#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 1.98 -0.01 1.45 2.00 -1.26 -5.15 119.66 118.67 2kiv s GLN 2 Ca 0.00 -1.87 0.00 0.00 -2.00 0.00 0.00 55.36 51.49 2kiv s GLN 2 Cb 0.00 -1.81 0.01 0.00 0.80 0.00 0.00 33.01 32.01 2kiv s GLN 2 CO 0.00 0.10 0.01 0.99 -0.50 0.00 0.00 175.29 175.89 2kiv s THR 3 N -2.58 -0.02 0.33 -0.34 2.01 -1.26 -4.59 115.64 109.18 2kiv s THR 3 Ca 0.34 0.10 0.09 0.00 0.31 0.00 0.00 61.69 62.53 2kiv s THR 3 Cb 0.02 -0.05 0.32 0.00 0.01 0.00 0.00 72.50 72.81 2kiv s THR 3 CO 0.18 0.04 1.77 0.58 -0.69 0.00 0.00 174.62 176.50 2kiv h VAL 4 N 5.66 0.64 -0.20 3.82 2.07 -1.90 -0.71 116.25 125.63 2kiv h VAL 4 Ca -0.34 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2kiv h VAL 4 Cb 1.17 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2kiv h VAL 4 CO 0.50 0.12 0.12 1.23 0.02 0.00 0.00 177.57 179.55 2kiv h GLY 5 N 0.65 0.29 0.82 2.17 0.00 -1.92 0.27 103.07 105.35 2kiv h GLY 5 Ca 0.59 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 2kiv h GLY 5 CO -0.38 0.12 -0.12 1.46 0.00 0.00 0.00 176.54 177.62 2kiv h GLN 6 N 0.24 -0.32 0.36 4.80 4.20 -1.60 0.79 115.11 123.58 2kiv h GLN 6 Ca 0.07 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2kiv h GLN 6 Cb 0.03 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2kiv h GLN 6 CO -0.01 -0.08 -0.22 2.35 -0.67 0.00 0.00 178.83 180.19 2kiv h TRP 7 N -0.52 -0.59 -0.68 2.96 7.01 -1.20 -0.15 115.95 122.78 2kiv h TRP 7 Ca -0.03 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.02 2kiv h TRP 7 Cb 0.39 0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 27.61 2kiv h TRP 7 CO -0.01 -0.35 0.45 1.25 -2.79 0.00 0.00 178.44 176.99 2kiv h LEU 8 N -0.56 0.61 -0.53 0.65 5.85 -0.49 -1.04 115.31 119.79 2kiv h LEU 8 Ca -0.04 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.56 2kiv h LEU 8 Cb 0.47 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2kiv h LEU 8 CO 0.04 0.40 -0.17 -0.08 -0.34 0.00 0.00 178.44 178.28 2kiv h GLU 9 N 0.70 1.01 -0.14 1.25 4.81 -0.36 0.34 114.58 122.19 2kiv h GLU 9 Ca 0.29 -0.41 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 2kiv h GLU 9 Cb 0.26 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 2kiv h GLU 9 CO -0.09 1.09 -0.01 1.03 -0.73 0.00 0.00 179.01 180.30 2kiv h SER 10 N 0.89 0.25 1.19 1.04 0.87 -0.02 -3.00 113.55 114.77 2kiv h SER 10 Ca 0.12 -0.32 -0.05 0.00 -1.23 0.00 0.00 61.79 60.31 2kiv h SER 10 Cb 0.75 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 2kiv h SER 10 CO 0.06 0.51 -0.26 0.16 -0.53 0.00 0.00 176.83 176.77 2kiv h ILE 11 N -0.02 0.55 0.00 2.23 3.07 -1.22 -3.47 117.51 118.65 2kiv h ILE 11 Ca 0.04 -1.36 0.00 0.00 1.55 0.00 0.00 64.86 65.08 2kiv h ILE 11 Cb 0.39 1.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.89 2kiv h ILE 11 CO 0.01 0.26 0.00 0.61 -1.05 0.00 0.00 178.15 177.97 2kiv n GLY 12 N 0.53 0.83 3.35 0.16 0.00 0.11 -4.87 105.19 105.29 2kiv n GLY 12 Ca 0.01 0.23 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 0.20 0.00 0.99 1.43 -0.84 -4.66 118.68 115.81 2kiv s LEU 13 Ca 0.00 0.09 0.14 0.00 -1.03 0.00 0.00 54.13 53.33 2kiv s LEU 13 Cb 0.00 1.90 0.67 0.00 0.03 0.00 0.00 46.19 48.79 2kiv s LEU 13 CO 0.00 -0.68 1.43 -0.81 0.23 0.00 0.00 176.35 176.52 2kiv n PRO 14 N 0.50 0.10 0.03 1.29 -0.04 -1.26 -3.19 135.00 132.43 2kiv n PRO 14 Ca -0.18 0.20 0.21 0.00 -0.04 0.00 0.00 63.50 63.69 2kiv n PRO 14 Cb 0.60 -1.50 0.73 0.00 -0.04 0.00 0.00 33.50 33.29 2kiv n PRO 14 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2kiv h GLN 15 N 0.00 0.00 0.00 0.54 7.50 -1.95 0.22 115.11 121.42 2kiv h GLN 15 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2kiv h GLN 15 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.72 2kiv h GLN 15 CO 0.00 0.00 -1.33 0.66 -1.50 0.00 0.00 178.83 176.66 2kiv n TYR 16 N -4.05 0.00 -0.19 2.96 4.02 -1.19 -4.45 117.16 114.25 2kiv n TYR 16 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 2kiv n TYR 16 Cb 0.63 -0.18 0.10 0.00 -0.02 0.00 0.00 39.34 39.87 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 0.18 -0.70 -0.72 4.81 -0.71 -0.47 114.58 116.98 2kiv h GLU 17 Ca 0.00 -0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.35 2kiv h GLU 17 Cb 0.65 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.90 2kiv h GLU 17 CO 0.00 0.12 0.24 -0.91 -0.73 0.00 0.00 179.01 177.73 2kiv h ASN 18 N 0.18 0.19 -0.11 1.04 2.35 -1.78 -0.84 115.58 116.61 2kiv h ASN 18 Ca 0.31 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 56.15 2kiv h ASN 18 Cb 0.47 0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.95 