#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 0.92 0.01 7.34 -2.07 -1.26 -5.16 119.66 119.45 2kiv s GLN 2 Ca 0.00 -0.14 0.03 0.00 -1.82 0.00 0.00 55.36 53.43 2kiv s GLN 2 Cb 0.00 0.42 -0.01 0.00 -1.09 0.00 0.00 33.01 32.33 2kiv s GLN 2 CO 0.00 -0.30 -0.08 0.99 -1.32 0.00 0.00 175.29 174.57 2kiv s THR 3 N -1.88 0.64 0.39 3.63 2.01 -1.26 -4.55 115.64 114.62 2kiv s THR 3 Ca -0.09 -0.60 0.16 0.00 0.31 0.00 0.00 61.69 61.47 2kiv s THR 3 Cb -0.02 -0.59 0.37 0.00 0.01 0.00 0.00 72.50 72.28 2kiv s THR 3 CO 0.02 0.00 1.81 0.58 -0.69 0.00 0.00 174.62 176.34 2kiv h VAL 4 N 4.78 0.61 0.59 3.82 2.07 -1.91 -0.10 116.25 126.11 2kiv h VAL 4 Ca -0.32 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 2kiv h VAL 4 Cb 1.19 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2kiv h VAL 4 CO 0.47 0.08 -0.34 1.23 0.02 0.00 0.00 177.57 179.03 2kiv h GLY 5 N 0.46 -0.93 0.77 2.17 0.00 -1.95 0.24 103.07 103.82 2kiv h GLY 5 Ca 0.54 0.38 -0.00 0.00 0.00 0.00 0.00 47.33 48.25 2kiv h GLY 5 CO -0.26 -0.34 0.00 1.46 0.00 0.00 0.00 176.54 177.41 2kiv h GLN 6 N -0.87 0.02 -0.06 4.80 4.20 -1.77 0.14 115.11 121.56 2kiv h GLN 6 Ca -0.07 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.67 2kiv h GLN 6 Cb 0.70 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.43 2kiv h GLN 6 CO 0.09 0.24 -0.21 2.35 -0.67 0.00 0.00 178.83 180.62 2kiv h TRP 7 N -0.21 -0.56 -0.08 2.96 7.01 -1.04 0.25 115.95 124.27 2kiv h TRP 7 Ca 0.00 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 60.96 2kiv h TRP 7 Cb 0.23 0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 2kiv h TRP 7 CO 0.00 -0.30 -0.24 1.25 -2.79 0.00 0.00 178.44 176.36 2kiv h LEU 8 N -0.31 0.14 -0.88 0.65 5.85 -0.51 -1.15 115.31 119.10 2kiv h LEU 8 Ca 0.08 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 2kiv h LEU 8 Cb 0.42 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2kiv h LEU 8 CO -0.24 0.39 -0.42 -0.08 -0.34 0.00 0.00 178.44 177.76 2kiv h GLU 9 N 0.13 0.00 0.00 1.25 4.57 0.31 0.27 114.58 121.12 2kiv h GLU 9 Ca 0.02 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.14 2kiv h GLU 9 Cb 0.51 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 2kiv h GLU 9 CO 0.04 0.42 -0.33 0.77 -1.18 0.00 0.00 179.01 178.73 2kiv h SER 10 N 0.00 0.00 0.65 1.04 0.02 0.07 -3.36 113.55 111.97 2kiv h SER 10 Ca -0.00 -0.83 -0.14 0.00 -0.84 0.00 0.00 61.79 59.98 2kiv h SER 10 Cb 0.94 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 2kiv h SER 10 CO 0.05 1.11 -0.65 0.16 -1.14 0.00 0.00 176.83 176.36 2kiv h ILE 11 N -1.00 1.47 0.00 3.27 3.07 -1.29 -3.47 117.51 119.55 2kiv h ILE 11 Ca -0.09 -2.23 0.00 0.00 1.55 0.00 0.00 64.86 64.09 2kiv h ILE 11 Cb 1.04 2.20 0.00 0.00 -0.27 0.00 0.00 36.82 39.79 2kiv h ILE 11 CO -0.05 0.64 0.00 0.61 -1.05 0.00 0.00 178.15 178.29 2kiv n GLY 12 N 0.35 3.34 3.09 0.16 0.00 0.89 -4.90 105.19 108.11 2kiv n GLY 12 Ca -0.01 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 2.47 0.00 0.99 1.43 -0.74 -4.48 118.68 118.35 2kiv s LEU 13 Ca 0.00 -0.95 0.14 0.00 -1.03 0.00 0.00 54.13 52.29 2kiv s LEU 13 Cb 0.00 0.15 0.63 0.00 0.03 0.00 0.00 46.19 47.00 2kiv s LEU 13 CO 0.00 -0.55 1.44 -0.81 0.23 0.00 0.00 176.35 176.66 2kiv n PRO 14 N 0.23 0.04 0.04 1.29 -0.04 -1.26 -3.15 135.00 132.15 2kiv n PRO 14 Ca -0.15 0.23 0.21 0.00 -0.04 0.00 0.00 63.50 63.76 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 1.08 -1.95 0.24 115.11 115.02 2kiv h GLN 15 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2kiv h GLN 15 Cb 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2kiv h GLN 15 CO 0.00 0.00 -1.44 0.66 -0.95 0.00 0.00 178.83 177.10 2kiv n TYR 16 N -4.05 0.13 -0.15 2.96 4.02 -1.19 -4.39 117.16 114.49 2kiv n TYR 16 Ca 0.09 0.04 -0.03 0.00 -0.01 0.00 0.00 57.90 57.99 2kiv n TYR 16 Cb 0.62 -0.38 0.04 0.00 -0.02 0.00 0.00 39.34 39.60 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 0.07 -0.51 -0.72 4.22 -0.67 0.03 114.58 117.00 2kiv h GLU 17 Ca 0.00 -0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.52 2kiv h GLU 17 Cb 0.80 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.97 2kiv h GLU 17 CO 0.00 0.05 0.10 -0.97 -2.18 0.00 0.00 179.01 176.01 2kiv h ASN 18 N 0.07 0.00 0.34 1.04 -1.24 -1.76 -0.32 115.58 113.71 2kiv h ASN 18 Ca 0.23 0.09 -0.02 0.00 0.71 0.00 0.00 56.30 57.32 2kiv h ASN 18 Cb 0.35 0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.53 2kiv h ASN 18 CO -0.42 0.03 -0.16 0.45 -1.29 0.00 0.00 177.43 176.03 2kiv h HIS 19 N 0.24 -0.43 0.06 0.67 3.86 -1.52 -0.48 115.15 117.55 2kiv h HIS 19 Ca 0.26 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.47 2kiv h HIS 19 Cb 0.35 0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.93 2kiv h HIS 19 CO -0.23 -0.20 -0.35 -0.07 0.86 0.00 0.00 177.93 177.94 2kiv h LEU 20 N -0.56 -1.06 -0.38 2.43 4.07 -0.61 0.31 115.31 119.50 2kiv h LEU 20 Ca -0.05 0.11 0.08 0.00 0.08 0.00 0.00 57.88 58.11 2kiv h LEU 20 Cb 0.42 0.40 -0.08 0.00 1.08 0.00 0.00 40.66 42.47 2kiv h LEU 20 CO 0.08 -0.36 -0.18 -0.03 -1.08 0.00 0.00 178.44 176.86 2kiv h MET 21 N -0.49 -0.11 -0.09 1.13 4.05 0.28 0.45 114.93 120.16 2kiv h MET 21 Ca -0.00 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 2kiv h MET 21 Cb 0.50 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.32 2kiv h MET 21 CO -0.20 -0.08 0.10 0.00 0.23 0.00 0.00 176.91 176.96 2kiv h ALA 22 N 1.15 1.68 -0.41 0.39 0.00 -0.69 0.12 119.26 121.50 2kiv h ALA 22 Ca 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2kiv h ALA 22 Cb 0.41 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2kiv h ALA 22 CO -0.45 -0.14 0.02 0.09 0.00 0.00 0.00 179.25 178.76 2kiv n ASN 23 N -3.86 4.30 0.00 0.00 4.13 0.11 -4.86 115.26 115.07 2kiv n ASN 23 Ca -0.01 -2.67 0.00 0.00 1.68 0.00 0.00 54.58 53.58 2kiv n ASN 23 Cb 0.20 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 37.80 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 0.40 3.24 2.77 7.41 0.00 0.42 -0.12 105.19 119.31 2kiv n GLY 24 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.92 3.19 -0.02 1.61 3.72 0.12 -4.37 117.46 119.80 2kiv n PHE 25 Ca 0.00 -2.79 0.05 0.00 -0.05 0.00 0.00 57.45 54.66 2kiv n PHE 25 Cb 0.00 -2.41 -0.13 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 6.17 1.20 -4.37 4.37 5.68 -1.26 -1.30 116.55 127.05 2kiv n ASP 26 Ca 0.53 0.00 -0.33 0.00 -0.50 0.00 0.00 54.79 54.49 2kiv n ASP 26 Cb 0.38 1.56 -0.14 0.00 -1.14 0.00 0.00 41.12 41.77 2kiv n ASP 26 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 2kiv s ASN 27 N -4.14 3.96 0.47 -1.12 2.47 -1.26 -4.31 114.94 111.01 2kiv s ASN 27 Ca -0.06 -0.34 0.16 0.00 0.42 0.00 0.00 52.86 53.04 2kiv s ASN 27 Cb 0.09 -1.59 1.15 0.00 -1.45 0.00 0.00 41.25 39.46 2kiv s ASN 27 CO 0.68 0.17 2.04 0.58 -3.72 0.00 0.00 177.10 176.84 2kiv h VAL 28 N 5.40 0.91 -0.31 -5.21 2.07 -1.91 -0.47 116.25 116.74 2kiv h VAL 28 Ca -0.26 -0.08 0.09 0.00 0.82 0.00 0.00 66.70 67.27 2kiv h VAL 28 Cb 1.21 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2kiv h VAL 28 CO 0.55 0.04 0.33 -0.61 0.02 0.00 0.00 177.57 177.90 2kiv h GLN 29 N 0.23 0.00 -0.44 1.57 4.15 -1.94 -0.08 115.11 118.60 2kiv h GLN 29 Ca 0.19 0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.73 2kiv h GLN 29 Cb 0.44 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 2kiv h GLN 29 CO -0.03 0.00 0.41 0.00 -1.93 0.00 0.00 178.83 177.27 2kiv h ALA 30 N 1.63 2.22 -0.01 3.38 0.00 -1.48 0.60 119.26 125.60 2kiv h ALA 30 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2kiv h ALA 30 Cb 0.80 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2kiv h ALA 30 CO -0.00 -0.63 -0.47 0.00 0.00 0.00 0.00 179.25 178.15 2kiv n MET 31 N -3.93 1.59 -0.05 0.00 0.00 -0.05 -4.61 117.12 110.08 2kiv n MET 31 Ca 0.08 -3.28 -0.12 0.00 0.00 0.00 0.00 57.70 54.38 2kiv n MET 31 Cb 0.60 -1.62 -0.10 0.00 0.00 0.00 0.00 33.22 32.09 2kiv n MET 31 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 2kiv h GLY 32 N 0.97 -0.03 0.24 3.17 0.00 -0.88 -3.38 103.07 103.17 2kiv h GLY 32 Ca 0.01 0.01 -0.25 0.00 0.00 0.00 0.00 47.33 47.09 2kiv h GLY 32 CO 0.01 -0.01 -1.35 1.48 0.00 0.00 0.00 176.54 176.67 2kiv h SER 33 N -0.93 0.17 -3.46 0.19 4.64 -1.86 -3.44 113.55 108.85 2kiv h SER 33 Ca -0.00 -0.70 -0.71 0.00 -0.47 0.00 0.00 61.79 59.90 2kiv h SER 33 Cb 0.75 -0.05 -0.30 0.00 -0.31 0.00 0.00 62.40 62.49 2kiv h SER 33 CO 0.00 1.56 -0.49 0.21 -0.87 0.00 0.00 176.83 177.24 2kiv s ASN 34 N -6.89 5.50 0.21 4.97 3.84 -1.26 -5.07 114.94 116.23 2kiv s ASN 34 Ca -0.25 -1.66 -0.31 0.00 0.21 0.00 0.00 52.86 50.85 2kiv s ASN 34 Cb 0.05 -1.93 -0.10 0.00 -0.55 0.00 0.00 41.25 38.71 2kiv s ASN 34 CO 0.67 -0.54 1.57 0.68 -2.79 0.00 0.00 177.10 176.69 2kiv s VAL 35 N 1.34 2.47 -0.13 -5.21 -7.23 -1.26 -4.43 120.40 105.95 2kiv s VAL 35 Ca 0.04 0.36 -0.37 0.00 -1.81 0.00 0.00 61.98 60.20 2kiv s VAL 35 Cb -0.23 -3.23 -0.14 0.00 0.56 0.00 0.00 36.38 33.34 2kiv s VAL 35 CO -0.00 0.04 1.77 0.80 -0.31 0.00 0.00 175.10 177.39 2kiv n MET 36 N 3.38 1.71 -2.39 4.82 1.56 -1.26 -4.96 117.12 119.97 2kiv