#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 2.31 -0.27 1.45 0.00 -1.26 -5.09 119.66 116.80 2kiv s GLN 2 Ca 0.00 -1.81 -0.23 0.00 -0.00 0.00 0.00 55.36 53.33 2kiv s GLN 2 Cb 0.00 -2.36 0.07 0.00 0.00 0.00 0.00 33.01 30.73 2kiv s GLN 2 CO 0.00 -0.67 0.71 0.99 0.00 0.00 0.00 175.29 176.33 2kiv s THR 3 N -2.69 -0.00 0.53 3.63 2.01 -1.26 -4.73 115.64 113.12 2kiv s THR 3 Ca 0.47 0.00 0.32 0.00 0.31 0.00 0.00 61.69 62.79 2kiv s THR 3 Cb -0.04 -1.00 0.50 0.00 0.01 0.00 0.00 72.50 71.98 2kiv s THR 3 CO 0.29 0.00 1.85 0.58 -0.69 0.00 0.00 174.62 176.65 2kiv h VAL 4 N 4.27 0.49 0.39 3.82 2.07 -1.90 -0.66 116.25 124.74 2kiv h VAL 4 Ca -0.29 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 2kiv h VAL 4 Cb 1.18 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2kiv h VAL 4 CO 0.08 0.01 -0.19 1.23 0.02 0.00 0.00 177.57 178.72 2kiv h GLY 5 N 0.04 -0.54 0.78 2.17 0.00 -1.94 0.78 103.07 104.35 2kiv h GLY 5 Ca 0.50 0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.99 2kiv h GLY 5 CO -0.03 -0.20 -0.03 -1.61 0.00 0.00 0.00 176.54 174.67 2kiv h GLN 6 N -0.66 0.31 0.46 4.80 4.15 -1.65 -0.58 115.11 121.94 2kiv h GLN 6 Ca -0.05 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.24 2kiv h GLN 6 Cb 0.48 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 2kiv h GLN 6 CO 0.09 0.57 -0.38 2.35 -1.93 0.00 0.00 178.83 179.53 2kiv h TRP 7 N 0.03 -1.01 -0.37 3.99 7.01 -1.21 0.20 115.95 124.59 2kiv h TRP 7 Ca 0.04 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.07 2kiv h TRP 7 Cb 0.45 0.38 -0.03 0.00 -2.10 0.00 0.00 29.16 27.86 2kiv h TRP 7 CO 0.05 -0.54 0.18 1.25 -2.79 0.00 0.00 178.44 176.59 2kiv h LEU 8 N -0.83 0.27 -1.54 0.65 5.85 -0.89 -1.08 115.31 117.73 2kiv h LEU 8 Ca -0.05 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.71 2kiv h LEU 8 Cb 0.72 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 2kiv h LEU 8 CO -0.01 0.20 0.33 -0.08 -0.34 0.00 0.00 178.44 178.53 2kiv h GLU 9 N 0.38 0.59 0.20 1.25 4.81 -0.90 0.16 114.58 121.08 2kiv h GLU 9 Ca 0.16 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2kiv h GLU 9 Cb 0.07 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.32 2kiv h GLU 9 CO -0.11 0.39 -0.10 1.03 -0.73 0.00 0.00 179.01 179.49 2kiv h SER 10 N 0.61 -0.23 0.48 1.04 0.87 0.28 -3.10 113.55 113.49 2kiv h SER 10 Ca 0.19 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 2kiv h SER 10 Cb 0.02 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2kiv h SER 10 CO -0.05 0.20 -0.11 0.16 -0.53 0.00 0.00 176.83 176.51 2kiv h ILE 11 N -0.71 0.44 0.00 2.23 3.07 -0.98 -3.46 117.51 118.10 2kiv h ILE 11 Ca -0.03 -0.55 0.00 0.00 1.55 0.00 0.00 64.86 65.83 2kiv h ILE 11 Cb 0.49 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 38.43 2kiv h ILE 11 CO 0.05 0.10 0.00 0.61 -1.05 0.00 0.00 178.15 177.86 2kiv n GLY 12 N -0.54 0.81 3.35 0.16 0.00 0.55 -4.93 105.19 104.59 2kiv n GLY 12 Ca -0.01 0.30 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 0.15 -0.85 0.99 1.43 -1.19 -4.69 118.68 114.52 2kiv s LEU 13 Ca 0.00 -0.10 -0.23 0.00 -1.03 0.00 0.00 54.13 52.78 2kiv s LEU 13 Cb 0.00 2.00 -0.15 0.00 0.03 0.00 0.00 46.19 48.07 2kiv s LEU 13 CO 0.00 -0.80 1.91 -0.81 0.23 0.00 0.00 176.35 176.88 2kiv n PRO 14 N 0.03 1.47 0.00 1.29 -0.04 -1.26 -4.15 135.00 132.34 2kiv n PRO 14 Ca -0.17 -1.99 0.00 0.00 -0.04 0.00 0.00 63.50 61.30 2kiv n PRO 14 Cb 0.62 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 2kiv n PRO 14 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2kiv n GLN 15 N 7.41 2.64 0.00 0.54 0.00 -1.26 -4.73 117.38 121.98 2kiv n GLN 15 Ca 0.48 0.00 0.04 0.00 -0.00 0.00 0.00 57.00 57.52 2kiv n GLN 15 Cb 0.42 -0.94 0.02 0.00 0.00 0.00 0.00 30.24 29.74 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 -1.66 0.00 -0.18 3.69 4.02 -1.26 -4.65 117.16 117.12 2kiv n TYR 16 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2kiv n TYR 16 Cb 0.30 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 39.72 2kiv n TYR 16 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 2kiv h GLU 17 N 1.18 0.25 0.19 -0.72 4.11 -1.84 -0.07 114.58 117.68 2kiv h GLU 17 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 2kiv h GLU 17 Cb 0.29 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2kiv h GLU 17 CO 0.00 0.17 -0.15 -0.97 0.07 0.00 0.00 179.01 178.12 2kiv h ASN 18 N 0.26 -0.40 0.01 3.06 -0.73 -1.92 -1.17 115.58 114.70 2kiv h ASN 18 Ca 0.29 0.03 0.03 0.00 1.87 0.00 0.00 56.30 58.52 2kiv h ASN 18 Cb 0.41 0.13 -0.04 0.00 0.27 0.00 0.00 38.32 39.09 