2kiv h ASN 18 CO -0.45 0.08 0.03 0.45 -1.65 0.00 0.00 177.43 175.89 2kiv h HIS 19 N 0.38 0.18 0.18 1.19 3.86 -1.41 -0.43 115.15 119.10 2kiv h HIS 19 Ca 0.38 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 2kiv h HIS 19 Cb 0.56 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 2kiv h HIS 19 CO -0.19 0.33 -0.32 -0.07 0.86 0.00 0.00 177.93 178.53 2kiv h LEU 20 N -0.02 -0.94 -0.59 2.43 4.07 -0.34 0.31 115.31 120.24 2kiv h LEU 20 Ca 0.04 0.09 0.09 0.00 0.08 0.00 0.00 57.88 58.17 2kiv h LEU 20 Cb 0.24 0.33 -0.07 0.00 1.08 0.00 0.00 40.66 42.24 2kiv h LEU 20 CO -0.00 -0.38 0.22 0.00 -1.08 0.00 0.00 178.44 177.20 2kiv h MET 21 N -0.54 0.39 0.00 1.13 -0.00 -0.28 0.44 114.93 116.07 2kiv h MET 21 Ca -0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.65 2kiv h MET 21 Cb 0.51 -0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 32.02 2kiv h MET 21 CO -0.12 0.26 -0.03 0.00 -0.00 0.00 0.00 176.91 177.02 2kiv h ALA 22 N 1.40 1.56 -0.44 -3.00 0.00 -0.72 -0.01 119.26 118.04 2kiv h ALA 22 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2kiv h ALA 22 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2kiv h ALA 22 CO -0.29 0.04 0.00 -1.71 0.00 0.00 0.00 179.25 177.29 2kiv n ASN 23 N -3.93 4.29 0.00 0.00 2.85 0.11 -4.87 115.26 113.71 2kiv n ASN 23 Ca -0.03 -2.60 0.00 0.00 -0.11 0.00 0.00 54.58 51.85 2kiv n ASN 23 Cb 0.12 -0.60 0.00 0.00 1.24 0.00 0.00 39.78 40.53 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 0.58 3.29 2.50 8.20 0.00 -0.02 -0.16 105.19 119.58 2kiv n GLY 24 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.84 2.67 0.48 1.61 3.72 0.13 -4.29 117.46 119.94 2kiv n PHE 25 Ca 0.00 -2.92 0.09 0.00 -0.05 0.00 0.00 57.45 54.57 2kiv n PHE 25 Cb 0.00 -2.42 -0.12 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 4.59 0.84 -4.24 4.37 5.68 -1.26 -1.69 116.55 124.84 2kiv n ASP 26 Ca 0.67 -0.54 -0.34 0.00 -0.50 0.00 0.00 54.79 54.08 2kiv n ASP 26 Cb 0.28 1.34 -0.15 0.00 -1.14 0.00 0.00 41.12 41.45 2kiv n ASP 26 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 2kiv s ASN 27 N -3.24 3.68 0.63 -1.12 -0.87 -1.26 -4.32 114.94 108.44 2kiv s ASN 27 Ca 0.01 -0.49 0.33 0.00 -1.57 0.00 0.00 52.86 51.15 2kiv s ASN 27 Cb 0.13 -1.58 1.86 0.00 -0.02 0.00 0.00 41.25 41.64 2kiv s ASN 27 CO 0.73 0.05 2.13 0.58 -2.57 0.00 0.00 177.10 178.02 2kiv h VAL 28 N 5.73 0.22 -0.22 1.60 2.07 -1.91 -0.47 116.25 123.27 2kiv h VAL 28 Ca -0.37 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.17 2kiv h VAL 28 Cb 1.17 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2kiv h VAL 28 CO 0.59 0.00 0.15 -0.61 0.02 0.00 0.00 177.57 177.72 2kiv h GLN 29 N 0.00 0.21 0.00 1.57 4.15 -1.93 0.27 115.11 119.37 2kiv h GLN 29 Ca 0.04 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2kiv h GLN 29 Cb 0.41 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.05 2kiv h GLN 29 CO -0.00 0.14 0.00 0.00 -1.93 0.00 0.00 178.83 177.04 2kiv n ALA 30 N -2.52 1.33 -0.47 3.38 0.00 -0.19 -1.14 120.51 120.89 2kiv n ALA 30 Ca 0.01 0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.65 2kiv n ALA 30 Cb 0.14 -1.33 0.19 0.00 0.00 0.00 0.00 19.45 18.44 2kiv n ALA 30 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2kiv n MET 31 N -2.21 2.89 -0.07 0.00 2.81 0.07 -4.64 117.12 115.98 2kiv n MET 31 Ca 0.00 -2.33 0.25 0.00 -1.81 0.00 0.00 57.70 53.81 2kiv n MET 31 Cb 0.12 -1.47 0.72 0.00 -0.71 0.00 0.00 33.22 31.88 2kiv n MET 31 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2kiv h GLY 32 N 1.89 0.00 -0.09 3.03 0.00 -1.06 -3.42 103.07 103.42 2kiv h GLY 32 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2kiv h GLY 32 CO 0.08 0.00 -0.07 1.44 0.00 0.00 0.00 176.54 177.99 2kiv n SER 33 N -4.09 1.79 -1.68 0.19 7.64 -1.26 -5.02 113.62 111.18 2kiv n SER 33 Ca 0.14 -1.37 -0.02 0.00 1.01 0.00 0.00 58.87 58.62 2kiv n SER 33 Cb 0.81 0.03 0.26 0.00 -1.01 0.00 0.00 64.21 64.30 2kiv n SER 33 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2kiv n ASN 34 N -1.51 4.31 -0.24 6.43 3.02 -1.26 -4.44 115.26 121.57 2kiv n ASN 34 Ca -0.02 -2.87 0.05 0.00 -0.03 0.00 0.00 54.58 51.71 2kiv n ASN 34 Cb 0.11 -0.68 0.29 0.00 -0.61 0.00 0.00 39.78 38.90 2kiv n ASN 34 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2kiv h VAL 35 N 2.35 1.06 -1.74 2.41 3.04 -1.91 -3.39 116.25 118.06 2kiv h VAL 35 Ca 0.15 -0.31 -0.49 0.00 -1.01 0.00 0.00 66.70 65.04 2kiv h VAL 35 Cb 1.88 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 2kiv h VAL 35 CO 0.52 0.16 1.58 -0.04 -1.01 0.00 0.00 177.57 178.78 2kiv s MET 36 N -5.79 2.36 0.37 4.17 1.00 -1.26 -4.93 119.30 115.22 2kiv s MET 36 Ca -0.11 1.46 0.02 0.00 0.00 0.00 0.00 55.69 57.06 2kiv s MET 36 Cb 0.19 -4.52 0.02 0.00 0.00 0.00 0.00 34.83 30.53 2kiv s MET 36 CO 0.78 -2.99 0.19 0.39 0.00 0.00 0.00 175.02 173.39 2kiv n GLU 37 N 8.97 1.00 -0.25 2.03 1.02 -1.26 -4.75 120.64 127.39 2kiv n GLU 37 Ca 0.34 -2.46 0.12 0.00 -0.02 0.00 0.00 57.16 55.14 2kiv n GLU 37 Cb 0.53 0.40 0.39 0.00 -0.02 0.00 0.00 31.44 32.74 2kiv n GLU 37 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2kiv h ASP 38 N 0.59 0.62 0.10 1.62 2.03 -1.97 -1.09 116.42 118.32 2kiv h ASP 38 Ca -0.26 0.03 0.01 0.00 -0.73 0.00 0.00 57.03 56.09 2kiv h ASP 38 Cb 0.89 -0.09 -0.05 0.00 -0.83 0.00 0.00 39.33 39.25 2kiv h ASP 38 CO 0.42 0.32 -0.53 1.56 -1.03 0.00 0.00 179.24 179.98 2kiv h GLN 39 N 0.66 -0.72 -0.52 4.15 4.20 -1.96 -0.16 115.11 120.76 2kiv h GLN 39 Ca 0.42 0.05 -0.06 0.00 0.06 0.00 0.00 58.65 59.12 2kiv h GLN 39 Cb 0.70 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 2kiv h GLN 39 CO -0.18 -0.48 0.10 -0.44 -0.67 0.00 0.00 178.83 177.16 2kiv h ASP 40 N -0.74 0.82 -1.00 1.46 3.32 -1.83 0.75 116.42 119.20 2kiv h ASP 40 Ca -0.00 -0.25 0.21 0.00 0.02 0.00 0.00 57.03 57.00 2kiv h ASP 40 Cb 0.76 -0.22 -0.11 0.00 0.22 0.00 0.00 39.33 39.98 2kiv h ASP 40 CO -0.30 0.86 0.61 0.25 -1.72 0.00 0.00 179.24 178.95 2kiv h LEU 41 N 0.75 0.72 0.00 1.55 5.85 -0.77 0.32 115.31 123.72 2kiv h LEU 41 Ca 0.16 0.10 -0.22 0.00 0.84 0.00 0.00 57.88 58.76 2kiv h LEU 41 Cb 0.38 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 2kiv h LEU 41 CO 0.01 0.22 -1.38 0.25 -0.34 0.00 0.00 178.44 177.20 2kiv h LEU 42 N 0.68 0.00 -0.85 2.25 7.12 -0.78 -3.31 115.31 120.42 2kiv h LEU 42 Ca 0.59 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.60 2kiv h LEU 42 Cb 1.03 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.16 2kiv h LEU 42 CO -0.38 0.81 0.00 -0.08 -0.13 0.00 0.00 178.44 178.66 2kiv h GLU 43 N 0.00 0.00 -0.00 1.25 4.81 0.13 -3.20 114.58 117.56 2kiv h GLU 43 Ca -0.17 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 2kiv h GLU 43 Cb 1.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.15 2kiv h GLU 43 CO 0.07 0.00 -0.02 0.82 -0.73 0.00 0.00 179.01 179.15 2kiv h ILE 44 N 0.00 1.55 0.00 2.32 2.04 -0.56 -3.48 117.51 119.38 2kiv h ILE 44 Ca 0.00 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.20 2kiv h ILE 44 Cb 0.59 2.67 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 2kiv h ILE 44 CO 0.00 0.43 0.00 0.61 0.00 0.00 0.00 178.15 179.19 2kiv n GLY 45 N 0.81 0.41 3.51 5.37 0.00 -1.21 -4.97 105.19 109.11 2kiv n GLY 45 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 2kiv n GLY 45 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kiv n ILE 46 N 0.00 0.02 -0.10 -0.61 2.08 -1.24 -4.74 119.36 114.77 2kiv n ILE 46 Ca 0.00 -0.45 -0.19 0.00 0.56 0.00 0.00 62.75 62.67 2kiv n ILE 46 Cb 0.00 -1.93 -0.08 0.00 -0.75 0.00 0.00 39.64 36.88 2kiv n ILE 46 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 2kiv n LEU 47 N 12.90 2.06 -4.66 1.39 7.94 -1.26 -4.75 117.00 130.62 2kiv n LEU 47 Ca 0.45 0.12 -0.46 0.00 -1.11 0.00 0.00 56.01 55.01 2kiv n LEU 47 Cb 0.33 -0.65 -0.04 0.00 0.53 0.00 0.00 43.42 43.60 2kiv n LEU 47 CO 0.78 0.59 1.14 -0.46 -1.11 0.00 0.00 177.39 178.32 2kiv n ASN 48 N -3.61 2.91 -4.68 1.96 6.94 -1.26 -4.91 115.26 112.61 2kiv n ASN 48 Ca -0.39 1.10 -0.43 0.00 -0.02 0.00 0.00 54.58 54.84 2kiv n ASN 48 Cb 0.82 -1.41 -0.02 0.00 -2.36 0.00 0.00 39.78 36.81 2kiv n ASN 48 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2kiv s SER 49 N 0.77 7.08 0.00 0.53 0.15 -1.26 -3.93 113.70 117.04 2kiv s SER 49 Ca 0.77 1.68 0.00 0.00 0.70 0.00 0.00 55.95 59.11 2kiv s SER 49 Cb -0.70 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.06 2kiv s SER 49 CO 0.41 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2kiv n GLY 50 N 3.34 3.73 0.20 9.45 0.00 -1.26 -4.93 105.19 115.72 2kiv n GLY 50 Ca 0.11 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 2kiv n GLY 50 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2kiv h HIS 51 N 0.00 1.02 -0.64 1.61 6.17 -1.98 -3.16 115.15 118.17 2kiv h HIS 51 Ca 0.00 -0.52 0.12 0.00 0.71 0.00 0.00 60.37 60.68 2kiv h HIS 51 Cb 0.00 -0.13 -0.09 0.00 2.52 0.00 0.00 27.41 29.71 2kiv h HIS 51 CO 0.00 1.36 0.18 0.07 0.71 0.00 0.00 177.93 180.24 2kiv h ARG 52 N 0.40 0.31 -0.47 5.26 -0.00 -1.92 0.39 114.38 118.34 2kiv h ARG 52 Ca -0.10 -0.02 -0.05 0.00 -0.00 0.00 0.00 59.98 59.81 2kiv h ARG 52 Cb 1.57 -0.07 -0.02 0.00 -0.00 0.00 0.00 29.97 