#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm0 s SER 2 N 0.00 -0.07 -0.21 1.61 0.15 -1.26 -5.18 113.70 108.73 2dm0 s SER 2 Ca 0.00 -0.14 -0.25 0.00 0.70 0.00 0.00 55.95 56.26 2dm0 s SER 2 Cb 0.00 0.18 0.07 0.00 -1.71 0.00 0.00 66.02 64.56 2dm0 s SER 2 CO 0.00 -0.33 0.67 -0.55 1.20 0.00 0.00 173.24 174.23 2dm0 s SER 3 N -2.90 -0.69 0.00 5.45 0.15 -1.26 -5.12 113.70 109.33 2dm0 s SER 3 Ca 0.13 1.22 0.00 0.00 0.70 0.00 0.00 55.95 58.00 2dm0 s SER 3 Cb 0.04 1.21 0.00 0.00 -1.71 0.00 0.00 66.02 65.55 2dm0 s SER 3 CO -0.04 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.70 2dm0 n GLY 4 N 2.35 0.11 3.78 9.45 0.00 -1.26 -5.16 105.19 114.47 2dm0 n GLY 4 Ca -0.15 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.01 0.03 -0.26 1.61 1.04 -1.26 -5.17 113.70 109.68 2dm0 s SER 5 Ca 0.00 -1.06 -0.12 0.00 0.48 0.00 0.00 55.95 55.25 2dm0 s SER 5 Cb 0.00 0.80 0.09 0.00 0.10 0.00 0.00 66.02 67.01 2dm0 s SER 5 CO 0.00 -1.57 0.60 -0.55 0.98 0.00 0.00 173.24 172.71 2dm0 s SER 6 N -3.05 -0.85 0.00 7.02 0.15 -1.26 -5.16 113.70 110.54 2dm0 s SER 6 Ca 0.16 1.37 0.00 0.00 0.70 0.00 0.00 55.95 58.18 2dm0 s SER 6 Cb -0.05 1.51 0.00 0.00 -1.71 0.00 0.00 66.02 65.77 2dm0 s SER 6 CO 0.11 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2dm0 n GLY 7 N 4.70 3.65 3.86 9.45 0.00 -1.26 -5.14 105.19 120.45 2dm0 n GLY 7 Ca -0.17 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 2dm0 n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dm0 s ASN 8 N 0.00 6.51 -0.02 1.61 0.01 -1.26 -5.09 114.94 116.71 2dm0 s ASN 8 Ca 0.00 1.43 0.02 0.00 -0.71 0.00 0.00 52.86 53.60 2dm0 s ASN 8 Cb 0.00 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 39.21 2dm0 s ASN 8 CO 0.00 -0.61 -0.07 -0.54 -1.51 0.00 0.00 177.10 174.37 2dm0 s LYS 9 N -4.29 0.68 0.37 -0.60 1.02 -1.26 -5.12 119.74 110.55 2dm0 s LYS 9 Ca 0.56 -0.23 -0.23 0.00 0.02 0.00 0.00 55.97 56.10 2dm0 s LYS 9 Cb -0.10 -0.67 -0.15 0.00 -0.52 0.00 0.00 37.83 36.39 2dm0 s LYS 9 CO 0.37 0.10 0.27 -0.89 -0.92 0.00 0.00 175.35 174.28 2dm0 n ILE 10 N 3.21 1.14 -2.31 2.17 5.41 -1.26 -4.88 119.36 122.84 2dm0 n ILE 10 Ca -0.17 -0.50 -0.34 0.00 1.00 0.00 0.00 62.75 62.75 2dm0 n ILE 10 Cb 0.56 -0.13 0.01 0.00 -0.71 0.00 0.00 39.64 39.37 2dm0 n ILE 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2dm0 n THR 11 N -0.79 3.33 -1.88 1.39 -1.04 -1.26 -5.01 114.28 109.02 2dm0 n THR 11 Ca 0.12 -4.84 -0.42 0.00 -2.04 0.00 0.00 64.05 56.87 2dm0 n THR 11 Cb 0.37 -1.30 -0.03 0.00 -1.82 0.00 0.00 70.33 67.56 2dm0 n THR 11 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2dm0 s ASN 12 N -2.28 5.66 -0.16 8.00 4.22 -1.26 -4.79 114.94 124.33 2dm0 s ASN 12 Ca 0.49 1.36 0.02 0.00 -2.14 0.00 0.00 52.86 52.60 2dm0 s ASN 12 Cb 0.38 -2.52 -0.11 0.00 1.28 0.00 0.00 41.25 40.28 2dm0 s ASN 12 CO -0.28 -1.89 -0.12 0.18 -2.04 0.00 0.00 177.10 172.96 2dm0 n LEU 13 N 11.12 2.61 -0.37 3.54 4.77 -1.26 -4.53 117.00 132.87 2dm0 n LEU 13 Ca 0.25 -0.08 0.29 0.00 -0.03 0.00 0.00 56.01 56.44 2dm0 n LEU 13 Cb 0.47 -0.45 0.56 0.00 -2.33 0.00 0.00 43.42 41.68 2dm0 n LEU 13 CO 0.68 0.71 1.22 1.05 -1.33 0.00 0.00 177.39 179.72 2dm0 h GLU 14 N 0.00 0.25 -0.83 3.23 4.11 -1.88 0.63 114.58 120.09 2dm0 h GLU 14 Ca -0.36 -0.02 0.15 0.00 0.07 0.00 0.00 59.36 59.21 2dm0 h GLU 14 Cb 1.58 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.72 2dm0 h GLU 14 CO -0.05 0.17 0.55 -0.84 0.07 0.00 0.00 179.01 178.91 2dm0 h ILE 15 N 0.26 0.80 -3.38 -1.06 3.07 -1.97 -3.42 117.51 111.81 2dm0 h ILE 15 Ca 0.70 -0.18 -0.34 0.00 1.55 0.00 0.00 64.86 66.58 2dm0 h ILE 15 Cb 1.95 0.21 0.14 0.00 -0.27 0.00 0.00 36.82 38.86 2dm0 h ILE 15 CO -0.37 0.10 0.29 -1.22 -1.05 0.00 0.00 178.15 175.90 2dm0 n TYR 16 N -4.52 -3.95 -0.02 0.16 4.01 0.22 -5.04 117.16 108.02 2dm0 n TYR 16 Ca 0.16 -0.91 -0.02 0.00 -0.16 0.00 0.00 57.90 56.97 2dm0 n TYR 16 Cb 0.52 -0.83 -0.03 0.00 -0.31 0.00 0.00 39.34 38.69 2dm0 n TYR 16 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2dm0 n GLU 17 N -3.40 3.03 0.00 -0.72 0.28 -1.26 -4.56 120.64 114.01 2dm0 n GLU 17 Ca 0.13 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.21 2dm0 n GLU 17 Cb 