#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hde n PRO 2 N 0.00 0.83 0.19 3.17 -0.02 -1.26 -4.81 135.00 133.09 3hde n PRO 2 Ca 0.00 -0.35 0.15 0.00 -2.02 0.00 0.00 63.50 61.28 3hde n PRO 2 Cb 0.00 -3.51 0.56 0.00 -0.02 0.00 0.00 33.50 30.52 3hde n PRO 2 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hde h PRO 3 N 16.76 0.00 -0.62 0.52 0.11 -2.06 2.69 132.00 149.40 3hde h PRO 3 Ca -0.14 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.95 3hde h PRO 3 Cb 1.16 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3hde h PRO 3 CO 1.10 0.00 0.29 1.03 -0.21 0.00 0.00 178.00 180.21 3hde h SER 4 N 0.00 0.80 0.67 -2.05 0.87 -2.01 -2.75 113.55 109.09 3hde h SER 4 Ca 0.13 -0.09 -0.26 0.00 -1.23 0.00 0.00 61.79 60.34 3hde h SER 4 Cb 1.43 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 63.15 3hde h SER 4 CO -0.00 0.69 -1.43 0.25 -0.53 0.00 0.00 176.83 175.81 3hde h LEU 5 N 0.88 0.05 -2.07 2.23 5.85 0.44 -2.90 115.31 119.80 3hde h LEU 5 Ca 0.22 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.92 3hde h LEU 5 Cb 0.11 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3hde h LEU 5 CO -0.03 1.07 0.19 -0.09 -0.34 0.00 0.00 178.44 179.24 3hde h ARG 6 N 0.01 0.00 0.14 1.25 9.65 -1.26 -1.77 114.38 122.41 3hde h ARG 6 Ca -0.18 0.00 -0.36 0.00 -1.10 0.00 0.00 59.98 58.34 3hde h ARG 6 Cb 1.92 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.49 3hde h ARG 6 CO 0.11 0.00 -1.92 0.87 2.80 0.00 0.00 179.97 181.83 3hde h LYS 7 N 0.00 0.31 -0.77 0.20 1.57 -1.48 -2.71 116.57 113.68 3hde h LYS 7 Ca 0.11 -0.52 -0.06 0.00 -1.87 0.00 0.00 60.65 58.32 3hde h LYS 7 Cb 0.49 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 3hde h LYS 7 CO -0.00 1.24 0.26 0.00 -0.57 0.00 0.00 179.45 180.38 3hde h ALA 8 N 0.10 1.00 0.29 3.86 0.00 -1.36 -0.19 119.26 122.97 3hde h ALA 8 Ca -0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 3hde h ALA 8 Cb 2.06 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3hde h ALA 8 CO 0.12 0.67 -0.14 0.28 0.00 0.00 0.00 179.25 180.17 3hde h VAL 9 N 1.13 0.73 -1.02 0.00 2.07 -1.46 -2.29 116.25 115.42 3hde h VAL 9 Ca 0.25 -0.52 0.25 0.00 0.82 0.00 0.00 66.70 67.50 3hde h VAL 9 Cb 0.28 1.01 -0.10 0.00 -1.52 0.00 0.00 31.29 30.96 3hde h VAL 9 CO -0.01 0.11 0.65 0.00 0.02 0.00 0.00 177.57 178.33 3hde h ALA 10 N -0.09 2.10 0.00 1.67 0.00 -1.36 0.59 119.26 122.16 3hde h ALA 10 Ca -0.04 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3hde h ALA 10 Cb 0.48 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hde h ALA 10 CO 0.07 -0.50 -0.09 0.00 0.00 0.00 0.00 179.25 178.72 3hde h ALA 11 N 1.64 0.99 0.00 0.00 0.00 -0.86 -3.15 119.26 117.88 3hde h ALA 11 Ca 0.59 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.39 3hde h ALA 11 Cb 1.37 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3hde h ALA 11 CO -0.32 0.12 -1.26 0.00 0.00 0.00 0.00 179.25 177.78 3hde n ALA 12 N -2.14 2.48 -0.28 0.00 0.00 0.19 -4.48 120.51 116.28 3hde n ALA 12 Ca 0.01 -0.34 0.13 0.00 0.00 0.00 0.00 53.44 53.24 3hde n ALA 12 Cb 0.40 -1.01 0.38 0.00 0.00 0.00 0.00 19.45 19.22 3hde n ALA 12 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3hde h ILE 13 N 0.00 0.80 0.00 0.00 2.04 -1.17 0.52 117.51 119.70 3hde h ILE 13 Ca -0.03 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3hde h ILE 13 Cb 1.10 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3hde h ILE 13 CO 0.01 0.12 -0.02 1.23 0.00 0.00 0.00 178.15 179.49 3hde h GLY 14 N 0.67 0.00 -0.70 5.37 0.00 -1.80 -0.93 103.07 105.68 3hde h GLY 14 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3hde h GLY 14 CO -0.23 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.92 3hde n GLY 15 N -0.93 0.18 2.77 4.60 0.00 0.17 -5.04 105.19 106.93 3hde n GLY 15 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3hde n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hde n GLY 16 N 1.20 -2.36 0.34 -0.02 0.00 -0.36 -3.86 105.19 100.13 3hde n GLY 16 Ca 0.18 -1.60 0.12 0.00 0.00 0.00 0.00 46.02 44.72 3hde n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hde h ALA 17 N 0.00 1.59 -0.37 4.61 0.00 -1.86 -1.30 119.26 121.93 3hde h ALA 17 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3hde h ALA 17 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hde h ALA 17 CO 0.00 -0.10 0.11 0.82 0.00 0.00 0.00 179.25 180.08 3hde h ILE 18 N 0.70 1.22 -0.73 0.00 1.08 -1.92 0.22 117.51 118.07 3hde h ILE 18 Ca 0.56 -0.72 -0.01 0.00 -0.39 0.00 0.00 64.86 64.31 3hde h ILE 18 Cb 0.90 0.98 -0.03 0.00 -3.07 0.00 0.00 36.82 35.59 3hde h ILE 18 CO -0.40 0.25 0.41 0.00 -0.69 0.00 0.00 178.15 177.72 3hde h ALA 19 N 0.95 0.93 -0.15 1.87 0.00 -1.43 -1.76 119.26 119.67 3hde h ALA 19 Ca 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hde h ALA 19 Cb 0.27 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hde h ALA 19 CO -0.00 0.43 0.05 0.82 0.00 0.00 0.00 179.25 180.55 3hde h ILE 20 N 1.00 1.17 -0.45 0.00 2.04 -0.97 -2.58 117.51 117.72 3hde h ILE 20 Ca 0.26 -0.51 0.07 0.00 1.00 0.00 0.00 64.86 65.67 3hde h ILE 20 Cb 0.01 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 3hde h ILE 20 CO -0.04 0.16 0.10 0.00 0.00 0.00 0.00 178.15 178.36 3hde h ALA 21 N 0.88 0.50 -0.80 1.87 0.00 -0.82 -1.67 