#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kiv s GLN 2 N 0.00 1.82 -0.19 5.55 1.11 -1.26 -5.14 119.66 121.54 2kiv s GLN 2 Ca 0.00 -1.80 -0.08 0.00 0.01 0.00 0.00 55.36 53.49 2kiv s GLN 2 Cb 0.00 -1.79 0.08 0.00 -1.01 0.00 0.00 33.01 30.28 2kiv s GLN 2 CO 0.00 0.24 0.43 0.99 0.01 0.00 0.00 175.29 176.96 2kiv s THR 3 N -2.53 -0.35 0.37 -0.19 2.01 -1.26 -4.70 115.64 108.99 2kiv s THR 3 Ca 0.31 0.13 0.12 0.00 0.31 0.00 0.00 61.69 62.56 2kiv s THR 3 Cb -0.02 -0.65 0.34 0.00 0.01 0.00 0.00 72.50 72.17 2kiv s THR 3 CO 0.16 0.05 1.86 0.58 -0.69 0.00 0.00 174.62 176.59 2kiv h VAL 4 N 5.85 0.78 -0.20 3.82 2.07 -1.93 -1.06 116.25 125.59 2kiv h VAL 4 Ca -0.26 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 2kiv h VAL 4 Cb 1.15 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2kiv h VAL 4 CO 0.20 0.11 0.12 1.23 0.02 0.00 0.00 177.57 179.25 2kiv h GLY 5 N 0.60 0.28 0.68 2.17 0.00 -1.96 0.28 103.07 105.12 2kiv h GLY 5 Ca 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 2kiv h GLY 5 CO -0.20 0.11 -0.00 1.46 0.00 0.00 0.00 176.54 177.91 2kiv h GLN 6 N 0.25 0.05 0.14 4.80 4.20 -1.73 -0.60 115.11 122.23 2kiv h GLN 6 Ca 0.07 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2kiv h GLN 6 Cb 0.01 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2kiv h GLN 6 CO -0.01 0.38 -0.10 2.35 -0.67 0.00 0.00 178.83 180.78 2kiv h TRP 7 N -0.28 -0.25 -0.37 2.96 7.01 -1.18 0.35 115.95 124.18 2kiv h TRP 7 Ca 0.01 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.03 2kiv h TRP 7 Cb 0.36 0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.49 2kiv h TRP 7 CO 0.04 -0.16 0.20 1.25 -2.79 0.00 0.00 178.44 176.99 2kiv h LEU 8 N -0.24 0.31 -1.33 0.65 5.85 -0.48 -1.01 115.31 119.05 2kiv h LEU 8 Ca -0.01 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2kiv h LEU 8 Cb 0.21 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2kiv h LEU 8 CO 0.00 0.22 0.34 -0.08 -0.34 0.00 0.00 178.44 178.59 2kiv h GLU 9 N 0.41 0.80 -0.01 1.25 4.81 -0.90 0.20 114.58 121.14 2kiv h GLU 9 Ca 0.15 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2kiv h GLU 9 Cb 0.04 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 2kiv h GLU 9 CO -0.09 0.57 -0.00 1.03 -0.73 0.00 0.00 179.01 179.79 2kiv h SER 10 N 0.81 0.01 0.78 1.04 0.87 -0.21 -2.99 113.55 113.87 2kiv h SER 10 Ca 0.21 -0.34 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 2kiv h SER 10 Cb -0.01 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2kiv h SER 10 CO -0.04 0.35 -0.21 0.16 -0.53 0.00 0.00 176.83 176.56 2kiv h ILE 11 N -0.32 0.58 0.00 2.23 3.07 -0.94 -3.47 117.51 118.66 2kiv h ILE 11 Ca 0.00 -1.01 0.00 0.00 1.55 0.00 0.00 64.86 65.41 2kiv h ILE 11 Cb 0.34 1.67 0.00 0.00 -0.27 0.00 0.00 36.82 38.56 2kiv h ILE 11 CO 0.00 0.21 0.00 0.61 -1.05 0.00 0.00 178.15 177.92 2kiv n GLY 12 N -0.05 0.06 3.31 0.16 0.00 0.67 -4.96 105.19 104.38 2kiv n GLY 12 Ca -0.00 0.46 -0.11 0.00 0.00 0.00 0.00 46.02 46.37 2kiv n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kiv s LEU 13 N 0.00 0.51 -0.82 0.99 1.43 -1.16 -4.65 118.68 114.98 2kiv s LEU 13 Ca 0.00 -0.21 -0.23 0.00 -1.03 0.00 0.00 54.13 52.66 2kiv s LEU 13 Cb 0.00 1.71 -0.16 0.00 0.03 0.00 0.00 46.19 47.78 2kiv s LEU 13 CO 0.00 -0.76 1.91 -0.81 0.23 0.00 0.00 176.35 176.92 2kiv n PRO 14 N 0.12 1.43 0.00 1.29 -0.04 -1.26 -4.17 135.00 132.38 2kiv n PRO 14 Ca -0.17 -1.94 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 2kiv n PRO 14 Cb 0.62 -3.09 0.00 0.00 -0.04 0.00 0.00 33.50 30.99 2kiv n PRO 14 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2kiv n GLN 15 N 7.36 0.36 0.00 0.54 7.27 -1.26 -4.71 117.38 126.94 2kiv n GLN 15 Ca 0.48 -0.25 0.00 0.00 0.07 0.00 0.00 57.00 57.31 2kiv n GLN 15 Cb 0.42 -0.71 0.00 0.00 2.41 0.00 0.00 30.24 32.36 2kiv n GLN 15 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2kiv n TYR 16 N -0.12 0.00 0.19 3.69 4.02 -1.26 -4.80 117.16 118.87 2kiv n TYR 16 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 2kiv n TYR 16 Cb 0.08 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.33 2kiv n TYR 16 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2kiv h GLU 17 N 0.00 -0.48 -0.64 -0.72 4.81 -1.87 0.18 114.58 115.86 2kiv h GLU 17 Ca 0.00 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 2kiv h GLU 17 Cb 0.15 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.57 2kiv h GLU 17 CO 0.00 -0.32 0.28 -0.97 -0.73 0.00 0.00 179.01 177.27 2kiv h ASN 18 N -0.50 0.33 0.67 1.04 -0.73 -1.93 0.12 115.58 114.59 2kiv h ASN 18 Ca -0.02 0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.18 2kiv h ASN 18 Cb 0.43 0.02 0.01 0.00 0.27 