2kiv h ASN 18 CO -0.37 -0.24 -0.25 0.45 -0.37 0.00 0.00 177.43 176.65 2kiv h HIS 19 N -0.36 -0.68 0.13 0.67 3.86 -1.71 0.88 115.15 117.94 2kiv h HIS 19 Ca -0.01 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2kiv h HIS 19 Cb 0.32 0.30 -0.04 0.00 1.06 0.00 0.00 27.41 29.05 2kiv h HIS 19 CO -0.12 -0.35 -0.45 -0.07 0.86 0.00 0.00 177.93 177.81 2kiv h LEU 20 N -0.40 -1.35 -0.30 2.43 4.07 -0.90 0.35 115.31 119.20 2kiv h LEU 20 Ca 0.06 0.14 0.07 0.00 0.08 0.00 0.00 57.88 58.23 2kiv h LEU 20 Cb 0.48 0.50 -0.08 0.00 1.08 0.00 0.00 40.66 42.63 2kiv h LEU 20 CO -0.21 -0.49 -0.26 0.24 -1.08 0.00 0.00 178.44 176.64 2kiv h MET 21 N -0.67 -0.23 -0.02 1.13 2.86 0.16 0.55 114.93 118.72 2kiv h MET 21 Ca -0.01 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2kiv h MET 21 Cb 0.66 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.37 2kiv h MET 21 CO -0.23 -0.15 0.03 0.00 1.06 0.00 0.00 176.91 177.61 2kiv h ALA 22 N 0.82 1.46 -0.41 6.32 0.00 -0.46 0.71 119.26 127.69 2kiv h ALA 22 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2kiv h ALA 22 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2kiv h ALA 22 CO -0.44 -0.03 0.00 -1.71 0.00 0.00 0.00 179.25 177.06 2kiv n ASN 23 N -3.69 4.33 0.00 0.00 2.85 0.12 -4.87 115.26 114.00 2kiv n ASN 23 Ca -0.03 -2.64 0.00 0.00 -0.11 0.00 0.00 54.58 51.80 2kiv n ASN 23 Cb 0.11 -0.63 0.00 0.00 1.24 0.00 0.00 39.78 40.50 2kiv n ASN 23 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kiv n GLY 24 N 0.47 3.09 2.71 8.20 0.00 0.24 -0.25 105.19 119.65 2kiv n GLY 24 Ca 0.20 0.00 -0.41 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 -1.16 3.23 0.60 1.61 3.72 0.16 -4.36 117.46 121.26 2kiv n PHE 25 Ca 0.00 -2.88 0.06 0.00 -0.05 0.00 0.00 57.45 54.58 2kiv n PHE 25 Cb 0.00 -2.47 -0.07 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 5.89 0.65 -4.08 4.37 5.68 -1.26 -1.15 116.55 126.65 2kiv n ASP 26 Ca 0.55 -0.79 -0.27 0.00 -0.50 0.00 0.00 54.79 53.78 2kiv n ASP 26 Cb 0.37 1.02 -0.17 0.00 -1.14 0.00 0.00 41.12 41.20 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 -2.27 2.24 0.65 -1.12 3.84 -1.26 -4.32 114.94 112.70 2kiv s ASN 27 Ca 0.05 -0.39 0.40 0.00 0.21 0.00 0.00 52.86 53.13 2kiv s ASN 27 Cb 0.10 -1.02 2.21 0.00 -0.55 0.00 0.00 41.25 41.99 2kiv s ASN 27 CO 0.54 0.06 2.30 0.58 -2.79 0.00 0.00 177.10 177.79 2kiv h VAL 28 N 5.90 0.13 0.00 -5.21 2.07 -1.89 -0.99 116.25 116.26 2kiv h VAL 28 Ca -0.28 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2kiv h VAL 28 Cb 1.20 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2kiv h VAL 28 CO 0.48 0.00 -0.00 1.56 0.02 0.00 0.00 177.57 179.62 2kiv h GLN 29 N 0.00 0.00 -0.00 1.57 1.08 -1.94 -0.96 115.11 114.85 2kiv h GLN 29 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2kiv h GLN 29 Cb 0.08 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2kiv h GLN 29 CO -0.00 0.00 0.02 0.00 -0.95 0.00 0.00 178.83 177.90 2kiv h ALA 30 N 2.00 1.18 -0.11 3.87 0.00 -1.58 -0.68 119.26 123.92 2kiv h ALA 30 Ca -0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2kiv h ALA 30 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2kiv h ALA 30 CO 0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 179.25 179.00 2kiv n MET 31 N -3.30 1.70 -0.05 0.00 -0.00 -0.37 -4.52 117.12 110.59 2kiv n MET 31 Ca -0.03 -3.07 -0.07 0.00 -0.00 0.00 0.00 57.70 54.52 2kiv n MET 31 Cb 0.09 -1.66 -0.07 0.00 -0.00 0.00 0.00 33.22 31.58 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 0.85 -0.03 0.50 3.17 0.00 -1.14 -3.40 103.07 103.02 2kiv h GLY 32 Ca 0.06 0.01 -0.23 0.00 0.00 0.00 0.00 47.33 47.16 2kiv h GLY 32 CO 0.12 -0.01 -1.89 -1.14 0.00 0.00 0.00 176.54 173.62 2kiv n SER 33 N -4.72 0.44 -4.18 0.19 3.41 -1.26 -4.97 113.62 102.53 2kiv n SER 33 Ca -0.05 0.20 -0.16 0.00 -0.26 0.00 0.00 58.87 58.59 2kiv n SER 33 Cb 0.24 0.69 0.03 0.00 -0.26 0.00 0.00 64.21 64.91 2kiv n SER 33 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kiv n ASN 34 N -2.77 1.82 -3.66 4.04 5.15 -1.26 -5.08 115.26 113.49 2kiv n ASN 34 Ca -0.18 -2.24 -0.15 0.00 -0.60 0.00 0.00 54.58 51.41 2kiv n ASN 34 Cb 0.95 -0.23 -0.14 0.00 -0.53 0.00 0.00 39.78 39.83 2kiv n ASN 34 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2kiv s VAL 35 N -1.81 -0.36 0.09 3.44 1.01 -1.26 -4.64 120.40 116.88 2kiv s VAL 35 Ca 0.38 0.31 -0.31 0.00 0.00 0.00 0.00 61.98 62.36 2kiv s VAL 35 Cb -0.03 -0.39 -0.10 0.00 0.00 0.00 0.00 36.38 35.86 2kiv s VAL 35 CO 0.24 0.13 1.87 0.80 0.00 0.00 0.00 175.10 178.14 2kiv n MET 36 N 5.34 2.77 -2.51 2.72 