#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6u s LEU 3 N 0.00 3.85 0.44 1.04 1.02 -1.26 -5.03 118.68 118.75 1i6u s LEU 3 Ca 0.00 1.86 -0.22 0.00 0.02 0.00 0.00 54.13 55.78 1i6u s LEU 3 Cb 0.00 -4.55 -0.09 0.00 0.02 0.00 0.00 46.19 41.57 1i6u s LEU 3 CO 0.00 -0.69 1.05 -0.32 0.02 0.00 0.00 176.35 176.41 1i6u s MET 4 N -3.28 3.97 0.42 1.70 -2.45 -1.26 -4.96 119.30 113.44 1i6u s MET 4 Ca 0.66 1.47 -0.25 0.00 -1.25 0.00 0.00 55.69 56.32 1i6u s MET 4 Cb -0.14 -2.34 -0.10 0.00 1.25 0.00 0.00 34.83 33.49 1i6u s MET 4 CO 0.19 -0.30 1.12 -0.40 1.05 0.00 0.00 175.02 176.68 1i6u n ASP 5 N -0.49 1.78 -0.38 1.11 5.75 -1.26 -4.62 116.55 118.44 1i6u n ASP 5 Ca 0.07 1.07 -0.03 0.00 -0.01 0.00 0.00 54.79 55.89 1i6u n ASP 5 Cb 0.51 -1.41 0.02 0.00 -1.03 0.00 0.00 41.12 39.20 1i6u n ASP 5 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 1i6u n PRO 6 N 0.11 -0.26 -0.15 0.11 -0.02 -1.26 -0.48 135.00 133.06 1i6u n PRO 6 Ca 0.08 1.48 -0.10 0.00 -2.02 0.00 0.00 63.50 62.94 1i6u n PRO 6 Cb 0.39 -2.20 -0.01 0.00 -0.02 0.00 0.00 33.50 31.66 1i6u n PRO 6 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1i6u h LEU 7 N 0.00 0.75 -0.27 2.45 5.85 -1.92 -0.10 115.31 122.06 1i6u h LEU 7 Ca 0.30 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1i6u h LEU 7 Cb 0.55 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1i6u h LEU 7 CO -0.95 0.88 0.15 0.00 -0.34 0.00 0.00 178.44 178.18 1i6u h ALA 8 N 0.89 0.33 -0.46 1.25 0.00 -1.66 -0.97 119.26 118.63 1i6u h ALA 8 Ca 0.12 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1i6u h ALA 8 Cb 0.51 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1i6u h ALA 8 CO 0.03 -0.24 0.21 -0.97 0.00 0.00 0.00 179.25 178.28 1i6u h ASN 9 N 0.31 0.29 -0.36 0.00 -1.24 -0.57 0.25 115.58 114.26 1i6u h ASN 9 Ca 0.11 0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.14 1i6u h ASN 9 Cb 0.01 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 1i6u h ASN 9 CO -0.06 0.21 0.21 0.00 -1.29 0.00 0.00 177.43 176.50 1i6u h ALA 10 N 1.26 0.46 -0.09 1.57 0.00 -0.62 -1.86 119.26 119.98 1i6u h ALA 10 Ca 0.21 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1i6u h ALA 10 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1i6u h ALA 10 CO -0.16 -0.02 -0.30 -0.07 0.00 0.00 0.00 179.25 178.69 1i6u h LEU 11 N 0.47 0.17 -0.03 0.00 3.38 -0.70 -1.99 115.31 116.60 1i6u h LEU 11 Ca 0.13 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1i6u h LEU 11 Cb 0.03 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1i6u h LEU 11 CO -0.02 0.47 -0.00 0.78 0.09 0.00 0.00 178.44 179.75 1i6u h ASN 12 N 0.15 0.06 -0.15 -0.43 2.35 -0.57 -1.45 115.58 115.54 1i6u h ASN 12 Ca 0.02 -0.35 0.02 0.00 -0.55 0.00 0.00 56.30 55.44 1i6u h ASN 12 Cb 0.62 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 1i6u h ASN 12 CO 0.04 0.39 0.03 0.45 -1.65 0.00 0.00 177.43 176.70 1i6u h HIS 13 N -0.28 0.05 -0.19 1.19 3.86 -1.19 -1.48 115.15 117.11 1i6u h HIS 13 Ca 0.01 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1i6u h HIS 13 Cb 0.37 -0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.79 1i6u h HIS 13 CO 0.05 0.02 -0.09 0.82 0.86 0.00 0.00 177.93 179.58 1i6u h ILE 14 N 0.10 0.70 -0.24 2.45 2.04 -1.38 0.57 117.51 121.75 1i6u h ILE 14 Ca 0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.98 1i6u h ILE 14 Cb 0.06 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 36.76 1i6u h ILE 14 CO -0.09 0.00 -0.47 -1.28 0.00 0.00 0.00 178.15 176.31 1i6u h SER 15 N -0.08 -1.51 -0.38 1.72 0.87 -0.82 -0.43 113.55 112.92 1i6u h SER 15 Ca 0.11 0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.81 1i6u h SER 15 Cb 0.23 0.62 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 1i6u h SER 15 CO -0.24 -0.42 0.03 0.78 -0.53 0.00 0.00 176.83 176.45 1i6u h ASN 16 N -0.46 0.63 0.60 6.23 2.35 -0.93 -1.08 115.58 122.93 1i6u h ASN 16 Ca 0.08 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 1i6u h ASN 16 Cb 0.63 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 1i6u h ASN 16 CO -0.48 0.76 -0.04 0.00 -1.65 0.00 0.00 177.43 176.02 1i6u h GLU 18 N 0.00 0.41 -0.23 0.00 4.57 -0.70 0.22 114.58 118.85 1i6u h GLU 18 Ca -0.00 -0.59 -0.01 0.00 -1.18 0.00 0.00 59.36 57.59 1i6u h GLU 18 Cb 0.34 