#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g94 s PRO 2 N 0.00 4.31 0.00 -2.82 0.04 -1.26 -4.40 135.00 130.87 1g94 s PRO 2 Ca 0.00 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1g94 s PRO 2 Cb 0.00 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1g94 s PRO 2 CO 0.00 -0.36 0.00 0.25 0.04 0.00 0.00 177.00 176.93 1g94 n THR 3 N 2.42 0.00 -4.11 1.26 -2.24 -1.26 -4.95 114.28 105.40 1g94 n THR 3 Ca 0.06 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.70 1g94 n THR 3 Cb 0.41 0.93 -0.14 0.00 -2.10 0.00 0.00 70.33 69.43 1g94 n THR 3 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1g94 s THR 4 N 0.00 0.37 0.52 4.28 2.01 -1.26 -4.39 115.64 117.17 1g94 s THR 4 Ca 0.00 -0.31 0.04 0.00 0.31 0.00 0.00 61.69 61.73 1g94 s THR 4 Cb 0.00 -0.34 0.01 0.00 0.01 0.00 0.00 72.50 72.18 1g94 s THR 4 CO 0.00 0.03 0.22 0.72 -0.69 0.00 0.00 174.62 174.90 1g94 s PHE 5 N -0.29 1.81 -0.02 4.92 -0.12 -0.74 -0.52 117.98 123.02 1g94 s PHE 5 Ca -0.00 -0.86 -0.03 0.00 -0.05 0.00 0.00 56.93 55.98 1g94 s PHE 5 Cb -0.03 -1.80 0.00 0.00 -0.63 0.00 0.00 43.02 40.57 1g94 s PHE 5 CO -0.00 -0.14 0.08 0.54 -0.05 0.00 0.00 175.22 175.65 1g94 s VAL 6 N -2.80 0.02 -0.49 -2.49 0.11 -0.85 -0.90 120.40 113.01 1g94 s VAL 6 Ca 0.23 -0.21 -0.16 0.00 -2.93 0.00 0.00 61.98 58.91 1g94 s VAL 6 Cb -0.00 -0.19 0.07 0.00 -1.53 0.00 0.00 36.38 34.73 1g94 s VAL 6 CO 0.14 -0.11 0.45 -2.28 -3.33 0.00 0.00 175.10 169.97 1g94 s HIS 7 N -0.33 3.20 -1.26 1.54 2.46 -0.60 -0.42 115.29 119.89 1g94 s HIS 7 Ca -0.04 -0.88 -0.12 0.00 0.47 0.00 0.00 55.06 54.49 1g94 s HIS 7 Cb -0.03 -3.29 0.16 0.00 -0.13 0.00 0.00 32.58 29.29 1g94 s HIS 7 CO 0.00 -0.86 1.69 1.28 -2.47 0.00 0.00 174.74 174.38 1g94 n LEU 8 N 5.40 5.98 -4.64 8.88 4.77 -1.02 -1.96 117.00 134.40 1g94 n LEU 8 Ca -0.11 -4.52 -0.48 0.00 -0.03 0.00 0.00 56.01 50.87 1g94 n LEU 8 Cb 0.44 -1.56 -0.05 0.00 -2.33 0.00 0.00 43.42 39.92 1g94 n LEU 8 CO 0.49 1.04 1.59 0.33 -1.33 0.00 0.00 177.39 179.51 1g94 n PHE 9 N 4.89 2.19 -1.13 -1.77 -0.00 -1.19 -2.21 117.46 118.24 1g94 n PHE 9 Ca 0.39 -0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.80 1g94 n PHE 9 Cb 0.39 -2.66 -0.02 0.00 -0.00 0.00 0.00 39.48 37.19 1g94 n PHE 9 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1g94 n GLU 10 N 7.20 -1.33 -2.57 -4.13 -0.58 -1.26 -4.87 120.64 113.10 1g94 n GLU 10 Ca 0.26 0.56 -0.42 0.00 -0.42 0.00 0.00 57.16 57.15 1g94 n GLU 10 Cb 0.31 -4.66 -0.04 0.00 -0.57 0.00 0.00 31.44 26.48 1g94 n GLU 10 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1g94 s TRP 11 N -1.66 3.60 0.79 -0.32 0.52 -0.94 -4.95 118.94 115.99 1g94 s TRP 11 Ca 0.00 1.57 -0.11 0.00 0.02 0.00 0.00 56.10 57.58 1g94 s TRP 11 Cb 0.00 -3.24 0.07 0.00 -1.15 0.00 0.00 33.47 29.15 1g94 s TRP 11 CO 0.00 -0.51 1.09 0.54 0.02 0.00 0.00 176.95 178.08 1g94 s ASN 12 N 0.51 4.48 0.43 2.95 2.20 -1.26 -4.81 114.94 119.43 1g94 s ASN 12 Ca 0.52 1.43 0.10 0.00 -0.94 0.00 0.00 52.86 53.97 1g94 s ASN 12 Cb -0.26 -2.18 0.94 0.00 -2.00 0.00 0.00 41.25 37.75 1g94 s ASN 12 CO 0.31 -2.00 2.05 -0.50 -2.94 0.00 0.00 177.10 174.02 1g94 h TRP 13 N -1.10 0.44 -0.38 1.54 -0.00 -1.67 -1.70 115.95 113.08 1g94 h TRP 13 Ca -0.47 0.01 -0.15 0.00 -0.00 0.00 0.00 58.89 58.29 1g94 h TRP 13 Cb 1.26 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.16 30.26 1g94 h TRP 13 CO 0.49 0.26 -0.34 1.96 -0.00 0.00 0.00 178.44 180.82 1g94 h GLN 14 N 0.46 0.90 -0.53 0.49 4.20 -1.86 -1.60 115.11 117.17 1g94 h GLN 14 Ca 0.16 -0.46 -0.10 0.00 0.06 0.00 0.00 58.65 58.32 1g94 h GLN 14 Cb 0.08 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1g94 h GLN 14 CO -0.04 1.11 -0.06 -0.44 -0.67 0.00 0.00 178.83 178.73 1g94 h ASP 15 N 0.71 0.97 -0.44 1.46 3.45 -1.82 -2.30 116.42 118.45 1g94 h ASP 15 Ca 0.07 -0.33 -0.03 0.00 0.43 0.00 0.00 57.03 57.16 1g94 h ASP 15 Cb 0.92 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 39.41 1g94 h ASP 15 CO 0.09 1.07 0.14 0.58 -1.57 0.00 0.00 179.24 179.54 1g94 h VAL 16 N 0.84 1.22 -0.17 -1.35 2.07 -1.25 -1.16 116.25 116.45 1g94 h VAL 16 Ca 0.14 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 66.97 1g94 h VAL 16 Cb 0.61 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1g94 h VAL 16 CO 0.04 0.26 -0.04 0.00 0.02 0.00 0.00 177.57 177.85 1g94 h ALA 17 N 0.99 0.12 -0.46 1.67 0.00 -1.19 -0.30 119.26 120.09 1g94 h ALA 17 Ca 0.14 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1g94 h ALA 17 Cb 0.26 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1g94 h ALA 17 CO -0.00 -0.47 0.07 1.96 0.00 0.00 0.00 179.25 180.80 1g94 h GLN 18 N 0.01 0.72 -0.47 0.00 4.20 -1.30 -2.69 115.11 115.58 1g94 h GLN 18 Ca 0.08 -0.15 -0.13 0.00 0.06 0.00 0.00 58.65 58.51 1g94 h GLN 18 Cb 0.12 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1g94 h GLN 18 CO -0.17 0.69 -0.23 1.49 -0.67 0.00 0.00 178.83 179.94 1g94 h GLU 19 N 0.69 0.96 -0.38 1.46 4.57 -0.73 0.02 114.58 121.18 1g94 h GLU 19 Ca 0.15 -0.41 0.02 0.00 -1.18 0.00 0.00 59.36 57.94 1g94 h GLU 19 Cb 0.33 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 1g94 h GLU 19 CO 0.01 1.08 0.21 0.00 -1.18 0.00 0.00 179.01 179.12 1g94 h GLU 21 N 0.42 0.10 0.00 0.00 5.08 -1.32 -0.77 114.58 118.10 1g94 h GLU 21 Ca 0.15 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1g94 h GLU 21 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1g94 h GLU 21 CO -0.09 0.58 -0.48 1.96 -1.00 0.00 0.00 179.01 179.98 1g94 h GLN 22 N -0.37 0.00 0.00 2.33 4.20 -0.98 -3.42 115.11 116.87 1g94 h GLN 22 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1g94 h GLN 22 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1g94 h GLN 22 CO 0.01 0.25 -0.03 0.98 -0.67 0.00 0.00 178.83 179.37 1g94 n TYR 23 N -3.08 -1.53 -0.15 2.96 4.19 0.17 -4.83 117.16 114.89 1g94 n TYR 23 Ca 0.01 0.27 -0.04 0.00 3.31 0.00 0.00 57.90 61.45 1g94 n TYR 23 Cb 0.65 0.52 0.05 0.00 0.49 0.00 0.00 39.34 41.05 1g94 n TYR 23 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 1g94 h LEU 24 N 0.00 0.22 0.42 2.98 3.38 -1.18 -0.54 115.31 120.58 1g94 h LEU 24 Ca 0.00 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1g94 h LEU 24 Cb 0.03 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1g94 h LEU 24 CO 0.00 0.16 -0.20 1.23 0.09 0.00 0.00 178.44 179.71 1g94 h GLY 25 N 0.37 -0.59 0.95 0.83 0.00 -1.35 -1.17 103.07 102.11 1g94 h GLY 25 Ca 0.22 0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.83 1g94 h GLY 25 CO -0.20 -0.21 0.53 -2.55 0.00 0.00 0.00 176.54 174.10 1g94 h PRO 26 N -0.78 0.86 -0.00 4.80 0.11 -1.77 -2.26 132.00 132.97 1g94 h PRO 26 Ca -0.06 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1g94 h PRO 26 Cb 0.53 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1g94 h PRO 26 CO 0.09 0.57 -0.06 1.63 -0.21 0.00 0.00 178.00 180.03 1g94 n LYS 27 N -4.48 0.09 -0.45 1.05 4.76 -0.22 -4.96 118.16 113.94 1g94 n LYS 27 Ca 0.12 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1g94 n LYS 27 Cb 0.21 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 1g94 n LYS 27 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1g94 n GLY 28 N 1.46 0.75 3.75 0.72 0.00 -0.75 -4.72 105.19 106.40 1g94 n GLY 28 Ca 0.08 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1g94 n GLY 28 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1g94 s TYR 29 N -2.00 3.23 0.11 1.61 2.02 -0.52 -4.53 117.35 117.26 1g94 s TYR 29 Ca 0.00 1.32 -0.11 0.00 -0.37 0.00 0.00 57.07 57.91 1g94 s TYR 29 Cb 0.00 -3.59 -0.15 0.00 -0.40 0.00 0.00 41.96 37.82 1g94 s TYR 29 CO 0.00 -1.74 1.28 0.00 -1.57 0.00 0.00 175.55 173.52 1g94 h ALA 30 N 4.63 0.29 -2.98 3.71 0.00 -1.13 -3.44 119.26 120.34 1g94 h ALA 30 Ca -0.46 -0.64 0.01 0.00 0.00 0.00 0.00 54.91 53.82 1g94 h ALA 30 Cb 1.22 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1g94 h ALA 30 CO 0.73 0.71 0.20 0.00 0.00 0.00 0.00 179.25 180.89 1g94 s ALA 31 N -3.56 -0.87 -0.09 0.00 0.00 -1.25 -1.72 121.76 114.27 1g94 s ALA 31 Ca -0.09 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1g94 s ALA 31 Cb 0.08 0.81 0.02 0.00 0.00 0.00 0.00 23.12 24.04 1g94 s ALA 31 CO 0.90 -0.99 -0.07 0.08 0.00 0.00 0.00 175.76 175.67 1g94 s VAL 32 N -3.25 0.92 -0.30 0.00 1.01 -0.10 -2.00 120.40 116.68 1g94 s VAL 32 Ca 0.14 -0.26 -0.23 0.00 0.00 0.00 0.00 61.98 61.63 1g94 s VAL 32 Cb -0.05 -0.93 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 1g94 s VAL 32 CO 0.09 0.34 0.77 -1.58 0.00 0.00 0.00 175.10 174.72 1g94 s GLN 33 N 1.45 3.98 0.22 2.72 0.74 0.44 -0.65 119.66 128.56 1g94 s GLN 33 Ca -0.01 0.58 0.05 0.00 0.05 0.00 0.00 55.36 56.03 1g94 s GLN 33 Cb -0.13 -3.72 -0.03 0.00 1.10 0.00 0.00 33.01 30.23 1g94 s GLN 33 CO -0.05 -0.64 0.32 0.14 -0.55 0.00 0.00 175.29 174.51 1g94 s VAL 34 N 2.89 5.15 0.65 1.34 -7.23 -0.65 -2.45 120.40 120.10 1g94 s VAL 34 Ca 0.31 -0.98 -0.16 0.00 -1.81 0.00 0.00 61.98 59.35 1g94 s VAL 34 Cb -0.14 -3.76 -0.01 0.00 0.56 0.00 0.00 36.38 33.03 1g94 s VAL 34 CO 0.12 -0.28 1.13 -0.44 -0.31 0.00 0.00 175.10 175.32 1g94 s SER 35 N -3.78 5.06 -0.38 4.85 0.01 -1.26 -3.36 113.70 114.83 1g94 s SER 35 Ca 0.34 2.11 -0.43 0.00 1.31 0.00 0.00 55.95 59.27 1g94 s SER 35 Cb -0.09 -2.56 -0.18 0.00 0.21 0.00 0.00 66.02 63.40 1g94 s SER 35 CO 0.28 -1.66 1.69 -2.65 0.41 0.00 0.00 173.24 171.31 1g94 n PRO 36 N -2.24 0.64 0.00 12.44 -0.02 -1.26 -4.70 135.00 139.85 1g94 n PRO 36 Ca 0.11 0.23 0.13 0.00 -2.02 0.00 0.00 63.50 61.96 1g94 n PRO 36 Cb 0.51 -1.84 0.42 0.00 -0.02 0.00 0.00 33.50 32.58 1g94 n PRO 36 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1g94 n PRO 37 N 4.82 0.69 -2.20 0.52 -0.04 -1.26 -4.84 135.00 132.68 1g94 n PRO 37 Ca 0.29 -0.36 -0.27 0.00 -0.04 0.00 0.00 63.50 63.12 1g94 n PRO 37 Cb 0.04 -1.49 0.06 0.00 -0.04 0.00 0.00 33.50 32.07 1g94 n PRO 37 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1g94 s ASN 38 N -2.56 5.06 0.25 3.54 4.22 -1.26 -3.48 114.94 120.70 1g94 s ASN 38 Ca 0.24 0.62 -0.31 0.00 -2.14 0.00 0.00 52.86 51.26 1g94 s ASN 38 Cb 0.19 -1.36 -0.11 0.00 1.28 0.00 0.00 41.25 41.25 1g94 s ASN 38 CO 0.53 -1.46 1.64 -0.70 -2.04 0.00 0.00 177.10 175.07 1g94 s GLU 39 N -5.22 4.13 0.29 3.55 2.12 0.37 -4.56 118.70 119.39 1g94 s GLU 39 Ca 0.58 2.56 0.03 0.00 0.36 0.00 0.00 54.97 58.51 1g94 s GLU 39 Cb -0.11 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 1g94 s GLU 39 CO 0.46 -0.67 0.19 -3.38 -0.54 0.00 0.00 175.26 171.31 1g94 s HIS 40 N 0.56 1.55 0.69 5.30 -3.43 -1.26 -0.91 115.29 117.79 1g94 s HIS 40 Ca 0.68 -1.45 -0.15 0.00 -0.80 0.00 0.00 55.06 53.34 1g94 s HIS 40 Cb -0.48 -0.76 0.02 0.00 -1.43 0.00 0.00 32.58 29.93 1g94 s HIS 40 CO 0.40 -0.64 1.14 0.96 -2.00 0.00 0.00 174.74 174.60 1g94 s ILE 41 N -3.68 2.96 0.79 -5.38 -4.36 -0.98 -0.95 121.20 109.61 1g94 s ILE 41 Ca 0.38 0.44 -0.12 0.00 -0.26 0.00 0.00 60.65 61.09 1g94 s ILE 41 Cb 0.05 -2.95 0.06 0.00 1.25 0.00 0.00 42.46 40.87 1g94 s ILE 41 CO 0.19 -0.28 1.10 0.42 0.24 0.00 0.00 174.94 176.61 1g94 s THR 42 N -2.29 3.03 0.00 8.37 -4.23 -1.13 -4.72 115.64 114.66 1g94 s THR 42 Ca 0.68 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 61.53 1g94 s THR 42 Cb -0.23 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.48 1g94 s THR 42 CO 0.44 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1g94 n GLY 43 N -2.33 3.81 0.05 3.99 0.00 -1.26 -4.97 105.19 104.48 1g94 n GLY 43 Ca 0.07 -1.72 0.11 0.00 0.00 0.00 0.00 46.02 44.49 1g94 n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1g94 n SER 44 N 0.00 0.63 -4.70 1.61 3.41 -1.26 -4.92 113.62 108.39 1g94 n SER 44 Ca 0.00 -0.07 -0.38 0.00 -0.26 0.00 0.00 58.87 58.16 1g94 n SER 44 Cb 0.00 0.67 0.05 0.00 -0.26 0.00 0.00 64.21 64.67 1g94 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g94 n GLN 45 N -2.08 1.26 0.11 4.33 3.00 -1.26 -2.97 117.38 119.78 1g94 n GLN 45 Ca 0.02 0.48 0.02 0.00 -0.01 0.00 0.00 57.00 57.50 1g94 n GLN 45 Cb 0.45 -2.44 0.36 0.00 0.00 0.00 0.00 30.24 28.62 1g94 n GLN 45 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.06 177.17 1g94 h TRP 46 N 0.86 0.25 0.00 1.08 5.08 -1.63 -3.02 115.95 118.56 1g94 h TRP 46 Ca -0.50 -0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.44 1g94 h TRP 46 Cb 1.33 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 27.43 1g94 h TRP 46 CO 0.42 0.41 0.00 -2.67 -1.28 0.00 0.00 178.44 175.31 1g94 n TRP 47 N -4.23 0.00 0.26 0.12 4.27 -1.26 -3.26 117.44 113.33 1g94 n TRP 47 Ca -0.01 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.72 1g94 n TRP 47 Cb 0.30 0.00 0.69 0.00 -1.36 0.00 0.00 31.31 30.94 1g94 n TRP 47 CO 0.00 0.00 0.00 1.79 -2.29 0.00 0.00 177.69 177.19 1g94 h THR 48 N 0.00 0.64 0.00 -1.67 1.35 -1.87 -2.13 112.91 109.23 1g94 h THR 48 Ca 0.00 -0.58 -0.01 0.00 -0.55 0.00 0.00 66.41 65.28 1g94 h THR 48 Cb 0.00 1.36 -0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1g94 h THR 48 CO 0.00 0.13 -0.03 0.03 -0.25 0.00 0.00 175.52 175.40 1g94 h ARG 49 N 0.00 0.00 -0.65 4.72 2.47 -1.82 -2.45 114.38 116.66 1g94 h ARG 49 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1g94 h ARG 49 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1g94 h ARG 49 CO 0.02 0.03 0.00 0.66 0.56 0.00 0.00 179.97 181.24 1g94 n TYR 50 N -3.56 1.33 -3.70 3.04 4.02 -0.80 -4.58 117.16 112.92 1g94 n TYR 50 Ca -0.03 -0.50 -0.29 0.00 -0.01 0.00 0.00 57.90 57.08 1g94 n TYR 50 Cb 0.12 -0.29 -0.12 0.00 -0.02 0.00 0.00 39.34 39.03 1g94 n TYR 50 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1g94 s GLN 51 N -2.01 1.48 0.49 -0.72 -0.21 -0.92 -4.85 119.66 112.92 1g94 s GLN 51 Ca 0.40 -2.32 -0.23 0.00 0.02 0.00 0.00 55.36 53.23 1g94 s GLN 51 Cb 0.28 -2.41 -0.07 0.00 1.00 0.00 0.00 33.01 31.81 1g94 s GLN 51 CO 0.16 -1.23 1.26 -2.14 -2.12 0.00 0.00 175.29 171.22 1g94 s PRO 52 N -0.10 3.55 -0.10 2.91 0.02 -1.26 -2.31 135.00 137.71 1g94 s PRO 52 Ca 0.22 2.01 0.03 0.00 0.02 0.00 0.00 61.00 63.28 1g94 s PRO 52 Cb -0.15 -2.40 -0.08 0.00 0.02 0.00 0.00 34.50 31.90 1g94 s PRO 52 CO -0.07 -0.79 -0.06 0.28 -0.33 0.00 0.00 177.00 176.02 1g94 n VAL 53 N -0.61 0.60 -3.63 3.83 0.31 -0.08 -1.57 118.33 117.17 1g94 n VAL 53 Ca 0.08 -0.27 -0.05 0.00 -0.01 0.00 0.00 64.34 64.09 1g94 n VAL 53 Cb 0.46 -0.85 0.02 0.00 -0.91 0.00 0.00 33.84 32.56 1g94 n VAL 53 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1g94 n SER 54 N -2.67 -1.59 -1.56 4.52 3.41 -1.21 -4.32 113.62 110.20 1g94 n SER 54 Ca -0.17 -2.05 0.08 0.00 -0.26 0.00 0.00 58.87 56.47 1g94 n SER 54 Cb 0.72 2.63 0.35 0.00 -0.26 0.00 0.00 64.21 67.65 1g94 n SER 54 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1g94 n TYR 55 N -0.42 1.59 -2.34 7.33 4.01 -1.26 -3.15 117.16 122.92 1g94 n TYR 55 Ca -0.05 -0.69 -0.41 0.00 -0.16 0.00 0.00 57.90 56.59 1g94 n TYR 55 Cb 0.43 -0.35 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 1g94 n TYR 55 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1g94 s GLU 56 N -2.31 4.50 -1.60 -0.72 2.02 -1.26 -4.74 118.70 114.60 1g94 s GLU 56 Ca 0.50 1.94 -0.10 0.00 0.02 0.00 0.00 54.97 57.33 1g94 s GLU 56 Cb 0.36 -3.19 -0.06 0.00 0.10 0.00 0.00 34.13 31.33 1g94 s GLU 56 CO 0.19 -0.04 2.85 1.28 0.02 0.00 0.00 175.26 179.56 1g94 n LEU 57 N 1.83 8.51 -3.78 1.80 4.77 -1.26 -0.48 117.00 128.39 1g94 n LEU 57 Ca 0.02 -4.36 -0.29 0.00 -0.03 0.00 0.00 56.01 51.35 1g94 n LEU 57 Cb 0.44 -1.56 -0.16 0.00 -2.33 0.00 0.00 43.42 39.81 1g94 n LEU 57 CO 0.56 1.95 -0.36 -1.58 -1.33 0.00 0.00 177.39 176.64 1g94 s GLN 58 N 2.17 0.86 0.12 3.23 2.00 -1.23 -1.01 119.66 125.80 1g94 s GLN 58 Ca 0.66 -0.88 0.02 0.00 -2.00 0.00 0.00 55.36 53.16 1g94 s GLN 58 Cb 0.17 -2.16 -0.01 0.00 0.80 0.00 0.00 33.01 31.82 1g94 s GLN 58 CO -0.06 -0.82 0.12 -1.13 -0.50 0.00 0.00 175.29 172.90 1g94 n SER 59 N 4.87 -0.31 0.26 6.67 3.41 -0.66 -3.57 113.62 124.29 1g94 n SER 59 Ca -0.06 -1.73 0.11 0.00 -0.26 0.00 0.00 58.87 56.93 1g94 n SER 59 Cb 0.44 0.66 0.71 0.00 -0.26 0.00 0.00 64.21 65.76 1g94 n SER 59 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1g94 h ARG 60 N 0.00 0.00 0.00 4.33 2.43 -1.89 -1.83 114.38 117.42 1g94 h ARG 60 Ca -0.08 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 1g94 h ARG 60 Cb 0.41 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1g94 h ARG 60 CO 0.12 0.06 -0.20 0.78 -1.51 0.00 0.00 179.97 179.23 1g94 h GLY 61 N 0.28 0.00 0.00 2.80 0.00 -1.90 -3.47 103.07 100.78 1g94 h GLY 61 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1g94 h GLY 61 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 1g94 n GLY 62 N 0.42 0.26 4.01 4.60 0.00 -0.69 -1.71 105.19 112.08 1g94 n GLY 62 Ca 0.01 -1.75 -0.22 0.00 0.00 0.00 0.00 46.02 44.06 1g94 n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g94 s ASN 63 N -2.79 4.59 0.21 1.61 2.20 -1.26 -1.65 114.94 117.85 1g94 s ASN 63 Ca 0.00 -0.55 -0.09 0.00 -0.94 0.00 0.00 52.86 51.28 1g94 s ASN 63 Cb 0.00 0.12 0.25 0.00 -2.00 0.00 0.00 41.25 39.62 1g94 s ASN 63 CO 0.00 -1.69 1.79 -0.09 -2.94 0.00 0.00 177.10 174.17 1g94 h ARG 64 N -0.29 0.59 -0.59 3.55 2.43 -1.48 -1.33 114.38 117.26 1g94 h ARG 64 Ca -0.34 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.79 1g94 h ARG 64 Cb 1.27 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1g94 h ARG 64 CO 0.40 0.39 0.34 0.00 -1.51 0.00 0.00 179.97 179.59 1g94 h ALA 65 N 1.36 0.75 -0.24 2.80 0.00 -1.95 -1.34 119.26 120.64 1g94 h ALA 65 Ca 0.30 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1g94 h ALA 65 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1g94 h ALA 65 CO -0.21 0.25 -0.19 1.96 0.00 0.00 0.00 179.25 181.06 1g94 h GLN 66 N 0.79 0.43 -0.23 0.00 4.20 -1.83 -1.27 115.11 117.21 1g94 h GLN 66 Ca 0.21 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 1g94 h GLN 66 Cb 0.01 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1g94 h GLN 66 CO -0.04 0.61 -0.10 0.35 -0.67 0.00 0.00 178.83 178.98 1g94 h PHE 67 N 0.39 0.55 -0.57 2.96 3.57 -0.90 -2.00 116.94 120.94 1g94 h PHE 67 Ca 0.07 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 1g94 h PHE 67 Cb 0.56 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1g94 h PHE 67 CO 0.02 0.75 0.22 0.82 -2.23 0.00 0.00 178.31 177.88 1g94 h ILE 68 N 0.20 1.23 -0.59 1.41 2.04 -1.08 -1.83 117.51 118.88 1g94 h ILE 68 Ca 0.05 -0.71 0.04 0.00 1.00 0.00 0.00 64.86 65.24 1g94 h ILE 68 Cb 0.60 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1g94 h ILE 68 CO 0.03 0.27 0.34 -0.78 0.00 0.00 0.00 178.15 178.02 1g94 h ASP 69 N 0.78 0.53 -0.31 1.72 3.58 -1.20 -1.37 116.42 120.15 1g94 h ASP 69 Ca 0.19 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1g94 h ASP 69 Cb 0.21 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 1g94 h ASP 69 CO -0.01 0.36 0.20 -0.03 -2.88 0.00 0.00 179.24 176.87 1g94 h MET 70 N 0.66 0.41 -0.85 0.28 4.05 -1.01 -0.25 114.93 118.22 1g94 h MET 70 Ca 0.25 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.64 1g94 h MET 70 Cb 0.09 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 30.76 1g94 h MET 70 CO -0.13 0.29 0.51 0.28 0.23 0.00 0.00 176.91 178.08 1g94 h VAL 71 N 0.41 1.24 0.01 -5.77 2.07 -0.84 -0.19 116.25 113.17 1g94 h VAL 71 Ca 0.11 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1g94 h VAL 71 Cb -0.02 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1g94 h VAL 71 CO -0.02 0.25 -0.00 0.78 0.02 0.00 0.00 177.57 178.59 1g94 h ASN 72 N 1.16 -0.01 -0.77 0.57 2.35 -0.98 -0.91 115.58 117.00 1g94 h ASN 72 Ca 0.30 -0.32 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1g94 h ASN 72 Cb -0.04 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 1g94 h ASN 72 CO -0.06 0.32 0.33 0.03 -1.65 0.00 0.00 177.43 176.40 1g94 h ARG 73 N -0.34 1.13 -0.28 0.81 3.08 -0.91 -0.77 114.38 117.10 1g94 h ARG 73 Ca -0.00 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 1g94 h ARG 73 Cb 0.33 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1g94 h ARG 73 CO 0.00 0.91 0.02 0.00 -1.07 0.00 0.00 179.97 179.83 1g94 h SER 75 N 0.28 0.80 0.28 0.00 0.87 -0.90 -0.10 113.55 114.77 1g94 h SER 75 Ca 0.08 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 1g94 h SER 75 Cb 0.39 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1g94 h SER 75 CO 0.01 0.52 -0.21 0.00 -0.53 0.00 0.00 176.83 176.62 1g94 h ALA 76 N 1.37 1.51 -0.01 6.23 0.00 -0.97 -1.15 119.26 126.26 1g94 h ALA 76 Ca 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1g94 h ALA 76 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1g94 h ALA 76 CO -0.15 0.27 -0.07 0.00 0.00 0.00 0.00 179.25 179.29 1g94 n ALA 77 N -2.44 2.73 -0.62 0.00 0.00 -0.36 -4.92 120.51 114.90 1g94 n ALA 77 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1g94 n ALA 77 Cb 0.28 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1g94 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g94 n GLY 78 N 1.20 0.63 3.24 0.00 0.00 -0.43 -4.47 105.19 105.36 1g94 n GLY 78 Ca 0.17 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 1g94 n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g94 s VAL 79 N -2.00 2.74 0.69 1.61 1.01 -0.20 -4.88 120.40 119.38 1g94 s VAL 79 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 1g94 s VAL 79 Cb 0.00 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.20 1g94 s VAL 79 CO 0.00 0.49 1.07 -1.81 0.00 0.00 0.00 175.10 174.85 1g94 s ASP 80 N 1.13 5.51 -0.07 3.32 -0.00 -0.70 -3.04 116.67 122.83 1g94 s ASP 80 Ca 0.01 1.34 0.05 0.00 -0.00 0.00 0.00 52.55 53.95 1g94 s ASP 80 Cb -0.14 -2.22 -0.01 0.00 -0.00 0.00 0.00 42.92 40.55 1g94 s ASP 80 CO -0.04 -1.32 -0.23 -0.63 -0.00 0.00 0.00 175.17 172.94 1g94 s ILE 81 N -3.21 2.22 -0.14 0.77 -1.09 -1.26 -0.92 121.20 117.57 1g94 s ILE 81 Ca 0.58 -0.99 0.01 0.00 -2.23 0.00 0.00 60.65 58.02 1g94 s ILE 81 Cb -0.12 -1.83 0.00 0.00 -1.58 0.00 0.00 42.46 38.93 1g94 s ILE 81 CO 0.53 0.56 -0.18 -0.31 -1.23 0.00 0.00 174.94 174.32 1g94 s TYR 82 N -0.03 2.72 -0.17 3.97 4.12 0.18 -1.99 117.35 126.15 1g94 s TYR 82 Ca -0.07 -1.10 -0.11 0.00 0.02 0.00 0.00 57.07 55.81 1g94 s TYR 82 Cb -0.15 -1.84 -0.05 0.00 -1.52 0.00 0.00 41.96 38.41 1g94 s TYR 82 CO 0.05 -0.49 0.20 0.08 0.02 0.00 0.00 175.55 175.42 1g94 s VAL 83 N 0.71 5.37 -0.32 0.71 1.01 -0.17 -1.64 120.40 126.07 1g94 s VAL 83 Ca -0.08 0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 1g94 s VAL 83 Cb -0.16 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.69 1g94 s VAL 83 CO 0.01 0.44 1.40 -0.62 0.00 0.00 0.00 175.10 176.33 1g94 s ASP 84 N 0.21 6.50 -0.20 3.32 3.68 -1.21 -1.15 116.67 127.82 1g94 s ASP 84 Ca 0.13 1.16 -0.05 0.00 2.13 0.00 0.00 52.55 55.92 1g94 s ASP 84 Cb -0.12 -2.54 -0.02 0.00 -1.45 0.00 0.00 42.92 38.79 1g94 s ASP 84 CO 0.01 -1.23 -0.01 -0.89 0.13 0.00 0.00 175.17 173.18 1g94 s THR 85 N 4.89 3.80 -0.82 1.71 2.01 0.59 -4.32 115.64 123.51 1g94 s THR 85 Ca 0.61 -0.36 -0.21 0.00 0.31 0.00 0.00 61.69 62.03 1g94 s THR 85 Cb -0.17 -2.72 0.09 0.00 0.01 0.00 0.00 72.50 69.71 1g94 s THR 85 CO 0.27 0.43 1.10 -0.76 -0.69 0.00 0.00 174.62 174.98 1g94 s LEU 86 N 1.05 4.49 0.00 4.42 2.01 -1.26 -1.25 118.68 128.14 1g94 s LEU 86 Ca 0.02 -1.45 0.24 0.00 0.01 0.00 0.00 54.13 52.94 1g94 s LEU 86 Cb -0.14 -2.44 0.22 0.00 0.01 0.00 0.00 46.19 43.83 1g94 s LEU 86 CO 0.01 -1.32 1.21 2.30 1.01 0.00 0.00 176.35 179.57 1g94 n ILE 87 N 5.89 0.00 -0.09 -0.59 -5.35 -1.26 -4.56 119.36 113.41 1g94 n ILE 87 Ca 0.12 -0.09 -0.08 0.00 -0.27 0.00 0.00 62.75 62.44 1g94 n ILE 87 Cb 0.48 0.74 -0.16 0.00 -1.74 0.00 0.00 39.64 38.96 1g94 n ILE 87 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1g94 n ASN 88 N -0.98 0.03 -3.18 7.28 5.15 -1.26 -4.93 115.26 117.36 1g94 n ASN 88 Ca 0.07 0.01 -0.10 0.00 -0.60 0.00 0.00 54.58 53.97 1g94 n ASN 88 Cb 0.37 1.06 0.00 0.00 -0.53 0.00 0.00 39.78 40.67 1g94 n ASN 88 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1g94 s HIS 89 N -2.59 0.27 0.43 1.20 -3.43 -1.26 -1.76 115.29 108.15 1g94 s HIS 89 Ca -0.10 -0.82 0.03 0.00 -0.80 0.00 0.00 55.06 53.38 1g94 s HIS 89 Cb 0.07 0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 31.78 1g94 s HIS 89 CO 0.84 -1.41 0.05 -1.64 -2.00 0.00 0.00 174.74 170.58 1g94 s MET 90 N -2.78 1.99 0.85 -0.38 -1.94 -0.44 -4.66 119.30 111.93 1g94 s MET 90 Ca 0.18 -2.20 -0.13 0.00 -1.71 0.00 0.00 55.69 51.82 1g94 s MET 90 Cb -0.04 -1.19 0.05 0.00 2.01 0.00 0.00 34.83 35.66 1g94 s MET 90 CO 0.12 -0.30 0.79 0.00 -0.01 0.00 0.00 175.02 175.62 1g94 n ALA 91 N -1.01 -1.27 -2.49 3.03 0.00 -0.61 -2.17 120.51 115.99 1g94 n ALA 91 Ca -0.10 -0.42 -0.29 0.00 0.00 0.00 0.00 53.44 52.63 1g94 n ALA 91 Cb 0.66 -2.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.07 1g94 n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g94 s ALA 92 N -2.22 3.60 0.00 0.00 0.00 -1.26 -3.83 121.76 118.05 1g94 s ALA 92 Ca 0.66 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1g94 s ALA 92 Cb -0.27 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.51 1g94 s ALA 92 CO 0.58 0.26 0.00 0.41 0.00 0.00 0.00 175.76 177.01 1g94 n GLY 93 N -0.87 3.08 3.21 0.00 0.00 -1.26 -4.85 105.19 104.50 1g94 n GLY 93 Ca -0.01 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 1g94 n GLY 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1g94 s SER 94 N -4.00 0.22 0.00 1.61 1.04 -1.26 -3.62 113.70 107.68 1g94 s SER 94 Ca 0.00 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.36 1g94 s SER 94 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1g94 s SER 94 CO 0.00 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1g94 n GLY 95 N -0.13 -0.49 3.20 7.32 0.00 -0.75 -4.98 105.19 109.36 1g94 n GLY 95 Ca -0.07 -0.71 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 1g94 n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g94 s THR 96 N -4.00 1.18 0.46 2.61 2.01 -1.26 -1.99 115.64 114.66 1g94 s THR 96 Ca 0.00 -1.46 0.08 0.00 0.31 0.00 0.00 61.69 60.61 1g94 s THR 96 Cb 0.00 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 71.28 1g94 s THR 96 CO 0.00 -0.30 0.49 -0.83 -0.69 0.00 0.00 174.62 173.29 1g94 s GLY 97 N -2.02 2.06 0.00 4.40 0.00 0.84 -2.86 107.32 109.75 1g94 s GLY 97 Ca 0.02 -1.79 0.13 0.00 0.00 0.00 0.00 44.72 43.08 1g94 s GLY 97 CO 0.02 -1.69 1.40 -1.30 0.00 0.00 0.00 173.10 171.54 1g94 n THR 98 N -1.77 1.13 -0.38 0.90 -2.24 -0.12 -1.90 114.28 109.91 1g94 n THR 98 Ca 0.06 0.28 0.07 0.00 -2.27 0.00 0.00 64.05 62.19 1g94 n THR 98 Cb 0.61 -1.07 0.19 0.00 -2.10 0.00 0.00 70.33 67.97 1g94 n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g94 n ALA 99 N -1.50 2.40 -0.21 6.98 0.00 -1.26 -4.79 120.51 122.14 1g94 n ALA 99 Ca 0.03 -1.42 0.00 0.00 0.00 0.00 0.00 53.44 52.05 1g94 n ALA 99 Cb 0.15 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1g94 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g94 n GLY 100 N 0.34 1.09 3.76 0.00 0.00 -0.80 -5.05 105.19 104.53 1g94 n GLY 100 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1g94 n GLY 100 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1g94 s ASN 101 N -2.95 7.01 0.19 1.61 0.01 -1.26 -4.72 114.94 114.82 1g94 s ASN 101 Ca 0.00 2.33 0.04 0.00 -0.71 0.00 0.00 52.86 54.52 1g94 s ASN 101 Cb 0.00 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 39.00 1g94 s ASN 101 CO 0.00 -0.33 0.29 -0.44 -1.51 0.00 0.00 177.10 175.11 1g94 s SER 102 N -0.93 6.19 0.15 -1.22 0.01 -1.26 -0.11 113.70 116.53 1g94 s SER 102 Ca 0.49 0.08 -0.17 0.00 1.31 0.00 0.00 55.95 57.66 1g94 s SER 102 Cb -0.32 -1.81 0.03 0.00 0.21 0.00 0.00 66.02 64.13 1g94 s SER 102 CO 0.41 0.01 0.44 0.72 0.41 0.00 0.00 173.24 175.24 1g94 s PHE 103 N -1.84 -0.18 0.00 2.43 -0.12 -0.84 -4.55 117.98 112.88 1g94 s PHE 103 Ca 0.34 -0.14 0.00 0.00 -0.05 0.00 0.00 56.93 57.08 1g94 s PHE 103 Cb -0.10 0.30 0.00 0.00 -0.63 0.00 0.00 43.02 42.59 1g94 s PHE 103 CO 0.28 -0.77 0.00 0.41 -0.05 0.00 0.00 175.22 175.09 1g94 n GLY 104 N -0.27 1.99 3.81 1.99 0.00 -0.77 -1.81 105.19 110.14 1g94 n GLY 104 Ca -0.14 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 1g94 n GLY 104 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g94 n ASN 105 N 0.00 -1.79 -2.92 1.61 5.03 -1.24 -1.36 115.26 114.60 1g94 n ASN 105 Ca 0.00 -0.85 -0.21 0.00 0.87 0.00 0.00 54.58 54.38 1g94 n ASN 105 Cb 0.00 -3.78 0.02 0.00 -1.02 0.00 0.00 39.78 35.00 1g94 n ASN 105 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1g94 n LYS 106 N -4.39 -3.85 -3.95 3.52 5.02 -1.26 -4.71 118.16 108.55 1g94 n LYS 106 Ca -0.22 0.83 -0.30 0.00 -2.02 0.00 0.00 58.31 56.60 1g94 n LYS 106 Cb 0.64 -5.61 -0.16 0.00 -0.02 0.00 0.00 35.03 29.88 1g94 n LYS 106 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1g94 s SER 107 N -2.53 3.25 0.43 4.39 0.15 -0.46 -1.82 113.70 117.11 1g94 s SER 107 Ca 0.24 -0.85 0.04 0.00 0.70 0.00 0.00 55.95 56.08 1g94 s SER 107 Cb -0.11 -1.10 -0.04 0.00 -1.71 0.00 0.00 66.02 63.05 1g94 s SER 107 CO 0.30 -0.17 0.04 -0.36 1.20 0.00 0.00 173.24 174.24 1g94 s PHE 108 N 1.49 2.06 0.44 3.44 0.08 -0.03 -1.85 117.98 123.60 1g94 s PHE 108 Ca -0.01 -0.94 0.10 0.00 0.12 0.00 0.00 56.93 56.20 1g94 s PHE 108 Cb -0.16 -1.51 0.97 0.00 -0.57 0.00 0.00 43.02 41.75 1g94 s PHE 108 CO -0.08 0.15 2.07 -1.35 -0.10 0.00 0.00 175.22 175.91 1g94 h PRO 109 N 1.71 0.41 -0.01 0.24 0.11 -1.80 -3.18 132.00 129.47 1g94 h PRO 109 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1g94 h PRO 109 Cb 1.27 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1g94 h PRO 109 CO 0.72 0.27 -0.10 0.44 -0.21 0.00 0.00 178.00 179.12 1g94 n ILE 110 N -4.49 0.00 -4.03 4.15 -5.35 -1.26 -5.03 119.36 103.35 1g94 n ILE 110 Ca 0.03 -0.45 -0.12 0.00 -0.27 0.00 0.00 62.75 61.93 1g94 n ILE 110 Cb 0.10 1.12 -0.12 0.00 -1.74 0.00 0.00 39.64 39.00 1g94 n ILE 110 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1g94 s TYR 111 N -0.96 0.43 0.37 4.28 2.02 -1.20 -5.09 117.35 117.19 1g94 s TYR 111 Ca 0.08 -0.37 0.08 0.00 -0.37 0.00 0.00 57.07 56.48 1g94 s TYR 111 Cb 0.06 -0.27 -0.04 0.00 -0.40 0.00 0.00 41.96 41.31 1g94 s TYR 111 CO 0.16 -0.09 0.19 -1.54 -1.57 0.00 0.00 175.55 172.70 1g94 s SER 112 N -1.08 4.68 0.55 2.29 1.04 -1.26 -0.85 113.70 119.06 1g94 s SER 112 Ca -0.08 -0.84 0.25 0.00 0.48 0.00 0.00 55.95 55.75 1g94 s SER 112 Cb -0.07 -0.64 1.45 0.00 0.10 0.00 0.00 66.02 66.86 1g94 s SER 112 CO -0.00 -0.42 2.04 -0.65 0.98 0.00 0.00 173.24 175.19 1g94 h PRO 113 N 1.43 0.00 0.00 4.02 0.11 -1.64 -0.17 132.00 135.75 1g94 h PRO 113 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1g94 h PRO 113 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1g94 h PRO 113 CO 0.64 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.47 1g94 n GLN 114 N -4.20 0.31 -0.15 1.05 3.00 -1.26 -2.75 117.38 113.38 1g94 n GLN 