#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 0.09 -3.25 2.46 2.10 -1.86 -3.46 117.51 113.59 3dde h ILE 3 Ca 0.00 -1.15 -0.57 0.00 1.08 0.00 0.00 64.86 64.22 3dde h ILE 3 Cb 0.00 1.72 -0.05 0.00 -1.09 0.00 0.00 36.82 37.41 3dde h ILE 3 CO 0.00 0.05 -0.04 -0.51 -1.08 0.00 0.00 178.15 176.57 3dde s ILE 4 N -3.26 4.82 -0.44 2.19 2.07 -1.26 -5.03 121.20 120.28 3dde s ILE 4 Ca 0.01 1.20 -0.06 0.00 -1.41 0.00 0.00 60.65 60.39 3dde s ILE 4 Cb 0.08 -3.90 0.11 0.00 0.13 0.00 0.00 42.46 38.89 3dde s ILE 4 CO 0.76 0.50 0.28 -0.62 -1.91 0.00 0.00 174.94 173.95 3dde s ASP 5 N -0.75 5.51 0.45 4.50 2.15 -1.26 -4.97 116.67 122.30 3dde s ASP 5 Ca 0.29 -1.94 0.30 0.00 0.43 0.00 0.00 52.55 51.63 3dde s ASP 5 Cb -0.19 -1.93 1.20 0.00 -0.30 0.00 0.00 42.92 41.70 3dde s ASP 5 CO 0.18 -0.62 1.89 -0.07 -0.17 0.00 0.00 175.17 176.37 3dde h LEU 6 N 8.28 0.00 -0.85 -1.34 3.38 -2.00 -2.32 115.31 120.46 3dde h LEU 6 Ca -0.18 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.68 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 0.79 0.00 -0.40 0.71 0.09 0.00 0.00 178.44 179.63 3dde h THR 7 N 0.00 1.30 -0.46 0.22 1.35 -1.98 -0.01 112.91 113.33 3dde h THR 7 Ca 0.00 -1.52 -0.09 0.00 -0.55 0.00 0.00 66.41 64.25 3dde h THR 7 Cb 0.49 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.51 3dde h THR 7 CO 0.00 0.47 -0.04 0.11 -0.25 0.00 0.00 175.52 175.80 3dde h LYS 8 N 0.31 0.85 -0.18 4.72 6.56 -1.85 -0.87 116.57 126.10 3dde h LYS 8 Ca 0.03 -0.29 -0.01 0.00 -1.06 0.00 0.00 60.65 59.31 3dde h LYS 8 Cb 0.84 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.42 3dde h LYS 8 CO 0.07 0.92 0.06 -0.07 -2.06 0.00 0.00 179.45 178.37 3dde h LEU 9 N 0.69 0.27 -1.10 2.94 4.07 -1.45 -2.41 115.31 118.32 3dde h LEU 9 Ca 0.13 -0.20 0.11 0.00 0.08 0.00 0.00 57.88 58.00 3dde h LEU 9 Cb 0.57 -0.07 -0.08 0.00 1.08 0.00 0.00 40.66 42.16 3dde h LEU 9 CO 0.03 0.39 0.61 -0.08 -1.08 0.00 0.00 178.44 178.32 3dde h GLU 10 N 0.13 0.91 -0.57 1.13 4.81 -0.88 -1.18 114.58 118.93 3dde h GLU 10 Ca 0.06 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 3dde h GLU 10 Cb 0.22 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3dde h GLU 10 CO -0.00 0.60 0.02 1.96 -0.73 0.00 0.00 179.01 180.86 3dde h GLN 11 N 0.94 0.99 -0.31 1.92 4.20 -0.95 -1.27 115.11 120.62 3dde h GLN 11 Ca 0.47 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 3dde h GLN 11 Cb 0.48 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3dde h GLN 11 CO -0.23 0.98 0.09 0.87 -0.67 0.00 0.00 178.83 179.87 3dde h LYS 12 N 0.87 0.48 -0.63 1.46 1.57 -0.87 -2.23 116.57 117.22 3dde h LYS 12 Ca 0.16 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3dde h LYS 12 Cb 0.52 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 3dde h LYS 12 CO 0.03 0.53 0.41 0.28 -0.57 0.00 0.00 179.45 180.13 3dde h VAL 13 N 0.34 1.17 -0.86 0.50 2.07 -1.14 -2.63 116.25 115.69 3dde h VAL 13 Ca 0.10 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3dde h VAL 13 Cb 0.26 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 3dde h VAL 13 CO -0.00 0.16 0.53 0.00 0.02 0.00 0.00 177.57 178.28 3dde h ALA 14 N 1.22 1.30 0.00 1.67 0.00 -1.11 -1.14 119.26 121.20 3dde h ALA 14 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3dde h ALA 14 Cb -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.35 3dde h ALA 14 CO -0.05 0.61 0.00 2.41 0.00 0.00 0.00 179.25 182.22 3dde n THR 15 N -4.37 0.04 0.00 0.00 -1.04 -0.85 -2.23 114.28 105.83 3dde n THR 15 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3dde n THR 15 Cb 0.06 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 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 0.42 0.00 -0.30 -1.42 7.02 -0.43 -2.61 117.44 120.12 3dde n TRP 17 Ca 0.00 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.55 3dde n TRP 17 Cb 0.09 0.00 0.22 0.00 -2.42 0.00 0.00 31.31 29.20 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 0.58 -0.11 -0.99 3.58 -1.70 0.12 116.42 117.90 3dde h ASP 18 Ca 0.00 0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 3dde h ASP 18 Cb 0.00 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.04 3dde h ASP 18 CO 0.00 0.25 -0.06 -1.28 -2.88 0.00 0.00 179.24 175.27 3dde h SER 19 N 0.67 0.24 -0.67 2.28 0.87 -1.79 -1.87 113.55 113.28 3dde h SER 19 Ca 0.46 -0.43 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3dde h SER 19 Cb 0.63 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.48 3dde h SER 19 CO -0.35 0.62 0.43 0.40 -0.53 0.00 0.00 176.83 177.40 3dde h ILE 20 N -0.13 1.13 -0.01 2.23 2.04 -1.70 -1.36 117.51 119.72 3dde h ILE 20 Ca 0.02 -0.30 -0.17 0.00 1.00 0.00 0.00 64.86 65.42 3dde h ILE 20 Cb 0.53 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3dde h ILE 20 CO 0.02 0.16 -0.78 -0.07 0.00 0.00 0.00 178.15 177.48 3dde h LEU 21 N 0.87 0.14 -0.12 1.44 3.38 -0.82 -1.13 115.31 119.06 3dde h LEU 21 Ca 0.26 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 3dde h LEU 21 Cb -0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3dde h LEU 21 CO -0.08 0.86 -0.64 0.74 0.09 0.00 0.00 178.44 179.41 3dde h THR 22 N 0.07 1.14 0.00 0.22 2.02 -1.13 -3.37 112.91 111.85 3dde h THR 22 Ca -0.02 -2.51 0.00 0.00 0.77 0.00 0.00 66.41 64.64 3dde h THR 22 Cb 1.36 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 70.27 3dde h THR 22 CO 0.11 0.63 -1.24 0.59 0.37 0.00 0.00 175.52 175.98 3dde n ASN 23 N -3.31 1.30 -4.66 4.18 3.02 -0.53 -4.96 115.26 110.29 3dde n ASN 23 Ca 0.01 -0.34 -0.43 0.00 -0.03 0.00 0.00 54.58 53.79 3dde n ASN 23 Cb 0.77 1.38 -0.02 0.00 -0.61 0.00 0.00 39.78 41.30 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 -3.09 6.95 0.42 6.41 0.15 -0.43 -4.90 113.70 119.21 3dde s SER 24 Ca -0.01 1.62 0.12 0.00 0.70 0.00 0.00 55.95 58.39 3dde s SER 24 Cb 0.10 -2.54 0.91 0.00 -1.71 0.00 0.00 66.02 62.78 3dde s SER 24 CO 0.58 -0.77 1.96 -0.65 1.20 0.00 0.00 173.24 175.56 3dde h PRO 25 N 8.18 0.10 -0.02 5.44 0.11 -1.93 -2.37 132.00 141.51 3dde h PRO 25 Ca -0.25 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.85 3dde h PRO 25 Cb 1.10 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3dde h PRO 25 CO 0.98 0.26 -0.08 0.35 -0.21 0.00 0.00 178.00 179.29 3dde h PHE 26 N 0.09 -0.21 -0.81 0.65 3.57 -1.90 -0.71 116.94 117.62 3dde h PHE 26 Ca 0.02 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3dde h PHE 26 Cb 0.34 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 3dde h PHE 26 CO 0.00 -0.13 0.39 0.82 -2.23 0.00 0.00 178.31 177.16 3dde h ILE 27 N -0.14 1.25 -0.50 1.41 1.08 -1.83 -2.37 117.51 116.42 3dde h ILE 27 Ca 0.04 -0.70 -0.10 0.00 -0.39 0.00 0.00 64.86 63.71 3dde h ILE 27 Cb 0.19 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 34.15 3dde h ILE 27 CO -0.10 0.30 -0.08 0.45 -0.69 0.00 0.00 178.15 178.03 3dde h HIS 28 N 1.14 1.03 -0.59 1.37 3.86 -1.23 -0.71 115.15 120.02 3dde h HIS 28 Ca 0.28 -0.21 0.07 0.00 -1.16 0.00 0.00 60.37 59.35 3dde h HIS 28 Cb 0.12 -0.26 -0.06 0.00 1.06 0.00 0.00 27.41 28.27 3dde h HIS 28 CO 0.01 0.98 0.27 1.49 0.86 0.00 0.00 177.93 181.54 3dde h GLU 29 N 0.79 0.48 0.05 2.45 4.57 -0.84 0.75 114.58 122.82 3dde h GLU 29 Ca 0.13 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 3dde h GLU 29 Cb 0.62 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 3dde h GLU 29 CO 0.04 0.32 -0.02 0.28 -1.18 0.00 0.00 179.01 178.44 3dde h VAL 30 N 0.49 1.13 -0.07 0.32 2.07 -1.21 -2.10 116.25 116.88 3dde h VAL 30 Ca 0.28 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3dde h VAL 30 Cb 0.27 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3dde h VAL 30 CO -0.24 0.15 -0.15 -0.07 0.02 0.00 0.00 177.57 177.28 3dde h LEU 31 N -0.33 0.11 0.00 2.57 3.38 -0.70 -3.41 115.31 116.93 3dde h LEU 31 