0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 1i6u h GLU 18 CO 0.00 1.25 0.11 -0.09 -1.18 0.00 0.00 179.01 179.11 1i6u h ARG 19 N -0.15 0.33 0.00 1.92 2.43 -0.28 -1.98 114.38 116.65 1i6u h ARG 19 Ca -0.14 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1i6u h ARG 19 Cb 1.65 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.14 1i6u h ARG 19 CO 0.17 0.34 0.00 0.28 -1.51 0.00 0.00 179.97 179.25 1i6u n VAL 20 N -4.84 1.23 -0.64 0.20 0.31 0.37 -4.86 118.33 110.10 1i6u n VAL 20 Ca -0.03 0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 1i6u n VAL 20 Cb 0.10 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 1i6u n VAL 20 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i6u n GLY 21 N -0.37 0.68 3.74 2.92 0.00 -0.75 -5.05 105.19 106.37 1i6u n GLY 21 Ca 0.03 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1i6u n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i6u s LYS 22 N -0.43 2.68 0.00 1.61 1.02 0.75 -4.92 119.74 120.44 1i6u s LYS 22 Ca 0.00 1.86 0.25 0.00 0.02 0.00 0.00 55.97 58.10 1i6u s LYS 22 Cb 0.00 -1.89 0.54 0.00 -0.52 0.00 0.00 37.83 35.97 1i6u s LYS 22 CO 0.00 -1.44 1.46 1.63 -0.92 0.00 0.00 175.35 176.08 1i6u n LYS 23 N -1.93 2.09 -3.50 1.68 5.02 -1.26 -4.67 118.16 115.59 1i6u n LYS 23 Ca 0.14 -1.60 -0.11 0.00 -2.02 0.00 0.00 58.31 54.72 1i6u n LYS 23 Cb 0.49 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 1i6u n LYS 23 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i6u s VAL 24 N -1.91 0.00 -0.06 -0.18 1.01 -1.26 -2.25 120.40 115.76 1i6u s VAL 24 Ca 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 62.16 1i6u s VAL 24 Cb 0.20 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.61 1i6u s VAL 24 CO 0.31 0.00 0.35 0.54 0.00 0.00 0.00 175.10 176.30 1i6u s VAL 25 N -2.73 0.04 -0.22 2.92 0.11 -0.67 -4.89 120.40 114.96 1i6u s VAL 25 Ca 0.01 -0.29 -0.03 0.00 -2.93 0.00 0.00 61.98 58.74 1i6u s VAL 25 Cb -0.01 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 1i6u s VAL 25 CO -0.06 -0.16 -0.06 -0.31 -3.33 0.00 0.00 175.10 171.18 1i6u s TYR 26 N -0.82 2.96 -0.26 1.54 1.51 -1.26 -0.58 117.35 120.43 1i6u s TYR 26 Ca -0.09 -1.14 -0.13 0.00 -1.01 0.00 0.00 57.07 54.70 1i6u s TYR 26 Cb -0.04 -2.08 -0.04 0.00 -0.11 0.00 0.00 41.96 39.69 1i6u s TYR 26 CO 0.03 -0.62 0.30 0.42 -1.11 0.00 0.00 175.55 174.57 1i6u s ILE 27 N 1.43 5.24 0.00 2.71 -1.09 0.14 -4.93 121.20 124.70 1i6u s ILE 27 Ca 0.05 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.89 1i6u s ILE 27 Cb -0.15 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 1i6u s ILE 27 CO -0.05 0.22 0.16 0.29 -1.23 0.00 0.00 174.94 174.33 1i6u n LYS 28 N 4.99 0.00 -1.68 2.79 5.02 -1.26 -1.08 118.16 126.94 1i6u n LYS 28 Ca -0.11 0.00 -0.48 0.00 -2.02 0.00 0.00 58.31 55.70 1i6u n LYS 28 Cb 0.51 -0.59 -0.05 0.00 -0.02 0.00 0.00 35.03 34.89 1i6u n LYS 28 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1i6u n PRO 29 N -0.21 2.12 -3.27 1.97 -0.02 -1.26 -4.13 135.00 130.19 1i6u n PRO 29 Ca 0.00 0.77 -0.29 0.00 -2.02 0.00 0.00 63.50 61.96 1i6u n PRO 29 Cb 0.00 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 30.84 1i6u n PRO 29 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i6u n ALA 30 N 5.41 4.37 -1.26 3.55 0.00 -1.23 -4.88 120.51 126.46 1i6u n ALA 30 Ca 0.21 -4.77 -0.30 0.00 0.00 0.00 0.00 53.44 48.58 1i6u n ALA 30 Cb 0.29 -1.07 0.11 0.00 0.00 0.00 0.00 19.45 18.77 1i6u n ALA 30 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1i6u s SER 31 N -2.55 4.00 0.30 0.00 1.04 -1.26 -4.77 113.70 110.47 1i6u s SER 31 Ca 0.40 1.61 0.00 0.00 0.48 0.00 0.00 55.95 58.45 1i6u s SER 31 Cb 0.16 -2.31 0.48 0.00 0.10 0.00 0.00 66.02 64.46 1i6u s SER 31 CO -0.02 -2.32 1.88 0.11 0.98 0.00 0.00 173.24 173.87 1i6u h LYS 32 N -1.33 0.81 -0.15 4.02 6.56 -1.98 -1.76 116.57 122.73 1i6u h LYS 32 Ca -0.47 -0.13 0.02 0.00 -1.06 0.00 0.00 60.65 59.01 1i6u h LYS 32 Cb 1.26 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 32.76 1i6u h LYS 32 CO 0.54 0.68 0.03 1.25 -2.06 0.00 0.00 179.45 179.88 1i6u h LEU 33 N 0.79 0.01 -0.64 2.94 6.46 -1.99 0.80 115.31 123.69 1i6u h LEU 33 Ca 0.19 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1i6u h LEU 33 Cb 0.18 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 1i6u