#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6u s ASP 5 N 0.00 3.22 0.32 3.17 2.15 -1.26 -5.03 116.67 119.24 1i6u s ASP 5 Ca 0.00 -1.11 0.04 0.00 0.43 0.00 0.00 52.55 51.91 1i6u s ASP 5 Cb 0.00 -0.41 0.64 0.00 -0.30 0.00 0.00 42.92 42.85 1i6u s ASP 5 CO 0.00 -0.40 1.89 1.55 -0.17 0.00 0.00 175.17 178.04 1i6u h PRO 6 N 8.36 0.87 0.43 4.34 0.13 -1.99 -2.29 132.00 141.84 1i6u h PRO 6 Ca -0.17 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.88 1i6u h PRO 6 Cb 1.06 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1i6u h PRO 6 CO 0.39 0.57 -0.21 1.25 -0.23 0.00 0.00 178.00 179.78 1i6u h LEU 7 N 0.89 -0.49 -0.99 1.56 5.85 -1.96 0.38 115.31 120.56 1i6u h LEU 7 Ca 0.42 -0.08 0.16 0.00 0.84 0.00 0.00 57.88 59.23 1i6u h LEU 7 Cb 0.42 0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.48 1i6u h LEU 7 CO -0.19 -0.21 0.60 0.00 -0.34 0.00 0.00 178.44 178.31 1i6u h ALA 8 N -0.30 1.57 0.01 1.25 0.00 -1.92 0.26 119.26 120.11 1i6u h ALA 8 Ca -0.06 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i6u h ALA 8 Cb 0.54 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1i6u h ALA 8 CO 0.10 0.04 -0.00 -0.97 0.00 0.00 0.00 179.25 178.42 1i6u h ASN 9 N 0.83 -0.01 -0.49 0.00 -1.24 -1.27 -0.79 115.58 112.62 1i6u h ASN 9 Ca 0.54 -0.17 0.06 0.00 0.71 0.00 0.00 56.30 57.43 1i6u h ASN 9 Cb 0.72 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.72 1i6u h ASN 9 CO -0.34 0.17 0.19 0.00 -1.29 0.00 0.00 177.43 176.16 1i6u h ALA 10 N 0.80 0.61 -0.44 1.57 0.00 0.60 -0.26 119.26 122.14 1i6u h ALA 10 Ca -0.00 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1i6u h ALA 10 Cb 0.18 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1i6u h ALA 10 CO 0.00 -0.19 -0.20 -0.07 0.00 0.00 0.00 179.25 178.79 1i6u h LEU 11 N 0.38 0.93 -0.88 0.00 3.38 -0.90 -1.90 115.31 116.31 1i6u h LEU 11 Ca 0.23 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1i6u h LEU 11 Cb 0.22 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1i6u h LEU 11 CO -0.22 1.13 0.17 0.78 0.09 0.00 0.00 178.44 180.39 1i6u h ASN 12 N 0.74 0.93 -0.35 -0.43 -0.26 -0.76 0.02 115.58 115.48 1i6u h ASN 12 Ca 0.10 -0.18 -0.05 0.00 -0.56 0.00 0.00 56.30 55.62 1i6u h ASN 12 Cb 0.77 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.77 1i6u h ASN 12 CO 0.06 0.89 0.04 -0.74 -1.06 0.00 0.00 177.43 176.62 1i6u h HIS 13 N 0.96 0.63 -0.62 1.19 2.76 -0.97 -0.61 115.15 118.48 1i6u h HIS 13 Ca 0.21 -0.09 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1i6u h HIS 13 Cb 0.32 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.08 1i6u h HIS 13 CO 0.02 0.66 0.28 0.82 -1.30 0.00 0.00 177.93 178.41 1i6u h ILE 14 N 0.41 1.22 -0.01 6.26 2.04 -1.02 -0.53 117.51 125.87 1i6u h ILE 14 Ca 0.10 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1i6u h ILE 14 Cb 0.38 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1i6u h ILE 14 CO 0.01 0.26 0.01 -1.28 0.00 0.00 0.00 178.15 177.15 1i6u h SER 15 N 0.85 0.01 0.32 1.72 0.87 -0.73 -2.17 113.55 114.43 1i6u h SER 15 Ca 0.21 -0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.61 1i6u h SER 15 Cb 0.15 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1i6u h SER 15 CO -0.02 0.05 -0.50 0.78 -0.53 0.00 0.00 176.83 176.60 1i6u h ASN 16 N -0.03 0.23 1.07 6.23 2.35 -1.00 -2.45 115.58 121.97 1i6u h ASN 16 Ca 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1i6u h ASN 16 Cb 0.04 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1i6u h ASN 16 CO -0.00 0.69 0.00 0.00 -1.65 0.00 0.00 177.43 176.47 1i6u h GLU 18 N 0.00 0.31 -0.99 0.00 4.57 -1.02 -0.89 114.58 116.56 1i6u h GLU 18 Ca 0.00 -0.52 0.09 0.00 -1.18 0.00 0.00 59.36 57.74 1i6u h GLU 18 Cb 0.53 0.19 -0.07 0.00 -0.16 0.00 0.00 28.75 29.25 1i6u h GLU 18 CO 0.00 1.25 0.63 0.00 -1.18 0.00 0.00 179.01 179.71 1i6u h ARG 19 N -0.25 1.04 0.00 1.92 3.08 -1.26 -1.75 114.38 117.16 1i6u h ARG 19 Ca -0.25 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.62 1i6u h ARG 19 Cb 1.79 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 31.59 