#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ml3 n PRO 2 N 0.00 0.14 -2.64 0.03 -0.02 -1.26 -4.87 135.00 126.38 1ml3 n PRO 2 Ca 0.00 0.05 -0.43 0.00 -2.02 0.00 0.00 63.50 61.10 1ml3 n PRO 2 Cb 0.00 -1.10 -0.02 0.00 -0.02 0.00 0.00 33.50 32.36 1ml3 n PRO 2 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ml3 s ILE 3 N -1.33 4.57 -0.54 4.25 -1.09 -1.15 -4.88 121.20 121.03 1ml3 s ILE 3 Ca 0.62 1.86 -0.28 0.00 -2.23 0.00 0.00 60.65 60.61 1ml3 s ILE 3 Cb -0.76 -4.35 0.03 0.00 -1.58 0.00 0.00 42.46 35.80 1ml3 s ILE 3 CO 0.59 -0.33 1.16 -0.54 -1.23 0.00 0.00 174.94 174.59 1ml3 s LYS 4 N 3.45 3.59 0.22 2.79 1.02 -1.26 -1.29 119.74 128.26 1ml3 s LYS 4 Ca 0.45 0.35 0.09 0.00 0.02 0.00 0.00 55.97 56.88 1ml3 s LYS 4 Cb -0.14 -3.97 -0.04 0.00 -0.52 0.00 0.00 37.83 33.16 1ml3 s LYS 4 CO 0.11 -1.56 -0.02 0.08 -0.92 0.00 0.00 175.35 173.05 1ml3 s VAL 5 N 4.72 3.51 0.02 3.17 1.01 -0.71 -2.29 120.40 129.84 1ml3 s VAL 5 Ca 0.44 -1.68 0.01 0.00 0.00 0.00 0.00 61.98 60.75 1ml3 s VAL 5 Cb -0.07 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 1ml3 s VAL 5 CO 0.28 -0.23 -0.05 -0.83 0.00 0.00 0.00 175.10 174.27 1ml3 s GLY 6 N -3.26 0.32 -0.35 4.51 0.00 -0.08 -0.46 107.32 107.99 1ml3 s GLY 6 Ca 0.29 -0.48 0.03 0.00 0.00 0.00 0.00 44.72 44.56 1ml3 s GLY 6 CO 0.19 -0.50 0.07 -0.42 0.00 0.00 0.00 173.10 172.44 1ml3 s ILE 7 N -0.86 2.37 -0.10 0.90 1.01 -0.85 0.93 121.20 124.59 1ml3 s ILE 7 Ca -0.07 -2.37 -0.30 0.00 0.00 0.00 0.00 60.65 57.91 1ml3 s ILE 7 Cb -0.06 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 1ml3 s ILE 7 CO -0.00 -0.62 1.14 0.21 0.00 0.00 0.00 174.94 175.67 1ml3 s ASN 8 N 0.91 7.09 0.00 3.58 3.04 -0.68 -2.28 114.94 126.61 1ml3 s ASN 8 Ca 0.11 1.67 0.00 0.00 0.04 0.00 0.00 52.86 54.69 1ml3 s ASN 8 Cb -0.20 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 36.96 1ml3 s ASN 8 CO -0.07 -0.58 0.00 0.61 -3.04 0.00 0.00 177.10 174.01 1ml3 n GLY 9 N 3.32 -1.69 2.43 1.21 0.00 0.20 -2.31 105.19 108.35 1ml3 n GLY 9 Ca 0.11 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1ml3 n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ml3 n PHE 10 N -0.20 1.91 -0.27 1.61 7.35 -1.15 -4.29 117.46 122.42 1ml3 n PHE 10 Ca 0.00 -2.34 0.00 0.00 -0.76 0.00 0.00 57.45 54.35 1ml3 n PHE 10 Cb 0.00 -1.67 0.00 0.00 0.35 0.00 0.00 39.48 38.16 1ml3 n PHE 10 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ml3 n GLY 11 N 1.56 -0.15 0.35 7.13 0.00 -1.26 -4.59 105.19 108.23 1ml3 n GLY 11 Ca 0.56 -1.67 -0.16 0.00 0.00 0.00 0.00 46.02 44.75 1ml3 n GLY 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ml3 h ARG 12 N 0.00 -0.74 -0.94 1.61 2.43 -1.96 0.61 114.38 115.39 1ml3 h ARG 12 Ca 0.00 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.30 1ml3 h ARG 12 Cb 0.00 0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 29.65 1ml3 h ARG 12 CO 0.00 -0.49 0.61 0.82 -1.51 0.00 0.00 179.97 179.40 1ml3 h ILE 13 N -0.77 1.03 -0.64 1.20 1.08 -1.92 0.17 117.51 117.65 1ml3 h ILE 13 Ca -0.06 -0.35 -0.03 0.00 -0.39 0.00 0.00 64.86 64.04 1ml3 h ILE 13 Cb 0.63 -0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 1ml3 h ILE 13 CO 0.05 0.19 0.30 1.23 -0.69 0.00 0.00 178.15 179.23 1ml3 h GLY 14 N 1.03 0.98 0.72 5.37 0.00 -1.63 -1.10 103.07 108.44 1ml3 h GLY 14 Ca 0.42 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 1ml3 h GLY 14 CO -0.18 0.45 -0.16 3.21 0.00 0.00 0.00 176.54 179.86 1ml3 h ARG 15 N 0.91 0.33 -0.96 4.80 3.08 0.12 -2.73 114.38 119.93 1ml3 h ARG 15 Ca 0.22 -0.19 0.06 0.00 0.07 0.00 0.00 59.98 60.14 1ml3 h ARG 15 Cb 0.11 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.11 1ml3 h ARG 15 CO -0.03 0.76 0.62 0.52 -1.07 0.00 0.00 179.97 180.77 1ml3 h MET 16 N -0.07 1.09 -0.53 0.04 2.86 -0.54 0.17 114.93 117.96 1ml3 h MET 16 Ca 0.02 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1ml3 h MET 16 Cb 0.72 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1ml3 h MET 16 CO 0.04 0.72 0.20 0.28 1.06 0.00 0.00 176.91 179.21 1ml3 h VAL 17 N 1.12 1.22 -0.29 -2.22 2.07 -1.18 0.17 116.25 117.14 1ml3 h VAL 17 Ca 0.41 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1ml3 h VAL 17 Cb 0.17 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1ml3 h VAL 17 CO -0.16 0.26 0.08 0.15 0.02 0.00 0.00 177.57 177.93 1ml3 h PHE 18 N 0.71 0.47 -0.78 1.57 3.04 -0.86 0.36 116.94 121.44 1ml3 h PHE 18 Ca 0.17 -0.05 -0.02 0.00 3.98 0.00 0.00 57.97 62.05 1ml3 h PHE 18 Cb 0.21 -0.13 -0.04 0.00 2.56 0.00 0.00 35.95 