#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gaj h ILE 3 N 0.00 0.22 -3.58 -0.18 3.07 -2.13 -3.40 117.51 111.51 3gaj h ILE 3 Ca 0.00 -0.64 -0.64 0.00 1.55 0.00 0.00 64.86 65.13 3gaj h ILE 3 Cb 0.00 1.52 -0.14 0.00 -0.27 0.00 0.00 36.82 37.93 3gaj h ILE 3 CO 0.00 0.07 0.14 -0.72 -1.05 0.00 0.00 178.15 176.59 3gaj s TYR 4 N -3.77 3.10 -0.20 0.16 -0.85 -1.26 -4.90 117.35 109.64 3gaj s TYR 4 Ca 0.00 0.15 0.22 0.00 -0.52 0.00 0.00 57.07 56.93 3gaj s TYR 4 Cb 0.10 -3.25 -0.15 0.00 0.38 0.00 0.00 41.96 39.04 3gaj s TYR 4 CO 0.56 -0.75 0.79 0.25 -1.52 0.00 0.00 175.55 174.89 3gaj n THR 5 N 5.73 0.29 -0.63 -3.49 -2.24 -1.26 -4.97 114.28 107.70 3gaj n THR 5 Ca -0.01 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3gaj n THR 5 Cb 0.48 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 3gaj n THR 5 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3gaj n LYS 6 N -2.39 0.00 0.29 -0.78 5.02 -1.26 -4.87 118.16 114.17 3gaj n LYS 6 Ca -0.01 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.45 3gaj n LYS 6 Cb 0.54 -3.14 0.89 0.00 -0.02 0.00 0.00 35.03 33.30 3gaj n LYS 6 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3gaj h ASN 7 N 0.00 0.00 -0.12 4.39 2.35 -1.94 -1.70 115.58 118.56 3gaj h ASN 7 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3gaj h ASN 7 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3gaj h ASN 7 CO 0.00 0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.43 3gaj n GLY 8 N -0.66 0.13 0.30 2.83 0.00 -1.26 -4.41 105.19 102.11 3gaj n GLY 8 Ca -0.02 -0.40 0.20 0.00 0.00 0.00 0.00 46.02 45.80 3gaj n GLY 8 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gaj h ASP 9 N 2.07 0.00 -0.52 1.61 3.32 -1.59 -1.59 116.42 119.71 3gaj h ASP 9 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gaj h ASP 9 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3gaj h ASP 9 CO 0.00 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 3gaj n LYS 10 N -3.04 2.59 0.00 3.56 4.01 -1.26 -4.97 118.16 119.04 3gaj n LYS 10 Ca -0.01 -2.42 0.00 0.00 -0.51 0.00 0.00 58.31 55.37 3gaj n LYS 10 Cb 0.19 -1.52 0.00 0.00 -0.51 0.00 0.00 35.03 33.19 3gaj n LYS 10 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3gaj n GLY 11 N 1.51 0.44 3.69 0.72 0.00 -0.60 -5.07 105.19 105.88 3gaj n GLY 11 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 3gaj n GLY 11 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gaj s GLN 12 N -0.98 2.49 0.07 1.61 -0.21 -1.26 -1.04 119.66 120.35 3gaj s GLN 12 Ca 0.00 -1.12 -0.12 0.00 0.02 0.00 0.00 55.36 54.14 3gaj s GLN 12 Cb 0.00 -2.38 0.01 0.00 1.00 0.00 0.00 33.01 31.64 3gaj s GLN 12 CO 0.00 0.44 0.27 -0.08 -2.12 0.00 0.00 175.29 173.80 3gaj s THR 13 N -1.85 0.10 0.10 -0.19 -1.32 0.04 -4.19 115.64 108.33 3gaj s THR 13 Ca 0.29 -0.83 -0.21 0.00 -1.21 0.00 0.00 61.69 59.72 3gaj s THR 13 Cb -0.09 -1.08 -0.07 0.00 -1.51 0.00 0.00 72.50 69.75 3gaj s THR 13 CO 0.20 -0.46 0.63 -0.13 -2.21 0.00 0.00 174.62 172.65 3gaj s ARG 14 N -3.10 4.31 0.00 7.08 1.81 -1.26 -0.89 118.95 126.90 3gaj s ARG 14 Ca -0.01 0.87 0.00 0.00 -1.72 0.00 0.00 55.73 54.87 3gaj s ARG 14 Cb 0.01 -3.25 0.00 0.00 -0.45 0.00 0.00 34.95 31.27 3gaj s ARG 14 CO -0.07 0.62 0.00 0.44 -0.68 0.00 0.00 175.30 175.61 3gaj n ILE 15 N 1.68 0.00 -2.43 1.52 -5.35 -0.86 -4.96 119.36 108.96 3gaj n ILE 15 Ca -0.09 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 61.98 3gaj n ILE 15 Cb 0.50 -1.01 -0.04 0.00 -1.74 0.00 0.00 39.64 37.36 3gaj n ILE 15 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3gaj s ILE 16 N 1.23 3.72 0.00 7.28 1.01 -0.73 -4.71 121.20 129.01 3gaj s ILE 16 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 60.65 62.09 3gaj s ILE 16 Cb 0.00 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.55 3gaj s ILE 16 CO 0.00 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.78 3gaj n GLY 17 N 2.23 -1.47 0.03 6.18 0.00 -1.26 -4.52 105.19 106.37 3gaj n GLY 17 Ca 0.04 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.48 3gaj n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gaj n LYS 18 N 0.00 0.16 -2.43 1.61 5.02 -1.26 -4.96 118.16 116.31 3gaj n LYS 18 Ca 0.00 0.02 -0.38 0.00 -2.02 0.00 0.00 58.31 55.93 3gaj n LYS 18 Cb 0.00 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.40 3gaj n LYS 18 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3gaj s GLN 19 N -3.11 4.24 0.08 1.97 -0.21 -1.26 -4.93 119.66 116.44 3gaj s GLN 19 Ca 0.07 1.72 0.06 0.00 0.02 0.00 0.00 55.36 57.23 3gaj s GLN 19 Cb 0.15 -2.76 -0.04 0.00 1.00 0.00 0.00 33.01 31.37 3gaj s GLN 19 CO 0.75 -0.12 -0.09 0.96 -2.12 0.00 0.00 175.29 174.67 3gaj s ILE 20 N -1.44 3.44 0.06 1.08 -4.36 -1.26 -2.03 121.20 116.69 3gaj s ILE 20 Ca 0.54 -1.14 0.02 0.00 -0.26 0.00 0.00 60.65 59.81 3gaj s ILE 20 Cb -0.28 -2.58 -0.03 0.00 1.25 0.00 0.00 42.46 40.82 3gaj s ILE 20 CO 0.35 0.18 -0.07 -0.76 0.24 0.00 0.00 174.94 174.89 3gaj s LEU 21 N -2.00 2.36 0.63 0.37 1.43 -0.07 -4.92 118.68 116.47 3gaj s LEU 21 Ca 0.20 -0.74 -0.19 0.00 -1.03 0.00 0.00 54.13 52.37 3gaj s LEU 21 Cb -0.11 -0.10 -0.02 0.00 0.03 0.00 0.00 46.19 45.99 3gaj s LEU 21 CO 0.12 -0.33 1.30 -0.31 0.23 0.00 0.00 176.35 177.37 3gaj s TYR 22 N -2.36 2.13 0.27 0.29 2.02 -1.26 -0.78 117.35 117.65 3gaj s TYR 22 Ca -0.01 1.46 0.33 0.00 -0.37 0.00 0.00 57.07 58.48 3gaj s TYR 22 Cb -0.03 -3.71 1.50 0.00 -0.40 0.00 0.00 41.96 39.32 3gaj s TYR 22 CO -0.02 -2.90 2.05 0.87 -1.57 0.00 0.00 175.55 173.97 3gaj h LYS 23 N 0.73 0.00 -0.22 -0.62 1.57 -1.43 -0.94 116.57 115.66 3gaj h LYS 23 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3gaj h LYS 23 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 3gaj h LYS 23 CO 0.54 0.06 0.00 0.27 -0.57 0.00 0.00 179.45 179.75 3gaj n ASN 24 N -3.25 1.60 -4.74 0.86 6.94 -1.26 -4.36 115.26 111.05 3gaj n ASN 24 Ca -0.01 -1.81 -0.41 0.00 -0.02 0.00 0.00 54.58 52.33 3gaj n ASN 24 Cb 0.27 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 3gaj n ASN 24 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 3gaj n ASP 25 N 0.31 3.15 -0.33 0.53 -0.08 -0.36 -4.75 116.55 115.02 3gaj n ASP 25 Ca 0.14 1.17 0.29 0.00 -1.51 0.00 0.00 54.79 54.88 3gaj n ASP 25 Cb 0.29 -1.55 0.62 0.00 2.34 0.00 0.00 41.12 42.82 3gaj n ASP 25 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3gaj h PRO 26 N 2.51 0.20 -0.16 -0.67 0.11 -1.92 -0.94 132.00 131.14 3gaj h PRO 26 Ca -0.49 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3gaj h PRO 26 Cb 1.27 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3gaj h PRO 26 CO 0.62 0.13 -0.06 -0.09 -0.21 0.00 0.00 178.00 178.39 3gaj h ARG 27 N 0.21 0.31 -0.52 1.05 2.43 -1.92 -1.46 114.38 114.48 3gaj h ARG 27 Ca 0.60 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 59.56 3gaj h ARG 27 Cb 1.90 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.42 3gaj h ARG 27 CO -0.19 0.62 -0.01 0.28 -1.51 0.00 0.00 179.97 179.16 3gaj h VAL 28 N -0.00 1.25 -0.75 0.20 2.07 -1.57 -2.14 116.25 115.32 3gaj h VAL 28 Ca 0.04 -1.07 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 3gaj h VAL 28 Cb 0.51 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3gaj h VAL 28 CO 0.02 0.38 0.27 0.00 0.02 0.00 0.00 177.57 178.27 3gaj h ALA 29 N 1.17 1.08 0.25 1.67 0.00 -1.17 0.11 119.26 122.35 3gaj h ALA 29 Ca 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3gaj h ALA 29 Cb 0.50 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3gaj h ALA 29 CO 0.02 0.64 -0.12 0.00 0.00 0.00 0.00 179.25 179.80 3gaj h ALA 30 N 1.20 -0.33 0.00 0.00 0.00 -0.69 -0.21 119.26 119.23 3gaj h ALA 30 Ca 0.25 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3gaj h ALA 30 Cb 0.24 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3gaj h ALA 30 CO -0.02 -0.56 -0.13 0.10 0.00 0.00 0.00 179.25 178.64 3gaj h TYR 31 N -0.57 0.00 -0.68 0.00 -0.00 -1.41 -2.33 116.97 111.98 3gaj h TYR 31 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.64 3gaj h TYR 31 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.12 3gaj h TYR 31 CO 0.01 0.13 0.19 0.78 -0.00 0.00 0.00 178.16 179.27 3gaj h GLY 32 N 3.13 1.16 1.58 0.10 0.00 -0.66 -1.30 103.07 107.07 3gaj h GLY 32 Ca -0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.52 3gaj h GLY 32 CO 0.02 0.66 -0.31 0.83 0.00 0.00 0.00 176.54 177.74 3gaj h GLU 33 N 1.01 0.49 -0.48 4.80 4.39 -0.71 -0.89 114.58 123.18 3gaj h GLU 33 Ca 0.22 -0.20 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 3gaj h GLU 33 Cb 0.33 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 3gaj h GLU 33 CO -0.00 0.74 0.02 0.28 -1.16 0.00 0.00 179.01 178.89 3gaj h VAL 34 N 0.42 1.24 -0.52 3.13 2.07 -1.16 -0.42 116.25 121.00 3gaj h VAL 34 Ca 0.05 -0.96 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 3gaj h VAL 34 Cb 0.75 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3gaj h VAL 34 CO 0.06 0.34 0.09 -0.78 0.02 0.00 0.00 177.57 177.30 3gaj h ASP 35 N 0.73 0.82 -0.52 0.57 3.58 -0.78 0.24 116.42 121.06 3gaj h ASP 35 Ca 0.15 -0.26 0.01 0.00 0.42 0.00 0.00 57.03 57.35 3gaj h ASP 35 Cb 0.42 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 3gaj h ASP 35 CO 0.02 0.87 0.35 -0.08 -2.88 0.00 0.00 179.24 177.52 3gaj h GLU 36 N 0.74 0.69 -0.53 0.28 4.81 -0.87 -0.56 114.58 119.15 3gaj h GLU 36 Ca 0.16 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3gaj h GLU 36 Cb 0.40 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 3gaj h GLU 36 CO 0.01 0.46 0.32 1.25 -0.73 0.00 0.00 179.01 180.32 3gaj h LEU 37 N 0.71 0.52 -0.77 1.64 5.85 -0.78 -1.04 115.31 121.44 3gaj h LEU 37 Ca 0.19 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.92 3gaj h LEU 37 Cb -0.08 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3gaj h LEU 37 CO -0.04 0.37 0.51 -1.13 -0.34 0.00 0.00 178.44 177.81 3gaj h ASN 38 N 0.64 0.88 -0.70 1.25 -0.00 -0.44 0.14 115.58 117.35 3gaj h ASN 38 Ca 0.21 -0.02 -0.06 0.00 -0.00 0.00 0.00 56.30 56.43 3gaj h ASN 38 Cb 0.02 -0.22 -0.03 0.00 -0.00 0.00 0.00 38.32 38.09 3gaj h ASN 38 CO -0.09 0.64 0.21 0.28 -0.00 0.00 0.00 177.43 178.46 3gaj h SER 39 N 1.04 1.03 -0.60 1.15 0.02 -0.74 -1.43 113.55 114.03 3gaj h SER 39 Ca 0.28 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 3gaj h SER 39 Cb -0.12 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.12 3gaj h SER 39 CO -0.06 0.97 0.19 -0.25 -1.14 0.00 0.00 176.83 176.54 3gaj h TRP 40 N 1.04 1.00 -0.91 3.45 2.91 -0.38 -1.01 115.95 122.05 3gaj h TRP 40 Ca 0.23 -0.09 0.00 0.00 1.13 0.00 0.00 58.89 60.16 3gaj h TRP 40 Cb 0.32 -0.29 -0.04 0.00 -0.51 0.00 0.00 29.16 28.63 3gaj h TRP 40 CO 0.03 0.80 0.57 0.28 -1.03 0.00 0.00 178.44 179.09 3gaj h VAL 41 N 0.93 1.24 -0.62 2.65 2.07 -0.32 0.15 116.25 122.35 3gaj h VAL 41 Ca 0.21 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3gaj h VAL 41 Cb 0.28 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 3gaj h VAL 41 CO -0.01 0.25 0.41 1.23 0.02 0.00 0.00 177.57 179.46 3gaj h GLY 42 N 1.24 0.87 0.95 2.17 0.00 -0.71 -0.24 103.07 107.34 3gaj h GLY 42 Ca 0.33 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 3gaj h GLY 42 CO -0.07 0.31 0.17 -1.82 0.00 0.00 0.00 176.54 175.13 3gaj h TYR 43 N 0.82 0.59 -0.52 5.60 3.20 -0.57 -2.06 116.97 124.04 3gaj h TYR 43 Ca 0.23 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.10 3gaj h TYR 43 Cb -0.08 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 37.97 3gaj h TYR 43 CO -0.03 0.52 0.29 1.15 -1.64 0.00 0.00 178.16 178.44 3gaj h THR 44 N 0.50 1.00 -0.22 1.81 2.02 -0.36 -1.83 112.91 115.82 3gaj h THR 44 Ca 0.13 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 3gaj h THR 44 Cb 0.17 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3gaj h THR 44 CO -0.01 0.10 0.13 0.50 0.37 0.00 0.00 175.52 176.61 3gaj h LYS 45 N 0.56 0.29 0.00 6.66 3.64 -0.75 -0.86 116.57 126.11 3gaj h LYS 45 Ca 0.22 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3gaj h LYS 45 Cb 0.09 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3gaj h LYS 45 CO -0.13 0.21 0.00 -1.13 -2.27 0.00 0.00 179.45 176.13 3gaj n SER 46 N -4.49 0.29 -0.45 4.20 3.41 -0.69 -2.11 113.62 113.78 3gaj n SER 46 Ca 0.00 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 3gaj n SER 46 Cb 0.09 -0.64 0.25 0.00 -0.26 0.00 0.00 64.21 63.65 3gaj n SER 46 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gaj n LEU 47 N -1.83 1.65 -4.74 1.04 4.77 -0.33 -4.96 117.00 112.61 3gaj n LEU 47 Ca 0.02 -0.54 -0.40 0.00 -0.03 0.00 0.00 56.01 55.05 3gaj n LEU 47 Cb 0.16 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 3gaj n LEU 47 CO 0.14 0.30 0.99 -0.38 -1.33 0.00 0.00 177.39 177.10 3gaj n ILE 48 N -0.09 2.63 -4.17 -0.08 2.08 -0.90 -4.79 119.36 114.04 3gaj n