#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 1.27 -0.03 7.34 2.00 -1.26 -5.17 119.66 123.80 2kiv s GLN 2 Ca 0.00 -0.71 -0.01 0.00 -2.00 0.00 0.00 55.36 52.64 2kiv s GLN 2 Cb 0.00 0.53 0.03 0.00 0.80 0.00 0.00 33.01 34.36 2kiv s GLN 2 CO 0.00 -0.53 0.06 0.99 -0.50 0.00 0.00 175.29 175.31 2kiv s THR 3 N -3.82 -0.04 0.37 -0.34 2.01 -1.26 -4.60 115.64 107.95 2kiv s THR 3 Ca 0.05 0.16 0.08 0.00 0.31 0.00 0.00 61.69 62.29 2kiv s THR 3 Cb -0.00 -0.12 0.31 0.00 0.01 0.00 0.00 72.50 72.70 2kiv s THR 3 CO -0.08 0.07 1.92 0.58 -0.69 0.00 0.00 174.62 176.42 2kiv h VAL 4 N 5.97 0.93 0.66 3.82 2.07 -1.94 -1.05 116.25 126.71 2kiv h VAL 4 Ca -0.40 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 2kiv h VAL 4 Cb 1.14 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2kiv h VAL 4 CO 0.47 0.13 -0.44 1.23 0.02 0.00 0.00 177.57 178.97 2kiv h GLY 5 N 0.70 -1.18 0.91 2.17 0.00 -1.96 0.26 103.07 103.97 2kiv h GLY 5 Ca 0.37 0.50 -0.01 0.00 0.00 0.00 0.00 47.33 48.19 2kiv h GLY 5 CO -0.14 -0.40 -0.06 1.46 0.00 0.00 0.00 176.54 177.39 2kiv h GLN 6 N -1.05 -0.17 0.32 4.80 1.08 -1.92 -0.60 115.11 117.56 2kiv h GLN 6 Ca -0.08 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2kiv h GLN 6 Cb 0.86 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.30 2kiv h GLN 6 CO 0.06 -0.03 -0.45 2.35 -0.95 0.00 0.00 178.83 179.81 2kiv h TRP 7 N -0.27 -1.27 -0.74 2.96 7.01 -1.18 0.43 115.95 122.88 2kiv h TRP 7 Ca -0.02 0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.13 2kiv h TRP 7 Cb 0.22 0.51 -0.09 0.00 -2.10 0.00 0.00 29.16 27.70 2kiv h TRP 7 CO -0.04 -0.56 0.30 1.25 -2.79 0.00 0.00 178.44 176.60 2kiv h LEU 8 N -0.80 0.29 -1.38 0.65 5.85 -0.50 0.11 115.31 119.53 2kiv h LEU 8 Ca -0.04 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2kiv h LEU 8 Cb 0.73 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 2kiv h LEU 8 CO -0.12 0.12 0.43 -0.08 -0.34 0.00 0.00 178.44 178.44 2kiv h GLU 9 N 0.45 0.81 0.39 1.25 4.81 -0.62 0.14 114.58 121.81 2kiv h GLU 9 Ca 0.40 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 2kiv h GLU 9 Cb 0.59 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2kiv h GLU 9 CO -0.39 0.53 -0.19 1.03 -0.73 0.00 0.00 179.01 179.27 2kiv h SER 10 N 0.83 -0.44 -0.00 1.04 0.87 0.14 -3.17 113.55 112.82 2kiv h SER 10 Ca 0.25 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2kiv h SER 10 Cb -0.03 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2kiv h SER 10 CO -0.06 -0.01 0.00 0.16 -0.53 0.00 0.00 176.83 176.39 2kiv h ILE 11 N -1.02 0.57 0.00 2.23 3.07 -1.05 -3.45 117.51 117.87 2kiv h ILE 11 Ca -0.05 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.36 2kiv h ILE 11 Cb 0.52 1.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.07 2kiv h ILE 11 CO 0.09 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.80 2kiv n GLY 12 N -1.34 0.63 3.37 0.16 0.00 0.48 -4.98 105.19 103.51 2kiv n GLY 12 Ca -0.03 0.33 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 0.02 -0.85 0.99 1.43 -1.12 -4.68 118.68 114.48 2kiv s LEU 13 Ca 0.00 -0.00 -0.23 0.00 -1.03 0.00 0.00 54.13 52.87 2kiv s LEU 13 Cb 0.00 2.08 -0.15 0.00 0.03 0.00 0.00 46.19 48.15 2kiv s LEU 13 CO 0.00 -0.79 1.91 -0.81 0.23 0.00 0.00 176.35 176.89 2kiv n PRO 14 N 0.13 1.45 0.00 1.29 -0.04 -1.26 -4.11 135.00 132.46 2kiv n PRO 14 Ca -0.17 -1.97 0.00 0.00 -0.04 0.00 0.00 63.50 61.31 2kiv n PRO 14 Cb 0.62 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.96 2kiv n PRO 14 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2kiv n GLN 15 N 7.40 2.00 0.00 0.54 3.00 -1.26 -4.73 117.38 124.32 2kiv n GLN 15 Ca 0.48 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.58 2kiv n GLN 15 Cb 0.42 -0.89 0.02 0.00 0.00 0.00 0.00 30.24 29.79 2kiv n GLN 15 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2kiv n TYR 16 N -1.89 0.00 -0.05 1.08 4.01 -1.26 -4.51 117.16 114.54 2kiv n TYR 16 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 2kiv n TYR 16 Cb 0.39 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.40 2kiv n TYR 16 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2kiv h GLU 17 N 2.83 -0.24 0.03 -0.72 4.57 -1.85 0.13 114.58 119.33 2kiv h GLU 17 Ca 0.00 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2kiv h GLU 17 Cb 0.77 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.37 2kiv h GLU 17 CO 0.00 -0.16 -0.42 -0.97 -1.18 0.00 0.00 179.01 176.28 2kiv h ASN 18 N -0.25 -1.30 -0.89 1.04 -0.73 -1.93 -0.83 115.58 110.70 2kiv h ASN 18 Ca 0.14 0.14 0.15 0.00 1.87 0.00 0.00 56.30 58.60 2kiv h ASN 18 Cb 0.46 0.49 -0.10 