#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjs s SER 3 N 0.00 6.84 -0.18 4.31 0.15 -1.26 -4.87 113.70 118.69 1sjs s SER 3 Ca 0.00 2.28 0.16 0.00 0.70 0.00 0.00 55.95 59.09 1sjs s SER 3 Cb 0.00 -2.58 0.61 0.00 -1.71 0.00 0.00 66.02 62.34 1sjs s SER 3 CO 0.00 -0.65 1.51 1.17 1.20 0.00 0.00 173.24 176.47 1sjs n LYS 4 N 4.13 3.50 -3.68 5.44 4.81 -1.26 -4.92 118.16 126.18 1sjs n LYS 4 Ca 0.12 -2.90 -0.37 0.00 -0.87 0.00 0.00 58.31 54.29 1sjs n LYS 4 Cb 0.43 -1.94 -0.11 0.00 0.02 0.00 0.00 35.03 33.43 1sjs n LYS 4 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1sjs s VAL 5 N -2.68 4.87 -0.44 3.15 1.01 -1.26 -5.06 120.40 119.99 1sjs s VAL 5 Ca 0.45 0.02 -0.20 0.00 0.00 0.00 0.00 61.98 62.25 1sjs s VAL 5 Cb 0.35 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 33.46 1sjs s VAL 5 CO 0.12 0.30 0.59 -0.69 0.00 0.00 0.00 175.10 175.42 1sjs s VAL 6 N 1.59 4.90 0.01 2.92 1.01 -1.26 -5.03 120.40 124.53 1sjs s VAL 6 Ca 0.07 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1sjs s VAL 6 Cb -0.15 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 1sjs s VAL 6 CO 0.07 -0.57 1.34 -0.69 0.00 0.00 0.00 175.10 175.25 1sjs s VAL 7 N 2.63 3.80 0.63 2.92 1.01 -1.26 -4.83 120.40 125.31 1sjs s VAL 7 Ca 0.19 1.21 -0.18 0.00 0.00 0.00 0.00 61.98 63.20 1sjs s VAL 7 Cb -0.15 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 1sjs s VAL 7 CO 0.17 0.02 0.79 -2.65 0.00 0.00 0.00 175.10 173.43 1sjs n PRO 8 N 5.05 0.65 0.05 2.72 -0.02 -1.26 -4.93 135.00 137.26 1sjs n PRO 8 Ca 0.12 0.26 -0.19 0.00 -2.02 0.00 0.00 63.50 61.68 1sjs n PRO 8 Cb 0.44 -2.01 -0.09 0.00 -0.02 0.00 0.00 33.50 31.82 1sjs n PRO 8 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sjs h ALA 9 N 0.18 0.18 -2.77 3.55 0.00 -2.01 -3.44 119.26 114.96 1sjs h ALA 9 Ca -0.47 -0.71 -0.61 0.00 0.00 0.00 0.00 54.91 53.12 1sjs h ALA 9 Cb 1.37 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1sjs h ALA 9 CO 0.48 0.72 -0.40 1.14 0.00 0.00 0.00 179.25 181.19 1sjs s GLN 10 N -3.29 3.55 0.00 0.00 0.00 -1.26 -5.01 119.66 113.65 1sjs s GLN 10 Ca -0.09 -0.18 0.00 0.00 -0.00 0.00 0.00 55.36 55.09 1sjs s GLN 10 Cb 0.07 -3.01 0.00 0.00 0.00 0.00 0.00 33.01 30.07 1sjs s GLN 10 CO 0.91 0.59 0.00 0.41 0.00 0.00 0.00 175.29 177.20 1sjs n GLY 11 N 0.64 3.22 3.11 2.60 0.00 -1.26 -4.85 105.19 108.65 1sjs n GLY 11 Ca -0.07 -1.73 -0.17 0.00 0.00 0.00 0.00 46.02 44.04 1sjs n GLY 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sjs s LYS 12 N -4.07 0.75 0.46 1.61 2.20 -0.10 -4.90 119.74 115.69 1sjs s LYS 12 Ca 0.00 -0.74 -0.14 0.00 -0.36 0.00 0.00 55.97 54.74 1sjs s LYS 12 Cb 0.00 -0.70 -0.07 0.00 -1.51 0.00 0.00 37.83 35.55 1sjs s LYS 12 CO 0.00 0.16 0.88 -1.59 -0.36 0.00 0.00 175.35 174.44 1sjs s LYS 13 N -1.26 3.87 0.12 4.03 -2.85 -1.26 -2.42 119.74 119.97 1sjs s LYS 13 Ca -0.02 0.72 -0.30 0.00 -1.00 0.00 0.00 55.97 55.37 1sjs s LYS 13 Cb -0.08 -2.26 -0.07 0.00 -2.06 0.00 0.00 37.83 33.36 1sjs s LYS 13 CO 0.01 -0.15 1.14 0.42 0.10 0.00 0.00 175.35 176.87 1sjs s ILE 14 N -2.49 3.98 0.08 3.79 1.01 -1.26 -4.74 121.20 121.57 1sjs s ILE 14 Ca 0.55 1.56 0.01 0.00 0.00 0.00 0.00 60.65 62.78 1sjs s ILE 14 Cb -0.10 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1sjs s ILE 14 CO 0.31 0.20 0.18 -0.89 0.00 0.00 0.00 174.94 174.74 1sjs s THR 15 N 0.38 5.12 -0.23 2.92 2.01 -0.48 -4.72 115.64 120.64 1sjs s THR 15 Ca 0.53 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.97 1sjs s THR 15 Cb -0.29 -3.51 0.02 0.00 0.01 0.00 0.00 72.50 68.73 1sjs s THR 15 CO 0.32 0.10 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.03 1sjs s LEU 16 N -2.60 2.86 -0.06 4.42 1.98 -1.26 0.30 118.68 124.33 1sjs s LEU 16 Ca 0.33 -0.78 -0.02 0.00 -2.89 0.00 0.00 54.13 50.77 1sjs s LEU 16 Cb -0.12 -1.61 0.04 0.00 0.66 0.00 0.00 46.19 45.15 1sjs s LEU 16 CO 0.26 -0.08 0.12 -1.10 -1.89 0.00 0.00 176.35 173.67 1sjs s GLN 17 N 1.32 0.07 -1.39 1.98 -1.52 0.12 -4.90 119.66 115.34 1sjs s GLN 17 Ca 0.02 0.34 -0.03 0.00 -1.95 0.00 0.00 55.36 53.73 1sjs s GLN 17 Cb -0.15 -0.19 0.02 0.00 -0.22 0.00 0.00 33.01 32.46 1sjs s GLN 17 CO -0.07 -0.17 0.66 0.27 -0.25 0.00 0.00 175.29 175.73 1sjs n ASN 18 N 4.21 -1.53 0.00 5.90 6.94 -1.26 -1.43 115.26 128.09 1sjs n ASN 18 Ca -0.27 -0.88 0.00 0.00 -0.02 0.00 0.00 54.58 53.41 1sjs n ASN 18 Cb 0.51 -3.65 0.00 0.00 -2.36 0.00 0.00 39.78 34.28 1sjs n ASN 18 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sjs n GLY 19 N -1.71 1.78 3.97 4.83 0.00 -1.26 -4.95 105.19 107.85 1sjs n GLY 19 Ca -0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 1sjs n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjs s LYS 20 N 0.00 3.34 -0.13 1.61 1.02 -0.51 -5.10 119.74 119.96 1sjs s LYS 20 Ca 0.00 -0.78 -0.07 0.00 0.02 0.00 0.00 55.97 55.14 1sjs s LYS 20 Cb 0.00 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 1sjs s LYS 20 CO 0.00 0.27 0.14 -0.51 -0.92 0.00 0.00 175.35 174.33 1sjs s LEU 21 N -4.09 4.37 -0.45 3.17 1.43 -1.26 -0.70 118.68 121.14 1sjs s LEU 21 Ca 0.38 0.44 -0.09 0.00 -1.03 0.00 0.00 54.13 53.84 1sjs s LEU 21 Cb -0.09 -2.07 0.11 0.00 0.03 0.00 0.00 46.19 44.16 1sjs s LEU 21 CO 0.31 0.39 0.32 0.21 0.23 0.00 0.00 176.35 177.80 1sjs s ASN 22 N -0.88 5.68 -0.30 2.29 2.47 0.15 -4.95 114.94 119.39 1sjs s ASN 22 Ca 0.14 -1.79 -0.12 0.00 0.42 0.00 0.00 52.86 51.52 1sjs s ASN 22 Cb -0.12 -2.00 -0.04 0.00 -1.45 0.00 0.00 41.25 37.64 1sjs s ASN 22 CO 0.03 -0.64 0.21 -0.69 -3.72 0.00 0.00 177.10 172.29 1sjs s VAL 23 N 1.38 5.30 0.88 -5.21 1.01 -1.26 -1.38 120.40 121.12 1sjs s VAL 23 Ca 0.05 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 1sjs s VAL 23 Cb -0.25 -3.59 0.12 0.00 0.00 0.00 0.00 36.38 32.66 1sjs s VAL 23 CO 0.00 0.17 1.14 -2.16 0.00 0.00 0.00 175.10 174.24 1sjs s PRO 24 N 1.75 1.37 0.33 2.72 0.04 -1.26 -4.96 135.00 134.98 1sjs s PRO 24 Ca 0.07 0.31 0.26 0.00 0.04 0.00 0.00 61.00 61.68 1sjs s PRO 24 Cb -0.16 -1.86 1.04 0.00 0.04 0.00 0.00 34.50 33.55 1sjs s PRO 24 CO 0.11 -2.05 1.78 0.93 0.04 0.00 0.00 177.00 177.81 1sjs h GLU 25 N -1.39 0.00 -2.05 4.56 5.08 -1.93 -3.29 114.58 115.56 1sjs h GLU 25 Ca -0.50 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.29 1sjs h GLU 25 Cb 1.32 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.18 1sjs h GLU 25 CO 0.62 0.00 -0.96 -1.71 -1.00 0.00 0.00 179.01 175.96 1sjs n ASN 26 N -2.47 1.18 -4.80 1.42 4.05 -1.25 -1.87 115.26 111.52 1sjs n ASN 26 Ca 0.02 -2.90 -0.34 0.00 0.45 0.00 0.00 54.58 51.81 1sjs n ASN 26 Cb 0.28 -0.65 -0.03 0.00 1.23 0.00 0.00 39.78 40.61 1sjs n ASN 26 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1sjs s PRO 27 N -1.54 3.77 -0.30 1.20 0.04 -1.23 -0.92 135.00 136.01 1sjs s PRO 27 Ca 0.36 1.29 -0.16 0.00 0.04 0.00 0.00 61.00 62.54 1sjs s PRO 27 Cb 0.16 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 1sjs s PRO 27 CO -0.08 -0.45 0.42 0.42 0.04 0.00 0.00 177.00 177.35 1sjs s ILE 28 N -2.11 5.13 -0.25 0.56 1.01 -1.01 -1.22 121.20 123.31 1sjs s ILE 28 Ca 0.66 0.47 -0.03 0.00 0.00 0.00 0.00 60.65 61.75 1sjs s ILE 28 Cb -0.15 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.55 1sjs s ILE 28 CO 0.23 0.03 -0.04 -0.63 0.00 0.00 0.00 174.94 174.52 1sjs s ILE 29 N 2.15 3.09 0.41 2.92 -1.09 -1.01 -4.76 121.20 122.92 1sjs s ILE 29 Ca 0.16 -0.88 -0.24 0.00 -2.23 0.00 0.00 60.65 57.46 1sjs s ILE 29 Cb -0.16 -2.53 -0.08 0.00 -1.58 0.00 0.00 42.46 38.10 1sjs s ILE 29 CO 0.11 0.24 1.13 -2.84 -1.23 0.00 0.00 174.94 172.34 1sjs s PRO 30 N 1.38 4.05 -0.03 2.79 0.02 -1.25 -1.60 135.00 140.35 1sjs s PRO 30 Ca 0.02 1.72 -0.03 0.00 0.02 0.00 0.00 61.00 62.72 1sjs s PRO 30 Cb -0.16 -2.59 0.01 0.00 0.02 0.00 0.00 34.50 31.77 1sjs s PRO 30 CO -0.04 -0.29 0.09 1.52 -0.33 0.00 0.00 177.00 177.95 1sjs s TYR 31 N -1.51 -0.07 -0.26 6.54 1.13 0.11 -2.69 117.35 120.60 1sjs s TYR 31 Ca 0.58 0.18 -0.05 0.00 -1.41 0.00 0.00 57.07 56.37 1sjs s TYR 31 Cb -0.27 0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.60 1sjs s TYR 31 CO 0.34 -0.08 0.02 0.42 -2.51 0.00 0.00 175.55 173.75 1sjs s ILE 32 N -0.15 3.69 0.21 -3.49 1.01 -0.02 -1.51 121.20 120.93 1sjs s ILE 32 Ca -0.02 -0.61 -0.10 0.00 0.00 0.00 0.00 60.65 59.91 1sjs s ILE 32 Cb -0.02 -2.81 0.15 0.00 0.01 0.00 0.00 42.46 39.79 1sjs s ILE 32 CO 0.00 0.23 1.86 -0.08 0.00 0.00 0.00 174.94 176.95 1sjs h GLU 33 N 8.17 1.01 0.00 2.79 4.81 -1.86 0.88 114.58 130.37 1sjs h GLU 33 Ca -0.35 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1sjs h GLU 33 Cb 1.14 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1sjs h GLU 33 CO 0.59 0.70 0.00 0.41 -0.73 0.00 0.00 179.01 179.98 1sjs n GLY 34 N -1.23 0.42 3.93 1.92 0.00 -1.26 -3.77 105.19 105.20 1sjs n GLY 34 Ca 0.07 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.08 1sjs n GLY 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sjs s ASP 35 N -1.51 5.80 1.76 1.61 1.01 0.13 -4.20 116.67 121.26 1sjs s ASP 35 Ca 0.00 0.58 0.00 0.00 0.71 0.00 0.00 52.55 53.84 1sjs s ASP 35 Cb 0.00 -1.73 0.00 0.00 1.01 0.00 0.00 42.92 42.20 1sjs s ASP 35 CO 0.00 -0.84 0.00 0.61 0.21 0.00 0.00 175.17 175.15 1sjs n GLY 36 N -2.33 3.02 0.00 0.21 0.00 -1.26 -2.28 105.19 102.54 1sjs n GLY 36 Ca 0.03 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 45.89 1sjs n GLY 36 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1sjs n ILE 37 N 0.00 0.54 0.15 -0.61 -5.35 0.66 -2.65 119.36 112.10 1sjs n ILE 37 Ca 0.00 0.14 0.14 0.00 -0.27 0.00 0.00 62.75 62.76 1sjs n ILE 37 Cb 0.00 -0.98 0.69 0.00 -1.74 0.00 0.00 39.64 37.60 1sjs n ILE 37 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1sjs h GLY 38 N 1.54 0.00 2.00 3.28 0.00 -1.65 0.34 103.07 108.57 1sjs h GLY 38 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1sjs h GLY 38 CO 0.00 0.00 -0.05 -0.24 0.00 0.00 0.00 176.54 176.25 1sjs h VAL 39 N 0.00 0.18 0.00 4.60 3.04 -1.67 -1.72 116.25 120.67 1sjs h VAL 39 Ca 0.11 -0.44 -0.18 0.00 -1.01 0.00 0.00 66.70 65.19 1sjs h VAL 39 Cb 0.47 1.36 -0.03 0.00 -2.01 0.00 0.00 31.29 31.08 1sjs h VAL 39 CO -0.00 0.05 -1.36 0.47 -1.01 0.00 0.00 177.57 175.71 1sjs n ASP 40 N -3.24 1.89 -0.24 3.17 8.00 0.11 -4.50 116.55 121.74 1sjs n ASP 40 Ca -0.01 0.43 -0.08 0.00 0.71 0.00 0.00 54.79 55.84 1sjs n ASP 40 Cb 0.24 -0.85 0.04 0.00 -0.02 0.00 0.00 41.12 40.53 1sjs n ASP 40 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1sjs h VAL 41 N -1.00 1.26 0.06 2.53 -1.51 -1.27 -3.25 116.25 113.07 1sjs h VAL 41 Ca -0.27 -1.06 0.00 0.00 -1.23 0.00 0.00 66.70 64.14 1sjs h VAL 41 Cb 1.12 0.64 -0.01 0.00 -2.13 0.00 0.00 31.29 30.92 1sjs h VAL 41 CO -0.17 0.40 -0.05 0.74 -1.23 0.00 0.00 177.57 177.26 1sjs h THR 42 N 1.04 0.88 -0.83 7.19 2.02 -1.55 -1.23 112.91 120.43 1sjs h THR 42 Ca 0.20 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.49 1sjs h THR 42 Cb 0.46 0.88 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 1sjs h THR 42 CO 0.01 0.00 0.54 -0.65 0.37 0.00 0.00 175.52 175.79 1sjs h PRO 43 N -0.12 0.71 -0.49 6.66 0.11 -1.78 0.63 132.00 137.72 1sjs h PRO 43 Ca 0.00 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 1sjs h PRO 43 Cb 0.12 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 1sjs h PRO 43 CO -0.01 0.47 0.13 0.00 -0.21 0.00 0.00 178.00 178.38 1sjs h ALA 44 N 1.59 0.65 -0.19 -0.75 0.00 -1.50 -2.49 119.26 116.57 1sjs h ALA 44 Ca 0.39 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1sjs h ALA 44 Cb 0.51 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1sjs h ALA 44 CO -0.16 0.33 0.12 1.98 0.00 0.00 0.00 179.25 181.52 1sjs h MET 45 N 0.67 0.26 -0.97 0.00 -1.53 0.26 -1.18 114.93 112.44 1sjs h MET 45 Ca 0.16 -0.02 0.04 0.00 -3.44 0.00 0.00 59.70 56.44 1sjs h MET 45 Cb 0.32 -0.06 -0.06 0.00 -0.55 0.00 0.00 31.60 31.25 1sjs h MET 45 CO 0.00 0.20 0.63 -0.07 0.14 0.00 0.00 176.91 177.82 1sjs h LEU 46 N 0.24 1.04 -0.27 3.39 3.38 -0.97 -0.77 115.31 121.35 1sjs h LEU 46 Ca 0.07 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1sjs h LEU 46 Cb 0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1sjs h LEU 46 CO -0.01 0.70 -0.17 0.50 0.09 0.00 0.00 178.44 179.55 1sjs h LYS 47 N 1.20 0.59 -0.30 1.13 3.64 -1.14 -1.65 116.57 120.05 1sjs h LYS 47 Ca 0.39 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1sjs h LYS 47 Cb 0.05 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1sjs h LYS 47 CO -0.13 0.86 0.07 0.28 -2.27 0.00 0.00 179.45 178.25 1sjs h VAL 48 N 0.32 1.22 -0.30 2.00 2.07 -0.82 -2.11 116.25 118.63 1sjs h VAL 48 Ca 0.05 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1sjs h VAL 48 Cb 0.70 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1sjs h VAL 48 CO 0.05 0.25 0.14 0.58 0.02 0.00 0.00 177.57 178.60 1sjs h VAL 49 N 0.32 1.16 -1.00 2.57 2.07 -1.16 -1.52 116.25 118.69 1sjs h VAL 49 Ca 0.09 -0.46 0.07 0.00 0.82 0.00 0.00 66.70 67.22 1sjs h VAL 49 Cb 0.31 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 1sjs h VAL 49 CO 0.00 0.17 0.65 0.44 0.02 0.00 0.00 177.57 178.85 1sjs h ASP 50 N 0.35 1.04 -0.36 0.57 3.32 -1.22 -0.76 116.42 119.36 1sjs h ASP 50 Ca 0.10 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 1sjs h ASP 50 Cb 0.13 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1sjs h ASP 50 CO -0.01 0.66 -0.23 0.00 -1.72 0.00 0.00 179.24 177.94 1sjs h ALA 51 N 1.45 0.51 -0.56 3.45 0.00 -1.13 -0.97 119.26 122.01 1sjs h ALA 51 Ca 0.43 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1sjs h ALA 51 Cb 0.17 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1sjs h ALA 51 CO -0.17 0.49 0.31 0.00 0.00 0.00 0.00 179.25 179.88 1sjs h ALA 52 N 0.78 0.72 0.17 0.00 0.00 -0.53 0.12 119.26 120.51 1sjs h ALA 52 Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1sjs h ALA 52 Cb 0.79 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1sjs h ALA 52 CO 0.06 -0.00 -0.08 0.28 0.00 0.00 0.00 179.25 179.51 1sjs h VAL 53 N 0.61 0.95 -0.81 0.00 2.07 -1.10 -1.46 116.25 116.52 1sjs h VAL 53 Ca 0.24 -0.65 0.11 0.00 0.82 0.00 0.00 66.70 67.22 1sjs h VAL 53 Cb 0.09 1.35 -0.08 0.00 -1.52 0.00 0.00 31.29 31.13 1sjs h VAL 53 CO -0.13 0.15 0.43 -0.08 0.02 0.00 0.00 177.57 177.95 1sjs h GLU 54 N -0.55 0.67 -0.01 1.57 4.57 -0.94 -1.06 114.58 118.82 1sjs h GLU 54 Ca -0.02 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1sjs h GLU 54 Cb 0.42 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1sjs