#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kiv s GLN 2 N 0.00 4.29 -0.04 5.55 1.11 -1.26 -5.07 119.66 124.23 2kiv s GLN 2 Ca 0.00 0.32 0.04 0.00 0.01 0.00 0.00 55.36 55.72 2kiv s GLN 2 Cb 0.00 -3.45 0.00 0.00 -1.01 0.00 0.00 33.01 28.55 2kiv s GLN 2 CO 0.00 0.13 -0.14 0.99 0.01 0.00 0.00 175.29 176.28 2kiv s THR 3 N 0.74 1.23 0.28 -0.19 2.01 -1.26 -4.24 115.64 114.21 2kiv s THR 3 Ca 0.22 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.65 2kiv s THR 3 Cb -0.14 -1.08 0.27 0.00 0.01 0.00 0.00 72.50 71.56 2kiv s THR 3 CO 0.08 0.36 1.75 0.58 -0.69 0.00 0.00 174.62 176.71 2kiv h VAL 4 N 5.41 0.66 -0.36 3.82 2.07 -1.91 -0.80 116.25 125.14 2kiv h VAL 4 Ca -0.32 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.03 2kiv h VAL 4 Cb 1.18 -0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 2kiv h VAL 4 CO 0.48 0.11 0.13 1.23 0.02 0.00 0.00 177.57 179.54 2kiv h GLY 5 N 0.61 0.45 0.70 2.17 0.00 -1.94 0.24 103.07 105.30 2kiv h GLY 5 Ca 0.52 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.75 2kiv h GLY 5 CO -0.41 0.03 -0.23 -1.61 0.00 0.00 0.00 176.54 174.32 2kiv h GLN 6 N 0.28 -0.62 -0.15 4.80 -0.00 -1.65 -0.26 115.11 117.50 2kiv h GLN 6 Ca 0.16 0.04 0.05 0.00 -0.00 0.00 0.00 58.65 58.90 2kiv h GLN 6 Cb 0.13 0.14 -0.06 0.00 0.00 0.00 0.00 27.48 27.69 2kiv h GLN 6 CO -0.16 -0.31 -0.24 2.35 0.00 0.00 0.00 178.83 180.46 2kiv h TRP 7 N -0.95 -0.64 -0.56 3.99 7.01 -1.14 0.60 115.95 124.26 2kiv h TRP 7 Ca -0.07 0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.00 2kiv h TRP 7 Cb 0.59 0.31 -0.04 0.00 -2.10 0.00 0.00 29.16 27.92 2kiv h TRP 7 CO 0.01 -0.32 0.32 1.25 -2.79 0.00 0.00 178.44 176.91 2kiv h LEU 8 N -0.29 0.50 -1.68 0.65 5.85 -0.57 -0.96 115.31 118.81 2kiv h LEU 8 Ca 0.11 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2kiv h LEU 8 Cb 0.46 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2kiv h LEU 8 CO -0.32 0.35 0.17 -0.08 -0.34 0.00 0.00 178.44 178.21 2kiv h GLU 9 N 0.63 0.38 0.23 1.25 4.81 -0.28 0.21 114.58 121.81 2kiv h GLU 9 Ca 0.24 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 2kiv h GLU 9 Cb 0.07 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2kiv h GLU 9 CO -0.13 0.27 -0.11 1.03 -0.73 0.00 0.00 179.01 179.35 2kiv h SER 10 N 0.39 -0.26 0.45 1.04 0.87 0.18 -3.20 113.55 113.01 2kiv h SER 10 Ca 0.10 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 2kiv h SER 10 Cb -0.01 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2kiv h SER 10 CO -0.02 0.24 -0.06 0.16 -0.53 0.00 0.00 176.83 176.63 2kiv h ILE 11 N -0.90 0.26 0.00 2.23 3.07 -1.06 -3.46 117.51 117.66 2kiv h ILE 11 Ca -0.03 -0.39 0.00 0.00 1.55 0.00 0.00 64.86 65.99 2kiv h ILE 11 Cb 0.50 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 38.35 2kiv h ILE 11 CO 0.05 0.06 0.00 0.61 -1.05 0.00 0.00 178.15 177.82 2kiv n GLY 12 N -0.60 0.85 3.32 0.16 0.00 0.73 -5.00 105.19 104.65 2kiv n GLY 12 Ca -0.01 0.36 -0.11 0.00 0.00 0.00 0.00 46.02 46.26 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 0.40 -1.04 0.99 1.43 -1.13 -4.64 118.68 114.68 2kiv s LEU 13 Ca 0.00 -0.24 -0.23 0.00 -1.03 0.00 0.00 54.13 52.63 2kiv s LEU 13 Cb 0.00 1.82 -0.12 0.00 0.03 0.00 0.00 46.19 47.92 2kiv s LEU 13 CO 0.00 -0.81 1.92 -0.81 0.23 0.00 0.00 176.35 176.88 2kiv n PRO 14 N -0.06 1.54 0.00 1.29 -0.04 -1.26 -4.21 135.00 132.25 2kiv n PRO 14 Ca -0.17 -2.25 0.00 0.00 -0.04 0.00 0.00 63.50 61.04 2kiv n PRO 14 Cb 0.63 -3.47 0.00 0.00 -0.04 0.00 0.00 33.50 30.62 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 7.89 1.12 -0.03 0.54 6.02 -1.26 -4.74 117.38 126.92 2kiv n GLN 15 Ca 0.46 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.57 2kiv n GLN 15 Cb 0.45 -0.86 0.11 0.00 1.02 0.00 0.00 30.24 30.95 2kiv n GLN 15 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2kiv n TYR 16 N -1.99 0.07 -0.19 1.08 4.01 -1.26 -4.48 117.16 114.41 2kiv n TYR 16 Ca 0.00 -0.04 -0.00 0.00 -0.16 0.00 0.00 57.90 57.70 2kiv n TYR 16 Cb 0.36 -0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.49 2kiv n TYR 16 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 2kiv h GLU 17 N 4.39 0.25 -0.15 -0.72 4.11 -1.85 -0.73 114.58 119.88 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 0.94 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2kiv h GLU 17 CO 0.00 0.17 0.09 -0.91 0.07 0.00 0.00 179.01 178.43 2kiv h ASN 18 N 0.26 0.19 0.24 3.06 -0.26 -1.94 -1.05 115.58 116.09 2kiv h ASN 18 Ca 0.29 -0.06 0.01 0.00 -0.56 0.00 0.00 56.30 55.98 2kiv h ASN 18 Cb 0.42 -0.05 -0.04 0.00 -1.06 0.00 0.00 38.32 37.60 2kiv h ASN 18 CO -0.37 0.20 -0.41 0.45 -1.06 0.00 0.00 177.43 176.23 2kiv h HIS 19 N 0.16 -1.14 0.27 1.19 3.86 -1.63 0.92 115.15 118.78 2kiv h HIS 19 Ca 0.05 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2kiv h HIS 19 Cb 0.05 0.47 -0.03 0.00 1.06 0.00 0.00 27.41 28.95 2kiv h HIS 19 CO -0.05 -0.53 -0.43 -0.07 0.86 0.00 0.00 177.93 177.71 2kiv h LEU 20 N -0.73 -1.22 -0.22 2.43 4.07 -1.11 0.41 115.31 118.94 2kiv h LEU 20 Ca -0.00 0.12 0.04 0.00 0.08 0.00 0.00 57.88 58.12 2kiv h LEU 20 Cb 0.70 0.43 -0.07 0.00 1.08 0.00 0.00 40.66 42.80 2kiv h LEU 20 CO -0.16 -0.54 -0.50 -0.03 -1.08 0.00 0.00 178.44 176.13 2kiv h MET 21 N -0.76 -0.48 0.00 1.13 4.05 -1.05 0.61 114.93 118.43 2kiv h MET 21 Ca -0.01 0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 2kiv h MET 21 Cb 0.73 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.63 2kiv h MET 21 CO -0.16 -0.32 -0.02 0.00 0.23 0.00 0.00 176.91 176.65 2kiv h ALA 22 N -0.04 1.19 -0.36 0.39 0.00 -0.63 0.29 119.26 120.09 2kiv h ALA 22 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kiv h ALA 22 Cb 0.64 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2kiv h ALA 22 CO -0.48 0.02 0.00 0.09 0.00 0.00 0.00 179.25 178.88 2kiv n ASN 23 N -3.38 2.58 0.00 0.00 4.13 0.14 -4.88 115.26 113.86 2kiv n ASN 23 Ca -0.03 -2.17 0.00 0.00 1.68 0.00 0.00 54.58 54.07 2kiv n ASN 23 Cb 0.11 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 37.98 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 0.86 3.18 2.24 7.41 0.00 0.09 -0.98 105.19 117.98 2kiv n GLY 24 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.57 1.80 0.04 1.61 3.72 0.17 -4.26 117.46 118.98 2kiv n PHE 25 Ca 0.00 -2.68 0.11 0.00 -0.05 0.00 0.00 57.45 54.83 2kiv n PHE 25 Cb 0.00 -2.25 -0.10 0.00 -0.94 0.00 0.00 39.48 36.19 2kiv n PHE 25 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2kiv n ASP 26 N 3.25 0.37 -4.36 4.37 2.03 -1.26 -2.94 116.55 118.02 2kiv n ASP 26 Ca 0.69 0.15 -0.34 0.00 0.52 0.00 0.00 54.79 55.81 2kiv n ASP 26 Cb 0.41 1.29 -0.14 0.00 -0.72 0.00 0.00 41.12 41.96 2kiv n ASP 26 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2kiv s ASN 27 N -4.92 4.23 0.62 1.67 3.04 -1.26 -4.34 114.94 114.00 2kiv s ASN 27 Ca -0.05 -0.33 0.35 0.00 0.04 0.00 0.00 52.86 52.88 2kiv s ASN 27 Cb 0.12 -1.69 2.02 0.00 -1.54 0.00 0.00 41.25 40.16 2kiv s ASN 27 CO 0.86 0.09 2.27 0.58 -3.04 0.00 0.00 177.10 177.85 2kiv h VAL 28 N 5.49 0.31 -0.04 -5.21 2.07 -1.90 -1.03 116.25 115.94 2kiv h VAL 28 Ca -0.33 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.20 2kiv h VAL 28 Cb 1.19 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2kiv h VAL 28 CO 0.59 0.00 0.06 0.06 0.02 0.00 0.00 177.57 178.30 2kiv h GLN 29 N 0.00 0.00 -0.11 1.57 3.07 -1.94 -0.89 115.11 116.82 2kiv h GLN 29 Ca 0.01 0.00 0.03 0.00 0.09 0.00 0.00 58.65 58.78 2kiv h GLN 29 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.65 2kiv h GLN 29 CO -0.00 0.00 0.12 0.00 0.09 0.00 0.00 178.83 179.04 2kiv h ALA 30 N 1.91 1.68 -0.01 0.06 0.00 -1.59 -0.96 119.26 120.37 2kiv h ALA 30 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kiv h ALA 30 Cb 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kiv h ALA 30 CO -0.00 -0.18 -0.32 0.00 0.00 0.00 0.00 179.25 178.75 2kiv n MET 31 N -3.81 1.49 0.13 0.00 0.00 -0.34 -4.61 117.12 109.99 2kiv n MET 31 Ca -0.00 -3.06 -0.24 0.00 0.00 0.00 0.00 57.70 54.40 2kiv n MET 31 Cb 0.23 -1.58 -0.15 0.00 0.00 0.00 0.00 33.22 31.71 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 0.66 0.62 0.25 3.17 0.00 -1.12 -3.36 103.07 103.29 2kiv h GLY 32 Ca 0.00 -1.53 -0.36 0.00 0.00 0.00 0.00 47.33 45.44 2kiv h GLY 32 CO 0.01 1.34 -2.24 -1.26 0.00 0.00 0.00 176.54 174.39 2kiv n SER 33 N -3.77 0.89 -3.80 0.19 2.88 -1.26 -4.84 113.62 103.92 2kiv n SER 33 Ca -0.16 0.07 -0.30 0.00 -1.33 0.00 0.00 58.87 57.15 2kiv n SER 33 Cb 1.07 0.24 -0.15 0.00 -0.75 0.00 0.00 64.21 64.62 2kiv n SER 33 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2kiv s ASN 34 N -6.03 3.82 0.50 -3.46 2.47 -1.26 -5.12 114.94 105.86 2kiv s ASN 34 Ca -0.17 -1.41 -0.21 0.00 0.42 0.00 0.00 52.86 51.49 2kiv s ASN 34 Cb 0.07 -0.93 -0.09 0.00 -1.45 0.00 0.00 41.25 38.85 2kiv s ASN 34 CO 0.77 -0.35 0.82 1.33 -3.72 0.00 0.00 177.10 175.94 2kiv n VAL 35 N 4.81 2.63 -1.36 -5.21 0.24 -1.26 -4.37 118.33 113.81 2kiv n VAL 35 Ca -0.05 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.34 61.38 2kiv n VAL 35 Cb 0.43 -0.95 0.06 0.00 -1.47 0.00 0.00 33.84 31.92 