1.56 -1.26 -4.99 117.12 120.75 2kiv n MET 36 Ca -0.06 1.01 -0.17 0.00 -0.27 0.00 0.00 57.70 58.21 2kiv n MET 36 Cb 0.50 -2.91 0.07 0.00 2.15 0.00 0.00 33.22 33.02 2kiv n MET 36 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2kiv n GLU 37 N 6.09 0.47 -0.11 2.12 -0.58 -1.26 -4.78 120.64 122.59 2kiv n GLU 37 Ca 0.19 -2.48 0.02 0.00 -0.42 0.00 0.00 57.16 54.47 2kiv n GLU 37 Cb 0.37 -0.31 0.33 0.00 -0.57 0.00 0.00 31.44 31.26 2kiv n GLU 37 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 2kiv h ASP 38 N -0.10 0.68 0.38 1.62 2.03 -1.98 -0.58 116.42 118.48 2kiv h ASP 38 Ca -0.24 -0.02 -0.01 0.00 -0.73 0.00 0.00 57.03 56.03 2kiv h ASP 38 Cb 1.03 -0.17 -0.03 0.00 -0.83 0.00 0.00 39.33 39.33 2kiv h ASP 38 CO 0.31 0.50 -0.47 1.56 -1.03 0.00 0.00 179.24 180.11 2kiv h GLN 39 N 0.80 -0.84 -0.68 4.15 4.20 -1.99 -1.15 115.11 119.60 2kiv h GLN 39 Ca 0.21 0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.92 2kiv h GLN 39 Cb -0.08 0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 2kiv h GLN 39 CO -0.04 -0.56 0.19 -0.44 -0.67 0.00 0.00 178.83 177.31 2kiv h ASP 40 N -0.87 1.01 -0.46 1.46 5.19 -1.92 -0.40 116.42 120.43 2kiv h ASP 40 Ca -0.05 -0.22 0.09 0.00 -0.62 0.00 0.00 57.03 56.24 2kiv h ASP 40 Cb 0.78 -0.26 -0.10 0.00 0.18 0.00 0.00 39.33 39.93 2kiv h ASP 40 CO -0.10 0.96 -0.22 0.25 -3.12 0.00 0.00 179.24 177.00 2kiv h LEU 41 N 1.00 -0.77 -0.29 1.55 5.85 -0.84 0.25 115.31 122.06 2kiv h LEU 41 Ca 0.22 0.17 -0.20 0.00 0.84 0.00 0.00 57.88 58.91 2kiv h LEU 41 Cb 0.33 0.41 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 2kiv h LEU 41 CO -0.00 -0.25 -0.83 -0.07 -0.34 0.00 0.00 178.44 176.95 2kiv h LEU 42 N -0.13 0.50 -2.20 2.25 4.07 -1.11 -3.08 115.31 115.62 2kiv h LEU 42 Ca 0.22 -0.36 -0.01 0.00 0.08 0.00 0.00 57.88 57.80 2kiv h LEU 42 Cb 0.47 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.05 2kiv h LEU 42 CO -0.54 1.13 -0.05 -0.08 -1.08 0.00 0.00 178.44 177.82 2kiv h GLU 43 N 0.25 0.00 0.00 1.13 4.81 0.12 -3.22 114.58 117.67 2kiv h GLU 43 Ca -0.05 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2kiv h GLU 43 Cb 1.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.81 2kiv h GLU 43 CO 0.14 0.05 -0.00 0.82 -0.73 0.00 0.00 179.01 179.30 2kiv h ILE 44 N 0.00 0.00 0.00 2.32 1.08 -0.46 -3.49 117.51 116.95 2kiv h ILE 44 Ca -0.00 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2kiv h ILE 44 Cb 0.14 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.89 2kiv h ILE 44 CO 0.01 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.08 2kiv n GLY 45 N 0.96 0.00 0.00 5.37 0.00 -1.22 -4.97 105.19 105.34 2kiv n GLY 45 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.32 -0.61 -0.00 -1.25 -4.44 119.36 113.39 2kiv n ILE 46 Ca 0.00 -0.24 0.20 0.00 -0.00 0.00 0.00 62.75 62.71 2kiv n ILE 46 Cb 0.00 0.70 1.09 0.00 -0.00 0.00 0.00 39.64 41.43 2kiv n ILE 46 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 2kiv h LEU 47 N 0.00 0.00 -1.91 1.39 5.85 -1.86 -1.86 115.31 116.92 2kiv h LEU 47 Ca 0.00 0.00 0.25 0.00 0.84 0.00 0.00 57.88 58.97 2kiv h LEU 47 Cb 0.42 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 2kiv h LEU 47 CO 0.00 0.00 0.64 -1.13 -0.34 0.00 0.00 178.44 177.61 2kiv h ASN 48 N 0.00 0.07 -4.92 1.25 -1.24 -1.98 -3.43 115.58 105.34 2kiv h ASN 48 Ca 0.01 0.01 -0.57 0.00 0.71 0.00 0.00 56.30 56.46 2kiv h ASN 48 Cb 0.15 -0.00 -0.12 0.00 0.73 0.00 0.00 38.32 39.08 2kiv h ASN 48 CO -0.00 0.02 -0.47 -1.20 -1.29 0.00 0.00 177.43 174.49 2kiv n SER 49 N -4.32 1.44 -3.28 1.15 7.64 -0.70 -5.05 113.62 110.50 2kiv n SER 49 Ca 0.19 -3.19 -0.38 0.00 1.01 0.00 0.00 58.87 56.50 2kiv n SER 49 Cb 0.92 0.98 -0.01 0.00 -1.01 0.00 0.00 64.21 65.09 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 -0.85 5.24 0.14 0.23 0.00 -1.26 -4.29 105.19 104.40 2kiv n GLY 50 Ca -0.07 -2.15 0.03 0.00 0.00 0.00 0.00 46.02 43.83 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 1.08 0.00 -0.13 1.61 -0.00 -1.26 -4.68 115.22 111.83 2kiv n HIS 51 Ca 0.56 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 58.25 2kiv n HIS 51 Cb 0.31 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.33 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 0.68 0.05 0.07 1.57 3.08 -1.80 -1.00 114.38 117.04 2kiv h ARG 52 Ca 0.00 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2kiv h ARG 52 Cb 0.21 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2kiv h ARG 52 CO 0.00 0.04 -0.11 1.96 -1.07 0.00 0.00 179.97 180.78 2kiv h GLN 53 N 0.06 -0.22 0.13 0.04 4.20 -1.95 0.25 115.11 