114 Ca 0.05 0.07 0.11 0.00 -0.01 0.00 0.00 57.00 57.22 1g94 n GLN 114 Cb 0.45 -1.50 0.28 0.00 0.00 0.00 0.00 30.24 29.48 1g94 n GLN 114 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1g94 n ASP 115 N -1.30 2.51 -4.48 1.08 10.43 -0.08 -4.92 116.55 119.79 1g94 n ASP 115 Ca 0.11 -1.87 -0.24 0.00 2.57 0.00 0.00 54.79 55.36 1g94 n ASP 115 Cb 0.19 -0.20 -0.10 0.00 1.84 0.00 0.00 41.12 42.86 1g94 n ASP 115 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1g94 s PHE 116 N -1.61 2.32 0.64 1.24 0.08 -1.11 -1.09 117.98 118.46 1g94 s PHE 116 Ca 0.35 -0.32 -0.14 0.00 0.12 0.00 0.00 56.93 56.93 1g94 s PHE 116 Cb 0.19 -1.01 -0.01 0.00 -0.57 0.00 0.00 43.02 41.62 1g94 s PHE 116 CO 0.28 0.70 1.07 -1.01 -0.10 0.00 0.00 175.22 176.15 1g94 s HIS 117 N -2.44 2.92 0.30 0.36 3.76 0.09 -4.70 115.29 115.58 1g94 s HIS 117 Ca 0.30 1.50 -0.29 0.00 -0.15 0.00 0.00 55.06 56.41 1g94 s HIS 117 Cb -0.05 -3.01 -0.10 0.00 1.11 0.00 0.00 32.58 30.52 1g94 s HIS 117 CO 0.15 -1.29 1.44 -1.83 -0.85 0.00 0.00 174.74 172.36 1g94 s GLU 118 N -4.36 4.24 0.07 1.40 1.03 -1.26 -4.79 118.70 115.02 1g94 s GLU 118 Ca 0.63 2.37 -0.32 0.00 0.03 0.00 0.00 54.97 57.67 1g94 s GLU 118 Cb -0.16 -3.06 -0.11 0.00 -0.80 0.00 0.00 34.13 29.99 1g94 s GLU 118 CO 0.43 -0.42 1.83 0.43 -1.33 0.00 0.00 175.26 176.20 1g94 n SER 119 N 1.65 3.78 -3.63 0.83 7.64 -1.26 -4.85 113.62 117.78 1g94 n SER 119 Ca 0.04 0.99 -0.10 0.00 1.01 0.00 0.00 58.87 60.81 1g94 n SER 119 Cb 0.40 -1.49 -0.04 0.00 -1.01 0.00 0.00 64.21 62.07 1g94 n SER 119 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g94 s THR 121 N -3.81 4.52 -0.37 0.00 2.01 -1.26 -0.38 115.64 116.36 1g94 s THR 121 Ca 0.03 -0.15 -0.28 0.00 0.31 0.00 0.00 61.69 61.60 1g94 s THR 121 Cb 0.02 -2.95 0.02 0.00 0.01 0.00 0.00 72.50 69.59 1g94 s THR 121 CO -0.12 0.56 1.05 -0.63 -0.69 0.00 0.00 174.62 174.79 1g94 s ILE 122 N -0.44 4.46 0.30 1.82 1.01 -0.85 -4.79 121.20 122.72 1g94 s ILE 122 Ca 0.09 1.48 -0.08 0.00 0.00 0.00 0.00 60.65 62.13 1g94 s ILE 122 Cb -0.12 -4.44 -0.06 0.00 0.01 0.00 0.00 42.46 37.85 1g94 s ILE 122 CO 0.02 -0.61 0.62 0.20 0.00 0.00 0.00 174.94 175.17 1g94 s ASN 123 N 1.89 6.54 0.43 3.58 0.02 -1.26 -4.83 114.94 121.30 1g94 s ASN 123 Ca 0.44 0.92 0.15 0.00 -1.02 0.00 0.00 52.86 53.35 1g94 s ASN 123 Cb -0.11 -2.23 1.04 0.00 0.02 0.00 0.00 41.25 39.97 1g94 s ASN 123 CO 0.20 -0.21 1.93 -1.13 0.02 0.00 0.00 177.10 177.91 1g94 h ASN 124 N 1.87 0.40 1.18 -1.22 -1.24 -2.03 0.02 115.58 114.56 1g94 h ASN 124 Ca -0.47 0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.56 1g94 h ASN 124 Cb 1.18 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.17 1g94 h ASN 124 CO 0.66 0.21 0.00 0.77 -1.29 0.00 0.00 177.43 177.79 1g94 h SER 125 N 0.43 0.00 -0.29 1.15 4.64 -2.02 -3.10 113.55 114.36 1g94 h SER 125 Ca 0.35 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.64 1g94 h SER 125 Cb 0.77 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 1g94 h SER 125 CO -0.11 0.00 0.11 0.44 -0.87 0.00 0.00 176.83 176.39 1g94 h ASP 126 N 0.00 0.47 -0.90 4.97 3.45 -1.33 -2.65 116.42 120.42 1g94 h ASP 126 Ca 0.00 -0.06 0.08 0.00 0.43 0.00 0.00 57.03 57.49 1g94 h ASP 126 Cb 0.59 -0.12 -0.06 0.00 -0.56 0.00 0.00 39.33 39.18 1g94 h ASP 126 CO 0.00 0.46 0.58 1.88 -1.57 0.00 0.00 179.24 180.59 1g94 h TYR 127 N 0.51 1.01 0.00 4.55 -1.99 -1.66 0.02 116.97 119.41 1g94 h TYR 127 Ca 0.12 0.03 -0.20 0.00 2.00 0.00 0.00 58.73 60.68 1g94 h TYR 127 Cb 0.17 -0.33 -0.03 0.00 2.00 0.00 0.00 36.73 38.54 1g94 h TYR 127 CO 0.01 0.49 -1.13 0.78 -0.00 0.00 0.00 178.16 178.31 1g94 h GLY 128 N 0.96 0.00 -0.19 3.88 0.00 -1.68 0.15 103.07 106.18 1g94 h GLY 128 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1g94 h GLY 128 CO -0.17 0.00 -0.10 1.16 0.00 0.00 0.00 176.54 177.44 1g94 n ASN 129 N -3.17 0.34 -3.33 0.19 2.04 -1.08 -3.99 115.26 106.26 1g94 n ASN 129 Ca -0.05 -1.40 -0.20 0.00 -0.44 0.00 0.00 54.58 52.49 1g94 n ASN 129 Cb 0.90 -0.06 -0.08 0.00 -2.53 0.00 0.00 39.78 38.02 1g94 n ASN 129 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1g94 s ASP 130 N -0.43 1.33 0.26 0.53 -1.08 -0.03 -4.99 116.67 112.26 1g94 s ASP 130 Ca 0.01 -2.02 -0.02 0.00 -0.52 0.00 0.00 52.55 50.00 1g94 s ASP 130 Cb 0.01 0.29 0.45 0.00 -1.46 0.00 0.00 42.92 42.21 1g94 s ASP 130 CO 0.00 -0.23 1.83 -0.09 0.52 0.00 0.00 175.17 177.20 1g94 h ARG 131 N 6.57 0.89 -0.40 4.34 2.43 -1.89 -2.28 114.38 124.04 1g94 h ARG 131 Ca 0.10 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1g94 h ARG 131 Cb 1.01 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.33 1g94 h ARG 131 CO 0.23 0.59 0.20 -0.92 -1.51 0.00 0.00 179.97 178.55 1g94 h TYR 132 N 0.92 0.36 -0.22 2.20 3.20 -1.94 -1.97 116.97 119.53 1g94 h TYR 132 Ca 0.44 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 62.18 1g94 h TYR 132 Cb 0.38 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1g94 h TYR 132 CO -0.03 0.19 -0.47 0.00 -1.64 0.00 0.00 178.16 176.20 1g94 h ARG 133 N 0.40 0.56 -0.51 1.82 3.08 -1.82 0.56 114.38 118.47 1g94 h ARG 133 Ca 0.17 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 1g94 h ARG 133 Cb 0.08 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1g94 h ARG 133 CO -0.12 0.91 0.18 0.28 -1.07 0.00 0.00 179.97 180.15 1g94 h VAL 134 N 0.45 1.20 0.00 2.04 2.07 -1.16 -1.42 116.25 119.42 1g94 h VAL 134 Ca 0.03 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1g94 h VAL 134 Cb 0.99 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1g94 h VAL 134 CO 0.09 0.25 -1.49 0.00 0.02 0.00 0.00 177.57 176.44 1g94 n GLN 135 N -4.33 0.47 -0.00 1.57 6.02 -0.76 -4.54 117.38 115.80 1g94 n GLN 135 Ca 0.04 -0.08 0.03 0.00 -0.01 0.00 0.00 57.00 56.98 1g94 n GLN 135 Cb 0.17 -1.58 -0.04 0.00 1.02 0.00 0.00 30.24 29.81 1g94 n GLN 135 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1g94 n ASN 136 N -2.15 2.62 -4.82 1.08 3.02 0.17 -4.66 115.26 110.52 1g94 n ASN 136 Ca -0.01 -0.19 -0.22 0.00 -0.03 0.00 0.00 54.58 54.13 1g94 n ASN 136 Cb 0.50 1.19 0.08 0.00 -0.61 0.00 0.00 39.78 40.94 1g94 n ASN 136 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1g94 s GLU 138 N -4.94 4.44 -0.35 0.00 2.02 0.49 -4.77 118.70 115.60 1g94 s GLU 138 Ca 0.63 0.92 -0.25 0.00 0.02 0.00 0.00 54.97 56.28 1g94 s GLU 138 Cb -0.07 -3.43 0.01 0.00 0.10 0.00 0.00 34.13 30.74 1g94 s GLU 138 CO 0.41 0.10 0.88 -1.17 0.02 0.00 0.00 175.26 175.50 1g94 s LEU 139 N 0.66 4.04 -1.71 1.80 2.96 -1.26 -2.00 118.68 123.17 1g94 s LEU 139 Ca 0.38 0.61 -0.15 0.00 -0.22 0.00 0.00 54.13 54.75 1g94 s LEU 139 Cb -0.18 -3.20 0.14 0.00 0.50 0.00 0.00 46.19 43.45 1g94 s LEU 139 CO 0.19 -0.77 0.49 1.33 -1.32 0.00 0.00 176.35 176.27 1g94 n VAL 140 N 5.81 -0.84 -0.96 1.68 0.24 -1.26 -1.23 118.33 121.77 1g94 n VAL 140 Ca 0.06 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1g94 n VAL 140 Cb 0.48 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.68 1g94 n VAL 140 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1g94 n GLY 141 N -1.60 0.71 3.71 7.63 0.00 -1.26 -5.01 105.19 109.38 1g94 n GLY 141 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1g94 n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g94 s LEU 142 N 0.00 4.38 -0.12 0.99 1.43 -0.37 -4.45 118.68 120.54 1g94 s LEU 142 Ca 0.00 2.00 -0.31 0.00 -1.03 0.00 0.00 54.13 54.78 1g94 s LEU 142 Cb 0.00 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.55 1g94 s LEU 142 CO 0.00 -0.44 2.04 0.00 0.23 0.00 0.00 176.35 178.17 1g94 n ALA 143 N 3.85 1.35 -2.57 4.21 0.00 -0.92 -4.14 120.51 122.29 1g94 n ALA 143 Ca 0.08 0.08 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 1g94 n ALA 143 Cb 0.47 -2.67 -0.04 0.00 0.00 0.00 0.00 19.45 17.20 1g94 n ALA 143 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1g94 s ASP 144 N 5.71 6.51 0.45 0.00 2.15 -1.26 -1.33 116.67 128.89 1g94 s ASP 144 Ca 0.96 0.14 -0.25 0.00 0.43 0.00 0.00 52.55 53.83 1g94 s ASP 144 Cb -0.54 -2.45 -0.08 0.00 -0.30 0.00 0.00 42.92 39.55 1g94 s ASP 144 CO 0.44 -1.05 1.31 -0.76 -0.17 0.00 0.00 175.17 174.93 1g94 s LEU 145 N 3.77 4.10 -1.11 -1.34 1.43 -0.72 -0.73 118.68 124.08 1g94 s LEU 145 Ca 0.37 2.65 -0.21 0.00 -1.03 0.00 0.00 54.13 55.92 1g94 s LEU 145 Cb -0.10 -4.03 0.06 0.00 0.03 0.00 0.00 46.19 42.15 1g94 s LEU 145 CO 0.26 -1.04 1.52 -0.62 0.23 0.00 0.00 176.35 176.71 1g94 s ASP 146 N -0.85 6.63 0.00 2.29 -1.08 -0.25 -4.56 116.67 118.85 1g94 s ASP 146 Ca 0.61 -1.83 0.15 0.00 -0.52 0.00 0.00 52.55 50.96 1g94 s ASP 146 Cb -0.38 -2.56 0.88 0.00 -1.46 0.00 0.00 42.92 39.40 1g94 s ASP 146 CO 0.47 -1.36 1.36 0.35 0.52 0.00 0.00 175.17 176.51 1g94 n THR 147 N 6.61 0.16 1.05 1.71 -2.24 -1.26 -1.75 114.28 118.55 1g94 n THR 147 Ca 0.38 0.04 0.11 0.00 -2.27 0.00 0.00 64.05 62.31 1g94 n THR 147 Cb 0.49 -0.80 0.11 0.00 -2.10 0.00 0.00 70.33 68.04 1g94 n THR 147 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g94 n ALA 148 N -1.08 3.86 -2.53 6.98 0.00 -1.26 -4.75 120.51 121.74 1g94 n ALA 148 Ca 0.10 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 1g94 n ALA 148 Cb 0.07 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 1g94 n ALA 148 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1g94 s SER 149 N -2.82 7.31 0.25 0.00 0.15 -0.72 -4.95 113.70 112.92 1g94 s SER 149 Ca 0.14 1.80 -0.05 0.00 0.70 0.00 0.00 55.95 58.54 1g94 s SER 149 Cb 0.17 -2.58 0.35 0.00 -1.71 0.00 0.00 66.02 62.25 1g94 s SER 149 CO 0.70 -0.28 1.87 -1.13 1.20 0.00 0.00 173.24 175.59 1g94 h ASN 150 N 6.51 0.92 -0.33 5.45 -1.24 -1.91 -1.29 115.58 123.69 1g94 h ASN 150 Ca -0.42 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 56.59 1g94 h ASN 150 Cb 1.22 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 40.07 1g94 h ASN 150 CO 0.76 0.60 0.15 0.22 -1.29 0.00 0.00 177.43 177.86 1g94 h TYR 151 N 1.06 0.48 -0.39 0.67 3.20 -1.95 -0.95 116.97 119.10 1g94 h TYR 151 Ca 0.39 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.23 1g94 h TYR 151 Cb 0.14 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 1g94 h TYR 151 CO -0.02 0.44 0.23 0.28 -1.64 0.00 0.00 178.16 177.45 1g94 h VAL 152 N 0.39 1.13 -0.80 1.81 2.07 -1.73 -0.94 116.25 118.18 1g94 h VAL 152 Ca 0.11 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1g94 h VAL 152 Cb 0.15 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1g94 h VAL 152 CO -0.01 0.13 0.51 1.56 0.02 0.00 0.00 177.57 179.79 1g94 h GLN 153 N 0.51 1.06 -0.51 1.57 4.20 -1.11 -0.94 115.11 119.89 1g94 h GLN 153 Ca 0.14 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 1g94 h GLN 153 Cb 0.02 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 1g94 h GLN 153 CO -0.03 0.72 -0.02 -0.91 -0.67 0.00 0.00 178.83 177.92 1g94 h ASN 154 N 1.08 0.85 -0.34 1.46 2.35 -0.94 -0.36 115.58 119.68 1g94 h ASN 154 Ca 0.29 -0.23 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 1g94 h ASN 154 Cb -0.10 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 1g94 h ASN 154 CO -0.06 0.92 -0.17 0.74 -1.65 0.00 0.00 177.43 177.21 1g94 h THR 155 N 0.80 1.29 -0.22 2.81 2.02 -0.72 -0.37 112.91 118.52 1g94 h THR 155 Ca 0.15 -1.29 -0.10 0.00 0.77 0.00 0.00 66.41 65.94 1g94 h THR 155 Cb 0.51 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1g94 h THR 155 CO 0.03 0.42 -0.24 0.40 0.37 0.00 0.00 175.52 176.50 1g94 h ILE 156 N 0.49 1.32 -0.58 3.11 2.04 -1.08 -2.94 117.51 119.88 1g94 h ILE 156 Ca 0.07 -1.42 -0.00 0.00 1.00 0.00 0.00 64.86 64.52 1g94 h ILE 156 Cb 0.71 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 1g94 h ILE 156 CO 0.05 0.44 0.35 0.00 0.00 0.00 0.00 178.15 178.99 1g94 h ALA 157 N 0.65 1.54 -0.57 1.87 0.00 -1.02 -1.68 119.26 120.06 1g94 h ALA 157 Ca 0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1g94 h ALA 157 Cb 0.80 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1g94 h ALA 157 CO 0.06 0.41 0.11 0.00 0.00 0.00 0.00 179.25 179.83 1g94 h ALA 158 N 1.60 1.14 -0.17 0.00 0.00 -0.99 0.10 119.26 120.94 1g94 h ALA 158 Ca 0.21 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1g94 h ALA 158 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1g94 h ALA 158 CO -0.04 0.58 0.00 -0.92 0.00 0.00 0.00 179.25 178.87 1g94 h TYR 159 N 0.85 0.33 -0.60 0.00 -0.00 -1.19 -1.34 116.97 115.02 1g94 h TYR 159 Ca 0.18 -0.06 -0.03 0.00 -0.00 0.00 0.00 58.73 58.82 1g94 h TYR 159 Cb 0.34 -0.09 -0.03 0.00 -0.00 0.00 0.00 36.73 36.96 1g94 h TYR 159 CO 0.02 0.50 0.24 0.82 -0.00 0.00 0.00 178.16 179.74 1g94 h ILE 160 N 0.06 1.23 -0.02 1.81 2.04 -1.02 -1.70 117.51 119.90 1g94 h ILE 160 Ca 0.05 -0.71 -0.10 0.00 1.00 0.00 0.00 64.86 65.10 1g94 h ILE 160 Cb 0.37 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1g94 h ILE 160 CO 0.01 0.28 -0.45 0.78 0.00 0.00 0.00 178.15 178.76 1g94 h ASN 161 N 0.83 0.06 -0.30 1.72 2.35 -0.78 -1.52 115.58 117.94 1g94 h ASN 161 Ca 0.20 -0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.78 1g94 h ASN 161 Cb 0.20 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1g94 h ASN 161 CO -0.02 0.51 -0.36 -0.78 -1.65 0.00 0.00 177.43 175.13 1g94 h ASP 162 N 0.05 0.89 -0.52 5.81 1.82 -0.93 -2.06 116.42 121.49 1g94 h ASP 162 Ca 0.00 -0.39 -0.11 0.00 -0.39 0.00 0.00 57.03 56.14 1g94 h ASP 162 Cb 0.82 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.57 1g94 h ASP 162 CO 0.06 1.15 -0.10 -0.07 -1.61 0.00 0.00 179.24 178.68 1g94 h LEU 163 N 0.70 0.98 -1.35 2.28 3.38 -0.85 -2.72 115.31 117.73 1g94 h LEU 163 Ca 0.06 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1g94 h LEU 163 Cb 0.93 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1g94 h LEU 163 CO 0.09 1.10 0.09 1.56 0.09 0.00 0.00 178.44 181.37 1g94 h GLN 164 N 0.84 0.53 -0.12 1.13 4.20 -1.12 -1.79 115.11 118.78 1g94 h GLN 164 Ca 0.13 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1g94 h GLN 164 Cb 0.66 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1g94 h GLN 164 CO 0.05 0.49 -0.22 0.00 -0.67 0.00 0.00 178.83 178.48 1g94 h ALA 165 N 1.58 1.40 0.00 3.87 0.00 -1.08 -1.44 119.26 123.60 1g94 h ALA 165 Ca 0.12 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1g94 h ALA 165 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1g94 h ALA 165 CO -0.00 0.42 -0.44 0.82 0.00 0.00 0.00 179.25 180.04 1g94 h ILE 166 N 0.20 0.91 0.00 0.00 2.04 -1.11 -3.47 117.51 116.07 1g94 h ILE 166 Ca 0.03 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 64.08 1g94 h ILE 166 Cb 0.50 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1g94 h ILE 166 CO 0.03 0.43 0.00 0.61 0.00 0.00 0.00 178.15 179.22 1g94 n GLY 167 N 0.58 0.43 3.72 5.37 0.00 -0.54 -4.85 105.19 109.91 1g94 n GLY 167 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1g94 n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g94 s VAL 168 N -1.40 2.69 -0.54 1.61 1.01 -0.74 -4.80 120.40 118.21 1g94 s VAL 168 Ca 0.00 0.51 0.22 0.00 0.00 0.00 0.00 61.98 62.70 1g94 s VAL 168 Cb 0.00 -3.33 -0.27 0.00 0.00 0.00 0.00 36.38 32.79 1g94 s VAL 168 CO 0.00 0.05 0.73 0.29 0.00 0.00 0.00 175.10 176.17 1g94 n LYS 169 N 3.67 0.31 -3.92 2.72 4.76 -0.84 -4.30 118.16 120.56 1g94 n LYS 169 Ca 0.12 -0.09 -0.09 0.00 -2.87 0.00 0.00 58.31 55.39 1g94 n LYS 169 Cb 0.39 -1.52 -0.05 0.00 -1.84 0.00 0.00 35.03 32.01 1g94 n LYS 169 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1g94 s GLY 170 N -3.72 