#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dde h ILE 3 N 0.00 0.21 -3.21 2.46 2.10 -1.86 -3.46 117.51 113.75 3dde h ILE 3 Ca 0.00 -1.36 -0.58 0.00 1.08 0.00 0.00 64.86 64.00 3dde h ILE 3 Cb 0.00 1.83 -0.05 0.00 -1.09 0.00 0.00 36.82 37.51 3dde h ILE 3 CO 0.00 0.12 -0.06 -0.51 -1.08 0.00 0.00 178.15 176.62 3dde s ILE 4 N -3.19 4.79 -0.41 2.19 2.07 -1.26 -5.03 121.20 120.35 3dde s ILE 4 Ca 0.01 1.17 -0.05 0.00 -1.41 0.00 0.00 60.65 60.37 3dde s ILE 4 Cb 0.08 -3.87 0.10 0.00 0.13 0.00 0.00 42.46 38.90 3dde s ILE 4 CO 0.76 0.55 0.22 -0.62 -1.91 0.00 0.00 174.94 173.95 3dde s ASP 5 N -1.04 5.36 0.52 4.50 2.15 -1.26 -4.97 116.67 121.92 3dde s ASP 5 Ca 0.28 -1.90 0.33 0.00 0.43 0.00 0.00 52.55 51.69 3dde s ASP 5 Cb -0.19 -1.87 1.36 0.00 -0.30 0.00 0.00 42.92 41.92 3dde s ASP 5 CO 0.18 -0.55 1.97 -0.07 -0.17 0.00 0.00 175.17 176.52 3dde h LEU 6 N 8.16 0.00 -0.83 -1.34 3.38 -2.00 -2.37 115.31 120.32 3dde h LEU 6 Ca -0.16 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 3dde h LEU 6 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3dde h LEU 6 CO 0.72 0.00 -0.42 0.71 0.09 0.00 0.00 178.44 179.54 3dde h THR 7 N 0.00 1.31 -0.37 0.22 1.35 -1.98 -0.16 112.91 113.28 3dde h THR 7 Ca 0.00 -1.57 -0.09 0.00 -0.55 0.00 0.00 66.41 64.20 3dde h THR 7 Cb 0.47 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 3dde h THR 7 CO 0.00 0.48 -0.11 0.11 -0.25 0.00 0.00 175.52 175.75 3dde h LYS 8 N 0.29 0.72 -0.26 4.72 6.56 -1.86 -1.28 116.57 125.47 3dde h LYS 8 Ca 0.02 -0.29 -0.03 0.00 -1.06 0.00 0.00 60.65 59.30 3dde h LYS 8 Cb 0.87 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.48 3dde h LYS 8 CO 0.07 0.89 0.05 -0.07 -2.06 0.00 0.00 179.45 178.33 3dde h LEU 9 N 0.52 0.40 -0.96 2.94 4.07 -1.44 -2.33 115.31 118.50 3dde h LEU 9 Ca 0.09 -0.25 0.16 0.00 0.08 0.00 0.00 57.88 57.97 3dde h LEU 9 Cb 0.63 -0.11 -0.10 0.00 1.08 0.00 0.00 40.66 42.17 3dde h LEU 9 CO 0.04 0.54 0.57 -0.08 -1.08 0.00 0.00 178.44 178.43 3dde h GLU 10 N 0.24 0.76 -0.55 1.13 4.57 -0.96 -0.77 114.58 118.99 3dde h GLU 10 Ca 0.08 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 58.11 3dde h GLU 10 Cb 0.31 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 3dde h GLU 10 CO 0.00 0.50 -0.07 1.96 -1.18 0.00 0.00 179.01 180.23 3dde h GLN 11 N 0.78 1.01 -0.43 1.92 7.50 -0.94 -1.39 115.11 123.57 3dde h GLN 11 Ca 0.53 -0.35 -0.08 0.00 0.50 0.00 0.00 58.65 59.25 3dde h GLN 11 Cb 0.74 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 28.18 3dde h GLN 11 CO -0.35 1.03 -0.05 0.87 -1.50 0.00 0.00 178.83 178.83 3dde h LYS 12 N 0.91 0.79 -0.46 1.46 1.57 -0.72 -2.33 116.57 117.80 3dde h LYS 12 Ca 0.15 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 3dde h LYS 12 Cb 0.62 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3dde h LYS 12 CO 0.04 0.89 0.21 0.28 -0.57 0.00 0.00 179.45 180.29 3dde h VAL 13 N 0.62 1.19 -0.59 0.50 2.07 -1.10 -2.87 116.25 116.07 3dde h VAL 13 Ca 0.11 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3dde h VAL 13 Cb 0.57 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3dde h VAL 13 CO 0.03 0.22 0.31 0.00 0.02 0.00 0.00 177.57 178.15 3dde h ALA 14 N 1.05 1.44 0.00 1.67 0.00 -1.18 -1.22 119.26 121.02 3dde h ALA 14 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3dde h ALA 14 Cb 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3dde h ALA 14 CO -0.02 0.46 0.00 2.41 0.00 0.00 0.00 179.25 182.10 3dde n THR 15 N -4.38 0.14 0.00 0.00 -1.04 -0.88 -2.36 114.28 105.75 3dde n THR 15 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3dde n THR 15 Cb 0.11 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.24 3dde n THR 15 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 3dde n TRP 17 N 0.45 0.00 -0.23 -1.42 7.02 -0.46 -2.77 117.44 120.03 3dde n TRP 17 Ca 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.51 3dde n TRP 17 Cb 0.14 0.00 0.14 0.00 -2.42 0.00 0.00 31.31 29.17 3dde n TRP 17 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 3dde h ASP 18 N 0.00 0.13 -0.15 -0.99 3.58 -1.73 0.14 116.42 117.40 3dde h ASP 18 Ca 0.00 0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.53 3dde h ASP 18 Cb 0.00 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 3dde h ASP 18 CO 0.00 0.05 -0.01 -1.28 -2.88 0.00 0.00 179.24 175.12 3dde h SER 19 N 0.34 0.27 -0.56 2.28 0.87 -1.81 -1.72 113.55 113.22 3dde h SER 19 Ca 0.36 -0.32 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3dde h SER 19 Cb 0.54 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 3dde h SER 19 CO -0.40 0.53 0.36 0.40 -0.53 0.00 0.00 176.83 177.18 3dde h ILE 20 N -0.00 1.11 -0.00 2.23 2.04 -1.69 -0.98 117.51 120.22 3dde h ILE 20 Ca 0.04 -0.25 -0.15 0.00 1.00 0.00 0.00 64.86 65.50 3dde h ILE 20 Cb 0.39 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3dde h ILE 20 CO 0.01 0.13 -0.72 -0.07 0.00 0.00 0.00 178.15 177.50 3dde h LEU 21 N 0.73 0.03 -0.30 1.44 3.38 -0.77 -1.07 115.31 118.75 3dde h LEU 21 Ca 0.21 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.99 3dde h LEU 21 Cb -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3dde h LEU 21 CO -0.07 0.74 -0.80 0.74 0.09 0.00 0.00 178.44 179.15 3dde h THR 22 N 0.02 1.50 0.00 0.22 2.02 -1.07 -3.38 112.91 112.23 3dde h THR 22 Ca -0.01 -2.79 0.00 0.00 0.77 0.00 0.00 66.41 64.38 3dde h THR 22 Cb 1.27 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 70.22 3dde h THR 22 CO 0.10 0.78 -1.51 0.59 0.37 0.00 0.00 175.52 175.85 3dde n ASN 23 N -3.49 1.23 -4.65 4.18 3.02 -0.39 -4.97 115.26 110.19 3dde n ASN 23 Ca -0.00 -0.19 -0.43 0.00 -0.03 0.00 0.00 54.58 53.93 3dde n ASN 23 Cb 0.79 1.57 -0.02 0.00 -0.61 0.00 0.00 39.78 41.51 3dde n ASN 23 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3dde s SER 24 N -3.53 6.84 0.42 6.41 0.15 -0.41 -4.90 113.70 118.67 3dde s SER 24 Ca -0.03 1.58 0.13 0.00 0.70 0.00 0.00 55.95 58.33 3dde s SER 24 Cb 0.10 -2.54 0.89 0.00 -1.71 0.00 0.00 66.02 62.76 3dde s SER 24 CO 0.65 -0.87 1.93 -0.65 1.20 0.00 0.00 173.24 175.50 3dde h PRO 25 N 8.65 0.01 -0.04 5.44 0.11 -1.93 -2.23 132.00 142.01 3dde h PRO 25 Ca -0.27 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.85 3dde h PRO 25 Cb 1.11 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3dde h PRO 25 CO 0.99 0.26 -0.06 0.35 -0.21 0.00 0.00 178.00 179.33 3dde h PHE 26 N 0.01 -0.15 -0.74 0.65 3.57 -1.90 -0.37 116.94 118.01 3dde h PHE 26 Ca -0.00 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 3dde h PHE 26 Cb 0.45 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 3dde h PHE 26 CO 0.00 -0.10 0.27 0.82 -2.23 0.00 0.00 178.31 177.07 3dde h ILE 27 N -0.09 1.25 -0.36 1.41 1.08 -1.81 -2.19 117.51 116.80 3dde h ILE 27 Ca 0.04 -0.84 -0.11 0.00 -0.39 0.00 0.00 64.86 63.56 3dde h ILE 27 Cb 0.15 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.28 3dde h ILE 27 CO -0.10 0.34 -0.19 0.45 -0.69 0.00 0.00 178.15 177.96 3dde h HIS 28 N 1.09 0.89 -0.76 1.37 3.86 -1.23 -1.47 115.15 118.90 3dde h HIS 28 Ca 0.24 -0.23 0.11 0.00 -1.16 0.00 0.00 60.37 59.34 3dde h HIS 28 Cb 0.25 -0.20 -0.08 0.00 1.06 0.00 0.00 27.41 28.44 3dde h HIS 28 CO 0.02 0.97 0.38 1.49 0.86 0.00 0.00 177.93 181.64 3dde h GLU 29 N 0.55 0.59 0.20 2.45 4.57 -0.81 -0.48 114.58 121.64 3dde h GLU 29 Ca 0.08 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 3dde h GLU 29 Cb 0.74 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 3dde h GLU 29 CO 0.06 0.39 -0.09 0.28 -1.18 0.00 0.00 179.01 178.46 3dde h VAL 30 N 0.60 0.90 -0.46 0.32 2.07 -1.20 -0.34 116.25 118.16 3dde h VAL 30 Ca 0.39 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3dde h VAL 30 Cb 0.46 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3dde h VAL 30 CO -0.30 0.15 0.14 -0.07 0.02 0.00 0.00 177.57 177.50 3dde h LEU 31 N -0.60 0.61 0.00 2.57 3.38 -0.95 -3.41 115.31 116.91 3dde h LEU 31 Ca -0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3dde