#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kiv n GLN 2 N 0.00 0.47 -3.70 7.34 0.00 -1.26 -5.17 117.38 115.05 2kiv n GLN 2 Ca 0.00 -3.36 -0.11 0.00 0.00 0.00 0.00 57.00 53.53 2kiv n GLN 2 Cb 0.00 2.41 -0.10 0.00 0.00 0.00 0.00 30.24 32.55 2kiv n GLN 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2kiv s THR 3 N -3.25 -0.01 0.17 -0.39 2.01 -1.26 -4.77 115.64 108.14 2kiv s THR 3 Ca 0.33 0.05 -0.15 0.00 0.31 0.00 0.00 61.69 62.22 2kiv s THR 3 Cb 0.02 -0.66 0.10 0.00 0.01 0.00 0.00 72.50 71.97 2kiv s THR 3 CO 0.23 0.02 1.68 0.58 -0.69 0.00 0.00 174.62 176.44 2kiv h VAL 4 N 5.03 0.63 -0.89 3.82 2.07 -1.92 -0.89 116.25 124.11 2kiv h VAL 4 Ca -0.32 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.25 2kiv h VAL 4 Cb 1.19 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.44 2kiv h VAL 4 CO 0.25 0.01 0.55 1.23 0.02 0.00 0.00 177.57 179.63 2kiv h GLY 5 N 0.07 1.37 0.78 2.17 0.00 -1.94 0.26 103.07 105.79 2kiv h GLY 5 Ca 0.21 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2kiv h GLY 5 CO -0.39 0.24 -0.08 -1.61 0.00 0.00 0.00 176.54 174.69 2kiv h GLN 6 N 0.97 -0.22 0.30 4.80 4.15 -1.68 -0.40 115.11 123.03 2kiv h GLN 6 Ca 0.40 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.82 2kiv h GLN 6 Cb 0.25 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.99 2kiv h GLN 6 CO -0.20 0.03 -0.15 2.35 -1.93 0.00 0.00 178.83 178.93 2kiv h TRP 7 N -0.45 -0.38 -0.70 3.99 7.01 -0.89 0.59 115.95 125.12 2kiv h TRP 7 Ca -0.02 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.07 2kiv h TRP 7 Cb 0.35 0.12 -0.07 0.00 -2.10 0.00 0.00 29.16 27.46 2kiv h TRP 7 CO -0.00 -0.18 0.33 1.25 -2.79 0.00 0.00 178.44 177.04 2kiv h LEU 8 N -0.48 0.41 -0.87 0.65 6.46 -0.53 -0.15 115.31 120.80 2kiv h LEU 8 Ca -0.04 0.07 -0.09 0.00 -0.12 0.00 0.00 57.88 57.69 2kiv h LEU 8 Cb 0.36 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 2kiv h LEU 8 CO 0.07 0.22 -0.17 -0.33 -0.62 0.00 0.00 178.44 177.61 2kiv h GLU 9 N 0.55 0.65 -0.59 1.25 5.08 -0.89 0.17 114.58 120.81 2kiv h GLU 9 Ca 0.35 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 2kiv h GLU 9 Cb 0.40 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2kiv h GLU 9 CO -0.29 0.79 0.03 1.03 -1.00 0.00 0.00 179.01 179.56 2kiv h SER 10 N 0.58 0.98 1.30 1.42 0.87 0.57 -2.87 113.55 116.41 2kiv h SER 10 Ca 0.09 -0.26 -0.12 0.00 -1.23 0.00 0.00 61.79 60.28 2kiv h SER 10 Cb 0.62 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 2kiv h SER 10 CO 0.04 1.02 -0.72 0.16 -0.53 0.00 0.00 176.83 176.81 2kiv h ILE 11 N 0.94 0.76 0.00 2.23 3.07 -0.89 -3.48 117.51 120.14 2kiv h ILE 11 Ca 0.17 -2.14 0.00 0.00 1.55 0.00 0.00 64.86 64.44 2kiv h ILE 11 Cb 0.51 2.32 0.00 0.00 -0.27 0.00 0.00 36.82 39.37 2kiv h ILE 11 CO 0.02 0.44 0.00 0.61 -1.05 0.00 0.00 178.15 178.17 2kiv n GLY 12 N 1.26 2.05 3.20 0.16 0.00 0.59 -4.97 105.19 107.48 2kiv n GLY 12 Ca -0.01 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 2kiv n GLY 12 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kiv s LEU 13 N 0.00 1.40 -0.87 0.99 2.34 -1.23 -4.66 118.68 116.66 2kiv s LEU 13 Ca 0.00 -0.60 -0.23 0.00 0.06 0.00 0.00 54.13 53.36 2kiv s LEU 13 Cb 0.00 1.03 -0.15 0.00 -0.56 0.00 0.00 46.19 46.52 2kiv s LEU 13 CO 0.00 -0.70 1.91 -0.81 -1.06 0.00 0.00 176.35 175.69 2kiv n PRO 14 N 0.05 1.47 0.00 1.48 -0.04 -1.26 -4.18 135.00 132.52 2kiv n PRO 14 Ca -0.16 -2.01 0.00 0.00 -0.04 0.00 0.00 63.50 61.29 2kiv n PRO 14 Cb 0.62 -3.17 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 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 7.46 -0.07 -0.00 0.54 0.00 -1.26 -4.75 117.38 119.30 2kiv n GLN 15 Ca 0.48 -0.39 0.00 0.00 -0.00 0.00 0.00 57.00 57.09 2kiv n GLN 15 Cb 0.42 -0.74 0.00 0.00 0.00 0.00 0.00 30.24 29.93 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 -0.05 0.00 0.25 3.69 4.02 -1.26 -4.88 117.16 118.92 2kiv n TYR 16 Ca 0.00 -0.05 -0.15 0.00 -0.01 0.00 0.00 57.90 57.69 2kiv n TYR 16 Cb 0.18 -0.01 -0.08 0.00 -0.02 0.00 0.00 39.34 39.42 2kiv n TYR 16 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2kiv h GLU 17 N 0.00 -0.60 -0.22 -0.72 4.81 -1.87 -1.04 114.58 114.94 2kiv h GLU 17 Ca 0.00 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 2kiv h GLU 17 Cb 0.95 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.43 2kiv h GLU 17 CO 0.00 -0.32 -0.00 -0.91 -0.73 0.00 0.00 179.01 177.05 2kiv h ASN 18 N -0.80 -0.09 0.43 1.04 4.21 -1.95 -0.88 115.58 117.54 2kiv h ASN 18 Ca -0.06 0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 