#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dge n SER 2 N 0.00 6.10 -4.84 7.83 3.41 -1.26 -3.84 113.62 121.02 3dge n SER 2 Ca 0.00 -3.03 -0.34 0.00 -0.26 0.00 0.00 58.87 55.24 3dge n SER 2 Cb 0.00 -1.01 -0.06 0.00 -0.26 0.00 0.00 64.21 62.88 3dge n SER 2 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dge s LYS 3 N -1.80 4.02 0.40 4.33 1.02 -1.26 -4.87 119.74 121.59 3dge s LYS 3 Ca 0.31 0.60 -0.13 0.00 0.02 0.00 0.00 55.97 56.77 3dge s LYS 3 Cb 0.24 -2.72 -0.07 0.00 -0.52 0.00 0.00 37.83 34.76 3dge s LYS 3 CO 0.00 0.33 0.80 0.15 -0.92 0.00 0.00 175.35 175.71 3dge s LYS 4 N -2.42 3.88 -0.03 1.68 1.02 -1.26 -2.14 119.74 120.47 3dge s LYS 4 Ca 0.46 0.62 0.00 0.00 0.02 0.00 0.00 55.97 57.06 3dge s LYS 4 Cb -0.13 -2.35 0.03 0.00 -0.52 0.00 0.00 37.83 34.85 3dge s LYS 4 CO 0.19 -0.02 0.02 0.08 -0.92 0.00 0.00 175.35 174.70 3dge s VAL 5 N -2.31 0.06 -0.22 3.17 1.01 0.28 -2.83 120.40 119.58 3dge s VAL 5 Ca 0.54 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.56 3dge s VAL 5 Cb -0.10 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 3dge s VAL 5 CO 0.27 0.12 0.21 -0.22 0.00 0.00 0.00 175.10 175.48 3dge s LEU 6 N 1.12 4.16 -0.26 3.92 2.96 -0.72 -0.58 118.68 129.27 3dge s LEU 6 Ca -0.09 0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 54.05 3dge s LEU 6 Cb -0.13 -2.20 0.03 0.00 0.50 0.00 0.00 46.19 44.39 3dge s LEU 6 CO -0.02 0.07 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.83 3dge s LEU 7 N 0.87 3.41 -0.32 -0.68 0.20 -0.51 -0.58 118.68 121.08 3dge s LEU 7 Ca 0.11 -0.92 -0.05 0.00 0.69 0.00 0.00 54.13 53.95 3dge s LEU 7 Cb -0.13 -1.70 0.04 0.00 -0.43 0.00 0.00 46.19 43.96 3dge s LEU 7 CO 0.03 -0.16 0.07 -0.69 -0.29 0.00 0.00 176.35 175.31 3dge s VAL 8 N 1.34 3.61 -0.28 1.68 1.01 0.33 -1.82 120.40 126.26 3dge s VAL 8 Ca -0.00 -1.10 -0.16 0.00 0.00 0.00 0.00 61.98 60.72 3dge s VAL 8 Cb -0.17 -3.01 0.09 0.00 0.00 0.00 0.00 36.38 33.29 3dge s VAL 8 CO -0.03 -0.10 0.72 -0.62 0.00 0.00 0.00 175.10 175.07 3dge s ASP 9 N 1.39 -0.92 0.00 3.32 -1.08 -0.79 -2.44 116.67 116.15 3dge s ASP 9 Ca -0.02 1.45 0.12 0.00 -0.52 0.00 0.00 52.55 53.58 3dge s ASP 9 Cb -0.19 1.44 0.73 0.00 -1.46 0.00 0.00 42.92 43.44 3dge s ASP 9 CO 0.02 -0.23 1.16 -0.90 0.52 0.00 0.00 175.17 175.74 3dge n ASP 10 N 4.34 0.00 -4.48 -0.34 5.75 -1.23 -4.38 116.55 116.22 3dge n ASP 10 Ca -0.19 -0.57 -0.43 0.00 -0.01 0.00 0.00 54.79 53.59 3dge n ASP 10 Cb 0.58 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.59 3dge n ASP 10 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3dge s SER 11 N -1.91 6.20 0.11 -1.12 0.15 -1.26 -4.94 113.70 110.92 3dge s SER 11 Ca 0.18 -0.72 -0.31 0.00 0.70 0.00 0.00 55.95 55.80 3dge s SER 11 Cb 0.08 -2.23 -0.11 0.00 -1.71 0.00 0.00 66.02 62.05 3dge s SER 11 CO 0.14 -0.62 1.60 0.00 1.20 0.00 0.00 173.24 175.56 3dge h ALA 12 N 8.76 -0.75 -0.91 5.45 0.00 -1.99 0.15 119.26 129.96 3dge h ALA 12 Ca -0.27 -0.09 0.19 0.00 0.00 0.00 0.00 54.91 54.74 3dge h ALA 12 Cb 1.11 0.63 -0.11 0.00 0.00 0.00 0.00 17.79 19.42 3dge h ALA 12 CO 0.82 -0.98 0.48 0.28 0.00 0.00 0.00 179.25 179.85 3dge h VAL 13 N -0.69 0.64 0.00 0.00 2.07 -1.98 -0.51 116.25 115.78 3dge h VAL 13 Ca 0.00 -0.20 -0.17 0.00 0.82 0.00 0.00 66.70 67.15 3dge h VAL 13 Cb 0.68 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3dge h VAL 13 CO -0.17 0.11 -0.85 0.25 0.02 0.00 0.00 177.57 176.92 3dge h LEU 14 N 0.59 0.00 -0.11 2.57 5.85 -1.89 -3.06 115.31 119.27 3dge h LEU 14 Ca 0.54 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.25 3dge h LEU 14 Cb 0.88 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 3dge h LEU 14 CO -0.42 0.82 0.04 0.03 -0.34 0.00 0.00 178.44 178.56 3dge h ARG 15 N 0.00 0.17 -0.93 1.25 3.08 0.32 -2.14 114.38 116.12 3dge h ARG 15 Ca -0.02 -0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.16 3dge h ARG 15 Cb 1.64 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 31.59 3dge h ARG 15 CO 0.10 0.30 0.59 -0.22 -1.07 0.00 0.00 179.97 179.68 3dge h LYS 16 N -0.00 0.66 0.01 0.04 3.64 -1.08 0.22 116.57 120.06 3dge h LYS 16 Ca 0.04 -0.04 -0.27 0.00 -1.27 0.00 0.00 60.65 59.11 3dge h LYS 16 Cb 0.20 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 3dge h LYS 16 CO -0.00 0.44 -1.49 0.97 -2.27 0.00 0.00 179.45 177.09 3dge h ILE 17 N 0.68 1.12 -0.20 2.00 6.09 -1.44 -1.93 117.51 123.82 3dge h ILE 17 Ca 0.49 -2.92 -0.06 0.00 -1.37 0.00 0.00 64.86 60.99 3dge h ILE 17 Cb 0.83 2.57 -0.00 0.00 0.47 0.00 0.00 36.82 40.68 3dge h ILE 17 CO -0.24 0.66 -0.12 0.58 -3.07 0.00 0.00 178.15 175.95 3dge h VAL 18 N 0.01 1.31 0.37 2.19 2.07 -0.74 -2.52 116.25 118.94 3dge h VAL 18 Ca -0.20 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.10 3dge h VAL 18 Cb 1.94 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 33.35 3dge h VAL 18 CO 0.10 0.37 -0.36 -1.28 0.02 0.00 0.00 177.57 176.41 3dge h SER 19 N 0.14 -0.98 -0.65 0.57 0.87 -0.66 0.31 113.55 113.15 3dge h SER 19 Ca 0.04 0.08 0.11 0.00 -1.23 0.00 0.00 61.79 60.80 3dge h SER 19 Cb 0.62 0.33 -0.12 0.00 -0.44 0.00 0.00 62.40 62.79 3dge h SER 19 CO 0.03 -0.51 -0.34 0.15 -0.53 0.00 0.00 176.83 175.63 3dge h PHE 20 N -0.75 -0.95 -0.90 2.24 3.57 -1.39 0.18 116.94 118.93 3dge h PHE 20 Ca -0.03 0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3dge h PHE 20 Cb 0.68 0.51 -0.04 0.00 2.79 0.00 0.00 35.95 39.88 3dge h PHE 20 CO -0.20 -0.39 0.59 -0.91 -2.23 0.00 0.00 178.31 175.17 3dge h ASN 21 N -0.14 1.04 0.71 0.41 2.35 -0.96 -0.85 115.58 118.13 3dge h ASN 21 Ca 0.25 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3dge h ASN 21 Cb 0.56 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.68 3dge h ASN 21 CO -0.73 0.76 -0.34 -0.07 -1.65 0.00 0.00 177.43 175.40 3dge h LEU 22 N 1.22 -0.80 -2.29 1.61 4.07 0.13 -2.84 115.31 116.40 3dge h LEU 22 Ca 0.33 0.02 0.03 0.00 0.08 0.00 0.00 57.88 58.34 3dge h LEU 22 Cb -0.13 0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.81 3dge h LEU 22 CO -0.07 -0.55 0.13 0.11 -1.08 0.00 0.00 178.44 176.98 3dge h LYS 23 N -0.99 0.00 0.00 1.13 1.57 -0.65 -0.91 116.57 116.73 3dge h LYS 23 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3dge h LYS 23 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3dge h LYS 23 CO 0.16 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.21 3dge n LYS 24 N -3.86 0.00 0.00 3.15 4.81 -0.33 -1.51 118.16 120.42 3dge n LYS 24 Ca -0.00 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 3dge n LYS 24 Cb 0.24 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 33.78 3dge n LYS 24 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3dge n GLU 25 N -1.33 5.99 0.00 1.64 -0.58 -0.35 -5.02 120.64 121.00 3dge n GLU 25 Ca 0.00 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3dge n GLU 25 Cb 0.00 -0.58 0.00 0.00 -0.57 0.00 0.00 31.44 30.30 3dge n GLU 25 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dge n GLY 26 N 0.90 3.32 2.78 0.62 0.00 -0.57 -3.88 105.19 108.36 3dge n GLY 26 Ca 0.00 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 3dge n GLY 26 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dge n TYR 27 N 0.00 -0.27 -3.61 1.61 4.01 -1.24 -4.79 117.16 112.86 3dge n TYR 27 Ca 0.00 0.80 -0.26 0.00 -0.16 0.00 0.00 57.90 58.28 3dge n TYR 27 Cb 0.00 -1.61 -0.03 0.00 -0.31 0.00 0.00 39.34 37.39 3dge n TYR 27 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3dge s GLU 28 N -0.70 3.52 -0.01 -0.72 2.56 -0.91 -3.82 118.70 118.62 3dge s GLU 28 Ca 0.55 -0.35 0.01 0.00 0.00 0.00 0.00 54.97 55.19 3dge s GLU 28 Cb -0.80 -2.78 -0.00 0.00 2.00 0.00 0.00 34.13 32.55 3dge s GLU 28 CO 0.46 0.33 -0.05 0.14 -0.56 0.00 0.00 175.26 175.58 3dge s VAL 29 N -2.00 0.39 -0.22 3.70 -7.23 -1.25 0.10 120.40 113.88 3dge s VAL 29 Ca 0.39 -0.20 -0.01 0.00 -1.81 0.00 0.00 61.98 60.35 3dge s VAL 29 Cb -0.10 -0.34 0.02 0.00 0.56 0.00 0.00 36.38 36.52 3dge s VAL 29 CO 0.31 0.12 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.48 3dge s ILE 30 N -0.04 2.73 0.70 -0.62 1.09 0.25 -4.95 121.20 120.36 3dge s ILE 30 Ca 0.01 -0.91 -0.11 0.00 -1.10 0.00 0.00 60.65 58.54 3dge s ILE 30 Cb -0.03 -2.30 0.01 0.00 -1.06 0.00 0.00 42.46 39.08 3dge s ILE 30 CO -0.00 0.34 1.08 -1.61 -0.10 0.00 0.00 174.94 174.64 3dge s GLU 31 N 1.34 2.91 -0.30 2.79 2.02 -1.26 -1.42 118.70 124.78 3dge s GLU 31 Ca 0.02 0.61 -0.03 0.00 0.02 0.00 0.00 54.97 55.59 3dge s GLU 31 Cb -0.15 -2.01 0.18 0.00 0.10 0.00 0.00 34.13 32.24 3dge s GLU 31 CO -0.07 -1.03 0.64 0.00 0.02 0.00 0.00 175.26 174.82 3dge s ALA 32 N -3.25 -2.31 -0.46 5.21 0.00 -0.76 -4.85 121.76 115.34 3dge s ALA 32 Ca 0.58 1.89 0.26 0.00 0.00 0.00 0.00 51.96 54.69 3dge s ALA 32 Cb -0.12 -2.14 0.90 0.00 0.00 0.00 0.00 23.12 21.76 3dge s ALA 32 CO 0.53 -1.28 1.77 1.49 0.00 0.00 0.00 175.76 178.27 3dge h GLU 33 N 7.99 0.00 0.00 0.00 4.81 -1.86 -2.10 114.58 123.42 3dge h GLU 33 Ca -0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3dge h GLU 33 Cb 1.