#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 4.25 -0.08 7.34 1.11 -1.26 -5.08 119.66 125.95 2kiv s GLN 2 Ca 0.00 0.19 0.04 0.00 0.01 0.00 0.00 55.36 55.60 2kiv s GLN 2 Cb 0.00 -3.42 -0.00 0.00 -1.01 0.00 0.00 33.01 28.58 2kiv s GLN 2 CO 0.00 0.24 -0.21 0.99 0.01 0.00 0.00 175.29 176.32 2kiv s THR 3 N 0.43 1.82 0.20 -0.19 2.01 -1.26 -4.16 115.64 114.50 2kiv s THR 3 Ca 0.19 -0.90 -0.11 0.00 0.31 0.00 0.00 61.69 61.18 2kiv s THR 3 Cb -0.14 -1.58 0.15 0.00 0.01 0.00 0.00 72.50 70.95 2kiv s THR 3 CO 0.06 0.51 1.70 0.58 -0.69 0.00 0.00 174.62 176.78 2kiv h VAL 4 N 5.56 0.65 -0.73 3.82 2.07 -1.91 -0.34 116.25 125.37 2kiv h VAL 4 Ca -0.25 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.23 2kiv h VAL 4 Cb 1.21 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 2kiv h VAL 4 CO 0.47 0.04 0.48 1.23 0.02 0.00 0.00 177.57 179.81 2kiv h GLY 5 N 0.23 1.00 0.56 2.17 0.00 -1.94 0.22 103.07 105.31 2kiv h GLY 5 Ca 0.29 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2kiv h GLY 5 CO -0.39 0.28 -0.06 1.46 0.00 0.00 0.00 176.54 177.83 2kiv h GLN 6 N 0.85 -0.15 -0.12 4.80 4.20 -1.53 -0.42 115.11 122.74 2kiv h GLN 6 Ca 0.30 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.01 2kiv h GLN 6 Cb 0.11 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2kiv h GLN 6 CO -0.09 0.25 0.06 2.35 -0.67 0.00 0.00 178.83 180.73 2kiv h TRP 7 N -0.60 0.17 -0.09 2.96 7.01 -0.98 0.68 115.95 125.10 2kiv h TRP 7 Ca -0.02 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.98 2kiv h TRP 7 Cb 0.47 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.48 2kiv h TRP 7 CO 0.06 0.22 0.05 1.25 -2.79 0.00 0.00 178.44 177.23 2kiv h LEU 8 N 0.07 0.07 -1.31 0.65 5.85 -0.63 -0.89 115.31 119.12 2kiv h LEU 8 Ca 0.04 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2kiv h LEU 8 Cb 0.11 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2kiv h LEU 8 CO -0.01 0.06 0.15 -0.08 -0.34 0.00 0.00 178.44 178.22 2kiv h GLU 9 N 0.10 0.62 -0.19 1.25 4.81 -0.98 0.24 114.58 120.42 2kiv h GLU 9 Ca 0.03 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 2kiv h GLU 9 Cb -0.00 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2kiv h GLU 9 CO -0.02 0.53 0.01 1.03 -0.73 0.00 0.00 179.01 179.84 2kiv h SER 10 N 0.61 0.32 1.16 1.04 0.87 -0.35 -2.97 113.55 114.23 2kiv h SER 10 Ca 0.15 -0.29 -0.08 0.00 -1.23 0.00 0.00 61.79 60.34 2kiv h SER 10 Cb 0.17 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2kiv h SER 10 CO -0.01 0.53 -0.36 0.16 -0.53 0.00 0.00 176.83 176.62 2kiv h ILE 11 N 0.10 0.73 0.00 2.23 3.07 -0.90 -3.47 117.51 119.27 2kiv h ILE 11 Ca 0.06 -1.63 0.00 0.00 1.55 0.00 0.00 64.86 64.83 2kiv h ILE 11 Cb 0.36 2.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 2kiv h ILE 11 CO 0.01 0.35 0.00 0.61 -1.05 0.00 0.00 178.15 178.07 2kiv n GLY 12 N 0.61 1.20 3.34 0.16 0.00 0.81 -4.94 105.19 106.38 2kiv n GLY 12 Ca 0.01 0.20 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 0.23 -0.88 0.99 1.43 -1.20 -4.65 118.68 114.61 2kiv s LEU 13 Ca 0.00 -0.16 -0.23 0.00 -1.03 0.00 0.00 54.13 52.71 2kiv s LEU 13 Cb 0.00 1.94 -0.14 0.00 0.03 0.00 0.00 46.19 48.02 2kiv s LEU 13 CO 0.00 -0.82 1.91 -0.81 0.23 0.00 0.00 176.35 176.87 2kiv n PRO 14 N -0.04 1.47 -0.00 1.29 -0.04 -1.26 -4.23 135.00 132.20 2kiv n PRO 14 Ca -0.17 -2.02 0.00 0.00 -0.04 0.00 0.00 63.50 61.27 2kiv n PRO 14 Cb 0.63 -3.18 -0.00 0.00 -0.04 0.00 0.00 33.50 30.90 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 7.49 1.22 -0.09 0.54 7.27 -1.26 -4.68 117.38 127.86 2kiv n GLN 15 Ca 0.48 -0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.61 2kiv n GLN 15 Cb 0.43 -1.01 0.11 0.00 2.41 0.00 0.00 30.24 32.17 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 -1.67 0.13 0.14 3.69 4.02 -1.26 -4.74 117.16 117.47 2kiv n TYR 16 Ca -0.00 -0.79 -0.14 0.00 -0.01 0.00 0.00 57.90 56.96 2kiv n TYR 16 Cb 0.17 -0.13 -0.08 0.00 -0.02 0.00 0.00 39.34 39.28 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 0.33 -0.30 -0.16 -0.72 4.22 -1.87 -1.21 114.58 114.87 2kiv h GLU 17 Ca 0.00 0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.50 2kiv h GLU 17 Cb 0.87 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.14 2kiv h GLU 17 CO 0.02 -0.08 -0.13 -0.91 -2.18 0.00 0.00 179.01 175.73 2kiv h ASN 18 N -0.47 -0.41 0.20 1.04 -0.26 -1.94 -0.51 115.58 113.23 2kiv h ASN 18 Ca -0.03 0.08 0.01 0.00 -0.56 0.00 0.00 56.30 55.80 2kiv h ASN 18 Cb 0.35 0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.79 2kiv h ASN 18 CO 0.05 -0.17 -0.31 0.45 -1.06 0.00 0.00 177.43 176.39 2kiv h HIS 19 N -0.14 -0.85 0.11 1.19 3.86 -1.87 0.11 115.15 117.56 2kiv h HIS 19 Ca 0.10 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.34 2kiv h HIS 19 Cb 0.29 0.35 -0.05 0.00 1.06 0.00 0.00 27.41 29.06 2kiv h HIS 19 CO -0.26 -0.43 -0.52 -0.07 0.86 0.00 0.00 177.93 177.51 2kiv h LEU 20 N -0.58 -1.57 -0.05 2.43 4.07 -0.94 0.37 115.31 119.03 2kiv h LEU 20 Ca 0.01 0.17 0.04 0.00 0.08 0.00 0.00 57.88 58.17 2kiv h LEU 20 Cb 0.58 0.58 -0.06 0.00 1.08 0.00 0.00 40.66 42.84 2kiv h LEU 20 CO -0.13 -0.54 -0.40 -0.03 -1.08 0.00 0.00 178.44 176.25 2kiv h MET 21 N -0.73 -0.50 -0.07 1.13 4.05 -0.41 0.47 114.93 118.87 2kiv h MET 21 Ca -0.00 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.47 2kiv h MET 21 Cb 0.74 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.65 2kiv h MET 21 CO -0.29 -0.33 0.14 0.00 0.23 0.00 0.00 176.91 176.66 2kiv h ALA 22 N 0.09 1.44 -0.40 0.39 0.00 -0.48 0.23 119.26 120.53 2kiv h ALA 22 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kiv h ALA 22 Cb 0.62 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2kiv h ALA 22 CO -0.34 -0.17 0.00 0.09 0.00 0.00 0.00 179.25 178.83 2kiv n ASN 23 N -3.43 3.99 0.00 0.00 4.13 0.13 -4.87 115.26 115.21 2kiv n ASN 23 Ca -0.01 -2.54 0.00 0.00 1.68 0.00 0.00 54.58 53.71 2kiv n ASN 23 Cb 0.23 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 37.88 2kiv n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kiv n GLY 24 N 0.54 3.12 2.59 7.41 0.00 0.80 -0.09 105.19 119.57 2kiv n GLY 24 Ca 0.18 0.00 -0.38 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 -1.26 2.65 0.02 1.61 3.72 0.14 -4.37 117.46 119.96 2kiv n PHE 25 Ca 0.00 -2.77 0.08 0.00 -0.05 0.00 0.00 57.45 54.71 2kiv n PHE 25 Cb 0.00 -2.33 -0.11 0.00 -0.94 0.00 0.00 39.48 36.10 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 5.04 0.35 -3.92 4.37 5.75 -1.26 -1.94 116.55 124.95 2kiv n ASP 26 Ca 0.61 0.14 -0.21 0.00 -0.01 0.00 0.00 54.79 55.32 2kiv n ASP 26 Cb 0.30 1.23 -0.16 0.00 -1.03 0.00 0.00 41.12 41.45 2kiv n ASP 26 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2kiv s ASN 27 N -5.01 1.23 0.59 -1.12 2.47 -1.26 -4.43 114.94 107.39 2kiv s ASN 27 Ca -0.05 -0.17 0.28 0.00 0.42 0.00 0.00 52.86 53.34 2kiv s ASN 27 Cb 0.11 -0.55 1.57 0.00 -1.45 0.00 0.00 41.25 40.93 2kiv s ASN 27 CO 0.86 -0.04 2.02 0.58 -3.72 0.00 0.00 177.10 176.79 2kiv h VAL 28 N 6.11 0.44 -0.01 -5.21 2.07 -1.89 0.11 116.25 117.86 2kiv h VAL 28 Ca -0.35 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2kiv h VAL 28 Cb 1.16 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2kiv h VAL 28 CO 0.46 0.00 0.04 -0.61 0.02 0.00 0.00 177.57 177.48 2kiv h GLN 29 N 0.00 0.00 0.00 1.57 4.15 -1.95 -0.87 115.11 118.01 2kiv h GLN 29 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 2kiv h GLN 29 Cb 0.77 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.46 2kiv h GLN 29 CO -0.00 0.00 0.01 0.00 -1.93 0.00 0.00 178.83 176.91 2kiv h ALA 30 N 1.93 1.01 -0.10 3.38 0.00 -1.17 0.17 119.26 124.48 2kiv h ALA 30 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kiv h ALA 30 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2kiv h ALA 30 CO -0.00 -0.01 0.00 -1.33 0.00 0.00 0.00 179.25 177.91 2kiv n MET 31 N -3.00 1.40 -1.67 0.00 2.81 -0.33 -4.39 117.12 111.93 2kiv n MET 31 Ca -0.03 -0.60 -0.50 0.00 -1.81 0.00 0.00 57.70 54.77 2kiv n MET 31 Cb 0.07 -1.32 -0.05 0.00 -0.71 0.00 0.00 33.22 31.21 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 0.95 1.14 3.25 3.03 0.00 0.59 -0.90 105.19 113.25 2kiv n GLY 32 Ca 0.14 0.79 -0.22 0.00 0.00 0.00 0.00 46.02 46.74 2kiv n GLY 32 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kiv n SER 33 N 4.98 -5.96 -3.67 1.61 2.88 -1.26 -4.76 113.62 107.44 2kiv n SER 33 Ca 0.21 -0.42 0.01 0.00 -1.33 0.00 0.00 58.87 57.35 2kiv n SER 33 Cb 0.25 -4.65 0.00 0.00 -0.75 0.00 0.00 64.21 59.07 2kiv n SER 33 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2kiv s ASN 34 N -3.10 -0.03 -0.18 -3.46 3.04 -0.08 -4.86 114.94 106.27 2kiv s ASN 34 Ca 0.45 -0.24 -0.13 0.00 0.04 0.00 0.00 52.86 52.98 2kiv s ASN 34 Cb -0.20 0.22 0.05 0.00 -1.54 0.00 0.00 41.25 39.78 2kiv s ASN 34 CO 0.56 -0.42 0.45 0.68 -3.04 0.00 0.00 177.10 175.33 2kiv s VAL 35 N -2.29 -0.01 0.85 -5.21 -7.23 -1.26 -4.81 120.40 100.44 2kiv s VAL 35 Ca 0.21 0.04 -0.14 0.00 -1.81 0.00 0.00 61.98 60.28 2kiv s VAL 35 Cb 0.02 -0.65 0.00 0.00 0.56 0.00 0.00 36.38 36.31 2kiv s VAL 35 CO -0.01 0.02 0.47 0.23 -0.31 0.00 