ILE 48 Ca 0.13 -0.50 -0.09 0.00 0.56 0.00 0.00 62.75 62.84 3gaj n ILE 48 Cb 0.42 -1.73 -0.03 0.00 -0.75 0.00 0.00 39.64 37.55 3gaj n ILE 48 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 3gaj n ASN 49 N 0.04 0.87 0.24 4.38 0.23 -1.26 -4.98 115.26 114.79 3gaj n ASN 49 Ca 0.05 -1.81 0.08 0.00 -0.53 0.00 0.00 54.58 52.38 3gaj n ASN 49 Cb 0.40 0.41 0.60 0.00 -2.08 0.00 0.00 39.78 39.12 3gaj n ASN 49 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3gaj h SER 50 N 0.62 0.00 1.10 0.53 4.64 -2.01 -1.09 113.55 117.35 3gaj h SER 50 Ca -0.11 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.14 3gaj h SER 50 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3gaj h SER 50 CO 0.18 0.14 -0.31 0.45 -0.87 0.00 0.00 176.83 176.42 3gaj h HIS 51 N 0.00 0.00 0.00 4.77 3.86 -1.96 -3.34 115.15 118.47 3gaj h HIS 51 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3gaj h HIS 51 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 3gaj h HIS 51 CO 0.00 0.31 -0.01 0.25 0.86 0.00 0.00 177.93 179.34 3gaj n THR 52 N -3.36 1.00 -0.23 2.45 -2.24 -0.50 -4.73 114.28 106.67 3gaj n THR 52 Ca 0.01 -1.05 0.24 0.00 -2.27 0.00 0.00 64.05 60.97 3gaj n THR 52 Cb 0.52 0.45 0.60 0.00 -2.10 0.00 0.00 70.33 69.81 3gaj n THR 52 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3gaj h GLN 53 N 0.00 0.22 0.00 -0.78 5.75 -1.47 -0.57 115.11 118.27 3gaj h GLN 53 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3gaj h GLN 53 Cb 0.62 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.12 3gaj h GLN 53 CO 0.00 0.15 0.00 -0.39 -2.65 0.00 0.00 178.83 175.94 3gaj h VAL 54 N 0.23 0.00 0.00 2.39 -1.51 -1.89 -1.59 116.25 113.88 3gaj h VAL 54 Ca 0.47 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.92 3gaj h VAL 54 Cb 1.47 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 3gaj h VAL 54 CO -0.12 0.00 -0.61 0.18 -1.23 0.00 0.00 177.57 175.79 3gaj n LEU 55 N -2.45 0.58 0.02 4.19 4.77 -0.22 -4.55 117.00 119.33 3gaj n LEU 55 Ca -0.02 -0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.81 3gaj n LEU 55 Cb 0.06 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 3gaj n LEU 55 CO 0.13 0.12 0.79 -1.28 -1.33 0.00 0.00 177.39 175.82 3gaj h SER 56 N 0.00 0.01 -0.63 -1.43 0.87 -1.43 -2.94 113.55 108.00 3gaj h SER 56 Ca 0.00 -0.16 -0.05 0.00 -1.23 0.00 0.00 61.79 60.35 3gaj h SER 56 Cb 0.54 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 3gaj h SER 56 CO 0.00 0.17 0.19 0.78 -0.53 0.00 0.00 176.83 177.44 3gaj h ASN 57 N -0.15 0.92 0.28 6.23 2.35 -1.80 -2.54 115.58 120.87 3gaj h ASN 57 Ca 0.00 -0.21 -0.09 0.00 -0.55 0.00 0.00 56.30 55.46 3gaj h ASN 57 Cb 0.16 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3gaj h ASN 57 CO -0.00 0.89 -0.36 1.05 -1.65 0.00 0.00 177.43 177.35 3gaj h GLU 58 N 0.91 0.12 -0.71 0.81 4.11 -1.84 -1.32 114.58 116.66 3gaj h GLU 58 Ca 0.20 -0.05 -0.05 0.00 0.07 0.00 0.00 59.36 59.53 3gaj h GLU 58 Cb 0.30 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3gaj h GLU 58 CO -0.01 0.47 0.23 -0.07 0.07 0.00 0.00 179.01 179.71 3gaj h LEU 59 N 0.11 1.01 -0.56 3.06 3.38 -1.28 -0.59 115.31 120.44 3gaj h LEU 59 Ca 0.01 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 3gaj h LEU 59 Cb 0.69 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3gaj h LEU 59 CO 0.05 0.94 0.13 -0.08 0.09 0.00 0.00 178.44 179.56 3gaj h GLU 60 N 1.05 0.90 -0.75 1.13 4.81 -1.04 -1.88 114.58 118.81 3gaj h GLU 60 Ca 0.23 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3gaj h GLU 60 Cb 0.28 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 3gaj h GLU 60 CO -0.01 0.85 0.49 1.49 -0.73 0.00 0.00 179.01 181.10 3gaj h GLU 61 N 0.80 0.99 -0.99 1.92 4.57 -0.96 -1.85 114.58 119.07 3gaj h GLU 61 Ca 0.17 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.34 3gaj h GLU 61 Cb 0.36 -0.22 -0.06 0.00 -0.16 0.00 0.00 28.75 28.67 3gaj h GLU 61 CO 0.00 0.66 0.64 0.82 -1.18 0.00 0.00 179.01 179.96 3gaj h ILE 62 N 1.02 1.15 -0.75 2.32 2.04 -0.72 -1.40 117.51 121.17 3gaj h ILE 62 Ca 0.27 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 3gaj h ILE 62 Cb -0.11 -0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 35.75 3gaj h ILE 62 CO -0.06 0.22 0.40 1.56 0.00 0.00 0.00 178.15 180.28 3gaj h GLN 63 N 1.23 1.05 -0.35 2.37 4.20 -0.55 0.80 115.11 123.85 3gaj h GLN 63 Ca 0.40 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.95 3gaj h GLN 63 Cb 0.04 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 3gaj h GLN 63 CO -0.14 0.78 0.07 1.96 -0.67 0.00 0.00 178.83 180.83 3gaj h GLN 64 N 1.06 0.58 -0.62 1.46 1.08 -0.84 -2.57 115.11 115.26 3gaj h GLN 64 Ca 0.27 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 3gaj h GLN 64 Cb 0.04 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 3gaj h GLN 64 CO -0.04 0.64 0.30 -0.07 -0.95 0.00 0.00 178.83 178.71 3gaj h LEU 65 N 0.42 0.78 -0.90 1.46 3.38 -0.69 -2.69 115.31 117.07 3gaj h LEU 65 Ca 0.11 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3gaj h LEU 65 Cb 0.34 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3gaj h LEU 65 CO 0.01 0.66 -0.46 -0.07 0.09 0.00 0.00 178.44 178.67 3gaj h LEU 66 N 0.87 0.21 -0.62 1.67 3.38 -0.67 -0.79 115.31 119.36 3gaj h LEU 66 Ca 0.22 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3gaj h LEU 66 Cb 0.09 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3gaj h LEU 66 CO -0.03 0.65 0.36 0.15 0.09 0.00 0.00 178.44 179.66 3gaj h PHE 67 N 0.16 0.84 -0.81 1.13 3.57 -1.15 -0.04 116.94 120.64 3gaj h PHE 67 Ca 0.01 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3gaj h PHE 67 Cb 0.88 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 3gaj h PHE 67 CO 0.01 0.59 0.40 -0.44 -2.23 0.00 0.00 178.31 176.64 3gaj h ASP 68 N 0.85 1.05 -0.30 0.41 3.32 -1.09 -1.02 116.42 119.63 3gaj h ASP 68 Ca 0.22 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3gaj h ASP 68 Cb 0.01 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3gaj h ASP 68 CO -0.04 0.88 0.08 0.00 -1.72 0.00 0.00 179.24 178.44 3gaj h GLY 70 N 0.33 0.84 0.39 0.00 0.00 -0.72 -1.41 103.07 102.50 3gaj h GLY 70 Ca 0.10 -0.24 0.06 0.00 0.00 0.00 0.00 47.33 47.25 3gaj h GLY 70 CO -0.00 0.17 -0.06 0.84 0.00 0.00 0.00 176.54 177.49 3gaj h HIS 71 N 0.63 -0.13 -0.36 5.60 6.17 -1.03 -0.93 115.15 125.10 3gaj h HIS 71 Ca 0.25 0.03 -0.10 0.00 0.71 0.00 0.00 