#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvc s SER 2 N 0.00 2.70 0.01 1.61 0.01 -1.26 -5.12 113.70 111.66 2kvc s SER 2 Ca 0.00 -0.49 0.03 0.00 1.31 0.00 0.00 55.95 56.80 2kvc s SER 2 Cb 0.00 -1.19 -0.01 0.00 0.21 0.00 0.00 66.02 65.03 2kvc s SER 2 CO 0.00 -0.05 -0.11 -1.00 0.41 0.00 0.00 173.24 172.49 2kvc s HIS 3 N 1.48 0.94 0.38 2.43 3.76 -1.26 -5.05 115.29 117.97 2kvc s HIS 3 Ca 0.05 -0.25 0.07 0.00 -0.15 0.00 0.00 55.06 54.78 2kvc s HIS 3 Cb -0.13 -0.58 0.76 0.00 1.11 0.00 0.00 32.58 33.74 2kvc s HIS 3 CO -0.11 -0.01 1.94 0.52 -0.85 0.00 0.00 174.74 176.24 2kvc h MET 4 N 5.49 0.40 -0.93 1.40 2.86 -2.02 -2.90 114.93 119.22 2kvc h MET 4 Ca -0.33 -0.07 0.15 0.00 -2.06 0.00 0.00 59.70 57.38 2kvc h MET 4 Cb 1.18 -0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.70 2kvc h MET 4 CO 0.47 0.42 0.59 -0.97 1.06 0.00 0.00 176.91 178.48 2kvc h ASN 5 N 0.39 0.71 0.15 1.22 -0.73 -2.02 -1.69 115.58 113.61 2kvc h ASN 5 Ca 0.09 0.05 -0.12 0.00 1.87 0.00 0.00 56.30 58.19 2kvc h ASN 5 Cb 0.24 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 2kvc h ASN 5 CO 0.00 0.35 -0.41 0.03 -0.37 0.00 0.00 177.43 177.03 2kvc h ARG 6 N 0.74 0.34 -0.41 6.67 3.08 -1.96 -3.13 114.38 119.72 2kvc h ARG 6 Ca 0.47 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 2kvc h ARG 6 Cb 0.72 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 2kvc h ARG 6 CO -0.24 0.70 0.24 0.35 -1.07 0.00 0.00 179.97 179.95 2kvc h PHE 7 N 0.28 0.55 -0.09 3.04 3.57 -1.45 0.37 116.94 123.21 2kvc h PHE 7 Ca 0.03 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.54 2kvc h PHE 7 Cb 0.85 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 2kvc h PHE 7 CO 0.02 0.40 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.40 2kvc h LEU 8 N 0.54 -0.10 -1.00 0.59 4.07 -1.57 -0.91 115.31 116.93 2kvc h LEU 8 Ca 0.15 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.13 2kvc h LEU 8 Cb 0.02 0.06 -0.04 0.00 1.08 0.00 0.00 40.66 41.78 2kvc h LEU 8 CO -0.03 -0.04 0.50 0.74 -1.08 0.00 0.00 178.44 178.53 2kvc h THR 9 N -0.01 1.25 -0.68 0.22 2.02 -1.43 -0.90 112.91 113.38 2kvc h THR 9 Ca 0.05 -0.57 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 2kvc h THR 9 Cb 0.08 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.50 2kvc h THR 9 CO -0.10 0.27 0.21 -1.28 0.37 0.00 0.00 175.52 174.99 2kvc h SER 10 N 1.21 0.99 -0.39 4.18 0.87 -0.51 -0.77 113.55 119.12 2kvc h SER 10 Ca 0.31 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2kvc h SER 10 Cb -0.01 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 2kvc h SER 10 CO -0.05 0.93 0.21 0.40 -0.53 0.00 0.00 176.83 177.79 2kvc h ILE 11 N 0.99 1.15 -0.47 2.23 1.08 -0.57 -0.90 117.51 121.03 2kvc h ILE 11 Ca 0.22 -0.39 0.06 0.00 -0.39 0.00 0.00 64.86 64.36 2kvc h ILE 11 Cb 0.30 0.69 -0.05 0.00 -3.07 0.00 0.00 36.82 34.69 2kvc h ILE 11 CO -0.01 0.16 0.16 0.58 -0.69 0.00 0.00 178.15 178.35 2kvc h VAL 12 N 0.50 0.84 -0.57 1.67 2.07 -0.78 0.22 116.25 120.19 2kvc h VAL 12 Ca 0.14 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2kvc h VAL 12 Cb 0.06 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2kvc h VAL 12 CO -0.02 0.06 0.33 0.00 0.02 0.00 0.00 177.57 177.96 2kvc h ALA 13 N 1.31 0.73 -0.26 1.67 0.00 -0.90 -0.91 119.26 120.91 2kvc h ALA 13 Ca 0.22 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kvc h ALA 13 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2kvc h ALA 13 CO -0.23 0.23 0.15 