h LEU 31 Cb 0.44 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3dde h LEU 31 CO 0.04 0.59 0.00 -0.67 0.09 0.00 0.00 178.44 178.49 3dde n ASP 32 N -4.33 0.00 0.00 -0.43 2.03 -0.22 -5.01 116.55 108.59 3dde n ASP 32 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 3dde n ASP 32 Cb 0.18 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 3dde n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dde n GLY 33 N 4.15 0.00 3.17 0.27 0.00 -1.13 -4.85 105.19 106.80 3dde n GLY 33 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3dde n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dde s LYS 34 N 0.00 0.05 0.55 1.61 1.02 -0.15 -4.99 119.74 117.82 3dde s LYS 34 Ca 0.00 0.10 -0.19 0.00 0.02 0.00 0.00 55.97 55.90 3dde s LYS 34 Cb 0.00 0.06 -0.05 0.00 -0.52 0.00 0.00 37.83 37.31 3dde s LYS 34 CO 0.00 -0.04 1.10 0.00 -0.92 0.00 0.00 175.35 175.49 3dde s ALA 35 N 2.62 2.71 0.33 5.17 0.00 -1.25 -4.86 121.76 126.49 3dde s ALA 35 Ca -0.05 0.68 0.05 0.00 0.00 0.00 0.00 51.96 52.64 3dde s ALA 35 Cb -0.06 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 3dde s ALA 35 CO -0.11 -0.73 0.04 0.95 0.00 0.00 0.00 175.76 175.91 3dde s THR 36 N -1.98 1.36 0.16 0.00 -4.23 -1.26 -4.73 115.64 104.97 3dde s THR 36 Ca 0.70 -2.01 -0.15 0.00 -1.18 0.00 0.00 61.69 59.04 3dde s THR 36 Cb -0.21 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 70.87 3dde s THR 36 CO 0.28 -0.03 1.80 0.07 -0.54 0.00 0.00 174.62 176.19 3dde h LYS 37 N 2.08 0.46 -0.61 3.99 -0.00 -1.97 -2.13 116.57 118.39 3dde h LYS 37 Ca -0.41 -0.03 0.05 0.00 -0.00 0.00 0.00 60.65 60.26 3dde h LYS 37 Cb 1.24 -0.10 -0.05 0.00 -0.00 0.00 0.00 32.23 33.32 3dde h LYS 37 CO 0.71 0.30 0.33 0.00 -0.00 0.00 0.00 179.45 180.80 3dde h ALA 38 N 1.19 0.80 -0.40 0.07 0.00 -1.97 -0.01 119.26 118.94 3dde h ALA 38 Ca 0.17 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3dde h ALA 38 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3dde h ALA 38 CO -0.09 0.01 0.21 1.25 0.00 0.00 0.00 179.25 180.64 3dde h LEU 39 N 0.63 0.51 -0.69 0.00 5.85 -1.90 -0.79 115.31 118.92 3dde h LEU 39 Ca 0.27 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 3dde h LEU 39 Cb 0.14 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3dde h LEU 39 CO -0.16 0.47 0.23 0.22 -0.34 0.00 0.00 178.44 178.87 3dde h TYR 40 N 0.52 1.10 0.00 1.25 3.20 -0.89 -2.31 116.97 119.83 3dde h TYR 40 Ca 0.14 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 3dde h TYR 40 Cb 0.08 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.03 3dde h TYR 40 CO -0.02 0.87 -0.00 0.00 -1.64 0.00 0.00 178.16 177.37 3dde h ALA 41 N 1.11 -0.00 -0.37 1.82 0.00 -0.82 -3.13 119.26 117.86 3dde h ALA 41 Ca 0.23 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3dde h ALA 41 Cb 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 3dde h ALA 41 CO -0.01 -0.41 -0.11 0.82 0.00 0.00 0.00 179.25 179.55 3dde h ILE 42 N -0.19 0.60 0.00 0.00 2.04 -1.04 0.12 117.51 119.04 3dde h ILE 42 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3dde h ILE 42 Cb 0.19 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3dde h ILE 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 3dde n TYR 43 N -5.30 0.00 0.00 1.37 9.36 -0.88 -2.77 117.16 118.94 3dde n TYR 43 Ca 0.02 -0.06 0.00 0.00 3.32 0.00 0.00 57.90 61.18 3dde n TYR 43 Cb 0.22 -0.08 0.00 0.00 -0.63 0.00 0.00 39.34 38.84 3dde n TYR 43 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 3dde n THR 45 N 0.71 0.00 0.06 2.97 -1.04 0.42 -2.11 114.28 115.29 3dde n THR 45 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 3dde n THR 45 Cb 0.07 0.00 0.17 0.00 -1.82 0.00 0.00 70.33 68.75 3dde n THR 45 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3dde h GLU 46 N 0.00 0.33 -0.75 -2.82 4.39 -1.77 -1.87 114.58 112.09 3dde h GLU 46 Ca 0.00 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 3dde h GLU 46 Cb 0.00 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 3dde h GLU 46 CO 0.00 0.72 0.33 1.15 -1.16 0.00 0.00 179.01 180.04 3dde h THR 47 N 0.27 1.25 -0.43 1.13 2.02 -1.73 -2.47 112.91 112.95 3dde h THR 47 Ca 0.02 -0.75 0.02 0.00 0.77 0.00 0.00 66.41 66.47 3dde h THR 47 Cb 0.90 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 3dde h THR 47 CO 0.07 0.31 0.26 0.22 0.37 0.00 0.00 175.52 176.75 3dde h TYR 48 N 1.07 0.49 -0.13 3.16 3.20 -1.75 -0.63 116.97 122.37 3dde h TYR 48 Ca 0.25 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.15 3dde h TYR 48 Cb 0.17 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 3dde h TYR 48 CO 0.01 0.29 0.03 0.45 -1.64 0.00 0.00 178.16 177.30 3dde h HIS 49 N 0.53 0.05 0.07 -3.82 3.86 -0.98 -2.22 115.15 112.64 3dde h HIS 49 Ca 0.17 0.01 -0.25 0.00 -1.16 0.00 0.00 60.37 59.14 3dde h HIS 49 Cb -0.01 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 3dde h HIS 49 CO -0.06 0.02 -1.13 0.10 0.86 0.00 0.00 177.93 177.71 3dde h TYR 50 N 0.08 0.30 -0.23 2.45 -0.00 -1.41 -3.28 116.97 114.88 3dde h TYR 50 Ca 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 58.73 58.54 3dde h TYR 50 Cb 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 36.73 36.75 3dde h TYR 50 CO -0.12 1.16 0.03 1.15 -0.00 0.00 0.00 178.16 180.38 3dde h THR 51 N 0.05 1.13 -0.32 -0.90 2.02 -1.09 -2.11 112.91 111.70 3dde h THR 51 Ca -0.08 -0.49 0.09 0.00 0.77 0.00 0.00 66.41 66.70 3dde h THR 51 Cb 1.87 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 3dde h THR 51 CO 0.17 0.17 0.31 0.50 0.37 0.00 0.00 175.52 177.04 3dde h LYS 52 N 0.33 0.00 -0.01 6.66 3.64 -1.46 -2.51 116.57 123.22 3dde h LYS 52 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3dde h LYS 52 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3dde h LYS 52 CO 0.00 0.00 -0.49 0.72 -2.27 0.00 0.00 179.45 177.42 3dde n HIS 53 N -3.93 0.00 -0.18 1.91 8.25 -0.79 -4.67 115.22 115.81 3dde n HIS 53 Ca 0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.41 3dde n HIS 53 Cb 0.47 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.58 3dde n HIS 53 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 3dde h ASN 54 N 1.97 0.98 -0.75 0.41 2.35 -1.48 -0.97 115.58 118.10 3dde h ASN 54 Ca 0.00 -0.35 -0.00 0.00 -0.55 0.00 0.00 56.30 55.40 3dde h ASN 54 Cb 0.66 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 3dde h ASN 54 CO 0.00 1.10 0.45 0.00 -1.65 0.00 0.00 177.43 177.34 3dde h ALA 55 N 0.91 0.95 0.01 -0.83 0.00 -1.83 -1.30 119.26 117.17 3dde h ALA 55 Ca 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dde h ALA 55 Cb 0.65 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3dde h ALA 55 CO 0.05 0.41 -0.00 0.87 0.00 0.00 0.00 179.25 180.57 3dde h LYS 56 N 1.02 -0.01 0.00 0.00 1.57 -1.78 -1.43 116.57 115.94 3dde h LYS 56 Ca 0.27 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 3dde h LYS 56 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3dde h LYS 56 CO -0.05 0.29 -0.31 -2.95 -0.57 0.00 0.00 179.45 175.85 3dde h ASN 57 N -0.31 0.00 -0.22 0.86 7.08 -1.15 -1.70 115.58 120.14 3dde h ASN 57 Ca -0.00 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.17 3dde h ASN 57 Cb 0.30 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.54 3dde h ASN 57 CO 0.00 0.31 -0.06 -0.61 -2.08 0.00 0.00 177.43 175.00 3dde h GLN 58 N 0.00 0.43 -0.16 4.14 5.75 -1.15 -2.90 115.11 121.24 3dde h GLN 58 Ca -0.00 -0.17 -0.03 0.00 -0.15 0.00 0.00 58.65 58.30 3dde h GLN 58 Cb 0.73 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.24 3dde h GLN 58 CO 0.04 0.67 -0.03 0.00 -2.65 0.00 0.00 178.83 176.87 3dde h ALA 59 N 0.75 1.67 -0.47 3.38 0.00 -1.00 -2.87 119.26 120.72 3dde h ALA 59 Ca 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3dde h ALA 59 Cb 0.51 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3dde h ALA 59 CO 0.02 0.25 0.16 1.25 0.00 0.00 0.00 179.25 180.93 3dde h LEU 60 N 0.22 0.63 -0.79 0.00 5.85 -1.11 -2.12 115.31 117.99 3dde h LEU 60 Ca 0.05 