0.00 0.27 0.00 0.00 38.32 39.45 2kiv h ASN 18 CO -0.40 -0.42 0.48 0.45 -0.37 0.00 0.00 177.43 177.17 2kiv h HIS 19 N -0.55 0.84 0.09 0.67 3.86 -1.78 0.22 115.15 118.49 2kiv h HIS 19 Ca 0.00 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2kiv h HIS 19 Cb 0.58 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 2kiv h HIS 19 CO -0.47 0.21 -0.09 -0.07 0.86 0.00 0.00 177.93 178.37 2kiv h LEU 20 N 0.67 -0.26 -0.79 2.43 4.07 0.23 0.29 115.31 121.96 2kiv h LEU 20 Ca 0.48 0.02 0.09 0.00 0.08 0.00 0.00 57.88 58.55 2kiv h LEU 20 Cb 0.68 0.09 -0.07 0.00 1.08 0.00 0.00 40.66 42.44 2kiv h LEU 20 CO -0.36 -0.12 0.44 0.00 -1.08 0.00 0.00 178.44 177.32 2kiv h MET 21 N -0.18 0.73 0.00 1.13 -0.00 0.44 0.56 114.93 117.61 2kiv h MET 21 Ca -0.01 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.70 59.64 2kiv h MET 21 Cb 0.16 -0.17 -0.00 0.00 -0.00 0.00 0.00 31.60 31.59 2kiv h MET 21 CO -0.02 0.48 -0.01 0.00 -0.00 0.00 0.00 176.91 177.37 2kiv h ALA 22 N 1.44 1.87 -0.47 -3.00 0.00 -0.38 -0.03 119.26 118.69 2kiv h ALA 22 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2kiv h ALA 22 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2kiv h ALA 22 CO -0.24 0.01 0.00 -1.71 0.00 0.00 0.00 179.25 177.31 2kiv n ASN 23 N -4.36 4.77 0.00 0.00 2.85 0.10 -4.87 115.26 113.75 2kiv n ASN 23 Ca -0.03 -2.73 0.00 0.00 -0.11 0.00 0.00 54.58 51.71 2kiv n ASN 23 Cb 0.09 -0.64 0.00 0.00 1.24 0.00 0.00 39.78 40.47 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 0.53 3.22 2.85 8.20 0.00 -0.02 -0.11 105.19 119.85 2kiv n GLY 24 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.63 3.21 0.00 1.61 3.72 0.18 -4.33 117.46 120.21 2kiv n PHE 25 Ca 0.00 -2.71 0.06 0.00 -0.05 0.00 0.00 57.45 54.75 2kiv n PHE 25 Cb 0.00 -2.38 -0.09 0.00 -0.94 0.00 0.00 39.48 36.07 2kiv n PHE 25 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2kiv n ASP 26 N 6.55 2.22 -4.23 4.37 2.03 -1.26 -0.73 116.55 125.49 2kiv n ASP 26 Ca 0.51 -0.01 -0.34 0.00 0.52 0.00 0.00 54.79 55.47 2kiv n ASP 26 Cb 0.40 1.54 -0.15 0.00 -0.72 0.00 0.00 41.12 42.19 2kiv n ASP 26 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2kiv s ASN 27 N -3.37 3.80 0.57 1.67 2.47 -1.26 -4.34 114.94 114.48 2kiv s ASN 27 Ca -0.04 -0.50 0.30 0.00 0.42 0.00 0.00 52.86 53.05 2kiv s ASN 27 Cb 0.08 -1.62 1.45 0.00 -1.45 0.00 0.00 41.25 39.71 2kiv s ASN 27 CO 0.50 -0.00 1.85 0.58 -3.72 0.00 0.00 177.10 176.31 2kiv h VAL 28 N 5.79 0.42 -0.91 -5.21 2.07 -1.91 0.19 116.25 116.69 2kiv h VAL 28 Ca -0.42 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.25 2kiv h VAL 28 Cb 1.16 0.54 -0.10 0.00 -1.52 0.00 0.00 31.29 31.37 2kiv h VAL 28 CO 0.61 0.00 0.51 -0.61 0.02 0.00 0.00 177.57 178.10 2kiv h GLN 29 N 0.00 0.69 -0.23 1.57 -0.00 -1.93 0.28 115.11 115.49 2kiv h GLN 29 Ca 0.34 -0.04 0.07 0.00 -0.00 0.00 0.00 58.65 59.01 2kiv h GLN 29 Cb 1.57 -0.16 -0.01 0.00 0.00 0.00 0.00 27.48 28.89 2kiv h GLN 29 CO -0.00 0.46 0.34 0.00 0.00 0.00 0.00 178.83 179.62 2kiv h ALA 30 N 1.58 1.79 -0.03 3.38 0.00 -1.36 0.20 119.26 124.81 2kiv h ALA 30 Ca 0.50 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.21 2kiv h ALA 30 Cb 0.69 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2kiv h ALA 30 CO -0.35 -0.45 -0.78 0.52 0.00 0.00 0.00 179.25 178.18 2kiv h MET 31 N 0.00 0.27 0.00 0.00 2.86 -0.60 -3.41 114.93 114.05 2kiv h MET 31 Ca 0.11 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2kiv h MET 31 Cb 0.78 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2kiv h MET 31 CO -0.00 0.92 0.00 0.41 1.06 0.00 0.00 176.91 179.30 2kiv n GLY 32 N 0.66 3.23 0.54 8.32 0.00 0.71 -2.40 105.19 116.24 2kiv n GLY 32 Ca -0.04 0.17 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 2kiv n GLY 32 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kiv n SER 33 N 4.90 1.52 -0.60 1.61 7.64 -1.26 -4.83 113.62 122.59 2kiv n SER 33 Ca 0.00 0.24 0.06 0.00 1.01 0.00 0.00 58.87 60.18 2kiv n SER 33 Cb 0.00 -0.54 0.13 0.00 -1.01 0.00 0.00 64.21 62.78 2kiv n SER 33 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2kiv n ASN 34 N -3.99 1.53 0.09 6.43 6.94 -1.25 -3.11 115.26 121.90 2kiv n ASN 34 Ca -0.09 -3.07 -0.04 0.00 -0.02 0.00 0.00 54.58 51.37 2kiv n ASN 34 Cb 0.30 -0.42 -0.02 0.00 -2.36 0.00 0.00 39.78 37.29 2kiv n ASN 34 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 2kiv h VAL 35 N 2.62 0.00 -1.07 3.53 2.07 -1.77 -3.41 116.25 118.23 2kiv h VAL 35 Ca -0.04 -0.04 -0.63 0.00 0.82 0.00 0.00 66.70 66.81 2kiv h VAL 35 Cb 1.22 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2kiv h VAL 35 CO 0.02 0.00 