2kiv h ASN 18 Cb 0.56 0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.82 2kiv h ASN 18 CO 0.10 -0.02 -0.48 0.45 -1.29 0.00 0.00 177.43 176.20 2kiv h HIS 19 N 0.07 -1.33 0.00 1.19 3.86 -1.89 0.18 115.15 117.23 2kiv h HIS 19 Ca 0.11 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 2kiv h HIS 19 Cb 0.13 0.52 -0.06 0.00 1.06 0.00 0.00 27.41 29.07 2kiv h HIS 19 CO -0.19 -0.63 -0.52 -0.07 0.86 0.00 0.00 177.93 177.39 2kiv h LEU 20 N -0.93 -1.59 -0.10 2.43 4.07 -1.03 0.33 115.31 118.50 2kiv h LEU 20 Ca -0.05 0.18 0.04 0.00 0.08 0.00 0.00 57.88 58.13 2kiv h LEU 20 Cb 0.82 0.60 -0.06 0.00 1.08 0.00 0.00 40.66 43.11 2kiv h LEU 20 CO -0.09 -0.51 -0.41 -0.03 -1.08 0.00 0.00 178.44 176.31 2kiv h MET 21 N -0.66 -0.49 -0.08 1.13 4.05 0.25 0.51 114.93 119.64 2kiv h MET 21 Ca 0.02 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 2kiv h MET 21 Cb 0.72 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.62 2kiv h MET 21 CO -0.35 -0.33 0.14 0.00 0.23 0.00 0.00 176.91 176.60 2kiv h ALA 22 N 0.10 1.49 -0.39 0.39 0.00 -0.26 0.19 119.26 120.77 2kiv h ALA 22 Ca 0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2kiv h ALA 22 Cb 0.63 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2kiv h ALA 22 CO -0.37 -0.18 0.01 -1.71 0.00 0.00 0.00 179.25 177.00 2kiv n ASN 23 N -3.50 4.15 0.00 0.00 2.85 0.11 -4.87 115.26 114.01 2kiv n ASN 23 Ca -0.01 -2.64 0.00 0.00 -0.11 0.00 0.00 54.58 51.82 2kiv n ASN 23 Cb 0.23 -0.63 0.00 0.00 1.24 0.00 0.00 39.78 40.62 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 0.38 3.08 2.78 8.20 0.00 0.66 -0.49 105.19 119.81 2kiv n GLY 24 Ca 0.19 0.00 -0.42 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 -1.11 3.19 -0.04 1.61 3.72 0.14 -4.38 117.46 120.59 2kiv n PHE 25 Ca 0.00 -2.76 0.01 0.00 -0.05 0.00 0.00 57.45 54.65 2kiv n PHE 25 Cb 0.00 -2.40 -0.14 0.00 -0.94 0.00 0.00 39.48 36.01 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 6.26 0.84 -4.19 4.37 5.75 -1.26 -1.26 116.55 127.07 2kiv n ASP 26 Ca 0.52 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.99 2kiv n ASP 26 Cb 0.39 1.42 -0.17 0.00 -1.03 0.00 0.00 41.12 41.73 2kiv n ASP 26 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2kiv s ASN 27 N -4.53 2.88 0.62 -1.12 2.47 -1.26 -4.43 114.94 109.58 2kiv s ASN 27 Ca -0.07 -0.52 0.35 0.00 0.42 0.00 0.00 52.86 53.04 2kiv s ASN 27 Cb 0.09 -1.32 2.02 0.00 -1.45 0.00 0.00 41.25 40.59 2kiv s ASN 27 CO 0.73 0.14 2.26 0.58 -3.72 0.00 0.00 177.10 177.08 2kiv h VAL 28 N 5.76 0.29 -0.00 -5.21 2.07 -1.90 -0.80 116.25 116.46 2kiv h VAL 28 Ca -0.22 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2kiv h VAL 28 Cb 1.23 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2kiv h VAL 28 CO 0.47 0.00 0.01 -0.61 0.02 0.00 0.00 177.57 177.46 2kiv h GLN 29 N 0.00 0.00 -0.00 1.57 4.15 -1.94 -1.08 115.11 117.81 2kiv h GLN 29 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2kiv h GLN 29 Cb 0.11 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 2kiv h GLN 29 CO -0.00 0.00 0.02 0.00 -1.93 0.00 0.00 178.83 176.92 2kiv h ALA 30 N 1.99 1.07 -0.01 3.38 0.00 -1.55 0.24 119.26 124.39 2kiv h ALA 30 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kiv h ALA 30 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kiv h ALA 30 CO -0.00 -0.02 -0.44 -1.33 0.00 0.00 0.00 179.25 177.46 2kiv n MET 31 N -3.14 0.55 -1.64 0.00 2.81 -0.41 -4.44 117.12 110.85 2kiv n MET 31 Ca -0.03 -0.36 -0.44 0.00 -1.81 0.00 0.00 57.70 55.06 2kiv n MET 31 Cb 0.09 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.09 2kiv n MET 31 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kiv n GLY 32 N 1.42 0.18 2.85 3.03 0.00 0.84 -1.06 105.19 112.44 2kiv n GLY 32 Ca 0.09 0.35 -0.18 0.00 0.00 0.00 0.00 46.02 46.28 2kiv n GLY 32 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kiv n SER 33 N 1.20 -4.19 -3.07 1.61 7.64 -1.26 -4.87 113.62 110.67 2kiv n SER 33 Ca 0.08 -0.08 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 2kiv n SER 33 Cb 0.33 -3.49 0.02 0.00 -1.01 0.00 0.00 64.21 60.05 2kiv n SER 33 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2kiv n ASN 34 N -2.08 -1.60 -3.72 6.43 2.85 -0.22 -5.02 115.26 111.90 2kiv n ASN 34 Ca -0.10 -1.85 -0.12 0.00 -0.11 0.00 0.00 54.58 52.40 2kiv n ASN 34 Cb 0.59 2.61 -0.12 0.00 1.24 0.00 0.00 39.78 44.10 2kiv n ASN 34 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2kiv s VAL 35 N -2.11 -0.03 -0.42 3.44 -7.23 -1.26 -4.86 120.40 107.92 2kiv s VAL 35 Ca 0.21 0.13 -0.33 0.00 -1.81 