#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 1.91 -0.24 7.34 0.00 -1.26 -5.18 119.66 122.24 2kiv s GLN 2 Ca 0.00 -1.18 -0.19 0.00 -0.00 0.00 0.00 55.36 53.99 2kiv s GLN 2 Cb 0.00 0.57 0.06 0.00 0.00 0.00 0.00 33.01 33.64 2kiv s GLN 2 CO 0.00 -0.89 0.61 0.99 0.00 0.00 0.00 175.29 176.00 2kiv s THR 3 N -2.76 -0.00 0.30 3.63 2.01 -1.26 -4.73 115.64 112.83 2kiv s THR 3 Ca 0.15 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.22 2kiv s THR 3 Cb -0.05 -0.86 0.29 0.00 0.01 0.00 0.00 72.50 71.89 2kiv s THR 3 CO 0.09 0.00 1.74 0.58 -0.69 0.00 0.00 174.62 176.34 2kiv h VAL 4 N 4.51 0.61 -0.80 3.82 2.07 -1.91 0.43 116.25 124.99 2kiv h VAL 4 Ca -0.30 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.03 2kiv h VAL 4 Cb 1.18 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2kiv h VAL 4 CO 0.15 0.11 0.52 1.23 0.02 0.00 0.00 177.57 179.60 2kiv h GLY 5 N 0.61 1.14 0.52 2.17 0.00 -1.95 0.26 103.07 105.82 2kiv h GLY 5 Ca 0.58 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 2kiv h GLY 5 CO -0.44 0.37 -0.10 1.46 0.00 0.00 0.00 176.54 177.83 2kiv h GLN 6 N 1.03 -0.27 -0.50 4.80 1.08 -1.38 -0.60 115.11 119.27 2kiv h GLN 6 Ca 0.31 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.57 2kiv h GLN 6 Cb -0.05 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.40 2kiv h GLN 6 CO -0.09 0.11 0.26 2.35 -0.95 0.00 0.00 178.83 180.51 2kiv h TRP 7 N -0.76 0.48 -0.12 2.96 7.01 -1.13 0.20 115.95 124.59 2kiv h TRP 7 Ca -0.03 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 2kiv h TRP 7 Cb 0.51 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.42 2kiv h TRP 7 CO 0.06 0.24 0.04 1.25 -2.79 0.00 0.00 178.44 177.24 2kiv h LEU 8 N 0.51 0.16 -1.61 0.65 5.85 -0.54 -1.12 115.31 119.21 2kiv h LEU 8 Ca 0.22 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2kiv h LEU 8 Cb 0.12 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2kiv h LEU 8 CO -0.15 0.29 0.29 -0.08 -0.34 0.00 0.00 178.44 178.45 2kiv h GLU 9 N 0.02 0.50 0.18 1.25 4.81 -0.77 0.17 114.58 120.74 2kiv h GLU 9 Ca 0.04 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2kiv h GLU 9 Cb 0.18 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2kiv h GLU 9 CO -0.00 0.33 -0.09 1.03 -0.73 0.00 0.00 179.01 179.55 2kiv h SER 10 N 0.52 -0.20 0.37 1.04 0.87 -0.64 -3.16 113.55 112.35 2kiv h SER 10 Ca 0.17 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.38 2kiv h SER 10 Cb 0.04 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2kiv h SER 10 CO -0.04 0.28 -0.12 0.16 -0.53 0.00 0.00 176.83 176.58 2kiv h ILE 11 N -0.76 0.56 0.00 2.23 3.07 -0.97 -3.46 117.51 118.19 2kiv h ILE 11 Ca -0.02 -0.52 0.00 0.00 1.55 0.00 0.00 64.86 65.86 2kiv h ILE 11 Cb 0.51 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 38.40 2kiv h ILE 11 CO 0.04 0.11 0.00 0.61 -1.05 0.00 0.00 178.15 177.86 2kiv n GLY 12 N -0.69 0.11 3.29 0.16 0.00 0.57 -5.02 105.19 103.60 2kiv n GLY 12 Ca -0.02 0.46 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 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 0.66 -1.18 0.99 1.43 -1.15 -4.66 118.68 114.77 2kiv s LEU 13 Ca 0.00 -0.35 -0.23 0.00 -1.03 0.00 0.00 54.13 52.53 2kiv s LEU 13 Cb 0.00 1.62 -0.09 0.00 0.03 0.00 0.00 46.19 47.75 2kiv s LEU 13 CO 0.00 -0.79 1.93 -2.16 0.23 0.00 0.00 176.35 175.57 2kiv s PRO 14 N -3.58 2.50 0.00 1.29 0.04 -1.26 -4.25 135.00 129.73 2kiv s PRO 14 Ca 0.02 -1.16 0.00 0.00 0.04 0.00 0.00 61.00 59.90 2kiv s PRO 14 Cb 0.02 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.32 2kiv s PRO 14 CO -0.10 -3.97 0.00 1.04 0.04 0.00 0.00 177.00 174.00 2kiv n GLN 15 N 8.29 0.32 0.00 4.56 6.02 -1.26 -4.76 117.38 130.55 2kiv n GLN 15 Ca 0.45 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.57 2kiv n GLN 15 Cb 0.47 -0.77 0.38 0.00 1.02 0.00 0.00 30.24 31.33 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 -1.94 0.00 -0.19 1.08 4.01 -1.26 -4.20 117.16 114.66 2kiv n TYR 16 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2kiv n TYR 16 Cb 0.27 -0.12 0.10 0.00 -0.31 0.00 0.00 39.34 39.28 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 1.20 0.25 0.08 -0.72 4.81 -1.87 0.29 114.58 118.63 2kiv h GLU 17 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2kiv h GLU 17 Cb 0.50 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2kiv h GLU 17 CO 0.00 0.17 -0.04 -0.91 -0.73 0.00 0.00 179.01 177.50 2kiv h ASN 18 N 0.26 -0.09 0.86 1.04 2.35 -1.94 -0.17 115.58 117.90 2kiv h ASN 18 Ca 0.30 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.93 2kiv h ASN 18 Cb 0.43 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2kiv