1.48 0.80 0.02 0.00 0.00 177.57 179.89 2kiv n MET 36 N -2.74 0.98 -3.59 1.57 0.00 -1.25 -4.93 117.12 107.18 2kiv n MET 36 Ca -0.03 0.23 -0.21 0.00 -0.00 0.00 0.00 57.70 57.69 2kiv n MET 36 Cb 0.09 -2.51 -0.03 0.00 0.00 0.00 0.00 33.22 30.77 2kiv n MET 36 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2kiv s GLU 37 N 6.76 2.53 0.20 2.12 0.41 -1.26 -4.89 118.70 124.56 2kiv s GLU 37 Ca 1.11 -1.54 -0.11 0.00 -0.41 0.00 0.00 54.97 54.01 2kiv s GLU 37 Cb -0.80 -2.37 0.18 0.00 -1.78 0.00 0.00 34.13 29.37 2kiv s GLU 37 CO 0.46 -0.18 1.81 0.38 -0.49 0.00 0.00 175.26 177.24 2kiv h ASP 38 N 1.05 0.54 -0.97 -0.19 3.04 -1.97 -1.07 116.42 116.84 2kiv h ASP 38 Ca -0.42 0.02 0.11 0.00 -3.24 0.00 0.00 57.03 53.50 2kiv h ASP 38 Cb 1.27 -0.09 -0.08 0.00 -1.04 0.00 0.00 39.33 39.39 2kiv h ASP 38 CO 0.58 0.36 0.62 1.56 -2.04 0.00 0.00 179.24 180.32 2kiv h GLN 39 N 0.67 0.94 0.43 4.15 4.20 -1.98 0.89 115.11 124.41 2kiv h GLN 39 Ca 0.26 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 2kiv h GLN 39 Cb 0.11 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.68 2kiv h GLN 39 CO -0.15 0.62 -0.21 -0.44 -0.67 0.00 0.00 178.83 177.99 2kiv h ASP 40 N 0.97 -0.49 -0.58 1.46 3.32 -1.73 0.12 116.42 119.48 2kiv h ASP 40 Ca 0.47 -0.02 0.17 0.00 0.02 0.00 0.00 57.03 57.66 2kiv h ASP 40 Cb 0.45 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 2kiv h ASP 40 CO -0.23 -0.06 0.50 0.17 -1.72 0.00 0.00 179.24 177.90 2kiv h LEU 41 N -1.13 0.00 0.10 1.55 8.10 -1.03 0.14 115.31 123.05 2kiv h LEU 41 Ca -0.06 0.00 -0.31 0.00 0.11 0.00 0.00 57.88 57.62 2kiv h LEU 41 Cb 0.48 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.69 2kiv h LEU 41 CO 0.10 0.00 -1.60 0.25 -4.11 0.00 0.00 178.44 173.08 2kiv h LEU 42 N 0.00 0.34 -1.16 0.17 7.12 -0.80 -3.33 115.31 117.66 2kiv h LEU 42 Ca 0.27 -0.52 -0.08 0.00 0.13 0.00 0.00 57.88 57.68 2kiv h LEU 42 Cb 1.27 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 41.28 2kiv h LEU 42 CO -0.00 1.44 -0.30 -0.08 -0.13 0.00 0.00 178.44 179.37 2kiv h GLU 43 N 0.06 0.20 0.00 1.25 4.81 0.19 -3.32 114.58 117.77 2kiv h GLU 43 Ca -0.27 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2kiv h GLU 43 Cb 2.01 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.38 2kiv h GLU 43 CO 0.14 0.49 0.00 -0.89 -0.73 0.00 0.00 179.01 178.02 2kiv n ILE 44 N -4.13 0.00 0.00 2.32 5.41 -0.18 -4.94 119.36 117.85 2kiv n ILE 44 Ca -0.01 1.25 0.00 0.00 1.00 0.00 0.00 62.75 64.99 2kiv n ILE 44 Cb 0.39 -2.17 0.00 0.00 -0.71 0.00 0.00 39.64 37.15 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 -0.79 0.00 3.80 7.39 0.00 -1.25 -5.09 105.19 109.25 2kiv n GLY 45 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 4.31 1.07 -0.61 -1.09 -1.25 -5.06 121.20 118.57 2kiv s ILE 46 Ca 0.00 1.66 -0.18 0.00 -2.23 0.00 0.00 60.65 59.90 2kiv s ILE 46 Cb 0.00 -3.90 0.24 0.00 -1.58 0.00 0.00 42.46 37.22 2kiv s ILE 46 CO 0.00 0.05 1.23 -0.76 -1.23 0.00 0.00 174.94 174.23 2kiv s LEU 47 N -2.30 1.79 -0.35 2.97 2.01 -1.26 -4.95 118.68 116.59 2kiv s LEU 47 Ca 0.52 0.43 0.05 0.00 0.01 0.00 0.00 54.13 55.14 2kiv s LEU 47 Cb -0.16 -2.32 0.61 0.00 0.01 0.00 0.00 46.19 44.33 2kiv s LEU 47 CO 0.21 -3.38 1.75 -0.46 1.01 0.00 0.00 176.35 175.48 2kiv n ASN 48 N -4.23 4.00 0.17 2.29 0.23 -1.26 -4.58 115.26 111.88 2kiv n ASN 48 Ca 0.14 -3.26 -0.07 0.00 -0.53 0.00 0.00 54.58 50.86 2kiv n ASN 48 Cb 0.59 -0.76 -0.03 0.00 -2.08 0.00 0.00 39.78 37.50 2kiv n ASN 48 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2kiv h SER 49 N 1.48 -0.38 0.00 0.53 0.02 -2.04 -3.48 113.55 109.67 2kiv h SER 49 Ca 0.43 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 2kiv h SER 49 Cb 2.44 0.10 0.00 0.00 0.14 0.00 0.00 62.40 65.08 2kiv h SER 49 CO 0.84 -0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.94 2kiv n GLY 50 N -0.28 0.00 0.00 -3.77 0.00 -1.26 -5.04 105.19 94.83 2kiv n GLY 50 Ca -0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.01 2kiv n GLY 50 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kiv n HIS 51 N 0.00 0.00 0.13 1.61 -0.00 -1.26 -4.61 115.22 111.08 2kiv n HIS 51 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 2kiv n HIS 51 Cb 0.00 -0.07 -0.09 0.00 -0.00 0.00 0.00 29.99 29.83 2kiv n HIS 51 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kiv h ARG 52 N 0.00 -0.70 -0.40 1.57 3.08 -1.96 0.49 114.38 116.45 2kiv h ARG 52 Ca 0.00 0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.16 2kiv h ARG 52 Cb 0.30 0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.45 2kiv h ARG 52 CO 0.00 -0.47 0.06 0.37 -1.07 0.00 