0.00 0.00 61.98 60.18 2kiv s VAL 35 Cb -0.03 -0.45 -0.11 0.00 0.56 0.00 0.00 36.38 36.35 2kiv s VAL 35 CO 0.05 0.05 2.28 0.80 -0.31 0.00 0.00 175.10 177.98 2kiv n MET 36 N 4.20 1.05 -1.97 4.82 1.56 -1.26 -4.92 117.12 120.59 2kiv n MET 36 Ca -0.24 0.24 -0.31 0.00 -0.27 0.00 0.00 57.70 57.11 2kiv n MET 36 Cb 0.54 -2.60 0.00 0.00 2.15 0.00 0.00 33.22 33.31 2kiv n MET 36 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 2kiv s GLU 37 N 6.84 3.64 0.23 2.12 0.41 -1.26 -4.87 118.70 125.81 2kiv s GLU 37 Ca 1.10 0.81 -0.06 0.00 -0.41 0.00 0.00 54.97 56.41 2kiv s GLU 37 Cb -0.74 -2.09 0.38 0.00 -1.78 0.00 0.00 34.13 29.90 2kiv s GLU 37 CO 0.44 -0.54 1.76 0.38 -0.49 0.00 0.00 175.26 176.81 2kiv h ASP 38 N -0.06 0.38 -0.31 -0.19 2.03 -1.99 -1.21 116.42 115.08 2kiv h ASP 38 Ca -0.45 0.08 0.06 0.00 -0.73 0.00 0.00 57.03 56.00 2kiv h ASP 38 Cb 1.19 0.03 -0.08 0.00 -0.83 0.00 0.00 39.33 39.63 2kiv h ASP 38 CO 0.62 0.19 -0.37 0.06 -1.03 0.00 0.00 179.24 178.70 2kiv h GLN 39 N 0.53 -0.33 0.04 4.15 3.07 -1.98 0.15 115.11 120.74 2kiv h GLN 39 Ca 0.37 0.02 -0.00 0.00 0.09 0.00 0.00 58.65 59.13 2kiv h GLN 39 Cb 0.47 0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.10 2kiv h GLN 39 CO -0.32 -0.22 -0.02 -0.44 0.09 0.00 0.00 178.83 177.92 2kiv h ASP 40 N -0.34 -0.05 -0.41 0.06 3.32 -1.80 0.12 116.42 117.32 2kiv h ASP 40 Ca 0.13 -0.07 0.08 0.00 0.02 0.00 0.00 57.03 57.19 2kiv h ASP 40 Cb 0.57 0.01 -0.09 0.00 0.22 0.00 0.00 39.33 40.04 2kiv h ASP 40 CO -0.49 0.04 -0.26 0.25 -1.72 0.00 0.00 179.24 177.06 2kiv h LEU 41 N -0.13 -0.88 -1.19 1.55 5.85 -0.61 0.15 115.31 120.04 2kiv h LEU 41 Ca -0.01 0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 2kiv h LEU 41 Cb 0.12 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2kiv h LEU 41 CO 0.01 -0.28 -0.40 0.25 -0.34 0.00 0.00 178.44 177.68 2kiv h LEU 42 N -0.19 0.00 -1.18 2.25 7.12 -0.61 -2.69 115.31 120.00 2kiv h LEU 42 Ca 0.19 0.00 -0.08 0.00 0.13 0.00 0.00 57.88 58.12 2kiv h LEU 42 Cb 0.49 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.61 2kiv h LEU 42 CO -0.52 0.40 -0.34 -0.08 -0.13 0.00 0.00 178.44 177.77 2kiv h GLU 43 N 0.00 0.13 0.00 1.25 4.81 0.17 -3.33 114.58 117.61 2kiv h GLU 43 Ca -0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2kiv h GLU 43 Cb 0.73 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.10 2kiv h GLU 43 CO 0.05 0.45 0.00 -0.89 -0.73 0.00 0.00 179.01 177.89 2kiv n ILE 44 N -4.11 0.00 0.00 2.32 5.41 0.23 -4.94 119.36 118.27 2kiv n ILE 44 Ca -0.02 1.08 0.00 0.00 1.00 0.00 0.00 62.75 64.81 2kiv n ILE 44 Cb 0.40 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.34 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 -0.22 -0.53 3.59 7.39 0.00 -1.23 -5.04 105.19 109.14 2kiv n GLY 45 Ca 0.00 0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 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 3.31 0.98 -0.61 -1.09 -1.26 -5.10 121.20 117.44 2kiv s ILE 46 Ca 0.00 -1.61 -0.17 0.00 -2.23 0.00 0.00 60.65 56.64 2kiv s ILE 46 Cb 0.00 -2.65 0.24 0.00 -1.58 0.00 0.00 42.46 38.48 2kiv s ILE 46 CO 0.00 -0.12 0.90 0.18 -1.23 0.00 0.00 174.94 174.67 2kiv n LEU 47 N -0.01 0.00 0.00 2.97 4.32 -1.26 -4.87 117.00 118.14 2kiv n LEU 47 Ca -0.10 -0.96 0.00 0.00 -0.02 0.00 0.00 56.01 54.93 2kiv n LEU 47 Cb 0.55 -0.81 0.00 0.00 -1.62 0.00 0.00 43.42 41.54 2kiv n LEU 47 CO 0.36 -1.90 0.36 -3.20 -1.22 0.00 0.00 177.39 171.79 2kiv n ASN 48 N -4.46 0.00 -0.79 -1.43 5.15 -1.26 -4.27 115.26 108.20 2kiv n ASN 48 Ca 0.12 0.78 0.02 0.00 -0.60 0.00 0.00 54.58 54.91 2kiv n ASN 48 Cb 0.48 -0.36 0.21 0.00 -0.53 0.00 0.00 39.78 39.57 2kiv n ASN 48 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2kiv n SER 49 N -1.57 2.00 0.00 1.20 7.64 -1.26 -4.58 113.62 117.05 2kiv n SER 49 Ca 0.00 -3.84 0.00 0.00 1.01 0.00 0.00 58.87 56.04 2kiv n SER 49 Cb 0.00 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 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 -1.13 1.71 0.10 0.23 0.00 -1.26 -4.76 105.19 100.09 2kiv n GLY 50 Ca 0.24 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.50 0.00 0.08 1.61 -0.00 -1.26 -4.66 115.22 110.48 2kiv n HIS 51 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 2kiv n HIS 51 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 2kiv n HIS 51 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 2kiv h ARG 52 N 0.50 -0.48 -0.95 1.57 2.43 -1.81 -0.98 114.38 114.67 2kiv h ARG 52 Ca 0.00 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.38 2kiv h ARG 52 Cb 