#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 6.69 0.17 1.61 0.01 -1.26 -4.76 113.70 116.15 2kvc s SER 2 Ca 0.00 -2.05 0.02 0.00 1.31 0.00 0.00 55.95 55.23 2kvc s SER 2 Cb 0.00 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 2kvc s SER 2 CO 0.00 -1.21 -0.02 -1.00 0.41 0.00 0.00 173.24 171.42 2kvc s HIS 3 N 3.71 1.21 0.35 2.43 3.76 -1.26 -5.05 115.29 120.44 2kvc s HIS 3 Ca 0.44 -0.96 0.04 0.00 -0.15 0.00 0.00 55.06 54.43 2kvc s HIS 3 Cb -0.01 -0.68 0.64 0.00 1.11 0.00 0.00 32.58 33.64 2kvc s HIS 3 CO -0.05 -0.14 1.93 0.52 -0.85 0.00 0.00 174.74 176.15 2kvc h MET 4 N 2.72 0.62 -0.38 1.40 2.86 -1.99 -1.68 114.93 118.48 2kvc h MET 4 Ca -0.37 -0.09 0.06 0.00 -2.06 0.00 0.00 59.70 57.24 2kvc h MET 4 Cb 1.20 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.69 2kvc h MET 4 CO 0.63 0.54 0.05 -0.97 1.06 0.00 0.00 176.91 178.22 2kvc h ASN 5 N 0.61 -0.05 -0.16 1.22 -0.73 -1.96 0.31 115.58 114.83 2kvc h ASN 5 Ca 0.15 0.07 -0.13 0.00 1.87 0.00 0.00 56.30 58.26 2kvc h ASN 5 Cb 0.17 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.86 2kvc h ASN 5 CO -0.01 0.01 -0.34 -0.09 -0.37 0.00 0.00 177.43 176.63 2kvc h ARG 6 N 0.16 0.67 -0.23 6.67 9.65 -1.72 -1.30 114.38 128.28 2kvc h ARG 6 Ca 0.18 -0.31 -0.02 0.00 -1.10 0.00 0.00 59.98 58.73 2kvc h ARG 6 Cb 0.23 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 2kvc h ARG 6 CO -0.26 0.91 0.07 0.35 2.80 0.00 0.00 179.97 183.84 2kvc h PHE 7 N 0.56 0.37 -0.69 2.20 3.57 -0.62 -0.65 116.94 121.69 2kvc h PHE 7 Ca 0.06 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2kvc h PHE 7 Cb 0.85 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 2kvc h PHE 7 CO 0.04 0.44 0.32 -0.07 -2.23 0.00 0.00 178.31 176.81 2kvc h LEU 8 N 0.20 0.89 -0.63 0.59 3.38 -0.30 0.04 115.31 119.48 2kvc h LEU 8 Ca 0.07 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2kvc h LEU 8 Cb 0.25 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2kvc h LEU 8 CO -0.00 0.76 0.39 0.74 0.09 0.00 0.00 178.44 180.43 2kvc h THR 9 N 0.97 1.10 -0.63 0.22 2.02 -0.93 0.24 112.91 115.90 2kvc h THR 9 Ca 0.24 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 2kvc h THR 9 Cb 0.12 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 2kvc h THR 9 CO -0.03 0.14 0.31 -1.28 0.37 0.00 0.00 175.52 175.04 2kvc h SER 10 N 0.78 0.82 0.00 4.18 0.87 -0.19 -0.73 113.55 119.28 2kvc h SER 10 Ca 0.25 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2kvc h SER 10 Cb -0.01 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 2kvc h SER 10 CO -0.09 0.72 -0.00 0.40 -0.53 0.00 0.00 176.83 177.33 2kvc h ILE 11 N 0.87 1.00 -0.11 2.23 1.08 -0.49 0.23 117.51 122.32 2kvc h ILE 11 Ca 0.22 -0.01 0.04 0.00 -0.39 0.00 0.00 64.86 64.71 2kvc h ILE 11 Cb 0.11 1.01 -0.04 0.00 -3.07 0.00 0.00 36.82 34.82 2kvc h ILE 11 CO -0.03 0.00 -0.16 0.58 -0.69 0.00 0.00 178.15 177.86 2kvc h VAL 12 N -0.01 0.59 -0.62 1.67 2.07 -0.75 0.29 116.25 119.50 2kvc h VAL 12 Ca -0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2kvc h VAL 12 Cb 0.01 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 2kvc h VAL 12 CO 0.00 0.00 0.38 0.00 0.02 0.00 0.00 177.57 177.97 2kvc h ALA 13 N 0.83 0.80 -0.27 1.67 0.00 -0.93 -1.26 119.26 120.09 2kvc h ALA 13 Ca 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2kvc h ALA 13 Cb 0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2kvc h ALA 13 CO -0.23 0.12 0.15 2.35 0.00 0.00 0.00 179.25 181.64 2kvc h TRP 14 N 0.74 0.36 -0.15 0.00 7.01 -0.00 