#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 6.53 0.35 1.61 1.04 -1.26 -5.01 113.70 116.96 2kvc s SER 2 Ca 0.00 0.85 -0.13 0.00 0.48 0.00 0.00 55.95 57.16 2kvc s SER 2 Cb 0.00 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.50 2kvc s SER 2 CO 0.00 -1.26 0.73 -1.00 0.98 0.00 0.00 173.24 172.69 2kvc s HIS 3 N 4.81 3.41 0.12 5.02 3.76 -1.26 -4.91 115.29 126.24 2kvc s HIS 3 Ca 0.56 1.12 -0.23 0.00 -0.15 0.00 0.00 55.06 56.35 2kvc s HIS 3 Cb -0.13 -2.47 -0.07 0.00 1.11 0.00 0.00 32.58 31.02 2kvc s HIS 3 CO 0.29 0.03 1.68 0.52 -0.85 0.00 0.00 174.74 176.41 2kvc h MET 4 N 1.89 -0.21 -0.70 1.40 2.86 -1.98 0.26 114.93 118.44 2kvc h MET 4 Ca -0.48 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.15 2kvc h MET 4 Cb 1.18 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.85 2kvc h MET 4 CO 0.65 -0.14 0.32 -2.95 1.06 0.00 0.00 176.91 175.85 2kvc h ASN 5 N -0.22 0.92 -0.25 1.22 -1.07 -1.99 0.93 115.58 115.13 2kvc h ASN 5 Ca 0.05 -0.11 -0.18 0.00 0.07 0.00 0.00 56.30 56.13 2kvc h ASN 5 Cb 0.29 -0.24 -0.00 0.00 -2.07 0.00 0.00 38.32 36.30 2kvc h ASN 5 CO -0.15 0.79 -0.54 -0.09 0.07 0.00 0.00 177.43 177.52 2kvc h ARG 6 N 1.00 0.84 0.03 4.14 2.43 -1.82 -1.18 114.38 119.82 2kvc h ARG 6 Ca 0.24 -0.53 -0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2kvc h ARG 6 Cb 0.13 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2kvc h ARG 6 CO -0.03 1.16 -0.01 0.35 -1.51 0.00 0.00 179.97 179.93 2kvc h PHE 7 N 0.65 -0.04 -0.74 2.20 3.57 -0.03 -1.17 116.94 121.38 2kvc h PHE 7 Ca 0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2kvc h PHE 7 Cb 1.14 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 2kvc h PHE 7 CO 0.07 0.24 0.48 -0.07 -2.23 0.00 0.00 178.31 176.80 2kvc h LEU 8 N -0.32 0.86 -1.06 0.59 3.38 -0.84 -0.48 115.31 117.43 2kvc h LEU 8 Ca -0.00 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2kvc h LEU 8 Cb 0.30 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2kvc h LEU 8 CO 0.01 0.63 -0.04 0.74 0.09 0.00 0.00 178.44 179.88 2kvc h THR 9 N 1.00 1.23 -0.52 0.22 2.02 -1.17 0.39 112.91 116.08 2kvc h THR 9 Ca 0.27 -0.94 -0.09 0.00 0.77 0.00 0.00 66.41 66.42 2kvc h THR 9 Cb -0.09 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2kvc h THR 9 CO -0.06 0.32 -0.02 -1.28 0.37 0.00 0.00 175.52 174.85 2kvc h SER 10 N 0.59 0.87 -0.52 4.18 0.87 -0.39 -0.18 113.55 118.96 2kvc h SER 10 Ca 0.12 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.40 2kvc h SER 10 Cb 0.43 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 2kvc h SER 10 CO 0.02 0.94 0.15 0.40 -0.53 0.00 0.00 176.83 177.82 2kvc h ILE 11 N 0.82 1.23 -0.56 2.23 1.08 -0.42 -0.16 117.51 121.74 2kvc h ILE 11 Ca 0.15 -0.80 0.08 0.00 -0.39 0.00 0.00 64.86 63.90 2kvc h ILE 11 Cb 0.52 0.77 -0.06 0.00 -3.07 0.00 0.00 36.82 34.98 2kvc h ILE 11 CO 0.03 0.29 0.22 0.58 -0.69 0.00 0.00 178.15 178.58 2kvc h VAL 12 N 0.71 0.83 -0.54 1.67 2.07 -0.50 0.30 116.25 120.80 2kvc h VAL 12 Ca 0.17 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2kvc h VAL 12 Cb 0.29 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2kvc h VAL 12 CO -0.00 0.08 0.30 0.00 0.02 0.00 0.00 177.57 177.97 2kvc h ALA 13 N 1.36 0.69 -0.16 1.67 0.00 -0.69 -0.77 119.26 121.36 2kvc h ALA 13 Ca 0.27 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2kvc h ALA 13 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2kvc h ALA 13 CO -0.26 0.19 0.09 2.35 0.00 0.00 0.00 179.25 181.63 2kvc h