0.33 -0.06 0.72 0.00 -1.04 -1.85 107.32 101.70 1g94 s GLY 170 Ca 0.01 -0.68 -0.06 0.00 0.00 0.00 0.00 44.72 43.99 1g94 s GLY 170 CO 0.88 -0.54 0.16 -1.36 0.00 0.00 0.00 173.10 172.24 1g94 s PHE 171 N -3.97 -0.17 -0.27 1.90 0.40 0.27 -1.00 117.98 115.15 1g94 s PHE 171 Ca 0.17 0.41 -0.10 0.00 -0.60 0.00 0.00 56.93 56.81 1g94 s PHE 171 Cb -0.00 0.06 -0.05 0.00 0.51 0.00 0.00 43.02 43.54 1g94 s PHE 171 CO 0.04 -0.09 0.16 0.50 0.70 0.00 0.00 175.22 176.53 1g94 s ARG 172 N 0.03 3.89 -0.66 0.44 3.52 -0.30 -1.53 118.95 124.35 1g94 s ARG 172 Ca -0.00 -0.35 -0.22 0.00 -0.13 0.00 0.00 55.73 55.03 1g94 s ARG 172 Cb -0.01 -3.58 0.08 0.00 -1.56 0.00 0.00 34.95 29.88 1g94 s ARG 172 CO 0.00 -0.17 0.92 -0.06 -0.81 0.00 0.00 175.30 175.18 1g94 s PHE 173 N 1.70 2.76 0.38 5.12 0.40 0.35 -0.30 117.98 128.39 1g94 s PHE 173 Ca 0.07 -0.67 -0.27 0.00 -0.60 0.00 0.00 56.93 55.45 1g94 s PHE 173 Cb -0.16 -4.24 -0.10 0.00 0.51 0.00 0.00 43.02 39.04 1g94 s PHE 173 CO 0.09 -1.57 1.34 0.34 0.70 0.00 0.00 175.22 176.12 1g94 s ASP 174 N 3.67 6.45 -1.49 1.36 -1.08 -0.38 -1.95 116.67 123.25 1g94 s ASP 174 Ca 0.20 2.75 -0.12 0.00 -0.52 0.00 0.00 52.55 54.86 1g94 s ASP 174 Cb -0.18 -2.65 0.08 0.00 -1.46 0.00 0.00 42.92 38.71 1g94 s ASP 174 CO 0.09 -0.77 0.86 0.00 0.52 0.00 0.00 175.17 175.87 1g94 n ALA 175 N 0.39 -1.20 0.11 3.66 0.00 -1.26 -4.22 120.51 117.99 1g94 n ALA 175 Ca 0.02 0.19 0.06 0.00 0.00 0.00 0.00 53.44 53.71 1g94 n ALA 175 Cb 0.42 -4.14 0.53 0.00 0.00 0.00 0.00 19.45 16.26 1g94 n ALA 175 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1g94 h SER 176 N -1.81 0.24 -0.30 0.00 0.02 -1.54 -0.79 113.55 109.38 1g94 h SER 176 Ca -0.55 -0.01 0.09 0.00 -0.84 0.00 0.00 61.79 60.48 1g94 h SER 176 Cb 1.36 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 1g94 h SER 176 CO 0.64 0.17 0.23 0.50 -1.14 0.00 0.00 176.83 177.23 1g94 h LYS 177 N 0.29 0.00 -0.08 3.45 3.64 -1.89 -1.46 116.57 120.51 1g94 h LYS 177 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1g94 h LYS 177 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1g94 h LYS 177 CO -0.02 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.88 1g94 n HIS 178 N -4.31 0.11 -4.59 1.91 8.25 -0.30 -4.70 115.22 111.59 1g94 n HIS 178 Ca 0.04 -0.05 -0.24 0.00 -0.26 0.00 0.00 57.72 57.21 1g94 n HIS 178 Cb 0.39 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.34 1g94 n HIS 178 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1g94 s VAL 179 N -1.89 1.12 0.30 1.59 1.01 -0.55 -4.43 120.40 117.56 1g94 s VAL 179 Ca 0.23 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 1g94 s VAL 179 Cb 0.11 -1.02 -0.12 0.00 0.00 0.00 0.00 36.38 35.36 1g94 s VAL 179 CO 0.18 0.35 1.43 0.00 0.00 0.00 0.00 175.10 177.05 1g94 n ALA 180 N 3.64 1.70 -0.07 5.51 0.00 -1.26 -4.86 120.51 125.17 1g94 n ALA 180 Ca -0.22 0.38 0.09 0.00 0.00 0.00 0.00 53.44 53.69 1g94 n ALA 180 Cb 0.52 -2.34 0.46 0.00 0.00 0.00 0.00 19.45 18.09 1g94 n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g94 h ALA 181 N 3.66 1.87 -0.20 0.00 0.00 -1.88 -0.48 119.26 122.23 1g94 h ALA 181 Ca -0.47 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1g94 h ALA 181 Cb 1.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1g94 h ALA 181 CO 0.71 0.03 -0.15 0.66 0.00 0.00 0.00 179.25 180.50 1g94 h SER 182 N 0.50 0.32 -0.18 0.00 4.64 -1.92 0.16 113.55 117.07 1g94 h SER 182 Ca 0.24 -0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 61.34 1g94 h SER 182 Cb 0.32 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1g94 h SER 182 CO -0.07 0.50 -0.43 0.44 -0.87 0.00 0.00 176.83 176.40 1g94 h ASP 183 N 0.31 0.78 0.20 4.97 3.45 -1.43 -1.94 116.42 122.76 1g94 h ASP 183 Ca 0.06 -0.37 -0.10 0.00 0.43 0.00 0.00 57.03 57.05 1g94 h ASP 183 Cb 0.45 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.99 1g94 h ASP 183 CO 0.03 1.10 -0.39 0.40 -1.57 0.00 0.00 179.24 178.81 1g94 h ILE 184 N 0.59 1.30 -0.51 0.35 2.04 -0.77 -1.49 117.51 119.02 1g94 h ILE 184 Ca 0.04 -1.48 -0.06 0.00 1.00 0.00 0.00 64.86 64.36 1g94 h ILE 184 Cb 0.98 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 1g94 h ILE 184 CO 0.09 0.44 0.07 1.56 0.00 0.00 0.00 178.15 180.32 1g94 h GLN 185 N 0.22 0.85 -0.50 2.37 4.20 -0.75 -0.78 115.11 120.72 1g94 h GLN 185 Ca 0.02 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.45 1g94 h GLN 185 Cb 0.79 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1g94 h GLN 185 CO 0.06 0.85 0.13 0.77 -0.67 0.00 0.00 178.83 179.97 1g94 h SER 186 N 0.72 0.76 -0.47 1.46 0.02 -1.17 -2.76 113.55 112.11 1g94 h SER 186 Ca 0.15 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1g94 h SER 186 Cb 0.42 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1g94 h SER 186 CO 0.01 0.79 0.29 0.25 -1.14 0.00 0.00 176.83 177.03 1g94 h LEU 187 N 0.69 0.56 -1.80 5.07 5.85 -1.07 -2.85 115.31 121.76 1g94 h LEU 187 Ca 0.16 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1g94 h LEU 187 Cb 0.32 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1g94 h LEU 187 CO 0.00 0.44 -0.12 0.24 -0.34 0.00 0.00 178.44 178.66 1g94 h MET 188 N 0.63 0.00 0.00 1.25 2.86 -0.95 -0.92 114.93 117.80 1g94 h MET 188 Ca 0.17 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1g94 h MET 188 Cb -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 1g94 h MET 188 CO -0.03 0.12 -0.04 0.00 1.06 0.00 0.00 176.91 178.02 1g94 h ALA 189 N 1.88 1.08 -0.00 6.32 0.00 -1.24 -1.80 119.26 125.49 1g94 h ALA 189 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1g94 h ALA 189 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1g94 h ALA 189 CO 0.02 0.05 -0.60 1.63 0.00 0.00 0.00 179.25 180.34 1g94 n LYS 190 N -3.25 0.44 -3.21 0.00 5.02 -0.36 -4.89 118.16 111.92 1g94 n LYS 190 Ca -0.01 -0.32 -0.39 0.00 -2.02 0.00 0.00 58.31 55.57 1g94 n LYS 190 Cb 0.21 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.67 1g94 n LYS 190 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1g94 s VAL 191 N -2.78 5.07 0.39 -0.18 1.01 -0.68 -4.90 120.40 118.32 1g94 s VAL 191 Ca 0.14 1.18 -0.25 0.00 0.00 0.00 0.00 61.98 63.05 1g94 s VAL 191 Cb 0.18 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.55 1g94 s VAL 191 CO 0.69 0.33 1.12 0.20 0.00 0.00 0.00 175.10 177.44 1g94 s ASN 192 N 0.42 6.66 0.80 3.32 0.01 -1.26 -4.87 114.94 120.03 1g94 s ASN 192 Ca 0.31 2.24 0.00 0.00 -0.71 0.00 0.00 52.86 54.70 1g94 s ASN 192 Cb -0.17 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.89 1g94 s ASN 192 CO 0.15 -0.57 0.00 0.61 -1.51 0.00 0.00 177.10 175.78 1g94 n GLY 193 N 0.60 0.72 2.30 0.66 0.00 -1.26 -4.53 105.19 103.69 1g94 n GLY 193 Ca 0.04 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 1g94 n GLY 193 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1g94 n SER 194 N -2.23 -0.29 -4.71 1.61 3.41 -1.26 -5.13 113.62 105.03 1g94 n SER 194 Ca 0.00 -2.62 -0.29 0.00 -0.26 0.00 0.00 58.87 55.70 1g94 n SER 194 Cb 0.00 -0.44 0.15 0.00 -0.26 0.00 0.00 64.21 63.67 1g94 n SER 194 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1g94 s PRO 195 N -0.62 0.92 -0.06 4.33 0.04 -1.26 -4.97 135.00 133.38 1g94 s PRO 195 Ca 0.34 0.64 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 1g94 s PRO 195 Cb 0.12 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.85 1g94 s PRO 195 CO -0.15 -2.42 1.09 0.08 0.04 0.00 0.00 177.00 175.64 1g94 s VAL 196 N -2.98 4.54 -0.06 -0.36 1.01 -0.77 -4.96 120.40 116.81 1g94 s VAL 196 Ca 0.64 1.83 0.03 0.00 0.00 0.00 0.00 61.98 64.48 1g94 s VAL 196 Cb -0.18 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.04 1g94 s VAL 196 CO 0.57 0.03 -0.14 -0.69 0.00 0.00 0.00 175.10 174.87 1g94 s VAL 197 N 1.85 1.27 -0.04 2.92 1.01 -1.26 -0.56 120.40 125.59 1g94 s VAL 197 Ca 0.52 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1g94 s VAL 197 Cb -0.22 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1g94 s VAL 197 CO 0.22 0.38 -0.10 0.72 0.00 0.00 0.00 175.10 176.32 1g94 s PHE 198 N 0.48 1.08 -0.18 5.22 -0.12 -0.58 -0.99 117.98 122.90 1g94 s PHE 198 Ca -0.12 -0.31 -0.07 0.00 -0.05 0.00 0.00 56.93 56.37 1g94 s PHE 198 Cb -0.15 -0.80 -0.04 0.00 -0.63 0.00 0.00 43.02 41.40 1g94 s PHE 198 CO 0.04 -0.16 0.07 -0.65 -0.05 0.00 0.00 175.22 174.47 1g94 s GLN 199 N 0.40 3.95 -0.56 1.99 -0.21 0.24 -0.49 119.66 124.99 1g94 s GLN 199 Ca -0.07 -0.32 -0.26 0.00 0.02 0.00 0.00 55.36 54.72 1g94 s GLN 199 Cb -0.11 -3.22 0.04 0.00 1.00 0.00 0.00 33.01 30.71 1g94 s GLN 199 CO 0.01 0.31 1.05 -2.00 -2.12 0.00 0.00 175.29 172.54 1g94 s GLU 200 N 0.27 3.43 -0.13 2.91 2.12 -0.82 -1.83 118.70 124.65 1g94 s GLU 200 Ca 0.04 0.00 -0.02 0.00 0.36 0.00 0.00 54.97 55.35 1g94 s GLU 200 Cb -0.12 -4.02 0.04 0.00 0.26 0.00 0.00 34.13 30.29 1g94 s GLU 200 CO 0.00 -1.55 0.02 0.08 -0.54 0.00 0.00 175.26 173.27 1g94 s VAL 201 N 4.37 0.46 -0.43 3.70 1.01 -1.26 -2.45 120.40 125.80 1g94 s VAL 201 Ca 0.37 -0.21 -0.21 0.00 0.00 0.00 0.00 61.98 61.92 1g94 s VAL 201 Cb -0.10 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.52 1g94 s VAL 201 CO 0.23 0.04 0.69 -0.63 0.00 0.00 0.00 175.10 175.42 1g94 s ILE 202 N 1.91 4.78 -0.24 2.22 1.01 -1.26 -4.59 121.20 125.03 1g94 s ILE 202 Ca 0.02 0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.94 1g94 s ILE 202 Cb -0.15 -4.22 0.08 0.00 0.01 0.00 0.00 42.46 38.18 1g94 s ILE 202 CO -0.07 -0.59 0.09 -0.62 0.00 0.00 0.00 174.94 173.76 1g94 s ASP 203 N 2.01 3.15 0.00 3.58 3.68 -1.26 -4.95 116.67 122.88 1g94 s ASP 203 Ca 0.25 -1.06 0.21 0.00 2.13 0.00 0.00 52.55 54.08 1g94 s ASP 203 Cb -0.13 -0.45 0.31 0.00 -1.45 0.00 0.00 42.92 41.19 1g94 s ASP 203 CO 0.19 -0.38 1.28 0.00 0.13 0.00 0.00 175.17 176.39 1g94 n GLN 204 N 5.16 2.21 0.00 4.34 1.13 -1.26 -4.58 117.38 124.37 1g94 n GLN 204 Ca -0.06 -2.03 0.00 0.00 -1.94 0.00 0.00 57.00 52.97 1g94 n GLN 204 Cb 0.45 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.36 1g94 n GLN 204 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1g94 n GLY 205 N 1.27 2.74 2.95 1.08 0.00 -1.26 -5.02 105.19 106.95 1g94 n GLY 205 Ca 0.16 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1g94 n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g94 n GLY 206 N 0.61 0.73 3.87 -0.02 0.00 -1.26 -5.02 105.19 104.09 1g94 n GLY 206 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1g94 n GLY 206 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g94 s GLU 207 N -0.22 3.69 0.28 1.61 0.41 -1.26 -4.66 118.70 118.55 1g94 s GLU 207 Ca 0.00 0.72 0.14 0.00 -0.41 0.00 0.00 54.97 55.42 1g94 s GLU 207 Cb 0.00 -2.14 0.30 0.00 -1.78 0.00 0.00 34.13 30.51 1g94 s GLU 207 CO 0.00 -0.43 1.55 0.00 -0.49 0.00 0.00 175.26 175.90 1g94 h ALA 208 N 0.12 0.79 -3.04 5.21 0.00 -0.83 -3.42 119.26 118.09 1g94 h ALA 208 Ca -0.45 -0.52 -0.67 0.00 0.00 0.00 0.00 54.91 53.27 1g94 h ALA 208 Cb 1.19 -0.09 -0.32 0.00 0.00 0.00 0.00 17.79 18.57 1g94 h ALA 208 CO 0.62 0.72 -0.81 0.08 0.00 0.00 0.00 179.25 179.86 1g94 s VAL 209 N -3.28 2.58 0.18 0.00 1.01 -1.26 -4.86 120.40 114.78 1g94 s VAL 209 Ca 0.01 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1g94 s VAL 209 Cb 0.10 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1g94 s VAL 209 CO 0.74 0.49 0.25 -0.83 0.00 0.00 0.00 175.10 175.75 1g94 s GLY 210 N 1.33 1.58 0.42 4.51 0.00 -1.26 -4.96 107.32 108.94 1g94 s GLY 210 Ca 0.05 -1.17 0.14 0.00 0.00 0.00 0.00 44.72 43.74 1g94 s GLY 210 CO -0.09 -1.18 1.94 0.00 0.00 0.00 0.00 173.10 173.78 1g94 h ALA 211 N 1.95 1.60 0.00 3.20 0.00 -1.93 -2.73 119.26 121.35 1g94 h ALA 211 Ca -0.49 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 1g94 h ALA 211 Cb 1.21 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1g94 h ALA 211 CO 0.65 0.30 -0.00 0.66 0.00 0.00 0.00 179.25 180.85 1g94 h SER 212 N 0.00 0.00 0.85 0.00 4.64 -2.01 -1.66 113.55 115.37 1g94 h SER 212 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1g94 h SER 212 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1g94 h SER 212 CO 0.03 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.67 1g94 h GLU 213 N 0.00 0.00 -0.45 4.77 5.08 -1.91 -3.11 114.58 118.96 1g94 h GLU 213 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1g94 h GLU 213 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1g94 h GLU 213 CO 0.00 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 1g94 n TYR 214 N -2.94 0.59 0.20 4.33 4.01 -0.63 -4.58 117.16 118.15 1g94 n TYR 214 Ca 0.00 -0.35 0.05 0.00 -0.16 0.00 0.00 57.90 57.44 1g94 n TYR 214 Cb 0.26 -0.01 0.44 0.00 -0.31 0.00 0.00 39.34 39.73 1g94 n TYR 214 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1g94 h LEU 215 N 3.78 0.00 -0.22 7.72 3.38 -1.65 -2.84 115.31 125.47 1g94 h LEU 215 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1g94 h LEU 215 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1g94 h LEU 215 CO 0.00 0.30 0.00 0.77 0.09 0.00 0.00 178.44 179.60 1g94 h SER 216 N 0.00 0.00 -0.04 -0.43 4.64 -1.84 -3.29 113.55 112.58 1g94 h SER 216 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1g94 h SER 216 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1g94 h SER 216 CO 0.04 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.35 1g94 n THR 217 N -2.96 0.02 -2.02 2.95 -2.24 -1.07 -5.06 114.28 103.90 1g94 n THR 217 Ca 0.04 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1g94 n THR 217 Cb 0.48 1.34 0.00 0.00 -2.10 0.00 0.00 70.33 70.05 1g94 n THR 217 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g94 n GLY 218 N 1.33 -0.28 3.81 3.38 0.00 -1.22 -4.89 105.19 107.31 1g94 n GLY 218 Ca 0.15 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.30 1g94 n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g94 s LEU 219 N 0.00 3.20 -0.00 0.99 1.43 -0.16 -4.48 118.68 119.65 1g94 s LEU 219 Ca 0.00 1.68 0.02 0.00 -1.03 0.00 0.00 54.13 54.80 1g94 s LEU 219 Cb 0.00 -4.51 -0.01 0.00 0.03 0.00 0.00 46.19 41.71 1g94 s LEU 219 CO 0.00 -1.45 -0.07 -0.69 0.23 0.00 0.00 176.35 174.37 1g94 s VAL 220 N -2.91 0.57 0.02 -1.59 1.01 0.03 -0.59 120.40 116.95 1g94 s VAL 220 Ca 0.59 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1g94 s VAL 220 Cb -0.15 -0.50 -0.07 0.00 0.00 0.00 0.00 36.38 35.67 1g94 s VAL 220 CO 0.51 0.12 1.57 0.42 0.00 0.00 0.00 175.10 177.72 1g94 s THR 221 N -0.26 3.36 -0.91 3.92 -4.23 -0.76 -1.66 115.64 115.10 1g94 s THR 221 Ca 0.02 0.73 -0.15 0.00 -1.18 0.00 0.00 61.69 61.11 1g94 s THR 221 Cb -0.03 -3.47 0.20 0.00 1.34 0.00 0.00 72.50 70.53 1g94 s THR 221 CO -0.00 -0.01 0.94 -0.70 -0.54 0.00 0.00 174.62 174.31 1g94 s GLU 222 N 2.80 3.69 0.53 3.99 2.56 -0.28 -4.53 118.70 127.45 1g94 s GLU 222 Ca 0.70 -2.33 0.35 0.00 0.00 0.00 0.00 54.97 53.69 1g94 s GLU 222 Cb -0.36 -4.62 1.62 0.00 2.00 0.00 0.00 34.13 32.78 1g94 s GLU 222 CO 0.30 -1.46 2.04 0.74 -0.56 0.00 0.00 175.26 176.32 1g94 h PHE 223 N 7.96 0.00 -0.00 5.30 0.04 -1.86 -2.64 116.94 125.74 1g94 h PHE 223 Ca 0.14 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.85 1g94 h PHE 223 Cb 1.01 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.15 1g94 h PHE 223 CO 1.05 0.00 -0.28 0.87 -0.60 0.00 0.00 178.31 179.35 1g94 h LYS 224 N 0.00 0.00 0.26 1.51 1.57 -1.91 -2.75 116.57 115.26 1g94 h LYS 224 Ca 0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1g94 h LYS 224 Cb 0.30 