0.00 175.10 175.49 2kiv n MET 36 N 3.60 -0.02 -4.16 4.82 2.81 -1.26 -5.03 117.12 117.88 2kiv n MET 36 Ca -0.18 0.04 -0.16 0.00 -1.81 0.00 0.00 57.70 55.59 2kiv n MET 36 Cb 0.56 -1.85 -0.06 0.00 -0.71 0.00 0.00 33.22 31.16 2kiv n MET 36 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2kiv s GLU 37 N -3.26 1.74 0.27 0.03 2.12 -1.26 -4.86 118.70 113.47 2kiv s GLU 37 Ca 0.61 -1.80 -0.02 0.00 0.36 0.00 0.00 54.97 54.12 2kiv s GLU 37 Cb -0.27 0.38 0.43 0.00 0.26 0.00 0.00 34.13 34.93 2kiv s GLU 37 CO 0.63 -0.68 1.86 0.38 -0.54 0.00 0.00 175.26 176.91 2kiv h ASP 38 N 2.19 0.97 0.20 -1.70 3.04 -1.97 -1.20 116.42 117.95 2kiv h ASP 38 Ca -0.28 0.02 -0.00 0.00 -3.24 0.00 0.00 57.03 53.53 2kiv h ASP 38 Cb 1.24 -0.18 -0.02 0.00 -1.04 0.00 0.00 39.33 39.33 2kiv h ASP 38 CO 0.40 0.59 -0.35 -0.61 -2.04 0.00 0.00 179.24 177.23 2kiv h GLN 39 N 1.08 -0.56 -0.55 4.15 4.15 -1.98 0.85 115.11 122.25 2kiv h GLN 39 Ca 0.44 0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.96 2kiv h GLN 39 Cb 0.26 0.13 -0.06 0.00 0.21 0.00 0.00 27.48 28.02 2kiv h GLN 39 CO -0.20 -0.37 0.25 -0.44 -1.93 0.00 0.00 178.83 176.13 2kiv h ASP 40 N -0.58 0.31 -0.06 -0.69 3.32 -1.93 0.21 116.42 117.01 2kiv h ASP 40 Ca -0.02 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.11 2kiv h ASP 40 Cb 0.54 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.03 2kiv h ASP 40 CO -0.12 0.21 -0.35 -0.07 -1.72 0.00 0.00 179.24 177.19 2kiv h LEU 41 N 0.47 -1.06 -1.54 1.55 -0.00 -0.90 0.25 115.31 114.09 2kiv h LEU 41 Ca 0.26 0.14 -0.02 0.00 -0.00 0.00 0.00 57.88 58.26 2kiv h LEU 41 Cb 0.23 0.43 -0.00 0.00 -0.00 0.00 0.00 40.66 41.32 2kiv h LEU 41 CO -0.22 -0.39 -0.11 0.25 -0.00 0.00 0.00 178.44 177.97 2kiv h LEU 42 N -0.47 0.00 -0.42 1.67 7.12 -0.49 -2.45 115.31 120.28 2kiv h LEU 42 Ca 0.07 0.00 -0.13 0.00 0.13 0.00 0.00 57.88 57.95 2kiv h LEU 42 Cb 0.58 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.69 2kiv h LEU 42 CO -0.32 0.11 -0.61 -0.08 -0.13 0.00 0.00 178.44 177.42 2kiv h GLU 43 N 0.00 0.00 0.00 1.25 4.81 0.13 -3.38 114.58 117.39 2kiv h GLU 43 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kiv h GLU 43 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2kiv h GLU 43 CO 0.01 0.61 0.00 -0.89 -0.73 0.00 0.00 179.01 178.01 2kiv n ILE 44 N -3.45 0.00 0.00 2.32 5.41 0.70 -5.03 119.36 119.30 2kiv n ILE 44 Ca 0.00 0.45 0.00 0.00 1.00 0.00 0.00 62.75 64.20 2kiv n ILE 44 Cb 0.70 -1.35 0.00 0.00 -0.71 0.00 0.00 39.64 38.28 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 2.03 0.00 0.08 7.39 0.00 -1.05 -5.05 105.19 108.58 2kiv n GLY 45 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 1.13 0.26 -0.61 -0.00 -1.22 -4.01 119.36 114.90 2kiv n ILE 46 Ca 0.00 -0.72 0.13 0.00 -0.00 0.00 0.00 62.75 62.17 2kiv n ILE 46 Cb 0.00 -0.61 0.66 0.00 -0.00 0.00 0.00 39.64 39.69 2kiv n ILE 46 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 2kiv h LEU 47 N 0.00 0.00 -1.03 1.39 5.85 -1.92 -2.76 115.31 116.84 2kiv h LEU 47 Ca -0.25 0.00 0.21 0.00 0.84 0.00 0.00 57.88 58.68 2kiv h LEU 47 Cb 1.72 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.63 2kiv h LEU 47 CO 0.04 0.00 0.61 -1.13 -0.34 0.00 0.00 178.44 177.62 2kiv h ASN 48 N 0.00 0.73 0.00 1.25 -1.24 -1.98 -3.34 115.58 110.99 2kiv h ASN 48 Ca 0.00 0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.12 2kiv h ASN 48 Cb 0.13 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.16 2kiv h ASN 48 CO 0.00 0.21 -0.20 -0.24 -1.29 0.00 0.00 177.43 175.90 2kiv n SER 49 N -4.80 0.62 0.00 1.15 2.88 -1.06 -5.09 113.62 107.33 2kiv n SER 49 Ca 0.25 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2kiv n SER 49 Cb 0.65 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 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 2.50 -0.61 0.00 0.46 0.00 -1.12 -5.06 105.19 101.36 2kiv n GLY 50 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.36 1.61 -0.00 -1.24 -4.84 115.22 111.12 2kiv n HIS 51 Ca 0.00 -0.28 -0.18 0.00 -0.00 0.00 0.00 57.72 57.26 2kiv n HIS 51 Cb 0.00 -0.03 -0.09 0.00 -0.00 0.00 0.00 29.99 29.87 2kiv n HIS 51 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 2kiv h ARG 52 N 0.00 -1.02 -0.61 1.57 2.43 -1.97 -1.06 114.38 113.72 2kiv h ARG 52 Ca 0.00 0.07 0.12 0.00 -0.81 0.00 0.00 59.98 59.36 2kiv h ARG 52 Cb 0.60 0.23 -0.10 0.00 -0.42 0.00 0.00 29.97 30.29 2kiv h ARG 52 CO 0.00 -0.68 0.05 1.96 -1.51 0.00 0.00 179.97 179.79 2kiv h GLN 53 N -1.06 0.16 0.18 0.20 1.08 -1.98 0.25 115.11 113.94 2kiv h GLN 53 Ca -0.09 