h LEU 33 CO -0.01 0.03 0.41 0.40 -0.62 0.00 0.00 178.44 178.65 1i6u h ILE 34 N 0.10 1.17 -0.44 4.05 2.04 -1.81 -0.22 117.51 122.40 1i6u h ILE 34 Ca 0.07 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.60 1i6u h ILE 34 Cb 0.06 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1i6u h ILE 34 CO -0.09 0.17 0.29 1.23 0.00 0.00 0.00 178.15 179.75 1i6u h GLY 35 N 0.86 0.62 1.46 5.37 0.00 -0.88 -0.03 103.07 110.46 1i6u h GLY 35 Ca 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1i6u h GLY 35 CO -0.05 0.22 0.28 3.21 0.00 0.00 0.00 176.54 180.20 1i6u h ARG 36 N 0.59 0.71 -0.33 4.80 3.08 -0.23 -1.06 114.38 121.95 1i6u h ARG 36 Ca 0.16 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 59.97 1i6u h ARG 36 Cb -0.06 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 1i6u h ARG 36 CO -0.04 0.53 -0.48 0.28 -1.07 0.00 0.00 179.97 179.19 1i6u h VAL 37 N 0.72 1.27 -0.35 2.04 2.07 -0.21 -3.02 116.25 118.77 1i6u h VAL 37 Ca 0.19 -1.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.00 1i6u h VAL 37 Cb 0.03 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1i6u h VAL 37 CO -0.03 0.55 -0.00 -0.07 0.02 0.00 0.00 177.57 178.03 1i6u h LEU 38 N 0.70 0.52 -1.12 2.57 3.38 -0.40 -2.30 115.31 118.65 1i6u h LEU 38 Ca 0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1i6u h LEU 38 Cb 1.07 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1i6u h LEU 38 CO 0.11 0.59 0.29 0.50 0.09 0.00 0.00 178.44 180.01 1i6u h LYS 39 N 0.53 0.90 -1.03 1.13 1.63 -1.10 0.39 116.57 119.02 1i6u h LYS 39 Ca 0.11 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1i6u h LYS 39 Cb 0.34 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1i6u h LYS 39 CO 0.01 0.71 0.00 0.28 -3.45 0.00 0.00 179.45 177.00 1i6u n VAL 40 N -4.34 0.25 0.00 2.00 0.31 -0.87 -1.19 118.33 114.49 1i6u n VAL 40 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1i6u n VAL 40 Cb 0.14 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 1i6u n VAL 40 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1i6u n GLN 42 N 0.53 0.00 0.00 5.55 7.27 0.13 -2.12 117.38 128.74 1i6u n GLN 42 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1i6u n GLN 42 Cb 0.18 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.83 1i6u n GLN 42 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1i6u n ASP 43 N 0.00 0.00 -0.68 1.69 8.00 -0.34 0.51 116.55 125.73 1i6u n ASP 43 Ca 0.00 0.33 0.07 0.00 0.71 0.00 0.00 54.79 55.90 1i6u n ASP 43 Cb 0.00 -0.33 0.19 0.00 -0.02 0.00 0.00 41.12 40.96 1i6u n ASP 43 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1i6u n ASN 44 N -1.33 3.28 -1.38 -2.24 3.02 -0.90 -4.99 115.26 110.73 1i6u n ASN 44 Ca 0.00 -2.54 -0.16 0.00 -0.03 0.00 0.00 54.58 51.85 1i6u n ASN 44 Cb 0.16 -0.38 -0.06 0.00 -0.61 0.00 0.00 39.78 38.90 1i6u n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i6u n GLY 45 N -0.15 1.22 0.05 7.41 0.00 0.18 -4.90 105.19 109.01 1i6u n GLY 45 Ca 0.16 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.05 1i6u n GLY 45 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1i6u n TYR 46 N -2.84 0.40 -3.75 1.61 4.01 -1.26 -4.85 117.16 110.48 1i6u n TYR 46 Ca -0.17 0.12 -0.10 0.00 -0.16 0.00 0.00 57.90 57.58 1i6u n TYR 46 Cb 0.56 -0.54 -0.06 0.00 -0.31 0.00 0.00 39.34 38.98 1i6u n TYR 46 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1i6u s ILE 47 N -3.20 0.10 0.00 -0.72 -4.36 -1.26 -4.31 121.20 107.45 1i6u s ILE 47 Ca 0.04 -0.81 0.00 0.00 -0.26 0.00 0.00 60.65 59.62 1i6u s ILE 47 Cb 0.14 -1.15 0.00 0.00 1.25 0.00 0.00 42.46 42.70 1i6u s ILE 47 CO 0.77 -0.45 0.00 0.61 0.24 0.00 0.00 174.94 176.11 1i6u n GLY 48 N 0.10 1.18 3.78 6.27 0.00 0.27 -4.53 105.19 112.25 1i6u n GLY 48 Ca -0.17 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 1i6u n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i6u s GLU 49 N 1.80 2.37 -0.07 1.61 0.41 -1.26 -4.70 118.70 118.85 1i6u s GLU 49 Ca 0.00 1.09 -0.23 0.00 -0.41 0.00 0.00 54.97 55.42 1i6u s GLU 49 Cb 0.00 -1.92 0.05 0.00 -1.78 0.00 0.00 34.13 30.48 1i6u s GLU 49 CO 0.00 -1.54 0.52 -0.59 -0.49 0.00 0.00 175.26 173.16 1i6u s PHE 50 N -2.95 -0.48 0.00 1.61 -0.12 -1.26 0.08 117.98 114.87 1i6u s PHE 50 Ca 0.60 0.90 -0.05 0.00 -0.05 0.00 0.00 56.93 58.33 1i6u s PHE 