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1g94 h LYS 224 CO 0.00 0.28 -0.12 -0.92 -0.57 0.00 0.00 179.45 178.12 1g94 h TYR 225 N 0.00 -0.32 -0.57 -1.35 5.03 -1.83 0.11 116.97 118.04 1g94 h TYR 225 Ca -0.00 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.31 1g94 h TYR 225 Cb 0.50 0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.85 1g94 h TYR 225 CO 0.00 -0.15 0.37 1.03 -1.32 0.00 0.00 178.16 178.09 1g94 h SER 226 N -0.41 0.64 -0.10 -2.11 0.87 -1.60 -0.85 113.55 109.99 1g94 h SER 226 Ca -0.04 -0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.30 1g94 h SER 226 Cb 0.31 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1g94 h SER 226 CO 0.06 0.46 -0.75 0.71 -0.53 0.00 0.00 176.83 176.78 1g94 h THR 227 N 0.75 1.31 -0.05 2.23 1.35 -1.40 -2.27 112.91 114.83 1g94 h THR 227 Ca 0.21 -1.99 -0.14 0.00 -0.55 0.00 0.00 66.41 63.94 1g94 h THR 227 Cb -0.06 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 1g94 h THR 227 CO -0.06 0.62 -0.60 -0.33 -0.25 0.00 0.00 175.52 174.90 1g94 h GLU 228 N 0.36 0.19 -0.30 4.72 4.39 -0.74 -0.57 114.58 122.63 1g94 h GLU 228 Ca -0.06 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.42 1g94 h GLU 228 Cb 1.39 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.05 1g94 h GLU 228 CO 0.15 0.73 -0.18 1.25 -1.16 0.00 0.00 179.01 179.81 1g94 h LEU 229 N 0.14 0.67 -0.48 1.33 5.85 -1.18 -0.79 115.31 120.84 1g94 h LEU 229 Ca -0.01 -0.42 -0.05 0.00 0.84 0.00 0.00 57.88 58.24 1g94 h LEU 229 Cb 1.09 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1g94 h LEU 229 CO 0.09 0.95 0.12 1.23 -0.34 0.00 0.00 178.44 180.48 1g94 h GLY 230 N 0.39 0.83 1.20 3.75 0.00 -1.27 -0.91 103.07 107.06 1g94 h GLY 230 Ca 0.06 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 1g94 h GLY 230 CO 0.05 0.49 -0.04 -0.57 0.00 0.00 0.00 176.54 176.47 1g94 h ASN 231 N 0.66 0.93 -0.19 0.19 -0.73 -1.02 -1.70 115.58 113.72 1g94 h ASN 231 Ca 0.15 -0.27 -0.09 0.00 1.87 0.00 0.00 56.30 57.96 1g94 h ASN 231 Cb 0.33 -0.25 -0.00 0.00 0.27 0.00 0.00 38.32 38.67 1g94 h ASN 231 CO 0.00 1.01 -0.24 0.74 -0.37 0.00 0.00 177.43 178.57 1g94 h THR 232 N 0.87 1.33 0.00 -3.57 2.02 -1.02 0.95 112.91 113.49 1g94 h THR 232 Ca 0.15 -1.43 -0.07 0.00 0.77 0.00 0.00 66.41 65.84 1g94 h THR 232 Cb 0.56 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1g94 h THR 232 CO 0.03 0.44 -0.32 -0.26 0.37 0.00 0.00 175.52 175.78 1g94 h PHE 233 N 0.17 0.00 0.01 3.16 -1.00 -1.12 -1.09 116.94 117.07 1g94 h PHE 233 Ca 0.03 0.00 -0.31 0.00 2.81 0.00 0.00 57.97 60.49 1g94 h PHE 233 Cb 0.80 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.32 1g94 h PHE 233 CO 0.08 0.32 -1.70 0.54 -1.61 0.00 0.00 178.31 175.94 1g94 n ARG 234 N -4.00 0.58 -0.04 1.51 1.74 -0.64 -4.74 116.66 111.06 1g94 n ARG 234 Ca -0.02 0.46 0.04 0.00 -0.77 0.00 0.00 57.85 57.56 1g94 n ARG 234 Cb 0.38 -1.67 0.06 0.00 -1.02 0.00 0.00 32.46 30.21 1g94 n ARG 234 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1g94 n ASN 235 N -4.31 1.99 0.00 0.55 5.03 0.31 -5.06 115.26 113.76 1g94 n ASN 235 Ca -0.39 -1.57 0.00 0.00 0.87 0.00 0.00 54.58 53.49 1g94 n ASN 235 Cb 0.77 -0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.47 1g94 n ASN 235 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1g94 n GLY 236 N 0.32 5.70 3.33 7.41 0.00 -0.41 -4.96 105.19 116.57 1g94 n GLY 236 Ca 0.06 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 1g94 n GLY 236 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1g94 s SER 237 N 1.00 3.54 0.55 1.61 0.01 -1.25 -4.83 113.70 114.33 1g94 s SER 237 Ca 0.00 -0.40 0.28 0.00 1.31 0.00 0.00 55.95 57.13 1g94 s SER 237 Cb 0.00 -1.17 1.59 0.00 0.21 0.00 0.00 66.02 66.65 1g94 s SER 237 CO 0.00 0.23 2.15 -0.07 0.41 0.00 0.00 173.24 175.95 1g94 h LEU 238 N 6.22 0.00 -2.64 2.44 3.38 -1.61 -2.07 115.31 121.04 1g94 h LEU 238 Ca -0.31 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.67 1g94 h LEU 238 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1g94 h LEU 238 CO 0.50 0.07 0.05 0.00 0.09 0.00 0.00 178.44 179.15 1g94 h ALA 239 N 1.93 1.32 0.00 1.53 0.00 -1.57 -0.83 119.26 121.64 1g94 h ALA 239 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1g94 h ALA 239 Cb 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1g94 h ALA 239 CO 0.01 -0.06 -0.03 -1.49 0.00 0.00 0.00 179.25 177.68 1g94 h TRP 240 N 0.00 0.00 0.00 0.00 6.55 -1.67 -3.17 115.95 117.66 1g94 h TRP 240 Ca 0.01 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.85 1g94 h TRP 240 Cb 0.11 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.41 1g94 h TRP 240 CO 0.00 0.03 0.00 1.28 -1.05 0.00 0.00 178.44 178.70 1g94 n LEU 241 N -3.13 0.00 0.25 -4.49 4.77 -0.32 -4.07 117.00 110.00 1g94 n LEU 241 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.16 1g94 n LEU 241 Cb 0.31 0.00 0.86 0.00 -2.33 0.00 0.00 43.42 42.26 1g94 n LEU 241 CO 0.28 0.00 1.15 0.77 -1.33 0.00 0.00 177.39 178.26 1g94 h SER 242 N 0.00 0.00 0.00 -1.43 4.64 -1.76 -1.52 113.55 113.48 1g94 h SER 242 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1g94 h SER 242 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 1g94 h SER 242 CO 0.00 0.00 -0.60 -0.46 -0.87 0.00 0.00 176.83 174.90 1g94 n ASN 243 N -3.35 1.38 -4.61 4.97 6.94 -1.26 -5.09 115.26 114.25 1g94 n ASN 243 Ca 0.01 -2.96 -0.41 0.00 -0.02 0.00 0.00 54.58 51.21 1g94 n ASN 243 Cb 0.37 -0.40 0.02 0.00 -2.36 0.00 0.00 39.78 37.41 1g94 n ASN 243 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1g94 n PHE 244 N -0.52 1.05 0.00 -2.53 -0.00 -0.58 -3.73 117.46 111.15 1g94 n PHE 244 Ca 0.12 0.53 0.00 0.00 -0.00 0.00 0.00 57.45 58.10 1g94 n PHE 244 Cb 0.83 -2.20 0.00 0.00 -0.00 0.00 0.00 39.48 38.11 1g94 n PHE 244 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1g94 n GLY 245 N 1.22 0.28 0.38 7.13 0.00 -1.26 -4.63 105.19 108.31 1g94 n GLY 245 Ca 0.10 -1.65 0.17 0.00 0.00 0.00 0.00 46.02 44.64 1g94 n GLY 245 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1g94 h GLU 246 N 0.00 0.27 0.00 1.61 3.07 -1.81 -0.06 114.58 117.65 1g94 h GLU 246 Ca 0.00 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1g94 h GLU 246 Cb 0.00 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 27.85 1g94 h GLU 246 CO 0.00 0.18 -0.02 0.78 -1.40 0.00 0.00 179.01 178.55 1g94 h GLY 247 N 0.28 0.00 -1.56 -3.84 0.00 -1.82 -0.94 103.07 95.18 1g94 h GLY 247 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1g94 h GLY 247 CO -0.07 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.26 1g94 n TRP 248 N -4.21 0.39 -0.19 5.60 7.02 -0.05 -4.92 117.44 121.06 1g94 n TRP 248 Ca -0.03 -0.19 0.00 0.00 -1.02 0.00 0.00 57.50 56.26 1g94 n TRP 248 Cb 0.11 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.00 1g94 n TRP 248 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1g94 n GLY 249 N 1.30 0.86 3.81 6.99 0.00 -0.36 -5.00 105.19 112.80 1g94 n GLY 249 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1g94 n GLY 249 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1g94 s PHE 250 N -2.05 2.93 0.97 1.61 2.99 -1.10 -4.99 117.98 118.34 1g94 s PHE 250 Ca 0.00 1.22 -0.12 0.00 0.00 0.00 0.00 56.93 58.02 1g94 s PHE 250 Cb 0.00 -3.05 0.17 0.00 0.00 0.00 0.00 43.02 40.14 1g94 s PHE 250 CO 0.00 -1.60 1.10 0.00 -0.00 0.00 0.00 175.22 174.72 1g94 s MET 251 N -5.14 0.68 0.25 0.44 0.23 -1.26 -4.34 119.30 110.16 1g94 s MET 251 Ca 0.60 0.57 -0.30 0.00 -1.03 0.00 0.00 55.69 55.53 1g94 s MET 251 Cb -0.14 -1.76 -0.14 0.00 -1.53 0.00 0.00 34.83 31.26 1g94 s MET 251 CO 0.54 -2.58 1.25 -2.30 -2.03 0.00 0.00 175.02 169.91 1g94 n PRO 252 N -4.08 1.73 -0.28 3.16 -0.02 -1.26 -4.59 135.00 129.66 1g94 n PRO 252 Ca 0.06 0.61 0.06 0.00 -2.02 0.00 0.00 63.50 62.21 1g94 n PRO 252 Cb 0.57 -2.16 0.21 0.00 -0.02 0.00 0.00 33.50 32.09 1g94 n PRO 252 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1g94 h SER 253 N 3.29 0.41 0.26 2.55 0.87 -1.95 -0.93 113.55 118.05 1g94 h SER 253 Ca -0.44 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1g94 h SER 253 Cb 1.30 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1g94 h SER 253 CO 0.69 0.17 0.00 -1.54 -0.53 0.00 0.00 176.83 175.62 1g94 n SER 254 N -4.93 0.00 -0.05 6.23 3.41 -1.26 -2.53 113.62 114.49 1g94 n SER 254 Ca 0.16 -0.04 0.05 0.00 -0.26 0.00 0.00 58.87 58.77 1g94 n SER 254 Cb 0.43 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 1g94 n SER 254 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1g94 n SER 255 N -1.24 0.62 -4.82 4.04 7.64 -0.37 -4.98 113.62 114.50 1g94 n SER 255 Ca 0.09 -0.81 -0.37 0.00 1.01 0.00 0.00 58.87 58.78 1g94 n SER 255 Cb 0.12 0.88 -0.06 0.00 -1.01 0.00 0.00 64.21 64.14 1g94 n SER 255 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g94 s ALA 256 N -1.77 3.73 -0.19 -0.43 0.00 -1.05 -0.79 121.76 121.25 1g94 s ALA 256 Ca 0.05 -0.40 -0.06 0.00 0.00 0.00 0.00 51.96 51.54 1g94 s ALA 256 Cb 0.07 -2.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.90 1g94 s ALA 256 CO 0.36 0.43 0.02 0.08 0.00 0.00 0.00 175.76 176.65 1g94 s VAL 257 N -0.68 4.26 0.27 0.00 1.01 -0.67 -1.09 120.40 123.51 1g94 s VAL 257 Ca 0.19 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.04 1g94 s VAL 257 Cb -0.14 -2.93 -0.06 0.00 0.00 0.00 0.00 36.38 33.26 1g94 s VAL 257 CO 0.08 0.43 -0.10 0.68 0.00 0.00 0.00 175.10 176.20 1g94 s VAL 258 N 0.79 1.84 0.04 2.92 -7.23 -0.73 -1.13 120.40 116.88 1g94 s VAL 258 Ca 0.01 -2.19 -0.28 0.00 -1.81 0.00 0.00 61.98 57.72 1g94 s VAL 258 Cb -0.14 -2.36 0.09 0.00 0.56 0.00 0.00 36.38 34.53 1g94 s VAL 258 CO 0.02 -0.37 0.88 0.72 -0.31 0.00 0.00 175.10 176.05 1g94 s PHE 259 N -2.90 -0.32 -0.02 2.82 -0.12 -1.26 -1.57 117.98 114.62 1g94 s PHE 259 Ca 0.28 0.14 -0.20 0.00 -0.05 0.00 0.00 56.93 57.11 1g94 s PHE 259 Cb 0.02 0.56 -0.33 0.00 -0.63 0.00 0.00 43.02 42.64 1g94 s PHE 259 CO 0.12 -0.62 0.93 0.28 -0.05 0.00 0.00 175.22 175.88 1g94 h VAL 260 N 2.00 1.44 -3.45 -2.49 2.07 -1.92 -3.29 116.25 110.61 1g94 h VAL 260 Ca -0.23 -2.58 -0.05 0.00 0.82 0.00 0.00 66.70 64.66 1g94 h VAL 260 Cb 1.24 3.14 -0.12 0.00 -1.52 0.00 0.00 31.29 34.04 1g94 h VAL 260 CO 0.30 0.75 -0.08 1.51 0.02 0.00 0.00 177.57 180.07 1g94 s ASP 261 N -7.17 -0.19 0.41 0.57 -4.77 -1.26 -4.48 116.67 99.78 1g94 s ASP 261 Ca -0.12 -0.48 0.04 0.00 -3.30 0.00 0.00 52.55 48.69 1g94 s ASP 261 Cb 0.02 0.50 -0.02 0.00 -1.09 0.00 0.00 42.92 42.33 1g94 s ASP 261 CO 0.87 -0.93 0.14 0.54 0.70 0.00 0.00 175.17 176.49 1g94 s ASN 262 N -2.86 2.81 0.58 2.11 4.22 -1.26 -4.65 114.94 115.90 1g94 s ASN 262 Ca 0.08 -1.70 0.28 0.00 -2.14 0.00 0.00 52.86 49.38 1g94 s ASN 262 Cb 0.01 0.55 1.76 0.00 1.28 0.00 0.00 41.25 44.85 1g94 s ASN 262 CO -0.07 -0.96 2.23 1.12 -2.04 0.00 0.00 177.10 177.38 1g94 h HIS 263 N 1.77 0.00 0.00 1.54 2.07 -1.99 -2.75 115.15 115.79 1g94 h HIS 263 Ca -0.34 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.16 1g94 h HIS 263 Cb 1.27 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.25 1g94 h HIS 263 CO 1.59 0.00 -0.27 -0.44 -3.07 0.00 0.00 177.93 175.74 1g94 h ASP 264 N 0.00 0.00 0.55 3.10 3.32 -1.97 -3.40 116.42 118.03 1g94 h ASP 264 Ca 0.01 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1g94 h ASP 264 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1g94 h ASP 264 CO -0.00 0.71 0.00 -0.55 -1.72 0.00 0.00 179.24 177.68 1g94 h ASN 265 N -1.00 0.00 0.90 6.45 7.08 -1.65 -1.12 115.58 126.25 1g94 h ASN 265 Ca -0.02 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.20 1g94 h ASN 265 Cb 0.36 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.60 1g94 h ASN 265 CO -0.01 0.00 0.00 0.00 -2.08 0.00 0.00 177.43 175.34 1g94 n GLN 266 N -2.30 0.03 -0.84 4.14 10.64 -1.04 -3.46 117.38 124.55 1g94 n GLN 266 Ca 0.01 0.03 0.05 0.00 -1.83 0.00 0.00 57.00 55.26 1g94 n GLN 266 Cb 0.18 -1.50 0.10 0.00 -0.86 0.00 0.00 30.24 28.17 1g94 n GLN 266 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 1g94 n ARG 267 N -1.48 0.77 -1.05 2.61 1.85 -0.95 -5.00 116.66 113.41 1g94 n ARG 267 Ca 0.07 -2.44 -0.02 0.00 -1.00 0.00 0.00 57.85 54.46 1g94 n ARG 267 Cb 0.31 -0.87 -0.01 0.00 -1.05 0.00 0.00 32.46 30.84 1g94 n ARG 267 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1g94 n GLY 268 N -0.43 0.50 3.46 2.89 0.00 -1.19 -4.89 105.19 105.52 1g94 n GLY 268 Ca 0.11 -0.25 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 1g94 n GLY 268 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g94 s HIS 269 N -1.88 3.38 0.00 1.61 3.76 -0.46 -4.02 115.29 117.67 1g94 s HIS 269 Ca 0.00 -1.91 0.00 0.00 -0.15 0.00 0.00 55.06 53.00 1g94 s HIS 269 Cb 0.00 -4.31 0.00 0.00 1.11 0.00 0.00 32.58 29.38 1g94 s HIS 269 CO 0.00 -1.43 0.00 0.41 -0.85 0.00 0.00 174.74 172.87 1g94 n GLY 270 N 4.54 0.66 3.00 -2.22 0.00 -1.26 -3.78 105.19 106.12 1g94 n GLY 270 Ca 0.33 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.11 1g94 n GLY 270 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g94 s GLY 271 N -1.96 0.78 1.03 -0.02 0.00 -1.26 -4.92 107.32 100.98 1g94 s GLY 271 Ca 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 44.72 44.14 1g94 s GLY 271 CO 0.00 0.26 1.20 0.00 0.00 0.00 0.00 173.10 174.55 1g94 s ALA 272 N 0.86 1.53 -0.73 3.20 0.00 -1.26 -3.98 121.76 121.38 1g94 s ALA 272 Ca -0.11 -0.92 0.17 0.00 0.00 0.00 0.00 51.96 51.10 1g94 s ALA 272 Cb -0.15 -2.89 0.74 0.00 0.00 0.00 0.00 23.12 20.83 1g94 s ALA 272 CO 0.01 -2.80 1.53 0.41 0.00 0.00 0.00 175.76 174.91 1g94 n GLY 273 N -2.33 -1.04 0.13 0.00 0.00 -1.26 -2.64 105.19 98.05 1g94 n GLY 273 Ca 0.12 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1g94 n GLY 273 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1g94 h ASN 274 N 0.00 0.00 -3.24 1.61 -1.07 -1.94 -3.44 115.58 107.50 1g94 h ASN 274 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 56.30 55.84 1g94 h ASN 274 Cb 0.25 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 36.53 1g94 h ASN 274 CO 0.00 0.00 0.70 -0.69 0.07 0.00 0.00 177.43 177.51 1g94 s VAL 275 N -3.28 3.13 -0.04 6.14 1.01 -1.08 -4.14 120.40 122.15 1g94 s VAL 275 Ca 0.06 0.89 -0.19 0.00 0.00 0.00 0.00 61.98 62.74 1g94 s VAL 275 Cb 0.10 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 1g94 s VAL 275 CO 0.46 0.11 0.53 -0.63 0.00 0.00 0.00 175.10 175.57 1g94 s ILE 276 N 0.44 5.02 0.36 2.22 1.01 -1.26 -5.05 121.20 123.94 1g94 s ILE 276 Ca 0.60 1.08 0.06 0.00 0.00 0.00 0.00 60.65 62.39 1g94 s ILE 276 Cb -0.38 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 1g94 s ILE 276 CO 0.36 0.41 0.20 0.35 0.00 0.00 0.00 174.94 176.27 1g94 n THR 277 N 2.88 0.00 -0.03 2.92 -2.24 -1.26 -4.37 114.28 112.17 1g94 n THR 277 Ca -0.08 -2.32 0.21 0.00 -2.27 0.00 0.00 64.05 59.59 1g94 n THR 277 Cb 0.51 0.99 0.67 0.00 -2.10 0.00 0.00 70.33 70.41 1g94 n THR 277 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 1g94 h PHE 278 N 1.83 0.05 -0.06 4.78 -5.15 -1.98 -0.34 116.94 116.08 1g94 h PHE 278 Ca -0.27 0.00 0.02 0.00 -0.20 0.00 0.00 57.97 57.52 1g94 h PHE 278 Cb 1.16 -0.02 -0.00 0.00 0.22 0.00 0.00 35.95 37.32 1g94 h PHE 278 CO 0.00 0.02 0.08 0.93 -2.00 0.00 0.00 178.31 177.34 1g94 h GLU 279 N 0.04 0.00 -0.04 6.09 5.08 -1.99 -1.99 114.58 121.77 1g94 h GLU 279 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1g94 h GLU 279 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1g94 h GLU 