h ASN 18 CO -0.38 0.02 -0.48 0.45 -1.65 0.00 0.00 177.43 175.39 2kiv h HIS 19 N -0.20 -1.27 -0.19 1.19 3.86 -1.64 0.08 115.15 116.99 2kiv h HIS 19 Ca -0.01 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.23 2kiv h HIS 19 Cb 0.17 0.44 -0.07 0.00 1.06 0.00 0.00 27.41 29.01 2kiv h HIS 19 CO -0.04 -0.74 -0.38 -0.07 0.86 0.00 0.00 177.93 177.56 2kiv h LEU 20 N -1.24 -1.19 -0.21 2.43 4.07 -0.48 0.31 115.31 119.00 2kiv h LEU 20 Ca -0.12 0.17 0.06 0.00 0.08 0.00 0.00 57.88 58.07 2kiv h LEU 20 Cb 0.98 0.50 -0.07 0.00 1.08 0.00 0.00 40.66 43.15 2kiv h LEU 20 CO 0.15 -0.39 -0.29 0.24 -1.08 0.00 0.00 178.44 177.08 2kiv h MET 21 N -0.42 -0.30 0.00 1.13 2.86 -0.92 0.42 114.93 117.70 2kiv h MET 21 Ca 0.10 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2kiv h MET 21 Cb 0.59 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 2kiv h MET 21 CO -0.42 -0.20 -0.02 0.00 1.06 0.00 0.00 176.91 177.33 2kiv h ALA 22 N 0.62 1.20 -0.37 6.32 0.00 -0.35 0.05 119.26 126.73 2kiv h ALA 22 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2kiv h ALA 22 Cb 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kiv h ALA 22 CO -0.39 0.03 0.00 0.09 0.00 0.00 0.00 179.25 178.98 2kiv n ASN 23 N -3.40 2.62 0.00 0.00 3.02 0.10 -4.87 115.26 112.74 2kiv n ASN 23 Ca -0.02 -2.17 0.00 0.00 -0.03 0.00 0.00 54.58 52.35 2kiv n ASN 23 Cb 0.13 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 2kiv n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kiv n GLY 24 N 0.85 3.02 2.29 7.41 0.00 0.00 -0.06 105.19 118.70 2kiv n GLY 24 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 2.07 0.07 1.61 3.72 0.12 -4.34 117.46 118.70 2kiv n PHE 25 Ca 0.00 -2.82 0.08 0.00 -0.05 0.00 0.00 57.45 54.66 2kiv n PHE 25 Cb 0.00 -2.28 -0.04 0.00 -0.94 0.00 0.00 39.48 36.22 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 3.17 0.74 -4.16 4.37 5.68 -1.26 -2.99 116.55 122.10 2kiv n ASP 26 Ca 0.71 0.30 -0.32 0.00 -0.50 0.00 0.00 54.79 54.98 2kiv n ASP 26 Cb 0.34 0.55 -0.17 0.00 -1.14 0.00 0.00 41.12 40.70 2kiv n ASP 26 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 2kiv s ASN 27 N -5.39 3.03 0.34 -1.12 3.84 -1.26 -4.27 114.94 110.12 2kiv s ASN 27 Ca -0.02 -0.58 0.10 0.00 0.21 0.00 0.00 52.86 52.56 2kiv s ASN 27 Cb 0.10 -1.40 0.85 0.00 -0.55 0.00 0.00 41.25 40.24 2kiv s ASN 27 CO 0.81 0.08 1.81 0.58 -2.79 0.00 0.00 177.10 177.59 2kiv h VAL 28 N 5.83 0.71 -0.44 -5.21 2.07 -1.88 0.22 116.25 117.56 2kiv h VAL 28 Ca -0.31 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 67.05 2kiv h VAL 28 Cb 1.19 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2kiv h VAL 28 CO 0.54 0.12 0.29 -0.61 0.02 0.00 0.00 177.57 177.94 2kiv h GLN 29 N 0.66 0.30 -0.37 1.57 5.75 -1.95 -0.66 115.11 120.42 2kiv h GLN 29 Ca 0.54 -0.02 0.11 0.00 -0.15 0.00 0.00 58.65 59.13 2kiv h GLN 29 Cb 0.97 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.44 2kiv h GLN 29 CO -0.30 0.20 0.39 0.00 -2.65 0.00 0.00 178.83 176.47 2kiv h ALA 30 N 1.77 2.07 -0.92 3.38 0.00 -0.94 -0.51 119.26 124.12 2kiv h ALA 30 Ca 0.19 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.27 2kiv h ALA 30 Cb 0.37 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 2kiv h ALA 30 CO -0.04 -0.58 0.59 0.52 0.00 0.00 0.00 179.25 179.74 2kiv h MET 31 N 0.00 0.54 0.00 0.00 2.86 -1.23 -3.38 114.93 113.72 2kiv h MET 31 Ca 0.18 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2kiv h MET 31 Cb 0.96 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2kiv h MET 31 CO -0.00 0.36 0.00 0.41 1.06 0.00 0.00 176.91 178.74 2kiv n GLY 32 N -1.46 0.83 3.25 8.32 0.00 -0.20 -4.81 105.19 111.12 2kiv n GLY 32 Ca 0.19 0.50 -0.31 0.00 0.00 0.00 0.00 46.02 46.40 2kiv n GLY 32 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kiv n SER 33 N 3.69 -2.45 0.17 1.61 2.88 -1.26 -4.88 113.62 113.37 2kiv n SER 33 Ca 0.00 -0.17 0.12 0.00 -1.33 0.00 0.00 58.87 57.49 2kiv n SER 33 Cb 0.00 -0.94 0.27 0.00 -0.75 0.00 0.00 64.21 62.79 2kiv n SER 33 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2kiv h ASN 34 N -2.16 0.00 -4.15 -3.46 2.35 -1.93 -3.45 115.58 102.78 2kiv h ASN 34 Ca -0.52 -0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.05 2kiv h ASN 34 Cb 1.32 0.00 -0.25 0.00 0.05 0.00 0.00 38.32 39.44 2kiv h ASN 34 CO 0.37 0.00 -0.56 -0.69 -1.65 0.00 0.00 177.43 174.90 2kiv s VAL 35 N -3.17 0.03 0.38 2.81 1.01 -1.26 -4.44 120.40 115.77 2kiv s VAL 35 Ca 0.08 -0.23 -0.25 0.00 0.00 0.00 0.00 61.98 61.59 2kiv s VAL 35 Cb 0.08 -0.25 -0.09 0.00 0.00 0.00 0.00 36.38 36.12 2kiv s VAL 35 CO 0.64 -0.12 1.05 -0.32 0.00 0.00 