h GLU 54 CO 0.04 0.44 -0.06 -0.22 -1.18 0.00 0.00 179.01 178.03 1sjs h LYS 55 N 0.69 0.06 -0.44 1.92 3.64 -0.77 0.66 116.57 122.32 1sjs h LYS 55 Ca 0.41 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.65 1sjs h LYS 55 Cb 0.47 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1sjs h LYS 55 CO -0.29 0.73 -0.07 0.00 -2.27 0.00 0.00 179.45 177.55 1sjs h ALA 56 N 0.33 1.04 -0.13 5.00 0.00 -1.14 -3.24 119.26 121.13 1sjs h ALA 56 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1sjs h ALA 56 Cb 0.75 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1sjs h ALA 56 CO 0.01 0.59 0.00 0.66 0.00 0.00 0.00 179.25 180.51 1sjs n TYR 57 N -4.18 0.16 -3.93 0.00 4.01 -0.41 -4.97 117.16 107.83 1sjs n TYR 57 Ca 0.02 -0.18 -0.38 0.00 -0.16 0.00 0.00 57.90 57.19 1sjs n TYR 57 Cb 0.34 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.38 1sjs n TYR 57 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1sjs n LYS 58 N 0.54 -0.71 0.00 -0.72 5.02 0.21 -1.70 118.16 120.81 1sjs n LYS 58 Ca 0.08 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1sjs n LYS 58 Cb 0.32 -2.78 0.00 0.00 -0.02 0.00 0.00 35.03 32.55 1sjs n LYS 58 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sjs n GLY 59 N -1.92 2.71 0.00 0.72 0.00 -1.18 -4.86 105.19 100.66 1sjs n GLY 59 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1sjs n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sjs n GLU 60 N -1.99 0.22 -3.99 1.61 -0.58 -0.69 -4.78 120.64 110.44 1sjs n GLU 60 Ca 0.00 0.06 -0.09 0.00 -0.42 0.00 0.00 57.16 56.71 1sjs n GLU 60 Cb 0.00 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.27 1sjs n GLU 60 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1sjs s ARG 61 N -2.74 0.43 -0.09 3.49 0.52 -1.26 -4.89 118.95 114.41 1sjs s ARG 61 Ca 0.19 -0.77 -0.30 0.00 -0.52 0.00 0.00 55.73 54.34 1sjs s ARG 61 Cb 0.17 0.16 0.07 0.00 0.52 0.00 0.00 34.95 35.86 1sjs s ARG 61 CO 0.41 -0.08 0.68 0.21 0.02 0.00 0.00 175.30 176.54 1sjs s LYS 62 N -2.21 1.01 -0.12 3.54 2.20 -0.78 -4.64 119.74 118.74 1sjs s LYS 62 Ca -0.09 0.40 -0.03 0.00 -0.36 0.00 0.00 55.97 55.88 1sjs s LYS 62 Cb -0.04 0.48 -0.03 0.00 -1.51 0.00 0.00 37.83 36.73 1sjs s LYS 62 CO -0.04 -0.29 0.00 0.42 -0.36 0.00 0.00 175.35 175.09 1sjs s ILE 63 N -0.89 4.31 -0.75 5.43 1.01 -1.26 -3.56 121.20 125.48 1sjs s ILE 63 Ca -0.09 -0.23 -0.13 0.00 0.00 0.00 0.00 60.65 60.21 1sjs s ILE 63 Cb -0.01 -2.86 0.20 0.00 0.01 0.00 0.00 42.46 39.80 1sjs s ILE 63 CO 0.08 0.55 0.67 -0.44 0.00 0.00 0.00 174.94 175.81 1sjs s SER 64 N -0.32 6.45 0.15 3.58 0.01 -0.35 -4.99 113.70 118.23 1sjs s SER 64 Ca 0.07 -2.57 -0.31 0.00 1.31 0.00 0.00 55.95 54.44 1sjs s SER 64 Cb -0.12 -2.16 -0.10 0.00 0.21 0.00 0.00 66.02 63.86 1sjs s SER 64 CO 0.02 -0.59 1.53 0.26 0.41 0.00 0.00 173.24 174.88 1sjs s TRP 65 N 0.36 3.10 -0.13 2.43 0.52 -1.26 -2.41 118.94 121.55 1sjs s TRP 65 Ca 0.15 0.69 0.01 0.00 0.02 0.00 0.00 56.10 56.98 1sjs s TRP 65 Cb -0.15 -3.88 0.02 0.00 -1.15 0.00 0.00 33.47 28.31 1sjs s TRP 65 CO -0.06 -3.21 -0.16 1.41 0.02 0.00 0.00 176.95 174.94 1sjs s MET 66 N 1.13 2.43 -0.21 4.98 1.75 -0.63 -4.90 119.30 123.87 1sjs s MET 66 Ca 0.69 -0.63 -0.22 0.00 -1.25 0.00 0.00 55.69 54.28 1sjs s MET 66 Cb -0.42 -2.10 -0.02 0.00 2.84 0.00 0.00 34.83 35.12 1sjs s MET 66 CO 0.31 -0.12 0.68 -2.00 -0.65 0.00 0.00 175.02 173.23 1sjs s GLU 67 N 1.15 4.21 0.39 4.11 2.12 -1.26 0.06 118.70 129.48 1sjs s GLU 67 Ca -0.02 0.70 0.08 0.00 0.36 0.00 0.00 54.97 56.09 1sjs s GLU 67 Cb -0.14 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.61 1sjs s GLU 67 CO -0.06 -0.30 0.20 0.96 -0.54 0.00 0.00 175.26 175.52 1sjs s ILE 68 N 2.12 2.54 0.10 -3.70 -4.36 -0.57 -4.76 121.20 112.56 1sjs s ILE 68 Ca 0.30 -1.64 0.10 0.00 -0.26 0.00 0.00 60.65 59.15 1sjs s ILE 68 Cb -0.16 -2.99 -0.04 0.00 1.25 0.00 0.00 42.46 40.53 1sjs s ILE 68 CO 0.10 -0.05 -0.26 -0.31 0.24 0.00 0.00 174.94 174.67 1sjs s TYR 69 N -2.54 2.22 -0.28 1.37 2.02 -1.26 -4.42 117.35 114.46 1sjs s TYR 69 Ca 0.41 -0.39 -0.24 0.00 -0.37 0.00 0.00 57.07 56.48 1sjs s TYR 69 Cb 0.01 -1.25 0.12 0.00 -0.40 0.00 0.00 41.96 40.45 1sjs s TYR 69 CO 0.23 0.25 1.01 0.99 -1.57 0.00 0.00 175.55 176.46 1sjs s THR 70 N -0.99 0.00 0.00 -0.71 2.01 -1.26 -4.43 115.64 110.26 1sjs s THR 70 Ca 0.12 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.12 1sjs s THR 70 Cb -0.10 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1sjs s THR 70 CO 0.04 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 1sjs n GLY 71 N 2.45 -1.70 0.31 4.40 0.00 0.47 -4.26 105.19 106.86 1sjs n GLY 71 Ca -0.13 -1.63 0.10 0.00 0.00 0.00 0.00 46.02 44.36 1sjs n GLY 71 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sjs h GLU 72 N 0.00 0.07 -0.07 1.61 4.57 -1.89 0.27 114.58 119.13 1sjs h GLU 72 Ca 0.00 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 1sjs h GLU 72 Cb 0.00 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1sjs h GLU 72 CO 0.00 0.04 -0.21 -0.22 -1.18 0.00 0.00 179.01 177.45 1sjs h LYS 73 N 0.07 0.12 -0.41 1.92 3.64 -1.93 -2.25 116.57 117.73 1sjs h LYS 73 Ca 0.51 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.82 1sjs h LYS 73 Cb 0.97 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 1sjs h LYS 73 CO -0.79 0.33 0.10 1.03 -2.27 0.00 0.00 179.45 177.84 1sjs h SER 74 N 0.11 0.56 0.40 4.20 0.87 -0.64 -2.60 113.55 116.45 1sjs h SER 74 Ca 0.02 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1sjs h SER 74 Cb 0.43 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1sjs h SER 74 CO 0.03 0.56 -0.19 0.74 -0.53 0.00 0.00 176.83 177.44 1sjs h THR 75 N 0.60 0.61 0.00 2.23 2.02 -1.24 0.39 112.91 117.52 1sjs h THR 75 Ca 0.14 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1sjs h THR 75 Cb 0.22 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1sjs h THR 75 CO -0.00 0.02 0.00 0.00 0.37 0.00 0.00 175.52 175.91 1sjs n GLN 76 N -5.30 0.25 -0.04 6.66 10.64 -1.08 -1.09 117.38 127.42 1sjs n GLN 76 Ca -0.11 0.12 -0.05 0.00 -1.83 0.00 0.00 57.00 55.13 1sjs n GLN 76 Cb 0.24 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 28.06 1sjs n GLN 76 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1sjs n VAL 77 N -1.22 0.58 -0.03 -0.39 0.31 -1.00 -4.87 118.33 111.71 1sjs n VAL 77 Ca 0.08 -0.34 -0.04 0.00 -0.01 0.00 0.00 64.34 64.03 1sjs n VAL 77 Cb 0.10 -0.79 -0.04 0.00 -0.91 0.00 0.00 33.84 32.19 1sjs n VAL 77 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1sjs n TYR 78 N -2.40 0.00 0.00 3.52 4.01 0.13 -5.00 117.16 117.43 1sjs n TYR 78 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1sjs n TYR 78 Cb 0.76 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 1sjs n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sjs n GLY 79 N 2.91 -1.23 2.04 2.72 0.00 -0.25 -5.01 105.19 106.38 1sjs n GLY 79 Ca -0.11 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1sjs n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sjs n GLN 80 N 0.00 0.00 0.00 1.61 6.02 -1.26 -4.57 117.38 119.18 1sjs n GLN 80 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.14 1sjs n GLN 80 Cb 0.00 0.00 0.68 0.00 1.02 0.00 0.00 30.24 31.94 1sjs n GLN 80 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1sjs n ASP 81 N -3.15 0.82 -4.55 1.08 9.92 -1.26 -4.66 116.55 114.76 1sjs n ASP 81 Ca 0.00 -1.18 -0.42 0.00 -0.53 0.00 0.00 54.79 52.65 1sjs n ASP 81 Cb 0.00 -0.01 -0.01 0.00 -0.64 0.00 0.00 41.12 40.46 1sjs n ASP 81 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1sjs s VAL 82 N -2.08 4.20 -0.04 2.53 0.11 -1.26 -4.70 120.40 119.16 1sjs s VAL 82 Ca 0.40 -1.50 0.03 0.00 -2.93 0.00 0.00 61.98 57.97 1sjs s VAL 82 Cb 0.21 -5.07 -0.25 0.00 -1.53 0.00 0.00 36.38 29.74 1sjs s VAL 82 CO 0.37 -1.90 0.66 -0.50 -3.33 0.00 0.00 175.10 170.41 1sjs h TRP 83 N 8.54 0.26 -2.94 1.54 4.06 -1.86 -3.29 115.95 122.26 1sjs h TRP 83 Ca 0.31 -0.19 -0.61 0.00 2.06 0.00 0.00 58.89 60.46 1sjs h TRP 83 Cb 0.94 -0.01 -0.40 0.00 -1.00 0.00 0.00 29.16 28.69 1sjs h TRP 83 CO 1.31 1.32 -0.75 -1.17 -3.56 0.00 0.00 178.44 175.59 1sjs s LEU 84 N -6.62 2.70 0.18 -4.49 2.96 -1.26 -0.40 118.68 111.75 1sjs s LEU 84 Ca -0.10 -2.74 -0.31 0.00 -0.22 0.00 0.00 54.13 50.76 1sjs s LEU 84 Cb 0.07 -1.01 -0.10 0.00 0.50 0.00 0.00 46.19 45.66 1sjs s LEU 84 CO 0.82 -0.25 1.49 -2.16 -1.32 0.00 0.00 176.35 174.93 1sjs s PRO 85 N 0.22 4.26 0.32 0.98 0.04 -1.26 -4.91 135.00 134.65 1sjs s PRO 85 Ca 0.19 2.28 0.08 0.00 0.04 0.00 0.00 61.00 63.59 1sjs s PRO 85 Cb -0.21 -3.16 0.82 0.00 0.04 0.00 0.00 34.50 31.99 1sjs s PRO 85 CO -0.03 -0.51 1.77 0.00 0.04 0.00 0.00 177.00 178.27 1sjs h ALA 86 N 6.30 1.77 0.00 8.56 0.00 -1.99 0.15 119.26 134.06 1sjs h ALA 86 Ca -0.43 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1sjs h ALA 86 Cb 1.21 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1sjs h ALA 86 CO 0.86 -0.17 -0.04 1.05 0.00 0.00 0.00 179.25 180.96 1sjs h GLU 87 N 0.68 0.00 -0.39 0.00 4.11 -1.99 -0.96 114.58 116.04 1sjs h GLU 87 Ca 0.59 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.92 1sjs h GLU 87 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1sjs h GLU 87 CO -0.39 0.04 -0.14 1.15 0.07 0.00 0.00 179.01 179.74 1sjs h THR 88 N 0.00 1.28 -0.35 -1.06 2.02 -1.00 -1.03 112.91 112.77 1sjs h THR 88 Ca -0.00 -1.25 -0.01 0.00 0.77 0.00 0.00 66.41 65.92 1sjs h THR 88 Cb 0.13 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1sjs h THR 88 CO 0.01 0.41 0.17 -0.07 0.37 0.00 0.00 175.52 176.41 1sjs h LEU 89 N 0.58 0.46 -0.62 2.58 3.38 -1.21 -2.06 115.31 118.41 1sjs h LEU 89 Ca 0.09 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1sjs h LEU 89 Cb 0.67 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 1sjs h LEU 89 CO 0.05 0.45 0.27 0.44 0.09 0.00 0.00 178.44 179.74 1sjs h ASP 90 N 0.43 0.33 0.04 -0.43 3.32 -1.14 -2.12 116.42 116.84 1sjs h ASP 90 Ca 0.12 0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 1sjs h ASP 90 Cb 0.12 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1sjs h ASP 90 CO -0.02 0.20 -0.28 -0.07 -1.72 0.00 0.00 179.24 177.35 1sjs h LEU 91 N 0.49 0.37 -0.30 1.55 3.38 -0.77 -0.64 115.31 119.39 1sjs h LEU 91 Ca 0.31 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 1sjs h LEU 91 Cb 0.33 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1sjs h LEU 91 CO -0.27 0.65 -0.36 0.40 0.09 0.00 0.00 178.44 178.95 1sjs h ILE 92 N 0.33 1.30 -0.30 1.22 2.04 -0.77 -1.14 117.51 120.18 1sjs h ILE 92 Ca 0.05 -1.54 -0.06 0.00 1.00 0.00 0.00 64.86 64.31 1sjs h ILE 92 Cb 0.67 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1sjs h ILE 92 CO 0.05 0.50 -0.03 0.03 0.00 0.00 0.00 178.15 178.70 1sjs h ARG 93 N 0.52 0.55 -0.61 2.37 3.08 -1.29 -1.08 114.38 117.91 1sjs h ARG 93 Ca 0.04 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 1sjs h ARG 93 Cb 0.94 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 1sjs h ARG 93 CO 0.09 0.71 0.16 1.49 -1.07 0.00 0.00 179.97 181.35 1sjs h GLU 94 N 0.33 0.98 -0.10 0.04 4.81 -1.11 -3.06 114.58 116.47 1sjs h GLU 94 Ca 0.08 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1sjs h GLU 94 Cb 0.49 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1sjs h GLU 94 CO 0.02 0.88 0.00 0.66 -0.73 0.00 0.00 179.01 179.85 1sjs n TYR 95 N -4.35 0.11 0.00 0.92 4.02 -0.44 -4.81 117.16 112.62 1sjs n TYR 95 Ca 0.03 -0.06 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1sjs n TYR 95 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 1sjs n TYR 95 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1sjs n ARG 96 N 0.48 0.00 -4.73 -0.72 5.12 -0.41 -4.50 116.66 111.90 1sjs n ARG 96 Ca 0.17 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.77 1sjs n ARG 96 Cb 0.40 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.57 1sjs n ARG 96 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1sjs s VAL 97 N 0.00 3.15 0.13 1.55 -7.23 -1.26 -0.63 120.40 116.11 1sjs s VAL 97 Ca 0.00 -0.83 -0.11 0.00 -1.81 0.00 0.00 61.98 59.23 1sjs s VAL 97 Cb 0.00 -2.29 0.01 0.00 0.56 0.00 0.00 36.38 34.66 1sjs s VAL 97 CO 0.00 0.49 0.29 0.00 -0.31 0.00 0.00 175.10 175.57 1sjs s ALA 98 N -0.84 -0.39 -0.01 1.32 0.00 -0.89 -3.89 121.76 117.06 1sjs s ALA 98 Ca 0.13 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.58 1sjs s ALA 98 Cb -0.11 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.68 1sjs s ALA 98 CO 0.03 -0.60 -0.03 -1.50 0.00 0.00 0.00 175.76 173.66 1sjs s ILE 99 N -3.88 0.26 0.09 0.00 2.07 -1.09 -0.76 121.20 117.88 1sjs s ILE 99 Ca 0.08 -0.11 0.05 0.00 -1.41 0.00 0.00 60.65 59.26 1sjs s ILE 99 Cb 0.03 -0.24 -0.03 0.00 0.13 0.00 0.00 42.46 42.35 1sjs s ILE 99 CO -0.08 0.09 -0.13 -1.59 -1.91 0.00 0.00 174.94 171.33 1sjs s LYS 100 N 0.10 0.84 0.19 3.50 -2.85 0.81 -0.84 119.74 121.50 1sjs s LYS 100 Ca -0.01 -1.04 -0.01 0.00 -1.00 0.00 0.00 55.97 53.91 1sjs s LYS 100 Cb -0.03 -0.74 0.04 0.00 -2.06 0.00 0.00 37.83 35.04 1sjs s LYS 100 CO -0.00 0.15 0.26 0.41 0.10 0.00 0.00 175.35 176.26 1sjs n GLY 101 N 0.98 0.45 3.75 0.59 0.00 0.30 -2.20 105.19 109.07 1sjs n GLY 101 Ca -0.19 -1.93 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 1sjs n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sjs s PRO 102 N -3.15 3.06 0.15 1.61 0.04 -1.26 -4.62 135.00 130.83 1sjs s PRO 102 Ca 0.17 1.87 0.10 0.00 0.04 0.00 0.00 61.00 63.18 1sjs s PRO 102 Cb -0.01 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1sjs s PRO 102 CO 0.11 -1.14 -0.22 -0.51 0.04 0.00 0.00 177.00 175.28 1sjs s LEU 103 N -3.91 2.53 -0.18 -3.56 1.43 -1.26 0.22 118.68 113.95 1sjs s LEU 103 Ca 0.76 -0.70 -0.06 0.00 -1.03 0.00 0.00 54.13 53.09 1sjs s LEU 103 Cb -0.31 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1sjs s LEU 103 CO 0.35 0.16 0.03 -0.89 0.23 0.00 0.00 176.35 176.22 1sjs s THR 104 N -1.30 4.45 0.05 5.49 2.01 -1.26 -4.71 115.64 120.37 1sjs s THR 104 Ca 0.18 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 1sjs s THR 104 Cb -0.10 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 1sjs s THR 104 CO 0.09 0.46 1.04 0.28 -0.69 0.00 0.00 174.62 175.80 1sjs s THR 105 N 0.47 4.52 -1.12 -0.82 -1.32 -1.26 -4.68 115.64 111.43 1sjs s THR 105 Ca 0.01 1.88 -0.23 0.00 -1.21 0.00 0.00 61.69 62.14 1sjs s THR 105 Cb -0.13 -4.20 -0.09 0.00 -1.51 0.00 0.00 72.50 66.57 1sjs s THR 105 