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3dge h GLU 33 CO 0.22 0.00 0.17 0.27 -0.73 0.00 0.00 179.01 178.94 3dge n ASN 34 N -2.52 -1.11 0.19 1.04 0.23 -1.26 -3.50 115.26 108.31 3dge n ASN 34 Ca 0.03 -1.74 -0.14 0.00 -0.53 0.00 0.00 54.58 52.20 3dge n ASN 34 Cb 0.35 1.85 -0.07 0.00 -2.08 0.00 0.00 39.78 39.83 3dge n ASN 34 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3dge h GLY 35 N 1.00 -0.48 -0.07 4.83 0.00 -1.85 0.13 103.07 106.63 3dge h GLY 35 Ca -0.16 0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.41 3dge h GLY 35 CO 0.21 -0.19 -0.51 1.46 0.00 0.00 0.00 176.54 177.51 3dge h GLN 36 N -0.47 -0.55 -0.72 4.80 4.20 -1.91 -1.41 115.11 119.05 3dge h GLN 36 Ca -0.03 0.04 0.10 0.00 0.06 0.00 0.00 58.65 58.82 3dge h GLN 36 Cb 0.39 0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.23 3dge h GLN 36 CO 0.02 -0.37 0.35 0.82 -0.67 0.00 0.00 178.83 178.99 3dge h ILE 37 N -0.57 0.84 -1.11 2.54 1.08 -1.95 -0.76 117.51 117.57 3dge h ILE 37 Ca 0.04 -0.20 0.31 0.00 -0.39 0.00 0.00 64.86 64.62 3dge h ILE 37 Cb 0.68 0.19 -0.07 0.00 -3.07 0.00 0.00 36.82 34.55 3dge h ILE 37 CO -0.42 0.11 0.77 0.00 -0.69 0.00 0.00 178.15 177.92 3dge h ALA 38 N 1.44 2.77 0.06 1.87 0.00 0.34 0.31 119.26 126.04 3dge h ALA 38 Ca 0.35 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.89 3dge h ALA 38 Cb 0.38 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3dge h ALA 38 CO -0.28 -1.13 -2.24 1.28 0.00 0.00 0.00 179.25 176.88 3dge n LEU 39 N -4.36 2.73 -0.00 0.00 4.77 -0.35 -3.73 117.00 116.07 3dge n LEU 39 Ca 0.25 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3dge n LEU 39 Cb 1.09 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3dge n LEU 39 CO 0.34 0.88 0.38 -1.84 -1.33 0.00 0.00 177.39 175.83 3dge n GLU 40 N -3.35 0.77 -0.11 3.23 0.28 -0.87 -0.39 120.64 120.20 3dge n GLU 40 Ca -0.39 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 56.65 3dge n GLU 40 Cb 1.02 -1.00 0.09 0.00 1.43 0.00 0.00 31.44 32.98 3dge n GLU 40 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3dge n LYS 41 N -0.50 2.92 -0.00 3.44 5.02 0.05 -4.71 118.16 124.38 3dge n LYS 41 Ca 0.00 -1.84 -0.00 0.00 -2.02 0.00 0.00 58.31 54.45 3dge n LYS 41 Cb 0.00 -1.17 -0.00 0.00 -0.02 0.00 0.00 35.03 33.84 3dge n LYS 41 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3dge n LEU 42 N 0.08 0.00 0.29 -0.35 4.77 0.48 -4.37 117.00 117.90 3dge n LEU 42 Ca 0.07 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.23 3dge n LEU 42 Cb 0.36 0.01 0.88 0.00 -2.33 0.00 0.00 43.42 42.34 3dge n LEU 42 CO 0.05 0.01 1.05 0.77 -1.33 0.00 0.00 177.39 177.94 3dge h SER 43 N 0.00 0.00 0.19 -1.43 4.64 -1.70 -3.12 113.55 112.13 3dge h SER 43 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3dge h SER 43 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3dge h SER 43 CO 0.00 0.04 -0.09 -0.33 -0.87 0.00 0.00 176.83 175.58 3dge h GLU 44 N 0.00 -0.24 -3.78 4.77 4.39 -1.85 -3.49 114.58 114.38 3dge h GLU 44 Ca -0.00 0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.55 3dge h GLU 44 Cb 0.28 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.92 3dge h GLU 44 CO 0.01 0.12 -0.08 -0.59 -1.16 0.00 0.00 179.01 177.30 3dge s PHE 45 N -4.44 0.69 -0.21 4.33 -0.71 -1.18 -5.16 117.98 111.31 3dge s PHE 45 Ca -0.14 -1.05 -0.02 0.00 -1.04 0.00 0.00 56.93 54.68 3dge s PHE 45 Cb 0.02 0.17 0.00 0.00 -1.21 0.00 0.00 43.02 42.00 3dge s PHE 45 CO 0.57 -1.18 -0.09 0.95 -1.34 0.00 0.00 175.22 174.14 3dge s THR 46 N -3.17 2.99 0.56 -4.49 -4.23 -1.26 -4.65 115.64 101.38 3dge s THR 46 Ca 0.25 -0.64 -0.16 0.00 -1.18 0.00 0.00 61.69 59.97 3dge s THR 46 Cb -0.01 -2.34 -0.06 0.00 1.34 0.00 0.00 72.50 71.43 3dge s THR 46 CO 0.16 0.45 1.02 -2.84 -0.54 0.00 0.00 174.62 172.86 3dge s PRO 47 N 1.42 