60.37 61.26 3gaj h HIS 71 Cb 0.11 0.11 -0.02 0.00 2.52 0.00 0.00 27.41 30.13 3gaj h HIS 71 CO -0.08 -0.12 -0.17 -0.44 0.71 0.00 0.00 177.93 177.83 3gaj h ASP 72 N 0.02 0.66 0.28 3.26 5.19 -1.04 -2.42 116.42 122.37 3gaj h ASP 72 Ca 0.16 -0.21 -0.06 0.00 -0.62 0.00 0.00 57.03 56.30 3gaj h ASP 72 Cb 0.23 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 3gaj h ASP 72 CO -0.31 0.84 -0.29 -0.07 -3.12 0.00 0.00 179.24 176.29 3gaj h LEU 73 N 0.60 0.01 0.00 1.55 3.38 -0.73 -2.19 115.31 117.92 3gaj h LEU 73 Ca 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3gaj h LEU 73 Cb 0.63 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3gaj h LEU 73 CO 0.04 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.87 3gaj n ALA 74 N -2.48 2.52 -3.06 1.53 0.00 -0.40 -4.78 120.51 113.84 3gaj n ALA 74 Ca -0.02 -0.16 -0.38 0.00 0.00 0.00 0.00 53.44 52.89 3gaj n ALA 74 Cb 0.34 -1.49 -0.12 0.00 0.00 0.00 0.00 19.45 18.17 3gaj n ALA 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3gaj s THR 75 N -2.44 4.22 0.49 0.00 2.01 -0.82 -1.77 115.64 117.32 3gaj s THR 75 Ca 0.33 -0.56 -0.24 0.00 0.31 0.00 0.00 61.69 61.53 3gaj s THR 75 Cb 0.21 -3.16 -0.07 0.00 0.01 0.00 0.00 72.50 69.49 3gaj s THR 75 CO 0.44 0.09 1.35 -2.84 -0.69 0.00 0.00 174.62 172.97 3gaj s PRO 76 N 1.55 3.50 0.50 4.92 0.02 -1.26 -4.90 135.00 139.34 3gaj s PRO 76 Ca 0.04 2.23 0.20 0.00 0.02 0.00 0.00 61.00 63.49 3gaj s PRO 76 Cb -0.17 -2.47 1.30 0.00 0.02 0.00 0.00 34.50 33.18 3gaj s PRO 76 CO 0.04 -0.90 2.09 0.00 -0.33 0.00 0.00 177.00 177.90 3gaj h ALA 77 N 1.98 1.67 -0.67 -1.55 0.00 -1.94 -2.39 119.26 116.35 3gaj h ALA 77 Ca -0.51 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3gaj h ALA 77 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3gaj h ALA 77 CO 0.60 0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.56 3gaj n ASP 78 N -4.18 4.29 -4.66 0.00 5.68 -1.26 -4.92 116.55 111.51 3gaj n ASP 78 Ca -0.03 -2.24 -0.43 0.00 -0.50 0.00 0.00 54.79 51.60 3gaj n ASP 78 Cb 0.17 -0.53 -0.02 0.00 -1.14 0.00 0.00 41.12 39.60 3gaj n ASP 78 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3gaj s ASP 79 N -0.93 6.84 0.21 -1.12 -1.08 -0.90 -4.91 116.67 114.78 3gaj s ASP 79 Ca 0.49 1.85 0.05 0.00 -0.52 0.00 0.00 52.55 54.42 3gaj s ASP 79 Cb 0.29 -2.54 0.15 0.00 -1.46 0.00 0.00 42.92 39.36 3gaj s ASP 79 CO 0.28 -0.83 1.48 -0.33 0.52 0.00 0.00 175.17 176.30 3gaj h GLU 80 N 8.69 0.18 0.00 4.34 4.39 -1.91 -3.30 114.58 126.97 3gaj h GLU 80 Ca -0.31 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.24 3gaj h GLU 80 Cb 1.13 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3gaj h GLU 80 CO 0.97 0.83 -0.54 0.54 -1.16 0.00 0.00 179.01 179.64 3gaj n ARG 81 N -3.76 0.05 -4.16 2.33 5.12 -1.26 -4.85 116.66 110.12 3gaj n ARG 81 Ca -0.03 0.01 -0.19 0.00 -1.93 0.00 0.00 57.85 55.71 3gaj n ARG 81 Cb 0.70 -1.52 -0.16 0.00 -1.16 0.00 0.00 32.46 30.32 3gaj n ARG 81 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 3gaj s HIS 82 N -3.03 0.68 0.27 -1.55 3.76 -1.24 -5.11 115.29 109.06 3gaj s HIS 82 Ca 0.10 -0.17 0.08 0.00 -0.15 0.00 0.00 55.06 54.93 3gaj s HIS 82 Cb 0.17 -0.59 -0.04 0.00 1.11 0.00 0.00 32.58 33.23 3gaj s HIS 82 CO 0.71 -0.15 0.10 -1.12 -0.85 0.00 0.00 174.74 173.43 3gaj s SER 83 N 0.72 4.99 0.23 1.40 0.01 -1.26 -4.64 113.70 115.15 3gaj s SER 83 Ca -0.09 -0.48 -0.30 0.00 1.31 0.00 0.00 55.95 56.39 3gaj s SER 83 Cb -0.12 -1.08 -0.10 0.00 0.21 0.00 0.00 66.02 64.93 3gaj s SER 83 CO 0.00 -0.04 1.43 -0.36 0.41 0.00 0.00 173.24 174.67 3gaj s PHE 84 N -2.25 3.07 -0.05 2.43 0.08 -1.26 -4.94 117.98 115.06 3gaj s PHE 84 Ca 0.33 1.03 0.12 0.00 0.12 0.00 0.00 56.93 58.53 3gaj s PHE 84 Cb -0.07 -3.79 -0.19 0.00 -0.57 0.00 0.00 43.02 38.40 3gaj s PHE 84 CO 0.22 -2.58 0.29 0.36 -0.10 0.00 0.00 175.22 173.41 3gaj n LYS 85 N 2.55 0.52 -2.89 0.44 2.85 -1.26 -5.00 118.16 115.36 3gaj n LYS 85 Ca 0.07 -0.11 -0.41 0.00 -1.05 0.00 0.00 58.31 56.81 3gaj n LYS 85 Cb 0.41 -1.28 -0.04 0.00 -0.65 0.00 0.00 35.03 33.46 3gaj n LYS 85 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 3gaj s PHE 86 N -2.83 3.43 -0.17 5.58 5.36 -1.26 -5.03 117.98 123.06 3gaj s PHE 86 Ca -0.04 1.27 0.00 0.00 -0.96 0.00 0.00 56.93 57.20 3gaj s PHE 86 Cb 0.08 -3.01 0.01 0.00 -0.34 0.00 0.00 43.02 39.76 3gaj s PHE 86 CO 0.52 -0.22 -0.17 0.15 -1.46 0.00 0.00 175.22 174.04 3gaj s LYS 87 N 2.08 3.12 0.33 10.12 1.02 -1.26 -4.84 119.74 130.32 3gaj s LYS 87 Ca 0.39 -0.78 0.13 0.00 0.02 0.00 0.00 55.97 55.72 3gaj s LYS 87 Cb -0.17 -2.63 0.58 0.00 -0.52 0.00 0.00 37.83 35.10 3gaj s LYS 87 CO 0.13 -0.11 1.73 -0.56 -0.92 0.00 0.00 175.35 175.62 3gaj h GLN 88 N 7.67 0.00 0.27 1.68 -0.00 -1.96 -3.39 115.11 119.38 3gaj h GLN 88 Ca -0.39 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.27 3gaj h GLN 88 Cb 1.17 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.62 3gaj h GLN 88 CO 0.60 0.47 -0.35 1.49 -0.00 0.00 0.00 178.83 181.04 3gaj h GLU 89 N 0.00 -0.65 0.06 0.06 4.81 -1.96 0.10 114.58 117.00 3gaj h GLU 89 Ca -0.00 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3gaj h GLU 89 Cb 0.86 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3gaj h GLU 89 CO 0.06 -0.43 -0.03 0.37 -0.73 0.00 0.00 179.01 178.25 3gaj h GLN 90 N -0.67 -0.07 -0.30 1.92 -0.00 -2.00 -1.26 115.11 112.72 3gaj h GLN 90 Ca -0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 3gaj h GLN 90 Cb 0.64 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.12 3gaj h GLN 90 CO -0.11 0.25 0.10 -1.35 0.00 0.00 0.00 178.83 177.72 3gaj h PRO 91 N -0.40 0.42 -0.17 -2.39 0.11 -1.76 -1.39 132.00 126.43 3gaj h PRO 91 Ca -0.01 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 65.83 3gaj h PRO 91 Cb 0.35 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.39 3gaj h PRO 91 CO 0.01 0.37 -0.76 1.15 -0.21 0.00 0.00 178.00 178.57 3gaj h THR 92 N 0.42 1.28 -0.75 -1.15 2.02 -0.89 -1.11 112.91 112.74 3gaj h THR 92 Ca 0.10 -1.95 -0.03 0.00 0.77 0.00 0.00 66.41 65.30 3gaj h THR 92 Cb 0.12 1.