0.13 115.95 124.04 2kvc h TRP 14 Ca 0.25 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.24 2kvc h TRP 14 Cb 0.03 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 2kvc h TRP 14 CO -0.05 0.30 0.10 -0.07 -2.79 0.00 0.00 178.44 175.92 2kvc h LEU 15 N 0.32 0.18 -0.64 0.65 3.38 -0.00 0.15 115.31 119.35 2kvc h LEU 15 Ca 0.09 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 2kvc h LEU 15 Cb 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2kvc h LEU 15 CO -0.02 0.14 -0.50 0.08 0.09 0.00 0.00 178.44 178.23 2kvc h ARG 16 N 0.19 0.46 0.00 1.13 0.11 -1.18 -2.27 114.38 112.82 2kvc h ARG 16 Ca 0.06 -0.27 -0.04 0.00 0.10 0.00 0.00 59.98 59.83 2kvc h ARG 16 Cb -0.00 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.09 2kvc h ARG 16 CO -0.01 0.86 -0.19 0.00 0.10 0.00 0.00 179.97 180.73 2kvc h ALA 17 N 1.10 1.33 0.00 0.08 0.00 -0.39 -1.18 119.26 120.20 2kvc h ALA 17 Ca 0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2kvc h ALA 17 Cb 1.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2kvc h ALA 17 CO 0.09 0.23 -0.52 0.78 0.00 0.00 0.00 179.25 179.84 2kvc h GLY 18 N 0.98 0.00 -6.06 0.00 0.00 -0.15 -3.39 103.07 94.44 2kvc h GLY 18 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 2kvc h GLY 18 CO 0.02 0.00 -0.96 -1.72 0.00 0.00 0.00 176.54 173.89 2kvc n TYR 19 N -3.60 -1.12 0.74 5.60 4.01 -0.52 -4.78 117.16 117.49 2kvc n TYR 19 Ca -0.00 -3.15 0.09 0.00 -0.16 0.00 0.00 57.90 54.68 2kvc n TYR 19 Cb 0.59 0.23 0.44 0.00 -0.31 0.00 0.00 39.34 40.29 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 2.32 0.07 -0.01 -0.72 -0.04 -0.77 -1.86 135.00 133.98 2kvc n PRO 20 Ca 0.25 0.15 0.14 0.00 -0.04 0.00 0.00 63.50 63.99 2kvc n PRO 20 Cb 0.51 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 33.00 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 -1.45 1.62 0.00 0.54 0.28 -1.26 -5.03 120.64 115.34 2kvc n GLU 21 Ca 0.06 -0.91 0.00 0.00 -0.16 0.00 0.00 57.16 56.15 2kvc n GLU 21 Cb 0.21 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 31.62 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 1.15 0.50 3.50 -1.84 0.00 -0.78 -4.94 105.19 102.79 2kvc n GLY 22 Ca 0.19 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 2kvc n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kvc s ILE 23 N -2.04 4.88 0.73 -0.61 1.09 -1.26 -4.91 121.20 119.08 2kvc s ILE 23 Ca 0.00 -0.04 -0.13 0.00 -1.10 0.00 0.00 60.65 59.38 2kvc s ILE 23 Cb 0.00 -4.18 0.04 0.00 -1.06 0.00 0.00 42.46 37.26 2kvc s ILE 23 CO 0.00 -0.58 1.12 -2.16 -0.10 0.00 0.00 174.94 173.22 2kvc s PRO 24 N 2.66 2.33 0.24 2.79 0.04 -1.26 -3.99 135.00 137.82 2kvc s PRO 24 Ca 0.20 1.40 0.17 0.00 0.04 0.00 0.00 61.00 62.80 2kvc s PRO 24 Cb -0.15 -1.89 0.88 0.00 0.04 0.00 0.00 34.50 33.38 2kvc s PRO 24 CO 0.17 -1.62 1.51 -0.35 0.04 0.00 0.00 177.00 176.75 2kvc n PRO 25 N -3.00 0.11 0.13 0.56 -0.04 -1.26 -0.78 135.00 130.72 2kvc n PRO 25 Ca 0.11 0.59 -0.23 0.00 -0.04 0.00 0.00 63.50 63.93 2kvc n PRO 25 Cb 0.52 -1.84 -0.15 0.00 -0.04 0.00 0.00 33.50 31.98 2kvc n PRO 25 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2kvc h THR 26 N 0.00 1.25 0.00 0.52 1.35 -2.02 -3.37 112.91 110.64 2kvc h THR 26 Ca 0.00 -2.73 0.00 0.00 -0.55 0.00 0.00 66.41 63.13 2kvc h THR 26 Cb 0.02 2.