#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 1.58 -0.04 7.34 0.74 -1.26 -5.15 119.66 122.88 2kiv s GLN 2 Ca 0.00 -1.73 0.06 0.00 0.05 0.00 0.00 55.36 53.74 2kiv s GLN 2 Cb 0.00 -1.55 -0.01 0.00 1.10 0.00 0.00 33.01 32.55 2kiv s GLN 2 CO 0.00 0.26 -0.23 0.99 -0.55 0.00 0.00 175.29 175.76 2kiv s THR 3 N -2.67 1.89 0.25 -0.34 2.01 -1.26 -3.96 115.64 111.56 2kiv s THR 3 Ca 0.28 -0.99 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 2kiv s THR 3 Cb -0.03 -1.59 0.23 0.00 0.01 0.00 0.00 72.50 71.13 2kiv s THR 3 CO 0.13 0.53 1.71 0.58 -0.69 0.00 0.00 174.62 176.87 2kiv h VAL 4 N 4.89 0.57 -0.72 3.82 2.07 -1.91 -0.26 116.25 124.71 2kiv h VAL 4 Ca -0.36 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.12 2kiv h VAL 4 Cb 1.16 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 2kiv h VAL 4 CO 0.47 0.07 0.38 1.23 0.02 0.00 0.00 177.57 179.74 2kiv h GLY 5 N 0.37 1.09 0.60 2.17 0.00 -1.95 0.28 103.07 105.62 2kiv h GLY 5 Ca 0.43 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 2kiv h GLY 5 CO -0.46 0.09 -0.21 -1.61 0.00 0.00 0.00 176.54 174.35 2kiv h GLN 6 N 0.66 -0.56 -0.69 4.80 4.15 -1.52 -0.56 115.11 121.39 2kiv h GLN 6 Ca 0.35 0.04 0.11 0.00 0.77 0.00 0.00 58.65 59.91 2kiv h GLN 6 Cb 0.33 0.13 -0.08 0.00 0.21 0.00 0.00 27.48 28.06 2kiv h GLN 6 CO -0.25 -0.25 0.30 2.35 -1.93 0.00 0.00 178.83 179.05 2kiv h TRP 7 N -0.99 0.52 -0.28 3.99 7.01 -1.07 0.55 115.95 125.68 2kiv h TRP 7 Ca -0.06 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.95 2kiv h TRP 7 Cb 0.56 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.48 2kiv h TRP 7 CO 0.02 0.14 0.08 1.25 -2.79 0.00 0.00 178.44 177.13 2kiv h LEU 8 N 0.49 0.42 -1.82 0.65 5.85 -0.48 -0.66 115.31 119.76 2kiv h LEU 8 Ca 0.35 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2kiv h LEU 8 Cb 0.45 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 2kiv h LEU 8 CO -0.32 0.53 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.91 2kiv h GLU 9 N 0.29 0.03 0.15 1.25 4.39 -0.25 0.25 114.58 120.69 2kiv h GLU 9 Ca 0.09 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2kiv h GLU 9 Cb 0.26 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2kiv h GLU 9 CO -0.00 0.10 -0.07 1.03 -1.16 0.00 0.00 179.01 178.91 2kiv h SER 10 N 0.03 -0.17 -0.39 1.42 0.87 -0.54 -3.31 113.55 111.46 2kiv h SER 10 Ca 0.01 -0.22 0.05 0.00 -1.23 0.00 0.00 61.79 60.40 2kiv h SER 10 Cb 0.14 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 2kiv h SER 10 CO 0.01 0.39 0.26 0.16 -0.53 0.00 0.00 176.83 177.12 2kiv h ILE 11 N -0.99 0.97 0.00 2.23 3.07 -1.03 -3.46 117.51 118.29 2kiv h ILE 11 Ca -0.02 -0.11 0.00 0.00 1.55 0.00 0.00 64.86 66.28 2kiv h ILE 11 Cb 0.39 0.63 0.00 0.00 -0.27 0.00 0.00 36.82 37.56 2kiv h ILE 11 CO 0.03 0.06 0.00 0.61 -1.05 0.00 0.00 178.15 177.80 2kiv n GLY 12 N -1.52 1.59 3.18 0.16 0.00 0.07 -5.00 105.19 103.67 2kiv n GLY 12 Ca 0.05 0.31 -0.12 0.00 0.00 0.00 0.00 46.02 46.26 2kiv n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kiv s LEU 13 N 0.00 2.49 -0.99 0.99 1.43 -1.20 -4.54 118.68 116.86 2kiv s LEU 13 Ca 0.00 -0.96 -0.23 0.00 -1.03 0.00 0.00 54.13 51.91 2kiv s LEU 13 Cb 0.00 -0.16 -0.13 0.00 0.03 0.00 0.00 46.19 45.94 2kiv s LEU 13 CO 0.00 -0.40 1.92 -0.81 0.23 0.00 0.00 176.35 177.29 2kiv n PRO 14 N 0.07 1.51 -0.00 1.29 -0.04 -1.26 -4.28 135.00 132.28 2kiv n PRO 14 Ca -0.13 -2.18 -0.00 0.00 -0.04 0.00 0.00 63.50 61.15 2kiv n PRO 14 Cb 0.60 -3.38 -0.00 0.00 -0.04 0.00 0.00 33.50 30.67 2kiv n PRO 14 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2kiv n GLN 15 N 7.78 3.64 -0.05 0.54 1.13 -1.26 -4.66 117.38 124.49 2kiv n GLN 15 Ca 0.47 -0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.64 2kiv n GLN 15 Cb 0.44 -1.01 0.13 0.00 0.11 0.00 0.00 30.24 29.91 2kiv n GLN 15 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2kiv n TYR 16 N -1.98 0.14 0.08 1.08 4.02 -1.26 -4.60 117.16 114.64 2kiv n TYR 16 Ca -0.01 -0.08 -0.06 0.00 -0.01 0.00 0.00 57.90 57.74 2kiv n TYR 16 Cb 0.48 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.76 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 4.31 -0.32 -0.27 -0.72 4.81 -1.88 0.31 114.58 120.81 2kiv h GLU 17 Ca 0.00 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 2kiv h GLU 17 Cb 0.93 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.32 2kiv h GLU 17 CO 0.00 -0.21 -0.17 -0.97 -0.73 0.00 0.00 179.01 176.93 2kiv h ASN 18 N -0.33 -0.55 0.09 1.04 -1.24 -1.92 0.64 115.58 113.30 2kiv h ASN 18 Ca -0.01 0.12 0.01 0.00 0.71 0.00 0.00 56.30 57.12 2kiv h ASN 18 Cb 