279 CO -0.01 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.75 1g94 n ASP 280 N -3.62 0.62 0.00 1.42 9.92 -0.14 -5.00 116.55 119.75 1g94 n ASP 280 Ca -0.02 -1.38 0.00 0.00 -0.53 0.00 0.00 54.79 52.86 1g94 n ASP 280 Cb 0.17 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.63 1g94 n ASP 280 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1g94 n GLY 281 N 0.99 3.37 0.37 0.44 0.00 -0.75 -1.94 105.19 107.66 1g94 n GLY 281 Ca 0.18 0.22 0.18 0.00 0.00 0.00 0.00 46.02 46.60 1g94 n GLY 281 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1g94 h ARG 282 N 0.00 0.05 -0.49 1.61 9.65 -1.94 0.14 114.38 123.40 1g94 h ARG 282 Ca 0.00 -0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.82 1g94 h ARG 282 Cb 0.00 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 1g94 h ARG 282 CO 0.00 0.03 0.06 1.25 2.80 0.00 0.00 179.97 184.11 1g94 h LEU 283 N 0.05 0.73 -0.43 3.80 5.85 -1.78 -1.88 115.31 121.65 1g94 h LEU 283 Ca 0.23 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 1g94 h LEU 283 Cb 0.86 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1g94 h LEU 283 CO -0.01 0.76 -0.20 0.22 -0.34 0.00 0.00 178.44 178.87 1g94 h TYR 284 N 0.74 1.02 -0.16 1.25 3.20 -0.86 -1.90 116.97 120.26 1g94 h TYR 284 Ca 0.15 -0.25 0.04 0.00 3.14 0.00 0.00 58.73 61.82 1g94 h TYR 284 Cb 0.36 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 1g94 h TYR 284 CO 0.02 1.03 -0.11 -0.44 -1.64 0.00 0.00 178.16 177.02 1g94 h ASP 285 N 0.71 -0.37 -0.63 -2.11 3.32 -0.96 -1.56 116.42 114.83 1g94 h ASP 285 Ca 0.10 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 1g94 h ASP 285 Cb 0.76 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.47 1g94 h ASP 285 CO 0.06 -0.15 0.19 -0.07 -1.72 0.00 0.00 179.24 177.55 1g94 h LEU 286 N -0.12 0.95 -0.61 1.55 3.38 -1.25 -0.86 115.31 118.35 1g94 h LEU 286 Ca 0.10 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1g94 h LEU 286 Cb 0.26 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1g94 h LEU 286 CO -0.23 0.89 0.12 0.00 0.09 0.00 0.00 178.44 179.31 1g94 h ALA 287 N 1.23 0.81 -0.55 1.53 0.00 -1.09 -2.03 119.26 119.16 1g94 h ALA 287 Ca 0.21 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1g94 h ALA 287 Cb 0.30 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1g94 h ALA 287 CO -0.01 0.54 -0.09 -0.91 0.00 0.00 0.00 179.25 178.79 1g94 h ASN 288 N 0.90 1.03 -0.86 0.00 2.35 -1.02 -2.04 115.58 115.94 1g94 h ASN 288 Ca 0.19 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 1g94 h ASN 288 Cb 0.39 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 1g94 h ASN 288 CO 0.01 1.13 0.51 0.58 -1.65 0.00 0.00 177.43 178.00 1g94 h VAL 289 N 0.91 1.24 0.16 2.81 2.07 -0.95 -0.88 116.25 121.61 1g94 h VAL 289 Ca 0.14 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1g94 h VAL 289 Cb 0.66 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1g94 h VAL 289 CO 0.05 0.26 -0.08 0.15 0.02 0.00 0.00 177.57 177.96 1g94 h PHE 290 N 1.19 -0.20 -0.47 1.57 3.57 -1.19 -2.14 116.94 119.26 1g94 h PHE 290 Ca 0.31 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.89 1g94 h PHE 290 Cb -0.03 0.07 -0.08 0.00 2.79 0.00 0.00 35.95 38.70 1g94 h PHE 290 CO 0.00 0.06 0.00 1.98 -2.23 0.00 0.00 178.31 178.13 1g94 h MET 291 N -0.46 0.11 0.00 1.11 4.05 -1.16 0.52 114.93 119.10 1g94 h MET 291 Ca -0.02 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.30 1g94 h MET 291 Cb 0.36 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 1g94 h MET 291 CO 0.04 0.08 -0.45 -0.07 0.23 0.00 0.00 176.91 176.73 1g94 h LEU 292 N 0.12 0.00 0.00 3.39 3.38 -1.18 -3.08 115.31 117.94 1g94 h LEU 292 Ca 0.24 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.00 1g94 h LEU 292 Cb 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1g94 h LEU 292 CO -0.39 0.45 -1.23 0.00 0.09 0.00 0.00 178.44 177.36 1g94 h ALA 293 N 1.55 0.62 -2.42 1.53 0.00 -1.01 -3.37 119.26 116.16 1g94 h ALA 293 Ca -0.00 -0.98 -0.54 0.00 0.00 0.00 0.00 54.91 53.39 1g94 h ALA 293 Cb 0.93 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1g94 h ALA 293 CO 0.06 1.15 0.42 -0.47 0.00 0.00 0.00 179.25 180.40 1g94 s TYR 294 N -2.78 3.61 0.00 0.00 6.14 0.14 -4.96 117.35 119.49 1g94 s TYR 294 Ca -0.01 1.62 -0.02 0.00 0.64 0.00 0.00 57.07 59.29 1g94 s TYR 294 Cb 0.09 -3.18 -0.10 0.00 0.42 0.00 0.00 41.96 39.18 1g94 s TYR 294 CO 0.81 -0.26 2.09 -0.35 0.64 0.00 0.00 175.55 178.47 1g94 n PRO 295 N 3.97 1.07 -4.71 4.97 -0.04 -1.26 -4.84 135.00 134.16 1g94 n PRO 295 Ca 0.07 -0.38 -0.25 0.00 -0.04 0.00 0.00 63.50 62.89 1g94 n PRO 295 Cb 0.50 -1.54 -0.16 0.00 -0.04 0.00 0.00 33.50 32.26 1g94 n PRO 295 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1g94 s TYR 296 N 1.18 1.58 0.18 0.54 5.04 -1.26 -5.01 117.35 119.61 1g94 s TYR 296 Ca 0.26 -0.52 0.00 0.00 -2.44 0.00 0.00 57.07 54.37 1g94 s TYR 296 Cb 0.12 -1.11 0.00 0.00 0.35 0.00 0.00 41.96 41.33 1g94 s TYR 296 CO 0.00 -0.22 0.00 0.41 -1.34 0.00 0.00 175.55 174.40 1g94 n GLY 297 N 3.46 -2.04 3.16 8.97 0.00 -1.22 -4.74 105.19 112.78 1g94 n GLY 297 Ca -0.20 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.14 1g94 n GLY 297 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1g94 s TYR 298 N -1.64 3.47 0.29 1.61 5.04 -0.25 -4.94 117.35 120.93 1g94 s TYR 298 Ca 0.00 -2.11 -0.19 0.00 -2.44 0.00 0.00 57.07 52.33 1g94 s TYR 298 Cb 0.00 -2.94 -0.09 0.00 0.35 0.00 0.00 41.96 39.28 1g94 s TYR 298 CO 0.00 -0.91 0.78 -1.25 -1.34 0.00 0.00 175.55 172.83 1g94 s PRO 299 N 1.23 4.21 -0.12 4.97 0.04 -1.26 -1.78 135.00 142.29 1g94 s PRO 299 Ca 0.04 0.89 0.03 0.00 0.04 0.00 0.00 61.00 62.00 1g94 s PRO 299 Cb -0.22 -2.65 0.01 0.00 0.04 0.00 0.00 34.50 31.68 1g94 s PRO 299 CO -0.02 0.25 -0.21 -1.59 0.04 0.00 0.00 177.00 175.47 1g94 s LYS 300 N -2.45 2.88 0.34 4.56 -2.85 -0.61 -1.79 119.74 119.83 1g94 s LYS 300 Ca 0.50 -0.81 -0.26 0.00 -1.00 0.00 0.00 55.97 54.40 1g94 s LYS 300 Cb -0.14 -2.29 -0.10 0.00 -2.06 0.00 0.00 37.83 33.24 1g94 s LYS 300 CO 0.19 0.04 0.96 0.08 0.10 0.00 0.00 175.35 176.72 1g94 s VAL 301 N 0.69 4.14 0.08 1.79 1.01 -0.08 -4.58 120.40 123.45 1g94 s VAL 301 Ca -0.11 1.73 -0.09 0.00 0.00 0.00 0.00 61.98 63.52 1g94 s VAL 301 Cb -0.16 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 1g94 s VAL 301 CO 0.02 0.10 0.38 -0.32 0.00 0.00 0.00 175.10 175.28 1g94 s MET 302 N -2.16 3.72 -0.20 2.72 1.75 -1.26 -1.56 119.30 122.30 1g94 s MET 302 Ca 0.52 0.11 -0.02 0.00 -1.25 0.00 0.00 55.69 55.04 1g94 s MET 302 Cb -0.19 -2.99 0.06 0.00 2.84 0.00 0.00 34.83 34.55 1g94 s MET 302 CO 0.24 0.56 0.02 0.45 -0.65 0.00 0.00 175.02 175.64 1g94 s SER 303 N -1.83 3.00 0.34 1.11 0.15 -0.83 -4.16 113.70 111.49 1g94 s SER 303 Ca 0.33 -0.85 0.02 0.00 0.70 0.00 0.00 55.95 56.15 1g94 s SER 303 Cb -0.14 -0.67 0.02 0.00 -1.71 0.00 0.00 66.02 63.52 1g94 s SER 303 CO 0.18 -0.29 0.16 -1.20 1.20 0.00 0.00 173.24 173.29 1g94 n SER 304 N 5.00 2.44 -4.09 5.45 7.64 -1.26 -3.14 113.62 125.66 1g94 n SER 304 Ca -0.09 -2.30 -0.16 0.00 1.01 0.00 0.00 58.87 57.32 1g94 n SER 304 Cb 0.47 0.08 -0.12 0.00 -1.01 0.00 0.00 64.21 63.62 1g94 n SER 304 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1g94 s TYR 305 N -1.92 0.90 -0.26 1.43 -0.85 -1.26 -0.43 117.35 114.96 1g94 s TYR 305 Ca 0.12 -0.40 -0.29 0.00 -0.52 0.00 0.00 57.07 55.99 1g94 s TYR 305 Cb -0.01 -0.53 -0.03 0.00 0.38 0.00 0.00 41.96 41.77 1g94 s TYR 305 CO 0.07 -0.01 1.81 0.34 -1.52 0.00 0.00 175.55 176.24 1g94 s ASP 306 N -1.29 6.03 0.00 -0.18 3.68 -0.29 -4.87 116.67 119.75 1g94 s ASP 306 Ca -0.04 1.57 0.19 0.00 2.13 0.00 0.00 52.55 56.40 1g94 s ASP 306 Cb -0.08 -2.53 0.61 0.00 -1.45 0.00 0.00 42.92 39.48 1g94 s ASP 306 CO 0.01 -1.55 1.47 2.22 0.13 0.00 0.00 175.17 177.44 1g94 n PHE 307 N 9.70 0.32 -4.07 -5.34 -1.74 -1.26 -4.82 117.46 110.24 1g94 n PHE 307 Ca 0.22 -0.16 -0.30 0.00 -0.56 0.00 0.00 57.45 56.66 1g94 n PHE 307 Cb 0.46 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.43 1g94 n PHE 307 CO 0.00 0.00 0.00 0.72 -0.56 0.00 0.00 176.76 176.92 1g94 n HIS 308 N 0.52 -1.70 -0.49 2.97 8.25 -1.26 -1.27 115.22 122.24 1g94 n HIS 308 Ca 0.16 0.77 0.00 0.00 -0.26 0.00 0.00 57.72 58.39 1g94 n HIS 308 Cb 0.36 -3.42 0.00 0.00 1.12 0.00 0.00 29.99 28.04 1g94 n HIS 308 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1g94 n GLY 309 N -1.78 1.28 3.41 -1.41 0.00 -1.26 -4.96 105.19 100.47 1g94 n GLY 309 Ca -0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 1g94 n GLY 309 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1g94 s ASP 310 N -2.98 6.18 0.00 1.61 3.68 -0.39 -4.93 116.67 119.83 1g94 s ASP 310 Ca 0.00 -1.16 0.21 0.00 2.13 0.00 0.00 52.55 53.73 1g94 s ASP 310 Cb 0.00 -2.23 0.97 0.00 -1.45 0.00 0.00 42.92 40.21 1g94 s ASP 310 CO 0.00 -0.74 1.67 0.35 0.13 0.00 0.00 175.17 176.58 1g94 n THR 311 N 5.36 0.47 0.23 1.71 -2.24 -1.26 -2.89 114.28 115.66 1g94 n THR 311 Ca -0.10 0.12 0.11 0.00 -2.27 0.00 0.00 64.05 61.90 1g94 n THR 311 Cb 0.44 -0.76 -0.15 0.00 -2.10 0.00 0.00 70.33 67.76 1g94 n THR 311 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1g94 n ASP 312 N -1.41 0.32 -4.77 3.42 10.43 -1.26 -4.97 116.55 118.31 1g94 n ASP 312 Ca 0.07 -0.24 -0.40 0.00 2.57 0.00 0.00 54.79 56.79 1g94 n ASP 312 Cb 0.21 1.74 0.00 0.00 1.84 0.00 0.00 41.12 44.92 1g94 n ASP 312 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1g94 s ALA 313 N -3.36 3.34 1.03 2.24 0.00 -1.14 -2.53 121.76 121.34 1g94 s ALA 313 Ca -0.04 1.39 -0.09 0.00 0.00 0.00 0.00 51.96 53.22 1g94 s ALA 313 Cb 0.14 -3.55 0.13 0.00 0.00 0.00 0.00 23.12 19.84 1g94 s ALA 313 CO 0.88 -0.99 0.68 0.41 0.00 0.00 0.00 175.76 176.74 1g94 n GLY 314 N 0.60 -1.65 2.65 0.00 0.00 -1.16 -4.05 105.19 101.58 1g94 n GLY 314 Ca 0.03 -1.64 -0.21 0.00 0.00 0.00 0.00 46.02 44.21 1g94 n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g94 n GLY 315 N -0.05 -1.81 3.62 -0.02 0.00 -1.26 -4.90 105.19 100.78 1g94 n GLY 315 Ca 0.09 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.12 1g94 n GLY 315 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1g94 n PRO 316 N -3.27 0.58 -0.07 1.61 -0.02 -1.26 -4.92 135.00 127.65 1g94 n PRO 316 Ca 0.11 0.25 0.08 0.00 -2.02 0.00 0.00 63.50 61.93 1g94 n PRO 316 Cb 0.41 -2.24 0.35 0.00 -0.02 0.00 0.00 33.50 32.00 1g94 n PRO 316 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1g94 n ASN 317 N -1.64 1.11 -4.29 2.55 3.02 -1.26 -4.81 115.26 109.93 1g94 n ASN 317 Ca 0.13 -1.70 -0.28 0.00 -0.03 0.00 0.00 54.58 52.70 1g94 n ASN 317 Cb 0.49 -0.09 -0.15 0.00 -0.61 0.00 0.00 39.78 39.43 1g94 n ASN 317 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1g94 s VAL 318 N -1.82 1.90 0.75 2.41 -7.23 -1.26 -5.14 120.40 110.01 1g94 s VAL 318 Ca 0.27 -1.24 -0.11 0.00 -1.81 0.00 0.00 61.98 59.09 1g94 s VAL 318 Cb 0.14 -1.63 0.04 0.00 0.56 0.00 0.00 36.38 35.49 1g94 s VAL 318 CO 0.21 0.34 1.08 -2.16 -0.31 0.00 0.00 175.10 174.26 1g94 s PRO 319 N -1.07 2.51 0.09 4.82 0.04 -1.26 -4.97 135.00 135.15 1g94 s PRO 319 Ca 0.10 0.86 -0.20 0.00 0.04 0.00 0.00 61.00 61.79 1g94 s PRO 319 Cb -0.09 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 1g94 s PRO 319 CO 0.01 -1.38 1.61 0.28 0.04 0.00 0.00 177.00 177.57 1g94 h VAL 320 N -0.92 1.17 -3.30 -0.36 2.07 -1.93 -3.35 116.25 109.62 1g94 h VAL 320 Ca -0.45 -0.52 -0.77 0.00 0.82 0.00 0.00 66.70 65.78 1g94 h VAL 320 Cb 1.24 1.19 -0.24 0.00 -1.52 0.00 0.00 31.29 31.95 1g94 h VAL 320 CO 0.57 0.16 -0.09 -1.00 0.02 0.00 0.00 177.57 177.23 1g94 s HIS 321 N -5.48 3.40 -0.49 1.57 3.76 -1.26 -0.84 115.29 115.94 1g94 s HIS 321 Ca -0.14 -1.50 -0.03 0.00 -0.15 0.00 0.00 55.06 53.25 1g94 s HIS 321 Cb 0.07 -3.82 0.13 0.00 1.11 0.00 0.00 32.58 30.07 1g94 s HIS 321 CO 0.71 -1.03 0.29 1.21 -0.85 0.00 0.00 174.74 175.06 1g94 s ASN 322 N 3.15 5.22 -1.60 1.40 2.47 -0.68 -4.79 114.94 120.11 1g94 s ASN 322 Ca 0.08 -2.35 -0.14 0.00 0.42 0.00 0.00 52.86 50.87 1g94 s ASN 322 Cb -0.23 -1.83 0.11 0.00 -1.45 0.00 0.00 41.25 37.84 1g94 s ASN 322 CO -0.01 -0.47 0.80 0.59 -3.72 0.00 0.00 177.10 174.29 1g94 n ASN 323 N 4.16 -3.31 0.00 -4.21 5.03 -1.26 -2.01 115.26 113.65 1g94 n ASN 323 Ca 0.02 -0.93 0.00 0.00 0.87 0.00 0.00 54.58 54.54 1g94 n ASN 323 Cb 0.40 -3.21 0.00 0.00 -1.02 0.00 0.00 39.78 35.95 1g94 n ASN 323 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1g94 n GLY 324 N -1.58 1.66 3.35 7.41 0.00 -1.26 -5.06 105.19 109.71 1g94 n GLY 324 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1g94 n GLY 324 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g94 s ASN 325 N -1.53 3.26 -0.35 1.61 4.22 -0.85 -5.10 114.94 116.19 1g94 s ASN 325 Ca 0.00 -0.49 -0.25 0.00 -2.14 0.00 0.00 52.86 49.98 1g94 s ASN 325 Cb 0.00 -0.39 0.01 0.00 1.28 0.00 0.00 41.25 42.15 1g94 s ASN 325 CO 0.00 0.29 0.88 -0.22 -2.04 0.00 0.00 177.10 176.01 1g94 s LEU 326 N -0.97 4.04 -0.61 3.54 2.96 -1.26 -1.68 118.68 124.69 1g94 s LEU 326 Ca 0.11 0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 54.53 1g94 s LEU 326 Cb -0.10 -3.20 -0.16 0.00 0.50 0.00 0.00 46.19 43.23 1g94 s LEU 326 CO 0.01 -0.79 3.27 -0.62 -1.32 0.00 0.00 176.35 176.91 1g94 n GLU 327 N 6.60 2.70 -4.16 1.98 -0.58 -0.02 -4.90 120.64 122.26 1g94 n GLU 327 Ca 0.06 -1.64 -0.23 0.00 -0.42 0.00 0.00 57.16 54.93 1g94 n GLU 327 Cb 0.48 -2.29 -0.07 0.00 -0.57 0.00 0.00 31.44 28.99 1g94 n GLU 327 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1g94 n PHE 329 N -1.09 0.00 0.00 0.00 3.72 -0.49 -4.91 117.46 114.68 1g94 n PHE 329 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1g94 n PHE 329 Cb 0.61 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 1g94 n PHE 329 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1g94 n ALA 330 N 0.52 0.00 0.30 4.37 0.00 -1.25 -4.95 120.51 119.50 1g94 n ALA 330 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1g94 n ALA 330 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.69 1g94 n ALA 330 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1g94 n SER 331 N 0.00 2.85 0.00 0.00 3.41 -1.26 -4.73 113.62 113.90 1g94 n SER 331 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1g94 n SER 331 Cb 0.00 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1g94 n SER 331 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1g94 n ASN 332 N 1.06 0.00 -4.73 4.04 3.02 -1.26 -4.49 115.26 112.90 1g94 n ASN 332 Ca 0.18 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.32 1g94 n ASN 332 Cb 0.45 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.58 1g94 n ASN 332 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1g94 s TRP 333 N 1.94 3.79 0.06 3.10 0.52 -1.16 -1.13 118.94 126.05 1g94 s TRP 333 Ca 0.00 1.78 0.04 0.00 0.02 0.00 0.00 56.10 57.93 1g94 s TRP 333 Cb 0.00 -3.09 -0.24 0.00 -1.15 0.00 0.00 33.47 28.99 1g94 s TRP 333 CO 0.00 0.09 1.06 0.87 0.02 0.00 0.00 176.95 178.99 1g94 h LYS 334 N 5.42 0.10 -6.24 4.98 1.79 -1.03 -1.31 116.57 120.28 1g94 h LYS 334 Ca -0.43 -0.18 -0.44 0.00 -2.18 0.00 0.00 60.65 57.42 1g94 h LYS 334 Cb 1.21 0.07 0.03 0.00 -1.58 0.00 0.00 32.23 31.95 1g94 h LYS 334 CO 0.72 0.98 -0.88 0.00 -1.08 0.00 0.00 179.45 179.19 1g94 h GLU 336 N -1.84 0.20 0.00 0.00 3.07 -1.88 -0.67 114.58 113.46 1g94 h GLU 336 Ca -0.63 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.22 1g94 h GLU 336 Cb 