0.00 175.10 176.35 2kiv s MET 36 N -0.38 4.22 0.14 2.72 1.75 -1.26 -5.02 119.30 121.46 2kiv s MET 36 Ca -0.05 1.55 -0.22 0.00 -1.25 0.00 0.00 55.69 55.72 2kiv s MET 36 Cb -0.03 -2.62 -0.07 0.00 2.84 0.00 0.00 34.83 34.94 2kiv s MET 36 CO 0.00 -0.10 0.68 -1.21 -0.65 0.00 0.00 175.02 173.74 2kiv s GLU 37 N -2.37 4.35 0.28 4.11 0.41 -1.26 -4.97 118.70 119.25 2kiv s GLU 37 Ca 0.56 0.92 0.02 0.00 -0.41 0.00 0.00 54.97 56.05 2kiv s GLU 37 Cb -0.23 -3.18 0.61 0.00 -1.78 0.00 0.00 34.13 29.55 2kiv s GLU 37 CO 0.29 0.57 1.77 0.38 -0.49 0.00 0.00 175.26 177.78 2kiv h ASP 38 N 4.22 0.66 -0.28 -0.19 2.03 -1.99 -1.06 116.42 119.81 2kiv h ASP 38 Ca -0.48 0.09 0.06 0.00 -0.73 0.00 0.00 57.03 55.97 2kiv h ASP 38 Cb 1.21 -0.02 -0.07 0.00 -0.83 0.00 0.00 39.33 39.62 2kiv h ASP 38 CO 0.65 0.27 -0.15 1.56 -1.03 0.00 0.00 179.24 180.53 2kiv h GLN 39 N 0.71 -0.11 -0.00 4.15 1.08 -1.99 0.34 115.11 119.28 2kiv h GLN 39 Ca 0.51 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.72 2kiv h GLN 39 Cb 0.73 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.18 2kiv h GLN 39 CO -0.36 -0.08 0.00 -0.44 -0.95 0.00 0.00 178.83 177.00 2kiv h ASP 40 N -0.12 0.00 -0.46 1.46 3.32 -1.68 0.96 116.42 119.90 2kiv h ASP 40 Ca 0.15 -0.21 0.09 0.00 0.02 0.00 0.00 57.03 57.08 2kiv h ASP 40 Cb 0.34 -0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.80 2kiv h ASP 40 CO -0.36 0.21 -0.16 0.25 -1.72 0.00 0.00 179.24 177.47 2kiv h LEU 41 N -0.21 -0.55 -0.87 1.55 5.85 -0.82 0.32 115.31 120.57 2kiv h LEU 41 Ca 0.00 0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.76 2kiv h LEU 41 Cb 0.21 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2kiv h LEU 41 CO -0.00 -0.19 -0.49 0.25 -0.34 0.00 0.00 178.44 177.66 2kiv h LEU 42 N -0.05 0.18 -1.12 2.25 5.85 -0.88 -2.90 115.31 118.64 2kiv h LEU 42 Ca 0.22 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 2kiv h LEU 42 Cb 0.39 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2kiv h LEU 42 CO -0.50 0.65 -0.40 -0.08 -0.34 0.00 0.00 178.44 177.77 2kiv h GLU 43 N 0.14 0.08 0.18 1.25 4.81 0.12 -3.23 114.58 117.92 2kiv h GLU 43 Ca 0.00 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2kiv h GLU 43 Cb 0.92 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.26 2kiv h GLU 43 CO 0.07 0.47 -0.53 0.82 -0.73 0.00 0.00 179.01 179.11 2kiv h ILE 44 N 0.07 0.00 0.00 2.32 1.08 -0.25 -3.47 117.51 117.26 2kiv h ILE 44 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2kiv h ILE 44 Cb 0.74 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 2kiv h ILE 44 CO 0.05 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.12 2kiv n GLY 45 N -1.50 0.45 3.70 5.37 0.00 -1.22 -4.95 105.19 107.04 2kiv n GLY 45 Ca -0.09 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.38 2kiv n GLY 45 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kiv n ILE 46 N 0.00 0.40 -0.33 -0.61 5.41 -1.26 -4.92 119.36 118.05 2kiv n ILE 46 Ca 0.00 -0.07 -0.26 0.00 1.00 0.00 0.00 62.75 63.42 2kiv n ILE 46 Cb 0.00 -1.44 0.24 0.00 -0.71 0.00 0.00 39.64 37.73 2kiv n ILE 46 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2kiv n LEU 47 N 5.87 -0.64 -1.72 1.39 4.77 -1.26 -4.88 117.00 120.53 2kiv n LEU 47 Ca 0.26 -0.70 -0.05 0.00 -0.03 0.00 0.00 56.01 55.48 2kiv n LEU 47 Cb 0.18 -0.93 0.23 0.00 -2.33 0.00 0.00 43.42 40.58 2kiv n LEU 47 CO 0.79 -4.15 0.89 0.59 -1.33 0.00 0.00 177.39 174.18 2kiv n ASN 48 N -4.25 4.15 0.11 -1.43 4.13 -1.26 -4.52 115.26 112.19 2kiv n ASN 48 Ca 0.11 -2.93 -0.12 0.00 1.68 0.00 0.00 54.58 53.31 2kiv n ASN 48 Cb 0.50 -0.69 -0.06 0.00 -1.54 0.00 0.00 39.78 37.99 2kiv n ASN 48 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2kiv h SER 49 N 2.03 -0.62 0.00 6.41 0.02 -2.01 -3.46 113.55 115.92 2kiv h SER 49 Ca 0.21 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2kiv h SER 49 Cb 1.98 0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.76 2kiv h SER 49 CO 0.58 -0.