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3dde h LEU 31 Cb 0.30 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3dde h LEU 31 CO 0.01 0.28 0.00 -0.67 0.09 0.00 0.00 178.44 178.15 3dde n ASP 32 N -4.30 0.00 0.00 -0.43 2.03 0.26 -5.02 116.55 109.09 3dde n ASP 32 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 3dde n ASP 32 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 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 3.74 0.00 3.65 0.27 0.00 -1.24 -4.60 105.19 107.01 3dde n GLY 33 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 0.23 0.53 1.61 1.02 -0.80 -4.97 119.74 117.36 3dde s LYS 34 Ca 0.00 0.32 -0.19 0.00 0.02 0.00 0.00 55.97 56.12 3dde s LYS 34 Cb 0.00 0.08 -0.06 0.00 -0.52 0.00 0.00 37.83 37.33 3dde s LYS 34 CO 0.00 -0.04 1.07 0.00 -0.92 0.00 0.00 175.35 175.47 3dde s ALA 35 N 0.60 2.78 0.29 5.17 0.00 -1.25 -4.81 121.76 124.54 3dde s ALA 35 Ca -0.01 0.63 0.04 0.00 0.00 0.00 0.00 51.96 52.62 3dde s ALA 35 Cb -0.04 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 3dde s ALA 35 CO -0.12 -0.58 0.03 0.95 0.00 0.00 0.00 175.76 176.04 3dde s THR 36 N -2.02 1.18 0.18 0.00 -4.23 -1.26 -4.76 115.64 104.74 3dde s THR 36 Ca 0.68 -2.03 -0.13 0.00 -1.18 0.00 0.00 61.69 59.03 3dde s THR 36 Cb -0.19 -2.63 0.08 0.00 1.34 0.00 0.00 72.50 71.10 3dde s THR 36 CO 0.26 -0.12 1.85 0.11 -0.54 0.00 0.00 174.62 176.18 3dde h LYS 37 N 2.24 0.75 -0.53 3.99 6.56 -1.98 -2.16 116.57 125.44 3dde h LYS 37 Ca -0.40 -0.05 0.03 0.00 -1.06 0.00 0.00 60.65 59.18 3dde h LYS 37 Cb 1.24 -0.17 -0.04 0.00 -0.57 0.00 0.00 32.23 32.69 3dde h LYS 37 CO 0.68 0.50 0.30 0.00 -2.06 0.00 0.00 179.45 178.87 3dde h ALA 38 N 1.21 0.69 -0.41 3.86 0.00 -1.97 -0.47 119.26 122.17 3dde h ALA 38 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3dde h ALA 38 Cb -0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3dde h ALA 38 CO -0.05 -0.01 0.23 1.25 0.00 0.00 0.00 179.25 180.67 3dde h LEU 39 N 0.59 0.51 -0.63 0.00 5.85 -1.88 -0.55 115.31 119.19 3dde h LEU 39 Ca 0.22 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 3dde h LEU 39 Cb 0.08 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3dde h LEU 39 CO -0.13 0.44 0.12 0.22 -0.34 0.00 0.00 178.44 178.75 3dde h TYR 40 N 0.53 1.10 -0.29 1.25 3.20 -1.09 -2.30 116.97 119.37 3dde h TYR 40 Ca 0.14 -0.15 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3dde h TYR 40 Cb 0.04 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 3dde h TYR 40 CO -0.03 0.93 -0.01 0.00 -1.64 0.00 0.00 178.16 177.41 3dde h ALA 41 N 1.04 0.40 -0.43 1.82 0.00 -0.86 -3.03 119.26 118.20 3dde h ALA 41 Ca 0.19 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3dde h ALA 41 Cb 0.42 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3dde h ALA 41 CO 0.01 0.16 0.16 0.82 0.00 0.00 0.00 179.25 180.39 3dde h ILE 42 N 0.31 0.87 0.00 0.00 2.04 -1.03 0.12 117.51 119.82 3dde h ILE 42 Ca 0.08 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3dde h ILE 42 Cb 0.45 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3dde h ILE 42 CO 0.02 0.06 0.00 0.00 0.00 0.00 0.00 178.15 178.23 3dde n TYR 43 N -5.00 0.00 0.00 1.37 9.36 -0.87 -2.71 117.16 119.30 3dde n TYR 43 Ca 0.03 -0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3dde n TYR 43 Cb 0.16 -0.05 0.00 0.00 -0.63 0.00 0.00 39.34 38.82 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 0.56 0.00 0.01 2.97 -1.04 0.03 -2.21 114.28 114.60 3dde n THR 45 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 3dde n THR 45 Cb 0.06 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.65 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 0.53 -0.81 -2.82 4.39 -1.77 -2.05 114.58 112.05 3dde h GLU 46 Ca 0.00 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.37 3dde h GLU 46 Cb 0.00 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 3dde h GLU 46 CO 0.00 0.92 0.48 1.15 -1.16 0.00 0.00 179.01 180.40 3dde h THR 47 N 0.42 1.23 -0.24 1.13 2.02 -1.74 -2.27 112.91 113.45 3dde h THR 47 Ca 0.01 -0.52 0.02 0.00 0.77 0.00 0.00 66.41 66.69 3dde h THR 47 Cb 1.04 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 3dde h THR 47 CO 0.10 0.24 0.11 0.22 0.37 0.00 0.00 175.52 176.56 3dde h TYR 48 N 1.12 0.21 -0.41 3.16 3.20 -1.78 -0.69 116.97 121.78 3dde h TYR 48 Ca 0.29 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.19 3dde h TYR 48 Cb -0.03 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 3dde h TYR 48 CO -0.00 0.12 0.24 0.45 -1.64 0.00 0.00 178.16 177.32 3dde h HIS 49 N 0.25 0.45 0.08 -3.82 3.86 -0.83 -1.96 115.15 113.18 3dde h HIS 49 Ca 0.10 0.01 -0.26 0.00 -1.16 0.00 0.00 60.37 59.07 3dde h HIS 49 Cb 0.04 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 3dde h HIS 49 CO -0.10 0.26 -1.22 0.10 0.86 0.00 0.00 177.93 177.83 3dde h TYR 50 N 0.48 0.31 -0.43 2.45 -0.00 -1.39 -3.31 116.97 115.08 3dde h TYR 50 Ca 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 58.73 58.64 3dde h TYR 50 Cb 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 36.73 36.71 3dde h TYR 50 CO -0.07 1.19 0.14 1.15 -0.00 0.00 0.00 178.16 180.58 3dde h THR 51 N 0.05 1.18 -0.88 -0.90 2.02 -1.09 -2.14 112.91 111.15 3dde h THR 51 Ca -0.12 -0.58 0.26 0.00 0.77 0.00 0.00 66.41 66.74 3dde h THR 51 Cb 1.92 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 68.98 3dde h THR 51 CO 0.17 0.22 0.66 0.50 0.37 0.00 0.00 175.52 177.44 3dde h LYS 52 N 0.62 0.00 -0.01 6.66 3.64 -1.44 -2.31 116.57 123.73 3dde h LYS 52 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3dde h LYS 52 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3dde h LYS 52 CO -0.01 0.00 -0.78 0.72 -2.27 0.00 0.00 179.45 177.11 3dde n HIS 53 N -4.16 0.00 -0.19 1.91 8.25 -0.81 -4.65 115.22 115.57 3dde n HIS 53 Ca 0.18 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.57 3dde n HIS 53 Cb 0.98 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 32.10 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 0.94 0.73 -0.80 0.41 2.35 -1.45 -0.85 115.58 116.91 3dde h ASN 54 Ca 0.00 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3dde h ASN 54 Cb 0.60 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.74 3dde h ASN 54 CO 0.00 0.67 0.50 0.00 -1.65 0.00 0.00 177.43 176.95 3dde h ALA 55 N 1.09 1.02 0.03 -0.83 0.00 -1.82 -1.91 119.26 116.83 3dde h ALA 55 Ca 0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3dde h ALA 55 Cb 0.14 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3dde h ALA 55 CO -0.02 0.47 -0.01 0.87 0.00 0.00 0.00 179.25 180.55 3dde h LYS 56 N 1.09 -0.03 0.00 0.00 1.57 -1.71 -1.45 116.57 116.03 3dde h LYS 56 Ca 0.29 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.01 3dde h LYS 56 Cb -0.07 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3dde h LYS 56 CO -0.06 0.34 -0.28 -2.95 -0.57 0.00 0.00 179.45 175.94 3dde h ASN 57 N -0.41 0.00 -0.25 0.86 7.08 -1.19 -1.67 115.58 120.00 3dde h ASN 57 Ca -0.00 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 53.15 3dde h ASN 57 Cb 0.39 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.62 3dde h ASN 57 CO 0.01 0.28 -0.09 -0.61 -2.08 0.00 0.00 177.43 174.93 3dde h GLN 58 N 0.00 0.50 -0.56 4.14 5.75 -1.30 -2.90 115.11 120.74 3dde h GLN 58 Ca -0.00 -0.20 -0.00 0.00 -0.15 0.00 0.00 58.65 58.29 3dde h GLN 58 Cb 0.66 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.16 3dde h GLN 58 CO 0.04 0.74 0.34 0.00 -2.65 0.00 0.00 178.83 177.30 3dde h ALA 59 N 0.74 1.55 -0.50 3.38 0.00 -1.00 -2.89 119.26 120.54 3dde h ALA 59 Ca 0.06 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3dde h ALA 59 Cb 0.57 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3dde h ALA 59 CO 0.03 0.40 0.33 1.25 0.00 0.00 0.00 179.25 181.26 3dde h LEU 60 N 0.77 0.54 -0.97 0.00 5.85 -1.11 -1.51 115.31 118.88 3dde h LEU 60 Ca 0.20 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.96 3dde h LEU 60 Cb -0.04 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 3dde h LEU 60 CO -0.04 0.39 0.63 0.58 -0.34 0.00 0.00 178.44 179.66 3dde h VAL 61 N 0.64 1.14 0.00 1.05 2.07 -1.43 -2.45 116.25 117.27 3dde h VAL 61 Ca 0.19 -0.41 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 3dde h VAL 61 Cb -0.01 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.58 3dde h VAL 61 CO -0.05 0.22 -0.40 1.23 0.02 0.00 0.00 177.57 178.59 3dde h GLY 62 N 1.20 0.00 -0.49 2.17 0.00 -1.39 0.12 103.07 104.69 3dde h GLY 62 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3dde h GLY 62 CO -0.14 0.00 0.00 1.39 0.00 0.00 0.00 176.54 177.79 3dde n ILE 63 N -3.87 0.17 -0.87 2.60 5.41 -0.92 -4.98 119.36 116.90 3dde n ILE 63 Ca -0.01 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.58 3dde n ILE 63 Cb 0.46 0.03 0.00 0.00 -0.71 0.00 0.00 39.64 39.42 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 0.63 0.00 3.71 7.39 0.00 0.42 -5.12 105.19 112.22 3dde n GLY 65 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.29 4.01 -1.17 1.61 1.02 -1.26 -4.64 119.74 117.02 3dde s LYS 66 Ca 0.00 -0.26 -0.23 0.00 0.02 0.00 0.00 55.97 55.50 3dde s LYS 66 Cb 0.00 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 3dde s LYS 66 CO 0.00 0.35 0.76 -0.25 -0.92 0.00 0.00 175.35 175.29 3dde n ASP 67 N 3.33 -4.86 -4.81 2.83 8.00 -1.26 -4.93 116.55 114.84 3dde n ASP 67 Ca -0.17 -1.07 -0.36 0.00 0.71 0.00 0.00 54.79 53.90 3dde n ASP 67 Cb 0.52 -3.03 -0.06 0.00 -0.02 0.00 0.00 41.12 38.53 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 4.28 0.46 0.64 1.43 -1.26 -5.01 118.68 112.53 3dde s LEU 68 Ca 0.46 1.52 -0.22 0.00 -1.03 0.00 0.00 54.13 54.86 3dde s LEU 68 Cb -0.18 -3.82 -0.10 0.00 0.03 0.00 0.00 46.19 42.12 3dde s LEU 68 CO 0.88 -0.05 0.90 -2.65 0.23 0.00 0.00 176.35 175.67 3dde n PRO 69 N 0.46 1.10 -0.29 1.29 -0.02 -1.26 -4.77 135.00 131.52 3dde n PRO 69 Ca 0.00 0.40 0.08 0.00 -2.02 0.00 0.00 63.50 61.96 3dde n PRO 69 Cb 0.51 -1.97 0.23 0.00 -0.02 0.00 0.00 33.50 32.25 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 1.15 1.33 1.70 -1.23 0.00 -2.00 -1.32 103.07 102.70 3dde h GLY 70 Ca -0.45 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 46.61 3dde h GLY 70 CO 0.54 -0.09 -0.15 0.07 0.00 0.00 0.00 176.54 176.91 3dde h LYS 71 N 0.53 0.37 -0.03 4.80 5.09 -2.00 -2.55 116.57 122.78 3dde h LYS 71 Ca 0.46 -0.10 -0.22 0.00 0.09 0.00 0.00 60.65 60.88 3dde h LYS 71 Cb 0.71 -0.04 0.00 0.00 0.10 0.00 0.00 32.23 33.00 3dde h LYS 71 CO -0.40 0.52 -0.90 -0.92 -2.09 0.00 0.00 179.45 175.66 3dde h TYR 72 N 0.34 0.71 -0.37 0.07 3.20 -1.60 -0.52 116.97 118.80 3dde h TYR 72 Ca 0.06 -0.36 -0.03 0.00 3.14 0.00 0.00 58.73 61.54 3dde h TYR 72 Cb 0.47 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 3dde h TYR 72 CO 0.01 1.17 0.11 1.25 -1.64 0.00 0.00 178.16 179.07 3dde h LEU 73 N 0.30 0.54 -0.40 2.82 5.85 -1.32 -1.28 115.31 121.82 3dde h LEU 73 Ca -0.07 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.45 3dde h LEU 73 Cb 1.52 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 3dde h LEU 73 CO 0.16 0.61 0.25 0.28 -0.34 0.00 0.00 178.44 179.40 3dde h SER 74 N 0.45 0.41 -0.43 1.25 0.02 -1.42 -2.75 113.55 111.08 3dde h SER 74 Ca 0.12 -0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.14 3dde h SER 74 Cb 0.27 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.65 3dde h SER 74 CO -0.00 0.30 0.02 0.15 -1.14 0.00 0.00 176.83 176.16 3dde h PHE 75 N 0.50 0.02 -0.57 3.45 3.04 -0.85 0.30 116.94 122.83 3dde h PHE 75 Ca 0.15 0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.18 3dde h PHE 75 Cb -0.02 0.06 -0.05 0.00 2.56 0.00 0.00 35.95 38.50 3dde h PHE 75 CO -0.06 -0.06 0.31 0.00 -2.02 0.00 0.00 178.31 176.47 3dde h PHE 77 N 0.60 0.36 0.20 0.00 0.04 -1.30 -2.20 116.94 114.65 3dde h PHE 77 Ca 0.25 -0.23 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3dde h PHE 77 Cb 0.12 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.25 3dde h PHE 77 CO -0.08 1.12 -0.10 1.25 -0.60 0.00 0.00 178.31 179.90 3dde h HIS 78 N 0.09 -0.25 -0.03 -0.55 -0.00 -0.78 -1.86 115.15 111.77 3dde h HIS 78 Ca -0.08 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.24 3dde h HIS 78 Cb 1.74 0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 29.23 3dde h HIS 78 CO 0.04 -0.02 -0.17 0.45 -0.00 0.00 0.00 177.93 178.22 3dde h HIS 79 N -0.44 0.05 -0.40 5.26 3.86 -1.15 0.01 115.15 122.34 3dde h HIS 79 Ca -0.03 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.08 3dde h HIS 79 Cb 0.34 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 3dde h HIS 79 CO -0.01 0.23 -0.11 0.00 0.86 0.00 0.00 177.93 178.89 3dde h ALA 80 N 1.78 0.56 -0.70 2.45 0.00 -1.32 -0.75 119.26 121.28 3dde h ALA 80 Ca 0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3dde h ALA 80 Cb 0.34 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3dde h ALA 80 CO 0.02 0.44 0.35 1.25 0.00 0.00 0.00 179.25 181.32 3dde h HIS 81 N 0.60 0.99 -0.44 0.00 6.17 -0.56 -1.39 115.15 120.52 3dde h HIS 81 Ca 0.10 -0.04 -0.06 0.00 0.71 0.00 0.00 60.37 61.07 3dde h HIS 81 Cb 0.64 -0.31 -0.02 0.00 2.52 0.00 0.00 27.41 30.24 3dde h HIS 81 CO 0.05 0.73 0.01 0.93 0.71 0.00 0.00 177.93 180.35 3dde h GLU 82 N 0.97 0.71 0.00 5.26 4.39 -0.76 -3.07 114.58 122.08 3dde h GLU 82 Ca 0.24 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 3dde h GLU 82 Cb 0.09 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3dde h GLU 82 CO -0.03 0.72 -0.34 0.93 -1.16 0.00 0.00 179.01 179.13 3dde h GLU 83 N 0.67 0.00 -6.37 2.33 4.39 -0.94 -3.46 114.58 111.20 3dde h GLU 83 Ca 0.14 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.22 3dde h GLU 83 Cb 0.41 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.10 3dde h GLU 83 CO 0.02 0.18 0.89 0.00 -1.16 0.00 0.00 179.01 178.93 3dde n ALA 84 N -2.16 0.85 -0.39 3.43 0.00 -0.54 -1.61 120.51 120.08 3dde n ALA 84 Ca 0.02 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3dde n ALA 84 Cb 0.62 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 3.75 1.15 0.25 0.00 0.00 -1.26 -4.94 105.19 104.15 3dde n GLY 85 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 3dde n GLY 85 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3dde h HIS 86 N 0.00 0.00 0.00 1.61 6.17 -1.63 -1.26 115.15 120.04 3dde h HIS 86 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.08 3dde h HIS 86 Cb 0.00 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 29.93 3dde h HIS 86 CO 0.00 0.05 -0.02 1.05 0.71 0.00 0.00 177.93 179.72 3dde h GLU 87 N 0.00 0.00 -1.99 5.26 9.09 -1.82 -3.34 114.58 121.78 3dde h GLU 87 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3dde h GLU 87 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.19 3dde h GLU 87 CO 0.01 0.02 0.00 1.28 0.05 0.00 0.00 179.01 180.37 3dde n LEU 88 N -4.11 0.00 0.00 3.06 4.77 -0.48 -2.07 117.00 118.17 3dde n LEU 88 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3dde n LEU 88 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3dde n LEU 88 CO 0.31 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.37 3dde n ALA 90 N 1.72 0.00 -0.26 -1.18 0.00 -1.26 -0.58 120.51 118.95 3dde n ALA 90 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3dde n ALA 90 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 0.87 -0.78 0.00 5.85 -1.77 -2.14 115.31 117.35 3dde h LEU 91 Ca 0.00 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 3dde h LEU 91 Cb 0.00 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 3dde h LEU 91 CO 0.00 0.69 0.31 -1.28 -0.34 0.00 0.00 178.44 177.81 3dde h SER 92 N 0.99 1.08 -0.39 1.25 0.87 -1.12 -1.92 113.55 