CO 0.01 0.18 1.95 -2.16 -2.21 0.00 0.00 174.62 172.40 1sjs s PRO 106 N 0.74 2.42 0.89 7.08 0.04 -1.26 -4.91 135.00 139.99 1sjs s PRO 106 Ca 0.53 -0.94 -0.13 0.00 0.04 0.00 0.00 61.00 60.50 1sjs s PRO 106 Cb -0.24 -5.19 0.07 0.00 0.04 0.00 0.00 34.50 29.18 1sjs s PRO 106 CO 0.29 -3.97 0.78 1.55 0.04 0.00 0.00 177.00 175.70 1sjs n VAL 107 N 7.90 0.64 0.00 -0.36 3.14 -1.26 -2.28 118.33 126.11 1sjs n VAL 107 Ca 0.44 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.65 1sjs n VAL 107 Cb 0.47 -0.85 0.00 0.00 -1.06 0.00 0.00 33.84 32.39 1sjs n VAL 107 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1sjs n GLY 108 N 1.00 1.56 2.74 7.55 0.00 -1.26 -4.13 105.19 112.64 1sjs n GLY 108 Ca 0.10 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 1sjs n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjs n GLY 109 N 0.00 5.92 3.44 -0.02 0.00 -1.26 -4.99 105.19 108.28 1sjs n GLY 109 Ca 0.00 -2.62 -0.23 0.00 0.00 0.00 0.00 46.02 43.17 1sjs n GLY 109 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sjs s GLY 110 N -1.91 2.36 -0.05 -0.02 0.00 -0.97 -5.10 107.32 101.64 1sjs s GLY 110 Ca 0.44 -1.54 -0.29 0.00 0.00 0.00 0.00 44.72 43.32 1sjs s GLY 110 CO -0.19 -1.74 1.99 -1.50 0.00 0.00 0.00 173.10 171.67 1sjs s ILE 111 N -3.35 3.09 0.03 0.90 2.07 -1.26 -4.87 121.20 117.81 1sjs s ILE 111 Ca 0.30 0.11 -0.32 0.00 -1.41 0.00 0.00 60.65 59.33 1sjs s ILE 111 Cb 0.04 -3.08 -0.10 0.00 0.13 0.00 0.00 42.46 39.44 1sjs s ILE 111 CO 0.16 -0.03 1.90 -2.11 -1.91 0.00 0.00 174.94 172.96 1sjs n ARG 112 N 7.84 2.63 -1.85 3.50 1.85 -1.26 -4.10 116.66 125.27 1sjs n ARG 112 Ca 0.22 0.96 0.00 0.00 -1.00 0.00 0.00 57.85 58.03 1sjs n ARG 112 Cb 0.42 -2.87 0.00 0.00 -1.05 0.00 0.00 32.46 28.97 1sjs n ARG 112 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1sjs n SER 113 N 6.65 -3.19 -0.05 2.89 2.88 -1.26 -4.60 113.62 116.94 1sjs n SER 113 Ca 0.20 0.68 0.14 0.00 -1.33 0.00 0.00 58.87 58.56 1sjs n SER 113 Cb 0.36 -1.06 0.55 0.00 -0.75 0.00 0.00 64.21 63.31 1sjs n SER 113 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1sjs h LEU 114 N 3.97 0.27 -0.81 2.46 3.38 -1.88 -1.74 115.31 120.94 1sjs h LEU 114 Ca 0.00 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1sjs h LEU 114 Cb 0.00 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1sjs h LEU 114 CO 0.00 0.16 0.54 0.78 0.09 0.00 0.00 178.44 180.01 1sjs h ASN 115 N 0.29 0.94 0.61 -0.43 4.21 -1.96 -0.75 115.58 118.49 1sjs h ASN 115 Ca 0.26 -0.02 -0.11 0.00 1.21 0.00 0.00 56.30 57.64 1sjs h ASN 115 Cb 0.63 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.58 1sjs h ASN 115 CO -0.06 0.68 -0.53 1.62 -1.29 0.00 0.00 177.43 177.85 1sjs h VAL 116 N 1.11 1.30 -0.31 2.81 3.04 -1.61 -1.38 116.25 121.21 1sjs h VAL 116 Ca 0.30 -1.85 -0.08 0.00 -1.01 0.00 0.00 66.70 64.06 1sjs h VAL 116 Cb -0.13 2.02 -0.01 0.00 -2.01 0.00 0.00 31.29 31.16 1sjs h VAL 116 CO -0.06 0.52 -0.12 0.00 -1.01 0.00 0.00 177.57 176.89 1sjs h ALA 117 N 1.47 0.43 0.01 3.17 0.00 -1.19 -0.80 119.26 122.36 1sjs h ALA 117 Ca -0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1sjs h ALA 117 Cb 0.98 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1sjs h ALA 117 CO 0.07 0.31 -0.01 -0.07 0.00 0.00 0.00 179.25 179.55 1sjs h LEU 118 N 0.40 -0.02 -0.47 0.00 3.38 -1.03 -1.37 115.31 116.20 1sjs h LEU 118 Ca 0.07 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.77 1sjs h LEU 118 Cb 0.64 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1sjs h LEU 118 CO 0.04 0.30 0.25 -0.09 0.09 0.00 0.00 178.44 179.04 1sjs h ARG 119 N -0.34 0.49 -0.12 1.13 2.43 -1.24 -1.82 114.38 114.90 1sjs h ARG 119 Ca -0.00 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 58.99 1sjs h ARG 119 Cb 0.33 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1sjs h ARG 119 CO 0.00 0.32 -0.50 1.96 -1.51 0.00 0.00 179.97 180.25 1sjs h GLN 120 N 0.50 0.55 -0.20 0.20 4.20 -1.15 0.10 115.11 119.31 1sjs h GLN 120 Ca 0.20 -0.43 -0.10 0.00 0.06 0.00 0.00 58.65 58.38 1sjs h GLN 120 Cb 0.08 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1sjs h GLN 120 CO -0.12 1.06 -0.30 0.93 -0.67 0.00 0.00 178.83 179.72 1sjs h GLU 121 N 0.17 0.40 -0.30 1.46 5.08 -1.20 -2.45 114.58 117.74 1sjs h GLU 121 Ca -0.03 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1sjs h GLU 121 Cb 1.13 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1sjs h GLU 121 CO 0.10 0.67 0.00 1.28 -1.00 0.00 0.00 179.01 180.06 1sjs n LEU 122 N -4.10 2.41 -3.97 1.33 4.77 -0.69 -4.95 117.00 111.80 1sjs n LEU 122 Ca -0.01 -1.06 -0.26 0.00 -0.03 0.00 0.00 56.01 54.65 1sjs n LEU 122 Cb 0.43 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1sjs n LEU 122 CO 0.42 0.53 -0.24 -0.67 -1.33 0.00 0.00 177.39 176.10 1sjs n ASP 123 N 0.81 -0.36 -4.55 -1.43 2.03 -0.92 -4.74 116.55 107.38 1sjs n ASP 123 Ca 0.17 -1.02 -0.42 0.00 0.52 0.00 0.00 54.79 54.04 1sjs n ASP 123 Cb 0.43 -3.00 -0.01 0.00 -0.72 0.00 0.00 41.12 37.82 1sjs n ASP 123 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1sjs s LEU 124 N -6.99 3.91 0.00 -2.67 1.43 0.32 -4.41 118.68 110.28 1sjs s LEU 124 Ca 0.03 -2.15 0.24 0.00 -1.03 0.00 0.00 54.13 51.21 1sjs s LEU 124 Cb -0.01 -2.55 1.08 0.00 0.03 0.00 0.00 46.19 44.74 1sjs s LEU 124 CO 0.89 -1.23 1.78 0.00 0.23 0.00 0.00 176.35 178.02 1sjs n TYR 125 N 8.19 0.00 -4.73 0.29 4.11 -1.05 -4.63 117.16 119.35 1sjs n TYR 125 Ca 0.41 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.98 1sjs n TYR 125 Cb 0.47 -0.43 -0.15 0.00 -0.00 0.00 0.00 39.34 39.23 1sjs n TYR 125 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 1sjs s ILE 126 N -2.86 2.74 -0.26 -3.48 1.01 -0.41 0.09 121.20 118.03 1sjs s ILE 126 Ca 0.15 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 1sjs s ILE 126 Cb 0.16 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 1sjs s ILE 126 CO 0.41 0.52 0.09 0.00 0.00 0.00 0.00 174.94 175.96 1sjs s LEU 128 N 1.61 3.12 -0.42 0.00 2.96 0.39 -0.98 118.68 125.35 1sjs s LEU 128 Ca 0.06 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1sjs s LEU 128 Cb -0.16 -1.80 0.12 0.00 0.50 0.00 0.00 46.19 44.85 1sjs s LEU 128 CO 0.04 -0.00 0.20 -0.13 -1.32 0.00 0.00 176.35 175.14 1sjs s ARG 129 N 1.39 1.34 0.09 1.98 1.81 -0.39 -1.76 118.95 123.42 1sjs s ARG 129 Ca 0.05 -1.95 -0.30 0.00 -1.72 0.00 0.00 55.73 51.80 1sjs s ARG 129 Cb -0.15 -2.56 -0.06 0.00 -0.45 0.00 0.00 34.95 31.73 1sjs s ARG 129 CO -0.00 -1.10 1.18 -1.25 -0.68 0.00 0.00 175.30 173.45 1sjs s PRO 130 N 0.50 4.46 -0.17 3.54 0.04 -1.26 -1.70 135.00 140.42 1sjs s PRO 130 Ca 0.15 1.77 -0.00 0.00 0.04 0.00 0.00 61.00 62.96 1sjs s PRO 130 Cb -0.23 -3.32 0.04 0.00 0.04 0.00 0.00 34.50 31.03 1sjs s PRO 130 CO -0.05 -0.19 -0.06 0.08 0.04 0.00 0.00 177.00 176.83 1sjs s VAL 131 N 0.74 1.18 0.05 -0.36 1.01 0.06 -4.61 120.40 118.47 1sjs s VAL 131 Ca 0.57 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 1sjs s VAL 131 Cb -0.30 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1sjs s VAL 131 CO 0.31 0.15 0.12 0.00 0.00 0.00 0.00 175.10 175.67 1sjs s ARG 132 N 1.60 0.68 0.15 2.72 1.70 -1.26 -0.79 118.95 123.75 1sjs s ARG 132 Ca 0.01 -0.86 -0.17 0.00 -0.47 0.00 0.00 55.73 54.23 1sjs s ARG 132 Cb -0.15 0.27 -0.07 0.00 -0.57 0.00 0.00 34.95 34.42 1sjs s ARG 132 CO -0.08 -0.18 0.61 -0.47 -1.08 0.00 0.00 175.30 174.10 1sjs s TYR 133 N -3.14 3.67 -0.25 5.89 5.04 -1.17 -4.95 117.35 122.44 1sjs s TYR 133 Ca -0.00 1.23 -0.02 0.00 -2.44 0.00 0.00 57.07 55.83 1sjs s TYR 133 Cb 0.02 -2.49 0.02 0.00 0.35 0.00 0.00 41.96 39.86 1sjs s TYR 133 CO -0.07 0.44 -0.06 0.71 -1.34 0.00 0.00 175.55 175.23 1sjs s TYR 134 N -1.39 3.05 -0.36 4.97 1.51 -1.26 -4.98 117.35 118.88 1sjs s TYR 134 Ca 0.37 -1.47 -0.44 0.00 -1.01 0.00 0.00 57.07 54.52 1sjs s TYR 134 Cb -0.17 -2.07 -0.18 0.00 -0.11 0.00 0.00 41.96 39.43 1sjs s TYR 134 CO 0.20 -0.71 1.60 1.04 -1.11 0.00 0.00 175.55 176.57 1sjs n GLN 135 N 4.69 0.44 0.00 -0.62 1.13 -1.26 -1.35 117.38 120.41 1sjs n GLN 135 Ca -0.17 0.16 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1sjs n GLN 135 Cb 0.47 -1.73 0.00 0.00 0.11 0.00 0.00 30.24 29.10 1sjs n GLN 135 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sjs n GLY 136 N 3.82 1.97 3.69 1.08 0.00 -1.26 -2.95 105.19 111.54 1sjs n GLY 136 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 1sjs n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sjs s THR 137 N -2.06 3.13 0.07 2.61 2.01 -0.45 -4.90 115.64 116.05 1sjs s THR 137 Ca 0.00 0.59 -0.31 0.00 0.31 0.00 0.00 61.69 62.28 1sjs s THR 137 Cb 0.00 -3.38 -0.09 0.00 0.01 0.00 0.00 72.50 69.05 1sjs s THR 137 CO 0.00 0.00 1.73 -2.16 -0.69 0.00 0.00 174.62 173.50 1sjs s PRO 138 N 2.52 4.17 0.14 4.92 0.04 -1.26 -4.91 135.00 140.63 1sjs s PRO 138 Ca 0.72 2.41 0.09 0.00 0.04 0.00 0.00 61.00 64.27 1sjs s PRO 138 Cb -0.39 -3.70 -0.04 0.00 0.04 0.00 0.00 34.50 30.42 1sjs s PRO 138 CO 0.31 -0.80 -0.22 0.45 0.04 0.00 0.00 177.00 176.79 1sjs s SER 139 N 2.79 2.86 0.39 6.66 0.15 -1.26 -4.33 113.70 120.95 1sjs s SER 139 Ca 0.77 -0.77 0.23 0.00 0.70 0.00 0.00 55.95 56.88 1sjs s SER 139 Cb -0.41 -0.18 0.29 0.00 -1.71 0.00 0.00 66.02 64.01 1sjs s SER 139 CO 0.34 0.06 1.50 1.55 1.20 0.00 0.00 173.24 177.90 1sjs h PRO 140 N 3.68 0.00 -6.52 5.44 0.13 -1.78 -3.47 132.00 129.48 1sjs h PRO 140 Ca -0.46 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.20 1sjs h PRO 140 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 1sjs h PRO 140 CO 0.44 0.00 -0.19 0.14 -0.23 0.00 0.00 178.00 178.16 1sjs s VAL 141 N -3.24 4.98 0.11 1.56 -7.23 -1.26 -5.04 120.40 110.29 1sjs s VAL 141 Ca 0.06 -0.49 -0.14 0.00 -1.81 0.00 0.00 61.98 59.60 1sjs s VAL 141 Cb 0.06 -3.82 -0.07 0.00 0.56 0.00 0.00 36.38 33.12 1sjs s VAL 141 CO 0.69 -0.52 1.45 0.11 -0.31 0.00 0.00 175.10 176.52 1sjs h LYS 142 N 0.73 0.78 -2.12 4.82 1.57 -1.95 -3.38 116.57 117.02 1sjs h LYS 142 Ca -0.49 -0.39 -0.58 0.00 -1.87 0.00 0.00 60.65 57.31 1sjs h LYS 142 Cb 1.22 0.01 -0.41 0.00 0.08 0.00 0.00 32.23 33.13 1sjs h LYS 142 CO 0.61 1.02 -0.80 0.72 -0.57 0.00 0.00 179.45 180.43 1sjs n HIS 143 N -4.22 2.13 0.28 -1.35 8.25 -1.26 -4.92 115.22 114.13 1sjs n HIS 143 Ca -0.03 -3.93 0.17 0.00 -0.26 0.00 0.00 57.72 53.67 1sjs n HIS 143 Cb 0.48 -0.48 0.66 0.00 1.12 0.00 0.00 29.99 31.77 1sjs n HIS 143 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1sjs h PRO 144 N 4.01 0.00 0.00 -0.41 0.13 -1.88 -3.06 132.00 130.79 1sjs h PRO 144 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1sjs h PRO 144 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1sjs h PRO 144 CO 0.69 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.61 1sjs n GLU 145 N -3.09 0.21 -0.08 0.86 0.00 -1.26 -1.55 120.64 115.73 1sjs n GLU 145 Ca 0.01 0.15 0.12 0.00 0.00 0.00 0.00 57.16 57.43 1sjs n GLU 145 Cb 0.32 -1.50 0.34 0.00 0.00 0.00 0.00 31.44 30.60 1sjs n GLU 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1sjs n LEU 146 N -1.26 2.15 -4.63 -1.84 4.77 -1.16 -4.85 117.00 110.18 1sjs n LEU 146 Ca 0.07 -0.86 -0.36 0.00 -0.03 0.00 0.00 56.01 54.82 1sjs n LEU 146 Cb 0.10 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 1sjs n LEU 146 CO 0.10 0.43 -0.19 -0.89 -1.33 0.00 0.00 177.39 175.51 1sjs s THR 147 N -1.79 5.22 -0.49 -5.08 2.01 -0.59 -2.99 115.64 111.94 1sjs s THR 147 Ca 0.34 0.13 0.05 0.00 0.31 0.00 0.00 61.69 62.52 1sjs s THR 147 Cb 0.19 -3.44 0.19 0.00 0.01 0.00 0.00 72.50 69.46 1sjs s THR 147 CO 0.29 0.35 0.78 -0.62 -0.69 0.00 0.00 174.62 174.73 1sjs s ASP 148 N 1.11 -1.27 0.39 3.53 -1.08 -1.24 -3.04 116.67 115.07 1sjs s ASP 148 Ca 0.07 -1.46 0.08 0.00 -0.52 0.00 0.00 52.55 50.72 1sjs s ASP 148 Cb -0.14 1.66 -0.07 0.00 -1.46 0.00 0.00 42.92 42.91 1sjs s ASP 148 CO 0.05 -0.05 -0.01 -0.04 0.52 0.00 0.00 175.17 175.64 1sjs s MET 149 N 0.96 1.94 -0.19 4.34 -1.94 0.03 -4.59 119.30 119.85 1sjs s MET 149 Ca 0.28 -2.03 -0.04 0.00 -1.71 0.00 0.00 55.69 52.20 1sjs s MET 149 Cb 0.02 -1.69 0.06 0.00 2.01 0.00 0.00 34.83 35.23 1sjs s MET 149 CO -0.06 0.01 0.06 0.08 -0.01 0.00 0.00 175.02 175.09 1sjs s VAL 150 N -2.67 0.31 -0.19 -6.03 1.01 -0.53 -0.76 120.40 111.55 1sjs s VAL 150 Ca 0.35 -0.44 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 1sjs s VAL 150 Cb 0.07 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 1sjs s VAL 150 CO 0.18 -0.24 0.72 -0.63 0.00 0.00 0.00 175.10 175.12 1sjs s ILE 151 N 1.95 4.96 -0.48 2.22 -1.09 -0.69 -0.64 121.20 127.43 1sjs s ILE 151 Ca 0.00 1.37 -0.08 0.00 -2.23 0.00 0.00 60.65 59.71 1sjs s ILE 151 Cb -0.17 -4.03 0.12 0.00 -1.58 0.00 0.00 42.46 36.81 1sjs s ILE 151 CO -0.09 0.06 0.35 -0.36 -1.23 0.00 0.00 174.94 173.67 1sjs s PHE 152 N 2.09 3.45 -0.23 3.97 0.40 0.15 -1.26 117.98 126.55 1sjs s PHE 152 Ca 0.32 -1.96 -0.09 0.00 -0.60 0.00 0.00 56.93 54.60 1sjs s PHE 152 Cb -0.16 -3.47 -0.04 0.00 0.51 0.00 0.00 43.02 39.85 1sjs s PHE 152 CO 0.11 -0.99 0.11 0.50 0.70 0.00 0.00 175.22 175.65 1sjs s ARG 153 N 1.25 3.95 0.12 0.44 3.52 -0.15 -1.22 118.95 126.86 1sjs s ARG 153 Ca 0.07 -0.34 -0.31 0.00 -0.13 0.00 0.00 55.73 55.02 1sjs s ARG 153 Cb -0.25 -3.41 -0.09 0.00 -1.56 0.00 0.00 34.95 29.64 1sjs s ARG 153 CO -0.01 0.06 1.54 -2.00 -0.81 0.00 0.00 175.30 174.07 1sjs s GLU 154 N 1.01 4.24 0.00 5.12 -6.30 -0.47 -1.18 118.70 121.13 1sjs s GLU 154 Ca 0.06 2.27 0.06 0.00 -2.50 0.00 0.00 54.97 54.86 1sjs s GLU 154 Cb -0.14 -3.29 0.13 0.00 0.00 0.00 0.00 34.13 30.83 1sjs s GLU 154 CO 0.04 -0.60 0.99 -1.71 0.02 0.00 0.00 175.26 174.00 1sjs n ASN 155 N 4.40 2.17 -0.03 -1.70 5.15 0.11 -2.09 115.26 123.27 1sjs n ASN 155 Ca 0.14 -1.75 0.02 0.00 -0.60 0.00 0.00 54.58 52.40 1sjs n ASN 155 Cb 0.40 -0.08 -0.02 0.00 -0.53 0.00 0.00 39.78 39.54 1sjs n ASN 155 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1sjs n SER 156 N 0.16 0.38 0.00 1.20 3.41 -1.26 -4.91 113.62 112.61 1sjs n SER 156 Ca 0.05 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 1sjs n SER 156 Cb 0.28 0.88 0.00 0.00 -0.26 0.00 0.00 64.21 65.11 1sjs n SER 156 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sjs n GLU 157 N -0.94 1.91 -0.29 4.33 1.02 -1.26 -4.86 120.64 120.55 1sjs n GLU 157 Ca 0.01 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.19 1sjs n GLU 157 Cb 0.08 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.49 1sjs n GLU 157 