2.35 0.00 0.00 0.00 179.25 181.75 2kvc h TRP 14 N 0.77 0.35 -0.19 0.00 7.01 -0.49 -0.35 115.95 123.06 2kvc h TRP 14 Ca 0.20 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.19 2kvc h TRP 14 Cb 0.02 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 26.95 2kvc h TRP 14 CO -0.02 0.28 0.09 -0.07 -2.79 0.00 0.00 178.44 175.93 2kvc h LEU 15 N 0.32 0.24 -0.75 0.65 3.38 -0.31 0.19 115.31 119.03 2kvc h LEU 15 Ca 0.09 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 2kvc h LEU 15 Cb 0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2kvc h LEU 15 CO -0.02 0.30 -0.23 0.08 0.09 0.00 0.00 178.44 178.67 2kvc h ARG 16 N 0.17 0.70 -0.15 1.13 0.11 -1.13 -2.06 114.38 113.15 2kvc h ARG 16 Ca 0.06 -0.28 -0.06 0.00 0.10 0.00 0.00 59.98 59.81 2kvc h ARG 16 Cb 0.13 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 2kvc h ARG 16 CO -0.01 0.87 -0.16 0.00 0.10 0.00 0.00 179.97 180.77 2kvc h ALA 17 N 1.13 1.45 0.00 0.08 0.00 -0.82 -1.43 119.26 119.68 2kvc h ALA 17 Ca 0.09 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2kvc h ALA 17 Cb 0.72 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2kvc h ALA 17 CO 0.06 0.38 -0.22 0.78 0.00 0.00 0.00 179.25 180.25 2kvc h GLY 18 N 0.80 0.00 -6.57 0.00 0.00 -0.26 -3.36 103.07 93.69 2kvc h GLY 18 Ca 0.05 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.78 2kvc h GLY 18 CO 0.03 0.00 -0.87 -0.19 0.00 0.00 0.00 176.54 175.50 2kvc s TYR 19 N -4.43 1.57 -2.00 5.60 2.02 -0.55 -4.71 117.35 114.85 2kvc s TYR 19 Ca -0.03 -2.45 0.12 0.00 -0.37 0.00 0.00 57.07 54.33 2kvc s TYR 19 Cb 0.15 -1.32 0.69 0.00 -0.40 0.00 0.00 41.96 41.08 2kvc s TYR 19 CO 0.68 -0.77 1.25 -0.35 -1.57 0.00 0.00 175.55 174.78 2kvc n PRO 20 N 2.86 0.74 -0.02 -1.71 -0.04 -1.13 -2.03 135.00 133.67 2kvc n PRO 20 Ca 0.25 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.74 2kvc n PRO 20 Cb 0.43 -1.24 0.04 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.74 0.42 0.00 0.54 0.28 -1.26 -5.09 120.64 114.79 2kvc n GLU 21 Ca 0.09 -1.05 0.00 0.00 -0.16 0.00 0.00 57.16 56.03 2kvc n GLU 21 Cb 0.04 -1.13 0.00 0.00 1.43 0.00 0.00 31.44 31.78 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 0.33 -0.43 3.65 -1.84 0.00 -0.86 -4.94 105.19 101.10 2kvc n GLY 22 Ca 0.04 -1.31 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.11 4.16 0.83 -0.61 1.01 0.12 -4.90 121.20 120.71 2kvc s ILE 23 Ca 0.00 1.38 -0.12 0.00 0.00 0.00 0.00 60.65 61.92 2kvc s ILE 23 Cb 0.00 -3.94 0.09 0.00 0.01 0.00 0.00 42.46 38.62 2kvc s ILE 23 CO 0.00 -0.18 1.11 -2.16 0.00 0.00 0.00 174.94 173.71 2kvc s PRO 24 N 3.71 1.80 -0.02 2.79 0.04 -1.26 -0.96 135.00 141.09 2kvc s PRO 24 Ca 0.58 0.55 0.01 0.00 0.04 0.00 0.00 61.00 62.17 2kvc s PRO 24 Cb -0.22 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.47 2kvc s PRO 24 CO 0.18 -1.80 0.75 -0.35 0.04 0.00 0.00 177.00 175.83 2kvc n PRO 25 N -3.54 1.18 0.00 0.56 -0.04 -1.26 -3.54 135.00 128.37 2kvc n PRO 25 Ca 0.07 -0.19 0.02 0.00 -0.04 0.00 0.00 63.50 63.36 2kvc n PRO 25 Cb 0.57 -1.37 -0.01 0.00 -0.04 0.00 0.00 33.50 32.65 2kvc n PRO 25 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2kvc n THR 26 N 0.17 0.00 -0.29 0.52 5.66 -1.26 -4.63 114.28 114.45 2kvc n THR 26 Ca 0.02 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.60 2kvc n THR 26 Cb 0.41 1.03 0.00 0.00 -1.55 0.00 0.00 70.33 70.22 2kvc n THR 26 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2kvc n ASP 27 N -0.66 0.30 -0.13 1.09 5.75 -1.23 -4.81 116.55 116.86 2kvc n ASP 27 Ca 0.02 -0.70 0.00 0.00 -0.01 0.00 0.00 54.79 54.10 2kvc n ASP 27 Cb 0.09 0.20 0.28 0.00 -1.03 0.00 0.00 41.12 40.66 2kvc n ASP 27 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2kvc h SER 28 N 0.00 0.73 -0.25 -1.12 4.64 -1.82 0.29 113.55 116.01 2kvc h SER 28 Ca 0.00 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.16 2kvc h SER 28 Cb 0.15 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2kvc h SER 28 CO 0.00 0.59 -0.22 -0.26 -0.87 0.00 0.00 176.83 176.07 2kvc h PHE 29 N 0.82 0.81 -0.35 4.77 -1.00 -1.90 -1.20 116.94 118.89 2kvc h PHE 29 Ca 0.21 -0.18 -0.05 0.00 2.81 0.00 0.00 57.97 60.76 2kvc h PHE 29 Cb 0.03 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.38 2kvc h PHE 29 CO 0.01 0.87 0.02 0.00 -1.61 0.00 0.00 178.31 177.59 2kvc h ALA 30 N 1.13 0.47 -0.14 2.45 0.00 -1.57 0.25 119.26 121.85 2kvc h ALA 30 Ca 0.09 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.82 2kvc h ALA 30 Cb 0.71 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2kvc h ALA 30 CO 0.05 0.21 -0.27 0.28 0.00 0.00 0.00 179.25 179.52 2kvc h VAL 31 N 0.42 0.36 -0.13 0.00 2.07 -0.67 0.69 116.25 119.00 2kvc h VAL 31 Ca 0.10 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.57 2kvc h VAL 31 Cb 0.42 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2kvc h VAL 31 CO 0.01 0.00 -0.16 0.17 0.02 0.00 0.00 177.57 177.62 2kvc h LEU 32 N -0.34 0.19 -0.00 2.57 8.10 -1.13 0.61 115.31 125.30 2kvc h LEU 32 Ca 0.10 -0.04 -0.00 0.00 0.11 0.00 0.00 57.88 58.05 2kvc h LEU 32 Cb 0.50 -0.05 -0.00 0.00 -0.44 0.00 0.00 40.66 40.66 2kvc h LEU 32 CO -0.33 0.38 0.00 0.00 -4.11 0.00 0.00 178.44 174.38 2kvc h ALA 33 N 1.65 0.00 -0.43 0.17 0.00 0.05 0.21 119.26 120.92 2kvc h ALA 33 Ca 0.04 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2kvc h ALA 33 Cb 0.40 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2kvc h ALA 33 CO 0.03 -0.40 -0.07 -0.07 0.00 0.00 0.00 179.25 178.74 2kvc h LEU 34 N -0.19 0.80 -1.02 0.00 -0.00 -0.56 -2.94 115.31 111.40 2kvc h LEU 34 Ca 0.00 -0.34 -0.10 0.00 -0.00 0.00 0.00 57.88 57.44 2kvc h LEU 34 Cb 0.20 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 2kvc h LEU 34 CO -0.00 0.96 -0.38 -0.07 -0.00 0.00 0.00 178.44 178.95 2kvc h LEU 35 N 0.64 0.21 -2.23 1.67 3.38 -0.86 -2.90 115.31 115.21 2kvc h LEU 35 Ca 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2kvc h LEU 35 Cb 0.59 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2kvc h LEU 35 CO 0.04 0.58 -0.06 0.00 0.09 0.00 0.00 178.44 179.09 2kvc h ARG 37 N 0.00 0.00 0.01 0.00 3.08 -1.52 -3.35 114.38 112.59 2kvc h ARG 37 Ca -0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.66 2kvc h ARG 37 Cb 0.18 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.17 2kvc h ARG 37 CO 0.01 0.00 -2.14 -2.13 -1.07 0.00 0.00 179.97 174.64 2kvc n ARG 38 N -2.53 0.60 -4.24 0.04 3.00 0.12 -5.02 116.66 108.64 2kvc n ARG 38 Ca 0.04 0.35 -0.14 0.00 -0.00 0.00 0.00 57.85 58.09 2kvc n ARG 38 Cb 0.48 -1.58 -0.10 0.00 0.00 0.00 0.00 32.46 31.25 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 -7.51 2.51 0.82 6.15 1.43 0.22 -5.12 118.68 117.18 2kvc s LEU 39 Ca -0.35 -0.99 -0.07 0.00 -1.03 0.00 0.00 54.13 51.70 2kvc s LEU 39 Cb 0.11 -0.35 0.16 0.00 0.03 0.00 0.00 46.19 46.14 2kvc s LEU 39 CO 0.54 -0.32 1.13 -0.55 0.23 0.00 0.00 176.35 177.38 2kvc s SER 40 N -3.07 3.83 0.44 2.29 0.15 -1.26 -3.64 113.70 112.44 