n MET 36 Ca 0.12 0.62 -0.25 0.00 -0.27 0.00 0.00 57.70 57.92 2kiv n MET 36 Cb 0.38 -2.39 0.10 0.00 2.15 0.00 0.00 33.22 33.47 2kiv n MET 36 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 2kiv s GLU 37 N 3.35 1.73 0.36 2.12 2.12 -1.26 -4.83 118.70 122.30 2kiv s GLU 37 Ca 0.93 -0.75 0.05 0.00 0.36 0.00 0.00 54.97 55.55 2kiv s GLU 37 Cb -0.86 -2.23 0.71 0.00 0.26 0.00 0.00 34.13 32.01 2kiv s GLU 37 CO 0.56 -1.47 1.98 0.38 -0.54 0.00 0.00 175.26 176.17 2kiv h ASP 38 N -0.66 0.68 0.39 -1.70 2.03 -1.98 -1.01 116.42 114.18 2kiv h ASP 38 Ca -0.40 -0.01 -0.00 0.00 -0.73 0.00 0.00 57.03 55.89 2kiv h ASP 38 Cb 1.28 -0.15 -0.03 0.00 -0.83 0.00 0.00 39.33 39.59 2kiv h ASP 38 CO 0.46 0.46 -0.48 1.56 -1.03 0.00 0.00 179.24 180.21 2kiv h GLN 39 N 0.79 -0.87 0.10 4.15 4.20 -1.98 0.18 115.11 121.67 2kiv h GLN 39 Ca 0.27 0.06 -0.00 0.00 0.06 0.00 0.00 58.65 59.04 2kiv h GLN 39 Cb 0.11 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2kiv h GLN 39 CO -0.08 -0.58 -0.05 -0.44 -0.67 0.00 0.00 178.83 177.01 2kiv h ASP 40 N -0.90 -0.11 -0.99 1.46 3.32 -1.89 0.27 116.42 117.57 2kiv h ASP 40 Ca -0.04 -0.14 0.22 0.00 0.02 0.00 0.00 57.03 57.09 2kiv h ASP 40 Cb 0.82 0.03 -0.12 0.00 0.22 0.00 0.00 39.33 40.28 2kiv h ASP 40 CO -0.12 0.08 0.59 0.25 -1.72 0.00 0.00 179.24 178.31 2kiv h LEU 41 N -0.29 0.70 0.00 1.55 5.85 -1.08 0.36 115.31 122.40 2kiv h LEU 41 Ca -0.01 0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 2kiv h LEU 41 Cb 0.24 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2kiv h LEU 41 CO 0.02 0.17 -0.77 0.25 -0.34 0.00 0.00 178.44 177.77 2kiv h LEU 42 N 0.65 0.00 -0.53 2.25 5.85 -0.42 -3.29 115.31 119.81 2kiv h LEU 42 Ca 0.61 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 59.17 2kiv h LEU 42 Cb 1.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2kiv h LEU 42 CO -0.44 0.54 -0.69 -0.08 -0.34 0.00 0.00 178.44 177.42 2kiv h GLU 43 N 0.00 0.22 0.00 1.25 4.81 0.32 -3.35 114.58 117.83 2kiv h GLU 43 Ca -0.05 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2kiv h GLU 43 Cb 1.45 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.86 2kiv h GLU 43 CO 0.06 0.83 0.00 -0.89 -0.73 0.00 0.00 179.01 178.28 2kiv n ILE 44 N -3.80 0.00 0.00 2.32 2.08 0.80 -4.93 119.36 115.83 2kiv n ILE 44 Ca -0.03 1.41 0.00 0.00 0.56 0.00 0.00 62.75 64.70 2kiv n ILE 44 Cb 0.68 -2.22 0.00 0.00 -0.75 0.00 0.00 39.64 37.35 2kiv n ILE 44 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2kiv n GLY 45 N -0.95 0.03 3.58 7.39 0.00 -1.26 -5.06 105.19 108.92 2kiv n GLY 45 Ca 0.00 -0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 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 0.36 -3.75 -0.61 -0.00 -1.26 -4.94 119.36 109.16 2kiv n ILE 46 Ca 0.00 -0.22 -0.16 0.00 -0.00 0.00 0.00 62.75 62.37 2kiv n ILE 46 Cb 0.00 -1.83 -0.16 0.00 -0.00 0.00 0.00 39.64 37.65 2kiv n ILE 46 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 2kiv s LEU 47 N 6.02 0.82 -1.45 1.39 1.98 -1.26 -4.66 118.68 121.51 2kiv s LEU 47 Ca 1.01 0.08 -0.10 0.00 -2.89 0.00 0.00 54.13 52.23 2kiv s LEU 47 Cb -0.74 -0.03 0.06 0.00 0.66 0.00 0.00 46.19 46.14 2kiv s LEU 47 CO 0.49 -0.16 0.76 0.59 -1.89 0.00 0.00 176.35 176.15 2kiv n ASN 48 N 4.44 -4.88 -0.53 3.68 5.03 -1.26 -4.84 115.26 116.89 2kiv n ASN 48 Ca -0.22 -0.53 0.05 0.00 0.87 0.00 0.00 54.58 54.74 2kiv n ASN 48 Cb 0.50 -3.94 0.12 0.00 -1.02 0.00 0.00 39.78 35.44 2kiv n ASN 48 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2kiv n SER 49 N -2.61 2.63 -2.53 6.41 7.64 -1.26 -4.97 113.62 118.93 2kiv n SER 49 Ca -0.01 -1.88 -0.14 0.00 1.01 0.00 0.00 58.87 57.85 2kiv n SER 49 Cb 0.55 -0.17 -0.00 0.00 -1.01 0.00 0.00 64.21 63.58 2kiv n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kiv n GLY 50 N 0.43 -0.50 0.00 0.23 0.00 -1.26 -4.78 105.19 99.31 2kiv n GLY 50 Ca 0.09 0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.48 0.00 0.11 1.61 -0.00 -1.26 -4.68 115.22 107.52 2kiv n HIS 51 Ca -0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.45 2kiv n HIS 51 Cb 0.61 -0.02 -0.08 0.00 -0.00 0.00 0.00 29.99 30.50 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 -0.61 -0.92 1.57 -0.00 -1.93 -0.85 114.38 111.63 2kiv h ARG 52 Ca 0.00 0.04 0.15 0.00 -0.50 0.00 0.00 59.98 59.67 2kiv h ARG 52 Cb 0.18 0.14 -0.10 0.00 0.00 0.00 0.00 29.97 30.19 2kiv h ARG 52 CO 0.00 -0.41 0.52 1.96 0.00 0.00 0.00 179.97 182.05 2kiv h GLN 53 N -0.64 0.71 0.16 0.04 4.20 -1.98 0.17 115.11 117.78 2kiv h GLN 53 Ca -0.01 