#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm0 n SER 2 N 0.00 1.58 -4.50 1.61 7.64 -1.26 -5.06 113.62 113.63 2dm0 n SER 2 Ca 0.00 0.25 -0.25 0.00 1.01 0.00 0.00 58.87 59.88 2dm0 n SER 2 Cb 0.00 -0.58 -0.10 0.00 -1.01 0.00 0.00 64.21 62.52 2dm0 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dm0 s SER 3 N -5.91 3.80 0.00 6.43 0.15 -1.26 -5.04 113.70 111.87 2dm0 s SER 3 Ca -0.17 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 55.64 2dm0 s SER 3 Cb 0.02 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 2dm0 s SER 3 CO 0.25 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.38 2dm0 n GLY 4 N -0.24 0.63 3.20 9.45 0.00 -1.26 -5.15 105.19 111.82 2dm0 n GLY 4 Ca -0.09 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 2dm0 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm0 s SER 5 N 0.00 3.34 -0.16 1.61 1.04 -1.26 -5.02 113.70 113.25 2dm0 s SER 5 Ca 0.00 -0.55 -0.22 0.00 0.48 0.00 0.00 55.95 55.65 2dm0 s SER 5 Cb 0.00 -1.50 -0.20 0.00 0.10 0.00 0.00 66.02 64.42 2dm0 s SER 5 CO 0.00 0.07 0.44 0.77 0.98 0.00 0.00 173.24 175.50 2dm0 h SER 6 N 7.39 0.00 -2.95 7.02 4.64 -2.05 -3.51 113.55 124.09 2dm0 h SER 6 Ca -0.34 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.31 2dm0 h SER 6 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2dm0 h SER 6 CO 0.57 1.13 0.00 0.61 -0.87 0.00 0.00 176.83 178.26 2dm0 n GLY 7 N 1.56 3.89 3.04 -0.77 0.00 -1.26 -5.05 105.19 106.60 2dm0 n GLY 7 Ca -0.17 -1.38 -0.17 0.00 0.00 0.00 0.00 46.02 44.31 2dm0 n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dm0 n ASN 8 N 0.00 -4.16 -4.84 1.61 4.13 -1.26 -5.00 115.26 105.74 2dm0 n ASN 8 Ca 0.00 -0.44 -0.36 0.00 1.68 0.00 0.00 54.58 55.46 2dm0 n ASN 8 Cb 0.00 -4.06 -0.06 0.00 -1.54 0.00 0.00 39.78 34.13 2dm0 n ASN 8 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2dm0 s LYS 9 N -5.66 3.96 0.08 3.52 2.47 -1.26 -5.00 119.74 117.85 2dm0 s LYS 9 Ca 0.29 0.45 -0.27 0.00 -1.56 0.00 0.00 55.97 54.88 2dm0 s LYS 9 Cb -0.13 -3.03 -0.15 0.00 -1.46 0.00 0.00 37.83 33.07 2dm0 s LYS 9 CO 0.57 0.55 0.63 -0.89 0.16 0.00 0.00 175.35 176.37 2dm0 n ILE 10 N 1.09 0.80 -2.88 5.43 -0.00 -1.26 -4.82 119.36 117.73 2dm0 n ILE 10 Ca -0.08 -0.20 -0.43 0.00 -0.00 0.00 0.00 62.75 62.04 2dm0 n ILE 10 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.12 2dm0 n ILE 10 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 2dm0 s THR 11 N -0.40 4.46 -0.48 1.39 2.01 -1.26 -5.00 115.64 116.37 2dm0 s THR 11 Ca 0.62 -0.78 -0.21 0.00 0.31 0.00 0.00 61.69 61.63 2dm0 s THR 11 Cb -0.88 -4.71 0.04 0.00 0.01 0.00 0.00 72.50 66.95 2dm0 s THR 11 CO 0.45 -1.47 0.69 0.54 -0.69 0.00 0.00 174.62 174.14 2dm0 s ASN 12 N 3.70 6.30 -0.17 3.53 4.22 -1.26 -4.86 114.94 126.41 2dm0 s ASN 12 Ca 0.25 -0.49 0.02 0.00 -2.14 0.00 0.00 52.86 50.51 2dm0 s ASN 12 Cb -0.13 -2.33 -0.12 0.00 1.28 0.00 0.00 41.25 39.94 2dm0 s ASN 12 CO 0.03 -0.89 -0.14 0.18 -2.04 0.00 0.00 177.10 174.25 2dm0 n LEU 13 N 6.45 2.68 -0.35 3.54 4.77 -1.26 -4.53 117.00 128.30 2dm0 n LEU 13 Ca -0.02 -0.09 0.26 0.00 -0.03 0.00 0.00 56.01 56.13 2dm0 n LEU 13 Cb 0.47 -0.52 0.51 0.00 -2.33 0.00 0.00 43.42 41.55 2dm0 n LEU 13 CO 0.56 0.75 1.14 1.05 -1.33 0.00 0.00 177.39 179.56 2dm0 h GLU 14 N 0.00 0.28 -1.07 3.23 4.11 -1.89 0.50 114.58 119.74 2dm0 h GLU 14 Ca -0.39 -0.02 0.29 0.00 0.07 0.00 0.00 59.36 59.31 2dm0 h GLU 14 Cb 1.64 -0.06 -0.11 0.00 0.50 0.00 0.00 28.75 30.72 2dm0 h GLU 14 CO -0.05 0.18 0.68 -0.84 0.07 0.00 0.00 179.01 179.05 2dm0 h ILE 15 N 0.29 0.45 -4.60 -1.06 3.07 -1.97 -3.41 117.51 110.28 2dm0 h ILE 15 Ca 0.74 -0.13 -0.47 0.00 1.55 0.00 0.00 64.86 66.55 2dm0 h ILE 15 Cb 1.82 0.05 0.10 0.00 -0.27 0.00 0.00 36.82 38.52 2dm0 h ILE 15 CO -0.55 0.07 0.41 -0.31 -1.05 0.00 0.00 178.15 176.72 2dm0 s TYR 16 N -5.51 2.91 -0.17 0.16 2.02 0.17 -5.02 117.35 111.92 2dm0 s TYR 16 Ca -0.09 0.74 0.09 0.00 -0.37 0.00 0.00 57.07 57.44 2dm0 s TYR 16 Cb 0.27 -3.52 -0.16 0.00 -0.40 0.00 0.00 41.96 38.14 2dm0 s TYR 16 CO 0.80 -1.80 -0.03 -0.85 -1.57 0.00 0.00 175.55 172.10 2dm0 n GLU 17 N -3.33 1.15 0.19 -0.62 0.00 -1.26 -4.38 120.64 112.39 2dm0 n GLU 17 Ca 0.08 0.04 0.14 0.00 0.00 0.00 0.00 57.16 57.41 2dm0 n GLU 17 Cb 0.61 -1.39 0.63 0.00 