1i6u h ARG 19 CO 0.12 0.69 -0.57 0.28 -1.07 0.00 0.00 179.97 179.42 1i6u h VAL 20 N 1.07 1.09 0.00 2.04 2.07 -1.60 -3.48 116.25 117.44 1i6u h VAL 20 Ca 0.45 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1i6u h VAL 20 Cb 0.31 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1i6u h VAL 20 CO -0.20 0.56 0.00 0.61 0.02 0.00 0.00 177.57 178.56 1i6u n GLY 21 N 0.86 0.91 3.69 2.17 0.00 -0.66 -5.08 105.19 107.09 1i6u n GLY 21 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1i6u n GLY 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i6u n LYS 22 N -1.10 2.13 0.00 1.61 5.02 -0.36 -4.88 118.16 120.58 1i6u n LYS 22 Ca 0.00 0.75 0.13 0.00 -2.02 0.00 0.00 58.31 57.17 1i6u n LYS 22 Cb 0.00 -2.35 0.30 0.00 -0.02 0.00 0.00 35.03 32.95 1i6u n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1i6u n LYS 23 N 0.91 1.03 -3.72 1.97 5.02 -1.26 -4.66 118.16 117.45 1i6u n LYS 23 Ca 0.06 -0.69 -0.14 0.00 -2.02 0.00 0.00 58.31 55.53 1i6u n LYS 23 Cb 0.35 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.80 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 -2.44 0.05 -0.05 -0.18 1.01 -1.26 -1.66 120.40 115.87 1i6u s VAL 24 Ca 0.24 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 1i6u s VAL 24 Cb 0.19 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.86 1i6u s VAL 24 CO 0.51 -0.24 0.24 0.54 0.00 0.00 0.00 175.10 176.15 1i6u s VAL 25 N -1.55 0.04 -0.25 2.92 0.11 -0.26 -4.89 120.40 116.52 1i6u s VAL 25 Ca -0.12 -0.29 -0.05 0.00 -2.93 0.00 0.00 61.98 58.60 1i6u s VAL 25 Cb -0.04 -0.44 -0.00 0.00 -1.53 0.00 0.00 36.38 34.37 1i6u s VAL 25 CO 0.04 -0.16 -0.00 -0.31 -3.33 0.00 0.00 175.10 171.34 1i6u s TYR 26 N -0.61 3.04 -0.35 1.54 1.51 -1.26 -0.76 117.35 120.47 1i6u s TYR 26 Ca -0.07 -0.99 -0.16 0.00 -1.01 0.00 0.00 57.07 54.84 1i6u s TYR 26 Cb -0.04 -2.15 -0.01 0.00 -0.11 0.00 0.00 41.96 39.65 1i6u s TYR 26 CO 0.02 -0.56 0.38 0.42 -1.11 0.00 0.00 175.55 174.69 1i6u s ILE 27 N 1.47 5.15 0.00 2.71 -1.09 0.83 -4.94 121.20 125.34 1i6u s ILE 27 Ca 0.04 0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 1i6u s ILE 27 Cb -0.15 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 1i6u s ILE 27 CO -0.01 -0.13 0.26 0.29 -1.23 0.00 0.00 174.94 174.12 1i6u n LYS 28 N 5.43 0.00 -1.47 2.79 5.02 -1.26 -0.15 118.16 128.52 1i6u n LYS 28 Ca -0.09 0.14 -0.49 0.00 -2.02 0.00 0.00 58.31 55.85 1i6u n LYS 28 Cb 0.49 -0.85 -0.07 0.00 -0.02 0.00 0.00 35.03 34.59 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 -0.92 1.18 -3.35 1.97 -0.02 -1.26 -3.93 135.00 128.67 1i6u n PRO 29 Ca 0.00 0.32 -0.34 0.00 -2.02 0.00 0.00 63.50 61.46 1i6u n PRO 29 Cb 0.00 -2.57 -0.05 0.00 -0.02 0.00 0.00 33.50 30.86 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 10.20 4.36 -1.50 3.55 0.00 -1.14 -4.89 120.51 131.09 1i6u n ALA 30 Ca 0.40 -4.75 -0.29 0.00 0.00 0.00 0.00 53.44 48.80 1i6u n ALA 30 Cb 0.26 -1.51 0.18 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.80 2.69 0.13 0.00 1.04 -1.26 -4.75 113.70 109.74 1i6u s SER 31 Ca 0.34 0.72 -0.12 0.00 0.48 0.00 0.00 55.95 57.37 1i6u s SER 31 Cb 0.07 -1.08 -0.06 0.00 0.10 0.00 0.00 66.02 65.05 1i6u s SER 31 CO -0.00 -3.04 1.46 0.50 0.98 0.00 0.00 173.24 173.14 1i6u h LYS 32 N -1.84 0.89 0.05 4.02 1.63 -1.97 -2.50 116.57 116.86 1i6u h LYS 32 Ca -0.48 -0.48 0.02 0.00 -0.85 0.00 0.00 60.65 58.86 1i6u h LYS 32 Cb 1.30 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.92 1i6u h LYS 32 CO 0.49 1.12 -0.16 1.25 -3.45 0.00 0.00 179.45 178.70 1i6u h LEU 33 N 0.69 -0.45 -1.34 5.20 6.46 -1.99 0.23 115.31 124.12 1i6u h LEU 33 Ca 0.05 0.06 0.11 0.00 -0.12 0.00 0.00 57.88 57.98 1i6u h LEU 33 Cb 0.97 0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 41.02 1i6u h LEU 33 CO 0.09 -0.22 0.53 0.40 -0.62 0.00 0.00 178.44 178.62 1i6u h ILE 34 N -0.29 0.91 -0.37 4.05 2.04 -1.91 0.74 117.51 122.68 1i6u h ILE 34 Ca 0.04 -0.24 -0.13 0.00 1.00 0.00 0.00 64.86 65.53 1i6u h ILE 34 Cb 0.33 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1i6u h ILE 34 CO -0.12 0.13 -0.29 1.23 0.00 0.00 0.00 178.15 179.11 1i6u h GLY 35 N 0.71 0.85 2.00 5.37 0.00 -0.87 -0.97 103.07 110.16 1i6u h GLY 35 Ca 0.39 -0.77 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 1i6u h GLY 35 CO -0.16 0.70 -0.42 3.21 0.00 0.00 0.00 176.54 179.88 1i6u h ARG 36 N 0.67 0.00 0.15 4.80 3.08 0.11 -2.23 114.38 120.95 1i6u h ARG 36 Ca 0.08 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.85 1i6u h ARG 36 Cb 0.82 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.90 1i6u h ARG 36 CO 0.07 0.42 -1.18 0.28 -1.07 0.00 0.00 179.97 178.49 1i6u h VAL 37 N 0.00 1.33 -0.40 2.04 2.07 -0.84 -3.06 116.25 117.39 1i6u h VAL 37 Ca -0.00 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.02 1i6u h VAL 37 Cb 0.85 2.86 -0.02 0.00 -1.52 0.00 0.00 31.29 33.46 1i6u h VAL 37 CO 0.05 0.75 0.25 -0.07 0.02 0.00 0.00 177.57 178.57 1i6u h LEU 38 N 0.11 0.47 -0.12 2.57 3.38 -1.08 -2.28 115.31 118.36 1i6u h LEU 38 Ca -0.19 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1i6u h LEU 38 Cb 1.89 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 1i6u h LEU 38 CO 0.22 0.35 0.06 0.50 0.09 0.00 0.00 178.44 179.66 1i6u h LYS 39 N 0.55 0.17 -1.72 1.13 3.11 -1.39 0.18 116.57 118.60 1i6u h LYS 39 Ca 0.15 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.96 1i6u h LYS 39 Cb -0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.16 1i6u h LYS 39 CO -0.03 0.23 0.00 0.28 -2.81 0.00 0.00 179.45 177.12 1i6u n VAL 40 N -4.93 0.14 0.00 2.00 0.31 -0.86 -0.41 118.33 114.57 1i6u n VAL 40 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1i6u n VAL 40 Cb 0.09 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 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 0.89 0.00 0.30 5.55 7.27 0.63 -1.75 117.38 130.27 1i6u n GLN 42 Ca 0.00 0.00 0.16 0.00 0.07 0.00 0.00 57.00 57.23 1i6u n GLN 42 Cb 0.07 0.00 0.94 0.00 2.41 0.00 0.00 30.24 33.66 1i6u n GLN 42 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1i6u h ASP 43 N 0.00 0.00 -0.58 1.69 3.32 -0.97 -1.18 116.42 118.69 1i6u h ASP 43 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1i6u h ASP 43 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1i6u h ASP 43 CO 0.00 0.01 0.00 0.59 -1.72 0.00 0.00 179.24 178.12 1i6u n ASN 44 N -3.75 5.25 -1.00 6.45 3.02 -0.72 -4.96 115.26 119.55 1i6u n ASN 44 Ca -0.03 -2.75 -0.13 0.00 -0.03 0.00 0.00 54.58 51.65 1i6u n ASN 44 Cb 0.09 -0.63 -0.05 0.00 -0.61 0.00 0.00 39.78 38.58 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 0.75 1.23 0.09 7.41 0.00 -0.45 -4.92 105.19 109.30 1i6u n GLY 45 Ca 0.27 -0.43 0.06 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.75 0.75 -4.10 1.61 4.01 -1.26 -4.88 117.16 110.54 1i6u n TYR 46 Ca -0.13 0.23 -0.07 0.00 -0.16 0.00 0.00 57.90 57.77 1i6u n TYR 46 Cb 0.43 -0.93 -0.10 0.00 -0.31 0.00 0.00 39.34 38.43 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 -3.17 0.28 0.00 -0.72 -4.36 -1.26 -4.42 121.20 107.54 1i6u s ILE 47 Ca -0.03 -1.82 0.00 0.00 -0.26 0.00 0.00 60.65 58.54 1i6u s ILE 47 Cb 0.10 -1.53 0.00 0.00 1.25 0.00 0.00 42.46 42.28 1i6u s ILE 47 CO 0.82 -0.98 0.00 0.61 0.24 0.00 0.00 174.94 175.63 1i6u n GLY 48 N 0.11 0.99 3.78 6.27 0.00 0.20 -4.50 105.19 112.04 1i6u n GLY 48 Ca -0.14 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 1i6u n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i6u s GLU 49 N 0.39 3.24 -0.05 1.61 2.56 -1.26 -4.63 118.70 120.56 1i6u s GLU 49 Ca 0.00 1.45 -0.06 0.00 0.00 0.00 0.00 54.97 56.35 1i6u s GLU 49 Cb 0.00 -2.00 0.01 0.00 2.00 0.00 0.00 34.13 34.14 1i6u s GLU 49 CO 0.00 -0.91 0.16 -0.59 -0.56 0.00 0.00 175.26 173.37 1i6u s PHE 50 N -2.08 -0.15 0.06 5.30 -0.12 -1.26 -0.75 117.98 118.98 1i6u s PHE 50 Ca 0.69 0.35 0.02 0.00 -0.05 0.00 0.00 56.93 57.94 1i6u s PHE 50 Cb -0.21 0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.20 1i6u s PHE 50 CO 0.32 -0.12 -0.07 -1.83 -0.05 0.00 0.00 175.22 173.47 1i6u s GLU 51 N -0.17 0.59 -0.00 1.99 -1.05 -0.38 -4.95 118.70 114.73 1i6u s GLU 51 Ca -0.03 -0.92 -0.24 0.00 -0.15 