0.00 0.00 38.32 39.04 2kiv h ASN 18 CO 0.01 0.20 -0.32 0.45 -0.37 0.00 0.00 177.43 177.39 2kiv h HIS 19 N 0.49 -0.83 0.07 0.67 3.86 -1.81 -0.06 115.15 117.54 2kiv h HIS 19 Ca 0.31 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.52 2kiv h HIS 19 Cb 0.35 0.28 -0.05 0.00 1.06 0.00 0.00 27.41 29.04 2kiv h HIS 19 CO -0.14 -0.48 -0.47 -0.07 0.86 0.00 0.00 177.93 177.63 2kiv h LEU 20 N -1.08 -1.41 -0.07 2.43 4.07 -0.41 0.30 115.31 119.13 2kiv h LEU 20 Ca -0.09 0.16 0.04 0.00 0.08 0.00 0.00 57.88 58.07 2kiv h LEU 20 Cb 0.72 0.53 -0.06 0.00 1.08 0.00 0.00 40.66 42.94 2kiv h LEU 20 CO 0.15 -0.51 -0.30 -0.03 -1.08 0.00 0.00 178.44 176.67 2kiv h MET 21 N -0.67 -0.40 -0.10 1.13 4.05 0.09 0.54 114.93 119.58 2kiv h MET 21 Ca 0.02 0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.49 2kiv h MET 21 Cb 0.71 0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.60 2kiv h MET 21 CO -0.29 -0.27 0.12 0.00 0.23 0.00 0.00 176.91 176.70 2kiv h ALA 22 N 0.39 1.62 -0.40 0.39 0.00 -0.65 0.24 119.26 120.85 2kiv h ALA 22 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2kiv h ALA 22 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kiv h ALA 22 CO -0.30 -0.17 0.00 -1.71 0.00 0.00 0.00 179.25 177.07 2kiv n ASN 23 N -3.71 3.10 0.00 0.00 2.85 0.10 -4.88 115.26 112.72 2kiv n ASN 23 Ca -0.01 -2.26 0.00 0.00 -0.11 0.00 0.00 54.58 52.20 2kiv n ASN 23 Cb 0.22 -0.45 0.00 0.00 1.24 0.00 0.00 39.78 40.80 2kiv n ASN 23 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kiv n GLY 24 N 0.83 3.14 2.95 8.20 0.00 0.85 -0.24 105.19 120.93 2kiv n GLY 24 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2kiv n GLY 24 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kiv n PHE 25 N -1.24 3.33 -0.03 1.61 3.72 0.17 -4.41 117.46 120.60 2kiv n PHE 25 Ca 0.00 -2.67 0.04 0.00 -0.05 0.00 0.00 57.45 54.77 2kiv n PHE 25 Cb 0.00 -2.40 -0.14 0.00 -0.94 0.00 0.00 39.48 36.00 2kiv n PHE 25 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2kiv n ASP 26 N 7.01 0.90 -4.36 4.37 5.68 -1.26 -1.75 116.55 127.14 2kiv n ASP 26 Ca 0.51 0.00 -0.34 0.00 -0.50 0.00 0.00 54.79 54.45 2kiv n ASP 26 Cb 0.41 1.55 -0.14 0.00 -1.14 0.00 0.00 41.12 41.80 2kiv n ASP 26 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 2kiv s ASN 27 N -4.36 4.36 0.57 -1.12 2.47 -1.26 -4.15 114.94 111.45 2kiv s ASN 27 Ca -0.07 -0.33 0.28 0.00 0.42 0.00 0.00 52.86 53.17 2kiv s ASN 27 Cb 0.10 -1.73 1.48 0.00 -1.45 0.00 0.00 41.25 39.65 2kiv s ASN 27 CO 0.73 0.05 1.95 0.58 -3.72 0.00 0.00 177.10 176.68 2kiv h VAL 28 N 5.54 0.51 -0.25 -5.21 2.07 -1.90 0.13 116.25 117.15 2kiv h VAL 28 Ca -0.37 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.21 2kiv h VAL 28 Cb 1.18 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2kiv h VAL 28 CO 0.60 0.00 0.17 -0.61 0.02 0.00 0.00 177.57 177.75 2kiv h GLN 29 N 0.00 0.10 0.00 1.57 4.15 -1.93 -0.04 115.11 118.95 2kiv h GLN 29 Ca 0.24 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 2kiv h GLN 29 Cb 1.12 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.79 2kiv h GLN 29 CO -0.00 0.06 -0.00 0.00 -1.93 0.00 0.00 178.83 176.96 2kiv h ALA 30 N 1.87 1.38 0.00 3.38 0.00 -1.14 -0.02 119.26 124.73 2kiv h ALA 30 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kiv h ALA 30 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kiv h ALA 30 CO -0.01 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 177.91 2kiv n MET 31 N -3.64 0.18 0.00 0.00 2.81 -0.03 -4.78 117.12 111.67 2kiv n MET 31 Ca -0.03 0.46 0.00 0.00 -1.81 0.00 0.00 57.70 56.33 2kiv n MET 31 Cb 0.08 -1.88 0.00 0.00 -0.71 0.00 0.00 33.22 30.72 2kiv n MET 31 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kiv n GLY 32 N -0.29 2.22 0.00 3.03 0.00 -0.02 -4.17 105.19 105.96 2kiv n GLY 32 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2kiv n GLY 32 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kiv n SER 33 N -0.21 3.01 -0.04 1.61 3.41 -1.26 -4.87 113.62 115.27 2kiv n SER 33 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 2kiv n SER 33 Cb 0.00 0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 2kiv n SER 33 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2kiv n ASN 34 N -1.99 3.13 -3.17 4.04 4.13 -1.26 -4.88 115.26 115.25 2kiv n ASN 34 Ca 0.00 -0.01 -0.21 0.00 1.68 0.00 0.00 54.58 56.04 2kiv n ASN 34 Cb 0.35 0.53 0.20 0.00 -1.54 0.00 0.00 39.78 39.32 2kiv n ASN 34 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 2kiv n VAL 35 N -2.38 0.00 -2.90 2.41 0.24 -1.26 -4.59 118.33 109.85 2kiv n VAL 35 Ca -0.13 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.15 2kiv n VAL 35 Cb 0.74 -0.67 