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 2kvc h THR 26 CO 0.00 0.83 -1.17 0.47 -0.25 0.00 0.00 175.52 175.40 2kvc n ASP 27 N -3.66 0.59 -0.11 5.36 9.92 -0.18 -3.53 116.55 124.94 2kvc n ASP 27 Ca -0.17 0.03 -0.09 0.00 -0.53 0.00 0.00 54.79 54.03 2kvc n ASP 27 Cb 1.09 0.85 -0.01 0.00 -0.64 0.00 0.00 41.12 42.41 2kvc n ASP 27 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 2kvc h SER 28 N 0.00 0.46 0.75 -2.24 4.64 -1.11 0.41 113.55 116.45 2kvc h SER 28 Ca 0.00 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.11 2kvc h SER 28 Cb 0.87 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 2kvc h SER 28 CO 0.00 0.46 -0.38 -0.26 -0.87 0.00 0.00 176.83 175.79 2kvc h PHE 29 N 0.43 0.00 -0.04 4.77 0.04 -1.72 -0.82 116.94 119.60 2kvc h PHE 29 Ca 0.12 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 2kvc h PHE 29 Cb 0.13 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 2kvc h PHE 29 CO -0.01 0.38 -0.02 0.00 -0.60 0.00 0.00 178.31 178.05 2kvc h ALA 30 N 1.62 0.05 -0.87 2.45 0.00 -1.43 -0.13 119.26 120.95 2kvc h ALA 30 Ca -0.00 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.75 2kvc h ALA 30 Cb 0.85 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 2kvc h ALA 30 CO 0.05 -0.21 0.53 0.28 0.00 0.00 0.00 179.25 179.91 2kvc h VAL 31 N -0.33 0.99 -0.41 0.00 2.07 -0.07 -0.69 116.25 117.81 2kvc h VAL 31 Ca 0.01 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.29 2kvc h VAL 31 Cb 0.46 -0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.15 2kvc h VAL 31 CO 0.01 0.17 0.01 0.25 0.02 0.00 0.00 177.57 178.02 2kvc h LEU 32 N 0.93 -0.16 -0.59 2.57 5.85 -0.96 0.26 115.31 123.22 2kvc h LEU 32 Ca 0.40 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.21 2kvc h LEU 32 Cb 0.27 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 2kvc h LEU 32 CO -0.21 -0.04 0.34 0.00 -0.34 0.00 0.00 178.44 178.19 2kvc h ALA 33 N 1.36 0.75 -0.28 1.25 0.00 0.27 0.21 119.26 122.82 2kvc h ALA 33 Ca 0.20 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2kvc h ALA 33 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2kvc h ALA 33 CO -0.33 0.25 -0.01 -0.07 0.00 0.00 0.00 179.25 179.08 2kvc h LEU 34 N 0.79 0.50 -0.67 0.00 -0.00 -0.70 -3.01 115.31 112.22 2kvc h LEU 34 Ca 0.21 -0.32 -0.13 0.00 -0.00 0.00 0.00 57.88 57.64 2kvc h LEU 34 Cb 0.01 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.53 2kvc h LEU 34 CO -0.04 0.70 -0.36 -0.07 -0.00 0.00 0.00 178.44 178.67 2kvc h LEU 35 N 0.28 0.66 -1.86 1.67 3.38 -0.28 -2.94 115.31 116.22 2kvc h LEU 35 Ca 0.08 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2kvc h LEU 35 Cb 0.45 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2kvc h LEU 35 CO 0.02 0.96 -0.06 0.00 0.09 0.00 0.00 178.44 179.44 2kvc n ARG 37 N -3.26 0.41 -0.06 0.00 1.74 -1.11 -4.14 116.66 110.23 2kvc n ARG 37 Ca -0.01 -0.16 -0.13 0.00 -0.77 0.00 0.00 57.85 56.78 2kvc n ARG 37 Cb 0.25 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.15 2kvc n ARG 37 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2kvc n ARG 38 N -1.15 0.30 -4.39 5.56 3.00 -0.18 -5.09 116.66 114.71 2kvc n ARG 38 Ca 0.11 0.13 -0.30 0.00 -0.00 0.00 0.00 57.85 57.78 2kvc n ARG 38 Cb 0.31 -1.01 -0.05 0.00 0.00 0.00 0.00 32.46 31.72 2kvc n ARG 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kvc s LEU 39 N -6.93 2.46 0.76 6.15 1.43 0.15 -5.13 118.68 117.57 2kvc s LEU 39 Ca -0.19 -1.49 -0.07 0.00 -1.03 0.00 0.00 54.13 51.36 2kvc s LEU 39 Cb 0.07 -0.92 0.11 0.00 0.03 0.00 0.00 46.19 45.47 2kvc s LEU 39 CO 0.25 -0.97 1.06 -0.44 0.23 0.00 0.00 176.35 176.48 2kvc s SER 40 N -4.05 4.35 0.44 2.29 0.01 -1.26 -4.31 113.70 111.17 2kvc s SER 40 Ca 0.17 0.17 0.22 0.00 1.31 0.00 0.00 55.95 57.82 2kvc s SER 40 Cb -0.00 -0.63 1.01 0.00 0.21 0.00 0.00 66.02 66.61 2kvc s SER 40 CO 0.10 -1.89 1.89 0.45 0.41 0.00 0.00 173.24 174.21 2kvc h HIS 41 N -0.77 0.00 -0.15 2.43 3.86 -1.93 -1.32 115.15 117.27 2kvc h HIS 41 Ca -0.42 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 58.69 2kvc h HIS 41 Cb 1.