0.31 0.29 -0.03 0.00 0.73 0.00 0.00 38.32 39.62 2kiv h ASN 18 CO -0.06 -0.20 -0.32 0.45 -1.29 0.00 0.00 177.43 176.00 2kiv h HIS 19 N -0.14 -0.92 -0.23 0.67 3.86 -1.79 0.11 115.15 116.72 2kiv h HIS 19 Ca 0.15 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.44 2kiv h HIS 19 Cb 0.36 0.39 -0.07 0.00 1.06 0.00 0.00 27.41 29.15 2kiv h HIS 19 CO -0.35 -0.36 -0.37 -0.07 0.86 0.00 0.00 177.93 177.64 2kiv h LEU 20 N -0.46 -1.18 -0.18 2.43 4.07 -0.18 0.34 115.31 120.15 2kiv h LEU 20 Ca -0.01 0.18 0.03 0.00 0.08 0.00 0.00 57.88 58.16 2kiv h LEU 20 Cb 0.46 0.51 -0.06 0.00 1.08 0.00 0.00 40.66 42.65 2kiv h LEU 20 CO -0.16 -0.37 -0.50 0.24 -1.08 0.00 0.00 178.44 176.56 2kiv h MET 21 N -0.39 -0.48 0.00 1.13 2.86 -0.57 0.59 114.93 118.07 2kiv h MET 21 Ca 0.11 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2kiv h MET 21 Cb 0.58 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.35 2kiv h MET 21 CO -0.44 -0.32 -0.00 0.00 1.06 0.00 0.00 176.91 177.21 2kiv h ALA 22 N -0.35 1.05 -0.40 6.32 0.00 -0.36 0.88 119.26 126.40 2kiv h ALA 22 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kiv h ALA 22 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2kiv h ALA 22 CO -0.43 0.00 0.00 0.09 0.00 0.00 0.00 179.25 178.91 2kiv n ASN 23 N -3.16 2.89 0.00 0.00 4.13 0.12 -4.88 115.26 114.36 2kiv n ASN 23 Ca -0.03 -2.21 0.00 0.00 1.68 0.00 0.00 54.58 54.02 2kiv n ASN 23 Cb 0.08 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 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 0.87 3.12 2.71 7.41 0.00 0.30 -0.62 105.19 118.99 2kiv n GLY 24 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.26 2.72 -0.01 1.61 3.72 0.17 -4.37 117.46 120.03 2kiv n PHE 25 Ca 0.00 -2.65 0.06 0.00 -0.05 0.00 0.00 57.45 54.82 2kiv n PHE 25 Cb 0.00 -2.27 -0.15 0.00 -0.94 0.00 0.00 39.48 36.12 2kiv n PHE 25 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2kiv n ASP 26 N 5.67 0.14 -4.14 4.37 5.75 -1.26 -2.52 116.55 124.55 2kiv n ASP 26 Ca 0.56 0.06 -0.30 0.00 -0.01 0.00 0.00 54.79 55.10 2kiv n ASP 26 Cb 0.33 1.55 -0.17 0.00 -1.03 0.00 0.00 41.12 41.80 2kiv n ASP 26 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2kiv s ASN 27 N -4.86 2.76 0.48 -1.12 0.01 -1.26 -4.27 114.94 106.68 2kiv s ASN 27 Ca -0.07 -0.50 0.22 0.00 -0.71 0.00 0.00 52.86 51.79 2kiv s ASN 27 Cb 0.12 -1.26 1.24 0.00 0.41 0.00 0.00 41.25 41.75 2kiv s ASN 27 CO 0.88 0.09 1.93 0.58 -1.51 0.00 0.00 177.10 179.06 2kiv h VAL 28 N 5.83 0.71 -0.18 1.60 2.07 -1.89 0.19 116.25 124.58 2kiv h VAL 28 Ca -0.27 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.23 2kiv h VAL 28 Cb 1.21 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2kiv h VAL 28 CO 0.50 0.04 0.15 1.56 0.02 0.00 0.00 177.57 179.84 2kiv h GLN 29 N 0.21 0.00 -0.25 1.57 1.08 -1.95 -0.62 115.11 115.16 2kiv h GLN 29 Ca 0.36 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.63 2kiv h GLN 29 Cb 1.11 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.53 2kiv h GLN 29 CO -0.07 0.00 0.27 0.00 -0.95 0.00 0.00 178.83 178.07 2kiv h ALA 30 N 1.86 1.92 -0.80 3.87 0.00 -1.02 -0.89 119.26 124.20 2kiv h ALA 30 Ca 0.08 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.20 2kiv h ALA 30 Cb 0.39 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2kiv h ALA 30 CO -0.00 -0.40 0.57 0.52 0.00 0.00 0.00 179.25 179.94 2kiv h MET 31 N 0.00 0.10 -5.81 0.00 2.86 -1.27 -3.41 114.93 107.40 2kiv h MET 31 Ca 0.12 -0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.61 2kiv h MET 31 Cb 0.65 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.30 2kiv h MET 31 CO -0.00 0.07 -0.84 0.41 1.06 0.00 0.00 176.91 177.60 2kiv n GLY 32 N -1.65 -0.95 2.41 8.32 0.00 -0.34 -0.16 105.19 112.82 2kiv n GLY 32 Ca 0.16 1.08 -0.19 0.00 0.00 0.00 0.00 46.02 47.08 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 -0.06 -5.28 -3.39 1.61 7.64 -1.26 -2.06 113.62 110.81 2kiv n SER 33 Ca 0.03 0.12 -0.17 0.00 1.01 0.00 0.00 58.87 59.86 2kiv n SER 33 Cb 0.50 -4.47 0.08 0.00 -1.01 0.00 0.00 64.21 59.32 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 -1.79 -3.34 -0.14 6.43 3.02 -1.10 -4.89 115.26 113.44 2kiv n ASN 34 Ca -0.21 -0.65 0.14 0.00 -0.03 0.00 0.00 54.58 53.83 2kiv n ASN 34 Cb 0.66 -5.13 0.65 0.00 -0.61 0.00 0.00 39.78 35.35 2kiv n ASN 34 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2kiv n VAL 35 N -3.88 0.00 -1.54 2.41 3.14 0.77 -4.92 118.33 114.31 2kiv n VAL 35 Ca -0.23 -0.07 -0.40 0.00 -2.96 0.00 0.00 64.34 60.69 2kiv n VAL 35 Cb 0.66 -0.09 0.03 0.00 -1.06 0.00 0.00 33.84 33.37 2kiv n VAL 35 