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 2kiv n VAL 35 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 2kiv n MET 36 N -4.43 -1.44 -1.10 7.34 0.00 -1.26 -4.85 117.12 111.38 2kiv n MET 36 Ca 0.09 1.55 0.00 0.00 -0.00 0.00 0.00 57.70 59.35 2kiv n MET 36 Cb 0.41 -5.44 0.00 0.00 0.00 0.00 0.00 33.22 28.18 2kiv n MET 36 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2kiv n GLU 37 N -1.41 1.92 -0.26 2.12 2.13 -1.26 -4.86 120.64 119.02 2kiv n GLU 37 Ca 0.02 0.00 0.22 0.00 0.66 0.00 0.00 57.16 58.06 2kiv n GLU 37 Cb 0.48 0.00 0.55 0.00 0.27 0.00 0.00 31.44 32.74 2kiv n GLU 37 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 2kiv h ASP 38 N 0.00 0.35 0.80 4.31 2.03 -1.98 0.11 116.42 122.05 2kiv h ASP 38 Ca 0.00 0.05 -0.04 0.00 -0.73 0.00 0.00 57.03 56.31 2kiv h ASP 38 Cb 0.00 -0.02 0.01 0.00 -0.83 0.00 0.00 39.33 38.49 2kiv h ASP 38 CO 0.00 0.12 -0.39 1.56 -1.03 0.00 0.00 179.24 179.50 2kiv h GLN 39 N 0.34 -1.04 -0.74 4.15 4.20 -1.98 -0.36 115.11 119.68 2kiv h GLN 39 Ca 0.50 0.07 -0.06 0.00 0.06 0.00 0.00 58.65 59.23 2kiv h GLN 39 Cb 1.37 0.24 -0.03 0.00 0.30 0.00 0.00 27.48 29.35 2kiv h GLN 39 CO -0.18 -0.69 0.24 -0.44 -0.67 0.00 0.00 178.83 177.09 2kiv h ASP 40 N -1.09 1.07 -0.85 1.46 5.19 -1.68 0.25 116.42 120.77 2kiv h ASP 40 Ca -0.11 -0.19 0.04 0.00 -0.62 0.00 0.00 57.03 56.15 2kiv h ASP 40 Cb 0.83 -0.28 -0.05 0.00 0.18 0.00 0.00 39.33 40.01 2kiv h ASP 40 CO 0.18 0.98 0.54 0.25 -3.12 0.00 0.00 179.24 178.07 2kiv h LEU 41 N 1.10 0.88 0.00 1.55 5.85 -0.71 0.41 115.31 124.39 2kiv h LEU 41 Ca 0.24 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 2kiv h LEU 41 Cb 0.29 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2kiv h LEU 41 CO -0.01 0.59 -0.60 0.25 -0.34 0.00 0.00 178.44 178.33 2kiv h LEU 42 N 1.03 0.00 -0.46 2.25 5.85 -0.76 -3.29 115.31 119.93 2kiv h LEU 42 Ca 0.35 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.90 2kiv h LEU 42 Cb 0.06 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2kiv h LEU 42 CO -0.13 0.23 -0.76 -0.33 -0.34 0.00 0.00 178.44 177.10 2kiv h GLU 43 N 0.00 0.14 0.00 1.25 5.08 0.35 -3.37 114.58 118.03 2kiv h GLU 43 Ca -0.03 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2kiv h GLU 43 Cb 1.20 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2kiv h GLU 43 CO 0.03 0.83 0.00 -0.89 -1.00 0.00 0.00 179.01 177.98 2kiv n ILE 44 N -3.72 0.00 0.00 3.13 5.41 0.06 -4.97 119.36 119.27 2kiv n ILE 44 Ca -0.02 0.88 0.00 0.00 1.00 0.00 0.00 62.75 64.60 2kiv n ILE 44 Cb 0.73 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.96 2kiv n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kiv n GLY 45 N 0.40 -1.80 2.99 7.39 0.00 -1.25 -5.02 105.19 107.90 2kiv n GLY 45 Ca 0.00 0.71 -0.26 0.00 0.00 0.00 0.00 46.02 46.47 2kiv n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kiv s ILE 46 N 0.00 1.18 1.22 -0.61 -1.09 -1.24 -5.09 121.20 115.57 2kiv s ILE 46 Ca 0.00 -0.46 -0.18 0.00 -2.23 0.00 0.00 60.65 57.78 2kiv s ILE 46 Cb 0.00 -1.12 0.25 0.00 -1.58 0.00 0.00 42.46 40.02 2kiv s ILE 46 CO 0.00 0.38 0.56 0.00 -1.23 0.00 0.00 174.94 174.65 2kiv n LEU 47 N 4.25 -1.28 -4.89 2.97 -0.00 -1.26 -4.73 117.00 112.06 2kiv n LEU 47 Ca -0.19 -0.48 -0.27 0.00 -0.00 0.00 0.00 56.01 55.07 2kiv n LEU 47 Cb 0.51 -0.96 -0.04 0.00 -0.00 0.00 0.00 43.42 42.93 2kiv n LEU 47 CO 0.22 -3.71 -0.15 0.20 -0.00 0.00 0.00 177.39 173.96 2kiv s ASN 48 N -2.39 6.06 -1.27 1.45 -0.87 -1.26 -4.48 114.94 112.18 2kiv s ASN 48 Ca 0.55 0.09 -0.05 0.00 -1.57 0.00 0.00 52.86 51.88 2kiv s ASN 48 Cb -0.12 -1.76 -0.01 0.00 -0.02 0.00 0.00 41.25 39.34 2kiv s ASN 48 CO 0.52 0.08 0.68 -0.24 -2.57 0.00 0.00 177.10 175.57 2kiv n SER 49 N -0.28 -2.26 0.00 -1.22 2.88 -1.26 -4.85 113.62 106.63 2kiv n SER 49 Ca -0.07 -0.89 0.00 0.00 -1.33 0.00 0.00 58.87 56.58 2kiv n SER 49 Cb 0.54 -3.79 0.00 0.00 -0.75 0.00 0.00 64.21 60.20 2kiv n SER 49 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kiv n GLY 50 N -1.65 -0.17 0.11 0.46 0.00 -1.26 -4.96 105.19 97.72 2kiv n GLY 50 Ca -0.24 0.34 0.14 0.00 0.00 0.00 0.00 46.02 46.25 2kiv n GLY 50 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kiv n HIS 51 N 0.00 0.00 0.07 1.61 8.25 -1.26 -4.27 115.22 119.62 2kiv n HIS 51 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 2kiv n HIS 51 Cb 0.00 -0.21 -0.06 0.00 1.12 0.00 0.00 29.99 30.84 2kiv n HIS 51 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kiv h ARG 52 N 0.56 -0.43 -0.63 -0.41 3.08 -1.93 0.07 114.38 114.69 2kiv h ARG 52 Ca 0.00 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.20 2kiv h ARG 52 Cb 0.43 0.10 -0.09 0.00 0.08 0.00 0.00 29.97 30.48 