0.46 -1.09 0.47 0.00 1.43 0.00 0.00 31.44 32.71 2dm0 n GLU 17 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 177.13 174.30 2dm0 n TRP 18 N -2.19 0.00 -3.38 -1.84 4.27 -1.25 -2.18 117.44 110.88 2dm0 n TRP 18 Ca -0.06 0.00 -0.45 0.00 -3.89 0.00 0.00 57.50 53.10 2dm0 n TRP 18 Cb 0.61 -0.07 -0.03 0.00 -1.36 0.00 0.00 31.31 30.46 2dm0 n TRP 18 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 2dm0 s TYR 19 N -2.14 3.81 -0.94 -2.67 5.04 -1.26 -0.31 117.35 118.88 2dm0 s TYR 19 Ca 0.23 -2.20 -0.21 0.00 -2.44 0.00 0.00 57.07 52.44 2dm0 s TYR 19 Cb 0.11 -3.74 0.09 0.00 0.35 0.00 0.00 41.96 38.77 2dm0 s TYR 19 CO 0.20 -0.96 1.24 -1.01 -1.34 0.00 0.00 175.55 173.68 2dm0 s HIS 20 N -0.12 2.83 -0.05 4.97 3.76 -0.37 -4.78 115.29 121.53 2dm0 s HIS 20 Ca 0.20 -1.08 -0.00 0.00 -0.15 0.00 0.00 55.06 54.03 2dm0 s HIS 20 Cb -0.11 -4.45 -0.26 0.00 1.11 0.00 0.00 32.58 28.87 2dm0 s HIS 20 CO -0.08 -1.69 0.66 0.07 -0.85 0.00 0.00 174.74 172.84 2dm0 h ARG 21 N 9.29 0.19 -2.72 1.40 -0.00 -1.95 -3.34 114.38 117.25 2dm0 h ARG 21 Ca 0.13 -0.33 -0.74 0.00 -0.00 0.00 0.00 59.98 59.04 2dm0 h ARG 21 Cb 1.02 0.12 -0.11 0.00 -0.00 0.00 0.00 29.97 31.00 2dm0 h ARG 21 CO 1.24 0.99 2.50 -1.71 -0.00 0.00 0.00 179.97 183.00 2dm0 n ASN 22 N -3.36 7.87 -3.54 0.08 2.85 -1.26 -4.63 115.26 113.26 2dm0 n ASN 22 Ca -0.21 -3.10 -0.13 0.00 -0.11 0.00 0.00 54.58 51.03 2dm0 n ASN 22 Cb 1.05 -1.39 -0.05 0.00 1.24 0.00 0.00 39.78 40.63 2dm0 n ASN 22 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2dm0 s ILE 23 N -0.77 0.00 0.12 -1.44 -4.36 -1.26 -5.14 121.20 108.34 2dm0 s ILE 23 Ca 0.54 -1.58 0.05 0.00 -0.26 0.00 0.00 60.65 59.39 2dm0 s ILE 23 Cb 0.18 -2.51 -0.04 0.00 1.25 0.00 0.00 42.46 41.34 2dm0 s ILE 23 CO -0.08 0.00 -0.11 0.28 0.24 0.00 0.00 174.94 175.26 2dm0 s THR 24 N -3.42 1.11 0.17 8.37 -1.32 -1.26 -4.90 115.64 114.39 2dm0 s THR 24 Ca 0.29 -1.79 -0.06 0.00 -1.21 0.00 0.00 61.69 58.93 2dm0 s THR 24 Cb 0.00 -1.55 0.26 0.00 -1.51 0.00 0.00 72.50 69.70 2dm0 s THR 24 CO 0.16 -0.58 0.95 -1.14 -2.21 0.00 0.00 174.62 171.81 2dm0 n ARG 25 N 0.33 -0.07 -0.09 7.08 3.00 -1.26 0.22 116.66 125.87 2dm0 n ARG 25 Ca -0.14 0.95 -0.06 0.00 -0.00 0.00 0.00 57.85 58.60 2dm0 n ARG 25 Cb 0.58 -1.41 0.01 0.00 0.00 0.00 0.00 32.46 31.64 2dm0 n ARG 25 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2dm0 h ASN 26 N 0.00 -0.05 0.44 6.15 4.21 -2.00 -2.84 115.58 121.50 2dm0 h ASN 26 Ca 0.28 0.06 -0.01 0.00 1.21 0.00 0.00 56.30 57.84 2dm0 h ASN 26 Cb 0.43 0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.71 2dm0 h ASN 26 CO -0.62 0.01 -0.36 1.56 -1.29 0.00 0.00 177.43 176.72 2dm0 h GLN 27 N 0.15 -0.78 -0.93 0.81 1.08 0.23 0.12 115.11 115.80 2dm0 h GLN 27 Ca 0.16 0.05 0.25 0.00 -1.45 0.00 0.00 58.65 57.66 2dm0 h GLN 27 Cb 0.20 0.18 -0.17 0.00 -0.05 0.00 0.00 27.48 27.63 2dm0 h GLN 27 CO -0.23 -0.52 -0.00 0.00 -0.95 0.00 0.00 178.83 177.13 2dm0 n ALA 28 N -2.63 0.45 -0.03 3.87 0.00 -0.62 0.53 120.51 122.08 2dm0 n ALA 28 Ca -0.11 1.00 -0.13 0.00 0.00 0.00 0.00 53.44 54.20 2dm0 n ALA 28 Cb 0.38 -0.72 -0.11 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.02 0.24 0.00 5.08 -1.26 -3.28 114.58 115.34 2dm0 h GLU 29 Ca 0.55 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.91 2dm0 h GLU 29 Cb 1.12 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2dm0 h GLU 29 CO -0.88 0.67 -0.36 1.25 -1.00 0.00 0.00 179.01 178.69 2dm0 h HIS 30 N -0.76 -1.02 -0.77 4.33 2.76 0.20 -0.56 115.15 119.34 2dm0 h HIS 30 Ca -0.00 0.02 0.18 0.00 -2.20 0.00 0.00 60.37 58.37 2dm0 h HIS 30 Cb 0.71 0.41 -0.14 0.00 1.55 0.00 0.00 27.41 29.93 2dm0 h HIS 30 CO 0.17 -0.45 -0.09 1.28 -1.30 0.00 0.00 177.93 177.55 2dm0 n LEU 31 N -4.54 -0.18 -0.07 0.26 4.77 0.19 0.14 117.00 117.57 2dm0 n LEU 31 Ca -0.07 1.31 -0.12 0.00 -0.03 0.00 0.00 56.01 57.10 2dm0 n LEU 31 Cb 0.31 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 40.91 2dm0 n LEU 31 CO 0.15 -1.30 0.72 -0.07 -1.33 0.00 0.00 177.39 175.57 2dm0 h LEU 32 N 0.00 0.37 -0.95 2.23 3.38 -1.49 -3.06 115.31 115.80 2dm0 h LEU 32 Ca 0.42 -0.35 0.28 0.00 0.09 0.00 0.00 57.88 58.32 2dm0 h LEU 32 Cb 0.76 