#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 0.66 -0.23 7.34 2.00 -1.26 -5.09 119.66 123.08 2kiv s GLN 2 Ca 0.00 -1.03 -0.08 0.00 -2.00 0.00 0.00 55.36 52.25 2kiv s GLN 2 Cb 0.00 0.25 -0.04 0.00 0.80 0.00 0.00 33.01 34.02 2kiv s GLN 2 CO 0.00 -0.16 0.08 0.95 -0.50 0.00 0.00 175.29 175.66 2kiv s THR 3 N -3.55 4.57 0.32 -0.34 -4.23 -1.26 -3.90 115.64 107.26 2kiv s THR 3 Ca 0.03 -0.09 0.07 0.00 -1.18 0.00 0.00 61.69 60.52 2kiv s THR 3 Cb 0.05 -3.11 0.31 0.00 1.34 0.00 0.00 72.50 71.09 2kiv s THR 3 CO -0.09 0.37 1.81 0.58 -0.54 0.00 0.00 174.62 176.76 2kiv h VAL 4 N 5.28 0.77 -0.51 2.29 2.07 -1.93 -0.14 116.25 124.09 2kiv h VAL 4 Ca -0.37 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 66.80 2kiv h VAL 4 Cb 1.18 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2kiv h VAL 4 CO 0.62 0.14 -0.07 1.23 0.02 0.00 0.00 177.57 179.51 2kiv h GLY 5 N 0.76 0.97 0.69 2.17 0.00 -1.93 -0.29 103.07 105.44 2kiv h GLY 5 Ca 0.53 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 2kiv h GLY 5 CO -0.30 0.67 -0.04 -1.61 0.00 0.00 0.00 176.54 175.26 2kiv h GLN 6 N 0.82 0.18 -0.26 4.80 4.15 -1.49 -0.03 115.11 123.29 2kiv h GLN 6 Ca 0.14 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 2kiv h GLN 6 Cb 0.58 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 2kiv h GLN 6 CO 0.04 0.54 0.09 2.35 -1.93 0.00 0.00 178.83 179.91 2kiv h TRP 7 N -0.17 0.41 -0.66 3.99 7.01 -1.19 0.33 115.95 125.67 2kiv h TRP 7 Ca 0.02 -0.04 -0.04 0.00 2.11 0.00 0.00 58.89 60.94 2kiv h TRP 7 Cb 0.48 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.39 2kiv h TRP 7 CO 0.06 0.45 0.26 1.25 -2.79 0.00 0.00 178.44 177.68 2kiv h LEU 8 N 0.26 0.91 -0.59 0.65 5.85 -1.08 -0.99 115.31 120.32 2kiv h LEU 8 Ca 0.08 -0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 2kiv h LEU 8 Cb 0.23 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2kiv h LEU 8 CO -0.00 0.83 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.81 2kiv h GLU 9 N 0.93 1.06 -0.20 1.25 4.22 -0.85 0.20 114.58 121.19 2kiv h GLU 9 Ca 0.22 -0.36 -0.02 0.00 0.08 0.00 0.00 59.36 59.28 2kiv h GLU 9 Cb 0.21 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2kiv h GLU 9 CO -0.02 1.06 0.04 1.03 -2.18 0.00 0.00 179.01 178.94 2kiv h SER 10 N 0.95 0.31 0.85 1.04 0.87 -0.67 -2.90 113.55 113.99 2kiv h SER 10 Ca 0.16 -0.24 -0.09 0.00 -1.23 0.00 0.00 61.79 60.39 2kiv h SER 10 Cb 0.60 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2kiv h SER 10 CO 0.04 0.47 -0.44 0.16 -0.53 0.00 0.00 176.83 176.53 2kiv h ILE 11 N 0.13 1.00 0.00 2.23 3.07 -1.13 -3.47 117.51 119.34 2kiv h ILE 11 Ca 0.06 -1.71 0.00 0.00 1.55 0.00 0.00 64.86 64.76 2kiv h ILE 11 Cb 0.29 2.02 0.00 0.00 -0.27 0.00 0.00 36.82 38.85 2kiv h ILE 11 CO 0.00 0.43 0.00 0.61 -1.05 0.00 0.00 178.15 178.14 2kiv n GLY 12 N 0.32 0.87 3.36 0.16 0.00 0.69 -4.94 105.19 105.65 2kiv n GLY 12 Ca -0.00 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 0.13 -1.15 0.99 1.43 -1.06 -4.66 118.68 114.36 2kiv s LEU 13 Ca 0.00 -0.01 -0.23 0.00 -1.03 0.00 0.00 54.13 52.87 2kiv s LEU 13 Cb 0.00 1.99 -0.10 0.00 0.03 0.00 0.00 46.19 48.11 2kiv s LEU 13 CO 0.00 -0.76 1.93 -0.81 0.23 0.00 0.00 176.35 176.95 2kiv n PRO 14 N 0.22 1.58 0.00 1.29 -0.04 -1.26 -4.28 135.00 132.50 2kiv n PRO 14 Ca -0.18 -2.41 0.00 0.00 -0.04 0.00 0.00 63.50 60.87 2kiv n PRO 14 Cb 0.61 -3.67 0.00 0.00 -0.04 0.00 0.00 33.50 30.41 2kiv n PRO 14 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2kiv n GLN 15 N 8.17 0.59 -0.84 0.54 3.00 -1.26 -4.74 117.38 122.85 2kiv n GLN 15 Ca 0.45 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.51 2kiv n GLN 15 Cb 0.46 -0.86 0.39 0.00 0.00 0.00 0.00 30.24 30.23 2kiv n GLN 15 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2kiv n TYR 16 N -2.09 1.95 0.38 1.08 4.01 -1.26 -4.54 117.16 116.70 2kiv n TYR 16 Ca 0.00 -0.69 -0.16 0.00 -0.16 0.00 0.00 57.90 56.89 2kiv n TYR 16 Cb 0.36 -0.46 -0.08 0.00 -0.31 0.00 0.00 39.34 38.85 2kiv n TYR 16 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2kiv h GLU 17 N 3.94 -0.96 -0.56 -0.72 5.08 -1.88 -1.08 114.58 118.41 2kiv h GLU 17 Ca 0.00 0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.51 2kiv h GLU 17 Cb 1.87 0.22 -0.07 0.00 0.50 0.00 0.00 28.75 31.27 2kiv h GLU 17 CO 0.44 -0.62 0.19 -0.97 -1.00 0.00 0.00 179.01 177.05 2kiv h ASN 18 N -1.20 0.17 0.44 1.42 -1.24 -1.95 -1.00 115.58 112.22 2kiv h ASN 18 Ca -0.10 0.07 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 2kiv h ASN 18 Cb 0.78 0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.88 2kiv h ASN 18 CO 