119.26 119.21 3hde h ALA 21 Ca 0.05 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.14 3hde h ALA 21 Cb 0.20 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3hde h ALA 21 CO -0.00 -0.30 0.52 0.77 0.00 0.00 0.00 179.25 180.24 3hde h SER 22 N 0.24 0.68 -0.19 0.00 0.02 -1.16 0.45 113.55 113.59 3hde h SER 22 Ca 0.22 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 3hde h SER 22 Cb 0.27 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3hde h SER 22 CO -0.28 0.41 0.01 0.58 -1.14 0.00 0.00 176.83 176.41 3hde h VAL 23 N 0.76 1.24 -0.26 2.27 2.07 -0.91 -0.39 116.25 121.02 3hde h VAL 23 Ca 0.37 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 3hde h VAL 23 Cb 0.42 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3hde h VAL 23 CO -0.14 0.25 -0.05 -0.07 0.02 0.00 0.00 177.57 177.58 3hde h LEU 24 N 0.10 0.39 0.04 2.57 3.38 -0.95 -1.07 115.31 119.77 3hde h LEU 24 Ca 0.06 -0.07 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 3hde h LEU 24 Cb 0.37 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.03 3hde h LEU 24 CO 0.01 0.49 -1.17 0.40 0.09 0.00 0.00 178.44 178.26 3hde h ILE 25 N 0.40 1.42 -0.02 1.22 2.04 -0.62 -3.28 117.51 118.66 3hde h ILE 25 Ca 0.08 -2.74 0.00 0.00 1.00 0.00 0.00 64.86 63.20 3hde h ILE 25 Cb 0.34 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 3hde h ILE 25 CO 0.01 0.81 -0.21 1.07 0.00 0.00 0.00 178.15 179.84 3hde n THR 26 N -3.66 0.00 -1.66 -0.27 5.66 -0.19 -4.95 114.28 109.22 3hde n THR 26 Ca -0.09 -0.25 -0.44 0.00 -3.05 0.00 0.00 64.05 60.22 3hde n THR 26 Cb 0.96 0.82 -0.02 0.00 -1.55 0.00 0.00 70.33 70.55 3hde n THR 26 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hde n GLY 27 N 1.32 0.45 3.68 1.09 0.00 -0.41 -4.89 105.19 106.43 3hde n GLY 27 Ca 0.13 0.38 -0.36 0.00 0.00 0.00 0.00 46.02 46.18 3hde n GLY 27 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hde n PRO 28 N 1.09 0.72 -4.22 1.61 -0.04 -1.26 -4.95 135.00 127.95 3hde n PRO 28 Ca 0.08 0.31 -0.18 0.00 -0.04 0.00 0.00 63.50 63.67 3hde n PRO 28 Cb 0.33 -2.40 -0.11 0.00 -0.04 0.00 0.00 33.50 31.28 3hde n PRO 28 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3hde s SER 29 N -1.61 1.92 0.00 3.54 1.04 -1.26 -5.02 113.70 112.31 3hde s SER 29 Ca 0.78 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 56.45 3hde s SER 29 Cb -0.35 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.70 3hde s SER 29 CO 0.46 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.16 3hde n GLY 30 N 0.74 0.13 0.09 7.32 0.00 -1.26 -4.51 105.19 107.69 3hde n GLY 30 Ca -0.17 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 3hde n GLY 30 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3hde h ASN 31 N 6.84 -0.06 -3.53 1.61 -0.00 -1.98 -3.48 115.58 114.97 3hde h ASN 31 Ca 0.00 -0.54 -0.09 0.00 -0.00 0.00 0.00 56.30 55.67 3hde h ASN 31 Cb 0.00 0.02 0.02 0.00 -0.00 0.00 0.00 38.32 38.36 3hde h ASN 31 CO 0.00 0.65 0.03 -0.90 -0.00 0.00 0.00 177.43 177.21 3hde n ASP 32 N -4.77 0.24 -1.63 6.14 5.68 -1.26 -5.03 116.55 115.93 3hde n ASP 32 Ca -0.07 -1.22 0.00 0.00 -0.50 0.00 0.00 54.79 53.01 3hde n ASP 32 Cb 0.29 -0.14 0.31 0.00 -1.14 0.00 0.00 41.12 40.43 3hde n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hde n GLY 33 N 3.39 3.75 3.73 6.12 0.00 -1.26 -4.55 105.19 116.37 3hde n GLY 33 Ca 0.03 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 3hde n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hde s LEU 34 N -2.94 4.08 0.22 0.99 1.43 -1.26 -4.87 118.68 116.32 3hde s LEU 34 Ca 0.51 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.84 3hde s LEU 34 Cb 0.41 -2.03 0.20 0.00 0.03 0.00 0.00 46.19 44.81 3hde s LEU 34 CO 0.12 0.24 1.55 1.05 0.23 0.00 0.00 176.35 179.53 3hde h GLU 35 N 6.22 0.40 -5.94 1.70 -0.00 -1.92 -3.37 114.58 111.67 3hde h GLU 35 Ca -0.43 -0.25 -0.45 0.00 -0.00 0.00 0.00 59.36 58.23 3hde h GLU 35 Cb 1.17 0.03 -0.03 0.00 -0.00 0.00 0.00 28.75 29.93 3hde h GLU 35 CO 0.69 0.85 -0.70 0.41 -0.00 0.00 0.00 179.01 180.25 3hde n GLY 36 N 0.20 -0.50 3.77 1.06 0.00 -1.26 -4.78 105.19 103.68 3hde n GLY 36 Ca -0.03 0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3hde n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hde s VAL 37 N -3.22 2.93 -0.23 1.61 0.11 -1.26 -5.02 120.40 115.33 3hde s VAL 37 Ca 0.58 0.66 -0.11 0.00 -2.93 0.00 0.00 61.98 60.18 3hde s VAL 37 Cb -0.29 -3.31 -0.05 0.00 -1.53 0.00 0.00 36.38 31.20 3hde s VAL 37 CO 0.72 -0.05 0.20 -0.55 -3.33 0.00 0.00 175.10 172.09 3hde s SER 38 N -1.43 6.19 0.00 3.54 0.15 -1.26 -4.97 113.70 115.92 3hde s SER 38 Ca 0.68 0.20 0.24 0.00 0.70 0.00 0.00 55.95 57.78 3hde s SER 38 Cb -0.29 -2.13 0.38 0.00 -1.71 0.00 0.00 66.02 62.27 3hde s SER 38 CO 0.34 0.05 1.32 -1.22 1.20 0.00 0.00 173.24 174.94 3hde n TYR 39 N 4.22 0.00 -5.03 3.44 4.01 -1.26 -0.64 117.16 121.90 3hde n TYR 39 Ca -0.14 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.28 3hde n TYR 39 Cb 0.52 -0.11 -0.15 0.00 -0.31 0.00 0.00 39.34 39.30 3hde n TYR 39 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3hde s ILE 40 N -2.69 2.65 0.51 -0.72 1.01 -1.26 -0.65 121.20 120.06 3hde s ILE 40 Ca 0.17 -0.86 -0.22 0.00 0.00 0.00 0.00 60.65 59.74 3hde s ILE 40 Cb 0.18 -2.02 -0.07 0.00 0.01 0.00 0.00 