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.57 2kiv n GLY 50 N -1.35 0.00 0.00 -3.77 0.00 -1.26 -5.04 105.19 93.78 2kiv n GLY 50 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.00 2kiv n GLY 50 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kiv n HIS 51 N 0.00 0.00 0.05 1.61 8.25 -1.26 -4.49 115.22 119.37 2kiv n HIS 51 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 2kiv n HIS 51 Cb 0.00 -0.17 -0.08 0.00 1.12 0.00 0.00 29.99 30.86 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 -0.54 -0.54 -0.41 -0.00 -1.94 0.27 114.38 111.23 2kiv h ARG 52 Ca 0.00 0.04 -0.03 0.00 -0.50 0.00 0.00 59.98 59.49 2kiv h ARG 52 Cb 0.37 0.12 -0.03 0.00 0.00 0.00 0.00 29.97 30.43 2kiv h ARG 52 CO 0.00 -0.36 0.22 1.96 0.00 0.00 0.00 179.97 181.80 2kiv h GLN 53 N -0.56 0.77 0.68 0.04 4.20 -1.98 -1.02 115.11 117.24 2kiv h GLN 53 Ca 0.01 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 2kiv h GLN 53 Cb 0.59 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2kiv h GLN 53 CO -0.29 0.63 -0.37 0.00 -0.67 0.00 0.00 178.83 178.13 2kiv h ARG 54 N 0.77 -0.93 -0.18 1.46 2.47 -1.56 0.27 114.38 116.68 2kiv h ARG 54 Ca 0.19 0.06 0.03 0.00 -1.26 0.00 0.00 59.98 59.00 2kiv h ARG 54 Cb 0.14 0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.65 2kiv h ARG 54 CO -0.02 -0.62 0.02 0.82 0.56 0.00 0.00 179.97 180.73 2kiv h ILE 55 N -0.97 0.90 -0.14 2.04 2.04 -0.45 -0.86 117.51 120.06 2kiv h ILE 55 Ca -0.09 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.78 2kiv h ILE 55 Cb 0.76 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 2kiv h ILE 55 CO 0.12 0.02 -0.13 -0.07 0.00 0.00 0.00 178.15 178.09 2kiv h LEU 56 N 0.09 -0.41 -0.58 1.44 3.38 -1.16 0.29 115.31 118.35 2kiv h LEU 56 Ca 0.08 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.19 2kiv h LEU 56 Cb 0.09 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 2kiv h LEU 56 CO -0.13 -0.17 0.30 1.56 0.09 0.00 0.00 178.44 180.09 2kiv h GLN 57 N -0.15 0.56 0.56 1.13 1.08 -0.19 0.14 115.11 118.24 2kiv h GLN 57 Ca 0.09 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.23 2kiv h GLN 57 Cb 0.29 -0.13 0.01 0.00 -0.05 0.00 0.00 27.48 27.60 2kiv h GLN 57 CO -0.23 0.37 -0.27 0.00 -0.95 0.00 0.00 178.83 177.75 2kiv h ALA 58 N 1.31 -0.97 -0.60 3.87 0.00 -0.54 0.24 119.26 122.58 2kiv h ALA 58 Ca 0.26 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 55.18 2kiv h ALA 58 Cb 0.17 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2kiv h ALA 58 CO -0.18 -0.92 0.52 0.97 0.00 0.00 0.00 179.25 179.64 2kiv h ILE 59 N -0.92 0.48 0.13 0.00 2.10 -0.39 0.60 117.51 119.51 2kiv h ILE 59 Ca -0.08 0.00 -0.30 0.00 1.08 0.00 0.00 64.86 65.56 2kiv h ILE 59 Cb 0.58 0.62 0.03 0.00 -1.09 0.00 0.00 36.82 36.95 2kiv h ILE 59 CO 0.13 0.00 -1.27 -0.61 -1.08 0.00 0.00 178.15 175.32 2kiv h GLN 60 N 0.00 0.59 -0.00 2.19 4.15 -0.56 -3.23 115.11 118.24 2kiv h GLN 60 Ca 0.28 -0.82 0.00 0.00 0.77 0.00 0.00 58.65 58.89 2kiv h GLN 60 Cb 1.31 0.28 0.00 0.00 0.21 0.00 0.00 27.48 29.28 2kiv h GLN 60 CO -0.00 1.37 -0.18 1.28 -1.93 0.00 0.00 178.83 179.37 2kiv n LEU 61 N -3.77 0.54 -0.10 -2.39 4.77 0.31 -4.24 117.00 112.12 2kiv n LEU 61 Ca -0.14 -0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.70 2kiv n LEU 61 Cb 1.00 -0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 41.79 2kiv n LEU 61 CO 0.58 0.11 0.51 -0.07 -1.33 0.00 0.00 177.39 177.18 2kiv h LEU 62 N 0.57 -1.80 -8.35 2.23 3.38 0.05 -3.33 115.31 108.07 2kiv h LEU 62 Ca 0.00 0.23 -0.39 0.00 0.09 0.00 0.00 57.88 57.82 2kiv h LEU 62 Cb 0.42 0.73 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 2kiv h LEU 62 CO 0.00 -0.42 1.02 -2.16 0.09 0.00 0.00 178.44 176.96 2kiv s PRO 63 N -5.68 2.59 -0.08 1.13 0.04 -1.26 -4.83 135.00 126.91 2kiv s PRO 63 Ca -0.15 0.12 -0.06 0.00 0.04 0.00 0.00 61.00 60.95 2kiv s PRO 63 Cb 0.08 -4.76 -0.04 0.00 0.04 0.00 0.00 34.50 29.83 2kiv s PRO 63 CO 0.62 -3.09 0.25 -0.22 0.04 0.00 0.00 177.00 174.60 2kiv h LYS 64 N 12.96 -0.20 -4.12 4.56 3.64 -1.93 -3.49 116.57 127.99 2kiv h LYS 64 Ca -0.06 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 2kiv h LYS 64 Cb 1.08 0.05 -0.13 0.00 -0.41 0.00 0.00 32.23 32.81 2kiv h LYS 64 CO 1.21 -0.12 -0.43 -1.64 -2.27 0.00 0.00 179.45 176.20 2kiv s MET 65 N -2.24 1.15 -0.67 1.90 -1.94 -1.26 -4.99 119.30 111.25 2kiv s MET 65 Ca -0.03 -1.33 -0.04 0.00 -1.71 0.00 0.00 55.69 52.58 2kiv s MET 65 Cb 0.00 0.33 0.01 0.00 2.01 0.00 0.00 34.83 37.18 2kiv s MET 65 CO 0.10 -0.40 0.67 -2.13 -0.01 0.00 0.00 175.02 173.25 2kiv n ARG 66 N -0.21 -1.58 -2.05 2.03 3.00 -1.26 -4.83 116.66 111.76 2kiv n ARG 66 Ca -0.05 1.61 -0.27 0.00 -0.00 0.00 0.00 57.85 59.15 2kiv n ARG 66 Cb 0.64 -5.56 -0.05 0.00 0.00 0.00 0.00 32.46 27.49 2kiv n ARG 66 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2kiv s PRO 67 N -2.98 2.56 0.29 -0.14 0.04 -1.26 -4.95 135.00 128.55 2kiv s PRO 67 Ca 0.06 -0.30 -0.29 0.00 0.04 0.00 0.00 61.00 60.51 2kiv s PRO 67 Cb -0.02 -5.07 -0.10 0.00 0.04 0.00 0.00 34.50 29.36 2kiv s PRO 67 CO 0.76 -3.38 1.33 -1.50 0.04 0.00 0.00 177.00 174.25 2kiv s ILE 68 N 10.08 2.83 0.00 0.56 2.07 -1.26 -4.93 121.20 130.55 2kiv s ILE 68 Ca 0.70 0.77 0.00 0.00 -1.41 0.00 0.00 60.65 60.71 2kiv s ILE 68 Cb -0.07 -3.49 0.00 0.00 0.13 0.00 