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.75 2kvc h HIS 41 CO -0.13 0.25 -0.29 0.22 0.86 0.00 0.00 177.93 178.84 2kvc h ASP 42 N 0.00 0.52 -0.18 2.45 3.58 -1.97 0.07 116.42 120.90 2kvc h ASP 42 Ca -0.00 -0.55 0.02 0.00 0.42 0.00 0.00 57.03 56.92 2kvc h ASP 42 Cb 0.63 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 2kvc h ASP 42 CO 0.03 0.97 0.04 -0.33 -2.88 0.00 0.00 179.24 177.08 2kvc h GLU 43 N 0.09 0.12 -0.45 0.28 3.07 -1.78 0.27 114.58 116.17 2kvc h GLU 43 Ca 0.01 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 2kvc h GLU 43 Cb 0.88 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.75 2kvc h GLU 43 CO 0.07 0.08 -0.04 -0.39 -1.40 0.00 0.00 179.01 177.32 2kvc h VAL 44 N 0.12 1.24 -0.64 3.13 -1.51 -1.29 -1.18 116.25 116.11 2kvc h VAL 44 Ca 0.08 -1.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.51 2kvc h VAL 44 Cb 0.06 0.94 -0.03 0.00 -2.13 0.00 0.00 31.29 30.13 2kvc h VAL 44 CO -0.09 0.36 0.40 0.50 -1.23 0.00 0.00 177.57 177.51 2kvc h LYS 45 N 0.70 0.86 0.12 5.19 3.11 -0.49 -1.04 116.57 125.02 2kvc h LYS 45 Ca 0.13 -0.07 -0.01 0.00 -2.81 0.00 0.00 60.65 57.90 2kvc h LYS 45 Cb 0.48 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.53 2kvc h LYS 45 CO 0.02 0.60 -0.06 0.00 -2.81 0.00 0.00 179.45 177.21 2kvc h ALA 46 N 1.21 -0.16 -0.62 5.00 0.00 -0.01 -1.45 119.26 123.24 2kvc h ALA 46 Ca 0.23 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2kvc h ALA 46 Cb -0.06 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2kvc h ALA 46 CO -0.05 -0.45 0.09 -0.24 0.00 0.00 0.00 179.25 178.61 2kvc h VAL 47 N -0.45 1.26 -0.27 0.00 3.04 -1.19 -1.05 116.25 117.59 2kvc h VAL 47 Ca -0.02 -1.02 -0.03 0.00 -1.01 0.00 0.00 66.70 64.63 2kvc h VAL 47 Cb 0.37 0.72 -0.01 0.00 -2.01 0.00 0.00 31.29 30.35 2kvc h VAL 47 CO 0.03 0.38 0.07 0.00 -1.01 0.00 0.00 177.57 177.03 2kvc h ALA 48 N 1.02 0.35 -0.20 3.17 0.00 -1.21 -1.26 119.26 121.13 2kvc h ALA 48 Ca 0.19 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2kvc h ALA 48 Cb 0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2kvc h ALA 48 CO 0.01 0.01 0.07 -0.97 0.00 0.00 0.00 179.25 178.37 2kvc h ASN 49 N 0.27 0.07 0.33 0.00 -0.73 -1.09 -0.82 115.58 113.62 2kvc h ASN 49 Ca 0.08 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.27 2kvc h ASN 49 Cb 0.28 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 2kvc h ASN 49 CO 0.00 0.07 -0.23 -0.08 -0.37 0.00 0.00 177.43 176.82 2kvc h GLU 50 N 0.16 -0.54 -0.60 6.67 4.57 -1.07 0.20 114.58 123.97 2kvc h GLU 50 Ca 0.09 0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.25 2kvc h GLU 50 Cb 0.06 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 2kvc h GLU 50 CO -0.09 -0.36 0.17 1.25 -1.18 0.00 0.00 179.01 178.80 2kvc h LEU 51 N -0.56 0.85 -0.35 1.64 7.12 -1.11 -2.08 115.31 120.82 2kvc h LEU 51 Ca -0.03 -0.15 -0.19 0.00 0.13 0.00 0.00 57.88 57.64 2kvc h LEU 51 Cb 0.47 -0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 40.38 2kvc h LEU 51 CO 0.01 0.81 -0.78 0.24 -0.13 0.00 0.00 178.44 178.59 2kvc h MET 52 N 0.88 0.39 -0.47 1.25 2.86 -1.01 -3.11 114.93 115.73 2kvc h MET 52 Ca 0.20 