TRP 14 N 0.72 0.21 -0.39 0.00 7.01 -0.25 0.28 115.95 123.53 2kvc h TRP 14 Ca 0.19 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 2kvc h TRP 14 Cb 0.03 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 2kvc h TRP 14 CO -0.02 0.18 0.21 -0.07 -2.79 0.00 0.00 178.44 175.95 2kvc h LEU 15 N 0.17 0.49 -0.79 0.65 3.38 -0.18 -0.06 115.31 118.97 2kvc h LEU 15 Ca 0.06 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 2kvc h LEU 15 Cb 0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2kvc h LEU 15 CO -0.01 0.45 -0.53 0.08 0.09 0.00 0.00 178.44 178.52 2kvc h ARG 16 N 0.49 0.19 -0.22 1.13 0.11 -1.08 -2.40 114.38 112.60 2kvc h ARG 16 Ca 0.14 -0.12 -0.07 0.00 0.10 0.00 0.00 59.98 60.03 2kvc h ARG 16 Cb 0.07 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.15 2kvc h ARG 16 CO -0.02 0.68 -0.17 0.00 0.10 0.00 0.00 179.97 180.56 2kvc h ALA 17 N 1.30 1.31 0.00 0.08 0.00 -0.46 -0.79 119.26 120.69 2kvc h ALA 17 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2kvc h ALA 17 Cb 0.99 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2kvc h ALA 17 CO 0.08 0.46 -0.12 0.78 0.00 0.00 0.00 179.25 180.45 2kvc h GLY 18 N 0.91 0.00 -5.91 0.00 0.00 -0.54 -3.36 103.07 94.17 2kvc h GLY 18 Ca 0.06 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.90 2kvc h GLY 18 CO 0.03 0.00 -0.94 -1.72 0.00 0.00 0.00 176.54 173.92 2kvc n TYR 19 N -3.29 -1.23 1.20 5.60 4.01 -0.53 -4.72 117.16 118.20 2kvc n TYR 19 Ca 0.00 -3.06 0.10 0.00 -0.16 0.00 0.00 57.90 54.78 2kvc n TYR 19 Cb 0.35 0.25 0.58 0.00 -0.31 0.00 0.00 39.34 40.21 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 2.04 0.57 -0.06 -0.72 -0.04 -0.42 -1.46 135.00 134.91 2kvc n PRO 20 Ca 0.22 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.79 2kvc n PRO 20 Cb 0.53 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.05 1.70 0.00 0.54 0.28 -1.26 -5.07 120.64 115.77 2kvc n GLU 21 Ca 0.14 -1.71 0.00 0.00 -0.16 0.00 0.00 57.16 55.43 2kvc n GLU 21 Cb 0.09 -1.35 0.00 0.00 1.43 0.00 0.00 31.44 31.60 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 1.01 1.39 3.58 -1.84 0.00 -0.54 -4.92 105.19 103.86 2kvc n GLY 22 Ca 0.12 -1.62 -0.42 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 -1.96 4.73 0.74 -0.61 1.09 -1.15 -4.85 121.20 119.20 2kvc s ILE 23 Ca 0.00 0.84 -0.13 0.00 -1.10 0.00 0.00 60.65 60.26 2kvc s ILE 23 Cb 0.00 -4.21 0.05 0.00 -1.06 0.00 0.00 42.46 37.23 2kvc s ILE 23 CO 0.00 -0.45 1.14 -2.84 -0.10 0.00 0.00 174.94 172.69 2kvc s PRO 24 N 3.10 2.22 0.25 2.79 0.02 -1.26 -2.08 135.00 140.04 2kvc s PRO 24 Ca 0.31 1.48 -0.06 0.00 0.02 0.00 0.00 61.00 62.75 2kvc s PRO 24 Cb -0.13 -1.87 0.25 0.00 0.02 0.00 0.00 34.50 32.77 2kvc s PRO 24 CO 0.17 -1.71 1.89 -1.00 -0.33 0.00 0.00 177.00 176.02 2kvc h PRO 25 N -0.60 1.27 0.11 5.54 0.13 -1.96 0.34 132.00 136.82 2kvc h PRO 25 Ca -0.46 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 64.55 2kvc h PRO 25 Cb 1.26 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2kvc h PRO 25 CO 0.50 0.89 -0.05 1.79 -0.23 0.00 0.00 178.00 180.90 2kvc h THR 26 N 1.28 0.98 0.00 1.56 1.35 -2.03 -2.81 112.91 113.24 2kvc h THR 26 Ca 0.33 -0.31 -0.04 0.00 -0.55 0.00 0.00 66.41 65.85 2kvc h THR 26 Cb -0.05 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.54 2kvc h THR 26 CO -0.06 0.07 -0.20 0.44 -0.25 0.00 0.00 175.52 175.53 2kvc h ASP 27 N -0.28 0.00 -0.41 5.36 5.19 -1.89 -2.67 116.42 121.72 2kvc h ASP 27 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2kvc