3.66 0.13 3.99 0.02 -1.26 -4.99 135.00 137.97 3dge s PRO 47 Ca 0.05 1.03 0.24 0.00 0.02 0.00 0.00 61.00 62.35 3dge s PRO 47 Cb -0.14 -2.09 0.42 0.00 0.02 0.00 0.00 34.50 32.71 3dge s PRO 47 CO -0.06 -0.52 1.39 -0.25 -0.33 0.00 0.00 177.00 177.23 3dge n ASP 48 N -1.88 0.70 -3.63 2.53 9.92 -1.13 -4.86 116.55 118.21 3dge n ASP 48 Ca 0.07 0.17 -0.11 0.00 -0.53 0.00 0.00 54.79 54.39 3dge n ASP 48 Cb 0.54 0.03 -0.07 0.00 -0.64 0.00 0.00 41.12 40.98 3dge n ASP 48 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3dge s LEU 49 N -4.22 -0.77 -0.09 0.64 2.96 -1.20 -4.42 118.68 111.58 3dge s LEU 49 Ca 0.07 1.40 0.00 0.00 -0.22 0.00 0.00 54.13 55.38 3dge s LEU 49 Cb 0.13 2.38 -0.03 0.00 0.50 0.00 0.00 46.19 49.17 3dge s LEU 49 CO 0.70 -0.23 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.79 3dge s ILE 50 N 0.72 3.59 -0.23 6.68 1.01 -0.80 -1.75 121.20 130.41 3dge s ILE 50 Ca -0.03 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 3dge s ILE 50 Cb -0.05 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 39.95 3dge s ILE 50 CO -0.05 0.57 -0.08 -0.69 0.00 0.00 0.00 174.94 174.69 3dge s VAL 51 N -0.51 2.92 -0.01 2.92 1.01 0.26 -0.79 120.40 126.20 3dge s VAL 51 Ca 0.07 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.27 3dge s VAL 51 Cb -0.12 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 3dge s VAL 51 CO 0.02 0.33 -0.12 -0.22 0.00 0.00 0.00 175.10 175.12 3dge s LEU 52 N 1.38 2.02 0.43 3.92 2.96 0.37 0.12 118.68 129.87 3dge s LEU 52 Ca 0.03 -0.21 0.07 0.00 -0.22 0.00 0.00 54.13 53.80 3dge s LEU 52 Cb -0.15 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.91 3dge s LEU 52 CO -0.05 0.14 0.30 1.51 -1.32 0.00 0.00 176.35 176.92 3dge s ASP 53 N -0.26 4.75 -0.15 3.68 1.47 -1.02 0.17 116.67 125.31 3dge s ASP 53 Ca 0.04 -0.93 -0.12 0.00 1.18 0.00 0.00 52.55 52.72 3dge s ASP 53 Cb -0.05 -0.45 -0.07 0.00 -0.34 0.00 0.00 42.92 42.01 3dge s ASP 53 CO -0.00 -0.64 -0.04 0.40 0.68 0.00 0.00 175.17 175.56 3dge h ILE 54 N 1.17 0.27 -3.29 2.11 1.08 -1.93 -3.37 117.51 113.56 3dge h ILE 54 Ca -0.42 -1.33 -0.54 0.00 -0.39 0.00 0.00 64.86 62.18 3dge h ILE 54 Cb 1.26 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 35.63 3dge h ILE 54 CO 0.63 0.09 0.49 -0.04 -0.69 0.00 0.00 178.15 178.63 3dge s MET 55 N -2.22 4.48 -0.07 2.37 -1.94 -1.26 -1.79 119.30 118.87 3dge s MET 55 Ca -0.17 1.51 -0.30 0.00 -1.71 0.00 0.00 55.69 55.03 3dge s MET 55 Cb 0.03 -3.47 0.11 0.00 2.01 0.00 0.00 34.83 33.51 3dge s MET 55 CO 0.31 -0.20 0.91 0.00 -0.01 0.00 0.00 175.02 176.03 3dge s MET 56 N 1.41 0.75 0.06 2.03 0.23 -1.26 -4.69 119.30 117.81 3dge s MET 56 Ca 0.53 -0.07 -0.32 0.00 -1.03 0.00 0.00 55.69 54.79 3dge s MET 56 Cb -0.22 0.35 -0.17 0.00 -1.53 0.00 0.00 34.83 33.25 3dge s MET 56 CO 0.25 -0.29 1.49 -1.35 -2.03 0.00 0.00 175.02 173.09 3dge h PRO 57 N 2.31 -1.07 0.02 3.16 0.11 -1.96 -3.34 132.00 131.23 3dge h PRO 57 Ca -0.21 0.07 -0.22 0.00 0.11 0.00 0.00 66.00 65.75 3dge h PRO 57 Cb 1.20 0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.55 3dge h PRO 57 CO 0.32 -0.71 -0.95 0.28 -0.21 0.00 0.00 178.00 176.72 3dge h VAL 58 N -1.11 1.45 -1.77 3.15 2.07 -1.99 -3.46 116.25 114.59 3dge h VAL 58 Ca -0.11 -2.58 0.06 0.00 0.82 0.00 0.00 66.70 64.89 3dge h VAL 58 Cb 0.87 2.49 -0.24 0.00 -1.52 0.00 0.00 31.29 32.89 3dge h VAL 58 CO 0.14 0.76 0.22 -0.32 0.02 0.00 0.00 177.57 178.40 3dge s MET 59 N -3.18 0.56 0.70 1.57 -2.45 -1.25 -4.92 119.30 110.33 3dge s MET 59 Ca -0.05 0.91 -0.09 0.00 -1.25 0.00 0.00 55.69 55.22 3dge s MET 59 Cb 0.09 0.14 0.04 0.00 1.25 0.00 0.00 34.83 36.36 3dge s MET 59 CO 0.85 -0.11 1.04 0.16 1.05 0.00 0.00 175.02 178.02 3dge s ASP 60 N 1.28 5.10 0.05 1.11 -4.77 -1.26 -3.09 116.67 115.10 3dge s ASP 60 Ca -0.08 0.76 0.27 0.00 -3.30 0.00 0.00 52.55 50.21 3dge s ASP 60 Cb -0.04 -1.50 0.91 0.00 -1.09 0.00 0.00 42.92 41.20 3dge s ASP 60 CO -0.15 -1.47 1.73 0.61 0.70 0.00 0.00 175.17 176.60 3dge n GLY 61 N -2.95 -1.48 0.24 2.12 0.00 -0.74 -2.92 105.19 99.47 3dge n GLY 61 Ca 0.07 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 3dge n GLY 61 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3dge h PHE 62 N 0.00 0.86 0.48 1.61 0.05 -1.86 -2.00 116.94 116.08 3dge h PHE 