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2kiv h GLN 53 Cb 0.86 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.24 2kiv h GLN 53 CO 0.06 0.10 -0.23 0.00 -0.95 0.00 0.00 178.83 177.82 2kiv h ARG 54 N 0.16 -0.40 -0.91 1.46 2.47 -1.85 0.53 114.38 115.84 2kiv h ARG 54 Ca 0.32 0.03 0.15 0.00 -1.26 0.00 0.00 59.98 59.22 2kiv h ARG 54 Cb 0.51 0.09 -0.09 0.00 -1.65 0.00 0.00 29.97 28.83 2kiv h ARG 54 CO -0.49 -0.27 0.52 0.82 0.56 0.00 0.00 179.97 181.11 2kiv h ILE 55 N -0.42 0.77 0.18 2.04 2.04 -0.88 -0.79 117.51 120.45 2kiv h ILE 55 Ca -0.02 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.59 2kiv h ILE 55 Cb 0.37 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 2kiv h ILE 55 CO -0.05 0.13 -0.23 -0.07 0.00 0.00 0.00 178.15 177.93 2kiv h LEU 56 N 0.74 -0.64 -1.00 1.44 3.38 -0.14 0.25 115.31 119.33 2kiv h LEU 56 Ca 0.49 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.56 2kiv h LEU 56 Cb 0.67 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 2kiv h LEU 56 CO -0.34 -0.33 0.66 1.56 0.09 0.00 0.00 178.44 180.07 2kiv h GLN 57 N -0.47 1.27 0.57 1.13 4.20 -0.14 0.96 115.11 122.64 2kiv h GLN 57 Ca 0.01 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2kiv h GLN 57 Cb 0.46 -0.29 0.01 0.00 0.30 0.00 0.00 27.48 27.96 2kiv h GLN 57 CO -0.09 0.84 -0.27 0.00 -0.67 0.00 0.00 178.83 178.64 2kiv h ALA 58 N 1.39 -0.97 -0.39 3.87 0.00 -0.69 0.76 119.26 123.23 2kiv h ALA 58 Ca 0.38 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.24 2kiv h ALA 58 Cb -0.08 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2kiv h ALA 58 CO -0.10 -0.91 0.30 0.97 0.00 0.00 0.00 179.25 179.50 2kiv h ILE 59 N -0.94 0.72 0.00 0.00 6.09 -0.46 0.15 117.51 123.07 2kiv h ILE 59 Ca -0.08 0.00 -0.24 0.00 -1.37 0.00 0.00 64.86 63.17 2kiv h ILE 59 Cb 0.59 0.79 0.01 0.00 0.47 0.00 0.00 36.82 38.67 2kiv h ILE 59 CO 0.13 0.00 -0.98 -0.61 -3.07 0.00 0.00 178.15 173.62 2kiv h GLN 60 N 0.00 0.50 0.00 2.19 5.75 -0.70 -3.20 115.11 119.65 2kiv h GLN 60 Ca 0.18 -0.54 -0.04 0.00 -0.15 0.00 0.00 58.65 58.10 2kiv h GLN 60 Cb 0.78 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.47 2kiv h GLN 60 CO -0.00 1.18 -0.21 -0.07 -2.65 0.00 0.00 178.83 177.07 2kiv h LEU 61 N 0.28 0.00 -9.71 -2.39 -0.00 0.97 -3.46 115.31 100.99 2kiv h LEU 61 Ca -0.10 0.00 -0.54 0.00 -0.00 0.00 0.00 57.88 57.24 2kiv h LEU 61 Cb 1.62 0.00 0.21 0.00 -0.00 0.00 0.00 40.66 42.49 2kiv h LEU 61 CO 0.18 0.21 -0.59 0.18 -0.00 0.00 0.00 178.44 178.42 2kiv n LEU 62 N -3.18 -0.23 0.25 1.67 4.77 0.34 -4.87 117.00 115.75 2kiv n LEU 62 Ca 0.03 0.39 0.13 0.00 -0.03 0.00 0.00 56.01 56.53 2kiv n LEU 62 Cb 0.58 -1.19 0.60 0.00 -2.33 0.00 0.00 43.42 41.08 2kiv n LEU 62 CO 0.36 -3.62 0.91 1.55 -1.33 0.00 0.00 177.39 175.26 2kiv h PRO 63 N -1.23 0.00 -7.07 3.23 0.13 -1.89 -3.46 132.00 121.71 2kiv h PRO 63 Ca -0.44 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.08 2kiv h PRO 63 Cb 1.30 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.08 2kiv h PRO 63 CO 0.36 0.12 -0.89 0.36 -0.23 0.00 0.00 178.00 177.72 2kiv n LYS 64 N -3.30 -0.76 -3.94 0.86 2.85 -1.26 -4.87 118.16 107.74 2kiv n LYS 64 Ca -0.00 0.13 -0.09 0.00 -1.05 0.00 0.00 58.31 57.29 2kiv n LYS 64 Cb 0.35 -4.37 -0.06 0.00 -0.65 0.00 0.00 35.03 30.30 2kiv n LYS 64 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2kiv s MET 65 N -7.09 1.39 -0.18 -1.58 -1.94 -1.26 -4.80 119.30 103.84 2kiv s MET 65 Ca 0.67 -1.16 -0.35 0.00 -1.71 0.00 0.00 55.69 53.14 2kiv s MET 65 Cb -0.39 0.45 0.14 0.00 2.01 0.00 0.00 34.83 37.03 2kiv s MET 65 CO 0.99 -0.56 1.19 -0.98 -0.01 0.00 0.00 175.02 175.65 2kiv s ARG 66 N -3.98 0.33 0.17 2.03 1.04 -1.26 -5.01 118.95 112.27 2kiv s ARG 66 Ca 0.19 -0.12 0.20 0.00 -1.04 0.00 0.00 55.73 54.96 2kiv s ARG 66 Cb 0.01 0.15 0.86 0.00 -2.04 0.00 0.00 34.95 33.93 2kiv s ARG 66 CO 0.04 -0.15 1.63 -0.35 -0.04 0.00 0.00 175.30 176.43 2kiv n PRO 67 N -0.09 0.13 -0.33 3.89 -0.04 -1.26 -3.22 135.00 134.09 2kiv n PRO 67 Ca -0.00 0.37 0.14 0.00 -0.04 0.00 0.00 63.50 63.97 2kiv n PRO 67 Cb 0.58 -1.75 0.36 0.00 -0.04 0.00 0.00 33.50 32.65 2kiv n PRO 67 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2kiv h ILE 68 N 0.00 0.72 0.00 0.52 1.08 -2.06 -3.44 117.51 114.33 2kiv h ILE 68 Ca 0.00 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 2kiv h ILE 68 Cb 0.32 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.03 2kiv h ILE 68 CO 0.00 0.13 0.00 0.61 -0.69 0.00 0.00 178.15 178.20 2kiv n GLY 69 N -1.38 0.78 3.20 5.37 0.00 -1.20 -4.80 105.19 107.17 2kiv n GLY 69 Ca 0.22 0.65 -0.18 0.00 0.00 0.00 0.00 46.02 46.71 2kiv n GLY 69 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kiv n HIS 70 N 0.00 -2.25 -4.25 1.61 -0.00 -1.26 -5.02 115.22 104.05 2kiv n HIS 70 Ca 0.00 0.84 -0.24 0.00 -0.00 0.00 0.00 57.72 58.32 2kiv n HIS 70 Cb 0.00 -4.48 -0.07 0.00 -0.00 0.00 0.00 29.99 25.44 2kiv n HIS 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2kiv s ASP 71 N -3.55 4.69 0.00 0.26 1.01 -1.26 -4.98 116.67 112.84 2kiv s ASP 71 Ca 0.34 -0.53 0.00 0.00 0.71 0.00 0.00 52.55 53.07 2kiv s ASP 71 Cb -0.15 -0.94 0.00 0.00 1.01 0.00 0.00 42.92 42.84 2kiv s ASP 71 CO 0.62 0.03 0.00 0.61 0.21 0.00 0.00 175.17 176.64 2kiv n GLY 72 N -0.63 0.27 3.08 0.21 0.00 -1.26 -4.96 105.19 101.90 2kiv n GLY 72 Ca -0.08 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.00 2.26 -0.45 4.61 0.00 -1.26 -5.04 121.76 119.88 2kiv s ALA 73 Ca 0.00 -1.28 0.07 0.00 0.00 0.00 0.00 51.96 50.75 2kiv s ALA 73 Cb 0.00 -1.25 0.23 0.00 0.00 0.00 0.00 23.12 22.10 2kiv s ALA 73 CO 0.00 -0.58 0.53 1.58 0.00 0.00 0.00 175.76 177.29 2kiv n HIS 74 N 4.62 0.36 -2.10 0.00 -0.00 -1.26 -5.09 115.22 111.74 2kiv n HIS 74 Ca -0.18 -3.65 -0.43 0.00 -0.00 0.00 0.00 57.72 53.46 2kiv n HIS 74 Cb 0.48 -0.30 -0.03 0.00 -0.00 0.00 0.00 29.99 30.15 2kiv n HIS 74 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2kiv s PRO 75 N -1.21 3.60 0.30 1.57 0.04 -1.26 -4.96 135.00 133.08 2kiv s PRO 75 Ca 0.35 1.48 -0.06 0.00 0.04 0.00 0.00 61.00 62.81 2kiv s PRO 75 Cb 0.14 -4.09 -0.00 0.00 0.04 0.00 0.00 34.50 30.58 2kiv s PRO 75 CO -0.11 -1.53 0.45 0.95 0.04 0.00 0.00 177.00 176.80 2kiv s THR 76 N 5.83 0.00 0.67 1.26 -4.23 -1.26 -5.12 115.64 112.79 2kiv s THR 76 Ca 0.73 -1.56 -0.09 0.00 -1.18 0.00 0.00 61.69 59.60 2kiv s THR 76 Cb -0.23 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.14 2kiv s THR 76 CO 0.31 0.00 1.02 -0.44 -0.54 0.00 0.00 174.62 174.98 2kiv s SER 77 N -3.16 5.33 0.24 3.99 0.01 -1.26 -3.78 113.70 115.07 2kiv s SER 77 Ca 0.28 0.87 -0.05 0.00 1.31 0.00 0.00 55.95 58.35 2kiv s SER 77 Cb 0.00 -1.69 0.41 0.00 0.21 0.00 0.00 66.02 64.96 2kiv s SER 77 CO 0.16 -1.33 1.73 0.58 0.41 0.00 0.00 173.24 174.79 2kiv h VAL 78 N -0.51 0.67 0.82 3.43 2.07 -1.82 0.25 116.25 121.15 2kiv h VAL 78 Ca -0.45 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 2kiv h VAL 78 Cb 1.27 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2kiv h VAL 78 CO 0.62 0.08 -0.39 0.00 0.02 0.00 0.00 177.57 177.90 2kiv h ALA 79 N 1.52 -1.28 -0.12 1.67 0.00 -1.92 -0.60 119.26 118.52 2kiv h ALA 79 Ca 0.39 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2kiv h ALA 79 Cb 0.57 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2kiv h ALA 79 CO -0.39 -1.20 0.19 1.49 0.00 0.00 0.00 179.25 179.34 2kiv h GLU 80 N -1.11 0.00 0.25 0.00 4.57 -1.87 0.28 114.58 116.70 2kiv h GLU 80 Ca -0.11 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 2kiv h GLU 80 Cb 0.84 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 2kiv h GLU 80 CO 0.18 0.00 -0.12 2.35 -1.18 0.00 0.00 179.01 180.25 2kiv h TRP 81 N 0.00 -0.31 0.00 0.92 7.01 -0.08 -3.29 115.95 120.20 2kiv h TRP 81 Ca 0.06 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.03 2kiv h TRP 81 Cb 0.43 0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 27.59 2kiv h TRP 81 CO 0.00 -0.19 -0.12 -0.07 -2.79 0.00 0.00 178.44 175.27 2kiv h LEU 82 N -0.78 0.00 -1.83 0.65 3.38 -0.84 -2.46 115.31 113.44 2kiv h LEU 82 Ca -0.03 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.03 2kiv h LEU 82 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2kiv h LEU 82 CO 0.06 0.12 0.32 -0.78 0.09 0.00 0.00 178.44 178.24 2kiv h ASP 83 N 0.00 0.17 -0.41 -0.43 3.58 -0.17 0.25 116.42 119.42 2kiv h ASP 83 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kiv h ASP 83 Cb 0.36 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2kiv h ASP 83 CO 0.02 0.11 0.00 -0.24 -2.88 0.00 0.00 179.24 176.24 2kiv n SER 84 N -4.45 4.04 -0.87 2.28 2.88 -0.92 -3.89 113.62 112.69 2kiv n SER 84 Ca 0.07 -2.55 0.04 0.00 -1.33 0.00 0.00 58.87 55.11 2kiv n SER 84 Cb 0.40 -0.59 0.07 0.00 -0.75 0.00 0.00 64.21 63.34 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 0.51 0.67 -1.67 2.46 5.41 0.81 -4.96 119.36 122.59 2kiv n ILE 85 Ca 0.19 -1.33 -0.19 0.00 1.00 0.00 0.00 62.75 62.41 2kiv n ILE 85 Cb 0.83 0.46 -0.07 0.00 -0.71 0.00 0.00 39.64 40.16 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 -0.20 -1.47 -4.48 0.38 1.02 -1.20 -4.95 120.64 