h ASP 27 Cb 0.23 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.72 2kvc h ASP 27 CO 0.02 0.20 0.27 -1.28 -3.12 0.00 0.00 179.24 175.33 2kvc h SER 28 N 0.00 0.48 -0.48 6.45 0.87 -0.66 0.19 113.55 120.40 2kvc h SER 28 Ca -0.00 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.44 2kvc h SER 28 Cb 0.54 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2kvc h SER 28 CO 0.03 0.35 -0.10 -0.26 -0.53 0.00 0.00 176.83 176.31 2kvc h PHE 29 N 0.56 1.05 -0.27 2.24 -1.00 -1.47 0.13 116.94 118.18 2kvc h PHE 29 Ca 0.15 -0.20 -0.08 0.00 2.81 0.00 0.00 57.97 60.64 2kvc h PHE 29 Cb -0.06 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.23 2kvc h PHE 29 CO 0.00 0.98 -0.15 0.00 -1.61 0.00 0.00 178.31 177.53 2kvc h ALA 30 N 1.03 0.38 -0.96 2.45 0.00 -1.30 -0.78 119.26 120.08 2kvc h ALA 30 Ca 0.14 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.74 2kvc h ALA 30 Cb 0.64 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2kvc h ALA 30 CO 0.04 0.28 0.63 0.28 0.00 0.00 0.00 179.25 180.48 2kvc h VAL 31 N 0.31 1.20 -0.18 0.00 2.07 -0.56 -0.36 116.25 118.73 2kvc h VAL 31 Ca 0.06 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.17 2kvc h VAL 31 Cb 0.68 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2kvc h VAL 31 CO 0.04 0.23 0.05 0.25 0.02 0.00 0.00 177.57 178.16 2kvc h LEU 32 N 1.25 0.04 -1.24 2.57 5.85 -0.46 0.35 115.31 123.66 2kvc h LEU 32 Ca 0.37 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.14 2kvc h LEU 32 Cb -0.05 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2kvc h LEU 32 CO -0.10 0.05 0.52 0.00 -0.34 0.00 0.00 178.44 178.57 2kvc h ALA 33 N 1.12 1.50 0.11 1.25 0.00 -0.35 0.10 119.26 122.98 2kvc h ALA 33 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2kvc h ALA 33 Cb 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2kvc h ALA 33 CO -0.10 0.44 -0.05 1.25 0.00 0.00 0.00 179.25 180.79 2kvc h LEU 34 N 1.00 -0.12 -1.42 0.00 5.85 -0.57 -3.30 115.31 116.75 2kvc h LEU 34 Ca 0.31 -0.42 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 2kvc h LEU 34 Cb -0.01 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2kvc h LEU 34 CO -0.08 0.40 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.06 2kvc h LEU 35 N -0.70 0.00 -1.96 2.25 3.38 -0.10 -1.90 115.31 116.28 2kvc h LEU 35 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kvc h LEU 35 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2kvc h LEU 35 CO 0.02 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.84 2kvc n ARG 37 N -2.68 1.63 0.00 0.00 1.74 -0.71 -4.18 116.66 112.46 2kvc n ARG 37 Ca -0.01 -1.03 0.00 0.00 -0.77 0.00 0.00 57.85 56.04 2kvc n ARG 37 Cb 0.10 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 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 0.21 0.39 -4.16 5.56 3.00 0.17 -4.94 116.66 116.89 2kvc n ARG 38 Ca 0.17 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.90 2kvc n ARG 38 Cb 0.39 -0.92 -0.10 0.00 0.00 0.00 0.00 32.46 31.83 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 -4.55 2.45 0.80 6.15 1.43 0.16 -5.13 118.68 119.99 2kvc s LEU 39 Ca 0.00 -0.90 -0.05 0.00 -1.03 0.00 0.00 54.13 52.15 2kvc s LEU 39 Cb 0.00 -0.14 0.15 0.00 0.03 0.00 0.00 46.19 46.24 2kvc s LEU 39 CO 0.00 -0.38 1.10 -0.44 0.23 0.00 0.00 176.35 176.86 2kvc s SER 40 N -2.72 3.92 0.38 2.29 0.01 -1.26 -3.93 113.70 112.39 2kvc s SER 40 Ca 0.07 -0.21 0.05 0.00 1.31 0.00 0.00 55.95 57.18 2kvc s SER 40 Cb 