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.26 2dm0 h LEU 32 CO -0.76 0.63 0.38 0.03 0.09 0.00 0.00 178.44 178.82 2dm0 h ARG 33 N 0.10 0.23 -0.87 1.13 2.47 0.29 0.75 114.38 118.48 2dm0 h ARG 33 Ca 0.05 -0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.79 2dm0 h ARG 33 Cb 0.46 -0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.68 2dm0 h ARG 33 CO 0.02 0.15 0.57 1.96 0.56 0.00 0.00 179.97 183.23 2dm0 h GLN 34 N 0.24 1.08 0.04 0.04 4.20 -1.27 -2.85 115.11 116.59 2dm0 h GLN 34 Ca 0.65 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 59.29 2dm0 h GLN 34 Cb 1.42 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.96 2dm0 h GLN 34 CO -0.65 0.71 -0.02 0.93 -0.67 0.00 0.00 178.83 179.13 2dm0 h GLU 35 N 1.11 -0.06 -6.27 1.46 4.39 0.41 -3.48 114.58 112.14 2dm0 h GLU 35 Ca 0.34 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.59 2dm0 h GLU 35 Cb -0.01 0.01 0.04 0.00 -0.10 0.00 0.00 28.75 28.68 2dm0 h GLU 35 CO -0.10 0.41 -0.90 0.43 -1.16 0.00 0.00 179.01 177.70 2dm0 n SER 36 N -4.89 -2.76 -3.27 1.42 7.64 -0.51 -4.98 113.62 106.27 2dm0 n SER 36 Ca -0.08 -0.97 0.03 0.00 1.01 0.00 0.00 58.87 58.86 2dm0 n SER 36 Cb 0.25 -3.45 -0.02 0.00 -1.01 0.00 0.00 64.21 59.99 2dm0 n SER 36 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2dm0 s LYS 37 N -6.14 0.55 0.08 1.43 -2.85 -1.26 -5.05 119.74 106.50 2dm0 s LYS 37 Ca 0.21 1.07 -0.23 0.00 -1.00 0.00 0.00 55.97 56.03 2dm0 s LYS 37 Cb -0.07 0.61 -0.12 0.00 -2.06 0.00 0.00 37.83 36.18 2dm0 s LYS 37 CO 0.86 -0.49 0.51 -1.91 0.10 0.00 0.00 175.35 174.41 2dm0 n GLU 38 N 5.43 0.00 0.00 1.78 0.00 -1.26 -2.81 120.64 123.78 2dm0 n GLU 38 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.12 2dm0 n GLU 38 Cb 0.51 -0.82 0.00 0.00 0.00 0.00 0.00 31.44 31.12 2dm0 n GLU 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dm0 n GLY 39 N 1.24 3.32 3.71 8.31 0.00 -1.08 -4.77 105.19 115.91 2dm0 n GLY 39 Ca 0.13 -1.04 -0.64 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.83 -2.17 4.61 0.00 -1.12 -3.82 120.51 117.18 2dm0 n ALA 40 Ca 0.00 0.43 -0.10 0.00 0.00 0.00 0.00 53.44 53.77 2dm0 n ALA 40 Cb 0.00 -2.04 -0.10 0.00 0.00 0.00 0.00 19.45 17.30 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 3.43 0.93 0.17 0.00 -0.71 -1.09 0.68 117.98 121.40 2dm0 s PHE 41 Ca 1.04 -1.19 -0.24 0.00 -1.04 0.00 0.00 56.93 55.50 2dm0 s PHE 41 Cb -1.34 -0.53 0.06 0.00 -1.21 0.00 0.00 43.02 40.00 2dm0 s PHE 41 CO 0.75 -0.45 0.84 0.96 -1.34 0.00 0.00 175.22 175.98 2dm0 s ILE 42 N -3.97 0.00 -0.28 -4.49 -4.36 -0.99 -3.11 121.20 104.01 2dm0 s ILE 42 Ca 0.24 -0.61 0.01 0.00 -0.26 0.00 0.00 60.65 60.03 2dm0 s ILE 42 Cb 0.07 -1.76 0.08 0.00 1.25 0.00 0.00 42.46 42.10 2dm0 s ILE 42 CO 0.02 0.00 0.01 -0.69 0.24 0.00 0.00 174.94 174.52 2dm0 s VAL 43 N -3.50 1.47 0.29 8.37 1.01 0.57 -1.45 120.40 127.16 2dm0 s VAL 43 Ca 0.10 -1.48 0.02 0.00 0.00 0.00 0.00 61.98 60.62 2dm0 s VAL 43 Cb -0.03 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 2dm0 s VAL 43 CO 0.01 -0.37 0.45 0.00 0.00 0.00 0.00 175.10 175.19 2dm0 s ARG 44 N 1.37 3.47 -0.24 2.72 1.70 0.01 -1.24 118.95 126.74 2dm0 s ARG 44 Ca 0.02 -0.51 -0.16 0.00 -0.47 0.00 0.00 55.73 54.61 2dm0 s ARG 44 Cb -0.18 -2.78 -0.03 0.00 -0.57 0.00 0.00 34.95 31.39 2dm0 s ARG 44 CO -0.12 0.29 0.43 -0.51 -1.08 0.00 0.00 175.30 174.32 2dm0 s ASP 45 N -3.91 6.38 -1.01 -2.89 1.01 -1.25 -1.45 116.67 113.55 2dm0 s ASP 45 Ca 0.37 0.45 -0.21 0.00 0.71 0.00 0.00 52.55 53.87 2dm0 s ASP 45 Cb -0.10 -2.24 -0.10 0.00 1.01 0.00 0.00 42.92 41.49 2dm0 s ASP 45 CO 0.32 -0.18 1.94 -1.20 0.21 0.00 0.00 175.17 176.26 2dm0 n SER 46 N 5.09 3.00 -0.33 0.27 7.64 -0.70 -4.75 113.62 123.84 2dm0 n SER 46 Ca -0.07 -2.72 0.29 0.00 1.01 0.00 0.00 58.87 57.38 2dm0 n SER 46 Cb 0.51 -1.42 0.49 0.00 -1.01 0.00 0.00 64.21 62.78 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 7.48 -0.03 -0.08 1.43 3.00 -1.26 0.73 116.66 127.92 2dm0 n ARG 47 Ca 0.48 0.94 -0.09 0.00 -0.00 0.00 0.00 57.85 59.18 2dm0 n ARG 47 Cb 0.43 -1.83 -0.03 0.00 0.00 0.00 0.00 32.46 31.03 2dm0 n ARG 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2dm0 h HIS 48 N 0.00 -1.01 -3.50 -0.14 -0.00 -1.95 -3.44 115.15 105.11 2dm0 h HIS 48 Ca 0.65 0.06 -0.44 0.00 -0.00 0.00 0.00 60.37 60.63 2dm0 h HIS 48 Cb 2.03 0.49 -0.14 0.00 -0.00 0.00 0.00 27.41 29.79 2dm0 h HIS 48 CO -0.00 -0.41 -0.56 -1.17 -0.00 0.00 0.00 177.93 175.78 2dm0 s LEU 49 N -10.52 1.80 0.00 0.26 2.96 0.22 -5.02 118.68 108.39 2dm0 s LEU 49 Ca -0.15 -1.53 -0.03 0.00 -0.22 0.00 0.00 54.13 52.20 2dm0 s LEU 49 Cb 0.12 0.03 -0.12 0.00 0.50 0.00 0.00 46.19 46.73 2dm0 s LEU 49 CO 0.67 -0.84 2.25 0.61 -1.32 0.00 0.00 176.35 177.72 2dm0 n GLY 50 N -0.65 2.26 2.64 7.98 0.00 -1.26 -4.41 105.19 111.74 2dm0 n GLY 50 Ca -0.01 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 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 2.23 2.38 -4.30 1.61 7.64 -1.26 -5.05 113.62 116.87 2dm0 n SER 51 Ca 0.19 -2.65 -0.16 0.00 1.01 0.00 0.00 58.87 57.26 2dm0 n SER 51 Cb 0.55 0.45 -0.10 0.00 -1.01 0.00 0.00 64.21 64.09 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 -2.48 1.43 -0.06 1.43 1.51 -1.26 -1.72 117.35 116.19 2dm0 s TYR 52 Ca 0.06 -0.87 -0.05 0.00 -1.01 0.00 0.00 57.07 55.20 2dm0 s TYR 52 Cb 0.00 -0.80 0.03 0.00 -0.11 0.00 0.00 41.96 41.08 2dm0 s TYR 52 CO 0.04 -0.01 0.16 0.99 -1.11 0.00 0.00 175.55 175.62 2dm0 s THR 53 N -3.41 -0.02 -0.09 -0.71 2.01 -0.53 -0.91 115.64 111.99 2dm0 s THR 53 Ca 0.24 0.07 -0.09 0.00 0.31 0.00 0.00 61.69 62.22 2dm0 s THR 53 Cb 0.05 -0.24 -0.05 0.00 0.01 0.00 0.00 72.50 72.27 2dm0 s THR 53 CO 0.06 0.03 0.22 -0.63 -0.69 0.00 0.00 174.62 173.60 2dm0 s ILE 54 N 0.54 5.36 -0.31 1.82 1.01 0.70 -0.81 121.20 129.51 2dm0 s ILE 54 Ca -0.04 0.40 0.02 0.00 0.00 0.00 0.00 60.65 61.03 2dm0 s ILE 54 Cb -0.05 -3.50 0.09 0.00 0.01 0.00 0.00 42.46 39.01 2dm0 s ILE 54 CO -0.03 0.60 0.04 -0.44 0.00 0.00 0.00 174.94 175.11 2dm0 s SER 55 N -0.98 4.38 0.14 3.58 0.01 -0.53 -0.86 113.70 119.45 2dm0 s SER 55 Ca 0.17 -1.80 0.03 0.00 1.31 0.00 0.00 55.95 55.66 2dm0 s SER 55 Cb -0.13 -1.33 -0.04 0.00 0.21 0.00 0.00 66.02 64.73 2dm0 s SER 55 CO 0.07 -0.36 0.22 -0.69 0.41 0.00 0.00 173.24 172.89 2dm0 s VAL 56 N 1.20 5.01 -0.34 3.43 1.01 -1.21 -2.34 120.40 127.16 2dm0 s VAL 56 Ca 0.07 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 2dm0 s VAL 56 Cb -0.19 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 2dm0 s VAL 56 CO -0.12 -0.06 0.21 0.12 0.00 0.00 0.00 175.10 175.24 2dm0 s PHE 57 N -1.70 3.21 0.04 5.22 5.36 0.21 -1.54 117.98 128.79 2dm0 s PHE 57 Ca 0.33 -0.48 -0.16 0.00 -0.96 0.00 0.00 56.93 55.66 2dm0 s PHE 57 Cb -0.11 -2.43 -0.31 0.00 -0.34 0.00 0.00 43.02 39.83 2dm0 s PHE 57 CO 0.26 -0.45 1.07 0.52 -1.46 0.00 0.00 175.22 175.16 2dm0 h MET 58 N 8.44 0.60 -0.93 10.12 2.86 -0.92 -2.86 114.93 132.24 2dm0 h MET 58 Ca -0.31 -0.84 0.00 0.00 -2.06 0.00 0.00 59.70 56.49 2dm0 h MET 58 Cb 1.14 0.29 0.00 0.00 0.06 0.00 0.00 31.60 33.09 2dm0 h MET 58 CO 0.64 1.39 -0.11 0.41 1.06 0.00 0.00 176.91 180.30 2dm0 n GLY 59 N 1.45 -3.69 3.93 8.32 0.00 -1.08 -4.35 105.19 109.77 2dm0 n GLY 59 Ca -0.14 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.81 2dm0 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm0 s ALA 60 N -0.56 3.51 -0.14 4.61 0.00 -1.26 -4.70 121.76 123.21 2dm0 s ALA 60 Ca 0.00 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 2dm0 s ALA 60 Cb 0.00 -2.41 -0.25 0.00 0.00 0.00 0.00 23.12 20.46 2dm0 s ALA 60 CO 0.00 -0.43 0.29 0.54 0.00 0.00 0.00 175.76 176.16 2dm0 n ARG 61 N -2.23 0.75 -1.08 0.00 5.12 -1.26 -4.82 116.66 113.13 2dm0 n ARG 61 Ca 0.01 0.25 -0.37 0.00 -1.93 0.00 0.00 57.85 55.81 2dm0 n ARG 61 Cb 0.57 -1.68 0.03 0.00 -1.16 0.00 0.00 32.46 30.21 2dm0 n ARG 61 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2dm0 n ARG 62 N -3.45 0.00 0.00 5.56 3.00 -1.26 -4.83 116.66 115.67 2dm0 n ARG 62 Ca -0.34 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.50 2dm0 n ARG 62 Cb 1.04 -1.01 0.00 0.00 0.00 0.00 0.00 32.46 32.49 2dm0 n ARG 62 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2dm0 n SER 63 N 3.12 0.00 -4.03 0.55 7.64 -1.26 -3.83 113.62 115.81 2dm0 n SER 63 Ca 0.01 0.93 -0.33 0.00 1.01 0.00 0.00 58.87 60.49 2dm0 n SER 63 Cb 0.53 -0.43 -0.12 0.00 -1.01 0.00 0.00 64.21 