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 2kvc h MET 52 Cb 0.28 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 2kvc h MET 52 CO -0.01 1.00 0.24 -0.09 1.06 0.00 0.00 176.91 179.11 2kvc h ARG 53 N 0.26 0.64 0.00 1.72 2.43 0.00 0.06 114.38 119.49 2kvc h ARG 53 Ca -0.04 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 2kvc h ARG 53 Cb 1.37 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2kvc h ARG 53 CO 0.13 0.49 -0.12 1.25 -1.51 0.00 0.00 179.97 180.22 2kvc h LEU 54 N 0.65 0.00 0.00 3.80 6.46 -1.33 -3.46 115.31 121.43 2kvc h LEU 54 Ca 0.17 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2kvc h LEU 54 Cb 0.05 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 2kvc h LEU 54 CO -0.03 0.12 0.00 0.61 -0.62 0.00 0.00 178.44 178.52 2kvc n GLY 55 N -0.46 0.67 1.61 3.75 0.00 0.01 -4.92 105.19 105.84 2kvc n GLY 55 Ca -0.01 -0.21 0.07 0.00 0.00 0.00 0.00 46.02 45.87 2kvc n GLY 55 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kvc n ASP 56 N 0.38 5.19 -4.10 1.61 2.03 -1.21 -4.90 116.55 115.54 2kvc n ASP 56 Ca 0.00 -2.97 -0.12 0.00 0.52 0.00 0.00 54.79 52.21 2kvc n ASP 56 Cb 0.00 -0.65 -0.11 0.00 -0.72 0.00 0.00 41.12 39.64 2kvc n ASP 56 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2kvc s PHE 57 N -2.80 0.77 -0.01 -0.67 2.19 -1.25 -4.77 117.98 111.43 2kvc s PHE 57 Ca 0.51 -0.64 -0.30 0.00 0.33 0.00 0.00 56.93 56.83 2kvc s PHE 57 Cb 0.40 -0.45 -0.08 0.00 -1.31 0.00 0.00 43.02 41.57 2kvc s PHE 57 CO 0.14 -0.10 2.03 0.34 1.83 0.00 0.00 175.22 179.45 2kvc s ASP 58 N -2.10 6.25 -0.85 6.13 -1.08 -1.26 -4.86 116.67 118.90 2kvc s ASP 58 Ca -0.02 2.54 -0.25 0.00 -0.52 0.00 0.00 52.55 54.30 2kvc s ASP 58 Cb -0.05 -2.53 0.01 0.00 -1.46 0.00 0.00 42.92 38.89 2kvc s ASP 58 CO -0.01 -1.24 1.62 -1.10 0.52 0.00 0.00 175.17 174.96 2kvc s GLN 59 N 4.84 3.04 0.39 4.34 -0.21 -1.26 -4.91 119.66 125.90 2kvc s GLN 59 Ca 0.91 -0.38 0.04 0.00 0.02 0.00 0.00 55.36 55.95 2kvc s GLN 59 Cb -0.41 -4.84 -0.03 0.00 1.00 0.00 0.00 33.01 28.73 2kvc s GLN 59 CO 0.41 -2.61 0.13 0.96 -2.12 0.00 0.00 175.29 172.06 2kvc s ILE 60 N 7.28 0.61 -0.66 1.08 -4.36 -1.26 -5.10 121.20 118.79 2kvc s ILE 60 Ca 0.54 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.75 2kvc s ILE 60 Cb -0.06 -2.39 0.13 0.00 1.25 0.00 0.00 42.46 41.38 2kvc s ILE 60 CO 0.04 0.00 0.74 -1.81 0.24 0.00 0.00 174.94 174.15 2kvc s ASP 61 N -3.58 6.31 0.01 4.36 1.01 -1.26 -4.84 116.67 118.69 2kvc s ASP 61 Ca 0.26 -1.71 -0.07 0.00 0.71 0.00 0.00 52.55 51.73 2kvc s ASP 61 Cb 0.03 -2.29 -0.30 0.00 1.01 0.00 0.00 42.92 41.37 2kvc s ASP 61 CO 0.15 -1.01 0.89 0.40 0.21 0.00 0.00 175.17 175.80 2kvc h ILE 62 N 5.75 1.18 -0.94 0.77 1.08 -1.98 -3.36 117.51 120.01 2kvc h ILE 62 Ca -0.19 -2.76 0.17 0.00 -0.39 0.00 0.00 64.86 61.69 2kvc h ILE 62 Cb 1.07 2.84 -0.08 0.00 -3.07 0.00 0.00 36.82 37.59 2kvc h ILE 62 CO 1.05 0.84 0.60 1.23 -0.69 0.00 0.00 178.15 181.18 2kvc h GLY 63 N 1.17 1.33 1.60 5.37 0.00 -1.96 0.11 103.07 110.69 2kvc h GLY 63 Ca -0.25 -0.30 -0.15 0.00 0.00 0.00 0.00 47.33 46.62 2kvc h GLY 63 CO 0.19 0.03 -0.57 -0.24 0.00 0.00 0.00 176.54 175.95 2kvc h VAL 64 N 0.67 1.35 0.19 4.60 3.04 -1.96 -3.18 116.25 120.95 2kvc h VAL 64 Ca 0.50 -1.87 -0.32 0.00 -1.01 0.00 0.00 66.70 64.00 2kvc h VAL 64 Cb 0.87 1.87 0.02 0.00 -2.01 0.00 0.00 31.29 32.04 2kvc h VAL 64 CO -0.25 0.57 -1.46 0.58 -1.01 0.00 0.00 177.57 175.99 2kvc h VAL 65 N 0.31 1.28 0.00 1.51 2.07 -1.25 -2.62 116.25 117.56 2kvc h VAL 65 Ca 0.00 -2.80 -0.06 0.00 0.82 0.00 0.00 66.70 64.67 2kvc h VAL 65 Cb 1.10 2.94 -0.01 0.00 -1.52 0.00 0.00 31.29 33.80 2kvc h VAL 65 CO 0.10 0.84 -0.27 0.16 0.02 0.00 0.00 177.57 178.42 2kvc h ILE 66 N 0.11 0.75 -0.31 4.57 3.07 -1.12 -2.43 117.51 122.15 2kvc h ILE 66 Ca -0.23 -1.16 0.00 0.00 1.55 0.00 0.00 64.86 65.02 2kvc h ILE 66 Cb 2.08 1.73 0.00 0.00 -0.27 0.00 0.00 36.82 40.36 2kvc h ILE 66 CO 0.23 0.27 0.00 0.35 -1.05 0.00 0.00 178.15 177.94 2kvc n THR 67 N -3.57 0.92 -2.87 0.16 -2.24 -1.20 -4.73 114.28 100.76 2kvc n THR 67 Ca -0.01 -0.96 -0.08 0.00 -2.27 0.00 0.00 64.05 60.73 2kvc n THR 67 Cb 0.41 0.56 -0.01 0.00 -2.10 0.00 0.00 70.33 69.20 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 0.47 -3.30 -1.45 4.78 -0.00 -0.94 -5.07 115.22 109.71 2kvc n HIS 68 Ca 0.11 -1.73 -0.29 0.00 -0.00 0.00 0.00 57.72 55.80 2kvc n HIS 68 Cb 0.41 1.28 0.18 0.00 -0.00 0.00 0.00 29.99 31.85 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 0.70 1.64 0.03 1.57 0.08 -1.08 -4.40 117.98 116.52 2kvc s PHE 69 Ca 0.31 0.63 -0.00 0.00 0.12 0.00 0.00 56.93 57.98 2kvc s PHE 69 Cb 0.03 -3.56 -0.02 0.00 -0.57 0.00 0.00 43.02 38.89 2kvc s PHE 69 CO -0.09 -2.95 -0.03 0.99 -0.10 0.00 0.00 175.22 173.04 2kvc s THR 70 N -3.30 0.14 -2.04 0.64 2.01 -1.19 -5.04 115.64 106.85 2kvc s THR 70 Ca 0.68 -1.15 0.11 0.00 0.31 0.00 0.00 61.69 61.64 2kvc s THR 70 Cb -0.11 -0.60 0.29 0.00 0.01 0.00 0.00 72.50 72.09 2kvc s THR 70 CO 0.54 -0.63 1.28 0.47 -0.69 0.00 0.00 174.62 175.59 2kvc n ASP 71 N 1.19 1.47 0.00 3.53 8.00 -1.26 -3.68 116.55 125.80 2kvc n ASP 71 Ca -0.21 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.35 2kvc n ASP 71 Cb 0.57 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 2kvc n ASP 71 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2kvc n GLU 72 N 0.28 2.00 -4.52 -1.24 2.13 -1.26 -5.00 120.64 113.02 2kvc n GLU 72 Ca 0.11 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.65 2kvc n GLU 72 Cb 0.24 -0.97 -0.17 0.00 0.27 0.00 0.00 31.44 30.82 2kvc n GLU 72 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2kvc s LEU 73 N -4.29 1.72 0.59 4.31 1.02 -1.24 -2.84 118.68 117.95 2kvc s LEU 73 Ca 0.00 -0.41 -0.16 0.00 0.02 0.00 0.00 54.13 53.58 2kvc s LEU 73 Cb 0.00 -1.05 -0.04 0.00 0.02 0.00 0.00 46.19 45.12 2kvc s LEU 73 CO 0.00 0.03 1.07 -2.16 0.02 0.00 0.00 176.35 175.30 2kvc s PRO 74 N 0.89 3.30 0.40 1.29 0.04 -1.26 -3.17 135.00 136.49 2kvc s PRO 74 Ca -0.09 1.27 -0.12 0.00 0.04 0.00 0.00 61.00 62.10 2kvc s PRO 74 Cb -0.15 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 2kvc s PRO 74 CO 0.00 -0.83 0.78 -1.54 0.04 0.00 0.00 177.00 175.45 2kvc s SER 75 N -2.61 6.58 0.54 6.66 1.04 -1.13 -4.94 113.70 119.83 2kvc s SER 75 Ca 0.65 1.20 0.22 0.00 0.48 0.00 0.00 55.95 58.50 2kvc s SER 75 Cb -0.17 -2.35 1.40 0.00 0.10 0.00 0.00 66.02 64.99 2kvc s SER 75 CO 0.35 -0.38 2.09 1.55 0.98 0.00 0.00 173.24 177.83 2kvc h PRO 76 N 1.40 0.00 -0.01 4.02 0.13 -1.96 -1.11 132.00 134.47 2kvc h PRO 76 Ca -0.47 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 2kvc h PRO 76 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 2kvc h PRO 76 CO 0.64 0.00 -0.97 0.93 -0.23 0.00 0.00 178.00 178.37 2kvc h GLU 77 N 0.00 0.55 -0.27 0.86 5.08 -1.98 0.25 114.58 119.08 2kvc h GLU 77 Ca 0.11 -0.58 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 2kvc h GLU 77 Cb 0.44 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2kvc h GLU 77 CO -0.00 1.20 0.14 -0.44 -1.00 0.00 0.00 179.01 178.91 