31.45 2kiv h ARG 52 CO 0.18 0.20 0.07 0.37 -0.00 0.00 0.00 179.97 180.80 2kiv h GLN 53 N 0.31 0.73 0.09 0.08 5.75 -1.92 -0.60 115.11 119.55 2kiv h GLN 53 Ca 0.34 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.68 2kiv h GLN 53 Cb 0.51 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.95 2kiv h GLN 53 CO -0.40 0.69 -0.04 0.00 -2.65 0.00 0.00 178.83 176.43 2kiv h ARG 54 N 0.70 -0.11 0.11 1.69 3.08 -0.94 -0.81 114.38 118.10 2kiv h ARG 54 Ca 0.15 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 2kiv h ARG 54 Cb 0.32 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2kiv h ARG 54 CO 0.00 0.07 -0.05 0.82 -1.07 0.00 0.00 179.97 179.74 2kiv h ILE 55 N -0.28 1.01 -0.21 2.04 2.04 -1.07 0.21 117.51 121.24 2kiv h ILE 55 Ca -0.01 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.45 2kiv h ILE 55 Cb 0.24 1.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.55 2kiv h ILE 55 CO 0.02 0.11 -0.21 0.25 0.00 0.00 0.00 178.15 178.32 2kiv h LEU 56 N -0.36 -0.66 0.15 1.44 6.46 -1.12 0.27 115.31 121.48 2kiv h LEU 56 Ca -0.02 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 2kiv h LEU 56 Cb 0.29 0.32 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 2kiv h LEU 56 CO 0.03 -0.25 -0.07 -0.61 -0.62 0.00 0.00 178.44 176.91 2kiv h GLN 57 N -0.22 -0.20 -0.11 1.25 4.15 -1.12 0.18 115.11 119.03 2kiv h GLN 57 Ca 0.13 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.60 2kiv h GLN 57 Cb 0.42 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.09 2kiv h GLN 57 CO -0.34 0.05 -0.37 0.00 -1.93 0.00 0.00 178.83 176.23 2kiv h ALA 58 N 0.38 -0.50 0.00 3.38 0.00 -0.26 -0.48 119.26 121.77 2kiv h ALA 58 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2kiv h ALA 58 Cb 0.34 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2kiv h ALA 58 CO 0.03 -0.87 -0.29 0.97 0.00 0.00 0.00 179.25 179.10 2kiv h ILE 59 N -0.46 1.19 -0.60 0.00 2.10 -0.49 0.36 117.51 119.60 2kiv h ILE 59 Ca 0.08 -0.99 -0.02 0.00 1.08 0.00 0.00 64.86 65.01 2kiv h ILE 59 Cb 0.60 1.54 -0.03 0.00 -1.09 0.00 0.00 36.82 37.84 2kiv h ILE 59 CO -0.37 0.28 0.31 1.56 -1.08 0.00 0.00 178.15 178.85 2kiv h GLN 60 N 0.00 0.84 0.00 2.19 1.08 0.82 -3.37 115.11 116.68 2kiv h GLN 60 Ca -0.00 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 2kiv h GLN 60 Cb 0.51 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 2kiv h GLN 60 CO 0.04 0.67 -0.32 -0.11 -0.95 0.00 0.00 178.83 178.15 2kiv n LEU 61 N -4.55 0.92 -3.41 1.46 -0.00 -0.34 -4.91 117.00 106.18 2kiv n LEU 61 Ca 0.04 0.36 -0.27 0.00 -0.00 0.00 0.00 56.01 56.14 2kiv n LEU 61 Cb 0.11 -0.67 0.02 0.00 -0.00 0.00 0.00 43.42 42.88 2kiv n LEU 61 CO 0.37 -0.46 -0.15 0.18 -0.00 0.00 0.00 177.39 177.33 2kiv n LEU 62 N -3.45 -3.80 -4.56 -1.96 4.77 0.12 -4.76 117.00 103.37 2kiv n LEU 62 Ca -0.05 -0.19 -0.29 0.00 -0.03 0.00 0.00 56.01 55.45 2kiv n LEU 62 Cb 0.17 -2.11 -0.05 0.00 -2.33 0.00 0.00 43.42 39.11 2kiv n LEU 62 CO 0.07 -0.48 1.40 -2.16 -1.33 0.00 0.00 177.39 174.89 2kiv s PRO 63 N -3.07 2.58 -0.01 3.23 0.04 -1.26 -4.92 135.00 131.59 2kiv s PRO 63 Ca 0.24 -0.10 -0.02 0.00 0.04 0.00 0.00 61.00 61.16 2kiv s PRO 63 Cb -0.03 -4.91 -0.00 0.00 0.04 0.00 0.00 34.50 29.59 2kiv s PRO 63 CO 0.85 -3.22 0.05 0.15 0.04 0.00 0.00 177.00 174.87 2kiv s LYS 64 N 7.00 0.19 -0.05 4.56 -0.14 -1.26 -5.04 119.74 125.00 2kiv s LYS 64 Ca 0.69 -0.17 0.07 0.00 -1.36 0.00 0.00 55.97 55.21 2kiv s LYS 64 Cb -0.08 0.08 -0.11 0.00 -1.68 0.00 0.00 37.83 36.04 2kiv s LYS 64 CO 0.04 -0.03 0.09 0.00 -0.76 0.00 0.00 175.35 174.69 2kiv n MET 65 N 2.44 1.67 0.19 1.68 0.00 -1.26 -4.70 117.12 117.14 2kiv n MET 65 Ca -0.17 -0.03 -0.16 0.00 0.00 0.00 0.00 57.70 57.34 2kiv n MET 65 Cb 0.58 -1.19 -0.08 0.00 0.00 0.00 0.00 33.22 32.53 2kiv n MET 65 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 2kiv h ARG 66 N 0.00 -0.73 -5.71 3.17 9.65 -2.01 -3.35 114.38 115.41 2kiv h ARG 66 Ca -0.11 0.05 -0.29 0.00 -1.10 0.00 0.00 59.98 58.52 2kiv h ARG 66 Cb 0.99 0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 29.68 2kiv h ARG 66 CO 0.01 -0.48 0.74 -1.25 2.80 0.00 0.00 179.97 181.78 2kiv s PRO 67 N -5.93 2.55 0.12 0.20 0.04 -1.26 -4.91 135.00 125.80 2kiv s PRO 67 Ca -0.17 -0.32 0.01 0.00 0.04 0.00 0.00 61.00 60.56 2kiv s PRO 67 Cb 0.06 -5.07 -0.04 0.00 0.04 0.00 0.00 34.50 29.49 2kiv s PRO 67 CO 0.63 -3.40 -0.02 0.96 0.04 0.00 0.00 177.00 175.20 2kiv s ILE 68 N 10.13 0.54 0.00 0.56 -4.36 -1.26 -5.05 121.20 121.77 2kiv s ILE 68 Ca 0.70 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 59.16 2kiv s ILE 68 Cb -0.06 -1.86 0.00 0.00 1.25 0.00 0.00 42.46 41.78 2kiv s ILE 68 CO -0.00 -0.69 0.00 0.61 0.24 0.00 0.00 174.94 175.09 2kiv n GLY 69 N -0.10 -0.85 3.07 6.27 0.00 -1.26 -5.02 105.19 107.31 2kiv n GLY 69 Ca -0.09 0.30 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -1.96 -3.70 1.61 8.25 -1.26 -4.98 115.22 113.19 2kiv n HIS 70 Ca 0.00 0.52 -0.13 0.00 -0.26 0.00 0.00 57.72 57.85 2kiv n HIS 70 Cb 0.00 -4.30 -0.13 0.00 1.12 0.00 0.00 29.99 26.68 2kiv n HIS 70 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2kiv s ASP 71 N -2.71 -0.07 0.00 0.41 2.15 -1.26 -5.13 116.67 110.06 2kiv s ASP 71 Ca 0.32 0.57 0.00 0.00 0.43 0.00 0.00 52.55 53.87 2kiv s ASP 71 Cb -0.14 0.53 0.00 0.00 -0.30 0.00 0.00 42.92 43.01 2kiv s ASP 71 CO 0.39 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.81 2kiv n GLY 72 N 4.62 4.26 3.57 2.66 0.00 -1.26 -5.14 105.19 113.89 2kiv n GLY 72 Ca -0.19 -1.41 -0.04 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.02 -1.82 -0.03 4.61 0.00 -1.26 -5.16 121.76 116.08 2kiv s ALA 73 Ca 0.00 2.20 -0.03 0.00 0.00 0.00 0.00 51.96 54.13 2kiv s ALA 73 Cb 0.00 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.55 2kiv s ALA 73 CO 0.00 -0.72 0.08 -1.58 0.00 0.00 0.00 175.76 173.53 2kiv s HIS 74 N 2.44 -0.08 -0.31 0.00 2.46 -1.26 -5.12 115.29 113.42 2kiv s HIS 74 Ca -0.07 0.20 -0.29 0.00 0.47 0.00 0.00 55.06 55.38 2kiv s HIS 74 Cb -0.10 0.03 -0.02 0.00 -0.13 0.00 0.00 32.58 32.36 2kiv s HIS 74 CO -0.18 -0.04 1.68 -1.25 -2.47 0.00 0.00 174.74 172.48 2kiv s PRO 75 N 0.03 3.51 0.04 2.88 0.04 -1.26 -4.98 135.00 135.26 2kiv s PRO 75 Ca -0.00 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.45 2kiv s PRO 75 Cb -0.01 -4.12 -0.03 0.00 0.04 0.00 0.00 34.50 30.38 2kiv s PRO 75 CO 0.00 -1.64 -0.04 0.95 0.04 0.00 0.00 177.00 176.31 2kiv s THR 76 N 6.14 0.29 0.69 1.26 -4.23 -1.26 -5.15 115.64 113.38 2kiv s THR 76 Ca 0.74 -1.37 -0.06 0.00 -1.18 0.00 0.00 61.69 59.81 2kiv s THR 76 Cb -0.22 -0.92 0.06 0.00 1.34 0.00 0.00 72.50 72.76 2kiv s THR 76 CO 0.32 -0.70 1.00 -0.55 -0.54 0.00 0.00 174.62 174.15 2kiv s SER 77 N -2.18 4.89 0.45 3.99 0.15 -1.26 -4.65 113.70 115.09 2kiv s SER 77 Ca -0.04 0.47 0.20 0.00 0.70 0.00 0.00 55.95 57.28 2kiv s SER 77 Cb -0.02 -1.15 1.18 0.00 -1.71 0.00 0.00 66.02 64.32 2kiv s SER 77 CO -0.04 -1.54 1.89 0.58 1.20 0.00 0.00 173.24 175.32 2kiv h VAL 78 N -0.55 0.69 0.21 4.45 2.07 -1.86 0.27 116.25 121.53 2kiv h VAL 78 Ca -0.44 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 2kiv h VAL 78 Cb 1.31 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2kiv h VAL 78 CO 0.60 0.05 -0.10 0.00 0.02 0.00 0.00 177.57 178.14 2kiv h ALA 79 N 1.62 -1.02 0.00 1.67 0.00 -1.92 0.34 119.26 119.95 2kiv h ALA 79 Ca 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2kiv h ALA 79 Cb 1.17 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2kiv h ALA 79 CO -0.12 -1.00 0.00 0.93 0.00 0.00 0.00 179.25 179.06 2kiv h GLU 80 N -0.30 0.00 0.13 0.00 4.39 -1.87 0.25 114.58 117.18 2kiv h GLU 80 Ca -0.03 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.38 2kiv h GLU 80 Cb 0.22 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2kiv h GLU 80 CO 0.05 0.00 -1.24 2.35 -1.16 0.00 0.00 179.01 179.00 2kiv h TRP 81 N 0.00 0.78 0.10 4.33 7.01 -0.27 -2.96 115.95 124.93 2kiv h TRP 81 Ca 0.00 -0.52 -0.35 0.00 2.11 0.00 0.00 58.89 60.13 2kiv h TRP 81 Cb 0.20 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.18 2kiv h TRP 81 CO 0.00 1.38 -1.97 1.28 -2.79 0.00 0.00 178.44 176.34 2kiv n LEU 82 N -3.69 2.32 0.17 0.65 4.77 0.09 -3.54 117.00 117.78 2kiv n LEU 82 Ca -0.11 0.23 0.13 0.00 -0.03 0.00 0.00 56.01 56.23 2kiv n LEU 82 Cb 1.00 -0.87 0.58 0.00 -2.33 0.00 0.00 43.42 41.80 2kiv n LEU 82 CO 0.56 0.78 0.89 -0.78 -1.33 0.00 0.00 177.39 177.50 2kiv h ASP 83 N 0.06 0.00 0.38 -1.43 1.82 -0.68 -1.74 116.42 114.82 2kiv h ASP 83 Ca -0.41 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.23 2kiv h ASP 83 Cb 2.03 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.04 2kiv h ASP 83 CO 0.08 0.00 -1.38 -0.24 -1.61 0.00 0.00 179.24 176.09 2kiv n SER 84 N -2.40 0.47 0.00 2.28 2.88 -1.12 -4.66 113.62 111.07 2kiv n SER 84 Ca 0.01 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2kiv n SER 84 Cb 0.18 1.18 0.00 0.00 -0.75 0.00 0.00 64.21 64.82 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 -2.21 0.00 0.00 2.46 5.41 -0.68 -5.05 119.36 119.28 2kiv n ILE 85 Ca -0.01 0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.88 2kiv n ILE 85 Cb 0.51 -0.66 0.00 0.00 -0.71 0.00 0.00 