0.00 0.00 0.00 31.44 31.30 2dm0 n GLU 17 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 2dm0 h TRP 18 N 0.00 0.00 -1.37 -1.84 5.08 -1.80 -2.94 115.95 113.07 2dm0 h TRP 18 Ca -0.42 0.00 -0.73 0.00 1.08 0.00 0.00 58.89 58.83 2dm0 h TRP 18 Cb 1.84 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 27.87 2dm0 h TRP 18 CO 0.01 0.00 1.96 0.98 -1.28 0.00 0.00 178.44 180.11 2dm0 n TYR 19 N -2.46 4.21 -2.22 0.12 9.36 -1.26 -0.32 117.16 124.59 2dm0 n TYR 19 Ca 0.00 -3.05 -0.40 0.00 3.32 0.00 0.00 57.90 57.78 2dm0 n TYR 19 Cb 0.16 -2.28 -0.03 0.00 -0.63 0.00 0.00 39.34 36.55 2dm0 n TYR 19 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 2dm0 s HIS 20 N 2.11 1.90 0.31 2.98 3.76 -1.04 -4.82 115.29 120.48 2dm0 s HIS 20 Ca 0.45 0.51 0.06 0.00 -0.15 0.00 0.00 55.06 55.94 2dm0 s HIS 20 Cb 0.04 -4.27 -0.01 0.00 1.11 0.00 0.00 32.58 29.44 2dm0 s HIS 20 CO 0.01 -2.23 0.44 -0.98 -0.85 0.00 0.00 174.74 171.13 2dm0 s ARG 21 N 6.50 3.19 -1.18 1.40 1.70 -1.26 -4.28 118.95 125.02 2dm0 s ARG 21 Ca 0.57 -0.96 -0.07 0.00 -0.47 0.00 0.00 55.73 54.81 2dm0 s ARG 21 Cb -0.11 -2.83 0.01 0.00 -0.57 0.00 0.00 34.95 31.44 2dm0 s ARG 21 CO 0.20 0.15 1.03 0.09 -1.08 0.00 0.00 175.30 175.69 2dm0 n ASN 22 N -1.58 -5.32 -4.24 -2.89 3.02 -1.26 -5.01 115.26 97.99 2dm0 n ASN 22 Ca -0.02 -0.49 -0.26 0.00 -0.03 0.00 0.00 54.58 53.78 2dm0 n ASN 22 Cb 0.58 -4.52 -0.08 0.00 -0.61 0.00 0.00 39.78 35.14 2dm0 n ASN 22 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2dm0 s ILE 23 N -3.29 0.74 0.21 2.41 -4.36 -1.26 -5.16 121.20 110.49 2dm0 s ILE 23 Ca 0.44 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.88 2dm0 s ILE 23 Cb -0.20 -2.38 -0.05 0.00 1.25 0.00 0.00 42.46 41.09 2dm0 s ILE 23 CO 0.64 0.00 -0.05 0.28 0.24 0.00 0.00 174.94 176.05 2dm0 s THR 24 N -3.18 1.22 0.13 8.37 -1.32 -1.26 -4.93 115.64 114.68 2dm0 s THR 24 Ca 0.23 -2.07 -0.20 0.00 -1.21 0.00 0.00 61.69 58.44 2dm0 s THR 24 Cb 0.03 -2.19 0.01 0.00 -1.51 0.00 0.00 72.50 68.84 2dm0 s THR 24 CO 0.13 -0.46 1.11 -1.14 -2.21 0.00 0.00 174.62 172.05 2dm0 n ARG 25 N -0.38 -0.28 -0.19 7.08 3.00 -1.26 0.99 116.66 125.63 2dm0 n ARG 25 Ca -0.07 1.10 -0.03 0.00 -0.00 0.00 0.00 57.85 58.85 2dm0 n ARG 25 Cb 0.63 -1.62 0.04 0.00 0.00 0.00 0.00 32.46 31.51 2dm0 n ARG 25 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 2dm0 h ASN 26 N 0.00 -0.70 0.26 6.15 -0.73 -2.00 -2.15 115.58 116.41 2dm0 h ASN 26 Ca 0.15 0.19 0.00 0.00 1.87 0.00 0.00 56.30 58.51 2dm0 h ASN 26 Cb 0.33 0.41 -0.03 0.00 0.27 0.00 0.00 38.32 39.30 2dm0 h ASN 26 CO -0.69 -0.23 -0.49 1.56 -0.37 0.00 0.00 177.43 177.21 2dm0 h GLN 27 N -0.06 -0.78 -0.55 6.67 1.08 0.24 0.25 115.11 121.96 2dm0 h GLN 27 Ca 0.27 0.05 0.05 0.00 -1.45 0.00 0.00 58.65 57.57 2dm0 h GLN 27 Cb 0.47 0.18 -0.07 0.00 -0.05 0.00 0.00 27.48 28.01 2dm0 h GLN 27 CO -0.61 -0.52 -0.33 0.00 -0.95 0.00 0.00 178.83 176.42 2dm0 n ALA 28 N -2.85 -0.35 0.07 3.87 0.00 -0.67 0.02 120.51 120.59 2dm0 n ALA 28 Ca -0.09 0.47 -0.11 0.00 0.00 0.00 0.00 53.44 53.70 2dm0 n ALA 28 Cb 0.40 0.13 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 2dm0 n ALA 28 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dm0 h GLU 29 N 0.00 -0.27 -0.09 0.00 5.08 -1.31 -3.07 114.58 114.92 2dm0 h GLU 29 Ca 0.09 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2dm0 h GLU 29 Cb 0.23 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2dm0 h GLU 29 CO -0.52 -0.18 -0.18 1.25 -1.00 0.00 0.00 179.01 178.38 2dm0 h HIS 30 N -0.28 -0.55 -0.72 4.33 2.76 0.11 -0.29 115.15 120.51 2dm0 h HIS 30 Ca 0.04 0.02 0.26 0.00 -2.20 0.00 0.00 60.37 58.49 2dm0 h HIS 30 Cb 0.32 0.25 -0.13 0.00 1.55 0.00 0.00 27.41 29.40 2dm0 h HIS 30 CO -0.19 -0.17 0.23 1.28 -1.30 0.00 0.00 177.93 177.78 2dm0 n LEU 31 N -3.54 0.11 0.18 0.26 4.77 0.10 0.83 117.00 119.71 2dm0 n LEU 31 Ca -0.02 1.21 -0.13 0.00 -0.03 0.00 0.00 56.01 57.05 2dm0 n LEU 31 Cb 0.12 -0.53 -0.08 0.00 -2.33 0.00 0.00 43.42 40.60 2dm0 n LEU 31 CO 0.02 -1.30 0.49 -0.07 -1.33 0.00 0.00 177.39 175.19 2dm0 h LEU 32 N 0.00 -0.42 -0.94 2.23 3.38 -1.01 -3.21 115.31 115.34 2dm0 h LEU 32 Ca 0.54 -0.14 0.22 0.00 0.09 0.00 0.00 57.88 58.59 2dm0 h LEU 32 Cb 1.32 0.11 -0.18 0.00 0.09 0.00 0.00 40.66 42.01 2dm0 