#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 1.21 -0.05 5.55 1.11 -1.26 -5.05 119.66 121.18 2kiv s GLN 2 Ca 0.00 1.52 -0.02 0.00 0.01 0.00 0.00 55.36 56.87 2kiv s GLN 2 Cb 0.00 -1.75 0.03 0.00 -1.01 0.00 0.00 33.01 30.28 2kiv s GLN 2 CO 0.00 -2.48 0.09 0.99 0.01 0.00 0.00 175.29 173.89 2kiv s THR 3 N -2.65 -0.08 0.43 -0.19 2.01 -1.26 -4.60 115.64 109.29 2kiv s THR 3 Ca 0.66 0.25 0.20 0.00 0.31 0.00 0.00 61.69 63.11 2kiv s THR 3 Cb -0.22 -0.17 0.40 0.00 0.01 0.00 0.00 72.50 72.52 2kiv s THR 3 CO 0.57 0.10 1.84 0.58 -0.69 0.00 0.00 174.62 177.02 2kiv h VAL 4 N 6.24 0.62 0.74 3.82 2.07 -1.90 -1.09 116.25 126.75 2kiv h VAL 4 Ca -0.37 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 2kiv h VAL 4 Cb 1.13 0.24 0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2kiv h VAL 4 CO 0.38 0.06 -0.36 1.23 0.02 0.00 0.00 177.57 178.91 2kiv h GLY 5 N 0.35 -1.04 0.96 2.17 0.00 -1.92 0.26 103.07 103.85 2kiv h GLY 5 Ca 0.50 0.39 -0.00 0.00 0.00 0.00 0.00 47.33 48.21 2kiv h GLY 5 CO -0.18 -0.38 0.08 -1.61 0.00 0.00 0.00 176.54 174.44 2kiv h GLN 6 N -1.01 0.17 0.75 4.80 4.15 -1.80 0.11 115.11 122.28 2kiv h GLN 6 Ca -0.10 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.27 2kiv h GLN 6 Cb 0.77 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.42 2kiv h GLN 6 CO 0.17 0.16 -0.47 2.35 -1.93 0.00 0.00 178.83 179.11 2kiv h TRP 7 N 0.13 -1.25 -0.53 3.99 7.01 -1.22 0.17 115.95 124.26 2kiv h TRP 7 Ca 0.05 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.14 2kiv h TRP 7 Cb 0.04 0.45 -0.03 0.00 -2.10 0.00 0.00 29.16 27.52 2kiv h TRP 7 CO -0.05 -0.69 0.36 1.25 -2.79 0.00 0.00 178.44 176.52 2kiv h LEU 8 N -1.14 0.21 -0.62 0.65 5.85 -0.48 0.72 115.31 120.50 2kiv h LEU 8 Ca -0.10 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.48 2kiv h LEU 8 Cb 0.91 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2kiv h LEU 8 CO 0.10 0.13 -0.65 -0.08 -0.34 0.00 0.00 178.44 177.59 2kiv h GLU 9 N 0.24 0.16 -0.03 1.25 4.81 -0.30 0.37 114.58 121.08 2kiv h GLU 9 Ca 0.25 -0.12 -0.26 0.00 -0.13 0.00 0.00 59.36 59.10 2kiv h GLU 9 Cb 0.66 0.02 0.02 0.00 0.63 0.00 0.00 28.75 30.08 2kiv h GLU 9 CO -0.05 0.75 -0.99 1.03 -0.73 0.00 0.00 179.01 179.03 2kiv h SER 10 N 0.11 0.89 1.40 1.04 0.87 0.16 -3.25 113.55 114.77 2kiv h SER 10 Ca -0.01 -0.69 -0.02 0.00 -1.23 0.00 0.00 61.79 59.84 2kiv h SER 10 Cb 1.17 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.85 2kiv h SER 10 CO 0.10 1.49 -0.60 0.16 -0.53 0.00 0.00 176.83 177.44 2kiv h ILE 11 N 0.41 0.08 0.00 2.23 3.07 -1.17 -3.49 117.51 118.64 2kiv h ILE 11 Ca -0.11 -1.12 0.00 0.00 1.55 0.00 0.00 64.86 65.17 2kiv h ILE 11 Cb 1.64 1.78 0.00 0.00 -0.27 0.00 0.00 36.82 39.96 2kiv h ILE 11 CO 0.19 0.04 0.00 0.61 -1.05 0.00 0.00 178.15 177.95 2kiv n GLY 12 N 1.16 3.03 3.24 0.16 0.00 0.13 -4.88 105.19 108.03 2kiv n GLY 12 Ca 0.01 0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 2.46 0.00 0.99 2.01 -1.14 -4.46 118.68 118.54 2kiv s LEU 13 Ca 0.00 -0.90 0.15 0.00 0.01 0.00 0.00 54.13 53.39 2kiv s LEU 13 Cb 0.00 -0.42 0.75 0.00 0.01 0.00 0.00 46.19 46.53 2kiv s LEU 13 CO 0.00 -0.25 1.41 -0.81 1.01 0.00 0.00 176.35 177.71 2kiv n PRO 14 N 0.20 0.21 -0.01 1.29 -0.04 -1.26 -3.31 135.00 132.08 2kiv n PRO 14 Ca -0.13 0.15 0.23 0.00 -0.04 0.00 0.00 63.50 63.71 2kiv n PRO 14 Cb 0.59 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.27 2kiv n PRO 14 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2kiv h GLN 15 N 0.00 0.00 0.00 0.54 7.50 -1.96 0.17 115.11 121.37 2kiv h GLN 15 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2kiv h GLN 15 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.67 2kiv h GLN 15 CO 0.00 0.00 -1.02 0.66 -1.50 0.00 0.00 178.83 176.97 2kiv n TYR 16 N -3.93 0.00 0.08 2.96 4.01 -1.21 -4.63 117.16 114.45 2kiv n TYR 16 Ca 0.12 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.70 2kiv n TYR 16 Cb 0.76 -0.12 -0.09 0.00 -0.31 0.00 0.00 39.34 39.58 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 -0.66 -0.90 -0.72 4.22 -0.80 0.06 114.58 115.79 2kiv h GLU 17 Ca 0.00 0.04 0.17 0.00 0.08 0.00 0.00 59.36 59.66 2kiv h GLU 17 Cb 0.44 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 29.74 2kiv h GLU 17 CO 0.00 -0.44 0.47 -0.91 -2.18 0.00 0.00 179.01 175.96 2kiv h ASN 18 N -0.68 0.56 0.72 1.04 -0.26 -1.82 -1.04 115.58 114.10 2kiv h ASN 18 Ca 0.02 0.11 -0.04 0.00 -0.56 0.00 0.00 56.30 55.83 2kiv h ASN 18 Cb 0.72 0.02 0.01 0.00 -1.06 0.00 0.00 38.32 38.01 2kiv h ASN 18 CO -0.32 0.19 -0.35 