0.01 -0.04 0.76 0.00 0.21 0.00 0.00 66.02 66.96 2kvc s SER 40 CO -0.03 -2.16 2.03 1.12 0.41 0.00 0.00 173.24 174.61 2kvc h HIS 41 N -0.89 0.65 -0.01 2.43 2.07 -1.95 -0.54 115.15 116.91 2kvc h HIS 41 Ca -0.38 0.02 -0.20 0.00 -2.85 0.00 0.00 60.37 56.95 2kvc h HIS 41 Cb 1.25 -0.22 -0.00 0.00 2.57 0.00 0.00 27.41 31.01 2kvc h HIS 41 CO -0.52 0.41 -0.87 -0.44 -3.07 0.00 0.00 177.93 173.43 2kvc h ASP 42 N 0.70 0.41 -0.16 3.10 3.32 -1.98 -0.10 116.42 121.71 2kvc h ASP 42 Ca 0.20 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 2kvc h ASP 42 Cb -0.04 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2kvc h ASP 42 CO -0.05 1.10 -0.01 -0.33 -1.72 0.00 0.00 179.24 178.24 2kvc h GLU 43 N 0.19 0.29 -0.15 3.56 3.07 -1.72 0.20 114.58 120.01 2kvc h GLU 43 Ca -0.05 -0.10 -0.09 0.00 -0.50 0.00 0.00 59.36 58.62 2kvc h GLU 43 Cb 1.48 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.36 2kvc h GLU 43 CO 0.14 0.52 -0.30 -0.39 -1.40 0.00 0.00 179.01 177.58 2kvc h VAL 44 N 0.03 1.27 -0.83 3.13 -1.51 -1.14 -0.19 116.25 117.00 2kvc h VAL 44 Ca 0.05 -1.27 0.02 0.00 -1.23 0.00 0.00 66.70 64.26 2kvc h VAL 44 Cb 0.39 1.48 -0.04 0.00 -2.13 0.00 0.00 31.29 30.99 2kvc h VAL 44 CO 0.01 0.39 0.55 0.50 -1.23 0.00 0.00 177.57 177.78 2kvc h LYS 45 N 0.26 1.07 -0.06 5.19 3.64 -0.84 0.14 116.57 125.98 2kvc h LYS 45 Ca 0.04 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2kvc h LYS 45 Cb 0.67 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2kvc h LYS 45 CO 0.05 0.71 0.00 0.00 -2.27 0.00 0.00 179.45 177.94 2kvc h ALA 46 N 1.32 0.08 -0.16 5.00 0.00 0.02 -1.80 119.26 123.72 2kvc h ALA 46 Ca 0.31 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2kvc h ALA 46 Cb -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2kvc h ALA 46 CO -0.08 -0.25 -0.44 -0.24 0.00 0.00 0.00 179.25 178.24 2kvc h VAL 47 N -0.17 1.32 -0.17 0.00 3.04 -0.94 0.86 116.25 120.18 2kvc h VAL 47 Ca 0.02 -1.61 -0.01 0.00 -1.01 0.00 0.00 66.70 64.09 2kvc h VAL 47 Cb 0.32 1.68 -0.01 0.00 -2.01 0.00 0.00 31.29 31.27 2kvc h VAL 47 CO 0.00 0.49 0.07 0.00 -1.01 0.00 0.00 177.57 177.12 2kvc h ALA 48 N 1.23 0.23 -0.28 3.17 0.00 -0.71 0.12 119.26 123.01 2kvc h ALA 48 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kvc h ALA 48 Cb 0.90 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2kvc h ALA 48 CO 0.07 -0.19 0.18 -0.97 0.00 0.00 0.00 179.25 178.35 2kvc h ASN 49 N 0.13 0.32 0.03 0.00 -1.24 -1.13 -0.39 115.58 113.31 2kvc h ASN 49 Ca 0.06 -0.02 0.03 0.00 0.71 0.00 0.00 56.30 57.08 2kvc h ASN 49 Cb 0.16 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.09 2kvc h ASN 49 CO -0.01 0.25 -0.23 -0.08 -1.29 0.00 0.00 177.43 176.07 2kvc h GLU 50 N 0.37 -0.36 -0.65 6.67 4.57 -0.63 -2.30 114.58 122.26 2kvc h GLU 50 Ca 0.10 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.25 2kvc h GLU 50 Cb -0.03 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 2kvc h GLU 50 CO -0.02 -0.24 0.18 1.25 -1.18 0.00 0.00 179.01 179.00 2kvc h LEU 51 N -0.38 0.96 -1.67 1.64 7.12 -0.61 -2.41 115.31 119.96 2kvc h LEU 51 Ca 0.05 -0.22 -0.02 0.00 0.13 0.00 0.00 57.88 57.82 2kvc h LEU 51 Cb 0.44 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 2kvc h LEU 51 CO -0.19 0.93 -0.03 0.24 -0.13 0.00 0.00 178.44 179.26 2kvc h MET 52 N 0.95 0.17 0.00 1.25 2.86 -0.86 -1.12 114.93 118.17 2kvc h MET 52 Ca 0.21 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2kvc h MET 52 Cb 0.32 