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 3gaj h THR 92 CO -0.01 0.62 0.34 0.58 0.37 0.00 0.00 175.52 177.42 3gaj h VAL 93 N 0.55 1.24 -0.37 3.16 2.07 -1.07 -0.14 116.25 121.70 3gaj h VAL 93 Ca -0.05 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 3gaj h VAL 93 Cb 1.39 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3gaj h VAL 93 CO 0.16 0.30 0.22 -0.25 0.02 0.00 0.00 177.57 178.01 3gaj h TRP 94 N 1.07 0.48 -0.62 1.57 7.01 -1.07 -0.38 115.95 124.02 3gaj h TRP 94 Ca 0.26 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.26 3gaj h TRP 94 Cb 0.14 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.01 3gaj h TRP 94 CO 0.01 0.35 0.40 -0.07 -2.79 0.00 0.00 178.44 176.35 3gaj h LEU 95 N 0.48 0.71 -1.01 0.65 3.38 -0.77 -2.61 115.31 116.14 3gaj h LEU 95 Ca 0.13 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3gaj h LEU 95 Cb 0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3gaj h LEU 95 CO -0.02 0.52 0.09 -0.33 0.09 0.00 0.00 178.44 178.79 3gaj h GLU 96 N 0.84 0.81 -0.66 1.13 5.08 -0.53 0.71 114.58 121.94 3gaj h GLU 96 Ca 0.23 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3gaj h GLU 96 Cb -0.09 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 3gaj h GLU 96 CO -0.05 0.75 0.29 0.93 -1.00 0.00 0.00 179.01 179.93 3gaj h GLU 97 N 0.77 0.98 -0.31 2.33 5.08 -0.91 0.73 114.58 123.25 3gaj h GLU 97 Ca 0.16 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3gaj h GLU 97 Cb 0.34 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3gaj h GLU 97 CO 0.00 0.80 -0.00 0.87 -1.00 0.00 0.00 179.01 179.68 3gaj h LYS 98 N 0.93 0.54 -0.45 2.33 1.57 -1.04 -1.19 116.57 119.27 3gaj h LYS 98 Ca 0.22 -0.17 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 3gaj h LYS 98 Cb 0.16 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 3gaj h LYS 98 CO -0.02 0.68 0.13 0.82 -0.57 0.00 0.00 179.45 180.49 3gaj h ILE 99 N 0.34 0.82 -0.22 1.86 2.04 -0.65 0.50 117.51 122.19 3gaj h ILE 99 Ca 0.09 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.86 3gaj h ILE 99 Cb 0.44 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3gaj h ILE 99 CO 0.02 0.05 0.11 0.44 0.00 0.00 0.00 178.15 178.76 3gaj h ASP 100 N 0.28 0.16 -0.56 1.72 3.32 -0.71 0.49 116.42 121.11 3gaj h ASP 100 Ca 0.21 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 3gaj h ASP 100 Cb 0.24 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3gaj h ASP 100 CO -0.24 0.12 0.11 0.78 -1.72 0.00 0.00 179.24 178.29 3gaj h ASN 101 N 0.23 0.87 0.36 6.45 2.35 -0.79 -1.43 115.58 123.63 3gaj h ASN 101 Ca 0.09 -0.25 -0.19 0.00 -0.55 0.00 0.00 56.30 55.40 3gaj h ASN 101 Cb 0.03 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 3gaj h ASN 101 CO -0.07 0.89 -0.81 1.88 -1.65 0.00 0.00 177.43 177.68 3gaj h TYR 102 N 0.81 0.48 -0.70 1.19 0.05 -0.82 -2.73 116.97 115.25 3gaj h TYR 102 Ca 0.17 -0.24 -0.07 0.00 0.05 0.00 0.00 58.73 58.65 3gaj h TYR 102 Cb 0.38 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.03 3gaj h TYR 102 CO 0.03 1.01 0.17 1.15 -1.05 0.00 0.00 178.16 179.47 3gaj h THR 103 N 0.22 1.26 -0.62 -2.88 2.02 -0.77 -3.01 112.91 109.13 3gaj h THR 103 Ca -0.04 -0.97 -0.09 0.00 0.77 0.00 0.00 66.41 66.07 3gaj h THR 103 Cb 1.40 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 3gaj h THR 103 CO 0.13 0.37 0.03 1.56 0.37 0.00 0.00 175.52 177.98 3gaj h GLN 104 N 1.05 1.07 0.00 6.66 4.20 -1.22 -3.30 115.11 123.57 3gaj h GLN 104 Ca 0.22 -0.32 -0.20 0.00 0.06 0.00 0.00 58.65 58.41 3gaj h GLN 104 Cb 0.37 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 3gaj h GLN 104 CO 0.00 1.02 -1.06 -0.24 -0.67 0.00 0.00 178.83 177.89 3gaj h VAL 105 N 0.98 1.25 -4.25 -0.54 3.04 -1.44 -3.46 116.25 111.82 3gaj h VAL 105 Ca 0.18 -2.88 -0.50 0.00 -1.01 0.00 0.00 66.70 62.48 3gaj h VAL 105 Cb 0.53 2.59 0.06 0.00 -2.01 0.00 0.00 31.29 32.46 3gaj h VAL 105 CO 0.03 0.71 0.37 0.68 -1.01 0.00 0.00 177.57 178.34 3gaj s VAL 106 N -2.77 4.45 0.27 1.51 -7.23 -1.14 -4.99 120.40 110.50 3gaj s VAL 106 Ca 0.00 0.67 -0.31 0.00 -1.81 0.00 0.00 61.98 60.54 3gaj s VAL 106 Cb 0.09 -3.78 -0.12 0.00 0.56 0.00 0.00 36.38 33.14 3gaj s VAL 106 CO 0.80 -0.98 1.64 -2.84 -0.31 0.00 0.00 175.10 173.42 3gaj s PRO 107 N -5.15 4.11 0.36 4.82 0.02 -1.26 -4.95 135.00 132.96 3gaj s PRO 107 Ca 0.55 2.61 -0.27 0.00 0.02 0.00 0.00 61.00 63.90 3gaj s PRO 107 Cb -0.11 -3.03 -0.10 0.00 0.02 0.00 0.00 34.50 31.28 3gaj s PRO 107 CO 0.52 -0.68 1.27 0.00 -0.33 0.00 0.00 177.00 177.78 3gaj s ALA 108 N 0.36 3.37 0.03 -1.55 0.00 -1.26 -5.06 121.76 117.66 3gaj s ALA 108 Ca 0.67 1.19 -0.00 0.00 0.00 0.00 0.00 51.96 53.82 3gaj s ALA 108 Cb -0.49 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.15 3gaj s ALA 108 CO 0.43 -0.64 -0.03 0.14 0.00 0.00 0.00 175.76 175.65 3gaj s VAL 109 N -1.22 0.17 -0.26 0.00 -7.23 -1.26 -5.04 120.40 105.57 3gaj s VAL 109 Ca 0.52 -1.11 0.05 0.00 -1.81 0.00 0.00 61.98 59.63 3gaj s VAL 109 Cb -0.37 -0.55 -0.05 0.00 0.56 0.00 0.00 36.38 35.97 3gaj s VAL 109 CO 0.49 -0.59 0.24 2.29 -0.31 0.00 0.00 175.10 177.21 3gaj n LYS 110 N 1.28 5.01 -3.82 4.82 0.00 -1.26 -5.02 118.16 119.16 3gaj n LYS 110 Ca -0.22 -0.06 -0.29 0.00 -0.00 0.00 0.00 58.31 57.75 3gaj n LYS 110 Cb 0.56 -0.76 -0.04 0.00 -0.00 0.00 0.00 35.03 34.80 3gaj n LYS 110 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3gaj s LYS 111 N -1.39 3.49 0.37 -1.58 1.02 -1.26 -5.06 119.74 115.32 3gaj s LYS 111 Ca 0.02 -0.40 -0.28 0.00 0.02 0.00 0.00 55.97 55.33 3gaj s LYS 111 Cb 0.04 -2.93 -0.10 0.00 -0.52 0.00 0.00 37.83 34.31 3gaj s LYS 111 CO 0.19 0.50 1.37 -0.06 -0.92 0.00 0.00 175.35 176.44 3gaj s PHE 112 N -1.70 2.82 -0.12 3.18 0.08 -1.26 -4.89 117.98 116.09 3gaj s PHE 112 Ca 0.37 1.32 -0.07 0.00 0.12 0.00 0.00 56.93 58.67 3gaj s PHE 112 Cb -0.12 -3.81 -0.04 0.00 -0.57 0.00 0.00 43.02 38.49 3gaj s PHE 112 CO 0.28 -2.33 0.13 0.96 -0.10 0.00 0.00 175.22 174.16 3gaj s ILE 113 N -1.16 5.43 0.22 0.64 -4.36 -1.26 -0.72 121.20 120.00 3gaj s ILE 113 Ca 0.52 0.18 -0.30 0.00 -0.26 0.00 0.00 60.65 60.80 3gaj s ILE 113 Cb -0.42 -3.37 -0.08 0.00 1.25 0.00 0.00 42.46 39.84 3gaj s ILE 113 CO 0.56 0.61 1.08 -0.76 0.24 0.00 0.00 174.94 176.67 3gaj s LEU 114 N -0.97 4.53 -0.09 0.37 1.43 0.28 -4.82 118.68 119.41 3gaj s LEU 114 Ca 0.15 2.14 -0.30 0.00 -1.03 0.00 0.00 54.13 55.09 3gaj s LEU 114 Cb -0.12 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 3gaj s LEU 114 CO 0.04 -0.15 1.46 -2.16 0.23 0.00 0.00 176.35 175.77 3gaj s PRO 115 N -0.83 4.21 0.00 1.29 0.04 -1.26 -4.55 135.00 133.90 3gaj s PRO 115 Ca 0.47 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.45 3gaj s PRO 115 Cb -0.30 