#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 2.07 -0.05 1.45 2.00 -1.26 -5.14 119.66 118.73 2kiv s GLN 2 Ca 0.00 -1.76 0.02 0.00 -2.00 0.00 0.00 55.36 51.62 2kiv s GLN 2 Cb 0.00 -1.92 0.02 0.00 0.80 0.00 0.00 33.01 31.91 2kiv s GLN 2 CO 0.00 0.14 -0.07 0.95 -0.50 0.00 0.00 175.29 175.80 2kiv s THR 3 N -2.52 0.73 0.31 -0.34 -4.23 -1.26 -4.45 115.64 103.88 2kiv s THR 3 Ca 0.35 -0.25 0.07 0.00 -1.18 0.00 0.00 61.69 60.68 2kiv s THR 3 Cb 0.00 -0.71 0.31 0.00 1.34 0.00 0.00 72.50 73.43 2kiv s THR 3 CO 0.19 0.26 1.78 0.58 -0.54 0.00 0.00 174.62 176.89 2kiv h VAL 4 N 6.03 0.69 -0.31 2.29 2.07 -1.92 -0.78 116.25 124.33 2kiv h VAL 4 Ca -0.36 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2kiv h VAL 4 Cb 1.17 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2kiv h VAL 4 CO 0.48 0.13 0.14 1.23 0.02 0.00 0.00 177.57 179.57 2kiv h GLY 5 N 0.73 0.49 0.83 2.17 0.00 -1.94 0.56 103.07 105.91 2kiv h GLY 5 Ca 0.58 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 2kiv h GLY 5 CO -0.38 0.23 -0.20 -1.61 0.00 0.00 0.00 176.54 174.59 2kiv h GLN 6 N 0.36 -0.54 -0.32 4.80 5.75 -1.63 0.64 115.11 124.18 2kiv h GLN 6 Ca 0.11 0.04 0.05 0.00 -0.15 0.00 0.00 58.65 58.69 2kiv h GLN 6 Cb 0.14 0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.77 2kiv h GLN 6 CO -0.01 -0.27 0.06 2.35 -2.65 0.00 0.00 178.83 178.30 2kiv h TRP 7 N -0.74 0.09 -0.55 3.99 7.01 -1.21 0.10 115.95 124.64 2kiv h TRP 7 Ca -0.06 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 2kiv h TRP 7 Cb 0.52 0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.56 2kiv h TRP 7 CO -0.01 0.01 0.24 1.25 -2.79 0.00 0.00 178.44 177.14 2kiv h LEU 8 N 0.16 0.71 -0.84 0.65 5.85 -0.86 -0.86 115.31 120.12 2kiv h LEU 8 Ca 0.15 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 2kiv h LEU 8 Cb 0.17 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2kiv h LEU 8 CO -0.20 0.62 -0.55 -0.08 -0.34 0.00 0.00 178.44 177.89 2kiv h GLU 9 N 0.78 0.08 -0.05 1.25 4.57 0.06 0.22 114.58 121.49 2kiv h GLU 9 Ca 0.19 -0.05 -0.17 0.00 -1.18 0.00 0.00 59.36 58.15 2kiv h GLU 9 Cb 0.12 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2kiv h GLU 9 CO -0.02 0.61 -0.62 1.03 -1.18 0.00 0.00 179.01 178.83 2kiv h SER 10 N 0.06 0.63 0.82 1.04 0.87 -0.08 -3.29 113.55 113.60 2kiv h SER 10 Ca -0.00 -0.70 -0.20 0.00 -1.23 0.00 0.00 61.79 59.65 2kiv h SER 10 Cb 1.00 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 2kiv h SER 10 CO 0.08 1.24 -0.93 0.16 -0.53 0.00 0.00 176.83 176.85 2kiv h ILE 11 N 0.08 1.61 0.00 2.23 3.07 -1.16 -3.48 117.51 119.85 2kiv h ILE 11 Ca -0.06 -3.01 0.00 0.00 1.55 0.00 0.00 64.86 63.34 2kiv h ILE 11 Cb 1.30 2.66 0.00 0.00 -0.27 0.00 0.00 36.82 40.51 2kiv h ILE 11 CO 0.13 0.86 0.00 0.61 -1.05 0.00 0.00 178.15 178.70 2kiv n GLY 12 N 1.08 3.41 3.18 0.16 0.00 0.77 -4.91 105.19 108.87 2kiv n GLY 12 Ca -0.02 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 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 2.42 -0.72 0.99 2.01 -1.19 -4.43 118.68 117.77 2kiv s LEU 13 Ca 0.00 -0.84 -0.21 0.00 0.01 0.00 0.00 54.13 53.09 2kiv s LEU 13 Cb 0.00 -0.28 -0.16 0.00 0.01 0.00 0.00 46.19 45.76 2kiv s LEU 13 CO 0.00 -0.29 1.91 -0.81 1.01 0.00 0.00 176.35 178.17 2kiv n PRO 14 N 0.45 1.43 0.00 1.29 -0.04 -1.26 -4.10 135.00 132.77 2kiv n PRO 14 Ca -0.15 -1.73 0.00 0.00 -0.04 0.00 0.00 63.50 61.58 2kiv n PRO 14 Cb 0.58 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 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 6.79 3.08 0.00 0.54 1.13 -1.26 -4.68 117.38 122.97 2kiv n GLN 15 Ca 0.48 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.54 2kiv n GLN 15 Cb 0.37 -0.76 0.00 0.00 0.11 0.00 0.00 30.24 29.96 2kiv n GLN 15 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2kiv n TYR 16 N -1.23 0.00 0.00 1.08 4.01 -1.26 -4.78 117.16 114.99 2kiv n TYR 16 Ca 0.00 -0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.63 2kiv n TYR 16 Cb 0.00 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 38.99 2kiv n TYR 16 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2kiv h GLU 17 N 0.00 -0.37 -0.21 -0.72 4.81 -1.85 0.11 114.58 116.34 2kiv h GLU 17 Ca 0.00 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 2kiv h GLU 17 Cb 0.06 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 2kiv h GLU 17 CO 0.00 -0.25 -0.05 -0.97 -0.73 0.00 0.00 179.01 177.01 2kiv h ASN 18 N -0.38 -0.19 -0.08 1.04 -0.73 -1.93 -1.23 115.58 112.08 2kiv h ASN 18 Ca 0.10 0.06 0.04 0.00 1.87 0.00 0.00 56.30 58.37 2kiv h ASN 18 Cb 0.53 0.13 -0.05 0.00 0.27 0.00 