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.79 3dde h LEU 60 Cb 0.20 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 3dde h LEU 60 CO 0.01 0.59 0.43 0.58 -0.34 0.00 0.00 178.44 179.70 3dde h VAL 61 N 0.68 0.87 0.00 1.05 2.07 -1.43 -2.20 116.25 117.29 3dde h VAL 61 Ca 0.16 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 3dde h VAL 61 Cb 0.18 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 3dde h VAL 61 CO -0.01 0.13 -0.40 1.23 0.02 0.00 0.00 177.57 178.54 3dde h GLY 62 N 0.71 0.00 -0.27 2.17 0.00 -1.50 0.12 103.07 104.29 3dde h GLY 62 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3dde h GLY 62 CO -0.27 0.00 0.00 1.39 0.00 0.00 0.00 176.54 177.66 3dde n ILE 63 N -3.79 0.08 -0.97 2.60 5.41 -0.83 -4.97 119.36 116.89 3dde n ILE 63 Ca -0.01 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.66 3dde n ILE 63 Cb 0.47 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.40 3dde n ILE 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dde n GLY 65 N 0.55 0.00 3.70 7.39 0.00 0.41 -5.12 105.19 112.13 3dde n GLY 65 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3dde n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dde s LYS 66 N -2.16 3.90 -1.21 1.61 3.01 -1.26 -4.62 119.74 119.01 3dde s LYS 66 Ca 0.00 -0.28 -0.18 0.00 -1.01 0.00 0.00 55.97 54.51 3dde s LYS 66 Cb 0.00 -3.25 -0.00 0.00 -1.01 0.00 0.00 37.83 33.57 3dde s LYS 66 CO 0.00 0.39 0.70 -0.25 0.51 0.00 0.00 175.35 176.70 3dde n ASP 67 N 3.20 -4.06 -4.81 2.83 8.00 -1.26 -4.94 116.55 115.52 3dde n ASP 67 Ca -0.17 -1.04 -0.35 0.00 0.71 0.00 0.00 54.79 53.93 3dde n ASP 67 Cb 0.53 -3.13 -0.06 0.00 -0.02 0.00 0.00 41.12 38.43 3dde n ASP 67 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dde s LEU 68 N -6.69 4.24 0.52 0.64 1.43 -1.26 -5.01 118.68 112.55 3dde s LEU 68 Ca 0.37 1.61 -0.21 0.00 -1.03 0.00 0.00 54.13 54.86 3dde s LEU 68 Cb -0.14 -3.96 -0.07 0.00 0.03 0.00 0.00 46.19 42.04 3dde s LEU 68 CO 0.88 -0.10 1.07 -2.65 0.23 0.00 0.00 176.35 175.78 3dde n PRO 69 N 0.31 1.28 -0.27 1.29 -0.02 -1.26 -4.75 135.00 131.57 3dde n PRO 69 Ca 0.02 0.47 0.08 0.00 -2.02 0.00 0.00 63.50 62.04 3dde n PRO 69 Cb 0.51 -2.21 0.22 0.00 -0.02 0.00 0.00 33.50 32.00 3dde n PRO 69 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3dde h GLY 70 N 1.13 1.24 1.60 -1.23 0.00 -2.00 -0.73 103.07 103.08 3dde h GLY 70 Ca -0.48 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 46.66 3dde h GLY 70 CO 0.55 -0.17 -0.09 0.50 0.00 0.00 0.00 176.54 177.33 3dde h LYS 71 N 0.40 0.49 -0.24 4.80 6.56 -2.00 -2.43 116.57 124.14 3dde h LYS 71 Ca 0.46 -0.13 -0.19 0.00 -1.06 0.00 0.00 60.65 59.73 3dde h LYS 71 Cb 0.78 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.38 3dde h LYS 71 CO -0.47 0.58 -0.62 -0.92 -2.06 0.00 0.00 179.45 175.97 3dde h TYR 72 N 0.46 1.05 -0.34 -1.35 3.20 -1.49 -0.97 116.97 117.53 3dde h TYR 72 Ca 0.09 -0.40 -0.02 0.00 3.14 0.00 0.00 58.73 61.54 3dde h TYR 72 Cb 0.43 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3dde h TYR 72 CO 0.01 1.22 0.14 1.25 -1.64 0.00 0.00 178.16 179.15 3dde h LEU 73 N 0.61 0.46 -0.54 2.82 5.85 -1.26 -1.57 115.31 121.68 3dde h LEU 73 Ca -0.01 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.58 3dde h LEU 73 Cb 1.22 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 3dde h LEU 73 CO 0.13 0.49 0.33 0.28 -0.34 0.00 0.00 178.44 179.33 3dde h SER 74 N 0.41 0.53 -0.46 1.25 0.02 -1.42 -2.74 113.55 111.15 3dde h SER 74 Ca 0.11 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.14 3dde h SER 74 Cb 0.17 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.53 3dde h SER 74 CO -0.01 0.38 0.08 0.15 -1.14 0.00 0.00 176.83 176.28 3dde h PHE 75 N 0.65 0.12 -0.37 3.45 3.04 -0.84 0.14 116.94 123.14 3dde h PHE 75 Ca 0.21 0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.22 3dde h PHE 75 Cb 0.01 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.51 3dde h PHE 75 CO -0.06 -0.01 0.19 0.00 -2.02 0.00 0.00 178.31 176.40 3dde h PHE 77 N 0.38 0.74 0.09 0.00 0.04 -1.28 -1.92 116.94 114.98 3dde h PHE 77 Ca 0.15 -0.38 -0.00 0.00 2.80 0.00 0.00 57.97 60.54 3dde h PHE 77 Cb 0.06 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.11 3dde h PHE 77 CO -0.10 1.19 -0.04 1.25 -0.60 0.00 0.00 178.31 180.01 3dde h HIS 78 N 0.31 -0.11 -0.03 -0.55 -0.00 -0.57 -1.17 115.15 113.04 3dde h HIS 78 Ca -0.07 -0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.20 3dde h HIS 78 Cb 1.52 0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 28.95 3dde h HIS 78 CO 0.07 -0.05 -0.40 0.45 -0.00 0.00 0.00 177.93 177.99 3dde h HIS 79 N -0.13 0.07 -0.59 5.26 3.86 -1.01 -1.21 115.15 121.40 3dde h HIS 79 Ca -0.01 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.14 3dde h HIS 79 Cb 0.10 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 3dde h HIS 79 CO -0.07 0.45 0.22 0.00 0.86 0.00 0.00 177.93 179.39 3dde h ALA 80 N 1.54 0.77 -0.65 2.45 0.00 -1.18 -0.25 119.26 121.94 3dde h ALA 80 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3dde h ALA 80 Cb 0.73 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3dde h ALA 80 CO 0.05 0.40 0.30 1.25 0.00 0.00 0.00 179.25 181.26 3dde h HIS 81 N 0.82 0.94 -0.44 0.00 6.17 -0.73 -1.59 115.15 120.33 3dde h HIS 81 Ca 0.19 -0.05 -0.08 0.00 0.71 0.00 0.00 60.37 61.14 3dde h HIS 81 Cb 0.23 -0.29 -0.02 0.00 2.52 0.00 0.00 27.41 29.85 3dde h HIS 81 CO 0.01 0.72 -0.06 0.93 0.71 0.00 0.00 177.93 180.24 3dde h GLU 82 N 0.90 0.76 0.00 5.26 4.39 -0.90 -3.07 114.58 121.92 3dde h GLU 82 Ca 0.22 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 3dde h GLU 82 Cb 0.13 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3dde h GLU 82 CO -0.03 0.81 -0.15 0.93 -1.16 0.00 0.00 179.01 179.41 3dde h GLU 83 N 0.70 0.00 -6.40 2.33 4.39 -0.85 -3.46 114.58 111.29 3dde h GLU 83 Ca 0.13 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.22 3dde h GLU 83 Cb 0.52 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.21 3dde h GLU 83 CO 0.03 0.15 0.86 0.00 -1.16 0.00 0.00 179.01 178.89 3dde n ALA 84 N -2.14 0.92 -0.19 3.43 0.00 -0.61 -1.51 120.51 120.40 3dde n ALA 84 Ca 0.03 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3dde n ALA 84 Cb 0.55 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3dde n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dde n GLY 85 N 3.67 2.10 0.45 0.00 0.00 -1.26 -4.91 105.19 105.24 3dde n GLY 85 Ca 0.19 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.48 3dde n GLY 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3dde h HIS 86 N 0.00 0.00 0.00 1.61 -0.00 -1.59 0.50 115.15 115.67 3dde h HIS 86 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 3dde h HIS 86 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3dde h HIS 86 CO 0.00 0.00 -0.07 1.05 -0.00 0.00 0.00 177.93 178.91 3dde h GLU 87 N 0.00 0.00 -1.98 2.45 9.09 -1.82 -3.33 114.58 118.99 3dde h GLU 87 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.78 3dde h GLU 87 Cb 1.66 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.76 3dde h GLU 87 CO -0.00 0.07 0.00 1.28 0.05 0.00 0.00 179.01 180.41 3dde n LEU 88 N -3.87 0.46 0.00 3.06 4.77 0.17 -2.03 117.00 119.57 3dde n LEU 88 Ca -0.02 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 3dde n LEU 88 Cb 0.17 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3dde n LEU 88 CO 0.30 0.09 0.00 0.00 -1.33 0.00 0.00 177.39 176.45 3dde n ALA 90 N 1.78 0.00 0.09 -1.18 0.00 -1.25 -0.46 120.51 119.49 3dde n ALA 90 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3dde n ALA 90 Cb 0.05 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.74 3dde n ALA 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3dde h LEU 91 N 0.00 0.25 -0.50 0.00 5.85 -1.76 -2.21 115.31 116.95 3dde h LEU 91 Ca 0.00 -0.10 -0.14 0.00 0.84 0.00 0.00 57.88 58.49 3dde h LEU 91 Cb 0.00 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3dde h LEU 91 CO 0.00 0.61 -0.27 -1.28 -0.34 0.00 0.00 178.44 177.16 3dde h SER 92 N 0.21 0.98 -0.57 1.25 0.87 -1.04 -2.46 113.55 112.79 3dde h SER 92 Ca 0.02 -0.39 -0.06 0.00 -1.23 0.00 0.00 61.79 60.13 3dde h SER 92 Cb 0.75 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 3dde h SER 92 CO 0.06 1.17 0.13 0.44 -0.53 0.00 0.00 176.83 178.10 3dde h ASP 93 N 0.80 0.92 -0.46 6.23 3.32 -1.74 -0.85 116.42 124.63 3dde h ASP 93 Ca 0.09 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.86 3dde h ASP 93 Cb 0.84 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3dde h ASP 93 CO 0.07 0.90 -0.05 0.40 -1.72 0.00 0.00 179.24 178.84 3dde h ILE 94 N 0.92 1.26 -0.15 0.35 2.04 -1.31 -2.62 117.51 117.99 3dde h ILE 94 Ca 0.19 -1.15 -0.12 0.00 1.00 0.00 0.00 64.86 64.78 3dde h ILE 94 Cb 0.36 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3dde h ILE 94 CO 0.00 0.40 -0.44 0.00 0.00 0.00 0.00 178.15 178.12 3dde h ALA 95 N 1.11 0.97 0.00 1.87 0.00 -1.20 -2.89 119.26 119.11 3dde h ALA 95 Ca 0.14 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3dde h ALA 95 Cb 0.57 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3dde h ALA 95 CO 0.03 0.63 -0.04 0.77 0.00 0.00 0.00 179.25 180.64 3dde h SER 96 N 0.29 0.00 -0.58 0.00 0.02 -0.79 -2.37 113.55 110.13 3dde h SER 96 Ca 0.02 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 3dde h SER 96 Cb 0.89 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.40 3dde h SER 96 CO 0.07 0.04 0.07 2.30 -1.14 0.00 0.00 176.83 178.18 3dde n ILE 97 N -3.22 2.76 -0.64 3.27 -5.35 -1.11 -4.91 119.36 110.16 3dde n ILE 97 Ca -0.01 -1.55 0.00 0.00 -0.27 0.00 0.00 62.75 60.92 3dde n ILE 97 Cb 0.25 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 37.85 3dde n ILE 97 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dde n GLY 98 N 0.25 0.65 3.87 3.28 0.00 -0.89 -5.07 105.19 107.27 3dde n GLY 98 Ca 0.31 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 3dde n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dde s PHE 99 N -2.00 3.20 -0.19 1.61 0.08 -1.10 -4.98 117.98 114.59 3dde s PHE 99 Ca 0.00 -0.10 -0.28 0.00 0.12 0.00 0.00 56.93 56.68 3dde s PHE 99 Cb 0.00 -1.48 -0.00 0.00 -0.57 0.00 0.00 43.02 40.97 3dde s PHE 99 CO 0.00 0.47 0.96 0.34 -0.10 0.00 0.00 175.22 176.89 3dde s ASP 100 N -3.90 7.06 0.27 1.36 -1.08 -1.26 -4.05 116.67 115.08 3dde s ASP 100 Ca 0.34 1.32 -0.00 0.00 -0.52 0.00 0.00 52.55 53.69 3dde s ASP 100 Cb -0.08 -2.51 0.52 0.00 -1.46 0.00 0.00 42.92 39.38 3dde s ASP 100 CO 0.26 -0.55 1.82 0.03 0.52 0.00 0.00 175.17 177.25 3dde h ARG 101 N 7.39 0.87 -0.28 4.34 3.08 -1.93 -2.50 114.38 125.36 3dde h ARG 101 Ca -0.24 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 3dde h ARG 101 Cb 1.10 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 3dde h ARG 101 CO 0.91 0.58 0.11 0.93 -1.07 0.00 0.00 179.97 181.43 3dde h GLU 102 N 0.90 0.38 0.00 0.04 4.39 -1.99 -1.25 114.58 117.05 3dde h GLU 102 Ca 0.47 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 60.08 3dde h GLU 102 Cb 0.49 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3dde h GLU 102 CO -0.27 0.33 -0.22 -0.44 -1.16 0.00 0.00 179.01 177.24 3dde h ASP 103 N 0.39 0.00 0.04 1.42 3.32 -1.86 -2.12 116.42 117.61 3dde h ASP 103 Ca 0.10 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 3dde h ASP 103 Cb 0.09 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.65 3dde h ASP 103 CO -0.01 0.22 -0.46 0.58 -1.72 0.00 0.00 179.24 177.85 3dde h VAL 104 N 0.00 1.55 -0.31 -1.35 2.07 -1.32 -3.15 116.25 113.74 3dde h VAL 104 Ca -0.00 -2.22 -0.03 0.00 0.82 0.00 0.00 66.70 65.26 3dde h VAL 104 Cb 0.41 2.97 -0.02 0.00 -1.52 0.00 0.00 31.29 33.13 3dde h VAL 104 CO 0.03 0.62 0.05 -0.07 0.02 0.00 0.00 177.57 178.22 3dde h LEU 105 N -0.45 0.42 -0.97 2.57 3.38 -1.23 -2.43 115.31 116.61 3dde h LEU 105 Ca -0.07 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3dde h LEU 105 Cb 1.27 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3dde h LEU 105 CO 0.09 0.45 0.00 -1.54 0.09 0.00 0.00 178.44 177.53 3dde n SER 106 N -4.34 1.50 -4.86 -0.43 3.41 -0.81 -4.93 113.62 103.16 3dde n SER 106 Ca 0.01 -1.50 -0.31 0.00 -0.26 0.00 0.00 58.87 56.81 3dde n SER 106 Cb 0.19 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.09 3dde n SER 106 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3dde s SER 107 N -1.99 6.64 -0.01 4.04 1.04 -0.92 -5.08 113.70 117.41 3dde s SER 107 Ca 0.38 1.18 -0.06 0.00 0.48 0.00 0.00 55.95 57.92 3dde s SER 107 Cb 0.21 -2.34 -0.05 0.00 0.10 0.00 0.00 66.02 63.95 3dde s SER 107 CO 0.33 -0.29 0.24 -0.54 0.98 0.00 0.00 173.24 173.96 3dde s LYS 108 N -3.40 3.55 0.79 4.02 3.01 -1.26 -5.03 119.74 121.41 3dde s LYS 108 Ca 0.52 -0.10 -0.13 0.00 -1.01 0.00 0.00 55.97 55.25 3dde s LYS 108 Cb -0.10 -3.10 0.07 0.00 -1.01 0.00 0.00 37.83 33.69 3dde s LYS 108 CO 0.25 0.67 1.18 -2.14 0.51 0.00 0.00 175.35 175.82 3dde s PRO 109 N -1.64 1.80 0.69 -1.68 0.02 -1.26 -5.00 135.00 127.92 3dde s PRO 109 Ca 0.25 1.66 -0.13 0.00 0.02 0.00 0.00 61.00 62.81 3dde s PRO 109 Cb -0.13 -1.80 0.01 0.00 0.02 0.00 0.00 34.50 32.60 3dde s PRO 109 CO 0.14 -2.07 1.08 -0.51 -0.33 0.00 0.00 177.00 175.31 3dde s LEU 110 N -5.65 3.23 0.30 -5.54 1.43 -1.26 -4.77 118.68 106.43 3dde s LEU 110 Ca 0.71 1.82 0.03 0.00 -1.03 0.00 0.00 54.13 55.66 3dde s LEU 110 Cb -0.27 -4.52 0.62 0.00 0.03 0.00 0.00 46.19 42.05 3dde s LEU 110 CO 0.50 -1.65 1.86 -0.65 0.23 0.00 0.00 176.35 176.64 3dde h PRO 111 N -0.46 0.90 -0.36 1.29 0.11 -1.99 -0.73 132.00 130.75 3dde h PRO 111 Ca -0.45 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3dde h PRO 111 Cb 1.23 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3dde h PRO 111 CO 0.54 0.59 -0.00 0.00 -0.21 0.00 0.00 178.00 178.93 3dde h ALA 112 N 1.55 1.33 -0.07 -0.75 0.00 -1.92 -0.41 119.26 118.99 3dde h ALA 112 Ca 0.47 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 3dde h ALA 112 Cb 0.51 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.15 3dde h ALA 112 CO -0.23 0.46 -0.42 1.15 0.00 0.00 0.00 179.25 180.21 3dde h THR 113 N 0.54 1.41 -0.96 0.00 2.02 -1.55 -1.84 112.91 112.53 3dde h THR 113 Ca 0.11 -1.82 0.07 0.00 0.77 0.00 0.00 66.41 65.55 3dde h THR 113 Cb 0.35 2.34 -0.06 0.00 -1.74 0.00 0.00 68.15 69.03 3dde h THR 113 CO 0.01 0.53 0.62 -0.08 0.37 0.00 0.00 175.52 176.97 3dde h GLU 114 N -0.07 1.06 -0.64 6.66 4.57 -1.03 -1.20 114.58 123.93 3dde h GLU 114 Ca -0.03 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.01 3dde h GLU 114 Cb 1.08 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 29.40 3dde h GLU 114 CO 0.09 0.70 0.13 1.15 -1.18 0.00 0.00 179.01 179.89 3dde h THR 115 N 1.09 1.26 -0.22 0.32 2.02 -0.92 -1.57 112.91 114.89 3dde h THR 115 Ca 0.42 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 3dde h THR 115 Cb 0.21 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3dde h THR 115 CO -0.17 0.37 0.06 0.25 0.37 0.00 0.00 175.52 176.40 3dde h LEU 116 N 0.97 0.33 -0.23 2.58 5.85 -0.82 -2.43 115.31 121.56 3dde h LEU 116 Ca 0.20 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.75 3dde h LEU 116 Cb 0.40 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 3dde h LEU 116 CO 0.01 0.47 -0.11 0.40 -0.34 0.00 0.00 178.44 178.87 3dde h ILE 117 N 0.18 0.64 -0.48 4.05 2.04 -1.10 -1.36 117.51 121.49 3dde h ILE 117 Ca 0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.98 3dde h ILE 117 Cb 0.27 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 3dde h ILE 117 CO 0.00 0.00 0.22 0.00 0.00 0.00 0.00 178.15 178.37 3dde h ALA 118 N 1.10 0.61 -0.17 1.87 0.00 -1.27 -2.44 119.26 118.97 3dde h ALA 118 Ca 0.12 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3dde h ALA 118 Cb 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3dde h ALA 118 CO -0.28 -0.14 0.09 -0.92 0.00 0.00 0.00 179.25 177.99 3dde h TYR 119 N 0.44 0.16 -0.73 0.00 3.20 -0.94 -1.60 116.97 117.49 3dde h TYR 119 Ca 0.22 