0.31 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 29.89 2kiv h ARG 52 CO 0.00 -0.32 0.60 0.37 -1.51 0.00 0.00 179.97 179.12 2kiv h GLN 53 N -0.50 0.63 0.47 0.20 5.75 -1.83 0.39 115.11 120.22 2kiv h GLN 53 Ca -0.01 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 2kiv h GLN 53 Cb 0.49 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 2kiv h GLN 53 CO -0.18 0.42 -0.35 -0.09 -2.65 0.00 0.00 178.83 175.98 2kiv h ARG 54 N 0.65 -0.75 -0.46 1.69 9.65 -1.57 0.89 114.38 124.47 2kiv h ARG 54 Ca 0.51 0.05 0.01 0.00 -1.10 0.00 0.00 59.98 59.46 2kiv h ARG 54 Cb 0.93 0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 29.65 2kiv h ARG 54 CO -0.26 -0.50 0.31 0.82 2.80 0.00 0.00 179.97 183.13 2kiv h ILE 55 N -0.78 1.09 0.58 1.20 2.04 -0.78 -0.36 117.51 120.50 2kiv h ILE 55 Ca -0.06 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 2kiv h ILE 55 Cb 0.65 0.45 0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2kiv h ILE 55 CO 0.03 0.11 -0.28 -0.07 0.00 0.00 0.00 178.15 177.94 2kiv h LEU 56 N 0.59 -0.66 -1.57 1.44 3.38 -0.62 0.16 115.31 118.02 2kiv h LEU 56 Ca 0.18 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.23 2kiv h LEU 56 Cb -0.00 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2kiv h LEU 56 CO -0.04 -0.44 0.37 -0.61 0.09 0.00 0.00 178.44 177.81 2kiv h GLN 57 N -0.82 0.51 0.02 1.13 4.15 -0.73 0.50 115.11 119.87 2kiv h GLN 57 Ca -0.08 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 2kiv h GLN 57 Cb 0.59 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.17 2kiv h GLN 57 CO 0.13 0.33 -0.01 0.00 -1.93 0.00 0.00 178.83 177.35 2kiv h ALA 58 N 1.70 -0.67 -0.68 3.38 0.00 -0.95 0.25 119.26 122.29 2kiv h ALA 58 Ca 0.24 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.34 2kiv h ALA 58 Cb 0.30 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2kiv h ALA 58 CO -0.07 -0.67 0.53 0.97 0.00 0.00 0.00 179.25 180.01 2kiv h ILE 59 N -0.05 0.56 0.06 0.00 6.09 -0.64 0.33 117.51 123.86 2kiv h ILE 59 Ca -0.00 0.00 -0.24 0.00 -1.37 0.00 0.00 64.86 63.25 2kiv h ILE 59 Cb 0.03 0.62 -0.01 0.00 0.47 0.00 0.00 36.82 37.93 2kiv h ILE 59 CO 0.01 0.00 -1.08 -0.61 -3.07 0.00 0.00 178.15 173.39 2kiv h GLN 60 N 0.00 0.17 0.00 2.19 5.75 -0.89 -3.23 115.11 119.10 2kiv h GLN 60 Ca 0.32 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 2kiv h GLN 60 Cb 1.37 0.09 -0.00 0.00 1.07 0.00 0.00 27.48 30.01 2kiv h GLN 60 CO -0.00 1.09 -0.09 -0.07 -2.65 0.00 0.00 178.83 177.11 2kiv h LEU 61 N 0.06 0.00 -8.38 -2.39 3.38 0.31 -3.45 115.31 104.84 2kiv h LEU 61 Ca -0.07 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.25 2kiv h LEU 61 Cb 1.80 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.53 2kiv h LEU 61 CO 0.16 0.05 1.47 0.18 0.09 0.00 0.00 178.44 180.40 2kiv n LEU 62 N -3.10 1.66 0.00 1.67 4.77 0.35 -4.92 117.00 117.44 2kiv n LEU 62 Ca 0.04 0.34 -0.02 0.00 -0.03 0.00 0.00 56.01 56.34 2kiv n LEU 62 Cb 0.55 -1.19 0.01 0.00 -2.33 0.00 0.00 43.42 40.47 2kiv n LEU 62 CO 0.35 -0.82 0.03 -0.81 -1.33 0.00 0.00 177.39 174.81 2kiv n PRO 63 N 8.20 -1.15 -3.65 3.23 -0.04 -1.26 -5.05 135.00 135.27 2kiv n PRO 63 Ca 0.46 -0.10 -0.23 0.00 -0.04 0.00 0.00 63.50 63.60 2kiv n PRO 63 Cb 0.19 -0.09 -0.17 0.00 -0.04 0.00 0.00 33.50 33.38 2kiv n PRO 63 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2kiv s LYS 64 N -3.14 0.08 -0.19 0.54 -2.85 -1.26 -5.01 119.74 107.91 2kiv s LYS 64 Ca 0.04 0.11 0.05 0.00 -1.00 0.00 0.00 55.97 55.16 2kiv s LYS 64 Cb -0.00 -1.23 -0.22 0.00 -2.06 0.00 0.00 37.83 34.32 2kiv s LYS 64 CO 0.03 -0.50 0.09 -1.33 0.10 0.00 0.00 175.35 173.74 2kiv n MET 65 N 5.26 0.68 -2.90 1.78 2.81 -1.26 -4.79 117.12 118.70 2kiv n MET 65 Ca -0.05 0.16 -0.13 0.00 -1.81 0.00 0.00 57.70 55.87 2kiv n MET 65 Cb 0.49 -1.60 0.01 0.00 -0.71 0.00 0.00 33.22 31.41 2kiv n MET 65 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2kiv n ARG 66 N -3.18 0.73 -0.85 0.03 0.00 -1.26 -5.15 116.66 106.98 2kiv n ARG 66 Ca -0.36 -2.24 -0.24 0.00 -0.00 0.00 0.00 57.85 55.01 2kiv n ARG 66 Cb 1.05 -1.40 0.21 0.00 0.00 0.00 0.00 32.46 32.32 2kiv n ARG 66 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2kiv n PRO 67 N 1.68 -2.78 -3.80 -0.14 -0.04 -1.26 -5.04 135.00 123.62 2kiv n PRO 67 Ca 0.14 -1.43 -0.36 0.00 -0.04 0.00 0.00 63.50 61.81 2kiv n PRO 67 Cb 0.59 -1.34 -0.06 0.00 -0.04 0.00 0.00 33.50 32.65 2kiv n PRO 67 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kiv s ILE 68 N -2.62 5.38 0.05 0.52 -1.09 -1.26 -5.03 121.20 117.14 2kiv s ILE 68 Ca 