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2kvc h MET 52 CO -0.00 0.22 0.00 0.00 1.06 0.00 0.00 176.91 178.18 2kvc h ARG 53 N 0.17 0.00 0.00 1.72 2.47 -0.89 -1.07 114.38 116.78 2kvc h ARG 53 Ca 0.04 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.67 2kvc h ARG 53 Cb 0.17 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 2kvc h ARG 53 CO 0.01 0.00 -0.53 -0.07 0.56 0.00 0.00 179.97 179.94 2kvc h LEU 54 N 0.00 0.00 0.00 3.04 -0.00 -1.23 -3.48 115.31 113.65 2kvc h LEU 54 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kvc h LEU 54 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 2kvc h LEU 54 CO 0.00 0.41 0.00 0.61 -0.00 0.00 0.00 178.44 179.46 2kvc n GLY 55 N 1.22 0.54 1.75 0.83 0.00 -0.41 -4.95 105.19 104.17 2kvc n GLY 55 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 2kvc n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kvc n ASP 56 N 0.00 5.93 -4.04 1.61 8.00 -1.25 -4.81 116.55 121.98 2kvc n ASP 56 Ca 0.00 -2.85 -0.08 0.00 0.71 0.00 0.00 54.79 52.57 2kvc n ASP 56 Cb 0.00 -1.04 -0.10 0.00 -0.02 0.00 0.00 41.12 39.95 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 -1.28 0.40 -0.05 1.24 2.19 -1.26 -2.93 117.98 116.29 2kvc s PHE 57 Ca 0.22 -0.84 0.31 0.00 0.33 0.00 0.00 56.93 56.95 2kvc s PHE 57 Cb 0.17 -0.30 1.32 0.00 -1.31 0.00 0.00 43.02 42.90 2kvc s PHE 57 CO -0.00 -0.32 1.92 0.22 1.83 0.00 0.00 175.22 178.87 2kvc h ASP 58 N 3.70 0.00 -4.78 6.13 1.82 -1.73 -3.45 116.42 118.11 2kvc h ASP 58 Ca -0.33 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.31 2kvc h ASP 58 Cb 1.17 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.14 2kvc h ASP 58 CO 0.56 0.00 -1.00 0.00 -1.61 0.00 0.00 179.24 177.19 2kvc n GLN 59 N -2.79 -3.28 -4.17 0.28 6.02 -1.26 -5.03 117.38 107.15 2kvc n GLN 59 Ca 0.01 2.64 -0.23 0.00 -0.01 0.00 0.00 57.00 59.40 2kvc n GLN 59 Cb 0.25 -4.68 -0.06 0.00 1.02 0.00 0.00 30.24 26.77 2kvc n GLN 59 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2kvc n ILE 60 N 0.85 0.00 -2.56 5.09 -5.35 -1.26 -5.07 119.36 111.05 2kvc n ILE 60 Ca -0.11 -2.13 -0.41 0.00 -0.27 0.00 0.00 62.75 59.83 2kvc n ILE 60 Cb 0.16 0.73 -0.03 0.00 -1.74 0.00 0.00 39.64 38.77 2kvc n ILE 60 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2kvc s ASP 61 N -3.27 6.29 0.20 7.28 1.01 -1.26 -4.86 116.67 122.06 2kvc s ASP 61 Ca 0.17 -0.85 -0.08 0.00 0.71 0.00 0.00 52.55 52.50 2kvc s ASP 61 Cb 0.01 -2.56 0.12 0.00 1.01 0.00 0.00 42.92 41.49 2kvc s ASP 61 CO 0.12 -1.70 1.67 0.40 0.21 0.00 0.00 175.17 175.86 2kvc h ILE 62 N 6.32 1.26 -0.14 0.77 1.08 -1.99 -2.59 117.51 122.22 2kvc h ILE 62 Ca -0.09 -1.12 0.01 0.00 -0.39 0.00 0.00 64.86 63.26 2kvc h ILE 62 Cb 1.03 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.55 2kvc h ILE 62 CO 1.34 0.41 0.09 1.23 -0.69 0.00 0.00 178.15 180.52 2kvc h GLY 63 N 1.01 0.17 1.59 5.37 0.00 -1.99 0.31 103.07 109.54 2kvc h GLY 63 Ca 0.18 -0.06 -0.19 0.00 0.00 0.00 0.00 47.33 47.25 2kvc h GLY 63 CO 0.03 0.06 -0.79 -2.08 0.00 0.00 0.00 176.54 173.76 2kvc h VAL 64 N 0.17 1.39 0.00 4.60 2.07 -1.85 -3.21 116.25 119.41 2kvc h VAL 64 Ca 0.05 -2.25 -0.07 0.00 0.82 0.00 0.00 66.70 65.25 2kvc h VAL 64 Cb 0.01 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2kvc h VAL 64 CO -0.01 0.67 -0.53 0.58 0.02 0.00 0.00 177.57 178.30 2kvc h VAL 65 N 0.25 0.66 0.09 2.57 2.07 -1.05 -3.33 116.25 117.51 2kvc h VAL 65 Ca -0.04 -1.65 -0.13 0.00 0.82 0.00 0.00 66.70 65.69 2kvc h VAL 65 Cb 1.38 1.41 0.01 0.00 -1.52 