h LEU 32 CO -0.61 -0.04 -0.11 0.03 0.09 0.00 0.00 178.44 177.80 2dm0 h ARG 33 N -0.86 0.02 -0.94 1.13 2.47 0.16 0.64 114.38 117.00 2dm0 h ARG 33 Ca -0.05 -0.00 0.28 0.00 -1.26 0.00 0.00 59.98 58.95 2dm0 h ARG 33 Cb 0.54 -0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 28.70 2dm0 h ARG 33 CO 0.08 0.01 0.36 1.96 0.56 0.00 0.00 179.97 182.95 2dm0 h GLN 34 N 0.02 0.21 0.11 0.04 4.20 -1.38 0.55 115.11 118.86 2dm0 h GLN 34 Ca 0.50 -0.01 -0.20 0.00 0.06 0.00 0.00 58.65 59.00 2dm0 h GLN 34 Cb 0.90 -0.05 0.02 0.00 0.30 0.00 0.00 27.48 28.65 2dm0 h GLN 34 CO -0.92 0.14 -0.86 0.93 -0.67 0.00 0.00 178.83 177.45 2dm0 h GLU 35 N 0.22 0.38 -6.33 1.46 4.39 0.14 -3.48 114.58 111.36 2dm0 h GLU 35 Ca 0.64 -0.57 -0.47 0.00 0.34 0.00 0.00 59.36 59.31 2dm0 h GLU 35 Cb 1.41 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 30.25 2dm0 h GLU 35 CO -0.67 1.24 -0.87 0.45 -1.16 0.00 0.00 179.01 178.00 2dm0 n SER 36 N -4.08 -0.87 -3.81 1.42 2.88 0.18 -4.98 113.62 104.36 2dm0 n SER 36 Ca -0.13 -0.94 -0.12 0.00 -1.33 0.00 0.00 58.87 56.34 2dm0 n SER 36 Cb 0.83 -3.43 -0.12 0.00 -0.75 0.00 0.00 64.21 60.73 2dm0 n SER 36 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2dm0 s LYS 37 N -6.31 0.22 0.06 -1.46 -2.85 -1.26 -5.09 119.74 103.05 2dm0 s LYS 37 Ca 0.03 0.22 -0.33 0.00 -1.00 0.00 0.00 55.97 54.89 2dm0 s LYS 37 Cb -0.01 0.11 -0.12 0.00 -2.06 0.00 0.00 37.83 35.75 2dm0 s LYS 37 CO 0.86 -0.03 1.75 -1.91 0.10 0.00 0.00 175.35 176.12 2dm0 n GLU 38 N 2.91 2.30 0.00 1.78 2.13 -1.26 -2.53 120.64 125.98 2dm0 n GLU 38 Ca -0.13 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.53 2dm0 n GLU 38 Cb 0.59 -2.67 0.00 0.00 0.27 0.00 0.00 31.44 29.63 2dm0 n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dm0 n GLY 39 N 3.98 3.33 2.65 8.31 0.00 -1.19 -4.58 105.19 117.68 2dm0 n GLY 39 Ca 0.19 -1.06 -0.49 0.00 0.00 0.00 0.00 46.02 44.66 2dm0 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm0 n ALA 40 N 0.00 0.18 -2.22 4.61 0.00 -1.05 -3.75 120.51 118.27 2dm0 n ALA 40 Ca 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 53.44 53.46 2dm0 n ALA 40 Cb 0.00 -1.70 -0.10 0.00 0.00 0.00 0.00 19.45 17.65 2dm0 n ALA 40 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2dm0 s PHE 41 N 4.91 1.13 0.19 0.00 -0.71 -1.18 0.74 117.98 123.06 2dm0 s PHE 41 Ca 0.98 -0.83 -0.16 0.00 -1.04 0.00 0.00 56.93 55.87 2dm0 s PHE 41 Cb -1.22 -0.60 0.02 0.00 -1.21 0.00 0.00 43.02 40.01 2dm0 s PHE 41 CO 0.54 -0.02 0.48 0.96 -1.34 0.00 0.00 175.22 175.84 2dm0 s ILE 42 N -3.46 0.03 -0.31 -4.49 -4.36 -0.96 -3.03 121.20 104.63 2dm0 s ILE 42 Ca 0.15 -0.86 0.02 0.00 -0.26 0.00 0.00 60.65 59.70 2dm0 s ILE 42 Cb 0.04 -1.61 0.09 0.00 1.25 0.00 0.00 42.46 42.23 2dm0 s ILE 42 CO -0.01 -0.15 0.02 -0.69 0.24 0.00 0.00 174.94 174.35 2dm0 s VAL 43 N -3.89 1.84 0.35 8.37 1.01 0.56 -1.74 120.40 126.91 2dm0 s VAL 43 Ca 0.10 -1.87 0.06 0.00 0.00 0.00 0.00 61.98 60.27 2dm0 s VAL 43 Cb -0.00 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 2dm0 s VAL 43 CO -0.03 -0.47 0.50 0.00 0.00 0.00 0.00 175.10 175.11 2dm0 s ARG 44 N 1.16 3.09 -0.09 2.72 1.70 -0.53 -2.51 118.95 124.49 2dm0 s ARG 44 Ca 0.06 -0.96 -0.11 0.00 -0.47 0.00 0.00 55.73 54.25 2dm0 s ARG 44 Cb -0.19 -2.79 -0.05 0.00 -0.57 0.00 0.00 34.95 31.36 2dm0 s ARG 44 CO -0.11 0.00 0.25 0.16 -1.08 0.00 0.00 175.30 174.52 2dm0 s ASP 45 N -4.19 6.53 -1.22 -2.89 -4.77 -1.26 -2.05 116.67 106.83 2dm0 s ASP 45 Ca 0.46 0.64 -0.10 0.00 -3.30 0.00 0.00 52.55 50.25 2dm0 s ASP 45 Cb -0.10 -2.15 0.20 0.00 -1.09 0.00 0.00 42.92 39.79 2dm0 s ASP 45 CO 0.32 0.33 1.62 -1.20 0.70 0.00 0.00 175.17 176.94 2dm0 n SER 46 N 2.18 5.37 -0.35 2.11 7.64 -0.80 -4.84 113.62 124.93 2dm0 n SER 46 Ca -0.17 -3.11 0.30 0.00 1.01 0.00 0.00 58.87 56.90 2dm0 n SER 46 Cb 0.54 -1.47 0.50 0.00 -1.01 0.00 0.00 64.21 62.77 2dm0 n SER 46 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2dm0 n ARG 47 N 3.91 -0.03 -0.05 1.43 0.63 -1.26 0.90 116.66 122.19 2dm0 n ARG 47 Ca 0.35 0.92 -0.09 0.00 -0.92 0.00 0.00 57.85 58.11 2dm0 n ARG 47 Cb 0.38 -1.82 -0.03 0.00 0.45 0.00 0.00 32.46 31.44 2dm0 n ARG 47 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2dm0 h HIS 48 N 0.00 -0.87 -3.86 -0.14 2.76 -1.95 -3.45 115.15 107.65 2dm0 h HIS 48 Ca 0.65 0.05 -0.39 0.00 -2.20 0.00 0.00 60.37 58.47 2dm0 h HIS 48 Cb 2.09 0.42 -0.14 0.00 1.55 0.00 0.00 27.41 31.33 2dm0 h HIS 48 CO -0.00 -0.38 -0.58 -1.17 -1.30 0.00 0.00 177.93 174.50 2dm0 s LEU 49 N -10.49 1.66 0.00 0.26 2.96 0.26 -5.02 118.68 108.30 2dm0 s LEU 49 Ca -0.15 -1.50 -0.02 0.00 -0.22 0.00 0.00 54.13 52.24 2dm0 s LEU 49 Cb 0.12 0.13 -0.10 0.00 0.50 0.00 0.00 46.19 46.84 2dm0 s LEU 49 CO 0.67 -0.84 2.15 0.61 -1.32 0.00 0.00 176.35 177.62 2dm0 n GLY 50 N -0.55 2.21 2.59 7.98 0.00 -1.26 -4.37 105.19 111.79 2dm0 n GLY 50 Ca 0.00 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 2dm0 n GLY 50 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dm0 n SER 51 N 2.17 2.47 -4.38 1.61 7.64 -1.26 -5.05 113.62 116.82 2dm0 n SER 51 Ca 0.17 -2.61 -0.19 0.00 1.01 0.00 0.00 58.87 57.24 2dm0 n SER 51 Cb 0.52 0.41 -0.10 0.00 -1.01 0.00 0.00 64.21 64.03 2dm0 n SER 51 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2dm0 s TYR 52 N -2.44 1.76 -0.09 1.43 1.51 -1.25 -1.90 117.35 116.36 2dm0 s TYR 52 Ca 0.05 -1.08 -0.06 0.00 -1.01 0.00 0.00 57.07 54.97 2dm0 s TYR 52 Cb 0.00 -1.09 0.04 0.00 -0.11 0.00 0.00 41.96 40.79 2dm0 s TYR 52 CO 0.03 -0.17 0.23 0.99 -1.11 0.00 0.00 175.55 175.53 2dm0 s THR 53 N -3.52 -0.02 -0.19 -0.71 2.01 -0.87 0.06 115.64 112.39 2dm0 s THR 53 Ca 0.37 0.08 -0.10 0.00 0.31 0.00 0.00 61.69 62.36 2dm0 s THR 53 Cb 0.08 -0.35 -0.05 0.00 0.01 0.00 0.00 72.50 72.20 2dm0 s THR 53 CO 0.15 0.03 0.12 -0.63 -0.69 0.00 0.00 174.62 173.61 2dm0 s ILE 54 N 0.75 5.36 -0.40 1.82 1.01 0.63 -1.46 121.20 128.92 2dm0 s ILE 54 Ca -0.05 0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.74 2dm0 s ILE 54 Cb -0.07 -3.44 0.10 0.00 0.01 0.00 0.00 42.46 39.07 2dm0 s ILE 54 CO -0.05 0.45 0.18 -0.44 0.00 0.00 0.00 174.94 175.09 2dm0 s SER 55 N 0.28 5.21 0.06 3.58 0.01 -0.71 -0.63 113.70 121.51 2dm0 s SER 55 Ca 0.08 -1.96 0.00 0.00 1.31 0.00 0.00 55.95 55.38 2dm0 s SER 55 Cb -0.11 -1.81 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 2dm0 s SER 55 CO -0.01 -0.51 0.21 -0.69 0.41 0.00 0.00 173.24 172.64 2dm0 s VAL 56 N 1.15 5.36 -0.53 3.43 1.01 -1.13 -2.26 120.40 127.43 2dm0 s VAL 56 Ca 0.07 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 2dm0 s VAL 56 Cb -0.22 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 32.62 2dm0 s VAL 56 CO -0.04 0.13 0.56 0.12 0.00 0.00 0.00 175.10 175.87 2dm0 s PHE 57 N -1.52 3.13 -0.02 5.22 5.36 0.23 -1.52 117.98 128.87 2dm0 s PHE 57 Ca 0.35 -0.92 -0.26 0.00 -0.96 0.00 0.00 56.93 55.14 2dm0 s PHE 57 Cb -0.13 -3.63 -0.20 0.00 -0.34 0.00 0.00 43.02 38.72 2dm0 s PHE 57 CO 0.28 -1.04 1.28 0.52 -1.46 0.00 0.00 175.22 174.79 2dm0 h MET 58 N 8.96 -0.03 -0.36 10.12 2.86 -0.12 -3.14 114.93 133.22 2dm0 h MET 58 Ca -0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 2dm0 h MET 58 Cb 1.10 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.76 2dm0 h MET 58 CO 1.00 0.43 0.00 0.41 1.06 0.00 0.00 176.91 179.81 2dm0 n GLY 59 N 0.15 0.13 3.31 8.32 0.00 -0.56 -4.66 105.19 111.88 2dm0 n GLY 59 Ca -0.08 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 2dm0 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm0 n ALA 60 N 2.45 -4.45 0.12 4.61 0.00 -1.26 -4.64 120.51 117.35 2dm0 n ALA 60 Ca 0.00 -1.70 -0.13 0.00 0.00 0.00 0.00 53.44 51.61 2dm0 n ALA 60 Cb 0.00 -1.75 -0.08 0.00 0.00 0.00 0.00 19.45 17.62 2dm0 n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dm0 h ARG 61 N -3.32 -0.25 -5.86 0.00 2.47 -1.92 -3.43 114.38 102.06 2dm0 h ARG 61 Ca -0.49 0.02 -0.66 0.00 -1.26 0.00 0.00 59.98 57.58 2dm0 h ARG 61 Cb 1.34 0.06 -0.10 0.00 -1.65 0.00 0.00 29.97 29.62 2dm0 h ARG 61 CO 0.34 -0.03 -0.55 0.50 0.56 0.00 0.00 179.97 180.80 2dm0 s ARG 62 N -5.41 3.20 0.27 0.04 6.06 -1.26 -5.00 118.95 116.85 2dm0 s ARG 62 Ca -0.15 -0.34 -0.00 0.00 -2.50 0.00 0.00 55.73 52.75 2dm0 s ARG 62 Cb 0.04 -2.97 0.59 0.00 0.06 0.00 0.00 34.95 32.67 2dm0 s ARG 62 CO 0.62 0.71 1.71 0.66 -2.50 0.00 0.00 175.30 176.50 2dm0 h SER 63 N 4.63 0.28 -0.36 -2.12 4.64 -2.00 0.34 113.55 118.96 2dm0 h SER 63 Ca -0.51 0.14 0.10 0.00 -0.47 0.00 0.00 61.79 61.05 2dm0 h SER 63 Cb 1.20 0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 