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 -0.14 0.44 -4.24 7.34 1.56 -1.26 -5.01 117.12 115.81 2kiv n MET 36 Ca 0.11 0.19 -0.25 0.00 -0.27 0.00 0.00 57.70 57.49 2kiv n MET 36 Cb 0.43 -1.91 -0.07 0.00 2.15 0.00 0.00 33.22 33.82 2kiv n MET 36 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 2kiv s GLU 37 N -2.73 2.39 0.21 2.12 2.12 -1.26 -4.93 118.70 116.62 2kiv s GLU 37 Ca 0.69 -1.24 -0.09 0.00 0.36 0.00 0.00 54.97 54.68 2kiv s GLU 37 Cb -0.37 -2.28 0.25 0.00 0.26 0.00 0.00 34.13 31.99 2kiv s GLU 37 CO 0.55 0.41 1.79 0.22 -0.54 0.00 0.00 175.26 177.69 2kiv h ASP 38 N 2.26 0.48 -0.97 -1.70 3.58 -1.96 -0.76 116.42 117.34 2kiv h ASP 38 Ca -0.46 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.06 2kiv h ASP 38 Cb 1.23 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 42.18 2kiv h ASP 38 CO 0.59 0.30 0.64 1.56 -2.88 0.00 0.00 179.24 179.45 2kiv h GLN 39 N 0.62 1.22 0.38 0.28 4.20 -1.97 0.73 115.11 120.55 2kiv h GLN 39 Ca 0.30 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 2kiv h GLN 39 Cb 0.24 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2kiv h GLN 39 CO -0.21 0.80 -0.18 -0.44 -0.67 0.00 0.00 178.83 178.13 2kiv h ASP 40 N 1.25 -0.43 -0.82 1.46 3.32 -1.70 0.24 116.42 119.74 2kiv h ASP 40 Ca 0.37 0.01 0.23 0.00 0.02 0.00 0.00 57.03 57.67 2kiv h ASP 40 Cb -0.05 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 2kiv h ASP 40 CO -0.10 -0.19 0.58 0.17 -1.72 0.00 0.00 179.24 177.98 2kiv h LEU 41 N -0.74 0.08 0.06 1.55 8.10 -1.15 0.30 115.31 123.50 2kiv h LEU 41 Ca -0.05 0.01 -0.24 0.00 0.11 0.00 0.00 57.88 57.70 2kiv h LEU 41 Cb 0.39 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 40.58 2kiv h LEU 41 CO 0.08 0.03 -1.16 0.25 -4.11 0.00 0.00 178.44 173.54 2kiv h LEU 42 N 0.08 0.19 -0.67 0.17 5.85 -0.82 -3.29 115.31 116.82 2kiv h LEU 42 Ca 0.40 -0.21 -0.14 0.00 0.84 0.00 0.00 57.88 58.76 2kiv h LEU 42 Cb 1.46 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 2kiv h LEU 42 CO -0.04 1.17 -0.54 -0.08 -0.34 0.00 0.00 178.44 178.61 2kiv h GLU 43 N 0.03 0.34 0.00 1.25 4.81 0.30 -3.35 114.58 117.96 2kiv h GLU 43 Ca -0.08 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2kiv h GLU 43 Cb 1.88 0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.28 2kiv h GLU 43 CO 0.16 0.79 0.00 -0.89 -0.73 0.00 0.00 179.01 178.34 2kiv n ILE 44 N -3.93 0.00 0.00 2.32 5.41 -0.15 -4.96 119.36 118.05 2kiv n ILE 44 Ca -0.02 1.23 0.00 0.00 1.00 0.00 0.00 62.75 64.96 2kiv n ILE 44 Cb 0.58 -2.10 0.00 0.00 -0.71 0.00 0.00 39.64 37.42 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 -0.80 -1.01 3.79 7.39 0.00 -1.25 -5.07 105.19 108.23 2kiv n GLY 45 Ca 0.00 0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 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 3.66 0.02 -0.61 -1.09 -1.26 -4.99 121.20 116.93 2kiv s ILE 46 Ca 0.00 0.85 -0.06 0.00 -2.23 0.00 0.00 60.65 59.21 2kiv s ILE 46 Cb 0.00 -3.35 -0.03 0.00 -1.58 0.00 0.00 42.46 37.51 2kiv s ILE 46 CO 0.00 -0.40 1.10 0.25 -1.23 0.00 0.00 174.94 174.66 2kiv h LEU 47 N 0.67 -0.27 -8.03 2.97 5.85 -2.00 -3.47 115.31 111.03 2kiv h LEU 47 Ca -0.48 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 2kiv h LEU 47 Cb 1.23 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.36 2kiv h LEU 47 CO 0.57 -0.10 0.25 0.20 -0.34 0.00 0.00 178.44 179.02 2kiv s ASN 48 N -2.79 0.07 0.82 1.25 0.01 -1.26 -5.16 114.94 107.87 2kiv s ASN 48 Ca -0.03 -1.19 -0.13 0.00 -0.71 0.00 0.00 52.86 50.80 2kiv s ASN 48 Cb 0.01 0.85 0.06 0.00 0.41 0.00 0.00 41.25 42.58 2kiv s ASN 48 CO 0.11 -1.69 1.03 -1.20 -1.51 0.00 0.00 177.10 173.84 2kiv n SER 49 N -1.45 0.41 0.00 -1.22 7.64 -1.26 -3.67 113.62 114.06 2kiv n SER 49 Ca -0.08 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.36 2kiv n SER 49 Cb 0.60 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 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 0.78 0.26 0.03 0.23 0.00 -1.26 -4.87 105.19 100.35 2kiv n GLY 50 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.69 0.00 0.02 1.61 8.25 -1.24 -4.52 115.22 117.65 2kiv n HIS 51 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 2kiv n HIS 51 Cb 0.00 -0.30 -0.05 0.00 1.12 0.00 0.00 29.99 30.76 2kiv n HIS 51 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kiv h ARG 52 N 0.00 -0.44 -1.00 -0.41 -0.00 -1.90 -0.95 114.38 109.68 2kiv h ARG 52 Ca -0.17 0.03 0.06 0.00 -0.50 0.00 0.00 59.98 59.40 2kiv h ARG 52 Cb 1.38 0.10 -0.06 0.00 0.00 0.00 0.00 29.97 31.39 2kiv h ARG 52 CO 0.01 -0.29 0.65 1.96 0.00 0.00 0.00 179.97 182.30 