42.46 40.57 3hde s ILE 40 CO 0.63 0.57 1.26 -2.65 0.00 0.00 0.00 174.94 174.74 3hde n PRO 41 N 2.70 1.63 -4.12 2.79 -0.02 -1.26 -4.84 135.00 131.88 3hde n PRO 41 Ca -0.17 0.59 -0.10 0.00 -2.02 0.00 0.00 63.50 61.80 3hde n PRO 41 Cb 0.52 -2.43 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 3hde n PRO 41 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3hde s TYR 42 N -1.30 0.72 -0.35 6.00 -0.85 -0.44 -4.95 117.35 116.19 3hde s TYR 42 Ca 0.69 -0.86 -0.22 0.00 -0.52 0.00 0.00 57.07 56.15 3hde s TYR 42 Cb -0.45 -0.44 0.00 0.00 0.38 0.00 0.00 41.96 41.45 3hde s TYR 42 CO 0.52 -0.20 0.73 0.21 -1.52 0.00 0.00 175.55 175.30 3hde s LYS 43 N -3.32 3.78 1.12 -3.49 2.20 -1.26 -0.92 119.74 117.85 3hde s LYS 43 Ca 0.05 0.30 -0.19 0.00 -0.36 0.00 0.00 55.97 55.77 3hde s LYS 43 Cb 0.02 -3.79 0.27 0.00 -1.51 0.00 0.00 37.83 32.83 3hde s LYS 43 CO -0.05 -0.77 1.08 -0.40 -0.36 0.00 0.00 175.35 174.85 3hde n ASP 44 N 6.24 -1.62 0.26 1.43 5.68 -0.20 -4.79 116.55 123.55 3hde n ASP 44 Ca 0.02 -1.20 0.09 0.00 -0.50 0.00 0.00 54.79 53.20 3hde n ASP 44 Cb 0.48 -0.95 0.67 0.00 -1.14 0.00 0.00 41.12 40.18 3hde n ASP 44 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 3hde h ILE 45 N -2.49 0.92 -0.68 2.12 3.07 -1.96 -0.07 117.51 118.42 3hde h ILE 45 Ca -0.39 -0.13 -0.26 0.00 1.55 0.00 0.00 64.86 65.63 3hde h ILE 45 Cb 1.18 1.07 -0.16 0.00 -0.27 0.00 0.00 36.82 38.64 3hde h ILE 45 CO 0.26 0.04 0.27 1.33 -1.05 0.00 0.00 178.15 179.00 3hde n VAL 46 N -4.35 2.86 -0.99 0.16 0.24 -1.26 -4.94 118.33 110.06 3hde n VAL 46 Ca -0.03 -1.95 0.00 0.00 -2.04 0.00 0.00 64.34 60.32 3hde n VAL 46 Cb 0.12 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 3hde n VAL 46 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hde n GLY 47 N -0.62 0.45 3.61 7.63 0.00 -0.04 -5.03 105.19 111.19 3hde n GLY 47 Ca 0.42 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 3hde n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hde s VAL 48 N -2.00 4.94 0.10 1.61 1.01 -1.26 -4.76 120.40 120.04 3hde s VAL 48 Ca 0.00 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 3hde s VAL 48 Cb 0.00 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 33.02 3hde s VAL 48 CO 0.00 0.39 1.71 0.26 0.00 0.00 0.00 175.10 177.47 3hde s TRP 49 N 0.85 2.40 0.17 5.22 0.52 -1.26 -1.03 118.94 125.80 3hde s TRP 49 Ca 0.05 0.22 0.05 0.00 0.02 0.00 0.00 56.10 56.45 3hde s TRP 49 Cb -0.13 -4.05 -0.05 0.00 -1.15 0.00 0.00 33.47 28.10 3hde s TRP 49 CO 0.03 -4.21 -0.11 0.99 0.02 0.00 0.00 176.95 173.67 3hde s THR 50 N 2.48 1.30 0.17 2.01 2.01 -0.10 -4.37 115.64 119.14 3hde s THR 50 Ca 0.76 -2.10 -0.23 0.00 0.31 0.00 0.00 61.69 60.43 3hde s THR 50 Cb -0.43 -1.92 0.06 0.00 0.01 0.00 0.00 72.50 70.22 3hde s THR 50 CO 0.34 -0.69 0.65 0.54 -0.69 0.00 0.00 174.62 174.77 3hde s VAL 51 N -3.25 0.00 0.00 3.82 0.11 -0.43 -1.32 120.40 119.33 3hde s VAL 51 Ca 0.19 -0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 3hde s VAL 51 Cb 0.02 -1.22 0.00 0.00 -1.53 0.00 0.00 36.38 33.65 3hde s VAL 51 CO 0.02 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.79 3hde n HIS 53 N 14.00 1.40 -1.24 0.00 8.25 -1.26 -4.19 115.22 132.18 3hde n HIS 53 Ca 0.00 -2.12 0.00 0.00 -0.26 0.00 0.00 57.72 55.34 3hde n HIS 53 Cb 0.00 -1.68 0.00 0.00 1.12 0.00 0.00 29.99 29.43 3hde n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hde n GLY 54 N 1.88 0.49 3.73 -1.41 0.00 -1.12 -4.98 105.19 103.78 3hde n GLY 54 Ca 0.54 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 3hde n GLY 54 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hde s HIS 55 N -2.00 3.26 0.16 1.61 5.65 0.61 -4.80 115.29 119.79 3hde s HIS 55 Ca 0.00 1.19 0.07 0.00 0.25 0.00 0.00 55.06 56.57 3hde s HIS 55 Cb 0.00 -3.61 -0.04 0.00 -1.18 0.00 0.00 32.58 27.75 3hde s HIS 55 CO 0.00 -1.92 -0.14 0.95 -0.65 0.00 0.00 174.74 172.97 3hde s THR 56 N 0.25 1.54 0.00 0.89 -4.23 -1.26 -1.32 115.64 111.50 3hde s THR 56 Ca 0.58 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 3hde s THR 56 Cb -0.36 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 71.66 3hde s THR 56 CO 0.37 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 3hde n GLY 57 N 0.05 4.09 0.30 3.99 0.00 -1.26 -4.92 105.19 107.44 3hde n GLY 57 Ca -0.12 -1.25 0.15 0.00 0.00 0.00 0.00 46.02 44.81 3hde n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hde h LYS 58 N 0.00 0.00 0.00 1.61 6.56 -2.01 -2.25 116.57 120.48 3hde h LYS 58 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3hde h LYS 58 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3hde h LYS 58 CO 0.00 0.00 0.00 -0.40 -2.06 0.00 0.00 179.45 176.99 3hde n ASP 59 N -3.83 0.00 -4.74 0.86 5.75 -1.26 -4.79 116.55 108.53 3hde n ASP 59 Ca -0.02 0.21 -0.41 0.00 -0.01 0.00 0.00 54.79 54.56 3hde n ASP 59 Cb 0.12 -0.35 -0.03 0.00 -1.03 0.00 0.00 41.12 39.82 3hde n ASP 59 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3hde s ILE 60 N -2.70 3.24 -0.33 2.12 1.01 -0.85 -5.00 121.20 118.69 3hde s ILE 60 Ca 0.11 1.04 -0.07 0.00 0.00 0.00 0.00 60.65 61.73 3hde s ILE 60 Cb 0.09 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.92 3hde s ILE 60 CO 0.22 0.16 0.12 -0.04 0.00 0.00 0.00 174.94 175.40 3hde s MET 61 N -0.27 2.82 0.40 2.79 -1.94 -1.26 -5.01 119.30 116.83 3hde s MET 61 Ca 0.55 -1.05 0.11 0.00 -1.71 0.00 0.00 55.69 53.60 3hde s MET 61 Cb -0.36 -3.48 0.93 0.00 2.01 0.00 0.00 34.83 33.92 3hde s MET 61 CO 0.39 -0.60 1.94 -0.07 -0.01 0.00 0.00 175.02 176.67 3hde h LEU 62 N 8.27 0.50 -0.36 -0.03 3.38 -1.96 -1.06 115.31 124.05 3hde h LEU 62 Ca -0.26 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3hde h LEU 62 Cb 1.10 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3hde h LEU 62 CO 0.61 0.29 0.00 1.23 0.09 0.00 0.00 178.44 180.66 3hde h GLY 63 N 0.55 0.00 -3.89 0.83 0.00 -1.96 -3.42 103.07 95.18 3hde h GLY 63 Ca 0.34 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 47.17 3hde h GLY 63 CO -0.12 0.00 0.46 1.25 0.00 0.00 0.00 176.54 178.13 3hde s LYS 64 N -3.30 4.65 -0.63 4.80 2.20 -0.40 -4.97 119.74 122.08 3hde s LYS 64 Ca 0.06 1.74 -0.13 0.00 -0.36 0.00 0.00 55.97 57.28 3hde s LYS 64 Cb 0.07 -3.23 0.16 0.00 -1.51 0.00 0.00 37.83 33.32 3hde s LYS 64 CO 0.62 0.20 0.56 0.99 -0.36 0.00 0.00 175.35 177.36 3hde s THR 65 N -0.86 5.08 0.31 3.43 2.01 -1.26 -4.03 115.64 120.32 3hde s THR 65 Ca 0.46 -1.96 -0.29 0.00 0.31 0.00 0.00 61.69 60.21 3hde s THR 65 Cb -0.30 -4.23 -0.10 0.00 0.01 0.00 0.00 72.50 67.87 3hde s THR 65 CO 0.38 -0.91 1.28 -0.31 -0.69 0.00 0.00 174.62 174.37 3hde s TYR 66 N 0.98 3.16 0.72 4.92 2.02 0.18 -5.00 117.35 124.34 3hde s TYR 66 Ca 0.09 1.43 -0.11 0.00 -0.37 0.00 0.00 57.07 58.11 3hde s TYR 66 Cb -0.22 -3.61 0.03 0.00 -0.40 0.00 0.00 41.96 37.75 3hde s TYR 66 CO -0.02 -1.67 1.09 0.95 -1.57 0.00 0.00 175.55 174.34 3hde s THR 67 N -0.97 3.44 0.24 -0.71 -4.23 -1.26 -4.84 115.64 107.32 3hde s THR 67 Ca 0.49 0.47 -0.04 0.00 -1.18 0.00 0.00 61.69 61.43 3hde s THR 67 Cb -0.38 -3.40 0.21 0.00 1.34 0.00 0.00 72.50 70.28 3hde s THR 67 CO 0.49 -0.61 1.81 0.11 -0.54 0.00 0.00 174.62 175.88 3hde h LYS 68 N -0.75 0.78 -0.77 3.99 1.57 -2.00 -1.89 116.57 117.50 3hde h LYS 68 Ca -0.45 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.24 3hde h LYS 68 Cb 1.25 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 3hde h LYS 68 CO 0.62 0.52 0.32 0.00 -0.57 0.00 0.00 179.45 180.34 3hde h ALA 69 N 1.45 1.00 -0.53 3.86 0.00 -1.99 -1.45 119.26 121.60 3hde h ALA 69 Ca 0.39 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3hde h ALA 69 Cb 0.34 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hde h ALA 69 CO -0.24 0.62 -0.06 0.93 0.00 0.00 0.00 179.25 180.50 3hde h GLU 70 N 1.11 0.98 -0.75 0.00 5.08 -1.75 -0.24 114.58 119.00 3hde h GLU 70 Ca 0.26 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3hde h GLU 70 Cb 0.20 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 3hde h GLU 70 CO -0.02 1.02 0.37 0.00 -1.00 0.00 0.00 179.01 179.37 3hde h LYS 72 N 1.06 0.22 -0.43 0.00 3.64 -0.92 -1.50 116.57 118.63 3hde h LYS 72 Ca 0.26 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.63 3hde h LYS 72 Cb 0.09 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3hde h LYS 72 CO -0.03 0.24 0.25 0.00 -2.27 0.00 0.00 179.45 177.64 3hde h ALA 73 N 0.97 0.54 -0.64 5.00 0.00 -0.72 -1.58 119.26 122.83 3hde h ALA 73 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hde h ALA 73 Cb 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3hde h ALA 73 CO -0.01 -0.08 0.39 -0.07 0.00 0.00 0.00 179.25 179.49 3hde h LEU 74 N 0.50 0.76 -0.26 0.00 3.38 -1.08 -0.15 115.31 118.47 3hde h LEU 74 Ca 0.17 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3hde h LEU 74 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3hde h LEU 74 CO -0.08 0.59 0.15 0.25 0.09 0.00 0.00 178.44 179.43 3hde h LEU 75 N 0.87 0.33 -0.77 1.67 5.85 -0.98 0.45 115.31 122.73 3hde h LEU 75 Ca 0.23 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 3hde h LEU 75 Cb -0.04 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3hde h LEU 75 CO -0.04 0.32 0.23 0.78 -0.34 0.00 0.00 178.44 179.39 3hde h ASN 76 N 0.31 1.09 -0.23 1.25 2.35 -0.97 -0.12 115.58 119.26 3hde h ASN 76 Ca 0.09 -0.20 -0.14 0.00 -0.55 0.00 0.00 56.30 55.50 3hde h ASN 76 Cb 0.06 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 3hde h ASN 76 CO -0.02 1.00 -0.38 0.50 -1.65 0.00 0.00 177.43 176.88 3hde h LYS 77 N 1.11 0.67 -0.56 0.81 3.64 -0.86 -1.30 116.57 120.09 3hde h LYS 77 Ca 0.24 -0.41 0.01 0.00 -1.27 0.00 0.00 60.65 59.22 3hde h LYS 77 Cb 0.31 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 3hde h LYS 77 CO -0.01 1.03 0.36 -0.44 -2.27 0.00 0.00 179.45 178.12 3hde h ASP 78 N 0.38 0.62 0.01 4.20 3.32 -0.76 -1.42 116.42 122.78 3hde h ASP 78 Ca 0.02 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 3hde h ASP 78 Cb 0.98 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 3hde h ASP 78 CO 0.09 0.45 -0.32 -0.07 -1.72 0.00 0.00 179.24 177.66 3hde h LEU 79 N 0.74 0.46 -0.88 1.55 3.38 -0.94 -1.08 115.31 118.54 3hde h LEU 79 Ca 0.21 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3hde h LEU 79 Cb -0.07 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3hde h LEU 79 CO -0.05 0.76 0.46 0.00 0.09 0.00 0.00 178.44 179.69 3hde h ALA 80 N 1.27 1.14 -0.30 1.53 0.00 -0.92 -0.96 119.26 121.02 3hde h ALA 80 Ca 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3hde h ALA 80 Cb 0.76 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hde