2dm0 h SER 63 CO 0.59 0.04 0.71 0.74 -0.87 0.00 0.00 176.83 178.04 2dm0 h THR 64 N 0.41 0.10 -1.33 2.95 2.02 -1.97 -3.40 112.91 111.70 2dm0 h THR 64 Ca 0.49 0.00 -0.62 0.00 0.77 0.00 0.00 66.41 67.05 2dm0 h THR 64 Cb 0.85 0.37 -0.11 0.00 -1.74 0.00 0.00 68.15 67.51 2dm0 h THR 64 CO -0.48 0.00 -0.53 -1.61 0.37 0.00 0.00 175.52 173.27 2dm0 s GLU 65 N -4.30 2.10 0.20 6.66 0.41 0.12 -5.16 118.70 118.73 2dm0 s GLU 65 Ca -0.03 -2.08 -0.03 0.00 -0.41 0.00 0.00 54.97 52.42 2dm0 s GLU 65 Cb 0.10 -1.75 -0.03 0.00 -1.78 0.00 0.00 34.13 30.66 2dm0 s GLU 65 CO 0.34 -0.16 0.19 0.00 -0.49 0.00 0.00 175.26 175.13 2dm0 s ALA 66 N -2.71 0.85 -0.14 5.21 0.00 -1.26 -4.20 121.76 119.50 2dm0 s ALA 66 Ca 0.31 -1.50 -0.06 0.00 0.00 0.00 0.00 51.96 50.72 2dm0 s ALA 66 Cb 0.06 1.25 0.06 0.00 0.00 0.00 0.00 23.12 24.49 2dm0 s ALA 66 CO 0.17 -0.62 0.30 0.00 0.00 0.00 0.00 175.76 175.60 2dm0 s ALA 67 N -4.11 -0.70 -0.02 0.00 0.00 -1.26 -4.09 121.76 111.57 2dm0 s ALA 67 Ca 0.34 1.10 0.03 0.00 0.00 0.00 0.00 51.96 53.43 2dm0 s ALA 67 Cb 0.06 -0.98 -0.00 0.00 0.00 0.00 0.00 23.12 22.19 2dm0 s ALA 67 CO 0.10 -0.53 -0.12 0.42 0.00 0.00 0.00 175.76 175.62 2dm0 s ILE 68 N 2.12 1.02 0.29 0.00 1.01 -1.26 0.65 121.20 125.02 2dm0 s ILE 68 Ca -0.02 -0.51 0.09 0.00 0.00 0.00 0.00 60.65 60.20 2dm0 s ILE 68 Cb -0.11 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 2dm0 s ILE 68 CO -0.10 0.30 0.07 -0.54 0.00 0.00 0.00 174.94 174.67 2dm0 s LYS 69 N -0.04 2.38 -0.21 2.79 3.01 -0.57 -4.93 119.74 122.17 2dm0 s LYS 69 Ca 0.00 -1.43 -0.01 0.00 -1.01 0.00 0.00 55.97 53.52 2dm0 s LYS 69 Cb -0.08 -2.20 0.06 0.00 -1.01 0.00 0.00 37.83 34.60 2dm0 s LYS 69 CO 0.00 0.28 -0.02 -1.01 0.51 0.00 0.00 175.35 175.12 2dm0 s HIS 70 N -2.34 1.70 -0.41 3.18 3.76 -1.26 -2.85 115.29 117.07 2dm0 s HIS 70 Ca 0.34 -1.26 -0.09 0.00 -0.15 0.00 0.00 55.06 53.90 2dm0 s HIS 70 Cb -0.05 -1.30 0.07 0.00 1.11 0.00 0.00 32.58 32.41 2dm0 s HIS 70 CO 0.21 -0.68 0.24 0.71 -0.85 0.00 0.00 174.74 174.38 2dm0 s TYR 71 N 1.63 3.34 -0.07 1.40 2.02 0.20 -4.93 117.35 120.94 2dm0 s TYR 71 Ca -0.03 -1.54 -0.30 0.00 -0.37 0.00 0.00 57.07 54.84 2dm0 s TYR 71 Cb -0.18 -2.89 -0.03 0.00 -0.40 0.00 0.00 41.96 38.47 2dm0 s TYR 71 CO -0.07 -0.84 1.13 -1.14 -1.57 0.00 0.00 175.55 173.06 2dm0 s GLN 72 N 1.42 4.38 -0.39 -0.62 0.74 -1.26 -0.26 119.66 123.66 2dm0 s GLN 72 Ca 0.03 1.57 -0.26 0.00 0.05 0.00 0.00 55.36 56.74 2dm0 s GLN 72 Cb -0.23 -3.54 0.02 0.00 1.10 0.00 0.00 33.01 30.36 2dm0 s GLN 72 CO 0.02 -0.39 0.96 0.42 -0.55 0.00 0.00 175.29 175.76 2dm0 s ILE 73 N 2.09 4.52 0.56 -2.34 1.01 0.11 -4.77 121.20 122.37 2dm0 s ILE 73 Ca 0.53 1.18 0.09 0.00 0.00 0.00 0.00 60.65 62.46 2dm0 s ILE 73 Cb -0.22 -4.39 0.08 0.00 0.01 0.00 0.00 42.46 37.94 2dm0 s ILE 73 CO 0.21 -0.63 0.77 -0.54 0.00 0.00 0.00 174.94 174.75 2dm0 s LYS 74 N 3.65 2.35 -0.01 2.79 3.01 -0.71 -3.87 119.74 126.93 2dm0 s LYS 74 Ca 0.40 -1.59 0.04 0.00 -1.01 0.00 0.00 55.97 53.81 2dm0 s LYS 74 Cb -0.11 -2.65 -0.01 0.00 -1.01 0.00 0.00 37.83 34.05 2dm0 s LYS 74 CO 0.21 -0.81 -0.14 0.21 0.51 0.00 0.00 175.35 175.32 2dm0 s LYS 75 N -4.65 1.16 0.49 1.68 2.20 -1.26 -1.57 119.74 117.79 2dm0 s LYS 75 Ca 0.61 -0.51 0.02 0.00 -0.36 0.00 0.00 55.97 55.73 2dm0 s LYS 75 Cb -0.06 -1.12 0.09 0.00 -1.51 0.00 0.00 37.83 35.23 2dm0 s LYS 75 CO 0.39 0.30 0.67 0.27 -0.36 0.00 0.00 175.35 176.61 2dm0 n ASN 76 N 2.75 1.10 0.00 1.43 0.23 -1.00 -4.89 115.26 114.89 2dm0 n ASN 76 Ca -0.14 -1.88 0.14 0.00 -0.53 0.00 0.00 54.58 52.16 2dm0 n ASN 76 Cb 0.55 -0.42 0.58 0.00 -2.08 0.00 0.00 39.78 38.42 2dm0 n ASN 76 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2dm0 h ASP 77 N -0.29 0.19 -0.01 0.53 3.32 -2.01 0.17 116.42 118.32 2dm0 h ASP 77 Ca -0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2dm0 h ASP 77 Cb 0.87 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2dm0 h ASP 77 CO 0.26 0.12 0.00 -1.20 -1.72 0.00 0.00 179.24 176.69 2dm0 n SER 78 N -4.45 0.77 -4.01 6.45 7.64 -1.26 -4.84 113.62 113.91 2dm0 n SER 78 Ca 0.07 -2.01 -0.33 0.00 1.01 0.00 0.00 58.87 57.61 2dm0 n SER 78 Cb 0.39 -0.35 -0.01 0.00 -1.01 0.00 0.00 64.21 63.24 2dm0 n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm0 n GLY 