2kiv h GLN 53 N -0.46 1.17 0.38 0.04 7.50 -1.98 -0.78 115.11 120.98 2kiv h GLN 53 Ca 0.08 -0.07 -0.00 0.00 0.50 0.00 0.00 58.65 59.16 2kiv h GLN 53 Cb 0.59 -0.26 -0.02 0.00 0.05 0.00 0.00 27.48 27.83 2kiv h GLN 53 CO -0.35 0.77 -0.38 -0.09 -1.50 0.00 0.00 178.83 177.28 2kiv h ARG 54 N 1.21 -0.76 -0.89 1.46 9.65 -1.49 0.23 114.38 123.79 2kiv h ARG 54 Ca 0.42 0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.35 2kiv h ARG 54 Cb 0.11 0.17 -0.04 0.00 -1.39 0.00 0.00 29.97 28.82 2kiv h ARG 54 CO -0.15 -0.51 0.55 0.82 2.80 0.00 0.00 179.97 183.48 2kiv h ILE 55 N -0.79 1.24 0.72 1.20 2.04 -0.95 0.81 117.51 121.78 2kiv h ILE 55 Ca -0.03 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 2kiv h ILE 55 Cb 0.71 -0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2kiv h ILE 55 CO -0.07 0.24 -0.34 -0.07 0.00 0.00 0.00 178.15 177.91 2kiv h LEU 56 N 1.22 -0.82 -1.36 1.44 3.38 -0.74 0.27 115.31 118.71 2kiv h LEU 56 Ca 0.32 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.39 2kiv h LEU 56 Cb -0.08 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 2kiv h LEU 56 CO -0.06 -0.54 0.49 -0.61 0.09 0.00 0.00 178.44 177.81 2kiv h GLN 57 N -1.05 0.73 0.21 1.13 4.15 -0.51 0.69 115.11 120.46 2kiv h GLN 57 Ca -0.10 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 2kiv h GLN 57 Cb 0.74 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.27 2kiv h GLN 57 CO 0.16 0.48 -0.10 0.00 -1.93 0.00 0.00 178.83 177.45 2kiv h ALA 58 N 1.60 -0.70 -0.61 3.38 0.00 -0.73 0.24 119.26 122.44 2kiv h ALA 58 Ca 0.33 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.36 2kiv h ALA 58 Cb 0.32 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2kiv h ALA 58 CO -0.12 -0.68 0.51 0.97 0.00 0.00 0.00 179.25 179.93 2kiv h ILE 59 N -0.41 0.52 0.06 0.00 2.10 -0.39 0.33 117.51 119.72 2kiv h ILE 59 Ca -0.03 0.00 -0.25 0.00 1.08 0.00 0.00 64.86 65.66 2kiv h ILE 59 Cb 0.22 0.63 -0.02 0.00 -1.09 0.00 0.00 36.82 36.56 2kiv h ILE 59 CO 0.05 0.00 -1.23 1.56 -1.08 0.00 0.00 178.15 177.45 2kiv h GLN 60 N 0.00 0.12 0.00 2.19 4.20 -0.84 -3.26 115.11 117.52 2kiv h GLN 60 Ca 0.29 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2kiv h GLN 60 Cb 1.30 0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.16 2kiv h GLN 60 CO -0.00 1.03 -0.16 1.25 -0.67 0.00 0.00 178.83 180.28 2kiv h LEU 61 N 0.03 0.00 -8.39 1.46 5.85 0.30 -3.46 115.31 111.11 2kiv h LEU 61 Ca -0.11 -0.03 -0.65 0.00 0.84 0.00 0.00 57.88 57.93 2kiv h LEU 61 Cb 1.90 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.90 2kiv h LEU 61 CO 0.15 0.01 1.46 0.18 -0.34 0.00 0.00 178.44 179.91 2kiv n LEU 62 N -2.59 1.70 -4.39 2.25 4.77 0.67 -4.79 117.00 114.62 2kiv n LEU 62 Ca 0.04 0.34 -0.31 0.00 -0.03 0.00 0.00 56.01 56.05 2kiv n LEU 62 Cb 0.48 -1.19 -0.06 0.00 -2.33 0.00 0.00 43.42 40.32 2kiv n LEU 62 CO 0.33 -0.82 1.62 -0.81 -1.33 0.00 0.00 177.39 176.39 2kiv n PRO 63 N 8.20 1.57 0.00 3.23 -0.04 -1.26 -4.35 135.00 142.35 2kiv n PRO 63 Ca 0.46 -2.34 0.00 0.00 -0.04 0.00 0.00 63.50 61.58 2kiv n PRO 63 Cb 0.19 -3.57 0.00 0.00 -0.04 0.00 0.00 33.50 30.08 2kiv n PRO 63 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2kiv n LYS 64 N 8.03 0.39 -3.32 0.54 0.00 -1.26 -5.03 118.16 117.52 2kiv n LYS 64 Ca 0.46 -0.64 -0.39 0.00 -0.00 0.00 0.00 58.31 57.74 2kiv n LYS 64 Cb 0.45 -0.81 -0.08 0.00 -0.00 0.00 0.00 35.03 34.60 2kiv n LYS 64 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2kiv s MET 65 N -0.25 4.12 0.06 -1.58 -1.94 -1.26 -5.04 119.30 113.41 2kiv s MET 65 Ca 0.00 0.25 -0.00 0.00 -1.71 0.00 0.00 55.69 54.23 2kiv s MET 65 Cb 0.00 -3.60 -0.04 0.00 2.01 0.00 0.00 34.83 33.21 2kiv s MET 65 CO 0.00 -0.19 -0.04 1.03 -0.01 0.00 0.00 175.02 175.81 2kiv s ARG 66 N 1.79 0.64 0.18 2.03 1.81 -1.26 -5.06 118.95 119.08 2kiv s ARG 66 Ca 0.20 -1.18 -0.07 0.00 -1.72 0.00 0.00 55.73 52.96 2kiv s ARG 66 Cb -0.15 0.07 0.07 0.00 -0.45 0.00 0.00 34.95 34.49 2kiv s ARG 66 CO 0.09 -0.07 1.52 -1.00 -0.68 0.00 0.00 175.30 175.16 2kiv h PRO 67 N 3.29 0.78 0.00 3.54 0.13 -2.06 -2.94 132.00 134.74 2kiv h PRO 67 Ca -0.34 -0.41 -0.02 0.00 -0.87 0.00 0.00 66.00 64.36 2kiv h PRO 67 Cb 1.16 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kiv h PRO 67 CO 0.62 1.03 -0.11 0.82 -0.23 0.00 0.00 178.00 180.14 2kiv h ILE 68 N 0.63 0.31 0.00 -3.56 1.08 -2.02 -3.34 117.51 110.61 2kiv h ILE 68 Ca 0.05 -0.71 -0.62 0.00 -0.39 0.00 0.00 64.86 63.19 2kiv h ILE 68 Cb 0.96 1.54 0.01 0.00 -3.07 0.00 0.00 36.82 36.26 2kiv h ILE 68 CO 0.09 0.10 3.11 0.61 -0.69 0.00 0.00 