0.17 0.11 -0.37 0.45 -1.29 0.00 0.00 177.43 176.50 2kiv h HIS 19 N 0.36 -1.01 0.13 0.67 3.86 -1.84 0.86 115.15 118.18 2kiv h HIS 19 Ca 0.28 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.50 2kiv h HIS 19 Cb 0.33 0.38 -0.05 0.00 1.06 0.00 0.00 27.41 29.14 2kiv h HIS 19 CO -0.18 -0.54 -0.51 -0.07 0.86 0.00 0.00 177.93 177.50 2kiv h LEU 20 N -0.82 -1.53 -0.29 2.43 4.07 -0.84 0.35 115.31 118.69 2kiv h LEU 20 Ca -0.04 0.16 0.07 0.00 0.08 0.00 0.00 57.88 58.15 2kiv h LEU 20 Cb 0.71 0.56 -0.08 0.00 1.08 0.00 0.00 40.66 42.94 2kiv h LEU 20 CO -0.02 -0.55 -0.28 -0.03 -1.08 0.00 0.00 178.44 176.48 2kiv h MET 21 N -0.75 -0.25 0.00 1.13 4.05 -0.70 0.46 114.93 118.88 2kiv h MET 21 Ca -0.00 0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2kiv h MET 21 Cb 0.75 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.61 2kiv h MET 21 CO -0.28 -0.17 -0.02 0.00 0.23 0.00 0.00 176.91 176.68 2kiv h ALA 22 N 0.76 1.31 -0.39 0.39 0.00 -0.42 0.42 119.26 121.33 2kiv h ALA 22 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kiv h ALA 22 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2kiv h ALA 22 CO -0.44 0.02 0.00 0.09 0.00 0.00 0.00 179.25 178.92 2kiv n ASN 23 N -3.55 3.00 0.00 0.00 3.02 0.12 -4.87 115.26 112.97 2kiv n ASN 23 Ca -0.03 -2.25 0.00 0.00 -0.03 0.00 0.00 54.58 52.27 2kiv n ASN 23 Cb 0.11 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 2kiv n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kiv n GLY 24 N 0.82 3.29 2.68 7.41 0.00 0.14 -0.55 105.19 118.98 2kiv n GLY 24 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.79 2.97 -0.01 1.61 3.72 0.12 -4.41 117.46 119.68 2kiv n PHE 25 Ca 0.00 -2.80 0.04 0.00 -0.05 0.00 0.00 57.45 54.65 2kiv n PHE 25 Cb 0.00 -2.39 -0.13 0.00 -0.94 0.00 0.00 39.48 36.02 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 5.65 0.27 -3.96 4.37 5.68 -1.26 -2.20 116.55 125.10 2kiv n ASP 26 Ca 0.57 0.11 -0.27 0.00 -0.50 0.00 0.00 54.79 54.70 2kiv n ASP 26 Cb 0.34 1.23 -0.17 0.00 -1.14 0.00 0.00 41.12 41.39 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 -5.08 2.22 0.55 -1.12 2.47 -1.26 -4.51 114.94 108.20 2kiv s ASN 27 Ca -0.07 -0.34 0.30 0.00 0.42 0.00 0.00 52.86 53.17 2kiv s ASN 27 Cb 0.11 -0.92 1.46 0.00 -1.45 0.00 0.00 41.25 40.45 2kiv s ASN 27 CO 0.86 -0.07 1.91 0.58 -3.72 0.00 0.00 177.10 176.66 2kiv h VAL 28 N 6.10 0.55 -0.16 -5.21 2.07 -1.90 0.26 116.25 117.96 2kiv h VAL 28 Ca -0.32 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.25 2kiv h VAL 28 Cb 1.14 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2kiv h VAL 28 CO 0.45 0.00 0.18 1.56 0.02 0.00 0.00 177.57 179.78 2kiv h GLN 29 N 0.00 0.00 -0.47 1.57 1.08 -1.95 -0.77 115.11 114.57 2kiv h GLN 29 Ca 0.34 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.68 2kiv h GLN 29 Cb 1.45 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.86 2kiv h GLN 29 CO -0.00 0.00 0.34 0.00 -0.95 0.00 0.00 178.83 178.22 2kiv h ALA 30 N 1.78 2.45 -0.49 3.87 0.00 -0.88 0.14 119.26 126.13 2kiv h ALA 30 Ca 0.08 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 2kiv h ALA 30 Cb 0.44 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.16 2kiv h ALA 30 CO -0.00 -0.59 0.11 0.00 0.00 0.00 0.00 179.25 178.77 2kiv n MET 31 N -4.39 2.63 0.22 0.00 -0.00 -0.29 -4.43 117.12 110.85 2kiv n MET 31 Ca 0.08 -3.05 -0.09 0.00 -0.00 0.00 0.00 57.70 54.65 2kiv n MET 31 Cb 0.55 -1.96 -0.04 0.00 -0.00 0.00 0.00 33.22 31.77 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 1.61 -0.61 1.58 3.17 0.00 -0.77 -3.14 103.07 104.91 2kiv h GLY 32 Ca 0.22 0.23 -0.21 0.00 0.00 0.00 0.00 47.33 47.56 2kiv h GLY 32 CO 0.50 -0.22 -0.89 1.76 0.00 0.00 0.00 176.54 177.70 2kiv h SER 33 N -0.75 0.49 -4.03 0.19 0.02 -1.84 -3.40 113.55 104.24 2kiv h SER 33 Ca -0.06 -0.38 -0.66 0.00 -0.84 0.00 0.00 61.79 59.85 2kiv h SER 33 Cb 0.45 -0.15 -0.39 0.00 0.14 0.00 0.00 62.40 62.44 2kiv h SER 33 CO 0.10 1.17 -0.62 0.21 -1.14 0.00 0.00 176.83 176.54 2kiv s ASN 34 N -7.04 4.67 0.55 3.07 3.84 -1.25 -5.10 114.94 113.68 2kiv s ASN 34 Ca -0.05 -2.61 -0.21 0.00 0.21 0.00 0.00 52.86 50.20 2kiv s ASN 34 Cb 0.09 -1.68 -0.06 0.00 -0.55 0.00 0.00 41.25 39.06 2kiv s ASN 34 CO 0.86 -0.33 1.12 1.33 -2.79 0.00 0.00 177.10 177.29 2kiv n VAL 35 N 3.68 3.57 -1.07 -5.21 0.24 -1.19 -4.39 118.33 113.97 2kiv n VAL 35 Ca 0.04 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.34 61.51 2kiv n VAL 35 Cb 0.37 -1.34 0.12 0.00 -1.47 0.00 0.00 33.84 31.52 2kiv n VAL 35 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 2kiv n MET 36 N -0.84 0.11 -4.36 7.34 1.56 -1.26 -5.04 117.12 114.63 2kiv n MET 36 Ca 0.12 0.11 -0.18 0.00 -0.27 0.00 0.00 57.70 57.47 2kiv n MET 36 Cb 0.45 -2.26 -0.10 0.00 2.15 0.00 0.00 33.22 33.46 2kiv n MET 36 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 2kiv s GLU 37 N -3.84 1.41 0.28 2.12 0.41 -1.26 -4.89 118.70 112.92 2kiv s GLU 37 Ca 0.70 -1.72 0.01 0.00 -0.41 0.00 0.00 54.97 53.55 2kiv s GLU 37 Cb -0.29 -0.74 0.56 0.00 -1.78 0.00 0.00 34.13 31.88 2kiv s GLU 37 CO 0.54 -0.08 1.83 0.38 -0.49 0.00 0.00 175.26 177.45 2kiv h ASP 38 N 2.40 0.93 0.15 -0.19 2.03 -1.98 -0.79 116.42 118.97 2kiv h ASP 38 Ca -0.39 0.05 0.01 0.00 -0.73 0.00 0.00 57.03 55.97 2kiv h ASP 38 Cb 1.23 -0.13 -0.05 0.00 -0.83 0.00 0.00 39.33 39.55 2kiv h ASP 38 CO 0.65 0.49 -0.49 1.56 -1.03 0.00 0.00 179.24 180.42 2kiv h GLN 39 N 0.99 -0.72 -0.63 4.15 1.08 -1.98 -0.63 115.11 117.36 2kiv h GLN 39 Ca 0.50 0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.74 2kiv h GLN 39 Cb 0.51 0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 28.07 2kiv h GLN 39 CO -0.27 -0.48 0.35 -0.44 -0.95 0.00 0.00 178.83 177.04 2kiv h ASP 40 N -0.75 0.79 -0.79 1.46 3.32 -1.87 0.27 116.42 118.84 2kiv h ASP 40 Ca -0.00 -0.09 0.16 0.00 0.02 0.00 0.00 57.03 57.11 2kiv h ASP 40 Cb 0.75 -0.20 -0.10 0.00 0.22 0.00 0.00 39.33 40.00 2kiv h ASP 40 CO -0.26 0.65 0.32 0.25 -1.72 0.00 0.00 179.24 178.48 2kiv h LEU 41 N 0.86 0.29 0.00 1.55 5.85 -0.66 0.99 115.31 124.19 2kiv h LEU 41 Ca 0.22 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 59.03 2kiv h LEU 41 Cb 0.04 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2kiv h LEU 41 CO -0.04 0.09 -0.69 0.25 -0.34 0.00 0.00 178.44 177.71 2kiv h LEU 42 N 0.44 0.00 -0.82 2.25 5.85 -0.77 -3.31 115.31 118.95 2kiv h LEU 42 Ca 0.44 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 59.04 2kiv h LEU 42 Cb 0.71 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2kiv h LEU 42 CO -0.43 0.13 -0.46 -0.08 -0.34 0.00 0.00 178.44 177.26 2kiv h GLU 43 N 0.00 0.31 0.00 1.25 4.81 0.18 -3.35 114.58 117.78 2kiv h GLU 43 Ca -0.02 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2kiv h GLU 43 Cb 1.12 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2kiv h GLU 43 CO 0.01 0.71 0.00 -0.89 -0.73 0.00 0.00 179.01 178.11 2kiv n ILE 44 N -3.99 0.00 0.00 2.32 5.41 0.00 -4.96 119.36 118.15 2kiv n ILE 44 Ca -0.02 0.96 0.00 0.00 1.00 0.00 0.00 62.75 64.69 2kiv n ILE 44 Cb 0.52 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.64 2kiv n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kiv n GLY 45 N 0.17 -1.27 2.71 7.39 0.00 -1.26 -5.08 105.19 107.85 2kiv n GLY 45 Ca 0.00 0.53 -0.28 0.00 0.00 0.00 0.00 46.02 46.27 2kiv n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kiv s ILE 46 N 0.00 0.52 1.11 -0.61 1.09 -1.25 -5.09 121.20 116.97 2kiv s ILE 46 Ca 0.00 -0.72 -0.14 0.00 -1.10 0.00 0.00 60.65 58.69 2kiv s ILE 46 Cb 0.00 -1.13 0.20 0.00 -1.06 0.00 0.00 42.46 40.47 2kiv s ILE 46 CO 0.00 -0.34 0.69 0.18 -0.10 0.00 0.00 174.94 175.37 2kiv n LEU 47 N 5.04 -1.01 -4.94 2.97 4.77 -1.26 -4.61 117.00 117.95 2kiv n LEU 47 Ca -0.07 -0.04 -0.25 0.00 -0.03 0.00 0.00 56.01 55.62 2kiv n LEU 47 Cb 0.46 -1.20 0.08 0.00 -2.33 0.00 0.00 43.42 40.43 2kiv n LEU 47 CO 0.12 -3.14 0.59 0.54 -1.33 0.00 0.00 177.39 174.18 2kiv s ASN 48 N -2.24 4.68 -1.46 -1.43 4.22 -1.26 -4.26 114.94 113.19 2kiv s ASN 48 Ca 0.64 0.27 -0.08 0.00 -2.14 0.00 0.00 52.86 51.54 2kiv s ASN 48 Cb -0.21 -0.87 0.03 0.00 1.28 0.00 0.00 41.25 41.48 2kiv s ASN 48 CO 0.65 -1.66 0.88 -0.24 -2.04 0.00 0.00 177.10 174.68 2kiv n SER 49 N -2.90 -5.76 0.00 3.54 2.88 -1.26 -4.82 113.62 105.30 2kiv n SER 49 Ca 0.09 -0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 2kiv n SER 49 Cb 0.60 -4.60 0.00 0.00 -0.75 0.00 0.00 64.21 59.46 2kiv n SER 49 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kiv n GLY 50 N -1.70 -0.01 0.20 0.46 0.00 -1.26 -4.99 105.19 97.89 2kiv n GLY 50 Ca -0.03 0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.22 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 0.11 1.61 -0.00 -1.26 -4.62 115.22 111.06 2kiv n HIS 51 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 2kiv n HIS 51 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.90 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 0.97 -0.67 -0.93 1.57 3.08 -1.89 -0.59 114.38 115.92 2kiv h ARG 52 Ca 0.00 0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.18 2kiv h ARG 52 Cb 0.44 0.15 -0.07 0.00 0.08 0.00 0.00 29.97 30.57 2kiv h ARG 52 CO 0.00 -0.45 0.58 0.37 -1.07 0.00 0.00 179.97 179.40 2kiv h GLN 53 