79 N 0.17 -0.47 3.56 0.23 0.00 0.61 -4.95 105.19 104.36 2dm0 n GLY 79 Ca 0.01 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2dm0 n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dm0 s GLN 80 N -6.71 2.69 0.24 1.61 -0.21 -1.26 -4.88 119.66 111.14 2dm0 s GLN 80 Ca 0.68 -0.59 -0.30 0.00 0.02 0.00 0.00 55.36 55.17 2dm0 s GLN 80 Cb -0.36 -2.55 -0.09 0.00 1.00 0.00 0.00 33.01 31.01 2dm0 s GLN 80 CO 0.84 0.65 0.94 -1.58 -2.12 0.00 0.00 175.29 174.02 2dm0 s TRP 81 N -0.81 3.97 0.04 0.91 0.52 -1.19 -2.36 118.94 120.01 2dm0 s TRP 81 Ca 0.13 1.91 -0.19 0.00 0.02 0.00 0.00 56.10 57.97 2dm0 s TRP 81 Cb -0.11 -2.99 0.04 0.00 -1.15 0.00 0.00 33.47 29.26 2dm0 s TRP 81 CO 0.02 0.43 0.43 1.52 0.02 0.00 0.00 176.95 179.37 2dm0 s TYR 82 N -1.19 -0.30 -0.02 -1.98 -0.85 -0.61 -0.82 117.35 111.59 2dm0 s TYR 82 Ca 0.41 0.29 -0.06 0.00 -0.52 0.00 0.00 57.07 57.19 2dm0 s TYR 82 Cb -0.26 0.24 -0.03 0.00 0.38 0.00 0.00 41.96 42.29 2dm0 s TYR 82 CO 0.32 -0.57 -0.13 0.28 -1.52 0.00 0.00 175.55 173.93 2dm0 n VAL 83 N 0.54 1.21 0.89 -3.49 0.31 -1.26 -1.75 118.33 114.78 2dm0 n VAL 83 Ca -0.19 0.23 0.09 0.00 -0.01 0.00 0.00 64.34 64.47 2dm0 n VAL 83 Cb 0.60 -1.83 0.47 0.00 -0.91 0.00 0.00 33.84 32.16 2dm0 n VAL 83 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dm0 n ALA 84 N -3.79 2.00 -1.80 3.52 0.00 -1.26 -4.84 120.51 114.34 2dm0 n ALA 84 Ca -0.08 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 2dm0 n ALA 84 Cb 0.27 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 2dm0 n ALA 84 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dm0 n GLU 85 N -1.26 -0.92 0.00 0.00 1.02 -1.26 -4.81 120.64 113.41 2dm0 n GLU 85 Ca 0.09 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 2dm0 n GLU 85 Cb 0.14 -4.86 0.00 0.00 -0.02 0.00 0.00 31.44 26.69 2dm0 n GLU 85 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2dm0 n ARG 86 N -2.41 0.94 -3.81 3.49 5.12 -1.26 -5.01 116.66 113.72 2dm0 n ARG 86 Ca -0.13 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.42 2dm0 n ARG 86 Cb 0.51 -0.67 -0.12 0.00 -1.16 0.00 0.00 32.46 31.02 2dm0 n ARG 86 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2dm0 s HIS 87 N -1.34 3.44 -0.09 -1.55 3.76 -1.26 -5.09 115.29 113.15 2dm0 s HIS 87 Ca 0.00 -2.08 -0.12 0.00 -0.15 0.00 0.00 55.06 52.71 2dm0 s HIS 87 Cb 0.00 -2.74 -0.05 0.00 1.11 0.00 0.00 32.58 30.90 2dm0 s HIS 87 CO 0.00 -0.88 0.28 0.00 -0.85 0.00 0.00 174.74 173.29 2dm0 s ALA 88 N 1.22 3.72 0.28 -1.40 0.00 -1.26 -4.39 121.76 119.93 2dm0 s ALA 88 Ca 0.03 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.57 2dm0 s ALA 88 Cb -0.21 -2.26 0.02 0.00 0.00 0.00 0.00 23.12 20.67 2dm0 s ALA 88 CO -0.02 0.39 0.16 1.19 0.00 0.00 0.00 175.76 177.48 2dm0 n PHE 89 N 2.49 -0.68 -0.05 0.00 3.01 0.00 -4.93 117.46 117.30 2dm0 n PHE 89 Ca -0.15 -1.22 -0.00 0.00 1.01 0.00 0.00 57.45 57.09 2dm0 n PHE 89 Cb 0.53 -0.22 -0.13 0.00 -0.01 0.00 0.00 39.48 39.65 2dm0 n PHE 89 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2dm0 n GLN 90 N -1.05 0.96 -4.01 -1.08 6.02 -1.26 -3.20 117.38 113.76 2dm0 n GLN 90 Ca -0.03 -0.08 -0.09 0.00 -0.01 0.00 0.00 57.00 56.79 2dm0 n GLN 90 Cb 0.32 -1.42 -0.11 0.00 1.02 0.00 0.00 30.24 30.05 2dm0 n GLN 90 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2dm0 s SER 91 N -4.59 0.35 0.11 1.08 0.01 -1.26 -4.84 113.70 104.55 2dm0 s SER 91 Ca -0.07 -0.58 -0.21 0.00 1.31 0.00 0.00 55.95 56.39 2dm0 s SER 91 Cb 0.08 0.11 -0.09 0.00 0.21 0.00 0.00 66.02 66.32 2dm0 s SER 91 CO 0.71 -0.34 1.75 0.40 0.41 0.00 0.00 173.24 176.17 2dm0 h ILE 92 N 4.39 0.98 0.00 1.44 1.08 -1.96 -1.37 117.51 122.08 2dm0 h ILE 92 Ca -0.33 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.11 2dm0 h ILE 92 Cb 1.20 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 35.82 2dm0 h ILE 92 CO 0.45 0.02 0.00 -0.81 -0.69 0.00 0.00 178.15 177.12 2dm0 n PRO 93 N -5.06 0.49 -0.13 2.37 -0.04 -1.26 -2.66 135.00 128.71 2dm0 n PRO 93 Ca -0.05 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.23 2dm0 n PRO 93 Cb 0.05 -1.44 -0.12 0.00 -0.04 0.00 0.00 33.50 31.94 2dm0 n PRO 93 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dm0 n GLU 94 N -0.94 0.65 -0.29 0.54 4.71 -0.55 -3.63 120.64 121.12 2dm0 n