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2kiv h GLN 53 Cb 0.62 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 2kiv h GLN 53 CO -0.20 0.47 -0.15 -0.09 -0.67 0.00 0.00 178.83 178.19 2kiv h ARG 54 N 0.74 -0.30 -0.17 1.46 9.65 -1.63 -0.58 114.38 123.54 2kiv h ARG 54 Ca 0.50 0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.45 2kiv h ARG 54 Cb 0.69 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.33 2kiv h ARG 54 CO -0.35 -0.20 0.14 0.82 2.80 0.00 0.00 179.97 183.19 2kiv h ILE 55 N -0.31 0.73 0.00 1.20 2.04 -0.92 0.03 117.51 120.27 2kiv h ILE 55 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2kiv h ILE 55 Cb 0.26 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2kiv h ILE 55 CO -0.01 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.32 2kiv n LEU 56 N -4.20 0.14 0.14 1.44 4.77 0.58 -0.08 117.00 119.78 2kiv n LEU 56 Ca 0.01 0.78 0.15 0.00 -0.03 0.00 0.00 56.01 56.92 2kiv n LEU 56 Cb 0.27 -0.37 0.69 0.00 -2.33 0.00 0.00 43.42 41.69 2kiv n LEU 56 CO 0.32 -0.37 1.13 1.56 -1.33 0.00 0.00 177.39 178.71 2kiv h GLN 57 N 0.00 0.00 -0.18 3.23 4.20 -1.06 0.50 115.11 121.79 2kiv h GLN 57 Ca 0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 2kiv h GLN 57 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2kiv h GLN 57 CO 0.00 0.00 -0.20 0.00 -0.67 0.00 0.00 178.83 177.96 2kiv h ALA 58 N 1.85 0.27 -0.00 3.87 0.00 -0.98 0.71 119.26 124.98 2kiv h ALA 58 Ca 0.12 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2kiv h ALA 58 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kiv h ALA 58 CO -0.00 0.20 -0.24 1.51 0.00 0.00 0.00 179.25 180.73 2kiv n ILE 59 N -4.46 0.00 -0.07 0.00 3.06 0.88 0.21 119.36 118.98 2kiv n ILE 59 Ca -0.06 -0.03 -0.09 0.00 -2.50 0.00 0.00 62.75 60.07 2kiv n ILE 59 Cb 0.40 -0.04 -0.15 0.00 0.54 0.00 0.00 39.64 40.39 2kiv n ILE 59 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2kiv n GLN 60 N -1.28 0.67 -0.05 9.51 1.13 0.17 -4.42 117.38 123.11 2kiv n GLN 60 Ca 0.09 0.10 -0.06 0.00 -1.94 0.00 0.00 57.00 55.19 2kiv n GLN 60 Cb 0.32 -1.62 -0.05 0.00 0.11 0.00 0.00 30.24 29.00 2kiv n GLN 60 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2kiv n LEU 61 N -2.85 2.42 -1.42 1.08 4.32 0.23 -5.04 117.00 115.74 2kiv n LEU 61 Ca -0.27 -0.04 0.13 0.00 -0.02 0.00 0.00 56.01 55.81 2kiv n LEU 61 Cb 1.12 -0.24 -0.07 0.00 -1.62 0.00 0.00 43.42 42.60 2kiv n LEU 61 CO 0.44 0.58 -0.59 0.18 -1.22 0.00 0.00 177.39 176.77 2kiv n LEU 62 N -2.69 -1.14 0.21 2.23 7.99 0.13 -4.55 117.00 119.18 2kiv n LEU 62 Ca -0.17 2.44 0.08 0.00 -0.01 0.00 0.00 56.01 58.35 2kiv n LEU 62 Cb 0.70 -2.94 0.45 0.00 -0.11 0.00 0.00 43.42 41.52 2kiv n LEU 62 CO 0.11 -1.77 0.77 1.55 -1.51 0.00 0.00 177.39 176.55 2kiv h PRO 63 N -1.03 0.00 -5.84 3.23 0.13 -1.95 -3.42 132.00 123.13 2kiv h PRO 63 Ca -0.15 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.39 2kiv h PRO 63 Cb 1.24 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.29 2kiv h PRO 63 CO 0.06 0.29 0.43 0.21 -0.23 0.00 0.00 178.00 178.75 2kiv s LYS 64 N -3.82 4.22 -0.01 0.86 2.47 -1.26 -4.94 119.74 117.26 2kiv s LYS 64 Ca -0.01 0.95 -0.09 0.00 -1.56 0.00 0.00 55.97 55.27 2kiv s LYS 64 Cb 0.12 -3.62 -0.30 0.00 -1.46 0.00 0.00 37.83 32.57 2kiv s LYS 64 CO 0.66 -0.44 0.82 1.98 0.16 0.00 0.00 175.35 178.53 2kiv h MET 65 N 7.55 0.36 -2.30 4.03 1.85 -1.87 -3.39 114.93 121.16 2kiv h MET 65 Ca -0.26 -0.62 -0.62 0.00 -0.61 0.00 0.00 59.70 57.59 2kiv h MET 65 Cb 1.11 0.23 -0.41 0.00 0.43 0.00 0.00 31.60 32.96 2kiv h MET 65 CO 0.86 1.26 -0.47 -2.13 -0.40 0.00 0.00 176.91 176.03 2kiv n ARG 66 N -3.56 2.66 -1.01 0.39 0.63 -1.26 -5.08 116.66 109.42 2kiv n ARG 66 Ca -0.19 -4.66 -0.29 0.00 -0.92 0.00 0.00 57.85 51.79 2kiv n ARG 66 Cb 1.07 -2.28 0.24 0.00 0.45 0.00 0.00 32.46 31.94 2kiv n ARG 66 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2kiv n PRO 67 N 0.95 -3.06 -0.02 -0.14 -0.04 -1.26 -5.00 135.00 126.43 2kiv n PRO 67 Ca 0.29 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 2kiv n PRO 67 Cb 0.40 -1.58 -0.13 0.00 -0.04 0.00 0.00 33.50 32.16 2kiv n PRO 67 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2kiv n ILE 68 N -4.77 0.92 -2.70 0.52 3.06 -1.26 -5.07 119.36 110.06 2kiv n ILE 68 Ca 0.15 -0.69 0.00 0.00 -2.50 0.00 0.00 62.75 59.71 2kiv n ILE 68 Cb 0.57 -0.45 0.00 0.00 0.54 0.00 0.00 39.64 40.30 2kiv n ILE 68 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2kiv n GLY 69 N 1.46 0.39 3.58 4.50 0.00 -1.26 -4.87 105.19 108.99 2kiv n GLY 69 Ca -0.15 