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.39 3gaj s PRO 115 CO 0.37 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 177.06 3gaj n GLY 116 N 3.86 -0.93 0.00 0.56 0.00 -1.26 -4.99 105.19 102.42 3gaj n GLY 116 Ca 0.15 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3gaj n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gaj n GLY 117 N 0.00 0.17 3.70 -0.02 0.00 -1.26 -4.40 105.19 103.38 3gaj n GLY 117 Ca 0.00 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 3gaj n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gaj s THR 118 N 0.00 2.50 0.22 2.61 -4.23 -1.26 -4.76 115.64 110.72 3gaj s THR 118 Ca 0.00 0.16 -0.09 0.00 -1.18 0.00 0.00 61.69 60.58 3gaj s THR 118 Cb 0.00 -2.63 0.19 0.00 1.34 0.00 0.00 72.50 71.40 3gaj s THR 118 CO 0.00 -0.21 1.89 -0.61 -0.54 0.00 0.00 174.62 175.15 3gaj h GLN 119 N -1.66 1.09 -0.24 3.99 4.15 -1.97 -0.01 115.11 120.45 3gaj h GLN 119 Ca -0.51 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 58.78 3gaj h GLN 119 Cb 1.29 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 3gaj h GLN 119 CO 0.55 0.73 -0.09 1.25 -1.93 0.00 0.00 178.83 179.34 3gaj h LEU 120 N 1.12 0.50 -0.84 -2.39 5.85 -1.91 -0.54 115.31 117.10 3gaj h LEU 120 Ca 0.30 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3gaj h LEU 120 Cb -0.12 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 3gaj h LEU 120 CO -0.06 0.78 0.51 0.00 -0.34 0.00 0.00 178.44 179.33 3gaj h ALA 121 N 0.74 1.08 -0.56 1.25 0.00 -1.78 0.05 119.26 120.03 3gaj h ALA 121 Ca 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3gaj h ALA 121 Cb 0.58 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3gaj h ALA 121 CO 0.03 0.54 0.19 0.77 0.00 0.00 0.00 179.25 180.78 3gaj h SER 122 N 1.16 0.81 -0.32 0.00 0.02 -0.88 -1.17 113.55 113.15 3gaj h SER 122 Ca 0.30 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 3gaj h SER 122 Cb -0.04 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 3gaj h SER 122 CO -0.06 0.78 0.09 0.00 -1.14 0.00 0.00 176.83 176.51 3gaj h ALA 123 N 1.05 1.42 -0.16 3.77 0.00 -0.54 -0.81 119.26 123.98 3gaj h ALA 123 Ca 0.18 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3gaj h ALA 123 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3gaj h ALA 123 CO -0.01 0.42 -0.40 -0.07 0.00 0.00 0.00 179.25 179.19 3gaj h LEU 124 N 0.58 0.37 -0.79 0.00 3.38 -0.47 0.00 115.31 118.38 3gaj h LEU 124 Ca 0.13 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3gaj h LEU 124 Cb 0.23 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3gaj h LEU 124 CO -0.00 0.74 -0.15 0.45 0.09 0.00 0.00 178.44 179.56 3gaj h HIS 125 N 0.30 0.83 -0.54 1.13 3.86 -0.67 -0.02 115.15 120.04 3gaj h HIS 125 Ca 0.03 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 3gaj h HIS 125 Cb 0.84 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 29.08 3gaj h HIS 125 CO 0.02 0.85 0.30 0.28 0.86 0.00 0.00 177.93 180.25 3gaj h VAL 126 N 0.67 1.18 -0.81 2.45 2.07 -0.79 -1.90 116.25 119.12 3gaj h VAL 126 Ca 0.11 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.24 3gaj h VAL 126 Cb 0.64 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 3gaj h VAL 126 CO 0.04 0.19 0.50 0.00 0.02 0.00 0.00 177.57 178.33 3gaj h ALA 127 N 1.14 1.10 -0.44 1.67 0.00 -0.70 -0.30 119.26 121.73 3gaj h ALA 127 Ca 0.19 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.16 3gaj h ALA 127 Cb 0.04 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 3gaj h ALA 127 CO -0.03 0.26 0.05 -0.09 0.00 0.00 0.00 179.25 179.45 3gaj h ARG 128 N 0.94 0.17 0.01 0.00 2.43 -0.59 0.65 114.38 117.99 3gaj h ARG 128 Ca 0.35 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.31 3gaj h ARG 128 Cb 0.12 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3gaj h ARG 128 CO -0.15 0.11 -0.90 1.79 -1.51 0.00 0.00 179.97 179.30 3gaj h THR 129 N 0.17 1.56 -0.30 0.20 1.35 -0.68 -2.08 112.91 113.14 3gaj h THR 129 Ca 0.22 -2.83 -0.15 0.00 -0.55 0.00 0.00 66.41 63.10 3gaj h THR 129 Cb 0.29 2.57 -0.01 0.00 -1.73 0.00 0.00 68.15 69.28 3gaj h THR 129 CO -0.31 0.82 -0.41 0.40 -0.25 0.00 0.00 175.52 175.77 3gaj h ILE 130 N 0.05 1.29 -0.68 6.82 2.04 -0.86 -1.20 117.51 124.97 3gaj h ILE 130 Ca -0.03 -1.59 0.05 0.00 1.00 0.00 0.00 64.86 64.29 3gaj h ILE 130 Cb 1.56 1.50 -0.05 0.00 -0.74 0.00 0.00 36.82 39.09 3gaj h ILE 130 CO 0.13 0.51 0.39 0.74 0.00 0.00 0.00 178.15 179.93 3gaj h THR 131 N 0.59 1.00 -0.21 -0.27 2.02 -0.74 0.12 112.91 115.41 3gaj h THR 131 Ca 0.05 -0.25 -0.11 0.00 0.77 0.00 0.00 66.41 66.86 3gaj h THR 131 Cb 0.95 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3gaj h THR 131 CO 0.09 0.13 -0.36 0.03 0.37 0.00 0.00 175.52 175.79 3gaj h ARG 132 N 0.74 0.46 -0.26 6.66 3.08 -1.11 0.12 114.38 124.06 3gaj h ARG 132 Ca 0.30 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3gaj h ARG 132 Cb 0.15 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3gaj h ARG 132 CO -0.16 0.76 0.05 -0.09 -1.07 0.00 0.00 179.97 179.45 3gaj h ARG 133 N 0.39 0.42 -0.73 0.04 2.43 -0.65 -1.67 114.38 114.61 3gaj h ARG 133 Ca 0.04 -0.11 0.06 0.00 -0.81 0.00 0.00 59.98 59.17 3gaj h ARG 133 Cb 0.81 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.25 3gaj h ARG 133 CO 0.07 0.53 0.42 0.00 -1.51 0.00 0.00 179.97 179.48 3gaj h ALA 134 N 0.87 1.00 -0.75 2.80 0.00 -0.64 -2.13 119.26 120.41 3gaj h ALA 134 Ca 0.08 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3gaj h ALA 134 Cb 0.30 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3gaj h ALA 134 CO 0.00 0.11 0.44 1.49 0.00 0.00 0.00 179.25 181.30 3gaj h GLU 135 N 0.77 0.79 -1.00 0.00 4.81 -0.51 -0.05 114.58 119.39 3gaj h GLU 135 Ca 0.33 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 3gaj h GLU 135 Cb 0.20 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 3gaj h GLU 135 CO -0.19 0.52 0.66 0.00 -0.73 0.00 0.00 179.01 179.27 3gaj h ARG 136 N 0.81 1.30 -0.00 1.92 3.08 -0.66 -0.92 114.38 119.90 3gaj h ARG 136 Ca 0.33 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 60.16 3gaj h ARG 136 Cb 0.18 -0.29 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3gaj h ARG 136 CO -0.18 0.86 -0.66 0.37 -1.07 0.00 0.00 179.97 179.29 3gaj h GLN 137 N 1.34 0.02 -0.61 0.04 5.75 -0.85 -1.07 115.11 119.72 3gaj h GLN 137 Ca 0.37 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.76 3gaj h