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 2kiv n MET 36 N -0.85 0.84 -4.24 1.45 0.00 -1.25 -5.01 117.12 108.06 2kiv n MET 36 Ca 0.16 0.31 -0.17 0.00 0.00 0.00 0.00 57.70 58.01 2kiv n MET 36 Cb 0.26 -1.86 -0.08 0.00 0.00 0.00 0.00 33.22 31.53 2kiv n MET 36 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2kiv s GLU 37 N -2.12 1.60 0.11 2.12 0.41 -1.26 -4.98 118.70 114.57 2kiv s GLU 37 Ca 0.68 -1.87 -0.20 0.00 -0.41 0.00 0.00 54.97 53.17 2kiv s GLU 37 Cb -0.50 0.32 -0.09 0.00 -1.78 0.00 0.00 34.13 32.09 2kiv s GLU 37 CO 0.54 -0.59 1.71 0.38 -0.49 0.00 0.00 175.26 176.82 2kiv h ASP 38 N 2.28 0.21 -0.99 -0.19 3.04 -1.98 -0.84 116.42 117.95 2kiv h ASP 38 Ca -0.28 -0.07 0.19 0.00 -3.24 0.00 0.00 57.03 53.62 2kiv h ASP 38 Cb 1.24 -0.05 -0.10 0.00 -1.04 0.00 0.00 39.33 39.38 2kiv h ASP 38 CO 0.41 0.22 0.61 0.06 -2.04 0.00 0.00 179.24 178.51 2kiv h GLN 39 N 0.19 0.71 0.07 4.15 3.07 -1.97 0.43 115.11 121.76 2kiv h GLN 39 Ca 0.06 -0.04 -0.00 0.00 0.09 0.00 0.00 58.65 58.76 2kiv h GLN 39 Cb 0.05 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 27.45 2kiv h GLN 39 CO -0.01 0.47 -0.03 -0.44 0.09 0.00 0.00 178.83 178.91 2kiv h ASP 40 N 0.73 -0.08 -1.20 0.06 5.19 -1.87 0.15 116.42 119.40 2kiv h ASP 40 Ca 0.56 0.00 0.34 0.00 -0.62 0.00 0.00 57.03 57.31 2kiv h ASP 40 Cb 0.90 0.02 -0.08 0.00 0.18 0.00 0.00 39.33 40.35 2kiv h ASP 40 CO -0.34 0.02 0.82 0.17 -3.12 0.00 0.00 179.24 176.79 2kiv h LEU 41 N -0.24 0.22 0.06 1.55 8.10 -1.04 0.21 115.31 124.16 2kiv h LEU 41 Ca -0.01 0.06 -0.15 0.00 0.11 0.00 0.00 57.88 57.88 2kiv h LEU 41 Cb 0.07 0.03 0.02 0.00 -0.44 0.00 0.00 40.66 40.33 2kiv h LEU 41 CO 0.02 0.00 -0.63 0.25 -4.11 0.00 0.00 178.44 173.96 2kiv h LEU 42 N 0.17 0.46 -1.45 0.17 5.85 -0.21 -3.28 115.31 117.01 2kiv h LEU 42 Ca 0.64 -0.85 0.10 0.00 0.84 0.00 0.00 57.88 58.61 2kiv h LEU 42 Cb 2.11 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.95 2kiv h LEU 42 CO -0.19 1.26 0.48 -0.08 -0.34 0.00 0.00 178.44 179.57 2kiv h GLU 43 N -0.28 0.59 0.00 1.25 4.81 0.15 -3.13 114.58 117.97 2kiv h GLU 43 Ca -0.10 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2kiv h GLU 43 Cb 1.41 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2kiv h GLU 43 CO 0.12 0.39 0.00 -0.89 -0.73 0.00 0.00 179.01 177.90 2kiv n ILE 44 N -4.49 0.00 0.00 2.32 5.41 -0.36 -4.89 119.36 117.35 2kiv n ILE 44 Ca 0.12 1.33 0.00 0.00 1.00 0.00 0.00 62.75 65.21 2kiv n ILE 44 Cb 0.35 -2.16 0.00 0.00 -0.71 0.00 0.00 39.64 37.12 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 -0.89 -1.87 3.14 7.39 0.00 -1.18 -5.02 105.19 106.76 2kiv n GLY 45 Ca 0.00 0.84 -0.33 0.00 0.00 0.00 0.00 46.02 46.53 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 2.43 0.00 -0.61 -1.09 -1.25 -5.02 121.20 115.66 2kiv s ILE 46 Ca 0.00 -1.15 0.00 0.00 -2.23 0.00 0.00 60.65 57.27 2kiv s ILE 46 Cb 0.00 -2.22 0.00 0.00 -1.58 0.00 0.00 42.46 38.66 2kiv s ILE 46 CO 0.00 0.25 0.00 0.18 -1.23 0.00 0.00 174.94 174.14 2kiv n LEU 47 N 4.59 0.03 -4.56 2.97 4.32 -1.26 -4.95 117.00 118.14 2kiv n LEU 47 Ca -0.17 0.24 -0.42 0.00 -0.02 0.00 0.00 56.01 55.64 2kiv n LEU 47 Cb 0.47 -0.49 0.01 0.00 -1.62 0.00 0.00 43.42 41.79 2kiv n LEU 47 CO 0.25 -0.49 0.42 0.59 -1.22 0.00 0.00 177.39 176.94 2kiv n ASN 48 N -2.23 0.58 0.14 -1.43 4.13 -1.26 -4.89 115.26 110.30 2kiv n ASN 48 Ca 0.00 1.00 0.02 0.00 1.68 0.00 0.00 54.58 57.28 2kiv n ASN 48 Cb 0.00 -1.28 0.02 0.00 -1.54 0.00 0.00 39.78 36.98 2kiv n ASN 48 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 2kiv h SER 49 N 1.29 0.00 0.11 6.41 0.87 -2.03 -3.17 113.55 117.04 2kiv h SER 49 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2kiv h SER 49 Cb 1.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2kiv h SER 49 CO 0.55 0.53 0.00 0.61 -0.53 0.00 0.00 176.83 177.99 2kiv n GLY 50 N 1.23 -0.98 0.08 5.77 0.00 -1.26 -3.64 105.19 106.39 2kiv n GLY 50 Ca 0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 2kiv n GLY 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2kiv h HIS 51 N 0.00 0.00 -0.99 1.61 3.86 -1.92 -3.28 115.15 114.43 2kiv h HIS 51 Ca 0.00 0.00 0.18 0.00 -1.16 0.00 0.00 60.37 59.39 2kiv h HIS 51 Cb 0.06 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.43 2kiv h HIS 51 CO 0.00 0.55 0.61 0.07 0.86 0.00 0.00 177.93 180.03 2kiv h ARG 52 N -1.00 0.71 0.39 2.45 -0.00 -1.69 -1.08 114.38 114.16 2kiv h ARG 52 Ca -0.13 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.98 59.79 2kiv h ARG 52 Cb 0.79 -0.16 0.00 0.00 -0.00 0.00 0.00 29.97 30.60 2kiv h ARG 52 CO -0.08 0.47 -0.19 