0.00 0.00 54.97 53.63 1i6u s GLU 51 Cb -0.02 -0.21 -0.05 0.00 -0.44 0.00 0.00 34.13 33.41 1i6u s GLU 51 CO 0.00 0.01 0.71 0.12 0.95 0.00 0.00 175.26 177.06 1i6u s PHE 52 N -2.12 3.67 -0.18 4.83 2.19 -1.26 -0.57 117.98 124.53 1i6u s PHE 52 Ca -0.04 1.35 0.01 0.00 0.33 0.00 0.00 56.93 58.58 1i6u s PHE 52 Cb -0.05 -2.78 0.03 0.00 -1.31 0.00 0.00 43.02 38.92 1i6u s PHE 52 CO -0.02 0.22 -0.14 0.42 1.83 0.00 0.00 175.22 177.53 1i6u s ILE 53 N 0.22 1.80 0.22 3.12 1.01 0.17 -4.96 121.20 122.78 1i6u s ILE 53 Ca 0.37 -0.94 -0.31 0.00 0.00 0.00 0.00 60.65 59.77 1i6u s ILE 53 Cb -0.19 -1.75 -0.11 0.00 0.01 0.00 0.00 42.46 40.43 1i6u s ILE 53 CO 0.20 0.35 1.57 -0.70 0.00 0.00 0.00 174.94 176.36 1i6u s GLU 54 N 1.36 4.19 -0.02 2.79 2.56 -1.26 -1.19 118.70 127.13 1i6u s GLU 54 Ca 0.02 2.44 0.03 0.00 0.00 0.00 0.00 54.97 57.46 1i6u s GLU 54 Cb -0.15 -3.10 0.04 0.00 2.00 0.00 0.00 34.13 32.93 1i6u s GLU 54 CO -0.10 -0.59 1.02 -0.40 -0.56 0.00 0.00 175.26 174.63 1i6u n ASP 55 N 3.14 0.36 0.00 -1.70 5.75 -1.26 -4.91 116.55 117.93 1i6u n ASP 55 Ca 0.11 -2.16 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 1i6u n ASP 55 Cb 0.38 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 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 -0.22 2.18 0.00 6.12 0.00 -1.26 -4.83 105.19 107.18 1i6u n GLY 56 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.37 0.00 0.00 1.61 1.74 -1.26 -4.93 116.66 113.45 1i6u n ARG 57 Ca 0.00 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.23 1i6u n ARG 57 Cb 0.00 0.00 0.69 0.00 -1.02 0.00 0.00 32.46 32.13 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 2.68 0.00 7.54 0.00 -1.26 -5.04 120.51 121.43 1i6u n ALA 58 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1i6u n ALA 58 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 1.22 0.15 3.03 0.00 0.00 -1.26 -3.82 105.19 104.51 1i6u n GLY 59 Ca 0.17 -1.78 -0.16 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.32 0.62 -0.20 -0.61 1.01 -0.33 -2.90 121.20 116.46 1i6u s ILE 60 Ca 0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 1i6u s ILE 60 Cb 0.00 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.87 1i6u s ILE 60 CO 0.00 -0.02 0.02 -0.36 0.00 0.00 0.00 174.94 174.57 1i6u s PHE 61 N -0.60 3.07 -0.44 3.97 0.08 0.79 0.45 117.98 125.30 1i6u s PHE 61 Ca -0.01 -0.36 -0.15 0.00 0.12 0.00 0.00 56.93 56.52 1i6u s PHE 61 Cb -0.05 -2.10 0.05 0.00 -0.57 0.00 0.00 43.02 40.35 1i6u s PHE 61 CO 0.00 -0.19 0.35 0.21 -0.10 0.00 0.00 175.22 175.50 1i6u s LYS 62 N 0.95 2.97 -0.21 0.44 2.20 0.26 -0.12 119.74 126.23 1i6u s LYS 62 Ca 0.02 -1.21 -0.06 0.00 -0.36 0.00 0.00 55.97 54.36 1i6u s LYS 62 Cb -0.14 -4.06 -0.03 0.00 -1.51 0.00 0.00 37.83 32.09 1i6u s LYS 62 CO 0.02 -0.90 0.03 0.08 -0.36 0.00 0.00 175.35 174.22 1i6u s VAL 63 N 1.65 4.20 -0.22 4.02 1.01 0.06 -1.25 120.40 129.88 1i6u s VAL 63 Ca 0.04 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 1i6u s VAL 63 Cb -0.22 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.25 1i6u s VAL 63 CO 0.08 0.40 1.02 -0.70 0.00 0.00 0.00 175.10 175.91 1i6u s GLU 64 N 1.12 4.27 0.10 2.72 2.12 0.07 -1.10 118.70 128.01 1i6u s GLU 64 Ca 0.03 1.34 -0.09 0.00 0.36 0.00 0.00 54.97 56.61 1i6u s GLU 64 Cb -0.14 -3.63 -0.06 0.00 0.26 0.00 0.00 34.13 30.56 1i6u s GLU 64 CO 0.02 -0.59 0.40 -0.51 -0.54 0.00 0.00 175.26 174.05 1i6u s LEU 65 N 3.05 4.32 -0.11 2.70 1.43 -0.67 0.61 118.68 130.02 1i6u s LEU 65 Ca 0.44 0.76 0.18 0.00 -1.03 0.00 0.00 54.13 54.48 1i6u s LEU 65 Cb -0.15 -3.08 0.42 0.00 0.03 0.00 0.00 46.19 43.41 1i6u s LEU 65 CO 0.07 0.14 1.20 2.30 0.23 0.00 0.00 176.35 180.29 1i6u n ILE 66 N 0.70 1.21 -2.47 -0.59 -5.35 -1.26 -4.71 119.36 106.89 1i6u n ILE 66 Ca -0.06 -2.22 -0.15 0.00 -0.27 0.00 0.00 62.75 60.05 1i6u n ILE 66 Cb 0.52 0.32 -0.01 0.00 -1.74 0.00 0.00 39.64 38.73 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 -0.39 -0.50 0.59 3.28 0.00 -1.26 -4.87 105.19 102.03 1i6u n GLY 67 Ca 0.13 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.92 