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.66 2kiv n GLY 69 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kiv s HIS 70 N 0.00 2.64 -0.04 1.61 5.65 -1.26 -4.83 115.29 119.06 2kiv s HIS 70 Ca 0.00 -0.22 -0.23 0.00 0.25 0.00 0.00 55.06 54.86 2kiv s HIS 70 Cb 0.00 -1.28 -0.18 0.00 -1.18 0.00 0.00 32.58 29.95 2kiv s HIS 70 CO 0.00 0.53 1.01 -0.44 -0.65 0.00 0.00 174.74 175.19 2kiv h ASP 71 N 2.79 -0.14 -3.52 9.88 3.32 -2.04 -3.50 116.42 123.20 2kiv h ASP 71 Ca -0.46 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.18 2kiv h ASP 71 Cb 1.21 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2kiv h ASP 71 CO 0.55 0.40 0.00 0.61 -1.72 0.00 0.00 179.24 179.08 2kiv n GLY 72 N 0.46 3.59 3.98 2.75 0.00 -1.26 -5.14 105.19 109.56 2kiv n GLY 72 Ca -0.08 -1.56 -0.20 0.00 0.00 0.00 0.00 46.02 44.18 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 4.04 -0.28 4.61 0.00 -1.26 -5.12 121.76 121.74 2kiv s ALA 73 Ca 0.00 -1.36 -0.24 0.00 0.00 0.00 0.00 51.96 50.35 2kiv s ALA 73 Cb 0.00 -1.96 0.12 0.00 0.00 0.00 0.00 23.12 21.28 2kiv s ALA 73 CO 0.00 -0.52 1.03 -1.58 0.00 0.00 0.00 175.76 174.68 2kiv s HIS 74 N -2.59 -0.49 -0.18 0.00 5.04 -1.26 -5.13 115.29 110.68 2kiv s HIS 74 Ca 0.54 1.16 -0.29 0.00 -1.54 0.00 0.00 55.06 54.93 2kiv s HIS 74 Cb -0.10 0.36 -0.03 0.00 0.04 0.00 0.00 32.58 32.85 2kiv s HIS 74 CO 0.37 -0.23 1.59 -1.25 -2.34 0.00 0.00 174.74 172.87 2kiv s PRO 75 N 0.33 3.92 0.30 2.88 0.04 -1.26 -4.96 135.00 136.24 2kiv s PRO 75 Ca 0.02 1.77 -0.18 0.00 0.04 0.00 0.00 61.00 62.64 2kiv s PRO 75 Cb -0.05 -4.00 0.02 0.00 0.04 0.00 0.00 34.50 30.52 2kiv s PRO 75 CO -0.07 -1.14 0.70 -0.08 0.04 0.00 0.00 177.00 176.45 2kiv s THR 76 N 4.79 0.00 0.79 1.26 -1.32 -1.26 -5.08 115.64 114.82 2kiv s THR 76 Ca 0.70 -1.06 -0.12 0.00 -1.21 0.00 0.00 61.69 59.99 2kiv s THR 76 Cb -0.26 -2.24 0.07 0.00 -1.51 0.00 0.00 72.50 68.56 2kiv s THR 76 CO 0.28 0.00 1.15 -0.44 -2.21 0.00 0.00 174.62 173.40 2kiv s SER 77 N -2.97 3.97 0.26 8.08 0.01 -1.26 -3.47 113.70 118.31 2kiv s SER 77 Ca 0.14 2.14 -0.02 0.00 1.31 0.00 0.00 55.95 59.52 2kiv s SER 77 Cb -0.05 -2.56 0.51 0.00 0.21 0.00 0.00 66.02 64.13 2kiv s SER 77 CO 0.09 -2.40 1.74 0.58 0.41 0.00 0.00 173.24 173.65 2kiv h VAL 78 N -0.94 0.67 0.69 3.43 2.07 -1.83 -0.03 116.25 120.30 2kiv h VAL 78 Ca -0.45 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 2kiv h VAL 78 Cb 1.27 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2kiv h VAL 78 CO 0.48 0.09 -0.35 0.00 0.02 0.00 0.00 177.57 177.81 2kiv h ALA 79 N 1.56 -1.24 -0.92 1.67 0.00 -1.92 0.54 119.26 118.96 2kiv h ALA 79 Ca 0.44 -0.21 0.23 0.00 0.00 0.00 0.00 54.91 55.38 2kiv h ALA 79 Cb 0.67 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 2kiv h ALA 79 CO -0.40 -1.18 0.62 0.93 0.00 0.00 0.00 179.25 179.23 2kiv h GLU 80 N -0.95 0.26 0.45 0.00 4.39 -1.84 0.15 114.58 117.04 2kiv h GLU 80 Ca -0.09 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 2kiv h GLU 80 Cb 0.74 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2kiv h GLU 80 CO 0.14 0.17 -0.22 2.35 -1.16 0.00 0.00 179.01 180.30 2kiv h TRP 81 N 0.27 -0.56 -0.06 4.33 7.01 -0.67 -3.14 115.95 123.13 2kiv h TRP 81 Ca 0.47 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.47 2kiv h TRP 81 Cb 1.39 0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 28.63 2kiv h TRP 81 CO -0.00 -0.35 0.12 -0.07 -2.79 0.00 0.00 178.44 175.36 2kiv h LEU 82 N -0.95 0.00 -2.12 0.65 3.38 -0.36 0.24 115.31 116.14 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 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2kiv h LEU 82 CO 0.10 0.00 0.00 -0.78 0.09 0.00 0.00 178.44 177.85 2kiv h ASP 83 N 0.00 0.00 0.00 -0.43 3.58 -0.66 -0.79 116.42 118.12 2kiv h ASP 83 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2kiv h ASP 83 Cb 0.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2kiv h ASP 83 CO -0.00 0.00 -1.04 -1.54 -2.88 0.00 0.00 179.24 173.78 2kiv n SER 84 N -2.73 1.00 -0.60 2.28 3.41 0.07 -4.33 113.62 112.73 2kiv n SER 84 Ca -0.02 -0.54 0.05 0.00 -0.26 0.00 0.00 58.87 58.10 2kiv n SER 84 Cb 0.09 1.25 0.14 0.00 -0.26 0.00 0.00 64.21 65.43 2kiv n SER 84 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2kiv n ILE 85 N -1.59 0.44 -1.37 -1.33 2.08 -0.34 -4.87 119.36 112.39 2kiv n ILE 85 Ca 0.01 -0.43 -0.13 0.00 0.56 0.00 0.00 62.75 62.76 2kiv n ILE 85 Cb 0.29 0.20 -0.06 0.00 -0.75 0.00 0.00 39.64 39.32 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 0.43 -1.05 -3.94 0.38 4.71 -1.17 -4.93 120.64 115.07 2kiv n GLU 86 Ca 0.11 0.93 -0.27 0.00 -0.01 0.00 0.00 57.16 57.92 2kiv n GLU 86 Cb 0.28 -5.04 -0.01 0.00 -1.01 0.00 0.00 31.44 25.66 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 -2.92 2.63 0.11 -4.62 2.01 -1.00 -5.04 118.68 109.84 2kiv s LEU 87 Ca 0.00 -1.30 0.00 0.00 0.01 0.00 0.00 54.13 52.84 2kiv s LEU 87 Cb 0.00 -1.12 0.00 0.00 0.01 0.00 0.00 46.19 45.08 2kiv s LEU 87 CO 0.00 -1.13 0.00 0.61 1.01 0.00 0.00 176.35 176.84 2kiv n GLY 88 N -1.77 -0.92 0.30 -3.19 0.00 -1.26 -4.40 105.19 93.95 2kiv n GLY 88 Ca -0.03 0.24 0.09 0.00 0.00 0.00 0.00 46.02 46.32 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 0.30 -1.00 1.61 3.58 -1.99 0.28 116.42 119.20 2kiv h ASP 89 Ca 0.00 0.13 0.28 0.00 0.42 0.00 0.00 57.03 57.86 2kiv h ASP 89 Cb 0.00 0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.11 2kiv h ASP 89 CO 0.00 0.06 0.71 1.88 -2.88 0.00 0.00 179.24 179.00 2kiv h TYR 90 N 0.43 0.14 -0.93 0.28 0.05 -2.00 -0.18 116.97 114.76 2kiv h TYR 90 Ca 0.48 0.00 0.25 0.00 0.05 0.00 0.00 58.73 59.52 2kiv h TYR 90 Cb 0.82 -0.04 -0.13 0.00 1.01 0.00 0.00 36.73 38.39 2kiv h TYR 90 CO -0.16 0.02 0.42 1.15 -1.05 0.00 0.00 178.16 178.54 2kiv h THR 91 N 0.09 0.41 -0.51 -2.88 2.02 -0.82 0.32 112.91 111.55 2kiv h THR 91 Ca 0.49 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 67.51 2kiv h THR 91 Cb 1.80 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 2kiv h THR 91 CO -0.06 0.07 0.15 0.07 0.37 0.00 0.00 175.52 176.12 2kiv h LYS 92 N 0.37 0.79 0.09 6.66 2.10 -1.18 -0.77 116.57 124.64 2kiv h LYS 92 Ca 0.60 -0.17 -0.00 0.00 -2.00 0.00 0.00 60.65 59.08 2kiv h LYS 92 Cb 1.22 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2kiv h LYS 92 CO -0.56 0.74 -0.04 0.00 -2.00 0.00 0.00 179.45 177.58 2kiv h ALA 93 N 1.01 -0.13 -0.74 0.07 0.00 -0.66 -1.45 119.26 117.37 2kiv h ALA 93 Ca 0.16 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2kiv h ALA 93 Cb 0.28 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 2kiv h ALA 93 CO -0.00 -0.40 0.42 0.74 0.00 0.00 0.00 179.25 180.01 2kiv h PHE 94 N -0.47 0.77 0.85 0.00 -1.00 -0.53 0.21 116.94 116.78 2kiv h PHE 94 Ca -0.01 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.75 2kiv h PHE 94 Cb 0.39 -0.24 0.01 0.00 3.61 0.00 0.00 35.95 39.73 2kiv h PHE 94 CO 0.04 0.36 -0.41 -0.07 -1.61 0.00 0.00 178.31 176.62 2kiv h LEU 95 N 0.76 -0.97 -2.43 1.54 3.38 -1.11 0.29 115.31 116.77 2kiv h LEU 95 Ca 0.33 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.36 2kiv h LEU 95 Cb 0.22 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2kiv h LEU 95 CO -0.20 -0.62 0.12 0.16 0.09 0.00 0.00 178.44 178.00 2kiv h ILE 96 N -1.31 0.33 0.00 1.22 3.07 -1.11 0.92 117.51 120.64 2kiv h ILE 96 Ca -0.12 0.00 -0.12 0.00 1.55 0.00 0.00 64.86 66.17 2kiv h ILE 96 Cb 0.88 0.90 -0.02 0.00 -0.27 0.00 0.00 36.82 38.31 2kiv h ILE 96 CO 0.19 0.00 -0.59 0.78 -1.05 0.00 0.00 178.15 177.48 2kiv h ASN 97 N 0.00 0.00 0.00 2.16 2.35 -0.29 -3.47 115.58 116.33 2kiv h ASN 97 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2kiv h ASN 97 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2kiv h ASN 97 CO -0.00 0.59 0.00 0.61 -1.65 0.00 0.00 177.43 176.98 2kiv n GLY 98 N 0.83 1.00 3.55 2.83 0.00 0.32 -5.06 105.19 108.66 2kiv n GLY 98 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 1.96 -0.06 1.61 2.02 0.96 -4.70 117.35 117.14 2kiv s TYR 99 Ca 0.00 0.34 0.09 0.00 -0.37 0.00 0.00 57.07 57.13 2kiv s TYR 99 Cb 0.00 -4.32 -0.13 0.00 -0.40 0.00 0.00 41.96 37.11 2kiv s TYR 99 CO 0.00 -2.12 0.11 2.41 -1.57 0.00 0.00 175.55 174.38 2kiv n THR 100 N 7.00 0.37 -4.92 -0.71 -1.04 -1.26 -4.33 114.28 109.39 2kiv n THR 100 Ca 0.19 -0.32 -0.29 0.00 -2.04 0.00 0.00 64.05 61.59 2kiv n THR 100 Cb 0.50 -0.32 -0.17 0.00 -1.82 0.00 0.00 70.33 68.52 2kiv n THR 100 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2kiv s SER 101 N -3.72 2.49 0.45 8.00 0.01 -1.26 -4.36 113.70 115.31 2kiv s SER 101 Ca -0.04 -0.44 0.21 0.00 1.31 0.00 0.00 55.95 56.99 2kiv s SER 101 Cb 0.04 -1.14 1.19 0.00 0.21 0.00 0.00 66.02 66.32 2kiv s SER 101 CO 0.39 0.10 1.87 -0.03 0.41 0.00 0.00 173.24 175.98 2kiv h MET 102 N 6.85 0.28 -1.01 12.44 4.05 -1.90 0.15 114.93 135.80 2kiv h MET 102 Ca -0.25 -0.02 0.23 0.00 -0.28 0.00 0.00 59.70 59.39 2kiv h MET 102 Cb 1.21 -0.06 -0.11 0.00 -0.80 0.00 0.00 31.60 31.84 2kiv h MET 102 CO 0.47 0.19 0.61 -0.44 0.23 0.00 0.00 176.91 177.97 2kiv h ASP 103 N 0.29 0.67 -0.80 1.39 3.32 -1.95 0.28 116.42 119.62 