h ALA 80 CO 0.06 0.67 0.13 1.15 0.00 0.00 0.00 179.25 181.26 3hde h THR 81 N 1.25 1.17 -0.26 0.00 2.02 -0.70 -1.49 112.91 114.90 3hde h THR 81 Ca 0.31 -0.51 0.06 0.00 0.77 0.00 0.00 66.41 67.04 3hde h THR 81 Cb 0.07 0.95 -0.07 0.00 -1.74 0.00 0.00 68.15 67.36 3hde h THR 81 CO -0.04 0.18 -0.18 0.58 0.37 0.00 0.00 175.52 176.42 3hde h VAL 82 N 0.34 0.50 -0.29 3.16 2.07 -0.93 -0.52 116.25 120.58 3hde h VAL 82 Ca 0.10 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.68 3hde h VAL 82 Cb 0.16 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 3hde h VAL 82 CO -0.01 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.52 3hde h ALA 83 N 0.99 0.21 -1.01 1.67 0.00 -0.99 0.40 119.26 120.52 3hde h ALA 83 Ca 0.14 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.26 3hde h ALA 83 Cb 0.38 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 3hde h ALA 83 CO -0.36 -0.45 0.64 -0.09 0.00 0.00 0.00 179.25 178.99 3hde h ARG 84 N 0.02 1.03 0.00 0.00 2.43 -0.93 0.68 114.38 117.61 3hde h ARG 84 Ca 0.14 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.10 3hde h ARG 84 Cb 0.21 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3hde h ARG 84 CO -0.29 0.68 -0.76 1.96 -1.51 0.00 0.00 179.97 180.06 3hde h GLN 85 N 1.06 0.00 0.00 0.20 4.20 0.01 -3.39 115.11 117.19 3hde h GLN 85 Ca 0.48 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 59.07 3hde h GLN 85 Cb 0.38 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 3hde h GLN 85 CO -0.23 0.61 -1.66 0.44 -0.67 0.00 0.00 178.83 177.32 3hde n ILE 86 N -3.22 0.45 -0.32 2.54 -5.35 0.02 -4.70 119.36 108.78 3hde n ILE 86 Ca -0.00 -0.38 -0.00 0.00 -0.27 0.00 0.00 62.75 62.09 3hde n ILE 86 Cb 0.81 -0.35 0.17 0.00 -1.74 0.00 0.00 39.64 38.53 3hde n ILE 86 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 3hde h ASN 87 N 0.00 1.04 0.27 7.28 2.35 -1.05 -0.50 115.58 124.98 3hde h ASN 87 Ca -0.18 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 3hde h ASN 87 Cb 1.22 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.34 3hde h ASN 87 CO 0.01 0.74 0.00 -2.65 -1.65 0.00 0.00 177.43 173.88 3hde n PRO 88 N -4.41 0.05 0.06 0.81 -0.02 -1.26 -1.54 135.00 128.69 3hde n PRO 88 Ca 0.11 0.29 0.11 0.00 -2.02 0.00 0.00 63.50 61.99 3hde n PRO 88 Cb 0.04 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 3hde n PRO 88 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hde n TYR 89 N -1.42 0.59 -3.21 6.00 4.01 -0.20 -4.81 117.16 118.12 3hde n TYR 89 Ca 0.03 0.17 -0.41 0.00 -0.16 0.00 0.00 57.90 57.53 3hde n TYR 89 Cb 0.10 -0.73 -0.07 0.00 -0.31 0.00 0.00 39.34 38.32 3hde n TYR 89 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3hde s ILE 90 N -3.35 4.99 -0.75 -0.72 1.01 -0.59 -4.94 121.20 116.85 3hde s ILE 90 Ca -0.01 0.52 0.19 0.00 0.00 0.00 0.00 60.65 61.35 3hde s ILE 90 Cb 0.12 -3.96 -0.22 0.00 0.01 0.00 0.00 42.46 38.40 3hde s ILE 90 CO 0.82 -0.18 0.74 0.29 0.00 0.00 0.00 174.94 176.61 3hde n LYS 91 N 5.78 0.70 -4.15 2.79 4.01 -1.26 -4.95 118.16 121.08 3hde n LYS 91 Ca -0.04 -0.03 -0.24 0.00 -0.51 0.00 0.00 58.31 57.50 3hde n LYS 91 Cb 0.49 -1.41 -0.07 0.00 -0.51 0.00 0.00 35.03 33.53 3hde n LYS 91 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 3hde s VAL 92 N -2.89 2.78 0.09 -0.18 -7.23 -1.26 -5.11 120.40 106.60 3hde s VAL 92 Ca 0.05 -1.76 -0.27 0.00 -1.81 0.00 0.00 61.98 58.19 3hde s VAL 92 Cb 0.14 -2.94 -0.06 0.00 0.56 0.00 0.00 36.38 34.08 3hde s VAL 92 CO 0.79 -0.15 0.85 -0.62 -0.31 0.00 0.00 175.10 175.66 3hde s ASP 93 N -3.83 7.36 0.10 4.85 2.15 -1.26 -5.06 116.67 120.98 3hde s ASP 93 Ca 0.38 1.62 0.04 0.00 0.43 0.00 0.00 52.55 55.02 3hde s ASP 93 Cb -0.01 -2.52 -0.04 0.00 -0.30 0.00 0.00 42.92 40.05 3hde s ASP 93 CO 0.22 0.01 -0.10 0.27 -0.17 0.00 0.00 175.17 175.40 3hde s ILE 94 N -0.22 0.93 0.75 4.11 -4.36 -1.26 -5.15 121.20 116.01 3hde s ILE 94 Ca 0.41 -1.63 -0.14 0.00 -0.26 0.00 0.00 60.65 59.03 3hde s ILE 94 Cb -0.22 -1.35 0.05 0.00 1.25 0.00 0.00 42.46 42.19 3hde s ILE 94 CO 0.26 -0.56 1.20 -2.84 0.24 0.00 0.00 174.94 173.25 3hde s PRO 95 N -2.78 2.01 0.37 0.37 0.02 -1.26 -4.80 135.00 128.92 3hde s PRO 95 Ca 0.05 1.75 0.06 0.00 0.02 0.00 0.00 61.00 62.88 3hde s PRO 95 Cb -0.03 -1.82 0.70 0.00 0.02 0.00 0.00 34.50 33.38 3hde s PRO 95 CO -0.00 -1.93 1.92 0.93 -0.33 0.00 0.00 177.00 177.59 3hde h GLU 96 N -0.47 0.45 -0.61 5.54 4.39 -1.98 -0.85 114.58 121.04 3hde h GLU 96 Ca -0.47 -0.08 -0.08 0.00 0.34 0.00 0.00 59.36 59.06 3hde h GLU 96 Cb 1.29 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 3hde h GLU 96 CO 0.49 0.46 0.06 1.79 -1.16 0.00 0.00 179.01 180.65 3hde h THR 97 N 0.43 1.26 -0.11 1.13 1.35 -1.91 0.70 112.91 115.76 3hde h THR 97 Ca 0.10 -1.06 -0.05 0.00 -0.55 0.00 0.00 66.41 64.84 3hde h THR 97 Cb 0.27 0.72 -0.00 0.00 -1.73 0.00 0.00 68.15 67.41 3hde h THR 97 CO 0.01 0.39 -0.14 -0.03 -0.25 0.00 0.00 175.52 175.50 3hde h MET 98 N 0.96 0.29 -0.93 4.72 1.85 -1.55 -1.75 114.93 118.52 3hde h MET 98 Ca 0.18 -0.17 0.09 0.00 -0.61 0.00 0.00 59.70 59.20 3hde h MET 98 Cb 0.47 0.01 -0.07 0.00 0.43 0.00 0.00 31.60 32.45 3hde h MET 98 CO 0.02 0.72 0.60 -0.09 -0.40 0.00 0.00 176.91 177.76 3hde h ARG 99 N -0.12 0.95 -0.38 0.39 2.43 -1.03 -1.09 114.38 115.53 