0.45 -1.06 0.00 0.00 177.43 176.34 2kiv h HIS 19 N 0.61 -0.92 0.01 1.19 3.86 -1.53 -0.56 115.15 117.82 2kiv h HIS 19 Ca 0.51 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.73 2kiv h HIS 19 Cb 0.80 0.30 -0.05 0.00 1.06 0.00 0.00 27.41 29.52 2kiv h HIS 19 CO -0.08 -0.57 -0.43 -0.07 0.86 0.00 0.00 177.93 177.65 2kiv h LEU 20 N -0.98 -1.29 0.06 2.43 4.07 -0.31 0.49 115.31 119.78 2kiv h LEU 20 Ca -0.10 0.15 0.02 0.00 0.08 0.00 0.00 57.88 58.03 2kiv h LEU 20 Cb 0.75 0.50 -0.05 0.00 1.08 0.00 0.00 40.66 42.94 2kiv h LEU 20 CO 0.16 -0.47 -0.52 0.24 -1.08 0.00 0.00 178.44 176.77 2kiv h MET 21 N -0.59 -0.67 0.00 1.13 2.86 -0.79 0.49 114.93 117.36 2kiv h MET 21 Ca 0.04 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2kiv h MET 21 Cb 0.66 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.47 2kiv h MET 21 CO -0.31 -0.45 0.01 0.00 1.06 0.00 0.00 176.91 177.22 2kiv h ALA 22 N -0.51 1.01 -0.40 6.32 0.00 -0.85 0.91 119.26 125.74 2kiv h ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kiv h ALA 22 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2kiv h ALA 22 CO -0.32 -0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.02 2kiv n ASN 23 N -2.96 3.67 0.00 0.00 4.13 0.17 -4.87 115.26 115.40 2kiv n ASN 23 Ca -0.03 -2.45 0.00 0.00 1.68 0.00 0.00 54.58 53.78 2kiv n ASN 23 Cb 0.07 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.77 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 0.61 3.09 2.48 7.41 0.00 0.31 -1.24 105.19 117.86 2kiv n GLY 24 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.14 2.82 -0.04 1.61 3.72 0.14 -4.38 117.46 120.20 2kiv n PHE 25 Ca 0.00 -3.03 -0.04 0.00 -0.05 0.00 0.00 57.45 54.34 2kiv n PHE 25 Cb 0.00 -2.45 -0.14 0.00 -0.94 0.00 0.00 39.48 35.95 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 4.31 0.36 -4.50 4.37 5.75 -1.26 -2.30 116.55 123.28 2kiv n ASP 26 Ca 0.67 0.16 -0.36 0.00 -0.01 0.00 0.00 54.79 55.25 2kiv n ASP 26 Cb 0.29 0.79 -0.12 0.00 -1.03 0.00 0.00 41.12 41.05 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 -5.49 5.28 0.61 -1.12 3.84 -1.26 -4.07 114.94 112.73 2kiv s ASN 27 Ca -0.07 -0.13 0.29 0.00 0.21 0.00 0.00 52.86 53.16 2kiv s ASN 27 Cb 0.08 -1.94 1.51 0.00 -0.55 0.00 0.00 41.25 40.36 2kiv s ASN 27 CO 0.84 0.01 1.90 0.58 -2.79 0.00 0.00 177.10 177.64 2kiv h VAL 28 N 5.38 0.25 -0.97 -5.21 2.07 -1.89 -0.39 116.25 115.49 2kiv h VAL 28 Ca -0.37 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.29 2kiv h VAL 28 Cb 1.18 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 31.50 2kiv h VAL 28 CO 0.60 0.00 0.61 1.56 0.02 0.00 0.00 177.57 180.36 2kiv h GLN 29 N 0.00 0.84 0.00 1.57 1.08 -1.93 0.34 115.11 117.01 2kiv h GLN 29 Ca 0.14 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2kiv h GLN 29 Cb 1.00 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 2kiv h GLN 29 CO -0.00 0.55 0.07 0.00 -0.95 0.00 0.00 178.83 178.51 2kiv h ALA 30 N 1.58 1.07 -0.01 3.87 0.00 -1.47 0.53 119.26 124.83 2kiv h ALA 30 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2kiv h ALA 30 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2kiv h ALA 30 CO -0.27 -0.07 -0.30 -1.33 0.00 0.00 0.00 179.25 177.28 2kiv n MET 31 N -3.03 2.44 -0.10 0.00 2.81 0.10 -4.56 117.12 114.78 2kiv n MET 31 Ca -0.03 -0.46 0.26 0.00 -1.81 0.00 0.00 57.70 55.66 2kiv n MET 31 Cb 0.14 -1.08 0.72 0.00 -0.71 0.00 0.00 33.22 32.29 2kiv n MET 31 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2kiv h GLY 32 N 2.38 0.00 -0.69 3.03 0.00 0.90 -3.42 103.07 105.27 2kiv h GLY 32 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 2kiv h GLY 32 CO 0.00 0.00 -0.09 1.44 0.00 0.00 0.00 176.54 177.89 2kiv n SER 33 N -4.06 1.49 -1.14 0.19 7.64 -1.26 -4.96 113.62 111.53 2kiv n SER 33 Ca 0.15 -1.91 0.05 0.00 1.01 0.00 0.00 58.87 58.17 2kiv n SER 33 Cb 0.88 -0.13 0.22 0.00 -1.01 0.00 0.00 64.21 64.17 2kiv n SER 33 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2kiv n ASN 34 N -2.31 3.26 -0.18 6.43 3.02 -1.26 -4.27 115.26 119.94 2kiv n ASN 34 Ca 0.04 -2.37 0.01 0.00 -0.03 0.00 0.00 54.58 52.23 2kiv n ASN 34 Cb 0.33 -0.51 0.26 0.00 -0.61 0.00 0.00 39.78 39.25 2kiv n ASN 34 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2kiv h VAL 35 N 2.32 1.19 -4.17 2.41 3.04 -1.89 -3.43 116.25 115.71 2kiv h VAL 35 Ca 0.00 -0.38 -0.52 0.00 -1.01 0.00 0.00 66.70 64.79 2kiv h VAL 35 Cb 1.11 0.19 0.20 0.00 -2.01 0.00 0.00 31.29 30.78 2kiv h VAL 35 CO 0.20 0.19 0.15 0.23 -1.01 0.00 0.00 177.57 177.32 2kiv n MET 36 N -4.41 -0.39 -3.84 4.17 2.00 -1.26 -5.03 117.12 108.36 2kiv n MET 36 Ca 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 57.70 57.70 2kiv n MET 36 Cb 0.05 -2.33 0.01 0.00 0.00 0.00 0.00 33.22 30.95 2kiv n MET 36 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2kiv s GLU 37 N -4.48 1.20 0.31 0.03 2.12 -1.26 -5.03 118.70 111.58 2kiv s GLU 37 Ca 0.67 -0.74 -0.00 0.00 0.36 0.00 0.00 54.97 55.25 2kiv s GLU 37 Cb -0.23 0.35 0.51 0.00 0.26 0.00 0.00 34.13 35.02 2kiv s GLU 37 CO 0.58 -0.56 1.95 0.22 -0.54 0.00 0.00 175.26 176.91 2kiv h ASP 38 N 2.00 0.90 -0.52 -1.70 3.58 -1.97 -1.19 116.42 117.52 2kiv h ASP 38 Ca -0.27 -0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.25 2kiv h ASP 38 Cb 1.22 -0.21 -0.06 0.00 1.72 0.00 0.00 39.33 42.00 2kiv h ASP 38 CO 0.33 0.62 0.16 1.56 -2.88 0.00 0.00 179.24 179.03 2kiv h GLN 39 N 1.05 0.32 0.30 0.28 7.50 -1.98 0.26 115.11 122.84 2kiv h GLN 39 Ca 0.33 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.45 2kiv h GLN 39 Cb 0.03 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.49 2kiv h GLN 39 CO -0.10 0.21 -0.15 -0.44 -1.50 0.00 0.00 178.83 176.85 2kiv h ASP 40 N 0.33 -0.35 -0.71 1.46 3.32 -1.82 0.31 116.42 118.95 2kiv h ASP 40 Ca 0.26 -0.16 0.21 0.00 0.02 0.00 0.00 57.03 57.36 2kiv h ASP 40 Cb 0.31 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 2kiv h ASP 40 CO -0.28 0.13 0.59 0.17 -1.72 0.00 0.00 179.24 178.12 2kiv h LEU 41 N -0.99 0.00 0.16 1.55 8.10 -1.12 0.12 115.31 123.14 2kiv h LEU 41 Ca -0.04 0.00 -0.34 0.00 0.11 0.00 0.00 57.88 57.60 2kiv h LEU 41 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.70 2kiv h LEU 41 CO 0.07 0.00 -1.74 0.25 -4.11 0.00 0.00 178.44 172.91 2kiv h LEU 42 N 0.00 0.54 -1.75 0.17 5.85 -0.46 -3.22 115.31 116.43 2kiv h LEU 42 Ca 0.34 -0.84 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 2kiv h LEU 42 Cb 1.52 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 2kiv h LEU 42 CO -0.00 1.71 -0.15 -0.08 -0.34 0.00 0.00 178.44 179.58 2kiv h GLU 43 N 0.09 0.00 0.00 1.25 4.81 0.14 -3.31 114.58 117.56 2kiv h GLU 43 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2kiv h GLU 43 Cb 2.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.46 2kiv h GLU 43 CO 0.16 0.15 0.00 -0.89 -0.73 0.00 0.00 179.01 177.70 2kiv n ILE 44 N -3.65 0.00 0.00 2.32 5.41 0.03 -4.97 119.36 118.50 2kiv n ILE 44 Ca -0.02 0.84 0.00 0.00 1.00 0.00 0.00 62.75 64.57 2kiv n ILE 44 Cb 0.27 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.58 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 0.37 0.00 1.75 7.39 0.00 -1.25 -5.04 105.19 108.41 2kiv n GLY 45 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 2.25 0.30 -0.61 -0.00 -1.22 -4.78 119.36 115.30 2kiv n ILE 46 Ca 0.00 -3.76 0.18 0.00 -0.00 0.00 0.00 62.75 59.17 2kiv n ILE 46 Cb 0.00 -0.63 1.01 0.00 -0.00 0.00 0.00 39.64 40.03 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 1.90 0.00 -8.52 1.39 5.85 -1.81 -3.42 115.31 110.70 2kiv h LEU 47 Ca 0.21 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.41 2kiv h LEU 47 Cb 1.40 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 2kiv h LEU 47 CO 0.51 0.00 1.60 0.59 -0.34 0.00 0.00 178.44 180.80 2kiv n ASN 48 N -3.52 2.00 -4.66 1.25 4.13 -1.26 -4.87 115.26 108.33 2kiv n ASN 48 Ca -0.02 -0.11 -0.43 0.00 1.68 0.00 0.00 54.58 55.69 2kiv n ASN 48 Cb 0.13 -1.39 -0.01 0.00 -1.54 0.00 0.00 39.78 36.96 2kiv n ASN 48 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2kiv n SER 49 N 13.17 2.34 0.00 6.41 3.41 -1.26 -3.53 113.62 134.15 2kiv n SER 49 Ca 0.43 1.19 0.00 0.00 -0.26 0.00 0.00 58.87 60.23 2kiv n SER 49 Cb 0.37 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.90 2kiv n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kiv n GLY 50 N 1.07 1.26 0.00 5.00 0.00 -1.26 -4.89 105.19 106.36 2kiv n GLY 50 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 2kiv n GLY 50 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kiv n HIS 51 N 0.00 0.00 0.10 1.61 -0.00 -1.23 -4.59 115.22 111.11 2kiv n HIS 51 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.56 2kiv n HIS 51 Cb 0.00 -0.09 -0.10 0.00 -0.00 0.00 0.00 29.99 29.80 2kiv n HIS 51 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kiv h ARG 52 N 0.00 -0.71 -0.71 1.57 -0.00 -1.82 -0.14 114.38 112.58 2kiv h ARG 52 Ca 0.00 0.05 0.03 0.00 -0.50 0.00 0.00 59.98 59.56 2kiv h ARG 52 Cb 0.19 0.16 -0.04 0.00 0.00 0.00 0.00 29.97 30.29 2kiv h ARG 52 CO 0.00 -0.47 0.47 1.96 0.00 0.00 0.00 179.97 181.92 2kiv h GLN 53 N -0.74 0.84 0.69 0.04 1.08 -1.97 -0.95 115.11 114.10 2kiv h GLN 53 Ca -0.00 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 2kiv h GLN 53 Cb 0.75 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 2kiv h GLN 53 CO -0.30 0.56 -0.47 -0.09 -0.95 0.00 0.00 178.83 177.57 2kiv h ARG 54 N 0.87 -1.06 0.34 1.46 9.65 -1.53 0.30 114.38 124.41 2kiv h ARG 54 Ca 0.28 0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.22 2kiv h ARG 54 Cb 0.03 0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 28.85 2kiv h ARG 54 CO -0.08 -0.71 -0.20 0.82 2.80 0.00 0.00 179.97 182.61 2kiv h ILE 55 N -1.10 0.58 0.13 1.20 2.04 -0.89 0.15 117.51 119.61 2kiv h ILE 55 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2kiv h ILE 55 Cb 0.90 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 2kiv h ILE 55 CO 0.06 0.00 -0.28 -0.07 0.00 0.00 0.00 178.15 177.86 2kiv h LEU 56 N -0.51 -0.82 -1.09 1.44 3.38 -1.16 0.27 115.31 116.81 2kiv h LEU 56 Ca -0.04 0.08 0.22 0.00 0.09 0.00 0.00 57.88 58.23 2kiv h LEU 56 Cb 0.42 0.29 -0.11 0.00 0.09 0.00 0.00 40.66 41.35 2kiv h LEU 56 CO 0.05 -0.32 0.62 -0.61 0.09 0.00 0.00 178.44 178.26 2kiv h GLN 57 N -0.45 0.60 0.30 1.13 4.15 -0.41 0.56 115.11 121.00 2kiv h GLN 57 Ca -0.01 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2kiv h GLN 57 Cb 0.43 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.98 2kiv h GLN 57 CO -0.12 0.40 -0.15 0.00 -1.93 0.00 0.00 178.83 177.04 2kiv h ALA 58 N 1.67 -0.41 -0.97 3.38 0.00 -0.18 0.37 119.26 123.11 2kiv h ALA 58 Ca 0.60 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.40 2kiv h ALA 58 Cb 1.12 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 2kiv h ALA 58 CO -0.39 -0.64 0.64 0.82 0.00 0.00 0.00 179.25 179.68 2kiv h ILE 59 N -0.58 1.16 0.00 0.00 2.04 0.66 0.37 117.51 121.15 2kiv h ILE 59 Ca -0.04 -0.42 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 2kiv h ILE 59 Cb 0.42 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 2kiv h ILE 59 CO 0.07 0.22 -0.30 0.06 0.00 0.00 0.00 178.15 178.20 2kiv h GLN 60 N 1.22 0.00 0.00 2.37 -0.00 -0.82 -3.07 115.11 114.81 2kiv h GLN 60 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.04 2kiv h GLN 60 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.50 2kiv h GLN 60 CO -0.12 0.30 -0.75 1.25 -0.00 0.00 0.00 178.83 179.51 2kiv h LEU 61 N 0.00 0.00 -9.56 0.06 5.85 0.11 -3.48 115.31 108.29 2kiv h LEU 61 Ca -0.00 -0.04 -0.55 0.00 0.84 0.00 0.00 57.88 58.13 2kiv h LEU 61 Cb 1.04 0.00 0.21 0.00 0.37 0.00 0.00 40.66 42.28 2kiv h LEU 61 CO 0.04 0.02 -0.79 0.18 -0.34 0.00 0.00 178.44 177.55 2kiv n LEU 62 N -2.63 -1.16 0.00 2.25 4.77 0.12 -4.97 117.00 115.37 2kiv n LEU 62 Ca 0.01 0.40 -0.28 0.00 -0.03 0.00 0.00 56.01 56.11 2kiv n LEU 62 Cb 0.52 -1.11 0.24 0.00 -2.33 0.00 0.00 43.42 40.74 2kiv n LEU 62 CO 0.38 -3.99 0.57 -0.81 -1.33 0.00 0.00 177.39 172.22 2kiv n PRO 63 N -0.46 -3.03 -3.20 3.23 -0.04 -1.26 -5.05 135.00 125.19 2kiv n PRO 63 Ca 0.06 -1.65 0.01 0.00 -0.04 0.00 0.00 63.50 61.88 2kiv n PRO 63 Cb 0.53 -1.54 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 2kiv n PRO 63 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kiv s LYS 64 N -5.34 0.72 0.25 0.54 1.02 -1.26 -5.02 119.74 110.65 2kiv s LYS 64 Ca 0.67 -0.02 0.05 0.00 0.02 0.00 0.00 55.97 56.69 2kiv s LYS 64 Cb -0.07 0.10 -0.05 0.00 -0.52 0.00 0.00 37.83 37.29 2kiv s LYS 64 CO 0.51 -1.14 -0.02 -1.64 -0.92 0.00 0.00 175.35 172.14 2kiv s MET 65 N 2.16 1.42 0.82 1.68 -1.94 -1.26 -5.14 119.30 117.04 2kiv s MET 65 Ca 0.14 -1.72 -0.13 0.00 -1.71 0.00 0.00 55.69 52.27 2kiv s MET 65 Cb -0.07 -0.80 0.08 0.00 2.01 0.00 0.00 34.83 36.06 2kiv s MET 65 CO -0.14 -0.06 1.15 2.89 -0.01 0.00 0.00 175.02 178.86 2kiv n ARG 66 N -0.48 0.11 -1.11 2.03 1.85 -1.26 -5.00 116.66 112.80 2kiv n ARG 66 Ca -0.05 0.11 -0.30 0.00 -1.00 0.00 0.00 57.85 56.62 2kiv n ARG 66 Cb 0.64 -2.40 0.22 0.00 -1.05 0.00 0.00 32.46 29.88 2kiv n ARG 66 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2kiv s PRO 67 N -4.10 -0.80 0.13 2.89 0.04 -1.26 -5.08 135.00 126.82 2kiv s PRO 67 Ca 0.72 0.08 0.10 0.00 0.04 0.00 0.00 61.00 61.93 2kiv s PRO 67 Cb -0.29 -1.63 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 2kiv s PRO 67 CO 0.52 -3.46 -0.23 0.96 0.04 0.00 0.00 177.00 174.83 2kiv s ILE 68 N -3.00 1.99 0.00 0.56 -5.25 -1.26 -5.05 121.20 109.19 2kiv s ILE 68 Ca 0.69 -1.72 0.00 0.00 -0.99 0.00 0.00 60.65 58.64 2kiv s ILE 68 Cb -0.12 -1.81 0.00 0.00 2.95 0.00 0.00 42.46 43.48 2kiv s ILE 68 CO 0.56 -0.05 