GLU 94 Ca 0.10 0.15 0.07 0.00 -0.01 0.00 0.00 57.16 57.47 2dm0 n GLU 94 Cb 0.05 -1.52 0.29 0.00 -1.01 0.00 0.00 31.44 29.24 2dm0 n GLU 94 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2dm0 h LEU 95 N 0.00 0.82 0.00 -4.62 6.46 -1.22 -1.23 115.31 115.52 2dm0 h LEU 95 Ca -0.58 0.02 -0.19 0.00 -0.12 0.00 0.00 57.88 57.01 2dm0 h LEU 95 Cb 1.91 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 41.66 2dm0 h LEU 95 CO -0.09 0.48 -0.99 0.40 -0.62 0.00 0.00 178.44 177.63 2dm0 h ILE 96 N 0.90 1.36 -0.89 4.05 1.08 -1.77 -3.17 117.51 119.07 2dm0 h ILE 96 Ca 0.42 -3.00 0.24 0.00 -0.39 0.00 0.00 64.86 62.13 2dm0 h ILE 96 Cb 0.39 2.66 -0.15 0.00 -3.07 0.00 0.00 36.82 36.65 2dm0 h ILE 96 CO -0.18 0.78 0.17 -0.25 -0.69 0.00 0.00 178.15 177.97 2dm0 h TRP 97 N 0.00 0.22 0.13 1.37 -0.00 -1.28 -0.87 115.95 115.51 2dm0 h TRP 97 Ca -0.05 0.06 -0.28 0.00 -0.00 0.00 0.00 58.89 58.62 2dm0 h TRP 97 Cb 1.70 0.05 0.00 0.00 -0.00 0.00 0.00 29.16 30.91 2dm0 h TRP 97 CO 0.00 -0.28 -1.42 1.88 -0.00 0.00 0.00 178.44 178.62 2dm0 h TYR 98 N 0.13 0.50 -1.00 2.65 0.05 -1.67 -3.35 116.97 114.28 2dm0 h TYR 98 Ca 0.56 -0.36 0.36 0.00 0.05 0.00 0.00 58.73 59.33 2dm0 h TYR 98 Cb 1.14 -0.02 -0.16 0.00 1.01 0.00 0.00 36.73 38.70 2dm0 h TYR 98 CO -0.33 1.55 0.56 1.25 -1.05 0.00 0.00 178.16 180.14 2dm0 h HIS 99 N -0.24 0.89 -0.70 4.88 2.76 -1.20 0.72 115.15 122.26 2dm0 h HIS 99 Ca -0.30 0.04 0.08 0.00 -2.20 0.00 0.00 60.37 57.99 2dm0 h HIS 99 Cb 1.81 -0.23 -0.06 0.00 1.55 0.00 0.00 27.41 30.48 2dm0 h HIS 99 CO 0.13 -0.28 0.36 1.96 -1.30 0.00 0.00 177.93 178.80 2dm0 h GLN 100 N 0.21 0.62 0.11 5.26 1.08 -1.34 -2.80 115.11 118.24 2dm0 h GLN 100 Ca 0.78 -0.04 -0.17 0.00 -1.45 0.00 0.00 58.65 57.77 2dm0 h GLN 100 Cb 1.88 -0.14 0.02 0.00 -0.05 0.00 0.00 27.48 29.19 2dm0 h GLN 100 CO -0.66 0.41 -0.73 0.45 -0.95 0.00 0.00 178.83 177.35 2dm0 h HIS 101 N 0.64 0.53 -3.25 2.96 3.86 0.11 -3.42 115.15 116.57 2dm0 h HIS 101 Ca 0.33 -0.36 -0.43 0.00 -1.16 0.00 0.00 60.37 58.74 2dm0 h HIS 101 Cb 0.30 -0.03 -0.39 0.00 1.06 0.00 0.00 27.41 28.35 2dm0 h HIS 101 CO -0.09 1.26 -0.76 0.54 0.86 0.00 0.00 177.93 179.74 2dm0 s ASN 102 N -6.89 1.73 -0.70 2.45 2.20 0.49 -5.06 114.94 109.16 2dm0 s ASN 102 Ca -0.14 -0.19 -0.26 0.00 -0.94 0.00 0.00 52.86 51.33 2dm0 s ASN 102 Cb 0.01 -0.38 -0.11 0.00 -2.00 0.00 0.00 41.25 38.77 2dm0 s ASN 102 CO 0.82 -0.23 2.40 0.00 -2.94 0.00 0.00 177.10 177.14 2dm0 s ALA 103 N 2.02 1.01 -1.04 3.54 0.00 -1.14 -3.64 121.76 122.50 2dm0 s ALA 103 Ca 0.04 -0.55 -0.20 0.00 0.00 0.00 0.00 51.96 51.24 2dm0 s ALA 103 Cb -0.13 -4.50 0.09 0.00 0.00 0.00 0.00 23.12 18.57 2dm0 s ALA 103 CO -0.05 -5.43 1.38 0.00 0.00 0.00 0.00 175.76 171.65 2dm0 s ALA 104 N 13.88 3.10 0.00 0.00 0.00 -1.26 -4.85 121.76 132.63 2dm0 s ALA 104 Ca 0.93 -2.59 0.00 0.00 0.00 0.00 0.00 51.96 50.30 2dm0 s ALA 104 Cb -0.14 -4.36 0.00 0.00 0.00 0.00 0.00 23.12 18.62 2dm0 s ALA 104 CO 0.14 -3.31 0.00 0.41 0.00 0.00 0.00 175.76 173.00 2dm0 n GLY 105 N 6.03 2.50 3.48 0.00 0.00 -1.26 -4.61 105.19 111.33 2dm0 n GLY 105 Ca 0.32 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 2dm0 n GLY 105 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dm0 n LEU 106 N 0.00 4.10 -3.60 0.99 0.00 -1.26 -4.80 117.00 112.42 2dm0 n LEU 106 Ca 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 56.01 52.49 2dm0 n LEU 106 Cb 0.00 -1.68 -0.02 0.00 0.00 0.00 0.00 43.42 41.72 2dm0 n LEU 106 CO 0.00 -0.78 1.01 0.00 0.00 0.00 0.00 177.39 177.62 2dm0 s MET 107 N 5.30 0.34 1.22 1.96 0.23 -1.26 -5.10 119.30 121.99 2dm0 s MET 107 Ca 0.61 -0.14 -0.15 0.00 -1.03 0.00 0.00 55.69 54.97 2dm0 s MET 107 Cb 0.03 0.15 0.30 0.00 -1.53 0.00 0.00 34.83 33.78 2dm0 s MET 107 CO 0.10 -0.15 1.01 -0.08 -2.03 0.00 0.00 175.02 173.87 2dm0 s THR 108 N -2.44 1.85 -0.29 3.16 -1.32 -1.26 -4.87 115.64 110.46 2dm0 s THR 108 Ca 0.10 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.42 2dm0 s THR 108 Cb 0.00 -2.11 -0.02 0.00 -1.51 0.00 0.00 72.50 68.86 2dm0 s THR 108 CO -0.04 0.00 0.46 -0.60 -2.21 0.00 0.00 174.62 172.23 2dm0 s ARG 109 N -4.63 3.92 -0.30 7.08 3.52 -1.26 -4.77 118.95 122.51 2dm0 s ARG 109 Ca 0.68 0.08 -0.41 0.00 -0.13 0.00 0.00 55.73 55.94 2dm0 s ARG 109 Cb -0.22 -3.70 -0.17 0.00 -1.56 0.00 0.00 34.95 29.30 2dm0 s ARG 109 CO 0.63 -0.41 1.67 1.28 -0.81 0.00 0.00 175.30 177.66 2dm0 n LEU 110 N 5.52 2.00 0.02 -0.88 4.77 -1.26 -4.63 117.00 122.54 2dm0 n LEU 110 Ca -0.06 1.11 -0.02 0.00 -0.03 0.00 0.00 56.01 57.01 2dm0 n LEU 110 Cb 0.50 -1.08 -0.01 0.00 -2.33 0.00 0.00 43.42 40.50 2dm0 n LEU 110 CO 0.40 -0.61 -0.18 0.54 -1.33 0.00 0.00 177.39 176.22 2dm0 n ARG 111 N 4.76 0.10 -3.40 3.23 1.74 -1.25 -4.75 116.66 117.10 2dm0 n ARG 111 Ca 0.27 0.04 -0.44 0.00 -0.77 0.00 0.00 57.85 56.94 2dm0 n ARG 111 Cb 0.09 -0.68 -0.05 0.00 -1.02 0.00 0.00 32.46 30.79 2dm0 n ARG 111 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2dm0 s TYR 112 N -2.17 3.44 -1.15 -1.55 1.51 -1.26 -4.97 117.35 111.20 2dm0 s TYR 112 Ca -0.06 -1.70 -0.23 0.00 -1.01 0.00 0.00 57.07 54.07 2dm0 s TYR 112 Cb 0.01 -3.70 -0.10 0.00 -0.11 0.00 0.00 41.96 38.06 2dm0 s TYR 112 CO 0.09 -1.00 1.93 -0.35 -1.11 0.00 0.00 175.55 175.11 2dm0 n PRO 113 N 4.72 1.58 -1.27 -1.71 -0.04 -1.26 -3.09 135.00 133.93 2dm0 n PRO 113 Ca -0.04 -2.41 -0.57 0.00 -0.04 0.00 0.00 63.50 60.44 2dm0 n PRO 113 Cb 0.42 -3.66 -0.11 0.00 -0.04 0.00 0.00 33.50 30.11 2dm0 n PRO 113 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2dm0 n VAL 114 N 7.67 0.00 -4.01 0.52 0.31 -1.17 -4.55 118.33 117.10 2dm0 n VAL 114 Ca 0.45 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.52 2dm0 n VAL 114 Cb 0.46 -0.46 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 2dm0 n VAL 114 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2dm0 s GLY 115 N 4.78 1.71 0.19 2.92 0.00 -1.26 -3.56 107.32 112.09 2dm0 s GLY 115 Ca 1.07 -1.12 -0.24 0.00 0.00 0.00 0.00 44.72 44.42 2dm0 s GLY 115 CO 0.65 -1.13 1.56 1.41 0.00 0.00 0.00 173.10 175.58 2dm0 h LEU 116 N 2.27 -1.63 -0.69 0.66 4.07 -1.86 -1.02 115.31 117.11 2dm0 h LEU 116 Ca -0.48 0.29 0.06 0.00 0.08 0.00 0.00 57.88 57.83 2dm0 h LEU 116 Cb 1.20 0.77 -0.08 0.00 1.08 0.00 0.00 40.66 43.63 2dm0 h LEU 116 CO 0.66 -0.29 -0.40 0.23 -1.08 0.00 0.00 178.44 177.55 2dm0 n MET 117 N -5.39 -0.30 -0.27 1.13 2.81 -1.26 -4.83 117.12 109.01 2dm0 n MET 117 Ca 0.05 1.05 0.04 0.00 -1.81 0.00 0.00 57.70 57.03 2dm0 n MET 117 Cb 0.35 -1.55 -0.01 0.00 -0.71 0.00 0.00 33.22 31.30 2dm0 n MET 117 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dm0 n GLY 118 N -1.17 -0.69 2.67 3.03 0.00 -0.39 -4.64 105.19 104.00 2dm0 n GLY 118 Ca 0.01 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 2dm0 n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm0 s SER 119 N -4.15 3.45 0.00 1.61 0.15 -1.26 -5.08 113.70 108.41 2dm0 s SER 119 Ca 0.00 -2.75 -0.29 0.00 0.70 0.00 0.00 55.95 53.61 2dm0 s SER 119 Cb 0.00 -0.97 0.11 0.00 -1.71 0.00 0.00 66.02 63.45 2dm0 s SER 119 CO 0.00 -0.24 1.26 -0.44 1.20 0.00 0.00 173.24 175.02 2dm0 s SER 120 N 0.21 -0.04 0.00 5.45 0.01 -1.26 -5.07 113.70 113.00 2dm0 s SER 120 Ca 0.20 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.27 2dm0 s SER 120 Cb -0.19 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.23 2dm0 s SER 120 CO -0.04 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2dm0 n GLY 121 N -0.60 -1.02 0.06 3.44 0.00 -1.26 -5.08 105.19 100.73 2dm0 n GLY 121 Ca -0.05 0.26 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 2dm0 n GLY 121 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm0 h PRO 122 N 0.00 0.02 -5.71 1.61 0.13 -2.07 -3.46 132.00 122.52 2dm0 h PRO 122 Ca 0.00 -0.01 -0.62 0.00 -0.87 0.00 0.00 66.00 64.50 2dm0 h PRO 122 Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 2dm0 h PRO 122 CO 0.00 0.51 -0.59 -1.12 -0.23 0.00 0.00 178.00 176.57 2dm0 s SER 123 N -5.72 3.96 0.18 1.44 0.01 -1.26 -5.16 113.70 107.15 2dm0 s SER 123 Ca -0.16 -1.32 -0.23 0.00 1.31 0.00 0.00 55.95 55.55 2dm0 s SER 123 Cb 0.02 -0.41 0.05 0.00 0.21 0.00 0.00 66.02 65.89 2dm0 s SER 123 CO 0.68 -0.45 0.75 -0.44 0.41 0.00 0.00 173.24 174.19 2dm0 s SER 124 N -3.73 -0.35 0.00 2.44 0.01 -1.26 -5.23 113.70 105.57 2dm0 s SER 124 Ca 0.36 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2dm0 s SER 124 Cb 0.09 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.92 2dm0 s SER 124 CO 0.19 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 173.39