N -0.70 0.96 0.08 0.04 4.15 -1.94 -0.07 115.11 117.62 2kiv h GLN 53 Ca 0.01 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 2kiv h GLN 53 Cb 0.72 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.20 2kiv h GLN 53 CO -0.28 0.63 -0.06 0.00 -1.93 0.00 0.00 178.83 177.19 2kiv h ARG 54 N 0.98 -0.14 -0.63 1.69 2.47 -1.60 0.15 114.38 117.31 2kiv h ARG 54 Ca 0.43 0.01 0.12 0.00 -1.26 0.00 0.00 59.98 59.28 2kiv h ARG 54 Cb 0.31 0.03 -0.09 0.00 -1.65 0.00 0.00 29.97 28.57 2kiv h ARG 54 CO -0.22 -0.09 0.13 0.82 0.56 0.00 0.00 179.97 181.17 2kiv h ILE 55 N -0.14 0.61 0.20 2.04 2.04 -1.05 -0.72 117.51 120.49 2kiv h ILE 55 Ca -0.01 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.77 2kiv h ILE 55 Cb 0.12 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 2kiv h ILE 55 CO 0.00 0.05 -0.39 -0.07 0.00 0.00 0.00 178.15 177.74 2kiv h LEU 56 N 0.25 -1.10 -1.11 1.44 3.38 -0.92 0.25 115.31 117.51 2kiv h LEU 56 Ca 0.33 0.12 0.12 0.00 0.09 0.00 0.00 57.88 58.54 2kiv h LEU 56 Cb 0.51 0.40 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 2kiv h LEU 56 CO -0.43 -0.48 0.61 -0.61 0.09 0.00 0.00 178.44 177.61 2kiv h GLN 57 N -0.67 0.87 -0.06 1.13 4.15 -0.06 -0.67 115.11 119.80 2kiv h GLN 57 Ca 0.01 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 2kiv h GLN 57 Cb 0.67 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.16 2kiv h GLN 57 CO -0.18 0.58 -0.00 0.00 -1.93 0.00 0.00 178.83 177.30 2kiv h ALA 58 N 1.56 0.08 -0.94 3.38 0.00 -0.33 0.26 119.26 123.27 2kiv h ALA 58 Ca 0.47 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.26 2kiv h ALA 58 Cb 0.55 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 2kiv h ALA 58 CO -0.24 -0.24 0.61 0.82 0.00 0.00 0.00 179.25 180.20 2kiv h ILE 59 N -0.19 1.12 0.00 0.00 1.08 0.20 0.30 117.51 120.02 2kiv h ILE 59 Ca 0.02 -0.39 -0.14 0.00 -0.39 0.00 0.00 64.86 63.95 2kiv h ILE 59 Cb 0.34 -0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 33.96 2kiv h ILE 59 CO 0.00 0.21 -0.69 -0.61 -0.69 0.00 0.00 178.15 176.37 2kiv h GLN 60 N 1.13 0.00 0.00 2.37 4.15 -1.06 -3.18 115.11 118.52 2kiv h GLN 60 Ca 0.39 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.80 2kiv h GLN 60 Cb 0.10 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 2kiv h GLN 60 CO -0.13 0.69 -0.17 1.25 -1.93 0.00 0.00 178.83 178.54 2kiv h LEU 61 N 0.00 0.00 -8.43 -2.39 5.85 0.55 -3.45 115.31 107.44 2kiv h LEU 61 Ca -0.01 0.00 -0.65 0.00 0.84 0.00 0.00 57.88 58.07 2kiv h LEU 61 Cb 1.49 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.49 2kiv h LEU 61 CO 0.09 0.05 1.46 0.18 -0.34 0.00 0.00 178.44 179.88 2kiv n LEU 62 N -3.06 1.81 -4.53 2.25 4.77 0.97 -4.79 117.00 114.42 2kiv n LEU 62 Ca 0.03 0.34 -0.29 0.00 -0.03 0.00 0.00 56.01 56.06 2kiv n LEU 62 Cb 0.55 -1.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.36 2kiv n LEU 62 CO 0.35 -0.81 1.54 -0.81 -1.33 0.00 0.00 177.39 176.33 2kiv n PRO 63 N 8.23 1.60 -4.68 3.23 -0.04 -1.26 -4.89 135.00 137.18 2kiv n PRO 63 Ca 0.45 -2.44 -0.23 0.00 -0.04 0.00 0.00 63.50 61.23 2kiv n PRO 63 Cb 0.21 -3.69 -0.16 0.00 -0.04 0.00 0.00 33.50 29.82 2kiv n PRO 63 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2kiv s LYS 64 N 6.39 1.36 0.41 0.54 2.20 -1.26 -5.15 119.74 124.22 2kiv s LYS 64 Ca 0.68 -0.51 0.04 0.00 -0.36 0.00 0.00 55.97 55.82 2kiv s LYS 64 Cb 0.00 -1.25 -0.05 0.00 -1.51 0.00 0.00 37.83 35.02 2kiv s LYS 64 CO 0.14 0.25 0.04 -1.64 -0.36 0.00 0.00 175.35 173.77 2kiv s MET 65 N -0.10 1.92 -0.69 4.03 -1.94 -1.26 -5.09 119.30 116.17 2kiv s MET 65 Ca 0.01 -2.13 0.05 0.00 -1.71 0.00 0.00 55.69 51.90 2kiv s MET 65 Cb -0.08 -1.28 0.27 0.00 2.01 0.00 0.00 34.83 35.74 2kiv s MET 65 CO 0.01 -0.21 0.87 -2.13 -0.01 0.00 0.00 175.02 173.54 2kiv n ARG 66 N -0.95 2.87 0.01 2.03 0.00 -1.26 -4.87 116.66 114.50 2kiv n ARG 66 Ca -0.08 -4.68 -0.07 0.00 -0.00 0.00 0.00 57.85 53.02 2kiv n ARG 66 Cb 0.67 -2.29 0.12 0.00 0.00 0.00 0.00 32.46 30.95 2kiv n ARG 66 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2kiv h PRO 67 N 4.20 0.49 -3.33 -0.14 0.13 -2.05 -3.44 132.00 127.86 2kiv h PRO 67 Ca 0.20 -0.26 -0.18 0.00 -0.87 0.00 0.00 66.00 64.88 2kiv h PRO 67 Cb 0.63 0.01 -0.26 0.00 0.13 0.00 0.00 31.00 31.51 2kiv h PRO 67 CO 0.90 0.84 -0.52 0.96 -0.23 0.00 0.00 178.00 179.95 2kiv s ILE 68 N -4.16 0.00 -0.23 -3.56 -4.36 -1.26 -5.16 121.20 102.47 2kiv s ILE 68 Ca -0.07 -0.01 -0.27 0.00 -0.26 0.00 0.00 60.65 60.05 2kiv s ILE 68 Cb 0.12 -0.24 0.11 0.00 1.25 0.00 0.00 42.46 43.70 2kiv s ILE 68 CO 0.82 -0.01 0.95 -0.83 0.24 0.00 0.00 174.94 176.11 2kiv s GLY 69 