2kvc s SER 40 Ca 0.15 -0.15 0.17 0.00 0.70 0.00 0.00 55.95 56.83 2kvc s SER 40 Cb 0.02 -0.08 1.11 0.00 -1.71 0.00 0.00 66.02 65.36 2kvc s SER 40 CO 0.01 -2.23 1.94 1.12 1.20 0.00 0.00 173.24 175.27 2kvc h HIS 41 N -0.97 0.40 -0.21 3.44 2.07 -1.91 -0.70 115.15 117.27 2kvc h HIS 41 Ca -0.39 0.01 -0.18 0.00 -2.85 0.00 0.00 60.37 56.96 2kvc h HIS 41 Cb 1.25 -0.13 0.00 0.00 2.57 0.00 0.00 27.41 31.11 2kvc h HIS 41 CO -0.59 0.16 -0.59 0.22 -3.07 0.00 0.00 177.93 174.06 2kvc h ASP 42 N 0.35 0.88 -0.52 3.10 3.58 -1.93 -0.22 116.42 121.66 2kvc h ASP 42 Ca 0.35 -0.58 -0.06 0.00 0.42 0.00 0.00 57.03 57.16 2kvc h ASP 42 Cb 0.86 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 2kvc h ASP 42 CO -0.10 1.30 0.08 -0.33 -2.88 0.00 0.00 179.24 177.32 2kvc h GLU 43 N 0.50 0.86 -0.08 0.28 3.07 -1.55 -0.18 114.58 117.48 2kvc h GLU 43 Ca -0.01 -0.23 -0.13 0.00 -0.50 0.00 0.00 59.36 58.49 2kvc h GLU 43 Cb 1.20 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 2kvc h GLU 43 CO 0.13 0.85 -0.51 -0.39 -1.40 0.00 0.00 179.01 177.68 2kvc h VAL 44 N 0.75 1.35 -0.92 3.13 -1.51 -1.17 -0.08 116.25 117.79 2kvc h VAL 44 Ca 0.16 -1.77 -0.01 0.00 -1.23 0.00 0.00 66.70 63.85 2kvc h VAL 44 Cb 0.41 1.86 -0.04 0.00 -2.13 0.00 0.00 31.29 31.38 2kvc h VAL 44 CO 0.01 0.52 0.53 0.50 -1.23 0.00 0.00 177.57 177.90 2kvc h LYS 45 N 0.18 1.27 0.15 5.19 3.64 -0.72 -0.31 116.57 125.97 2kvc h LYS 45 Ca 0.01 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 2kvc h LYS 45 Cb 0.97 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2kvc h LYS 45 CO 0.08 0.91 -0.07 0.00 -2.27 0.00 0.00 179.45 178.10 2kvc h ALA 46 N 1.30 -0.20 -0.22 5.00 0.00 -0.48 -2.78 119.26 121.87 2kvc h ALA 46 Ca 0.33 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2kvc h ALA 46 Cb -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2kvc h ALA 46 CO -0.06 -0.42 -0.24 -0.24 0.00 0.00 0.00 179.25 178.29 2kvc h VAL 47 N -0.58 1.26 -0.29 0.00 3.04 -0.95 0.29 116.25 119.01 2kvc h VAL 47 Ca -0.02 -1.21 -0.03 0.00 -1.01 0.00 0.00 66.70 64.43 2kvc h VAL 47 Cb 0.45 1.35 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 2kvc h VAL 47 CO 0.03 0.38 0.04 0.00 -1.01 0.00 0.00 177.57 177.02 2kvc h ALA 48 N 1.38 0.38 -0.47 3.17 0.00 -1.12 0.14 119.26 122.73 2kvc h ALA 48 Ca 0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2kvc h ALA 48 Cb 0.63 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2kvc h ALA 48 CO 0.04 0.07 0.20 -0.97 0.00 0.00 0.00 179.25 178.59 2kvc h ASN 49 N 0.30 0.65 -0.28 0.00 -0.73 -1.18 -0.17 115.58 114.16 2kvc h ASN 49 Ca 0.09 -0.16 0.04 0.00 1.87 0.00 0.00 56.30 58.13 2kvc h ASN 49 Cb 0.34 -0.17 -0.04 0.00 0.27 0.00 0.00 38.32 38.73 2kvc h ASN 49 CO 0.01 0.63 0.05 -0.08 -0.37 0.00 0.00 177.43 177.67 2kvc h GLU 50 N 0.62 0.15 -0.73 6.67 4.57 -0.80 -1.64 114.58 123.42 2kvc h GLU 50 Ca 0.16 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.28 2kvc h GLU 50 Cb 0.18 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 2kvc h GLU 50 CO -0.01 0.10 0.25 1.25 -1.18 0.00 0.00 179.01 179.41 2kvc h LEU 51 N 0.15 1.05 -1.58 1.64 7.12 -0.43 -1.90 115.31 121.35 2kvc h LEU 51 Ca 0.13 -0.18 -0.03 0.00 0.13 0.00 0.00 57.88 57.92 2kvc h LEU 51 Cb 0.14 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 39.98 2kvc h LEU 51 CO -0.17 0.96 -0.09 0.24 -0.13 0.00 0.00 178.44 179.24 2kvc h MET 52 N 1.08 0.15 -0.12 1.25 2.86 -0.65 -1.56 114.93 117.94 2kvc h MET 52 Ca 0.24 