109.74 2kiv n GLU 86 Ca 0.08 1.12 -0.28 0.00 -0.02 0.00 0.00 57.16 58.06 2kiv n GLU 86 Cb 0.87 -5.52 -0.17 0.00 -0.02 0.00 0.00 31.44 26.61 2kiv n GLU 86 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kiv s LEU 87 N -4.76 1.71 0.00 -4.62 1.43 -0.74 -4.98 118.68 106.72 2kiv s LEU 87 Ca 0.00 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 2kiv s LEU 87 Cb 0.00 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.16 2kiv s LEU 87 CO 0.00 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.21 2kiv n GLY 88 N 4.15 0.00 0.34 -3.19 0.00 -1.26 -2.56 105.19 102.67 2kiv n GLY 88 Ca -0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 0.74 -0.64 1.61 1.82 -1.98 0.14 116.42 118.11 2kiv h ASP 89 Ca 0.00 0.08 0.17 0.00 -0.39 0.00 0.00 57.03 56.89 2kiv h ASP 89 Cb 0.33 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.26 2kiv h ASP 89 CO 0.00 0.33 0.45 1.88 -1.61 0.00 0.00 179.24 180.29 2kiv h TYR 90 N 0.79 0.10 -1.00 0.28 0.05 -2.00 -0.47 116.97 114.71 2kiv h TYR 90 Ca 0.51 0.00 0.26 0.00 0.05 0.00 0.00 58.73 59.55 2kiv h TYR 90 Cb 0.68 -0.03 -0.07 0.00 1.01 0.00 0.00 36.73 38.31 2kiv h TYR 90 CO -0.03 0.04 0.67 1.15 -1.05 0.00 0.00 178.16 178.93 2kiv h THR 91 N 0.09 0.56 0.62 -2.88 2.02 -1.05 0.14 112.91 112.41 2kiv h THR 91 Ca 0.31 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.35 2kiv h THR 91 Cb 1.09 0.22 0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2kiv h THR 91 CO -0.03 0.06 -0.30 0.50 0.37 0.00 0.00 175.52 176.12 2kiv h LYS 92 N 0.31 -0.81 -0.36 6.66 3.11 -1.22 -0.48 116.57 123.79 2kiv h LYS 92 Ca 0.54 0.06 0.01 0.00 -2.81 0.00 0.00 60.65 58.44 2kiv h LYS 92 Cb 1.52 0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 32.91 2kiv h LYS 92 CO -0.19 -0.49 0.23 0.00 -2.81 0.00 0.00 179.45 176.18 2kiv h ALA 93 N -0.85 0.45 -0.48 5.00 0.00 -1.43 -1.09 119.26 120.87 2kiv h ALA 93 Ca -0.09 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.85 2kiv h ALA 93 Cb 0.69 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 2kiv h ALA 93 CO 0.14 -0.10 0.22 0.74 0.00 0.00 0.00 179.25 180.25 2kiv h PHE 94 N 0.47 0.40 0.73 0.00 -1.00 -0.80 0.13 116.94 116.87 2kiv h PHE 94 Ca 0.13 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.90 2kiv h PHE 94 Cb -0.04 -0.11 0.01 0.00 3.61 0.00 0.00 35.95 39.42 2kiv h PHE 94 CO -0.06 0.18 -0.35 -0.07 -1.61 0.00 0.00 178.31 176.41 2kiv h LEU 95 N 0.43 -0.83 -1.99 1.54 3.38 -0.78 0.48 115.31 117.55 2kiv h LEU 95 Ca 0.22 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.40 2kiv h LEU 95 Cb 0.16 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2kiv h LEU 95 CO -0.17 -0.55 0.50 0.16 0.09 0.00 0.00 178.44 178.47 2kiv h ILE 96 N -1.06 0.59 -0.16 1.22 3.07 -1.13 0.26 117.51 120.29 2kiv h ILE 96 Ca -0.10 0.00 -0.12 0.00 1.55 0.00 0.00 64.86 66.19 2kiv h ILE 96 Cb 0.75 0.64 -0.01 0.00 -0.27 0.00 0.00 36.82 37.93 2kiv h ILE 96 CO 0.16 0.00 -0.42 0.78 -1.05 0.00 0.00 178.15 177.63 2kiv h ASN 97 N 0.00 0.40 0.00 2.16 2.35 -0.47 -3.47 115.58 116.55 2kiv h ASN 97 Ca 0.31 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2kiv h ASN 97 Cb 1.31 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.56 2kiv h ASN 97 CO -0.00 0.77 0.00 0.61 -1.65 0.00 0.00 177.43 177.16 2kiv n GLY 98 N -0.09 1.45 3.48 2.83 0.00 0.91 -5.08 105.19 108.69 2kiv n GLY 98 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2kiv n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kiv s TYR 99 N -1.80 2.62 -0.11 1.61 2.02 0.10 -4.76 117.35 117.04 2kiv s TYR 99 Ca 0.00 -0.54 0.01 0.00 -0.37 0.00 0.00 57.07 56.17 2kiv s TYR 99 Cb 0.00 -4.38 -0.07 0.00 -0.40 0.00 0.00 41.96 37.10 2kiv s TYR 99 CO 0.00 -1.74 -0.09 0.25 -1.57 0.00 0.00 175.55 172.40 2kiv n THR 100 N 6.03 0.63 -3.76 -0.71 -2.24 -1.26 -4.35 114.28 108.62 2kiv n THR 100 Ca 0.02 -0.25 -0.37 0.00 -2.27 0.00 0.00 64.05 61.19 2kiv n THR 100 Cb 0.47 -0.89 -0.11 0.00 -2.10 0.00 0.00 70.33 67.70 2kiv n THR 100 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kiv s SER 101 N -5.02 5.55 0.34 3.42 0.01 -1.26 -4.33 113.70 112.40 2kiv s SER 101 Ca -0.14 -0.07 0.09 0.00 1.31 0.00 0.00 55.95 57.13 2kiv s SER 101 Cb 0.04 -2.00 0.82 0.00 0.21 0.00 0.00 66.02 65.08 2kiv s SER 101 CO 0.26 0.01 1.81 -0.03 0.41 0.00 0.00 173.24 175.70 2kiv h MET 102 N 7.91 0.67 -1.00 12.44 4.05 -1.92 0.67 114.93 137.76 2kiv h MET 102 Ca -0.37 -0.04 0.24 0.00 -0.28 0.00 0.00 59.70 59.25 2kiv h MET 102 Cb 1.18 -0.15 -0.09 0.00 -0.80 0.00 0.00 31.60 31.74 2kiv h MET 102 CO 0.60 0.44 