63.18 2dm0 n SER 63 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2dm0 s THR 64 N -2.71 3.12 0.33 0.44 -4.23 -1.26 -5.06 115.64 106.27 2dm0 s THR 64 Ca 0.00 -3.05 -0.06 0.00 -1.18 0.00 0.00 61.69 57.40 2dm0 s THR 64 Cb 0.00 -3.10 0.01 0.00 1.34 0.00 0.00 72.50 70.75 2dm0 s THR 64 CO 0.00 -0.82 0.50 -1.61 -0.54 0.00 0.00 174.62 172.16 2dm0 s GLU 65 N -0.06 1.87 0.23 3.99 0.41 -1.25 -5.14 118.70 118.75 2dm0 s GLU 65 Ca 0.16 -1.63 -0.21 0.00 -0.41 0.00 0.00 54.97 52.89 2dm0 s GLU 65 Cb -0.23 0.47 0.04 0.00 -1.78 0.00 0.00 34.13 32.63 2dm0 s GLU 65 CO -0.02 -0.79 0.64 0.00 -0.49 0.00 0.00 175.26 174.60 2dm0 s ALA 66 N -3.16 -1.27 -0.17 5.21 0.00 -1.26 -4.30 121.76 116.81 2dm0 s ALA 66 Ca 0.27 -0.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.07 2dm0 s ALA 66 Cb -0.01 0.87 0.06 0.00 0.00 0.00 0.00 23.12 24.04 2dm0 s ALA 66 CO 0.17 -0.91 0.43 0.00 0.00 0.00 0.00 175.76 175.45 2dm0 s ALA 67 N -3.86 -1.09 -0.03 0.00 0.00 -1.26 -4.49 121.76 111.03 2dm0 s ALA 67 Ca 0.08 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.54 2dm0 s ALA 67 Cb -0.03 -0.90 0.03 0.00 0.00 0.00 0.00 23.12 22.21 2dm0 s ALA 67 CO -0.01 -0.26 0.00 0.42 0.00 0.00 0.00 175.76 175.92 2dm0 s ILE 68 N 1.13 0.13 0.41 0.00 1.01 -1.26 -0.21 121.20 122.41 2dm0 s ILE 68 Ca -0.07 0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.75 2dm0 s ILE 68 Cb -0.07 -0.23 -0.00 0.00 0.01 0.00 0.00 42.46 42.17 2dm0 s ILE 68 CO -0.10 0.13 0.50 -0.54 0.00 0.00 0.00 174.94 174.93 2dm0 s LYS 69 N 0.97 2.79 -0.20 2.79 3.01 -0.59 -4.96 119.74 123.57 2dm0 s LYS 69 Ca -0.09 -1.28 -0.05 0.00 -1.01 0.00 0.00 55.97 53.54 2dm0 s LYS 69 Cb -0.13 -2.67 0.07 0.00 -1.01 0.00 0.00 37.83 34.09 2dm0 s LYS 69 CO -0.02 -0.20 0.09 -1.01 0.51 0.00 0.00 175.35 174.73 2dm0 s HIS 70 N -2.36 0.28 -0.32 3.18 3.76 -1.26 -3.33 115.29 115.24 2dm0 s HIS 70 Ca 0.52 -0.47 -0.10 0.00 -0.15 0.00 0.00 55.06 54.86 2dm0 s HIS 70 Cb -0.08 -0.76 -0.00 0.00 1.11 0.00 0.00 32.58 32.84 2dm0 s HIS 70 CO 0.31 -0.58 0.17 0.71 -0.85 0.00 0.00 174.74 174.50 2dm0 s TYR 71 N 2.11 3.19 -0.07 1.40 2.02 -0.04 -4.94 117.35 121.03 2dm0 s TYR 71 Ca 0.03 -0.59 -0.27 0.00 -0.37 0.00 0.00 57.07 55.88 2dm0 s TYR 71 Cb -0.16 -2.38 -0.03 0.00 -0.40 0.00 0.00 41.96 38.99 2dm0 s TYR 71 CO -0.15 -0.47 0.87 -0.65 -1.57 0.00 0.00 175.55 173.58 2dm0 s GLN 72 N 1.62 4.45 -0.57 -0.62 -0.21 -1.26 -0.22 119.66 122.85 2dm0 s GLN 72 Ca 0.04 1.17 -0.22 0.00 0.02 0.00 0.00 55.36 56.37 2dm0 s GLN 72 Cb -0.17 -3.49 0.05 0.00 1.00 0.00 0.00 33.01 30.40 2dm0 s GLN 72 CO 0.07 -0.11 0.87 0.42 -2.12 0.00 0.00 175.29 174.43 2dm0 s ILE 73 N 1.31 4.49 0.57 1.08 1.01 -0.09 -4.68 121.20 124.89 2dm0 s ILE 73 Ca 0.44 -0.10 0.07 0.00 0.00 0.00 0.00 60.65 61.06 2dm0 s ILE 73 Cb -0.19 -4.53 0.08 0.00 0.01 0.00 0.00 42.46 37.84 2dm0 s ILE 73 CO 0.20 -1.14 0.79 -0.54 0.00 0.00 0.00 174.94 174.25 2dm0 s LYS 74 N 3.66 2.29 -0.02 2.79 1.02 -0.85 -4.14 119.74 124.49 2dm0 s LYS 74 Ca 0.24 -1.43 0.06 0.00 0.02 0.00 0.00 55.97 54.86 2dm0 s LYS 74 Cb -0.15 -2.60 -0.01 0.00 -0.52 0.00 0.00 37.83 34.54 2dm0 s LYS 74 CO 0.15 -0.86 -0.20 0.21 -0.92 0.00 0.00 175.35 173.73 2dm0 s LYS 75 N -4.70 1.64 0.50 1.68 2.20 -1.26 -1.42 119.74 118.37 2dm0 s LYS 75 Ca 0.61 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 2dm0 s LYS 75 Cb -0.07 -1.56 0.10 0.00 -1.51 0.00 0.00 37.83 34.80 2dm0 s LYS 75 CO 0.39 0.40 0.68 0.27 -0.36 0.00 0.00 175.35 176.74 2dm0 n ASN 76 N 2.66 0.99 -0.00 1.43 0.23 -0.99 -4.88 115.26 114.70 2dm0 n ASN 76 Ca -0.15 -1.82 0.13 0.00 -0.53 0.00 0.00 54.58 52.20 2dm0 n ASN 76 Cb 0.53 -0.44 0.56 0.00 -2.08 0.00 0.00 39.78 38.35 2dm0 n ASN 76 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 2dm0 h ASP 77 N -0.37 0.24 0.00 0.53 3.04 -2.01 0.20 116.42 118.04 2dm0 h ASP 77 Ca -0.23 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.57 2dm0 h ASP 77 Cb 0.85 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.10 2dm0 h ASP 77 CO 0.25 0.15 0.00 -0.24 -2.04 0.00 0.00 179.24 177.36 2dm0 n SER 78 N -4.46 0.36 -3.98 4.15 2.88 -1.26 -4.85 113.62 106.46 2dm0 n SER 78 Ca 0.07 -1.95 -0.31 0.00 -1.33 0.00 0.00 