50 Cb -0.16 0.25 -0.00 0.00 -0.63 0.00 0.00 43.02 42.48 1i6u s PHE 50 CO 0.56 -0.46 0.09 -1.83 -0.05 0.00 0.00 175.22 173.53 1i6u s GLU 51 N -0.91 0.40 -0.03 1.99 -1.05 -0.23 -4.95 118.70 113.91 1i6u s GLU 51 Ca -0.09 -0.38 -0.29 0.00 -0.15 0.00 0.00 54.97 54.06 1i6u s GLU 51 Cb -0.03 0.16 -0.03 0.00 -0.44 0.00 0.00 34.13 33.80 1i6u s GLU 51 CO 0.06 -0.09 0.95 0.12 0.95 0.00 0.00 175.26 177.25 1i6u s PHE 52 N -1.21 3.62 -0.27 4.83 5.36 -1.26 -1.36 117.98 127.69 1i6u s PHE 52 Ca -0.13 1.62 0.00 0.00 -0.96 0.00 0.00 56.93 57.46 1i6u s PHE 52 Cb -0.07 -3.09 0.05 0.00 -0.34 0.00 0.00 43.02 39.56 1i6u s PHE 52 CO 0.01 -0.04 -0.06 0.42 -1.46 0.00 0.00 175.22 174.08 1i6u s ILE 53 N 1.20 2.64 0.14 3.12 1.01 0.15 -4.95 121.20 124.51 1i6u s ILE 53 Ca 0.49 -1.38 -0.31 0.00 0.00 0.00 0.00 60.65 59.45 1i6u s ILE 53 Cb -0.20 -2.47 -0.09 0.00 0.01 0.00 0.00 42.46 39.70 1i6u s ILE 53 CO 0.25 0.01 1.51 -0.70 0.00 0.00 0.00 174.94 176.01 1i6u s GLU 54 N 1.22 4.25 0.00 2.79 2.56 -1.26 -1.38 118.70 126.88 1i6u s GLU 54 Ca -0.05 2.26 0.00 0.00 0.00 0.00 0.00 54.97 57.18 1i6u s GLU 54 Cb -0.19 -3.20 0.00 0.00 2.00 0.00 0.00 34.13 32.74 1i6u s GLU 54 CO -0.04 -0.55 0.63 -0.40 -0.56 0.00 0.00 175.26 174.34 1i6u n ASP 55 N 4.02 0.59 0.00 -1.70 5.75 -1.26 -4.95 116.55 119.00 1i6u n ASP 55 Ca 0.13 -1.29 0.00 0.00 -0.01 0.00 0.00 54.79 53.62 1i6u n ASP 55 Cb 0.40 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1i6u n ASP 55 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i6u n GLY 56 N -0.14 2.58 0.00 6.12 0.00 -1.26 -4.93 105.19 107.56 1i6u n GLY 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1i6u n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i6u n ARG 57 N -2.00 0.00 0.00 1.61 1.74 -1.26 -4.94 116.66 111.81 1i6u n ARG 57 Ca 0.00 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.21 1i6u n ARG 57 Cb 0.00 0.00 0.39 0.00 -1.02 0.00 0.00 32.46 31.83 1i6u n ARG 57 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1i6u n ALA 58 N -3.00 3.15 0.00 7.54 0.00 -1.26 -5.05 120.51 121.89 1i6u n ALA 58 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1i6u n ALA 58 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1i6u n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i6u n GLY 59 N 1.43 0.30 3.03 0.00 0.00 -1.26 -3.58 105.19 105.11 1i6u n GLY 59 Ca 0.09 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.02 1i6u n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i6u s ILE 60 N -1.35 0.05 -0.20 -0.61 1.01 -0.48 -3.69 121.20 115.94 1i6u s ILE 60 Ca 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 1i6u s ILE 60 Cb 0.00 -0.29 -0.01 0.00 0.01 0.00 0.00 42.46 42.17 1i6u s ILE 60 CO 0.00 -0.23 -0.05 -0.36 0.00 0.00 0.00 174.94 174.30 1i6u s PHE 61 N -0.74 2.95 -0.36 3.97 0.08 -0.24 0.32 117.98 123.95 1i6u s PHE 61 Ca -0.08 -0.77 -0.15 0.00 0.12 0.00 0.00 56.93 56.05 1i6u s PHE 61 Cb -0.05 -2.04 -0.00 0.00 -0.57 0.00 0.00 43.02 40.36 1i6u s PHE 61 CO 0.01 -0.40 0.32 0.21 -0.10 0.00 0.00 175.22 175.25 1i6u s LYS 62 N 1.11 3.37 -0.18 0.44 2.20 -0.46 0.24 119.74 126.45 1i6u s LYS 62 Ca 0.01 -0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 54.95 1i6u s LYS 62 Cb -0.15 -3.86 -0.01 0.00 -1.51 0.00 0.00 37.83 32.30 1i6u s LYS 62 CO -0.01 -0.58 -0.08 0.08 -0.36 0.00 0.00 175.35 174.40 1i6u s VAL 63 N 1.87 3.23 -0.42 4.02 1.01 0.25 -1.07 120.40 129.29 1i6u s VAL 63 Ca 0.09 -0.57 -0.28 0.00 0.00 0.00 0.00 61.98 61.22 1i6u s VAL 63 Cb -0.17 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1i6u s VAL 63 CO 0.11 0.48 1.07 -0.70 0.00 0.00 0.00 175.10 176.06 1i6u s GLU 64 N 0.91 3.80 0.33 2.72 2.12 0.11 -1.66 118.70 127.04 1i6u s GLU 64 Ca -0.02 0.64 -0.17 0.00 0.36 0.00 0.00 54.97 55.79 1i6u s GLU 64 Cb -0.15 -3.85 -0.09 0.00 0.26 0.00 0.00 34.13 30.29 1i6u s GLU 64 CO 0.00 -1.19 0.78 -0.51 -0.54 0.00 0.00 175.26 173.80 1i6u s LEU 65 N 4.05 4.07 -0.01 2.70 1.43 -0.95 -0.56 118.68 129.40 1i6u s LEU 65 Ca 0.45 1.39 0.25 0.00 -1.03 0.00 0.00 54.13 55.18 1i6u s LEU 65 Cb -0.09 -4.12 0.42 0.00 0.03 0.00 0.00 46.19 42.43 1i6u s LEU 65 CO 0.25 -0.21 1.17 2.30 0.23 0.00 0.00 176.35 180.09 1i6u n ILE 66 N -0.29 0.12 -4.10 -0.59 -5.35 -1.26 -4.65 119.36 103.23 1i6u n ILE 66 Ca 0.04 -1.10 -0.31 0.00 -0.27 0.00 0.00 62.75 61.10 1i6u n ILE 66 Cb 0.53 0.93 -0.03 0.00 -1.74 0.00 0.00 39.64 39.33 1i6u n ILE 66 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1i6u n GLY 67 N 0.41 -0.32 0.00 3.28 0.00 -1.26 -4.84 105.19 102.46 1i6u n GLY 67 Ca 0.07 0.14 0.03 0.00 0.00 0.00 0.00 46.02 46.26 1i6u n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i6u n LYS 68 N -4.41 4.44 -3.79 1.61 4.76 -1.26 -5.00 118.16 114.51 1i6u n LYS 68 Ca -0.13 -0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 54.94 1i6u n LYS 68 Cb 0.59 -0.85 -0.06 0.00 -1.84 0.00 0.00 35.03 32.87 1i6u n LYS 68 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1i6u s ILE 69 N -1.71 5.43 -0.25 -0.18 1.01 -1.26 -4.92 121.20 119.31 1i6u s ILE 69 Ca 0.02 0.29 0.15 0.00 0.00 0.00 0.00 60.65 61.11 1i6u s ILE 69 Cb 0.05 -3.46 -0.20 0.00 0.01 0.00 0.00 42.46 38.86 1i6u s ILE 69 CO 0.30 0.57 0.42 0.59 0.00 0.00 0.00 174.94 176.81 1i6u n ASN 70 N 2.37 1.30 0.00 3.58 3.02 -1.25 -4.81 115.26 119.46 1i6u n ASN 70 Ca -0.18 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 1i6u n ASN 70 Cb 0.54 1.43 0.00 0.00 -0.61 0.00 0.00 39.78 41.14 1i6u n ASN 70 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1i6u n LYS 71 N -1.77 0.00 -3.51 3.52 4.81 -1.26 -5.03 118.16 114.93 1i6u n LYS 71 Ca -0.01 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 1i6u n LYS 71 Cb 0.32 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.33 1i6u n LYS 71 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1i6u s GLY 73 N -1.72 -0.12 0.26 0.00 0.00 -1.13 -4.66 107.32 99.95 1i6u s GLY 73 Ca -0.07 0.05 -0.14 0.00 0.00 0.00 0.00 44.72 44.55 1i6u s GLY 73 CO 0.02 2.00 0.66 0.00 0.00 0.00 0.00 173.10 175.78 1i6u s ALA 74 N -2.44 3.43 -0.24 3.20 0.00 -1.26 -2.05 121.76 122.40 1i6u s ALA 74 Ca 0.20 -0.04 -0.10 0.00 0.00 0.00 0.00 51.96 52.02 1i6u s ALA 74 Cb -0.00 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 1i6u s ALA 74 CO 0.02 0.39 0.14 0.42 0.00 0.00 0.00 175.76 176.73 1i6u s ILE 75 N -1.79 5.18 -0.04 0.00 1.01 -0.38 -4.89 121.20 120.29 1i6u s ILE 75 Ca 0.48 0.12 0.02 0.00 0.00 0.00 0.00 60.65 61.27 1i6u s ILE 75 Cb -0.12 -3.41 0.02 0.00 0.01 0.00 0.00 42.46 38.95 1i6u s ILE 75 CO 0.19 0.35 -0.07 -0.54 0.00 0.00 0.00 174.94 174.87 1i6u s LYS 76 N 1.11 1.02 1.11 2.79 1.02 -1.26 -3.83 119.74 121.70 1i6u s LYS 76 Ca 0.07 -0.21 -0.17 0.00 0.02 0.00 0.00 55.97 55.68 1i6u s LYS 76 Cb -0.14 -0.94 0.25 0.00 -0.52 0.00 0.00 37.83 36.47 1i6u s LYS 76 CO 0.05 -0.01 1.12 -2.14 -0.92 0.00 0.00 175.35 173.44 1i6u s PRO 77 N 0.67 -0.51 -1.24 -1.68 0.02 -1.26 -5.00 135.00 126.00 1i6u s PRO 77 Ca -0.10 0.11 -0.17 0.00 0.02 0.00 0.00 61.00 60.85 1i6u s PRO 77 Cb -0.13 -1.66 0.10 0.00 0.02 0.00 0.00 34.50 32.82 1i6u s PRO 77 CO 0.01 -3.27 1.62 1.03 -0.33 0.00 0.00 177.00 176.05 1i6u s ARG 78 N -5.28 3.98 0.29 5.54 0.52 -1.25 -4.93 118.95 117.82 1i6u s ARG 78 Ca 0.69 -2.09 -0.29 0.00 -0.52 0.00 0.00 55.73 53.51 1i6u s ARG 78 Cb -0.13 -5.37 -0.13 0.00 0.52 0.00 0.00 34.95 29.84 1i6u s ARG 78 CO 0.56 -2.10 1.27 1.19 0.02 0.00 0.00 175.30 176.23 1i6u n PHE 79 N 7.61 2.00 -2.88 -0.53 3.72 -1.26 -4.34 117.46 121.78 1i6u n PHE 79 Ca 0.44 0.55 -0.37 0.00 -0.05 0.00 0.00 57.45 58.02 1i6u n PHE 79 Cb 0.46 -2.39 -0.06 0.00 -0.94 0.00 0.00 39.48 36.54 1i6u n PHE 79 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1i6u s PRO 80 N -1.29 4.47 -0.01 -1.08 0.04 -1.26 -0.38 135.00 135.49 1i6u s PRO 80 Ca 0.61 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.83 1i6u s PRO 80 Cb -0.63 -2.80 0.01 0.00 0.04 0.00 0.00 34.50 31.11 1i6u s PRO 80 CO 0.57 0.30 -0.01 0.08 0.04 0.00 0.00 177.00 177.99 1i6u s VAL 81 N -1.61 0.13 0.73 -0.36 1.01 0.29 -4.92 120.40 115.67 1i6u s VAL 81 Ca 0.48 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.37 1i6u s VAL 81 Cb -0.18 -0.16 0.06 0.00 0.00 0.00 0.00 36.38 36.11 1i6u s VAL 81 CO 0.22 0.07 1.05 -0.54 0.00 0.00 0.00 175.10 175.90 1i6u s LYS 82 N 0.28 2.17 0.67 2.72 1.02 -1.26 0.64 119.74 125.97 1i6u s LYS 82 Ca -0.02 -0.16 0.33 0.00 0.02 0.00 0.00 55.97 56.14 1i6u s LYS 82 Cb -0.05 -2.12 1.82 0.00 -0.52 0.00 0.00 37.83 36.96 1i6u s LYS 82 CO -0.01 -1.31 2.03 1.57 -0.92 0.00 0.00 175.35 176.72 1i6u h LYS 83 N -0.69 