1.94 -4.37 1.61 5.02 -1.26 -4.99 118.16 113.19 1i6u n LYS 68 Ca -0.17 -1.71 -0.34 0.00 -2.02 0.00 0.00 58.31 54.06 1i6u n LYS 68 Cb 0.63 -1.26 -0.10 0.00 -0.02 0.00 0.00 35.03 34.28 1i6u n LYS 68 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1i6u s ILE 69 N -0.99 4.19 -0.20 -0.18 1.01 -1.26 -4.90 121.20 118.86 1i6u s ILE 69 Ca 0.20 -0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 1i6u s ILE 69 Cb 0.11 -2.79 -0.20 0.00 0.01 0.00 0.00 42.46 39.59 1i6u s ILE 69 CO 0.16 0.56 0.04 0.59 0.00 0.00 0.00 174.94 176.29 1i6u n ASN 70 N 2.67 2.03 -3.59 3.58 3.02 -1.25 -4.81 115.26 116.91 1i6u n ASN 70 Ca -0.18 0.11 -0.10 0.00 -0.03 0.00 0.00 54.58 54.38 1i6u n ASN 70 Cb 0.53 -0.69 -0.05 0.00 -0.61 0.00 0.00 39.78 38.95 1i6u n ASN 70 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1i6u s LYS 71 N -2.52 0.56 -0.21 3.52 2.20 -1.26 -4.93 119.74 117.10 1i6u s LYS 71 Ca -0.30 0.22 -0.21 0.00 -0.36 0.00 0.00 55.97 55.32 1i6u s LYS 71 Cb 0.08 0.27 0.06 0.00 -1.51 0.00 0.00 37.83 36.73 1i6u s LYS 71 CO 0.66 -0.16 0.60 0.00 -0.36 0.00 0.00 175.35 176.09 1i6u s GLY 73 N 0.21 -0.01 0.53 0.00 0.00 -1.09 -4.29 107.32 102.67 1i6u s GLY 73 Ca -0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 44.72 44.22 1i6u s GLY 73 CO 0.01 -0.15 0.94 0.00 0.00 0.00 0.00 173.10 173.90 1i6u s ALA 74 N -3.90 3.18 -0.36 3.20 0.00 -1.26 -1.85 121.76 120.77 1i6u s ALA 74 Ca 0.12 -0.10 -0.09 0.00 0.00 0.00 0.00 51.96 51.89 1i6u s ALA 74 Cb -0.05 -2.95 0.03 0.00 0.00 0.00 0.00 23.12 20.15 1i6u s ALA 74 CO 0.07 -0.40 0.16 0.42 0.00 0.00 0.00 175.76 176.02 1i6u s ILE 75 N -2.83 4.29 -0.11 0.00 1.01 -0.43 -4.85 121.20 118.28 1i6u s ILE 75 Ca 0.54 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 60.30 1i6u s ILE 75 Cb -0.10 -3.39 -0.00 0.00 0.01 0.00 0.00 42.46 38.98 1i6u s ILE 75 CO 0.43 -0.19 -0.21 -0.75 0.00 0.00 0.00 174.94 174.22 1i6u s LYS 76 N 1.50 3.14 1.03 2.79 2.47 -1.26 -3.76 119.74 125.64 1i6u s LYS 76 Ca 0.01 -0.82 -0.17 0.00 -1.56 0.00 0.00 55.97 53.42 1i6u s LYS 76 Cb -0.19 -2.41 0.24 0.00 -1.46 0.00 0.00 37.83 34.01 1i6u s LYS 76 CO 0.05 0.16 1.32 -1.25 0.16 0.00 0.00 175.35 175.79 1i6u s PRO 77 N 0.41 0.10 -1.32 4.03 0.04 -1.26 -5.01 135.00 131.99 1i6u s PRO 77 Ca -0.15 -0.47 -0.14 0.00 0.04 0.00 0.00 61.00 60.28 1i6u s PRO 77 Cb -0.17 -1.79 0.11 0.00 0.04 0.00 0.00 34.50 32.69 1i6u s PRO 77 CO 0.07 -2.77 1.83 0.54 0.04 0.00 0.00 177.00 176.71 1i6u n ARG 78 N -4.00 3.25 -1.61 4.56 1.74 -1.25 -4.92 116.66 114.44 1i6u n ARG 78 Ca 0.16 -3.30 -0.56 0.00 -0.77 0.00 0.00 57.85 53.39 1i6u n ARG 78 Cb 0.59 -3.20 -0.07 0.00 -1.02 0.00 0.00 32.46 28.77 1i6u n ARG 78 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1i6u n PHE 79 N 6.05 1.47 -3.03 -1.55 3.72 -1.26 -4.39 117.46 118.47 1i6u n PHE 79 Ca 0.45 0.74 -0.41 0.00 -0.05 0.00 0.00 57.45 58.18 1i6u n PHE 79 Cb 0.41 -2.30 -0.05 0.00 -0.94 0.00 0.00 39.48 36.60 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 1.19 4.25 0.12 -1.08 0.04 -1.26 -0.87 135.00 137.39 1i6u s PRO 80 Ca 0.90 0.77 0.09 0.00 0.04 0.00 0.00 61.00 62.81 1i6u s PRO 80 Cb -1.08 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 29.85 1i6u s PRO 80 CO 0.55 -0.26 -0.23 0.14 0.04 0.00 0.00 177.00 177.24 1i6u s VAL 81 N 1.95 1.96 0.53 -0.36 -7.23 0.17 -4.96 120.40 112.46 1i6u s VAL 81 Ca 0.33 -1.69 -0.01 0.00 -1.81 0.00 0.00 61.98 58.79 1i6u s VAL 81 Cb -0.16 -1.78 0.02 0.00 0.56 0.00 0.00 36.38 35.02 1i6u s VAL 81 CO 0.11 -0.04 0.78 -0.54 -0.31 0.00 0.00 175.10 175.10 1i6u s LYS 82 N -2.11 2.77 0.58 4.82 1.02 -1.26 -0.36 119.74 125.20 1i6u s LYS 82 Ca 0.11 -0.49 0.32 0.00 0.02 0.00 0.00 55.97 55.93 1i6u s LYS 82 Cb -0.09 -2.45 1.33 0.00 -0.52 0.00 0.00 37.83 36.10 1i6u s LYS 82 CO 0.05 -0.60 1.64 1.57 -0.92 0.00 0.00 175.35 177.10 1i6u h LYS 83 N 0.09 0.00 0.00 1.68 2.10 -1.88 0.17 116.57 118.73 1i6u h LYS 83 Ca -0.44 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1i6u h LYS 83 Cb 1.28 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1i6u h LYS 83 