38.55 1ml3 h PHE 18 CO 0.01 0.50 0.40 1.96 -2.02 0.00 0.00 178.31 179.16 1ml3 h GLN 19 N 0.30 1.11 -0.56 1.11 4.20 -0.54 0.44 115.11 121.16 1ml3 h GLN 19 Ca 0.09 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 1ml3 h GLN 19 Cb 0.26 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1ml3 h GLN 19 CO -0.00 0.83 0.10 0.00 -0.67 0.00 0.00 178.83 179.09 1ml3 h ALA 20 N 1.34 0.74 -0.95 3.87 0.00 -0.71 0.49 119.26 124.03 1ml3 h ALA 20 Ca 0.27 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ml3 h ALA 20 Cb 0.07 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1ml3 h ALA 20 CO -0.04 0.47 0.63 1.25 0.00 0.00 0.00 179.25 181.56 1ml3 h LEU 21 N 0.81 1.07 -0.10 0.00 6.46 -0.10 -1.37 115.31 122.08 1ml3 h LEU 21 Ca 0.17 -0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.80 1ml3 h LEU 21 Cb 0.39 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1ml3 h LEU 21 CO 0.01 0.76 -0.35 0.00 -0.62 0.00 0.00 178.44 178.23 1ml3 h GLU 23 N -0.02 0.38 -0.05 0.00 4.81 0.47 1.04 114.58 121.22 1ml3 h GLU 23 Ca -0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1ml3 h GLU 23 Cb 0.98 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.28 1ml3 h GLU 23 CO 0.07 0.25 0.00 -0.25 -0.73 0.00 0.00 179.01 178.36 1ml3 n ASP 24 N -4.48 0.48 -3.68 1.04 8.00 -0.56 -4.90 116.55 112.44 1ml3 n ASP 24 Ca 0.16 -1.53 -0.23 0.00 0.71 0.00 0.00 54.79 53.89 1ml3 n ASP 24 Cb 0.59 -0.03 0.05 0.00 -0.02 0.00 0.00 41.12 41.71 1ml3 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ml3 n GLY 25 N 0.87 -0.41 0.00 0.44 0.00 0.36 -4.90 105.19 101.56 1ml3 n GLY 25 Ca 0.14 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.41 1ml3 n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ml3 n LEU 26 N -4.51 0.39 -4.66 0.99 4.77 -0.94 -4.80 117.00 108.24 1ml3 n LEU 26 Ca -0.14 -0.25 -0.45 0.00 -0.03 0.00 0.00 56.01 55.14 1ml3 n LEU 26 Cb 0.61 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.66 1ml3 n LEU 26 CO 0.68 0.10 1.59 -0.11 -1.33 0.00 0.00 177.39 178.32 1ml3 n LEU 27 N -1.73 3.79 0.00 2.23 7.94 -1.25 -1.31 117.00 126.66 1ml3 n LEU 27 Ca 0.00 0.86 0.00 0.00 -1.11 0.00 0.00 56.01 55.77 1ml3 n LEU 27 Cb 0.34 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 42.83 1ml3 n LEU 27 CO 0.34 0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.25 1ml3 n GLY 28 N 4.64 2.12 0.03 -3.96 0.00 0.19 -4.77 105.19 103.44 1ml3 n GLY 28 Ca 0.22 -0.38 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 1ml3 n GLY 28 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ml3 h THR 29 N 0.00 0.00 0.00 2.61 1.35 -1.87 -3.41 112.91 111.58 1ml3 h THR 29 Ca 0.00 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1ml3 h THR 29 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1ml3 h THR 29 CO 0.00 0.00 -0.78 -0.62 -0.25 0.00 0.00 175.52 173.87 1ml3 n GLU 30 N -3.50 0.16 -3.63 4.72 1.02 -0.95 -4.24 120.64 114.22 1ml3 n GLU 30 Ca -0.01 0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1ml3 n GLU 30 Cb 0.03 -1.57 -0.07 0.00 -0.02 0.00 0.00 31.44 29.82 1ml3 n GLU 30 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ml3 s ILE 31 N -3.10 0.00 -0.08 -3.67 1.01 -0.43 -2.93 121.20 112.00 1ml3 s ILE 31 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.71 1ml3 s ILE 31 Cb 0.15 -1.00 0.03 0.00 0.01 0.00 0.00 42.46 41.65 1ml3 s ILE 31 CO 0.76 0.00 -0.03 1.51 0.00 0.00 0.00 174.94 177.18 1ml3 s ASP 32 N 0.34 1.68 -0.79 3.58 -4.77 -0.41 0.52 116.67 116.82 1ml3 s ASP 32 Ca 0.01 -0.17 -0.26 0.00 -3.30 0.00 0.00 52.55 48.83 1ml3 s ASP 32 Cb -0.05 -0.58 0.02 0.00 -1.09 0.00 0.00 42.92 41.21 1ml3 s ASP 32 CO -0.01 -0.14 1.51 -0.69 0.70 0.00 0.00 175.17 176.54 1ml3 s VAL 33 N 1.68 3.66 0.14 2.11 1.01 -1.26 -1.73 120.40 126.01 1ml3 s VAL 33 Ca 0.02 0.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.85 1ml3 s VAL 33 Cb -0.13 -4.65 0.02 0.00 0.00 0.00 0.00 36.38 31.62 1ml3 s VAL 33 CO -0.05 -1.59 1.69 0.58 0.00 0.00 0.00 175.10 175.74 1ml3 h VAL 34 N 6.50 0.73 -3.10 2.92 2.07 -1.06 -3.41 116.25 120.91 1ml3 h VAL 34 Ca -0.13 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1ml3 h VAL 34 Cb 1.06 0.71 -0.11 0.00 -1.52 0.00 0.00 31.29 31.43 1ml3 h VAL 34 CO 1.29 0.00 0.14 0.00 0.02 0.00 0.00 177.57 179.03 1ml3 s ALA 35 N -6.21 -1.37 -0.35 1.67 0.00 -1.25 -2.04 121.76 112.20 1ml3 s ALA 35 Ca -0.14 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.07 1ml3 s ALA 35 Cb 0.12 0.85 0.11 0.00 0.00 0.00 0.00 23.12 24.20 1ml3 s ALA 35 CO 