58.87 55.35 2dm0 n SER 78 Cb 0.35 -0.18 0.02 0.00 -0.75 0.00 0.00 64.21 63.65 2dm0 n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm0 n GLY 79 N 0.31 -0.48 3.52 0.46 0.00 0.71 -4.96 105.19 104.74 2dm0 n GLY 79 Ca 0.00 0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -6.68 2.45 -0.13 1.61 -0.21 -1.26 -4.88 119.66 110.56 2dm0 s GLN 80 Ca 0.67 -0.75 -0.29 0.00 0.02 0.00 0.00 55.36 55.00 2dm0 s GLN 80 Cb -0.34 -2.40 -0.01 0.00 1.00 0.00 0.00 33.01 31.27 2dm0 s GLN 80 CO 0.85 0.60 1.00 -1.58 -2.12 0.00 0.00 175.29 174.04 2dm0 s TRP 81 N -0.87 3.48 0.03 0.91 0.52 -1.21 -2.34 118.94 119.46 2dm0 s TRP 81 Ca 0.14 1.54 -0.05 0.00 0.02 0.00 0.00 56.10 57.75 2dm0 s TRP 81 Cb -0.11 -3.18 -0.01 0.00 -1.15 0.00 0.00 33.47 29.02 2dm0 s TRP 81 CO 0.04 -0.27 0.10 1.52 0.02 0.00 0.00 176.95 178.36 2dm0 s TYR 82 N 2.22 0.19 0.00 -1.98 -0.85 -0.51 -2.52 117.35 113.91 2dm0 s TYR 82 Ca 0.47 -0.48 0.00 0.00 -0.52 0.00 0.00 57.07 56.54 2dm0 s TYR 82 Cb -0.18 -0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.03 2dm0 s TYR 82 CO 0.15 -0.36 0.00 0.28 -1.52 0.00 0.00 175.55 174.11 2dm0 n VAL 83 N 0.84 0.00 0.32 -3.49 0.31 -1.26 -2.01 118.33 113.04 2dm0 n VAL 83 Ca -0.19 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.16 2dm0 n VAL 83 Cb 0.58 -1.04 0.15 0.00 -0.91 0.00 0.00 33.84 32.62 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 -2.73 3.00 -2.17 3.52 0.00 -1.26 -4.86 120.51 116.01 2dm0 n ALA 84 Ca 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 53.44 52.72 2dm0 n ALA 84 Cb 0.42 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 2dm0 n ALA 84 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2dm0 n GLU 85 N 0.22 -2.21 0.00 0.00 0.28 -1.26 -4.44 120.64 113.24 2dm0 n GLU 85 Ca 0.10 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 2dm0 n GLU 85 Cb 0.59 -3.24 0.00 0.00 1.43 0.00 0.00 31.44 30.22 2dm0 n GLU 85 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2dm0 n ARG 86 N -1.96 2.64 -3.70 3.44 5.12 -1.26 -5.03 116.66 115.91 2dm0 n ARG 86 Ca 0.01 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.67 2dm0 n ARG 86 Cb 0.35 -0.68 -0.17 0.00 -1.16 0.00 0.00 32.46 30.80 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 -1.05 0.63 0.07 -1.55 3.76 -1.26 -5.14 115.29 110.75 2dm0 s HIS 87 Ca 0.00 -0.50 0.02 0.00 -0.15 0.00 0.00 55.06 54.43 2dm0 s HIS 87 Cb 0.00 -0.85 -0.04 0.00 1.11 0.00 0.00 32.58 32.80 2dm0 s HIS 87 CO 0.00 -0.51 0.11 0.00 -0.85 0.00 0.00 174.74 173.49 2dm0 s ALA 88 N 1.99 3.67 0.30 -1.40 0.00 -1.26 -4.47 121.76 120.58 2dm0 s ALA 88 Ca 0.01 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.02 2dm0 s ALA 88 Cb -0.16 -1.54 -0.00 0.00 0.00 0.00 0.00 23.12 21.42 2dm0 s ALA 88 CO -0.08 0.76 0.05 1.19 0.00 0.00 0.00 175.76 177.68 2dm0 n PHE 89 N 0.48 0.44 -0.03 0.00 3.01 -1.05 -4.98 117.46 115.33 2dm0 n PHE 89 Ca -0.08 -1.66 0.02 0.00 1.01 0.00 0.00 57.45 56.74 2dm0 n PHE 89 Cb 0.52 -0.11 -0.12 0.00 -0.01 0.00 0.00 39.48 39.75 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 -0.71 0.95 -4.15 -1.08 6.02 -1.26 -3.36 117.38 113.79 2dm0 n GLN 90 Ca -0.09 -0.09 -0.16 0.00 -0.01 0.00 0.00 57.00 56.66 2dm0 n GLN 90 Cb 0.41 -1.37 -0.12 0.00 1.02 0.00 0.00 30.24 30.17 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 -4.18 1.06 0.14 1.08 0.01 -1.26 -4.86 113.70 105.69 2dm0 s SER 91 Ca -0.06 -0.45 -0.17 0.00 1.31 0.00 0.00 55.95 56.58 2dm0 s SER 91 Cb 0.08 -0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.30 2dm0 s SER 91 CO 0.62 -0.09 1.76 0.40 0.41 0.00 0.00 173.24 176.35 2dm0 h ILE 92 N 4.58 0.96 0.00 1.44 1.08 -1.95 -0.86 117.51 122.76 2dm0 h ILE 92 Ca -0.35 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 2dm0 h ILE 92 Cb 1.19 0.64 0.00 0.00 -3.07 0.00 0.00 36.82 35.59 2dm0 h ILE 92 CO 0.43 0.05 0.00 -0.81 -0.69 0.00 0.00 178.15 177.13 2dm0 n PRO 93 N -4.98 0.46 -0.11 2.37 -0.04 -1.26 -2.73 135.00 128.71 2dm0 n PRO 93 Ca -0.00 0.02 -0.20 0.00 -0.04 0.00 0.00 63.50 63.27 2dm0 n PRO 93 Cb 0.09 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.93 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 -1.03 0.66 -0.13 0.54 -0.58 -0.37 -3.44 120.64 116.30 2dm0 n GLU 94 Ca 0.11 0.19 0.11 0.00 -0.42 0.00 0.00 57.16 57.15 2dm0 n GLU 94 Cb 0.06 -1.55 0.45 0.00 -0.57 0.00 0.00 31.44 29.83 2dm0 n GLU 94 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2dm0 h LEU 95 N -0.11 0.47 0.00 -4.62 6.46 -1.25 0.08 115.31 116.33 2dm0 h LEU 95 Ca -0.56 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.21 2dm0 h LEU 95 Cb 1.88 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.72 2dm0 h LEU 95 CO -0.10 0.28 -0.82 -0.38 -0.62 0.00 0.00 178.44 176.81 2dm0 n ILE 96 N -4.48 0.36 -0.21 4.05 2.08 -1.24 -3.27 119.36 116.66 2dm0 n ILE 96 Ca 0.11 -0.33 -0.04 0.00 0.56 0.00 0.00 62.75 63.05 2dm0 n ILE 96 Cb 0.35 -0.09 0.06 0.00 -0.75 0.00 0.00 39.64 39.21 2dm0 n ILE 96 CO 0.00 0.00 0.00 -0.25 0.56 0.00 0.00 176.55 176.86 2dm0 h TRP 97 N 0.00 0.66 0.00 1.39 -0.00 -1.00 -2.63 115.95 114.37 2dm0 h TRP 97 Ca 0.00 0.02 -0.21 0.00 -0.00 0.00 0.00 58.89 58.70 2dm0 h TRP 97 Cb 0.80 -0.21 -0.03 0.00 -0.00 0.00 0.00 29.16 29.72 2dm0 h TRP 97 CO 0.00 0.36 -1.14 1.88 -0.00 0.00 0.00 178.44 179.54 2dm0 h TYR 98 N 0.69 0.00 -1.07 2.65 -1.99 -1.70 -3.37 116.97 112.18 2dm0 h TYR 98 Ca 0.25 0.00 0.41 0.00 2.00 0.00 0.00 58.73 61.39 2dm0 h TYR 98 Cb 0.06 0.00 -0.15 0.00 2.00 0.00 0.00 36.73 38.65 2dm0 h TYR 98 CO -0.06 1.41 0.63 0.72 -0.00 0.00 0.00 178.16 180.85 2dm0 n HIS 99 N -4.45 0.89 0.08 4.88 8.25 -1.20 0.92 115.22 124.59 2dm0 n HIS 99 Ca -0.30 0.90 -0.12 0.00 -0.26 0.00 0.00 57.72 57.94 2dm0 n HIS 99 Cb 0.65 -1.31 -0.06 0.00 1.12 0.00 0.00 29.99 30.39 2dm0 n HIS 99 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2dm0 h GLN 100 N 0.00 -0.23 -0.22 -0.41 4.20 -1.63 -2.99 115.11 113.84 2dm0 h GLN 100 Ca 0.79 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 59.48 2dm0 h GLN 100 Cb 2.30 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 30.12 2dm0 h GLN 100 CO -0.59 -0.15 -0.02 0.45 -0.67 0.00 0.00 178.83 177.85 2dm0 h HIS 101 N -0.24 0.44 -3.43 2.96 3.86 0.36 -3.39 115.15 115.71 2dm0 h HIS 101 Ca 0.02 -0.08 -0.41 0.00 -1.16 0.00 0.00 60.37 58.74 2dm0 h HIS 101 Cb 0.25 -0.11 -0.35 0.00 1.06 0.00 0.00 27.41 28.27 2dm0 h HIS 101 CO -0.14 0.61 -0.77 -0.80 0.86 0.00 0.00 177.93 177.69 2dm0 s ASN 102 N -5.94 0.99 -0.65 2.45 0.01 -0.28 -5.06 114.94 106.45 2dm0 s ASN 102 Ca -0.14 -0.11 -0.27 0.00 -0.71 0.00 0.00 52.86 51.63 2dm0 s ASN 102 Cb 0.07 -0.42 0.02 0.00 0.41 0.00 0.00 41.25 41.32 2dm0 s ASN 102 CO 0.74 -0.08 1.42 0.00 -1.51 0.00 0.00 177.10 177.67 2dm0 s ALA 103 N 1.10 2.68 -1.00 0.60 0.00 -1.19 -3.68 121.76 120.26 2dm0 s ALA 103 Ca -0.08 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.82 2dm0 s ALA 103 Cb -0.14 -4.21 0.25 0.00 0.00 0.00 0.00 23.12 19.03 2dm0 s ALA 103 CO -0.01 -3.25 0.96 0.00 0.00 0.00 0.00 175.76 173.45 2dm0 s ALA 104 N 6.41 4.50 0.00 0.00 0.00 -1.26 -4.63 121.76 126.77 2dm0 s ALA 104 Ca 0.47 -3.78 0.00 0.00 0.00 0.00 0.00 51.96 48.65 2dm0 s ALA 104 Cb -0.10 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2dm0 s ALA 104 CO 0.20 -2.19 0.00 0.41 0.00 0.00 0.00 175.76 174.18 2dm0 n GLY 105 N 2.72 3.10 3.71 0.00 0.00 -1.26 -4.77 105.19 108.68 2dm0 n GLY 105 Ca 0.22 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 2dm0 n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dm0 n LEU 106 N 0.00 3.69 -0.19 0.99 4.32 -1.26 -4.88 117.00 119.66 2dm0 n LEU 106 Ca 0.00 1.20 -0.01 0.00 -0.02 0.00 0.00 56.01 57.18 2dm0 n LEU 106 Cb 0.00 -1.50 0.06 0.00 -1.62 0.00 0.00 43.42 40.36 2dm0 n LEU 106 CO 0.00 -0.39 0.76 0.24 -1.22 0.00 0.00 177.39 176.78 2dm0 h MET 107 N 2.76 0.02 -4.58 3.23 2.86 -1.97 -3.42 114.93 113.83 2dm0 h MET 107 Ca -0.47 -0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 56.88 2dm0 h MET 107 Cb 1.28 -0.00 -0.23 0.00 0.06 0.00 0.00 31.60 32.71 2dm0 h MET 107 CO 0.64 0.01 -0.74 -0.08 1.06 0.00 0.00 176.91 177.80 2dm0 s THR 108 N -6.21 0.56 0.32 2.22 -1.32 -1.26 -5.14 115.64 104.81 2dm0 s THR 108 Ca -0.14 -0.94 -0.28 0.00 -1.21 0.00 0.00 61.69 59.13 2dm0 s THR 108 Cb 0.18 -0.60 -0.09 0.00 -1.51 0.00 0.00 72.50 70.48 2dm0 s THR 108 CO 0.73 -0.27 1.10 -0.60 -2.21 0.00 0.00 174.62 173.36 