114.31 3dde h SER 92 Ca 0.26 -0.18 -0.08 0.00 -1.23 0.00 0.00 61.79 60.57 3dde h SER 92 Cb -0.02 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.64 3dde h SER 92 CO -0.05 0.96 -0.01 0.44 -0.53 0.00 0.00 176.83 177.64 3dde h ASP 93 N 1.14 0.76 -0.58 6.23 3.32 -1.73 -1.08 116.42 124.48 3dde h ASP 93 Ca 0.26 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 3dde h ASP 93 Cb 0.22 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3dde h ASP 93 CO -0.02 0.84 0.08 0.40 -1.72 0.00 0.00 179.24 178.81 3dde h ILE 94 N 0.74 1.26 -0.32 0.35 2.04 -1.05 -2.60 117.51 117.92 3dde h ILE 94 Ca 0.14 -1.01 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 3dde h ILE 94 Cb 0.47 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3dde h ILE 94 CO 0.02 0.37 -0.06 0.00 0.00 0.00 0.00 178.15 178.48 3dde h ALA 95 N 1.00 1.31 0.00 1.87 0.00 -1.12 -2.85 119.26 119.46 3dde h ALA 95 Ca 0.17 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dde h ALA 95 Cb 0.44 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3dde h ALA 95 CO 0.01 0.47 -0.01 0.77 0.00 0.00 0.00 179.25 180.49 3dde h SER 96 N 0.49 0.00 -0.39 0.00 0.02 -0.81 -2.43 113.55 110.43 3dde h SER 96 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3dde h SER 96 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3dde h SER 96 CO 0.02 0.01 0.00 2.30 -1.14 0.00 0.00 176.83 178.02 3dde n ILE 97 N -3.12 2.30 -0.55 3.27 -5.35 -1.10 -4.89 119.36 109.93 3dde n ILE 97 Ca -0.01 -1.63 0.00 0.00 -0.27 0.00 0.00 62.75 60.84 3dde n ILE 97 Cb 0.21 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 37.93 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 0.03 0.67 3.81 3.28 0.00 -0.91 -5.07 105.19 107.00 3dde n GLY 98 Ca 0.23 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 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 2.84 -0.17 1.61 0.08 -1.10 -5.04 117.98 114.20 3dde s PHE 99 Ca 0.00 -0.32 -0.23 0.00 0.12 0.00 0.00 56.93 56.50 3dde s PHE 99 Cb 0.00 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.71 3dde s PHE 99 CO 0.00 0.25 0.74 0.34 -0.10 0.00 0.00 175.22 176.45 3dde s ASP 100 N -3.93 6.85 0.41 1.36 -1.08 -1.26 -4.15 116.67 114.87 3dde s ASP 100 Ca 0.39 1.04 0.11 0.00 -0.52 0.00 0.00 52.55 53.57 3dde s ASP 100 Cb -0.05 -2.41 0.92 0.00 -1.46 0.00 0.00 42.92 39.93 3dde s ASP 100 CO 0.25 -0.32 1.98 0.03 0.52 0.00 0.00 175.17 177.63 3dde h ARG 101 N 7.32 0.52 -0.35 4.34 3.08 -1.93 -2.56 114.38 124.81 3dde h ARG 101 Ca -0.31 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.63 3dde h ARG 101 Cb 1.14 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 3dde h ARG 101 CO 0.80 0.34 -0.10 0.93 -1.07 0.00 0.00 179.97 180.88 3dde h GLU 102 N 0.53 0.59 0.00 0.04 4.39 -1.99 -1.98 114.58 116.16 3dde h GLU 102 Ca 0.28 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 3dde h GLU 102 Cb 0.40 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3dde h GLU 102 CO -0.08 0.68 -0.23 -0.44 -1.16 0.00 0.00 179.01 177.78 3dde h ASP 103 N 0.54 0.00 0.01 1.42 3.32 -1.88 -2.07 116.42 117.77 3dde h ASP 103 Ca 0.10 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 3dde h ASP 103 Cb 0.49 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.05 3dde h ASP 103 CO 0.03 0.23 -0.30 0.58 -1.72 0.00 0.00 179.24 178.06 3dde h VAL 104 N 0.00 1.55 0.00 -1.35 2.07 -1.52 -3.14 116.25 113.87 3dde h VAL 104 Ca -0.00 -2.03 -0.04 0.00 0.82 0.00 0.00 66.70 65.45 3dde h VAL 104 Cb 0.50 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 3dde h VAL 104 CO 0.03 0.56 -0.18 -0.07 0.02 0.00 0.00 177.57 177.93 3dde h LEU 105 N -0.49 0.00 -1.53 2.57 3.38 -1.18 -2.28 115.31 115.77 3dde h LEU 105 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3dde h LEU 105 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3dde h LEU 105 CO 0.06 0.18 0.00 -1.54 0.09 0.00 0.00 178.44 177.23 3dde n SER 106 N -4.22 2.33 -4.88 -0.43 3.41 -0.79 -4.95 113.62 104.09 3dde n SER 106 Ca -0.02 -1.79 -0.31 0.00 -0.26 0.00 0.00 58.87 56.49 3dde n SER 106 Cb 0.25 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.75 6.57 -0.06 4.04 1.04 -0.86 -5.07 113.70 117.61 3dde s SER 107 Ca 0.34 1.05 -0.10 0.00 0.48 0.00 0.00 55.95 57.72 3dde s SER 107 Cb 0.20 -2.28 -0.05 0.00 0.10 0.00 0.00 66.02 63.99 3dde s SER 107 CO 0.30 -0.27 0.26 -0.54 0.98 0.00 0.00 173.24 173.97 3dde s LYS 108 N -3.46 3.64 0.77 4.02 3.01 -1.26 -5.03 119.74 121.42 3dde s LYS 108 Ca 0.50 0.09 -0.14 0.00 -1.01 0.00 0.00 55.97 55.40 3dde s LYS 108 Cb -0.10 -3.19 0.06 0.00 -1.01 0.00 0.00 37.83 33.58 3dde s LYS 108 CO 0.27 0.73 1.19 -2.30 0.51 0.00 0.00 175.35 175.74 3dde n PRO 109 N 1.82 0.39 -1.60 -1.68 -0.02 -1.26 -4.99 135.00 127.66 3dde n PRO 109 Ca -0.17 0.20 -0.32 0.00 -2.02 0.00 0.00 63.50 61.20 3dde n PRO 109 Cb 0.54 -2.43 0.06 0.00 -0.02 0.00 0.00 33.50 31.65 3dde n PRO 109 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dde s LEU 110 N -5.06 3.23 0.26 2.45 1.43 -1.26 -4.78 118.68 114.94 3dde s LEU 110 Ca 0.75 1.81 -0.02 0.00 -1.03 0.00 0.00 54.13 55.64 3dde s LEU 110 Cb -0.31 -4.52 0.48 0.00 0.03 0.00 0.00 46.19 41.86 3dde s LEU 110 CO 0.49 -1.64 1.80 -0.65 0.23 0.00 0.00 176.35 176.58 3dde h PRO 111 N -0.47 0.75 -0.16 1.29 0.11 -1.99 -0.99 132.00 130.55 3dde h PRO 111 Ca -0.45 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 3dde h PRO 111 Cb 1.23 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3dde h PRO 111 CO 0.54 0.49 -0.16 0.00 -0.21 0.00 0.00 178.00 178.67 3dde h ALA 112 N 1.51 1.44 -0.04 -0.75 0.00 -1.93 -0.66 119.26 118.84 3dde h ALA 112 Ca 0.44 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3dde h ALA 112 Cb 0.50 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.21 3dde h ALA 112 CO -0.29 0.39 -0.50 1.15 0.00 0.00 0.00 179.25 180.00 3dde h THR 113 N 0.24 1.42 -0.92 0.00 2.02 -1.59 -2.33 112.91 111.76 3dde h THR 113 Ca 0.05 -1.93 0.04 0.00 0.77 0.00 0.00 66.41 65.34 3dde h THR 113 Cb 0.43 2.45 -0.05 0.00 -1.74 0.00 0.00 68.15 69.23 3dde h THR 113 CO 0.03 0.56 0.60 -0.08 0.37 0.00 0.00 175.52 177.00 3dde h GLU 114 N -0.08 1.09 -0.64 6.66 4.57 -1.07 -1.50 114.58 123.60 3dde h GLU 114 Ca -0.05 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 3dde h GLU 114 Cb 1.18 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 29.50 3dde h GLU 114 CO 0.10 0.72 0.21 1.15 -1.18 0.00 0.00 179.01 180.01 3dde h THR 115 N 1.12 1.25 -0.32 0.32 2.02 -1.05 -1.13 112.91 115.12 3dde h THR 115 Ca 0.37 -0.83 -0.06 0.00 0.77 0.00 0.00 66.41 66.66 3dde h THR 115 Cb 0.06 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3dde h THR 115 CO -0.12 0.32 -0.01 0.25 0.37 0.00 0.00 175.52 176.33 3dde h LEU 116 N 0.93 0.58 -0.16 2.58 5.85 -0.93 -2.06 115.31 122.08 3dde h LEU 116 Ca 0.21 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.65 3dde h LEU 116 Cb 0.28 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3dde h LEU 116 CO -0.01 0.76 -0.07 0.40 -0.34 0.00 0.00 178.44 179.18 3dde h ILE 117 N 0.38 0.77 -0.35 4.05 2.04 -1.14 -1.13 117.51 122.13 3dde h ILE 117 Ca 0.09 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.01 3dde h ILE 117 Cb 0.47 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 3dde h ILE 117 CO 0.02 0.00 0.05 0.00 0.00 0.00 0.00 178.15 178.21 3dde h ALA 118 N 1.10 0.35 -0.35 1.87 0.00 -1.17 -2.35 119.26 118.73 3dde h ALA 118 Ca 0.09 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3dde h ALA 118 Cb 0.18 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3dde h ALA 118 CO -0.19 -0.36 0.20 -0.92 0.00 0.00 0.00 179.25 177.98 3dde h TYR 119 N 0.16 0.38 -0.57 0.00 3.20 -1.00 -1.35 116.97 117.79 3dde h TYR 119 Ca 0.17 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.97 3dde h TYR 119 Cb 0.21 