0.69 -0.78 0.13 0.14 0.00 0.00 0.00 175.76 175.95 1ml3 s VAL 36 N -3.79 1.26 0.20 0.00 -7.23 0.19 -2.01 120.40 109.01 1ml3 s VAL 36 Ca 0.03 -1.90 -0.30 0.00 -1.81 0.00 0.00 61.98 58.00 1ml3 s VAL 36 Cb -0.01 -1.92 -0.08 0.00 0.56 0.00 0.00 36.38 34.93 1ml3 s VAL 36 CO -0.10 -0.73 1.10 0.54 -0.31 0.00 0.00 175.10 175.60 1ml3 s VAL 37 N 1.12 3.79 0.19 1.32 0.11 -0.97 -3.67 120.40 122.28 1ml3 s VAL 37 Ca 0.12 1.59 -0.21 0.00 -2.93 0.00 0.00 61.98 60.56 1ml3 s VAL 37 Cb -0.20 -4.02 0.05 0.00 -1.53 0.00 0.00 36.38 30.69 1ml3 s VAL 37 CO -0.15 0.30 0.59 -0.62 -3.33 0.00 0.00 175.10 171.89 1ml3 s ASP 38 N -0.27 -0.41 0.53 3.54 -1.08 -1.00 0.61 116.67 118.59 1ml3 s ASP 38 Ca 0.48 -0.25 0.20 0.00 -0.52 0.00 0.00 52.55 52.46 1ml3 s ASP 38 Cb -0.30 0.61 1.40 0.00 -1.46 0.00 0.00 42.92 43.17 1ml3 s ASP 38 CO 0.36 -1.05 2.16 0.24 0.52 0.00 0.00 175.17 177.40 1ml3 h MET 39 N 2.08 0.00 -6.00 4.34 2.86 -1.95 -2.97 114.93 113.29 1ml3 h MET 39 Ca -0.30 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 56.71 1ml3 h MET 39 Cb 1.28 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.88 1ml3 h MET 39 CO 0.36 0.03 -0.54 -0.80 1.06 0.00 0.00 176.91 177.02 1ml3 s ASN 40 N -6.75 6.00 -0.00 1.22 -0.87 -1.26 -4.79 114.94 108.48 1ml3 s ASN 40 Ca -0.05 0.17 0.08 0.00 -1.57 0.00 0.00 52.86 51.49 1ml3 s ASN 40 Cb 0.16 -1.76 -0.10 0.00 -0.02 0.00 0.00 41.25 39.53 1ml3 s ASN 40 CO 0.63 0.19 0.26 0.35 -2.57 0.00 0.00 177.10 175.96 1ml3 n THR 41 N 0.53 0.00 -1.54 1.60 -2.24 -1.26 -4.93 114.28 106.44 1ml3 n THR 41 Ca -0.08 -0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.30 1ml3 n THR 41 Cb 0.52 0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 69.33 1ml3 n THR 41 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ml3 n ASP 42 N -1.45 1.12 -0.36 3.42 -0.08 -1.26 -4.74 116.55 113.19 1ml3 n ASP 42 Ca 0.00 -1.39 0.01 0.00 -1.51 0.00 0.00 54.79 51.90 1ml3 n ASP 42 Cb 0.16 -1.45 0.16 0.00 2.34 0.00 0.00 41.12 42.33 1ml3 n ASP 42 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ml3 h ALA 43 N 12.26 1.37 -0.85 -1.67 0.00 -1.92 -1.94 119.26 126.52 1ml3 h ALA 43 Ca 0.01 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1ml3 h ALA 43 Cb 1.02 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 1ml3 h ALA 43 CO 1.12 0.52 0.50 0.93 0.00 0.00 0.00 179.25 182.32 1ml3 h GLU 44 N 1.23 0.82 -0.67 0.00 3.07 -1.86 0.19 114.58 117.36 1ml3 h GLU 44 Ca 0.40 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 59.14 1ml3 h GLU 44 Cb 0.03 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 27.73 1ml3 h GLU 44 CO -0.13 0.54 0.17 -0.92 -1.40 0.00 0.00 179.01 177.27 1ml3 h TYR 45 N 0.84 1.11 -0.66 4.33 3.20 -1.76 -1.33 116.97 122.71 1ml3 h TYR 45 Ca 0.40 -0.13 0.04 0.00 3.14 0.00 0.00 58.73 62.19 1ml3 h TYR 45 Cb 0.35 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 1ml3 h TYR 45 CO -0.05 0.91 0.39 0.74 -1.64 0.00 0.00 178.16 178.51 1ml3 h PHE 46 N 0.99 0.72 -0.22 -3.82 -1.00 -0.39 -0.66 116.94 112.55 1ml3 h PHE 46 Ca 0.21 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.97 1ml3 h PHE 46 Cb 0.35 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1ml3 h PHE 46 CO 0.03 0.38 -0.06 0.00 -1.61 0.00 0.00 178.31 177.04 1ml3 h ALA 47 N 1.32 1.48 -0.09 2.45 0.00 -0.20 -2.12 119.26 122.11 1ml3 h ALA 47 Ca 0.28 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1ml3 h ALA 47 Cb 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ml3 h ALA 47 CO -0.15 0.37 -0.10 -0.92 0.00 0.00 0.00 179.25 178.45 1ml3 h TYR 48 N 0.33 0.27 -0.18 0.00 3.20 -0.07 -1.64 116.97 118.88 1ml3 h TYR 48 Ca 0.07 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 1ml3 h TYR 48 Cb 0.33 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1ml3 h TYR 48 CO 0.01 0.68 -0.16 1.96 -1.64 0.00 0.00 178.16 179.01 1ml3 h GLN 49 N -0.21 0.30 -0.05 1.82 4.20 -1.05 -2.44 115.11 117.67 1ml3 h GLN 49 Ca 0.01 -0.08 -0.21 0.00 0.06 0.00 0.00 58.65 58.44 1ml3 h GLN 49 Cb 0.64 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 1ml3 h GLN 49 CO 0.02 0.46 -0.82 1.98 -0.67 0.00 0.00 178.83 179.80 1ml3 h MET 50 N 0.28 0.45 -0.29 1.46 4.05 -1.40 -3.30 114.93 116.18 1ml3 h MET 50 Ca 0.05 -0.41 -0.13 0.00 -0.28 0.00 0.00 59.70 58.93 1ml3 h MET 50 Cb 0.45 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 1ml3 h MET 50 CO 0.03 1.06 -0.35 -0.09 0.23 0.00 0.00 176.91 177.78 1ml3 h ARG 51 N 0.28 0.64 -5.98 0.39 2.43 -0.90 -3.38 114.38 107.87 1ml3 h ARG 51 Ca -0.05 -0.31 -0.56 0.00 -0.81 0.00 0.00 59.98 58.25 1ml3 h ARG 51 Cb 1.43 -0.01 -0.25 0.00 -0.42 0.00 0.00 29.97 30.72 1ml3 h ARG 51 CO 0.14 0.90 -0.83 0.71 -1.51 0.00 0.00 179.97 179.38 1ml3 s TYR 52 N -4.36 1.72 -0.12 2.20 2.02 -0.96 -2.25 117.35 115.61 1ml3 s TYR 52 Ca -0.08 -0.38 -0.05 0.00 -0.37 0.00 0.00 57.07 56.19 1ml3 s TYR 52 Cb 0.12 -1.02 0.06 0.00 -0.40 0.00 0.00 41.96 40.72 1ml3 s TYR 52 CO 0.83 0.09 0.25 0.34 -1.57 0.00 0.00 175.55 175.49 1ml3 s ASP 53 N -1.24 0.07 0.60 2.29 -1.08 -1.22 -4.72 116.67 111.38 1ml3 s ASP 53 Ca 0.06 0.55 0.36 0.00 -0.52 0.00 0.00 52.55 53.01 1ml3 s ASP 53 Cb -0.09 0.55 1.93 0.00 -1.46 0.00 0.00 42.92 43.84 1ml3 s ASP 53 CO 0.02 -0.20 2.23 0.71 0.52 0.00 0.00 175.17 178.44 1ml3 h THR 54 N 6.09 0.25 0.00 1.71 1.35 -1.97 -3.01 112.91 117.33 1ml3 h THR 54 Ca -0.27 -0.20 -0.12 0.00 -0.55 0.00 0.00 66.41 65.28 1ml3 h THR 54 Cb 1.13 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 1ml3 h THR 54 CO 0.25 0.03 -1.44 0.55 -0.25 0.00 0.00 175.52 174.66 1ml3 n VAL 55 N -3.38 0.44 0.81 6.82 3.14 -1.26 -4.73 118.33 120.17 1ml3 n VAL 55 Ca -0.02 -0.21 0.10 0.00 -2.96 0.00 0.00 64.34 61.24 1ml3 n VAL 55 Cb 0.15 -0.81 0.29 0.00 -1.06 0.00 0.00 33.84 32.40 1ml3 n VAL 55 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1ml3 n HIS 56 N -2.50 0.40 -1.76 1.45 8.25 -1.25 -4.95 115.22 114.86 1ml3 n HIS 56 Ca -0.12 -0.20 0.01 0.00 -0.26 0.00 0.00 57.72 57.15 1ml3 n HIS 56 Cb 0.67 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.78 1ml3 n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ml3 n GLY 57 N 1.25 -2.13 3.76 -1.41 0.00 -1.14 -4.88 105.19 100.64 1ml3 n GLY 57 Ca 0.17 -1.45 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 1ml3 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ml3 s LYS 58 N -0.68 4.72 0.16 1.61 1.02 -1.26 -3.38 119.74 121.92 1ml3 s LYS 58 Ca 0.00 1.66 -0.31 0.00 0.02 0.00 0.00 55.97 57.33 1ml3 s LYS 58 Cb 0.00 -3.21 -0.11 0.00 -0.52 0.00 0.00 37.83 34.00 1ml3 s LYS 58 CO 0.00 0.34 1.70 0.12 -0.92 0.00 0.00 175.35 176.59 1ml3 s PHE 59 N -1.19 2.69 -1.76 3.18 5.36 -0.95 -4.90 117.98 120.41 1ml3 s PHE 59 Ca 0.43 0.32 0.21 0.00 -0.96 0.00 0.00 56.93 56.93 1ml3 s PHE 59 Cb -0.29 -4.07 1.18 0.00 -0.34 0.00 0.00 43.02 39.50 1ml3 s PHE 59 CO 0.37 -4.17 1.66 1.63 -1.46 0.00 0.00 175.22 173.24 1ml3 n LYS 60 N 4.63 0.51 -5.08 10.12 5.02 -1.26 -4.73 118.16 127.37 1ml3 n LYS 60 Ca 0.16 0.04 -0.28 0.00 -2.02 0.00 0.00 58.31 56.21 1ml3 n LYS 60 Cb 0.37 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.73 1ml3 n LYS 60 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1ml3 s TYR 61 N -2.24 1.98 0.22 2.13 1.51 -1.26 -5.11 117.35 114.58 1ml3 s TYR 61 Ca 0.27 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.61 1ml3 s TYR 61 Cb 0.14 -1.28 -0.10 0.00 -0.11 0.00 0.00 41.96 40.61 1ml3 s TYR 61 CO 0.28 -0.06 1.42 -2.00 -1.11 0.00 0.00 175.55 174.08 1ml3 s GLU 62 N -0.44 4.29 -0.11 -0.62 2.12 -1.26 -4.83 118.70 117.85 1ml3 s GLU 62 Ca 0.06 2.24 0.02 0.00 0.36 0.00 0.00 54.97 57.65 1ml3 s GLU 62 Cb -0.09 -3.14 0.02 0.00 0.26 0.00 0.00 34.13 31.17 1ml3 s GLU 62 CO -0.00 -0.40 -0.15 0.08 -0.54 0.00 0.00 175.26 174.25 1ml3 s VAL 63 N 0.20 1.47 0.43 3.70 1.01 -1.26 -1.18 120.40 124.76 1ml3 s VAL 63 Ca 0.60 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.00 1ml3 s VAL 63 Cb -0.41 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1ml3 s VAL 63 CO 0.40 0.44 0.15 0.28 0.00 0.00 0.00 175.10 176.37 1ml3 s THR 64 N 1.02 0.49 0.04 3.92 -1.32 -0.57 -4.98 115.64 114.24 1ml3 s THR 64 Ca -0.06 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.43 1ml3 s THR 64 Cb -0.15 -2.27 -0.03 0.00 -1.51 0.00 0.00 72.50 68.54 1ml3 s THR 64 CO -0.02 0.00 -0.05 0.42 -2.21 0.00 0.00 174.62 172.76 1ml3 s THR 65 N -3.17 0.32 0.25 5.08 -4.23 -1.26 -0.73 115.64 111.90 1ml3 s THR 65 Ca 0.22 -1.20 -0.05 0.00 -1.18 0.00 0.00 61.69 59.48 1ml3 s THR 65 Cb 0.01 -0.71 0.02 0.00 1.34 0.00 0.00 72.50 73.17 1ml3 s THR 65 CO 0.15 -0.57 0.41 0.35 -0.54 0.00 0.00 174.62 174.42 1ml3 n THR 66 N 1.17 0.00 -3.99 3.99 -2.24 -0.70 -4.96 114.28 107.55 1ml3 n THR 66 Ca -0.21 -0.99 -0.32 0.00 -2.27 0.00 0.00 64.05 60.26 1ml3 n THR 66 Cb 0.56 0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 69.45 1ml3 n THR 66 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ml3 s LYS 67 N -2.35 3.24 0.35 -0.78 1.02 -1.26 -1.44 119.74 118.52 1ml3 s LYS 67 Ca 0.16 -0.45 0.13 0.00 0.02 0.00 0.00 55.97 