CO 0.56 0.00 -0.20 1.19 -2.00 0.00 0.00 179.45 179.00 1i6u n PHE 84 N -3.65 0.00 -1.24 0.07 3.72 -1.26 -4.79 117.46 110.31 1i6u n PHE 84 Ca 0.21 -1.18 0.02 0.00 -0.05 0.00 0.00 57.45 56.44 1i6u n PHE 84 Cb 1.23 -0.19 0.22 0.00 -0.94 0.00 0.00 39.48 39.80 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 -1.30 4.55 0.12 1.37 0.00 0.59 -4.66 105.19 105.85 1i6u n GLY 85 Ca 0.17 -1.15 0.02 0.00 0.00 0.00 0.00 46.02 45.07 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 1.26 0.00 -0.66 1.61 -1.99 -1.87 -3.39 116.97 111.93 1i6u h TYR 86 Ca 0.12 0.00 0.13 0.00 2.00 0.00 0.00 58.73 60.98 1i6u h TYR 86 Cb 1.55 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 40.16 1i6u h TYR 86 CO 0.76 0.49 -0.23 1.49 -0.00 0.00 0.00 178.16 180.66 1i6u h GLU 87 N 0.00 -0.06 -0.36 4.88 4.57 -1.98 0.33 114.58 121.97 1i6u h GLU 87 Ca -0.07 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.19 1i6u h GLU 87 Cb 1.44 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 29.96 1i6u h GLU 87 CO 0.05 -0.04 -0.15 -0.22 -1.18 0.00 0.00 179.01 177.47 1i6u h LYS 88 N -0.06 -0.09 0.00 1.92 3.64 -1.95 -1.94 116.57 118.10 1i6u h LYS 88 Ca 0.30 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.55 1i6u h LYS 88 Cb 0.53 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1i6u h LYS 88 CO -0.71 -0.06 -0.65 0.74 -2.27 0.00 0.00 179.45 176.51 1i6u h PHE 89 N -0.09 0.00 -0.30 1.91 0.04 -1.55 -2.17 116.94 114.79 1i6u h PHE 89 Ca 0.18 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 1i6u h PHE 89 Cb 0.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1i6u h PHE 89 CO -0.38 0.65 0.13 0.93 -0.60 0.00 0.00 178.31 179.04 1i6u h GLU 90 N 0.00 0.43 -0.34 1.51 5.08 -0.56 -1.07 114.58 119.63 1i6u h GLU 90 Ca -0.01 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1i6u h GLU 90 Cb 1.18 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1i6u h GLU 90 CO 0.08 0.42 0.07 -0.22 -1.00 0.00 0.00 179.01 178.37 1i6u h LYS 91 N 0.34 0.50 -0.07 2.33 3.64 -1.26 0.25 116.57 122.30 1i6u h LYS 91 Ca 0.10 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 1i6u h LYS 91 Cb 0.14 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1i6u h LYS 91 CO -0.01 0.47 -0.32 -0.09 -2.27 0.00 0.00 179.45 177.23 1i6u h ARG 92 N 0.49 0.34 0.00 1.90 2.43 -0.92 -3.39 114.38 115.23 1i6u h ARG 92 Ca 0.11 -0.27 -0.27 0.00 -0.81 0.00 0.00 59.98 58.74 1i6u h ARG 92 Cb 0.22 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 1i6u h ARG 92 CO -0.00 0.91 -2.12 0.66 -1.51 0.00 0.00 179.97 177.91 1i6u n TYR 93 N -4.42 0.24 -3.78 2.20 4.01 -0.45 -4.98 117.16 109.98 1i6u n TYR 93 Ca -0.08 0.08 -0.33 0.00 -0.16 0.00 0.00 57.90 57.41 1i6u n TYR 93 Cb 0.50 -0.95 -0.05 0.00 -0.31 0.00 0.00 39.34 38.54 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 -5.43 4.34 0.39 7.72 1.43 0.88 -4.97 118.68 123.04 1i6u s LEU 94 Ca -0.08 0.50 0.07 0.00 -1.03 0.00 0.00 54.13 53.59 1i6u s LEU 94 Cb 0.08 -2.88 0.82 0.00 0.03 0.00 0.00 46.19 44.24 1i6u s LEU 94 CO 0.84 0.19 2.02 -0.65 0.23 0.00 0.00 176.35 178.97 1i6u h PRO 95 N 3.52 0.62 -1.45 1.29 0.11 -1.83 -3.43 132.00 130.82 1i6u h PRO 95 Ca -0.48 -0.04 0.25 0.00 0.11 0.00 0.00 66.00 65.84 1i6u h PRO 95 Cb 1.18 -0.14 -0.20 0.00 0.11 0.00 0.00 31.00 31.96 1i6u h PRO 95 CO 0.70 0.41 0.81 0.00 -0.21 0.00 0.00 178.00 179.71 1i6u s ALA 96 N -5.56 -2.07 0.05 -0.75 0.00 -1.26 -5.01 121.76 107.15 1i6u s ALA 96 Ca -0.09 1.62 -0.09 0.00 0.00 0.00 0.00 51.96 53.40 1i6u s ALA 96 Cb 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 1i6u s ALA 96 CO 0.75 -0.56 0.45 -2.13 0.00 0.00 0.00 175.76 174.27 1i6u n ARG 97 N -0.02 -0.13 -0.98 0.00 0.63 -1.26 0.23 116.66 115.12 1i6u n ARG 97 Ca 0.00 0.45 -0.01 0.00 -0.92 0.00 0.00 57.85 57.37 1i6u n ARG 97 Cb 0.58 -0.66 0.35 0.00 0.45 0.00 0.00 32.46 33.19 1i6u n ARG 97 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1i6u n ASP 98 N -4.37 5.26 -4.05 6.15 5.75 -1.26 -4.82 116.55 119.20 1i6u n ASP 98 Ca 0.01 -3.10 -0.34 0.00 -0.01 0.00 0.00 54.79 51.35 1i6u n ASP 98 