0.00 0.00 1.68 2.10 -1.88 -1.68 116.57 116.10 1i6u h LYS 83 Ca -0.45 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.18 1i6u h LYS 83 Cb 1.32 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.60 1i6u h LYS 83 CO 0.62 0.00 -0.35 1.19 -2.00 0.00 0.00 179.45 178.91 1i6u n PHE 84 N -2.95 0.00 -1.00 0.07 3.72 -1.26 -4.77 117.46 111.26 1i6u n PHE 84 Ca -0.02 -0.80 0.08 0.00 -0.05 0.00 0.00 57.45 56.66 1i6u n PHE 84 Cb 0.31 -0.15 0.28 0.00 -0.94 0.00 0.00 39.48 38.98 1i6u n PHE 84 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1i6u n GLY 85 N -0.79 3.93 0.15 1.37 0.00 -0.63 -4.67 105.19 104.55 1i6u n GLY 85 Ca 0.12 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 1i6u n GLY 85 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1i6u h TYR 86 N 2.07 0.83 -0.81 1.61 0.05 -1.86 -3.35 116.97 115.50 1i6u h TYR 86 Ca 0.01 -0.53 0.18 0.00 0.05 0.00 0.00 58.73 58.45 1i6u h TYR 86 Cb 1.54 -0.06 -0.15 0.00 1.01 0.00 0.00 36.73 39.07 1i6u h TYR 86 CO 0.61 1.38 -0.08 1.49 -1.05 0.00 0.00 178.16 180.51 1i6u h GLU 87 N 0.05 0.04 -0.97 4.88 4.81 -1.98 0.67 114.58 122.08 1i6u h GLU 87 Ca -0.16 -0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.21 1i6u h GLU 87 Cb 1.75 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 31.03 1i6u h GLU 87 CO 0.20 0.03 0.61 -0.22 -0.73 0.00 0.00 179.01 178.90 1i6u h LYS 88 N 0.04 0.82 0.08 1.92 3.64 -1.93 -1.25 116.57 119.90 1i6u h LYS 88 Ca 0.43 -0.05 -0.25 0.00 -1.27 0.00 0.00 60.65 59.51 1i6u h LYS 88 Cb 0.74 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1i6u h LYS 88 CO -0.78 0.54 -1.17 0.74 -2.27 0.00 0.00 179.45 176.52 1i6u h PHE 89 N 0.84 0.31 -0.79 1.91 0.04 0.00 -3.00 116.94 116.26 1i6u h PHE 89 Ca 0.50 -0.23 -0.01 0.00 2.80 0.00 0.00 57.97 61.03 1i6u h PHE 89 Cb 0.67 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.76 1i6u h PHE 89 CO -0.00 1.18 0.44 0.93 -0.60 0.00 0.00 178.31 180.26 1i6u h GLU 90 N 0.05 1.10 -0.05 1.51 5.08 0.47 -0.52 114.58 122.21 1i6u h GLU 90 Ca -0.09 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 1i6u h GLU 90 Cb 1.90 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.92 1i6u h GLU 90 CO 0.18 0.80 -0.49 0.87 -1.00 0.00 0.00 179.01 179.37 1i6u h LYS 91 N 1.10 0.13 0.01 2.33 1.57 -1.32 -1.15 116.57 119.24 1i6u h LYS 91 Ca 0.28 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.79 1i6u h LYS 91 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1i6u h LYS 91 CO -0.05 0.59 -0.92 -0.09 -0.57 0.00 0.00 179.45 178.41 1i6u h ARG 92 N 0.10 0.05 0.00 3.15 2.43 -1.16 -3.39 114.38 115.57 1i6u h ARG 92 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1i6u h ARG 92 Cb 0.90 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1i6u h ARG 92 CO 0.07 0.94 -0.41 0.66 -1.51 0.00 0.00 179.97 179.71 1i6u n TYR 93 N -3.50 0.00 -3.71 2.20 4.01 -0.30 -4.81 117.16 111.04 1i6u n TYR 93 Ca -0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.38 1i6u n TYR 93 Cb 0.86 -0.02 -0.08 0.00 -0.31 0.00 0.00 39.34 39.79 1i6u n TYR 93 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1i6u s LEU 94 N -2.43 5.34 0.61 7.72 1.43 -0.44 -4.91 118.68 125.99 1i6u s LEU 94 Ca 0.01 -3.68 0.27 0.00 -1.03 0.00 0.00 54.13 49.69 1i6u s LEU 94 Cb 0.02 -1.84 1.25 0.00 0.03 0.00 0.00 46.19 45.65 1i6u s LEU 94 CO 0.13 -0.17 1.67 -0.65 0.23 0.00 0.00 176.35 177.56 1i6u h PRO 95 N 5.95 0.00 -4.62 1.29 0.11 -1.82 -3.36 132.00 129.55 1i6u h PRO 95 Ca 0.14 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 65.55 1i6u h PRO 95 Cb 0.81 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 31.68 1i6u h PRO 95 CO 0.81 0.00 -0.52 0.00 -0.21 0.00 0.00 178.00 178.08 1i6u s ALA 96 N -4.46 3.27 0.29 -0.75 0.00 -1.26 -5.06 121.76 113.79 1i6u s ALA 96 Ca -0.03 -1.67 -0.30 0.00 0.00 0.00 0.00 51.96 49.96 1i6u s ALA 96 Cb 0.13 -2.55 -0.11 0.00 0.00 0.00 0.00 23.12 20.59 1i6u s ALA 96 CO 0.45 -1.31 1.53 1.03 0.00 0.00 0.00 175.76 177.46 1i6u s ARG 97 N 1.56 4.17 0.00 0.00 1.81 -1.26 -2.11 118.95 123.12 1i6u s ARG 97 Ca 0.02 2.48 0.00 0.00 -1.72 0.00 0.00 55.73 56.52 1i6u s ARG 97 Cb -0.19 -3.04 0.00 0.00 -0.45 0.00 0.00 34.95 31.27 1i6u s ARG 97 CO 0.06 -0.54 0.00 -0.25 -0.68 0.00 0.00 175.30 173.89 1i6u n ASP 98 N 1.95 0.00 -4.12 0.23 9.92 -1.26 -5.04 116.55 118.24 1i6u n ASP 98 Ca 0.07 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.10 1i6u n ASP 98 Cb 0.39 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.72 1i6u n ASP 98 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1i6u s PHE 99 N -2.83 1.29 0.00 1.24 0.08 -0.89 -5.11 117.98 111.76 1i6u s PHE 99 Ca 0.00 -0.25 0.00 0.00 0.12 0.00 0.00 56.93 56.80 1i6u s PHE 99 Cb 0.00 -0.83 0.00 0.00 -0.57 0.00 0.00 43.02 41.62 1i6u s PHE 99 CO 0.00 -0.02 0.00 0.41 -0.10 0.00 0.00 175.22 175.51 1i6u n GLY 100 N 2.69 0.96 3.08 4.36 0.00 -1.26 -4.70 105.19 110.33 1i6u n GLY 100 Ca -0.14 -1.94 -0.07 0.00 0.00 0.00 0.00 46.02 43.87 1i6u n GLY 100 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1i6u s ILE 101 N -2.03 0.21 -0.10 -0.61 -4.36 -0.01 -4.98 121.20 109.32 1i6u s ILE 101 Ca 0.00 -1.71 -0.03 0.00 -0.26 0.00 0.00 60.65 58.65 1i6u s ILE 101 Cb 0.00 -1.40 -0.03 0.00 1.25 0.00 0.00 42.46 42.28 1i6u s ILE 101 CO 0.00 -0.94 0.01 -0.76 0.24 0.00 0.00 174.94 173.48 1i6u s LEU 102 N -2.78 3.61 -0.28 0.37 1.43 -1.26 -1.70 118.68 118.06 1i6u s LEU 102 Ca 0.05 0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 53.19 1i6u s LEU 102 Cb 0.06 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 1i6u s LEU 102 CO -0.09 0.34 0.12 -0.63 0.23 0.00 0.00 176.35 176.32 1i6u s ILE 103 N -0.67 4.46 0.14 -0.59 1.01 0.40 -0.24 121.20 125.71 1i6u s ILE 103 Ca 0.11 -0.32 0.09 0.00 0.00 0.00 0.00 60.65 60.53 1i6u s ILE 103 Cb -0.12 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 1i6u s ILE 103 CO 0.02 0.18 -0.18 0.54 0.00 0.00 0.00 174.94 175.51 1i6u s VAL 104 N 1.61 2.82 -0.31 2.92 0.11 -1.26 -1.16 120.40 125.12 1i6u s VAL 104 Ca 0.05 -1.62 -0.11 0.00 -2.93 0.00 0.00 61.98 57.37 1i6u s VAL 104 Cb -0.16 -2.32 -0.02 0.00 -1.53 0.00 0.00 36.38 32.35 1i6u s VAL 104 CO 0.05 0.03 0.18 -0.55 -3.33 0.00 0.00 175.10 171.48 1i6u s SER 105 N -2.35 5.74 0.44 3.54 0.15 0.16 -4.41 113.70 116.96 1i6u s SER 105 Ca 0.20 -0.40 0.07 0.00 0.70 0.00 0.00 55.95 56.51 1i6u s SER 105 Cb -0.10 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 1i6u s SER 105 CO 0.11 -0.18 0.19 0.42 1.20 0.00 0.00 173.24 174.98 1i6u s THR 106 N 1.67 2.12 -0.16 6.45 -4.23 0.10 -0.77 115.64 120.82 1i6u s THR 106 Ca 0.05 -1.70 0.26 0.00 -1.18 0.00 0.00 61.69 59.12 1i6u s THR 106 Cb -0.17 -2.82 0.27 0.00 1.34 0.00 0.00 72.50 71.12 1i6u s THR 106 CO 0.08 0.00 1.80 0.00 -0.54 0.00 0.00 174.62 175.96 1i6u h THR 107 N 1.34 0.00 -0.51 3.99 1.03 -1.98 0.69 112.91 117.47 1i6u h THR 107 Ca -0.42 -0.12 0.00 0.00 -0.01 0.00 0.00 66.41 65.85 1i6u h THR 107 Cb 1.26 0.80 0.00 0.00 -1.07 0.00 0.00 68.15 69.14 1i6u h THR 107 CO 0.69 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 176.20 1i6u n GLN 108 N -2.43 3.28 0.00 0.00 1.13 -1.26 -5.06 117.38 113.04 1i6u n GLN 108 Ca -0.00 -2.64 0.00 0.00 -1.94 0.00 0.00 57.00 52.42 1i6u n GLN 108 Cb 0.13 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 28.79 1i6u n GLN 108 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1i6u n GLY 109 N 0.74 1.07 3.80 1.08 0.00 0.23 -5.21 105.19 106.91 1i6u n GLY 109 Ca 0.21 -2.19 -0.37 0.00 0.00 0.00 0.00 46.02 43.67 1i6u n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i6u s VAL 110 N -1.29 4.47 0.45 1.61 1.01 -1.26 -0.72 120.40 124.67 1i6u s VAL 110 Ca 0.00 1.44 -0.10 0.00 0.00 0.00 0.00 61.98 63.32 1i6u s VAL 110 Cb 0.00 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 1i6u s VAL 110 CO 0.00 0.22 0.81 -0.94 0.00 0.00 0.00 175.10 175.19 1i6u s SER 112 N -1.60 6.44 0.44 3.32 1.04 -1.26 -4.95 113.70 117.13 1i6u s SER 112 Ca 0.44 1.13 0.15 0.00 0.48 0.00 0.00 55.95 58.15 1i6u s SER 112 Cb -0.18 -2.33 0.98 0.00 0.10 0.00 0.00 66.02 64.60 1i6u s SER 112 CO 0.22 -0.49 1.97 1.12 0.98 0.00 0.00 173.24 177.04 1i6u h HIS 113 N 0.85 0.00 -0.30 5.02 -0.00 -0.97 -1.80 115.15 117.94 1i6u h HIS 113 Ca -0.47 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 59.84 1i6u h HIS 113 Cb 1.19 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.59 1i6u h HIS 113 CO 0.61 0.21 -0.06 0.93 -0.00 0.00 0.00 177.93 179.61 1i6u h GLU 114 N 0.00 0.49 0.00 5.12 4.39 -1.98 0.27 114.58 122.87 1i6u h GLU 114 Ca -0.00 -0.12 -0.19 0.00 0.34 0.00 0.00 59.36 59.39 1i6u h