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.89 2kvc h MET 52 Cb 0.28 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 2kvc h MET 52 CO -0.01 0.25 0.11 0.00 1.06 0.00 0.00 176.91 178.33 2kvc h ARG 53 N 0.15 0.00 0.00 1.72 2.47 -0.46 -0.05 114.38 118.21 2kvc h ARG 53 Ca 0.03 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 2kvc h ARG 53 Cb 0.26 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2kvc h ARG 53 CO 0.01 0.00 -0.04 1.25 0.56 0.00 0.00 179.97 181.75 2kvc h LEU 54 N 0.00 0.00 0.00 3.04 5.85 -1.30 -3.47 115.31 119.44 2kvc h LEU 54 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2kvc h LEU 54 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2kvc h LEU 54 CO -0.00 0.04 0.00 0.61 -0.34 0.00 0.00 178.44 178.75 2kvc n GLY 55 N 0.53 3.24 2.09 3.75 0.00 -0.03 -4.91 105.19 109.86 2kvc n GLY 55 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 0.06 6.16 -3.72 1.61 8.00 -1.26 -4.73 116.55 122.67 2kvc n ASP 56 Ca 0.00 -2.96 -0.13 0.00 0.71 0.00 0.00 54.79 52.41 2kvc n ASP 56 Cb 0.00 -1.19 -0.14 0.00 -0.02 0.00 0.00 41.12 39.77 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 -1.15 -0.27 0.28 1.24 2.19 -1.26 -0.70 117.98 118.31 2kvc s PHE 57 Ca 0.44 0.69 -0.30 0.00 0.33 0.00 0.00 56.93 58.09 2kvc s PHE 57 Cb 0.28 -0.03 -0.10 0.00 -1.31 0.00 0.00 43.02 41.86 2kvc s PHE 57 CO -0.08 -0.23 1.40 0.34 1.83 0.00 0.00 175.22 178.48 2kvc s ASP 58 N 1.44 6.68 -0.82 6.13 2.15 -0.13 -4.88 116.67 127.24 2kvc s ASP 58 Ca -0.07 2.68 -0.25 0.00 0.43 0.00 0.00 52.55 55.34 2kvc s ASP 58 Cb -0.11 -2.63 -0.03 0.00 -0.30 0.00 0.00 42.92 39.85 2kvc s ASP 58 CO -0.07 -0.66 1.85 -1.10 -0.17 0.00 0.00 175.17 175.02 2kvc s GLN 59 N -0.86 2.69 0.19 4.34 -0.21 -1.26 -4.89 119.66 119.66 2kvc s GLN 59 Ca 0.56 -0.09 0.04 0.00 0.02 0.00 0.00 55.36 55.89 2kvc s GLN 59 Cb -0.41 -4.85 -0.05 0.00 1.00 0.00 0.00 33.01 28.70 2kvc s GLN 59 CO 0.47 -3.04 -0.06 0.96 -2.12 0.00 0.00 175.29 171.50 2kvc s ILE 60 N 9.17 1.19 -0.91 1.08 -4.36 -1.26 -5.08 121.20 121.02 2kvc s ILE 60 Ca 0.66 -2.07 -0.23 0.00 -0.26 0.00 0.00 60.65 58.75 2kvc s ILE 60 Cb -0.08 -2.08 0.06 0.00 1.25 0.00 0.00 42.46 41.61 2kvc s ILE 60 CO 0.05 -0.55 1.31 -0.62 0.24 0.00 0.00 174.94 175.38 2kvc s ASP 61 N -3.25 6.42 0.15 4.36 -1.08 -1.26 -4.77 116.67 117.25 2kvc s ASP 61 Ca 0.22 -1.31 0.01 0.00 -0.52 0.00 0.00 52.55 50.95 2kvc s ASP 61 Cb 0.04 -2.52 -0.05 0.00 -1.46 0.00 0.00 42.92 38.93 2kvc s ASP 61 CO 0.05 -1.49 1.35 0.40 0.52 0.00 0.00 175.17 175.99 2kvc h ILE 62 N 6.39 1.48 -0.53 4.11 1.08 -1.98 -3.31 117.51 124.75 2kvc h ILE 62 Ca 0.05 -2.63 0.09 0.00 -0.39 0.00 0.00 64.86 61.97 2kvc h ILE 62 Cb 1.03 2.49 -0.07 0.00 -3.07 0.00 0.00 36.82 37.20 2kvc h ILE 62 CO 1.32 0.77 0.15 1.23 -0.69 0.00 0.00 178.15 180.93 2kvc h GLY 63 N 1.75 0.70 0.93 5.37 0.00 -1.97 -0.64 103.07 109.20 2kvc h GLY 63 Ca -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2kvc h GLY 63 CO 0.14 -0.04 0.10 -2.08 0.00 0.00 0.00 176.54 174.66 2kvc h VAL 64 N 0.31 1.13 -0.23 4.60 2.07 -1.96 -3.06 116.25 119.11 2kvc h VAL 64 Ca 0.27 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 2kvc h VAL 64 Cb 0.34 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2kvc h VAL 64 CO -0.31 0.12 -0.00 0.58 0.02 0.00 0.00 177.57 177.98 2kvc h VAL 65 N 0.19 1.26 0.00 2.57 2.07 -1.43 0.78 116.25 121.69 2kvc h VAL 65 Ca 0.07 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2kvc h VAL 