0.00 38.32 39.21 2kiv h ASN 18 CO -0.34 -0.07 -0.19 0.45 -0.37 0.00 0.00 177.43 176.91 2kiv h HIS 19 N 0.00 -0.49 0.15 0.67 3.86 -1.74 0.20 115.15 117.80 2kiv h HIS 19 Ca 0.10 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 2kiv h HIS 19 Cb 0.16 0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.81 2kiv h HIS 19 CO -0.23 -0.27 -0.41 -0.07 0.86 0.00 0.00 177.93 177.82 2kiv h LEU 20 N -0.27 -1.19 0.07 2.43 4.07 -0.46 0.34 115.31 120.30 2kiv h LEU 20 Ca 0.08 0.13 0.02 0.00 0.08 0.00 0.00 57.88 58.19 2kiv h LEU 20 Cb 0.38 0.44 -0.04 0.00 1.08 0.00 0.00 40.66 42.53 2kiv h LEU 20 CO -0.23 -0.49 -0.26 0.24 -1.08 0.00 0.00 178.44 176.61 2kiv h MET 21 N -0.66 -0.43 -0.05 1.13 2.86 -0.79 0.43 114.93 117.41 2kiv h MET 21 Ca 0.02 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 2kiv h MET 21 Cb 0.68 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.43 2kiv h MET 21 CO -0.22 -0.29 0.07 0.00 1.06 0.00 0.00 176.91 177.54 2kiv h ALA 22 N 0.31 1.45 -0.35 6.32 0.00 -0.35 0.20 119.26 126.83 2kiv h ALA 22 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kiv h ALA 22 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kiv h ALA 22 CO -0.18 -0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.06 2kiv n ASN 23 N -3.58 2.54 0.00 0.00 4.13 0.12 -4.87 115.26 113.60 2kiv n ASN 23 Ca -0.02 -2.17 0.00 0.00 1.68 0.00 0.00 54.58 54.07 2kiv n ASN 23 Cb 0.16 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 38.02 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 0.83 3.28 2.54 7.41 0.00 0.68 -0.02 105.19 119.91 2kiv n GLY 24 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.52 2.99 0.01 1.61 3.72 0.13 -4.39 117.46 120.00 2kiv n PHE 25 Ca 0.00 -3.02 0.10 0.00 -0.05 0.00 0.00 57.45 54.48 2kiv n PHE 25 Cb 0.00 -2.48 -0.14 0.00 -0.94 0.00 0.00 39.48 35.92 2kiv n PHE 25 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2kiv n ASP 26 N 4.75 0.18 -4.16 4.37 5.75 -1.26 -2.28 116.55 123.91 2kiv n ASP 26 Ca 0.64 0.07 -0.33 0.00 -0.01 0.00 0.00 54.79 55.16 2kiv n ASP 26 Cb 0.31 1.60 -0.16 0.00 -1.03 0.00 0.00 41.12 41.85 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 -4.77 3.34 0.46 -1.12 2.47 -1.26 -4.44 114.94 109.62 2kiv s ASN 27 Ca -0.07 -0.60 0.23 0.00 0.42 0.00 0.00 52.86 52.85 2kiv s ASN 27 Cb 0.13 -1.53 1.24 0.00 -1.45 0.00 0.00 41.25 39.64 2kiv s ASN 27 CO 0.88 0.00 1.85 0.58 -3.72 0.00 0.00 177.10 176.69 2kiv h VAL 28 N 5.89 0.60 -0.85 -5.21 2.07 -1.89 0.18 116.25 117.04 2kiv h VAL 28 Ca -0.44 -0.08 0.24 0.00 0.82 0.00 0.00 66.70 67.23 2kiv h VAL 28 Cb 1.15 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 2kiv h VAL 28 CO 0.63 0.05 0.61 -0.61 0.02 0.00 0.00 177.57 178.26 2kiv h GLN 29 N 0.25 0.02 -0.35 1.57 5.75 -1.94 0.22 115.11 120.62 2kiv h GLN 29 Ca 0.48 -0.00 0.10 0.00 -0.15 0.00 0.00 58.65 59.08 2kiv h GLN 29 Cb 1.45 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.98 2kiv h GLN 29 CO -0.13 0.01 0.39 0.00 -2.65 0.00 0.00 178.83 176.45 2kiv h ALA 30 N 1.58 2.04 0.02 3.38 0.00 -1.05 0.28 119.26 125.51 2kiv h ALA 30 Ca 0.41 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.09 2kiv h ALA 30 Cb 1.60 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 2kiv h ALA 30 CO -0.01 -0.57 -0.98 0.52 0.00 0.00 0.00 179.25 178.20 2kiv h MET 31 N 0.00 0.05 -0.31 0.00 2.86 -0.75 -3.33 114.93 113.46 2kiv h MET 31 Ca 0.17 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.79 2kiv h MET 31 Cb 0.95 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.58 2kiv h MET 31 CO -0.00 0.99 -0.09 0.78 1.06 0.00 0.00 176.91 179.65 2kiv h GLY 32 N 2.59 0.21 0.24 8.32 0.00 -0.53 -1.26 103.07 112.64 2kiv h GLY 32 Ca -0.03 0.12 0.18 0.00 0.00 0.00 0.00 47.33 47.60 2kiv h GLY 32 CO 0.14 -0.13 0.61 0.23 0.00 0.00 0.00 176.54 177.39 2kiv h SER 33 N -0.01 0.70 -1.82 0.19 0.87 -1.66 -3.31 113.55 108.50 2kiv h SER 33 Ca 0.15 0.07 0.10 0.00 -1.23 0.00 0.00 61.79 60.88 2kiv h SER 33 Cb 0.25 -0.06 -0.21 0.00 -0.44 0.00 0.00 62.40 61.94 2kiv h SER 33 CO -0.33 0.28 -0.08 0.20 -0.53 0.00 0.00 176.83 176.37 2kiv s ASN 34 N -5.53 -1.06 0.02 6.23 0.01 -0.50 -4.78 114.94 109.33 2kiv s ASN 34 Ca -0.10 1.44 -0.35 0.00 -0.71 0.00 0.00 52.86 53.13 2kiv s ASN 34 Cb 0.24 2.20 -0.14 0.00 0.41 0.00 0.00 41.25 43.96 2kiv s ASN 34 CO 0.80 -0.20 1.62 0.52 -1.51 0.00 0.00 177.10 178.32 2kiv n VAL 35 N 5.38 0.18 -1.69 1.60 0.31 -1.05 -4.57 118.33 118.50 2kiv n VAL 35 Ca -0.11 -0.03 -0.51 0.00 -0.01 0.00 0.00 64.34 63.67 2kiv n VAL 35 Cb 0.50 -1.41 -0.05 0.00 -0.91 0.00 0.00 33.84 31.96 2kiv n VAL 35 