1.96 -0.00 0.00 0.00 179.97 182.14 2kiv h GLN 53 N 0.73 -0.50 0.17 0.08 4.20 -1.74 0.19 115.11 118.23 2kiv h GLN 53 Ca 0.55 0.03 0.01 0.00 0.06 0.00 0.00 58.65 59.31 2kiv h GLN 53 Cb 0.90 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.76 2kiv h GLN 53 CO -0.33 -0.27 -0.33 -0.09 -0.67 0.00 0.00 178.83 177.14 2kiv h ARG 54 N -0.63 -0.57 -0.33 1.46 9.65 -1.40 -1.08 114.38 121.48 2kiv h ARG 54 Ca -0.05 0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2kiv h ARG 54 Cb 0.46 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.15 2kiv h ARG 54 CO 0.09 -0.38 0.22 0.82 2.80 0.00 0.00 179.97 183.52 2kiv h ILE 55 N -0.59 1.07 0.77 1.20 2.04 -1.24 -0.48 117.51 120.28 2kiv h ILE 55 Ca 0.02 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 2kiv h ILE 55 Cb 0.60 0.61 0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2kiv h ILE 55 CO -0.16 0.08 -0.37 -0.07 0.00 0.00 0.00 178.15 177.62 2kiv h LEU 56 N 0.43 -0.87 -1.44 1.44 3.38 0.32 0.27 115.31 118.83 2kiv h LEU 56 Ca 0.13 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2kiv h LEU 56 Cb -0.01 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2kiv h LEU 56 CO -0.03 -0.58 -0.02 -0.61 0.09 0.00 0.00 178.44 177.29 2kiv h GLN 57 N -1.11 0.34 -0.38 1.13 4.15 -1.03 0.46 115.11 118.66 2kiv h GLN 57 Ca -0.11 -0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.10 2kiv h GLN 57 Cb 0.80 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 2kiv h GLN 57 CO 0.17 0.38 -0.36 0.00 -1.93 0.00 0.00 178.83 177.09 2kiv h ALA 58 N 1.66 0.55 0.00 3.38 0.00 -0.91 0.25 119.26 124.19 2kiv h ALA 58 Ca 0.07 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2kiv h ALA 58 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kiv h ALA 58 CO 0.01 0.64 -0.43 1.51 0.00 0.00 0.00 179.25 180.98 2kiv n ILE 59 N -4.09 0.24 -0.00 0.00 0.13 0.92 0.28 119.36 116.84 2kiv n ILE 59 Ca -0.02 -0.16 0.06 0.00 -1.10 0.00 0.00 62.75 61.52 2kiv n ILE 59 Cb 0.53 -0.13 -0.13 0.00 -0.84 0.00 0.00 39.64 39.07 2kiv n ILE 59 CO 0.00 0.00 0.00 1.67 2.80 0.00 0.00 176.55 181.02 2kiv n GLN 60 N -1.88 0.65 -0.02 9.51 7.27 0.16 -4.62 117.38 128.45 2kiv n GLN 60 Ca 0.05 -0.07 -0.03 0.00 0.07 0.00 0.00 57.00 57.01 2kiv n GLN 60 Cb 0.40 -1.60 -0.02 0.00 2.41 0.00 0.00 30.24 31.43 2kiv n GLN 60 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2kiv n LEU 61 N -2.48 2.85 -1.43 1.69 0.00 0.87 -5.03 117.00 113.47 2kiv n LEU 61 Ca -0.09 -0.02 0.13 0.00 0.00 0.00 0.00 56.01 56.03 2kiv n LEU 61 Cb 0.70 -0.16 -0.07 0.00 0.00 0.00 0.00 43.42 43.89 2kiv n LEU 61 CO 0.44 0.55 -0.59 0.18 0.00 0.00 0.00 177.39 177.97 2kiv n LEU 62 N -2.67 -1.16 -4.77 -1.96 7.99 0.14 -4.89 117.00 109.69 2kiv n LEU 62 Ca -0.08 2.46 -0.32 0.00 -0.01 0.00 0.00 56.01 58.05 2kiv n LEU 62 Cb 0.59 -2.97 0.06 0.00 -0.11 0.00 0.00 43.42 41.00 2kiv n LEU 62 CO 0.04 -1.77 0.72 -2.16 -1.51 0.00 0.00 177.39 172.72 2kiv s PRO 63 N -4.54 2.58 0.21 3.23 0.04 -1.26 -4.95 135.00 130.32 2kiv s PRO 63 Ca 0.00 1.30 -0.09 0.00 0.04 0.00 0.00 61.00 62.26 2kiv s PRO 63 Cb 0.00 -1.93 0.30 0.00 0.04 0.00 0.00 34.50 32.91 2kiv s PRO 63 CO 0.00 -1.41 1.75 1.57 0.04 0.00 0.00 177.00 178.96 2kiv h LYS 64 N -0.43 0.45 -7.28 4.56 2.10 -2.01 -3.40 116.57 110.55 2kiv h LYS 64 Ca -0.45 -0.03 -0.50 0.00 -2.00 0.00 0.00 60.65 57.67 2kiv h LYS 64 Cb 1.24 -0.10 0.17 0.00 -0.90 0.00 0.00 32.23 32.64 2kiv h LYS 64 CO 0.53 0.30 0.23 1.41 -2.00 0.00 0.00 179.45 179.92 2kiv s MET 65 N -6.08 1.17 -0.49 0.07 1.75 -1.26 -3.84 119.30 110.62 2kiv s MET 65 Ca -0.13 1.17 -0.06 0.00 -1.25 0.00 0.00 55.69 55.42 2kiv s MET 65 Cb 0.17 -1.77 0.01 0.00 2.84 0.00 0.00 34.83 36.08 2kiv s MET 65 CO 0.75 -2.40 0.32 2.89 -0.65 0.00 0.00 175.02 175.93 2kiv n ARG 66 N -4.04 -0.74 -0.07 4.11 0.00 -1.26 -4.82 116.66 109.84 2kiv n ARG 66 Ca 0.09 0.18 -0.13 0.00 -0.00 0.00 0.00 57.85 57.99 2kiv n ARG 66 Cb 0.53 -1.01 -0.06 0.00 -0.00 0.00 0.00 32.46 31.92 2kiv n ARG 66 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2kiv h PRO 67 N 0.28 0.52 -2.50 2.89 0.13 -1.78 -3.47 132.00 128.07 2kiv h PRO 67 Ca -0.34 -0.27 -0.09 0.00 -0.87 0.00 0.00 66.00 64.43 2kiv h PRO 67 Cb 0.72 0.01 -0.21 0.00 0.13 0.00 0.00 31.00 31.65 2kiv h PRO 67 CO 0.21 0.85 -0.07 -1.50 -0.23 0.00 0.00 178.00 177.27 2kiv s ILE 68 N -4.34 0.02 0.00 -3.56 1.10 -1.26 -5.06 121.20 108.10 2kiv s ILE 68 Ca -0.13 -0.14 0.00 0.00 -0.51 0.00 0.00 60.65 59.86 2kiv s ILE 68 Cb 0.07 -0.78 0.00 0.00 0.15 0.00 0.00 42.46 41.90 2kiv s ILE 68 CO 0.79 -0.08 0.00 0.61 -2.11 0.00 0.00 174.94 174.15 2kiv n GLY 69 N 