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3dde h TYR 119 CO -0.21 0.22 0.04 -0.07 -1.64 0.00 0.00 178.16 176.51 3dde h LEU 120 N 0.41 0.91 -0.56 2.82 3.38 -1.03 -1.15 115.31 120.10 3dde h LEU 120 Ca 0.14 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3dde h LEU 120 Cb 0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3dde h LEU 120 CO -0.06 0.95 0.09 1.88 0.09 0.00 0.00 178.44 181.38 3dde h TYR 121 N 0.88 0.98 -0.38 1.13 0.05 -1.28 -2.33 116.97 116.02 3dde h TYR 121 Ca 0.17 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 3dde h TYR 121 Cb 0.46 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 3dde h TYR 121 CO 0.03 0.86 0.19 2.35 -1.05 0.00 0.00 178.16 180.55 3dde h TRP 122 N 0.81 0.54 0.00 4.88 2.91 -0.88 0.44 115.95 124.65 3dde h TRP 122 Ca 0.17 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.17 3dde h TRP 122 Cb 0.41 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 28.89 3dde h TRP 122 CO 0.03 0.44 0.00 0.44 -1.03 0.00 0.00 178.44 178.32 3dde n ILE 123 N -4.72 0.41 0.00 2.65 -6.64 -0.47 -1.81 119.36 108.78 3dde n ILE 123 Ca -0.00 -0.05 -0.12 0.00 -1.77 0.00 0.00 62.75 60.81 3dde n ILE 123 Cb 0.10 -0.65 -0.14 0.00 -1.44 0.00 0.00 39.64 37.51 3dde n ILE 123 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 3dde h SER 124 N 0.00 0.13 1.03 7.28 0.02 -1.02 -3.39 113.55 117.60 3dde h SER 124 Ca 0.00 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3dde h SER 124 Cb 0.54 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3dde h SER 124 CO 0.00 1.22 -0.96 0.00 -1.14 0.00 0.00 176.83 175.95 3dde h ALA 125 N 0.76 0.52 -2.32 3.77 0.00 -0.80 -3.30 119.26 117.89 3dde h ALA 125 Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.28 3dde h ALA 125 Cb 1.99 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.64 3dde h ALA 125 CO 0.10 0.00 -0.61 0.95 0.00 0.00 0.00 179.25 179.69 3dde s THR 126 N -3.35 0.55 0.00 0.00 -4.23 -0.75 -4.89 115.64 102.96 3dde s THR 126 Ca -0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3dde s THR 126 Cb 0.09 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.30 3dde s THR 126 CO 0.78 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.47 3dde n GLY 127 N -0.48 -0.25 3.62 3.99 0.00 -1.26 -4.67 105.19 106.13 3dde n GLY 127 Ca 0.00 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 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 6.13 0.66 1.61 3.84 -1.26 -4.88 114.94 117.04 3dde s ASN 128 Ca 0.00 1.60 0.36 0.00 0.21 0.00 0.00 52.86 55.03 3dde s ASN 128 Cb 0.00 -2.53 1.97 0.00 -0.55 0.00 0.00 41.25 40.15 3dde s ASN 128 CO 0.00 -1.47 2.11 -0.65 -2.79 0.00 0.00 177.10 174.30 3dde h PRO 129 N 11.86 0.00 0.00 0.43 0.11 -1.90 -0.99 132.00 141.50 3dde h PRO 129 Ca -0.35 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 3dde h PRO 129 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3dde h PRO 129 CO 1.00 0.00 -0.26 0.28 -0.21 0.00 0.00 178.00 178.81 3dde h VAL 130 N 0.00 0.70 -0.34 3.15 2.07 -1.94 -3.37 116.25 116.52 3dde h VAL 130 Ca 0.00 -1.15 0.06 0.00 0.82 0.00 0.00 66.70 66.42 3dde h VAL 130 Cb 0.37 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 3dde h VAL 130 CO 0.00 0.26 0.23 0.06 0.02 0.00 0.00 177.57 178.14 3dde h GLN 131 N 0.00 0.21 0.00 1.57 3.07 -1.46 -2.10 115.11 116.40 3dde h GLN 131 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 3dde h GLN 131 Cb 0.72 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.23 3dde h GLN 131 CO 0.03 0.14 -0.04 -0.09 0.09 0.00 0.00 178.83 178.96 3dde h ARG 132 N 0.21 0.00 -0.11 0.06 2.43 -1.79 -1.29 114.38 113.90 3dde h ARG 132 Ca 0.15 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 3dde h ARG 132 Cb 0.32 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3dde h ARG 132 CO -0.03 0.04 0.21 -0.07 -1.51 0.00 0.00 179.97 178.62 3dde h LEU 133 N 0.00 0.00 -0.70 3.80 3.38 -1.68 -0.56 115.31 119.55 3dde h LEU 133 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3dde h LEU 133 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3dde h LEU 133 CO 0.01 0.00 -0.12 1.23 0.09 0.00 0.00 178.44 179.64 3dde h GLY 134 N 0.00 0.95 0.92 0.83 0.00 -1.39 -0.33 103.07 104.04 3dde h GLY 134 Ca 0.05 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.62 3dde h GLY 134 CO -0.00 0.69 -0.15 -1.82 0.00 0.00 0.00 176.54 175.25 3dde h TYR 135 N 0.79 -0.39 -0.92 5.60 3.20 -1.26 -3.02 116.97 120.97 3dde h TYR 135 Ca 0.13 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.10 3dde h TYR 135 Cb 0.64 0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.97 3dde h TYR 135 CO 0.04 -0.18 0.59 0.77 -1.64 0.00 0.00 178.16 177.73 3dde h SER 136 N -0.51 0.79 0.01 -2.11 0.02 -1.43 -1.59 113.55 108.74 3dde h SER 136 Ca -0.04 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3dde h SER 136 Cb 0.38 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 3dde h SER 136 CO 0.07 0.44 -0.32 0.22 -1.14 0.00 0.00 176.83 176.10 3dde h TYR 137 N 0.86 -0.88 0.08 3.45 3.20 -0.92 0.76 116.97 123.53 3dde h TYR 137 Ca 0.44 0.03 -0.26 0.00 3.14 0.00 0.00 58.73 62.08 3dde h TYR 137 Cb 0.50 0.39 0.01 0.00 1.54 0.00 0.00 36.73 39.17 3dde h TYR 137 CO -0.00 -0.41 -1.12 0.11 -1.64 0.00 0.00 178.16 175.10 3dde h TRP 138 N -0.48 0.63 -0.77 -3.82 5.08 -1.57 -3.25 115.95 111.77 3dde h TRP 138 Ca 0.06 -0.40 -0.02 0.00 1.08 0.00 0.00 58.89 59.61 3dde h TRP 138 Cb 0.56 -0.05 -0.04 0.00 -3.00 0.00 0.00 29.16 26.63 3dde h TRP 138 CO -0.34 1.26 0.41 0.00 -1.28 0.00 0.00 178.44 178.49 3dde h ALA 139 N 0.60 0.99 0.00 0.11 0.00 -1.04 -2.13 119.26 117.79 3dde h ALA 139 Ca -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3dde h ALA 139 Cb 1.80 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3dde h ALA 139 CO 0.19 0.51 0.00 0.93 0.00 0.00 0.00 179.25 180.89 3dde h GLU 140 N 1.07 0.00 -0.59 0.00 4.39 -0.98 -3.31 114.58 115.16 3dde h GLU 140 Ca 0.27 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 59.54 3dde h GLU 140 Cb 0.06 0.00 -0.34 0.00 -0.10 0.00 0.00 28.75 28.37 3dde h GLU 140 CO -0.04 0.00 -0.74 -1.71 -1.16 0.00 0.00 179.01 175.36 3dde n ASN 141 N -2.37 4.24 0.04 1.42 5.15 -0.85 -4.57 115.26 118.32 3dde n ASN 141 Ca 0.05 -3.78 -0.21 0.00 -0.60 0.00 0.00 54.58 50.03 3dde n ASN 141 Cb 0.40 -0.38 -0.14 0.00 -0.53 0.00 0.00 39.78 39.12 3dde n ASN 141 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 3dde h VAL 142 N 1.92 0.82 -1.08 3.44 3.04 -1.52 -3.40 116.25 119.46 3dde h VAL 142 Ca 0.29 -2.48 0.29 0.00 -1.01 0.00 0.00 66.70 63.79 3dde h VAL 142 Cb 1.42 2.64 -0.09 0.00 -2.01 0.00 0.00 31.29 33.25 3dde h VAL 142 CO 0.60 0.85 0.71 0.22 -1.01 0.00 0.00 177.57 178.94 3dde h TYR 143 N 0.08 0.56 -0.39 3.17 5.03 -1.88 -0.03 116.97 123.52 3dde h TYR 143 Ca -0.37 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 60.92 3dde h TYR 143 Cb 2.06 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 40.16 3dde h TYR 143 CO 0.08 0.03 0.05 0.78 -1.32 0.00 0.00 178.16 177.79 3dde h GLY 144 N 0.31 0.63 1.11 1.82 0.00 -1.98 0.11 103.07 105.08 3dde h GLY 144 Ca 0.61 -0.35 -0.33 0.00 0.00 0.00 0.00 47.33 47.26 3dde h GLY 144 CO -0.27 0.33 -1.62 -0.97 0.00 0.00 0.00 176.54 174.01 3dde h TYR 145 N 0.57 0.64 -0.03 5.60 0.05 -1.29 -3.35 116.97 119.16 3dde h TYR 145 Ca 0.13 -0.47 0.00 0.00 0.05 0.00 0.00 58.73 58.44 3dde h TYR 145 Cb 0.28 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.99 3dde h TYR 145 CO 0.01 1.53 0.00 0.44 -1.05 0.00 0.00 178.16 179.09 3dde n ILE 146 N -3.55 0.02 -0.20 -2.88 -5.35 -0.98 -4.48 119.36 101.94 3dde n ILE 146 Ca -0.20 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 3dde n ILE 146 Cb 1.07 0.64 0.09 0.00 -1.74 0.00 0.00 39.64 39.70 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 2.70 -0.27 -0.24 7.28 3.58 -0.91 -0.96 116.42 127.60 3dde h ASP 147 Ca 0.00 0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.58 3dde h ASP 147 Cb 0.57 0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.87 3dde h ASP 147 CO 0.00 -0.11 0.09 -0.65 -2.88 0.00 0.00 179.24 175.69 3dde h PRO 148 N 0.11 0.43 -0.32 0.28 0.11 -1.86 -0.38 132.00 130.38 3dde h PRO 148 Ca 0.31 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.28 3dde h PRO 148 Cb 0.50 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 3dde h PRO 148 CO -0.51 0.39 -0.14 0.28 -0.21 0.00 0.00 178.00 177.81 3dde h VAL 149 N 0.43 1.29 -0.49 3.15 2.07 -1.51 -2.09 116.25 119.09 3dde h VAL 149 Ca 0.11 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 3dde h VAL 149 Cb 0.14 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3dde h VAL 149 CO -0.01 0.40 0.26 -0.07 0.02 0.00 0.00 177.57 178.17 3dde h LEU 150 N 0.42 0.62 -1.25 2.57 3.38 -0.97 -1.68 115.31 118.40 3dde h LEU 150 Ca 0.07 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3dde h LEU 150 Cb 0.66 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3dde h LEU 150 CO 0.04 0.55 0.13 0.11 0.09 0.00 0.00 178.44 179.36 3dde h LYS 151 N 0.65 0.64 -0.06 1.13 6.56 -1.03 -1.61 116.57 122.86 3dde h LYS 151 Ca 0.17 -0.11 -0.17 0.00 -1.06 0.00 0.00 60.65 59.49 3dde h LYS 151 Cb 0.07 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.61 3dde h LYS 151 CO -0.03 0.57 -0.71 0.00 -2.06 0.00 0.00 179.45 177.22 3dde h ALA 152 N 1.51 0.68 -0.28 3.86 0.00 -1.09 -2.59 119.26 121.36 3dde h ALA 152 Ca 0.15 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 3dde h ALA 152 Cb 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3dde h ALA 152 CO -0.01 0.78 -0.09 0.97 0.00 0.00 0.00 179.25 180.91 3dde h ILE 153 N 0.21 1.29 -0.49 0.00 6.09 -1.00 -2.13 117.51 121.48 3dde h ILE 153 Ca -0.02 -1.13 0.01 0.00 -1.37 0.00 0.00 64.86 62.35 3dde h ILE 153 Cb 1.27 1.45 -0.02 0.00 0.47 0.00 0.00 36.82 39.99 3dde h ILE 153 CO 0.11 0.36 0.32 -0.61 -3.07 0.00 0.00 178.15 175.26 3dde h GLN 154 N 0.30 0.61 0.01 2.19 4.15 -1.28 -2.15 115.11 118.93 3dde h GLN 154 Ca 0.07 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 3dde h GLN 154 Cb 0.58 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.13 3dde h GLN 154 CO 0.03 0.40 -0.16 0.77 -1.93 0.00 0.00 178.83 177.94 3dde h SER 155 N 0.63 0.13 0.05 -0.69 0.02 -1.30 -1.33 113.55 111.06 3dde h SER 155 Ca 0.18 -0.83 -0.00 0.00 -0.84 0.00 0.00 61.79 60.30 3dde h SER 155 Cb -0.03 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.47 3dde h SER 155 CO -0.04 0.94 -0.02 0.74 -1.14 0.00 0.00 176.83 177.31 3dde h THR 156 N -0.67 0.99 -0.33 -2.27 2.02 -1.27 -2.87 112.91 108.51 3dde h THR 156 Ca -0.02 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3dde h THR 156 Cb 0.98 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 3dde h THR 156 CO 0.03 0.03 0.00 0.18 0.37 0.00 0.00 175.52 176.14 3dde n LEU 157 N -5.09 1.86 -4.05 2.58 4.77 -0.82 -4.95 117.00 111.29 3dde n LEU 157 Ca -0.08 -0.91 -0.44 0.00 -0.03 0.00 0.00 56.01 54.56 3dde n LEU 157 Cb 0.08 -0.22 0.02 0.00 -2.33 0.00 0.00 43.42 40.97 3dde n LEU 157 CO 0.33 0.46 -0.17 -0.67 -1.33 0.00 0.00 177.39 176.01 3dde n ASP 158 N 0.50 -3.91 -4.87 -1.43 2.03 -0.90 -4.92 116.55 103.05 3dde n ASP 158 Ca 0.12 -1.22 -0.32 0.00 0.52 0.00 0.00 54.79 53.89 3dde n ASP 158 Cb 0.30 -1.49 -0.05 0.00 -0.72 0.00 0.00 41.12 39.15 3dde n ASP 158 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3dde s LEU 159 N -7.19 4.16 0.42 -2.67 1.43 -0.55 -5.04 118.68 109.24 3dde s LEU 159 Ca 0.44 0.97 0.08 0.00 -1.03 0.00 0.00 54.13 54.59 3dde s LEU 159 Cb -0.24 -3.73 0.00 0.00 0.03 0.00 0.00 46.19 42.25 3dde s LEU 159 CO 0.92 -0.09 0.51 0.42 0.23 0.00 0.00 176.35 178.35 3dde s THR 160 N -1.83 2.88 0.67 5.49 -4.23 -1.26 -4.91 115.64 112.45 3dde s THR 160 Ca 0.48 -1.10 0.35 0.00 -1.18 0.00 0.00 61.69 60.24 3dde s THR 160 Cb -0.11 -2.99 0.35 0.00 1.34 0.00 0.00 72.50 71.09 3dde s THR 160 CO 0.21 0.00 2.08 -0.65 -0.54 0.00 0.00 174.62 175.71 3dde h PRO 161 N 0.75 0.00 -0.15 3.99 0.11 -2.02 -2.19 132.00 132.49 3dde h PRO 161 Ca -0.40 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.61 3dde h PRO 161 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3dde h PRO 161 CO 0.49 0.00 -0.35 1.96 -0.21 0.00 0.00 178.00 179.89 3dde h GLN 162 N 0.00 0.31 -1.85 1.05 1.08 -2.01 -3.13 115.11 110.56 3dde h GLN 162 Ca 0.00 -0.13 -0.52 0.00 -1.45 0.00 0.00 58.65 56.55 3dde h GLN 162 Cb 0.44 -0.01 -0.19 0.00 -0.05 0.00 0.00 27.48 27.67 3dde h GLN 162 CO -0.00 0.63 0.52 0.43 -0.95 0.00 0.00 178.83 179.46 3dde n SER 163 N -4.07 6.71 0.00 1.46 7.64 -0.83 -4.69 113.62 119.84 3dde n SER 163 Ca -0.01 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 56.56 3dde n SER 163 Cb 0.45 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 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 0.47 0.00 -0.35 1.43 5.02 -1.18 -4.79 118.16 118.75 3dde n LYS 165 Ca 0.47 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.79 3dde n LYS 165 Cb 0.52 0.00 0.17 0.00 -0.02 0.00 0.00 35.03 35.69 3dde n LYS 165 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3dde h PHE 166 N 0.00 1.11 0.00 2.13 3.04 -1.94 -1.23 116.94 120.04 3dde h PHE 166 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3dde h PHE 166 Cb 0.00 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 38.15 3dde h PHE 166 CO 0.00 0.55 -0.85 1.19 -2.02 0.00 0.00 178.31 177.18 3dde n PHE 167 N -4.56 0.11 -1.20 0.41 3.72 -1.26 -4.67 117.46 110.01 3dde n PHE 167 Ca 0.15 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 3dde n PHE 167 Cb 0.20 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 3dde n PHE 167 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3dde n ILE 168 N -1.70 0.00 -0.05 4.37 -5.35 -1.12 -4.88 119.36 110.63 3dde n ILE 168 Ca 0.04 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.41 3dde n ILE 168 Cb 0.38 0.83 -0.10 0.00 -1.74 0.00 0.00 39.64 39.01 3dde n ILE 168 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dde h ALA 169 N 0.00 -0.02 -1.27 -1.28 0.00 -1.50 -3.36 119.26 111.83 3dde h ALA 169 Ca 0.00 -0.36 -0.78 0.00 0.00 0.00 0.00 54.91 53.77 3dde h ALA 169 Cb 1.02 0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.60 3dde h ALA 169 CO 0.00 -0.05 1.46 0.72 0.00 0.00 0.00 179.25 181.38 3dde n HIS 170 N -4.69 2.58 -0.05 0.00 8.25 -1.26 -4.66 115.22 115.39 3dde n HIS 170 Ca -0.08 -2.66 -0.22 0.00 -0.26 0.00 0.00 57.72 54.50 3dde n HIS 170 Cb 0.35 -1.52 -0.13 0.00 1.12 0.00 0.00 29.99 29.82 3dde n HIS 170 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3dde n SER 171 N 1.67 2.00 -0.11 0.41 7.64 -1.26 -2.56 113.62 121.42 3dde n SER 171 Ca 0.41 0.31 -0.05 0.00 1.01 0.00 0.00 58.87 60.55 3dde n SER 171 Cb 0.30 -0.91 0.13 0.00 -1.01 0.00 0.00 64.21 62.73 3dde n SER 171 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3dde h LYS 172 N -0.43 0.80 -0.41 1.43 1.57 -1.92 -1.83 116.57 115.77 3dde h LYS 172 Ca -0.40 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.03 3dde h LYS 172 Cb 1.70 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.92 3dde h LYS 172 CO -0.06 0.85 -0.18 0.82 -0.57 0.00 0.00 179.45 180.31 3dde h ILE 173 N 0.74 1.28 -0.88 1.86 5.03 -1.91 -2.78 117.51 120.84 3dde h ILE 173 Ca 0.13 -1.32 -0.01 0.00 -0.12 0.00 0.00 64.86 63.54 3dde h ILE 173 Cb 0.53 1.26 -0.04 0.00 -3.03 0.00 0.00 36.82 35.54 3dde h ILE 173 CO 0.03 0.44 0.50 0.44 -0.68 0.00 0.00 178.15 178.89 3dde h ASP 174 N 0.66 1.08 -0.67 1.72 3.32 -1.25 -0.93 116.42 120.36 3dde h ASP 174 Ca 0.09 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 3dde h ASP 174 Cb 0.74 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 3dde h ASP 174 