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2kiv n MET 36 N 4.26 1.81 -2.86 5.55 2.81 -1.26 -4.96 117.12 122.46 2kiv n MET 36 Ca 0.20 0.66 -0.20 0.00 -1.81 0.00 0.00 57.70 56.55 2kiv n MET 36 Cb 0.24 -2.44 0.07 0.00 -0.71 0.00 0.00 33.22 30.38 2kiv n MET 36 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2kiv s GLU 37 N 3.46 2.22 0.37 0.03 2.02 -1.26 -4.84 118.70 120.70 2kiv s GLU 37 Ca 0.93 -1.35 0.07 0.00 0.02 0.00 0.00 54.97 54.64 2kiv s GLU 37 Cb -0.82 -2.56 0.72 0.00 0.10 0.00 0.00 34.13 31.57 2kiv s GLU 37 CO 0.54 -0.93 1.91 0.22 0.02 0.00 0.00 175.26 177.03 2kiv h ASP 38 N 0.03 0.36 0.67 -0.19 3.58 -1.97 -0.81 116.42 118.09 2kiv h ASP 38 Ca -0.34 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.01 2kiv h ASP 38 Cb 1.28 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 42.24 2kiv h ASP 38 CO 0.42 0.45 -0.39 1.56 -2.88 0.00 0.00 179.24 178.40 2kiv h GLN 39 N 0.37 -0.95 -0.68 0.28 4.20 -1.97 0.23 115.11 116.59 2kiv h GLN 39 Ca 0.08 0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 2kiv h GLN 39 Cb 0.31 0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 2kiv h GLN 39 CO 0.01 -0.63 0.33 -0.44 -0.67 0.00 0.00 178.83 177.43 2kiv h ASP 40 N -0.98 0.89 -0.56 1.46 3.32 -1.95 0.30 116.42 118.90 2kiv h ASP 40 Ca -0.09 -0.13 0.04 0.00 0.02 0.00 0.00 57.03 56.87 2kiv h ASP 40 Cb 0.78 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 2kiv h ASP 40 CO 0.10 0.77 0.31 0.25 -1.72 0.00 0.00 179.24 178.96 2kiv h LEU 41 N 0.95 0.47 -0.06 1.55 5.85 -1.06 0.11 115.31 123.12 2kiv h LEU 41 Ca 0.23 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 2kiv h LEU 41 Cb 0.12 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 2kiv h LEU 41 CO -0.03 0.32 -0.13 0.25 -0.34 0.00 0.00 178.44 178.51 2kiv h LEU 42 N 0.60 0.00 -0.17 2.25 5.85 -0.28 -3.22 115.31 120.33 2kiv h LEU 42 Ca 0.24 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.73 2kiv h LEU 42 Cb 0.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2kiv h LEU 42 CO -0.14 0.13 -0.94 -0.08 -0.34 0.00 0.00 178.44 177.07 2kiv h GLU 43 N 0.00 0.41 0.00 1.25 4.81 0.57 -3.37 114.58 118.25 2kiv h GLU 43 Ca -0.00 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2kiv h GLU 43 Cb 1.08 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2kiv h GLU 43 CO 0.02 1.11 0.00 -0.89 -0.73 0.00 0.00 179.01 178.52 2kiv n ILE 44 N -3.75 0.00 0.00 2.32 5.41 0.31 -4.88 119.36 118.77 2kiv n ILE 44 Ca -0.07 1.41 0.00 0.00 1.00 0.00 0.00 62.75 65.09 2kiv n ILE 44 Cb 0.84 -2.38 0.00 0.00 -0.71 0.00 0.00 39.64 37.38 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 -0.91 0.00 2.41 7.39 0.00 -1.25 -5.03 105.19 107.80 2kiv n GLY 45 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.09 0.17 -0.61 2.08 -1.22 -4.70 119.36 118.17 2kiv n ILE 46 Ca 0.00 -3.97 0.03 0.00 0.56 0.00 0.00 62.75 59.36 2kiv n ILE 46 Cb 0.00 -1.19 0.39 0.00 -0.75 0.00 0.00 39.64 38.09 2kiv n ILE 46 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2kiv h LEU 47 N 2.39 0.09 -8.60 1.39 4.07 -1.87 -3.41 115.31 109.37 2kiv h LEU 47 Ca 0.48 -0.02 -0.50 0.00 0.08 0.00 0.00 57.88 57.91 2kiv h LEU 47 Cb 0.84 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.54 2kiv h LEU 47 CO 1.20 0.35 1.43 0.21 -1.08 0.00 0.00 178.44 180.55 2kiv s ASN 48 N -6.93 5.12 0.14 -0.43 3.84 -1.26 -4.91 114.94 110.51 2kiv s ASN 48 Ca -0.04 0.76 -0.35 0.00 0.21 0.00 0.00 52.86 53.44 2kiv s ASN 48 Cb 0.15 -2.52 -0.15 0.00 -0.55 0.00 0.00 41.25 38.18 2kiv s ASN 48 CO 0.73 -2.41 1.51 -1.20 -2.79 0.00 0.00 177.10 172.93 2kiv n SER 49 N 13.28 2.69 0.00 -4.21 7.64 -1.26 -3.86 113.62 127.90 2kiv n SER 49 Ca 0.26 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.23 2kiv n SER 49 Cb 0.52 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 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 3.13 1.03 0.01 0.23 0.00 -1.26 -4.95 105.19 103.38 2kiv n GLY 50 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 2kiv n GLY 50 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kiv n HIS 51 N 0.00 0.00 0.04 1.61 8.25 -1.25 -4.58 115.22 119.29 2kiv n HIS 51 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 2kiv n HIS 51 Cb 0.00 -0.13 -0.07 0.00 1.12 0.00 0.00 29.99 30.90 2kiv n HIS 51 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2kiv h ARG 52 N 0.00 -0.56 -0.55 -0.41 2.43 -1.83 0.29 114.38 113.74 2kiv h ARG 52 Ca -0.03 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 2kiv h ARG 52 Cb 0.47 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 2kiv h ARG 52 CO 0.00 -0.37 0.30 1.96 -1.51 0.00 0.00 179.97 180.35 2kiv h GLN 53 N -0.58 0.57 0.40 0.20 4.20 -1.98 0.03 115.11 117.95 2kiv h GLN 53 Ca 0.05 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 2kiv h GLN 53 Cb 0.67 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 2kiv h GLN 53 CO -0.35 0.38 -0.25 -0.09 -0.67 0.00 0.00 178.83 177.84 2kiv h ARG 54 N 0.59 -0.59 -0.92 1.46 9.65 -1.62 0.17 114.38 123.12 2kiv h ARG 54 Ca 0.24 0.04 0.21 0.00 -1.10 0.00 0.00 59.98 59.37 2kiv h ARG 54 Cb 0.11 0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 28.75 2kiv h ARG 54 CO -0.14 -0.39 0.61 0.82 2.80 0.00 0.00 179.97 183.66 2kiv h ILE 55 N -0.61 0.66 0.15 1.20 2.04 -0.39 0.71 117.51 121.27 2kiv h ILE 55 Ca -0.05 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2kiv h ILE 55 Cb 0.49 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2kiv h ILE 55 CO 0.05 0.07 -0.07 -0.07 0.00 0.00 0.00 178.15 178.13 2kiv h LEU 56 N 0.40 -0.17 -1.01 1.44 3.38 -0.64 -0.07 115.31 118.65 2kiv h LEU 56 Ca 0.48 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 2kiv h LEU 56 Cb 1.22 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 2kiv h LEU 56 CO -0.19 0.19 0.58 1.56 0.09 0.00 0.00 178.44 180.67 2kiv h GLN 57 N -0.55 1.26 0.62 1.13 1.08 0.45 0.13 115.11 119.23 2kiv h GLN 57 Ca -0.02 -0.10 -0.03 0.00 -1.45 0.00 0.00 58.65 57.05 2kiv h GLN 57 Cb 0.43 -0.27 0.01 0.00 -0.05 0.00 0.00 27.48 27.59 2kiv h GLN 57 CO 0.03 0.87 -0.30 0.00 -0.95 0.00 0.00 178.83 178.48 2kiv h ALA 58 N 1.36 -0.84 -0.06 3.87 0.00 -0.87 0.37 119.26 123.09 2kiv h ALA 58 Ca 0.34 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2kiv h ALA 58 Cb -0.08 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2kiv h ALA 58 CO -0.07 -0.81 0.06 0.97 0.00 0.00 0.00 179.25 179.40 2kiv h ILE 59 N -1.15 0.69 0.09 0.00 6.09 -0.94 0.57 117.51 122.86 2kiv h ILE 59 Ca -0.09 0.00 -0.27 0.00 -1.37 0.00 0.00 64.86 63.13 2kiv h ILE 59 Cb 0.68 0.96 0.02 0.00 0.47 0.00 0.00 36.82 38.94 2kiv h ILE 59 CO 0.14 0.00 -1.17 -0.61 -3.07 0.00 0.00 178.15 173.44 2kiv h GLN 60 N 0.00 0.47 -0.00 2.19 4.15 -0.63 -3.24 115.11 118.05 2kiv h GLN 60 Ca 0.03 -0.63 0.00 0.00 0.77 0.00 0.00 58.65 58.82 2kiv h GLN 60 Cb 0.14 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.04 2kiv h GLN 60 CO -0.00 1.26 -0.38 1.47 -1.93 0.00 0.00 178.83 179.25 2kiv n LEU 61 N -3.71 0.58 -0.07 -2.39 -0.00 0.11 -4.31 117.00 107.22 2kiv n LEU 61 Ca -0.10 -0.02 -0.14 0.00 -0.00 0.00 0.00 56.01 55.74 2kiv n LEU 61 Cb 0.96 -0.24 -0.10 0.00 -0.00 0.00 0.00 43.42 44.04 2kiv n LEU 61 CO 0.55 0.13 0.50 -0.07 -0.00 0.00 0.00 177.39 178.50 2kiv h LEU 62 N 0.31 -1.76 -7.65 1.47 3.38 0.07 -3.23 115.31 107.89 2kiv h LEU 62 Ca 0.00 0.22 -0.40 0.00 0.09 0.00 0.00 57.88 57.79 2kiv h LEU 62 Cb 0.49 0.70 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 2kiv h LEU 62 CO 0.00 -0.44 1.33 -0.81 0.09 0.00 0.00 178.44 178.61 2kiv n PRO 63 N -5.35 1.55 -0.01 1.13 -0.04 -1.26 -4.62 135.00 126.40 2kiv n PRO 63 Ca -0.05 -2.32 -0.01 0.00 -0.04 0.00 0.00 63.50 61.09 2kiv n PRO 63 Cb 0.36 -3.55 -0.00 0.00 -0.04 0.00 0.00 33.50 30.26 2kiv n PRO 63 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2kiv n LYS 64 N 8.00 0.06 -0.09 0.54 4.81 -1.22 -4.85 118.16 125.40 2kiv n LYS 64 Ca 0.46 0.08 -0.21 0.00 -0.87 0.00 0.00 58.31 57.76 2kiv n LYS 64 Cb 0.45 -0.66 -0.12 0.00 0.02 0.00 0.00 35.03 34.72 2kiv n LYS 64 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 2kiv h MET 65 N -0.12 0.02 -7.07 1.64 2.86 -1.92 -3.48 114.93 106.87 2kiv h MET 65 Ca 0.00 -0.04 -0.53 0.00 -2.06 0.00 0.00 59.70 57.07 2kiv h MET 65 Cb 0.10 0.02 0.21 0.00 0.06 0.00 0.00 31.60 31.99 2kiv h MET 65 CO 0.00 1.02 -0.09 0.54 1.06 0.00 0.00 176.91 179.44 2kiv n ARG 66 N -4.36 -0.37 -1.07 1.72 1.74 -1.26 -5.00 116.66 108.06 2kiv n ARG 66 Ca -0.31 -0.05 -0.30 0.00 -0.77 0.00 0.00 57.85 56.42 2kiv n ARG 66 Cb 0.70 -2.17 0.24 0.00 -1.02 0.00 0.00 32.46 30.22 2kiv n ARG 66 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2kiv s PRO 67 N -4.20 -1.34 0.52 5.56 0.04 -1.26 -4.91 135.00 129.41 2kiv s PRO 67 Ca 0.63 -0.10 0.08 0.00 0.04 0.00 0.00 61.00 61.65 2kiv s PRO 67 Cb -0.23 -1.59 0.05 0.00 0.04 0.00 0.00 34.50 32.78 2kiv s PRO 67 CO 0.61 -3.78 0.59 0.96 0.04 0.00 0.00 177.00 175.42 2kiv s ILE 68 N -3.01 2.20 -0.12 0.56 -4.36 -1.26 -4.95 121.20 110.27 2kiv s ILE 68 Ca 0.71 -1.19 -0.29 0.00 -0.26 0.00 0.00 60.65 59.62 2kiv s ILE 68 Cb -0.09 -2.39 -0.04 0.00 1.25 0.00 0.00 42.46 41.19 2kiv s ILE 68 CO 0.56 0.00 1.56 -0.83 0.24 0.00 0.00 174.94 176.47 2kiv s GLY 