178.15 181.37 2kiv n GLY 69 N -0.13 3.78 0.48 5.37 0.00 -1.11 -4.36 105.19 109.22 2kiv n GLY 69 Ca -0.00 -1.36 0.07 0.00 0.00 0.00 0.00 46.02 44.73 2kiv n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kiv n HIS 70 N 5.20 0.00 -2.71 1.61 8.25 -1.26 -4.86 115.22 121.45 2kiv n HIS 70 Ca 0.58 -1.29 -0.40 0.00 -0.26 0.00 0.00 57.72 56.36 2kiv n HIS 70 Cb 0.29 -0.21 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 2kiv n HIS 70 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 2kiv s ASP 71 N -3.04 7.57 0.00 0.41 -4.77 -1.26 -5.05 116.67 110.53 2kiv s ASP 71 Ca 0.35 1.99 0.00 0.00 -3.30 0.00 0.00 52.55 51.59 2kiv s ASP 71 Cb 0.34 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 39.56 2kiv s ASP 71 CO -0.04 0.10 0.00 0.61 0.70 0.00 0.00 175.17 176.54 2kiv n GLY 72 N 1.38 6.27 3.16 2.12 0.00 -1.26 -5.18 105.19 111.69 2kiv n GLY 72 Ca -0.02 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 2kiv n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kiv s ALA 73 N -2.00 1.02 -0.41 4.61 0.00 -1.26 -5.10 121.76 118.61 2kiv s ALA 73 Ca 0.00 -1.18 0.07 0.00 0.00 0.00 0.00 51.96 50.85 2kiv s ALA 73 Cb 0.00 0.07 0.24 0.00 0.00 0.00 0.00 23.12 23.43 2kiv s ALA 73 CO 0.00 -0.09 0.57 0.72 0.00 0.00 0.00 175.76 176.96 2kiv n HIS 74 N 0.49 -0.94 -1.15 0.00 8.25 -1.26 -5.14 115.22 115.48 2kiv n HIS 74 Ca -0.16 -3.22 -0.29 0.00 -0.26 0.00 0.00 57.72 53.80 2kiv n HIS 74 Cb 0.58 0.03 0.19 0.00 1.12 0.00 0.00 29.99 31.91 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 -0.77 0.02 -0.07 -0.41 0.04 -1.26 -5.01 135.00 127.54 2kiv s PRO 75 Ca 0.34 0.38 0.09 0.00 0.04 0.00 0.00 61.00 61.85 2kiv s PRO 75 Cb 0.17 -1.70 -0.13 0.00 0.04 0.00 0.00 34.50 32.88 2kiv s PRO 75 CO -0.14 -2.97 0.09 2.41 0.04 0.00 0.00 177.00 176.43 2kiv n THR 76 N -4.32 0.46 -4.05 1.26 -1.04 -1.26 -4.96 114.28 100.36 2kiv n THR 76 Ca 0.06 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.05 61.58 2kiv n THR 76 Cb 0.58 -0.45 -0.03 0.00 -1.82 0.00 0.00 70.33 68.61 2kiv n THR 76 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2kiv s SER 77 N -3.87 0.79 0.39 8.00 0.15 -1.26 -4.88 113.70 113.01 2kiv s SER 77 Ca -0.04 -1.43 0.10 0.00 0.70 0.00 0.00 55.95 55.28 2kiv s SER 77 Cb 0.04 0.68 0.89 0.00 -1.71 0.00 0.00 66.02 65.92 2kiv s SER 77 CO 0.40 -1.34 1.94 0.58 1.20 0.00 0.00 173.24 176.02 2kiv h VAL 78 N 2.10 0.90 0.00 4.45 2.07 -1.85 -0.11 116.25 123.81 2kiv h VAL 78 Ca -0.29 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2kiv h VAL 78 Cb 1.24 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2kiv h VAL 78 CO 0.39 0.11 0.00 0.00 0.02 0.00 0.00 177.57 178.09 2kiv n ALA 79 N -2.48 -0.31 -0.15 1.67 0.00 -1.26 -0.99 120.51 116.99 2kiv n ALA 79 Ca 0.13 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.77 2kiv n ALA 79 Cb 0.38 0.02 0.60 0.00 0.00 0.00 0.00 19.45 20.45 2kiv n ALA 79 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2kiv h GLU 80 N 0.00 0.21 0.68 0.00 4.57 -1.96 -0.14 114.58 117.94 2kiv h GLU 80 Ca 0.00 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2kiv h GLU 80 Cb 0.00 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.55 2kiv h GLU 80 CO 0.00 0.14 -0.33 2.35 -1.18 0.00 0.00 179.01 179.99 2kiv h TRP 81 N 0.22 -0.85 0.00 0.92 7.01 -0.89 -2.77 115.95 119.59 2kiv h TRP 81 Ca 0.39 -0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.31 2kiv h TRP 81 Cb 1.19 0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 28.52 2kiv h TRP 81 CO -0.00 -0.52 -0.25 -0.07 -2.79 0.00 0.00 178.44 174.81 2kiv h LEU 82 N -0.95 0.00 -2.07 0.65 3.38 -0.28 -2.41 115.31 113.64 2kiv h LEU 82 Ca -0.09 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.94 2kiv h LEU 82 Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2kiv h LEU 82 CO 0.15 0.25 0.17 -0.78 0.09 0.00 0.00 178.44 178.33 2kiv h ASP 83 N 0.00 0.00 -0.42 -0.43 3.58 -0.71 0.26 116.42 118.70 2kiv h ASP 83 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kiv h ASP 83 Cb 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2kiv h ASP 83 CO 0.03 0.00 0.00 -1.20 -2.88 0.00 0.00 179.24 175.19 2kiv n SER 84 N -4.30 3.18 -1.09 2.28 7.64 -0.90 -3.88 113.62 116.55 2kiv n SER 84 Ca 0.02 -2.27 0.05 0.00 1.01 0.00 0.00 58.87 57.68 2kiv n SER 84 Cb 0.31 -0.45 0.10 0.00 -1.01 0.00 0.00 64.21 63.16 2kiv n SER 84 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2kiv n ILE 85 N 0.64 0.96 -3.19 0.44 5.41 0.88 -4.97 119.36 119.53 2kiv n ILE 85 Ca 0.16 -1.97 -0.22 0.00 1.00 0.00 0.00 62.75 61.72 2kiv n ILE 85 Cb 