0.00 0.61 -1.79 0.00 0.00 174.94 174.28 2kiv n GLY 69 N 0.84 0.64 2.91 6.27 0.00 -1.26 -4.94 105.19 109.65 2kiv n GLY 69 Ca -0.17 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 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 0.19 0.04 1.61 3.76 -1.26 -5.16 115.29 114.47 2kiv s HIS 70 Ca 0.00 -0.10 -0.07 0.00 -0.15 0.00 0.00 55.06 54.74 2kiv s HIS 70 Cb 0.00 -0.12 -0.01 0.00 1.11 0.00 0.00 32.58 33.56 2kiv s HIS 70 CO 0.00 -0.02 0.14 0.16 -0.85 0.00 0.00 174.74 174.16 2kiv s ASP 71 N -0.24 0.13 -0.36 1.40 -4.77 -1.26 -5.11 116.67 106.46 2kiv s ASP 71 Ca -0.01 -0.49 -0.04 0.00 -3.30 0.00 0.00 52.55 48.71 2kiv s ASP 71 Cb -0.02 0.26 0.24 0.00 -1.09 0.00 0.00 42.92 42.31 2kiv s ASP 71 CO -0.00 -0.55 1.12 0.61 0.70 0.00 0.00 175.17 177.05 2kiv n GLY 72 N 0.65 -1.54 2.92 2.12 0.00 -1.26 -5.16 105.19 102.92 2kiv n GLY 72 Ca -0.18 1.06 -0.15 0.00 0.00 0.00 0.00 46.02 46.75 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 0.63 0.29 -0.04 4.61 0.00 -1.26 -5.15 121.76 120.84 2kiv s ALA 73 Ca 0.25 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.16 2kiv s ALA 73 Cb 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 2kiv s ALA 73 CO -0.10 0.06 -0.22 -1.58 0.00 0.00 0.00 175.76 173.91 2kiv s HIS 74 N 0.04 2.48 -1.09 0.00 2.46 -1.26 -5.05 115.29 112.87 2kiv s HIS 74 Ca -0.00 -0.43 -0.23 0.00 0.47 0.00 0.00 55.06 54.86 2kiv s HIS 74 Cb -0.03 -1.57 -0.07 0.00 -0.13 0.00 0.00 32.58 30.77 2kiv s HIS 74 CO -0.00 -0.02 1.94 -1.25 -2.47 0.00 0.00 174.74 172.93 2kiv s PRO 75 N -0.50 2.51 -0.19 2.88 0.04 -1.26 -4.66 135.00 133.82 2kiv s PRO 75 Ca 0.06 -0.87 -0.10 0.00 0.04 0.00 0.00 61.00 60.13 2kiv s PRO 75 Cb -0.11 -5.18 -0.21 0.00 0.04 0.00 0.00 34.50 29.04 2kiv s PRO 75 CO 0.01 -3.79 0.14 2.41 0.04 0.00 0.00 177.00 175.80 2kiv n THR 76 N 7.83 1.64 -4.20 1.26 -1.04 -1.26 -4.97 114.28 113.54 2kiv n THR 76 Ca 0.43 -0.44 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 2kiv n THR 76 Cb 0.47 -1.79 -0.10 0.00 -1.82 0.00 0.00 70.33 67.09 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 -6.96 1.35 0.47 8.00 0.01 -1.26 -4.68 113.70 110.63 2kiv s SER 77 Ca -0.28 -1.02 0.24 0.00 1.31 0.00 0.00 55.95 56.20 2kiv s SER 77 Cb 0.08 0.06 1.27 0.00 0.21 0.00 0.00 66.02 67.65 2kiv s SER 77 CO 0.66 -0.43 1.85 0.58 0.41 0.00 0.00 173.24 176.30 2kiv h VAL 78 N 2.89 0.58 0.44 3.43 2.07 -1.84 0.36 116.25 124.17 2kiv h VAL 78 Ca -0.36 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 2kiv h VAL 78 Cb 1.18 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2kiv h VAL 78 CO 0.64 0.04 -0.21 0.00 0.02 0.00 0.00 177.57 178.06 2kiv h ALA 79 N 1.57 -0.60 0.00 1.67 0.00 -1.93 0.74 119.26 120.71 2kiv h ALA 79 Ca 0.49 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2kiv h ALA 79 Cb 1.53 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2kiv h ALA 79 CO -0.12 -0.68 0.00 0.39 0.00 0.00 0.00 179.25 178.83 2kiv n GLU 80 N -5.23 0.09 0.03 0.00 -0.58 -0.62 -0.08 120.64 114.25 2kiv n GLU 80 Ca -0.10 0.28 -0.19 0.00 -0.42 0.00 0.00 57.16 56.73 2kiv n GLU 80 Cb 0.30 -1.66 -0.14 0.00 -0.57 0.00 0.00 31.44 29.36 2kiv n GLU 80 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 2kiv h TRP 81 N 0.00 0.46 0.01 -0.32 7.01 -0.15 -3.22 115.95 119.73 2kiv h TRP 81 Ca 0.00 -0.33 -0.30 0.00 2.11 0.00 0.00 58.89 60.37 2kiv h TRP 81 Cb 0.36 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.35 2kiv h TRP 81 CO 0.00 1.57 -1.75 1.28 -2.79 0.00 0.00 178.44 176.75 2kiv n LEU 82 N -3.43 1.01 0.00 0.65 4.77 0.24 -3.66 117.00 116.58 2kiv n LEU 82 Ca -0.25 0.39 0.15 0.00 -0.03 0.00 0.00 56.01 56.26 2kiv n LEU 82 Cb 1.05 0.06 0.78 0.00 -2.33 0.00 0.00 43.42 42.99 2kiv n LEU 82 CO 0.47 0.43 1.03 -0.67 -1.33 0.00 0.00 177.39 177.32 2kiv n ASP 83 N -3.08 0.00 -0.27 -1.43 2.03 0.89 -2.92 116.55 111.78 2kiv n ASP 83 Ca -0.19 -0.31 0.03 0.00 0.52 0.00 0.00 54.79 54.84 2kiv n ASP 83 Cb 1.05 -0.23 0.07 0.00 -0.72 0.00 0.00 41.12 41.30 2kiv n ASP 83 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2kiv n SER 84 N -1.23 2.43 0.00 1.67 2.88 -1.21 -4.77 113.62 113.39 2kiv n SER 84 Ca 0.16 -2.12 -0.02 0.00 -1.33 0.00 0.00 58.87 55.56 2kiv n SER 84 Cb 0.21 -0.14 -0.01 0.00 -0.75 0.00 0.00 64.21 63.53 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 -0.22 0.70 0.03 2.46 5.41 -1.15 -5.03 119.36 121.57 2kiv n ILE 85 Ca 0.06 0.25 0.00 0.00 1.00 0.00 0.00 62.75 64.06 2kiv n ILE 85 Cb 0.37 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 37.77 