2kiv h ARG 52 CO 0.00 -0.29 0.14 1.96 -1.07 0.00 0.00 179.97 180.72 2kiv h GLN 53 N -0.44 0.26 0.00 0.04 4.20 -1.97 0.24 115.11 117.43 2kiv h GLN 53 Ca -0.01 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2kiv h GLN 53 Cb 0.44 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2kiv h GLN 53 CO -0.16 0.17 0.00 0.54 -0.67 0.00 0.00 178.83 178.71 2kiv n ARG 54 N -5.13 0.00 -0.17 1.46 5.12 -0.93 -0.18 116.66 116.83 2kiv n ARG 54 Ca 0.10 0.66 -0.01 0.00 -1.93 0.00 0.00 57.85 56.66 2kiv n ARG 54 Cb 0.35 -1.49 0.07 0.00 -1.16 0.00 0.00 32.46 30.24 2kiv n ARG 54 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2kiv h ILE 55 N 0.00 0.59 0.04 0.55 2.04 -0.82 -1.24 117.51 118.67 2kiv h ILE 55 Ca 0.00 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.84 2kiv h ILE 55 Cb 0.00 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 2kiv h ILE 55 CO 0.00 0.02 -0.47 -0.07 0.00 0.00 0.00 178.15 177.63 2kiv h LEU 56 N 0.13 -1.43 -0.49 1.44 3.38 -0.37 0.29 115.31 118.26 2kiv h LEU 56 Ca 0.27 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.50 2kiv h LEU 56 Cb 0.41 0.54 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 2kiv h LEU 56 CO -0.44 -0.50 0.02 1.56 0.09 0.00 0.00 178.44 179.17 2kiv h GLN 57 N -0.65 0.13 -0.50 1.13 4.20 -0.05 0.15 115.11 119.52 2kiv h GLN 57 Ca 0.03 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.75 2kiv h GLN 57 Cb 0.70 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 2kiv h GLN 57 CO -0.31 0.09 0.30 0.00 -0.67 0.00 0.00 178.83 178.23 2kiv h ALA 58 N 1.43 0.64 -0.45 3.87 0.00 -0.58 -0.31 119.26 123.86 2kiv h ALA 58 Ca 0.25 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2kiv h ALA 58 Cb 0.37 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2kiv h ALA 58 CO -0.39 -0.00 0.04 0.82 0.00 0.00 0.00 179.25 179.72 2kiv h ILE 59 N 0.60 1.22 -0.34 0.00 1.08 0.59 0.57 117.51 121.23 2kiv h ILE 59 Ca 0.20 -0.87 -0.14 0.00 -0.39 0.00 0.00 64.86 63.66 2kiv h ILE 59 Cb 0.02 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 2kiv h ILE 59 CO -0.09 0.31 -0.35 1.56 -0.69 0.00 0.00 178.15 178.89 2kiv h GLN 60 N 0.68 0.77 0.00 2.37 1.08 -0.12 -3.38 115.11 116.51 2kiv h GLN 60 Ca 0.14 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 2kiv h GLN 60 Cb 0.36 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 2kiv h GLN 60 CO 0.01 1.00 0.00 1.28 -0.95 0.00 0.00 178.83 180.17 2kiv n LEU 61 N -4.06 0.47 -3.49 1.46 4.77 -0.18 -5.02 117.00 110.94 2kiv n LEU 61 Ca -0.01 0.23 -0.27 0.00 -0.03 0.00 0.00 56.01 55.93 2kiv n LEU 61 Cb 0.51 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 2kiv n LEU 61 CO 0.46 -0.37 -0.17 0.18 -1.33 0.00 0.00 177.39 176.16 2kiv n LEU 62 N -1.86 -3.33 -4.45 2.23 4.77 0.20 -4.72 117.00 109.83 2kiv n LEU 62 Ca 0.00 -0.35 -0.30 0.00 -0.03 0.00 0.00 56.01 55.32 2kiv n LEU 62 Cb 0.00 -1.98 -0.06 0.00 -2.33 0.00 0.00 43.42 39.05 2kiv n LEU 62 CO 0.00 -0.25 1.58 -0.81 -1.33 0.00 0.00 177.39 176.58 2kiv n PRO 63 N -1.20 1.58 -3.15 3.23 -0.04 -1.26 -4.76 135.00 129.39 2kiv n PRO 63 Ca -0.14 -2.38 0.04 0.00 -0.04 0.00 0.00 63.50 60.98 2kiv n PRO 63 Cb 0.65 -3.62 -0.01 0.00 -0.04 0.00 0.00 33.50 30.48 2kiv n PRO 63 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kiv s LYS 64 N 6.29 0.54 -0.03 0.54 1.02 -1.26 -5.16 119.74 121.68 2kiv s LYS 64 Ca 0.67 0.86 0.05 0.00 0.02 0.00 0.00 55.97 57.57 2kiv s LYS 64 Cb 0.01 0.46 -0.01 0.00 -0.52 0.00 0.00 37.83 37.78 2kiv s LYS 64 CO 0.14 -0.68 -0.18 1.41 -0.92 0.00 0.00 175.35 175.12 2kiv s MET 65 N 2.86 1.61 -0.41 1.68 1.75 -1.26 -5.08 119.30 120.45 2kiv s MET 65 Ca 0.17 -0.64 0.08 0.00 -1.25 0.00 0.00 55.69 54.06 2kiv s MET 65 Cb -0.13 -1.48 0.25 0.00 2.84 0.00 0.00 34.83 36.30 2kiv s MET 65 CO -0.21 0.33 0.54 0.54 -0.65 0.00 0.00 175.02 175.57 2kiv n ARG 66 N 2.84 0.84 0.00 4.11 1.74 -1.26 -4.93 116.66 120.00 2kiv n ARG 66 Ca -0.16 -3.33 0.07 0.00 -0.77 0.00 0.00 57.85 53.66 2kiv n ARG 66 Cb 0.53 -1.29 0.31 0.00 -1.02 0.00 0.00 32.46 31.00 2kiv n ARG 66 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2kiv n PRO 67 N 1.37 0.01 -4.37 5.56 -0.04 -1.26 -4.72 135.00 131.55 2kiv n PRO 67 Ca 0.22 0.26 -0.27 0.00 -0.04 0.00 0.00 63.50 63.67 2kiv n PRO 67 Cb 0.52 -1.51 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 2kiv n PRO 67 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2kiv s ILE 68 N -3.01 2.72 0.00 0.52 -0.00 -1.26 -5.04 121.20 115.13 2kiv s ILE 68 Ca 0.07 -1.87 0.00 0.00 -0.00 0.00 0.00 60.65 58.85 2kiv s ILE 68 Cb 0.09 -2.32 0.00 0.00 -0.00 0.00 0.00 42.46 40.23 2kiv s ILE 68 CO 0.27 -0.11 0.00 0.61 -0.00 0.00 0.00 174.94 175.70 2kiv