55.83 1ml3 s LYS 67 Cb -0.02 -2.96 0.65 0.00 -0.52 0.00 0.00 37.83 34.98 1ml3 s LYS 67 CO 0.12 0.64 1.77 0.66 -0.92 0.00 0.00 175.35 177.62 1ml3 h SER 68 N 3.69 0.00 -3.17 2.83 4.64 -1.89 -3.44 113.55 116.20 1ml3 h SER 68 Ca -0.48 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.87 1ml3 h SER 68 Cb 1.18 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.04 1ml3 h SER 68 CO 0.68 0.43 0.19 -0.94 -0.87 0.00 0.00 176.83 176.31 1ml3 s SER 69 N -6.84 -0.73 0.57 4.97 1.04 -1.26 -5.04 113.70 106.41 1ml3 s SER 69 Ca -0.02 1.25 0.44 0.00 0.48 0.00 0.00 55.95 58.11 1ml3 s SER 69 Cb 0.14 1.29 1.55 0.00 0.10 0.00 0.00 66.02 69.10 1ml3 s SER 69 CO 0.73 -0.20 1.53 -0.65 0.98 0.00 0.00 173.24 175.62 1ml3 h PRO 70 N 5.90 0.00 -0.10 4.02 0.11 -2.00 1.00 132.00 140.94 1ml3 h PRO 70 Ca -0.29 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 1ml3 h PRO 70 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1ml3 h PRO 70 CO 0.13 0.00 -0.15 0.66 -0.21 0.00 0.00 178.00 178.43 1ml3 h SER 71 N 0.00 0.14 -3.15 -2.05 4.64 -1.99 -3.43 113.55 107.71 1ml3 h SER 71 Ca 0.82 -0.03 -0.53 0.00 -0.47 0.00 0.00 61.79 61.58 1ml3 h SER 71 Cb 3.50 -0.04 0.04 0.00 -0.31 0.00 0.00 62.40 65.59 1ml3 h SER 71 CO -0.01 0.31 0.75 -0.69 -0.87 0.00 0.00 176.83 176.32 1ml3 s VAL 72 N -4.68 2.97 0.00 0.95 1.01 0.35 -5.00 120.40 116.00 1ml3 s VAL 72 Ca -0.05 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1ml3 s VAL 72 Cb 0.15 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1ml3 s VAL 72 CO 0.72 0.09 0.00 0.00 0.00 0.00 0.00 175.10 175.91 1ml3 n ALA 73 N 3.21 0.00 -1.60 5.51 0.00 -1.26 -4.86 120.51 121.51 1ml3 n ALA 73 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.24 1ml3 n ALA 73 Cb 0.41 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.01 1ml3 n ALA 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ml3 s LYS 74 N 0.00 0.83 -0.01 0.00 -2.85 -1.26 -4.98 119.74 111.47 1ml3 s LYS 74 Ca 0.00 0.08 -0.30 0.00 -1.00 0.00 0.00 55.97 54.75 1ml3 s LYS 74 Cb 0.00 -1.82 -0.05 0.00 -2.06 0.00 0.00 37.83 33.89 1ml3 s LYS 74 CO 0.00 -2.37 1.44 -0.51 0.10 0.00 0.00 175.35 174.01 1ml3 s ASP 75 N -4.25 6.82 0.00 0.03 1.11 -1.26 -4.82 116.67 114.29 1ml3 s ASP 75 Ca 0.67 2.13 0.00 0.00 0.18 0.00 0.00 52.55 55.53 1ml3 s ASP 75 Cb -0.11 -2.56 0.01 0.00 1.07 0.00 0.00 42.92 41.33 1ml3 s ASP 75 CO 0.53 -0.75 0.97 -0.90 1.18 0.00 0.00 175.17 176.19 1ml3 n ASP 76 N 5.63 1.95 -4.12 0.27 5.75 -1.08 -3.59 116.55 121.36 1ml3 n ASP 76 Ca 0.14 -1.92 -0.26 0.00 -0.01 0.00 0.00 54.79 52.74 1ml3 n ASP 76 Cb 0.43 -0.01 -0.16 0.00 -1.03 0.00 0.00 41.12 40.36 1ml3 n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1ml3 s THR 77 N -0.92 1.39 -0.15 2.12 2.01 -0.52 -0.88 115.64 118.68 1ml3 s THR 77 Ca 0.01 -0.68 -0.08 0.00 0.31 0.00 0.00 61.69 61.24 1ml3 s THR 77 Cb 0.00 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 1ml3 s THR 77 CO 0.01 0.40 0.12 -0.76 -0.69 0.00 0.00 174.62 173.70 1ml3 s LEU 78 N 0.13 4.24 -0.36 4.42 2.01 0.11 -1.72 118.68 127.51 1ml3 s LEU 78 Ca -0.06 0.33 -0.00 0.00 0.01 0.00 0.00 54.13 54.41 1ml3 s LEU 78 Cb -0.12 -2.06 0.09 0.00 0.01 0.00 0.00 46.19 44.11 1ml3 s LEU 78 CO 0.03 0.30 0.10 -0.69 1.01 0.00 0.00 176.35 177.10 1ml3 s VAL 79 N -0.36 2.87 -0.32 -1.59 1.01 0.09 -0.52 120.40 121.58 1ml3 s VAL 79 Ca 0.11 -1.99 -0.10 0.00 0.00 0.00 0.00 61.98 60.00 1ml3 s VAL 79 Cb -0.12 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 1ml3 s VAL 79 CO 0.01 -0.52 0.17 -0.69 0.00 0.00 0.00 175.10 174.08 1ml3 s VAL 80 N 1.09 4.72 -0.79 2.92 1.01 -0.01 -1.52 120.40 127.83 1ml3 s VAL 80 Ca 0.05 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1ml3 s VAL 80 Cb -0.21 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1ml3 s VAL 80 CO -0.05 0.02 0.00 -3.20 0.00 0.00 0.00 175.10 171.88 1ml3 n ASN 81 N 5.01 -2.16 0.00 3.32 5.15 -0.32 -0.26 115.26 126.00 1ml3 n ASN 81 Ca -0.13 0.21 0.00 0.00 -0.60 0.00 0.00 54.58 54.06 1ml3 n ASN 81 Cb 0.49 -2.16 0.00 0.00 -0.53 0.00 0.00 39.78 37.58 1ml3 n ASN 81 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ml3 n GLY 82 N -0.24 3.24 3.77 8.20 0.00 -1.26 -5.05 105.19 113.85 1ml3 n GLY 82 Ca -0.08 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 1ml3 n GLY 82 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ml3 n HIS 83 N 0.00 2.89 -3.62 1.61 -0.00 0.64 -4.97 115.22 111.77 1ml3 n HIS 83 Ca 0.00 0.45 -0.36 0.00 -0.00 0.00 0.00 57.72 57.80 1ml3 n HIS 83 Cb 0.00 -2.51 -0.09 