0.58 0.24 -0.23 0.00 -2.23 0.00 0.00 60.65 59.01 2kiv s ILE 68 Cb -0.06 -3.51 -0.12 0.00 -1.58 0.00 0.00 42.46 37.20 2kiv s ILE 68 CO 0.45 0.51 1.36 1.23 -1.23 0.00 0.00 174.94 177.25 2kiv h GLY 69 N 4.53 -1.02 -6.15 6.18 0.00 -2.06 -3.44 103.07 101.12 2kiv h GLY 69 Ca -0.52 0.44 -0.37 0.00 0.00 0.00 0.00 47.33 46.88 2kiv h GLY 69 CO 0.62 -0.33 -0.76 0.30 0.00 0.00 0.00 176.54 176.37 2kiv s HIS 70 N -4.85 0.51 0.50 5.60 3.76 -1.26 -5.15 115.29 114.41 2kiv s HIS 70 Ca -0.12 -0.10 -0.11 0.00 -0.15 0.00 0.00 55.06 54.58 2kiv s HIS 70 Cb 0.02 -0.49 -0.06 0.00 1.11 0.00 0.00 32.58 33.16 2kiv s HIS 70 CO 0.38 -0.13 0.90 0.34 -0.85 0.00 0.00 174.74 175.38 2kiv s ASP 71 N 0.77 6.44 1.32 1.40 2.15 -1.26 -4.81 116.67 122.68 2kiv s ASP 71 Ca -0.09 1.29 0.00 0.00 0.43 0.00 0.00 52.55 54.18 2kiv s ASP 71 Cb -0.12 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 2kiv s ASP 71 CO -0.01 -0.59 0.00 0.61 -0.17 0.00 0.00 175.17 175.01 2kiv n GLY 72 N -1.88 1.79 3.75 2.66 0.00 -1.26 -4.83 105.19 105.41 2kiv n GLY 72 Ca 0.04 0.44 -0.24 0.00 0.00 0.00 0.00 46.02 46.26 2kiv n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kiv n ALA 73 N 9.68 -1.68 -3.50 4.61 0.00 -1.26 -4.93 120.51 123.43 2kiv n ALA 73 Ca 0.00 0.03 -0.32 0.00 0.00 0.00 0.00 53.44 53.15 2kiv n ALA 73 Cb 0.00 -3.26 -0.07 0.00 0.00 0.00 0.00 19.45 16.12 2kiv n ALA 73 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2kiv n HIS 74 N -4.49 3.53 0.55 0.00 8.25 -1.26 -4.87 115.22 116.94 2kiv n HIS 74 Ca -0.15 -3.93 0.07 0.00 -0.26 0.00 0.00 57.72 53.46 2kiv n HIS 74 Cb 0.61 -0.84 0.32 0.00 1.12 0.00 0.00 29.99 31.20 2kiv n HIS 74 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2kiv n PRO 75 N 1.51 0.06 0.02 -0.41 -0.04 -1.26 -3.83 135.00 131.05 2kiv n PRO 75 Ca 0.25 0.22 -0.02 0.00 -0.04 0.00 0.00 63.50 63.91 2kiv n PRO 75 Cb 0.38 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.32 2kiv n PRO 75 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2kiv h THR 76 N 0.00 0.00 -1.85 0.52 1.35 -1.95 -3.43 112.91 107.55 2kiv h THR 76 Ca 0.00 0.00 0.20 0.00 -0.55 0.00 0.00 66.41 66.06 2kiv h THR 76 Cb 0.22 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 66.47 2kiv h THR 76 CO 0.00 0.00 0.67 -0.44 -0.25 0.00 0.00 175.52 175.50 2kiv s SER 77 N -2.70 -0.22 0.36 5.36 0.01 -1.25 -4.93 113.70 110.33 2kiv s SER 77 Ca -0.02 -0.04 0.12 0.00 1.31 0.00 0.00 55.95 57.32 2kiv s SER 77 Cb 0.01 0.26 0.92 0.00 0.21 0.00 0.00 66.02 67.42 2kiv s SER 77 CO 0.08 -0.44 1.80 0.58 0.41 0.00 0.00 173.24 175.68 2kiv h VAL 78 N 2.00 0.67 0.54 3.43 2.07 -1.87 0.36 116.25 123.45 2kiv h VAL 78 Ca -0.17 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 2kiv h VAL 78 Cb 1.20 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2kiv h VAL 78 CO 0.27 0.11 -0.26 0.00 0.02 0.00 0.00 177.57 177.70 2kiv h ALA 79 N 1.63 -0.72 0.00 1.67 0.00 -1.93 -0.08 119.26 119.83 2kiv h ALA 79 Ca 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2kiv h ALA 79 Cb 1.09 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2kiv h ALA 79 CO -0.30 -0.86 0.00 0.39 0.00 0.00 0.00 179.25 178.48 2kiv n GLU 80 N -5.37 0.21 0.12 0.00 -0.58 -0.70 0.04 120.64 114.36 2kiv n GLU 80 Ca -0.12 0.41 -0.23 0.00 -0.42 0.00 0.00 57.16 56.80 2kiv n GLU 80 Cb 0.31 -1.88 -0.15 0.00 -0.57 0.00 0.00 31.44 29.15 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 0.84 0.08 -0.32 7.01 0.10 -3.16 115.95 120.49 2kiv h TRP 81 Ca 0.00 -0.61 -0.33 0.00 2.11 0.00 0.00 58.89 60.06 2kiv h TRP 81 Cb 0.40 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.40 2kiv h TRP 81 CO 0.00 1.55 -1.83 1.28 -2.79 0.00 0.00 178.44 176.65 2kiv n LEU 82 N -3.65 2.40 0.20 0.65 4.77 -0.08 -3.85 117.00 117.43 2kiv n LEU 82 Ca -0.18 0.26 0.16 0.00 -0.03 0.00 0.00 56.01 56.22 2kiv n LEU 82 Cb 1.09 -1.05 0.79 0.00 -2.33 0.00 0.00 43.42 41.92 2kiv n LEU 82 CO 0.57 0.67 1.14 -0.78 -1.33 0.00 0.00 177.39 177.66 2kiv h ASP 83 N -0.30 0.00 1.05 -1.43 1.82 -0.58 0.29 116.42 117.26 2kiv h ASP 83 Ca -0.42 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 2kiv h ASP 83 Cb 1.79 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.80 2kiv h ASP 83 CO -0.03 0.00 -0.24 -1.20 -1.61 0.00 0.00 179.24 176.16 2kiv n SER 84 N -4.01 0.53 0.00 2.28 7.64 -1.19 -4.35 113.62 114.52 2kiv n SER 84 Ca 0.01 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2kiv n SER 84 Cb 0.28 -0.32 0.00 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 -1.91 0.00 0.11 0.44 5.41 0.97 -5.05 119.36 119.32 2kiv n