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 3dde h TYR 119 Cb 0.16 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 3dde h TYR 119 CO -0.12 0.10 0.39 -0.07 -1.64 0.00 0.00 178.16 176.81 3dde h LEU 120 N 0.18 0.93 -0.53 2.82 3.38 -1.10 -0.91 115.31 120.08 3dde h LEU 120 Ca 0.07 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3dde h LEU 120 Cb 0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3dde h LEU 120 CO -0.04 0.78 0.08 1.88 0.09 0.00 0.00 178.44 181.23 3dde h TYR 121 N 1.02 0.93 -0.17 1.13 0.05 -1.33 -2.37 116.97 116.24 3dde h TYR 121 Ca 0.26 -0.13 0.01 0.00 0.05 0.00 0.00 58.73 58.92 3dde h TYR 121 Cb 0.06 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.53 3dde h TYR 121 CO 0.00 0.84 0.07 2.35 -1.05 0.00 0.00 178.16 180.37 3dde h TRP 122 N 0.76 0.13 0.00 4.88 2.91 -0.90 0.86 115.95 124.60 3dde h TRP 122 Ca 0.16 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.19 3dde h TRP 122 Cb 0.41 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.02 3dde h TRP 122 CO 0.03 0.07 0.00 0.44 -1.03 0.00 0.00 178.44 177.95 3dde n ILE 123 N -5.03 0.56 -0.02 2.65 -6.64 -0.38 -1.40 119.36 109.10 3dde n ILE 123 Ca -0.04 0.04 -0.10 0.00 -1.77 0.00 0.00 62.75 60.89 3dde n ILE 123 Cb 0.06 -0.78 -0.14 0.00 -1.44 0.00 0.00 39.64 37.34 3dde n ILE 123 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 3dde n SER 124 N -1.84 0.99 0.06 7.28 7.64 -0.89 -4.28 113.62 122.58 3dde n SER 124 Ca 0.05 0.39 0.11 0.00 1.01 0.00 0.00 58.87 60.44 3dde n SER 124 Cb 0.30 -0.14 0.02 0.00 -1.01 0.00 0.00 64.21 63.38 3dde n SER 124 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dde n ALA 125 N -2.60 2.93 -2.30 -0.43 0.00 0.25 -3.51 120.51 114.85 3dde n ALA 125 Ca -0.18 -0.33 -0.17 0.00 0.00 0.00 0.00 53.44 52.76 3dde n ALA 125 Cb 1.05 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.38 3dde n ALA 125 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3dde s THR 126 N -3.29 0.28 0.00 0.00 -4.23 -0.49 -4.90 115.64 103.00 3dde s THR 126 Ca 0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3dde s THR 126 Cb 0.12 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.43 3dde s THR 126 CO 0.80 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.49 3dde n GLY 127 N -0.50 -0.47 3.63 3.99 0.00 -1.26 -4.66 105.19 105.92 3dde n GLY 127 Ca 0.02 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 3dde n GLY 127 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dde s ASN 128 N -4.00 6.31 0.64 1.61 3.84 -1.26 -4.88 114.94 117.20 3dde s ASN 128 Ca 0.00 1.65 0.37 0.00 0.21 0.00 0.00 52.86 55.10 3dde s ASN 128 Cb 0.00 -2.53 2.02 0.00 -0.55 0.00 0.00 41.25 40.19 3dde s ASN 128 CO 0.00 -1.31 2.13 1.55 -2.79 0.00 0.00 177.10 176.68 3dde h PRO 129 N 11.05 0.00 0.00 0.43 0.13 -1.90 -1.36 132.00 140.35 3dde h PRO 129 Ca -0.35 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.72 3dde h PRO 129 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3dde h PRO 129 CO 1.00 0.00 -0.31 0.28 -0.23 0.00 0.00 178.00 178.74 3dde h VAL 130 N 0.00 0.89 -0.36 1.56 2.07 -1.94 -3.38 116.25 115.10 3dde h VAL 130 Ca 0.00 -1.19 0.08 0.00 0.82 0.00 0.00 66.70 66.40 3dde h VAL 130 Cb 0.28 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3dde h VAL 130 CO 0.00 0.30 0.25 0.06 0.02 0.00 0.00 177.57 178.20 3dde h GLN 131 N 0.00 0.13 0.00 1.57 3.07 -1.53 -2.04 115.11 116.31 3dde h GLN 131 Ca -0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.71 3dde h GLN 131 Cb 0.69 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.22 3dde h GLN 131 CO 0.04 0.09 -0.08 -0.09 0.09 0.00 0.00 178.83 178.88 3dde h ARG 132 N 0.13 0.00 -0.15 0.06 2.43 -1.79 -1.87 114.38 113.19 3dde h ARG 132 Ca 0.16 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 3dde h ARG 132 Cb 0.48 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3dde h ARG 132 CO -0.02 0.08 0.20 -0.07 -1.51 0.00 0.00 179.97 178.65 3dde h LEU 133 N 0.00 0.00 -0.77 3.80 3.38 -1.68 -1.43 115.31 118.61 3dde h LEU 133 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3dde h LEU 133 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3dde h LEU 133 CO 0.01 0.00 0.06 1.23 0.09 0.00 0.00 178.44 179.83 3dde h GLY 134 N 0.00 1.07 0.86 0.83 0.00 -1.51 0.68 103.07 104.99 3dde h GLY 134 Ca 0.07 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 3dde h GLY 134 CO -0.00 0.66 -0.06 -1.82 0.00 0.00 0.00 176.54 175.32 3dde h TYR 135 N 0.92 -0.15 -0.55 5.60 3.20 -1.44 -2.96 116.97 121.60 3dde h TYR 135 Ca 0.18 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.10 3dde h TYR 135 Cb 0.45 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 3dde h TYR 135 CO 0.03 0.03 0.36 0.77 -1.64 0.00 0.00 178.16 177.71 3dde h SER 136 N -0.31 0.48 0.01 -2.11 0.02 -1.33 -0.43 113.55 109.87 3dde h SER 136 Ca -0.02 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3dde h SER 136 Cb 0.25 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3dde h SER 136 CO 0.03 0.32 -0.12 0.22 -1.14 0.00 0.00 176.83 176.14 3dde h TYR 137 N 0.55 -0.30 0.11 3.45 3.20 -0.68 -0.44 116.97 122.86 3dde h TYR 137 Ca 0.23 0.01 -0.28 0.00 3.14 0.00 0.00 58.73 61.83 3dde h TYR 137 Cb 0.23 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 3dde h TYR 137 CO -0.00 -0.18 -1.32 0.11 -1.64 0.00 0.00 178.16 175.13 3dde h TRP 138 N -0.20 0.42 -0.72 -3.82 5.08 -1.56 -3.03 115.95 112.12 3dde h TRP 138 Ca 0.04 -0.31 0.11 0.00 1.08 0.00 0.00 58.89 59.81 3dde h TRP 138 Cb 0.25 -0.02 -0.05 0.00 -3.00 0.00 0.00 29.16 26.35 3dde h TRP 138 CO -0.17 1.28 0.48 0.00 -1.28 0.00 0.00 178.44 178.74 3dde h ALA 139 N 0.61 1.90 0.00 0.11 0.00 -0.96 -2.73 119.26 118.18 3dde h ALA 139 Ca -0.16 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 3dde h ALA 139 Cb 1.97 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.60 3dde h ALA 139 CO 0.18 -0.07 -1.55 0.39 0.00 0.00 0.00 179.25 178.20 3dde n GLU 140 N -4.49 0.63 -1.58 0.00 -0.58 -0.18 -4.01 120.64 110.43 3dde n GLU 140 Ca 0.12 0.23 -0.33 0.00 -0.42 0.00 0.00 57.16 56.76 3dde n GLU 140 Cb 0.38 -1.79 0.06 0.00 -0.57 0.00 0.00 31.44 29.52 3dde n GLU 140 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3dde n ASN 141 N -2.91 7.05 -0.05 1.62 4.13 -1.13 -4.65 115.26 119.32 3dde n ASN 141 Ca -0.13 -3.79 -0.13 0.00 1.68 0.00 0.00 54.58 52.22 3dde n ASN 141 Cb 0.91 -0.85 -0.14 0.00 -1.54 0.00 0.00 39.78 38.16 3dde n ASN 141 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 3dde n VAL 142 N -0.81 1.59 0.00 2.41 3.14 -1.05 -4.31 118.33 119.30 3dde n VAL 142 Ca 0.57 -0.75 0.20 0.00 -2.96 0.00 0.00 64.34 61.41 3dde n VAL 142 Cb 0.66 -1.12 0.70 0.00 -1.06 0.00 0.00 33.84 33.01 3dde n VAL 142 CO 0.00 0.00 0.00 0.22 -6.46 0.00 0.00 176.83 170.59 3dde h TYR 143 N 0.02 0.00 0.00 1.45 5.03 -1.87 -1.48 116.97 120.12 3dde h TYR 143 Ca -0.42 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.89 3dde h TYR 143 Cb 2.06 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.34 3dde h TYR 143 CO 0.02 0.00 0.00 0.41 -1.32 0.00 0.00 178.16 177.27 3dde n GLY 144 N -1.64 -1.24 0.08 1.82 0.00 -1.26 -2.46 105.19 100.50 3dde n GLY 144 Ca 0.10 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 3dde n GLY 144 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dde n TYR 145 N -2.22 0.00 1.39 1.61 4.01 -0.57 -4.67 117.16 116.70 3dde n TYR 145 Ca 0.02 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.89 3dde n TYR 145 Cb 0.21 -0.61 0.45 0.00 -0.31 0.00 0.00 39.34 39.09 3dde n TYR 145 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 3dde n ILE 146 N -2.90 0.03 -0.28 -0.72 -5.35 -1.12 -4.44 119.36 104.57 3dde n ILE 146 Ca -0.27 -0.30 0.03 0.00 -0.27 0.00 0.00 62.75 61.94 3dde n ILE 146 Cb 0.81 0.62 0.17 0.00 -1.74 0.00 0.00 39.64 39.50 3dde n ILE 146 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 3dde h ASP 147 N 2.67 0.57 -0.27 7.28 3.58 -1.75 -1.66 116.42 126.85 3dde h ASP 147 Ca 0.00 