69 N -4.44 1.49 0.09 6.27 0.00 -1.25 -4.99 107.32 104.50 2kiv s GLY 69 Ca 0.51 0.73 -0.02 0.00 0.00 0.00 0.00 44.72 45.93 2kiv s GLY 69 CO 0.32 2.91 0.05 -1.58 0.00 0.00 0.00 173.10 174.79 2kiv s HIS 70 N 4.18 0.58 0.87 1.90 2.46 -1.26 -5.03 115.29 118.99 2kiv s HIS 70 Ca 0.69 -1.05 -0.10 0.00 0.47 0.00 0.00 55.06 55.07 2kiv s HIS 70 Cb -0.29 -0.36 0.17 0.00 -0.13 0.00 0.00 32.58 31.98 2kiv s HIS 70 CO 0.26 -0.47 1.19 0.16 -2.47 0.00 0.00 174.74 173.41 2kiv s ASP 71 N -2.96 3.59 0.00 9.88 -4.77 -1.26 -4.92 116.67 116.23 2kiv s ASP 71 Ca 0.13 -0.01 0.00 0.00 -3.30 0.00 0.00 52.55 49.38 2kiv s ASP 71 Cb 0.07 -0.16 0.00 0.00 -1.09 0.00 0.00 42.92 41.74 2kiv s ASP 71 CO -0.05 -2.40 0.00 0.61 0.70 0.00 0.00 175.17 174.03 2kiv n GLY 72 N -3.40 0.18 3.59 2.12 0.00 -1.26 -5.15 105.19 101.27 2kiv n GLY 72 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2kiv n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kiv s ALA 73 N 0.00 0.60 -0.59 4.61 0.00 -1.26 -4.99 121.76 120.14 2kiv s ALA 73 Ca 0.00 0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.35 2kiv s ALA 73 Cb 0.00 -3.38 0.25 0.00 0.00 0.00 0.00 23.12 19.99 2kiv s ALA 73 CO 0.00 -3.28 0.70 0.72 0.00 0.00 0.00 175.76 173.90 2kiv n HIS 74 N -4.57 2.81 -2.25 0.00 8.25 -1.26 -5.09 115.22 113.11 2kiv n HIS 74 Ca 0.08 -4.03 -0.41 0.00 -0.26 0.00 0.00 57.72 53.10 2kiv n HIS 74 Cb 0.53 -0.51 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 2kiv n HIS 74 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2kiv s PRO 75 N -2.20 4.46 -0.08 -0.41 0.04 -1.26 -4.95 135.00 130.59 2kiv s PRO 75 Ca 0.39 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.56 2kiv s PRO 75 Cb 0.15 -3.13 -0.11 0.00 0.04 0.00 0.00 34.50 31.45 2kiv s PRO 75 CO -0.03 -0.06 0.05 0.25 0.04 0.00 0.00 177.00 177.25 2kiv n THR 76 N 1.18 0.54 -3.89 1.26 -2.24 -1.26 -5.01 114.28 104.87 2kiv n THR 76 Ca 0.00 -0.36 -0.09 0.00 -2.27 0.00 0.00 64.05 61.34 2kiv n THR 76 Cb 0.43 -0.66 -0.05 0.00 -2.10 0.00 0.00 70.33 67.95 2kiv n THR 76 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kiv s SER 77 N -3.98 -0.15 0.36 3.42 0.01 -1.26 -4.87 113.70 107.25 2kiv s SER 77 Ca -0.04 -0.73 0.12 0.00 1.31 0.00 0.00 55.95 56.60 2kiv s SER 77 Cb 0.03 0.57 0.91 0.00 0.21 0.00 0.00 66.02 67.75 2kiv s SER 77 CO 0.36 -1.09 1.82 0.58 0.41 0.00 0.00 173.24 175.32 2kiv h VAL 78 N 2.26 0.70 0.65 3.43 2.07 -1.87 0.44 116.25 123.94 2kiv h VAL 78 Ca -0.27 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 2kiv h VAL 78 Cb 1.25 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2kiv h VAL 78 CO 0.37 0.11 -0.31 0.00 0.02 0.00 0.00 177.57 177.75 2kiv h ALA 79 N 1.62 -0.88 0.00 1.67 0.00 -1.93 -0.36 119.26 119.38 2kiv h ALA 79 Ca 0.52 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2kiv h ALA 79 Cb 1.03 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2kiv h ALA 79 CO -0.26 -0.89 0.00 0.39 0.00 0.00 0.00 179.25 178.49 2kiv n GLU 80 N -5.40 0.10 0.05 0.00 4.71 -0.85 0.04 120.64 119.28 2kiv n GLU 80 Ca -0.12 0.37 -0.22 0.00 -0.01 0.00 0.00 57.16 57.17 2kiv n GLU 80 Cb 0.37 -1.70 -0.15 0.00 -1.01 0.00 0.00 31.44 28.96 2kiv n GLU 80 CO 0.00 0.00 0.00 2.35 0.09 0.00 0.00 177.13 179.57 2kiv h TRP 81 N 0.00 0.61 0.08 -0.32 7.01 0.13 -3.22 115.95 120.24 2kiv h TRP 81 Ca 0.00 -0.44 -0.28 0.00 2.11 0.00 0.00 58.89 60.27 2kiv h TRP 81 Cb 0.27 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.29 2kiv h TRP 81 CO 0.00 1.56 -1.51 -0.07 -2.79 0.00 0.00 178.44 175.63 2kiv h LEU 82 N -0.14 0.28 -2.83 0.65 3.38 -0.82 -3.34 115.31 112.49 2kiv h LEU 82 Ca -0.29 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 56.89 2kiv h LEU 82 Cb 1.90 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.56 2kiv h LEU 82 CO 0.13 1.64 0.02 -0.78 0.09 0.00 0.00 178.44 179.55 2kiv h ASP 83 N -0.41 0.00 -0.48 -0.43 1.82 -0.59 0.24 116.42 116.58 2kiv h ASP 83 Ca -0.35 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.29 2kiv h ASP 83 Cb 1.70 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.71 2kiv h ASP 83 CO -0.01 0.00 0.00 -0.24 -1.61 0.00 0.00 179.24 177.38 2kiv n SER 84 N -3.22 2.83 0.00 2.28 2.88 -1.22 -4.54 113.62 112.63 2kiv n SER 84 Ca -0.03 -1.96 0.00 0.00 -1.33 0.00 0.00 58.87 55.55 2kiv n SER 84 Cb 0.10 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 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 1.05 0.00 0.09 2.46 5.41 0.82 -5.05 119.36 124.15 2kiv n ILE 85 Ca 0.18 0.13 0.00 0.00 1.00 0.00 0.00 62.75 64.06 2kiv n ILE 85 Cb 0.46 -1.07 0.00 0.00 -0.71 0.00 0.00 39.64 38.32 