2kiv h ASP 103 Ca 0.45 0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.67 2kiv h ASP 103 Cb 1.29 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.80 2kiv h ASP 103 CO -0.13 0.16 0.53 -0.07 -1.72 0.00 0.00 179.24 178.00 2kiv h LEU 104 N 0.61 0.81 -2.70 1.55 3.38 -1.39 0.05 115.31 117.61 2kiv h LEU 104 Ca 0.61 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.59 2kiv h LEU 104 Cb 1.17 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2kiv h LEU 104 CO -0.41 0.53 0.06 -0.07 0.09 0.00 0.00 178.44 178.64 2kiv h LEU 105 N 0.92 0.00 -1.23 1.67 3.38 -0.56 -0.08 115.31 119.41 2kiv h LEU 105 Ca 0.33 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.23 2kiv h LEU 105 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2kiv h LEU 105 CO -0.11 0.00 -0.38 0.50 0.09 0.00 0.00 178.44 178.54 2kiv h LYS 106 N 0.00 0.00 -0.79 1.13 1.63 -0.99 -2.48 116.57 115.08 2kiv h LYS 106 Ca 0.01 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.61 2kiv h LYS 106 Cb 0.12 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 31.63 2kiv h LYS 106 CO -0.00 0.38 0.26 1.63 -3.45 0.00 0.00 179.45 178.27 2kiv n LYS 107 N -4.01 3.48 -4.34 1.90 5.02 -0.05 -4.90 118.16 115.26 2kiv n LYS 107 Ca -0.02 -2.78 -0.34 0.00 -2.02 0.00 0.00 58.31 53.16 2kiv n LYS 107 Cb 0.42 -2.14 -0.12 0.00 -0.02 0.00 0.00 35.03 33.18 2kiv n LYS 107 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2kiv s ILE 108 N -2.75 4.02 0.56 -0.18 -1.09 -0.93 -5.11 121.20 115.71 2kiv s ILE 108 Ca 0.50 -0.31 0.08 0.00 -2.23 0.00 0.00 60.65 58.68 2kiv s ILE 108 Cb 0.40 -2.77 0.06 0.00 -1.58 0.00 0.00 42.46 38.57 2kiv s ILE 108 CO 0.12 0.49 0.59 0.00 -1.23 0.00 0.00 174.94 174.91 2kiv s ALA 109 N 0.37 4.56 0.01 9.38 0.00 -1.26 -4.95 121.76 129.87 2kiv s ALA 109 Ca -0.03 -1.70 -0.06 0.00 0.00 0.00 0.00 51.96 50.17 2kiv s ALA 109 Cb -0.14 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 2kiv s ALA 109 CO 0.03 -0.64 1.10 1.49 0.00 0.00 0.00 175.76 177.73 2kiv h GLU 110 N 0.48 -0.19 -0.71 0.00 4.57 -1.99 0.10 114.58 116.84 2kiv h GLU 110 Ca -0.34 0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.01 2kiv h GLU 110 Cb 1.30 0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 29.82 2kiv h GLU 110 CO 0.49 -0.13 0.13 -0.24 -1.18 0.00 0.00 179.01 178.08 2kiv h VAL 111 N -0.20 0.51 -0.93 0.32 3.04 -1.97 0.13 116.25 117.14 2kiv h VAL 111 Ca -0.02 -0.08 0.09 0.00 -1.01 0.00 0.00 66.70 65.68 2kiv h VAL 111 Cb 0.16 0.26 -0.07 0.00 -2.01 0.00 0.00 31.29 29.63 2kiv h VAL 111 CO 0.01 0.04 0.58 -0.33 -1.01 0.00 0.00 177.57 176.86 2kiv h GLU 112 N 0.23 0.96 -0.30 4.17 4.39 -1.94 0.35 114.58 122.44 2kiv h GLU 112 Ca 0.39 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.90 2kiv h GLU 112 Cb 0.66 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2kiv h GLU 112 CO -0.52 0.63 -0.35 1.25 -1.16 0.00 0.00 179.01 178.87 2kiv h LEU 113 N 0.99 0.70 -0.18 1.33 5.85 0.13 0.30 115.31 124.42 2kiv h LEU 113 Ca 0.43 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2kiv h LEU 113 Cb 0.31 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2kiv h LEU 113 CO -0.22 0.99 0.00 0.40 -0.34 0.00 0.00 178.44 179.27 2kiv h ILE 114 N 0.56 0.00 0.00 4.05 2.04 0.03 0.38 117.51 124.57 2kiv h ILE 114 Ca 0.06 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 2kiv h ILE 114 Cb 0.86 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 2kiv h ILE 114 CO 0.07 0.00 -1.94 -3.20 0.00 0.00 0.00 178.15 173.09 2kiv n ASN 115 N -2.67 0.11 -0.09 1.72 5.15 0.11 -3.31 115.26 116.29 2kiv n ASN 115 Ca 0.04 0.04 -0.15 0.00 -0.60 0.00 0.00 54.58 53.92 2kiv n ASN 115 Cb 0.44 1.67 -0.05 0.00 -0.53 0.00 0.00 39.78 41.31 2kiv n ASN 115 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2kiv n VAL 116 N -2.38 1.36 0.05 3.44 0.31 0.10 -4.69 118.33 116.52 2kiv n VAL 116 Ca -0.07 -0.03 -0.02 0.00 -0.01 0.00 0.00 64.34 64.21 2kiv n VAL 116 Cb 0.65 -2.04 -0.08 0.00 -0.91 0.00 0.00 33.84 31.47 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 -0.82 0.00 -1.28 7.52 -0.00 -0.62 -3.49 115.31 116.64 2kiv h LEU 117 Ca -0.25 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.35 2kiv h LEU 117 Cb 1.11 0.00 0.12 0.00 -0.00 0.00 0.00 40.66 41.89 2kiv h LEU 117 CO -0.15 0.69 -0.56 0.29 -0.00 0.00 0.00 178.44 178.71 2kiv n LYS 118 N -3.03 -5.72 -2.81 1.13 5.02 0.91 -4.95 118.16 108.71 2kiv n LYS 118 Ca -0.08 0.65 -0.43 0.00 -2.02 0.00 0.00 58.31 56.44 2kiv n LYS 118 Cb 0.87 -5.12 -0.04 0.00 -0.02 0.00 0.00 35.03 30.72 