0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.46 3dde h ASP 147 Cb 0.57 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 3dde h ASP 147 CO 0.00 0.30 -0.00 -0.65 -2.88 0.00 0.00 179.24 176.01 3dde h PRO 148 N 0.69 0.59 -0.47 0.28 0.11 -1.89 -0.64 132.00 130.67 3dde h PRO 148 Ca 0.40 -0.14 -0.09 0.00 0.11 0.00 0.00 66.00 66.28 3dde h PRO 148 Cb 0.44 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 3dde h PRO 148 CO -0.28 0.62 -0.06 0.28 -0.21 0.00 0.00 178.00 178.34 3dde h VAL 149 N 0.56 1.27 -0.56 3.15 2.07 -1.64 -1.60 116.25 119.50 3dde h VAL 149 Ca 0.12 -1.16 -0.10 0.00 0.82 0.00 0.00 66.70 66.38 3dde h VAL 149 Cb 0.37 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3dde h VAL 149 CO 0.01 0.40 -0.03 -0.07 0.02 0.00 0.00 177.57 177.91 3dde h LEU 150 N 0.73 1.00 -1.08 2.57 3.38 -1.16 -2.12 115.31 118.62 3dde h LEU 150 Ca 0.13 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 3dde h LEU 150 Cb 0.59 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3dde h LEU 150 CO 0.04 1.08 -0.15 0.11 0.09 0.00 0.00 178.44 179.61 3dde h LYS 151 N 0.89 0.48 -0.14 1.13 6.56 -1.01 -2.01 116.57 122.48 3dde h LYS 151 Ca 0.16 -0.14 -0.16 0.00 -1.06 0.00 0.00 60.65 59.45 3dde h LYS 151 Cb 0.58 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.19 3dde h LYS 151 CO 0.03 0.62 -0.58 0.00 -2.06 0.00 0.00 179.45 177.46 3dde h ALA 152 N 1.41 0.74 -0.37 3.86 0.00 -1.12 -2.50 119.26 121.29 3dde h ALA 152 Ca 0.08 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 3dde h ALA 152 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3dde h ALA 152 CO 0.03 0.70 -0.19 0.97 0.00 0.00 0.00 179.25 180.77 3dde h ILE 153 N 0.33 1.28 -0.47 0.00 6.09 -1.17 -1.79 117.51 121.79 3dde h ILE 153 Ca 0.00 -1.32 0.00 0.00 -1.37 0.00 0.00 64.86 62.18 3dde h ILE 153 Cb 1.11 1.34 -0.02 0.00 0.47 0.00 0.00 36.82 39.72 3dde h ILE 153 CO 0.10 0.43 0.30 -0.61 -3.07 0.00 0.00 178.15 175.31 3dde h GLN 154 N 0.57 0.62 0.01 2.19 4.15 -1.34 -2.05 115.11 119.26 3dde h GLN 154 Ca 0.08 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 3dde h GLN 154 Cb 0.74 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.29 3dde h GLN 154 CO 0.06 0.42 -0.00 0.77 -1.93 0.00 0.00 178.83 178.14 3dde h SER 155 N 0.64 -0.01 0.13 -0.69 0.02 -1.25 -1.08 113.55 111.30 3dde h SER 155 Ca 0.17 -0.83 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 3dde h SER 155 Cb -0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3dde h SER 155 CO -0.04 0.86 -0.12 0.74 -1.14 0.00 0.00 176.83 177.13 3dde h THR 156 N -0.91 0.74 -0.26 -2.27 2.02 -1.25 -2.53 112.91 108.45 3dde h THR 156 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3dde h THR 156 Cb 0.84 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3dde h THR 156 CO 0.00 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.07 3dde n LEU 157 N -5.24 1.53 -4.07 2.58 4.77 -0.78 -4.94 117.00 110.85 3dde n LEU 157 Ca -0.08 -0.74 -0.44 0.00 -0.03 0.00 0.00 56.01 54.72 3dde n LEU 157 Cb 0.16 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.09 3dde n LEU 157 CO 0.31 0.37 -0.16 -0.67 -1.33 0.00 0.00 177.39 175.92 3dde n ASP 158 N 0.31 -3.76 -4.87 -1.43 -0.08 -0.95 -4.92 116.55 100.84 3dde n ASP 158 Ca 0.11 -1.21 -0.32 0.00 -1.51 0.00 0.00 54.79 51.86 3dde n ASP 158 Cb 0.25 -1.45 -0.05 0.00 2.34 0.00 0.00 41.12 42.21 3dde n ASP 158 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3dde s LEU 159 N -7.32 4.13 0.39 -2.67 1.43 -0.45 -5.03 118.68 109.16 3dde s LEU 159 Ca 0.46 0.97 0.08 0.00 -1.03 0.00 0.00 54.13 54.61 3dde s LEU 159 Cb -0.26 -3.75 -0.01 0.00 0.03 0.00 0.00 46.19 42.20 3dde s LEU 159 CO 0.90 -0.11 0.41 0.42 0.23 0.00 0.00 176.35 178.20 3dde s THR 160 N -1.88 3.06 0.64 5.49 -4.23 -1.26 -4.90 115.64 112.57 3dde s THR 160 Ca 0.48 -1.23 0.32 0.00 -1.18 0.00 0.00 61.69 60.08 3dde s THR 160 Cb -0.11 -3.08 0.32 0.00 1.34 0.00 0.00 72.50 70.98 3dde s THR 160 CO 0.21 -0.05 1.99 1.55 -0.54 0.00 0.00 174.62 177.78 3dde h PRO 161 N 0.97 0.00 -0.52 3.99 0.13 -2.02 -1.93 132.00 132.62 3dde h PRO 161 Ca -0.42 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.63 3dde h PRO 161 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 3dde h PRO 161 CO 0.54 0.00 0.01 1.96 -0.23 0.00 0.00 178.00 180.29 3dde h GLN 162 N 0.00 0.86 -2.03 0.86 1.08 -2.02 -3.09 115.11 110.77 3dde h GLN 162 Ca 0.00 -0.24 -0.58 0.00 -1.45 0.00 0.00 58.65 56.38 3dde h GLN 162 Cb 0.53 -0.10 -0.20 0.00 -0.05 0.00 0.00 27.48 27.67 3dde h GLN 162 CO 0.00 0.85 0.66 0.43 -0.95 0.00 0.00 178.83 179.83 3dde n SER 163 N -4.21 6.83 0.00 1.46 7.64 -0.73 -4.68 113.62 119.93 3dde n SER 163 Ca 0.03 -3.37 0.00 0.00 1.01 0.00 0.00 58.87 56.54 3dde n SER 163 Cb 0.30 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 3dde n SER 163 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3dde n LYS 165 N 0.55 0.00 -0.29 1.43 4.76 -1.17 -4.79 118.16 118.65 3dde n LYS 165 Ca 0.51 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.90 3dde n LYS 165 Cb 0.45 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.71 3dde n LYS 165 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3dde h PHE 166 N 0.00 1.07 -0.08 2.13 3.04 -1.94 -2.05 116.94 119.12 3dde h PHE 166 Ca 0.00 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.92 3dde h PHE 166 Cb 0.00 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.17 3dde h PHE 166 CO 0.00 0.75 0.00 1.19 -2.02 0.00 0.00 178.31 178.23 3dde n PHE 167 N -4.43 0.08 -0.06 0.41 3.72 -1.26 -3.55 117.46 112.37 3dde n PHE 167 Ca 0.07 -0.04 -0.07 0.00 -0.05 0.00 0.00 57.45 57.36 3dde n PHE 167 Cb 0.09 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.48 3dde n PHE 167 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3dde n ILE 168 N 0.45 1.34 0.12 4.37 2.08 -1.01 -3.84 119.36 122.86 3dde n ILE 168 Ca 0.18 -0.81 -0.13 0.00 0.56 0.00 0.00 62.75 62.55 3dde n ILE 168 Cb 0.40 -0.60 -0.08 0.00 -0.75 0.00 0.00 39.64 38.60 3dde n ILE 168 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3dde h ALA 169 N 1.10 -0.32 -0.90 -1.39 0.00 -1.50 -3.33 119.26 112.92 3dde h ALA 169 Ca -0.41 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 54.48 3dde h ALA 169 Cb 2.05 0.12 -0.17 0.00 0.00 0.00 0.00 17.79 19.80 3dde h ALA 169 CO 0.04 -0.48 -0.24 0.45 0.00 0.00 0.00 179.25 179.03 3dde h HIS 170 N -0.72 -0.52 -0.18 0.00 -0.00 -1.74 -2.38 115.15 109.61 3dde h HIS 170 Ca -0.03 0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 3dde h HIS 170 Cb 0.49 0.37 0.00 0.00 -0.00 0.00 0.00 27.41 28.27 3dde h HIS 170 CO 0.04 -0.39 0.00 0.45 -0.00 0.00 0.00 177.93 178.03 3dde n SER 171 N -5.57 0.97 0.02 2.45 2.88 -1.25 -2.47 113.62 110.65 3dde n SER 171 Ca 0.13 -2.00 -0.01 0.00 -1.33 0.00 0.00 58.87 55.66 3dde n SER 171 Cb 0.45 -0.13 -0.00 0.00 -0.75 0.00 0.00 64.21 63.78 3dde n SER 171 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3dde n LYS 172 N 0.02 0.04 -0.57 -1.46 5.02 -0.91 -4.74 118.16 115.56 3dde n LYS 172 Ca 0.06 0.01 0.06 0.00 -2.02 0.00 0.00 58.31 56.42 3dde n LYS 172 Cb 0.16 -0.37 0.28 0.00 -0.02 0.00 0.00 35.03 35.07 3dde n LYS 172 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3dde n ILE 173 N -3.14 1.71 0.32 -0.18 -0.00 -1.09 -3.56 119.36 113.43 3dde n ILE 173 Ca -0.01 -0.93 0.05 0.00 -0.00 0.00 0.00 62.75 61.86 3dde n ILE 173 Cb 0.03 -0.21 0.06 0.00 -0.00 0.00 0.00 39.64 39.53 3dde n ILE 173 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 3dde n ASP 174 N 0.56 2.05 0.13 4.38 9.92 -1.03 -3.38 116.55 129.18 3dde n ASP 174 Ca 0.19 -1.54 0.12 0.00 -0.53 0.00 0.00 54.79 53.03 3dde n ASP 174 Cb 0.83 -0.04 0.06 0.00 -0.64 0.00 0.00 41.12 41.33 3dde n ASP 174 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3dde h ALA 175 N 2.01 0.64 0.00 2.24 0.00 -1.75 -2.33 119.26 120.07 3dde h ALA 175 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3dde h ALA 175 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3dde