0.00 179.97 178.86 2kiv h GLN 53 N -0.73 0.17 -0.08 0.04 5.75 -1.99 -0.23 115.11 118.03 2kiv h GLN 53 Ca -0.01 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.52 2kiv h GLN 53 Cb 0.72 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.17 2kiv h GLN 53 CO -0.24 0.11 -0.36 0.00 -2.65 0.00 0.00 178.83 175.70 2kiv h ARG 54 N 0.18 -0.45 -0.62 1.69 3.08 -1.71 0.11 114.38 116.66 2kiv h ARG 54 Ca 0.20 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.31 2kiv h ARG 54 Cb 0.25 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 2kiv h ARG 54 CO -0.28 -0.30 0.37 0.82 -1.07 0.00 0.00 179.97 179.51 2kiv h ILE 55 N -0.46 1.04 0.24 2.04 2.04 -0.53 -0.15 117.51 121.73 2kiv h ILE 55 Ca 0.08 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 2kiv h ILE 55 Cb 0.59 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2kiv h ILE 55 CO -0.34 0.13 -0.15 -0.07 0.00 0.00 0.00 178.15 177.72 2kiv h LEU 56 N 0.72 -0.38 -1.37 1.44 3.38 -0.28 -0.51 115.31 118.32 2kiv h LEU 56 Ca 0.26 0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.49 2kiv h LEU 56 Cb 0.07 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.84 2kiv h LEU 56 CO -0.13 -0.23 0.64 0.06 0.09 0.00 0.00 178.44 178.88 2kiv h GLN 57 N -0.37 0.43 0.55 1.13 3.07 -0.78 -0.69 115.11 118.45 2kiv h GLN 57 Ca -0.03 -0.03 -0.03 0.00 0.09 0.00 0.00 58.65 58.65 2kiv h GLN 57 Cb 0.29 -0.10 0.01 0.00 0.08 0.00 0.00 27.48 27.76 2kiv h GLN 57 CO 0.03 0.28 -0.26 0.00 0.09 0.00 0.00 178.83 178.97 2kiv h ALA 58 N 1.62 -0.74 -0.61 0.06 0.00 -0.74 0.25 119.26 119.11 2kiv h ALA 58 Ca 0.56 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.32 2kiv h ALA 58 Cb 1.34 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 2kiv h ALA 58 CO -0.27 -0.89 0.40 0.82 0.00 0.00 0.00 179.25 179.32 2kiv h ILE 59 N -0.80 1.10 0.00 0.00 5.03 0.03 0.40 117.51 123.27 2kiv h ILE 59 Ca -0.08 -0.26 -0.11 0.00 -0.12 0.00 0.00 64.86 64.30 2kiv h ILE 59 Cb 0.59 0.29 -0.02 0.00 -3.03 0.00 0.00 36.82 34.66 2kiv h ILE 59 CO 0.12 0.14 -0.53 -0.61 -0.68 0.00 0.00 178.15 176.59 2kiv h GLN 60 N 0.75 0.00 0.00 2.37 5.75 -0.95 -3.06 115.11 119.97 2kiv h GLN 60 Ca 0.24 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.74 2kiv h GLN 60 Cb 0.03 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.58 2kiv h GLN 60 CO -0.06 0.53 -0.81 1.25 -2.65 0.00 0.00 178.83 177.09 2kiv h LEU 61 N 0.00 0.00 -9.57 -2.39 6.46 0.82 -3.48 115.31 107.15 2kiv h LEU 61 Ca -0.01 -0.14 -0.58 0.00 -0.12 0.00 0.00 57.88 57.03 2kiv h LEU 61 Cb 1.14 0.00 0.16 0.00 -0.73 0.00 0.00 40.66 41.23 2kiv h LEU 61 CO 0.07 0.07 -0.21 0.18 -0.62 0.00 0.00 178.44 177.93 2kiv n LEU 62 N -2.34 1.52 0.00 2.25 4.77 0.13 -4.98 117.00 118.35 2kiv n LEU 62 Ca 0.02 0.82 -0.01 0.00 -0.03 0.00 0.00 56.01 56.81 2kiv n LEU 62 Cb 0.48 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 2kiv n LEU 62 CO 0.38 -2.56 0.01 -0.81 -1.33 0.00 0.00 177.39 173.09 2kiv n PRO 63 N -0.12 -1.06 -3.67 3.23 -0.04 -1.26 -4.52 135.00 127.56 2kiv n PRO 63 Ca 0.12 -0.03 -0.28 0.00 -0.04 0.00 0.00 63.50 63.27 2kiv n PRO 63 Cb 0.45 -0.03 0.04 0.00 -0.04 0.00 0.00 33.50 33.92 2kiv n PRO 63 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2kiv n LYS 64 N -1.57 -2.09 0.05 0.54 4.01 -1.26 -4.84 118.16 113.00 2kiv n LYS 64 Ca 0.00 0.52 0.10 0.00 -0.51 0.00 0.00 58.31 58.42 2kiv n LYS 64 Cb 0.01 -4.50 0.42 0.00 -0.51 0.00 0.00 35.03 30.46 2kiv n LYS 64 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2kiv n MET 65 N -4.12 0.09 -2.80 1.97 0.00 -1.26 -4.68 117.12 106.32 2kiv n MET 65 Ca -0.14 0.27 -0.01 0.00 0.00 0.00 0.00 57.70 57.82 2kiv n MET 65 Cb 0.62 -1.66 0.00 0.00 0.00 0.00 0.00 33.22 32.18 2kiv n MET 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2kiv n ARG 66 N -1.83 -1.21 0.15 3.17 1.74 -1.26 -4.88 116.66 112.54 2kiv n ARG 66 Ca 0.04 1.40 -0.00 0.00 -0.77 0.00 0.00 57.85 58.52 2kiv n ARG 66 Cb 0.24 -5.10 0.26 0.00 -1.02 0.00 0.00 32.46 26.84 2kiv n ARG 66 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2kiv h PRO 67 N 0.53 0.05 -0.05 5.56 0.13 -2.02 -2.95 132.00 133.25 2kiv h PRO 67 Ca 0.00 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.03 2kiv h PRO 67 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 2kiv h PRO 67 CO 0.24 0.52 -0.29 -0.84 -0.23 0.00 0.00 178.00 177.41 2kiv h ILE 68 N 0.04 1.23 0.00 -3.56 -0.00 -2.03 -3.47 117.51 109.73 2kiv h ILE 68 Ca -0.00 -1.09 0.00 0.00 -0.00 0.00 0.00 64.86 63.77 2kiv h ILE 68 Cb 0.86 1.51 0.00 0.00 -0.00 0.00 0.00 36.82 39.20 2kiv h ILE 68 CO 0.06 0.32 0.00 0.61 -0.00 0.00 0.00 178.15 