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 -3.20 0.00 -4.39 0.38 4.07 -1.20 -5.10 120.64 111.19 2kiv n GLU 86 Ca -0.03 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.87 2kiv n GLU 86 Cb 0.09 0.00 -0.16 0.00 -0.06 0.00 0.00 31.44 31.32 2kiv n GLU 86 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 2kiv s LEU 87 N -5.25 1.70 0.00 4.31 2.34 -1.16 -5.00 118.68 115.62 2kiv s LEU 87 Ca 0.00 -0.20 0.18 0.00 0.06 0.00 0.00 54.13 54.17 2kiv s LEU 87 Cb 0.00 -0.58 -0.13 0.00 -0.56 0.00 0.00 46.19 44.91 2kiv s LEU 87 CO 0.00 0.04 0.81 0.61 -1.06 0.00 0.00 176.35 176.75 2kiv n GLY 88 N 3.48 -0.46 0.29 -3.48 0.00 -1.21 -4.07 105.19 99.75 2kiv n GLY 88 Ca -0.20 -0.51 0.03 0.00 0.00 0.00 0.00 46.02 45.34 2kiv n GLY 88 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kiv h ASP 89 N 0.65 0.57 -0.56 1.61 3.58 -1.95 0.63 116.42 120.95 2kiv h ASP 89 Ca 0.00 0.06 0.16 0.00 0.42 0.00 0.00 57.03 57.67 2kiv h ASP 89 Cb 0.48 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 2kiv h ASP 89 CO 0.00 0.31 0.48 1.88 -2.88 0.00 0.00 179.24 179.02 2kiv h TYR 90 N 0.69 0.00 -1.20 0.28 0.05 -1.97 -1.05 116.97 113.78 2kiv h TYR 90 Ca 0.40 0.00 0.35 0.00 0.05 0.00 0.00 58.73 59.53 2kiv h TYR 90 Cb 0.43 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.07 2kiv h TYR 90 CO -0.08 0.00 0.79 1.15 -1.05 0.00 0.00 178.16 178.96 2kiv h THR 91 N 0.00 0.34 0.46 -2.88 2.02 -1.17 0.75 112.91 112.44 2kiv h THR 91 Ca 0.26 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.35 2kiv h THR 91 Cb 1.21 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2kiv h THR 91 CO -0.00 0.04 -0.22 0.50 0.37 0.00 0.00 175.52 176.20 2kiv h LYS 92 N 0.21 -0.60 -0.34 6.66 3.11 -1.36 -0.78 116.57 123.47 2kiv h LYS 92 Ca 0.69 0.04 0.01 0.00 -2.81 0.00 0.00 60.65 58.58 2kiv h LYS 92 Cb 2.09 0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 33.44 2kiv h LYS 92 CO -0.30 -0.37 0.21 0.00 -2.81 0.00 0.00 179.45 176.18 2kiv h ALA 93 N -0.15 0.43 -0.42 5.00 0.00 -1.08 -1.15 119.26 121.89 2kiv h ALA 93 Ca -0.06 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.90 2kiv h ALA 93 Cb 0.50 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 2kiv h ALA 93 CO 0.10 -0.14 0.11 0.74 0.00 0.00 0.00 179.25 180.06 2kiv h PHE 94 N 0.42 0.18 0.71 0.00 -1.00 -1.16 0.26 116.94 116.35 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 -0.01 -0.02 0.01 0.00 3.61 0.00 0.00 35.95 39.53 2kiv h PHE 94 CO -0.07 0.04 -0.34 -0.07 -1.61 0.00 0.00 178.31 176.26 2kiv h LEU 95 N 0.25 -0.80 -2.03 1.54 3.38 -0.84 0.27 115.31 117.09 2kiv h LEU 95 Ca 0.20 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.31 2kiv h LEU 95 Cb 0.22 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2kiv h LEU 95 CO -0.24 -0.54 0.40 0.16 0.09 0.00 0.00 178.44 178.30 2kiv h ILE 96 N -1.01 0.44 -0.03 1.22 3.07 -1.13 0.24 117.51 120.31 2kiv h ILE 96 Ca -0.10 0.00 -0.17 0.00 1.55 0.00 0.00 64.86 66.14 2kiv h ILE 96 Cb 0.73 0.69 -0.01 0.00 -0.27 0.00 0.00 36.82 37.96 2kiv h ILE 96 CO 0.16 0.00 -0.73 0.78 -1.05 0.00 0.00 178.15 177.31 2kiv h ASN 97 N 0.00 0.26 0.00 2.16 -0.26 -0.16 -3.47 115.58 114.11 2kiv h ASN 97 Ca 0.19 -0.18 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 2kiv h ASN 97 Cb 0.98 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 38.16 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 0.56 1.51 3.46 2.83 0.00 0.85 -5.08 105.19 109.33 2kiv n GLY 98 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.84 2.82 -0.09 1.61 2.02 0.87 -4.73 117.35 118.01 2kiv s TYR 99 Ca 0.00 -0.88 0.06 0.00 -0.37 0.00 0.00 57.07 55.89 2kiv s TYR 99 Cb 0.00 -4.32 -0.10 0.00 -0.40 0.00 0.00 41.96 37.14 2kiv s TYR 99 CO 0.00 -1.61 0.01 2.41 -1.57 0.00 0.00 175.55 174.78 2kiv n THR 100 N 5.83 0.59 -3.09 -0.71 -1.04 -1.26 -4.27 114.28 110.34 2kiv n THR 100 Ca 0.09 -0.34 -0.18 0.00 -2.04 0.00 0.00 64.05 61.59 2kiv n THR 100 Cb 0.47 -0.79 0.01 0.00 -1.82 0.00 0.00 70.33 68.19 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 -4.22 5.71 -0.15 8.00 0.01 -1.26 -4.64 113.70 117.15 2kiv s SER 101 Ca -0.06 -0.35 -0.18 0.00 1.31 0.00 0.00 55.95 56.67 2kiv s SER 101 Cb 0.03 -0.80 -0.15 0.00 0.21 0.00 0.00 66.02 65.31 2kiv s SER 101 CO 0.33 -0.71 0.33 0.24 0.41 0.00 0.00 173.24 173.84 2kiv h MET 102 N 0.66 0.00 -1.03 12.44 0.00 -1.95 -3.35 114.93 121.71 2kiv h MET 102 Ca -0.41 0.00 0.27 0.00 0.00 0.00 0.00 59.70 59.56 2kiv h MET 102 Cb 1.28 0.00 -0.07 0.00 0.00 0.00 0.00 31.60 32.80 2kiv h MET 102 CO 0.47 0.65 0.69 0.22 0.00 0.00 0.00 176.91 