0.64 -0.44 0.23 0.00 0.00 176.91 178.39 2kiv h ASP 103 N 0.69 0.50 -0.86 1.39 3.32 -1.93 0.23 116.42 119.75 2kiv h ASP 103 Ca 0.53 0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.72 2kiv h ASP 103 Cb 0.92 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.40 2kiv h ASP 103 CO -0.30 0.14 0.56 -0.07 -1.72 0.00 0.00 179.24 177.85 2kiv h LEU 104 N 0.46 0.86 -2.47 1.55 3.38 -1.28 0.08 115.31 117.90 2kiv h LEU 104 Ca 0.56 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.55 2kiv h LEU 104 Cb 1.32 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2kiv h LEU 104 CO -0.28 0.56 0.13 -0.07 0.09 0.00 0.00 178.44 178.87 2kiv h LEU 105 N 0.98 0.00 -1.03 1.67 3.38 -0.64 0.43 115.31 120.10 2kiv h LEU 105 Ca 0.37 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.24 2kiv h LEU 105 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2kiv h LEU 105 CO -0.13 0.00 -0.43 0.50 0.09 0.00 0.00 178.44 178.47 2kiv h LYS 106 N 0.00 0.10 -0.70 1.13 3.64 -1.02 -2.50 116.57 117.22 2kiv h LYS 106 Ca 0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2kiv h LYS 106 Cb 0.30 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2kiv h LYS 106 CO -0.00 0.52 0.00 1.63 -2.27 0.00 0.00 179.45 179.33 2kiv n LYS 107 N -4.01 3.61 -3.86 1.90 4.01 0.14 -4.88 118.16 115.06 2kiv n LYS 107 Ca -0.02 -2.17 -0.35 0.00 -0.51 0.00 0.00 58.31 55.27 2kiv n LYS 107 Cb 0.47 -1.99 -0.09 0.00 -0.51 0.00 0.00 35.03 32.92 2kiv n LYS 107 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2kiv s ILE 108 N -2.16 5.14 0.56 -0.18 -1.09 -0.95 -5.10 121.20 117.42 2kiv s ILE 108 Ca 0.38 0.09 0.07 0.00 -2.23 0.00 0.00 60.65 58.96 2kiv s ILE 108 Cb 0.28 -3.33 0.07 0.00 -1.58 0.00 0.00 42.46 37.91 2kiv s ILE 108 CO 0.12 0.46 0.59 0.00 -1.23 0.00 0.00 174.94 174.88 2kiv n ALA 109 N 3.42 1.02 0.45 9.38 0.00 -1.26 -4.95 120.51 128.57 2kiv n ALA 109 Ca -0.16 -2.13 -0.18 0.00 0.00 0.00 0.00 53.44 50.97 2kiv n ALA 109 Cb 0.52 0.74 -0.08 0.00 0.00 0.00 0.00 19.45 20.63 2kiv n ALA 109 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kiv h GLU 110 N 0.00 -1.11 -0.85 0.00 5.08 -1.99 0.17 114.58 115.88 2kiv h GLU 110 Ca -0.31 0.08 0.17 0.00 -1.00 0.00 0.00 59.36 58.30 2kiv h GLU 110 Cb 1.24 0.25 -0.10 0.00 0.50 0.00 0.00 28.75 30.64 2kiv h GLU 110 CO 0.46 -0.74 0.40 -0.24 -1.00 0.00 0.00 179.01 177.89 2kiv h VAL 111 N -1.22 0.64 -0.63 3.13 3.04 -1.98 0.92 116.25 120.14 2kiv h VAL 111 Ca -0.12 -0.18 -0.07 0.00 -1.01 0.00 0.00 66.70 65.32 2kiv h VAL 111 Cb 0.89 0.07 -0.03 0.00 -2.01 0.00 0.00 31.29 30.21 2kiv h VAL 111 CO 0.19 0.10 0.13 -0.33 -1.01 0.00 0.00 177.57 176.65 2kiv h GLU 112 N 0.52 1.02 -0.41 4.17 4.39 -1.93 0.28 114.58 122.61 2kiv h GLU 112 Ca 0.48 -0.25 -0.05 0.00 0.34 0.00 0.00 59.36 59.88 2kiv h GLU 112 Cb 0.77 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 2kiv h GLU 112 CO -0.42 0.92 0.05 1.25 -1.16 0.00 0.00 179.01 179.65 2kiv h LEU 113 N 0.96 0.68 -0.37 1.33 6.46 0.12 0.32 115.31 124.81 2kiv h LEU 113 Ca 0.20 -0.28 -0.04 0.00 -0.12 0.00 0.00 57.88 57.65 2kiv h LEU 113 Cb 0.38 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 2kiv h LEU 113 CO 0.01 0.78 -0.17 0.40 -0.62 0.00 0.00 178.44 178.84 2kiv h ILE 114 N 0.55 0.32 0.00 4.05 2.04 -0.89 0.46 117.51 124.04 2kiv h ILE 114 Ca 0.12 -1.29 -0.07 0.00 1.00 0.00 0.00 64.86 64.62 2kiv h ILE 114 Cb 0.41 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 2kiv h ILE 114 CO 0.01 0.17 -0.99 0.78 0.00 0.00 0.00 178.15 178.12 2kiv h ASN 115 N 0.00 0.00 0.00 1.72 4.21 -0.16 -3.09 115.58 118.26 2kiv h ASN 115 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2kiv h ASN 115 Cb 1.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.20 2kiv h ASN 115 CO 0.02 0.27 -0.70 0.52 -1.29 0.00 0.00 177.43 176.25 2kiv n VAL 116 N -2.86 1.33 0.10 2.81 0.31 0.11 -4.78 118.33 115.34 2kiv n VAL 116 Ca -0.03 0.22 -0.23 0.00 -0.01 0.00 0.00 64.34 64.29 2kiv n VAL 116 Cb 0.67 -2.11 -0.15 0.00 -0.91 0.00 0.00 33.84 31.34 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 -0.70 0.66 -0.08 7.52 -0.00 -0.45 -3.48 115.31 118.78 2kiv h LEU 117 Ca 0.00 -0.93 -0.32 0.00 -0.00 0.00 0.00 57.88 56.63 2kiv h LEU 117 Cb 0.70 -0.22 0.08 0.00 -0.00 0.00 0.00 40.66 41.22 2kiv h LEU 117 CO 0.00 1.60 -0.51 1.17 -0.00 0.00 0.00 178.44 180.70 2kiv n LYS 118 N -3.87 -5.05 -0.12 1.13 4.81 0.95 -4.91 118.16 111.09 2kiv n LYS 118 Ca -0.17 0.69 -0.04 0.00 -0.87 0.00 0.00 58.31 57.91 2kiv n LYS 118 Cb 0.99 -5.18 0.02 0.00 0.02 0.00 0.00 35.03 30.88 2kiv n LYS 118 