179.14 2kiv n GLY 69 N -0.61 0.51 0.13 0.16 0.00 -1.12 -5.06 105.19 99.20 2kiv n GLY 69 Ca -0.02 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 2kiv n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kiv n HIS 70 N -0.12 0.21 -4.29 1.61 8.25 -1.26 -4.65 115.22 114.96 2kiv n HIS 70 Ca 0.00 0.08 -0.19 0.00 -0.26 0.00 0.00 57.72 57.36 2kiv n HIS 70 Cb 0.00 -1.02 -0.09 0.00 1.12 0.00 0.00 29.99 30.00 2kiv n HIS 70 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2kiv s ASP 71 N -7.31 1.48 0.00 0.41 1.01 -1.26 -5.09 116.67 105.90 2kiv s ASP 71 Ca -0.37 -1.66 0.00 0.00 0.71 0.00 0.00 52.55 51.23 2kiv s ASP 71 Cb 0.13 0.50 0.00 0.00 1.01 0.00 0.00 42.92 44.56 2kiv s ASP 71 CO 0.52 -0.99 0.00 0.61 0.21 0.00 0.00 175.17 175.52 2kiv n GLY 72 N -0.58 -0.24 3.83 0.21 0.00 -1.26 -5.19 105.19 101.96 2kiv n GLY 72 Ca 0.05 0.73 -0.29 0.00 0.00 0.00 0.00 46.02 46.51 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 4.24 0.12 4.61 0.00 -1.26 -5.16 121.76 124.31 2kiv s ALA 73 Ca 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.09 2kiv s ALA 73 Cb 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 2kiv s ALA 73 CO 0.00 -0.23 -0.06 -1.01 0.00 0.00 0.00 175.76 174.46 2kiv s HIS 74 N -2.81 1.02 -0.46 0.00 3.76 -1.26 -5.10 115.29 110.44 2kiv s HIS 74 Ca 0.21 -0.91 -0.28 0.00 -0.15 0.00 0.00 55.06 53.94 2kiv s HIS 74 Cb -0.00 -0.57 -0.02 0.00 1.11 0.00 0.00 32.58 33.10 2kiv s HIS 74 CO 0.13 -0.12 1.77 -1.25 -0.85 0.00 0.00 174.74 174.42 2kiv s PRO 75 N -3.83 3.08 0.31 8.40 0.04 -1.26 -4.93 135.00 136.81 2kiv s PRO 75 Ca 0.15 1.02 -0.06 0.00 0.04 0.00 0.00 61.00 62.15 2kiv s PRO 75 Cb 0.05 -4.25 0.02 0.00 0.04 0.00 0.00 34.50 30.36 2kiv s PRO 75 CO -0.02 -2.18 0.51 0.25 0.04 0.00 0.00 177.00 175.61 2kiv n THR 76 N 7.28 0.00 -1.81 1.26 -2.24 -1.26 -5.12 114.28 112.40 2kiv n THR 76 Ca 0.21 -1.23 -0.30 0.00 -2.27 0.00 0.00 64.05 60.46 2kiv n THR 76 Cb 0.49 0.89 0.08 0.00 -2.10 0.00 0.00 70.33 69.68 2kiv n THR 76 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kiv s SER 77 N -2.79 4.78 0.31 3.42 0.15 -1.26 -4.44 113.70 113.87 2kiv s SER 77 Ca 0.20 1.02 0.05 0.00 0.70 0.00 0.00 55.95 57.92 2kiv s SER 77 Cb -0.02 -1.68 0.70 0.00 -1.71 0.00 0.00 66.02 63.31 2kiv s SER 77 CO 0.14 -1.75 1.83 0.58 1.20 0.00 0.00 173.24 175.24 2kiv h VAL 78 N -0.94 0.83 0.34 4.45 2.07 -1.80 -1.16 116.25 120.03 2kiv h VAL 78 Ca -0.46 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 2kiv h VAL 78 Cb 1.29 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2kiv h VAL 78 CO 0.64 0.15 -0.24 0.00 0.02 0.00 0.00 177.57 178.14 2kiv h ALA 79 N 1.59 -1.04 -0.69 1.67 0.00 -1.94 0.12 119.26 118.97 2kiv h ALA 79 Ca 0.51 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.43 2kiv h ALA 79 Cb 0.69 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 2kiv h ALA 79 CO -0.28 -1.03 0.23 0.93 0.00 0.00 0.00 179.25 179.10 2kiv h GLU 80 N -0.55 0.35 0.47 0.00 3.07 -1.87 0.19 114.58 116.24 2kiv h GLU 80 Ca -0.04 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.78 2kiv h GLU 80 Cb 0.45 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 2kiv h GLU 80 CO 0.02 0.23 -0.34 2.35 -1.40 0.00 0.00 179.01 179.88 2kiv h TRP 81 N 0.37 -0.92 -0.09 4.33 7.01 -1.07 -2.04 115.95 123.53 2kiv h TRP 81 Ca 0.37 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.40 2kiv h TRP 81 Cb 0.56 0.34 -0.00 0.00 -2.10 0.00 0.00 29.16 27.96 2kiv h TRP 81 CO -0.20 -0.49 0.15 -0.07 -2.79 0.00 0.00 178.44 175.05 2kiv h LEU 82 N -0.77 0.00 -2.77 0.65 3.38 -0.42 0.07 115.31 115.44 2kiv h LEU 82 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2kiv h LEU 82 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2kiv h LEU 82 CO 0.03 0.00 0.03 -0.78 0.09 0.00 0.00 178.44 177.81 2kiv h ASP 83 N 0.00 0.00 0.00 -0.43 1.82 0.13 -0.11 116.42 117.83 2kiv h ASP 83 Ca 0.04 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2kiv h ASP 83 Cb 0.35 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.36 2kiv h ASP 83 CO -0.00 0.00 -1.33 -1.20 -1.61 0.00 0.00 179.24 175.10 2kiv n SER 84 N -3.31 0.77 -0.53 2.28 7.64 0.00 -4.22 113.62 116.26 2kiv n SER 84 Ca -0.03 -0.50 0.06 0.00 1.01 0.00 0.00 58.87 59.41 2kiv n SER 84 Cb 0.10 1.40 0.20 0.00 -1.01 0.00 0.00 64.21 64.91 2kiv n SER 84 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2kiv n ILE 85 N -1.77 0.34 -1.11 0.44 2.08 -0.09 -4.87 119.36 114.37 2kiv n ILE 85 Ca 0.00 -0.37 -0.04 0.00 0.56 0.00 0.00 62.75 62.90 2kiv n ILE 85 Cb 0.38 0.22 -0.02 0.00 -0.75 0.00 0.00 39.64 39.47 2kiv n ILE 85 