117.62 2kiv h GLN 53 Ca 0.21 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.95 2kiv h GLN 53 Cb 0.32 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 2kiv h GLN 53 CO -0.40 -0.15 -0.47 0.00 -0.67 0.00 0.00 178.83 177.14 2kiv h ARG 54 N -0.23 -0.66 -0.21 1.46 -0.00 -1.70 0.17 114.38 113.20 2kiv h ARG 54 Ca 0.02 0.05 0.03 0.00 -0.50 0.00 0.00 59.98 59.57 2kiv h ARG 54 Cb 0.24 0.15 -0.01 0.00 0.00 0.00 0.00 29.97 30.35 2kiv h ARG 54 CO -0.06 -0.44 0.14 0.82 0.00 0.00 0.00 179.97 180.43 2kiv h ILE 55 N -0.69 0.98 0.65 2.04 2.04 -1.14 0.32 117.51 121.71 2kiv h ILE 55 Ca -0.01 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 2kiv h ILE 55 Cb 0.68 0.80 0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2kiv h ILE 55 CO -0.24 0.03 -0.31 -0.07 0.00 0.00 0.00 178.15 177.56 2kiv h LEU 56 N 0.16 -0.74 -0.54 1.44 3.38 0.75 0.94 115.31 120.70 2kiv h LEU 56 Ca 0.09 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2kiv h LEU 56 Cb 0.16 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2kiv h LEU 56 CO -0.01 -0.39 0.28 -0.61 0.09 0.00 0.00 178.44 177.80 2kiv h GLN 57 N -1.12 0.76 0.93 1.13 5.75 -0.48 0.19 115.11 122.26 2kiv h GLN 57 Ca -0.09 -0.10 -0.05 0.00 -0.15 0.00 0.00 58.65 58.27 2kiv h GLN 57 Cb 0.71 -0.14 0.01 0.00 1.07 0.00 0.00 27.48 29.12 2kiv h GLN 57 CO 0.15 0.60 -0.45 0.00 -2.65 0.00 0.00 178.83 176.48 2kiv h ALA 58 N 1.12 -1.24 0.00 3.38 0.00 -0.97 -0.69 119.26 120.86 2kiv h ALA 58 Ca 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2kiv h ALA 58 Cb 0.07 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2kiv h ALA 58 CO -0.03 -1.20 -0.07 0.97 0.00 0.00 0.00 179.25 178.92 2kiv h ILE 59 N -1.25 0.78 -0.26 0.00 2.10 -0.78 0.27 117.51 118.37 2kiv h ILE 59 Ca -0.13 -0.26 -0.09 0.00 1.08 0.00 0.00 64.86 65.46 2kiv h ILE 59 Cb 0.95 1.15 -0.01 0.00 -1.09 0.00 0.00 36.82 37.83 2kiv h ILE 59 CO 0.21 0.07 -0.18 -0.61 -1.08 0.00 0.00 178.15 176.56 2kiv h GLN 60 N 0.00 0.58 0.00 2.19 4.15 -0.28 -3.38 115.11 118.36 2kiv h GLN 60 Ca -0.00 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.14 2kiv h GLN 60 Cb 0.15 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.83 2kiv h GLN 60 CO 0.01 0.85 -0.11 -0.07 -1.93 0.00 0.00 178.83 177.59 2kiv h LEU 61 N 0.30 0.00 -3.14 -2.39 -0.00 -0.61 -3.50 115.31 105.97 2kiv h LEU 61 Ca 0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.66 2kiv h LEU 61 Cb 0.71 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.38 2kiv h LEU 61 CO 0.05 0.26 -0.90 -0.11 -0.00 0.00 0.00 178.44 177.74 2kiv n LEU 62 N -3.17 -4.27 -4.59 1.67 7.94 0.90 -4.81 117.00 110.67 2kiv n LEU 62 Ca -0.01 -0.10 -0.42 0.00 -1.11 0.00 0.00 56.01 54.37 2kiv n LEU 62 Cb 0.06 -2.25 -0.03 0.00 0.53 0.00 0.00 43.42 41.73 2kiv n LEU 62 CO 0.02 -0.69 1.48 -2.16 -1.11 0.00 0.00 177.39 174.94 2kiv s PRO 63 N -2.95 3.27 0.03 1.96 0.04 -1.26 -4.84 135.00 131.25 2kiv s PRO 63 Ca 0.25 1.19 0.24 0.00 0.04 0.00 0.00 61.00 62.72 2kiv s PRO 63 Cb -0.04 -4.19 0.30 0.00 0.04 0.00 0.00 34.50 30.62 2kiv s PRO 63 CO 0.84 -1.93 1.26 1.17 0.04 0.00 0.00 177.00 178.38 2kiv n LYS 64 N 8.48 0.12 -0.06 4.56 0.00 -1.26 -4.18 118.16 125.82 2kiv n LYS 64 Ca 0.21 0.01 -0.10 0.00 0.00 0.00 0.00 58.31 58.44 2kiv n LYS 64 Cb 0.48 -1.55 -0.03 0.00 0.00 0.00 0.00 35.03 33.93 2kiv n LYS 64 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 2kiv h MET 65 N 0.00 0.31 0.63 1.64 2.86 -1.99 -3.17 114.93 115.22 2kiv h MET 65 Ca 0.00 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2kiv h MET 65 Cb 0.59 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2kiv h MET 65 CO 0.00 0.21 -0.48 0.00 1.06 0.00 0.00 176.91 177.71 2kiv h ARG 66 N 0.32 -1.03 0.00 1.72 3.08 -2.00 -3.44 114.38 113.03 2kiv h ARG 66 Ca 0.09 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2kiv h ARG 66 Cb -0.03 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2kiv h ARG 66 CO -0.02 -0.69 0.00 -0.35 -1.07 0.00 0.00 179.97 177.85 2kiv n PRO 67 N -5.40 -0.94 -0.03 0.04 -0.04 -1.20 -5.02 135.00 122.41 2kiv n PRO 67 Ca -0.13 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.31 2kiv n PRO 67 Cb 0.46 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.85 2kiv n PRO 67 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2kiv n ILE 68 N -2.43 0.42 -3.55 0.52 -0.00 -1.26 -4.97 119.36 108.09 2kiv n ILE 68 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 62.75 62.43 2kiv n ILE 68 Cb 0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 39.64 39.17 2kiv n ILE 68 