0.00 -0.00 0.00 0.00 29.99 27.39 1ml3 n HIS 83 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1ml3 s ARG 84 N -2.18 4.12 -0.12 1.57 0.52 -1.26 -0.83 118.95 120.77 1ml3 s ARG 84 Ca 0.55 -0.17 0.01 0.00 -0.52 0.00 0.00 55.73 55.60 1ml3 s ARG 84 Cb -0.47 -3.51 0.02 0.00 0.52 0.00 0.00 34.95 31.50 1ml3 s ARG 84 CO 0.62 0.09 -0.13 0.42 0.02 0.00 0.00 175.30 176.33 1ml3 s ILE 85 N 0.95 1.38 0.15 1.52 1.01 0.32 -4.74 121.20 121.79 1ml3 s ILE 85 Ca 0.10 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 60.01 1ml3 s ILE 85 Cb -0.13 -1.30 -0.08 0.00 0.01 0.00 0.00 42.46 40.96 1ml3 s ILE 85 CO 0.04 0.42 0.67 -0.22 0.00 0.00 0.00 174.94 175.85 1ml3 s LEU 86 N 1.32 4.46 -0.62 2.97 2.96 -0.87 0.08 118.68 129.00 1ml3 s LEU 86 Ca -0.00 1.38 -0.11 0.00 -0.22 0.00 0.00 54.13 55.19 1ml3 s LEU 86 Cb -0.14 -3.26 0.16 0.00 0.50 0.00 0.00 46.19 43.45 1ml3 s LEU 86 CO -0.06 0.16 0.51 0.00 -1.32 0.00 0.00 176.35 175.64 1ml3 s VAL 88 N 0.79 4.61 0.40 0.00 1.01 -1.24 -4.93 120.40 121.04 1ml3 s VAL 88 Ca 0.11 1.05 -0.23 0.00 0.00 0.00 0.00 61.98 62.91 1ml3 s VAL 88 Cb -0.21 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.32 1ml3 s VAL 88 CO -0.03 -0.73 0.98 -0.75 0.00 0.00 0.00 175.10 174.56 1ml3 s LYS 89 N -4.21 4.26 0.54 2.72 2.47 -1.26 -2.36 119.74 121.89 1ml3 s LYS 89 Ca 0.57 1.28 -0.18 0.00 -1.56 0.00 0.00 55.97 56.08 1ml3 s LYS 89 Cb -0.10 -2.40 -0.06 0.00 -1.46 0.00 0.00 37.83 33.81 1ml3 s LYS 89 CO 0.35 -0.02 1.05 0.00 0.16 0.00 0.00 175.35 176.89 1ml3 s ALA 90 N -1.91 2.81 0.32 3.13 0.00 -1.12 -4.71 121.76 120.29 1ml3 s ALA 90 Ca 0.59 0.48 0.10 0.00 0.00 0.00 0.00 51.96 53.12 1ml3 s ALA 90 Cb -0.15 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 1ml3 s ALA 90 CO 0.19 -0.57 -0.11 -0.65 0.00 0.00 0.00 175.76 174.62 1ml3 s GLN 91 N -3.71 1.76 0.28 0.00 -1.52 -1.26 -5.00 119.66 110.20 1ml3 s GLN 91 Ca 0.65 -1.88 0.18 0.00 -1.95 0.00 0.00 55.36 52.36 1ml3 s GLN 91 Cb -0.16 -1.66 0.10 0.00 -0.22 0.00 0.00 33.01 31.07 1ml3 s GLN 91 CO 0.29 0.17 1.35 -0.09 -0.25 0.00 0.00 175.29 176.76 1ml3 h ARG 92 N 2.11 0.00 -4.14 2.91 9.65 -1.98 -3.44 114.38 119.49 1ml3 h ARG 92 Ca -0.41 0.00 -0.41 0.00 -1.10 0.00 0.00 59.98 58.05 1ml3 h ARG 92 Cb 1.25 0.00 -0.33 0.00 -1.39 0.00 0.00 29.97 29.50 1ml3 h ARG 92 CO 0.68 0.28 -0.78 1.21 2.80 0.00 0.00 179.97 184.16 1ml3 s ASN 93 N -6.17 1.00 0.28 -3.80 3.84 -1.26 -5.04 114.94 103.78 1ml3 s ASN 93 Ca 0.03 -0.15 0.02 0.00 0.21 0.00 0.00 52.86 52.97 1ml3 s ASN 93 Cb 0.07 -0.45 0.64 0.00 -0.55 0.00 0.00 41.25 40.96 1ml3 s ASN 93 CO 0.74 -0.03 1.73 -0.65 -2.79 0.00 0.00 177.10 176.10 1ml3 h PRO 94 N 7.00 0.49 -0.87 0.43 0.11 -1.86 -0.02 132.00 137.30 1ml3 h PRO 94 Ca -0.37 -0.03 0.25 0.00 0.11 0.00 0.00 66.00 65.96 1ml3 h PRO 94 Cb 1.16 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1ml3 h PRO 94 CO 0.48 0.33 0.63 0.00 -0.21 0.00 0.00 178.00 179.22 1ml3 h ALA 95 N 1.64 2.82 0.00 -0.75 0.00 -1.70 0.61 119.26 121.88 1ml3 h ALA 95 Ca 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1ml3 h ALA 95 Cb 0.87 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1ml3 h ALA 95 CO -0.45 -1.08 0.00 -0.25 0.00 0.00 0.00 179.25 177.48 1ml3 n ASP 96 N -4.26 0.00 -4.78 0.00 9.92 -0.02 -4.12 116.55 113.29 1ml3 n ASP 96 Ca 0.18 0.13 -0.37 0.00 -0.53 0.00 0.00 54.79 54.20 1ml3 n ASP 96 Cb 0.94 -0.35 -0.05 0.00 -0.64 0.00 0.00 41.12 41.02 1ml3 n ASP 96 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1ml3 s LEU 97 N -2.70 4.24 0.00 0.64 2.01 0.21 -4.94 118.68 118.15 1ml3 s LEU 97 Ca 0.18 2.00 0.00 0.00 0.01 0.00 0.00 54.13 56.32 1ml3 s LEU 97 Cb 0.15 -4.08 0.00 0.00 0.01 0.00 0.00 46.19 42.27 1ml3 s LEU 97 CO 0.36 -0.32 0.57 -0.81 1.01 0.00 0.00 176.35 177.15 1ml3 n PRO 98 N 0.25 0.85 -0.21 1.29 -0.04 -1.26 -4.59 135.00 131.29 1ml3 n PRO 98 Ca 0.03 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.44 1ml3 n PRO 98 Cb 0.49 -1.28 -0.05 0.00 -0.04 0.00 0.00 33.50 32.62 1ml3 n PRO 98 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1ml3 n TRP 99 N -0.12 -0.22 -0.28 0.54 5.03 -1.25 0.26 117.44 121.40 1ml3 n TRP 99 Ca 0.00 0.61 0.00 0.00 3.03 0.00 0.00 57.50 61.14 1ml3 n TRP 99 Cb 0.14 -0.50 0.20 0.00 -1.03 0.00 0.00 31.31 30.12 1ml3 n TRP 99 CO 0.00 0.00 0.00 0.78 -0.03 0.00 0.00 177.69 178.44 1ml3 h GLY 100 N 0.00 1.21 1.00 6.99 0.00 -1.27 0.23 103.07 111.23 1ml3 h GLY 100 Ca 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1ml3 h GLY 100 CO -0.46 0.42 0.39 0.50 0.00 0.00 0.00 176.54 177.39 1ml3 h LYS 101 N 1.14 0.80 0.00 4.80 1.57 -0.43 -1.60 116.57 122.85 1ml3 h LYS 101 Ca 0.32 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1ml3 h LYS 101 Cb -0.10 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.04 1ml3 h LYS 101 CO -0.08 0.54 0.00 -0.07 -0.57 0.00 0.00 179.45 179.27 1ml3 h LEU 102 N 0.82 0.00 0.00 2.94 4.07 -0.05 -3.46 115.31 119.62 1ml3 h LEU 102 Ca 0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1ml3 h LEU 102 Cb -0.