GLN 137 Cb -0.13 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.40 3gaj h GLN 137 CO -0.09 0.68 0.02 0.82 -2.65 0.00 0.00 178.83 177.61 3gaj h ILE 138 N 0.01 1.27 -0.50 2.39 2.04 -0.54 -1.69 117.51 120.49 3gaj h ILE 138 Ca -0.01 -1.13 -0.09 0.00 1.00 0.00 0.00 64.86 64.63 3gaj h ILE 138 Cb 1.18 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 3gaj h ILE 138 CO 0.09 0.41 -0.06 0.58 0.00 0.00 0.00 178.15 179.17 3gaj h VAL 139 N 0.97 1.26 -0.52 1.67 2.07 -0.89 0.37 116.25 121.18 3gaj h VAL 139 Ca 0.18 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.56 3gaj h VAL 139 Cb 0.54 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3gaj h VAL 139 CO 0.03 0.40 0.34 -0.61 0.02 0.00 0.00 177.57 177.74 3gaj h GLN 140 N 0.80 0.67 -0.26 1.57 4.15 -1.00 -1.84 115.11 119.20 3gaj h GLN 140 Ca 0.14 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 3gaj h GLN 140 Cb 0.56 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 3gaj h GLN 140 CO 0.03 0.44 0.16 1.25 -1.93 0.00 0.00 178.83 178.78 3gaj h LEU 141 N 0.69 0.32 -1.79 -2.39 5.85 -0.91 -2.91 115.31 114.16 3gaj h LEU 141 Ca 0.19 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3gaj h LEU 141 Cb -0.07 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3gaj h LEU 141 CO -0.05 0.27 0.25 -0.03 -0.34 0.00 0.00 178.44 178.54 3gaj h MET 142 N 0.33 0.25 0.00 1.25 4.05 -0.54 0.41 114.93 120.68 3gaj h MET 142 Ca 0.09 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 3gaj h MET 142 Cb 0.01 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 3gaj h MET 142 CO -0.02 0.17 0.00 0.54 0.23 0.00 0.00 176.91 177.83 3gaj n ARG 143 N -4.48 0.18 -0.03 0.39 1.74 -0.72 -3.60 116.66 110.14 3gaj n ARG 143 Ca 0.05 0.34 -0.01 0.00 -0.77 0.00 0.00 57.85 57.45 3gaj n ARG 143 Cb 0.26 -1.80 -0.06 0.00 -1.02 0.00 0.00 32.46 29.84 3gaj n ARG 143 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3gaj n GLU 144 N -2.12 2.05 -3.99 5.56 1.02 -0.24 -5.07 120.64 117.85 3gaj n GLU 144 Ca 0.03 -0.02 -0.09 0.00 -0.02 0.00 0.00 57.16 57.06 3gaj n GLU 144 Cb 0.27 -1.18 -0.10 0.00 -0.02 0.00 0.00 31.44 30.40 3gaj n GLU 144 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3gaj s GLU 145 N -2.28 0.43 0.02 3.49 0.41 -0.03 -5.12 118.70 115.61 3gaj s GLU 145 Ca -0.03 -0.77 -0.30 0.00 -0.41 0.00 0.00 54.97 53.46 3gaj s GLU 145 Cb 0.03 0.16 -0.06 0.00 -1.78 0.00 0.00 34.13 32.48 3gaj s GLU 145 CO 0.30 -0.08 1.35 -0.65 -0.49 0.00 0.00 175.26 175.69 3gaj s GLN 146 N -2.20 4.31 0.38 1.61 -0.21 -1.26 -4.20 119.66 118.08 3gaj s GLN 146 Ca -0.09 1.93 0.06 0.00 0.02 0.00 0.00 55.36 57.28 3gaj s GLN 146 Cb -0.04 -3.49 -0.07 0.00 1.00 0.00 0.00 33.01 30.41 3gaj s GLN 146 CO -0.04 -0.50 0.02 0.96 -2.12 0.00 0.00 175.29 173.61 3gaj s ILE 147 N 1.99 1.76 -0.68 1.08 -4.36 -1.26 -4.14 121.20 115.59 3gaj s ILE 147 Ca 0.62 -2.02 -0.27 0.00 -0.26 0.00 0.00 60.65 58.72 3gaj s ILE 147 Cb -0.31 -2.90 0.02 0.00 1.25 0.00 0.00 42.46 40.52 3gaj s ILE 147 CO 0.27 -0.02 1.32 0.21 0.24 0.00 0.00 174.94 176.95 3gaj s ASN 148 N -3.63 6.15 0.48 4.36 2.47 -1.26 -4.86 114.94 118.65 3gaj s ASN 148 Ca 0.35 -0.22 0.33 0.00 0.42 0.00 0.00 52.86 53.74 3gaj s ASN 148 Cb 0.09 -2.56 1.63 0.00 -1.45 0.00 0.00 41.25 38.97 3gaj s ASN 148 CO 0.17 -1.80 1.99 1.56 -3.72 0.00 0.00 177.10 175.30 3gaj h GLN 149 N 10.37 0.00 -0.28 0.43 1.08 -1.97 -1.54 115.11 123.20 3gaj h GLN 149 Ca -0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 3gaj h GLN 149 Cb 1.06 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.48 3gaj h GLN 149 CO 1.25 0.00 0.17 -0.44 -0.95 0.00 0.00 178.83 178.86 3gaj h ASP 150 N 0.00 0.32 -0.60 1.46 5.19 -1.89 -1.72 116.42 119.19 3gaj h ASP 150 Ca 0.00 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.34 3gaj h ASP 150 Cb 0.16 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.56 3gaj h ASP 150 CO 0.00 0.25 0.15 0.58 -3.12 0.00 0.00 179.24 177.09 3gaj h VAL 151 N 0.38 1.25 -0.42 -1.35 2.07 -1.60 -1.88 116.25 114.70 3gaj h VAL 151 Ca 0.10 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 3gaj h VAL 151 Cb -0.02 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3gaj h VAL 151 CO -0.02 0.34 0.13 0.25 0.02 0.00 0.00 177.57 178.29 3gaj h LEU 152 N 0.87 0.61 -0.19 2.57 5.85 -1.47 -0.02 115.31 123.53 3gaj h LEU 152 Ca 0.19 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3gaj h LEU 152 Cb 0.35 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3gaj h LEU 152 CO 0.00 0.65 -0.06 0.40 -0.34 0.00 0.00 178.44 179.10 3gaj h ILE 153 N 0.54 0.79 -0.34 4.05 2.04 -1.18 -0.28 117.51 123.13 3gaj h ILE 153 Ca 0.14 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 3gaj h ILE 153 Cb 0.26 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3gaj h ILE 153 CO -0.00 0.00 0.12 0.15 0.00 0.00 0.00 178.15 178.42 3gaj h PHE 154 N -0.01 0.52 -0.62 1.37 3.57 -1.12 -1.66 116.94 118.99 3gaj h PHE 154 Ca 0.09 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 3gaj h PHE 154 Cb 0.15 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 3gaj h PHE 154 CO -0.22 0.50 0.15 0.82 -2.23 0.00 0.00 178.31 177.34 3gaj h ILE 155 N 0.39 1.24 0.11 1.41 1.08 -0.83 0.20 117.51 121.12 3gaj h ILE 155 Ca 0.11 -0.89 0.01 0.00 -0.39 0.00 0.00 64.86 63.70 3gaj h ILE 155 Cb 0.21 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 3gaj h ILE 155 CO -0.01 0.34 -0.14 -1.13 -0.69 0.00 0.00 178.15 176.52 3gaj h ASN 156 N 0.92 -0.39 -0.07 1.72 -1.24 -0.87 -2.80 115.58 112.85 3gaj h ASN 156 Ca 0.20 0.04 -0.06 0.00 0.71 0.00 0.00 56.30 57.19 3gaj h ASN 156 Cb 0.33 0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 3gaj h ASN 156 CO 0.00 -0.21 -0.10 -0.09 -1.29 0.00 0.00 177.43 175.74 3gaj h ARG 157 N -0.30 0.37 -0.42 6.67 9.65 -0.81 -2.85 114.38 126.69 3gaj h ARG 157 Ca 0.01 -0.09 -0.02 0.00 -1.10 0.00 0.00 59.98 58.78 3gaj h ARG 157 Cb 0.30 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 3gaj h ARG 157 CO -0.06 0.48 0.17 1.25 2.80 0.00 0.00 179.97 184.61 3gaj h LEU 158 N 0.35 0.53 -0.97 3.80 5.85 -0.35 -1.09 115.31 123.42 3gaj h LEU 158 Ca 0.07 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 3gaj h LEU 158 Cb 0.40 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3gaj h LEU 158 CO 0.02 0.48 -0.39 0.77 -0.34 0.00 0.00 178.44 178.98 3gaj h SER 159 N 0.59 0.00 -0.44 1.25 4.64 -1.38 -0.56 113.55 117.65 3gaj h SER 159 Ca 0.15 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.32 3gaj h SER 159 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3gaj h SER 159 CO -0.02 0.39 -0.30 0.44 -0.87 0.00 0.00 176.83 176.48 3gaj h ASP 160 N 0.00 1.02 -0.46 4.97 3.32 -1.36 -2.08 116.42 121.83 3gaj h ASP 160 Ca -0.00 -0.43 0.07 0.00 0.02 0.00 0.00 57.03 56.68 3gaj h ASP 160 Cb 0.88 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.09 3gaj h ASP 160 CO 0.05 1.23 0.14 0.22 -1.72 0.00 0.00 179.24 179.17 3gaj h TYR 161 N 0.82 0.25 -0.28 4.55 3.20 -0.67 -0.80 116.97 124.04 3gaj h TYR 161 Ca 0.09 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 3gaj h TYR 161 Cb 0.89 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 3gaj h TYR 161 CO 0.06 0.07 -0.20 0.74 -1.64 0.00 0.00 178.16 177.19 3gaj h PHE 162 N 0.30 0.56 -0.01 -3.82 0.04 -0.96 0.24 116.94 113.28 3gaj h PHE 162 Ca 0.22 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.89 3gaj h PHE 162 Cb 0.24 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.25 3gaj h PHE 162 CO -0.17 0.68 0.00 0.35 -0.60 0.00 0.00 178.31 178.57 3gaj h PHE 163 N 0.45 0.01 -0.58 -0.55 3.57 -1.00 -0.46 116.94 118.39 3gaj h PHE 163 Ca 0.07 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 3gaj h PHE 163 Cb 0.61 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3gaj h PHE 163 CO 0.02 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 176.11 3gaj h ALA 164 N 1.01 0.91 -0.22 2.41 0.00 -0.57 -2.12 119.26 120.68 3gaj h ALA 164 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 3gaj h ALA 164 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3gaj h ALA 164 CO -0.00 0.65 -0.34 0.00 0.00 0.00 0.00 179.25 179.56 3gaj h ALA 165 N 1.07 1.02 -0.40 0.00 0.00 -0.48 -1.26 119.26 119.22 3gaj h ALA 165 Ca 0.17 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3gaj h ALA 165 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3gaj h ALA 165 CO 0.03 0.59 0.04 0.00 0.00 0.00 0.00 179.25 179.91 3gaj h ALA 166 N 1.26 0.53 -0.70 0.00 0.00 -0.67 0.27 119.26 119.95 3gaj h ALA 166 Ca 0.05 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3gaj h ALA 166 Cb 0.78 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3gaj h ALA 166 CO 0.06 0.27 0.20 0.00 0.00 0.00 0.00 179.25 179.77 3gaj h ARG 167 N 0.51 1.09 -0.77 0.00 3.08 -1.23 -2.00 114.38 115.06 3gaj h ARG 167 Ca 0.12 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 3gaj h ARG 167 Cb 0.40 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3gaj h ARG 167 CO 0.01 0.95 0.31 -0.92 -1.07 0.00 0.00 179.97 179.25 3gaj h TYR 168 N 1.05 1.18 -0.88 3.04 3.20 -0.78 -0.94 116.97 122.84 3gaj h TYR 168 Ca 0.22 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3gaj h TYR 168 Cb 0.32 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 3gaj h TYR 168 CO 0.03 0.90 0.46 0.00 -1.64 0.00 0.00 178.16 177.90 3gaj h ALA 169 N 1.16 1.13 -0.44 1.82 0.00 -0.07 0.90 119.26 123.76 3gaj h ALA 169 Ca 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3gaj h ALA 169 Cb 0.22 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3gaj h ALA 169 CO -0.02 0.65 0.20 -0.91 0.00 0.00 0.00 179.25 179.17 3gaj h ASN 170 N 1.24 0.59 -0.71 0.00 2.35 -0.98 -2.78 115.58 115.28 3gaj h ASN 170 Ca 0.31 -0.14 0.08 0.00 -0.55 0.00 0.00 56.30 56.00 3gaj h ASN 170 Cb 0.06 -0.15 -0.07 0.00 0.05 0.00 0.00 38.32 38.21 3gaj h ASN 170 CO -0.05 0.56 0.37 0.22 -1.65 0.00 0.00 177.43 176.88 3gaj h TYR 171 N 0.57 0.66 0.00 1.19 3.20 -0.44 -0.26 116.97 121.89 3gaj h TYR 171 Ca 0.15 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 3gaj h TYR 171 Cb 0.14 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 3gaj h TYR 171 CO -0.01 0.26 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.66 3gaj h LEU 172 N 0.64 0.00 -2.46 2.82 3.38 -0.57 -1.00 115.31 118.12 3gaj h LEU 172 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3gaj h LEU 172 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3gaj h LEU 172 CO -0.24 0.05 0.00 -0.62 0.09 0.00 0.00 178.44 177.72 3gaj n GLU 173 N -3.54 2.26 -3.75 1.13 1.02 -0.76 -4.89 120.64 112.11 3gaj n GLU 173 Ca -0.02 -1.91 -0.28 0.00 -0.02 0.00 0.00 57.16 54.93 3gaj n GLU 173 Cb 0.16 -1.30 0.04 0.00 -0.02 0.00 0.00 31.44 30.31 3gaj n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3gaj n GLN 174 N 0.73 -6.07 -3.41 3.49 6.02 -0.27 -4.97 117.38 112.90 3gaj n GLN 174 Ca 0.12 0.67 -0.39 0.00 -0.01 0.00 0.00 57.00 57.40 3gaj n GLN 174 Cb 0.42 -5.61 -0.09 0.00 1.02 0.00 0.00 30.24 25.99 3gaj n GLN 174 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 3gaj s GLN 175 N -6.46 4.05 0.43 -1.09 2.00 -0.28 -5.01 119.66 113.30 3gaj s GLN 175 Ca 0.61 0.04 -0.25 0.00 -2.00 0.00 0.00 55.36 53.77 3gaj s GLN 175 Cb -0.30 -3.62 -0.08 0.00 0.80 0.00 0.00 33.01 29.81 3gaj s GLN 175 CO 0.76 -0.20 1.22 -1.25 -0.50 0.00 0.00 175.29 175.31 3gaj s PRO 176 N 1.84 3.89 0.36 1.67 0.04 -1.26 -4.28 135.00 137.25 3gaj s PRO 176 Ca 0.15 1.93 -0.27 0.00 0.04 0.00 0.00 61.00 62.86 3gaj s PRO 176 Cb -0.15 -2.60 -0.09 0.00 0.04 0.00 0.00 34.50 31.70 3gaj s PRO 176 CO 0.09 -0.49 1.15 -0.51 0.04 0.00 0.00 177.00 177.28 3gaj s ASP 177 N -1.07 6.78 -0.10 6.66 1.01 -1.26 -4.88 116.67 123.81 3gaj s ASP 177 Ca 0.60 2.32 -0.07 0.00 0.71 0.00 0.00 52.55 56.11 3gaj s ASP 177 Cb -0.33 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 40.94 3gaj s ASP 177 CO 0.41 -0.49 0.16 -0.04 0.21 0.00 0.00 175.17 175.42 3gaj s MET 178 N -2.04 3.46 0.01 8.23 -1.94 -1.26 -5.02 119.30 120.74 3gaj s MET 178 Ca 0.53 -0.13 -0.04 0.00 -1.71 0.00 0.00 55.69 54.34 3gaj s MET 178 Cb -0.31 -3.18 -0.04 0.00 2.01 0.00 0.00 34.83 33.31 3gaj s MET 178 CO 0.39 0.76 0.22 -0.51 -0.01 0.00 0.00 175.02 175.88 3gaj s LEU 179 N -1.15 4.36 0.32 -0.03 2.01 -1.26 -0.56 118.68 122.38 3gaj s LEU 179 Ca 0.17 0.43 -0.29 0.00 0.01 0.00 0.00 54.13 54.45 3gaj s LEU 179 Cb -0.12 -2.69 -0.11 0.00 0.01 0.00 0.00 46.19 43.28 3gaj s LEU 179 CO 0.06 0.24 1.44 -0.72 1.01 0.00 0.00 176.35 178.39 3gaj s TYR 180 N -1.35 2.83 -2.07 0.29 1.13 0.10 -4.72 117.35 113.58 3gaj s TYR 180 Ca 0.29 1.15 0.31 0.00 -1.41 0.00 0.00 57.07 57.41 3gaj s TYR 180 Cb -0.13 -3.89 1.79 0.00 -1.10 0.00 0.00 41.96 38.63 3gaj s TYR 180 CO 0.19 -2.70 2.16 2.89 -2.51 0.00 0.00 175.55 175.58