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 4.25 -0.20 -0.18 1.01 -1.24 -4.82 121.20 116.76 2kiv s ILE 119 Ca 0.25 -0.14 0.09 0.00 0.00 0.00 0.00 60.65 60.85 2kiv s ILE 119 Cb -0.11 -4.69 -0.22 0.00 0.01 0.00 0.00 42.46 37.45 2kiv s ILE 119 CO 0.57 -1.45 0.05 -0.46 0.00 0.00 0.00 174.94 173.65 2kiv n ASN 120 N 7.90 1.06 -4.64 3.58 0.23 -1.26 -4.76 115.26 117.37 2kiv n ASN 120 Ca -0.02 0.01 -0.47 0.00 -0.53 0.00 0.00 54.58 53.58 2kiv n ASN 120 Cb 0.46 0.16 -0.04 0.00 -2.08 0.00 0.00 39.78 38.29 2kiv n ASN 120 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2kiv n LEU 121 N -3.05 2.52 -0.12 -4.53 7.94 -1.26 -4.89 117.00 113.62 2kiv n LEU 121 Ca -0.36 1.13 -0.13 0.00 -1.11 0.00 0.00 56.01 55.53 2kiv n LEU 121 Cb 1.07 -1.34 -0.03 0.00 0.53 0.00 0.00 43.42 43.65 2kiv n LEU 121 CO 0.37 -0.71 0.55 0.40 -1.11 0.00 0.00 177.39 176.89 2kiv h ILE 122 N 3.13 1.28 -0.29 1.96 2.04 -1.92 -0.74 117.51 122.97 2kiv h ILE 122 Ca -0.45 -1.54 -0.02 0.00 1.00 0.00 0.00 64.86 63.86 2kiv h ILE 122 Cb 1.29 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 2kiv h ILE 122 CO 0.78 0.51 0.12 1.23 0.00 0.00 0.00 178.15 180.79 2kiv h GLY 123 N 0.71 0.46 0.52 5.37 0.00 -0.77 0.13 103.07 109.49 2kiv h GLY 123 Ca 0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 2kiv h GLY 123 CO 0.09 0.24 -0.02 0.45 0.00 0.00 0.00 176.54 177.30 2kiv h HIS 124 N 0.32 -0.05 -0.10 5.60 3.86 -1.77 -1.35 115.15 121.66 2kiv h HIS 124 Ca 0.10 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2kiv h HIS 124 Cb 0.17 0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.66 2kiv h HIS 124 CO -0.01 0.41 0.06 0.07 0.86 0.00 0.00 177.93 179.32 2kiv h ARG 125 N -0.54 0.13 0.20 2.45 -0.00 -1.14 -1.11 114.38 114.37 2kiv h ARG 125 Ca -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.98 59.96 2kiv h ARG 125 Cb 0.49 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.43 2kiv h ARG 125 CO 0.01 0.09 -0.10 -0.22 -0.00 0.00 0.00 179.97 179.75 2kiv h LYS 126 N 0.13 -0.26 -0.73 0.08 1.63 -0.67 -0.58 116.57 116.16 2kiv h LYS 126 Ca 0.04 0.02 0.11 0.00 -0.85 0.00 0.00 60.65 59.97 2kiv h LYS 126 Cb -0.01 0.06 -0.08 0.00 -0.60 0.00 0.00 32.23 31.60 2kiv h LYS 126 CO -0.01 0.08 0.34 0.00 -3.45 0.00 0.00 179.45 176.42 2kiv h ARG 127 N -0.95 0.53 0.29 1.90 3.08 -1.06 0.27 114.38 118.44 2kiv h ARG 127 Ca -0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2kiv h ARG 127 Cb 0.47 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2kiv h ARG 127 CO 0.05 0.35 -0.14 0.82 -1.07 0.00 0.00 179.97 179.98 2kiv h ILE 128 N 0.55 0.68 -0.93 2.04 2.04 -1.29 -1.05 117.51 119.54 2kiv h ILE 128 Ca 0.38 -0.71 0.14 0.00 1.00 0.00 0.00 64.86 65.66 2kiv h ILE 128 Cb 0.47 1.02 -0.09 0.00 -0.74 0.00 0.00 36.82 37.48 2kiv h ILE 128 CO -0.32 0.13 0.54 0.25 0.00 0.00 0.00 178.15 178.75 2kiv h LEU 129 N -0.81 0.73 0.15 1.44 7.12 -0.78 -0.94 115.31 122.22 2kiv h LEU 129 Ca -0.04 0.07 -0.01 0.00 0.13 0.00 0.00 57.88 58.03 2kiv h LEU 129 Cb 0.51 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.58 2kiv h LEU 129 CO 0.07 0.35 -0.07 0.00 -0.13 0.00 0.00 178.44 178.65 2kiv h ALA 130 N 1.55 -0.21 -0.77 1.25 0.00 -0.47 0.24 119.26 120.86 2kiv h ALA 130 Ca 0.49 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.36 2kiv h ALA 130 Cb 0.60 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.38 2kiv h ALA 130 CO -0.32 -0.45 0.33 0.66 0.00 0.00 0.00 179.25 179.47 2kiv h SER 131 N -0.54 0.33 0.20 0.00 4.64 -0.59 -2.51 113.55 115.08 2kiv h SER 131 Ca -0.02 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 2kiv h SER 131 Cb 0.42 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2kiv h SER 131 CO 0.03 0.13 -0.10 -0.07 -0.87 0.00 0.00 176.83 175.96 2kiv h LEU 132 N 0.48 -0.23 0.00 5.97 3.38 -1.15 -3.47 115.31 120.29 2kiv h LEU 132 Ca 0.42 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2kiv h LEU 132 Cb 0.62 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2kiv h LEU 132 CO -0.39 0.24 0.00 0.61 0.09 0.00 0.00 178.44 178.98 2kiv n GLY 133 N 0.16 2.16 3.47 0.83 0.00 0.07 -5.10 105.19 106.78 2kiv n GLY 133 Ca -0.09 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 2kiv n GLY 133 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kiv n ASP 134 N 0.00 -1.67 0.00 1.61 5.75 -1.25 -5.01 116.55 115.98 2kiv n ASP 134 Ca 0.00 -0.14 0.16 0.00 -0.01 0.00 0.00 54.79 54.80 2kiv n ASP 134 Cb 0.00 -1.26 0.94 0.00 -1.03 0.00 0.00 41.12 39.77 2kiv n ASP 134 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63