N 0.07 -0.27 -0.02 6.27 0.00 -1.26 -5.13 107.32 106.98 2kiv s GLY 69 Ca -0.00 2.31 -0.30 0.00 0.00 0.00 0.00 44.72 46.73 2kiv s GLY 69 CO 0.00 1.55 1.47 -2.38 0.00 0.00 0.00 173.10 173.74 2kiv s HIS 70 N -0.20 2.63 -0.10 1.90 -3.43 -1.26 -4.88 115.29 109.95 2kiv s HIS 70 Ca 0.00 0.65 0.06 0.00 -0.80 0.00 0.00 55.06 54.97 2kiv s HIS 70 Cb -0.03 -3.73 -0.10 0.00 -1.43 0.00 0.00 32.58 27.28 2kiv s HIS 70 CO -0.02 -2.83 -0.01 -0.25 -2.00 0.00 0.00 174.74 169.63 2kiv n ASP 71 N 5.86 2.82 -4.35 7.38 8.00 -1.26 -5.04 116.55 129.97 2kiv n ASP 71 Ca 0.14 -0.02 -0.30 0.00 0.71 0.00 0.00 54.79 55.33 2kiv n ASP 71 Cb 0.43 0.46 0.16 0.00 -0.02 0.00 0.00 41.12 42.15 2kiv n ASP 71 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2kiv s GLY 72 N -4.44 1.69 -0.06 0.44 0.00 -1.26 -5.09 107.32 98.60 2kiv s GLY 72 Ca -0.08 -0.96 -0.00 0.00 0.00 0.00 0.00 44.72 43.68 2kiv s GLY 72 CO 0.35 -0.27 -0.03 0.00 0.00 0.00 0.00 173.10 173.15 2kiv s ALA 73 N -3.64 0.74 0.29 3.20 0.00 -1.26 -5.15 121.76 115.94 2kiv s ALA 73 Ca 0.70 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.57 2kiv s ALA 73 Cb -0.08 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 2kiv s ALA 73 CO 0.52 -0.24 0.43 -1.01 0.00 0.00 0.00 175.76 175.47 2kiv s HIS 74 N 1.44 3.42 -1.13 0.00 3.76 -1.26 -5.00 115.29 116.52 2kiv s HIS 74 Ca -0.03 0.07 -0.23 0.00 -0.15 0.00 0.00 55.06 54.72 2kiv s HIS 74 Cb -0.13 -1.73 -0.10 0.00 1.11 0.00 0.00 32.58 31.73 2kiv s HIS 74 CO -0.03 0.28 1.93 -0.35 -0.85 0.00 0.00 174.74 175.72 2kiv n PRO 75 N -1.56 1.58 -4.43 8.40 -0.04 -1.26 -4.90 135.00 132.78 2kiv n PRO 75 Ca -0.07 -2.38 -0.24 0.00 -0.04 0.00 0.00 63.50 60.77 2kiv n PRO 75 Cb 0.57 -3.62 -0.09 0.00 -0.04 0.00 0.00 33.50 30.31 2kiv n PRO 75 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2kiv s THR 76 N 10.29 2.68 0.43 0.52 -4.23 -1.26 -5.15 115.64 118.92 2kiv s THR 76 Ca 0.67 -2.30 0.08 0.00 -1.18 0.00 0.00 61.69 58.96 2kiv s THR 76 Cb 0.01 -2.43 0.01 0.00 1.34 0.00 0.00 72.50 71.44 2kiv s THR 76 CO 0.14 -0.39 0.59 -0.44 -0.54 0.00 0.00 174.62 173.98 2kiv s SER 77 N -3.55 5.62 0.39 3.99 0.01 -1.26 -4.49 113.70 114.41 2kiv s SER 77 Ca 0.30 -0.40 0.15 0.00 1.31 0.00 0.00 55.95 57.31 2kiv s SER 77 Cb -0.05 -0.65 1.01 0.00 0.21 0.00 0.00 66.02 66.55 2kiv s SER 77 CO 0.16 -0.80 1.83 0.58 0.41 0.00 0.00 173.24 175.41 2kiv h VAL 78 N 0.59 0.67 0.42 3.43 2.07 -1.80 -0.29 116.25 121.33 2kiv h VAL 78 Ca -0.40 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 2kiv h VAL 78 Cb 1.28 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2kiv h VAL 78 CO 0.45 0.09 -0.20 0.00 0.02 0.00 0.00 177.57 177.93 2kiv h ALA 79 N 1.61 -0.56 -0.90 1.67 0.00 -1.92 -1.17 119.26 118.00 2kiv h ALA 79 Ca 0.51 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.47 2kiv h ALA 79 Cb 1.16 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 2kiv h ALA 79 CO -0.23 -0.56 0.61 0.93 0.00 0.00 0.00 179.25 179.99 2kiv h GLU 80 N -1.06 0.30 0.33 0.00 4.39 -1.80 0.19 114.58 116.92 2kiv h GLU 80 Ca -0.06 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2kiv h GLU 80 Cb 0.52 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2kiv h GLU 80 CO 0.09 0.20 -0.16 2.35 -1.16 0.00 0.00 179.01 180.34 2kiv h TRP 81 N 0.31 -0.41 -0.00 4.33 7.01 -1.06 -3.20 115.95 122.93 2kiv h TRP 81 Ca 0.46 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.45 2kiv h TRP 81 Cb 1.30 0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 28.49 2kiv h TRP 81 CO -0.00 -0.18 0.10 -0.07 -2.79 0.00 0.00 178.44 175.50 2kiv h LEU 82 N -1.08 0.00 -1.87 0.65 3.38 -0.64 -1.57 115.31 114.18 2kiv h LEU 82 Ca -0.04 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.11 2kiv h LEU 82 Cb 0.41 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 2kiv h LEU 82 CO 0.07 0.00 0.49 -0.78 0.09 0.00 0.00 178.44 178.31 2kiv h ASP 83 N 0.00 0.11 0.85 -0.43 3.58 -0.64 0.33 116.42 120.23 2kiv h ASP 83 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2kiv h ASP 83 Cb 0.21 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2kiv h ASP 83 CO -0.00 0.05 -0.87 -0.24 -2.88 0.00 0.00 179.24 175.31 2kiv n SER 84 N -4.38 0.75 -1.30 2.28 2.88 -0.59 -3.79 113.62 109.47 2kiv n SER 84 Ca 0.14 0.16 0.05 0.00 -1.33 0.00 0.00 58.87 57.89 2kiv n SER 84 Cb 0.68 0.40 0.25 0.00 -0.75 0.00 0.00 64.21 64.79 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 -2.35 1.57 -4.18 2.46 2.08 0.11 -4.90 119.36 114.16 2kiv n ILE 85 Ca 0.02 -0.84 -0.35 0.00 0.56 0.00 0.00 62.75 62.14 2kiv n ILE 85 Cb 0.49 -0.27 -0.06 0.00 -0.75 0.00 0.00 39.64 39.05 