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2kiv h ILE 119 N -1.60 0.61 -6.17 3.15 5.03 -1.84 -3.46 117.51 113.23 2kiv h ILE 119 Ca -0.43 -0.01 -0.45 0.00 -0.12 0.00 0.00 64.86 63.85 2kiv h ILE 119 Cb 1.29 0.59 0.02 0.00 -3.03 0.00 0.00 36.82 35.68 2kiv h ILE 119 CO 0.45 0.00 -0.74 -3.20 -0.68 0.00 0.00 178.15 173.98 2kiv n ASN 120 N -5.29 -4.94 -3.69 1.72 5.15 -1.26 -4.97 115.26 101.98 2kiv n ASN 120 Ca 0.03 -0.72 -0.13 0.00 -0.60 0.00 0.00 54.58 53.16 2kiv n ASN 120 Cb 0.22 -4.20 -0.13 0.00 -0.53 0.00 0.00 39.78 35.15 2kiv n ASN 120 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2kiv s LEU 121 N -7.24 -0.05 0.16 1.20 2.96 -1.26 -5.04 118.68 109.41 2kiv s LEU 121 Ca 0.60 0.61 -0.13 0.00 -0.22 0.00 0.00 54.13 54.99 2kiv s LEU 121 Cb -0.29 0.78 0.04 0.00 0.50 0.00 0.00 46.19 47.23 2kiv s LEU 121 CO 0.80 -0.21 1.67 0.40 -1.32 0.00 0.00 176.35 177.69 2kiv h ILE 122 N 6.09 1.24 0.48 6.68 2.04 -1.90 0.19 117.51 132.32 2kiv h ILE 122 Ca -0.25 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 2kiv h ILE 122 Cb 1.13 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2kiv h ILE 122 CO 0.23 0.31 -0.31 1.23 0.00 0.00 0.00 178.15 179.62 2kiv h GLY 123 N 0.75 -0.80 0.78 5.37 0.00 -0.74 0.97 103.07 109.39 2kiv h GLY 123 Ca 0.17 0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.81 2kiv h GLY 123 CO 0.00 -0.29 -0.31 0.45 0.00 0.00 0.00 176.54 176.39 2kiv h HIS 124 N -0.75 -0.80 -1.05 5.60 3.86 -1.78 -0.98 115.15 119.26 2kiv h HIS 124 Ca -0.05 -0.02 0.27 0.00 -1.16 0.00 0.00 60.37 59.41 2kiv h HIS 124 Cb 0.62 0.26 -0.08 0.00 1.06 0.00 0.00 27.41 29.27 2kiv h HIS 124 CO -0.10 -0.46 0.69 0.07 0.86 0.00 0.00 177.93 178.99 2kiv h ARG 125 N -1.10 0.30 -0.10 2.45 -0.00 -1.00 0.97 114.38 115.90 2kiv h ARG 125 Ca -0.09 -0.02 -0.10 0.00 -0.00 0.00 0.00 59.98 59.77 2kiv h ARG 125 Cb 0.70 -0.07 0.00 0.00 -0.00 0.00 0.00 29.97 30.61 2kiv h ARG 125 CO 0.14 0.20 -0.33 -0.22 -0.00 0.00 0.00 179.97 179.76 2kiv h LYS 126 N 0.31 0.41 -0.23 0.08 3.64 -0.64 -0.12 116.57 120.02 2kiv h LYS 126 Ca 0.57 -0.30 0.04 0.00 -1.27 0.00 0.00 60.65 59.69 2kiv h LYS 126 Cb 1.62 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.45 2kiv h LYS 126 CO -0.23 0.92 -0.02 0.00 -2.27 0.00 0.00 179.45 177.86 2kiv h ARG 127 N -0.03 0.04 -0.24 1.90 3.08 0.55 0.21 114.38 119.89 2kiv h ARG 127 Ca -0.01 -0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.86 2kiv h ARG 127 Cb 0.96 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 2kiv h ARG 127 CO 0.07 0.03 -0.55 -0.84 -1.07 0.00 0.00 179.97 177.61 2kiv h ILE 128 N 0.05 1.30 -0.01 2.04 3.07 -1.33 -0.14 117.51 122.47 2kiv h ILE 128 Ca 0.11 -1.76 -0.00 0.00 1.55 0.00 0.00 64.86 64.76 2kiv h ILE 128 Cb 0.15 1.69 -0.00 0.00 -0.27 0.00 0.00 36.82 38.39 2kiv h ILE 128 CO -0.21 0.56 0.01 0.25 -1.05 0.00 0.00 178.15 177.71 2kiv h LEU 129 N 0.56 0.02 -0.45 0.16 5.85 -0.57 0.77 115.31 121.64 2kiv h LEU 129 Ca 0.01 -0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.51 2kiv h LEU 129 Cb 1.13 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 2kiv h LEU 129 CO 0.11 0.07 -0.55 0.00 -0.34 0.00 0.00 178.44 177.73 2kiv h ALA 130 N 0.95 0.63 -0.32 1.25 0.00 -0.62 -0.70 119.26 120.44 2kiv h ALA 130 Ca 0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2kiv h ALA 130 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2kiv h ALA 130 CO -0.00 0.69 0.15 1.03 0.00 0.00 0.00 179.25 181.11 2kiv h SER 131 N 0.51 0.42 0.24 0.00 0.87 -0.85 -3.26 113.55 111.48 2kiv h SER 131 Ca 0.01 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 2kiv h SER 131 Cb 1.11 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2kiv h SER 131 CO 0.11 0.44 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.67 2kiv h LEU 132 N 0.38 -0.27 0.00 2.23 3.38 -0.85 -3.50 115.31 116.66 2kiv h LEU 132 Ca 0.11 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2kiv h LEU 132 Cb 0.14 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2kiv h LEU 132 CO -0.01 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.35 2kiv n GLY 133 N 0.43 4.54 3.29 0.83 0.00 -0.27 -5.07 105.19 108.93 2kiv n GLY 133 Ca -0.08 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 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 0.34 0.00 1.61 -4.77 -1.26 -4.84 116.67 107.75 2kiv s ASP 134 Ca 0.00 -1.36 0.19 0.00 -3.30 0.00 0.00 52.55 48.08 2kiv s ASP 134 Cb 0.00 0.45 1.16 0.00 -1.09 0.00 0.00 42.92 43.44 2kiv s ASP 134 CO 0.00 -0.94 1.55 0.54 0.70 0.00 0.00 175.17 177.02