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2kiv n GLY 69 N 2.33 1.53 3.68 3.28 0.00 -1.26 -4.93 105.19 109.82 2kiv n GLY 69 Ca -0.10 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 2kiv n GLY 69 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kiv s HIS 70 N 0.00 0.51 0.51 1.61 3.76 -1.26 -4.77 115.29 115.65 2kiv s HIS 70 Ca 0.00 -1.01 0.03 0.00 -0.15 0.00 0.00 55.06 53.93 2kiv s HIS 70 Cb 0.00 0.47 0.03 0.00 1.11 0.00 0.00 32.58 34.19 2kiv s HIS 70 CO 0.00 -1.41 0.26 -0.40 -0.85 0.00 0.00 174.74 172.34 2kiv n ASP 71 N -1.44 2.90 0.00 1.40 5.75 -1.26 -5.16 116.55 118.74 2kiv n ASP 71 Ca -0.05 -2.91 0.00 0.00 -0.01 0.00 0.00 54.79 51.83 2kiv n ASP 71 Cb 0.61 0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 2kiv n ASP 71 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kiv n GLY 72 N -1.12 2.16 3.73 6.12 0.00 -1.26 -5.17 105.19 109.65 2kiv n GLY 72 Ca -0.08 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.92 -0.36 -0.61 4.61 0.00 -1.26 -5.11 121.76 116.12 2kiv s ALA 73 Ca 0.00 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.07 2kiv s ALA 73 Cb 0.00 0.79 0.22 0.00 0.00 0.00 0.00 23.12 24.13 2kiv s ALA 73 CO 0.00 -0.94 0.61 0.72 0.00 0.00 0.00 175.76 176.15 2kiv n HIS 74 N -0.54 2.63 -1.52 0.00 8.25 -1.26 -5.10 115.22 117.67 2kiv n HIS 74 Ca -0.06 -4.06 -0.32 0.00 -0.26 0.00 0.00 57.72 53.02 2kiv n HIS 74 Cb 0.60 -0.48 0.07 0.00 1.12 0.00 0.00 29.99 31.30 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 -1.81 2.54 -0.01 -0.41 0.04 -1.26 -4.99 135.00 129.10 2kiv s PRO 75 Ca 0.34 1.29 0.02 0.00 0.04 0.00 0.00 61.00 62.70 2kiv s PRO 75 Cb 0.09 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2kiv s PRO 75 CO -0.09 -1.44 0.03 2.41 0.04 0.00 0.00 177.00 177.96 2kiv n THR 76 N -2.93 0.07 -4.39 1.26 -1.04 -1.26 -4.91 114.28 101.09 2kiv n THR 76 Ca 0.10 -0.08 -0.20 0.00 -2.04 0.00 0.00 64.05 61.83 2kiv n THR 76 Cb 0.52 -0.18 -0.10 0.00 -1.82 0.00 0.00 70.33 68.75 2kiv n THR 76 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2kiv s SER 77 N -2.75 2.54 0.34 8.00 0.01 -1.26 -4.71 113.70 115.87 2kiv s SER 77 Ca -0.01 -1.15 0.09 0.00 1.31 0.00 0.00 55.95 56.20 2kiv s SER 77 Cb 0.01 -0.13 0.84 0.00 0.21 0.00 0.00 66.02 66.95 2kiv s SER 77 CO 0.10 -0.32 1.80 0.58 0.41 0.00 0.00 173.24 175.81 2kiv h VAL 78 N 2.40 0.70 0.62 3.43 2.07 -1.84 -0.12 116.25 123.51 2kiv h VAL 78 Ca -0.39 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 2kiv h VAL 78 Cb 1.23 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2kiv h VAL 78 CO 0.65 0.12 -0.30 0.00 0.02 0.00 0.00 177.57 178.07 2kiv h ALA 79 N 1.63 -0.97 -0.82 1.67 0.00 -1.92 0.18 119.26 119.02 2kiv h ALA 79 Ca 0.55 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.50 2kiv h ALA 79 Cb 0.98 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2kiv h ALA 79 CO -0.31 -0.91 0.58 1.49 0.00 0.00 0.00 179.25 180.10 2kiv h GLU 80 N -1.03 0.07 0.20 0.00 4.57 -1.87 0.33 114.58 116.86 2kiv h GLU 80 Ca -0.08 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 2kiv h GLU 80 Cb 0.64 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2kiv h GLU 80 CO 0.14 0.05 -0.10 2.35 -1.18 0.00 0.00 179.01 180.27 2kiv h TRP 81 N 0.08 -0.25 -0.58 0.92 7.01 -0.91 -3.29 115.95 118.93 2kiv h TRP 81 Ca 0.40 -0.01 0.17 0.00 2.11 0.00 0.00 58.89 61.56 2kiv h TRP 81 Cb 1.47 0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 28.59 2kiv h TRP 81 CO -0.00 -0.16 0.50 -0.07 -2.79 0.00 0.00 178.44 175.92 2kiv h LEU 82 N -1.07 0.00 -2.30 0.65 3.38 -0.13 0.24 115.31 116.09 2kiv h LEU 82 Ca -0.03 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2kiv h LEU 82 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2kiv h LEU 82 CO 0.05 0.00 0.20 -0.78 0.09 0.00 0.00 178.44 177.99 2kiv h ASP 83 N 0.00 0.00 1.31 -0.43 3.58 -1.01 0.25 116.42 120.12 2kiv h ASP 83 Ca 0.27 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.69 2kiv h ASP 83 Cb 1.27 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.32 2kiv h ASP 83 CO -0.00 0.00 -0.18 -1.28 -2.88 0.00 0.00 179.24 174.90 2kiv h SER 84 N 0.00 0.00 -0.55 2.28 0.87 -0.65 -2.97 113.55 112.52 2kiv h SER 84 Ca 0.06 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.47 2kiv h SER 84 Cb 0.46 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.33 2kiv h SER 84 CO -0.00 0.18 0.19 -0.38 -0.53 0.00 0.00 176.83 176.29 2kiv n ILE 85 N -3.23 2.30 -4.48 2.23 2.08 0.87 -4.90 119.36 114.24 2kiv n ILE 85 Ca 0.01 -1.20 -0.40 0.00 0.56 0.00 0.00 62.75 61.72 2kiv n ILE 85 Cb 0.48 -0.44 -0.08 0.00 -0.75 0.00 0.00 39.64 38.85 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 0.01 -0.76 0.00 0.38 0.28 -1.12 -4.81 120.64 114.62 2kiv n GLU 86 Ca 0.30 0.13 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 2kiv n GLU 86 Cb 1.13 -4.44 0.00 0.00 1.43 0.00 0.00 31.44 29.56 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 -4.14 0.00 0.00 -1.84 4.77 -1.24 -4.99 117.00 109.57 2kiv n LEU 87 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2kiv n LEU 87 Cb 0.50 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2kiv n LEU 87 CO 0.94 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 2kiv n GLY 88 N 3.29 1.61 0.25 -0.72 0.00 -1.26 -4.66 105.19 103.70 2kiv n GLY 88 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -0.05 -0.73 1.61 3.32 -1.96 0.25 116.42 118.86 2kiv h ASP 89 Ca 0.00 0.14 0.17 0.00 0.02 0.00 0.00 57.03 57.36 2kiv h ASP 89 Cb 0.00 0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 2kiv h ASP 89 CO 0.00 -0.04 0.50 1.88 -1.72 0.00 0.00 179.24 179.86 2kiv h TYR 90 N 0.23 0.33 -1.12 4.55 0.05 -1.99 -0.58 116.97 118.44 2kiv h TYR 90 Ca 0.37 0.01 0.31 0.00 0.05 0.00 0.00 58.73 59.47 2kiv h TYR 90 Cb 0.61 -0.10 -0.08 0.00 1.01 0.00 0.00 36.73 38.16 2kiv h TYR 90 CO -0.28 0.12 0.75 1.15 -1.05 0.00 0.00 178.16 178.85 2kiv h THR 91 N 0.27 0.44 0.52 -2.88 2.02 -0.85 0.13 112.91 112.57 2kiv h THR 91 Ca 0.36 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.44 2kiv h THR 91 Cb 1.01 0.20 0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2kiv h THR 91 CO -0.09 0.04 -0.25 0.50 0.37 0.00 0.00 175.52 176.10 2kiv h LYS 92 N 0.22 -0.67 -0.61 6.66 1.63 -1.21 -0.81 116.57 121.78 2kiv h LYS 92 Ca 0.61 0.05 0.03 0.00 -0.85 0.00 0.00 60.65 60.48 2kiv h LYS 92 Cb 1.89 0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 33.63 2kiv h LYS 92 CO -0.21 -0.37 0.37 0.00 -3.45 0.00 0.00 179.45 175.79 2kiv h ALA 93 N -0.57 0.79 -0.28 5.00 0.00 -1.28 -1.20 119.26 121.73 2kiv h ALA 93 Ca -0.07 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2kiv h ALA 93 Cb 0.61 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2kiv h ALA 93 CO 0.12 0.11 0.14 0.74 0.00 0.00 0.00 179.25 180.35 2kiv h PHE 94 N 0.73 0.26 0.92 0.00 -1.00 -1.03 0.16 116.94 116.98 2kiv h PHE 94 Ca 0.24 0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.99 2kiv h PHE 94 Cb 0.03 -0.07 0.01 0.00 3.61 0.00 0.00 35.95 39.52 2kiv h PHE 94 CO -0.06 0.14 -0.45 -0.07 -1.61 0.00 0.00 178.31 176.27 2kiv h LEU 95 N 0.29 -1.06 -2.05 1.54 3.38 -0.77 0.29 115.31 116.93 2kiv h LEU 95 Ca 0.12 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.21 2kiv h LEU 95 Cb 0.04 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2kiv h LEU 95 CO -0.08 -0.75 0.22 0.16 0.09 0.00 0.00 178.44 178.08 2kiv h ILE 96 N -1.24 0.75 0.00 1.22 3.07 -1.17 0.13 117.51 120.27 2kiv h ILE 96 Ca -0.13 0.00 -0.08 0.00 1.55 0.00 0.00 64.86 66.20 2kiv h ILE 96 Cb 0.95 0.84 -0.01 0.00 -0.27 0.00 0.00 36.82 38.33 2kiv h ILE 96 CO 0.21 0.00 -0.40 0.78 -1.05 0.00 0.00 178.15 177.68 2kiv h ASN 97 N 0.00 0.00 0.00 2.16 -0.26 -0.24 -3.47 115.58 113.77 2kiv h ASN 97 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 2kiv h ASN 97 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 2kiv h ASN 97 CO -0.00 0.40 0.00 0.61 -1.06 0.00 0.00 177.43 177.38 2kiv n GLY 98 N 0.27 1.13 3.55 2.83 0.00 0.44 -5.06 105.19 108.34 2kiv n GLY 98 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 2.10 -0.12 1.61 2.02 0.93 -4.71 117.35 117.19 2kiv s TYR 99 Ca 0.00 0.11 0.10 0.00 -0.37 0.00 0.00 57.07 56.91 2kiv s TYR 99 Cb 0.00 -4.42 -0.14 0.00 -0.40 0.00 0.00 41.96 37.00 2kiv s TYR 99 CO 0.00 -2.07 0.03 2.41 -1.57 0.00 0.00 175.55 174.35 2kiv n THR 100 N 6.91 0.80 -3.17 -0.71 -1.04 -1.26 -4.28 114.28 111.53 2kiv n THR 100 Ca 0.19 -0.48 -0.18 0.00 -2.04 0.00 0.00 64.05 61.53 2kiv n THR 100 Cb 0.50 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 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 -4.50 5.44 -0.24 8.00 0.01 -1.26 -4.28 113.70 116.87 2kiv s SER 101 Ca -0.07 -0.55 -0.02 0.00 1.31 0.00 0.00 55.95 56.63 2kiv s SER 101 Cb 0.04 -0.56 -0.15 0.00 0.21 0.00 0.00 66.02 65.56 2kiv s SER 101 CO 0.47 -0.77 -0.24 0.80 0.41 0.00 0.00 173.24 173.91 2kiv n MET 102 N -1.79 0.58 -0.32 12.44 1.56 -1.26 -4.41 117.12 123.91 2kiv n MET 102 Ca 0.07 0.16 0.08 0.00 -0.27 0.00 0.00 57.70 57.74 2kiv n MET 102 Cb 0.60 -1.46 0.24 0.00 2.15 0.00 0.00 33.22 34.75 2kiv n MET 102 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 175.97 174.80 2kiv