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1sjs n ASP 158 N 0.00 -1.78 0.31 1.62 2.03 -0.95 -3.93 116.55 113.84 1sjs n ASP 158 Ca 0.00 0.31 0.19 0.00 0.52 0.00 0.00 54.79 55.81 1sjs n ASP 158 Cb 0.00 -0.88 0.98 0.00 -0.72 0.00 0.00 41.12 40.51 1sjs n ASP 158 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1sjs h ILE 159 N -0.27 0.10 0.00 5.18 6.09 -1.85 0.33 117.51 127.09 1sjs h ILE 159 Ca 0.01 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.50 1sjs h ILE 159 Cb 0.26 0.84 0.00 0.00 0.47 0.00 0.00 36.82 38.39 1sjs h ILE 159 CO 0.00 0.00 0.00 -1.22 -3.07 0.00 0.00 178.15 173.86 1sjs n TYR 160 N -3.17 0.50 0.19 2.19 4.02 -1.26 -3.45 117.16 116.18 1sjs n TYR 160 Ca -0.02 0.20 0.09 0.00 -0.01 0.00 0.00 57.90 58.17 1sjs n TYR 160 Cb 0.25 -0.82 0.49 0.00 -0.02 0.00 0.00 39.34 39.24 1sjs n TYR 160 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sjs h ALA 161 N 2.33 1.16 0.00 -0.72 0.00 -1.04 -3.45 119.26 117.54 1sjs h ALA 161 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sjs h ALA 161 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1sjs h ALA 161 CO 0.00 -0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.50 1sjs n GLY 162 N -1.27 0.44 3.46 0.00 0.00 -1.22 -4.99 105.19 101.60 1sjs n GLY 162 Ca -0.01 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 1sjs n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sjs s ILE 163 N -2.00 4.56 0.17 -0.61 1.01 -1.26 -4.96 121.20 118.11 1sjs s ILE 163 Ca 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 60.65 59.39 1sjs s ILE 163 Cb 0.00 -4.76 0.00 0.00 0.01 0.00 0.00 42.46 37.72 1sjs s ILE 163 CO 0.00 -1.51 0.36 -1.83 0.00 0.00 0.00 174.94 171.97 1sjs s GLU 164 N 3.23 1.22 -0.01 2.79 -1.05 -1.26 -1.11 118.70 122.52 1sjs s GLU 164 Ca 0.30 -1.06 0.01 0.00 -0.15 0.00 0.00 54.97 54.06 1sjs s GLU 164 Cb -0.09 0.43 0.01 0.00 -0.44 0.00 0.00 34.13 34.03 1sjs s GLU 164 CO -0.03 -0.47 -0.02 -1.58 0.95 0.00 0.00 175.26 174.11 1sjs s TRP 165 N -3.93 0.24 0.29 4.83 0.51 -0.56 -5.01 118.94 115.31 1sjs s TRP 165 Ca 0.14 -0.03 -0.29 0.00 -2.12 0.00 0.00 56.10 53.80 1sjs s TRP 165 Cb 0.02 -0.21 -0.10 0.00 -0.81 0.00 0.00 33.47 32.37 1sjs s TRP 165 CO -0.01 -0.03 1.33 0.21 -0.51 0.00 0.00 176.95 177.93 1sjs s LYS 166 N 0.22 4.35 0.25 4.98 2.20 -1.26 -2.57 119.74 127.91 1sjs s LYS 166 Ca -0.02 2.20 -0.31 0.00 -0.36 0.00 0.00 55.97 57.48 1sjs s LYS 166 Cb -0.04 -3.10 -0.13 0.00 -1.51 0.00 0.00 37.83 33.05 1sjs s LYS 166 CO -0.01 -0.24 1.53 0.00 -0.36 0.00 0.00 175.35 176.28 1sjs n ALA 167 N 1.42 1.88 -0.54 3.13 0.00 -1.26 -2.23 120.51 122.92 1sjs n ALA 167 Ca 0.02 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1sjs n ALA 167 Cb 0.42 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.48 1sjs n ALA 167 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sjs n ASP 168 N 2.48 0.00 -4.83 0.00 8.00 -1.26 -4.90 116.55 116.04 1sjs n ASP 168 Ca 0.11 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.30 1sjs n ASP 168 Cb 0.34 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.45 1sjs n ASP 168 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1sjs s SER 169 N -3.43 5.87 0.24 -2.24 1.04 -0.94 -4.87 113.70 109.36 1sjs s SER 169 Ca 0.00 1.61 -0.05 0.00 0.48 0.00 0.00 55.95 57.99 1sjs s SER 169 Cb 0.00 -2.50 0.39 0.00 0.10 0.00 0.00 66.02 64.01 1sjs s SER 169 CO 0.00 -1.11 1.79 0.00 0.98 0.00 0.00 173.24 174.90 1sjs h ALA 170 N -0.12 1.11 0.41 5.32 0.00 -1.96 -1.59 119.26 122.44 1sjs h ALA 170 Ca -0.45 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1sjs h ALA 170 Cb 1.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1sjs h ALA 170 CO 0.59 0.02 -0.32 -0.44 0.00 0.00 0.00 179.25 179.09 1sjs h ASP 171 N 0.69 -0.84 -0.85 0.00 3.32 -1.92 -0.74 116.42 116.08 1sjs h ASP 171 Ca 0.39 0.06 0.13 0.00 0.02 0.00 0.00 57.03 57.63 1sjs h ASP 171 Cb 0.40 0.27 -0.09 0.00 0.22 0.00 0.00 39.33 40.13 1sjs h ASP 171 CO -0.27 -0.48 0.46 0.00 -1.72 0.00 0.00 179.24 177.23 1sjs h ALA 172 N -0.26 1.27 -0.27 3.45 0.00 -1.64 -1.23 119.26 120.57 1sjs h ALA 172 Ca -0.04 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1sjs h ALA 172 Cb 0.63 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1sjs h ALA 172 CO -0.01 -0.02 0.11 0.93 0.00 0.00 0.00 179.25 180.27 1sjs h GLU 173 N 0.70 0.41 -0.81 0.00 4.39 -0.95 -1.81 114.58 116.50 1sjs h GLU 173 Ca 0.45 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.08 1sjs h GLU 173 Cb 0.56 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 1sjs h GLU 173 CO -0.32 0.44 0.52 -0.22 -1.16 0.00 0.00 179.01 178.27 1sjs h LYS 174 N 0.29 1.07 -0.30 2.33 3.64 -0.30 0.21 116.57 123.51 1sjs h LYS 174 Ca 0.09 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1sjs h LYS 174 Cb 0.18 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1sjs h LYS 174 CO -0.01 0.72 0.01 0.28 -2.27 0.00 0.00 179.45 178.19 1sjs h VAL 175 N 1.10 1.25 -0.69 2.00 2.07 -1.13 -1.89 116.25 118.96 1sjs h VAL 175 Ca 0.29 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 1sjs h VAL 175 Cb -0.11 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1sjs h VAL 175 CO -0.06 0.29 0.30 0.40 0.02 0.00 0.00 177.57 178.51 1sjs h ILE 176 N 0.31 1.24 -0.14 4.57 2.04 -1.04 -0.95 117.51 123.54 1sjs h ILE 176 Ca 0.09 -0.73 0.03 0.00 1.00 0.00 0.00 64.86 65.25 1sjs h ILE 176 Cb 0.41 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1sjs h ILE 176 CO 0.01 0.29 -0.07 0.50 0.00 0.00 0.00 178.15 178.88 1sjs h LYS 177 N 0.98 -0.06 0.04 2.37 3.64 -0.81 -0.37 116.57 122.36 1sjs h LYS 177 Ca 0.23 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1sjs h LYS 177 Cb 0.18 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1sjs h LYS 177 CO -0.02 -0.04 -0.13 0.35 -2.27 0.00 0.00 179.45 177.34 1sjs h PHE 178 N -0.06 -0.32 -0.31 1.91 3.57 -1.03 0.50 116.94 121.20 1sjs h PHE 178 Ca 0.08 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.62 1sjs h PHE 178 Cb 0.18 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1sjs h PHE 178 CO -0.21 -0.19 0.12 -0.07 -2.23 0.00 0.00 178.31 175.72 1sjs h LEU 179 N -0.24 0.14 -0.06 0.59 3.38 -0.82 0.24 115.31 118.55 1sjs h LEU 179 Ca 0.03 0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.79 1sjs h LEU 179 Cb 0.27 0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.04 1sjs h LEU 179 CO -0.09 0.12 -0.89 0.03 0.09 0.00 0.00 178.44 177.69 1sjs h ARG 180 N 0.26 0.70 0.00 1.13 3.08 -0.95 -0.09 114.38 118.51 1sjs h ARG 180 Ca 0.13 -0.68 -0.07 0.00 0.07 0.00 0.00 59.98 59.44 1sjs h ARG 180 Cb 0.09 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1sjs h ARG 180 CO -0.13 1.27 -0.49 0.93 -1.07 0.00 0.00 179.97 180.49 1sjs h GLU 181 N 0.39 0.00 0.01 0.04 5.08 -0.87 -2.81 114.58 116.42 1sjs h GLU 181 Ca -0.10 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.00 1sjs h GLU 181 Cb 1.54 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.81 1sjs h GLU 181 CO 0.18 0.51 -1.04 0.93 -1.00 0.00 0.00 179.01 178.59 1sjs h GLU 182 N -1.00 0.63 0.00 2.33 4.39 -0.71 -3.32 114.58 116.89 1sjs h GLU 182 Ca -0.10 -0.69 0.00 0.00 0.34 0.00 0.00 59.36 58.92 1sjs h GLU 182 Cb 0.73 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1sjs h GLU 182 CO -0.06 1.28 -0.87 -1.33 -1.16 0.00 0.00 179.01 176.87 1sjs n MET 183 N -3.82 0.24 -2.49 2.33 2.81 -0.49 -4.98 117.12 110.72 1sjs n MET 183 Ca -0.10 0.02 -0.13 0.00 -1.81 0.00 0.00 57.70 55.67 1sjs n MET 183 Cb 0.88 -1.60 0.01 0.00 -0.71 0.00 0.00 33.22 31.80 1sjs n MET 183 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sjs n GLY 184 N 1.38 -0.11 3.65 3.03 0.00 -0.51 -4.94 105.19 107.69 1sjs n GLY 184 Ca 0.03 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1sjs n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sjs s VAL 185 N -2.79 3.76 -1.34 1.61 1.01 -0.16 -4.86 120.40 117.62 1sjs s VAL 185 Ca 0.10 0.90 0.16 0.00 0.00 0.00 0.00 61.98 63.14 1sjs s VAL 185 Cb -0.04 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1sjs s VAL 185 CO 0.12 -0.13 0.82 0.29 0.00 0.00 0.00 175.10 176.19 1sjs n LYS 186 N 7.15 1.74 0.00 2.72 4.01 -1.26 -4.53 118.16 128.00 1sjs n LYS 186 Ca 0.17 -0.68 0.13 0.00 -0.51 0.00 0.00 58.31 57.42 1sjs n LYS 186 Cb 0.44 -1.26 0.46 0.00 -0.51 0.00 0.00 35.03 34.16 1sjs n LYS 186 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1sjs n LYS 187 N -0.31 0.86 -2.61 1.97 5.02 -1.26 -4.78 118.16 117.05 1sjs n LYS 187 Ca 0.06 -0.45 -0.41 0.00 -2.02 0.00 0.00 58.31 55.48 1sjs n LYS 187 Cb 0.32 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 1sjs n LYS 187 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sjs s ILE 188 N -2.45 3.86 0.11 -0.18 1.01 -1.26 -4.92 121.20 117.38 1sjs s ILE 188 Ca 0.27 0.30 -0.32 0.00 0.00 0.00 0.00 60.65 60.89 1sjs s ILE 188 Cb 0.20 -4.86 -0.12 0.00 0.01 0.00 0.00 42.46 37.69 1sjs s ILE 188 CO 0.49 -1.74 1.53 -0.09 0.00 0.00 0.00 174.94 175.13 1sjs h ARG 189 N 9.90 -0.52 -3.97 2.79 9.65 -2.00 -3.35 114.38 126.88 1sjs h ARG 189 Ca -0.28 0.04 -0.66 0.00 -1.10 0.00 0.00 59.98 57.98 1sjs h ARG 189 Cb 1.05 0.12 -0.40 0.00 -1.39 0.00 0.00 29.97 29.36 1sjs h ARG 189 CO 1.25 -0.35 -0.64 -0.06 2.80 0.00 0.00 179.97 182.97 1sjs s PHE 190 N -5.59 3.45 -0.51 2.20 0.08 -1.26 -4.96 117.98 111.39 1sjs s PHE 190 Ca -0.15 -3.03 0.22 0.00 0.12 0.00 0.00 56.93 54.08 1sjs s PHE 190 Cb 0.07 -2.92 0.94 0.00 -0.57 0.00 0.00 43.02 40.55 1sjs s PHE 190 CO 0.59 -0.84 1.65 -0.35 -0.10 0.00 0.00 175.22 176.17 1sjs n PRO 191 N 3.67 0.16 -3.55 0.24 -0.04 -1.26 -4.49 135.00 129.73 1sjs n PRO 191 Ca 0.04 0.44 -0.35 0.00 -0.04 0.00 0.00 63.50 63.59 1sjs n PRO 191 Cb 0.37 -1.84 -0.06 0.00 -0.04 0.00 0.00 33.50 31.94 1sjs n PRO 191 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1sjs s GLU 192 N -3.31 3.80 -1.46 0.54 2.02 -1.26 -4.28 118.70 114.74 1sjs s GLU 192 Ca 0.03 0.24 -0.08 0.00 0.02 0.00 0.00 54.97 55.18 1sjs s GLU 192 Cb 0.08 -3.03 0.06 0.00 0.10 0.00 0.00 34.13 31.34 1sjs s GLU 192 CO 0.33 0.58 0.82 0.72 0.02 0.00 0.00 175.26 177.73 1sjs n HIS 193 N 1.07 -2.07 -5.04 1.61 8.25 -1.26 -4.97 115.22 112.81 1sjs n HIS 193 Ca -0.09 0.86 -0.32 0.00 -0.26 0.00 0.00 57.72 57.91 1sjs n HIS 193 Cb 0.52 -4.01 -0.16 0.00 1.12 0.00 0.00 29.99 27.47 1sjs n HIS 193 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sjs s GLY 195 N 0.30 2.26 -0.02 0.00 0.00 -1.26 -4.16 107.32 104.44 1sjs s GLY 195 Ca -0.15 -0.27 0.06 0.00 0.00 0.00 0.00 44.72 44.37 1sjs s GLY 195 CO 0.07 -0.13 -0.21 -0.42 0.00 0.00 0.00 173.10 172.41 1sjs s ILE 196 N -1.84 1.66 0.05 0.90 -1.09 -1.06 -4.95 121.20 114.87 1sjs s ILE 196 Ca 0.48 -0.89 0.05 0.00 -2.23 0.00 0.00 60.65 58.06 1sjs s ILE 196 Cb -0.11 -1.38 -0.02 0.00 -1.58 0.00 0.00 42.46 39.36 1sjs s ILE 196 CO 0.21 0.47 -0.15 -0.83 -1.23 0.00 0.00 174.94 173.41 1sjs s GLY 197 N -0.43 0.86 -0.07 6.18 0.00 -1.26 -1.50 107.32 111.10 1sjs s GLY 197 Ca 0.06 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.89 1sjs s GLY 197 CO -0.00 -0.89 -0.11 -0.42 0.00 0.00 0.00 173.10 171.67 1sjs s ILE 198 N -0.96 3.31 -0.41 0.90 -1.09 -0.27 -5.00 121.20 117.69 1sjs s ILE 198 Ca 0.02 -0.62 0.04 0.00 -2.23 0.00 0.00 60.65 57.85 1sjs s ILE 198 Cb -0.09 -2.34 0.11 0.00 -1.58 0.00 0.00 42.46 38.57 1sjs s ILE 198 CO 0.02 0.58 0.14 -0.75 -1.23 0.00 0.00 174.94 173.69 1sjs s LYS 199 N -0.55 1.58 0.23 2.79 2.20 -1.26 -4.28 119.74 120.46 1sjs s LYS 199 Ca 0.08 -2.09 -0.08 0.00 -0.36 0.00 0.00 55.97 53.52 1sjs s LYS 199 Cb -0.12 -3.10 -0.07 0.00 -1.51 0.00 0.00 37.83 33.03 1sjs s LYS 199 CO 0.02 -1.02 0.53 -1.25 -0.36 0.00 0.00 175.35 173.27 1sjs s PRO 200 N 0.51 3.75 -0.24 4.03 0.04 -1.26 -4.89 135.00 136.93 1sjs s PRO 200 Ca 0.13 0.18 -0.03 0.00 0.04 0.00 0.00 61.00 61.32 1sjs s PRO 200 Cb -0.22 -2.67 0.13 0.00 0.04 0.00 0.00 34.50 31.79 1sjs s PRO 200 CO -0.06 0.31 0.41 0.00 0.04 0.00 0.00 177.00 177.70 1sjs s SER 202 N 2.59 5.61 0.12 0.00 1.04 -1.26 -4.93 113.70 116.88 1sjs s SER 202 Ca 0.12 -0.26 -0.18 0.00 0.48 0.00 0.00 55.95 56.10 1sjs s SER 202 Cb -0.15 -1.34 -0.04 0.00 0.10 0.00 0.00 66.02 64.59 1sjs s SER 202 CO -0.16 -0.16 1.70 -0.08 0.98 0.00 0.00 173.24 175.52 1sjs h GLU 203 N 1.33 0.41 -0.04 4.02 4.81 -1.99 -1.96 114.58 121.16 1sjs h GLU 203 Ca -0.48 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1sjs h GLU 203 Cb 1.24 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 1sjs h GLU 203 CO 0.59 0.37 0.01 1.49 -0.73 0.00 0.00 179.01 180.75 1sjs h GLU 204 N 0.34 0.06 -0.84 1.92 4.81 -1.98 0.19 114.58 119.07 1sjs h GLU 204 Ca 0.10 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.42 1sjs h GLU 204 Cb 0.09 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 1sjs h GLU 204 CO -0.01 0.22 0.55 0.78 -0.73 0.00 0.00 179.01 179.81 1sjs h GLY 205 N -0.12 1.15 0.31 1.92 0.00 -1.96 -0.44 103.07 103.93 1sjs h GLY 205 Ca 0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1sjs h GLY 205 CO -0.00 0.18 -0.02 -0.84 0.00 0.00 0.00 176.54 175.86 1sjs h THR 206 N 0.79 1.37 -0.23 4.70 2.02 -1.05 -3.23 112.91 117.27 1sjs h THR 206 Ca 0.39 -1.52 0.03 0.00 0.77 0.00 0.00 66.41 66.08 1sjs h THR 206 Cb 0.45 2.35 -0.03 0.00 -1.74 0.00 0.00 68.15 69.18 1sjs h THR 206 CO -0.16 0.37 0.02 0.11 0.37 0.00 0.00 175.52 176.24 1sjs h LYS 207 N -0.75 0.10 -0.43 6.66 1.79 -0.27 -1.35 116.57 122.33 1sjs h LYS 207 Ca -0.01 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1sjs h LYS 207 Cb 0.65 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 1sjs h LYS 207 CO 0.01 0.07 0.23 0.07 -1.08 0.00 0.00 179.45 178.74 1sjs h ARG 208 N 0.10 0.58 -0.00 3.15 0.11 -1.23 0.11 114.38 117.21 1sjs h ARG 208 Ca 0.11 -0.06 -0.00 0.00 0.10 0.00 0.00 59.98 60.13 1sjs h ARG 208 Cb 0.12 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1sjs h ARG 208 CO -0.16 0.44 -0.01 1.25 0.10 0.00 0.00 179.97 181.58 1sjs h LEU 209 N 0.59 0.02 -1.02 0.08 5.85 -1.50 -2.98 115.31 116.35 1sjs h LEU 209 Ca 0.15 -0.68 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 1sjs h LEU 209 Cb 0.03 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1sjs h LEU 209 CO -0.02 0.69 0.52 0.58 -0.34 0.00 0.00 178.44 179.87 1sjs h VAL 210 N -0.66 1.24 -0.08 1.05 2.07 -1.03 -1.70 116.25 117.14 1sjs h VAL 210 Ca -0.00 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.01 1sjs h VAL 210 Cb 0.69 