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.66 1ml3 h LEU 102 CO -0.05 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.92 1ml3 n GLY 103 N 0.73 0.47 3.52 0.83 0.00 0.28 -5.00 105.19 106.02 1ml3 n GLY 103 Ca 0.04 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 1ml3 n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ml3 s VAL 104 N -2.00 4.41 -0.10 1.61 1.01 0.55 -4.68 120.40 121.19 1ml3 s VAL 104 Ca 0.00 0.27 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 1ml3 s VAL 104 Cb 0.00 -4.52 -0.27 0.00 0.00 0.00 0.00 36.38 31.59 1ml3 s VAL 104 CO 0.00 -1.09 0.56 1.05 0.00 0.00 0.00 175.10 175.63 1ml3 h GLU 105 N 9.29 0.23 -4.66 2.72 4.11 -1.76 -3.27 114.58 121.24 1ml3 h GLU 105 Ca -0.26 -0.40 -0.69 0.00 0.07 0.00 0.00 59.36 58.08 1ml3 h GLU 105 Cb 1.07 0.15 -0.23 0.00 0.50 0.00 0.00 28.75 30.24 1ml3 h GLU 105 CO 1.08 1.19 -0.53 0.71 0.07 0.00 0.00 179.01 181.53 1ml3 s TYR 106 N -2.47 3.22 -0.15 2.06 1.51 -1.11 -0.69 117.35 119.73 1ml3 s TYR 106 Ca -0.20 -0.79 -0.06 0.00 -1.01 0.00 0.00 57.07 55.02 1ml3 s TYR 106 Cb 0.04 -2.41 -0.04 0.00 -0.11 0.00 0.00 41.96 39.44 1ml3 s TYR 106 CO 0.76 -0.57 0.05 0.54 -1.11 0.00 0.00 175.55 175.22 1ml3 s VAL 107 N 1.58 4.66 -0.56 0.71 0.11 -0.87 -0.90 120.40 125.13 1ml3 s VAL 107 Ca 0.03 -0.09 -0.20 0.00 -2.93 0.00 0.00 61.98 58.79 1ml3 s VAL 107 Cb -0.18 -3.05 0.07 0.00 -1.53 0.00 0.00 36.38 31.68 1ml3 s VAL 107 CO 0.07 0.52 0.74 -0.63 -3.33 0.00 0.00 175.10 172.47 1ml3 s ILE 108 N -0.07 4.71 -0.71 7.04 -1.09 0.26 -2.31 121.20 129.04 1ml3 s ILE 108 Ca 0.06 -0.52 -0.27 0.00 -2.23 0.00 0.00 60.65 57.68 1ml3 s ILE 108 Cb -0.12 -4.45 0.03 0.00 -1.58 0.00 0.00 42.46 36.34 1ml3 s ILE 108 CO 0.01 -1.05 1.26 -0.70 -1.23 0.00 0.00 174.94 173.23 1ml3 s GLU 109 N 3.05 3.25 -0.03 2.79 2.56 0.01 -1.68 118.70 128.64 1ml3 s GLU 109 Ca 0.17 -0.16 0.05 0.00 0.00 0.00 0.00 54.97 55.03 1ml3 s GLU 109 Cb -0.19 -4.15 0.07 0.00 2.00 0.00 0.00 34.13 31.86 1ml3 s GLU 109 CO 0.11 -2.05 0.91 -1.13 -0.56 0.00 0.00 175.26 172.54 1ml3 n SER 110 N 9.16 1.00 0.25 -1.70 3.41 -0.98 -1.24 113.62 123.53 1ml3 n SER 110 Ca 0.04 -2.01 0.17 0.00 -0.26 0.00 0.00 58.87 56.81 1ml3 n SER 110 Cb 0.49 -0.16 0.76 0.00 -0.26 0.00 0.00 64.21 65.04 1ml3 n SER 110 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1ml3 h THR 111 N 2.77 0.00 0.00 6.66 1.35 -1.75 -3.45 112.91 118.49 1ml3 h THR 111 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1ml3 h THR 111 Cb 1.01 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1ml3 h THR 111 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1ml3 n GLY 112 N -0.32 1.62 0.00 5.82 0.00 -1.26 -4.80 105.19 106.25 1ml3 n GLY 112 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1ml3 n GLY 112 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ml3 n LEU 113 N 0.00 0.41 -2.39 0.99 4.32 -1.26 -4.51 117.00 114.56 1ml3 n LEU 113 Ca 0.00 -0.28 -0.34 0.00 -0.02 0.00 0.00 56.01 55.37 1ml3 n LEU 113 Cb 0.00 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 41.86 1ml3 n LEU 113 CO 0.00 0.10 1.26 0.49 -1.22 0.00 0.00 177.39 178.03 1ml3 n PHE 114 N -1.67 3.14 -0.28 -1.77 3.72 -1.26 -4.71 117.46 114.63 1ml3 n PHE 114 Ca 0.00 -2.82 -0.06 0.00 -0.05 0.00 0.00 57.45 54.53 1ml3 n PHE 114 Cb 0.32 -1.22 0.06 0.00 -0.94 0.00 0.00 39.48 37.70 1ml3 n PHE 114 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1ml3 h THR 115 N 1.37 1.25 -2.97 4.37 2.02 -1.91 -3.32 112.91 113.72 1ml3 h THR 115 Ca 0.56 -0.77 -0.53 0.00 0.77 0.00 0.00 66.41 66.43 1ml3 h THR 115 Cb 0.78 0.32 0.07 0.00 -1.74 0.00 0.00 68.15 67.58 1ml3 h THR 115 CO 1.44 0.32 0.91 0.00 0.37 0.00 0.00 175.52 178.56 1ml3 n ALA 116 N -2.42 2.52 -0.25 6.16 0.00 -1.26 -3.26 120.51 122.00 1ml3 n ALA 116 Ca 0.07 0.39 0.01 0.00 0.00 0.00 0.00 53.44 53.91 1ml3 n ALA 116 Cb 0.17 -2.47 0.14 0.00 0.00 0.00 0.00 19.45 17.29 1ml3 n ALA 116 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ml3 h LYS 117 N 5.53 0.62 0.15 0.00 