2kiv n ILE 85 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 2kiv n GLU 86 N 0.45 -1.33 -2.48 0.38 0.28 -1.03 -4.79 120.64 112.11 2kiv n GLU 86 Ca 0.17 0.15 -0.16 0.00 -0.16 0.00 0.00 57.16 57.16 2kiv n GLU 86 Cb 0.78 -4.73 0.02 0.00 1.43 0.00 0.00 31.44 28.94 2kiv n GLU 86 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2kiv n LEU 87 N -3.84 3.32 -0.32 -1.84 4.77 -1.13 -4.88 117.00 113.08 2kiv n LEU 87 Ca 0.09 -4.26 0.09 0.00 -0.03 0.00 0.00 56.01 51.91 2kiv n LEU 87 Cb 0.46 -0.01 0.30 0.00 -2.33 0.00 0.00 43.42 41.84 2kiv n LEU 87 CO 0.80 1.78 1.23 1.23 -1.33 0.00 0.00 177.39 181.10 2kiv h GLY 88 N 2.58 1.45 0.21 -0.72 0.00 -1.87 -1.59 103.07 103.13 2kiv h GLY 88 Ca 0.13 -0.37 0.12 0.00 0.00 0.00 0.00 47.33 47.21 2kiv h GLY 88 CO 0.60 0.12 0.24 -0.55 0.00 0.00 0.00 176.54 176.95 2kiv h ASP 89 N 0.85 0.19 -0.64 0.19 3.32 -1.96 0.15 116.42 118.52 2kiv h ASP 89 Ca 0.48 0.10 0.17 0.00 0.02 0.00 0.00 57.03 57.80 2kiv h ASP 89 Cb 0.60 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 2kiv h ASP 89 CO -0.24 0.09 0.46 1.88 -1.72 0.00 0.00 179.24 179.70 2kiv h TYR 90 N 0.39 0.09 -1.07 4.55 0.05 -1.69 -0.65 116.97 118.63 2kiv h TYR 90 Ca 0.36 0.00 0.29 0.00 0.05 0.00 0.00 58.73 59.44 2kiv h TYR 90 Cb 0.53 -0.03 -0.08 0.00 1.01 0.00 0.00 36.73 38.16 2kiv h TYR 90 CO -0.19 0.03 0.72 1.15 -1.05 0.00 0.00 178.16 178.82 2kiv h THR 91 N 0.07 0.49 0.34 -2.88 2.02 -0.73 0.12 112.91 112.34 2kiv h THR 91 Ca 0.31 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 2kiv h THR 91 Cb 1.13 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2kiv h THR 91 CO -0.03 0.05 -0.16 0.50 0.37 0.00 0.00 175.52 176.25 2kiv h LYS 92 N 0.27 -0.44 -0.22 6.66 1.63 -1.24 -0.65 116.57 122.58 2kiv h LYS 92 Ca 0.58 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.40 2kiv h LYS 92 Cb 1.73 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 33.45 2kiv h LYS 92 CO -0.21 -0.16 0.10 0.00 -3.45 0.00 0.00 179.45 175.73 2kiv h ALA 93 N -0.10 0.28 -0.52 5.00 0.00 -1.26 -1.11 119.26 121.56 2kiv h ALA 93 Ca -0.05 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.83 2kiv h ALA 93 Cb 0.47 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 2kiv h ALA 93 CO 0.08 -0.16 0.23 0.74 0.00 0.00 0.00 179.25 180.14 2kiv h PHE 94 N 0.22 0.41 0.65 0.00 0.04 -0.86 0.29 116.94 117.69 2kiv h PHE 94 Ca 0.07 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 2kiv h PHE 94 Cb 0.13 -0.11 0.01 0.00 2.20 0.00 0.00 35.95 38.18 2kiv h PHE 94 CO -0.02 0.17 -0.31 -0.07 -0.60 0.00 0.00 178.31 177.47 2kiv h LEU 95 N 0.44 -0.74 -1.95 1.54 3.38 -0.95 0.27 115.31 117.30 2kiv h LEU 95 Ca 0.24 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.43 2kiv h LEU 95 Cb 0.21 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 2kiv h LEU 95 CO -0.21 -0.47 0.49 0.16 0.09 0.00 0.00 178.44 178.50 2kiv h ILE 96 N -1.00 0.68 -0.11 1.22 3.07 -1.12 0.23 117.51 120.47 2kiv h ILE 96 Ca -0.09 -0.02 -0.11 0.00 1.55 0.00 0.00 64.86 66.19 2kiv h ILE 96 Cb 0.67 0.63 -0.01 0.00 -0.27 0.00 0.00 36.82 37.84 2kiv h ILE 96 CO 0.15 0.01 -0.43 0.78 -1.05 0.00 0.00 178.15 177.61 2kiv h ASN 97 N 0.05 0.27 0.00 2.16 -0.26 -0.24 -3.47 115.58 114.08 2kiv h ASN 97 Ca 0.33 -0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.95 2kiv h ASN 97 Cb 1.24 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 38.43 2kiv h ASN 97 CO -0.02 0.67 0.00 0.61 -1.06 0.00 0.00 177.43 177.63 2kiv n GLY 98 N -0.14 1.53 3.50 2.83 0.00 0.81 -5.08 105.19 108.65 2kiv n GLY 98 Ca -0.02 0.00 -0.42 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 -2.00 2.53 -0.18 1.61 2.02 0.90 -4.83 117.35 117.41 2kiv s TYR 99 Ca 0.00 -0.45 -0.15 0.00 -0.37 0.00 0.00 57.07 56.10 2kiv s TYR 99 Cb 0.00 -4.48 -0.07 0.00 -0.40 0.00 0.00 41.96 37.02 2kiv s TYR 99 CO 0.00 -1.85 -0.25 0.25 -1.57 0.00 0.00 175.55 172.13 2kiv n THR 100 N 6.19 1.48 -4.08 -0.71 -2.24 -1.26 -4.31 114.28 109.34 2kiv n THR 100 Ca 0.05 0.10 -0.32 0.00 -2.27 0.00 0.00 64.05 61.62 2kiv n THR 100 Cb 0.48 -2.29 -0.07 0.00 -2.10 0.00 0.00 70.33 66.35 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 -6.08 5.59 0.46 3.42 0.01 -1.26 -3.13 113.70 112.71 2kiv s SER 101 Ca -0.25 0.06 0.22 0.00 1.31 0.00 0.00 55.95 57.29 2kiv s SER 101 Cb 0.05 -1.55 1.22 0.00 0.21 0.00 0.00 66.02 65.95 2kiv s SER 101 CO 0.37 0.22 1.87 0.00 0.41 0.00 0.00 173.24 176.11 2kiv h MET 102 N 3.66 0.26 -0.91 12.44 -0.00 -1.92 0.12 114.93 128.57 2kiv h MET 102 Ca -0.48 -0.02 0.17 0.00 -0.00 0.00 0.00 59.70 59.38 2kiv h MET 102 Cb 1.17 -0.06 -0.10 0.00 -0.00 0.00 0.00 