n GLY 69 N 0.17 -0.03 3.70 6.27 0.00 -1.26 -5.11 105.19 108.93 2kiv n GLY 69 Ca -0.12 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 2kiv n GLY 69 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kiv s HIS 70 N 0.00 3.19 0.27 1.61 2.46 -1.26 -5.12 115.29 116.44 2kiv s HIS 70 Ca 0.00 0.21 0.05 0.00 0.47 0.00 0.00 55.06 55.79 2kiv s HIS 70 Cb 0.00 -1.78 -0.06 0.00 -0.13 0.00 0.00 32.58 30.61 2kiv s HIS 70 CO 0.00 0.49 -0.02 -0.51 -2.47 0.00 0.00 174.74 172.24 2kiv s ASP 71 N -1.02 2.35 0.00 9.88 1.01 -1.26 -5.09 116.67 122.54 2kiv s ASP 71 Ca 0.15 -1.23 0.00 0.00 0.71 0.00 0.00 52.55 52.17 2kiv s ASP 71 Cb -0.11 -0.09 0.00 0.00 1.01 0.00 0.00 42.92 43.73 2kiv s ASP 71 CO 0.04 -0.45 0.00 0.61 0.21 0.00 0.00 175.17 175.58 2kiv n GLY 72 N -0.54 2.06 2.77 0.21 0.00 -1.26 -5.15 105.19 103.28 2kiv n GLY 72 Ca -0.05 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 2kiv n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kiv s ALA 73 N 0.00 0.62 -0.40 4.61 0.00 -1.26 -5.06 121.76 120.27 2kiv s ALA 73 Ca 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 51.96 51.98 2kiv s ALA 73 Cb 0.00 -0.68 0.27 0.00 0.00 0.00 0.00 23.12 22.71 2kiv s ALA 73 CO 0.00 -0.40 0.57 0.72 0.00 0.00 0.00 175.76 176.65 2kiv n HIS 74 N 5.01 -0.03 -2.04 0.00 8.25 -1.26 -5.08 115.22 120.07 2kiv n HIS 74 Ca -0.09 -3.64 -0.38 0.00 -0.26 0.00 0.00 57.72 53.35 2kiv n HIS 74 Cb 0.50 -0.37 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 2kiv n HIS 74 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2kiv s PRO 75 N -1.46 2.62 -0.20 -0.41 0.04 -1.26 -4.78 135.00 129.54 2kiv s PRO 75 Ca 0.36 0.59 0.07 0.00 0.04 0.00 0.00 61.00 62.07 2kiv s PRO 75 Cb 0.20 -4.40 -0.21 0.00 0.04 0.00 0.00 34.50 30.12 2kiv s PRO 75 CO -0.10 -2.75 0.02 0.25 0.04 0.00 0.00 177.00 174.46 2kiv n THR 76 N 7.23 1.50 -4.34 1.26 -2.24 -1.26 -4.88 114.28 111.54 2kiv n THR 76 Ca 0.21 -0.70 -0.20 0.00 -2.27 0.00 0.00 64.05 61.09 2kiv n THR 76 Cb 0.52 -1.10 -0.09 0.00 -2.10 0.00 0.00 70.33 67.56 2kiv n THR 76 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kiv s SER 77 N -6.20 1.71 0.29 3.42 0.01 -1.26 -4.64 113.70 107.01 2kiv s SER 77 Ca -0.22 -1.64 0.03 0.00 1.31 0.00 0.00 55.95 55.42 2kiv s SER 77 Cb 0.08 0.47 0.63 0.00 0.21 0.00 0.00 66.02 67.40 2kiv s SER 77 CO 0.72 -0.95 1.80 0.58 0.41 0.00 0.00 173.24 175.79 2kiv h VAL 78 N 2.14 0.79 0.00 3.43 2.07 -1.82 0.82 116.25 123.68 2kiv h VAL 78 Ca -0.31 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2kiv h VAL 78 Cb 1.25 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2kiv h VAL 78 CO 0.47 0.15 0.00 0.00 0.02 0.00 0.00 177.57 178.21 2kiv n ALA 79 N -2.35 -0.36 -0.22 1.67 0.00 -1.26 -0.93 120.51 117.06 2kiv n ALA 79 Ca 0.20 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.91 2kiv n ALA 79 Cb 0.46 0.04 0.65 0.00 0.00 0.00 0.00 19.45 20.61 2kiv n ALA 79 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kiv h GLU 80 N 0.00 0.13 0.63 0.00 4.39 -1.90 0.18 114.58 118.01 2kiv h GLU 80 Ca 0.00 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2kiv h GLU 80 Cb 0.00 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2kiv h GLU 80 CO 0.00 0.09 -0.30 2.35 -1.16 0.00 0.00 179.01 179.99 2kiv h TRP 81 N 0.14 -0.78 0.00 4.33 7.01 -0.62 -2.90 115.95 123.13 2kiv h TRP 81 Ca 0.46 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.43 2kiv h TRP 81 Cb 1.60 0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 28.92 2kiv h TRP 81 CO -0.00 -0.45 -0.07 -0.07 -2.79 0.00 0.00 178.44 175.06 2kiv h LEU 82 N -0.99 0.00 -1.53 0.65 3.38 0.02 -2.93 115.31 113.91 2kiv h LEU 82 Ca -0.09 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.01 2kiv h LEU 82 Cb 0.69 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 2kiv h LEU 82 CO 0.14 0.07 0.48 -0.78 0.09 0.00 0.00 178.44 178.45 2kiv h ASP 83 N 0.00 0.45 -0.50 -0.43 3.58 -0.47 0.25 116.42 119.30 2kiv h ASP 83 Ca -0.00 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 2kiv h ASP 83 Cb 0.53 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.46 2kiv h ASP 83 CO 0.01 0.25 0.09 -0.24 -2.88 0.00 0.00 179.24 176.47 2kiv n SER 84 N -4.49 4.44 -0.66 2.28 2.88 -1.10 -3.93 113.62 113.04 2kiv n SER 84 Ca 0.13 -2.80 0.03 0.00 -1.33 0.00 0.00 58.87 54.90 2kiv n SER 84 Cb 0.45 -0.66 0.05 0.00 -0.75 0.00 0.00 64.21 63.29 2kiv n SER 84 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2kiv n ILE 85 N 0.26 0.57 -1.86 2.46 5.41 0.82 -4.97 119.36 122.05 2kiv n ILE 85 Ca 0.26 -0.98 -0.17 0.00 1.00 0.00 0.00 62.75 62.86 2kiv n ILE 85 Cb 1.05 0.40 -0.05 0.00 -0.71 0.00 0.00 39.64 40.34 2kiv n ILE 85 