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 -2.28 0.00 -4.60 0.38 1.02 -1.00 -5.11 120.64 109.04 2kiv n GLU 86 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 2kiv n GLU 86 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.26 2kiv n GLU 86 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2kiv s LEU 87 N -5.90 2.37 0.00 -4.62 2.34 -1.25 -4.92 118.68 106.69 2kiv s LEU 87 Ca 0.00 -0.50 0.24 0.00 0.06 0.00 0.00 54.13 53.92 2kiv s LEU 87 Cb 0.00 -1.53 0.20 0.00 -0.56 0.00 0.00 46.19 44.30 2kiv s LEU 87 CO 0.00 0.09 1.22 0.61 -1.06 0.00 0.00 176.35 177.21 2kiv n GLY 88 N 4.02 -0.04 0.35 -3.48 0.00 -1.26 -4.32 105.19 100.46 2kiv n GLY 88 Ca -0.19 -0.59 0.06 0.00 0.00 0.00 0.00 46.02 45.30 2kiv n GLY 88 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kiv h ASP 89 N 2.32 0.89 -0.52 1.61 3.32 -1.94 0.39 116.42 122.49 2kiv h ASP 89 Ca 0.00 0.04 0.15 0.00 0.02 0.00 0.00 57.03 57.24 2kiv h ASP 89 Cb 0.71 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 2kiv h ASP 89 CO 0.00 0.49 0.45 1.88 -1.72 0.00 0.00 179.24 180.33 2kiv h TYR 90 N 0.98 0.00 -1.19 4.55 0.05 -2.00 -1.00 116.97 118.36 2kiv h TYR 90 Ca 0.47 0.00 0.34 0.00 0.05 0.00 0.00 58.73 59.59 2kiv h TYR 90 Cb 0.43 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.08 2kiv h TYR 90 CO -0.01 0.00 0.79 1.15 -1.05 0.00 0.00 178.16 179.04 2kiv h THR 91 N 0.00 0.37 0.42 -2.88 2.02 -1.21 0.51 112.91 112.14 2kiv h THR 91 Ca 0.25 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 2kiv h THR 91 Cb 1.13 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2kiv h THR 91 CO -0.00 0.04 -0.20 0.50 0.37 0.00 0.00 175.52 176.22 2kiv h LYS 92 N 0.20 -0.54 -0.36 6.66 3.64 -1.36 -0.80 116.57 124.01 2kiv h LYS 92 Ca 0.66 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 60.08 2kiv h LYS 92 Cb 2.07 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.99 2kiv h LYS 92 CO -0.24 -0.31 0.23 0.00 -2.27 0.00 0.00 179.45 176.86 2kiv h ALA 93 N -0.13 0.45 -0.36 5.00 0.00 -1.13 -1.04 119.26 122.05 2kiv h ALA 93 Ca -0.06 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2kiv h ALA 93 Cb 0.49 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2kiv h ALA 93 CO 0.09 -0.09 0.09 0.74 0.00 0.00 0.00 179.25 180.08 2kiv h PHE 94 N 0.48 0.15 0.65 0.00 -1.00 -1.15 0.22 116.94 116.28 2kiv h PHE 94 Ca 0.13 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.90 2kiv h PHE 94 Cb -0.05 -0.01 0.01 0.00 3.61 0.00 0.00 35.95 39.50 2kiv h PHE 94 CO -0.05 0.04 -0.31 -0.07 -1.61 0.00 0.00 178.31 176.30 2kiv h LEU 95 N 0.22 -0.74 -1.98 1.54 3.38 -0.88 0.24 115.31 117.08 2kiv h LEU 95 Ca 0.17 0.03 0.21 0.00 0.09 0.00 0.00 57.88 58.37 2kiv h LEU 95 Cb 0.19 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2kiv h LEU 95 CO -0.21 -0.50 0.55 0.16 0.09 0.00 0.00 178.44 178.53 2kiv h ILE 96 N -0.93 0.55 -0.13 1.22 3.07 -1.13 0.30 117.51 120.46 2kiv h ILE 96 Ca -0.09 0.00 -0.15 0.00 1.55 0.00 0.00 64.86 66.17 2kiv h ILE 96 Cb 0.67 0.61 -0.01 0.00 -0.27 0.00 0.00 36.82 37.81 2kiv h ILE 96 CO 0.15 0.00 -0.56 0.78 -1.05 0.00 0.00 178.15 177.47 2kiv h ASN 97 N 0.00 0.44 0.00 2.16 -0.26 -0.28 -3.47 115.58 114.16 2kiv h ASN 97 Ca 0.34 -0.23 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 2kiv h ASN 97 Cb 1.44 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 38.58 2kiv h ASN 97 CO -0.00 0.90 0.00 0.61 -1.06 0.00 0.00 177.43 177.88 2kiv n GLY 98 N 0.21 0.31 3.55 2.83 0.00 0.11 -5.08 105.19 107.12 2kiv n GLY 98 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.30 1.96 -0.04 1.61 2.02 0.75 -4.68 117.35 117.66 2kiv s TYR 99 Ca 0.00 0.35 0.06 0.00 -0.37 0.00 0.00 57.07 57.10 2kiv s TYR 99 Cb 0.00 -4.32 -0.08 0.00 -0.40 0.00 0.00 41.96 37.16 2kiv s TYR 99 CO 0.00 -2.13 0.06 0.25 -1.57 0.00 0.00 175.55 172.16 2kiv n THR 100 N 7.00 0.28 -4.38 -0.71 -2.24 -1.26 -4.20 114.28 108.76 2kiv n THR 100 Ca 0.18 -0.22 -0.35 0.00 -2.27 0.00 0.00 64.05 61.39 2kiv n THR 100 Cb 0.50 -0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 68.17 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 -3.43 5.16 0.08 3.42 0.01 -1.26 -4.75 113.70 112.94 2kiv s SER 101 Ca -0.03 0.10 -0.29 0.00 1.31 0.00 0.00 55.95 57.04 2kiv s SER 101 Cb 0.03 -1.50 -0.17 0.00 0.21 0.00 0.00 66.02 64.59 2kiv s SER 101 CO 0.25 0.35 1.66 -0.03 0.41 0.00 0.00 173.24 175.89 2kiv h MET 102 N 5.37 -0.55 -0.95 12.44 4.05 -1.95 -2.28 114.93 131.06 2kiv h MET 102 Ca -0.48 0.04 0.25 0.00 -0.28 0.00 0.00 59.70 59.22 2kiv h MET 102 Cb 1.19 0.13 -0.06 0.00 -0.80 0.00 0.00 31.60 32.05 2kiv h MET 102 