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2kiv n GLU 86 N 0.31 -1.12 -3.90 0.38 4.71 -1.11 -4.90 120.64 115.01 2kiv n GLU 86 Ca 0.12 0.50 -0.27 0.00 -0.01 0.00 0.00 57.16 57.50 2kiv n GLU 86 Cb 0.26 -4.46 -0.00 0.00 -1.01 0.00 0.00 31.44 26.23 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 -0.89 2.66 0.05 -4.62 2.01 -0.97 -5.04 118.68 111.89 2kiv s LEU 87 Ca 0.00 -1.28 0.00 0.00 0.01 0.00 0.00 54.13 52.86 2kiv s LEU 87 Cb 0.00 -1.14 0.00 0.00 0.01 0.00 0.00 46.19 45.06 2kiv s LEU 87 CO 0.00 -1.14 0.00 0.61 1.01 0.00 0.00 176.35 176.83 2kiv n GLY 88 N -1.78 -0.64 0.38 -3.19 0.00 -1.26 -4.23 105.19 94.48 2kiv n GLY 88 Ca -0.02 0.16 0.18 0.00 0.00 0.00 0.00 46.02 46.33 2kiv n GLY 88 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kiv h ASP 89 N 0.00 0.57 -0.70 1.61 5.19 -1.99 0.26 116.42 121.36 2kiv h ASP 89 Ca 0.00 0.08 0.19 0.00 -0.62 0.00 0.00 57.03 56.68 2kiv h ASP 89 Cb 0.00 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.45 2kiv h ASP 89 CO 0.00 0.18 0.50 1.88 -3.12 0.00 0.00 179.24 178.68 2kiv h TYR 90 N 0.54 0.09 -1.17 4.55 0.05 -2.01 -0.74 116.97 118.28 2kiv h TYR 90 Ca 0.55 0.00 0.33 0.00 0.05 0.00 0.00 58.73 59.67 2kiv h TYR 90 Cb 1.16 -0.03 -0.09 0.00 1.01 0.00 0.00 36.73 38.78 2kiv h TYR 90 CO -0.00 0.03 0.77 1.15 -1.05 0.00 0.00 178.16 179.06 2kiv h THR 91 N 0.07 0.38 0.26 -2.88 2.02 -0.85 0.24 112.91 112.16 2kiv h THR 91 Ca 0.34 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.43 2kiv h THR 91 Cb 1.23 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2kiv h THR 91 CO -0.03 0.04 -0.13 0.50 0.37 0.00 0.00 175.52 176.28 2kiv h LYS 92 N 0.22 -0.34 -0.13 6.66 3.64 -1.31 0.10 116.57 125.41 2kiv h LYS 92 Ca 0.66 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 60.05 2kiv h LYS 92 Cb 2.00 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.89 2kiv h LYS 92 CO -0.27 -0.07 0.03 0.00 -2.27 0.00 0.00 179.45 176.88 2kiv h ALA 93 N 0.08 0.17 -1.00 5.00 0.00 -1.07 -0.28 119.26 122.15 2kiv h ALA 93 Ca -0.04 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2kiv h ALA 93 Cb 0.43 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 2kiv h ALA 93 CO 0.06 -0.19 0.65 0.74 0.00 0.00 0.00 179.25 180.51 2kiv h PHE 94 N 0.01 1.22 0.49 0.00 -1.00 -0.67 0.42 116.94 117.41 2kiv h PHE 94 Ca 0.04 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.83 2kiv h PHE 94 Cb 0.26 -0.40 0.00 0.00 3.61 0.00 0.00 35.95 39.42 2kiv h PHE 94 CO 0.01 0.66 -0.23 -0.07 -1.61 0.00 0.00 178.31 177.07 2kiv h LEU 95 N 1.22 -0.55 -1.96 1.54 3.38 -0.81 0.36 115.31 118.49 2kiv h LEU 95 Ca 0.42 0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.65 2kiv h LEU 95 Cb 0.09 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 2kiv h LEU 95 CO -0.15 -0.18 0.61 0.16 0.09 0.00 0.00 178.44 178.97 2kiv h ILE 96 N -1.09 0.58 0.00 1.22 3.07 -0.97 0.41 117.51 120.73 2kiv h ILE 96 Ca -0.07 -0.01 -0.20 0.00 1.55 0.00 0.00 64.86 66.13 2kiv h ILE 96 Cb 0.50 0.54 -0.03 0.00 -0.27 0.00 0.00 36.82 37.57 2kiv h ILE 96 CO 0.11 0.01 -0.94 -1.13 -1.05 0.00 0.00 178.15 175.14 2kiv h ASN 97 N 0.03 0.01 -0.08 2.16 -0.73 -0.88 -3.48 115.58 112.61 2kiv h ASN 97 Ca 0.41 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.57 2kiv h ASN 97 Cb 1.59 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.17 2kiv h ASN 97 CO -0.02 0.95 0.00 0.61 -0.37 0.00 0.00 177.43 178.60 2kiv n GLY 98 N 1.18 0.50 1.98 1.57 0.00 0.14 -5.01 105.19 105.54 2kiv n GLY 98 Ca -0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.04 2.50 0.14 1.61 4.01 0.12 -4.68 117.16 120.82 2kiv n TYR 99 Ca 0.00 -1.42 -0.12 0.00 -0.16 0.00 0.00 57.90 56.20 2kiv n TYR 99 Cb 0.02 -0.74 -0.07 0.00 -0.31 0.00 0.00 39.34 38.24 2kiv n TYR 99 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2kiv h THR 100 N 2.02 0.00 -1.93 -0.72 2.02 -1.89 -3.42 112.91 109.00 2kiv h THR 100 Ca 0.37 0.00 -0.64 0.00 0.77 0.00 0.00 66.41 66.91 2kiv h THR 100 Cb 2.43 0.00 0.05 0.00 -1.74 0.00 0.00 68.15 68.89 2kiv h THR 100 CO 0.81 0.00 0.68 -0.24 0.37 0.00 0.00 175.52 177.14 2kiv n SER 101 N -4.56 2.42 0.34 4.18 2.88 -1.26 -4.38 113.62 113.24 2kiv n SER 101 Ca -0.07 1.09 -0.17 0.00 -1.33 0.00 0.00 58.87 58.39 2kiv n SER 101 Cb 0.31 -1.29 -0.09 0.00 -0.75 0.00 0.00 64.21 62.39 2kiv n SER 101 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 2kiv h MET 102 N 5.70 -0.80 -1.05 -1.46 4.05 -1.81 -2.38 114.93 117.18 2kiv h MET 102 Ca -0.47 0.05 0.30 0.00 -0.28 0.00 0.00 59.70 59.31 2kiv h MET 102 Cb 1.30 0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 32.24 2kiv h MET 102 CO 0.85 -0.52 0.76 -0.44 0.23 0.00 0.00 176.91 177.78 2kiv h ASP 103 N -0.87 0.00 -0.81 1.39 3.32 -1.94 0.66 116.42 118.18 2kiv h ASP 103 Ca -0.09 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.11 2kiv h ASP 103 Cb 0.65 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.11 2kiv h ASP 103 CO 0.14 0.00 0.38 0.25 -1.72 0.00 0.00 179.24 178.29 2kiv h LEU 104 N 0.00 0.43 -1.92 1.55 6.46 -1.78 0.32 115.31 120.37 2kiv h LEU 104 Ca 0.50 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 58.33 2kiv h LEU 104 Cb 2.01 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 41.97 2kiv h LEU 104 CO -0.01 0.18 -0.11 -0.07 -0.62 0.00 0.00 178.44 177.82 2kiv h LEU 105 N 0.55 0.00 -1.96 2.25 3.38 -0.94 -0.56 115.31 118.03 2kiv h LEU 105 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2kiv h LEU 105 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2kiv h LEU 105 CO -0.37 0.11 0.00 1.17 0.09 0.00 0.00 178.44 179.43 2kiv n LYS 106 N -4.07 2.28 -0.46 1.13 4.81 0.95 -3.98 118.16 118.81 2kiv n LYS 106 Ca -0.02 -1.93 0.09 0.00 -0.87 0.00 0.00 58.31 55.57 2kiv n LYS 106 Cb 0.19 -1.47 0.30 0.00 0.02 0.00 0.00 35.03 34.07 2kiv n LYS 106 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2kiv n LYS 107 N 1.14 3.30 -3.96 1.64 4.81 -0.07 -4.97 118.16 120.05 2kiv n LYS 107 Ca 0.18 -2.68 -0.22 0.00 -0.87 0.00 0.00 58.31 54.72 2kiv n LYS 107 Cb 0.52 -1.70 -0.05 0.00 0.02 0.00 0.00 35.03 33.81 2kiv n LYS 107 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2kiv n ILE 108 N 0.90 0.00 -4.47 3.15 -5.35 -1.23 -5.05 119.36 107.31 2kiv n ILE 108 Ca 0.22 -1.86 -0.24 0.00 -0.27 0.00 0.00 62.75 60.60 2kiv n ILE 108 Cb 0.75 0.54 -0.08 0.00 -1.74 0.00 0.00 39.64 39.11 2kiv n ILE 108 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kiv s ALA 109 N -2.78 2.68 0.06 -1.28 0.00 -1.26 -5.03 121.76 114.15 2kiv s ALA 109 Ca 0.09 -1.42 -0.22 0.00 0.00 0.00 0.00 51.96 50.41 2kiv s ALA 109 Cb 0.00 0.87 -0.09 0.00 0.00 0.00 0.00 23.12 23.90 2kiv s ALA 109 CO 0.06 -0.39 1.35 1.49 0.00 0.00 0.00 175.76 178.27 2kiv h GLU 110 N 1.89 -0.47 -0.79 0.00 4.57 -1.99 -0.85 114.58 116.93 2kiv h GLU 110 Ca -0.34 0.03 0.18 0.00 -1.18 0.00 0.00 59.36 58.05 2kiv h GLU 110 Cb 1.26 0.11 -0.12 0.00 -0.16 0.00 0.00 28.75 29.85 2kiv h GLU 110 CO 0.54 -0.31 0.24 -0.24 -1.18 0.00 0.00 179.01 178.06 2kiv h VAL 111 N -0.49 0.49 -0.38 0.32 3.04 -1.97 0.09 116.25 117.35 2kiv h VAL 111 Ca -0.01 -0.11 0.06 0.00 -1.01 0.00 0.00 66.70 65.64 2kiv h VAL 111 Cb 0.48 0.16 -0.05 0.00 -2.01 0.00 0.00 31.29 29.87 2kiv h VAL 111 CO -0.17 0.06 0.05 -0.08 -1.01 0.00 0.00 177.57 176.42 2kiv h GLU 112 N 0.31 0.16 -0.59 4.17 4.57 -1.80 0.37 114.58 121.77 2kiv h GLU 112 Ca 0.46 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.58 2kiv h GLU 112 Cb 0.82 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.35 2kiv h GLU 112 CO -0.53 0.11 0.16 1.25 -1.18 0.00 0.00 179.01 178.82 2kiv h LEU 113 N 0.17 0.83 -0.72 1.64 6.46 0.37 0.45 115.31 124.51 2kiv h LEU 113 Ca 0.18 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2kiv h LEU 113 Cb 0.23 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 2kiv h LEU 113 CO -0.26 0.80 0.00 0.40 -0.62 0.00 0.00 178.44 178.76 2kiv h ILE 114 N 0.87 0.00 0.00 4.05 2.04 -0.17 0.35 117.51 124.65 2kiv h ILE 114 Ca 0.19 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.32 2kiv h ILE 114 Cb 0.28 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2kiv h ILE 114 CO -0.00 0.00 -1.53 0.59 0.00 0.00 0.00 178.15 177.21 2kiv n ASN 115 N -3.05 0.40 -0.05 1.72 4.13 0.12 -3.31 115.26 115.22 2kiv n ASN 115 Ca 0.02 -0.25 -0.06 0.00 1.68 0.00 0.00 54.58 55.97 2kiv n ASN 115 Cb 0.41 1.45 -0.02 0.00 -1.54 0.00 0.00 39.78 40.08 2kiv n ASN 115 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2kiv n VAL 116 N -2.06 1.33 0.11 2.41 0.31 0.15 -4.71 118.33 115.86 2kiv n VAL 116 Ca -0.01 0.22 0.04 0.00 -0.01 0.00 0.00 64.34 64.58 2kiv n VAL 116 Cb 0.49 -2.10 -0.00 0.00 -0.91 0.00 0.00 33.84 31.32 2kiv n VAL 116 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2kiv h LEU 117 N -0.69 0.00 -1.67 7.52 -0.00 -0.63 -3.49 115.31 116.35 2kiv h LEU 117 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.58 2kiv h LEU 117 Cb 0.69 0.00 0.16 0.00 -0.00 0.00 0.00 40.66 41.51 2kiv h LEU 117 CO 0.00 0.41 -0.70 0.29 -0.00 0.00 0.00 178.44 178.43 2kiv n LYS 118 N -3.02 -6.08 -2.87 1.13 4.76 0.33 -4.93 118.16 107.48 2kiv n LYS 118 Ca -0.02 0.78 -0.43 0.00 -2.87 0.00 0.00 58.31 55.76 2kiv n LYS 118 Cb 0.72 -5.58 -0.03 0.00 -1.84 0.00 0.00 35.03 28.30 2kiv n LYS 118 