3hde h ARG 99 Ca 0.01 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 3hde h ARG 99 Cb 0.68 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3hde h ARG 99 CO 0.03 0.63 -0.21 0.78 -1.51 0.00 0.00 179.97 179.69 3hde h GLY 100 N 0.98 0.88 0.81 2.80 0.00 -0.77 -1.37 103.07 106.41 3hde h GLY 100 Ca 0.42 -0.81 0.05 0.00 0.00 0.00 0.00 47.33 46.99 3hde h GLY 100 CO -0.18 0.74 0.63 0.00 0.00 0.00 0.00 176.54 177.72 3hde h ALA 101 N 0.80 1.31 -0.39 3.60 0.00 -0.72 -1.90 119.26 121.96 3hde h ALA 101 Ca 0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3hde h ALA 101 Cb 0.77 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3hde h ALA 101 CO 0.06 0.47 -0.19 -0.07 0.00 0.00 0.00 179.25 179.51 3hde h LEU 102 N 1.18 0.75 -0.55 0.00 3.38 -0.92 -0.56 115.31 118.59 3hde h LEU 102 Ca 0.40 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3hde h LEU 102 Cb 0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3hde h LEU 102 CO -0.14 0.93 0.34 1.88 0.09 0.00 0.00 178.44 181.53 3hde h TYR 103 N 0.66 0.72 -0.37 1.13 0.05 -0.89 0.11 116.97 118.37 3hde h TYR 103 Ca 0.10 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 3hde h TYR 103 Cb 0.69 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 38.17 3hde h TYR 103 CO 0.03 0.49 0.22 1.03 -1.05 0.00 0.00 178.16 178.88 3hde h SER 104 N 0.74 0.44 0.11 3.88 0.87 -1.00 0.19 113.55 118.78 3hde h SER 104 Ca 0.20 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3hde h SER 104 Cb -0.02 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 3hde h SER 104 CO -0.04 0.37 -0.09 0.15 -0.53 0.00 0.00 176.83 176.69 3hde h PHE 105 N 0.48 -0.24 -0.17 2.24 3.57 -0.78 -2.93 116.94 119.10 3hde h PHE 105 Ca 0.13 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 3hde h PHE 105 Cb 0.01 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3hde h PHE 105 CO -0.04 -0.15 -0.37 0.28 -2.23 0.00 0.00 178.31 175.81 3hde h VAL 106 N -0.22 1.30 -0.35 1.41 2.07 -0.62 -1.05 116.25 118.79 3hde h VAL 106 Ca -0.00 -1.47 0.10 0.00 0.82 0.00 0.00 66.70 66.15 3hde h VAL 106 Cb 0.20 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3hde h VAL 106 CO -0.02 0.45 0.29 0.22 0.02 0.00 0.00 177.57 178.54 3hde h TYR 107 N 0.32 0.00 0.00 1.57 3.20 -0.49 0.30 116.97 121.88 3hde h TYR 107 Ca 0.03 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.67 3hde h TYR 107 Cb 0.80 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.04 3hde h TYR 107 CO 0.02 0.00 -1.37 -1.71 -1.64 0.00 0.00 178.16 173.46 3hde n ASN 108 N -4.16 1.87 0.02 -2.11 5.15 -0.64 -4.62 115.26 110.78 3hde n ASN 108 Ca 0.06 0.43 0.11 0.00 -0.60 0.00 0.00 54.58 54.58 3hde n ASN 108 Cb 0.47 -0.93 0.01 0.00 -0.53 0.00 0.00 39.78 38.80 3hde n ASN 108 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3hde n VAL 109 N -4.43 0.14 0.00 3.44 0.24 -0.49 -5.07 118.33 112.16 3hde n VAL 109 Ca -0.33 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 3hde n VAL 109 Cb 0.66 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 33.30 3hde n VAL 109 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hde n GLY 110 N 1.38 0.79 0.31 7.63 0.00 0.10 -4.40 105.19 111.01 3hde n GLY 110 Ca 0.02 -1.59 0.02 0.00 0.00 0.00 0.00 46.02 44.48 3hde n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hde h ALA 111 N 0.00 1.59 -0.11 4.61 0.00 -1.97 -2.13 119.26 121.25 3hde h ALA 111 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hde h ALA 111 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3hde h ALA 111 CO 0.00 0.35 0.07 0.78 0.00 0.00 0.00 179.25 180.45 3hde h GLY 112 N 0.71 0.15 1.16 0.00 0.00 -1.97 0.20 103.07 103.33 3hde h GLY 112 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 3hde h GLY 112 CO -0.03 0.05 0.40 3.43 0.00 0.00 0.00 176.54 180.39 3hde h ASN 113 N 0.15 0.98 -0.48 0.19 2.35 -1.70 -2.52 115.58 114.55 3hde h ASN 113 Ca 0.04 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3hde h ASN 113 Cb -0.01 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 3hde h ASN 113 CO -0.01 0.81 0.25 0.15 -1.65 0.00 0.00 177.43 176.98 3hde h PHE 114 N 1.09 0.67 -0.10 1.19 3.57 -0.87 -2.44 116.94 120.05 3hde h PHE 114 Ca 0.27 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 3hde h PHE 114 Cb 0.07 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3hde h PHE 114 CO 0.01 0.51 -0.24 0.00 -2.23 0.00 0.00 178.31 176.36 3hde h ARG 115 N 0.63 0.16 -0.70 1.11 3.08 -0.21 -1.93 114.38 116.53 3hde h ARG 115 Ca 0.17 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3hde h ARG 115 Cb 0.08 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3hde h ARG 115 CO -0.02 0.40 0.00 0.25 -1.07 0.00 0.00 179.97 179.53 3hde n THR 116 N -4.20 0.93 -2.69 2.04 -2.24 -1.00 -4.97 114.28 102.16 3hde n THR 116 Ca -0.01 -0.95 -0.35 0.00 -2.27 0.00 0.00 64.05 60.47 3hde n THR 116 Cb 0.33 0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 69.02 3hde n THR 116 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hde s SER 117 N -1.03 6.88 0.40 3.42 1.04 -0.73 -4.95 113.70 118.74 3hde s SER 117 Ca 0.47 1.86 0.11 0.00 0.48 0.00 0.00 55.95 58.87 3hde s SER 117 Cb 0.25 -2.56 0.83 0.00 0.10 0.00 0.00 66.02 64.64 3hde s SER 117 CO 0.33 -0.40 1.93 0.74 0.98 0.00 0.00 173.24 176.81 3hde h THR 