0.00 0.00 31.29 32.57 2kvc h VAL 65 CO 0.13 0.23 -0.61 0.16 0.02 0.00 0.00 177.57 177.50 2kvc h ILE 66 N -1.00 1.55 -0.43 4.57 3.07 -1.16 -3.32 117.51 120.80 2kvc h ILE 66 Ca -0.11 -2.46 0.00 0.00 1.55 0.00 0.00 64.86 63.84 2kvc h ILE 66 Cb 0.76 3.20 0.00 0.00 -0.27 0.00 0.00 36.82 40.51 2kvc h ILE 66 CO -0.07 0.67 0.00 0.35 -1.05 0.00 0.00 178.15 178.05 2kvc n THR 67 N -4.28 0.95 -3.15 0.16 -2.24 -1.21 -4.26 114.28 100.25 2kvc n THR 67 Ca -0.14 -0.69 -0.22 0.00 -2.27 0.00 0.00 64.05 60.72 2kvc n THR 67 Cb 0.71 0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.98 2kvc n THR 67 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2kvc n HIS 68 N 0.70 -0.73 -1.90 4.78 -0.00 -1.24 -4.99 115.22 111.84 2kvc n HIS 68 Ca 0.16 -3.34 -0.40 0.00 -0.00 0.00 0.00 57.72 54.13 2kvc n HIS 68 Cb 0.53 -0.10 -0.00 0.00 -0.00 0.00 0.00 29.99 30.41 2kvc n HIS 68 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2kvc s PHE 69 N -0.90 2.67 0.29 1.57 0.08 -1.26 -4.69 117.98 115.75 2kvc s PHE 69 Ca 0.35 1.27 0.08 0.00 0.12 0.00 0.00 56.93 58.75 2kvc s PHE 69 Cb 0.17 -3.88 -0.04 0.00 -0.57 0.00 0.00 43.02 38.70 2kvc s PHE 69 CO -0.13 -2.64 0.14 0.99 -0.10 0.00 0.00 175.22 173.48 2kvc s THR 70 N -1.17 3.63 -0.38 0.64 2.01 -1.26 -5.03 115.64 114.09 2kvc s THR 70 Ca 0.55 -1.63 0.26 0.00 0.31 0.00 0.00 61.69 61.18 2kvc s THR 70 Cb -0.43 -3.09 0.34 0.00 0.01 0.00 0.00 72.50 69.32 2kvc s THR 70 CO 0.57 -0.29 1.72 -2.24 -0.69 0.00 0.00 174.62 173.69 2kvc h ASP 71 N 1.59 0.00 0.13 3.53 2.03 -2.02 -3.28 116.42 118.40 2kvc h ASP 71 Ca -0.45 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 55.57 2kvc h ASP 71 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2kvc h ASP 71 CO 0.61 0.00 -1.42 -0.33 -1.03 0.00 0.00 179.24 177.07 2kvc h GLU 72 N 0.00 0.27 -6.22 4.15 5.08 -2.03 -3.48 114.58 112.36 2kvc h GLU 72 Ca 0.00 -0.47 -0.48 0.00 -1.00 0.00 0.00 59.36 57.41 2kvc h GLU 72 Cb 0.83 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 2kvc h GLU 72 CO 0.00 1.22 -0.44 -0.48 -1.00 0.00 0.00 179.01 178.32 2kvc s LEU 73 N -7.54 3.74 0.73 1.33 0.05 -1.24 -4.58 118.68 111.17 2kvc s LEU 73 Ca -0.19 -0.37 -0.09 0.00 0.05 0.00 0.00 54.13 53.53 2kvc s LEU 73 Cb 0.04 -2.37 0.05 0.00 -2.05 0.00 0.00 46.19 41.86 2kvc s LEU 73 CO 0.79 -0.31 1.08 -2.16 -0.55 0.00 0.00 176.35 175.19 2kvc s PRO 74 N -4.01 2.34 -0.20 1.48 0.04 -1.26 -4.21 135.00 129.18 2kvc s PRO 74 Ca 0.40 0.06 -0.27 0.00 0.04 0.00 0.00 61.00 61.23 2kvc s PRO 74 Cb -0.07 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 32.40 2kvc s PRO 74 CO 0.27 -1.26 0.94 -1.54 0.04 0.00 0.00 177.00 175.45 2kvc s SER 75 N -4.48 7.02 0.47 6.66 1.04 -1.26 -4.93 113.70 118.22 2kvc s SER 75 Ca 0.60 1.27 0.18 0.00 0.48 0.00 0.00 55.95 58.48 2kvc s SER 75 Cb -0.11 -2.50 1.18 0.00 0.10 0.00 0.00 66.02 64.69 2kvc s SER 75 CO 0.48 -0.54 2.00 -0.65 0.98 0.00 0.00 173.24 175.50 2kvc h PRO 76 N 7.43 0.23 -0.08 4.02 0.11 -1.98 -0.36 132.00 141.36 2kvc h PRO 76 Ca -0.24 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 2kvc h PRO 76 Cb 1.10 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2kvc h PRO 76 CO 0.90 0.15 0.05 0.93 -0.21 0.00 0.00 178.00 179.82 2kvc h GLU 77 N 0.23 0.12 -0.28 1.05 5.08 -1.99 -0.43 114.58 118.35 2kvc h GLU 77 Ca 0.25 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.52 2kvc h GLU 77 Cb 0.68 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2kvc h GLU 77 CO -0.05 0.16 -0.17 -0.44 -1.00 0.00 0.00 179.01 177.51 2kvc h ASP 78 N 0.04 0.49 -0.24 1.42 5.19 -1.65 -0.43 116.42 121.25 2kvc h ASP 78 Ca 0.03 -0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.29 2kvc h ASP 78 Cb 0.07 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 2kvc h ASP 78 CO -0.00 0.68 0.14 0.58 -3.12 0.00 0.00 179.24 177.52 2kvc h VAL 79 N 0.46 1.09 -0.13 -1.35 2.07 -0.72 0.31 116.25 117.98 2kvc h VAL 79 Ca 0.08 -0.22 -0.13 0.00 0.82 0.00 0.00 66.70 67.25 2kvc h VAL 79 Cb 0.56 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2kvc h VAL 79 CO 0.04 0.09 -0.47 -0.08 0.02 0.00 0.00 177.57 177.17 2kvc h GLU 80 N 0.29 0.33 0.10 1.57 4.81 -0.89 -0.12 114.58 120.68 2kvc h GLU 80 Ca 0.08 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2kvc h GLU 80 Cb 0.02 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2kvc h GLU 80 CO -0.02 0.74 -0.05 -0.09 -0.73 0.00 0.00 179.01 178.86 2kvc h ARG 81 N 0.27 -0.13 -0.08 1.92 2.43 -0.69 -0.78 114.38 117.32 2kvc h ARG 81 Ca 0.02 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 2kvc h ARG 81 Cb 0.93 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 2kvc h ARG 81 CO 0.08 0.05 -0.24 -0.24 -1.51 0.00 0.00 179.97 178.11 2kvc h VAL 82 N -0.29 1.21 -0.05 0.20 3.04 -0.31 0.15 116.25 120.21 2kvc h VAL 82 Ca -0.01 -1.00 0.01 0.00 -1.01 0.00 0.00 66.70 64.69 2kvc h VAL 82 Cb 0.24 1.43 -0.01 0.00 -2.01 0.00 0.00 31.29 30.94 2kvc h VAL 82 CO 0.02 0.30 -0.03 -0.09 -1.01 0.00 0.00 177.57 176.77 2kvc h ARG 83 N 0.13 -0.02 -0.54 4.17 1.12 -0.75 0.11 114.38 118.60 2kvc h ARG 83 Ca 0.02 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.79 2kvc h ARG 83 Cb 0.51 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.45 2kvc h ARG 83 CO 0.04 -0.02 -0.07 0.00 -3.11 0.00 0.00 179.97 176.81 2kvc h ALA 84 N 1.02 0.84 -0.58 2.80 0.00 -0.61 0.31 119.26 123.05 2kvc h ALA 84 Ca 0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2kvc h ALA 84 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2kvc h ALA 84 CO -0.06 0.66 0.21 -0.09 0.00 0.00 0.00 179.25 179.97 2kvc h ARG 85 N 0.89 0.87 -0.11 0.00 1.12 -0.74 -2.55 114.38 113.86 2kvc h ARG 85 Ca 0.15 -0.17 -0.23 0.00 -1.11 0.00 0.00 59.98 58.62 2kvc h ARG 85 Cb 0.62 -0.14 0.01 0.00 -0.01 0.00 0.00 29.97 30.46 2kvc h ARG 85 CO 0.04 0.77 -0.83 -0.07 -3.11 0.00 0.00 179.97 176.76 2kvc h LEU 86 N 0.80 0.90 -2.50 3.80 -0.00 -0.68 -3.22 115.31 114.41 2kvc h LEU 86 Ca 0.19 -0.62 -0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2kvc h LEU 86 Cb 0.23 -0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 40.63 2kvc h LEU 86 CO -0.01 1.41 -0.01 0.00 -0.00 0.00 0.00 178.44 179.83 2kvc h ALA 87 N 0.56 1.42 -0.03 1.53 0.00 -0.75 -1.26 119.26 120.74 2kvc h ALA 87 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kvc h ALA 87 Cb 1.46 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 2kvc h ALA 87 CO 0.17 0.01 0.01 0.00 0.00 0.00 0.00 179.25 179.44 2kvc h ALA 88 N 1.99 1.96 -0.55 0.00 0.00 -1.47 -0.59 119.26 120.60 2kvc h ALA 88 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kvc h ALA 88 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kvc h ALA 88 CO 0.00 0.04 0.00 1.04 0.00 0.00 0.00 179.25 180.33 2kvc n GLN 89 N -4.52 2.61 0.00 0.00 3.00 -0.48 -5.05 117.38 112.94 2kvc n GLN 89 Ca -0.02 -2.46 0.00 0.00 -0.01 0.00 0.00 57.00 54.51 2kvc n GLN 89 Cb 0.10 -1.53 0.00 0.00 0.00 0.00 0.00 30.24 28.81 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 