62 Ca 0.00 -0.13 -0.02 0.00 3.82 0.00 0.00 57.97 61.64 3dge h PHE 62 Cb 0.57 -0.23 0.00 0.00 2.00 0.00 0.00 35.95 38.29 3dge h PHE 62 CO 0.00 0.81 -0.23 1.79 -0.18 0.00 0.00 178.31 180.50 3dge h THR 63 N 0.66 0.00 -0.75 -1.55 1.35 -1.93 -2.41 112.91 108.28 3dge h THR 63 Ca 0.14 -0.15 0.20 0.00 -0.55 0.00 0.00 66.41 66.06 3dge h THR 63 Cb 0.43 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 66.71 3dge h THR 63 CO 0.01 0.00 0.01 0.52 -0.25 0.00 0.00 175.52 175.81 3dge n VAL 64 N -4.15 -0.31 -0.16 6.82 0.31 -1.15 0.21 118.33 119.91 3dge n VAL 64 Ca -0.08 1.65 -0.07 0.00 -0.01 0.00 0.00 64.34 65.82 3dge n VAL 64 Cb 0.25 -2.40 0.01 0.00 -0.91 0.00 0.00 33.84 30.80 3dge n VAL 64 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3dge h LEU 65 N 0.00 0.55 -0.66 7.52 3.38 -1.26 -2.57 115.31 122.27 3dge h LEU 65 Ca 0.45 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.50 3dge h LEU 65 Cb 0.92 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 3dge h LEU 65 CO -0.71 0.41 0.26 0.50 0.09 0.00 0.00 178.44 179.00 3dge h LYS 66 N 0.64 0.43 -0.04 1.13 3.64 0.30 -2.71 116.57 119.96 3dge h LYS 66 Ca 0.17 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 3dge h LYS 66 Cb -0.06 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3dge h LYS 66 CO -0.04 0.29 -0.55 0.87 -2.27 0.00 0.00 179.45 177.75 3dge h LYS 67 N 0.45 0.12 -0.39 1.90 1.57 -1.01 -2.91 116.57 116.30 3dge h LYS 67 Ca 0.34 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.93 3dge h LYS 67 Cb 0.43 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3dge h LYS 67 CO -0.32 0.64 -0.22 -0.07 -0.57 0.00 0.00 179.45 178.90 3dge h LEU 68 N 0.09 0.79 -1.13 2.94 3.38 -1.20 -2.99 115.31 117.18 3dge h LEU 68 Ca -0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3dge h LEU 68 Cb 1.00 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3dge h LEU 68 CO 0.08 0.98 0.00 1.67 0.09 0.00 0.00 178.44 181.26 3dge n GLN 69 N -4.11 1.72 -0.01 1.13 7.27 -1.11 -1.71 117.38 120.56 3dge n GLN 69 Ca 0.00 -1.08 0.01 0.00 0.07 0.00 0.00 57.00 56.00 3dge n GLN 69 Cb 0.43 -1.25 0.02 0.00 2.41 0.00 0.00 30.24 31.85 3dge n GLN 69 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 3dge n GLU 70 N 0.37 2.68 -4.34 3.69 -0.00 -1.13 -4.93 120.64 116.98 3dge n GLU 70 Ca 0.10 -1.64 -0.23 0.00 -0.00 0.00 0.00 57.16 55.39 3dge n GLU 70 Cb 0.27 -1.06 -0.08 0.00 -0.00 0.00 0.00 31.44 30.56 3dge n GLU 70 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3dge s LYS 71 N -1.25 2.11 -0.10 3.44 -0.14 -1.22 -5.06 119.74 117.52 3dge s LYS 71 Ca 0.05 -1.51 -0.19 0.00 -1.36 0.00 0.00 55.97 52.95 3dge s LYS 71 Cb 0.04 -2.05 -0.28 0.00 -1.68 0.00 0.00 37.83 33.86 3dge s LYS 71 CO 0.00 0.36 0.65 1.49 -0.76 0.00 0.00 175.35 177.09 3dge h GLU 72 N 2.02 0.23 -0.44 1.68 4.57 -1.95 -2.60 114.58 118.09 3dge h GLU 72 Ca -0.43 -0.39 -0.08 0.00 -1.18 0.00 0.00 59.36 57.28 3dge h GLU 72 Cb 1.25 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.97 3dge h GLU 72 CO 0.60 1.19 -0.04 0.93 -1.18 0.00 0.00 179.01 180.50 3dge h GLU 73 N -0.42 0.80 0.12 1.92 3.07 -1.97 -3.28 114.58 114.82 3dge h GLU 73 Ca -0.24 -0.28 -0.28 0.00 -0.50 0.00 0.00 59.36 58.06 3dge h GLU 73 Cb 1.64 -0.06 0.02 0.00 -0.84 0.00 0.00 28.75 29.51 3dge h GLU 73 CO 0.06 0.89 -1.22 -1.49 -1.40 0.00 0.00 179.01 175.85 3dge h TRP 74 N 0.64 0.80 -0.91 4.33 6.55 -1.79 -3.35 115.95 122.22 3dge h TRP 74 Ca 0.12 -0.52 0.37 0.00 0.95 0.00 0.00 58.89 59.80 3dge h TRP 74 Cb 0.56 -0.06 -0.14 0.00 -0.86 0.00 0.00 29.16 28.66 3dge h TRP 74 CO 0.04 1.38 0.52 1.17 -1.05 0.00 0.00 178.44 180.50 3dge n LYS 75 N -3.71 -0.05 0.00 0.49 4.81 -0.69 -0.67 118.16 118.35 3dge n LYS 75 Ca -0.11 1.14 0.12 0.00 -0.87 0.00 0.00 58.31 58.59 3dge n LYS 75 Cb 0.98 -2.09 0.20 0.00 0.02 0.00 0.00 35.03 34.14 3dge n LYS 75 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3dge n ARG 76 N -4.80 0.22 -2.65 1.64 3.00 -1.26 -4.83 116.66 107.99 3dge n ARG 76 Ca 0.33 -0.15 -0.43 0.00 -0.01 0.00 0.00 57.85 57.59 3dge n ARG 76 Cb 1.14 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 32.08 3dge n ARG 76 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 3dge s ILE 77 N -2.88 4.22 0.27 0.55 -4.36 0.16 -4.98 121.20 114.18 