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2kiv s ILE 119 N -3.33 4.49 -0.09 -0.18 1.01 -1.25 -4.80 121.20 117.05 2kiv s ILE 119 Ca 0.01 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.69 2kiv s ILE 119 Cb -0.00 -4.76 -0.24 0.00 0.01 0.00 0.00 42.46 37.46 2kiv s ILE 119 CO 0.67 -1.52 0.46 -3.20 0.00 0.00 0.00 174.94 171.35 2kiv n ASN 120 N 7.23 1.47 -4.66 3.58 2.85 -1.26 -4.76 115.26 119.71 2kiv n ASN 120 Ca 0.13 0.28 -0.53 0.00 -0.11 0.00 0.00 54.58 54.35 2kiv n ASN 120 Cb 0.48 -0.41 -0.06 0.00 1.24 0.00 0.00 39.78 41.02 2kiv n ASN 120 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2kiv n LEU 121 N -3.25 2.76 -0.07 1.20 7.94 -1.26 -4.85 117.00 119.48 2kiv n LEU 121 Ca -0.26 0.94 -0.07 0.00 -1.11 0.00 0.00 56.01 55.51 2kiv n LEU 121 Cb 1.05 -1.24 -0.01 0.00 0.53 0.00 0.00 43.42 43.75 2kiv n LEU 121 CO 0.43 -0.33 0.72 0.40 -1.11 0.00 0.00 177.39 177.51 2kiv h ILE 122 N 5.61 0.46 0.00 1.96 2.04 -1.86 0.27 117.51 125.99 2kiv h ILE 122 Ca -0.44 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.42 2kiv h ILE 122 Cb 1.30 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 2kiv h ILE 122 CO 0.97 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.73 2kiv n GLY 123 N -1.35 -2.87 0.37 5.37 0.00 0.85 0.22 105.19 107.77 2kiv n GLY 123 Ca -0.00 0.31 0.15 0.00 0.00 0.00 0.00 46.02 46.48 2kiv n GLY 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2kiv h HIS 124 N 0.00 0.88 0.00 1.61 3.86 -1.78 0.12 115.15 119.84 2kiv h HIS 124 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2kiv h HIS 124 Cb 0.00 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.20 2kiv h HIS 124 CO -0.30 0.21 0.00 -2.13 0.86 0.00 0.00 177.93 176.57 2kiv n ARG 125 N -4.66 0.00 -0.31 2.45 0.63 0.96 -1.33 116.66 114.40 2kiv n ARG 125 Ca 0.22 0.38 0.13 0.00 -0.92 0.00 0.00 57.85 57.65 2kiv n ARG 125 Cb 0.62 -1.35 0.30 0.00 0.45 0.00 0.00 32.46 32.48 2kiv n ARG 125 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2kiv h LYS 126 N 0.00 0.43 0.27 -0.14 1.63 -0.06 0.27 116.57 118.97 2kiv h LYS 126 Ca 0.00 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2kiv h LYS 126 Cb 0.00 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 2kiv h LYS 126 CO 0.00 0.29 -0.33 0.00 -3.45 0.00 0.00 179.45 175.96 2kiv h ARG 127 N 0.45 -0.59 0.15 1.90 2.47 -0.75 0.28 114.38 118.28 2kiv h ARG 127 Ca 0.55 0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 59.31 2kiv h ARG 127 Cb 1.01 0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 29.46 2kiv h ARG 127 CO -0.50 -0.40 -0.09 0.82 0.56 0.00 0.00 179.97 180.37 2kiv h ILE 128 N -0.62 0.81 -1.00 2.04 2.04 -0.55 -1.01 117.51 119.22 2kiv h ILE 128 Ca -0.03 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.03 2kiv h ILE 128 Cb 0.55 0.81 -0.10 0.00 -0.74 0.00 0.00 36.82 37.33 2kiv h ILE 128 CO -0.07 0.00 0.61 0.25 0.00 0.00 0.00 178.15 178.94 2kiv h LEU 129 N -0.23 0.71 -0.07 1.44 5.85 -0.42 -0.15 115.31 122.44 2kiv h LEU 129 Ca -0.01 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2kiv h LEU 129 Cb 0.19 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 2kiv h LEU 129 CO 0.01 0.23 -0.07 0.00 -0.34 0.00 0.00 178.44 178.27 2kiv h ALA 130 N 1.65 0.11 -0.81 1.25 0.00 0.03 0.25 119.26 121.73 2kiv h ALA 130 Ca 0.58 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 55.29 2kiv h ALA 130 Cb 1.02 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 2kiv h ALA 130 CO -0.37 -0.08 0.47 0.66 0.00 0.00 0.00 179.25 179.93 2kiv h SER 131 N -0.25 0.69 0.21 0.00 4.64 0.07 -2.99 113.55 115.93 2kiv h SER 131 Ca 0.01 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 2kiv h SER 131 Cb 0.57 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2kiv h SER 131 CO 0.02 0.41 -0.10 -0.07 -0.87 0.00 0.00 176.83 176.22 2kiv h LEU 132 N 0.81 -0.24 0.00 5.97 3.38 -1.08 -3.47 115.31 120.69 2kiv h LEU 132 Ca 0.38 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2kiv h LEU 132 Cb 0.30 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2kiv h LEU 132 CO -0.22 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.20 2kiv n GLY 133 N 0.57 4.95 3.91 0.83 0.00 0.07 -5.04 105.19 110.48 2kiv n GLY 133 Ca -0.07 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 2kiv n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kiv s ASP 134 N 0.00 6.29 0.00 1.61 1.11 -1.26 -4.83 116.67 119.59 2kiv s ASP 134 Ca 0.00 0.83 0.30 0.00 0.18 0.00 0.00 52.55 53.85 2kiv s ASP 134 Cb 0.00 -2.20 1.43 0.00 1.07 0.00 0.00 42.92 43.22 2kiv s ASP 134 CO 0.00 -0.49 1.96 -1.14 1.18 0.00 0.00 175.17 176.68