1.78 1.91 3.08 1.50 0.00 -1.26 -5.14 105.19 107.07 2kiv n GLY 69 Ca -0.18 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 2kiv n GLY 69 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kiv s HIS 70 N 4.14 1.37 -0.02 1.61 -3.43 -1.26 -5.07 115.29 112.64 2kiv s HIS 70 Ca 0.00 -0.36 -0.01 0.00 -0.80 0.00 0.00 55.06 53.89 2kiv s HIS 70 Cb 0.00 -0.93 -0.00 0.00 -1.43 0.00 0.00 32.58 30.21 2kiv s HIS 70 CO 0.00 -0.12 -0.03 -3.47 -2.00 0.00 0.00 174.74 169.12 2kiv n ASP 71 N 3.14 0.17 -0.43 7.38 -0.08 -1.26 -5.13 116.55 120.34 2kiv n ASP 71 Ca -0.18 0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 2kiv n ASP 71 Cb 0.54 -0.53 0.00 0.00 2.34 0.00 0.00 41.12 43.47 2kiv n ASP 71 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kiv n GLY 72 N 1.60 -3.00 3.13 0.27 0.00 -1.26 -5.11 105.19 100.82 2kiv n GLY 72 Ca -0.01 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 2kiv n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kiv s ALA 73 N -0.00 -0.41 -0.08 4.61 0.00 -1.26 -5.10 121.76 119.52 2kiv s ALA 73 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.61 2kiv s ALA 73 Cb 0.00 0.10 0.11 0.00 0.00 0.00 0.00 23.12 23.34 2kiv s ALA 73 CO 0.00 -0.22 0.96 -3.38 0.00 0.00 0.00 175.76 173.13 2kiv s HIS 74 N -1.37 -0.32 -0.19 0.00 -3.43 -1.26 -5.13 115.29 103.59 2kiv s HIS 74 Ca -0.14 0.31 -0.29 0.00 -0.80 0.00 0.00 55.06 54.13 2kiv s HIS 74 Cb -0.07 0.51 -0.03 0.00 -1.43 0.00 0.00 32.58 31.56 2kiv s HIS 74 CO 0.02 -0.44 1.59 -1.25 -2.00 0.00 0.00 174.74 172.66 2kiv s PRO 75 N -2.46 3.90 0.29 -0.38 0.04 -1.26 -4.96 135.00 130.17 2kiv s PRO 75 Ca 0.04 1.75 -0.20 0.00 0.04 0.00 0.00 61.00 62.63 2kiv s PRO 75 Cb -0.01 -4.00 0.04 0.00 0.04 0.00 0.00 34.50 30.57 2kiv s PRO 75 CO -0.05 -1.17 0.81 0.95 0.04 0.00 0.00 177.00 177.58 2kiv s THR 76 N 4.85 0.00 1.00 1.26 -4.23 -1.26 -5.11 115.64 112.15 2kiv s THR 76 Ca 0.70 -0.91 -0.15 0.00 -1.18 0.00 0.00 61.69 60.15 2kiv s THR 76 Cb -0.26 -2.35 0.19 0.00 1.34 0.00 0.00 72.50 71.42 2kiv s THR 76 CO 0.28 0.00 1.17 -0.44 -0.54 0.00 0.00 174.62 175.09 2kiv s SER 77 N -3.01 2.75 0.26 3.99 0.01 -1.26 -3.81 113.70 112.63 2kiv s SER 77 Ca 0.14 0.72 -0.02 0.00 1.31 0.00 0.00 55.95 58.10 2kiv s SER 77 Cb -0.05 -1.09 0.47 0.00 0.21 0.00 0.00 66.02 65.56 2kiv s SER 77 CO 0.08 -3.00 1.82 0.58 0.41 0.00 0.00 173.24 173.13 2kiv h VAL 78 N -1.81 0.91 0.00 3.43 2.07 -1.81 -0.69 116.25 118.35 2kiv h VAL 78 Ca -0.48 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2kiv h VAL 78 Cb 1.30 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2kiv h VAL 78 CO 0.49 0.16 0.00 0.00 0.02 0.00 0.00 177.57 178.24 2kiv n ALA 79 N -2.37 -0.31 -0.35 1.67 0.00 -1.26 -0.28 120.51 117.61 2kiv n ALA 79 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.73 2kiv n ALA 79 Cb 0.31 0.16 0.32 0.00 0.00 0.00 0.00 19.45 20.24 2kiv n ALA 79 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kiv h GLU 80 N 0.00 0.75 0.12 0.00 4.39 -1.91 0.17 114.58 118.11 2kiv h GLU 80 Ca 0.00 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2kiv h GLU 80 Cb 0.00 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.48 2kiv h GLU 80 CO 0.00 0.50 -0.08 2.35 -1.16 0.00 0.00 179.01 180.62 2kiv h TRP 81 N 0.78 -0.21 -0.59 4.33 7.01 -0.81 -2.60 115.95 123.85 2kiv h TRP 81 Ca 0.57 -0.00 0.17 0.00 2.11 0.00 0.00 58.89 61.75 2kiv h TRP 81 Cb 0.88 0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.99 2kiv h TRP 81 CO -0.01 -0.12 0.48 -0.07 -2.79 0.00 0.00 178.44 175.94 2kiv h LEU 82 N -0.19 0.00 -2.35 0.65 3.38 -0.36 0.23 115.31 116.67 2kiv h LEU 82 Ca -0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2kiv h LEU 82 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2kiv h LEU 82 CO 0.01 0.00 0.18 -0.78 0.09 0.00 0.00 178.44 177.94 2kiv h ASP 83 N 0.00 0.00 0.00 -0.43 3.58 -0.56 0.18 116.42 119.19 2kiv h ASP 83 Ca 0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.73 2kiv h ASP 83 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 2kiv h ASP 83 CO -0.00 0.00 -1.19 -0.24 -2.88 0.00 0.00 179.24 174.93 2kiv n SER 84 N -3.52 0.79 -0.85 2.28 2.88 0.80 -4.16 113.62 111.85 2kiv n SER 84 Ca -0.00 -0.78 0.06 0.00 -1.33 0.00 0.00 58.87 56.82 2kiv n SER 84 Cb 0.28 1.21 0.18 0.00 -0.75 0.00 0.00 64.21 65.13 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 -1.65 0.75 -1.15 2.46 2.08 0.59 -4.87 119.36 117.57 2kiv n ILE 85 Ca 0.02 -0.58 -0.05 0.00 0.56 0.00 0.00 62.75 62.70 2kiv n ILE 85 Cb 0.37 0.11 -0.02 0.00 -0.75 0.00 0.00 39.64 39.35 2kiv n ILE 85 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2kiv