h ALA 175 CO 0.00 0.00 -1.06 -0.22 0.00 0.00 0.00 179.25 177.97 3dde h LYS 176 N 0.00 0.00 -0.86 0.00 3.64 -1.77 -3.27 116.57 114.31 3dde h LYS 176 Ca 0.00 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3dde h LYS 176 Cb 0.98 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.75 3dde h LYS 176 CO 0.00 0.88 0.56 0.45 -2.27 0.00 0.00 179.45 179.07 3dde h HIS 177 N -1.00 0.96 -0.45 1.91 3.86 -1.68 0.30 115.15 119.05 3dde h HIS 177 Ca -0.28 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 58.96 3dde h HIS 177 Cb 1.18 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 29.31 3dde h HIS 177 CO 0.08 0.49 0.28 0.00 0.86 0.00 0.00 177.93 179.64 3dde h ALA 178 N 1.54 0.57 -0.77 2.45 0.00 -1.59 -0.31 119.26 121.16 3dde h ALA 178 Ca 0.38 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 3dde h ALA 178 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3dde h ALA 178 CO -0.14 0.05 0.28 1.05 0.00 0.00 0.00 179.25 180.48 3dde h GLU 179 N 0.60 1.17 -0.63 0.00 4.11 -1.29 -2.18 114.58 116.36 3dde h GLU 179 Ca 0.16 -0.23 -0.08 0.00 0.07 0.00 0.00 59.36 59.29 3dde h GLU 179 Cb -0.02 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 3dde h GLU 179 CO -0.03 0.96 0.08 0.93 0.07 0.00 0.00 179.01 181.02 3dde h GLU 180 N 1.13 1.05 -0.20 1.06 5.08 -0.68 -1.21 114.58 120.81 3dde h GLU 180 Ca 0.25 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3dde h GLU 180 Cb 0.25 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3dde h GLU 180 CO -0.02 0.99 0.06 0.28 -1.00 0.00 0.00 179.01 179.32 3dde h VAL 181 N 0.96 1.19 -0.55 3.13 2.07 -0.92 -3.15 116.25 118.99 3dde h VAL 181 Ca 0.19 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 67.11 3dde h VAL 181 Cb 0.46 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3dde h VAL 181 CO 0.02 0.19 0.36 0.78 0.02 0.00 0.00 177.57 178.94 3dde h ASN 182 N 0.15 0.62 0.00 0.57 4.21 -1.26 0.14 115.58 120.00 3dde h ASN 182 Ca 0.06 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.56 3dde h ASN 182 Cb 0.24 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 3dde h ASN 182 CO -0.00 0.45 0.00 -0.62 -1.29 0.00 0.00 177.43 175.97 3dde n GLU 183 N -4.71 0.09 0.00 0.81 4.71 -0.47 -2.07 120.64 119.00 3dde n GLU 183 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 3dde n GLU 183 Cb 0.02 -1.21 0.00 0.00 -1.01 0.00 0.00 31.44 29.24 3dde n GLU 183 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3dde n LEU 185 N 0.66 0.00 0.09 -4.62 4.77 0.47 -1.84 117.00 116.53 3dde n LEU 185 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 3dde n LEU 185 Cb 0.03 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.50 3dde n LEU 185 CO 0.00 0.00 0.93 0.45 -1.33 0.00 0.00 177.39 177.44 3dde h HIS 186 N 0.00 0.33 -0.04 -1.77 3.86 -1.68 -2.11 115.15 113.74 3dde h HIS 186 Ca 0.00 -0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.01 3dde h HIS 186 Cb 0.00 -0.10 0.01 0.00 1.06 0.00 0.00 27.41 28.38 3dde h HIS 186 CO 0.00 0.39 -0.63 1.49 0.86 0.00 0.00 177.93 180.04 3dde h GLU 187 N 0.31 0.50 0.00 2.45 4.57 -1.65 -3.37 114.58 117.40 3dde h GLU 187 Ca 0.07 -0.48 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 3dde h GLU 187 Cb 0.31 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3dde h GLU 187 CO 0.01 1.12 -1.03 1.33 -1.18 0.00 0.00 179.01 179.26 3dde n VAL 188 N -4.17 0.39 -2.75 0.32 0.24 -1.20 -4.79 118.33 106.37 3dde n VAL 188 Ca -0.09 -0.41 -0.42 0.00 -2.04 0.00 0.00 64.34 61.37 3dde n VAL 188 Cb 0.68 -0.12 -0.04 0.00 -1.47 0.00 0.00 33.84 32.89 3dde n VAL 188 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dde n LYS 190 N 7.96 0.92 -4.56 0.00 4.76 -1.26 -4.42 118.16 121.56 3dde n LYS 190 Ca 0.02 0.04 -0.26 0.00 -2.87 0.00 0.00 58.31 55.24 3dde n LYS 190 Cb 0.48 -1.46 -0.11 0.00 -1.84 0.00 0.00 35.03 32.10 3dde n LYS 190 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3dde s THR 191 N -2.44 1.85 0.31 -0.18 -4.23 -1.26 -4.95 115.64 104.73 3dde s THR 191 Ca -0.16 -2.05 0.14 0.00 -1.18 0.00 0.00 61.69 58.44 3dde s THR 191 Cb 0.06 -2.85 0.07 0.00 1.34 0.00 0.00 72.50 71.12 3dde s THR 191 CO 0.67 -0.06 1.75 -0.61 -0.54 0.00 0.00 174.62 175.82 3dde h GLN 192 N 1.93 0.00 -0.32 3.99 5.75 -1.95 -2.59 115.11 121.91 3dde h GLN 192 Ca -0.43 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.03 3dde h GLN 192 Cb 1.24 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.77 3dde h GLN 192 CO 0.76 0.45 0.02 0.93 -2.65 0.00 0.00 178.83 178.33 3dde h GLU 193 N 0.00 0.48 -0.24 1.69 3.07 -1.98 0.11 114.58 117.70 3dde h GLU 193 Ca -0.00 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.36 58.74 3dde h GLU 193 Cb 0.83 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 3dde h GLU 193 CO 0.06 0.50 0.05 -0.44 -1.40 0.00 0.00 179.01 177.78 3dde h ASP 194 N 0.47 0.38 -0.57 1.42 3.32 -1.88 -2.30 116.42 117.25 3dde h ASP 194 Ca 0.10 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3dde h ASP 194 Cb 0.28 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 3dde h ASP 194 CO 0.01 0.52 0.29 0.58 -1.72 0.00 0.00 179.24 178.92 3dde h VAL 195 N 0.22 1.20 -0.86 -1.35 2.07 -1.26 -2.60 116.25 113.66 3dde h VAL 195 Ca 0.08 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3dde h VAL 195 Cb 0.29 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 3dde h VAL 195 CO 0.00 0.22 0.54 0.44 0.02 0.00 0.00 177.57 178.79 3dde h ASP 196 N 0.77 1.02 -0.28 0.57 3.32 -0.75 -0.76 116.42 120.30 3dde h ASP 196 Ca 0.20 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.09 3dde h ASP 196 Cb 0.08 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3dde h ASP 196 CO -0.03 0.76 -0.24 0.77 -1.72 0.00 0.00 179.24 178.79 3dde h SER 197 N 1.18 0.78 -0.39 6.45 4.64 -1.19 -0.64 113.55 124.39 3dde h SER 197 Ca 0.31 -0.29 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 3dde h SER 197 Cb -0.09 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.77 3dde h SER 197 CO -0.06 0.99 0.17 0.58 -0.87 0.00 0.00 176.83 177.63 3dde h VAL 198 N 0.67 1.18 -0.63 0.95 2.07 -1.06 -2.20 116.25 117.23 3dde h VAL 198 Ca 0.09 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 3dde h VAL 198 Cb 0.75 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3dde h VAL 198 CO 0.06 0.20 0.08 0.58 0.02 0.00 0.00 177.57 178.51 3dde h VAL 199 N 0.48 1.26 -0.58 2.57 2.07 -0.96 -3.04 116.25 118.06 3dde h VAL 199 Ca 0.13 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 3dde h VAL 199 Cb 0.16 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3dde h VAL 199 CO -0.01 0.39 0.29 0.00 0.02 0.00 0.00 177.57 178.26 3dde h ALA 200 N 1.02 0.75 0.00 1.67 0.00 -1.05 -1.77 119.26 119.88 3dde h ALA 200 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dde h ALA 200 Cb 0.46 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3dde h ALA 200 CO 0.02 0.30 0.00 0.28 0.00 0.00 0.00 179.25 179.85 3dde n VAL 201 N -4.55 0.73 0.00 0.00 0.31 -0.83 -1.91 118.33 112.07 3dde n VAL 201 Ca 0.03 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3dde n VAL 201 Cb 0.11 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 3dde n VAL 201 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3dde n GLU 203 N 0.81 0.00 -0.03 5.55 1.02 -0.67 -0.96 120.64 126.36 3dde n GLU 203 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 3dde n GLU 203 Cb 0.32 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.69 3dde n GLU 203 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 3dde h ASN 204 N 0.00 0.91 -0.55 1.62 -1.24 -1.64 -0.54 115.58 114.14 3dde h ASN 204 Ca 0.00 -0.57 0.01 0.00 0.71 0.00 0.00 56.30 56.45 3dde h ASN 204 Cb 0.00 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 38.76 3dde h ASN 204 CO 0.00 1.36 0.37 0.77 -1.29 0.00 0.00 177.43 178.64 3dde h SER 205 N 0.55 0.64 0.01 1.15 4.64 -1.29 0.83 113.55 120.07 3dde h SER 205 Ca -0.03 -0.02 -0.24 0.00 -0.47 0.00 0.00 61.79 61.03 3dde h SER 205 Cb 1.33 -0.16 