0.00 42.46 39.03 2kiv s ILE 68 CO -0.01 0.16 0.00 0.61 -1.91 0.00 0.00 174.94 173.79 2kiv n GLY 69 N 1.39 -1.87 1.32 1.50 0.00 -1.26 -5.02 105.19 101.26 2kiv n GLY 69 Ca 0.02 0.87 -0.05 0.00 0.00 0.00 0.00 46.02 46.86 2kiv n GLY 69 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kiv n HIS 70 N 0.00 1.43 -2.28 1.61 1.44 -1.26 -5.01 115.22 111.15 2kiv n HIS 70 Ca 0.00 -1.51 -0.42 0.00 -2.01 0.00 0.00 57.72 53.78 2kiv n HIS 70 Cb 0.00 -0.54 -0.03 0.00 0.12 0.00 0.00 29.99 29.54 2kiv n HIS 70 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2kiv s ASP 71 N -2.18 6.95 -0.03 4.39 2.15 -1.26 -5.02 116.67 121.66 2kiv s ASP 71 Ca 0.47 2.21 0.00 0.00 0.43 0.00 0.00 52.55 55.66 2kiv s ASP 71 Cb 0.41 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 40.47 2kiv s ASP 71 CO 0.04 -0.55 0.00 -0.83 -0.17 0.00 0.00 175.17 173.66 2kiv s GLY 72 N 0.94 0.21 1.06 2.66 0.00 -1.26 -5.15 107.32 105.78 2kiv s GLY 72 Ca 0.61 0.16 -0.17 0.00 0.00 0.00 0.00 44.72 45.32 2kiv s GLY 72 CO 0.31 0.55 1.23 0.00 0.00 0.00 0.00 173.10 175.19 2kiv s ALA 73 N 0.93 1.56 0.15 3.20 0.00 -1.26 -5.10 121.76 121.23 2kiv s ALA 73 Ca -0.09 -1.07 -0.21 0.00 0.00 0.00 0.00 51.96 50.59 2kiv s ALA 73 Cb -0.13 -2.83 0.06 0.00 0.00 0.00 0.00 23.12 20.22 2kiv s ALA 73 CO -0.02 -2.90 0.54 -1.01 0.00 0.00 0.00 175.76 172.38 2kiv s HIS 74 N -3.50 -0.42 -0.98 0.00 3.76 -1.26 -5.09 115.29 107.80 2kiv s HIS 74 Ca 0.72 0.17 -0.24 0.00 -0.15 0.00 0.00 55.06 55.56 2kiv s HIS 74 Cb -0.07 0.47 -0.06 0.00 1.11 0.00 0.00 32.58 34.04 2kiv s HIS 74 CO 0.54 -0.82 1.95 -1.25 -0.85 0.00 0.00 174.74 174.31 2kiv s PRO 75 N -3.77 2.53 0.28 8.40 0.04 -1.26 -4.90 135.00 136.32 2kiv s PRO 75 Ca 0.02 -0.52 0.02 0.00 0.04 0.00 0.00 61.00 60.57 2kiv s PRO 75 Cb -0.00 -5.11 -0.04 0.00 0.04 0.00 0.00 34.50 29.39 2kiv s PRO 75 CO -0.12 -3.55 0.15 0.95 0.04 0.00 0.00 177.00 174.47 2kiv s THR 76 N 10.39 0.32 0.83 1.26 -4.23 -1.26 -5.15 115.64 117.80 2kiv s THR 76 Ca 0.70 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.08 2kiv s THR 76 Cb -0.05 -2.54 0.09 0.00 1.34 0.00 0.00 72.50 71.35 2kiv s THR 76 CO 0.03 0.00 1.20 -0.44 -0.54 0.00 0.00 174.62 174.87 2kiv s SER 77 N -3.34 4.33 0.36 3.99 0.01 -1.26 -4.57 113.70 113.22 2kiv s SER 77 Ca 0.37 0.72 0.06 0.00 1.31 0.00 0.00 55.95 58.41 2kiv s SER 77 Cb 0.06 -1.16 0.74 0.00 0.21 0.00 0.00 66.02 65.86 2kiv s SER 77 CO 0.16 -2.01 1.96 0.58 0.41 0.00 0.00 173.24 174.35 2kiv h VAL 78 N -1.13 1.03 0.02 3.43 2.07 -1.83 0.06 116.25 119.90 2kiv h VAL 78 Ca -0.46 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 2kiv h VAL 78 Cb 1.32 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2kiv h VAL 78 CO 0.63 0.14 -0.01 0.00 0.02 0.00 0.00 177.57 178.35 2kiv h ALA 79 N 1.61 -1.00 -0.69 1.67 0.00 -1.95 -0.80 119.26 118.09 2kiv h ALA 79 Ca 0.30 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.36 2kiv h ALA 79 Cb 0.23 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2kiv h ALA 79 CO -0.10 -1.00 0.47 1.49 0.00 0.00 0.00 179.25 180.12 2kiv h GLU 80 N -0.02 0.27 0.21 0.00 4.57 -1.93 0.59 114.58 118.26 2kiv h GLU 80 Ca -0.00 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2kiv h GLU 80 Cb 0.02 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2kiv h GLU 80 CO 0.00 0.18 -0.10 2.35 -1.18 0.00 0.00 179.01 180.27 2kiv h TRP 81 N 0.28 -0.26 0.00 0.92 7.01 -0.86 -2.69 115.95 120.36 2kiv h TRP 81 Ca 0.34 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.27 2kiv h TRP 81 Cb 0.92 0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 28.06 2kiv h TRP 81 CO -0.00 -0.11 -0.27 -0.07 -2.79 0.00 0.00 178.44 175.19 2kiv h LEU 82 N -0.34 0.00 -2.15 0.65 3.38 -0.25 -2.95 115.31 113.65 2kiv h LEU 82 Ca -0.03 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.00 2kiv h LEU 82 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2kiv h LEU 82 CO 0.05 0.27 0.19 -0.78 0.09 0.00 0.00 178.44 178.26 2kiv h ASP 83 N 0.00 0.00 -0.56 -0.43 3.58 -0.57 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 0.80 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.85 2kiv h ASP 83 CO 0.04 0.00 0.00 -1.20 -2.88 0.00 0.00 179.24 175.20 2kiv n SER 84 N -4.06 5.07 0.00 2.28 7.64 -1.11 -3.98 113.62 119.46 2kiv n SER 84 Ca 0.02 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.20 2kiv n SER 84 Cb 0.32 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 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 0.75 0.26 -1.26 0.44 5.41 0.86 -4.99 119.36 120.83 2kiv n ILE 85 Ca 0.25 -0.30 -0.09 0.00 1.00 0.00 0.00 62.75 63.61 2kiv n ILE 85 Cb 1.03 1.03 -0.04 0.00 -0.71 0.00 0.00 39.64 40.95 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 -0.13 -0.84 -4.63 0.38 2.13 -0.99 -4.99 120.64 111.58 2kiv n GLU 86 Ca 0.00 0.77 -0.32 0.00 0.66 0.00 0.00 57.16 58.27 2kiv n GLU 86 Cb 0.35 -4.71 -0.12 0.00 0.27 0.00 0.00 31.44 27.23 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 -2.05 2.86 0.00 4.31 2.01 -0.81 -4.99 118.68 120.01 2kiv s LEU 87 Ca 0.00 -0.27 0.00 0.00 0.01 0.00 0.00 54.13 53.87 2kiv s LEU 87 Cb 0.00 -1.65 0.00 0.00 0.01 0.00 0.00 46.19 44.55 2kiv s LEU 87 CO 0.00 0.28 0.00 0.61 1.01 0.00 0.00 176.35 178.25 2kiv n GLY 88 N 1.71 -0.11 0.39 -3.19 0.00 -1.26 -3.62 105.19 99.10 2kiv n GLY 88 Ca -0.16 -0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.03 2kiv n GLY 88 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2kiv h ASP 89 N 0.00 0.55 -0.55 1.61 2.03 -2.00 0.26 116.42 118.33 2kiv h ASP 89 Ca 0.00 0.07 0.16 0.00 -0.73 0.00 0.00 57.03 56.52 2kiv h ASP 89 Cb 0.00 -0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 38.44 2kiv h ASP 89 CO 0.00 0.20 0.43 1.88 -1.03 0.00 0.00 179.24 180.72 2kiv h TYR 90 N 0.54 0.00 -1.04 4.15 0.05 -2.01 -0.68 116.97 117.98 2kiv h TYR 90 Ca 0.52 0.00 0.27 0.00 0.05 0.00 0.00 58.73 59.58 2kiv h TYR 90 Cb 1.11 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.77 2kiv h TYR 90 CO -0.00 0.00 0.69 1.15 -1.05 0.00 0.00 178.16 178.95 2kiv h THR 91 N 0.00 0.52 0.67 -2.88 2.02 -0.82 0.25 112.91 112.67 2kiv h THR 91 Ca 0.26 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 2kiv h THR 91 Cb 1.11 0.19 0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2kiv h THR 91 CO -0.00 0.06 -0.32 0.50 0.37 0.00 0.00 175.52 176.12 2kiv h LYS 92 N 0.31 -0.87 -0.09 6.66 1.63 -1.29 -0.07 116.57 122.85 2kiv h LYS 92 Ca 0.57 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.43 2kiv h LYS 92 Cb 1.61 0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 33.43 2kiv h LYS 92 CO -0.22 -0.55 0.06 0.00 -3.45 0.00 0.00 179.45 175.28 2kiv h ALA 93 N -1.04 0.11 -0.70 5.00 0.00 -1.44 -1.20 119.26 120.00 2kiv h ALA 93 Ca -0.09 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.88 2kiv h ALA 93 Cb 0.72 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 2kiv h ALA 93 CO 0.15 -0.39 0.38 0.74 0.00 0.00 0.00 179.25 180.13 2kiv h PHE 94 N 0.11 0.69 0.91 0.00 -1.00 -0.60 0.27 116.94 117.31 2kiv h PHE 94 Ca 0.03 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.79 2kiv h PHE 94 Cb -0.00 -0.21 0.01 0.00 3.61 0.00 0.00 35.95 39.36 2kiv h PHE 94 CO -0.07 0.31 -0.44 -0.07 -1.61 0.00 0.00 178.31 176.43 2kiv h LEU 95 N 0.68 -1.03 -2.12 1.54 3.38 -0.71 -0.08 115.31 116.97 2kiv h LEU 95 Ca 0.32 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.38 2kiv h LEU 95 Cb 0.24 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2kiv h LEU 95 CO -0.21 -0.69 0.16 0.16 0.09 0.00 0.00 178.44 177.95 2kiv h ILE 96 N -1.32 0.72 0.00 1.22 3.07 -1.06 0.19 117.51 120.33 2kiv h ILE 96 Ca -0.12 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.29 2kiv h ILE 96 Cb 0.93 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 38.37 2kiv h ILE 96 CO 0.20 0.00 0.00 0.78 -1.05 0.00 0.00 178.15 178.08 2kiv h ASN 97 N 0.00 0.00 -0.56 2.16 2.35 -0.20 -3.47 115.58 115.86 2kiv h ASN 97 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2kiv h ASN 97 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2kiv h ASN 97 CO -0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 2kiv n GLY 98 N 0.47 0.95 1.83 2.83 0.00 0.66 -4.98 105.19 106.95 2kiv n GLY 98 Ca 0.02 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 2kiv n GLY 98 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kiv n TYR 99 N -1.29 2.12 -0.27 1.61 4.01 -0.11 -4.52 117.16 118.72 2kiv n TYR 99 Ca 0.00 -1.16 0.20 0.00 -0.16 0.00 0.00 57.90 56.78 2kiv n TYR 99 Cb 0.27 -0.65 0.51 0.00 -0.31 0.00 0.00 39.34 39.16 2kiv n TYR 99 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2kiv h THR 100 N 1.80 0.64 -3.73 -0.72 1.35 -1.86 -3.38 112.91 107.01 2kiv h THR 100 Ca 0.30 -0.14 -0.63 0.00 -0.55 0.00 0.00 66.41 65.39 2kiv h THR 100 Cb 2.16 0.20 -0.15 0.00 -1.73 0.00 0.00 68.15 68.63 2kiv h THR 100 CO 0.68 0.07 -0.39 -0.44 -0.25 0.00 0.00 175.52 175.19 2kiv s SER 101 N -5.54 6.16 0.60 5.36 0.01 -1.26 -4.68 113.70 114.36 2kiv s SER 101 Ca -0.08 0.17 0.30 0.00 1.31 0.00 0.00 55.95 57.65 2kiv s SER 101 Cb 0.23 -2.16 1.70 0.00 0.21 0.00 0.00 66.02 66.01 2kiv s SER 101 CO 0.79 -0.07 2.09 -0.03 0.41 0.00 0.00 173.24 176.43 2kiv h MET 102 N 8.01 0.00 -0.84 12.44 4.05 -1.81 -1.91 114.93 134.87 2kiv h MET 102 Ca -0.35 0.00 0.18 0.00 -0.28 0.00 0.00 59.70 59.25 2kiv h MET 102 Cb 1.17 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 31.86 2kiv h MET 102 CO 0.62 0.00 0.35 -0.44 0.23 0.00 0.00 176.91 177.68 2kiv h ASP 103 N 0.00 0.32 -0.38 1.39 3.32 -1.92 0.31 116.42 119.46 2kiv h ASP 103 Ca 0.08 0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.28 2kiv h ASP 103 Cb 0.51 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 2kiv h ASP 103 CO -0.00 0.07 0.25 -0.07 -1.72 0.00 0.00 179.24 177.77 2kiv h LEU 104 N 0.44 0.38 -2.50 1.55 4.07 -1.71 0.04 115.31 117.58 2kiv h LEU 104 Ca 0.49 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.44 2kiv h LEU 104 Cb 0.83 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.48 2kiv h LEU 104 CO -0.46 0.26 -0.01 -0.07 -1.08 0.00 0.00 178.44 177.08 2kiv h LEU 105 N 0.44 0.00 -3.11 1.67 3.38 -0.53 -0.88 115.31 116.28 2kiv h LEU 105 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2kiv h LEU 105 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2kiv h LEU 105 CO -0.03 0.01 0.00 0.29 0.09 0.00 0.00 178.44 178.80 2kiv n LYS 106 N -3.18 2.79 -0.67 1.13 5.02 -0.04 -4.46 118.16 118.75 2kiv n LYS 106 Ca -0.02 -2.51 0.05 0.00 -2.02 0.00 0.00 58.31 53.81 2kiv n LYS 106 Cb 0.14 -1.60 0.09 0.00 -0.02 0.00 0.00 35.03 33.65 2kiv n LYS 106 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kiv n LYS 107 N -0.26 0.71 -4.13 1.97 4.76 -0.34 -5.06 118.16 115.80 2kiv n LYS 107 Ca 0.17 -2.21 -0.15 0.00 -2.87 0.00 0.00 58.31 53.25 2kiv n LYS 107 Cb 0.70 -0.90 -0.11 0.00 -1.84 0.00 0.00 35.03 32.88 2kiv n LYS 107 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2kiv s ILE 108 N -1.51 0.82 0.47 -0.18 -4.36 -1.17 -5.00 121.20 110.27 2kiv s ILE 108 Ca 0.26 -1.34 0.05 0.00 -0.26 0.00 0.00 60.65 59.37 2kiv s ILE 108 Cb 0.26 -0.99 0.05 0.00 1.25 0.00 0.00 42.46 43.03 2kiv s ILE 108 CO -0.05 -0.41 0.43 0.00 0.24 0.00 0.00 174.94 175.15 2kiv n ALA 109 N 1.10 0.81 0.14 2.27 0.00 -1.26 -4.94 120.51 118.62 2kiv n ALA 109 Ca -0.20 -1.85 -0.14 0.00 0.00 0.00 0.00 53.44 51.25 2kiv n ALA 109 Cb 0.56 0.70 -0.07 0.00 0.00 0.00 0.00 19.45 20.64 2kiv n ALA 109 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kiv h GLU 110 N 0.00 -0.59 -0.81 0.00 5.08 -2.02 -0.33 114.58 115.91 2kiv h GLU 110 Ca -0.28 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.28 2kiv h GLU 110 Cb 1.08 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 30.36 2kiv h GLU 110 CO 0.43 -0.40 0.36 -0.24 -1.00 0.00 0.00 179.01 178.16 2kiv h VAL 111 N -0.62 0.64 -0.78 3.13 3.04 -1.98 0.37 116.25 120.06 2kiv h VAL 111 Ca 0.02 -0.17 -0.04 0.00 -1.01 0.00 0.00 66.70 65.50 2kiv h VAL 111 Cb 0.62 0.11 -0.03 0.00 -2.01 0.00 0.00 31.29 29.98 2kiv h VAL 111 CO -0.17 0.09 0.33 -0.33 -1.01 0.00 0.00 177.57 176.47 2kiv h GLU 112 N 0.48 1.15 -0.62 4.17 3.07 -1.78 0.36 114.58 121.41 2kiv h GLU 112 Ca 0.46 -0.20 -0.05 0.00 -0.50 0.00 0.00 59.36 59.07 2kiv h GLU 112 Cb 0.72 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.42 2kiv h GLU 112 CO -0.42 0.92 0.19 1.25 -1.40 0.00 0.00 179.01 179.55 2kiv h LEU 113 N 1.12 0.91 -0.03 1.33 5.85 0.74 0.39 115.31 125.62 2kiv h LEU 113 Ca 0.26 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2kiv h LEU 113 Cb 0.19 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2kiv h LEU 113 CO -0.02 0.88 0.00 0.40 -0.34 0.00 0.00 178.44 179.35 2kiv h ILE 114 N 0.89 0.00 0.00 4.05 2.04 -0.86 0.42 117.51 124.05 2kiv h ILE 114 Ca 0.20 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2kiv h ILE 114 Cb 0.30 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 2kiv h ILE 114 CO -0.01 0.00 -1.08 0.59 0.00 0.00 0.00 178.15 177.66 2kiv n ASN 115 N -3.01 0.73 -0.03 1.72 4.13 0.12 -3.05 115.26 115.86 2kiv n ASN 115 Ca 0.04 0.23 -0.07 0.00 1.68 0.00 0.00 54.58 56.46 2kiv n ASN 115 Cb 0.52 0.62 -0.02 0.00 -1.54 0.00 0.00 39.78 39.35 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 -2.52 1.25 0.02 2.41 0.31 0.13 -4.77 118.33 115.17 2kiv n VAL 116 Ca 0.00 0.16 -0.09 0.00 -0.01 0.00 0.00 64.34 64.40 2kiv n VAL 116 Cb 0.53 -1.92 -0.13 0.00 -0.91 0.00 0.00 33.84 31.40 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 -0.52 0.06 -1.85 7.52 -0.00 -0.54 -3.49 115.31 116.48 2kiv h LEU 117 Ca -0.08 -0.09 -0.24 0.00 -0.00 0.00 0.00 57.88 57.46 2kiv h LEU 117 Cb 0.70 -0.02 0.13 0.00 -0.00 0.00 0.00 40.66 41.47 2kiv h LEU 117 CO -0.05 1.08 -0.60 0.29 -0.00 0.00 0.00 178.44 179.16 2kiv n LYS 118 N -3.23 -4.62 -2.89 1.13 5.02 0.10 -4.94 118.16 108.73 2kiv n LYS 118 Ca -0.10 0.65 -0.43 0.00 -2.02 0.00 0.00 58.31 56.41 2kiv