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2kiv n GLU 86 N -0.27 -1.59 -4.78 0.38 4.71 -1.18 -4.94 120.64 112.97 2kiv n GLU 86 Ca 0.06 0.95 -0.26 0.00 -0.01 0.00 0.00 57.16 57.90 2kiv n GLU 86 Cb 0.79 -5.39 -0.16 0.00 -1.01 0.00 0.00 31.44 25.67 2kiv n GLU 86 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2kiv s LEU 87 N -4.89 1.81 0.00 -4.62 1.43 -0.85 -4.99 118.68 106.57 2kiv s LEU 87 Ca 0.00 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 2kiv s LEU 87 Cb 0.00 -0.97 0.00 0.00 0.03 0.00 0.00 46.19 45.25 2kiv s LEU 87 CO 0.00 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.29 2kiv n GLY 88 N 3.54 0.00 0.37 -3.19 0.00 -1.26 -3.16 105.19 101.49 2kiv n GLY 88 Ca -0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.93 2kiv n GLY 88 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kiv h ASP 89 N 0.00 0.66 -0.76 1.61 1.82 -1.98 0.35 116.42 118.12 2kiv h ASP 89 Ca 0.00 0.04 0.20 0.00 -0.39 0.00 0.00 57.03 56.88 2kiv h ASP 89 Cb 0.13 -0.09 -0.04 0.00 0.68 0.00 0.00 39.33 40.01 2kiv h ASP 89 CO 0.00 0.34 0.53 1.88 -1.61 0.00 0.00 179.24 180.38 2kiv h TYR 90 N 0.70 0.18 -1.07 0.28 0.05 -2.00 -0.42 116.97 114.69 2kiv h TYR 90 Ca 0.44 0.01 0.28 0.00 0.05 0.00 0.00 58.73 59.51 2kiv h TYR 90 Cb 0.69 -0.05 -0.10 0.00 1.01 0.00 0.00 36.73 38.28 2kiv h TYR 90 CO -0.00 0.05 0.69 1.15 -1.05 0.00 0.00 178.16 179.00 2kiv h THR 91 N 0.14 0.48 0.65 -2.88 2.02 -1.26 0.20 112.91 112.26 2kiv h THR 91 Ca 0.37 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 2kiv h THR 91 Cb 1.26 0.10 0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2kiv h THR 91 CO -0.06 0.06 -0.31 0.50 0.37 0.00 0.00 175.52 176.09 2kiv h LYS 92 N 0.35 -0.84 -0.61 6.66 1.63 -1.24 -0.77 116.57 121.75 2kiv h LYS 92 Ca 0.61 0.06 0.05 0.00 -0.85 0.00 0.00 60.65 60.52 2kiv h LYS 92 Cb 1.63 0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 33.40 2kiv h LYS 92 CO -0.30 -0.52 0.34 0.00 -3.45 0.00 0.00 179.45 175.52 2kiv h ALA 93 N -1.01 0.80 -0.14 5.00 0.00 -1.39 -1.24 119.26 121.28 2kiv h ALA 93 Ca -0.09 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2kiv h ALA 93 Cb 0.70 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2kiv h ALA 93 CO 0.15 0.04 0.03 0.74 0.00 0.00 0.00 179.25 180.20 2kiv h PHE 94 N 0.66 0.06 0.57 0.00 -1.00 -0.66 0.18 116.94 116.74 2kiv h PHE 94 Ca 0.26 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 61.03 2kiv h PHE 94 Cb 0.12 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 2kiv h PHE 94 CO -0.08 0.02 -0.38 -0.07 -1.61 0.00 0.00 178.31 176.20 2kiv h LEU 95 N 0.09 -0.96 -2.15 1.54 3.38 -0.75 -0.22 115.31 116.24 2kiv h LEU 95 Ca 0.06 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2kiv h LEU 95 Cb 0.05 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2kiv h LEU 95 CO -0.07 -0.58 0.08 0.16 0.09 0.00 0.00 178.44 178.12 2kiv h ILE 96 N -0.91 0.76 0.00 1.22 3.07 -1.15 0.12 117.51 120.62 2kiv h ILE 96 Ca -0.07 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.34 2kiv h ILE 96 Cb 0.75 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.24 2kiv h ILE 96 CO 0.05 0.00 0.00 0.78 -1.05 0.00 0.00 178.15 177.93 2kiv h ASN 97 N 0.00 0.00 0.00 2.16 2.35 0.03 -3.46 115.58 116.66 2kiv h ASN 97 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2kiv h ASN 97 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2kiv h ASN 97 CO -0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 2kiv n GLY 98 N 0.33 1.76 2.44 2.83 0.00 0.40 -5.00 105.19 107.95 2kiv n GLY 98 Ca 0.02 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 2kiv n GLY 98 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kiv n TYR 99 N -1.29 1.82 0.00 1.61 4.01 -0.16 -4.70 117.16 118.46 2kiv n TYR 99 Ca 0.00 -2.04 0.00 0.00 -0.16 0.00 0.00 57.90 55.70 2kiv n TYR 99 Cb 0.02 -1.30 0.00 0.00 -0.31 0.00 0.00 39.34 37.75 2kiv n TYR 99 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2kiv n THR 100 N 0.54 0.00 -2.07 -0.72 -2.24 -1.26 -4.64 114.28 103.89 2kiv n THR 100 Ca 0.47 1.04 -0.42 0.00 -2.27 0.00 0.00 64.05 62.87 2kiv n THR 100 Cb 0.52 -1.94 -0.03 0.00 -2.10 0.00 0.00 70.33 66.78 2kiv n THR 100 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kiv s SER 101 N -1.99 6.72 0.42 3.42 0.15 -1.26 -4.64 113.70 116.52 2kiv s SER 101 Ca 0.00 2.36 0.18 0.00 0.70 0.00 0.00 55.95 59.20 2kiv s SER 101 Cb 0.00 -2.57 1.10 0.00 -1.71 0.00 0.00 66.02 62.84 2kiv s SER 101 CO 0.00 -0.78 1.84 -0.03 1.20 0.00 0.00 173.24 175.47 2kiv h MET 102 N 7.61 0.38 -1.33 5.44 4.05 -1.83 0.79 114.93 130.04 2kiv h MET 102 Ca -0.41 -0.02 0.39 0.00 -0.28 0.00 0.00 59.70 59.37 2kiv h MET 102 Cb 1.20 