1.36 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 1g94 h GLU 336 CO 0.56 0.13 0.00 1.12 -1.40 0.00 0.00 179.01 179.42 1g94 h HIS 337 N 0.20 0.00 -0.00 4.33 2.07 -1.90 -1.16 115.15 118.69 1g94 h HIS 337 Ca 0.22 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.74 1g94 h HIS 337 Cb 0.61 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.59 1g94 h HIS 337 CO -0.00 0.00 -0.90 0.54 -3.07 0.00 0.00 177.93 174.50 1g94 n ARG 338 N -2.37 0.18 -1.79 5.12 1.74 -0.26 -4.27 116.66 115.02 1g94 n ARG 338 Ca -0.01 -0.15 -0.42 0.00 -0.77 0.00 0.00 57.85 56.51 1g94 n ARG 338 Cb 0.09 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.01 1g94 n ARG 338 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1g94 s TRP 339 N -2.92 2.87 0.31 -1.55 0.52 -0.44 -4.79 118.94 112.93 1g94 s TRP 339 Ca 0.10 0.59 0.06 0.00 0.02 0.00 0.00 56.10 56.86 1g94 s TRP 339 Cb 0.16 -4.07 0.73 0.00 -1.15 0.00 0.00 33.47 29.15 1g94 s TRP 339 CO 0.82 -3.84 1.79 0.66 0.02 0.00 0.00 176.95 176.39 1g94 h SER 340 N 5.91 0.79 0.18 2.95 4.64 -1.88 -0.12 113.55 126.02 1g94 h SER 340 Ca -0.45 0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 60.82 1g94 h SER 340 Cb 1.21 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1g94 h SER 340 CO 0.88 0.30 -0.53 1.88 -0.87 0.00 0.00 176.83 178.48 1g94 h TYR 341 N 0.78 0.48 0.00 4.77 -1.99 -1.91 -0.92 116.97 118.18 1g94 h TYR 341 Ca 0.57 -0.17 -0.00 0.00 2.00 0.00 0.00 58.73 61.13 1g94 h TYR 341 Cb 0.87 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.51 1g94 h TYR 341 CO -0.00 0.84 -0.00 0.82 -0.00 0.00 0.00 178.16 179.81 1g94 h ILE 342 N 0.30 1.57 -0.78 -2.88 2.04 -1.54 -1.50 117.51 114.72 1g94 h ILE 342 Ca 0.01 -1.72 -0.01 0.00 1.00 0.00 0.00 64.86 64.14 1g94 h ILE 342 Cb 1.04 2.73 -0.04 0.00 -0.74 0.00 0.00 36.82 39.81 1g94 h ILE 342 CO 0.09 0.44 0.44 0.00 0.00 0.00 0.00 178.15 179.13 1g94 h ALA 343 N 0.25 1.31 -0.59 1.87 0.00 -1.12 -1.08 119.26 119.90 1g94 h ALA 343 Ca -0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1g94 h ALA 343 Cb 0.73 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1g94 h ALA 343 CO 0.00 0.57 0.13 0.78 0.00 0.00 0.00 179.25 180.74 1g94 h GLY 344 N 1.11 1.00 1.17 0.00 0.00 -1.20 -1.15 103.07 104.00 1g94 h GLY 344 Ca 0.28 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 1g94 h GLY 344 CO -0.05 0.56 0.08 -1.33 0.00 0.00 0.00 176.54 175.80 1g94 h GLY 345 N 1.02 1.10 0.96 4.60 0.00 -0.14 -1.45 103.07 109.15 1g94 h GLY 345 Ca 0.19 -0.73 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 1g94 h GLY 345 CO 0.00 0.67 0.18 -2.08 0.00 0.00 0.00 176.54 175.32 1g94 h VAL 346 N 0.95 1.21 -0.96 4.60 2.07 -0.80 -0.87 116.25 122.45 1g94 h VAL 346 Ca 0.19 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1g94 h VAL 346 Cb 0.44 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1g94 h VAL 346 CO 0.01 0.24 0.61 -0.78 0.02 0.00 0.00 177.57 177.68 1g94 h ASP 347 N 0.61 1.13 -0.19 0.57 3.58 -0.99 -0.57 116.42 120.56 1g94 h ASP 347 Ca 0.15 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 1g94 h ASP 347 Cb 0.20 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1g94 h ASP 347 CO -0.01 0.84 0.07 0.15 -2.88 0.00 0.00 179.24 177.40 1g94 h PHE 348 N 1.31 0.31 -0.81 0.28 3.57 -0.87 -1.97 116.94 118.76 1g94 h PHE 348 Ca 0.35 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 1g94 h PHE 348 Cb -0.11 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 1g94 h PHE 348 CO 0.00 0.38 0.45 -0.09 -2.23 0.00 0.00 178.31 176.83 1g94 h ARG 349 N 0.15 1.13 -0.38 1.11 2.43 -0.71 -2.25 114.38 115.87 1g94 h ARG 349 Ca 0.06 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1g94 h ARG 349 Cb 0.21 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1g94 h ARG 349 CO -0.00 0.83 0.06 -0.91 -1.51 0.00 0.00 179.97 178.44 1g94 h ASN 350 N 1.13 0.52 -0.24 -3.80 -0.26 -0.95 -2.94 115.58 109.04 1g94 h ASN 350 Ca 0.29 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 1g94 h ASN 350 Cb 0.02 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 1g94 h ASN 350 CO -0.05 0.55 0.00 0.59 -1.06 0.00 0.00 177.43 177.46 1g94 n ASN 351 N -4.31 2.52 -0.07 5.81 4.13 -0.75 -2.45 115.26 120.13 1g94 n ASN 351 Ca 0.02 -1.85 0.05 0.00 1.68 0.00 0.00 54.58 54.48 1g94 n ASN 351 Cb 0.21 -0.15 0.07 0.00 -1.54 0.00 0.00 39.78 38.36 1g94 n ASN 351 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1g94 n THR 352 N 0.89 1.26 0.65 3.41 -2.24 -0.91 -4.76 114.28 112.59 1g94 n THR 352 Ca 0.17 -1.44 0.06 0.00 -2.27 0.00 0.00 64.05 60.58 1g94 n THR 352 Cb 0.47 0.19 0.34 0.00 -2.10 0.00 0.00 70.33 69.22 1g94 n THR 352 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g94 n ALA 353 N -0.86 1.80 1.25 6.98 0.00 -1.17 -1.87 120.51 126.64 1g94 n ALA 353 Ca 0.07 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.58 1g94 n ALA 353 Cb 0.49 -1.21 0.31 0.00 0.00 0.00 0.00 19.45 19.04 1g94 n ALA 353 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1g94 n ASP 354 N -1.23 2.17 -3.45 0.00 3.85 -1.26 -4.71 116.55 111.91 1g94 n ASP 354 Ca 0.07 -1.70 -0.21 0.00 -0.71 0.00 0.00 54.79 52.24 1g94 n ASP 354 Cb 0.09 0.02 -0.12 0.00 -1.35 0.00 0.00 41.12 39.77 1g94 n ASP 354 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 1g94 s ASN 355 N -2.04 2.17 -0.15 -1.12 3.84 -0.78 -5.02 114.94 111.84 1g94 s ASN 355 Ca 0.32 -0.84 0.09 0.00 0.21 0.00 0.00 52.86 52.65 1g94 s ASN 355 Cb 0.20 0.24 0.53 0.00 -0.55 0.00 0.00 41.25 41.68 1g94 s ASN 355 CO 0.34 -0.40 1.32 0.79 -2.79 0.00 0.00 177.10 176.36 1g94 n TRP 356 N 5.29 1.33 -3.94 0.43 7.02 -1.26 -4.82 117.44 121.49 1g94 n TRP 356 Ca -0.04 -0.46 -0.27 0.00 -1.02 0.00 0.00 57.50 55.71 1g94 n TRP 356 Cb 0.46 -0.35 -0.03 0.00 -2.42 0.00 0.00 31.31 28.96 1g94 n TRP 356 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1g94 s ALA 357 N -2.11 3.98 -0.38 6.99 0.00 -1.26 -4.79 121.76 124.19 1g94 s ALA 357 Ca 0.35 -1.00 -0.14 0.00 0.00 0.00 0.00 51.96 51.18 1g94 s ALA 357 Cb 0.27 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1g94 s ALA 357 CO 0.11 0.59 0.26 0.08 0.00 0.00 0.00 175.76 176.80 1g94 s VAL 358 N -1.70 5.20 0.14 0.00 1.01 -1.26 -4.35 120.40 119.44 1g94 s VAL 358 Ca 0.35 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.91 1g94 s VAL 358 Cb -0.11 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1g94 s VAL 358 CO 0.28 -0.17 -0.03 0.42 0.00 0.00 0.00 175.10 175.61 1g94 s THR 359 N 1.69 3.67 -1.28 3.92 -4.23 -0.33 -4.76 115.64 114.32 1g94 s THR 359 Ca 0.05 -1.32 -0.10 0.00 -1.18 0.00 0.00 61.69 59.14 1g94 s THR 359 Cb -0.18 -2.80 -0.00 0.00 1.34 0.00 0.00 72.50 70.86 1g94 s THR 359 CO 0.10 -0.02 0.60 0.59 -0.54 0.00 0.00 174.62 175.35 1g94 n ASN 360 N 0.20 -2.61 -4.74 3.99 3.02 -1.26 -0.60 115.26 113.26 1g94 n ASN 360 Ca -0.11 -1.01 -0.41 0.00 -0.03 0.00 0.00 54.58 53.02 1g94 n ASN 360 Cb 0.54 -3.19 -0.03 0.00 -0.61 0.00 0.00 39.78 36.49 1g94 n ASN 360 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1g94 s TRP 361 N -3.72 3.20 0.01 3.10 -0.11 -1.26 -4.34 118.94 115.81 1g94 s TRP 361 Ca 0.22 1.21 0.01 0.00 1.22 0.00 0.00 56.10 58.76 1g94 s TRP 361 Cb -0.08 -3.65 -0.01 0.00 -1.50 0.00 0.00 33.47 28.23 1g94 s TRP 361 CO 0.88 -2.01 -0.03 -0.46 -4.62 0.00 0.00 176.95 170.71 1g94 s TRP 362 N -0.07 0.25 0.19 5.86 -0.00 0.19 -5.00 118.94 120.35 1g94 s TRP 362 Ca 0.56 -0.18 -0.15 0.00 -0.00 0.00 0.00 56.10 56.33 1g94 s TRP 362 Cb -0.38 -0.16 0.02 0.00 -0.00 0.00 0.00 33.47 32.95 1g94 s TRP 362 CO 0.41 -0.05 0.46 0.16 -0.00 0.00 0.00 176.95 177.93 1g94 s ASP 363 N -0.47 -0.17 -0.25 5.86 1.47 -1.26 -0.93 116.67 120.92 1g94 s ASP 363 Ca -0.03 -0.60 0.14 0.00 1.18 0.00 0.00 52.55 53.23 1g94 s ASP 363 Cb -0.03 0.54 0.81 0.00 -0.34 0.00 0.00 42.92 43.90 1g94 s ASP 363 CO -0.00 -1.01 1.76 -0.46 0.68 0.00 0.00 175.17 176.13 1g94 n ASN 364 N -0.31 5.64 0.00 2.11 6.94 -0.92 -4.88 115.26 123.84 1g94 n ASN 364 Ca -0.09 -2.97 0.00 0.00 -0.02 0.00 0.00 54.58 51.50 1g94 n ASN 364 Cb 0.63 -0.69 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 1g94 n ASN 364 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1g94 n THR 365 N 0.51 0.00 0.00 5.53 -2.24 -1.26 -4.83 114.28 111.99 1g94 n THR 365 Ca 0.29 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 1g94 n THR 365 Cb 1.22 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1g94 n THR 365 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1g94 n ASN 366 N 0.00 0.00 -1.67 3.42 4.05 -1.26 -4.75 115.26 115.05 1g94 n ASN 366 Ca 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 54.58 54.92 1g94 n ASN 366 Cb 0.00 0.00 0.22 0.00 1.23 0.00 0.00 39.78 41.23 1g94 n ASN 366 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1g94 n ASN 367 N 0.00 3.45 -4.02 1.20 3.02 -1.26 -1.52 115.26 116.13 1g94 n ASN 367 Ca 0.00 -3.56 -0.26 0.00 -0.03 0.00 0.00 54.58 50.73 1g94 n ASN 367 Cb 0.00 -0.72 -0.17 0.00 -0.61 0.00 0.00 39.78 38.28 1g94 n ASN 367 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1g94 s GLN 368 N -3.19 1.85 0.05 3.52 -0.21 -1.26 -0.72 119.66 119.69 1g94 s GLN 368 Ca 0.51 -0.44 -0.02 0.00 0.02 0.00 0.00 55.36 55.43 1g94 s GLN 368 Cb 0.43 -1.59 -0.03 0.00 1.00 0.00 0.00 33.01 32.83 1g94 s GLN 368 CO 0.07 -0.04 0.01 0.96 -2.12 0.00 0.00 175.29 174.17 1g94 s ILE 369 N 0.90 0.20 -0.19 1.08 -4.36 -0.92 -2.16 121.20 115.76 1g94 s ILE 369 Ca -0.10 -1.63 -0.23 0.00 -0.26 0.00 0.00 60.65 58.44 1g94 s ILE 369 Cb -0.15 -1.38 0.06 0.00 1.25 0.00 0.00 42.46 42.24 1g94 s ILE 369 CO 0.01 -0.90 0.61 -0.55 0.24 0.00 0.00 174.94 174.35 1g94 s SER 370 N -2.77 -0.62 0.16 4.36 0.15 -0.11 -1.24 113.70 113.63 1g94 s SER 370 Ca 0.05 1.08 -0.24 0.00 0.70 0.00 0.00 55.95 57.54 1g94 s SER 370 Cb 0.06 1.07 0.06 0.00 -1.71 0.00 0.00 66.02 65.51 1g94 s SER 370 CO -0.09 -0.30 0.70 0.72 1.20 0.00 0.00 173.24 175.47 1g94 s PHE 371 N -0.05 -0.40 0.47 3.44 -0.12 -1.02 -0.64 117.98 119.67 1g94 s PHE 371 Ca -0.03 0.14 0.02 0.00 -0.05 0.00 0.00 56.93 57.01 1g94 s PHE 371 Cb -0.04 0.60 -0.01 0.00 -0.63 0.00 0.00 43.02 42.94 1g94 s PHE 371 CO 0.03 -0.88 0.07 0.20 -0.05 0.00 0.00 175.22 174.58 1g94 s GLY 372 N -2.76 2.90 -0.53 1.99 0.00 0.23 -1.24 107.32 107.92 1g94 s GLY 372 Ca 0.05 -0.64 0.06 0.00 0.00 0.00 0.00 44.72 44.19 1g94 s GLY 372 CO -0.07 -2.04 0.92 0.54 0.00 0.00 0.00 173.10 172.46 1g94 n ARG 373 N -1.13 2.81 0.00 2.90 5.12 -0.21 -1.18 116.66 124.97 1g94 n ARG 373 Ca -0.14 -4.55 0.00 0.00 -1.93 0.00 0.00 57.85 51.24 1g94 n ARG 373 Cb 0.66 -2.13 0.00 0.00 -1.16 0.00 0.00 32.46 29.83 1g94 n ARG 373 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1g94 n GLY 374 N -0.17 1.59 0.10 -0.13 0.00 -1.26 -2.30 105.19 103.02 1g94 n GLY 374 Ca 0.30 -0.61 0.13 0.00 0.00 0.00 0.00 46.02 45.84 1g94 n GLY 374 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1g94 n SER 375 N 0.06 0.30 0.06 1.61 3.41 -1.26 -3.78 113.62 114.01 1g94 n SER 375 Ca 0.00 -1.28 -0.05 0.00 -0.26 0.00 0.00 58.87 57.27 1g94 n SER 375 Cb 0.00 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 63.84 1g94 n SER 375 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1g94 h SER 376 N 0.43 0.00 -5.66 4.04 0.02 -1.79 -3.43 113.55 107.16 1g94 h SER 376 Ca 0.00 0.00 0.30 0.00 -0.84 0.00 0.00 61.79 61.25 1g94 h SER 376 Cb 0.09 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.52 1g94 h SER 376 CO 0.00 0.90 0.77 -0.83 -1.14 0.00 0.00 176.83 176.53 1g94 s GLY 377 N -4.75 -0.38 -0.04 -3.77 0.00 -1.25 -0.99 107.32 96.14 1g94 s GLY 377 Ca 0.00 0.62 -0.19 0.00 0.00 0.00 0.00 44.72 45.15 1g94 s GLY 377 CO 0.81 0.11 0.41 -1.58 0.00 0.00 0.00 173.10 172.85 1g94 s HIS 378 N -2.57 -0.33 0.22 1.90 2.46 -0.44 -1.05 115.29 115.47 1g94 s HIS 378 Ca 0.14 0.60 -0.04 0.00 0.47 0.00 0.00 55.06 56.22 1g94 s HIS 378 Cb 0.04 0.18 -0.03 0.00 -0.13 0.00 0.00 32.58 32.64 1g94 s HIS 378 CO -0.03 -0.42 0.24 0.00 -2.47 0.00 0.00 174.74 172.06 1g94 s MET 379 N -1.07 1.33 -0.22 2.88 0.23 -0.37 -1.22 119.30 120.86 1g94 s MET 379 Ca -0.11 -1.54 -0.26 0.00 -1.03 0.00 0.00 55.69 52.74 1g94 s MET 379 Cb -0.04 0.33 0.07 0.00 -1.53 0.00 0.00 34.83 33.67 1g94 s MET 379 CO 0.05 -0.48 0.73 0.00 -2.03 0.00 0.00 175.02 173.29 1g94 s ALA 380 N -4.08 -1.79 -0.05 3.16 0.00 -0.56 -2.45 121.76 116.00 1g94 s ALA 380 Ca 0.34 1.87 0.03 0.00 0.00 0.00 0.00 51.96 54.20 1g94 s ALA 380 Cb 0.05 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.24 1g94 s ALA 380 CO 0.12 -0.34 -0.14 0.42 0.00 0.00 0.00 175.76 175.82 1g94 s ILE 381 N 0.02 1.21 -0.31 0.00 1.01 -0.38 -1.39 121.20 121.37 1g94 s ILE 381 Ca -0.02 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.08 1g94 s ILE 381 Cb -0.04 -1.07 0.07 0.00 0.01 0.00 0.00 42.46 41.43 1g94 s ILE 381 CO 0.03 0.36 -0.00 0.21 0.00 0.00 0.00 174.94 175.54 1g94 s ASN 382 N 0.36 4.77 -0.19 3.58 2.47 -0.32 -2.16 114.94 123.46 1g94 s ASN 382 Ca -0.09 -1.58 0.16 0.00 0.42 0.00 0.00 52.86 51.77 1g94 s ASN 382 Cb -0.13 -1.66 0.54 0.00 -1.45 0.00 0.00 41.25 38.55 1g94 s ASN 382 CO 0.03 -0.30 1.45 1.17 -3.72 0.00 0.00 177.10 175.73 1g94 n LYS 383 N 4.49 2.92 -2.73 0.43 4.81 0.10 -0.63 118.16 127.54 1g94 n LYS 383 Ca -0.09 -2.89 -0.22 0.00 -0.87 0.00 0.00 58.31 54.24 1g94 n LYS 383 Cb 0.42 -1.87 0.10 0.00 0.02 0.00 0.00 35.03 33.70 1g94 n LYS 383 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1g94 s GLU 384 N -2.87 1.85 0.00 1.64 0.41 -1.25 -4.80 118.70 113.68 1g94 s GLU 384 Ca 0.43 -1.30 0.26 0.00 -0.41 0.00 0.00 54.97 53.95 1g94 s GLU 384 Cb 0.35 -2.43 0.70 0.00 -1.78 0.00 0.00 34.13 30.98 1g94 s GLU 384 CO 0.09 -1.28 1.55 -0.25 -0.49 0.00 0.00 175.26 174.87 1g94 n ASP 385 N -2.66 2.12 -4.35 -0.19 8.00 -1.26 -3.72 116.55 114.48 1g94 n ASP 385 Ca 0.15 -1.71 -0.24 0.00 0.71 0.00 0.00 54.79 53.71 1g94 n ASP 385 Cb 0.61 -0.02 -0.12 0.00 -0.02 0.00 0.00 41.12 41.58 1g94 n ASP 385 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1g94 s SER 386 N -1.95 2.88 0.33 -2.24 1.04 -1.26 -4.78 113.70 107.71 1g94 s SER 386 Ca 0.34 -0.83 -0.29 0.00 0.48 0.00 0.00 55.95 55.65 1g94 s SER 386 Cb 0.20 -0.18 -0.11 0.00 0.10 0.00 0.00 66.02 66.03 1g94 s SER 386 CO 0.32 0.03 1.53 0.41 0.98 0.00 0.00 173.24 176.51 1g94 n THR 387 N 0.43 1.51 -3.03 2.02 -1.04 -1.26 -4.48 114.28 108.44 1g94 n THR 387 Ca -0.14 -0.38 -0.42 0.00 -2.04 0.00 0.00 64.05 61.07 1g94 n THR 387 Cb 0.56 -1.95 -0.06 0.00 -1.82 0.00 0.00 70.33 67.07 1g94 n THR 387 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1g94 s LEU 388 N -1.21 4.17 -0.07 -4.42 2.96 0.17 -4.89 118.68 115.39 1g94 s LEU 388 Ca 0.59 0.33 0.10 0.00 -0.22 0.00 0.00 54.13 54.93 1g94 s LEU 388 Cb -0.49 -2.92 0.15 0.00 0.50 0.00 0.00 46.19 43.43 1g94 s LEU 388 CO 0.56 -0.64 1.04 0.35 -1.32 0.00 0.00 176.35 176.34 1g94 n THR 389 N 5.64 1.23 -1.69 3.68 -2.24 -1.26 -1.60 114.28 118.04 1g94 n THR 389 Ca 0.01 -1.43 -0.34 0.00 -2.27 0.00 0.00 64.05 60.02 1g94 n THR 389 Cb 0.48 0.14 0.06 0.00 -2.10 0.00 0.00 70.33 68.92 1g94 n THR 389 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g94 s ALA 390 N -1.75 2.36 -0.24 6.98 0.00 -1.26 -4.39 121.76 123.44 1g94 s ALA 390 Ca 0.17 0.73 -0.13 0.00 0.00 0.00 0.00 51.96 52.73 1g94 s ALA 390 Cb 0.15 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1g94 s ALA 390 CO 0.02 -1.46 0.26 0.99 0.00 0.00 0.00 175.76 175.57 1g94 s