1.54 2.84 2.84 1.08 0.00 -0.23 -5.04 105.19 108.22 2kvc n GLY 90 Ca 0.22 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.24 -0.61 -2.05 1.61 -0.11 -1.26 -3.62 118.94 110.66 2kvc s TRP 91 Ca 0.00 -0.43 0.14 0.00 1.22 0.00 0.00 56.10 57.03 2kvc s TRP 91 Cb 0.00 -0.28 0.69 0.00 -1.50 0.00 0.00 33.47 32.38 2kvc s TRP 91 CO 0.00 -0.99 1.47 -0.35 -4.62 0.00 0.00 176.95 172.45 2kvc n PRO 92 N 4.57 1.23 -3.02 5.86 -0.04 -1.26 -4.58 135.00 137.74 2kvc n PRO 92 Ca 0.08 -0.34 -0.44 0.00 -0.04 0.00 0.00 63.50 62.75 2kvc n PRO 92 Cb 0.47 -1.24 -0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2kvc n PRO 92 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kvc s LEU 93 N -1.38 5.31 -0.00 1.53 1.43 -1.26 -4.56 118.68 119.74 2kvc s LEU 93 Ca 0.22 -3.06 0.05 0.00 -1.03 0.00 0.00 54.13 50.32 2kvc s LEU 93 Cb 0.11 -2.36 0.15 0.00 0.03 0.00 0.00 46.19 44.11 2kvc s LEU 93 CO 0.17 -0.67 1.12 -0.90 0.23 0.00 0.00 176.35 176.30 2kvc n ASP 94 N 5.13 2.46 -4.78 2.29 5.68 -1.26 -5.03 116.55 121.03 2kvc n ASP 94 Ca 0.33 -2.03 -0.29 0.00 -0.50 0.00 0.00 54.79 52.30 2kvc n ASP 94 Cb 0.42 -0.12 0.13 0.00 -1.14 0.00 0.00 41.12 40.41 2kvc n ASP 94 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2kvc s ASP 95 N -1.04 3.70 -0.03 -1.12 -1.08 -1.26 -5.07 116.67 110.77 2kvc s ASP 95 Ca 0.12 1.09 0.01 0.00 -0.52 0.00 0.00 52.55 53.25 2kvc s ASP 95 Cb 0.06 -1.72 0.02 0.00 -1.46 0.00 0.00 42.92 39.82 2kvc s ASP 95 CO 0.07 -2.45 -0.02 0.54 0.52 0.00 0.00 175.17 173.84 2kvc s VAL 96 N -3.21 0.28 -1.35 1.11 0.11 -1.26 -5.00 120.40 111.08 2kvc s VAL 96 Ca 0.63 -0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.70 2kvc s VAL 96 Cb -0.15 -0.33 0.14 0.00 -1.53 0.00 0.00 36.38 34.51 2kvc s VAL 96 CO 0.54 0.15 0.89 -2.11 -3.33 0.00 0.00 175.10 171.24 2kvc n ARG 97 N 3.87 1.55 -1.83 1.54 -4.01 -1.26 -4.70 116.66 111.82 2kvc n ARG 97 Ca -0.24 -0.55 -0.40 0.00 -1.04 0.00 0.00 57.85 55.62 2kvc n ARG 97 Cb 0.52 -1.41 -0.03 0.00 -3.04 0.00 0.00 32.46 28.50 2kvc n ARG 97 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 2kvc n ASP 98 N 0.03 3.61 -0.40 2.89 -0.08 -1.26 -3.89 116.55 117.44 2kvc n ASP 98 Ca 0.05 -2.79 0.00 0.00 -1.51 0.00 0.00 54.79 50.54 2kvc n ASP 98 Cb 0.29 -1.55 0.00 0.00 2.34 0.00 0.00 41.12 42.21 2kvc n ASP 98 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2kvc n ARG 99 N 7.28 0.00 -3.28 -0.67 0.63 -1.26 -5.04 116.66 114.31 2kvc n ARG 99 Ca 0.49 -0.70 -0.46 0.00 -0.92 0.00 0.00 57.85 56.25 2kvc n ARG 99 Cb 0.42 -0.39 -0.03 0.00 0.45 0.00 0.00 32.46 32.91 2kvc n ARG 99 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2kvc s GLU 100 N 0.00 3.47 -1.41 -0.14 2.02 -1.25 -4.94 118.70 116.45 2kvc s GLU 100 Ca 0.00 -2.22 -0.15 0.00 0.02 0.00 0.00 54.97 52.62 2kvc s GLU 100 Cb 0.00 -4.44 0.06 0.00 0.10 0.00 0.00 34.13 29.85 2kvc s GLU 100 CO 0.00 -1.35 2.10 0.39 0.02 0.00 0.00 175.26 176.42 2kvc n GLU 101 N 4.51 2.98 -3.89 1.61 -0.58 -1.26 -4.85 120.64 119.16 2kvc n GLU 101 Ca 0.09 -2.81 -0.30 0.00 -0.42 0.00 0.00 57.16 53.71 2kvc n GLU 101 Cb 0.46 -3.31 -0.15 0.00 -0.57 0.00 0.00 31.44 27.88 2kvc n GLU 101 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2kvc s HIS 102 N 3.21 2.89 -0.88 -0.32 2.46 -1.26 -5.33 115.29 116.06 2kvc s HIS 102 Ca 0.48 -2.61 0.07 0.00 0.47 0.00 0.00 55.06 53.47 2kvc s HIS 102 Cb 0.11 -2.45 0.06 0.00 -0.13 0.00 0.00 32.58 30.17 2kvc s HIS 102 CO -0.05 -0.88 0.72 0.00 -2.47 0.00 0.00 174.74 172.06