h ASP 103 N -0.21 0.70 -0.04 6.12 3.32 -1.97 0.19 116.42 124.52 2kiv h ASP 103 Ca -0.56 0.08 0.01 0.00 0.02 0.00 0.00 57.03 56.58 2kiv h ASP 103 Cb 1.76 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 41.27 2kiv h ASP 103 CO -0.16 0.31 0.03 0.17 -1.72 0.00 0.00 179.24 177.88 2kiv h LEU 104 N 0.76 0.00 -2.68 1.55 8.10 -2.00 -0.62 115.31 120.42 2kiv h LEU 104 Ca 0.49 0.00 0.01 0.00 0.11 0.00 0.00 57.88 58.49 2kiv h LEU 104 Cb 0.64 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.86 2kiv h LEU 104 CO -0.33 0.00 0.04 -0.07 -4.11 0.00 0.00 178.44 173.97 2kiv h LEU 105 N 0.00 0.00 -3.47 0.17 3.38 -0.82 0.10 115.31 114.67 2kiv h LEU 105 Ca 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 2kiv h LEU 105 Cb 0.07 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 2kiv h LEU 105 CO -0.00 0.00 0.16 1.17 0.09 0.00 0.00 178.44 179.86 2kiv n LYS 106 N -3.38 3.91 -0.13 1.13 4.81 -0.24 -4.06 118.16 120.20 2kiv n LYS 106 Ca -0.02 -2.84 0.08 0.00 -0.87 0.00 0.00 58.31 54.65 2kiv n LYS 106 Cb 0.12 -2.17 0.11 0.00 0.02 0.00 0.00 35.03 33.11 2kiv n LYS 106 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2kiv n LYS 107 N 0.14 1.16 -4.40 1.64 4.01 0.35 -5.05 118.16 116.02 2kiv n LYS 107 Ca 0.33 -2.29 -0.20 0.00 -0.51 0.00 0.00 58.31 55.64 2kiv n LYS 107 Cb 1.24 -1.32 -0.10 0.00 -0.51 0.00 0.00 35.03 34.34 2kiv n LYS 107 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 2kiv s ILE 108 N -2.35 1.74 0.24 -0.18 -4.36 -1.26 -5.11 121.20 109.92 2kiv s ILE 108 Ca 0.26 -2.18 0.02 0.00 -0.26 0.00 0.00 60.65 58.49 2kiv s ILE 108 Cb 0.22 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.66 2kiv s ILE 108 CO 0.02 -0.41 0.14 0.00 0.24 0.00 0.00 174.94 174.93 2kiv n ALA 109 N -0.52 0.34 0.36 2.27 0.00 -1.26 -4.96 120.51 116.73 2kiv n ALA 109 Ca -0.06 -1.00 -0.17 0.00 0.00 0.00 0.00 53.44 52.20 2kiv n ALA 109 Cb 0.62 0.45 -0.09 0.00 0.00 0.00 0.00 19.45 20.43 2kiv n ALA 109 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kiv h GLU 110 N 0.00 -0.86 -0.79 0.00 4.39 -2.02 -0.75 114.58 114.55 2kiv h GLU 110 Ca -0.16 0.06 0.15 0.00 0.34 0.00 0.00 59.36 59.74 2kiv h GLU 110 Cb 0.57 0.19 -0.10 0.00 -0.10 0.00 0.00 28.75 29.32 2kiv h GLU 110 CO 0.26 -0.55 0.34 -0.24 -1.16 0.00 0.00 179.01 177.67 2kiv h VAL 111 N -0.98 0.66 -0.22 3.13 3.04 -1.97 0.01 116.25 119.92 2kiv h VAL 111 Ca -0.09 -0.17 -0.01 0.00 -1.01 0.00 0.00 66.70 65.42 2kiv h VAL 111 Cb 0.71 0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.11 2kiv h VAL 111 CO 0.15 0.09 0.10 -0.33 -1.01 0.00 0.00 177.57 176.57 2kiv h GLU 112 N 0.48 0.32 -0.65 4.17 4.39 -1.93 0.44 114.58 121.80 2kiv h GLU 112 Ca 0.44 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 60.10 2kiv h GLU 112 Cb 0.67 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 2kiv h GLU 112 CO -0.41 0.35 0.43 1.25 -1.16 0.00 0.00 179.01 179.47 2kiv h LEU 113 N 0.21 0.73 0.00 1.33 5.85 0.05 0.46 115.31 123.94 2kiv h LEU 113 Ca 0.07 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2kiv h LEU 113 Cb 0.14 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2kiv h LEU 113 CO -0.01 0.52 -0.39 0.40 -0.34 0.00 0.00 178.44 178.62 2kiv h ILE 114 N 0.85 0.00 0.00 4.05 2.04 -0.71 0.44 117.51 124.18 2kiv h ILE 114 Ca 0.25 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.20 2kiv h ILE 114 Cb -0.05 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2kiv h ILE 114 CO -0.06 0.00 -0.91 0.59 0.00 0.00 0.00 178.15 177.77 2kiv n ASN 115 N -2.79 0.63 -0.03 1.72 5.03 0.15 -2.93 115.26 117.04 2kiv n ASN 115 Ca 0.03 -0.19 -0.07 0.00 0.87 0.00 0.00 54.58 55.22 2kiv n ASN 115 Cb 0.52 0.65 -0.02 0.00 -1.02 0.00 0.00 39.78 39.91 2kiv n ASN 115 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2kiv n VAL 116 N -1.93 0.61 -0.01 2.41 0.31 0.15 -4.80 118.33 115.07 2kiv n VAL 116 Ca 0.03 -0.01 -0.01 0.00 -0.01 0.00 0.00 64.34 64.34 2kiv n VAL 116 Cb 0.42 -1.64 -0.12 0.00 -0.91 0.00 0.00 33.84 31.59 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 -3.43 0.45 -2.85 7.52 7.99 0.66 -5.00 117.00 122.34 2kiv n LEU 117 Ca -0.12 0.20 -0.15 0.00 -0.01 0.00 0.00 56.01 55.93 2kiv n LEU 117 Cb 0.50 0.18 0.07 0.00 -0.11 0.00 0.00 43.42 44.05 2kiv n LEU 117 CO 0.02 0.21 0.12 1.17 -1.51 0.00 0.00 177.39 177.41 2kiv n LYS 118 N -2.72 -5.43 -2.94 3.23 3.00 0.12 -4.94 118.16 108.49 2kiv n LYS 118 Ca -0.15 0.64 -0.44 0.00 -0.00 0.00 0.00 58.31 58.36 2kiv n LYS 118 Cb 0.87 -5.07 -0.03 0.00 0.00 0.00 0.00 35.03 30.80 2kiv n LYS 118 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2kiv