39.64 38.78 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 -1.20 0.00 -4.80 0.38 -0.58 -1.04 -5.09 120.64 108.32 2kiv n GLU 86 Ca 0.00 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.41 2kiv n GLU 86 Cb 0.00 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 30.73 2kiv n GLU 86 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 2kiv s LEU 87 N -4.55 2.77 0.00 -4.62 2.34 -1.24 -4.88 118.68 108.50 2kiv s LEU 87 Ca 0.00 -0.25 0.23 0.00 0.06 0.00 0.00 54.13 54.16 2kiv s LEU 87 Cb 0.00 -1.60 0.02 0.00 -0.56 0.00 0.00 46.19 44.05 2kiv s LEU 87 CO 0.00 0.24 1.11 0.61 -1.06 0.00 0.00 176.35 177.25 2kiv n GLY 88 N 3.01 0.18 0.34 -3.48 0.00 -1.25 -4.23 105.19 99.76 2kiv n GLY 88 Ca -0.18 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.23 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 2.76 0.89 -0.26 1.61 3.58 -1.94 0.16 116.42 123.22 2kiv h ASP 89 Ca 0.00 0.03 0.08 0.00 0.42 0.00 0.00 57.03 57.55 2kiv h ASP 89 Cb 0.79 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 2kiv h ASP 89 CO 0.00 0.54 0.34 1.88 -2.88 0.00 0.00 179.24 179.12 2kiv h TYR 90 N 1.01 0.00 -1.15 0.28 0.05 -1.99 -1.27 116.97 113.90 2kiv h TYR 90 Ca 0.43 0.00 0.32 0.00 0.05 0.00 0.00 58.73 59.53 2kiv h TYR 90 Cb 0.28 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 37.95 2kiv h TYR 90 CO -0.02 0.00 0.80 1.15 -1.05 0.00 0.00 178.16 179.03 2kiv h THR 91 N 0.00 0.43 0.48 -2.88 2.02 -1.26 -0.13 112.91 111.57 2kiv h THR 91 Ca 0.12 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 2kiv h THR 91 Cb 0.81 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2kiv h THR 91 CO -0.00 0.03 -0.23 0.50 0.37 0.00 0.00 175.52 176.18 2kiv h LYS 92 N 0.14 -0.62 -0.69 6.66 3.11 -1.42 -0.85 116.57 122.90 2kiv h LYS 92 Ca 0.59 0.04 0.01 0.00 -2.81 0.00 0.00 60.65 58.48 2kiv h LYS 92 Cb 2.04 0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 33.37 2kiv h LYS 92 CO -0.13 -0.33 0.45 0.00 -2.81 0.00 0.00 179.45 176.64 2kiv h ALA 93 N -0.45 0.87 -0.17 5.00 0.00 -1.28 -1.30 119.26 121.92 2kiv h ALA 93 Ca -0.07 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2kiv h ALA 93 Cb 0.58 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2kiv h ALA 93 CO 0.11 0.29 0.07 0.74 0.00 0.00 0.00 179.25 180.46 2kiv h PHE 94 N 0.93 0.12 0.94 0.00 0.04 -1.10 0.20 116.94 118.07 2kiv h PHE 94 Ca 0.25 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.98 2kiv h PHE 94 Cb -0.11 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.02 2kiv h PHE 94 CO -0.03 0.06 -0.45 -0.07 -0.60 0.00 0.00 178.31 177.23 2kiv h LEU 95 N 0.15 -1.07 -2.04 1.54 3.38 -0.88 -0.11 115.31 116.28 2kiv h LEU 95 Ca 0.07 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.17 2kiv h LEU 95 Cb 0.03 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2kiv h LEU 95 CO -0.07 -0.77 0.25 0.16 0.09 0.00 0.00 178.44 178.11 2kiv h ILE 96 N -1.27 0.75 0.00 1.22 3.07 -1.20 0.17 117.51 120.26 2kiv h ILE 96 Ca -0.13 0.00 -0.06 0.00 1.55 0.00 0.00 64.86 66.22 2kiv h ILE 96 Cb 0.97 0.82 -0.01 0.00 -0.27 0.00 0.00 36.82 38.33 2kiv h ILE 96 CO 0.21 0.00 -0.30 0.78 -1.05 0.00 0.00 178.15 177.79 2kiv h ASN 97 N 0.00 0.00 0.00 2.16 -0.26 -0.18 -3.47 115.58 113.83 2kiv h ASN 97 Ca 0.16 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 2kiv h ASN 97 Cb 0.65 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.91 2kiv h ASN 97 CO -0.00 0.30 0.00 0.61 -1.06 0.00 0.00 177.43 177.28 2kiv n GLY 98 N 0.09 1.90 2.20 2.83 0.00 0.61 -5.02 105.19 107.81 2kiv n GLY 98 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.59 2.93 0.08 1.61 4.01 -0.12 -4.59 117.16 120.49 2kiv n TYR 99 Ca 0.00 -2.30 0.17 0.00 -0.16 0.00 0.00 57.90 55.61 2kiv n TYR 99 Cb 0.00 -1.14 0.70 0.00 -0.31 0.00 0.00 39.34 38.59 2kiv n TYR 99 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2kiv h THR 100 N 0.96 0.74 -3.31 -0.72 1.35 -1.82 -3.40 112.91 106.71 2kiv h THR 100 Ca 0.58 0.00 -0.61 0.00 -0.55 0.00 0.00 66.41 65.83 2kiv h THR 100 Cb 1.82 0.80 -0.14 0.00 -1.73 0.00 0.00 68.15 68.89 2kiv h THR 100 CO 1.25 0.00 -0.53 -0.55 -0.25 0.00 0.00 175.52 175.44 2kiv s SER 101 N -6.30 5.89 0.14 5.36 0.15 -1.26 -4.77 113.70 112.91 2kiv s SER 101 Ca -0.05 0.14 -0.18 0.00 0.70 0.00 0.00 55.95 56.56 2kiv s SER 101 Cb 0.18 -2.03 -0.00 0.00 -1.71 0.00 0.00 66.02 62.47 2kiv s SER 101 CO 0.69 0.16 1.75 -0.03 1.20 0.00 0.00 173.24 177.02 2kiv h MET 102 N 6.78 0.23 -0.84 5.44 4.05 -1.83 -1.48 114.93 127.28 2kiv h MET 102 Ca -0.39 -0.01 0.23 0.00 -0.28 0.00 0.00 59.70 59.25 2kiv h MET 102 Cb 1.16 