CO 0.06 0.85 0.14 0.00 -1.72 0.00 0.00 179.24 178.57 3dde h ALA 175 N 1.33 0.89 -0.59 3.45 0.00 -1.23 -1.77 119.26 121.33 3dde h ALA 175 Ca 0.31 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3dde h ALA 175 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3dde h ALA 175 CO -0.05 0.63 0.04 -0.22 0.00 0.00 0.00 179.25 179.64 3dde h LYS 176 N 1.02 1.02 -0.60 0.00 3.64 -1.19 -2.86 116.57 117.60 3dde h LYS 176 Ca 0.21 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 59.22 3dde h LYS 176 Cb 0.40 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 3dde h LYS 176 CO 0.01 0.99 0.13 0.45 -2.27 0.00 0.00 179.45 178.75 3dde h HIS 177 N 0.92 0.98 -0.50 1.91 3.86 -0.97 -1.06 115.15 120.30 3dde h HIS 177 Ca 0.17 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3dde h HIS 177 Cb 0.50 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 3dde h HIS 177 CO 0.04 0.82 0.30 0.00 0.86 0.00 0.00 177.93 179.95 3dde h ALA 178 N 1.24 0.64 -0.65 2.45 0.00 -1.29 -0.62 119.26 121.02 3dde h ALA 178 Ca 0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3dde h ALA 178 Cb 0.35 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3dde h ALA 178 CO 0.00 0.13 0.30 1.05 0.00 0.00 0.00 179.25 180.73 3dde h GLU 179 N 0.67 0.95 -0.64 0.00 4.11 -1.24 -2.00 114.58 116.43 3dde h GLU 179 Ca 0.18 -0.15 -0.08 0.00 0.07 0.00 0.00 59.36 59.38 3dde h GLU 179 Cb -0.00 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3dde h GLU 179 CO -0.03 0.77 0.09 0.93 0.07 0.00 0.00 179.01 180.84 3dde h GLU 180 N 0.91 1.08 -0.20 1.06 5.08 -0.96 -0.93 114.58 120.60 3dde h GLU 180 Ca 0.22 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3dde h GLU 180 Cb 0.15 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3dde h GLU 180 CO -0.03 1.00 0.07 0.28 -1.00 0.00 0.00 179.01 179.33 3dde h VAL 181 N 0.99 1.18 -0.55 3.13 2.07 -1.00 -3.09 116.25 118.98 3dde h VAL 181 Ca 0.19 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.17 3dde h VAL 181 Cb 0.46 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3dde h VAL 181 CO 0.02 0.18 0.32 0.78 0.02 0.00 0.00 177.57 178.89 3dde h ASN 182 N 0.16 0.51 0.00 0.57 4.21 -1.18 0.18 115.58 120.04 3dde h ASN 182 Ca 0.07 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.59 3dde h ASN 182 Cb 0.22 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 3dde h ASN 182 CO -0.00 0.35 0.00 -0.62 -1.29 0.00 0.00 177.43 175.87 3dde n GLU 183 N -4.79 0.14 0.00 0.81 4.71 -0.37 -2.11 120.64 119.02 3dde n GLU 183 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 3dde n GLU 183 Cb 0.09 -1.23 0.00 0.00 -1.01 0.00 0.00 31.44 29.30 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 0.65 0.00 0.10 -4.62 4.77 0.65 -1.96 117.00 116.58 3dde n LEU 185 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 3dde n LEU 185 Cb 0.05 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.39 3dde n LEU 185 CO 0.00 0.00 0.67 0.45 -1.33 0.00 0.00 177.39 177.18 3dde h HIS 186 N 0.00 0.26 -0.03 -1.77 3.86 -1.69 -2.67 115.15 113.11 3dde h HIS 186 Ca 0.00 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 3dde h HIS 186 Cb 0.00 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.41 3dde h HIS 186 CO 0.00 0.58 -0.06 1.49 0.86 0.00 0.00 177.93 180.80 3dde h GLU 187 N 0.20 0.09 0.00 2.45 4.57 -1.67 -3.38 114.58 116.83 3dde h GLU 187 Ca 0.02 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3dde h GLU 187 Cb 0.76 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 3dde h GLU 187 CO 0.06 0.64 -0.74 -0.39 -1.18 0.00 0.00 179.01 177.40 3dde h VAL 188 N -0.45 0.00 -2.91 0.32 -1.51 -1.84 -3.44 116.25 106.41 3dde h VAL 188 Ca 0.00 -0.57 -0.63 0.00 -1.23 0.00 0.00 66.70 64.27 3dde h VAL 188 Cb 0.64 1.10 -0.14 0.00 -2.13 0.00 0.00 31.29 30.76 3dde h VAL 188 CO 0.01 0.00 0.50 0.00 -1.23 0.00 0.00 177.57 176.85 3dde n LYS 190 N 7.46 1.08 -4.43 0.00 4.76 -1.26 -4.40 118.16 121.36 3dde n LYS 190 Ca -0.02 -0.04 -0.21 0.00 -2.87 0.00 0.00 58.31 55.17 3dde n LYS 190 Cb 0.46 -1.44 -0.10 0.00 -1.84 0.00 0.00 35.03 32.11 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 -2.58 1.43 0.32 -0.18 -4.23 -1.26 -4.96 115.64 104.17 3dde s THR 191 Ca -0.08 -2.06 0.14 0.00 -1.18 0.00 0.00 61.69 58.51 3dde s THR 191 Cb 0.06 -2.59 0.09 0.00 1.34 0.00 0.00 72.50 71.40 3dde s THR 191 CO 0.71 -0.18 1.78 -0.61 -0.54 0.00 0.00 174.62 175.78 3dde h GLN 192 N 2.22 0.00 -0.58 3.99 5.75 -1.96 -2.28 115.11 122.25 3dde h GLN 192 Ca -0.40 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.07 3dde h GLN 192 Cb 1.24 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.76 3dde h GLN 192 CO 0.69 0.41 0.25 0.93 -2.65 0.00 0.00 178.83 178.46 3dde h GLU 193 N 0.00 0.84 -0.08 1.69 3.07 -1.98 0.13 114.58 118.25 3dde h GLU 193 Ca -0.00 -0.12 0.01 0.00 -0.50 0.00 0.00 59.36 58.74 3dde h GLU 193 Cb 0.78 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 3dde h GLU 193 CO 0.05 0.68 0.03 -0.44 -1.40 0.00 0.00 179.01 177.93 3dde h ASP 194 N 0.83 0.03 -0.60 1.42 3.32 -1.82 -1.97 116.42 117.63 3dde h ASP 194 Ca 0.20 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 3dde h ASP 194 Cb 0.14 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 3dde h ASP 194 CO -0.02 0.03 0.31 0.58 -1.72 0.00 0.00 179.24 178.42 3dde h VAL 195 N 0.07 1.20 -0.88 -1.35 2.07 -1.28 -2.48 116.25 113.60 3dde h VAL 195 Ca 0.03 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3dde h VAL 195 Cb 0.02 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 3dde h VAL 195 CO -0.04 0.22 0.52 0.44 0.02 0.00 0.00 177.57 178.74 3dde h ASP 196 N 0.81 1.06 -0.46 0.57 3.32 -0.61 -1.14 116.42 119.98 3dde h ASP 196 Ca 0.21 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 3dde h ASP 196 Cb 0.07 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3dde h ASP 196 CO -0.03 0.82 -0.04 0.77 -1.72 0.00 0.00 179.24 179.04 3dde h SER 197 N 1.21 0.88 -0.45 6.45 4.64 -1.11 -0.68 113.55 124.48 3dde h SER 197 Ca 0.31 -0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 3dde h SER 197 Cb -0.04 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.80 3dde h SER 197 CO -0.06 0.96 0.17 0.58 -0.87 0.00 0.00 176.83 177.62 3dde h VAL 198 N 0.82 1.21 -0.59 0.95 2.07 -1.04 -2.53 116.25 117.14 3dde h VAL 198 Ca 0.15 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 3dde h VAL 198 Cb 0.55 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3dde h VAL 198 CO 0.03 0.24 -0.00 0.58 0.02 0.00 0.00 177.57 178.44 3dde h VAL 199 N 0.59 1.26 -0.45 2.57 2.07 -0.93 -3.07 116.25 118.28 3dde h VAL 199 Ca 0.15 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 3dde h VAL 199 Cb 0.21 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3dde h VAL 199 CO -0.01 0.41 0.22 0.00 0.02 0.00 0.00 177.57 178.21 3dde h ALA 200 N 1.04 0.58 0.00 1.67 0.00 -1.04 -1.71 119.26 119.80 3dde h ALA 200 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3dde h ALA 200 Cb 0.55 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3dde h ALA 200 CO 0.03 0.14 0.00 0.28 0.00 0.00 0.00 179.25 179.70 3dde n VAL 201 N -4.65 0.51 0.00 0.00 0.31 -0.96 -1.49 118.33 112.05 3dde n VAL 201 Ca 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3dde n VAL 201 Cb 0.11 -0.76 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 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 0.76 0.00 0.01 5.55 1.02 -0.64 -1.00 120.64 126.34 3dde n GLU 203 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 3dde n GLU 203 Cb 0.25 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.73 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 0.60 -0.45 1.62 -1.24 -1.51 -0.76 115.58 113.83 3dde h ASN 204 Ca 0.00 -0.32 -0.04 0.00 0.71 0.00 0.00 56.30 56.65 3dde h ASN 204 Cb 0.00 