n GLU 86 N 0.58 -1.18 -3.86 0.38 4.71 -1.13 -4.92 120.64 115.22 2kiv n GLU 86 Ca 0.14 0.57 -0.26 0.00 -0.01 0.00 0.00 57.16 57.60 2kiv n GLU 86 Cb 0.43 -4.59 -0.00 0.00 -1.01 0.00 0.00 31.44 26.26 2kiv n GLU 86 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2kiv s LEU 87 N -1.17 2.72 0.07 -4.62 2.01 -0.96 -5.04 118.68 111.70 2kiv s LEU 87 Ca 0.00 -1.23 0.00 0.00 0.01 0.00 0.00 54.13 52.91 2kiv s LEU 87 Cb 0.00 -1.21 0.00 0.00 0.01 0.00 0.00 46.19 44.99 2kiv s LEU 87 CO 0.00 -1.10 0.00 0.61 1.01 0.00 0.00 176.35 176.87 2kiv n GLY 88 N -1.77 -0.75 0.36 -3.19 0.00 -1.26 -4.18 105.19 94.39 2kiv n GLY 88 Ca -0.01 0.20 0.16 0.00 0.00 0.00 0.00 46.02 46.36 2kiv n GLY 88 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kiv h ASP 89 N 0.00 0.70 -0.79 1.61 3.32 -1.99 0.27 116.42 119.54 2kiv h ASP 89 Ca 0.00 0.10 0.20 0.00 0.02 0.00 0.00 57.03 57.35 2kiv h ASP 89 Cb 0.00 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 2kiv h ASP 89 CO 0.00 0.21 0.54 1.88 -1.72 0.00 0.00 179.24 180.15 2kiv h TYR 90 N 0.66 0.27 -1.16 4.55 0.05 -2.01 -0.63 116.97 118.70 2kiv h TYR 90 Ca 0.59 0.01 0.34 0.00 0.05 0.00 0.00 58.73 59.72 2kiv h TYR 90 Cb 1.07 -0.08 -0.10 0.00 1.01 0.00 0.00 36.73 38.62 2kiv h TYR 90 CO -0.00 0.08 0.76 1.15 -1.05 0.00 0.00 178.16 179.10 2kiv h THR 91 N 0.22 0.36 0.54 -2.88 2.02 -0.84 0.27 112.91 112.60 2kiv h THR 91 Ca 0.39 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.46 2kiv h THR 91 Cb 1.21 0.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2kiv h THR 91 CO -0.08 0.04 -0.26 0.50 0.37 0.00 0.00 175.52 176.09 2kiv h LYS 92 N 0.24 -0.70 -0.26 6.66 3.64 -1.27 -0.63 116.57 124.25 2kiv h LYS 92 Ca 0.68 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 60.11 2kiv h LYS 92 Cb 1.99 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.95 2kiv h LYS 92 CO -0.32 -0.39 0.16 0.00 -2.27 0.00 0.00 179.45 176.63 2kiv h ALA 93 N -0.69 0.34 -0.43 5.00 0.00 -1.21 -1.15 119.26 121.12 2kiv h ALA 93 Ca -0.07 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.85 2kiv h ALA 93 Cb 0.63 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2kiv h ALA 93 CO 0.12 -0.17 0.16 0.74 0.00 0.00 0.00 179.25 180.10 2kiv h PHE 94 N 0.34 0.28 0.86 0.00 -1.00 -0.59 0.25 116.94 117.08 2kiv h PHE 94 Ca 0.10 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.85 2kiv h PHE 94 Cb 0.00 -0.06 0.01 0.00 3.61 0.00 0.00 35.95 39.51 2kiv h PHE 94 CO -0.05 0.11 -0.41 -0.07 -1.61 0.00 0.00 178.31 176.28 2kiv h LEU 95 N 0.33 -0.97 -2.20 1.54 3.38 -0.88 0.18 115.31 116.69 2kiv h LEU 95 Ca 0.20 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.26 2kiv h LEU 95 Cb 0.18 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2kiv h LEU 95 CO -0.20 -0.67 0.24 0.16 0.09 0.00 0.00 178.44 178.07 2kiv h ILE 96 N -1.20 0.40 0.00 1.22 3.07 -1.11 0.21 117.51 120.10 2kiv h ILE 96 Ca -0.12 0.00 -0.12 0.00 1.55 0.00 0.00 64.86 66.18 2kiv h ILE 96 Cb 0.88 0.80 -0.02 0.00 -0.27 0.00 0.00 36.82 38.22 2kiv h ILE 96 CO 0.19 0.00 -0.55 0.78 -1.05 0.00 0.00 178.15 177.52 2kiv h ASN 97 N 0.00 0.00 0.00 2.16 -0.26 -0.11 -3.47 115.58 113.89 2kiv h ASN 97 Ca 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 2kiv h ASN 97 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 2kiv h ASN 97 CO -0.00 0.55 0.00 0.61 -1.06 0.00 0.00 177.43 177.53 2kiv n GLY 98 N 0.65 1.35 3.54 2.83 0.00 0.75 -5.06 105.19 109.25 2kiv n GLY 98 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2kiv n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kiv s TYR 99 N -2.00 2.37 -0.20 1.61 2.02 0.56 -4.76 117.35 116.95 2kiv s TYR 99 Ca 0.00 -0.26 -0.08 0.00 -0.37 0.00 0.00 57.07 56.36 2kiv s TYR 99 Cb 0.00 -4.61 -0.09 0.00 -0.40 0.00 0.00 41.96 36.86 2kiv s TYR 99 CO 0.00 -2.01 -0.24 0.25 -1.57 0.00 0.00 175.55 171.98 2kiv n THR 100 N 6.43 1.09 -3.83 -0.71 -2.24 -1.26 -4.39 114.28 109.37 2kiv n THR 100 Ca 0.09 -0.30 -0.37 0.00 -2.27 0.00 0.00 64.05 61.20 2kiv n THR 100 Cb 0.49 -1.67 -0.06 0.00 -2.10 0.00 0.00 70.33 66.99 2kiv n THR 100 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kiv s SER 101 N -6.63 6.37 0.40 3.42 0.01 -1.26 -3.70 113.70 112.30 2kiv s SER 101 Ca -0.28 0.44 0.08 0.00 1.31 0.00 0.00 55.95 57.50 2kiv s SER 101 Cb 0.10 -2.08 0.81 0.00 0.21 0.00 0.00 66.02 65.06 2kiv s SER 101 CO 0.37 0.35 1.98 0.00 0.41 0.00 0.00 173.24 176.35 2kiv h MET 102 N 5.36 0.40 -0.89 12.44 -0.00 -1.89 -2.52 114.93 127.83 2kiv h MET 102 Ca -0.52 -0.06 0.16 0.00 -0.00 0.00 0.00 59.70 59.28 2kiv h MET 102 Cb 1.21 -0.07 -0.10 0.00 -0.00 0.00 0.00 31.60 32.64 2kiv h MET 102 CO 0.62 0.38 0.48 0.38 -0.00 0.00 0.00 176.91 178.77 2kiv h ASP 103 N 0.40 0.60 -0.16 -0.10 3.04 -1.94 0.22 116.42 118.48 2kiv h ASP 103 Ca 0.10 0.09 0.03 0.00 -3.24 0.00 0.00 57.03 54.01 2kiv h ASP 103 Cb 0.16 -0.01 -0.01 0.00 -1.04 0.00 0.00 39.33 38.43 2kiv h ASP 103 CO -0.00 0.24 0.11 -0.07 -2.04 0.00 0.00 179.24 177.48 2kiv h LEU 104 N 0.67 0.07 -2.38 0.15 3.38 -1.87 -0.19 115.31 115.13 2kiv h LEU 104 Ca 0.49 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.45 2kiv h LEU 104 Cb 0.70 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 2kiv h LEU 104 CO -0.36 0.05 -0.03 -0.07 0.09 0.00 0.00 178.44 178.11 2kiv h LEU 105 N 0.08 0.00 -2.48 1.67 3.38 -0.66 0.17 115.31 117.47 2kiv h LEU 105 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2kiv h LEU 105 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2kiv h LEU 105 CO -0.01 0.03 0.00 1.17 0.09 0.00 0.00 178.44 179.73 2kiv n LYS 106 N -3.64 3.20 -0.18 1.13 4.81 -0.08 -3.88 118.16 119.53 2kiv n LYS 106 Ca -0.03 -2.08 0.09 0.00 -0.87 0.00 0.00 58.31 55.43 2kiv n LYS 106 Cb 0.13 -1.82 0.14 0.00 0.02 0.00 0.00 35.03 33.50 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 0.63 1.24 -4.34 1.64 3.00 0.05 -5.04 118.16 115.34 2kiv n LYS 107 Ca 0.19 -2.59 -0.18 0.00 -0.00 0.00 0.00 58.31 55.73 2kiv n LYS 107 Cb 0.75 -1.45 -0.10 0.00 0.00 0.00 0.00 35.03 34.23 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 -2.74 1.38 0.52 3.15 -4.36 -1.25 -5.10 121.20 112.80 2kiv s ILE 108 Ca 0.31 -2.10 0.04 0.00 -0.26 0.00 0.00 60.65 58.64 2kiv s ILE 108 Cb 0.28 -2.20 0.01 0.00 1.25 0.00 0.00 42.46 41.80 2kiv s ILE 108 CO 0.01 -0.47 0.24 0.00 0.24 0.00 0.00 174.94 174.97 2kiv s ALA 109 N -3.19 4.27 0.10 2.27 0.00 -1.26 -4.98 121.76 118.97 2kiv s ALA 109 Ca 0.25 -0.99 -0.34 0.00 0.00 0.00 0.00 51.96 50.88 2kiv s ALA 109 Cb 0.03 -0.43 -0.15 0.00 0.00 0.00 0.00 23.12 22.57 2kiv s ALA 109 CO 0.07 -0.27 1.57 1.49 0.00 0.00 0.00 175.76 178.62 2kiv h GLU 110 N 1.01 -0.81 -0.86 0.00 4.57 -2.02 -0.36 114.58 116.12 2kiv h GLU 110 Ca -0.40 0.06 0.16 0.00 -1.18 0.00 0.00 59.36 58.00 2kiv h GLU 110 Cb 1.30 0.18 -0.10 0.00 -0.16 0.00 0.00 28.75 29.98 2kiv h GLU 110 CO 0.64 -0.54 0.43 -0.24 -1.18 0.00 0.00 179.01 178.12 2kiv h VAL 111 N -0.84 0.67 -0.65 0.32 3.04 -1.97 0.01 116.25 116.83 2kiv h VAL 111 Ca -0.02 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 2kiv h VAL 111 Cb 0.79 0.05 -0.03 0.00 -2.01 0.00 0.00 31.29 30.09 2kiv h VAL 111 CO -0.18 0.10 0.41 -0.33 -1.01 0.00 0.00 177.57 176.56 2kiv h GLU 112 N 0.57 0.87 -0.59 4.17 4.39 -1.78 0.45 114.58 122.66 2kiv h GLU 112 Ca 0.49 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 60.05 2kiv h GLU 112 Cb 0.75 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 2kiv h GLU 112 CO -0.40 0.59 0.07 1.25 -1.16 0.00 0.00 179.01 179.36 2kiv h LEU 113 N 0.88 0.93 0.00 1.33 5.85 0.65 0.35 115.31 125.30 2kiv h LEU 113 Ca 0.24 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2kiv h LEU 113 Cb -0.07 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.72 2kiv h LEU 113 CO -0.05 0.95 -0.02 0.40 -0.34 0.00 0.00 178.44 179.38 2kiv h ILE 114 N 0.91 0.00 0.00 4.05 2.04 -0.68 0.43 117.51 124.25 2kiv h ILE 114 Ca 0.18 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.28 2kiv h ILE 114 Cb 0.44 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2kiv h ILE 114 CO 0.01 0.00 -1.46 0.59 0.00 0.00 0.00 178.15 177.29 2kiv n ASN 115 N -2.70 0.43 -0.06 1.72 4.13 0.15 -3.14 115.26 115.80 2kiv n ASN 115 Ca 0.05 0.08 -0.12 0.00 1.68 0.00 0.00 54.58 56.27 2kiv n ASN 115 Cb 0.48 1.21 -0.04 0.00 -1.54 0.00 0.00 39.78 39.90 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 -2.36 1.18 0.00 2.41 0.31 0.12 -4.75 118.33 115.24 2kiv n VAL 116 Ca -0.01 0.01 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 2kiv n VAL 116 Cb 0.54 -1.90 -0.12 0.00 -0.91 0.00 0.00 33.84 31.45 2kiv n VAL 116 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2kiv n LEU 117 N -3.94 0.85 -2.93 7.52 7.99 0.83 -5.00 117.00 122.32 2kiv n LEU 117 Ca -0.21 0.39 -0.14 0.00 -0.01 0.00 0.00 56.01 56.05 2kiv n LEU 117 Cb 0.52 0.13 0.07 0.00 -0.11 0.00 0.00 43.42 44.03 2kiv n LEU 117 CO 0.08 0.28 0.09 1.17 -1.51 0.00 0.00 177.39 177.50 2kiv n LYS 118 N -2.97 -5.34 -3.14 3.23 3.00 0.11 -4.95 118.16 108.10 2kiv n LYS 118 Ca -0.14 0.67 -0.45 0.00 -0.00 0.00 0.00 58.31 58.40 2kiv n LYS 118 Cb 0.96 -5.18 -0.04 0.00 0.00 0.00 0.00 35.03 30.77 2kiv n LYS 118 