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.86 2kiv h MET 102 CO 0.90 0.25 0.96 -0.44 0.23 0.00 0.00 176.91 178.81 2kiv h ASP 103 N 0.39 0.00 -0.56 1.39 5.19 -1.96 0.11 116.42 120.98 2kiv h ASP 103 Ca 0.49 0.00 0.11 0.00 -0.62 0.00 0.00 57.03 57.01 2kiv h ASP 103 Cb 1.26 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.68 2kiv h ASP 103 CO -0.19 0.00 0.05 -0.07 -3.12 0.00 0.00 179.24 175.91 2kiv h LEU 104 N 0.00 -0.14 -2.22 1.55 -0.00 -1.21 0.31 115.31 113.59 2kiv h LEU 104 Ca 0.63 0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 58.62 2kiv h LEU 104 Cb 2.54 0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 43.40 2kiv h LEU 104 CO -0.01 -0.05 -0.06 -0.07 -0.00 0.00 0.00 178.44 178.26 2kiv h LEU 105 N 0.17 0.00 -1.54 1.67 3.38 -0.98 -0.78 115.31 117.23 2kiv h LEU 105 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2kiv h LEU 105 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2kiv h LEU 105 CO -0.43 0.06 0.00 0.50 0.09 0.00 0.00 178.44 178.65 2kiv h LYS 106 N 0.00 0.00 -1.41 1.13 3.64 -0.43 -3.01 116.57 116.49 2kiv h LYS 106 Ca -0.00 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.87 2kiv h LYS 106 Cb 0.15 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.56 2kiv h LYS 106 CO 0.01 0.00 -0.90 1.17 -2.27 0.00 0.00 179.45 177.46 2kiv n LYS 107 N -2.71 2.58 -5.14 1.90 4.81 -0.30 -5.06 118.16 114.24 2kiv n LYS 107 Ca 0.00 -4.08 -0.32 0.00 -0.87 0.00 0.00 58.31 53.04 2kiv n LYS 107 Cb 0.20 -1.90 -0.15 0.00 0.02 0.00 0.00 35.03 33.19 2kiv n LYS 107 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2kiv s ILE 108 N -4.57 2.38 0.32 3.15 -1.09 -1.14 -5.03 121.20 115.21 2kiv s ILE 108 Ca 0.41 -0.95 0.08 0.00 -2.23 0.00 0.00 60.65 57.95 2kiv s ILE 108 Cb 0.41 -1.89 -0.04 0.00 -1.58 0.00 0.00 42.46 39.36 2kiv s ILE 108 CO -0.11 0.57 0.18 0.00 -1.23 0.00 0.00 174.94 174.35 2kiv s ALA 109 N -0.25 3.58 0.00 9.38 0.00 -1.26 -4.98 121.76 128.23 2kiv s ALA 109 Ca -0.00 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.23 2kiv s ALA 109 Cb -0.13 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.07 2kiv s ALA 109 CO 0.03 0.07 0.72 0.39 0.00 0.00 0.00 175.76 176.97 2kiv n GLU 110 N -1.20 0.00 -0.31 0.00 -0.58 -1.26 -1.33 120.64 115.96 2kiv n GLU 110 Ca -0.03 0.55 0.30 0.00 -0.42 0.00 0.00 57.16 57.55 2kiv n GLU 110 Cb 0.60 -1.22 0.65 0.00 -0.57 0.00 0.00 31.44 30.90 2kiv n GLU 110 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 2kiv h VAL 111 N 0.00 0.46 0.32 2.62 3.04 -1.97 0.17 116.25 120.88 2kiv h VAL 111 Ca 0.00 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.62 2kiv h VAL 111 Cb 0.00 0.28 -0.01 0.00 -2.01 0.00 0.00 31.29 29.55 2kiv h VAL 111 CO 0.00 0.03 -0.32 -0.08 -1.01 0.00 0.00 177.57 176.19 2kiv h GLU 112 N 0.16 -0.62 0.00 4.17 4.57 -1.60 0.26 114.58 121.53 2kiv h GLU 112 Ca 0.57 0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.75 2kiv h GLU 112 Cb 1.92 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 30.64 2kiv h GLU 112 CO -0.14 -0.41 -0.21 1.37 -1.18 0.00 0.00 179.01 178.44 2kiv h LEU 113 N -0.64 0.00 -0.95 1.64 -0.00 -0.39 0.27 115.31 115.24 2kiv h LEU 113 Ca -0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.76 2kiv h LEU 113 Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.20 2kiv h LEU 113 CO -0.04 0.21 -0.38 0.40 -0.00 0.00 0.00 178.44 178.64 2kiv h ILE 114 N 0.00 0.90 0.00 0.15 2.04 -0.56 0.14 117.51 120.18 2kiv h ILE 114 Ca -0.00 -1.52 -0.14 0.00 1.00 0.00 0.00 64.86 64.20 2kiv h ILE 114 Cb 0.54 1.92 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 2kiv h ILE 114 CO 0.03 0.37 -2.06 -3.20 0.00 0.00 0.00 178.15 173.28 2kiv n ASN 115 N -3.55 0.43 -0.08 1.72 5.15 0.89 -3.23 115.26 116.58 2kiv n ASN 115 Ca -0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 2kiv n ASN 115 Cb 0.51 1.51 -0.05 0.00 -0.53 0.00 0.00 39.78 41.22 2kiv n ASN 115 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2kiv h VAL 116 N 0.00 0.42 0.00 3.44 2.07 -0.46 -3.38 116.25 118.34 2kiv h VAL 116 Ca -0.21 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 65.84 2kiv h VAL 116 Cb 1.43 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 2kiv h VAL 116 CO 0.01 0.14 -0.28 -0.07 0.02 0.00 0.00 177.57 177.40 2kiv h LEU 117 N -1.00 0.00 -0.21 2.57 -0.00 -0.93 -3.48 115.31 112.26 2kiv h LEU 117 Ca -0.11 -0.05 -0.44 0.00 -0.00 0.00 0.00 57.88 57.28 2kiv h LEU 117 Cb 0.71 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.30 2kiv h LEU 117 CO -0.06 0.03 -0.67 0.29 -0.00 0.00 0.00 178.44 178.02 2kiv n LYS 118 N -2.50 -4.25 0.33 1.13 5.02 -0.97 -4.89 118.16 112.03 2kiv n LYS 118 Ca 0.04 0.54 -0.13 