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.87 2kiv h MET 102 CO 0.72 0.15 0.59 0.22 0.23 0.00 0.00 176.91 178.83 2kiv h ASP 103 N 0.24 0.08 -0.82 1.39 3.58 -1.94 0.13 116.42 119.06 2kiv h ASP 103 Ca 0.12 0.01 0.10 0.00 0.42 0.00 0.00 57.03 57.68 2kiv h ASP 103 Cb 0.08 -0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.06 2kiv h ASP 103 CO -0.11 0.03 0.54 0.25 -2.88 0.00 0.00 179.24 177.06 2kiv h LEU 104 N 0.08 0.68 -2.09 2.28 6.46 -1.63 0.15 115.31 121.24 2kiv h LEU 104 Ca 0.41 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 58.17 2kiv h LEU 104 Cb 1.50 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 41.31 2kiv h LEU 104 CO -0.04 0.40 -0.08 -0.07 -0.62 0.00 0.00 178.44 178.03 2kiv h LEU 105 N 0.75 0.00 -0.06 2.25 3.38 -0.82 -0.44 115.31 120.37 2kiv h LEU 105 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2kiv h LEU 105 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2kiv h LEU 105 CO -0.15 0.08 -0.05 1.17 0.09 0.00 0.00 178.44 179.58 2kiv n LYS 106 N -3.55 0.45 -0.95 1.13 0.00 0.53 -3.29 118.16 112.48 2kiv n LYS 106 Ca -0.02 -0.06 -0.08 0.00 0.00 0.00 0.00 58.31 58.15 2kiv n LYS 106 Cb 0.20 -1.50 0.24 0.00 0.00 0.00 0.00 35.03 33.98 2kiv n LYS 106 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2kiv n LYS 107 N -1.22 2.79 -3.91 1.64 4.81 -0.17 -4.95 118.16 117.16 2kiv n LYS 107 Ca 0.14 -3.07 -0.10 0.00 -0.87 0.00 0.00 58.31 54.40 2kiv n LYS 107 Cb 0.26 -2.06 -0.11 0.00 0.02 0.00 0.00 35.03 33.14 2kiv n LYS 107 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 2kiv s ILE 108 N -3.12 0.08 0.30 3.15 -4.36 -1.21 -5.09 121.20 110.96 2kiv s ILE 108 Ca 0.51 -0.66 0.03 0.00 -0.26 0.00 0.00 60.65 60.27 2kiv s ILE 108 Cb 0.43 -0.32 0.03 0.00 1.25 0.00 0.00 42.46 43.85 2kiv s ILE 108 CO 0.09 -0.36 0.24 0.00 0.24 0.00 0.00 174.94 175.15 2kiv n ALA 109 N 1.77 0.48 0.07 2.27 0.00 -1.26 -4.93 120.51 118.90 2kiv n ALA 109 Ca -0.22 -1.20 -0.14 0.00 0.00 0.00 0.00 53.44 51.88 2kiv n ALA 109 Cb 0.56 0.49 -0.08 0.00 0.00 0.00 0.00 19.45 20.42 2kiv n ALA 109 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2kiv h GLU 110 N 0.00 -0.60 -0.82 0.00 4.81 -1.99 -0.67 114.58 115.30 2kiv h GLU 110 Ca -0.19 0.04 0.14 0.00 -0.13 0.00 0.00 59.36 59.22 2kiv h GLU 110 Cb 0.69 0.14 -0.09 0.00 0.63 0.00 0.00 28.75 30.12 2kiv h GLU 110 CO 0.29 -0.40 0.41 -0.24 -0.73 0.00 0.00 179.01 178.34 2kiv h VAL 111 N -0.62 0.74 -0.46 0.32 3.04 -1.97 0.27 116.25 117.57 2kiv h VAL 111 Ca 0.03 -0.21 0.04 0.00 -1.01 0.00 0.00 66.70 65.55 2kiv h VAL 111 Cb 0.69 0.08 -0.04 0.00 -2.01 0.00 0.00 31.29 30.01 2kiv h VAL 111 CO -0.32 0.11 0.24 -0.33 -1.01 0.00 0.00 177.57 176.26 2kiv h GLU 112 N 0.61 0.46 -0.45 4.17 4.39 -1.68 0.38 114.58 122.45 2kiv h GLU 112 Ca 0.44 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 60.01 2kiv h GLU 112 Cb 0.60 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 2kiv h GLU 112 CO -0.35 0.30 -0.13 1.25 -1.16 0.00 0.00 179.01 178.93 2kiv h LEU 113 N 0.47 0.82 -0.72 1.33 6.46 0.09 0.35 115.31 124.12 2kiv h LEU 113 Ca 0.20 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 2kiv h LEU 113 Cb 0.09 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.80 2kiv h LEU 113 CO -0.13 0.96 0.00 0.40 -0.62 0.00 0.00 178.44 179.05 2kiv h ILE 114 N 0.74 0.00 0.00 4.05 2.04 -0.40 0.36 117.51 124.30 2kiv h ILE 114 Ca 0.12 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 2kiv h ILE 114 Cb 0.63 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 2kiv h ILE 114 CO 0.04 0.00 -1.74 0.59 0.00 0.00 0.00 178.15 177.05 2kiv n ASN 115 N -3.07 0.23 -0.07 1.72 4.13 0.13 -3.31 115.26 115.02 2kiv n ASN 115 Ca 0.02 0.09 -0.08 0.00 1.68 0.00 0.00 54.58 56.30 2kiv n ASN 115 Cb 0.42 1.55 -0.03 0.00 -1.54 0.00 0.00 39.78 40.18 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 -2.38 1.46 0.21 2.41 0.31 0.12 -4.63 118.33 115.83 2kiv n VAL 116 Ca -0.03 0.18 0.11 0.00 -0.01 0.00 0.00 64.34 64.58 2kiv n VAL 116 Cb 0.58 -2.23 0.22 0.00 -0.91 0.00 0.00 33.84 31.50 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 -0.85 0.00 -1.04 7.52 -0.00 -0.51 -3.48 115.31 116.95 2kiv h LEU 117 Ca -0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.57 2kiv h LEU 117 Cb 0.85 0.00 0.12 0.00 -0.00 0.00 0.00 40.66 41.63 2kiv h LEU 117 CO -0.00 0.11 -0.55 0.29 -0.00 0.00 0.00 178.44 178.28 2kiv n LYS 118 N -3.14 -6.12 -2.90 1.13 5.02 -0.54 -4.96 118.16 106.66 2kiv n LYS 118 Ca 0.03 0.66 -0.43 0.00 -2.02 0.00 0.00 58.31 56.55 2kiv n LYS 118 Cb 0.53 -5.17 -0.05 0.00 -0.02 0.00 0.00 35.03 