3dge s ILE 77 Ca 0.13 1.04 -0.29 0.00 -0.26 0.00 0.00 60.65 61.27 3dge s ILE 77 Cb 0.18 -4.60 -0.09 0.00 1.25 0.00 0.00 42.46 39.19 3dge s ILE 77 CO 0.69 -1.05 1.24 -2.84 0.24 0.00 0.00 174.94 173.22 3dge s PRO 78 N 4.41 4.45 -0.13 0.37 0.02 -1.26 -4.75 135.00 138.12 3dge s PRO 78 Ca 0.44 2.03 -0.01 0.00 0.02 0.00 0.00 61.00 63.49 3dge s PRO 78 Cb -0.08 -3.15 -0.02 0.00 0.02 0.00 0.00 34.50 31.27 3dge s PRO 78 CO 0.29 -0.09 -0.10 0.08 -0.33 0.00 0.00 177.00 176.85 3dge s VAL 79 N -0.71 3.33 -0.23 3.83 1.01 -1.26 -1.91 120.40 124.46 3dge s VAL 79 Ca 0.50 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 3dge s VAL 79 Cb -0.36 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 3dge s VAL 79 CO 0.44 0.53 0.16 -0.63 0.00 0.00 0.00 175.10 175.60 3dge s ILE 80 N 0.19 5.37 -0.16 2.22 1.01 0.03 -1.90 121.20 127.96 3dge s ILE 80 Ca -0.06 0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.69 3dge s ILE 80 Cb -0.15 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 3dge s ILE 80 CO 0.04 0.37 0.17 -0.69 0.00 0.00 0.00 174.94 174.84 3dge s VAL 81 N 0.87 5.40 -0.50 2.92 1.01 0.10 -0.48 120.40 129.72 3dge s VAL 81 Ca 0.08 0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 3dge s VAL 81 Cb -0.13 -3.49 0.13 0.00 0.00 0.00 0.00 36.38 32.89 3dge s VAL 81 CO 0.03 0.49 0.30 -0.76 0.00 0.00 0.00 175.10 175.15 3dge s LEU 82 N -0.07 5.16 0.17 3.92 1.43 0.13 0.11 118.68 129.52 3dge s LEU 82 Ca 0.12 -2.44 0.11 0.00 -1.03 0.00 0.00 54.13 50.89 3dge s LEU 82 Cb -0.12 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3dge s LEU 82 CO 0.01 -0.45 -0.23 0.28 0.23 0.00 0.00 176.35 176.20 3dge s THR 83 N 0.55 2.47 -0.41 5.49 -1.32 -0.67 -4.19 115.64 117.56 3dge s THR 83 Ca 0.12 -1.87 0.25 0.00 -1.21 0.00 0.00 61.69 58.99 3dge s THR 83 Cb -0.22 -2.16 0.27 0.00 -1.51 0.00 0.00 72.50 68.88 3dge s THR 83 CO -0.04 -0.04 1.75 0.00 -2.21 0.00 0.00 174.62 174.08 3dge h ALA 84 N 3.40 1.00 -1.51 11.08 0.00 -1.87 -1.09 119.26 130.26 3dge h ALA 84 Ca -0.48 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 53.82 3dge h ALA 84 Cb 1.19 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 3dge h ALA 84 CO 0.46 0.00 0.91 0.15 0.00 0.00 0.00 179.25 180.77 3dge s LYS 85 N -3.36 3.29 0.00 0.00 3.01 -1.26 -4.77 119.74 116.65 3dge s LYS 85 Ca 0.04 -0.83 0.25 0.00 -1.01 0.00 0.00 55.97 54.42 3dge s LYS 85 Cb 0.09 -4.50 0.56 0.00 -1.01 0.00 0.00 37.83 32.97 3dge s LYS 85 CO 0.42 -1.98 1.44 0.41 0.51 0.00 0.00 175.35 176.15 3dge n GLY 86 N 5.63 -0.91 3.58 -3.33 0.00 -1.26 -4.73 105.19 104.17 3dge n GLY 86 Ca 0.09 -0.40 -0.53 0.00 0.00 0.00 0.00 46.02 45.18 3dge n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dge n GLY 87 N 1.43 0.78 0.14 -0.02 0.00 -1.26 -4.78 105.19 101.46 3dge n GLY 87 Ca 0.08 0.93 0.00 0.00 0.00 0.00 0.00 46.02 47.03 3dge n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dge n GLU 88 N 6.91 0.41 -0.05 1.61 4.71 -1.26 -0.12 120.64 132.85 3dge n GLU 88 Ca 0.33 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.44 3dge n GLU 88 Cb 0.20 -1.06 -0.10 0.00 -1.01 0.00 0.00 31.44 29.47 3dge n GLU 88 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 3dge n GLU 89 N -0.28 1.77 0.04 3.49 0.28 -1.26 -3.82 120.64 120.85 3dge n GLU 89 Ca 0.00 -0.02 0.19 0.00 -0.16 0.00 0.00 57.16 57.17 3dge n GLU 89 Cb 0.03 -1.32 0.70 0.00 1.43 0.00 0.00 31.44 32.28 3dge n GLU 89 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3dge h ASP 90 N 0.00 0.00 0.03 -1.84 3.32 -0.86 0.31 116.42 117.39 3dge h ASP 90 Ca -0.29 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.67 3dge h ASP 90 Cb 1.61 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.17 3dge h ASP 90 CO 0.02 0.00 -0.35 -0.08 -1.72 0.00 0.00 179.24 177.11 3dge h GLU 91 N 0.00 0.17 -0.05 3.56 4.81 -1.73 -2.61 114.58 118.74 3dge h GLU 91 Ca 0.22 -0.23 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3dge h GLU 91 Cb 0.91 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.31 3dge h GLU 91 CO -0.00 1.03 -0.27 0.77 -0.73 0.00 0.00 179.01 179.80 3dge h SER 92 N -0.57 -0.83 -0.98 1.04 0.02 -1.57 -0.29 113.55 110.38 3dge h SER 92 Ca -0.05 0.12 0.23 0.00 -0.84 0.00 0.00 61.79 61.24 3dge h SER 92 Cb 1.18 0.35 -0.08 0.00 0.14 0.00 