GLU 114 Cb 0.38 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 1i6u h GLU 114 CO 0.03 0.57 -0.92 1.49 -1.16 0.00 0.00 179.01 179.01 1i6u h GLU 115 N 0.46 0.00 -0.43 2.33 4.81 -1.80 -1.93 114.58 118.02 1i6u h GLU 115 Ca 0.09 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1i6u h GLU 115 Cb 0.40 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1i6u h GLU 115 CO 0.02 0.89 -0.01 0.00 -0.73 0.00 0.00 179.01 179.19 1i6u h ALA 116 N 1.10 0.58 0.04 2.92 0.00 -0.78 -2.12 119.26 121.01 1i6u h ALA 116 Ca -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1i6u h ALA 116 Cb 1.70 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1i6u h ALA 116 CO 0.12 0.38 -0.02 0.87 0.00 0.00 0.00 179.25 180.59 1i6u h LYS 117 N 0.61 -0.06 -0.14 0.00 1.57 -0.97 0.42 116.57 118.00 1i6u h LYS 117 Ca 0.12 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1i6u h LYS 117 Cb 0.50 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1i6u h LYS 117 CO 0.02 0.21 0.50 -0.22 -0.57 0.00 0.00 179.45 179.39 1i6u h LYS 118 N -0.32 0.00 -0.12 3.15 1.63 -1.22 0.24 116.57 119.93 1i6u h LYS 118 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1i6u h LYS 118 Cb 0.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1i6u h LYS 118 CO 0.01 0.00 0.00 0.54 -3.45 0.00 0.00 179.45 176.55 1i6u n ARG 119 N -3.02 1.37 -3.06 1.90 1.74 -0.81 -5.00 116.66 109.78 1i6u n ARG 119 Ca 0.02 -1.39 -0.20 0.00 -0.77 0.00 0.00 57.85 55.51 1i6u n ARG 119 Cb 0.58 -1.17 0.04 0.00 -1.02 0.00 0.00 32.46 30.89 1i6u n ARG 119 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i6u n GLY 120 N 0.34 -0.35 3.59 -0.13 0.00 0.83 -5.01 105.19 104.47 1i6u n GLY 120 Ca 0.06 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1i6u n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i6u s LEU 121 N -6.01 3.18 0.58 0.99 1.43 -0.01 -4.82 118.68 114.01 1i6u s LEU 121 Ca 0.33 -0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.40 1i6u s LEU 121 Cb -0.15 -1.79 0.08 0.00 0.03 0.00 0.00 46.19 44.36 1i6u s LEU 121 CO 0.41 0.30 0.67 -0.83 0.23 0.00 0.00 176.35 177.13 1i6u s GLY 122 N -1.28 1.95 0.00 -3.19 0.00 -1.26 -4.25 107.32 99.29 1i6u s GLY 122 Ca 0.16 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.05 1i6u s GLY 122 CO 0.06 -1.80 0.00 0.61 0.00 0.00 0.00 173.10 171.97 1i6u n GLY 123 N -2.12 -0.56 3.49 0.20 0.00 0.21 -4.60 105.19 101.81 1i6u n GLY 123 Ca 0.10 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 1i6u n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i6u s ARG 124 N -0.44 3.66 0.08 1.61 1.81 0.05 0.10 118.95 125.82 1i6u s ARG 124 Ca 0.00 -0.52 -0.30 0.00 -1.72 0.00 0.00 55.73 53.18 1i6u s ARG 124 Cb 0.00 -2.92 -0.06 0.00 -0.45 0.00 0.00 34.95 31.52 1i6u s ARG 124 CO 0.00 0.22 1.15 -0.51 -0.68 0.00 0.00 175.30 175.48 1i6u s LEU 125 N 0.42 4.39 0.00 2.53 1.43 0.49 0.36 118.68 128.29 1i6u s LEU 125 Ca -0.04 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.04 1i6u s LEU 125 Cb -0.14 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1i6u s LEU 125 CO 0.03 -0.39 0.00 0.18 0.23 0.00 0.00 176.35 176.40 1i6u n LEU 126 N 3.60 0.32 -3.82 1.79 4.77 -0.31 -4.04 117.00 119.30 1i6u n LEU 126 Ca 0.07 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.99 1i6u n LEU 126 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1i6u n LEU 126 CO 0.55 0.05 0.60 0.00 -1.33 0.00 0.00 177.39 177.26 1i6u s ALA 127 N -1.95 -1.23 0.08 -1.18 0.00 -1.03 -1.25 121.76 115.20 1i6u s ALA 127 Ca 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1i6u s ALA 127 Cb 0.00 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 1i6u s ALA 127 CO 0.00 -1.03 -0.07 1.52 0.00 0.00 0.00 175.76 176.18 1i6u s TYR 128 N -2.97 0.81 -0.22 0.00 -0.85 -0.87 -0.46 117.35 112.79 1i6u s TYR 128 Ca 0.15 -0.74 -0.10 0.00 -0.52 0.00 0.00 57.07 55.85 1i6u s TYR 128 Cb -0.04 -0.48 0.08 0.00 0.38 0.00 0.00 41.96 41.91 1i6u s TYR 128 CO 0.07 -0.12 0.51 0.08 -1.52 0.00 0.00 175.55 174.57 1i6u s VAL 129 N -2.71 -0.36 0.00 -3.49 1.01 -0.69 -2.82 120.40 111.34 1i6u s VAL 129 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1i6u s VAL 129 Cb -0.01 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1i6u s VAL 129 CO -0.03 0.03 0.00 0.00 0.00 0.00 0.00 175.10 175.11