118 N 2.08 1.17 -0.35 2.02 2.02 -1.89 -2.96 112.91 115.00 3hde h THR 118 Ca -0.48 -0.76 0.08 0.00 0.77 0.00 0.00 66.41 66.02 3hde h THR 118 Cb 1.20 1.25 -0.08 0.00 -1.74 0.00 0.00 68.15 68.78 3hde h THR 118 CO 0.62 0.23 -0.18 0.25 0.37 0.00 0.00 175.52 176.81 3hde h LEU 119 N 0.17 -0.60 -0.65 2.58 6.46 -1.91 -2.41 115.31 118.95 3hde h LEU 119 Ca 0.03 0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.93 3hde h LEU 119 Cb 0.37 0.33 -0.03 0.00 -0.73 0.00 0.00 40.66 40.59 3hde h LEU 119 CO 0.02 -0.21 0.39 0.25 -0.62 0.00 0.00 178.44 178.27 3hde h LEU 120 N -0.12 0.78 -0.49 2.25 5.85 -1.75 -2.32 115.31 119.51 3hde h LEU 120 Ca 0.18 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.90 3hde h LEU 120 Cb 0.39 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 3hde h LEU 120 CO -0.43 0.62 0.18 0.03 -0.34 0.00 0.00 178.44 178.49 3hde h ARG 121 N 0.88 0.35 -0.79 1.25 3.08 -1.45 -2.41 114.38 115.29 3hde h ARG 121 Ca 0.23 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 3hde h ARG 121 Cb -0.02 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 3hde h ARG 121 CO -0.04 0.23 0.41 0.87 -1.07 0.00 0.00 179.97 180.37 3hde h LYS 122 N 0.36 1.11 -0.24 0.04 1.57 -1.12 -1.74 116.57 116.55 3hde h LYS 122 Ca 0.23 -0.15 0.06 0.00 -1.87 0.00 0.00 60.65 58.93 3hde h LYS 122 Cb 0.24 -0.21 -0.07 0.00 0.08 0.00 0.00 32.23 32.26 3hde h LYS 122 CO -0.23 0.84 -0.26 0.82 -0.57 0.00 0.00 179.45 180.05 3hde h ILE 123 N 1.10 0.37 0.00 1.86 2.04 -0.95 -1.26 117.51 120.67 3hde h ILE 123 Ca 0.27 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.13 3hde h ILE 123 Cb 0.07 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3hde h ILE 123 CO -0.04 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.70 3hde n ASN 124 N -5.38 0.13 -0.97 1.72 3.02 -0.97 -1.21 115.26 111.59 3hde n ASN 124 Ca -0.01 0.52 0.05 0.00 -0.03 0.00 0.00 54.58 55.11 3hde n ASN 124 Cb 0.30 -0.55 0.19 0.00 -0.61 0.00 0.00 39.78 39.10 3hde n ASN 124 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hde n GLN 125 N -1.64 2.48 0.00 3.52 6.02 -0.55 -4.89 117.38 122.33 3hde n GLN 125 Ca 0.05 -1.47 0.00 0.00 -0.01 0.00 0.00 57.00 55.57 3hde n GLN 125 Cb 0.26 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 29.89 3hde n GLN 125 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hde n GLY 126 N 0.65 2.13 3.57 1.08 0.00 -0.35 -4.92 105.19 107.35 3hde n GLY 126 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3hde n GLY 126 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hde s ASP 127 N -2.36 6.05 0.07 1.61 2.15 -0.78 -4.83 116.67 118.59 3hde s ASP 127 Ca 0.00 -1.65 -0.19 0.00 0.43 0.00 0.00 52.55 51.14 3hde s ASP 127 Cb 0.00 -2.57 -0.10 0.00 -0.30 0.00 0.00 42.92 39.95 3hde s ASP 127 CO 0.00 -1.96 1.47 0.16 -0.17 0.00 0.00 175.17 174.67 3hde h ILE 128 N 6.39 1.28 -0.51 4.11 -0.00 -1.86 -2.63 117.51 124.29 3hde h ILE 128 Ca 0.26 -1.03 -0.07 0.00 -0.00 0.00 0.00 64.86 64.01 3hde h ILE 128 Cb 0.95 1.50 -0.02 0.00 -0.00 0.00 0.00 36.82 39.25 3hde h ILE 128 CO 1.36 0.32 0.03 0.11 -0.00 0.00 0.00 178.15 179.96 3hde h LYS 129 N 0.17 0.89 -0.72 0.16 1.57 -1.97 -2.09 116.57 114.58 3hde h LYS 129 Ca 0.06 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.60 3hde h LYS 129 Cb 0.50 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 3hde h LYS 129 CO 0.02 0.90 0.45 0.78 -0.57 0.00 0.00 179.45 181.03 3hde h GLY 130 N 0.76 1.04 0.96 3.86 0.00 -1.95 -1.46 103.07 106.26 3hde h GLY 130 Ca 0.15 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 3hde h GLY 130 CO 0.02 0.29 0.09 0.00 0.00 0.00 0.00 176.54 176.95 3hde h ALA 131 N 1.31 0.59 -0.78 3.60 0.00 -1.27 -2.35 119.26 120.36 3hde h ALA 131 Ca 0.29 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3hde h ALA 131 Cb 0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3hde h ALA 131 CO -0.11 0.29 0.51 0.00 0.00 0.00 0.00 179.25 179.94 3hde h ASP 133 N 0.99 0.11 -0.01 0.00 5.19 -0.86 -2.42 116.42 119.43 3hde h ASP 133 Ca 0.30 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 3hde h ASP 133 Cb -0.02 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.46 3hde h ASP 133 CO -0.08 0.38 0.05 1.56 -3.12 0.00 0.00 179.24 178.03 3hde h GLN 134 N 0.11 0.00 -0.17 3.56 1.08 -0.89 -2.19 115.11 116.61 3hde h GLN 134 Ca 0.02 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.27 3hde h GLN 134 Cb 0.52 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 3hde h GLN 134 CO 0.04 0.00 0.13 -0.07 -0.95 0.00 0.00 178.83 177.98 3hde h LEU 135 N 0.00 0.00 0.00 1.46 3.38 -1.50 -1.01 115.31 117.64 3hde h LEU 135 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hde h LEU 135 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3hde h LEU 135 CO -0.00 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.07 3hde n ARG 136 N -4.37 0.06 0.00 1.13 1.74 -0.82 -1.81 116.66 112.59 3hde n ARG 136 Ca 0.01 0.25 0.14 0.00 -0.77 0.00 0.00 57.85 57.48 3hde n ARG 136 Cb 0.26 -1.50 0.56 0.00 -1.02 0.00 0.00 32.46 30.76 3hde n ARG 136 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hde n ARG 137 N -1.44 0.55 -1.42 5.56 5.12 -0.38 -4.21 116.66 120.45 3hde n ARG 137 Ca 0.04 -0.20 -0.16 0.00 -1.93 0.00 0.00 57.85 55.59 3hde n ARG 137 Cb 0.13 -1.50 0.10 0.00 -1.16 0.00 0.00 32.46 30.04 3hde n ARG 137 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 3hde n TRP 138 N -1.05 2.00 0.25 -1.55 7.02 -0.75 -4.61 117.44 118.76 3hde n TRP 138 Ca 0.13 -2.08 0.12 0.00 -1.02 0.00 0.00 57.50 54.65 3hde n TRP 138 Cb 0.30 -0.52 0.21 0.00 -2.42 0.00 0.00 31.31 28.88 3hde n TRP 138 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 3hde h THR 139 N 1.56 0.00 -1.52 -0.99 1.35 -1.77 -3.47 112.91 108.06 3hde h THR 139 Ca 0.31 -0.94 -0.42 0.00 -0.55 0.00 0.00 66.41 64.81 3hde h THR 139 Cb 1.39 1.94 -0.13 0.00 -1.73 0.00 0.00 68.15 69.63 3hde h THR 139 CO 0.67 0.00 -0.42 -1.22 -0.25 0.00 0.00 175.52 174.30 3hde n TYR 140 N -3.05 -0.27 -0.19 4.73 4.01 -1.26 -3.86 117.16 117.28 3hde n TYR 140 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 3hde n TYR 140 Cb 0.51 -3.57 0.00 0.00 -0.31 0.00 0.00 39.34 35.97 3hde n TYR 140 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hde n ALA 141 N 0.44 0.00 -0.93 -0.72 0.00 -1.26 -5.13 120.51 112.90 3hde n ALA 141 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3hde n ALA 141 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 3hde n ALA 141 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hde n LEU 149 N 0.00 0.26 0.04 0.00 4.32 -1.25 -5.24 117.00 115.12 3hde n LEU 149 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.87 3hde n LEU 149 Cb 0.00 -0.71 -0.07 0.00 -1.62 0.00 0.00 43.42 41.02 3hde n LEU 149 CO 0.00 -0.20 0.86 0.24 -1.22 0.00 0.00 177.39 177.08 3hde h MET 150 N 1.47 0.00 0.01 3.23 2.86 -1.93 -2.18 114.93 118.40 3hde h MET 150 Ca 0.00 -0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.43 3hde h MET 150 Cb 0.13 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3hde h MET 150 CO 0.00 0.02 -0.92 1.79 1.06 0.00 0.00 176.91 178.86 3hde h THR 151 N -0.01 1.47 -0.44 2.22 1.35 -2.00 -2.62 112.91 112.89 3hde h THR 151 Ca 0.00 -2.61 0.06 0.00 -0.55 0.00 0.00 66.41 63.31 3hde h THR 151 Cb 0.01 2.49 -0.05 0.00 -1.73 0.00 0.00 68.15 68.87 3hde h THR 151 CO -0.00 0.77 0.12 -0.09 -0.25 0.00 0.00 175.52 176.07 3hde h ARG 152 N 0.14 0.26 -0.46 4.72 2.43 -1.99 -2.15 114.38 117.33 3hde h ARG 152 Ca -0.06 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 3hde h ARG 152 Cb 1.56 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 31.03 3hde h ARG 152 CO 0.15 0.17 -0.04 0.00 -1.51 0.00 0.00 179.97 178.74 3hde h ARG 153 N 0.27 0.78 -0.71 0.20 2.47 -1.30 -1.69 114.38 114.40 3hde h ARG 153 Ca 0.21 -0.23 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 3hde h ARG 153 Cb 0.23 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.44 3hde h ARG 153 CO -0.24 0.81 0.37 0.93 0.56 0.00 0.00 179.97 182.40 3hde h GLU 154 N 0.72 1.00 0.06 0.04 4.39 -1.11 -1.07 114.58 118.60 3hde h GLU 154 Ca 0.13 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hde h GLU 154 Cb 0.50 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3hde h GLU 154 CO 0.03 0.76 -0.03 0.82 -1.16 0.00 0.00 179.01 179.43 3hde h ILE 155 N 0.98 1.09 -0.81 3.13 2.04 -1.12 -1.97 117.51 120.85 3hde h ILE 155 Ca 0.25 -0.51 0.11 0.00 1.00 0.00 0.00 64.86 65.71 3hde h ILE 155 Cb 0.07 1.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.51 3hde h ILE 155 CO -0.04 0.13 0.53 -0.33 0.00 0.00 0.00 178.15 178.44 3hde h GLU 156 N -0.31 0.68 -0.35 2.37 5.08 -1.18 -1.34 114.58 119.53 3hde h GLU 156 Ca -0.01 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 3hde h GLU 156 Cb 0.27 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3hde h GLU 156 CO 0.01 0.45 -0.18 -0.09 -1.00 0.00 0.00 179.01 178.20 3hde h ARG 157 N 0.70 0.74 -0.36 2.33 2.43 -1.04 -0.36 114.38 118.83 3hde h ARG 157 Ca 0.38 -0.33 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3hde h ARG 157 Cb 0.53 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 3hde h ARG 157 CO -0.15 0.94 0.23 0.93 -1.51 0.00 0.00 179.97 180.40 3hde h GLU 158 N 0.52 0.45 -0.67 0.20 5.08 -0.48 -1.57 114.58 118.10 3hde h GLU 158 Ca 0.08 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3hde h GLU 158 Cb 0.73 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 3hde h GLU 158 CO 0.05 0.30 0.27 0.82 -1.00 0.00 0.00 179.01 179.45 3hde h ILE 159 N 0.46 1.24 -0.94 3.13 1.08 -1.41 -2.23 117.51 118.84 3hde h ILE 159 Ca 0.13 -0.75 0.16 0.00 -0.39 0.00 0.00 64.86 64.01 3hde h ILE 159 Cb -0.03 0.48 -0.08 0.00 -3.07 0.00 0.00 36.82 34.11 3hde h ILE 159 CO -0.04 0.30 0.60 0.00 -0.69 0.00 0.00 178.15 178.31 3hde n LEU 161 N -4.61 0.68 -0.12 0.00 4.77 -0.64 -4.37 117.00 112.70 3hde n LEU 161 Ca 0.19 -0.10 -0.03 0.00 -0.03 0.00 0.00 56.01 56.04 3hde n LEU 161 Cb 0.50 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 3hde n LEU 161 CO 0.27 0.15 0.48 1.87 -1.33 0.00 0.00 177.39 178.83 3hde n TRP 162 N -1.28 -0.12 -3.09 -1.77 -0.00 -0.51 -4.13 117.44 106.54 3hde n TRP 162 Ca 0.07 0.35 -0.45 0.00 -0.00 0.00 0.00 57.50 57.48 3hde n TRP 162 Cb 0.34 -0.51 -0.02 0.00 -0.00 0.00 0.00 31.31 31.12 3hde n TRP 162 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 3hde s GLY 163 N -1.45 2.40 0.00 5.87 0.00 -1.26 -5.12 107.32 107.76 3hde s GLY 163 Ca -0.03 -3.18 0.00 0.00 0.00 0.00 0.00 44.72 41.50 3hde s GLY 163 CO 0.18 1.73 0.00 -0.18 0.00 0.00 0.00 173.10 174.83