2kvc h ASP 78 N 0.32 0.35 -0.26 1.42 3.32 -1.71 0.31 116.42 120.17 2kvc h ASP 78 Ca -0.10 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 56.87 2kvc h ASP 78 Cb 1.61 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 41.04 2kvc h ASP 78 CO 0.18 0.37 0.04 0.58 -1.72 0.00 0.00 179.24 178.69 2kvc h VAL 79 N 0.31 0.87 -0.48 -1.35 2.07 -1.14 -1.27 116.25 115.26 2kvc h VAL 79 Ca 0.09 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 2kvc h VAL 79 Cb 0.11 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2kvc h VAL 79 CO -0.01 0.03 0.30 -0.08 0.02 0.00 0.00 177.57 177.82 2kvc h GLU 80 N 0.14 0.64 0.16 1.57 4.81 -0.29 0.11 114.58 121.73 2kvc h GLU 80 Ca 0.12 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2kvc h GLU 80 Cb 0.13 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2kvc h GLU 80 CO -0.17 0.45 -0.08 -0.09 -0.73 0.00 0.00 179.01 178.40 2kvc h ARG 81 N 0.64 -0.21 -0.08 1.92 2.43 -0.66 -1.10 114.38 117.32 2kvc h ARG 81 Ca 0.17 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 2kvc h ARG 81 Cb -0.03 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2kvc h ARG 81 CO -0.03 -0.08 -0.33 -0.24 -1.51 0.00 0.00 179.97 177.78 2kvc h VAL 82 N -0.30 1.26 0.01 0.20 3.04 -1.16 -0.66 116.25 118.64 2kvc h VAL 82 Ca -0.02 -1.25 0.01 0.00 -1.01 0.00 0.00 66.70 64.43 2kvc h VAL 82 Cb 0.23 1.57 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 2kvc h VAL 82 CO 0.04 0.37 -0.07 -0.09 -1.01 0.00 0.00 177.57 176.81 2kvc h ARG 83 N 0.13 -0.12 -0.17 4.17 2.43 -0.42 0.61 114.38 121.00 2kvc h ARG 83 Ca 0.02 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 2kvc h ARG 83 Cb 0.65 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2kvc h ARG 83 CO 0.05 -0.08 -0.12 0.00 -1.51 0.00 0.00 179.97 178.31 2kvc h ALA 84 N 0.86 0.25 -0.79 2.80 0.00 -0.94 -2.16 119.26 119.28 2kvc h ALA 84 Ca 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2kvc h ALA 84 Cb 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2kvc h ALA 84 CO -0.07 0.10 0.36 -0.09 0.00 0.00 0.00 179.25 179.56 2kvc h ARG 85 N 0.05 1.14 0.00 0.00 9.65 -1.00 -2.48 114.38 121.74 2kvc h ARG 85 Ca 0.03 -0.17 -0.17 0.00 -1.10 0.00 0.00 59.98 58.58 2kvc h ARG 85 Cb 0.62 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 2kvc h ARG 85 CO 0.03 0.89 -0.82 -0.07 2.80 0.00 0.00 179.97 182.80 2kvc h LEU 86 N 1.13 0.00 -1.10 3.80 -0.00 -0.92 -3.22 115.31 115.00 2kvc h LEU 86 Ca 0.27 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 58.10 2kvc h LEU 86 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 2kvc h LEU 86 CO -0.03 0.77 -0.24 0.00 -0.00 0.00 0.00 178.44 178.93 2kvc h ALA 87 N 1.23 1.02 -0.69 1.53 0.00 -1.01 -3.13 119.26 118.22 2kvc h ALA 87 Ca -0.02 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.68 2kvc h ALA 87 Cb 1.60 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 2kvc h ALA 87 CO 0.10 0.30 0.46 0.00 0.00 0.00 0.00 179.25 180.11 2kvc h ALA 88 N 1.76 1.54 -0.22 0.00 0.00 -1.46 -0.64 119.26 120.24 2kvc h ALA 88 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kvc h ALA 88 Cb 0.76 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kvc h ALA 88 CO 0.03 0.41 0.00 1.04 0.00 0.00 0.00 179.25 180.73 2kvc n GLN 89 N -4.44 1.70 0.00 0.00 3.00 -1.18 -4.99 117.38 111.47 2kvc n GLN 89 Ca 0.08 -1.