0.60 0.45 0.01 0.00 -0.71 0.00 0.00 39.64 40.00 2kiv n ILE 85 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2kiv n GLU 86 N -0.21 -3.84 -3.82 0.38 2.13 -1.22 -4.95 120.64 109.10 2kiv n GLU 86 Ca 0.12 0.63 -0.12 0.00 0.66 0.00 0.00 57.16 58.44 2kiv n GLU 86 Cb 0.94 -5.39 -0.12 0.00 0.27 0.00 0.00 31.44 27.15 2kiv n GLU 86 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2kiv s LEU 87 N -6.50 1.40 0.00 4.31 1.43 -0.96 -5.04 118.68 113.31 2kiv s LEU 87 Ca 0.34 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 2kiv s LEU 87 Cb -0.17 0.56 0.00 0.00 0.03 0.00 0.00 46.19 46.61 2kiv s LEU 87 CO 0.42 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.53 2kiv n GLY 88 N 2.87 0.00 0.36 -3.19 0.00 -1.26 -2.45 105.19 101.51 2kiv n GLY 88 Ca -0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 0.31 -0.66 1.61 3.32 -1.98 -0.38 116.42 118.64 2kiv h ASP 89 Ca 0.00 0.01 0.19 0.00 0.02 0.00 0.00 57.03 57.25 2kiv h ASP 89 Cb 0.01 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 2kiv h ASP 89 CO 0.00 0.19 0.51 1.88 -1.72 0.00 0.00 179.24 180.10 2kiv h TYR 90 N 0.35 0.00 -1.06 4.55 0.05 -2.00 -0.61 116.97 118.25 2kiv h TYR 90 Ca 0.27 0.00 0.28 0.00 0.05 0.00 0.00 58.73 59.33 2kiv h TYR 90 Cb 0.61 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.24 2kiv h TYR 90 CO -0.00 0.00 0.67 1.15 -1.05 0.00 0.00 178.16 178.93 2kiv h THR 91 N 0.00 0.48 0.63 -2.88 2.02 -1.39 0.67 112.91 112.44 2kiv h THR 91 Ca 0.32 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.33 2kiv h THR 91 Cb 1.33 0.06 0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2kiv h THR 91 CO -0.00 0.07 -0.30 0.50 0.37 0.00 0.00 175.52 176.15 2kiv h LYS 92 N 0.39 -0.82 -0.31 6.66 3.64 -1.31 -0.13 116.57 124.69 2kiv h LYS 92 Ca 0.63 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 60.13 2kiv h LYS 92 Cb 1.57 0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 33.51 2kiv h LYS 92 CO -0.34 -0.55 -0.08 0.00 -2.27 0.00 0.00 179.45 176.21 2kiv h ALA 93 N -1.50 0.20 -0.45 5.00 0.00 -1.50 0.44 119.26 121.45 2kiv h ALA 93 Ca -0.09 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2kiv h ALA 93 Cb 0.65 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 2kiv h ALA 93 CO 0.14 -0.47 0.12 0.74 0.00 0.00 0.00 179.25 179.79 2kiv h PHE 94 N -0.01 0.20 0.82 0.00 -1.00 -0.93 0.30 116.94 116.33 2kiv h PHE 94 Ca 0.15 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.92 2kiv h PHE 94 Cb 0.24 -0.02 0.01 0.00 3.61 0.00 0.00 35.95 39.78 2kiv h PHE 94 CO -0.30 0.04 -0.39 -0.07 -1.61 0.00 0.00 178.31 175.98 2kiv h LEU 95 N 0.27 -0.93 -2.27 1.54 3.38 -0.31 0.14 115.31 117.13 2kiv h LEU 95 Ca 0.22 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.26 2kiv h LEU 95 Cb 0.25 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2kiv h LEU 95 CO -0.26 -0.63 0.23 0.16 0.09 0.00 0.00 178.44 178.03 2kiv h ILE 96 N -1.17 0.27 0.00 1.22 3.07 -0.81 0.25 117.51 120.35 2kiv h ILE 96 Ca -0.11 0.00 -0.11 0.00 1.55 0.00 0.00 64.86 66.19 2kiv h ILE 96 Cb 0.84 0.80 -0.02 0.00 -0.27 0.00 0.00 36.82 38.18 2kiv h ILE 96 CO 0.18 0.00 -0.50 0.78 -1.05 0.00 0.00 178.15 177.56 2kiv h ASN 97 N 0.00 0.00 0.00 2.16 2.35 0.00 -3.47 115.58 116.62 2kiv h ASN 97 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2kiv h ASN 97 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2kiv h ASN 97 CO -0.00 0.50 0.00 0.61 -1.65 0.00 0.00 177.43 176.89 2kiv n GLY 98 N 0.75 1.43 3.47 2.83 0.00 0.88 -5.07 105.19 109.48 2kiv n GLY 98 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 2.70 -0.11 1.61 2.02 0.41 -4.75 117.35 117.23 2kiv s TYR 99 Ca 0.00 -0.66 0.04 0.00 -0.37 0.00 0.00 57.07 56.07 2kiv s TYR 99 Cb 0.00 -4.35 -0.09 0.00 -0.40 0.00 0.00 41.96 37.12 2kiv s TYR 99 CO 0.00 -1.68 -0.05 2.41 -1.57 0.00 0.00 175.55 174.66 2kiv n THR 100 N 5.95 0.67 -4.66 -0.71 -1.04 -1.26 -4.29 114.28 108.95 2kiv n THR 100 Ca 0.04 -0.32 -0.34 0.00 -2.04 0.00 0.00 64.05 61.40 2kiv n THR 100 Cb 0.47 -0.86 -0.12 0.00 -1.82 0.00 0.00 70.33 68.00 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 -4.77 4.51 0.27 8.00 0.01 -1.26 -4.45 113.70 116.01 2kiv s SER 101 Ca -0.12 -0.09 -0.00 0.00 1.31 0.00 0.00 55.95 57.06 2kiv s SER 101 Cb 0.04 -1.22 0.56 0.00 0.21 0.00 0.00 66.02 65.61 2kiv s SER 101 CO 0.32 0.32 1.76 -0.03 0.41 0.00 0.00 173.24 176.02 2kiv h MET 102 N 5.54 0.59 -1.00 12.44 4.05 -1.94 0.19 114.93 134.79 2kiv h MET 102 Ca -0.44 -0.04 0.21 0.00 -0.28 0.00 0.00 59.70 59.15 2kiv h MET 102 Cb 1.17 -0.13 -0.11 0.00 -0.80 0.00 0.00 31.60 