ILE 85 Ca 0.05 0.39 0.00 0.00 1.00 0.00 0.00 62.75 64.20 2kiv n ILE 85 Cb 0.40 -1.27 0.00 0.00 -0.71 0.00 0.00 39.64 38.06 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 -1.93 0.00 -4.46 0.38 2.13 -0.96 -5.08 120.64 110.72 2kiv n GLU 86 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 2kiv n GLU 86 Cb 0.00 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 31.55 2kiv n GLU 86 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 2kiv s LEU 87 N -5.86 2.06 0.00 4.31 2.34 -1.25 -4.93 118.68 115.36 2kiv s LEU 87 Ca 0.00 -0.60 0.24 0.00 0.06 0.00 0.00 54.13 53.83 2kiv s LEU 87 Cb 0.00 -1.41 0.24 0.00 -0.56 0.00 0.00 46.19 44.45 2kiv s LEU 87 CO 0.00 0.04 1.26 0.61 -1.06 0.00 0.00 176.35 177.20 2kiv n GLY 88 N 4.28 0.28 0.34 -3.48 0.00 -1.26 -4.31 105.19 101.04 2kiv n GLY 88 Ca -0.20 -0.62 0.07 0.00 0.00 0.00 0.00 46.02 45.27 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 3.05 0.81 -0.78 1.61 5.19 -1.94 0.59 116.42 124.95 2kiv h ASP 89 Ca 0.00 0.06 0.23 0.00 -0.62 0.00 0.00 57.03 56.70 2kiv h ASP 89 Cb 0.79 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 40.17 2kiv h ASP 89 CO 0.00 0.41 0.58 1.88 -3.12 0.00 0.00 179.24 178.98 2kiv h TYR 90 N 0.88 0.00 -1.16 4.55 0.05 -2.00 -0.85 116.97 118.45 2kiv h TYR 90 Ca 0.48 0.00 0.35 0.00 0.05 0.00 0.00 58.73 59.61 2kiv h TYR 90 Cb 0.53 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 38.15 2kiv h TYR 90 CO -0.03 0.00 0.73 1.15 -1.05 0.00 0.00 178.16 178.96 2kiv h THR 91 N 0.00 0.30 0.00 -2.88 2.02 -1.18 0.26 112.91 111.43 2kiv h THR 91 Ca 0.37 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.47 2kiv h THR 91 Cb 1.52 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2kiv h THR 91 CO -0.00 0.04 -0.00 0.11 0.37 0.00 0.00 175.52 176.04 2kiv h LYS 92 N 0.24 -0.00 -0.23 6.66 1.79 -1.33 -0.95 116.57 122.74 2kiv h LYS 92 Ca 0.72 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 59.18 2kiv h LYS 92 Cb 2.02 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.66 2kiv h LYS 92 CO -0.41 0.11 0.10 0.00 -1.08 0.00 0.00 179.45 178.17 2kiv h ALA 93 N 0.88 0.30 -0.41 3.86 0.00 -0.72 -1.01 119.26 122.16 2kiv h ALA 93 Ca -0.00 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.86 2kiv h ALA 93 Cb 0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2kiv h ALA 93 CO 0.00 -0.11 0.11 0.74 0.00 0.00 0.00 179.25 180.00 2kiv h PHE 94 N 0.23 0.20 0.61 0.00 -1.00 -1.05 0.11 116.94 116.04 2kiv h PHE 94 Ca 0.08 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.85 2kiv h PHE 94 Cb 0.17 -0.03 0.01 0.00 3.61 0.00 0.00 35.95 39.70 2kiv h PHE 94 CO -0.01 0.06 -0.29 -0.07 -1.61 0.00 0.00 178.31 176.39 2kiv h LEU 95 N 0.26 -0.69 -1.98 1.54 3.38 -1.04 0.40 115.31 117.18 2kiv h LEU 95 Ca 0.19 0.02 0.28 0.00 0.09 0.00 0.00 57.88 58.47 2kiv h LEU 95 Cb 0.20 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2kiv h LEU 95 CO -0.22 -0.44 0.72 0.16 0.09 0.00 0.00 178.44 178.75 2kiv h ILE 96 N -0.92 0.47 -0.08 1.22 3.07 -1.12 0.43 117.51 120.58 2kiv h ILE 96 Ca -0.08 0.00 -0.20 0.00 1.55 0.00 0.00 64.86 66.13 2kiv h ILE 96 Cb 0.62 0.49 -0.00 0.00 -0.27 0.00 0.00 36.82 37.67 2kiv h ILE 96 CO 0.14 0.00 -0.78 -1.13 -1.05 0.00 0.00 178.15 175.33 2kiv h ASN 97 N 0.00 0.57 0.00 2.16 -1.24 -0.54 -3.47 115.58 113.06 2kiv h ASN 97 Ca 0.46 -0.39 0.00 0.00 0.71 0.00 0.00 56.30 57.08 2kiv h ASN 97 Cb 1.89 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 40.77 2kiv h ASN 97 CO -0.00 1.15 0.00 0.61 -1.29 0.00 0.00 177.43 177.90 2kiv n GLY 98 N 0.66 0.86 3.55 1.57 0.00 0.15 -5.08 105.19 106.90 2kiv n GLY 98 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.55 1.42 -0.21 1.61 2.02 0.13 -4.71 117.35 117.07 2kiv s TYR 99 Ca 0.00 1.17 0.01 0.00 -0.37 0.00 0.00 57.07 57.88 2kiv s TYR 99 Cb 0.00 -3.84 -0.13 0.00 -0.40 0.00 0.00 41.96 37.59 2kiv s TYR 99 CO 0.00 -2.22 -0.19 2.41 -1.57 0.00 0.00 175.55 173.98 2kiv n THR 100 N 7.75 1.19 -3.96 -0.71 -1.04 -1.26 -3.97 114.28 112.28 2kiv n THR 100 Ca 0.32 -0.45 -0.22 0.00 -2.04 0.00 0.00 64.05 61.66 2kiv n THR 100 Cb 0.51 -1.26 -0.04 0.00 -1.82 0.00 0.00 70.33 67.72 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 -6.06 5.25 0.04 8.00 0.01 -1.26 -4.55 113.70 115.13 2kiv s SER 101 Ca -0.28 -0.46 -0.18 0.00 1.31 0.00 0.00 55.95 56.34 2kiv s SER 101 Cb 0.07 -1.07 -0.19 0.00 0.21 0.00 0.00 66.02 65.05 2kiv s SER 101 CO 0.48 -0.24 1.21 -0.03 0.41 0.00 0.00 173.24 175.07 2kiv h MET 102 N 1.39 0.53 -1.01 12.44 4.05 -1.91 -3.22 114.93 127.19 2kiv h MET 102 Ca -0.46 -0.46 0.23 0.00 -0.28 0.00 0.00 59.70 58.73 2kiv h MET 102 Cb 1.25 0.11 -0.11 0.00 -0.80 0.00 0.00 31.60 32.04 2kiv h MET 102 CO 0.60 1.09 0.62 0.38 0.23 0.00 0.00 176.91 179.83 2kiv h ASP 103 N 0.12 0.65 -0.83 1.39 3.04 -1.96 0.28 116.42 119.12 2kiv h ASP 103 Ca -0.05 0.11 0.06 0.00 -3.24 0.00 0.00 57.03 53.91 2kiv h ASP 103 Cb 1.23 0.01 -0.05 0.00 -1.04 0.00 0.00 39.33 39.47 2kiv h ASP 103 CO 0.12 0.15 0.54 0.25 -2.04 0.00 0.00 179.24 178.26 2kiv h LEU 104 N 0.59 0.82 -2.27 0.15 6.46 -1.98 0.60 115.31 119.69 2kiv h LEU 104 Ca 0.61 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.37 2kiv h LEU 104 Cb 1.19 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.95 2kiv h LEU 104 CO -0.41 0.54 0.00 -0.07 -0.62 0.00 0.00 178.44 177.88 2kiv h LEU 105 N 0.94 0.00 -0.11 2.25 3.38 -0.55 -0.59 115.31 120.64 2kiv h LEU 105 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2kiv h LEU 105 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2kiv h LEU 105 CO -0.12 0.00 -0.28 1.17 0.09 0.00 0.00 178.44 179.30 2kiv n LYS 106 N -3.08 0.24 -0.56 1.13 4.81 0.19 -3.57 118.16 117.32 2kiv n LYS 106 Ca -0.01 -0.11 0.05 0.00 -0.87 0.00 0.00 58.31 57.38 2kiv n LYS 106 Cb 0.18 -1.50 0.27 0.00 0.02 0.00 0.00 35.03 34.01 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 -1.29 3.46 -3.96 1.64 4.81 -0.23 -4.87 118.16 117.72 2kiv n LYS 107 Ca 0.08 -2.14 -0.12 0.00 -0.87 0.00 0.00 58.31 55.27 2kiv n LYS 107 Cb 0.33 -1.93 -0.13 0.00 0.02 0.00 0.00 35.03 33.32 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 -2.07 0.14 0.19 3.15 -4.36 -1.23 -5.11 121.20 111.91 2kiv s ILE 108 Ca 0.37 -0.30 0.02 0.00 -0.26 0.00 0.00 60.65 60.49 2kiv s ILE 108 Cb 0.27 -0.17 0.03 0.00 1.25 0.00 0.00 42.46 43.85 2kiv s ILE 108 CO 0.13 -0.10 0.27 0.00 0.24 0.00 0.00 174.94 175.48 2kiv n ALA 109 N 2.65 0.33 0.15 2.27 0.00 -1.26 -4.87 120.51 119.78 2kiv n ALA 109 Ca -0.15 -0.66 -0.13 0.00 0.00 0.00 0.00 53.44 52.49 2kiv n ALA 109 Cb 0.58 0.17 -0.08 0.00 0.00 0.00 0.00 19.45 20.12 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 -0.65 -0.88 0.00 4.81 -2.00 -0.06 114.58 115.80 2kiv h GLU 110 Ca -0.09 0.04 0.19 0.00 -0.13 0.00 0.00 59.36 59.38 2kiv h GLU 110 Cb 0.40 0.15 -0.11 0.00 0.63 0.00 0.00 28.75 29.81 2kiv h GLU 110 CO 0.12 -0.43 0.41 -0.24 -0.73 0.00 0.00 179.01 178.14 2kiv h VAL 111 N -0.68 0.57 -0.95 0.32 3.04 -1.97 0.17 116.25 116.75 2kiv h VAL 111 Ca -0.03 -0.16 -0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2kiv h VAL 111 Cb 0.63 0.05 -0.05 0.00 -2.01 0.00 0.00 31.29 29.91 2kiv h VAL 111 CO -0.15 0.09 0.58 -0.33 -1.01 0.00 0.00 177.57 176.76 2kiv h GLU 112 N 0.48 1.29 -0.42 4.17 3.07 -1.77 0.43 114.58 121.83 2kiv h GLU 112 Ca 0.52 -0.11 -0.13 0.00 -0.50 0.00 0.00 59.36 59.15 2kiv h GLU 112 Cb 0.91 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 2kiv h GLU 112 CO -0.47 0.89 -0.24 1.25 -1.40 0.00 0.00 179.01 179.05 2kiv h LEU 113 N 1.31 0.88 0.00 1.33 5.85 0.12 0.33 115.31 125.12 2kiv h LEU 113 Ca 0.34 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2kiv h LEU 113 Cb -0.07 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.72 2kiv h LEU 113 CO -0.07 1.08 -0.07 0.40 -0.34 0.00 0.00 178.44 179.44 2kiv h ILE 114 N 0.74 0.00 0.00 4.05 2.04 -0.64 0.10 117.51 123.80 2kiv h ILE 114 Ca 0.09 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 2kiv h ILE 114 Cb 0.78 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 2kiv h ILE 114 CO 0.06 0.00 -1.74 0.59 0.00 0.00 0.00 178.15 177.07 2kiv n ASN 115 N -2.53 0.27 -0.11 1.72 4.13 0.15 -3.21 115.26 115.67 2kiv n ASN 115 Ca 0.05 0.11 -0.22 0.00 1.68 0.00 0.00 54.58 56.20 2kiv n ASN 115 Cb 0.47 1.43 -0.07 0.00 -1.54 0.00 0.00 39.78 40.06 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 1.37 0.66 2.41 0.31 0.11 -4.52 118.33 116.24 2kiv n VAL 116 Ca -0.05 -0.22 0.07 0.00 -0.01 0.00 0.00 64.34 64.13 2kiv n VAL 116 Cb 0.62 -1.94 0.19 0.00 -0.91 0.00 0.00 33.84 31.80 2kiv n VAL 116 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2kiv n LEU 117 N -4.16 2.26 -4.31 7.52 7.99 0.34 -4.92 117.00 121.73 2kiv n LEU 117 Ca -0.39 -1.13 -0.35 0.00 -0.01 0.00 0.00 56.01 54.13 2kiv n LEU 117 Cb 0.75 -0.28 -0.09 0.00 -0.11 0.00 0.00 43.42 43.69 2kiv n LEU 117 CO 0.07 0.56 -0.32 2.29 -1.51 0.00 0.00 177.39 178.48 2kiv n LYS 118 N 0.74 -0.84 -3.05 3.23 2.85 -1.18 -4.84 118.16 115.07 2kiv n LYS 118 Ca 0.14 0.11 -0.44 0.00 -1.05 0.00 0.00 58.31 57.07 2kiv n LYS 118 Cb 0.36 -3.89 -0.04 0.00 -0.65 0.00 0.00 35.03 