65 Cb 0.10 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2kvc h VAL 65 CO -0.01 0.28 0.00 2.30 0.02 0.00 0.00 177.57 180.16 2kvc n ILE 66 N -4.66 0.12 -0.01 4.57 -6.64 -0.33 -2.50 119.36 109.91 2kvc n ILE 66 Ca -0.04 0.03 0.08 0.00 -1.77 0.00 0.00 62.75 61.05 2kvc n ILE 66 Cb 0.24 -0.56 -0.12 0.00 -1.44 0.00 0.00 39.64 37.75 2kvc n ILE 66 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 2kvc n THR 67 N -1.47 0.02 -3.48 7.28 -2.24 -1.15 -4.78 114.28 108.47 2kvc n THR 67 Ca 0.07 -0.37 -0.29 0.00 -2.27 0.00 0.00 64.05 61.19 2kvc n THR 67 Cb 0.31 0.12 -0.12 0.00 -2.10 0.00 0.00 70.33 68.54 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 0.85 0.43 4.78 3.76 0.26 -5.09 115.29 117.18 2kvc s HIS 68 Ca -0.06 -1.74 -0.24 0.00 -0.15 0.00 0.00 55.06 52.87 2kvc s HIS 68 Cb 0.10 -0.99 -0.08 0.00 1.11 0.00 0.00 32.58 32.72 2kvc s HIS 68 CO 0.66 -0.82 1.14 -0.06 -0.85 0.00 0.00 174.74 174.81 2kvc s PHE 69 N 0.93 3.03 0.39 1.40 0.40 -1.18 -4.39 117.98 118.56 2kvc s PHE 69 Ca 0.19 1.56 -0.01 0.00 -0.60 0.00 0.00 56.93 58.08 2kvc s PHE 69 Cb -0.21 -3.33 0.08 0.00 0.51 0.00 0.00 43.02 40.07 2kvc s PHE 69 CO -0.01 -1.25 0.54 0.25 0.70 0.00 0.00 175.22 175.45 2kvc n THR 70 N -0.20 0.00 -0.08 0.64 -2.24 -1.22 -5.07 114.28 106.12 2kvc n THR 70 Ca 0.06 -0.80 -0.09 0.00 -2.27 0.00 0.00 64.05 60.95 2kvc n THR 70 Cb 0.48 -1.18 -0.05 0.00 -2.10 0.00 0.00 70.33 67.48 2kvc n THR 70 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2kvc h ASP 71 N -0.36 0.00 0.06 3.42 5.19 -1.98 -3.41 116.42 119.34 2kvc h ASP 71 Ca -0.18 -0.21 -0.20 0.00 -0.62 0.00 0.00 57.03 55.83 2kvc h ASP 71 Cb 0.64 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.17 2kvc h ASP 71 CO 0.18 0.91 -0.82 -0.08 -3.12 0.00 0.00 179.24 176.31 2kvc h GLU 72 N -1.00 0.44 -5.91 3.56 4.22 -2.04 -3.44 114.58 110.41 2kvc h GLU 72 Ca -0.09 -0.56 -0.62 0.00 0.08 0.00 0.00 59.36 58.16 2kvc h GLU 72 Cb 0.66 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 2kvc h GLU 72 CO -0.05 1.21 -0.33 -0.51 -2.18 0.00 0.00 179.01 177.15 2kvc s LEU 73 N -8.10 4.40 0.33 1.64 1.02 -1.26 -2.99 118.68 113.72 2kvc s LEU 73 Ca -0.12 0.69 -0.28 0.00 0.02 0.00 0.00 54.13 54.44 2kvc s LEU 73 Cb 0.03 -2.57 -0.10 0.00 0.02 0.00 0.00 46.19 43.58 2kvc s LEU 73 CO 0.85 0.29 1.20 -2.16 0.02 0.00 0.00 176.35 176.55 2kvc s PRO 74 N -1.44 4.37 0.32 1.29 0.04 -1.26 -3.46 135.00 134.86 2kvc s PRO 74 Ca 0.25 1.97 -0.03 0.00 0.04 0.00 0.00 61.00 63.23 2kvc s PRO 74 Cb -0.14 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 2kvc s PRO 74 CO 0.13 -0.08 0.55 -1.54 0.04 0.00 0.00 177.00 176.10 2kvc s SER 75 N -0.81 6.37 0.13 6.66 1.04 -1.16 -4.93 113.70 121.01 2kvc s SER 75 Ca 0.50 0.61 -0.26 0.00 0.48 0.00 0.00 55.95 57.27 2kvc s SER 75 Cb -0.34 -2.10 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 2kvc s SER 75 CO 0.45 -0.24 1.61 -0.65 0.98 0.00 0.00 173.24 175.39 2kvc h PRO 76 N 1.28 -0.39 0.00 4.02 0.11 -2.00 -0.13 132.00 134.89 2kvc h PRO 76 Ca -0.48 0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 2kvc h PRO 76 Cb 1.20 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 2kvc h PRO 76 CO 0.64 -0.26 -0.17 0.93 -0.21 0.00 0.00 178.00 178.93 2kvc h GLU 77 N -0.41 0.00 0.24 1.05 5.08 -1.98 0.83 114.58 119.39 2kvc h GLU 77 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2kvc h GLU 77 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2kvc h GLU 77 CO -0.32 0.17 -0.11 0.22 -1.00 0.00 0.00 179.01 177.96 2kvc h ASP 78 N 0.00 -0.27 -0.44 1.42 3.58 -1.75 0.01 116.42 118.97 2kvc h ASP 78 Ca -0.00 -0.20 0.07 0.00 0.42 0.00 0.00 57.03 57.32 2kvc h ASP 78 Cb 0.58 0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.64 2kvc h ASP 78 CO 0.02 0.07 0.11 0.58 -2.88 0.00 0.00 179.24 177.14 2kvc h VAL 79 N -0.64 0.79 -0.78 2.25 2.07 -0.57 -1.23 116.25 118.15 2kvc h VAL 79 Ca -0.03 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.44 2kvc h VAL 79 Cb 0.45 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 2kvc h VAL 79 CO 0.05 0.05 0.49 -0.08 0.02 0.00 0.00 177.57 178.10 2kvc h GLU 80 N 0.25 0.90 0.12 1.57 4.81 -0.83 -0.35 114.58 121.06 2kvc h GLU 80 Ca 0.21 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2kvc h GLU 80 Cb 0.25 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2kvc h GLU 80 CO -0.26 0.60 -0.06 -0.09 -0.73 0.00 0.00 179.01 178.47 2kvc h ARG 81 N 0.93 -0.16 -0.10 1.92 2.43 -0.14 -0.96 114.38 118.30 2kvc h ARG 81 Ca 0.32 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.45 2kvc h ARG 81 Cb 0.07 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2kvc h ARG 81 CO -0.13 0.08 -0.20 -0.24 -1.51 0.00 0.00 179.97 177.97 2kvc h VAL 82 N -0.39 1.20 0.19 0.20 3.04 -1.14 -1.07 116.25 118.27 2kvc h VAL 82 Ca -0.02 -0.91 -0.00 0.00 -1.01 0.00 0.00 66.70 64.76 2kvc h VAL 82 Cb 0.31 1.35 -0.00 0.00 -2.01 0.00 0.00 31.29 30.94 2kvc h VAL 82 CO 0.03 0.27 -0.12 -0.09 -1.01 0.00 0.00 177.57 176.65 2kvc h ARG 83 N 0.15 -0.29 -0.56 4.17 2.43 -0.71 0.60 114.38 120.17 2kvc h ARG 83 Ca 0.03 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2kvc h ARG 83 Cb 0.45 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 2kvc h ARG 83 CO 0.03 -0.20 0.25 0.00 -1.51 0.00 0.00 179.97 178.55 2kvc h ALA 84 N 0.50 0.72 -0.42 2.80 0.00 -0.74 0.98 119.26 123.10 2kvc h ALA 84 Ca -0.02 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2kvc h ALA 84 Cb 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2kvc h ALA 84 CO 0.01 0.30 -0.19 -0.09 0.00 0.00 0.00 179.25 179.28 2kvc h ARG 85 N 0.75 0.81 0.14 0.00 9.65 -1.07 -3.23 114.38 121.44 2kvc h ARG 85 Ca 0.19 -0.31 -0.30 0.00 -1.10 0.00 0.00 59.98 58.45 2kvc h ARG 85 Cb 0.14 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 2kvc h ARG 85 CO -0.02 0.93 -1.47 -0.07 2.80 0.00 0.00 179.97 182.14 2kvc h LEU 86 N 0.71 0.47 -2.56 3.80 -0.00 -0.71 -3.32 115.31 113.70 2kvc h LEU 86 Ca 0.10 -0.59 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 2kvc h LEU 86 Cb 0.70 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 41.21 2kvc h LEU 86 CO 0.05 1.48 0.02 0.00 -0.00 0.00 0.00 178.44 179.99 2kvc h ALA 87 N 0.45 1.43 0.00 1.53 0.00 -0.82 -0.47 119.26 121.38 2kvc h ALA 87 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kvc h ALA 87 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2kvc h ALA 87 CO 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.42 2kvc h ALA 88 N 1.98 1.00 -0.26 0.00 0.00 -1.66 -1.80 119.26 118.52 2kvc h ALA 88 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kvc h ALA 88 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kvc h ALA 88 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 2kvc n GLN 89 N -2.90 2.88 0.00 0.00 3.00 -0.19 -5.09 117.38 115.08 2kvc n GLN 89 Ca -0.01 -1.99 0.00 0.00 -0.01 0.00 0.00 57.00 54.99 2kvc n GLN 89 Cb 0.19 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 29.18 