30.32 2kiv n LYS 118 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2kiv s ILE 119 N -3.26 4.62 -0.15 -0.18 1.01 -1.24 -4.86 121.20 117.14 2kiv s ILE 119 Ca 0.38 0.80 0.08 0.00 0.00 0.00 0.00 60.65 61.91 2kiv s ILE 119 Cb -0.17 -4.32 -0.15 0.00 0.01 0.00 0.00 42.46 37.84 2kiv s ILE 119 CO 0.58 -0.62 -0.02 0.59 0.00 0.00 0.00 174.94 175.47 2kiv n ASN 120 N 6.74 2.02 -4.68 3.58 4.13 -1.26 -4.66 115.26 121.14 2kiv n ASN 120 Ca 0.04 -0.03 -0.45 0.00 1.68 0.00 0.00 54.58 55.82 2kiv n ASN 120 Cb 0.48 0.45 -0.03 0.00 -1.54 0.00 0.00 39.78 39.14 2kiv n ASN 120 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2kiv n LEU 121 N -2.67 3.19 0.46 3.41 7.94 -1.26 -4.88 117.00 123.19 2kiv n LEU 121 Ca -0.25 1.11 -0.19 0.00 -1.11 0.00 0.00 56.01 55.57 2kiv n LEU 121 Cb 0.90 -1.44 -0.09 0.00 0.53 0.00 0.00 43.42 43.32 2kiv n LEU 121 CO 0.25 -0.34 0.56 0.40 -1.11 0.00 0.00 177.39 177.15 2kiv h ILE 122 N 3.37 0.12 -0.26 1.96 2.04 -1.91 0.14 117.51 122.99 2kiv h ILE 122 Ca -0.45 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 65.40 2kiv h ILE 122 Cb 1.26 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 2kiv h ILE 122 CO 0.83 0.00 -0.43 1.23 0.00 0.00 0.00 178.15 179.78 2kiv h GLY 123 N -1.20 -1.21 0.46 5.37 0.00 -0.79 0.34 103.07 106.03 2kiv h GLY 123 Ca -0.12 0.73 -0.01 0.00 0.00 0.00 0.00 47.33 47.93 2kiv h GLY 123 CO 0.20 -0.26 -0.47 0.45 0.00 0.00 0.00 176.54 176.45 2kiv h HIS 124 N -0.35 -1.32 -0.23 5.60 3.86 -1.78 -0.01 115.15 120.92 2kiv h HIS 124 Ca 0.05 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.30 2kiv h HIS 124 Cb 0.48 0.52 -0.05 0.00 1.06 0.00 0.00 27.41 29.43 2kiv h HIS 124 CO -0.66 -0.62 -0.37 -0.09 0.86 0.00 0.00 177.93 177.05 2kiv h ARG 125 N -0.90 -0.29 -1.01 2.45 1.12 -0.65 0.69 114.38 115.79 2kiv h ARG 125 Ca -0.04 0.02 0.24 0.00 -1.11 0.00 0.00 59.98 59.09 2kiv h ARG 125 Cb 0.81 0.07 -0.11 0.00 -0.01 0.00 0.00 29.97 30.73 2kiv h ARG 125 CO -0.11 -0.19 0.62 -0.22 -3.11 0.00 0.00 179.97 176.96 2kiv h LYS 126 N -0.30 0.55 0.19 0.20 1.63 -0.25 -0.45 116.57 118.14 2kiv h LYS 126 Ca 0.04 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2kiv h LYS 126 Cb 0.42 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 2kiv h LYS 126 CO -0.37 0.37 -0.15 -0.09 -3.45 0.00 0.00 179.45 175.76 2kiv h ARG 127 N 0.57 -0.33 0.70 1.90 9.65 0.11 0.21 114.38 127.18 2kiv h ARG 127 Ca 0.61 0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 59.48 2kiv h ARG 127 Cb 1.22 0.08 0.01 0.00 -1.39 0.00 0.00 29.97 29.88 2kiv h ARG 127 CO -0.39 -0.22 -0.33 0.82 2.80 0.00 0.00 179.97 182.64 2kiv h ILE 128 N -0.35 0.27 -0.08 1.20 1.08 0.24 -0.06 117.51 119.82 2kiv h ILE 128 Ca -0.01 -0.11 0.04 0.00 -0.39 0.00 0.00 64.86 64.40 2kiv h ILE 128 Cb 0.31 0.31 -0.06 0.00 -3.07 0.00 0.00 36.82 34.31 2kiv h ILE 128 CO -0.01 0.01 -0.36 -0.07 -0.69 0.00 0.00 178.15 177.04 2kiv h LEU 129 N -1.01 -1.10 -0.68 1.44 4.07 -1.14 -1.00 115.31 115.89 2kiv h LEU 129 Ca -0.10 0.15 0.10 0.00 0.08 0.00 0.00 57.88 58.11 2kiv h LEU 129 Cb 0.74 0.45 -0.07 0.00 1.08 0.00 0.00 40.66 42.86 2kiv h LEU 129 CO 0.16 -0.40 0.31 0.00 -1.08 0.00 0.00 178.44 177.43 2kiv h ALA 130 N 0.25 0.92 0.31 1.53 0.00 -0.59 0.18 119.26 121.85 2kiv h ALA 130 Ca 0.08 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2kiv h ALA 130 Cb 0.58 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2kiv h ALA 130 CO -0.34 -0.11 -0.39 1.03 0.00 0.00 0.00 179.25 179.44 2kiv h SER 131 N 0.52 -1.10 -0.31 0.00 0.87 -0.09 -2.85 113.55 110.60 2kiv h SER 131 Ca 0.34 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 2kiv h SER 131 Cb 0.39 0.38 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 2kiv h SER 131 CO -0.29 -0.52 0.19 -0.07 -0.53 0.00 0.00 176.83 175.62 2kiv h LEU 132 N -0.75 0.36 -0.77 2.23 3.38 -0.84 -3.47 115.31 115.44 2kiv h LEU 132 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2kiv h LEU 132 Cb 0.70 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2kiv h LEU 132 CO -0.12 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.31 2kiv n GLY 133 N -1.10 0.95 3.91 0.83 0.00 0.59 -5.07 105.19 105.29 2kiv n GLY 133 Ca -0.01 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 2kiv n GLY 133 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kiv s ASP 134 N -2.82 5.26 0.00 1.61 2.15 -1.25 -5.08 116.67 116.54 2kiv s ASP 134 Ca 0.00 0.81 0.00 0.00 0.43 0.00 0.00 52.55 53.79 2kiv s ASP 134 Cb 0.00 -1.61 0.00 0.00 -0.30 0.00 0.00 42.92 41.01 2kiv s ASP 134 CO 0.00 -1.36 0.00 0.54 -0.17 0.00 0.00 175.17 174.18