THR 391 N -2.11 5.28 0.13 0.00 2.01 -1.26 -1.51 115.64 118.18 1g94 s THR 391 Ca 0.71 0.38 0.09 0.00 0.31 0.00 0.00 61.69 63.18 1g94 s THR 391 Cb -0.25 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1g94 s THR 391 CO 0.41 0.27 -0.18 0.68 -0.69 0.00 0.00 174.62 175.12 1g94 s VAL 392 N 1.42 2.84 -0.02 3.82 -7.23 -0.39 -4.93 120.40 115.90 1g94 s VAL 392 Ca 0.12 -1.54 -0.20 0.00 -1.81 0.00 0.00 61.98 58.55 1g94 s VAL 392 Cb -0.15 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 1g94 s VAL 392 CO 0.07 0.07 0.56 -1.58 -0.31 0.00 0.00 175.10 173.92 1g94 s GLN 393 N -2.22 4.28 0.31 4.82 2.00 -1.26 -1.20 119.66 126.39 1g94 s GLN 393 Ca 0.19 0.66 0.04 0.00 -2.00 0.00 0.00 55.36 54.24 1g94 s GLN 393 Cb -0.10 -3.35 -0.06 0.00 0.80 0.00 0.00 33.01 30.30 1g94 s GLN 393 CO 0.10 0.36 0.05 0.95 -0.50 0.00 0.00 175.29 176.25 1g94 s THR 394 N -0.13 1.19 -0.64 -0.34 -4.23 -0.62 -4.87 115.64 106.00 1g94 s THR 394 Ca 0.30 -2.01 0.15 0.00 -1.18 0.00 0.00 61.69 58.95 1g94 s THR 394 Cb -0.18 -2.73 0.56 0.00 1.34 0.00 0.00 72.50 71.50 1g94 s THR 394 CO 0.16 -0.05 1.48 0.47 -0.54 0.00 0.00 174.62 176.14 1g94 n ASP 395 N -0.65 4.12 -4.87 3.99 10.43 -1.26 -4.70 116.55 123.61 1g94 n ASP 395 Ca -0.03 -2.61 -0.31 0.00 2.57 0.00 0.00 54.79 54.42 1g94 n ASP 395 Cb 0.66 -0.50 -0.04 0.00 1.84 0.00 0.00 41.12 43.08 1g94 n ASP 395 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 1g94 s MET 396 N -2.11 3.83 0.31 -1.24 -1.94 -1.26 -4.17 119.30 112.72 1g94 s MET 396 Ca 0.42 0.46 -0.29 0.00 -1.71 0.00 0.00 55.69 54.56 1g94 s MET 396 Cb 0.29 -2.46 -0.10 0.00 2.01 0.00 0.00 34.83 34.57 1g94 s MET 396 CO 0.16 0.10 1.38 0.00 -0.01 0.00 0.00 175.02 176.65 1g94 s ALA 397 N -2.15 3.56 0.67 3.03 0.00 -1.26 -4.62 121.76 120.98 1g94 s ALA 397 Ca 0.51 1.34 -0.17 0.00 0.00 0.00 0.00 51.96 53.63 1g94 s ALA 397 Cb -0.10 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1g94 s ALA 397 CO 0.25 -0.74 1.28 -1.54 0.00 0.00 0.00 175.76 175.01 1g94 s SER 398 N -0.13 4.47 0.00 0.00 1.04 -1.26 -4.82 113.70 112.99 1g94 s SER 398 Ca 0.53 2.57 0.00 0.00 0.48 0.00 0.00 55.95 59.53 1g94 s SER 398 Cb -0.42 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.09 1g94 s SER 398 CO 0.51 -2.09 0.00 0.61 0.98 0.00 0.00 173.24 173.25 1g94 n GLY 399 N 0.81 0.40 3.27 7.32 0.00 -0.50 -4.95 105.19 111.53 1g94 n GLY 399 Ca 0.15 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 1g94 n GLY 399 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g94 s GLN 400 N -2.00 2.88 0.14 1.61 -0.21 -1.26 -0.93 119.66 119.88 1g94 s GLN 400 Ca 0.00 -0.86 0.07 0.00 0.02 0.00 0.00 55.36 54.59 1g94 s GLN 400 Cb 0.00 -2.29 -0.04 0.00 1.00 0.00 0.00 33.01 31.68 1g94 s GLN 400 CO 0.00 0.28 -0.16 0.71 -2.12 0.00 0.00 175.29 174.00 1g94 s TYR 401 N 0.10 1.60 0.05 0.91 2.02 -0.02 -0.47 117.35 121.53 1g94 s TYR 401 Ca -0.11 -0.51 -0.24 0.00 -0.37 0.00 0.00 57.07 55.84 1g94 s TYR 401 Cb -0.16 -0.82 -0.06 0.00 -0.40 0.00 0.00 41.96 40.52 1g94 s TYR 401 CO 0.06 0.22 0.74 0.00 -1.57 0.00 0.00 175.55 175.01 1g94 s ASN 403 N -0.14 5.95 0.00 0.00 3.84 -0.70 -4.60 114.94 119.29 1g94 s ASN 403 Ca 0.37 0.24 0.09 0.00 0.21 0.00 0.00 52.86 53.78 1g94 s ASN 403 Cb -0.20 -2.54 0.42 0.00 -0.55 0.00 0.00 41.25 38.37 1g94 s ASN 403 CO 0.22 -1.86 1.27 1.33 -2.79 0.00 0.00 177.10 175.27 1g94 n VAL 404 N 6.89 1.22 0.22 -5.21 0.24 -0.52 -1.67 118.33 119.49 1g94 n VAL 404 Ca 0.13 0.30 0.12 0.00 -2.04 0.00 0.00 64.34 62.86 1g94 n VAL 404 Cb 0.50 -1.14 0.17 0.00 -1.47 0.00 0.00 33.84 31.89 1g94 n VAL 404 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1g94 h LEU 405 N 0.00 0.00 -0.85 1.34 4.07 -1.84 -3.36 115.31 114.68 1g94 h LEU 405 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1g94 h LEU 405 Cb 0.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.88 1g94 h LEU 405 CO 0.00 0.01 -0.00 0.29 -1.08 0.00 0.00 178.44 177.65 1g94 n LYS 406 N -3.10 0.33 -3.07 1.13 5.02 -0.67 -3.67 118.16 114.12 1g94 n LYS 406 Ca 0.04 -0.44 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 1g94 n LYS 406 Cb 0.53 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 1g94 n LYS 406 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1g94 n GLY 407 N 0.18 -1.24 3.27 0.72 0.00 -0.95 -4.04 105.19 103.12 1g94 n GLY 407 Ca 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 1g94 n GLY 407 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1g94 s GLU 408 N -0.54 1.08 0.24 1.61 -1.05 -1.26 -4.12 118.70 114.66 1g94 s GLU 408 Ca 0.00 -1.29 -0.30 0.00 -0.15 0.00 0.00 54.97 53.24 1g94 s GLU 408 Cb 0.00 0.33 -0.09 0.00 -0.44 0.00 0.00 34.13 33.93 1g94 s GLU 408 CO 0.00 -0.36 1.05 -1.17 0.95 0.00 0.00 175.26 175.73 1g94 s LEU 409 N -3.00 4.56 0.88 1.83 2.96 -1.26 -1.58 118.68 123.06 1g94 s LEU 409 Ca 0.20 2.13 -0.12 0.00 -0.22 0.00 0.00 54.13 56.13 1g94 s LEU 409 Cb 0.05 -3.62 0.12 0.00 0.50 0.00 0.00 46.19 43.24 1g94 s LEU 409 CO 0.01 -0.08 1.10 -0.94 -1.32 0.00 0.00 176.35 175.12 1g94 s SER 410 N -0.74 3.75 0.22 3.68 1.04 -0.11 -4.90 113.70 116.64 1g94 s SER 410 Ca 0.45 1.30 -0.08 0.00 0.48 0.00 0.00 55.95 58.10 1g94 s SER 410 Cb -0.30 -1.98 0.28 0.00 0.10 0.00 0.00 66.02 64.13 1g94 s SER 410 CO 0.37 -2.44 1.83 0.00 0.98 0.00 0.00 173.24 173.97 1g94 h ALA 411 N -1.41 1.02 -0.01 5.32 0.00 -1.96 -0.76 119.26 121.45 1g94 h ALA 411 Ca -0.49 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1g94 h ALA 411 Cb 1.29 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1g94 h ALA 411 CO 0.58 0.14 0.00 -0.40 0.00 0.00 0.00 179.25 179.57 1g94 n ASP 412 N -4.72 0.34 -2.22 0.00 3.85 -1.26 -4.90 116.55 107.64 1g94 n ASP 412 Ca 0.10 -1.20 -0.19 0.00 -0.71 0.00 0.00 54.79 52.79 1g94 n ASP 412 Cb 0.18 -0.01 -0.03 0.00 -1.35 0.00 0.00 41.12 39.92 1g94 n ASP 412 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1g94 n ALA 413 N -0.69 -0.57 0.76 2.12 0.00 -0.29 -4.87 120.51 116.96 1g94 n ALA 413 Ca 0.21 0.19 0.09 0.00 0.00 0.00 0.00 53.44 53.93 1g94 n ALA 413 Cb 0.15 -2.02 0.07 0.00 0.00 0.00 0.00 19.45 17.65 1g94 n ALA 413 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1g94 n LYS 414 N -2.81 1.54 -3.57 0.00 5.02 -1.26 -0.96 118.16 116.11 1g94 n LYS 414 Ca -0.22 -1.49 -0.10 0.00 -2.02 0.00 0.00 58.31 54.49 1g94 n LYS 414 Cb 0.66 -1.34 -0.02 0.00 -0.02 0.00 0.00 35.03 34.31 1g94 n LYS 414 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1g94 s SER 415 N -1.58 -0.44 0.31 4.39 1.04 -1.26 -4.88 113.70 111.28 1g94 s SER 415 Ca 0.20 -0.19 0.11 0.00 0.48 0.00 0.00 55.95 56.55 1g94 s SER 415 Cb 0.15 0.61 -0.05 0.00 0.10 0.00 0.00 66.02 66.82 1g94 s SER 415 CO 0.26 -1.03 -0.12 0.00 0.98 0.00 0.00 173.24 173.32 1g94 n SER 417 N -0.75 0.63 -1.78 0.00 3.41 -0.61 -4.93 113.62 109.59 1g94 n SER 417 Ca -0.05 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 1g94 n SER 417 Cb 0.61 1.02 0.00 0.00 -0.26 0.00 0.00 64.21 65.58 1g94 n SER 417 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1g94 n GLY 418 N 1.40 4.41 3.73 5.00 0.00 -1.26 -4.83 105.19 113.64 1g94 n GLY 418 Ca 0.02 -2.15 -0.35 0.00 0.00 0.00 0.00 46.02 43.54 1g94 n GLY 418 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1g94 s GLU 419 N -1.80 2.33 -0.12 1.61 -1.05 -1.26 -4.80 118.70 113.61 1g94 s GLU 419 Ca 0.00 1.87 -0.05 0.00 -0.15 0.00 0.00 54.97 56.63 1g94 s GLU 419 Cb 0.00 -1.84 -0.04 0.00 -0.44 0.00 0.00 34.13 31.81 1g94 s GLU 419 CO 0.00 -1.71 0.08 0.08 0.95 0.00 0.00 175.26 174.66 1g94 s VAL 420 N -1.76 4.98 -0.09 1.83 1.01 -1.26 -1.72 120.40 123.39 1g94 s VAL 420 Ca 0.77 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.78 1g94 s VAL 420 Cb -0.32 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1g94 s VAL 420 CO 0.42 0.58 -0.13 -0.63 0.00 0.00 0.00 175.10 175.35 1g94 s ILE 421 N -0.72 3.17 -0.15 2.22 -1.09 0.59 -4.92 121.20 120.30 1g94 s ILE 421 Ca 0.12 -0.66 -0.04 0.00 -2.23 0.00 0.00 60.65 57.85 1g94 s ILE 421 Cb -0.12 -2.29 -0.03 0.00 -1.58 0.00 0.00 42.46 38.44 1g94 s ILE 421 CO 0.03 0.56 -0.02 -0.89 -1.23 0.00 0.00 174.94 173.38 1g94 s THR 422 N -0.26 4.04 -0.32 2.92 2.01 -1.26 -0.84 115.64 121.93 1g94 s THR 422 Ca 0.02 -0.31 -0.11 0.00 0.31 0.00 0.00 61.69 61.60 1g94 s THR 422 Cb -0.13 -2.77 -0.01 0.00 0.01 0.00 0.00 72.50 69.60 1g94 s THR 422 CO 0.03 0.50 0.18 -0.69 -0.69 0.00 0.00 174.62 173.95 1g94 s VAL 423 N 0.28 4.85 1.06 3.82 1.01 -0.10 -4.48 120.40 126.83 1g94 s VAL 423 Ca -0.02 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 1g94 s VAL 423 Cb -0.14 -3.48 0.22 0.00 0.00 0.00 0.00 36.38 32.99 1g94 s VAL 423 CO 0.02 0.04 1.07 0.20 0.00 0.00 0.00 175.10 176.43 1g94 s ASN 424 N 1.65 1.97 0.67 3.32 0.02 -0.18 -1.41 114.94 120.98 1g94 s ASN 424 Ca 0.05 1.38 0.44 0.00 -1.02 0.00 0.00 52.86 53.71 1g94 s ASN 424 Cb -0.17 -2.09 2.41 0.00 0.02 0.00 0.00 41.25 41.42 1g94 s ASN 424 CO 0.08 -3.57 2.37 0.77 0.02 0.00 0.00 177.10 176.77 1g94 h SER 425 N -2.19 0.00 -0.61 -1.22 4.64 -1.96 -0.54 113.55 111.67 1g94 h SER 425 Ca -0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1g94 h SER 425 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1g94 h SER 425 CO 0.54 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.60 1g94 n ASP 426 N -3.13 3.58 0.00 4.97 5.68 -1.26 -4.86 116.55 121.53 1g94 n ASP 426 Ca -0.03 -2.10 0.00 0.00 -0.50 0.00 0.00 54.79 52.16 1g94 n ASP 426 Cb 0.07 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.60 1g94 n ASP 426 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1g94 n GLY 427 N 1.37 1.38 3.90 6.12 0.00 -0.21 -4.88 105.19 112.87 1g94 n GLY 427 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 1g94 n GLY 427 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1g94 s THR 428 N -3.48 4.65 -0.05 2.61 -4.23 -1.26 -1.58 115.64 112.29 1g94 s THR 428 Ca 0.00 0.37 0.03 0.00 -1.18 0.00 0.00 61.69 60.90 1g94 s THR 428 Cb 0.00 -3.80 0.01 0.00 1.34 0.00 0.00 72.50 70.04 1g94 s THR 428 CO 0.00 -0.88 -0.13 -0.63 -0.54 0.00 0.00 174.62 172.45 1g94 s ILE 429 N -2.91 1.13 -0.66 2.99 1.01 -0.34 -1.01 121.20 121.41 1g94 s ILE 429 Ca 0.51 -0.51 -0.18 0.00 0.00 0.00 0.00 60.65 60.46 1g94 s ILE 429 Cb -0.11 -1.00 0.12 0.00 0.01 0.00 0.00 42.46 41.48 1g94 s ILE 429 CO 0.48 0.34 0.75 0.20 0.00 0.00 0.00 174.94 176.71 1g94 s ASN 430 N 0.38 6.31 0.72 3.58 0.01 -1.26 -1.27 114.94 123.41 1g94 s ASN 430 Ca -0.09 -1.68 -0.15 0.00 -0.71 0.00 0.00 52.86 50.23 1g94 s ASN 430 Cb -0.13 -2.30 0.04 0.00 0.41 0.00 0.00 41.25 39.27 1g94 s ASN 430 CO 0.02 -1.03 1.21 -0.76 -1.51 0.00 0.00 177.10 175.04 1g94 s LEU 431 N 2.31 3.34 -0.46 0.60 1.43 -0.57 -4.99 118.68 120.34 1g94 s LEU 431 Ca 0.14 2.38 0.07 0.00 -1.03 0.00 0.00 54.13 55.68 1g94 s LEU 431 Cb -0.21 -4.59 0.25 0.00 0.03 0.00 0.00 46.19 41.68 1g94 s LEU 431 CO 0.02 -2.24 0.84 -3.20 0.23 0.00 0.00 176.35 172.01 1g94 n ASN 432 N -2.65 -2.17 -4.34 2.29 5.15 -1.12 -4.11 115.26 108.30 1g94 n ASN 432 Ca 0.14 -3.23 -0.35 0.00 -0.60 0.00 0.00 54.58 50.54 1g94 n ASN 432 Cb 0.50 1.32 -0.14 0.00 -0.53 0.00 0.00 39.78 40.93 1g94 n ASN 432 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1g94 s ILE 433 N 0.22 3.48 1.09 -1.44 1.01 -0.63 -4.96 121.20 119.97 1g94 s ILE 433 Ca 0.32 -0.46 -0.13 0.00 0.00 0.00 0.00 60.65 60.38 1g94 s ILE 433 Cb 0.23 -2.58 0.24 0.00 0.01 0.00 0.00 42.46 40.35 1g94 s ILE 433 CO -0.20 0.42 1.07 -0.83 0.00 0.00 0.00 174.94 175.40 1g94 s GLY 434 N 1.38 1.55 0.34 6.18 0.00 -1.26 -0.65 107.32 114.85 1g94 s GLY 434 Ca 0.05 -0.35 -0.29 0.00 0.00 0.00 0.00 44.72 44.13 1g94 s GLY 434 CO -0.02 0.34 1.42 0.00 0.00 0.00 0.00 173.10 174.84 1g94 n ALA 435 N -4.52 1.88 -3.71 3.20 0.00 -1.26 -2.90 120.51 113.20 1g94 n ALA 435 Ca 0.04 0.36 -0.22 0.00 0.00 0.00 0.00 53.44 53.63 1g94 n ALA 435 Cb 0.57 -2.35 0.03 0.00 0.00 0.00 0.00 19.45 17.69 1g94 n ALA 435 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1g94 n TRP 436 N 0.80 -1.90 -4.20 0.00 7.02 0.20 -4.99 117.44 114.36 1g94 n TRP 436 Ca 0.05 0.81 -0.16 0.00 -1.02 0.00 0.00 57.50 57.18 1g94 n TRP 436 Cb 0.37 -4.29 -0.07 0.00 -2.42 0.00 0.00 31.31 24.90 1g94 n TRP 436 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1g94 s ASP 437 N -4.30 1.14 0.29 -0.99 3.68 -1.00 -5.01 116.67 110.49 1g94 s ASP 437 Ca 0.03 -1.59 -0.20 0.00 2.13 0.00 0.00 52.55 52.92 1g94 s ASP 437 Cb -0.01 0.56 0.02 0.00 -1.45 0.00 0.00 42.92 42.04 1g94 s ASP 437 CO 0.82 -1.10 0.73 0.00 0.13 0.00 0.00 175.17 175.75 1g94 s ALA 438 N -3.47 -1.17 0.00 3.66 0.00 -1.26 -1.17 121.76 118.36 1g94 s ALA 438 Ca 0.37 -0.36 -0.08 0.00 0.00 0.00 0.00 51.96 51.89 1g94 s ALA 438 Cb 0.02 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.98 1g94 s ALA 438 CO 0.22 -1.03 0.16 0.00 0.00 0.00 0.00 175.76 175.11 1g94 s MET 439 N -3.74 0.53 -0.15 0.00 0.23 -0.48 -4.96 119.30 110.73 1g94 s MET 439 Ca 0.11 -0.40 -0.09 0.00 -1.03 0.00 0.00 55.69 54.28 1g94 s MET 439 Cb -0.06 0.22 0.05 0.00 -1.53 0.00 0.00 34.83 33.51 1g94 s MET 439 CO 0.07 -0.13 0.36 0.00 -2.03 0.00 0.00 175.02 173.29 1g94 s ALA 440 N -1.49 -0.89 0.05 3.16 0.00 -1.26 -1.49 121.76 119.83 1g94 s ALA 440 Ca -0.14 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.13 1g94 s ALA 440 Cb -0.07 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 1g94 s ALA 440 CO 0.01 -0.23 -0.10 0.96 0.00 0.00 0.00 175.76 176.41 1g94 s ILE 441 N 1.08 0.73 0.07 0.00 -4.36 -0.35 -1.44 121.20 116.92 1g94 s ILE 441 Ca -0.07 -1.16 -0.05 0.00 -0.26 0.00 0.00 60.65 59.12 1g94 s ILE 441 Cb -0.07 -0.76 -0.02 0.00 1.25 0.00 0.00 42.46 42.85 1g94 s ILE 441 CO -0.09 -0.33 0.08 -1.38 0.24 0.00 0.00 174.94 173.46 1g94 s HIS 442 N -1.35 0.36 0.30 1.37 -3.43 -1.26 -1.33 115.29 109.95 1g94 s HIS 442 Ca -0.07 -0.85 0.32 0.00 -0.80 0.00 0.00 55.06 53.65 1g94 s HIS 442 Cb -0.10 -0.24 1.74 0.00 -1.43 0.00 0.00 32.58 32.55 1g94 s HIS 442 CO 0.01 -0.46 1.97 1.57 -2.00 0.00 0.00 174.74 175.83 1g94 h LYS 443 N 2.95 0.00 -0.69 -0.38 2.10 -1.32 -2.02 116.57 117.21 1g94 h LYS 443 Ca -0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 1g94 h LYS 443 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1g94 h LYS 443 CO 0.61 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.15 1g94 n ASN 444 N -2.67 4.34 -2.60 7.07 5.03 -1.26 -4.19 115.26 120.98 1g94 n ASN 444 Ca -0.02 -2.23 -0.14 0.00 0.87 0.00 0.00 54.58 53.05 1g94 n ASN 444 Cb 0.12 -0.54 0.02 0.00 -1.02 0.00 0.00 39.78 38.36 1g94 n ASN 444 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1g94 n ALA 445 N 1.37 3.92 -2.80 5.41 0.00 -0.76 -5.01 120.51 122.65 1g94 n ALA 445 Ca 0.25 -3.49 -0.35 0.00 0.00 0.00 0.00 53.44 49.85 1g94 n ALA 445 Cb 0.76 -0.80 -0.09 0.00 0.00 0.00 0.00 19.45 19.32 1g94 n ALA 445 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1g94 s LYS 446 N -3.30 3.93 0.53 0.00 2.20 -1.26 -1.91 119.74 119.93 1g94 s LYS 446 Ca 0.34 -0.31 -0.20 0.00 -0.36 0.00 0.00 55.97 55.44 1g94 s LYS 446 Cb 0.43 -3.23 -0.06 0.00 -1.51 0.00 0.00 37.83 33.46 1g94 s LYS 446 CO -0.03 0.34 1.13 -0.51 -0.36 0.00 0.00 175.35 175.92 1g94 s LEU 447 N 0.20 3.78 0.00 5.43 1.43 0.38 -4.97 118.68 124.93 1g94 s LEU 447 Ca 0.05 2.19 0.21 0.00 -1.03 0.00 0.00 54.13 55.55 1g94 s LEU 447 Cb -0.12 -4.54 0.16 0.00 0.03 0.00 0.00 46.19 41.72 1g94 s LEU 447 CO 0.00 -1.18 1.16 -3.20 0.23 0.00 0.00 176.35 173.36