178.94 2kiv h ASP 103 N -1.00 0.28 -0.91 1.22 3.58 -1.98 0.17 116.42 117.78 2kiv h ASP 103 Ca -0.09 0.05 0.10 0.00 0.42 0.00 0.00 57.03 57.51 2kiv h ASP 103 Cb 0.79 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.76 2kiv h ASP 103 CO -0.05 0.07 0.55 -0.07 -2.88 0.00 0.00 179.24 176.85 2kiv h LEU 104 N 0.26 0.80 -2.10 2.28 3.38 -1.99 0.18 115.31 118.11 2kiv h LEU 104 Ca 0.54 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.55 2kiv h LEU 104 Cb 1.64 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 2kiv h LEU 104 CO -0.17 0.44 -0.07 -0.07 0.09 0.00 0.00 178.44 178.66 2kiv h LEU 105 N 0.89 0.00 -1.77 1.67 3.38 -0.81 -0.64 115.31 118.03 2kiv h LEU 105 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2kiv h LEU 105 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2kiv h LEU 105 CO -0.25 0.07 0.00 1.17 0.09 0.00 0.00 178.44 179.51 2kiv n LYS 106 N -3.43 2.16 -0.03 1.13 4.81 0.58 -3.98 118.16 119.40 2kiv n LYS 106 Ca -0.02 -1.75 0.02 0.00 -0.87 0.00 0.00 58.31 55.69 2kiv n LYS 106 Cb 0.20 -1.46 -0.15 0.00 0.02 0.00 0.00 35.03 33.65 2kiv n LYS 106 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2kiv n LYS 107 N 0.98 0.66 -3.02 1.64 3.00 -0.25 -4.95 118.16 116.21 2kiv n LYS 107 Ca 0.18 -0.05 -0.31 0.00 -0.00 0.00 0.00 58.31 58.12 2kiv n LYS 107 Cb 0.49 -1.58 -0.04 0.00 0.00 0.00 0.00 35.03 33.90 2kiv n LYS 107 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 2kiv s ILE 108 N -3.05 4.78 0.45 3.15 -4.36 -1.19 -5.10 121.20 115.89 2kiv s ILE 108 Ca -0.08 0.67 0.06 0.00 -0.26 0.00 0.00 60.65 61.04 2kiv s ILE 108 Cb 0.10 -3.68 0.06 0.00 1.25 0.00 0.00 42.46 40.19 2kiv s ILE 108 CO 0.86 -0.36 0.51 0.00 0.24 0.00 0.00 174.94 176.18 2kiv n ALA 109 N -0.89 0.85 0.09 2.27 0.00 -1.26 -4.92 120.51 116.66 2kiv n ALA 109 Ca 0.02 -1.69 -0.10 0.00 0.00 0.00 0.00 53.44 51.67 2kiv n ALA 109 Cb 0.54 0.56 -0.06 0.00 0.00 0.00 0.00 19.45 20.49 2kiv n ALA 109 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2kiv h GLU 110 N 0.00 -0.45 -0.92 0.00 4.81 -1.99 0.07 114.58 116.10 2kiv h GLU 110 Ca -0.24 0.03 0.19 0.00 -0.13 0.00 0.00 59.36 59.21 2kiv h GLU 110 Cb 0.99 0.10 -0.11 0.00 0.63 0.00 0.00 28.75 30.37 2kiv h GLU 110 CO 0.36 -0.30 0.48 -0.24 -0.73 0.00 0.00 179.01 178.58 2kiv h VAL 111 N -0.46 0.63 -0.92 0.32 3.04 -1.97 0.12 116.25 117.00 2kiv h VAL 111 Ca -0.01 -0.20 0.02 0.00 -1.01 0.00 0.00 66.70 65.50 2kiv h VAL 111 Cb 0.45 -0.01 -0.05 0.00 -2.01 0.00 0.00 31.29 29.67 2kiv h VAL 111 CO -0.13 0.11 0.61 -0.33 -1.01 0.00 0.00 177.57 176.81 2kiv h GLU 112 N 0.59 1.18 -0.38 4.17 4.39 -1.78 0.43 114.58 123.17 2kiv h GLU 112 Ca 0.54 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 60.02 2kiv h GLU 112 Cb 0.89 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2kiv h GLU 112 CO -0.43 0.78 -0.36 1.25 -1.16 0.00 0.00 179.01 179.09 2kiv h LEU 113 N 1.21 0.94 -0.28 1.33 6.46 0.11 0.32 115.31 125.41 2kiv h LEU 113 Ca 0.35 -0.42 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 2kiv h LEU 113 Cb -0.07 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 39.59 2kiv h LEU 113 CO -0.10 1.20 0.00 0.40 -0.62 0.00 0.00 178.44 179.33 2kiv h ILE 114 N 0.73 0.00 0.00 4.05 2.04 -0.60 0.45 117.51 124.18 2kiv h ILE 114 Ca 0.07 -0.64 -0.07 0.00 1.00 0.00 0.00 64.86 65.22 2kiv h ILE 114 Cb 0.94 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 2kiv h ILE 114 CO 0.09 0.00 -1.88 0.59 0.00 0.00 0.00 178.15 176.95 2kiv n ASN 115 N -2.67 0.18 -0.07 1.72 4.13 0.14 -3.34 115.26 115.35 2kiv n ASN 115 Ca 0.04 0.07 -0.12 0.00 1.68 0.00 0.00 54.58 56.25 2kiv n ASN 115 Cb 0.42 1.50 -0.04 0.00 -1.54 0.00 0.00 39.78 40.13 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 -2.44 1.36 0.09 2.41 0.31 0.11 -4.69 118.33 115.49 2kiv n VAL 116 Ca -0.08 0.05 0.02 0.00 -0.01 0.00 0.00 64.34 64.31 2kiv n VAL 116 Cb 0.68 -2.06 -0.02 0.00 -0.91 0.00 0.00 33.84 31.53 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 -0.77 0.00 -1.51 7.52 -0.00 -0.47 -3.49 115.31 116.60 2kiv h LEU 117 Ca -0.17 0.00 -0.36 0.00 -0.00 0.00 0.00 57.88 57.36 2kiv h LEU 117 Cb 0.99 0.00 0.14 0.00 -0.00 0.00 0.00 40.66 41.79 2kiv h LEU 117 CO -0.10 0.51 -0.76 0.29 -0.00 0.00 0.00 178.44 178.38 2kiv n LYS 118 N -3.07 -6.61 -3.13 1.13 4.76 0.88 -4.94 118.16 107.19 2kiv n LYS 118 Ca -0.03 0.81 -0.44 0.00 -2.87 0.00 0.00 58.31 55.78 2kiv n LYS 118 Cb 0.77 -5.77 -0.05 0.00 -1.84 0.00 0.00 35.03 28.14 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 -3.39 4.83 -0.20 -0.18 1.01 -1.25 -4.86 121.20 117.16 2kiv s ILE 119 Ca 0.13 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 60.06 2kiv s ILE 119 Cb -0.06 -4.41 -0.21 0.00 0.01 0.00 0.00 42.46 37.79 2kiv s ILE 119 CO 0.74 -1.00 0.03 0.59 0.00 0.00 0.00 174.94 175.30 2kiv n ASN 120 N 6.30 1.43 -4.63 3.58 3.02 -1.26 -4.78 115.26 118.92 2kiv n ASN 120 Ca -0.08 0.00 -0.50 0.00 -0.03 0.00 0.00 54.58 53.97 2kiv n ASN 120 Cb 0.44 -0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.44 2kiv n ASN 120 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2kiv n LEU 121 N -3.16 2.27 -0.05 3.41 7.94 -1.26 -4.87 117.00 121.28 2kiv n LEU 121 Ca -0.38 1.10 -0.11 0.00 -1.11 0.00 0.00 56.01 55.51 2kiv n LEU 121 Cb 1.05 -1.28 -0.05 0.00 0.53 0.00 0.00 43.42 43.67 2kiv n LEU 121 CO 0.35 -0.71 0.87 0.40 -1.11 0.00 0.00 177.39 177.18 2kiv h ILE 122 N 3.60 1.14 0.09 1.96 2.04 -1.90 -0.35 117.51 124.09 2kiv h ILE 122 Ca -0.47 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 64.98 2kiv h ILE 122 Cb 1.30 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 2kiv h ILE 122 CO 0.83 0.14 -0.34 1.23 0.00 0.00 0.00 178.15 180.01 2kiv h GLY 123 N 0.15 -1.18 0.79 5.37 0.00 -1.40 0.48 103.07 107.29 2kiv h GLY 123 Ca 0.06 0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.99 2kiv h GLY 123 CO -0.01 -0.34 -0.20 0.45 0.00 0.00 0.00 176.54 176.44 2kiv h HIS 124 N -0.50 -0.53 0.05 5.60 3.86 -1.80 0.26 115.15 122.09 2kiv h HIS 124 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2kiv h HIS 124 Cb 0.49 0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.15 2kiv h HIS 124 CO -0.38 -0.30 -0.20 -0.09 0.86 0.00 0.00 177.93 177.81 2kiv h ARG 125 N -0.45 -0.28 -0.91 2.45 2.43 -0.93 -1.25 114.38 115.43 2kiv h ARG 125 Ca -0.01 0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.33 2kiv h ARG 125 Cb 0.41 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.93 2kiv h ARG 125 CO -0.03 -0.19 0.52 -0.22 -1.51 0.00 0.00 179.97 178.54 2kiv h LYS 126 N -0.29 0.71 0.04 0.20 3.64 -0.03 0.50 116.57 121.33 2kiv h LYS 126 Ca -0.00 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2kiv h LYS 126 Cb 0.29 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2kiv h LYS 126 CO -0.11 0.47 -0.29 0.00 -2.27 0.00 0.00 179.45 177.25 2kiv h ARG 127 N 0.73 -0.38 -0.12 1.90 2.47 0.13 0.19 114.38 119.29 2kiv h ARG 127 Ca 0.50 0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 59.22 2kiv h ARG 127 Cb 0.68 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.08 2kiv h ARG 127 CO -0.35 -0.25 -0.01 -0.84 0.56 0.00 0.00 179.97 179.08 2kiv h ILE 128 N -0.40 1.09 -0.15 2.04 3.07 -0.89 -1.04 117.51 121.22 2kiv h ILE 128 Ca 0.00 -0.34 -0.00 0.00 1.55 0.00 0.00 64.86 66.06 2kiv h ILE 128 Cb 0.41 1.01 -0.01 0.00 -0.27 0.00 0.00 36.82 37.96 2kiv h ILE 128 CO -0.18 0.11 0.08 -0.07 -1.05 0.00 0.00 178.15 177.05 2kiv h LEU 129 N 0.17 0.19 -0.36 0.16 3.38 -0.00 0.17 115.31 119.02 2kiv h LEU 129 Ca 0.04 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 2kiv h LEU 129 Cb 0.14 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2kiv h LEU 129 CO 0.00 0.22 -0.54 0.00 0.09 0.00 0.00 178.44 178.21 2kiv h ALA 130 N 0.98 0.53 -0.47 1.53 0.00 -0.29 -1.02 119.26 120.52 2kiv h ALA 130 Ca 0.05 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 2kiv h ALA 130 Cb 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2kiv h ALA 130 CO -0.01 0.68 0.14 0.66 0.00 0.00 0.00 179.25 180.73 2kiv h SER 131 N 0.61 0.69 0.06 0.00 4.64 -1.05 -3.21 113.55 115.30 2kiv h SER 131 Ca 0.02 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2kiv h SER 131 Cb 1.13 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2kiv h SER 131 CO 0.12 0.72 -0.03 -0.07 -0.87 0.00 0.00 176.83 176.70 2kiv h LEU 132 N 0.63 -0.07 0.00 5.97 3.38 -0.66 -3.49 115.31 121.06 2kiv h LEU 132 Ca 0.15 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2kiv h LEU 132 Cb 0.28 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2kiv h LEU 132 CO -0.00 0.43 0.00 0.61 0.09 0.00 0.00 178.44 179.56 2kiv n GLY 133 N 0.27 3.71 3.84 0.83 0.00 -0.39 -5.09 105.19 108.36 2kiv n GLY 133 Ca -0.09 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 2kiv n GLY 133 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kiv s ASP 134 N 0.00 6.81 0.00 1.61 -1.08 -1.24 -4.88 116.67 117.89 2kiv s ASP 134 Ca 0.00 0.97 0.29 0.00 -0.52 0.00 0.00 52.55 53.29 2kiv s ASP 134 Cb 0.00 -2.25 1.34 0.00 -1.46 0.00 0.00 42.92 40.55 2kiv s ASP 134 CO 0.00 0.31 1.91 0.54 0.52 0.00 0.00 175.17 178.45