0.02 0.00 -0.31 0.00 0.00 62.40 63.28 3dde h SER 205 CO 0.15 0.46 -0.96 0.25 -0.87 0.00 0.00 176.83 175.86 3dde h LEU 206 N 0.75 0.83 -0.56 5.97 5.85 -1.73 -1.20 115.31 125.22 3dde h LEU 206 Ca 0.20 -0.75 0.05 0.00 0.84 0.00 0.00 57.88 58.23 3dde h LEU 206 Cb -0.09 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.64 3dde h LEU 206 CO -0.04 1.47 0.28 0.58 -0.34 0.00 0.00 178.44 180.39 3dde h VAL 207 N 0.28 0.94 -0.20 1.05 2.07 -0.71 -0.92 116.25 118.75 3dde h VAL 207 Ca -0.12 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.09 3dde h VAL 207 Cb 1.63 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3dde h VAL 207 CO 0.19 0.10 -0.41 -0.07 0.02 0.00 0.00 177.57 177.40 3dde h LEU 208 N 0.54 0.48 -0.78 2.57 3.38 -0.81 -2.50 115.31 118.19 3dde h LEU 208 Ca 0.25 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3dde h LEU 208 Cb 0.17 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3dde h LEU 208 CO -0.18 0.84 -0.15 0.74 0.09 0.00 0.00 178.44 179.78 3dde h THR 209 N 0.38 1.26 -0.38 0.22 2.02 -0.92 -2.83 112.91 112.66 3dde h THR 209 Ca 0.03 -1.22 -0.05 0.00 0.77 0.00 0.00 66.41 65.95 3dde h THR 209 Cb 0.88 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 3dde h THR 209 CO 0.07 0.41 0.03 0.00 0.37 0.00 0.00 175.52 176.41 3dde h ALA 210 N 1.15 1.35 0.00 6.16 0.00 -0.86 -2.02 119.26 125.04 3dde h ALA 210 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3dde h ALA 210 Cb 0.63 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3dde h ALA 210 CO 0.04 0.45 -0.08 0.00 0.00 0.00 0.00 179.25 179.66 3dde h ARG 211 N 0.56 0.00 -0.61 0.00 3.08 -1.20 -2.27 114.38 113.94 3dde h ARG 211 Ca 0.12 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 3dde h ARG 211 Cb 0.31 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3dde h ARG 211 CO 0.01 0.08 0.17 0.82 -1.07 0.00 0.00 179.97 179.98 3dde h ILE 212 N 0.00 1.25 -0.85 2.04 2.04 -1.33 -2.07 117.51 118.58 3dde h ILE 212 Ca -0.00 -0.88 0.07 0.00 1.00 0.00 0.00 64.86 65.05 3dde h ILE 212 Cb 0.27 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 3dde h ILE 212 CO 0.01 0.33 0.56 -0.07 0.00 0.00 0.00 178.15 178.98 3dde h LEU 213 N 0.88 0.81 -0.32 1.44 3.38 -1.47 0.13 115.31 120.17 3dde h LEU 213 Ca 0.19 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 3dde h LEU 213 Cb 0.33 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3dde h LEU 213 CO -0.00 0.51 -0.11 0.44 0.09 0.00 0.00 178.44 179.37 3dde h ASP 214 N 0.91 0.64 -0.51 -0.43 3.32 -1.46 -0.98 116.42 117.92 3dde h ASP 214 Ca 0.37 -0.38 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3dde h ASP 214 Cb 0.27 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3dde h ASP 214 CO -0.14 0.88 0.06 0.44 -1.72 0.00 0.00 179.24 178.75 3dde h ASP 215 N 0.40 0.83 -0.56 6.45 5.19 -0.89 -1.74 116.42 126.10 3dde h ASP 215 Ca 0.08 -0.28 0.03 0.00 -0.62 0.00 0.00 57.03 56.24 3dde h ASP 215 Cb 0.61 -0.22 -0.04 0.00 0.18 0.00 0.00 39.33 39.87 3dde h ASP 215 CO 0.04 0.90 0.33 0.58 -3.12 0.00 0.00 179.24 177.97 3dde h VAL 216 N 0.73 1.05 -0.06 -1.35 2.07 -0.69 -1.90 116.25 116.10 3dde h VAL 216 Ca 0.15 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3dde h VAL 216 Cb 0.44 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3dde h VAL 216 CO 0.01 0.12 0.01 -0.25 0.02 0.00 0.00 177.57 177.49 3dde h TRP 217 N 0.66 0.11 -0.38 1.57 2.91 -1.07 -1.43 115.95 118.32 3dde h TRP 217 Ca 0.23 -0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.30 3dde h TRP 217 Cb 0.04 -0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 28.60 3dde h TRP 217 CO -0.06 0.32 0.02 -0.22 -1.03 0.00 0.00 178.44 177.48 3dde h LYS 218 N -0.14 0.13 -0.02 2.65 1.63 -1.20 -1.19 116.57 118.43 3dde h LYS 218 Ca 0.02 -0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.74 3dde h LYS 218 Cb 0.27 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 3dde h LYS 218 CO 0.00 0.08 -0.34 0.93 -3.45 0.00 0.00 179.45 176.67 3dde h GLU 219 N 0.13 0.03 -0.40 1.90 4.39 -1.32 -1.80 114.58 117.52 3dde h GLU 219 Ca 0.18 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.75 3dde h GLU 219 Cb 0.25 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3dde h GLU 219 CO -0.29 0.37 -0.23 -0.92 -1.16 0.00 0.00 179.01 176.78 3dde h TYR 220 N 0.03 0.91 -0.03 4.33 3.20 -0.40 -0.67 116.97 124.34 3dde h TYR 220 Ca 0.00 -0.21 -0.03 0.00 3.14 0.00 0.00 58.73 61.63 3dde h TYR 220 Cb 0.62 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.67 3dde h TYR 220 CO 0.00 0.95 -0.08 1.96 -1.64 0.00 0.00 178.16 179.35 3dde h GLN 221 N 0.70 0.11 -0.08 1.82 4.20 -0.93 -3.03 115.11 117.90 3dde h GLN 221 Ca 0.09 -0.08 0.02 0.00 0.06 0.00 0.00 58.65 58.75 3dde h GLN 221 Cb 0.75 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.54 3dde h GLN 221 CO 0.06 0.67 0.07 -0.07 -0.67 0.00 0.00 178.83 178.89 3dde h LEU 222 N -0.42 0.00 -1.66 1.46 4.07 -1.37 -2.79 115.31 114.59 3dde h LEU 222 Ca 0.00 0.00 0.24 0.00 0.08 0.00 0.00 57.88 58.20 3dde h LEU 222 Cb 0.67 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.35 3dde h LEU 222 CO 0.02 0.00 0.64 0.15 -1.08 0.00 0.00 178.44 178.17 3dde h PHE 223 N 0.00 0.36 -2.83 1.13 3.57 -0.98 -0.68 116.94 117.51 3dde h PHE 223 Ca 0.04 0.01 -0.74 0.00 3.53 0.00 0.00 57.97 60.81 3dde h PHE 223 Cb 0.17 -0.11 -0.21 0.00 2.79 0.00 0.00 35.95 38.59 3dde h PHE 223 CO 0.00 0.07 0.75 1.14 -2.23 0.00 0.00 178.31 178.04 3dde s GLN 224 N -5.27 3.81 0.00 1.11 0.00 -1.05 -4.71 119.66 113.55 3dde s GLN 224 Ca -0.07 -2.34 0.00 0.00 -0.00 0.00 0.00 55.36 52.95 3dde s GLN 224 Cb 0.23 -4.79 0.00 0.00 0.00 0.00 0.00 33.01 28.45 3dde s GLN 224 CO 0.78 -1.59 0.00 0.43 0.00 0.00 0.00 175.29 174.92 3dde n SER 225 N 5.18 0.00 -0.22 12.60 7.64 -1.22 -4.95 113.62 132.66 3dde n SER 225 Ca 0.25 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 60.08 3dde n SER 225 Cb 0.46 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 3dde n SER 225 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dde n GLY 226 N 0.00 -1.31 3.21 0.23 0.00 -0.29 -4.66 105.19 102.37 3dde n GLY 226 Ca 0.00 0.62 -0.18 0.00 0.00 0.00 0.00 46.02 46.46 3dde n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dde s ALA 227 N -5.33 1.35 -1.45 4.61 0.00 -1.04 -5.01 121.76 114.90 3dde s ALA 227 Ca -0.07 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 50.76 3dde s ALA 227 Cb 0.07 -0.08 0.14 0.00 0.00 0.00 0.00 23.12 23.24 3dde s ALA 227 CO 0.34 0.13 0.92 0.43 0.00 0.00 0.00 175.76 177.58 3dde n SER 228 N 0.86 1.29 0.27 0.00 7.64 -1.26 -4.45 113.62 117.98 3dde n SER 228 Ca -0.18 -2.08 0.16 0.00 1.01 0.00 0.00 58.87 57.77 3dde n SER 228 Cb 0.56 -0.31 0.89 0.00 -1.01 0.00 0.00 64.21 64.34 3dde n SER 228 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 3dde h ASP 229 N 0.77 0.00 -3.86 6.43 1.82 -1.95 -3.46 116.42 116.17 3dde h ASP 229 Ca 0.00 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 56.13 3dde h ASP 229 Cb 0.47 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 40.35 3dde h ASP 229 CO 0.04 0.00 -0.53 -0.13 -1.61 0.00 0.00 179.24 177.02 3dde s ARG 230 N -4.64 1.82 -0.25 0.28 0.52 -1.26 -5.16 118.95 110.27 3dde s ARG 230 Ca -0.05 -2.08 -0.03 0.00 -0.52 0.00 0.00 55.73 53.05 3dde s ARG 230 Cb 0.15 -0.39 0.08 0.00 0.52 0.00 0.00 34.95 35.32 3dde s ARG 230 CO 0.55 -0.48 0.09 1.52 0.02 0.00 0.00 175.30 177.00 3dde s TYR 231 N -3.34 0.74 -0.81 -0.53 -0.85 -1.26 -5.12 117.35 106.18 3dde s TYR 231 Ca 0.29 -0.93 -0.19 0.00 -0.52 0.00 0.00 57.07 55.72 3dde s TYR 231 Cb 0.03 -1.05 0.13 0.00 0.38 0.00 0.00 41.96 41.45 3dde s TYR 231 CO 0.17 -0.72 0.99 0.00 -1.52 0.00 0.00 175.55 174.47 3dde s ALA 232 N 1.95 3.41 0.00 9.51 0.00 -1.26 -5.09 121.76 130.28 3dde s ALA 232 Ca 0.05 -2.58 0.00 0.00 0.00 0.00 0.00 51.96 49.44 3dde s ALA 232 Cb -0.17 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.08 3dde s ALA 232 CO -0.22 -2.77 0.00 1.19 0.00 0.00 0.00 175.76 173.96