CO 0.56 -0.37 0.65 0.22 0.23 0.00 0.00 176.91 178.20 2kiv h ASP 103 N -0.57 0.24 -0.97 1.39 3.58 -2.00 0.15 116.42 118.23 2kiv h ASP 103 Ca -0.05 0.03 0.09 0.00 0.42 0.00 0.00 57.03 57.53 2kiv h ASP 103 Cb 0.45 -0.01 -0.07 0.00 1.72 0.00 0.00 39.33 41.42 2kiv h ASP 103 CO 0.08 0.08 0.62 0.25 -2.88 0.00 0.00 179.24 177.39 2kiv h LEU 104 N 0.23 0.93 -2.32 2.28 6.46 -1.83 0.11 115.31 121.17 2kiv h LEU 104 Ca 0.49 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 58.27 2kiv h LEU 104 Cb 1.52 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 41.28 2kiv h LEU 104 CO -0.13 0.55 -0.04 -0.07 -0.62 0.00 0.00 178.44 178.13 2kiv h LEU 105 N 1.03 0.00 0.00 2.25 3.38 -0.71 0.12 115.31 121.38 2kiv h LEU 105 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 2kiv h LEU 105 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2kiv h LEU 105 CO -0.21 0.04 -0.27 1.17 0.09 0.00 0.00 178.44 179.26 2kiv n LYS 106 N -3.62 0.22 0.07 1.13 4.81 0.35 -3.53 118.16 117.58 2kiv n LYS 106 Ca -0.02 0.13 -0.05 0.00 -0.87 0.00 0.00 58.31 57.49 2kiv n LYS 106 Cb 0.14 -1.70 -0.10 0.00 0.02 0.00 0.00 35.03 33.39 2kiv n LYS 106 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2kiv h LYS 107 N 0.00 0.00 -7.15 1.64 1.63 -0.73 -3.46 116.57 108.50 2kiv h LYS 107 Ca 0.00 0.00 -0.49 0.00 -0.85 0.00 0.00 60.65 59.31 2kiv h LYS 107 Cb 0.70 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.35 2kiv h LYS 107 CO 0.00 0.86 0.32 0.96 -3.45 0.00 0.00 179.45 178.14 2kiv s ILE 108 N -2.75 4.66 0.56 2.00 -4.36 -1.18 -5.09 121.20 115.05 2kiv s ILE 108 Ca 0.01 0.94 0.07 0.00 -0.26 0.00 0.00 60.65 61.40 2kiv s ILE 108 Cb 0.09 -3.77 0.06 0.00 1.25 0.00 0.00 42.46 40.09 2kiv s ILE 108 CO 0.81 -0.79 0.54 0.00 0.24 0.00 0.00 174.94 175.73 2kiv s ALA 109 N -2.73 4.56 0.04 2.27 0.00 -1.26 -4.94 121.76 119.69 2kiv s ALA 109 Ca 0.56 -1.51 -0.16 0.00 0.00 0.00 0.00 51.96 50.85 2kiv s ALA 109 Cb -0.10 -0.95 -0.07 0.00 0.00 0.00 0.00 23.12 21.99 2kiv s ALA 109 CO 0.38 -0.61 1.26 1.49 0.00 0.00 0.00 175.76 178.29 2kiv h GLU 110 N 0.53 -0.40 -0.86 0.00 4.81 -1.99 -1.10 114.58 115.58 2kiv h GLU 110 Ca -0.34 0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.09 2kiv h GLU 110 Cb 1.30 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 30.67 2kiv h GLU 110 CO 0.52 -0.27 0.40 -0.24 -0.73 0.00 0.00 179.01 178.69 2kiv h VAL 111 N -0.42 0.62 -0.09 0.32 3.04 -1.97 0.67 116.25 118.43 2kiv h VAL 111 Ca -0.02 -0.18 0.04 0.00 -1.01 0.00 0.00 66.70 65.54 2kiv h VAL 111 Cb 0.38 0.06 -0.05 0.00 -2.01 0.00 0.00 31.29 29.67 2kiv h VAL 111 CO -0.07 0.09 -0.24 -0.33 -1.01 0.00 0.00 177.57 176.01 2kiv h GLU 112 N 0.51 -0.31 0.00 4.17 4.39 -1.85 0.30 114.58 121.79 2kiv h GLU 112 Ca 0.49 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 60.16 2kiv h GLU 112 Cb 0.81 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2kiv h GLU 112 CO -0.43 -0.21 -0.26 1.37 -1.16 0.00 0.00 179.01 178.32 2kiv h LEU 113 N -0.33 0.00 -0.46 1.33 8.10 -0.14 0.28 115.31 124.09 2kiv h LEU 113 Ca 0.09 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 58.01 2kiv h LEU 113 Cb 0.46 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.67 2kiv h LEU 113 CO -0.28 0.26 -0.34 0.40 -4.11 0.00 0.00 178.44 174.37 2kiv h ILE 114 N 0.00 0.65 0.00 0.15 2.04 0.51 0.12 117.51 120.98 2kiv h ILE 114 Ca -0.00 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.21 2kiv h ILE 114 Cb 0.59 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2kiv h ILE 114 CO 0.03 0.33 -1.77 0.59 0.00 0.00 0.00 178.15 177.33 2kiv n ASN 115 N -3.29 0.41 -0.11 1.72 4.13 0.92 -3.16 115.26 115.87 2kiv n ASN 115 Ca 0.01 -0.16 -0.19 0.00 1.68 0.00 0.00 54.58 55.92 2kiv n ASN 115 Cb 0.59 1.78 -0.07 0.00 -1.54 0.00 0.00 39.78 40.54 2kiv n ASN 115 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2kiv n VAL 116 N -2.09 1.51 0.64 2.41 0.31 0.93 -4.51 118.33 117.52 2kiv n VAL 116 Ca -0.03 -0.09 0.12 0.00 -0.01 0.00 0.00 64.34 64.34 2kiv n VAL 116 Cb 0.50 -2.11 0.23 0.00 -0.91 0.00 0.00 33.84 31.55 2kiv n VAL 116 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2kiv n LEU 117 N -4.39 0.67 -3.54 7.52 7.99 0.37 -4.96 117.00 120.66 2kiv n LEU 117 Ca -0.33 0.27 -0.21 0.00 -0.01 0.00 0.00 56.01 55.73 2kiv n LEU 117 Cb 0.66 -0.22 0.08 0.00 -0.11 0.00 0.00 43.42 43.83 2kiv n LEU 117 CO 0.12 -0.06 0.19 0.29 -1.51 0.00 0.00 177.39 176.43 2kiv n LYS 118 N -2.06 -7.46 -3.16 3.23 4.76 -0.99 -4.95 118.16 107.53 2kiv n LYS 118 Ca 0.04 0.83 -0.43 0.00 -2.87 0.00 0.00 58.31 55.88 2kiv n LYS 118 Cb 0.42 -5.88 -0.07 0.00 -1.84 0.00 0.00 35.03 27.67 2kiv n LYS 118 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2kiv s ILE 119 N -3.34 4.89 -0.03 -0.18 1.01 -1.25 -4.84 121.20 117.47 2kiv s ILE 119 Ca 0.37 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.98 2kiv s ILE 119 Cb -0.16 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 2kiv s ILE 119 CO 0.73 -0.59 0.02 -0.46 0.00 0.00 0.00 174.94 174.64 2kiv n ASN 120 N 6.12 4.09 -4.61 3.58 6.94 -1.26 -4.67 115.26 125.44 2kiv n ASN 120 Ca -0.03 0.00 -0.44 0.00 -0.02 0.00 0.00 54.58 54.08 2kiv n ASN 120 Cb 0.47 0.66 -0.02 0.00 -2.36 0.00 0.00 39.78 38.53 2kiv n ASN 120 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2kiv n LEU 121 N -2.08 2.17 0.15 -4.53 7.94 -1.26 -4.84 117.00 114.55 2kiv n LEU 121 Ca -0.05 1.18 -0.06 0.00 -1.11 0.00 0.00 56.01 55.97 2kiv n LEU 121 Cb 0.56 -1.33 -0.03 0.00 0.53 0.00 0.00 43.42 43.16 2kiv n LEU 121 CO 0.08 -1.18 0.47 0.40 -1.11 0.00 0.00 177.39 176.05 2kiv h ILE 122 N 2.17 0.00 -0.47 1.96 1.08 -1.87 -0.38 117.51 120.01 2kiv h ILE 122 Ca -0.41 -0.02 0.05 0.00 -0.39 0.00 0.00 64.86 64.08 2kiv h ILE 122 Cb 1.33 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 35.00 2kiv h ILE 122 CO 0.62 0.00 -0.49 1.23 -0.69 0.00 0.00 178.15 178.82 2kiv h GLY 123 N -0.40 -1.14 0.06 5.37 0.00 -0.66 0.20 103.07 106.50 2kiv h GLY 123 Ca -0.04 0.76 0.06 0.00 0.00 0.00 0.00 47.33 48.11 2kiv h GLY 123 CO 0.06 -0.18 -0.33 0.45 0.00 0.00 0.00 176.54 176.55 2kiv h HIS 124 N -0.26 -0.90 0.08 5.60 3.86 -1.78 0.35 115.15 122.09 2kiv h HIS 124 Ca 0.08 0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.34 2kiv h HIS 124 Cb 0.48 0.43 -0.03 0.00 1.06 0.00 0.00 27.41 29.34 2kiv h HIS 124 CO -0.78 -0.40 -0.35 -0.09 0.86 0.00 0.00 177.93 177.17 2kiv h ARG 125 N -0.36 -0.48 -0.92 2.45 2.43 -0.20 -0.85 114.38 116.44 2kiv h ARG 125 Ca 0.12 0.03 0.19 0.00 -0.81 0.00 0.00 59.98 59.51 2kiv h ARG 125 Cb 0.54 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.13 2kiv h ARG 125 CO -0.41 -0.32 0.60 -0.22 -1.51 0.00 0.00 179.97 178.11 2kiv h LYS 126 N -0.50 0.52 0.58 0.20 1.63 -0.38 0.33 116.57 118.95 2kiv h LYS 126 Ca -0.00 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 2kiv h LYS 126 Cb 0.50 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 2kiv h LYS 126 CO -0.19 0.35 -0.34 -0.09 -3.45 0.00 0.00 179.45 175.73 2kiv h ARG 127 N 0.54 -0.82 0.03 1.90 9.65 0.83 0.13 114.38 126.63 2kiv h ARG 127 Ca 0.49 0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 59.42 2kiv h ARG 127 Cb 1.02 0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 2kiv h ARG 127 CO -0.22 -0.55 -0.01 0.82 2.80 0.00 0.00 179.97 182.81 2kiv h ILE 128 N -0.86 1.11 -0.59 1.20 2.04 -0.75 0.14 117.51 119.80 2kiv h ILE 128 Ca -0.08 -0.43 0.12 0.00 1.00 0.00 0.00 64.86 65.47 2kiv h ILE 128 Cb 0.68 1.40 -0.10 0.00 -0.74 0.00 0.00 36.82 38.06 2kiv h ILE 128 CO 0.09 0.11 0.01 0.25 0.00 0.00 0.00 178.15 178.61 2kiv h LEU 129 N -0.22 -0.25 -0.70 1.44 5.85 -0.39 0.11 115.31 121.14 2kiv h LEU 129 Ca -0.00 0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.72 2kiv h LEU 129 Cb 0.21 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2kiv h LEU 129 CO 0.01 -0.10 -0.64 0.00 -0.34 0.00 0.00 178.44 177.36 2kiv h ALA 130 N 1.54 0.92 -0.66 1.25 0.00 -0.64 0.13 119.26 121.80 2kiv h ALA 130 Ca 0.31 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2kiv h ALA 130 Cb 0.49 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2kiv h ALA 130 CO -0.50 0.80 0.17 1.03 0.00 0.00 0.00 179.25 180.75 2kiv h SER 131 N 0.02 0.99 0.00 0.00 0.87 0.16 -3.32 113.55 112.27 2kiv h SER 131 Ca -0.01 -0.23 -0.08 0.00 -1.23 0.00 0.00 61.79 60.25 2kiv h SER 131 Cb 1.14 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 2kiv h SER 131 CO 0.09 0.96 -0.62 -0.07 -0.53 0.00 0.00 176.83 176.65 2kiv h LEU 132 N 0.97 0.00 0.00 2.23 3.38 -0.92 -3.51 115.31 117.47 2kiv h LEU 132 Ca 0.21 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2kiv h LEU 132 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2kiv h LEU 132 CO -0.00 1.00 0.00 0.61 0.09 0.00 0.00 178.44 180.14 2kiv n GLY 133 N 1.58 2.22 3.50 0.83 0.00 0.44 -5.08 105.19 108.68 2kiv n GLY 133 Ca -0.15 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.44 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 3.99 0.00 1.61 1.01 -1.26 -4.92 116.67 117.10 2kiv s ASP 134 Ca 0.00 -0.43 0.00 0.00 0.71 0.00 0.00 52.55 52.83 2kiv s ASP 134 Cb 0.00 -0.67 0.00 0.00 1.01 0.00 0.00 42.92 43.26 2kiv s ASP 134 CO 0.00 0.22 0.30 0.54 0.21 0.00 0.00 175.17 176.45