31.60 32.61 2kiv h MET 102 CO 0.64 0.17 0.49 -0.44 -0.00 0.00 0.00 176.91 177.77 2kiv h ASP 103 N 0.26 0.59 -0.14 -0.10 5.19 -1.96 0.26 116.42 120.52 2kiv h ASP 103 Ca 0.46 0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.97 2kiv h ASP 103 Cb 1.36 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.87 2kiv h ASP 103 CO -0.13 0.21 0.09 -0.07 -3.12 0.00 0.00 179.24 176.22 2kiv h LEU 104 N 0.64 0.18 -2.05 1.55 3.38 -1.37 -0.20 115.31 117.43 2kiv h LEU 104 Ca 0.52 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2kiv h LEU 104 Cb 0.79 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2kiv h LEU 104 CO -0.39 0.14 0.00 -0.07 0.09 0.00 0.00 178.44 178.20 2kiv h LEU 105 N 0.21 0.00 -1.21 1.67 3.38 -0.55 -0.61 115.31 118.19 2kiv h LEU 105 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2kiv h LEU 105 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2kiv h LEU 105 CO -0.01 0.00 -0.14 0.29 0.09 0.00 0.00 178.44 178.67 2kiv n LYS 106 N -2.95 1.65 -0.97 1.13 5.02 -0.09 -4.03 118.16 117.92 2kiv n LYS 106 Ca -0.01 -1.21 -0.04 0.00 -2.02 0.00 0.00 58.31 55.03 2kiv n LYS 106 Cb 0.18 -1.47 0.31 0.00 -0.02 0.00 0.00 35.03 34.02 2kiv n LYS 106 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kiv n LYS 107 N 0.39 3.80 -4.08 1.97 5.02 -0.24 -4.92 118.16 120.11 2kiv n LYS 107 Ca 0.14 -2.94 -0.11 0.00 -2.02 0.00 0.00 58.31 53.37 2kiv n LYS 107 Cb 0.46 -2.19 -0.11 0.00 -0.02 0.00 0.00 35.03 33.17 2kiv n LYS 107 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2kiv s ILE 108 N -2.84 0.50 0.62 -0.18 -4.36 -1.26 -5.09 121.20 108.59 2kiv s ILE 108 Ca 0.53 -1.32 0.08 0.00 -0.26 0.00 0.00 60.65 59.68 2kiv s ILE 108 Cb 0.42 -0.89 0.10 0.00 1.25 0.00 0.00 42.46 43.34 2kiv s ILE 108 CO 0.13 -0.56 0.85 0.00 0.24 0.00 0.00 174.94 175.60 2kiv s ALA 109 N -2.11 4.54 0.04 2.27 0.00 -1.26 -4.90 121.76 120.34 2kiv s ALA 109 Ca -0.04 -2.12 -0.12 0.00 0.00 0.00 0.00 51.96 49.68 2kiv s ALA 109 Cb -0.05 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.48 2kiv s ALA 109 CO -0.02 -1.03 1.19 0.93 0.00 0.00 0.00 175.76 176.83 2kiv h GLU 110 N 0.00 -0.24 -0.81 0.00 4.39 -2.00 -0.02 114.58 115.89 2kiv h GLU 110 Ca -0.30 0.02 0.15 0.00 0.34 0.00 0.00 59.36 59.56 2kiv h GLU 110 Cb 1.28 0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 29.89 2kiv h GLU 110 CO 0.40 -0.16 0.38 -0.24 -1.16 0.00 0.00 179.01 178.23 2kiv h VAL 111 N -0.25 0.69 -0.99 3.13 3.04 -1.97 0.84 116.25 120.74 2kiv h VAL 111 Ca -0.00 -0.19 0.11 0.00 -1.01 0.00 0.00 66.70 65.61 2kiv h VAL 111 Cb 0.26 0.10 -0.08 0.00 -2.01 0.00 0.00 31.29 29.56 2kiv h VAL 111 CO -0.10 0.10 0.63 -0.33 -1.01 0.00 0.00 177.57 176.86 2kiv h GLU 112 N 0.54 0.97 0.08 4.17 5.08 -1.81 0.35 114.58 123.96 2kiv h GLU 112 Ca 0.45 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.75 2kiv h GLU 112 Cb 0.67 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2kiv h GLU 112 CO -0.39 0.64 -0.04 1.25 -1.00 0.00 0.00 179.01 179.48 2kiv h LEU 113 N 1.00 -0.09 -2.33 1.33 5.85 0.10 0.31 115.31 121.49 2kiv h LEU 113 Ca 0.48 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2kiv h LEU 113 Cb 0.44 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2kiv h LEU 113 CO -0.24 0.58 0.00 0.40 -0.34 0.00 0.00 178.44 178.85 2kiv h ILE 114 N -0.88 0.00 0.00 4.05 2.04 -0.69 0.12 117.51 122.15 2kiv h ILE 114 Ca -0.01 -0.02 -0.15 0.00 1.00 0.00 0.00 64.86 65.68 2kiv h ILE 114 Cb 0.60 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2kiv h ILE 114 CO 0.02 0.00 -1.37 -3.20 0.00 0.00 0.00 178.15 173.59 2kiv n ASN 115 N -2.75 1.91 0.33 1.72 5.15 0.12 -3.07 115.26 118.67 2kiv n ASN 115 Ca -0.02 0.40 -0.17 0.00 -0.60 0.00 0.00 54.58 54.18 2kiv n ASN 115 Cb 0.06 -0.81 -0.09 0.00 -0.53 0.00 0.00 39.78 38.42 2kiv n ASN 115 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2kiv h VAL 116 N -1.00 0.42 0.00 3.44 2.07 -0.27 -2.81 116.25 118.10 2kiv h VAL 116 Ca -0.23 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2kiv h VAL 116 Cb 1.12 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2kiv h VAL 116 CO -0.14 0.01 0.00 -0.07 0.02 0.00 0.00 177.57 177.39 2kiv h LEU 117 N -0.82 0.00 -1.37 2.57 -0.00 -0.92 -3.47 115.31 111.30 2kiv h LEU 117 Ca -0.08 0.00 -0.45 0.00 -0.00 0.00 0.00 57.88 57.35 2kiv h LEU 117 Cb 0.62 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.28 2kiv h LEU 117 CO 0.13 0.00 -0.79 0.29 -0.00 0.00 0.00 178.44 178.07 2kiv n LYS 118 N -2.61 -5.23 0.00 1.13 5.02 -1.06 -4.94 118.16 110.48 2kiv n LYS 118 Ca 0.04 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 