31.73 2kiv h MET 102 CO 0.53 0.39 0.61 -0.44 0.23 0.00 0.00 176.91 178.23 2kiv h ASP 103 N 0.61 0.72 -0.64 1.39 3.32 -1.99 0.27 116.42 120.10 2kiv h ASP 103 Ca 0.48 0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.68 2kiv h ASP 103 Cb 0.70 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 2kiv h ASP 103 CO -0.38 0.20 0.42 -0.07 -1.72 0.00 0.00 179.24 177.70 2kiv h LEU 104 N 0.67 0.63 -2.32 1.55 3.38 -1.37 0.32 115.31 118.18 2kiv h LEU 104 Ca 0.60 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.57 2kiv h LEU 104 Cb 1.05 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2kiv h LEU 104 CO -0.41 0.43 -0.00 -0.07 0.09 0.00 0.00 178.44 178.48 2kiv h LEU 105 N 0.73 0.00 -2.85 1.67 3.38 -0.48 -0.62 115.31 117.13 2kiv h LEU 105 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2kiv h LEU 105 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2kiv h LEU 105 CO -0.07 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.63 2kiv n LYS 106 N -3.09 3.03 -0.49 1.13 3.00 0.09 -4.15 118.16 117.68 2kiv n LYS 106 Ca -0.01 -2.75 0.06 0.00 -0.00 0.00 0.00 58.31 55.61 2kiv n LYS 106 Cb 0.17 -1.67 0.23 0.00 0.00 0.00 0.00 35.03 33.76 2kiv n LYS 106 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2kiv n LYS 107 N 1.53 2.49 -4.24 1.64 4.81 -0.24 -5.00 118.16 119.16 2kiv n LYS 107 Ca 0.25 -2.89 -0.15 0.00 -0.87 0.00 0.00 58.31 54.65 2kiv n LYS 107 Cb 0.71 -1.81 -0.10 0.00 0.02 0.00 0.00 35.03 33.85 2kiv n LYS 107 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 2kiv s ILE 108 N -2.94 1.18 0.53 3.15 -4.36 -1.26 -5.08 121.20 112.43 2kiv s ILE 108 Ca 0.42 -1.92 0.07 0.00 -0.26 0.00 0.00 60.65 58.96 2kiv s ILE 108 Cb 0.35 -1.69 0.04 0.00 1.25 0.00 0.00 42.46 42.41 2kiv s ILE 108 CO 0.06 -0.64 0.52 0.00 0.24 0.00 0.00 174.94 175.12 2kiv s ALA 109 N -2.90 4.46 0.08 2.27 0.00 -1.26 -4.94 121.76 119.47 2kiv s ALA 109 Ca 0.13 -1.64 -0.26 0.00 0.00 0.00 0.00 51.96 50.20 2kiv s ALA 109 Cb -0.00 -1.01 -0.11 0.00 0.00 0.00 0.00 23.12 22.00 2kiv s ALA 109 CO 0.01 -0.53 1.41 1.49 0.00 0.00 0.00 175.76 178.14 2kiv h GLU 110 N 0.62 -0.53 -0.77 0.00 4.81 -2.02 0.57 114.58 117.25 2kiv h GLU 110 Ca -0.35 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.06 2kiv h GLU 110 Cb 1.29 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 30.70 2kiv h GLU 110 CO 0.52 -0.36 0.33 -0.24 -0.73 0.00 0.00 179.01 178.53 2kiv h VAL 111 N -0.55 0.66 -0.58 0.32 3.04 -1.98 0.14 116.25 117.30 2kiv h VAL 111 Ca -0.00 -0.16 0.02 0.00 -1.01 0.00 0.00 66.70 65.55 2kiv h VAL 111 Cb 0.56 0.15 -0.03 0.00 -2.01 0.00 0.00 31.29 29.96 2kiv h VAL 111 CO -0.23 0.09 0.39 -0.33 -1.01 0.00 0.00 177.57 176.48 2kiv h GLU 112 N 0.47 0.70 0.03 4.17 4.39 -1.77 0.38 114.58 122.95 2kiv h GLU 112 Ca 0.43 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.08 2kiv h GLU 112 Cb 0.65 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2kiv h GLU 112 CO -0.40 0.46 -0.01 1.25 -1.16 0.00 0.00 179.01 179.15 2kiv h LEU 113 N 0.72 -0.04 -0.90 1.33 5.85 0.15 0.27 115.31 122.70 2kiv h LEU 113 Ca 0.23 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2kiv h LEU 113 Cb 0.03 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2kiv h LEU 113 CO -0.06 0.52 0.00 0.40 -0.34 0.00 0.00 178.44 178.97 2kiv h ILE 114 N -0.61 0.00 0.01 4.05 2.04 -0.89 0.33 117.51 122.44 2kiv h ILE 114 Ca -0.00 -0.32 -0.33 0.00 1.00 0.00 0.00 64.86 65.20 2kiv h ILE 114 Cb 0.56 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 2kiv h ILE 114 CO 0.01 0.00 -2.04 0.59 0.00 0.00 0.00 178.15 176.71 2kiv n ASN 115 N -2.49 0.78 -0.07 1.72 4.13 0.13 -3.26 115.26 116.21 2kiv n ASN 115 Ca 0.02 0.20 -0.05 0.00 1.68 0.00 0.00 54.58 56.43 2kiv n ASN 115 Cb 0.26 0.20 -0.02 0.00 -1.54 0.00 0.00 39.78 38.68 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 -3.00 1.28 0.18 2.41 0.31 0.95 -4.46 118.33 116.00 2kiv n VAL 116 Ca -0.26 0.23 0.04 0.00 -0.01 0.00 0.00 64.34 64.34 2kiv n VAL 116 Cb 1.09 -2.29 0.34 0.00 -0.91 0.00 0.00 33.84 32.07 2kiv n VAL 116 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2kiv h LEU 117 N -0.89 0.00 -1.12 7.52 -0.00 -0.52 -3.47 115.31 116.82 2kiv h LEU 117 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.88 57.46 2kiv h LEU 117 Cb 0.57 0.00 0.06 0.00 -0.00 0.00 0.00 40.66 41.29 2kiv h LEU 117 CO 0.00 0.40 -0.74 1.17 -0.00 0.00 0.00 178.44 179.26 2kiv n LYS 118 N -3.69 -6.46 0.19 1.13 3.00 -0.93 -4.92 118.16 106.48 2kiv n LYS 118 Ca -0.01 0.71 -0.12 0.00 -0.00 0.00 0.00 58.31 58.90 2kiv n LYS 118 Cb 0.49 -5.63 -0.07 0.00 0.00 0.00 0.00 35.03 29.82 2kiv n LYS 118 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2kiv h ILE 119 N -2.27 0.36 -6.32 3.15 2.04 -1.77 -3.48 117.51 109.24 2kiv h ILE 119 Ca -0.58 -0.63 -0.47 0.00 1.00 0.00 0.00 64.86 64.18 2kiv h ILE 119 Cb 1.37 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 2kiv h ILE 119 CO 0.60 0.08 -0.83 -3.20 0.00 0.00 0.00 178.15 174.79 2kiv n ASN 120 N -5.16 -2.00 -3.57 1.72 2.85 -1.26 -4.97 115.26 102.87 2kiv n ASN 120 Ca -0.09 -0.88 -0.11 0.00 -0.11 0.00 0.00 54.58 53.38 2kiv n ASN 120 Cb 0.28 -3.61 -0.11 0.00 1.24 0.00 0.00 39.78 37.58 2kiv n ASN 120 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2kiv s LEU 121 N -6.96 -0.46 0.19 1.20 2.96 -1.26 -5.04 118.68 109.30 2kiv s LEU 121 Ca 0.23 0.54 -0.14 0.00 -0.22 0.00 0.00 54.13 54.54 2kiv s LEU 121 Cb -0.12 0.96 0.18 0.00 0.50 0.00 0.00 46.19 47.71 2kiv s LEU 121 CO 0.85 -0.26 1.67 0.40 -1.32 0.00 0.00 176.35 177.68 2kiv h ILE 122 N 6.23 0.55 0.00 6.68 2.04 -1.93 0.24 117.51 131.31 2kiv h ILE 122 Ca -0.16 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2kiv h ILE 122 Cb 1.13 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2kiv h ILE 122 CO 0.18 0.01 0.00 0.61 0.00 0.00 0.00 178.15 178.95 2kiv n GLY 123 N -1.34 -2.98 0.40 5.37 0.00 -0.15 -0.14 105.19 106.35 2kiv n GLY 123 Ca 0.05 0.32 0.19 0.00 0.00 0.00 0.00 46.02 46.58 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 0.53 0.64 1.61 3.86 -1.77 -0.74 115.15 119.28 2kiv h HIS 124 Ca 0.00 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 2kiv h HIS 124 Cb 0.00 -0.16 0.01 0.00 1.06 0.00 0.00 27.41 28.31 2kiv h HIS 124 CO -0.20 0.14 -0.32 -0.09 0.86 0.00 0.00 177.93 178.32 2kiv h ARG 125 N 0.40 -0.84 -0.92 2.45 2.43 -0.00 -1.29 114.38 116.60 2kiv h ARG 125 Ca 0.47 0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.79 2kiv h ARG 125 Cb 1.18 0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 30.84 2kiv h ARG 125 CO -0.17 -0.56 0.56 -0.22 -1.51 0.00 0.00 179.97 178.07 2kiv h LYS 126 N -0.87 0.90 0.38 0.20 1.63 -0.04 0.23 116.57 118.99 2kiv h LYS 126 Ca -0.09 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.65 2kiv h LYS 126 Cb 0.68 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 2kiv h LYS 126 CO 0.14 0.60 -0.43 0.00 -3.45 0.00 0.00 179.45 176.30 2kiv h ARG 127 N 0.93 -0.79 -0.29 1.90 2.47 -1.03 0.13 114.38 117.69 2kiv h ARG 127 Ca 0.44 0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 59.21 2kiv h ARG 127 Cb 0.38 0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 2kiv h ARG 127 CO -0.24 -0.53 0.15 0.82 0.56 0.00 0.00 179.97 180.73 2kiv h ILE 128 N -0.82 1.14 -0.86 2.04 2.04 -0.96 -0.39 117.51 119.70 2kiv h ILE 128 Ca -0.05 -0.39 0.16 0.00 1.00 0.00 0.00 64.86 65.58 2kiv h ILE 128 Cb 0.72 0.86 -0.10 0.00 -0.74 0.00 0.00 36.82 37.57 2kiv h ILE 128 CO -0.08 0.14 0.44 0.25 0.00 0.00 0.00 178.15 178.90 2kiv h LEU 129 N 0.35 0.52 -0.22 1.44 5.85 -0.42 -0.22 115.31 122.60 2kiv h LEU 129 Ca 0.10 0.10 -0.22 0.00 0.84 0.00 0.00 57.88 58.70 2kiv h LEU 129 Cb 0.09 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.15 2kiv h LEU 129 CO -0.01 0.20 -0.81 0.00 -0.34 0.00 0.00 178.44 177.47 2kiv h ALA 130 N 1.58 0.39 -1.00 1.25 0.00 -0.43 -0.66 119.26 120.39 2kiv h ALA 130 Ca 0.48 -0.63 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2kiv h ALA 130 Cb 0.72 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2kiv h ALA 130 CO -0.38 0.72 0.66 0.66 0.00 0.00 0.00 179.25 180.91 2kiv h SER 131 N 0.41 1.12 0.04 0.00 4.64 0.46 -3.07 113.55 117.14 2kiv h SER 131 Ca -0.06 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.18 2kiv h SER 131 Cb 1.43 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2kiv h SER 131 CO 0.16 0.78 -0.32 -0.07 -0.87 0.00 0.00 176.83 176.51 2kiv h LEU 132 N 1.31 0.12 -1.58 5.97 3.38 -1.12 -3.50 115.31 119.89 2kiv h LEU 132 Ca 0.38 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2kiv h LEU 132 Cb -0.07 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2kiv h LEU 132 CO -0.10 1.14 0.00 0.61 0.09 0.00 0.00 178.44 180.18 2kiv n GLY 133 N 1.62 0.53 0.44 0.83 0.00 -0.26 -5.00 105.19 103.35 2kiv n GLY 133 Ca -0.13 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.33 -0.01 1.61 3.58 -1.90 -3.51 116.42 114.86 2kiv h ASP 134 Ca 0.00 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2kiv h ASP 134 Cb 0.73 0.49 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2kiv h ASP 134 CO 0.00 -0.52 0.00 -2.11 -2.88 0.00 0.00 179.24 173.73