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 38.85 3dde h ASN 204 CO 0.00 1.03 0.14 0.77 -1.29 0.00 0.00 177.43 178.08 3dde h SER 205 N 0.41 0.71 -0.05 1.15 4.64 -1.31 0.20 113.55 119.30 3dde h SER 205 Ca 0.01 -0.12 -0.24 0.00 -0.47 0.00 0.00 61.79 60.97 3dde h SER 205 Cb 1.10 -0.19 0.02 0.00 -0.31 0.00 0.00 62.40 63.02 3dde h SER 205 CO 0.10 0.70 -0.92 0.25 -0.87 0.00 0.00 176.83 176.09 3dde h LEU 206 N 0.75 0.89 -0.43 5.97 5.85 -1.73 -0.88 115.31 125.72 3dde h LEU 206 Ca 0.17 -0.71 0.05 0.00 0.84 0.00 0.00 57.88 58.23 3dde h LEU 206 Cb 0.26 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3dde h LEU 206 CO -0.00 1.47 0.18 0.58 -0.34 0.00 0.00 178.44 180.33 3dde h VAL 207 N 0.39 0.91 -0.25 1.05 2.07 -0.95 -0.90 116.25 118.56 3dde h VAL 207 Ca -0.10 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 3dde h VAL 207 Cb 1.57 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 3dde h VAL 207 CO 0.18 0.07 -0.34 -0.07 0.02 0.00 0.00 177.57 177.43 3dde h LEU 208 N 0.37 0.56 -0.84 2.57 3.38 -0.90 -2.53 115.31 117.93 3dde h LEU 208 Ca 0.20 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3dde h LEU 208 Cb 0.15 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3dde h LEU 208 CO -0.17 0.86 0.09 0.74 0.09 0.00 0.00 178.44 180.05 3dde h THR 209 N 0.46 1.25 -0.08 0.22 2.02 -0.87 -2.54 112.91 113.37 3dde h THR 209 Ca 0.05 -0.97 -0.05 0.00 0.77 0.00 0.00 66.41 66.21 3dde h THR 209 Cb 0.81 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 3dde h THR 209 CO 0.07 0.36 -0.19 0.00 0.37 0.00 0.00 175.52 176.13 3dde h ALA 210 N 1.19 1.55 0.00 6.16 0.00 -0.83 -1.79 119.26 125.54 3dde h ALA 210 Ca 0.19 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3dde h ALA 210 Cb 0.40 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3dde h ALA 210 CO 0.01 0.33 -0.15 0.00 0.00 0.00 0.00 179.25 179.44 3dde h ARG 211 N 0.12 0.00 -0.65 0.00 3.08 -1.04 -2.71 114.38 113.18 3dde h ARG 211 Ca 0.02 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 3dde h ARG 211 Cb 0.40 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 3dde h ARG 211 CO 0.03 0.15 0.18 0.82 -1.07 0.00 0.00 179.97 180.08 3dde h ILE 212 N 0.00 1.25 -0.83 2.04 2.04 -1.24 -1.95 117.51 118.82 3dde h ILE 212 Ca -0.00 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.01 3dde h ILE 212 Cb 0.49 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 3dde h ILE 212 CO 0.02 0.34 0.55 -0.07 0.00 0.00 0.00 178.15 178.99 3dde h LEU 213 N 0.94 0.88 -0.22 1.44 3.38 -1.53 0.65 115.31 120.85 3dde h LEU 213 Ca 0.21 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3dde h LEU 213 Cb 0.32 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3dde h LEU 213 CO -0.00 0.60 0.00 0.44 0.09 0.00 0.00 178.44 179.57 3dde h ASP 214 N 1.02 0.38 -0.64 -0.43 3.32 -1.48 -1.23 116.42 117.36 3dde h ASP 214 Ca 0.34 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3dde h ASP 214 Cb 0.06 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3dde h ASP 214 CO -0.10 0.60 0.26 0.44 -1.72 0.00 0.00 179.24 178.71 3dde h ASP 215 N 0.16 0.88 -0.47 6.45 5.19 -0.85 -1.21 116.42 126.56 3dde h ASP 215 Ca 0.06 -0.17 0.02 0.00 -0.62 0.00 0.00 57.03 56.33 3dde h ASP 215 Cb 0.40 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.65 3dde h ASP 215 CO 0.01 0.80 0.27 0.58 -3.12 0.00 0.00 179.24 177.79 3dde h VAL 216 N 0.89 1.03 -0.21 -1.35 2.07 -0.82 -1.68 116.25 116.19 3dde h VAL 216 Ca 0.21 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3dde h VAL 216 Cb 0.20 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3dde h VAL 216 CO -0.02 0.10 0.04 -0.25 0.02 0.00 0.00 177.57 177.46 3dde h TRP 217 N 0.54 0.36 -0.34 1.57 2.91 -1.04 -1.11 115.95 118.84 3dde h TRP 217 Ca 0.19 -0.05 0.04 0.00 1.13 0.00 0.00 58.89 60.20 3dde h TRP 217 Cb 0.03 -0.10 -0.04 0.00 -0.51 0.00 0.00 29.16 28.55 3dde h TRP 217 CO -0.07 0.47 0.11 0.87 -1.03 0.00 0.00 178.44 178.78 3dde h LYS 218 N 0.14 0.24 0.00 2.65 1.79 -1.06 -1.35 116.57 118.98 3dde h LYS 218 Ca 0.06 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.45 3dde h LYS 218 Cb 0.30 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 3dde h LYS 218 CO 0.00 0.16 -0.34 0.93 -1.08 0.00 0.00 179.45 179.12 3dde h GLU 219 N 0.25 0.00 -0.26 3.15 4.39 -1.28 -2.35 114.58 118.48 3dde h GLU 219 Ca 0.15 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.70 3dde h GLU 219 Cb 0.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3dde h GLU 219 CO -0.16 0.34 -0.44 -0.92 -1.16 0.00 0.00 179.01 176.66 3dde h TYR 220 N 0.00 0.81 -0.27 4.33 3.20 -0.61 0.19 116.97 124.61 3dde h TYR 220 Ca -0.00 -0.25 -0.16 0.00 3.14 0.00 0.00 58.73 61.46 3dde h TYR 220 Cb 0.67 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3dde h TYR 220 CO 0.00 0.99 -0.47 1.96 -1.64 0.00 0.00 178.16 179.00 3dde h GLN 221 N 0.54 0.71 0.00 1.82 4.20 -0.99 -2.67 115.11 118.71 3dde h GLN 221 Ca 0.04 -0.40 -0.11 0.00 0.06 0.00 0.00 58.65 58.24 3dde h GLN 221 Cb 0.98 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.78 3dde h GLN 221 CO 0.09 1.02 -0.51 -0.07 -0.67 0.00 0.00 178.83 178.69 3dde h LEU 222 N 0.56 0.00 -0.27 1.46 4.07 -1.36 -3.23 115.31 116.55 3dde h LEU 222 Ca 0.03 0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.02 3dde h LEU 222 Cb 1.02 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.74 3dde h LEU 222 CO 0.10 0.51 0.10 0.15 -1.08 0.00 0.00 178.44 178.21 3dde h PHE 223 N 0.00 0.17 -0.65 1.13 3.57 -0.27 -1.99 116.94 118.91 3dde h PHE 223 Ca -0.01 0.01 -0.52 0.00 3.53 0.00 0.00 57.97 60.99 3dde h PHE 223 Cb 0.94 -0.04 -0.10 0.00 2.79 0.00 0.00 35.95 39.54 3dde h PHE 223 CO 0.00 0.08 1.34 0.00 -2.23 0.00 0.00 178.31 177.50 3dde n GLN 224 N -5.03 3.11 0.00 1.11 0.00 -1.16 -4.71 117.38 110.70 3dde n GLN 224 Ca -0.01 -2.29 0.00 0.00 0.00 0.00 0.00 57.00 54.70 3dde n GLN 224 Cb 0.09 -2.35 0.00 0.00 0.00 0.00 0.00 30.24 27.98 3dde n GLN 224 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3dde n SER 225 N 1.96 0.00 -1.82 2.61 7.64 -0.78 -5.05 113.62 118.19 3dde n SER 225 Ca 0.56 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 60.24 3dde n SER 225 Cb 0.50 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.77 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 6.08 2.88 0.23 0.00 -1.02 -4.87 105.19 108.48 3dde n GLY 226 Ca 0.00 -2.35 -0.30 0.00 0.00 0.00 0.00 46.02 43.37 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 -3.56 1.88 -0.14 4.61 0.00 -1.04 -4.99 121.76 118.53 3dde s ALA 227 Ca 0.51 -1.52 -0.00 0.00 0.00 0.00 0.00 51.96 50.95 3dde s ALA 227 Cb 0.42 -1.52 0.12 0.00 0.00 0.00 0.00 23.12 22.13 3dde s ALA 227 CO 0.02 -1.37 1.75 0.43 0.00 0.00 0.00 175.76 176.58 3dde n SER 228 N 4.70 5.00 0.23 0.00 7.64 -1.26 -4.28 113.62 125.65 3dde n SER 228 Ca -0.07 -2.61 0.12 0.00 1.01 0.00 0.00 58.87 57.32 3dde n SER 228 Cb 0.44 -0.93 0.51 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.90 0.00 -0.86 6.43 1.82 -1.95 -3.46 116.42 119.31 3dde h ASP 229 Ca 0.14 0.00 -0.66 0.00 -0.39 0.00 0.00 57.03 56.12 3dde h ASP 229 Cb 1.11 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 40.99 3dde h ASP 229 CO 0.33 0.17 -0.52 -0.13 -1.61 0.00 0.00 179.24 177.48 3dde s ARG 230 N -3.65 2.14 -0.19 0.28 1.81 -1.26 -5.15 118.95 112.93 3dde s ARG 230 Ca 0.01 -2.35 -0.02 0.00 -1.72 0.00 0.00 55.73 51.64 3dde s ARG 230 Cb 0.10 -1.39 0.06 0.00 -0.45 0.00 0.00 34.95 33.26 3dde s ARG 230 CO 0.62 -0.36 0.02 1.52 -0.68 0.00 0.00 175.30 176.41 3dde s TYR 231 N -2.92 1.19 0.00 -0.53 -0.85 -1.26 -5.14 117.35 107.84 3dde s TYR 231 Ca 0.10 -0.92 0.00 0.00 -0.52 0.00 0.00 57.07 55.73 3dde s TYR 231 Cb 0.02 -1.09 0.00 0.00 0.38 0.00 0.00 41.96 41.27 3dde s TYR 231 CO 0.05 -0.61 0.00 0.00 -1.52 0.00 0.00 175.55 173.48