2dm0 s ARG 109 N -1.32 4.47 -0.17 7.08 3.52 -1.26 -4.97 118.95 126.29 2dm0 s ARG 109 Ca -0.07 1.74 -0.29 0.00 -0.13 0.00 0.00 55.73 56.98 2dm0 s ARG 109 Cb -0.09 -2.98 -0.02 0.00 -1.56 0.00 0.00 34.95 30.30 2dm0 s ARG 109 CO 0.00 0.07 1.41 -0.51 -0.81 0.00 0.00 175.30 175.47 2dm0 s LEU 110 N -1.84 4.12 -0.01 -0.88 1.43 -1.26 -4.71 118.68 115.54 2dm0 s LEU 110 Ca 0.49 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 55.32 2dm0 s LEU 110 Cb -0.30 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.38 2dm0 s LEU 110 CO 0.38 -0.92 -0.01 -2.11 0.23 0.00 0.00 176.35 173.92 2dm0 n ARG 111 N 7.00 0.02 -3.60 1.70 1.85 -1.25 -4.74 116.66 117.63 2dm0 n ARG 111 Ca 0.16 0.01 -0.39 0.00 -1.00 0.00 0.00 57.85 56.62 2dm0 n ARG 111 Cb 0.45 -1.02 -0.07 0.00 -1.05 0.00 0.00 32.46 30.77 2dm0 n ARG 111 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2dm0 s TYR 112 N -2.02 3.59 -1.16 2.89 2.02 -1.25 -5.00 117.35 116.42 2dm0 s TYR 112 Ca -0.01 -2.61 -0.23 0.00 -0.37 0.00 0.00 57.07 53.86 2dm0 s TYR 112 Cb 0.00 -3.37 -0.10 0.00 -0.40 0.00 0.00 41.96 38.10 2dm0 s TYR 112 CO 0.02 -0.86 1.93 -0.35 -1.57 0.00 0.00 175.55 174.72 2dm0 n PRO 113 N 3.37 1.59 -1.36 -1.71 -0.04 -1.26 -2.68 135.00 132.91 2dm0 n PRO 113 Ca 0.12 -2.43 -0.53 0.00 -0.04 0.00 0.00 63.50 60.62 2dm0 n PRO 113 Cb 0.40 -3.68 -0.07 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 7.68 0.00 -2.13 0.52 0.31 -1.18 -4.69 118.33 118.84 2dm0 n VAL 114 Ca 0.45 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.47 2dm0 n VAL 114 Cb 0.46 -0.03 -0.01 0.00 -0.91 0.00 0.00 33.84 33.36 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 0.16 1.81 0.07 2.92 0.00 -1.26 -3.77 107.32 107.25 2dm0 s GLY 115 Ca 0.82 -0.02 -0.24 0.00 0.00 0.00 0.00 44.72 45.29 2dm0 s GLY 115 CO 0.53 0.25 1.38 1.41 0.00 0.00 0.00 173.10 176.66 2dm0 h LEU 116 N 0.21 -1.03 -0.20 0.66 3.38 -1.78 -3.10 115.31 113.44 2dm0 h LEU 116 Ca -0.45 0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.64 2dm0 h LEU 116 Cb 1.19 0.37 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 2dm0 h LEU 116 CO 0.62 -0.41 -0.12 0.23 0.09 0.00 0.00 178.44 178.86 2dm0 n MET 117 N -4.49 -0.09 -3.77 1.13 2.81 -1.26 -4.69 117.12 106.76 2dm0 n MET 117 Ca -0.07 1.05 -0.31 0.00 -1.81 0.00 0.00 57.70 56.56 2dm0 n MET 117 Cb 0.29 -1.56 -0.06 0.00 -0.71 0.00 0.00 33.22 31.18 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 -1.05 -0.34 2.94 3.03 0.00 -1.18 -4.87 105.19 103.73 2dm0 n GLY 118 Ca 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.70 0.07 -0.24 1.61 0.15 -1.26 -4.92 113.70 106.41 2dm0 s SER 119 Ca 0.60 -0.15 -0.19 0.00 0.70 0.00 0.00 55.95 56.91 2dm0 s SER 119 Cb -0.35 0.08 0.06 0.00 -1.71 0.00 0.00 66.02 64.10 2dm0 s SER 119 CO 0.74 -0.13 0.61 -0.55 1.20 0.00 0.00 173.24 175.11 2dm0 s SER 120 N -0.59 -0.70 0.00 5.45 0.15 -1.26 -5.13 113.70 111.62 2dm0 s SER 120 Ca -0.07 1.27 0.00 0.00 0.70 0.00 0.00 55.95 57.85 2dm0 s SER 120 Cb -0.04 1.24 0.00 0.00 -1.71 0.00 0.00 66.02 65.51 2dm0 s SER 120 CO -0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2dm0 n GLY 121 N 3.26 -0.16 0.00 9.45 0.00 -1.26 -5.01 105.19 111.48 2dm0 n GLY 121 Ca -0.16 0.73 0.07 0.00 0.00 0.00 0.00 46.02 46.66 2dm0 n GLY 121 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dm0 n PRO 122 N 0.00 0.20 -1.23 1.61 -0.04 -1.26 -4.85 135.00 129.43 2dm0 n PRO 122 Ca 0.00 0.15 -0.37 0.00 -0.04 0.00 0.00 63.50 63.24 2dm0 n PRO 122 Cb 0.00 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.02 2dm0 n PRO 122 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dm0 n SER 123 N -1.29 -2.11 -3.67 3.54 2.88 -1.26 -5.01 113.62 106.69 2dm0 n SER 123 Ca 0.07 0.57 -0.09 0.00 -1.33 0.00 0.00 58.87 58.09 2dm0 n SER 123 Cb 0.12 -1.11 -0.09 0.00 -0.75 0.00 0.00 64.21 62.38 2dm0 n SER 123 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dm0 s SER 124 N -1.34 -0.57 0.00 -3.46 1.04 -1.26 -5.26 113.70 102.85 2dm0 s SER 124 Ca 0.61 1.07 0.00 0.00 0.48 0.00 0.00 55.95 58.12 2dm0 s SER 124 Cb -0.36 1.11 0.00 0.00 0.10 0.00 0.00 66.02 66.87 2dm0 s SER 124 CO 0.62 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.24