Cb 0.08 -0.73 -0.12 0.00 -1.03 0.00 0.00 41.12 39.32 1i6u n ASP 98 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1i6u s PHE 99 N -2.90 3.48 0.00 2.11 2.19 0.14 -5.05 117.98 117.95 1i6u s PHE 99 Ca 0.55 -2.80 0.00 0.00 0.33 0.00 0.00 56.93 55.01 1i6u s PHE 99 Cb 0.43 -3.06 0.00 0.00 -1.31 0.00 0.00 43.02 39.08 1i6u s PHE 99 CO 0.15 -0.88 0.00 0.41 1.83 0.00 0.00 175.22 176.73 1i6u n GLY 100 N 3.87 -2.95 3.24 13.12 0.00 -1.26 -4.03 105.19 117.18 1i6u n GLY 100 Ca 0.04 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.70 0.04 -0.06 -0.61 -4.36 0.81 -4.99 121.20 111.33 1i6u s ILE 101 Ca 0.00 -1.85 0.03 0.00 -0.26 0.00 0.00 60.65 58.57 1i6u s ILE 101 Cb 0.00 -2.27 -0.02 0.00 1.25 0.00 0.00 42.46 41.42 1i6u s ILE 101 CO 0.00 -0.16 -0.14 -0.76 0.24 0.00 0.00 174.94 174.12 1i6u s LEU 102 N -3.09 2.77 -0.24 0.37 1.43 -1.26 -1.11 118.68 117.54 1i6u s LEU 102 Ca 0.31 -0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 53.12 1i6u s LEU 102 Cb 0.06 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1i6u s LEU 102 CO 0.08 0.32 0.11 -0.63 0.23 0.00 0.00 176.35 176.46 1i6u s ILE 103 N -0.59 4.79 0.03 -0.59 1.01 0.05 -0.58 121.20 125.31 1i6u s ILE 103 Ca 0.08 -0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.79 1i6u s ILE 103 Cb -0.11 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 1i6u s ILE 103 CO 0.01 0.35 -0.19 -0.69 0.00 0.00 0.00 174.94 174.42 1i6u s VAL 104 N 1.29 2.70 -0.39 2.92 1.01 -1.26 0.17 120.40 126.85 1i6u s VAL 104 Ca 0.06 -1.14 -0.14 0.00 0.00 0.00 0.00 61.98 60.75 1i6u s VAL 104 Cb -0.15 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.14 1i6u s VAL 104 CO 0.05 0.39 0.28 -0.55 0.00 0.00 0.00 175.10 175.27 1i6u s SER 105 N -1.27 6.10 0.50 3.32 0.15 0.40 -4.24 113.70 118.66 1i6u s SER 105 Ca 0.14 -0.74 0.05 0.00 0.70 0.00 0.00 55.95 56.10 1i6u s SER 105 Cb -0.10 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1i6u s SER 105 CO 0.04 -0.38 0.29 0.42 1.20 0.00 0.00 173.24 174.80 1i6u s THR 106 N 1.70 1.81 0.09 6.45 -4.23 0.40 -1.11 115.64 120.75 1i6u s THR 106 Ca 0.05 -1.61 0.33 0.00 -1.18 0.00 0.00 61.69 59.29 1i6u s THR 106 Cb -0.18 -2.41 0.37 0.00 1.34 0.00 0.00 72.50 71.61 1i6u s THR 106 CO 0.10 0.00 1.99 0.00 -0.54 0.00 0.00 174.62 176.17 1i6u h THR 107 N 1.02 0.00 -0.54 3.99 1.03 -1.97 -1.50 112.91 114.94 1i6u h THR 107 Ca -0.40 -0.33 -0.13 0.00 -0.01 0.00 0.00 66.41 65.54 1i6u h THR 107 Cb 1.29 1.25 -0.08 0.00 -1.07 0.00 0.00 68.15 69.54 1i6u h THR 107 CO 0.63 0.00 0.13 0.00 -0.01 0.00 0.00 175.52 176.26 1i6u n GLN 108 N -2.88 3.34 0.00 0.00 6.02 -1.26 -5.05 117.38 117.54 1i6u n GLN 108 Ca 0.00 -3.05 0.00 0.00 -0.01 0.00 0.00 57.00 53.94 1i6u n GLN 108 Cb 0.23 -2.06 0.00 0.00 1.02 0.00 0.00 30.24 29.42 1i6u n GLN 108 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i6u n GLY 109 N -0.33 -2.91 3.84 1.08 0.00 -0.56 -5.20 105.19 101.10 1i6u n GLY 109 Ca 0.33 -2.17 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.90 4.77 0.43 1.61 1.01 -1.26 -0.45 120.40 125.61 1i6u s VAL 110 Ca 0.00 0.90 -0.09 0.00 0.00 0.00 0.00 61.98 62.79 1i6u s VAL 110 Cb 0.00 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 1i6u s VAL 110 CO 0.00 0.13 0.78 -0.94 0.00 0.00 0.00 175.10 175.06 1i6u s SER 112 N -1.88 6.45 0.48 3.32 1.04 -1.26 -4.92 113.70 116.93 1i6u s SER 112 Ca 0.43 1.08 0.23 0.00 0.48 0.00 0.00 55.95 58.17 1i6u s SER 112 Cb -0.14 -2.31 1.20 0.00 0.10 0.00 0.00 66.02 64.87 1i6u s SER 112 CO 0.20 -0.45 1.98 1.12 0.98 0.00 0.00 173.24 177.06 1i6u h HIS 113 N 0.97 0.00 -0.57 5.02 -0.00 -1.21 -2.00 115.15 117.37 1i6u h HIS 113 Ca -0.47 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 59.93 1i6u h HIS 113 Cb 1.19 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.56 1i6u h HIS 113 CO 0.60 0.19 0.33 0.93 -0.00 0.00 0.00 177.93 179.98 1i6u h GLU 114 N 0.00 0.63 -0.34 5.12 5.08 -1.98 0.21 114.58 123.29 1i6u h GLU 114 Ca -0.00 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1i6u h GLU 114 Cb 0.47 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1i6u