n LYS 118 Cb 1.01 -5.05 -0.03 0.00 -0.02 0.00 0.00 35.03 30.93 2kiv n LYS 118 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2kiv s ILE 119 N -3.28 4.57 -0.04 -0.18 1.01 -1.25 -4.81 121.20 117.22 2kiv s ILE 119 Ca 0.05 -1.20 0.13 0.00 0.00 0.00 0.00 60.65 59.63 2kiv s ILE 119 Cb -0.01 -4.77 -0.15 0.00 0.01 0.00 0.00 42.46 37.54 2kiv s ILE 119 CO 0.56 -1.52 1.00 -0.55 0.00 0.00 0.00 174.94 174.43 2kiv h ASN 120 N 9.10 0.00 -2.51 3.58 -1.07 -1.95 -3.45 115.58 119.28 2kiv h ASN 120 Ca 0.04 0.00 -0.53 0.00 0.07 0.00 0.00 56.30 55.88 2kiv h ASN 120 Cb 1.04 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 37.32 2kiv h ASN 120 CO 1.15 0.80 1.13 -0.22 0.07 0.00 0.00 177.43 180.36 2kiv s LEU 121 N -6.23 4.40 0.10 6.14 2.96 -1.26 -4.90 118.68 119.90 2kiv s LEU 121 Ca -0.01 2.72 -0.25 0.00 -0.22 0.00 0.00 54.13 56.37 2kiv s LEU 121 Cb 0.09 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 43.11 2kiv s LEU 121 CO 0.81 -1.01 1.69 0.40 -1.32 0.00 0.00 176.35 176.92 2kiv h ILE 122 N 4.90 0.73 0.00 6.68 2.04 -1.85 -0.27 117.51 129.74 2kiv h ILE 122 Ca -0.46 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.40 2kiv h ILE 122 Cb 1.22 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2kiv h ILE 122 CO 0.95 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.71 2kiv n GLY 123 N -1.24 -2.82 0.35 5.37 0.00 0.91 -0.01 105.19 107.75 2kiv n GLY 123 Ca -0.07 0.30 0.14 0.00 0.00 0.00 0.00 46.02 46.40 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 1.02 0.35 1.61 3.86 -1.79 0.20 115.15 120.40 2kiv h HIS 124 Ca 0.00 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2kiv h HIS 124 Cb 0.00 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.17 2kiv h HIS 124 CO -0.34 0.15 -0.19 -0.09 0.86 0.00 0.00 177.93 178.32 2kiv h ARG 125 N 0.67 -0.48 -0.56 2.45 1.12 -0.45 -1.18 114.38 115.95 2kiv h ARG 125 Ca 0.60 0.03 0.09 0.00 -1.11 0.00 0.00 59.98 59.59 2kiv h ARG 125 Cb 1.02 0.11 -0.07 0.00 -0.01 0.00 0.00 29.97 31.02 2kiv h ARG 125 CO -0.43 -0.32 0.17 -0.22 -3.11 0.00 0.00 179.97 176.07 2kiv h LYS 126 N -0.49 0.32 -0.00 0.20 1.63 -0.02 0.15 116.57 118.35 2kiv h LYS 126 Ca -0.05 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.75 2kiv h LYS 126 Cb 0.39 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.91 2kiv h LYS 126 CO 0.07 0.21 -0.35 -0.09 -3.45 0.00 0.00 179.45 175.84 2kiv h ARG 127 N 0.33 -0.42 -0.40 1.90 2.43 -0.57 0.22 114.38 117.86 2kiv h ARG 127 Ca 0.28 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.51 2kiv h ARG 127 Cb 0.36 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 2kiv h ARG 127 CO -0.32 -0.28 0.21 0.82 -1.51 0.00 0.00 179.97 178.89 2kiv h ILE 128 N -0.44 1.00 -0.78 1.20 2.04 -0.96 0.27 117.51 119.84 2kiv h ILE 128 Ca 0.01 -0.15 0.14 0.00 1.00 0.00 0.00 64.86 65.86 2kiv h ILE 128 Cb 0.47 0.53 -0.09 0.00 -0.74 0.00 0.00 36.82 36.99 2kiv h ILE 128 CO -0.24 0.08 0.34 -0.07 0.00 0.00 0.00 178.15 178.26 2kiv h LEU 129 N 0.43 0.35 -0.47 1.44 3.38 -0.28 0.31 115.31 120.48 2kiv h LEU 129 Ca 0.17 0.10 -0.17 0.00 0.09 0.00 0.00 57.88 58.07 2kiv h LEU 129 Cb 0.06 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2kiv h LEU 129 CO -0.10 0.14 -0.75 0.00 0.09 0.00 0.00 178.44 177.82 2kiv h ALA 130 N 1.55 0.69 -0.68 1.53 0.00 -0.04 -0.53 119.26 121.77 2kiv h ALA 130 Ca 0.43 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2kiv h ALA 130 Cb 0.63 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2kiv h ALA 130 CO -0.39 0.84 0.31 1.03 0.00 0.00 0.00 179.25 181.04 2kiv h SER 131 N 0.12 0.90 0.20 0.00 0.87 0.10 -3.14 113.55 112.61 2kiv h SER 131 Ca -0.02 -0.14 -0.30 0.00 -1.23 0.00 0.00 61.79 60.09 2kiv h SER 131 Cb 1.31 -0.23 0.02 0.00 -0.44 0.00 0.00 62.40 63.06 2kiv h SER 131 CO 0.11 0.80 -1.41 -0.07 -0.53 0.00 0.00 176.83 175.73 2kiv h LEU 132 N 0.95 0.66 0.00 2.23 3.38 -1.15 -3.44 115.31 117.94 2kiv h LEU 132 Ca 0.23 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.28 2kiv h LEU 132 Cb 0.15 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2kiv h LEU 132 CO -0.03 1.66 0.00 0.61 0.09 0.00 0.00 178.44 180.77 2kiv n GLY 133 N 1.75 4.13 3.61 0.83 0.00 -0.21 -5.06 105.19 110.23 2kiv n GLY 133 Ca -0.19 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 2kiv n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kiv s ASP 134 N 0.00 6.32 0.00 1.61 1.01 -1.25 -4.48 116.67 119.88 2kiv s ASP 134 Ca 0.00 0.37 0.32 0.00 0.71 0.00 0.00 52.55 53.95 2kiv s ASP 134 Cb 0.00 -2.23 1.82 0.00 1.01 0.00 0.00 42.92 43.52 2kiv s ASP 134 CO 0.00 -0.22 2.18 -2.11 0.21 0.00 0.00 175.17 175.23