30.80 2kiv n LYS 118 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2kiv s ILE 119 N -3.79 4.74 -0.15 0.58 1.01 -1.24 -4.84 121.20 117.52 2kiv s ILE 119 Ca 0.36 -0.98 0.08 0.00 0.00 0.00 0.00 60.65 60.11 2kiv s ILE 119 Cb -0.21 -4.56 -0.23 0.00 0.01 0.00 0.00 42.46 37.47 2kiv s ILE 119 CO 0.96 -1.23 0.26 -3.20 0.00 0.00 0.00 174.94 171.73 2kiv n ASN 120 N 6.55 1.14 -4.66 3.58 2.85 -1.26 -4.48 115.26 118.97 2kiv n ASN 120 Ca -0.04 0.15 -0.51 0.00 -0.11 0.00 0.00 54.58 54.06 2kiv n ASN 120 Cb 0.44 -0.02 -0.06 0.00 1.24 0.00 0.00 39.78 41.38 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 -3.11 2.63 0.03 1.20 7.94 -1.26 -4.87 117.00 119.56 2kiv n LEU 121 Ca -0.30 1.06 -0.11 0.00 -1.11 0.00 0.00 56.01 55.54 2kiv n LEU 121 Cb 1.07 -1.28 -0.06 0.00 0.53 0.00 0.00 43.42 43.68 2kiv n LEU 121 CO 0.40 -0.46 0.86 0.40 -1.11 0.00 0.00 177.39 177.48 2kiv h ILE 122 N 4.42 0.95 0.01 1.96 2.04 -1.88 -0.88 117.51 124.12 2kiv h ILE 122 Ca -0.47 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.40 2kiv h ILE 122 Cb 1.30 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 2kiv h ILE 122 CO 0.89 0.00 -0.31 1.23 0.00 0.00 0.00 178.15 179.97 2kiv h GLY 123 N -0.02 -1.24 0.32 5.37 0.00 -1.02 0.36 103.07 106.85 2kiv h GLY 123 Ca 0.02 0.63 0.04 0.00 0.00 0.00 0.00 47.33 48.02 2kiv h GLY 123 CO -0.04 -0.36 -0.25 0.45 0.00 0.00 0.00 176.54 176.34 2kiv h HIS 124 N -0.39 -0.67 -0.45 5.60 3.86 -1.79 0.50 115.15 121.80 2kiv h HIS 124 Ca 0.01 0.03 0.13 0.00 -1.16 0.00 0.00 60.37 59.37 2kiv h HIS 124 Cb 0.42 0.31 -0.02 0.00 1.06 0.00 0.00 27.41 29.18 2kiv h HIS 124 CO -0.44 -0.34 0.37 -0.09 0.86 0.00 0.00 177.93 178.29 2kiv h ARG 125 N -0.34 0.00 0.19 2.45 1.12 -0.91 -1.15 114.38 115.74 2kiv h ARG 125 Ca 0.09 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.95 2kiv h ARG 125 Cb 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.43 2kiv h ARG 125 CO -0.28 0.00 -0.09 -0.22 -3.11 0.00 0.00 179.97 176.27 2kiv h LYS 126 N 0.00 -0.24 -0.96 0.20 1.63 0.18 -0.39 116.57 116.99 2kiv h LYS 126 Ca 0.21 0.02 0.24 0.00 -0.85 0.00 0.00 60.65 60.27 2kiv h LYS 126 Cb 0.95 0.06 -0.13 0.00 -0.60 0.00 0.00 32.23 32.51 2kiv h LYS 126 CO -0.00 -0.16 0.51 0.07 -3.45 0.00 0.00 179.45 176.41 2kiv h ARG 127 N -0.74 0.47 0.04 1.90 0.11 -0.87 0.65 114.38 115.94 2kiv h ARG 127 Ca -0.03 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.02 2kiv h ARG 127 Cb 0.19 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.17 2kiv h ARG 127 CO 0.04 0.31 -0.02 0.82 0.10 0.00 0.00 179.97 181.22 2kiv h ILE 128 N 0.49 1.32 -0.59 0.08 2.04 -1.32 -0.22 117.51 119.31 2kiv h ILE 128 Ca 0.62 -1.28 0.12 0.00 1.00 0.00 0.00 64.86 65.31 2kiv h ILE 128 Cb 1.19 2.15 -0.09 0.00 -0.74 0.00 0.00 36.82 39.33 2kiv h ILE 128 CO -0.51 0.32 0.07 0.25 0.00 0.00 0.00 178.15 178.28 2kiv h LEU 129 N -0.64 -0.11 -0.23 1.44 5.85 0.16 0.11 115.31 121.90 2kiv h LEU 129 Ca -0.01 0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 2kiv h LEU 129 Cb 0.57 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 2kiv h LEU 129 CO 0.01 -0.04 -0.34 0.00 -0.34 0.00 0.00 178.44 177.73 2kiv h ALA 130 N 1.50 0.35 -0.42 1.25 0.00 -0.98 -1.16 119.26 119.79 2kiv h ALA 130 Ca 0.31 -0.42 0.07 0.00 0.00 0.00 0.00 54.91 54.86 2kiv h ALA 130 Cb 0.48 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2kiv h ALA 130 CO -0.44 0.40 0.29 1.03 0.00 0.00 0.00 179.25 180.53 2kiv h SER 131 N 0.33 0.26 0.00 0.00 0.87 -0.13 -2.84 113.55 112.04 2kiv h SER 131 Ca 0.02 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 2kiv h SER 131 Cb 0.92 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.82 2kiv h SER 131 CO 0.08 0.17 -0.19 -0.07 -0.53 0.00 0.00 176.83 176.29 2kiv h LEU 132 N 0.30 0.00 -0.84 2.23 3.38 -0.72 -3.40 115.31 116.25 2kiv h LEU 132 Ca 0.19 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2kiv h LEU 132 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2kiv h LEU 132 CO -0.04 0.99 0.00 0.61 0.09 0.00 0.00 178.44 180.09 2kiv n GLY 133 N 1.61 -0.64 0.05 0.83 0.00 -0.45 -5.02 105.19 101.57 2kiv n GLY 133 Ca -0.12 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.13 2kiv n GLY 133 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kiv n ASP 134 N 0.00 2.53 -0.42 1.61 2.03 -1.26 -5.07 116.55 115.97 2kiv n ASP 134 Ca 0.00 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.45 2kiv n ASP 134 Cb 0.00 0.78 0.58 0.00 -0.72 0.00 0.00 41.12 41.76 2kiv n ASP 134 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17