h GLU 114 CO 0.02 0.42 -0.18 0.93 -1.00 0.00 0.00 179.01 179.20 1i6u h GLU 115 N 0.65 0.73 -0.74 2.33 4.39 -1.81 -2.35 114.58 117.78 1i6u h GLU 115 Ca 0.23 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1i6u h GLU 115 Cb 0.06 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 1i6u h GLU 115 CO -0.12 0.93 0.48 0.00 -1.16 0.00 0.00 179.01 179.14 1i6u h ALA 116 N 0.78 0.93 -0.05 3.43 0.00 -0.79 -1.67 119.26 121.88 1i6u h ALA 116 Ca 0.07 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1i6u h ALA 116 Cb 0.72 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1i6u h ALA 116 CO 0.05 0.37 -0.33 0.87 0.00 0.00 0.00 179.25 180.21 1i6u h LYS 117 N 1.00 0.09 -0.12 0.00 1.57 -0.55 -0.15 116.57 118.42 1i6u h LYS 117 Ca 0.27 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1i6u h LYS 117 Cb -0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1i6u h LYS 117 CO -0.06 0.42 -0.50 0.87 -0.57 0.00 0.00 179.45 179.62 1i6u h LYS 118 N 0.08 0.31 -0.02 3.15 1.57 -0.80 -2.87 116.57 118.00 1i6u h LYS 118 Ca 0.01 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1i6u h LYS 118 Cb 0.63 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1i6u h LYS 118 CO 0.05 0.74 0.00 0.54 -0.57 0.00 0.00 179.45 180.21 1i6u n ARG 119 N -3.96 1.71 -3.31 3.15 1.74 -0.70 -4.95 116.66 110.33 1i6u n ARG 119 Ca -0.02 -1.03 -0.18 0.00 -0.77 0.00 0.00 57.85 55.85 1i6u n ARG 119 Cb 0.55 -1.48 0.07 0.00 -1.02 0.00 0.00 32.46 30.58 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 1.19 -0.24 3.53 -0.13 0.00 -0.40 -5.01 105.19 104.13 1i6u n GLY 120 Ca 0.19 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.90 2.95 0.00 0.99 1.43 -0.20 -4.81 118.68 113.13 1i6u s LEU 121 Ca 0.34 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1i6u s LEU 121 Cb -0.15 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.42 1i6u s LEU 121 CO 0.58 0.33 0.00 0.61 0.23 0.00 0.00 176.35 178.11 1i6u n GLY 122 N 2.07 0.99 0.00 -3.19 0.00 -1.26 -4.24 105.19 99.56 1i6u n GLY 122 Ca -0.17 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1i6u n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i6u n GLY 123 N 5.00 -1.05 3.28 -0.02 0.00 0.51 -4.62 105.19 108.28 1i6u n GLY 123 Ca 0.00 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.48 3.27 0.25 1.61 1.81 -0.27 0.42 118.95 124.56 1i6u s ARG 124 Ca 0.00 -0.71 -0.30 0.00 -1.72 0.00 0.00 55.73 53.00 1i6u s ARG 124 Cb 0.00 -2.75 -0.10 0.00 -0.45 0.00 0.00 34.95 31.65 1i6u s ARG 124 CO 0.00 -0.06 1.41 -0.51 -0.68 0.00 0.00 175.30 175.46 1i6u s LEU 125 N 1.03 4.39 -0.14 2.53 1.43 -0.05 -0.45 118.68 127.43 1i6u s LEU 125 Ca -0.01 2.62 -0.04 0.00 -1.03 0.00 0.00 54.13 55.68 1i6u s LEU 125 Cb -0.15 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.38 1i6u s LEU 125 CO -0.02 -0.66 -0.16 0.18 0.23 0.00 0.00 176.35 175.92 1i6u n LEU 126 N 2.25 1.85 0.00 1.79 4.77 0.13 -4.23 117.00 123.57 1i6u n LEU 126 Ca 0.06 0.07 -0.06 0.00 -0.03 0.00 0.00 56.01 56.05 1i6u n LEU 126 Cb 0.41 -0.44 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1i6u n LEU 126 CO 0.60 0.48 0.28 0.00 -1.33 0.00 0.00 177.39 177.42 1i6u n ALA 127 N -3.32 -0.91 -3.05 -1.18 0.00 -1.00 -1.31 120.51 109.75 1i6u n ALA 127 Ca -0.26 -0.75 -0.10 0.00 0.00 0.00 0.00 53.44 52.33 1i6u n ALA 127 Cb 0.72 0.60 -0.10 0.00 0.00 0.00 0.00 19.45 20.67 1i6u n ALA 127 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1i6u s TYR 128 N -4.93 0.14 -0.15 0.00 -0.85 -0.77 -0.77 117.35 110.01 1i6u s TYR 128 Ca 0.10 -0.32 -0.10 0.00 -0.52 0.00 0.00 57.07 56.23 1i6u s TYR 128 Cb -0.03 -0.11 0.05 0.00 0.38 0.00 0.00 41.96 42.25 1i6u s TYR 128 CO 0.07 -0.25 0.38 0.08 -1.52 0.00 0.00 175.55 174.32 1i6u s VAL 129 N -1.44 -0.02 0.00 -3.49 1.01 -0.27 -2.67 120.40 113.52 1i6u s VAL 129 Ca -0.15 0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1i6u s VAL 129 Cb -0.09 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1i6u s VAL 129 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 175.10 175.13