0.00 62.40 63.98 3dge h SER 92 CO 0.07 -0.33 0.63 0.25 -1.14 0.00 0.00 176.83 176.30 3dge h LEU 93 N -0.39 0.48 -0.07 5.07 5.85 -0.46 -0.91 115.31 124.87 3dge h LEU 93 Ca 0.08 0.07 -0.22 0.00 0.84 0.00 0.00 57.88 58.65 3dge h LEU 93 Cb 0.50 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.53 3dge h LEU 93 CO -0.27 0.15 -0.80 0.00 -0.34 0.00 0.00 178.44 177.19 3dge h ALA 94 N 1.61 0.20 -0.16 1.25 0.00 -0.83 -1.90 119.26 119.44 3dge h ALA 94 Ca 0.54 -0.61 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3dge h ALA 94 Cb 1.27 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3dge h ALA 94 CO -0.25 0.59 -0.13 -0.07 0.00 0.00 0.00 179.25 179.38 3dge h LEU 95 N 0.33 0.38 -0.98 0.00 3.38 0.12 -1.74 115.31 116.81 3dge h LEU 95 Ca -0.08 -0.46 0.02 0.00 0.09 0.00 0.00 57.88 57.45 3dge h LEU 95 Cb 1.45 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 42.04 3dge h LEU 95 CO 0.16 0.77 0.65 0.77 0.09 0.00 0.00 178.44 180.87 3dge h SER 96 N 0.01 1.11 0.00 -0.43 4.64 -1.32 -0.65 113.55 116.92 3dge h SER 96 Ca 0.03 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dge h SER 96 Cb 0.65 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3dge h SER 96 CO 0.03 0.79 0.00 -0.11 -0.87 0.00 0.00 176.83 176.68 3dge n LEU 97 N -4.42 0.00 0.00 5.97 7.94 -0.71 -4.84 117.00 120.94 3dge n LEU 97 Ca 0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 3dge n LEU 97 Cb 0.03 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.98 3dge n LEU 97 CO 0.36 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.25 3dge n GLY 98 N 0.26 1.28 3.75 -3.96 0.00 -0.25 -3.78 105.19 102.50 3dge n GLY 98 Ca 0.10 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3dge n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dge s ALA 99 N -0.59 3.72 0.16 4.61 0.00 -0.69 -4.85 121.76 124.11 3dge s ALA 99 Ca 0.00 1.52 0.19 0.00 0.00 0.00 0.00 51.96 53.67 3dge s ALA 99 Cb 0.00 -3.63 0.65 0.00 0.00 0.00 0.00 23.12 20.14 3dge s ALA 99 CO 0.00 -0.93 1.72 0.00 0.00 0.00 0.00 175.76 176.55 3dge h ARG 100 N 4.91 0.00 -2.57 0.00 3.08 -1.70 -3.39 114.38 114.71 3dge h ARG 100 Ca -0.47 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.48 3dge h ARG 100 Cb 1.22 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 31.04 3dge h ARG 100 CO 0.79 0.38 -0.14 0.21 -1.07 0.00 0.00 179.97 180.14 3dge s LYS 101 N -3.58 0.59 -0.12 0.04 2.47 -0.95 -5.01 119.74 113.17 3dge s LYS 101 Ca 0.00 0.61 0.02 0.00 -1.56 0.00 0.00 55.97 55.05 3dge s LYS 101 Cb 0.11 0.28 -0.00 0.00 -1.46 0.00 0.00 37.83 36.76 3dge s LYS 101 CO 0.69 -0.08 -0.20 0.08 0.16 0.00 0.00 175.35 175.99 3dge s VAL 102 N 0.12 2.36 -0.16 4.02 1.01 -1.26 -0.72 120.40 125.76 3dge s VAL 102 Ca -0.01 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.07 3dge s VAL 102 Cb -0.03 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.41 3dge s VAL 102 CO 0.01 0.54 -0.17 -0.04 0.00 0.00 0.00 175.10 175.45 3dge s MET 103 N 0.48 3.14 0.40 2.72 -1.94 0.29 -4.95 119.30 119.45 3dge s MET 103 Ca -0.14 -0.78 -0.26 0.00 -1.71 0.00 0.00 55.69 52.81 3dge s MET 103 Cb -0.17 -2.61 -0.09 0.00 2.01 0.00 0.00 34.83 33.98 3dge s MET 103 CO 0.05 -0.05 1.26 0.50 -0.01 0.00 0.00 175.02 176.77 3dge s ARG 104 N 0.97 4.00 -0.14 2.03 3.52 -1.26 -1.67 118.95 126.41 3dge s ARG 104 Ca -0.03 2.05 -0.04 0.00 -0.13 0.00 0.00 55.73 57.59 3dge s ARG 104 Cb -0.15 -2.74 -0.03 0.00 -1.56 0.00 0.00 34.95 30.47 3dge s ARG 104 CO -0.03 -0.43 -0.01 0.15 -0.81 0.00 0.00 175.30 174.17 3dge s LYS 105 N -2.24 3.49 0.55 5.12 1.02 -0.41 -3.46 119.74 123.80 3dge s LYS 105 Ca 0.57 -0.46 -0.19 0.00 0.02 0.00 0.00 55.97 55.91 3dge s LYS 105 Cb -0.36 -2.92 -0.05 0.00 -0.52 0.00 0.00 37.83 33.98 3dge s LYS 105 CO 0.46 0.40 1.14 -2.14 -0.92 0.00 0.00 175.35 174.29 3dge s PRO 106 N -0.06 3.30 0.20 -1.68 0.02 -1.26 -4.58 135.00 130.94 3dge s PRO 106 Ca 0.03 1.64 0.09 0.00 0.02 0.00 0.00 61.00 62.77 3dge s PRO 106 Cb -0.13 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 3dge s PRO 106 CO 0.02 -0.90 -0.17 -0.59 -0.33 0.00 0.00 177.00 175.04 3dge s PHE 107 N -1.76 1.84 -0.25 6.54 -0.12 -1.22 -5.11 117.98 117.90 3dge s PHE 107 Ca 0.73 -0.49 -0.21 0.00 -0.05 0.00 0.00 56.93 56.92 3dge s PHE 107 Cb -0.25 -0.87 -0.02 0.00 -0.63 0.00 0.00 43.02 41.25 3dge s PHE 107 CO 0.28 0.40 0.64 0.45 -0.05 0.00 0.00 175.22 176.94 3dge s SER 108 N -3.05 6.60 0.47 1.98 0.15 -1.26 -4.95 113.70 113.63 3dge s SER 108 Ca 0.21 0.73 0.21 0.00 0.70 0.00 0.00 55.95 57.80 3dge s SER 108 Cb -0.04 -2.34 1.21 0.00 -1.71 0.00 0.00 66.02 63.14 3dge s SER 108 CO 0.08 -0.38 1.91 -0.65 1.20 0.00 0.00 173.24 175.40 3dge h PRO 109 N 7.88 0.25 -0.09 5.44 0.11 -1.99 -0.93 132.00 142.67 3dge h PRO 109 Ca -0.26 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 3dge h PRO 109 Cb 1.12 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3dge h PRO 109 CO 0.78 0.16 -0.08 0.66 -0.21 0.00 0.00 178.00 179.31 3dge h SER 110 N 0.26 0.22 -0.91 -2.05 4.64 -2.00 -2.07 113.55 111.64 3dge h SER 110 Ca 0.38 -0.48 0.04 0.00 -0.47 0.00 0.00 61.79 61.27 3dge h SER 110 Cb 1.11 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 63.08 3dge h SER 110 CO -0.09 0.65 0.59 1.56 -0.87 0.00 0.00 176.83 178.67 3dge h GLN 111 N -0.20 1.09 -0.02 4.77 4.20 -1.82 0.80 115.11 123.92 3dge h GLN 111 Ca 0.01 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.68 3dge h GLN 111 Cb 0.59 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 3dge h GLN 111 CO 0.02 0.72 -0.13 0.35 -0.67 0.00 0.00 178.83 179.12 3dge h PHE 112 N 1.12 -0.34 -0.30 2.96 3.57 -0.93 0.51 116.94 123.53 3dge h PHE 112 Ca 0.37 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.90 3dge h PHE 112 Cb 0.05 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3dge h PHE 112 CO -0.02 -0.20 0.16 0.82 -2.23 0.00 0.00 178.31 176.85 3dge h ILE 113 N -0.21 1.01 -0.51 1.41 1.08 -0.89 0.28 117.51 119.67 3dge h ILE 113 Ca 0.05 -0.11 0.15 0.00 -0.39 0.00 0.00 64.86 64.56 3dge h ILE 113 Cb 0.28 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 3dge h ILE 113 CO -0.15 0.06 0.38 -0.08 -0.69 0.00 0.00 178.15 177.67 3dge h GLU 114 N 0.33 0.00 0.04 2.37 4.81 0.86 0.94 114.58 123.94 3dge h GLU 114 Ca 0.12 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.21 3dge h GLU 114 Cb 0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3dge h GLU 114 CO -0.07 0.00 -0.73 1.49 -0.73 0.00 0.00 179.01 178.97 3dge h GLU 115 N 0.00 0.08 -0.97 1.92 4.57 0.49 -3.01 114.58 117.66 3dge h GLU 115 Ca 0.24 -0.14 0.12 0.00 -1.18 0.00 0.00 59.36 58.41 3dge h GLU 115 Cb 1.00 0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 29.56 3dge h GLU 115 CO -0.00 1.07 0.62 0.28 -1.18 0.00 0.00 179.01 179.79 3dge h VAL 116 N -0.80 0.92 0.77 0.32 2.07 0.17 -1.34 116.25 118.36 3dge h VAL 116 Ca -0.18 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 3dge h VAL 116 Cb 1.31 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3dge h VAL 116 CO -0.03 0.17 -0.41 0.50 0.02 0.00 0.00 177.57 177.82 3dge h LYS 117 N 0.94 -1.05 -1.08 1.57 3.64 0.69 -1.69 116.57 119.59 3dge h LYS 117 Ca 0.48 0.07 0.29 0.00 -1.27 0.00 0.00 60.65 60.22 3dge h LYS 117 Cb 0.50 0.24 -0.11 0.00 -0.41 0.00 0.00 32.23 32.45 3dge h LYS 117 CO -0.24 -0.70 0.68 1.25 -2.27 0.00 0.00 179.45 178.17 3dge h HIS 118 N -1.09 0.70 0.00 1.91 2.76 -1.12 0.35 115.15 118.66 3dge h HIS 118 Ca -0.10 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 57.98 3dge h HIS 118 Cb 0.86 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.60 3dge h HIS 118 CO -0.05 0.00 -0.72 -0.07 -1.30 0.00 0.00 177.93 175.79 3dge h LEU 119 N 0.36 0.00 -0.04 0.26 3.38 -1.22 -3.28 115.31 114.76 3dge h LEU 119 Ca 0.65 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.48 3dge h LEU 119 Cb 1.65 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.38 3dge h LEU 119 CO -0.36 0.47 -0.63 -0.07 0.09 0.00 0.00 178.44 177.94 3dge h LEU 120 N 0.00 0.00 -4.53 1.67 3.38 0.59 -3.22 115.31 113.20 3dge h LEU 120 Ca -0.04 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.21 3dge h LEU 120 Cb 1.39 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.86 3dge h LEU 120 CO 0.05 0.63 0.88 -0.46 0.09 0.00 0.00 178.44 179.63 3dge n ASN 121 N -3.27 7.45 0.00 -0.43 2.04 -0.23 -5.09 115.26 115.72 3dge n ASN 121 Ca 0.01 -3.81 0.09 0.00 -0.44 0.00 0.00 54.58 50.43 3dge n ASN 121 Cb 0.78 -0.99 0.52 0.00 -2.53 0.00 0.00 39.78 37.56 3dge n ASN 121 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03