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2kiv s ILE 119 N -3.28 4.95 -0.16 3.15 1.01 -1.24 -4.84 121.20 120.78 2kiv s ILE 119 Ca 0.03 -1.28 0.21 0.00 0.00 0.00 0.00 60.65 59.61 2kiv s ILE 119 Cb -0.01 -4.50 -0.12 0.00 0.01 0.00 0.00 42.46 37.84 2kiv s ILE 119 CO 0.58 -1.12 0.82 0.59 0.00 0.00 0.00 174.94 175.81 2kiv n ASN 120 N 5.95 0.60 -4.65 3.58 3.02 -1.26 -4.77 115.26 117.72 2kiv n ASN 120 Ca -0.04 0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 54.32 2kiv n ASN 120 Cb 0.43 0.83 -0.03 0.00 -0.61 0.00 0.00 39.78 40.41 2kiv n ASN 120 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2kiv s LEU 121 N -5.21 4.21 0.22 3.41 2.96 -1.26 -4.89 118.68 118.13 2kiv s LEU 121 Ca -0.03 2.19 -0.07 0.00 -0.22 0.00 0.00 54.13 55.99 2kiv s LEU 121 Cb 0.10 -3.53 0.32 0.00 0.50 0.00 0.00 46.19 43.59 2kiv s LEU 121 CO 0.83 -1.08 1.77 0.40 -1.32 0.00 0.00 176.35 176.95 2kiv h ILE 122 N 5.79 0.82 0.00 6.68 2.04 -1.88 -0.55 117.51 130.42 2kiv h ILE 122 Ca -0.40 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.27 2kiv h ILE 122 Cb 1.19 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2kiv h ILE 122 CO 0.96 0.10 0.00 0.61 0.00 0.00 0.00 178.15 179.82 2kiv n GLY 123 N -1.30 -2.88 0.27 5.37 0.00 0.21 0.18 105.19 107.05 2kiv n GLY 123 Ca 0.10 0.23 -0.05 0.00 0.00 0.00 0.00 46.02 46.30 2kiv n GLY 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2kiv h HIS 124 N 0.00 -0.59 0.04 1.61 3.86 -1.79 0.22 115.15 118.50 2kiv h HIS 124 Ca 0.00 0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 2kiv h HIS 124 Cb 0.00 0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 2kiv h HIS 124 CO -0.11 -0.31 -0.22 -0.09 0.86 0.00 0.00 177.93 178.06 2kiv h ARG 125 N -0.14 -0.29 -0.91 2.45 2.43 -1.05 -1.11 114.38 115.75 2kiv h ARG 125 Ca 0.21 0.02 0.21 0.00 -0.81 0.00 0.00 59.98 59.60 2kiv h ARG 125 Cb 0.47 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.02 2kiv h ARG 125 CO -0.53 -0.20 0.60 -0.22 -1.51 0.00 0.00 179.97 178.12 2kiv h LYS 126 N -0.30 0.39 0.28 0.20 3.64 0.05 0.24 116.57 121.07 2kiv h LYS 126 Ca -0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2kiv h LYS 126 Cb 0.31 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2kiv h LYS 126 CO -0.13 0.26 -0.19 -0.09 -2.27 0.00 0.00 179.45 177.03 2kiv h ARG 127 N 0.40 -0.43 -0.52 1.90 2.43 0.55 0.26 114.38 118.98 2kiv h ARG 127 Ca 0.48 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.65 2kiv h ARG 127 Cb 1.20 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.82 2kiv h ARG 127 CO -0.18 -0.29 0.20 -0.84 -1.51 0.00 0.00 179.97 177.35 2kiv h ILE 128 N -0.45 1.19 0.99 1.20 3.07 -0.83 0.48 117.51 123.16 2kiv h ILE 128 Ca -0.04 -0.62 -0.05 0.00 1.55 0.00 0.00 64.86 65.71 2kiv h ILE 128 Cb 0.36 0.58 0.01 0.00 -0.27 0.00 0.00 36.82 37.50 2kiv h ILE 128 CO 0.03 0.24 -0.48 0.25 -1.05 0.00 0.00 178.15 177.14 2kiv h LEU 129 N 0.74 -1.13 -1.57 0.16 5.85 -0.43 0.15 115.31 119.09 2kiv h LEU 129 Ca 0.18 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 2kiv h LEU 129 Cb 0.16 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2kiv h LEU 129 CO -0.02 -0.80 -0.18 0.00 -0.34 0.00 0.00 178.44 177.10 2kiv h ALA 130 N -1.33 1.65 0.14 1.25 0.00 -0.41 0.97 119.26 121.53 2kiv h ALA 130 Ca -0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2kiv h ALA 130 Cb 1.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2kiv h ALA 130 CO 0.22 0.26 -0.07 1.03 0.00 0.00 0.00 179.25 180.70 2kiv h SER 131 N 0.04 -0.16 0.12 0.00 0.87 -0.68 -3.32 113.55 110.42 2kiv h SER 131 Ca 0.01 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 2kiv h SER 131 Cb 0.35 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2kiv h SER 131 CO 0.02 0.22 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.41 2kiv h LEU 132 N -0.56 -0.14 0.00 2.23 3.38 -0.56 -3.49 115.31 116.17 2kiv h LEU 132 Ca -0.02 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2kiv h LEU 132 Cb 0.43 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2kiv h LEU 132 CO 0.03 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.49 2kiv n GLY 133 N 0.13 4.79 3.33 0.83 0.00 0.32 -5.03 105.19 109.56 2kiv n GLY 133 Ca -0.09 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 44.93 2kiv n GLY 133 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kiv s ASP 134 N 1.35 1.68 0.00 1.61 -4.77 -1.26 -3.69 116.67 111.59 2kiv s ASP 134 Ca 0.00 -1.27 0.31 0.00 -3.30 0.00 0.00 52.55 48.29 2kiv s ASP 134 Cb 0.00 0.05 1.75 0.00 -1.09 0.00 0.00 42.92 43.63 2kiv s ASP 134 CO 0.00 -0.58 2.14 -1.14 0.70 0.00 0.00 175.17 176.29