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.00 2kvc n GLN 89 Cb 0.07 -1.34 0.00 0.00 0.00 0.00 0.00 30.24 28.97 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 1.07 2.63 3.23 1.08 0.00 -0.25 -4.99 105.19 107.96 2kvc n GLY 90 Ca 0.14 -1.58 -0.42 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 -1.12 3.46 -2.17 1.61 -0.11 -1.26 -4.58 118.94 114.79 2kvc s TRP 91 Ca 0.00 -1.94 0.17 0.00 1.22 0.00 0.00 56.10 55.55 2kvc s TRP 91 Cb 0.00 -3.56 0.60 0.00 -1.50 0.00 0.00 33.47 29.01 2kvc s TRP 91 CO 0.00 -0.98 1.44 -0.35 -4.62 0.00 0.00 176.95 172.45 2kvc n PRO 92 N 4.58 1.73 0.12 5.86 -0.04 -1.26 -4.10 135.00 141.89 2kvc n PRO 92 Ca -0.03 -1.11 -0.21 0.00 -0.04 0.00 0.00 63.50 62.11 2kvc n PRO 92 Cb 0.41 -1.34 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 2kvc n PRO 92 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2kvc h LEU 93 N 2.07 0.67 -8.27 1.53 3.38 -2.02 -3.46 115.31 109.21 2kvc h LEU 93 Ca 0.00 -0.70 -0.53 0.00 0.09 0.00 0.00 57.88 56.74 2kvc h LEU 93 Cb 0.46 -0.22 -0.30 0.00 0.09 0.00 0.00 40.66 40.70 2kvc h LEU 93 CO 0.00 1.54 -0.83 -0.62 0.09 0.00 0.00 178.44 178.63 2kvc s ASP 94 N -7.38 1.92 0.08 -0.43 2.15 -1.26 -5.07 116.67 106.67 2kvc s ASP 94 Ca -0.07 -0.30 0.03 0.00 0.43 0.00 0.00 52.55 52.65 2kvc s ASP 94 Cb 0.06 -0.26 -0.04 0.00 -0.30 0.00 0.00 42.92 42.38 2kvc s ASP 94 CO 0.92 0.19 0.06 -0.62 -0.17 0.00 0.00 175.17 175.55 2kvc s ASP 95 N -0.32 5.41 -0.15 -0.34 2.15 -1.26 -5.01 116.67 117.16 2kvc s ASP 95 Ca 0.05 -0.04 -0.00 0.00 0.43 0.00 0.00 52.55 52.99 2kvc s ASP 95 Cb -0.07 -1.42 -0.01 0.00 -0.30 0.00 0.00 42.92 41.12 2kvc s ASP 95 CO -0.00 0.18 -0.13 -0.69 -0.17 0.00 0.00 175.17 174.35 2kvc s VAL 96 N -1.35 2.87 -0.40 1.11 1.01 -1.26 -5.08 120.40 117.29 2kvc s VAL 96 Ca 0.28 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.59 2kvc s VAL 96 Cb -0.12 -2.22 0.11 0.00 0.00 0.00 0.00 36.38 34.15 2kvc s VAL 96 CO 0.20 0.51 0.12 -0.13 0.00 0.00 0.00 175.10 175.81 2kvc s ARG 97 N 0.70 1.66 -0.20 2.72 0.52 -1.26 -5.05 118.95 118.03 2kvc s ARG 97 Ca -0.06 -2.13 -0.03 0.00 -0.52 0.00 0.00 55.73 52.98 2kvc s ARG 97 Cb -0.15 -3.25 -0.01 0.00 0.52 0.00 0.00 34.95 32.05 2kvc s ARG 97 CO 0.02 -1.00 -0.06 -0.51 0.02 0.00 0.00 175.30 173.77 2kvc s ASP 98 N 0.51 4.28 0.00 0.23 1.01 -1.26 -4.96 116.67 116.48 2kvc s ASP 98 Ca 0.13 -0.36 0.00 0.00 0.71 0.00 0.00 52.55 53.02 2kvc s ASP 98 Cb -0.21 -1.72 0.00 0.00 1.01 0.00 0.00 42.92 42.00 2kvc s ASP 98 CO -0.05 0.02 0.08 -2.11 0.21 0.00 0.00 175.17 173.32 2kvc n ARG 99 N 4.52 -0.12 -3.12 8.23 -4.01 -1.26 -5.07 116.66 115.83 2kvc n ARG 99 Ca -0.18 -0.08 -0.39 0.00 -1.04 0.00 0.00 57.85 56.16 2kvc n ARG 99 Cb 0.51 -0.57 -0.06 0.00 -3.04 0.00 0.00 32.46 29.31 2kvc n ARG 99 CO 0.00 0.00 0.00 -1.83 -3.04 0.00 0.00 177.63 172.76 2kvc s GLU 100 N -0.00 4.39 -0.23 2.89 -1.05 -1.26 -5.04 118.70 118.39 2kvc s GLU 100 Ca 0.00 0.93 -0.09 0.00 -0.15 0.00 0.00 54.97 55.65 2kvc s GLU 100 Cb 0.00 -3.28 0.09 0.00 -0.44 0.00 0.00 34.13 30.50 2kvc s GLU 100 CO 0.00 0.51 0.52 -1.83 0.95 0.00 0.00 175.26 175.41 2kvc s GLU 101 N -0.79 0.46 -0.64 -4.83 -1.05 -1.26 -5.06 118.70 105.53 2kvc s GLU 101 Ca 0.33 1.13 0.06 0.00 -0.15 0.00 0.00 54.97 56.34 2kvc s GLU 101 Cb -0.21 0.38 0.24 0.00 -0.44 0.00 0.00 34.13 34.11 2kvc s GLU 101 CO 0.22 -0.21 0.72 -2.39 0.95 0.00 0.00 175.26 174.56 2kvc n HIS 102 N 5.04 3.58 0.82 4.83 1.44 -1.26 -5.35 115.22 124.32 2kvc n HIS 102 Ca -0.14 -4.17 0.10 0.00 -2.01 0.00 0.00 57.72 51.50 2kvc n HIS 102 Cb 0.52 -0.56 0.08 0.00 0.12 0.00 0.00 29.99 30.15 2kvc n HIS 102 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53