s ILE 119 N -3.26 4.60 -0.16 3.15 1.01 -1.22 -4.80 121.20 120.52 2kiv s ILE 119 Ca 0.17 -1.04 0.11 0.00 0.00 0.00 0.00 60.65 59.88 2kiv s ILE 119 Cb -0.07 -4.69 -0.23 0.00 0.01 0.00 0.00 42.46 37.47 2kiv s ILE 119 CO 0.55 -1.42 0.21 -3.20 0.00 0.00 0.00 174.94 171.08 2kiv n ASN 120 N 6.91 0.84 -4.67 3.58 2.85 -1.26 -4.73 115.26 118.77 2kiv n ASN 120 Ca 0.08 0.11 -0.51 0.00 -0.11 0.00 0.00 54.58 54.15 2kiv n ASN 120 Cb 0.47 0.25 -0.06 0.00 1.24 0.00 0.00 39.78 41.68 2kiv n ASN 120 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2kiv n LEU 121 N -3.00 2.72 -0.01 1.20 7.94 -1.26 -4.87 117.00 119.71 2kiv n LEU 121 Ca -0.31 1.05 -0.09 0.00 -1.11 0.00 0.00 56.01 55.55 2kiv n LEU 121 Cb 1.09 -1.28 -0.03 0.00 0.53 0.00 0.00 43.42 43.72 2kiv n LEU 121 CO 0.40 -0.41 0.79 0.40 -1.11 0.00 0.00 177.39 177.47 2kiv h ILE 122 N 4.57 0.69 0.00 1.96 2.04 -1.91 0.75 117.51 125.60 2kiv h ILE 122 Ca -0.47 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.39 2kiv h ILE 122 Cb 1.29 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 2kiv h ILE 122 CO 0.90 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.66 2kiv n GLY 123 N -1.25 -2.78 0.39 5.37 0.00 0.66 -0.14 105.19 107.44 2kiv n GLY 123 Ca -0.03 0.27 0.19 0.00 0.00 0.00 0.00 46.02 46.45 2kiv n GLY 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2kiv h HIS 124 N 0.00 0.68 0.22 1.61 3.86 -1.77 0.27 115.15 120.01 2kiv h HIS 124 Ca 0.00 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2kiv h HIS 124 Cb 0.00 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.27 2kiv h HIS 124 CO -0.29 0.15 -0.10 -0.09 0.86 0.00 0.00 177.93 178.45 2kiv h ARG 125 N 0.48 -0.28 -0.67 2.45 2.43 -0.20 -1.10 114.38 117.48 2kiv h ARG 125 Ca 0.52 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.79 2kiv h ARG 125 Cb 1.19 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.74 2kiv h ARG 125 CO -0.24 -0.19 0.35 -0.22 -1.51 0.00 0.00 179.97 178.16 2kiv h LYS 126 N -0.31 0.60 0.18 0.20 1.63 -0.20 0.42 116.57 119.09 2kiv h LYS 126 Ca -0.03 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2kiv h LYS 126 Cb 0.22 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.68 2kiv h LYS 126 CO 0.05 0.39 -0.50 0.00 -3.45 0.00 0.00 179.45 175.95 2kiv h ARG 127 N 0.61 -0.73 -0.13 1.90 3.08 -0.50 0.17 114.38 118.78 2kiv h ARG 127 Ca 0.32 0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.43 2kiv h ARG 127 Cb 0.28 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2kiv h ARG 127 CO -0.23 -0.49 0.05 0.82 -1.07 0.00 0.00 179.97 179.05 2kiv h ILE 128 N -0.76 0.98 -0.96 2.04 2.04 -0.94 0.11 117.51 120.02 2kiv h ILE 128 Ca -0.02 -0.04 0.17 0.00 1.00 0.00 0.00 64.86 65.98 2kiv h ILE 128 Cb 0.74 0.85 -0.10 0.00 -0.74 0.00 0.00 36.82 37.56 2kiv h ILE 128 CO -0.23 0.02 0.56 -0.07 0.00 0.00 0.00 178.15 178.43 2kiv h LEU 129 N 0.12 0.71 -0.07 1.44 4.07 -0.63 -0.14 115.31 120.82 2kiv h LEU 129 Ca 0.06 0.09 -0.17 0.00 0.08 0.00 0.00 57.88 57.94 2kiv h LEU 129 Cb 0.02 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 41.74 2kiv h LEU 129 CO -0.05 0.27 -0.62 0.00 -1.08 0.00 0.00 178.44 176.96 2kiv h ALA 130 N 1.62 0.16 -0.67 1.53 0.00 -0.16 -0.86 119.26 120.88 2kiv h ALA 130 Ca 0.54 -0.55 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2kiv h ALA 130 Cb 0.81 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2kiv h ALA 130 CO -0.37 0.43 0.45 1.03 0.00 0.00 0.00 179.25 180.78 2kiv h SER 131 N 0.12 0.53 0.02 0.00 0.87 0.38 -2.82 113.55 112.65 2kiv h SER 131 Ca -0.06 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.41 2kiv h SER 131 Cb 1.28 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2kiv h SER 131 CO 0.12 0.33 -0.50 -0.07 -0.53 0.00 0.00 176.83 176.19 2kiv h LEU 132 N 0.60 0.07 0.00 2.23 3.38 -1.08 -3.50 115.31 117.01 2kiv h LEU 132 Ca 0.30 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2kiv h LEU 132 Cb 0.40 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2kiv h LEU 132 CO -0.10 1.21 0.00 0.61 0.09 0.00 0.00 178.44 180.25 2kiv n GLY 133 N 1.58 3.33 0.07 0.83 0.00 -0.33 -5.02 105.19 105.65 2kiv n GLY 133 Ca -0.17 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 2kiv n GLY 133 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kiv h ASP 134 N 0.00 0.00 0.00 1.61 1.82 -1.79 -3.40 116.42 114.66 2kiv h ASP 134 Ca 0.00 -0.61 0.00 0.00 -0.39 0.00 0.00 57.03 56.03 2kiv h ASP 134 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2kiv h ASP 134 CO 0.00 0.92 0.00 0.54 -1.61 0.00 0.00 179.24 179.09