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1sjs h VAL 210 CO 0.00 0.26 -0.18 -0.09 0.02 0.00 0.00 177.57 177.58 1sjs h ARG 211 N 1.21 -0.24 -0.96 1.57 2.43 -0.84 -1.29 114.38 116.27 1sjs h ARG 211 Ca 0.31 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.53 1sjs h ARG 211 Cb -0.04 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 1sjs h ARG 211 CO -0.06 -0.16 0.63 0.00 -1.51 0.00 0.00 179.97 178.87 1sjs h ALA 212 N 0.74 1.37 -0.07 2.80 0.00 -1.29 -0.28 119.26 122.53 1sjs h ALA 212 Ca 0.08 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1sjs h ALA 212 Cb 0.36 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1sjs h ALA 212 CO -0.23 0.54 -0.11 0.00 0.00 0.00 0.00 179.25 179.46 1sjs h ALA 213 N 1.43 -0.07 -0.50 0.00 0.00 -0.36 0.12 119.26 119.89 1sjs h ALA 213 Ca 0.38 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.23 1sjs h ALA 213 Cb -0.02 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1sjs h ALA 213 CO -0.11 -0.58 -0.01 0.82 0.00 0.00 0.00 179.25 179.37 1sjs h ILE 214 N -0.16 1.26 -0.44 0.00 2.04 -0.86 -1.67 117.51 117.69 1sjs h ILE 214 Ca 0.06 -1.10 0.06 0.00 1.00 0.00 0.00 64.86 64.88 1sjs h ILE 214 Cb 0.25 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 1sjs h ILE 214 CO -0.16 0.39 0.12 -0.33 0.00 0.00 0.00 178.15 178.16 1sjs h GLU 215 N 0.75 0.25 -0.39 2.37 4.39 -0.69 -0.30 114.58 120.96 1sjs h GLU 215 Ca 0.14 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.85 1sjs h GLU 215 Cb 0.54 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1sjs h GLU 215 CO 0.03 0.17 0.22 -0.92 -1.16 0.00 0.00 179.01 177.35 1sjs h TYR 216 N 0.26 0.41 -0.97 4.33 5.03 -0.44 0.15 116.97 125.74 1sjs h TYR 216 Ca 0.21 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.54 1sjs h TYR 216 Cb 0.24 -0.13 -0.05 0.00 1.55 0.00 0.00 36.73 38.34 1sjs h TYR 216 CO -0.19 0.24 0.63 0.00 -1.32 0.00 0.00 178.16 177.52 1sjs h ALA 217 N 1.18 1.23 0.25 1.82 0.00 -0.42 0.11 119.26 123.43 1sjs h ALA 217 Ca 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1sjs h ALA 217 Cb 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1sjs h ALA 217 CO -0.08 0.63 -0.12 0.82 0.00 0.00 0.00 179.25 180.50 1sjs h ILE 218 N 1.31 0.77 -0.91 0.00 2.04 -0.62 0.29 117.51 120.40 1sjs h ILE 218 Ca 0.35 -0.75 0.16 0.00 1.00 0.00 0.00 64.86 65.62 1sjs h ILE 218 Cb -0.14 1.16 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 1sjs h ILE 218 CO -0.07 0.15 0.58 0.00 0.00 0.00 0.00 178.15 178.81 1sjs h ALA 219 N -0.19 1.90 -0.52 1.87 0.00 -0.47 -1.74 119.26 120.12 1sjs h ALA 219 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sjs h ALA 219 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1sjs h ALA 219 CO 0.06 -0.17 0.00 0.09 0.00 0.00 0.00 179.25 179.23 1sjs n ASN 220 N -4.57 3.52 -3.63 0.00 3.02 0.37 -4.99 115.26 108.97 1sjs n ASN 220 Ca 0.18 -2.08 -0.24 0.00 -0.03 0.00 0.00 54.58 52.42 1sjs n ASN 220 Cb 0.53 -0.37 0.04 0.00 -0.61 0.00 0.00 39.78 39.37 1sjs n ASN 220 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1sjs n ASP 221 N 0.97 -3.26 -4.93 6.41 2.03 -0.17 -4.98 116.55 112.62 1sjs n ASP 221 Ca 0.18 -0.87 -0.25 0.00 0.52 0.00 0.00 54.79 54.37 1sjs n ASP 221 Cb 0.56 -4.00 0.01 0.00 -0.72 0.00 0.00 41.12 36.97 1sjs n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1sjs s ARG 222 N -5.74 3.20 0.02 -0.67 1.81 0.85 -5.03 118.95 113.39 1sjs s ARG 222 Ca 0.22 -0.18 0.03 0.00 -1.72 0.00 0.00 55.73 54.08 1sjs s ARG 222 Cb -0.06 -2.46 -0.25 0.00 -0.45 0.00 0.00 34.95 31.73 1sjs s ARG 222 CO 0.82 -0.30 0.92 -0.44 -0.68 0.00 0.00 175.30 175.62 1sjs h ASP 223 N 0.26 0.19 -4.97 0.23 3.32 -1.94 -3.45 116.42 110.07 1sjs h ASP 223 Ca -0.47 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.31 1sjs h ASP 223 Cb 1.24 -0.06 -0.12 0.00 0.22 0.00 0.00 39.33 40.61 1sjs h ASP 223 CO 0.60 1.23 0.24 -0.94 -1.72 0.00 0.00 179.24 178.64 1sjs s SER 224 N -6.70 -0.54 -0.14 6.45 1.04 -1.26 -1.90 113.70 110.66 1sjs s SER 224 Ca -0.05 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.36 1sjs s SER 224 Cb 0.08 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.81 1sjs s SER 224 CO 0.84 -0.96 -0.16 -0.69 0.98 0.00 0.00 173.24 173.24 1sjs s VAL 225 N -3.70 1.68 -0.21 5.02 1.01 -0.35 -1.16 120.40 122.68 1sjs s VAL 225 Ca 0.02 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 1sjs s VAL 225 Cb -0.01 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 1sjs s VAL 225 CO -0.12 0.48 -0.02 -0.89 0.00 0.00 0.00 175.10 174.55 1sjs s THR 226 N 1.23 3.64 -0.48 3.92 2.01 0.12 -1.85 115.64 124.23 1sjs s THR 226 Ca 0.00 -0.41 -0.25 0.00 0.31 0.00 0.00 61.69 61.35 1sjs s THR 226 Cb -0.14 -2.66 0.03 0.00 0.01 0.00 0.00 72.50 69.75 1sjs s THR 226 CO -0.07 0.42 0.91 -0.76 -0.69 0.00 0.00 174.62 174.42 1sjs s LEU 227 N 1.30 4.06 -0.14 4.42 1.43 0.16 -0.75 118.68 129.16 1sjs s LEU 227 Ca 0.04 -0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 52.98 1sjs s LEU 227 Cb -0.14 -3.07 -0.05 0.00 0.03 0.00 0.00 46.19 42.95 1sjs s LEU 227 CO -0.00 -1.07 0.27 -0.69 0.23 0.00 0.00 176.35 175.08 1sjs s VAL 228 N 3.73 5.31 0.19 -1.59 1.01 -0.45 -2.45 120.40 126.15 1sjs s VAL 228 Ca 0.34 0.51 -0.23 0.00 0.00 0.00 0.00 61.98 62.60 1sjs s VAL 228 Cb -0.11 -3.60 0.05 0.00 0.00 0.00 0.00 36.38 32.73 1sjs s VAL 228 CO 0.24 0.45 0.72 -1.38 0.00 0.00 0.00 175.10 175.13 1sjs s HIS 229 N 0.09 -0.33 -0.55 5.22 -3.43 -1.06 -4.38 115.29 110.84 1sjs s HIS 229 Ca 0.16 0.02 0.04 0.00 -0.80 0.00 0.00 55.06 54.48 1sjs s HIS 229 Cb -0.13 0.63 0.39 0.00 -1.43 0.00 0.00 32.58 32.03 1sjs s HIS 229 CO 0.04 -0.97 1.23 1.17 -2.00 0.00 0.00 174.74 174.21 1sjs n LYS 230 N -0.41 3.40 0.28 -0.38 3.00 -1.26 -0.30 118.16 122.49 1sjs n LYS 230 Ca -0.10 -4.47 0.18 0.00 -0.00 0.00 0.00 58.31 53.92 1sjs n LYS 230 Cb 0.62 -2.26 0.73 0.00 0.00 0.00 0.00 35.03 34.12 1sjs n LYS 230 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1sjs h GLY 231 N 2.80 0.00 2.00 3.14 0.00 -1.80 -1.62 103.07 107.59 1sjs h GLY 231 Ca 0.31 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.57 1sjs h GLY 231 CO 0.94 0.00 -0.35 3.45 0.00 0.00 0.00 176.54 180.58 1sjs h ASN 232 N 0.00 0.00 0.00 0.19 -1.07 -1.96 -3.16 115.58 109.58 1sjs h ASN 232 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.23 1sjs h ASN 232 Cb 0.45 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.68 1sjs h ASN 232 CO 0.00 0.35 -1.48 -0.38 0.07 0.00 0.00 177.43 175.99 1sjs n ILE 233 N -3.89 1.51 -3.15 6.14 2.08 -1.13 -4.74 119.36 116.18 1sjs n ILE 233 Ca -0.01 -0.02 -0.44 0.00 0.56 0.00 0.00 62.75 62.83 1sjs n ILE 233 Cb 0.41 -2.21 0.00 0.00 -0.75 0.00 0.00 39.64 37.10 1sjs n ILE 233 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34 1sjs n MET 234 N -4.40 3.53 0.16 0.38 2.81 -0.63 -4.88 117.12 114.11 1sjs n MET 234 Ca -0.26 -4.21 -0.14 0.00 -1.81 0.00 0.00 57.70 51.27 1sjs n MET 234 Cb 0.63 -2.74 -0.08 0.00 -0.71 0.00 0.00 33.22 30.33 1sjs n MET 234 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1sjs h LYS 235 N 6.73 -0.34 0.00 0.03 1.57 -1.80 0.02 116.57 122.78 1sjs h LYS 235 Ca 0.24 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1sjs h LYS 235 Cb 0.85 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1sjs h LYS 235 CO 1.14 -0.19 0.00 1.19 -0.57 0.00 0.00 179.45 181.02 1sjs n PHE 236 N -5.22 0.00 0.00 -1.35 3.72 -1.26 -0.51 117.46 112.84 1sjs n PHE 236 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1sjs n PHE 236 Cb 0.17 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 1sjs n PHE 236 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1sjs n THR 237 N -0.97 0.00 -0.09 4.37 -2.24 -1.21 -4.58 114.28 109.57 1sjs n THR 237 Ca 0.17 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.84 1sjs n THR 237 Cb 0.08 -0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 67.66 1sjs n THR 237 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1sjs h GLU 238 N 0.00 0.45 -0.67 -0.78 4.39 -1.38 -0.15 114.58 116.44 1sjs h GLU 238 Ca 0.00 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 1sjs h GLU 238 Cb 0.00 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1sjs h GLU 238 CO 0.00 0.60 0.24 0.78 -1.16 0.00 0.00 179.01 179.46 1sjs h GLY 239 N 0.24 1.09 1.45 -3.84 0.00 -0.46 -1.91 103.07 99.64 1sjs h GLY 239 Ca 0.08 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1sjs h GLY 239 CO 0.01 0.58 0.30 0.00 0.00 0.00 0.00 176.54 177.43 1sjs h ALA 240 N 1.10 1.52 0.12 3.60 0.00 -0.55 -1.00 119.26 124.05 1sjs h ALA 240 Ca 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1sjs h ALA 240 Cb 0.26 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1sjs h ALA 240 CO -0.01 0.40 -0.08 0.35 0.00 0.00 0.00 179.25 179.91 1sjs h PHE 241 N 0.74 -0.21 -0.39 0.00 3.57 -0.25 -0.43 116.94 119.96 1sjs h PHE 241 Ca 0.19 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1sjs h PHE 241 Cb 0.01 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1sjs h PHE 241 CO 0.00 -0.13 0.07 -0.22 -2.23 0.00 0.00 178.31 175.80 1sjs h LYS 242 N -0.20 0.58 0.16 1.11 3.11 -0.92 -0.86 116.57 119.55 1sjs h LYS 242 Ca -0.01 -0.11 -0.01 0.00 -2.81 0.00 0.00 60.65 57.71 1sjs h LYS 242 Cb 0.17 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.31 1sjs h LYS 242 CO 0.00 0.56 -0.08 -0.44 -2.81 0.00 0.00 179.45 176.69 1sjs h ASP 243 N 0.57 -0.19 -0.75 4.20 3.32 -0.85 -2.04 116.42 120.69 1sjs h ASP 243 Ca 0.13 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 56.94 1sjs h ASP 243 Cb 0.26 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 1sjs h ASP 243 CO 0.00 0.17 0.49 -0.50 -1.72 0.00 0.00 179.24 177.69 1sjs h TRP 244 N -0.57 0.92 -0.04 4.55 6.55 -0.96 -0.34 115.95 126.05 1sjs h TRP 244 Ca -0.02 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 1sjs h TRP 244 Cb 0.43 -0.31 -0.00 0.00 -0.86 0.00 0.00 29.16 28.42 1sjs h TRP 244 CO 0.03 0.56 0.02 0.78 -1.05 0.00 0.00 178.44 178.79 1sjs h GLY 245 N 0.98 0.05 1.21 1.49 0.00 -1.07 -0.59 103.07 105.14 1sjs h GLY 245 Ca 0.28 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.51 1sjs h GLY 245 CO -0.07 0.02 0.06 -0.97 0.00 0.00 0.00 176.54 175.58 1sjs h TYR 246 N 0.00 1.03 -0.47 5.60 0.05 -0.97 -2.60 116.97 119.62 1sjs h TYR 246 Ca 0.01 -0.14 0.01 0.00 0.05 0.00 0.00 58.73 58.66 1sjs h TYR 246 Cb 0.05 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.48 1sjs h TYR 246 CO -0.06 0.90 0.31 0.37 -1.05 0.00 0.00 178.16 178.62 1sjs h GLN 247 N 0.90 0.61 -0.48 4.88 4.15 -0.83 -2.58 115.11 121.76 1sjs h GLN 247 Ca 0.18 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 1sjs h GLN 247 Cb 0.45 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 1sjs h GLN 247 CO 0.02 0.40 0.23 1.25 -1.93 0.00 0.00 178.83 178.80 1sjs h LEU 248 N 0.63 0.63 -0.77 -2.39 5.85 -0.93 -1.63 115.31 116.71 1sjs h LEU 248 Ca 0.17 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1sjs h LEU 248 Cb -0.06 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 1sjs h LEU 248 CO -0.04 0.59 0.47 0.00 -0.34 0.00 0.00 178.44 179.11 1sjs h ALA 249 N 1.07 1.03 0.46 1.25 0.00 -1.25 0.69 119.26 122.52 1sjs h ALA 249 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1sjs h ALA 249 Cb 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1sjs h ALA 249 CO -0.02 0.22 -0.22 0.00 0.00 0.00 0.00 179.25 179.23 1sjs h ARG 250 N 0.88 -0.60 0.10 0.00 3.08 -1.21 -0.95 114.38 115.68 1sjs h ARG 250 Ca 0.33 0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.44 1sjs h ARG 250 Cb 0.11 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 1sjs h ARG 250 CO -0.15 -0.40 -0.28 0.93 -1.07 0.00 0.00 179.97 178.99 1sjs h GLU 251 N -0.77 -0.47 0.05 0.04 5.08 -1.23 -0.78 114.58 116.49 1sjs h GLU 251 Ca -0.06 0.03 -0.29 0.00 -1.00 0.00 0.00 59.36 58.03 1sjs h GLU 251 Cb 0.48 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1sjs h GLU 251 CO 0.10 -0.32 -1.61 0.93 -1.00 0.00 0.00 179.01 177.12 1sjs h GLU 252 N -0.49 0.10 -0.42 2.33 5.08 -1.01 -3.38 114.58 116.79 1sjs h GLU 252 Ca 0.04 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1sjs h GLU 252 Cb 0.53 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1sjs h GLU 252 CO -0.18 0.82 0.00 1.19 -1.00 0.00 0.00 179.01 179.84 1sjs n PHE 253 N -3.25 0.60 -3.68 4.33 3.72 -0.55 -4.98 117.46 113.65 1sjs n PHE 253 Ca -0.17 -0.52 -0.24 0.00 -0.05 0.00 0.00 57.45 56.48 1sjs n PHE 253 Cb 1.03 -0.04 0.05 0.00 -0.94 0.00 0.00 39.48 39.59 1sjs n PHE 253 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sjs n GLY 254 N 0.68 -0.43 3.74 1.37 0.00 -0.31 -4.67 105.19 105.58 1sjs n GLY 254 Ca 0.15 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 1sjs n GLY 254 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sjs s GLY 255 N -3.81 2.73 -0.06 -0.02 0.00 -0.47 -4.76 107.32 100.93 1sjs s GLY 255 Ca 0.33 0.92 0.02 0.00 0.00 0.00 0.00 44.72 45.99 1sjs s GLY 255 CO 0.78 1.80 -0.08 -0.54 0.00 0.00 0.00 173.10 175.06 1sjs s GLU 256 N -0.33 2.69 0.35 2.90 2.02 -0.70 -4.54 118.70 121.10 1sjs s GLU 256 Ca 0.52 -0.59 -0.28 0.00 0.02 0.00 0.00 54.97 54.64 1sjs s GLU 256 Cb -0.32 -2.54 -0.10 0.00 0.10 0.00 0.00 34.13 31.26 1sjs s GLU 256 CO 0.37 0.65 1.35 -0.51 0.02 0.00 0.00 175.26 177.14 1sjs s LEU 257 N -0.84 4.37 -0.30 1.80 1.43 -1.26 -0.49 118.68 123.40 1sjs s LEU 257 Ca 0.13 2.77 -0.10 0.00 -1.03 0.00 0.00 54.13 55.89 1sjs s LEU 257 Cb -0.11 -3.69 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 1sjs s LEU 257 CO 0.02 -0.66 0.17 -0.63 0.23 0.00 0.00 176.35 175.48 1sjs s ILE 258 N -1.15 4.93 -1.57 -0.59 1.01 0.24 -4.36 121.20 119.71 1sjs s ILE 258 Ca 0.51 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.02 1sjs s ILE 258 Cb -0.41 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1sjs s ILE 258 CO 0.55 0.16 0.00 -0.67 0.00 0.00 0.00 174.94 174.98 1sjs n ASP 259 N 5.02 -4.64 0.00 3.58 2.03 -1.26 -0.20 116.55 121.09 1sjs n ASP 259 Ca -0.14 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1sjs n ASP 259 Cb 0.51 -4.03 0.00 0.00 -0.72 0.00 0.00 41.12 36.88 1sjs n ASP 259 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sjs n GLY 260 N -0.63 2.21 3.61 0.27 0.00 -1.26 -4.97 105.19 104.41 1sjs n GLY 260 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 1sjs n GLY 260 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sjs s GLY 261 N -1.74 1.60 0.56 -0.02 0.00 0.73 -4.90 107.32 103.55 1sjs s GLY 261 Ca 0.00 0.08 0.23 0.00 0.00 0.00 0.00 44.72 45.03 1sjs s GLY 261 CO 0.00 0.65 2.16 -0.56 0.00 0.00 0.00 173.10 175.35 1sjs h PRO 262 N -2.11 0.00 -6.85 2.90 0.13 -1.94 -3.34 132.00 120.79 1sjs h PRO 262 Ca -0.53 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.07 1sjs h PRO 262 Cb 1.30 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.52 1sjs h PRO 262 CO 0.49 0.00 0.80 -1.58 -0.23 0.00 0.00 178.00 177.48 1sjs s TRP 263 N -4.85 2.77 0.42 1.56 0.52 -1.26 -4.88 118.94 113.22 1sjs s TRP 263 Ca -0.05 1.04 0.07 0.00 0.02 0.00 0.00 56.10 57.18 1sjs s TRP 263 Cb 0.16 -3.96 -0.05 0.00 -1.15 0.00 0.00 33.47 28.47 1sjs s TRP 263 CO 0.62 -3.01 0.17 -0.51 0.02 0.00 0.00 176.95 174.24 1sjs s LEU 264 N -1.21 3.05 -0.06 2.99 1.43 -0.40 -0.59 118.68 123.89 1sjs s LEU 264 Ca 0.57 -1.