0.00 -2.02 0.00 0.00 58.31 56.74 2kiv n LYS 118 Cb 0.47 -5.33 -0.06 0.00 -0.02 0.00 0.00 35.03 30.09 2kiv n LYS 118 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2kiv h ILE 119 N -1.49 0.00 -5.70 -0.18 2.04 -1.74 -3.47 117.51 106.97 2kiv h ILE 119 Ca -0.52 -0.09 -0.43 0.00 1.00 0.00 0.00 64.86 64.82 2kiv h ILE 119 Cb 1.34 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 2kiv h ILE 119 CO 0.62 0.00 -0.65 -3.20 0.00 0.00 0.00 178.15 174.92 2kiv n ASN 120 N -4.55 -4.44 -3.89 1.72 2.85 -1.26 -4.95 115.26 100.73 2kiv n ASN 120 Ca -0.11 -0.56 -0.26 0.00 -0.11 0.00 0.00 54.58 53.55 2kiv n ASN 120 Cb 0.34 -3.60 -0.17 0.00 1.24 0.00 0.00 39.78 37.58 2kiv n ASN 120 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2kiv s LEU 121 N -6.85 1.13 0.12 1.20 2.96 -1.26 -5.03 118.68 110.94 2kiv s LEU 121 Ca 0.51 -0.25 -0.22 0.00 -0.22 0.00 0.00 54.13 53.94 2kiv s LEU 121 Cb -0.26 -0.75 -0.06 0.00 0.50 0.00 0.00 46.19 45.62 2kiv s LEU 121 CO 0.62 -0.11 1.69 0.40 -1.32 0.00 0.00 176.35 177.63 2kiv h ILE 122 N 6.18 0.74 0.16 6.68 1.08 -1.92 0.34 117.51 130.77 2kiv h ILE 122 Ca -0.29 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.20 2kiv h ILE 122 Cb 1.14 0.74 -0.04 0.00 -3.07 0.00 0.00 36.82 35.59 2kiv h ILE 122 CO 0.39 0.00 -0.38 1.23 -0.69 0.00 0.00 178.15 178.71 2kiv h GLY 123 N -0.12 -0.77 0.92 5.37 0.00 -0.86 0.30 103.07 107.91 2kiv h GLY 123 Ca 0.06 0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.80 2kiv h GLY 123 CO -0.15 -0.27 -0.42 0.45 0.00 0.00 0.00 176.54 176.15 2kiv h HIS 124 N -0.64 -1.09 -0.69 5.60 3.86 -1.73 -1.28 115.15 119.19 2kiv h HIS 124 Ca 0.02 -0.03 0.20 0.00 -1.16 0.00 0.00 60.37 59.40 2kiv h HIS 124 Cb 0.65 0.36 -0.03 0.00 1.06 0.00 0.00 27.41 29.45 2kiv h HIS 124 CO -0.31 -0.67 0.61 0.07 0.86 0.00 0.00 177.93 178.48 2kiv h ARG 125 N -1.27 0.00 0.22 2.45 -0.00 -0.30 -0.24 114.38 115.24 2kiv h ARG 125 Ca -0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.85 2kiv h ARG 125 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.88 2kiv h ARG 125 CO 0.20 0.00 -0.10 -0.22 -0.00 0.00 0.00 179.97 179.84 2kiv h LYS 126 N 0.00 -0.28 -1.00 0.08 1.63 -0.00 -0.46 116.57 116.54 2kiv h LYS 126 Ca 0.33 0.02 0.19 0.00 -0.85 0.00 0.00 60.65 60.33 2kiv h LYS 126 Cb 1.53 0.06 -0.10 0.00 -0.60 0.00 0.00 32.23 33.12 2kiv h LYS 126 CO -0.00 -0.19 0.61 0.00 -3.45 0.00 0.00 179.45 176.42 2kiv h ARG 127 N -0.82 0.72 0.06 1.90 3.08 -0.60 -0.54 114.38 118.18 2kiv h ARG 127 Ca -0.03 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 2kiv h ARG 127 Cb 0.22 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2kiv h ARG 127 CO 0.05 0.47 -0.03 0.82 -1.07 0.00 0.00 179.97 180.21 2kiv h ILE 128 N 0.74 1.25 -0.64 2.04 2.04 -1.16 0.53 117.51 122.31 2kiv h ILE 128 Ca 0.57 -1.20 0.13 0.00 1.00 0.00 0.00 64.86 65.35 2kiv h ILE 128 Cb 0.92 2.02 -0.09 0.00 -0.74 0.00 0.00 36.82 38.92 2kiv h ILE 128 CO -0.36 0.29 0.13 0.25 0.00 0.00 0.00 178.15 178.46 2kiv h LEU 129 N -0.63 -0.03 -0.28 1.44 5.85 -0.27 0.19 115.31 121.58 2kiv h LEU 129 Ca -0.01 0.13 -0.20 0.00 0.84 0.00 0.00 57.88 58.63 2kiv h LEU 129 Cb 0.54 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.75 2kiv h LEU 129 CO 0.01 -0.02 -0.77 0.00 -0.34 0.00 0.00 178.44 177.33 2kiv h ALA 130 N 1.53 0.46 -0.51 1.25 0.00 -1.17 0.25 119.26 121.06 2kiv h ALA 130 Ca 0.34 -0.61 0.03 0.00 0.00 0.00 0.00 54.91 54.67 2kiv h ALA 130 Cb 0.54 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2kiv h ALA 130 CO -0.45 0.73 0.34 1.03 0.00 0.00 0.00 179.25 180.90 2kiv h SER 131 N 0.39 0.51 0.00 0.00 0.87 0.46 -3.23 113.55 112.54 2kiv h SER 131 Ca -0.04 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.34 2kiv h SER 131 Cb 1.37 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.19 2kiv h SER 131 CO 0.14 0.35 -1.21 0.18 -0.53 0.00 0.00 176.83 175.77 2kiv n LEU 132 N -4.47 1.87 0.00 2.23 4.77 -0.08 -5.07 117.00 116.26 2kiv n LEU 132 Ca 0.06 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 2kiv n LEU 132 Cb 0.13 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 2kiv n LEU 132 CO 0.35 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2kiv n GLY 133 N 1.46 3.56 3.45 -0.72 0.00 0.86 -5.10 105.19 108.70 2kiv n GLY 133 Ca -0.26 -1.77 -0.22 0.00 0.00 0.00 0.00 46.02 43.77 2kiv n GLY 133 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kiv s ASP 134 N 0.00 2.34 0.00 1.61 1.47 -1.26 -4.81 116.67 116.02 2kiv s ASP 134 Ca 0.00 -1.44 0.00 0.00 1.18 0.00 0.00 52.55 52.29 2kiv s ASP 134 Cb 0.00 0.07 0.00 0.00 -0.34 0.00 0.00 42.92 42.65 2kiv s ASP 134 CO 0.00 -0.69 0.29 -2.11 0.68 0.00 0.00 175.17 173.34