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 0.20 -0.51 3.16 1.08 0.00 -0.68 -5.01 105.19 103.43 2kvc n GLY 90 Ca 0.10 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.94 -1.69 -1.01 1.61 -0.11 -1.26 -3.76 118.94 111.78 2kvc s TRP 91 Ca 0.00 0.15 0.06 0.00 1.22 0.00 0.00 56.10 57.53 2kvc s TRP 91 Cb 0.00 0.30 0.28 0.00 -1.50 0.00 0.00 33.47 32.55 2kvc s TRP 91 CO 0.00 -1.18 1.00 -0.35 -4.62 0.00 0.00 176.95 171.79 2kvc n PRO 92 N 4.28 2.21 0.04 5.86 -0.04 -1.26 -3.61 135.00 142.47 2kvc n PRO 92 Ca 0.12 -1.08 0.09 0.00 -0.04 0.00 0.00 63.50 62.59 2kvc n PRO 92 Cb 0.57 -1.65 -0.09 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.23 0.44 0.00 1.53 4.77 -1.26 -5.03 117.00 117.67 2kvc n LEU 93 Ca 0.10 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2kvc n LEU 93 Cb 0.51 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2kvc n LEU 93 CO 0.10 -0.03 0.00 -0.67 -1.33 0.00 0.00 177.39 175.46 2kvc n ASP 94 N -2.52 0.00 -4.68 -1.43 -0.08 -1.24 -4.95 116.55 101.65 2kvc n ASP 94 Ca -0.05 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.94 2kvc n ASP 94 Cb 0.63 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 44.01 2kvc n ASP 94 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2kvc s ASP 95 N 2.00 4.94 -0.23 1.67 2.15 -1.26 -4.91 116.67 121.03 2kvc s ASP 95 Ca 0.00 -0.25 -0.00 0.00 0.43 0.00 0.00 52.55 52.73 2kvc s ASP 95 Cb 0.00 -1.14 0.06 0.00 -0.30 0.00 0.00 42.92 41.54 2kvc s ASP 95 CO 0.00 0.15 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.43 2kvc s VAL 96 N -1.44 1.26 -0.44 1.11 1.01 -1.26 -5.06 120.40 115.57 2kvc s VAL 96 Ca 0.26 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2kvc s VAL 96 Cb -0.11 -1.60 0.12 0.00 0.00 0.00 0.00 36.38 34.79 2kvc s VAL 96 CO 0.18 -0.14 0.19 -0.13 0.00 0.00 0.00 175.10 175.20 2kvc s ARG 97 N 1.52 1.87 0.58 2.72 1.81 -1.26 -5.11 118.95 121.08 2kvc s ARG 97 Ca -0.04 -2.17 -0.07 0.00 -1.72 0.00 0.00 55.73 51.73 2kvc s ARG 97 Cb -0.18 -3.39 -0.01 0.00 -0.45 0.00 0.00 34.95 30.93 2kvc s ARG 97 CO -0.07 -1.05 0.91 0.16 -0.68 0.00 0.00 175.30 174.57 2kvc s ASP 98 N 0.72 5.78 0.00 0.23 -4.77 -1.26 -4.97 116.67 112.40 2kvc s ASP 98 Ca 0.13 0.87 0.00 0.00 -3.30 0.00 0.00 52.55 50.25 2kvc s ASP 98 Cb -0.22 -1.92 0.00 0.00 -1.09 0.00 0.00 42.92 39.69 2kvc s ASP 98 CO -0.04 -0.97 0.00 -1.14 0.70 0.00 0.00 175.17 173.72 2kvc n ARG 99 N -2.58 0.00 0.00 2.11 0.63 -1.26 -5.13 116.66 110.43 2kvc n ARG 99 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 2kvc n ARG 99 Cb 0.57 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.48 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 -1.48 0.00 -0.11 -0.14 2.13 -1.26 -5.07 120.64 114.71 2kvc n GLU 100 Ca 0.00 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.63 2kvc n GLU 100 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 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 0.00 0.55 -2.97 5.31 1.02 -1.26 -5.10 120.64 118.19 2kvc n GLU 101 Ca 0.00 0.31 -0.05 0.00 -0.02 0.00 0.00 57.16 57.40 2kvc n GLU 101 Cb 0.00 -1.53 0.02 0.00 -0.02 0.00 0.00 31.44 29.91 2kvc n GLU 101 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2kvc n HIS 102 N -4.38 -1.78 0.94 -0.32 1.44 -1.26 -5.35 115.22 104.51 2kvc n HIS 102 Ca -0.33 -1.21 0.11 0.00 -2.01 0.00 0.00 57.72 54.28 2kvc n HIS 102 Cb 0.67 0.60 0.09 0.00 0.12 0.00 0.00 29.99 31.48 2kvc n HIS 102 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53