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1sjs s LEU 264 Cb -0.45 -1.36 0.03 0.00 0.03 0.00 0.00 46.19 44.43 1sjs s LEU 264 CO 0.53 -0.57 -0.01 -1.59 0.23 0.00 0.00 176.35 174.94 1sjs s LYS 265 N -3.91 0.57 -0.19 1.70 -2.85 0.35 -1.12 119.74 114.30 1sjs s LYS 265 Ca 0.39 0.07 -0.04 0.00 -1.00 0.00 0.00 55.97 55.39 1sjs s LYS 265 Cb 0.04 -0.83 -0.02 0.00 -2.06 0.00 0.00 37.83 34.96 1sjs s LYS 265 CO 0.21 -0.22 -0.04 0.08 0.10 0.00 0.00 175.35 175.48 1sjs s VAL 266 N 1.57 3.54 -0.09 1.79 1.01 0.90 -1.71 120.40 127.41 1sjs s VAL 266 Ca -0.01 -0.45 -0.26 0.00 0.00 0.00 0.00 61.98 61.25 1sjs s VAL 266 Cb -0.13 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1sjs s VAL 266 CO -0.03 0.45 0.85 -1.59 0.00 0.00 0.00 175.10 174.77 1sjs s LYS 267 N 1.06 4.42 -0.35 2.72 0.00 -1.26 0.66 119.74 126.99 1sjs s LYS 267 Ca 0.01 1.12 -0.29 0.00 0.00 0.00 0.00 55.97 56.81 1sjs s LYS 267 Cb -0.15 -3.50 -0.00 0.00 0.00 0.00 0.00 37.83 34.18 1sjs s LYS 267 CO 0.00 -0.14 1.46 1.21 0.00 0.00 0.00 175.35 177.88 1sjs s ASN 268 N 1.01 6.36 0.00 0.03 3.84 0.76 -4.88 114.94 122.06 1sjs s ASN 268 Ca 0.43 1.08 0.02 0.00 0.21 0.00 0.00 52.86 54.60 1sjs s ASN 268 Cb -0.18 -2.54 0.10 0.00 -0.55 0.00 0.00 41.25 38.09 1sjs s ASN 268 CO 0.19 -1.36 0.85 -0.81 -2.79 0.00 0.00 177.10 173.17 1sjs n PRO 269 N 7.89 0.03 -0.03 0.43 -0.04 -1.26 -0.24 135.00 141.78 1sjs n PRO 269 Ca 0.17 0.24 -0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1sjs n PRO 269 Cb 0.47 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.35 1sjs n PRO 269 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1sjs n ASN 270 N -1.26 2.50 0.00 3.54 3.02 -1.26 -4.77 115.26 117.03 1sjs n ASN 270 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1sjs n ASN 270 Cb 0.02 1.09 0.00 0.00 -0.61 0.00 0.00 39.78 40.28 1sjs n ASN 270 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1sjs n THR 271 N -2.15 0.00 -0.13 3.41 -2.24 -1.02 -5.01 114.28 107.13 1sjs n THR 271 Ca -0.10 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1sjs n THR 271 Cb 0.58 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1sjs n THR 271 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sjs n GLY 272 N 2.18 1.66 3.76 3.38 0.00 0.67 -5.01 105.19 111.83 1sjs n GLY 272 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1sjs n GLY 272 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sjs s LYS 273 N -0.37 3.55 -0.54 1.61 2.20 -1.26 -4.58 119.74 120.34 1sjs s LYS 273 Ca 0.00 2.22 -0.18 0.00 -0.36 0.00 0.00 55.97 57.65 1sjs s LYS 273 Cb 0.00 -2.50 0.09 0.00 -1.51 0.00 0.00 37.83 33.91 1sjs s LYS 273 CO 0.00 -0.86 0.62 -1.21 -0.36 0.00 0.00 175.35 173.55 1sjs s GLU 274 N -2.60 3.06 -0.21 4.03 0.41 -1.26 -0.17 118.70 121.96 1sjs s GLU 274 Ca 0.64 -1.21 -0.29 0.00 -0.41 0.00 0.00 54.97 53.70 1sjs s GLU 274 Cb -0.40 -4.20 0.00 0.00 -1.78 0.00 0.00 34.13 27.76 1sjs s GLU 274 CO 0.49 -1.35 1.07 0.42 -0.49 0.00 0.00 175.26 175.40 1sjs s ILE 275 N 2.45 4.63 -0.02 -1.63 1.01 0.21 -4.84 121.20 123.00 1sjs s ILE 275 Ca 0.11 1.96 -0.26 0.00 0.00 0.00 0.00 60.65 62.45 1sjs s ILE 275 Cb -0.23 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 1sjs s ILE 275 CO 0.08 -0.15 0.82 -0.69 0.00 0.00 0.00 174.94 174.99 1sjs s VAL 276 N 3.11 4.92 -0.32 2.92 1.01 -0.80 -0.07 120.40 131.18 1sjs s VAL 276 Ca 0.46 1.71 -0.07 0.00 0.00 0.00 0.00 61.98 64.08 1sjs s VAL 276 Cb -0.16 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.08 1sjs s VAL 276 CO 0.09 0.24 0.10 -0.63 0.00 0.00 0.00 175.10 174.90 1sjs s ILE 277 N 0.74 3.94 0.27 2.22 -1.09 -0.27 -1.22 121.20 125.78 1sjs s ILE 277 Ca 0.43 -0.92 0.03 0.00 -2.23 0.00 0.00 60.65 57.97 1sjs s ILE 277 Cb -0.19 -3.14 -0.01 0.00 -1.58 0.00 0.00 42.46 37.53 1sjs s ILE 277 CO 0.23 -0.07 0.11 2.29 -1.23 0.00 0.00 174.94 176.27 1sjs n LYS 278 N 4.85 0.64 -3.77 2.79 2.85 -0.77 -1.28 118.16 123.47 1sjs n LYS 278 Ca -0.13 -2.35 -0.13 0.00 -1.05 0.00 0.00 58.31 54.64 1sjs n LYS 278 Cb 0.46 1.36 -0.09 0.00 -0.65 0.00 0.00 35.03 36.11 1sjs n LYS 278 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1sjs s ASP 279 N -2.70 -0.20 -0.01 -5.58 -4.77 -1.26 -0.66 116.67 101.49 1sjs s ASP 279 Ca 0.16 0.15 -0.03 0.00 -3.30 0.00 0.00 52.55 49.52 1sjs s ASP 279 Cb 0.01 0.35 -0.00 0.00 -1.09 0.00 0.00 42.92 42.19 1sjs s ASP 279 CO 0.11 -0.39 0.07 0.68 0.70 0.00 0.00 175.17 176.34 1sjs s VAL 280 N -1.12 0.06 0.18 2.11 -7.23 -1.03 -4.93 120.40 108.44 1sjs s VAL 280 Ca -0.12 -0.47 -0.30 0.00 -1.81 0.00 0.00 61.98 59.28 1sjs s VAL 280 Cb -0.05 -0.26 -0.08 0.00 0.56 0.00 0.00 36.38 36.55 1sjs s VAL 280 CO 0.04 -0.26 1.15 -0.63 -0.31 0.00 0.00 175.10 175.09 1sjs s ILE 281 N -0.82 3.70 0.24 -0.62 -1.09 -1.25 -2.56 121.20 118.80 1sjs s ILE 281 Ca -0.09 1.45 -0.13 0.00 -2.23 0.00 0.00 60.65 59.65 1sjs s ILE 281 Cb -0.05 -3.93 0.32 0.00 -1.58 0.00 0.00 42.46 37.22 1sjs s ILE 281 CO 0.00 0.24 1.58 0.00 -1.23 0.00 0.00 174.94 175.53 1sjs h ALA 282 N 5.17 0.41 0.00 9.38 0.00 -1.00 0.20 119.26 133.42 1sjs h ALA 282 Ca -0.44 0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1sjs h ALA 282 Cb 1.21 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 1sjs h ALA 282 CO 0.73 -0.48 -0.28 0.38 0.00 0.00 0.00 179.25 179.61 1sjs h ASP 283 N -0.02 0.00 0.73 0.00 2.03 -1.92 -2.26 116.42 114.98 1sjs h ASP 283 Ca 0.38 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 56.43 1sjs h ASP 283 Cb 0.62 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.11 1sjs h ASP 283 CO -0.90 0.28 -1.22 0.00 -1.03 0.00 0.00 179.24 176.37 1sjs h ALA 284 N 1.72 0.23 -0.68 4.15 0.00 -1.19 -3.27 119.26 120.23 1sjs h ALA 284 Ca -0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 54.91 53.93 1sjs h ALA 284 Cb 0.53 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1sjs h ALA 284 CO 0.04 1.11 0.32 0.35 0.00 0.00 0.00 179.25 181.06 1sjs h PHE 285 N 0.05 0.99 -0.25 0.00 3.57 -0.38 -0.86 116.94 120.05 1sjs h PHE 285 Ca -0.11 -0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.41 1sjs h PHE 285 Cb 1.91 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 40.34 1sjs h PHE 285 CO 0.04 0.74 0.20 -0.07 -2.23 0.00 0.00 178.31 176.99 1sjs h LEU 286 N 0.95 0.00 0.19 0.59 3.38 -1.47 0.54 115.31 119.48 1sjs h LEU 286 Ca 0.23 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.91 1sjs h LEU 286 Cb 0.13 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.91 1sjs h LEU 286 CO -0.03 0.00 -1.33 1.56 0.09 0.00 0.00 178.44 178.73 1sjs h GLN 287 N 0.00 0.40 -1.01 1.13 4.20 -1.47 -3.36 115.11 115.00 1sjs h GLN 287 Ca 0.12 -0.68 0.04 0.00 0.06 0.00 0.00 58.65 58.19 1sjs h GLN 287 Cb 0.52 0.25 -0.06 0.00 0.30 0.00 0.00 27.48 28.49 1sjs h GLN 287 CO -0.00 1.33 0.66 1.96 -0.67 0.00 0.00 178.83 182.10 1sjs h GLN 288 N -0.09 1.22 0.00 1.46 1.08 0.39 -1.08 115.11 118.09 1sjs h GLN 288 Ca -0.25 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 56.86 1sjs h GLN 288 Cb 1.94 -0.27 -0.00 0.00 -0.05 0.00 0.00 27.48 29.09 1sjs h GLN 288 CO 0.19 0.81 -0.06 -0.84 -0.95 0.00 0.00 178.83 177.98 1sjs h ILE 289 N 1.26 0.35 0.10 2.54 3.07 -1.13 0.38 117.51 124.07 1sjs h ILE 289 Ca 0.41 -0.31 -0.35 0.00 1.55 0.00 0.00 64.86 66.16 1sjs h ILE 289 Cb 0.04 1.22 -0.02 0.00 -0.27 0.00 0.00 36.82 37.79 1sjs h ILE 289 CO -0.14 0.05 -1.92 0.18 -1.05 0.00 0.00 178.15 175.28 1sjs n LEU 290 N -3.47 2.18 0.00 0.16 4.77 -0.56 -3.77 117.00 116.31 1sjs n LEU 290 Ca -0.02 0.27 -0.17 0.00 -0.03 0.00 0.00 56.01 56.06 1sjs n LEU 290 Cb 0.18 -0.79 -0.14 0.00 -2.33 0.00 0.00 43.42 40.34 1sjs n LEU 290 CO 0.27 0.73 -0.70 -0.07 -1.33 0.00 0.00 177.39 176.29 1sjs h LEU 291 N 0.05 0.29 -5.87 2.23 3.38 -0.96 -3.42 115.31 111.01 1sjs h LEU 291 Ca -0.39 -0.65 -0.49 0.00 0.09 0.00 0.00 57.88 56.45 1sjs h LEU 291 Cb 2.03 -0.09 -0.40 0.00 0.09 0.00 0.00 40.66 42.29 1sjs h LEU 291 CO 0.09 1.58 -1.14 0.54 0.09 0.00 0.00 178.44 179.60 1sjs n ARG 292 N -3.35 1.23 -0.07 1.13 1.74 0.13 -4.97 116.66 112.50 1sjs n ARG 292 Ca -0.27 -3.54 0.11 0.00 -0.77 0.00 0.00 57.85 53.38 1sjs n ARG 292 Cb 1.05 -1.75 0.49 0.00 -1.02 0.00 0.00 32.46 31.23 1sjs n ARG 292 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1sjs h PRO 293 N 3.00 0.42 0.00 5.56 0.13 -1.63 -2.28 132.00 137.20 1sjs h PRO 293 Ca 0.10 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1sjs h PRO 293 Cb 0.93 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1sjs h PRO 293 CO 0.54 0.28 0.00 0.00 -0.23 0.00 0.00 178.00 178.58 1sjs n ALA 294 N -2.51 1.43 0.85 -0.56 0.00 -1.16 -2.30 120.51 116.26 1sjs n ALA 294 Ca 0.09 0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.79 1sjs n ALA 294 Cb 0.33 -1.36 0.54 0.00 0.00 0.00 0.00 19.45 18.95 1sjs n ALA 294 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1sjs n GLU 295 N -2.26 0.10 -4.31 0.00 -0.58 -0.86 -4.86 120.64 107.87 1sjs n GLU 295 Ca 0.01 0.09 -0.26 0.00 -0.42 0.00 0.00 57.16 56.58 1sjs n GLU 295 Cb 0.16 -1.62 -0.09 0.00 -0.57 0.00 0.00 31.44 29.32 1sjs n GLU 295 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1sjs s TYR 296 N -3.04 2.61 0.00 -0.32 2.02 -0.97 -5.02 117.35 112.63 1sjs s TYR 296 Ca 0.13 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 1sjs s TYR 296 Cb 0.16 -1.24 0.00 0.00 -0.40 0.00 0.00 41.96 40.48 1sjs s TYR 296 CO 0.55 0.55 0.00 -3.47 -1.57 0.00 0.00 175.55 171.61 1sjs n ASP 297 N -0.18 0.00 -4.72 2.29 -0.08 -1.26 -4.72 116.55 107.88 1sjs n ASP 297 Ca -0.10 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.77 1sjs n ASP 297 Cb 0.56 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.99 1sjs n ASP 297 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1sjs s VAL 298 N 1.19 4.45 -0.08 5.18 1.01 -0.31 -1.45 120.40 130.40 1sjs s VAL 298 Ca 0.00 1.91 0.05 0.00 0.00 0.00 0.00 61.98 63.94 1sjs s VAL 298 Cb 0.00 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 1sjs s VAL 298 CO 0.00 0.23 -0.24 -0.63 0.00 0.00 0.00 175.10 174.46 1sjs s ILE 299 N 0.44 2.10 -0.14 2.22 -1.09 0.19 -0.70 121.20 124.22 1sjs s ILE 299 Ca 0.51 -1.03 0.02 0.00 -2.23 0.00 0.00 60.65 57.92 1sjs s ILE 299 Cb -0.24 -1.78 0.01 0.00 -1.58 0.00 0.00 42.46 38.87 1sjs s ILE 299 CO 0.30 0.56 -0.19 0.00 -1.23 0.00 0.00 174.94 174.38 1sjs s ALA 300 N 0.06 2.09 0.33 9.38 0.00 0.07 0.29 121.76 133.98 1sjs s ALA 300 Ca -0.10 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 50.75 1sjs s ALA 300 Cb -0.16 -0.99 0.02 0.00 0.00 0.00 0.00 23.12 21.99 1sjs s ALA 300 CO 0.06 -0.12 0.59 0.00 0.00 0.00 0.00 175.76 176.29 1sjs s MET 302 N -3.10 2.19 0.00 0.00 -1.94 -1.26 -1.36 119.30 113.83 1sjs s MET 302 Ca 0.23 0.02 0.00 0.00 -1.71 0.00 0.00 55.69 54.23 1sjs s MET 302 Cb -0.02 -2.05 0.00 0.00 2.01 0.00 0.00 34.83 34.77 1sjs s MET 302 CO 0.14 -1.37 0.97 -1.71 -0.01 0.00 0.00 175.02 173.04 1sjs n ASN 303 N -3.11 0.00 0.06 3.03 2.85 -0.89 -0.57 115.26 116.62 1sjs n ASN 303 Ca 0.08 0.97 -0.12 0.00 -0.11 0.00 0.00 54.58 55.40 1sjs n ASN 303 Cb 0.60 -0.48 -0.05 0.00 1.24 0.00 0.00 39.78 41.10 1sjs n ASN 303 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1sjs h LEU 304 N 0.00 -0.89 -0.87 1.20 6.46 -1.90 -1.32 115.31 117.98 1sjs h LEU 304 Ca 0.00 0.12 0.08 0.00 -0.12 0.00 0.00 57.88 57.96 1sjs h LEU 304 Cb 0.00 0.36 -0.07 0.00 -0.73 0.00 0.00 40.66 40.22 1sjs h LEU 304 CO 0.00 -0.36 0.52 0.78 -0.62 0.00 0.00 178.44 178.76 1sjs h ASN 305 N -0.44 0.79 -0.67 1.25 2.35 -1.91 -1.12 115.58 115.83 1sjs h ASN 305 Ca 0.06 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1sjs h ASN 305 Cb 0.53 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 1sjs h ASN 305 CO -0.26 0.48 0.35 1.23 -1.65 0.00 0.00 177.43 177.58 1sjs h GLY 306 N 0.91 1.03 0.67 2.83 0.00 -0.22 -1.57 103.07 106.73 1sjs h GLY 306 Ca 0.40 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1sjs h GLY 306 CO -0.21 0.46 -0.03 -1.80 0.00 0.00 0.00 176.54 174.96 1sjs h ASP 307 N 0.97 0.13 -0.04 0.19 3.58 -0.13 -2.38 116.42 118.75 1sjs h ASP 307 Ca 0.24 -0.40 -0.00 0.00 0.42 0.00 0.00 57.03 57.29 1sjs h ASP 307 Cb 0.07 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 1sjs h ASP 307 CO -0.04 0.50 0.02 1.88 -2.88 0.00 0.00 179.24 178.73 1sjs h TYR 308 N -0.23 0.05 -0.92 0.28 -1.99 -1.10 -2.77 116.97 110.29 1sjs h TYR 308 Ca 0.02 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1sjs h TYR 308 Cb 0.45 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 39.12 1sjs h TYR 308 CO 0.06 0.13 0.58 0.82 -0.00 0.00 0.00 178.16 179.76 1sjs h ILE 309 N -0.05 1.24 -0.03 -2.88 2.04 -1.37 -1.20 117.51 115.27 1sjs h ILE 309 Ca 0.01 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 1sjs h ILE 309 Cb 0.10 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1sjs h ILE 309 CO -0.00 0.25 0.02 0.28 0.00 0.00 0.00 178.15 178.69 1sjs h SER 310 N 1.25 0.04 -0.46 1.72 0.02 -1.35 -0.42 113.55 114.36 1sjs h SER 310 Ca 0.33 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.16 1sjs h SER 310 Cb -0.10 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1sjs h SER 310 CO -0.07 0.08 0.03 0.44 -1.14 0.00 0.00 176.83 176.17 1sjs h ASP 311 N -0.00 0.82 -0.58 3.07 3.32 -1.31 -1.25 116.42 120.48 1sjs h ASP 311 Ca 0.01 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 56.76 1sjs h ASP 311 Cb 0.05 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1sjs h ASP 311 CO -0.00 0.86 -0.05 0.00 -1.72 0.00 0.00 179.24 178.33 1sjs h ALA 312 N 1.23 0.80 -0.17 3.45 0.00 -1.03 -2.77 119.26 120.77 1sjs h ALA 312 Ca 0.16 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1sjs h ALA 312 Cb 0.44 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1sjs h ALA 312 CO 0.02 0.68 -0.14 -0.07 0.00 0.00 0.00 179.25 179.73 1sjs h LEU 313 N 0.96 0.42 -0.92 0.00 3.38 -0.78 -2.85 115.31 115.53 1sjs h LEU 313 Ca 0.16 -0.46 0.14 0.00 0.09 0.00 0.00 57.88 57.81 1sjs h LEU 313 Cb 0.62 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.16 1sjs h LEU 313 CO 0.04 0.79 0.53 0.00 0.09 0.00 0.00 178.44 179.89 1sjs h ALA 314 N 0.64 1.41 -0.67 1.53 0.00 -1.23 -0.96 119.26 119.98 1sjs h ALA 314 Ca 0.03 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1sjs h ALA 314 Cb 0.66 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1sjs h ALA 314 CO 0.04 0.03 0.23 0.00 0.00 0.00 0.00 179.25 179.55 1sjs h ALA 315 N 1.56 0.87 -0.53 0.00 0.00 -1.43 0.18 119.26 119.91 1sjs h ALA 315 Ca 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1sjs h ALA 315 Cb 0.62 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1sjs h ALA 315 CO -0.32 0.53 0.28 1.96 0.00 0.00 0.00 179.25 181.69 1sjs h GLN 316 N 0.96 0.74 -0.08 0.00 4.20 -0.95 -2.70 115.11 117.29 1sjs h GLN 316 Ca 0.22 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1sjs h GLN 316 Cb 0.26 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1sjs h GLN 316 CO -0.01 0.59 0.00 1.33 -0.67 0.00 0.00 178.83 180.07 1sjs n VAL 317 N -4.62 0.09 -1.96 -0.54 0.24 -0.94 -4.06 118.33 106.55 1sjs n VAL 317 Ca 0.02 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.34 61.92 1sjs n VAL 317 Cb 0.10 0.38 -0.02 0.00 -1.47 0.00 0.00 33.84 32.83 1sjs n VAL 317 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sjs n GLY 318 N 1.14 0.32 1.46 7.63 0.00 -0.66 -4.71 105.19 110.38 1sjs n GLY 318 Ca 0.18 -0.38 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 1sjs n GLY 318 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjs n GLY 319 N -1.15 4.43 0.24 -0.02 0.00 0.55 -4.67 105.19 104.57 1sjs n GLY 319 Ca -0.14 -1.12 -0.07 0.00 0.00 0.00 0.00 46.02 44.69 1sjs n GLY 319 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1sjs h ILE 320 N 1.47 1.17 0.00 -0.61 2.04 -1.92 -1.42 117.51 118.24 1sjs h ILE 320 Ca 0.26 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1sjs h ILE 320 Cb 1.97 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1sjs h ILE 320 CO 0.56 0.18 0.00 0.61 0.00 0.00 0.00 178.15 179.49 1sjs n GLY 321 N -1.13 -1.46 1.98 5.37 0.00 -1.26 -3.56 105.19 105.14 1sjs n GLY 321 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1sjs n GLY 321 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1sjs n ILE 322 N -2.09 1.97 -2.78 -0.61 -5.35 -0.87 -4.36 119.36 105.27 1sjs n ILE 322 Ca 0.04 -3.51 -0.42 0.00 -0.27 0.00 0.00 62.75 58.59 1sjs n ILE 322 Cb 0.32 -0.22 -0.03 0.00 -1.74 0.00 0.00 39.64 37.97 1sjs n ILE 322 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sjs s ALA 323 N -3.34 3.64 0.64 -1.28 0.00 -0.59 -4.13 121.76 116.70 1sjs s ALA 323 Ca 0.42 0.05 -0.08 0.00 0.00 0.00 0.00 51.96 52.35 1sjs s ALA 323 Cb 0.38 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 20.11 1sjs s ALA 323 CO -0.01 -0.93 0.98 -1.25 0.00 0.00 0.00 175.76 174.56 1sjs s PRO 324 N 2.86 2.82 -0.08 0.00 0.04 -1.26 -3.85 135.00 135.54 1sjs s PRO 324 Ca 0.40 0.14 -0.30 0.00 0.04 0.00 0.00 61.00 61.28 1sjs s PRO 324 Cb -0.15 -2.17 0.11 0.00 0.04 0.00 0.00 34.50 32.33 1sjs s PRO 324 CO 0.08 -0.88 0.97 0.20 0.04 0.00 0.00 177.00 177.41 1sjs s GLY 325 N -4.35 -0.38 -0.04 0.56 0.00 -1.24 -4.49 107.32 97.38 1sjs s GLY 325 Ca 0.56 1.39 -0.16 0.00 0.00 0.00 0.00 44.72 46.51 1sjs s GLY 325 CO 0.47 0.56 0.35 0.00 0.00 0.00 0.00 173.10 174.49 1sjs s ALA 326 N -2.44 -0.88 -0.23 3.20 0.00 -0.72 -1.77 121.76 118.91 1sjs s ALA 326 Ca 0.04 0.51 -0.01 0.00 0.00 0.00 0.00 51.96 52.50 1sjs s ALA 326 Cb -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.11 1sjs s ALA 326 CO -0.05 -0.26 -0.10 -0.80 0.00 0.00 0.00 175.76 174.55 1sjs s ASN 327 N -1.09 4.06 -0.04 0.00 0.01 -0.47 -0.46 114.94 116.95 1sjs s ASN 327 Ca -0.11 -0.82 0.07 0.00 -0.71 0.00 0.00 52.86 51.28 1sjs s ASN 327 Cb -0.04 -1.62 -0.02 0.00 0.41 0.00 0.00 41.25 39.98 1sjs s ASN 327 CO 0.04 -0.09 -0.24 -0.63 -1.51 0.00 0.00 177.10 174.67 1sjs s ILE 328 N 1.31 2.22 0.00 0.60 1.01 0.36 -0.69 121.20 126.02 1sjs s ILE 328 Ca 0.01 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.63 1sjs s ILE 328 Cb -0.16 -1.80 0.00 0.00 0.01 0.00 0.00 42.46 40.51 1sjs s ILE 328 CO -0.06 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.06 1sjs n GLY 329 N 2.61 7.13 0.12 6.18 0.00 -0.37 -1.29 105.19 119.57 1sjs n GLY 329 Ca -0.17 -1.91 -0.18 0.00 0.00 0.00 0.00 46.02 43.77 1sjs n GLY 329 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sjs h ASP 330 N 0.00 0.47 0.28 1.61 3.32 -1.85 -3.39 116.42 116.86 1sjs h ASP 330 Ca 0.00 -0.58 -0.11 0.00 0.02 0.00 0.00 57.03 56.36 1sjs h ASP 330 Cb 0.00 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1sjs h ASP 330 CO 0.00 1.47 -1.83 -1.84 -1.72 0.00 0.00 179.24 175.32 1sjs n GLU 331 N -3.52 0.65 -3.58 3.56 0.28 -1.26 -5.03 120.64 111.73 1sjs n GLU 331 Ca -0.14 -0.03 -0.11 0.00 -0.16 0.00 0.00 57.16 56.72 1sjs n GLU 331 Cb 1.05 -1.62 -0.03 0.00 1.43 0.00 0.00 31.44 32.26 1sjs n GLU 331 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sjs s ALA 333 N -3.81 1.39 -0.26 0.00 0.00 0.20 -1.24 121.76 118.05 1sjs s ALA 333 Ca 0.04 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.43 1sjs s ALA 333 Cb -0.00 -0.49 0.06 0.00 0.00 0.00 0.00 23.12 22.69 1sjs s ALA 333 CO -0.09 0.23 -0.11 -1.17 0.00 0.00 0.00 175.76 174.62 1sjs s LEU 334 N 0.14 3.38 0.08 0.00 2.96 0.14 -2.10 118.68 123.28 1sjs s LEU 334 Ca -0.05 -1.38 -0.19 0.00 -0.22 0.00 0.00 54.13 52.30 1sjs s LEU 334 Cb -0.12 -1.53 -0.07 0.00 0.50 0.00 0.00 46.19 44.98 1sjs s LEU 334 CO 0.02 -0.19 0.56 -0.36 -1.32 0.00 0.00 176.35 175.07 1sjs s PHE 335 N 1.12 3.78 0.14 5.38 0.40 0.06 -1.36 117.98 127.49 1sjs s PHE 335 Ca -0.09 1.24 -0.07 0.00 -0.60 0.00 0.00 56.93 57.42 1sjs s PHE 335 Cb -0.20 -2.48 -0.02 0.00 0.51 0.00 0.00 43.02 40.84 1sjs s PHE 335 CO -0.05 0.57 0.20 -1.83 0.70 0.00 0.00 175.22 174.81 1sjs s GLU 336 N -1.23 1.03 -0.21 0.44 -1.05 -0.73 -0.13 118.70 116.82 1sjs s GLU 336 Ca 0.30 -1.21 -0.21 0.00 -0.15 0.00 0.00 54.97 53.70 1sjs s GLU 336 Cb -0.19 0.33 -0.02 0.00 -0.44 0.00 0.00 34.13 33.81 1sjs s GLU 336 CO 0.19 -0.35 0.67 0.00 0.95 0.00 0.00 175.26 176.72 1sjs s ALA 337 N -3.97 3.57 -1.70 -0.84 0.00 -0.93 -3.68 121.76 114.20 1sjs s ALA 337 Ca 0.17 -0.27 0.27 0.00 0.00 0.00 0.00 51.96 52.13 1sjs s ALA 337 Cb 0.05 -3.04 1.50 0.00 0.00 0.00 0.00 23.12 21.63 1sjs s ALA 337 CO -0.02 -0.66 1.96 0.25 0.00 0.00 0.00 175.76 177.29 1sjs n THR 338 N 4.87 0.07 -2.54 0.00 -2.24 -1.25 -4.53 114.28 108.67 1sjs n THR 338 Ca 0.00 0.02 -0.24 0.00 -2.27 0.00 0.00 64.05 61.55 1sjs n THR 338 Cb 0.49 -0.58 0.13 0.00 -2.10 0.00 0.00 70.33 68.27 1sjs n THR 338 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1sjs s HIS 339 N -2.30 1.29 0.62 4.78 -3.43 -1.26 -5.06 115.29 109.94 1sjs s HIS 339 Ca 0.33 -0.31 -0.05 0.00 -0.80 0.00 0.00 55.06 54.23 1sjs s HIS 339 Cb 0.19 -3.13 0.13 0.00 -1.43 0.00 0.00 32.58 28.34 1sjs s HIS 339 CO 0.37 -1.96 0.85 0.41 -2.00 0.00 0.00 174.74 172.41 1sjs n GLY 340 N -3.00 -0.20 0.10 -1.38 0.00 -1.26 -4.66 105.19 94.79 1sjs n GLY 340 Ca 0.17 -1.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 1sjs n GLY 340 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1sjs h THR 341 N -0.98 1.57 -6.88 2.61 1.35 -1.84 -3.45 112.91 105.29 1sjs h THR 341 Ca -0.28 -3.00 -0.55 0.00 -0.55 0.00 0.00 66.41 62.03 1sjs h THR 341 Cb 0.90 2.72 -0.01 0.00 -1.73 0.00 0.00 68.15 70.03 1sjs h THR 341 CO 0.25 0.87 -1.05 0.00 -0.25 0.00 0.00 175.52 175.34 1sjs n ALA 342 N -2.44 -2.68 0.22 6.62 0.00 -1.26 -0.25 120.51 120.72 1sjs n ALA 342 Ca -0.04 -0.45 0.12 0.00 0.00 0.00 0.00 53.44 53.07 1sjs n ALA 342 Cb 0.91 -1.68 0.66 0.00 0.00 0.00 0.00 19.45 19.33 1sjs n ALA 342 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1sjs h PRO 343 N -1.55 0.00 -0.51 0.00 0.13 -1.94 -1.37 132.00 126.76 1sjs h PRO 343 Ca -0.68 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.34 1sjs h PRO 343 Cb 1.38 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.50 1sjs h PRO 343 CO 0.44 0.00 -0.14 0.87 -0.23 0.00 0.00 178.00 178.94 1sjs h LYS 344 N 0.00 0.98 -0.12 0.86 6.56 -2.00 -3.04 116.57 119.81 1sjs h LYS 344 Ca 0.00 -0.37 0.00 0.00 -1.06 0.00 0.00 60.65 59.22 1sjs h LYS 344 Cb 0.30 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1sjs h LYS 344 CO 0.00 1.04 0.00 0.66 -2.06 0.00 0.00 179.45 179.09 1sjs n TYR 345 N -4.13 0.14 -1.67 -1.35 4.01 -0.53 -4.92 117.16 108.70 1sjs n TYR 345 Ca 0.01 -0.07 -0.47 0.00 -0.16 0.00 0.00 57.90 57.21 1sjs n TYR 345 Cb 0.41 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.40 1sjs n TYR 345 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sjs n ALA 346 N 1.08 1.11 0.00 -0.72 0.00 -1.14 -1.19 120.51 119.64 1sjs n ALA 346 Ca 0.16 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1sjs n ALA 346 Cb 0.53 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1sjs n ALA 346 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sjs n GLY 347 N 3.81 3.13 0.00 0.00 0.00 -1.26 -4.87 105.19 106.00 1sjs n GLY 347 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 1sjs n GLY 347 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sjs n GLN 348 N -2.00 0.06 -3.83 1.61 6.02 -0.34 -4.88 117.38 114.02 1sjs n GLN 348 Ca 0.00 0.18 -0.28 0.00 -0.01 0.00 0.00 57.00 56.88 1sjs n GLN 348 Cb 0.00 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 29.80 1sjs n GLN 348 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1sjs n ASP 349 N -1.45 -4.96 -0.10 1.08 2.03 -1.26 -4.90 116.55 106.98 1sjs n ASP 349 Ca 0.05 -0.73 -0.19 0.00 0.52 0.00 0.00 54.79 54.44 1sjs n ASP 349 Cb 0.19 -4.16 -0.08 0.00 -0.72 0.00 0.00 41.12 36.36 1sjs n ASP 349 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1sjs n LYS 350 N -4.74 0.43 -0.69 -0.67 4.81 -1.26 -0.65 118.16 115.40 1sjs n LYS 350 Ca 0.02 0.17 -0.31 0.00 -0.87 0.00 0.00 58.31 57.31 1sjs n LYS 350 Cb 0.54 -1.25 0.17 0.00 0.02 0.00 0.00 35.03 34.51 1sjs n LYS 350 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1sjs n VAL 351 N -3.68 0.00 -2.73 3.15 0.24 -1.26 -4.09 118.33 109.96 1sjs n VAL 351 Ca -0.38 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.34 61.32 1sjs n VAL 351 Cb 0.80 -0.81 -0.03 0.00 -1.47 0.00 0.00 33.84 32.33 1sjs n VAL 351 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1sjs s ASN 352 N -2.27 7.08 0.00 -1.34 3.84 -1.26 -4.18 114.94 116.81 1sjs s ASN 352 Ca 0.62 1.34 0.16 0.00 0.21 0.00 0.00 52.86 55.20 1sjs s ASN 352 Cb -0.21 -2.52 0.72 0.00 -0.55 0.00 0.00 41.25 38.69 1sjs s ASN 352 CO 0.64 -0.55 1.50 -0.81 -2.79 0.00 0.00 177.10 175.08 1sjs n PRO 353 N 5.78 1.43 0.00 0.43 -0.04 -1.26 -4.48 135.00 136.87 1sjs n PRO 353 Ca 0.09 -0.66 -0.11 0.00 -0.04 0.00 0.00 63.50 62.79 1sjs n PRO 353 Cb 0.47 -1.30 -0.04 0.00 -0.04 0.00 0.00 33.50 32.59 1sjs n PRO 353 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1sjs h GLY 354 N 5.28 -0.42 -0.20 0.55 0.00 -1.92 -1.91 103.07 104.45 1sjs h GLY 354 Ca 0.00 0.38 0.03 0.00 0.00 0.00 0.00 47.33 47.74 1sjs h GLY 354 CO 0.00 -0.22 -0.49 0.23 0.00 0.00 0.00 176.54 176.06 1sjs h SER 355 N -0.39 -1.58 0.20 0.19 0.87 -1.76 -0.17 113.55 110.90 1sjs h SER 355 Ca 0.09 0.19 -0.07 0.00 -1.23 0.00 0.00 61.79 60.78 1sjs h SER 355 Cb 0.54 0.63 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 1sjs h SER 355 CO -0.34 -0.41 -0.28 -0.29 -0.53 0.00 0.00 176.83 174.98 1sjs h ILE 356 N -0.46 1.23 -0.35 2.23 2.10 -1.82 -0.37 117.51 120.07 1sjs h ILE 356 Ca 0.04 -1.09 -0.08 0.00 1.08 0.00 0.00 64.86 64.81 1sjs h ILE 356 Cb 0.58 1.48 -0.01 0.00 -1.09 0.00 0.00 36.82 37.78 1sjs h ILE 356 CO -0.44 0.32 -0.11 0.40 -1.08 0.00 0.00 178.15 177.25 1sjs h ILE 357 N 0.12 1.28 0.00 2.19 2.04 -0.99 -0.90 117.51 121.25 1sjs h ILE 357 Ca 0.02 -1.19 -0.11 0.00 1.00 0.00 0.00 64.86 64.58 1sjs h ILE 357 Cb 0.56 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1sjs h ILE 357 CO 0.04 0.39 -0.52 -0.07 0.00 0.00 0.00 178.15 177.99 1sjs h LEU 358 N 0.47 0.00 -1.19 1.44 3.38 -0.71 -1.65 115.31 117.06 1sjs h LEU 358 Ca 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1sjs h LEU 358 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1sjs h LEU 358 CO 0.04 0.52 -0.38 0.28 0.09 0.00 0.00 178.44 178.98 1sjs h SER 359 N 0.00 0.04 -0.09 -0.43 0.02 -0.79 -1.87 113.55 110.44 1sjs h SER 359 Ca -0.01 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.78 1sjs h SER 359 Cb 0.93 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 1sjs h SER 359 CO 0.07 0.42 -0.47 0.00 -1.14 0.00 0.00 176.83 175.71 1sjs h ALA 360 N 1.58 0.72 -0.20 3.77 0.00 -0.24 -1.58 119.26 123.30 1sjs h ALA 360 Ca 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1sjs h ALA 360 Cb 0.69 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1sjs h ALA 360 CO 0.05 0.67 -0.24 1.05 0.00 0.00 0.00 179.25 180.78 1sjs h GLU 361 N 0.51 0.36 -0.70 0.00 -0.00 -0.88 0.14 114.58 114.02 1sjs h GLU 361 Ca 0.03 -0.13 -0.06 0.00 -0.00 0.00 0.00 59.36 59.20 1sjs h GLU 361 Cb 1.01 -0.03 -0.03 0.00 -0.00 0.00 0.00 28.75 29.70 1sjs h GLU 361 CO 0.09 0.59 0.19 0.52 -0.00 0.00 0.00 179.01 180.40 1sjs h MET 362 N 0.33 1.10 -0.19 1.06 2.86 -0.96 -0.63 114.93 118.50 1sjs h MET 362 Ca 0.05 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 1sjs h MET 362 Cb 0.60 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1sjs h MET 362 CO 0.04 0.96 0.01 1.98 1.06 0.00 0.00 176.91 180.96 1sjs h MET 363 N 1.05 0.32 -0.83 1.72 1.85 -0.21 -0.47 114.93 118.36 1sjs h MET 363 Ca 0.22 -0.10 -0.02 0.00 -0.61 0.00 0.00 59.70 59.20 1sjs h MET 363 Cb 0.34 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.30 1sjs h MET 363 CO -0.00 0.51 0.45 -0.07 -0.40 0.00 0.00 176.91 177.40 1sjs h LEU 364 N 0.09 1.05 -0.77 3.39 3.38 -0.59 -0.63 115.31 121.24 1sjs h LEU 364 Ca 0.05 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1sjs h LEU 364 Cb 0.36 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1sjs h LEU 364 CO 0.01 0.85 0.11 -0.09 0.09 0.00 0.00 178.44 179.41 1sjs h ARG 365 N 1.16 1.04 0.00 1.13 2.43 -1.02 -0.29 114.38 118.84 1sjs h ARG 365 Ca 0.29 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1sjs h ARG 365 Cb 0.05 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1sjs h ARG 365 CO -0.05 0.95 -0.10 1.25 -1.51 0.00 0.00 179.97 180.52 1sjs h HIS 366 N 0.98 0.00 -0.01 2.20 2.76 -0.20 -1.07 115.15 119.82 1sjs h HIS 366 Ca 0.20 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1sjs h HIS 366 Cb 0.41 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.37 1sjs h HIS 366 CO 0.03 0.10 -0.24 -1.33 -1.30 0.00 0.00 177.93 175.18 1sjs n MET 367 N -3.51 0.95 0.00 5.26 2.81 -0.33 -4.93 117.12 117.36 1sjs n MET 367 Ca -0.02 -0.57 0.00 0.00 -1.81 0.00 0.00 57.70 55.30 1sjs n MET 367 Cb 0.24 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 1sjs n MET 367 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sjs n GLY 368 N 1.33 2.47 2.67 3.03 0.00 -0.40 -4.84 105.19 109.44 1sjs n GLY 368 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1sjs n GLY 368 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1sjs n TRP 369 N -2.00 2.36 0.15 1.61 7.02 -0.24 -4.64 117.44 121.70 1sjs n TRP 369 Ca 0.00 -2.52 0.01 0.00 -1.02 0.00 0.00 57.50 53.97 1sjs n TRP 369 Cb 0.00 -2.15 0.31 0.00 -2.42 0.00 0.00 31.31 27.05 1sjs n TRP 369 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 1sjs h THR 370 N 3.70 1.29 -0.23 -0.99 1.35 -1.85 -2.19 112.91 113.99 1sjs h THR 370 Ca 0.60 -1.