2kiv n LYS 118 Cb 0.41 -5.33 0.00 0.00 -0.02 0.00 0.00 35.03 30.10 2kiv n LYS 118 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2kiv n ILE 119 N -4.50 0.00 -3.05 -0.18 5.41 -1.23 -4.95 119.36 110.87 2kiv n ILE 119 Ca -0.12 0.48 -0.22 0.00 1.00 0.00 0.00 62.75 63.89 2kiv n ILE 119 Cb 0.60 -1.45 0.02 0.00 -0.71 0.00 0.00 39.64 38.10 2kiv n ILE 119 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2kiv n ASN 120 N -1.98 -5.53 -4.06 4.38 5.15 -1.26 -4.98 115.26 106.98 2kiv n ASN 120 Ca 0.00 -0.28 -0.24 0.00 -0.60 0.00 0.00 54.58 53.47 2kiv n ASN 120 Cb 0.00 -4.49 -0.16 0.00 -0.53 0.00 0.00 39.78 34.60 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 -6.58 1.81 -0.00 1.20 2.96 -1.26 -5.05 118.68 111.75 2kiv s LEU 121 Ca 0.30 -0.28 -0.25 0.00 -0.22 0.00 0.00 54.13 53.68 2kiv s LEU 121 Cb -0.14 -0.78 -0.19 0.00 0.50 0.00 0.00 46.19 45.59 2kiv s LEU 121 CO 0.37 0.09 1.31 0.40 -1.32 0.00 0.00 176.35 177.21 2kiv h ILE 122 N 5.45 1.20 -0.45 6.68 2.04 -1.92 -0.35 117.51 130.16 2kiv h ILE 122 Ca -0.33 -0.90 0.07 0.00 1.00 0.00 0.00 64.86 64.71 2kiv h ILE 122 Cb 1.17 1.79 -0.06 0.00 -0.74 0.00 0.00 36.82 38.98 2kiv h ILE 122 CO 0.48 0.22 0.09 1.23 0.00 0.00 0.00 178.15 180.17 2kiv h GLY 123 N -0.47 0.54 0.60 5.37 0.00 -1.06 0.32 103.07 108.37 2kiv h GLY 123 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 2kiv h GLY 123 CO 0.01 -0.06 -0.29 0.45 0.00 0.00 0.00 176.54 176.66 2kiv h HIS 124 N 0.22 -0.75 -0.63 5.60 3.86 -1.79 -1.43 115.15 120.23 2kiv h HIS 124 Ca 0.22 -0.02 0.18 0.00 -1.16 0.00 0.00 60.37 59.60 2kiv h HIS 124 Cb 0.29 0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.98 2kiv h HIS 124 CO -0.22 -0.46 0.54 0.07 0.86 0.00 0.00 177.93 178.72 2kiv h ARG 125 N -1.21 0.00 0.22 2.45 -0.00 -0.98 0.93 114.38 115.79 2kiv h ARG 125 Ca -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.89 2kiv h ARG 125 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.59 2kiv h ARG 125 CO 0.14 0.00 -0.11 -0.22 -0.00 0.00 0.00 179.97 179.78 2kiv h LYS 126 N 0.00 -0.29 -0.75 0.08 1.63 -0.28 -0.70 116.57 116.26 2kiv h LYS 126 Ca 0.30 0.02 0.14 0.00 -0.85 0.00 0.00 60.65 60.25 2kiv h LYS 126 Cb 1.38 0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 33.02 2kiv h LYS 126 CO -0.00 -0.19 0.50 0.00 -3.45 0.00 0.00 179.45 176.31 2kiv h ARG 127 N -0.97 0.46 0.09 1.90 3.08 -0.66 0.32 114.38 118.61 2kiv h ARG 127 Ca -0.03 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2kiv h ARG 127 Cb 0.23 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2kiv h ARG 127 CO 0.05 0.31 -0.05 0.82 -1.07 0.00 0.00 179.97 180.03 2kiv h ILE 128 N 0.48 1.09 -0.48 2.04 2.04 -0.92 -0.86 117.51 120.89 2kiv h ILE 128 Ca 0.37 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.89 2kiv h ILE 128 Cb 0.75 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 2kiv h ILE 128 CO -0.12 0.29 0.31 -0.07 0.00 0.00 0.00 178.15 178.56 2kiv h LEU 129 N -0.82 0.55 0.04 1.44 3.38 -0.63 -0.73 115.31 118.55 2kiv h LEU 129 Ca -0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kiv h LEU 129 Cb 0.58 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2kiv h LEU 129 CO 0.02 0.41 -0.02 0.00 0.09 0.00 0.00 178.44 178.94 2kiv h ALA 130 N 1.69 -0.05 -0.80 1.53 0.00 -0.44 0.11 119.26 121.31 2kiv h ALA 130 Ca 0.18 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2kiv h ALA 130 Cb -0.06 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2kiv h ALA 130 CO -0.04 -0.20 0.47 0.66 0.00 0.00 0.00 179.25 180.15 2kiv h SER 131 N -0.71 0.72 -0.03 0.00 4.64 -0.93 -2.57 113.55 114.66 2kiv h SER 131 Ca -0.00 0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.16 2kiv h SER 131 Cb 0.63 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.62 2kiv h SER 131 CO 0.01 0.45 -0.70 -0.07 -0.87 0.00 0.00 176.83 175.64 2kiv h LEU 132 N 0.85 0.68 0.00 5.97 3.38 -1.20 -3.50 115.31 121.47 2kiv h LEU 132 Ca 0.36 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2kiv h LEU 132 Cb 0.23 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2kiv h LEU 132 CO -0.20 1.30 0.00 0.61 0.09 0.00 0.00 178.44 180.24 2kiv n GLY 133 N 0.96 2.56 3.96 0.83 0.00 0.39 -5.08 105.19 108.80 2kiv n GLY 133 Ca -0.10 -2.03 -0.22 0.00 0.00 0.00 0.00 46.02 43.67 2kiv n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kiv s ASP 134 N 0.00 6.14 0.00 1.61 1.11 -1.26 -4.77 116.67 119.51 2kiv s ASP 134 Ca 0.00 0.21 0.05 0.00 0.18 0.00 0.00 52.55 52.98 2kiv s ASP 134 Cb 0.00 -1.74 0.27 0.00 1.07 0.00 0.00 42.92 42.52 2kiv s ASP 134 CO 0.00 -0.35 0.75 -2.11 1.18 0.00 0.00 175.17 174.64