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1sjs h THR 370 Cb 0.44 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 1sjs h THR 370 CO 1.77 0.40 0.15 -0.33 -0.25 0.00 0.00 175.52 177.27 1sjs h GLU 371 N 0.07 0.31 -0.44 4.72 3.07 -1.95 0.33 114.58 120.68 1sjs h GLU 371 Ca 0.00 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.78 1sjs h GLU 371 Cb 0.72 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.55 1sjs h GLU 371 CO 0.05 0.22 0.04 0.00 -1.40 0.00 0.00 179.01 177.92 1sjs h ALA 372 N 1.07 0.59 -0.89 3.43 0.00 -1.79 -2.62 119.26 119.05 1sjs h ALA 372 Ca 0.08 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1sjs h ALA 372 Cb -0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1sjs h ALA 372 CO -0.02 0.34 0.58 0.00 0.00 0.00 0.00 179.25 180.15 1sjs h ALA 373 N 0.92 1.16 -0.55 0.00 0.00 -0.98 -1.27 119.26 118.54 1sjs h ALA 373 Ca 0.13 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1sjs h ALA 373 Cb 0.43 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1sjs h ALA 373 CO 0.02 0.46 0.36 -0.44 0.00 0.00 0.00 179.25 179.65 1sjs h ASP 374 N 1.15 0.59 0.30 0.00 3.32 -0.01 -1.71 116.42 120.05 1sjs h ASP 374 Ca 0.35 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.28 1sjs h ASP 374 Cb -0.04 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1sjs h ASP 374 CO -0.10 0.41 -0.41 -0.07 -1.72 0.00 0.00 179.24 177.35 1sjs h LEU 375 N 0.69 0.16 -0.32 1.55 3.38 -0.89 -1.39 115.31 118.49 1sjs h LEU 375 Ca 0.21 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 1sjs h LEU 375 Cb 0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1sjs h LEU 375 CO -0.05 0.56 -0.37 0.40 0.09 0.00 0.00 178.44 179.07 1sjs h ILE 376 N 0.13 1.29 -0.11 1.22 2.04 -1.03 0.17 117.51 121.21 1sjs h ILE 376 Ca 0.01 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.32 1sjs h ILE 376 Cb 0.79 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1sjs h ILE 376 CO 0.06 0.51 0.03 0.58 0.00 0.00 0.00 178.15 179.32 1sjs h VAL 377 N 0.60 1.19 -0.22 1.67 2.07 -1.31 -0.76 116.25 119.48 1sjs h VAL 377 Ca 0.05 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.02 1sjs h VAL 377 Cb 0.96 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 1sjs h VAL 377 CO 0.09 0.17 0.04 0.50 0.02 0.00 0.00 177.57 178.38 1sjs h LYS 378 N -0.03 0.12 -0.16 1.57 3.64 -1.22 -1.04 116.57 119.45 1sjs h LYS 378 Ca 0.03 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1sjs h LYS 378 Cb 0.24 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1sjs h LYS 378 CO -0.00 0.08 0.10 0.78 -2.27 0.00 0.00 179.45 178.13 1sjs h GLY 379 N 0.12 0.23 0.41 5.01 0.00 -0.87 -1.18 103.07 106.79 1sjs h GLY 379 Ca 0.10 -0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.37 1sjs h GLY 379 CO -0.14 0.09 -0.25 -0.33 0.00 0.00 0.00 176.54 175.91 1sjs h MET 380 N 0.18 -0.36 -0.14 4.80 2.86 -0.86 0.21 114.93 121.62 1sjs h MET 380 Ca 0.06 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 1sjs h MET 380 Cb 0.03 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.72 1sjs h MET 380 CO -0.01 -0.24 -0.17 0.93 1.06 0.00 0.00 176.91 178.48 1sjs h GLU 381 N -0.38 -0.20 -0.18 1.72 5.08 -1.08 -1.00 114.58 118.54 1sjs h GLU 381 Ca 0.07 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1sjs h GLU 381 Cb 0.47 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1sjs h GLU 381 CO -0.23 -0.13 -0.06 0.78 -1.00 0.00 0.00 179.01 178.37 1sjs h GLY 382 N -0.20 0.12 0.93 -3.84 0.00 -0.86 0.22 103.07 99.43 1sjs h GLY 382 Ca 0.10 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.51 1sjs h GLY 382 CO -0.26 -0.08 0.23 0.00 0.00 0.00 0.00 176.54 176.43 1sjs h ALA 383 N 1.16 0.48 -0.44 3.60 0.00 -0.67 0.12 119.26 123.52 1sjs h ALA 383 Ca 0.09 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1sjs h ALA 383 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1sjs h ALA 383 CO -0.20 -0.10 -0.13 0.82 0.00 0.00 0.00 179.25 179.64 1sjs h ILE 384 N 0.47 1.27 0.00 0.00 2.04 -1.00 -2.70 117.51 117.59 1sjs h ILE 384 Ca 0.15 -1.26 -0.05 0.00 1.00 0.00 0.00 64.86 64.71 1sjs h ILE 384 Cb -0.01 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1sjs h ILE 384 CO -0.06 0.43 -0.22 -1.13 0.00 0.00 0.00 178.15 177.16 1sjs h ASN 385 N 0.69 0.00 0.39 1.72 -0.00 -0.22 -0.94 115.58 117.22 1sjs h ASN 385 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.41 1sjs h ASN 385 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.00 1sjs h ASN 385 CO 0.05 0.22 -0.04 0.00 -0.00 0.00 0.00 177.43 177.66 1sjs n ALA 386 N -2.38 2.62 -1.76 1.57 0.00 0.39 -4.90 120.51 116.04 1sjs n ALA 386 Ca -0.02 -0.20 -0.17 0.00 0.00 0.00 0.00 53.44 53.05 1sjs n ALA 386 Cb 0.31 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.27 1sjs n ALA 386 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sjs n LYS 387 N -1.10 -1.27 -3.32 0.00 5.02 -0.36 -4.84 118.16 112.30 1sjs n LYS 387 Ca 0.16 1.04 -0.46 0.00 -2.02 0.00 0.00 58.31 57.03 1sjs n LYS 387 Cb 0.23 -5.35 -0.01 0.00 -0.02 0.00 0.00 35.03 29.88 1sjs n LYS 387 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1sjs s THR 388 N -2.72 5.73 0.36 -0.18 -4.23 -1.04 -0.41 115.64 113.15 1sjs s THR 388 Ca 0.00 -2.81 0.03 0.00 -1.18 0.00 0.00 61.69 57.73 1sjs s THR 388 Cb 0.00 -4.54 -0.04 0.00 1.34 0.00 0.00 72.50 69.26 1sjs s THR 388 CO 0.00 -1.11 0.10 0.68 -0.54 0.00 0.00 174.62 173.75 1sjs s VAL 389 N -0.28 0.80 0.75 2.29 -7.23 -0.83 -4.58 120.40 111.31 1sjs s VAL 389 Ca 0.24 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.29 1sjs s VAL 389 Cb -0.10 -2.55 0.04 0.00 0.56 0.00 0.00 36.38 34.34 1sjs s VAL 389 CO -0.08 0.00 1.13 0.42 -0.31 0.00 0.00 175.10 176.26 1sjs s THR 390 N -3.32 2.84 0.27 5.32 -4.23 -1.26 -0.52 115.64 114.75 1sjs s THR 390 Ca 0.30 0.27 -0.08 0.00 -1.18 0.00 0.00 61.69 61.01 1sjs s THR 390 Cb 0.05 -3.26 0.40 0.00 1.34 0.00 0.00 72.50 71.03 1sjs s THR 390 CO 0.15 -0.36 1.58 0.10 -0.54 0.00 0.00 174.62 175.55 1sjs h TYR 391 N -0.84 -0.41 -0.86 3.99 -0.00 -1.79 0.96 116.97 118.02 1sjs h TYR 391 Ca -0.45 0.08 0.11 0.00 -0.00 0.00 0.00 58.73 58.46 1sjs h TYR 391 Cb 1.29 0.32 -0.08 0.00 -0.00 0.00 0.00 36.73 38.26 1sjs h TYR 391 CO 0.42 -0.39 0.50 0.38 -0.00 0.00 0.00 178.16 179.07 1sjs h ASP 392 N 0.01 0.71 0.16 0.10 2.03 -1.93 0.19 116.42 117.68 1sjs h ASP 392 Ca 0.45 0.05 -0.26 0.00 -0.73 0.00 0.00 57.03 56.55 1sjs h ASP 392 Cb 0.73 -0.08 0.02 0.00 -0.83 0.00 0.00 39.33 39.17 1sjs h ASP 392 CO -0.92 0.38 -1.20 -0.26 -1.03 0.00 0.00 179.24 176.22 1sjs h PHE 393 N 0.81 0.62 -0.57 4.15 -1.00 -1.64 -3.37 116.94 115.94 1sjs h PHE 393 Ca 0.43 -0.45 0.11 0.00 2.81 0.00 0.00 57.97 60.87 1sjs h PHE 393 Cb 0.43 -0.02 -0.09 0.00 3.61 0.00 0.00 35.95 39.87 1sjs h PHE 393 CO -0.05 1.46 0.01 1.49 -1.61 0.00 0.00 178.31 179.61 1sjs h GLU 394 N -0.22 0.12 0.00 1.51 4.22 -0.39 0.33 114.58 120.16 1sjs h GLU 394 Ca -0.23 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.20 1sjs h GLU 394 Cb 1.82 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.04 1sjs h GLU 394 CO 0.15 0.08 0.00 0.07 -2.18 0.00 0.00 179.01 177.13 1sjs h ARG 395 N 0.13 0.00 -0.02 1.92 0.11 -1.13 -0.93 114.38 114.45 1sjs h ARG 395 Ca 0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.37 1sjs h ARG 395 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 1sjs h ARG 395 CO -0.47 0.00 -0.02 1.28 0.10 0.00 0.00 179.97 180.85 1sjs n LEU 396 N -2.35 2.50 -4.16 0.08 4.77 0.06 -4.94 117.00 112.96 1sjs n LEU 396 Ca -0.00 -0.98 -0.30 0.00 -0.03 0.00 0.00 56.01 54.70 1sjs n LEU 396 Cb 0.12 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.04 1sjs n LEU 396 CO 0.15 0.44 -0.53 -0.04 -1.33 0.00 0.00 177.39 176.07 1sjs s MET 397 N -1.58 2.62 -0.14 3.23 -1.94 -0.35 -4.95 119.30 116.18 1sjs s MET 397 Ca 0.21 -0.73 -0.24 0.00 -1.71 0.00 0.00 55.69 53.22 1sjs s MET 397 Cb 0.15 -2.03 -0.02 0.00 2.01 0.00 0.00 34.83 34.94 1sjs s MET 397 CO 0.25 0.12 0.76 -0.51 -0.01 0.00 0.00 175.02 175.63 1sjs s ASP 398 N 0.47 6.92 0.00 3.03 1.01 -1.26 -3.61 116.67 123.23 1sjs s ASP 398 Ca -0.17 1.12 0.00 0.00 0.71 0.00 0.00 52.55 54.21 1sjs s ASP 398 Cb -0.17 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.33 1sjs s ASP 398 CO 0.07 -0.29 0.00 0.61 0.21 0.00 0.00 175.17 175.76 1sjs n GLY 399 N 3.42 0.72 3.81 0.21 0.00 -1.26 -5.06 105.19 107.03 1sjs n GLY 399 Ca 0.02 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1sjs n GLY 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjs s ALA 400 N -2.00 3.28 -0.21 4.61 0.00 -1.24 -4.98 121.76 121.22 1sjs s ALA 400 Ca 0.00 0.28 -0.14 0.00 0.00 0.00 0.00 51.96 52.10 1sjs s ALA 400 Cb 0.00 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 1sjs s ALA 400 CO 0.00 0.25 0.33 0.21 0.00 0.00 0.00 175.76 176.55 1sjs s LYS 401 N -2.35 4.15 -0.17 0.00 2.20 0.45 -5.01 119.74 119.02 1sjs s LYS 401 Ca 0.50 0.07 -0.29 0.00 -0.36 0.00 0.00 55.97 55.88 1sjs s LYS 401 Cb -0.15 -3.53 -0.00 0.00 -1.51 0.00 0.00 37.83 32.64 1sjs s LYS 401 CO 0.20 -0.00 1.03 -1.17 -0.36 0.00 0.00 175.35 175.05 1sjs s LEU 402 N 1.21 4.18 0.20 5.43 2.96 -1.26 -1.97 118.68 129.42 1sjs s LEU 402 Ca 0.16 1.47 0.11 0.00 -0.22 0.00 0.00 54.13 55.65 1sjs s LEU 402 Cb -0.14 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1sjs s LEU 402 CO 0.07 -0.56 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.54 1sjs s LEU 403 N 2.62 2.45 0.51 -0.68 1.43 0.33 -4.95 118.68 120.39 1sjs s LEU 403 Ca 0.47 -0.88 -0.06 0.00 -1.03 0.00 0.00 54.13 52.62 1sjs s LEU 403 Cb -0.17 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 1sjs s LEU 403 CO 0.12 0.10 0.84 -0.54 0.23 0.00 0.00 176.35 177.09 1sjs s LYS 404 N -2.77 3.50 0.24 1.70 1.02 -1.26 -4.09 119.74 118.08 1sjs s LYS 404 Ca 0.21 0.27 -0.10 0.00 0.02 0.00 0.00 55.97 56.37 1sjs s LYS 404 Cb -0.07 -2.32 0.35 0.00 -0.52 0.00 0.00 37.83 35.27 1sjs s LYS 404 CO 0.10 -0.31 1.60 0.00 -0.92 0.00 0.00 175.35 175.82 1sjs h SER 406 N 0.01 0.38 -0.19 0.00 4.64 -1.90 -2.46 113.55 114.02 1sjs h SER 406 Ca 0.39 -0.21 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 1sjs h SER 406 Cb 0.61 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1sjs h SER 406 CO -0.80 0.48 0.04 -0.33 -0.87 0.00 0.00 176.83 175.35 1sjs h GLU 407 N 0.25 0.41 -0.53 4.77 5.08 -1.45 -0.79 114.58 122.33 1sjs h GLU 407 Ca 0.08 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1sjs h GLU 407 Cb 0.24 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1sjs h GLU 407 CO -0.00 0.40 -0.01 0.35 -1.00 0.00 0.00 179.01 178.75 1sjs h PHE 408 N 0.40 0.97 -0.34 4.33 3.57 -0.28 0.12 116.94 125.71 1sjs h PHE 408 Ca 0.09 -0.15 0.03 0.00 3.53 0.00 0.00 57.97 61.47 1sjs h PHE 408 Cb 0.20 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1sjs h PHE 408 CO 0.01 0.88 0.15 0.78 -2.23 0.00 0.00 178.31 177.90 1sjs h GLY 409 N 0.99 0.45 1.42 2.40 0.00 -0.71 -0.54 103.07 107.08 1sjs h GLY 409 Ca 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1sjs h GLY 409 CO 0.03 0.07 0.15 -0.55 0.00 0.00 0.00 176.54 176.24 1sjs h ASP 410 N 0.32 0.68 -0.54 0.19 3.32 -0.82 -2.00 116.42 117.57 1sjs h ASP 410 Ca 0.15 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 1sjs h ASP 410 Cb 0.08 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1sjs h ASP 410 CO -0.12 0.65 0.08 0.00 -1.72 0.00 0.00 179.24 178.14 1sjs h ALA 411 N 1.44 1.04 -0.27 3.45 0.00 -0.11 0.01 119.26 124.83 1sjs h ALA 411 Ca 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1sjs h ALA 411 Cb 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1sjs h ALA 411 CO -0.01 0.61 0.11 0.82 0.00 0.00 0.00 179.25 180.78 1sjs h ILE 412 N 0.89 1.17 -0.77 0.00 2.04 -0.53 -2.35 117.51 117.96 1sjs h ILE 412 Ca 0.18 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.55 1sjs h ILE 412 Cb 0.41 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1sjs h ILE 412 CO 0.01 0.17 0.51 0.40 0.00 0.00 0.00 178.15 179.25 1sjs h ILE 413 N 0.29 1.16 0.00 -0.67 2.04 -0.97 -1.88 117.51 117.47 1sjs h ILE 413 Ca 0.09 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1sjs h ILE 413 Cb 0.17 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1sjs h ILE 413 CO -0.01 0.18 -0.09 -0.33 0.00 0.00 0.00 178.15 177.90 1sjs h GLU 414 N 1.00 0.00 -0.43 2.37 5.08 -0.50 -2.95 114.58 119.15 1sjs h GLU 414 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1sjs h GLU 414 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1sjs h GLU 414 CO -0.08 0.09 0.00 0.09 -1.00 0.00 0.00 179.01 178.12 1sjs n ASN 415 N -3.30 4.75 -0.13 1.42 3.02 -0.72 -5.09 115.26 115.21 1sjs n ASN 415 Ca -0.00 -2.91 0.15 0.00 -0.03 0.00 0.00 54.58 51.79 1sjs n ASN 415 Cb 0.30 -0.60 0.83 0.00 -0.61 0.00 0.00 39.78 39.71 1sjs n ASN 415 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87