3.64 -0.84 0.44 116.57 126.11 1ml3 h LYS 117 Ca -0.45 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1ml3 h LYS 117 Cb 1.22 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1ml3 h LYS 117 CO 0.85 0.41 -0.07 0.00 -2.27 0.00 0.00 179.45 178.37 1ml3 h ALA 118 N 1.43 -0.20 0.08 5.00 0.00 -1.82 -2.58 119.26 121.16 1ml3 h ALA 118 Ca 0.35 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1ml3 h ALA 118 Cb 0.35 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1ml3 h ALA 118 CO -0.26 -0.60 -0.24 0.00 0.00 0.00 0.00 179.25 178.16 1ml3 h ALA 119 N 0.61 -0.38 0.00 0.00 0.00 -1.72 -0.81 119.26 116.96 1ml3 h ALA 119 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ml3 h ALA 119 Cb 0.18 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ml3 h ALA 119 CO 0.03 -0.76 0.05 0.00 0.00 0.00 0.00 179.25 178.57 1ml3 n ALA 120 N -2.59 0.91 -0.06 0.00 0.00 0.09 -1.81 120.51 117.05 1ml3 n ALA 120 Ca -0.06 0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 1ml3 n ALA 120 Cb 0.27 -0.91 0.04 0.00 0.00 0.00 0.00 19.45 18.84 1ml3 n ALA 120 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ml3 h GLU 121 N 0.00 0.74 -1.25 0.00 5.08 -0.72 -3.23 114.58 115.20 1ml3 h GLU 121 Ca 0.00 -0.40 0.45 0.00 -1.00 0.00 0.00 59.36 58.41 1ml3 h GLU 121 Cb 0.10 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 29.22 1ml3 h GLU 121 CO 0.00 1.02 0.78 0.41 -1.00 0.00 0.00 179.01 180.22 1ml3 n GLY 122 N 0.11 -0.80 0.32 -3.84 0.00 -0.75 0.11 105.19 100.34 1ml3 n GLY 122 Ca -0.02 0.76 0.12 0.00 0.00 0.00 0.00 46.02 46.88 1ml3 n GLY 122 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ml3 h HIS 123 N 0.00 0.12 -0.19 1.61 3.86 -1.76 -1.35 115.15 117.44 1ml3 h HIS 123 Ca 0.86 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.94 1ml3 h HIS 123 Cb 2.63 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 31.06 1ml3 h HIS 123 CO -0.01 0.07 -0.39 -0.07 0.86 0.00 0.00 177.93 178.39 1ml3 h LEU 124 N 0.12 0.68 -1.93 2.43 3.38 0.73 -1.51 115.31 119.21 1ml3 h LEU 124 Ca 0.14 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1ml3 h LEU 124 Cb 0.41 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ml3 h LEU 124 CO -0.02 1.10 -0.06 0.03 0.09 0.00 0.00 178.44 179.59 1ml3 h ARG 125 N 0.28 0.00 0.00 1.13 3.08 -1.28 -0.43 114.38 117.16 1ml3 h ARG 125 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1ml3 h ARG 125 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1ml3 h ARG 125 CO 0.09 0.06 0.00 0.41 -1.07 0.00 0.00 179.97 179.46 1ml3 n GLY 126 N -1.33 -1.46 0.00 0.04 0.00 -0.63 -4.91 105.19 96.91 1ml3 n GLY 126 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1ml3 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ml3 n GLY 127 N 1.13 1.21 3.73 -0.02 0.00 -0.17 -0.98 105.19 110.09 1ml3 n GLY 127 Ca 0.06 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1ml3 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ml3 s ALA 128 N -0.49 3.87 -0.90 4.61 0.00 -0.59 -4.54 121.76 123.71 1ml3 s ALA 128 Ca 0.00 1.55 0.26 0.00 0.00 0.00 0.00 51.96 53.77 1ml3 s ALA 128 Cb 0.00 -3.67 0.60 0.00 0.00 0.00 0.00 23.12 20.05 1ml3 s ALA 128 CO 0.00 -0.92 1.49 0.54 0.00 0.00 0.00 175.76 176.87 1ml3 n ARG 129 N 3.48 0.08 -3.68 0.00 1.74 0.14 -3.75 116.66 114.67 1ml3 n ARG 129 Ca 0.13 0.03 -0.15 0.00 -0.77 0.00 0.00 57.85 57.10 1ml3 n ARG 129 Cb 0.36 -1.55 -0.08 0.00 -1.02 0.00 0.00 32.46 30.17 1ml3 n ARG 129 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ml3 s LYS 130 N -3.04 0.81 -0.02 5.56 -0.14 -0.21 -4.88 119.74 117.81 1ml3 s LYS 130 Ca 0.10 -0.09 -0.00 0.00 -1.36 0.00 0.00 55.97 54.61 1ml3 s LYS 130 Cb 0.17 0.37 0.03 0.00 -1.68 0.00 0.00 37.83 36.72 1ml3 s LYS 130 CO 0.67 -0.24 0.04 0.08 -0.76 0.00 0.00 175.35 175.14 1ml3 s VAL 131 N -1.46 -0.07 -0.23 3.17 1.01 -0.34 -2.05 120.40 120.44 1ml3 s VAL 131 Ca -0.12 0.24 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 1ml3 s VAL 131 Cb -0.03 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 36.26 1ml3 s VAL 131 CO 0.05 0.10 -0.06 -0.69 0.00 0.00 0.00 175.10 174.50 1ml3 s VAL 132 N 1.21 3.10 -0.39 2.92 1.01 -0.98 -1.58 120.40 125.70 1ml3 s VAL 132 Ca -0.07 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 1ml3 s VAL 132 Cb -0.13 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1ml3 s VAL 132 CO -0.03 0.35 0.75 -0.63 0.00 0.00 0.00 175.10 175.54 1ml3 s ILE 133 N 1.41 4.75 -0.31 2.22 1.01 0.65 -0.81 121.20 130.13 1ml3 s ILE 133 Ca 0.04 0.66 -0.05 0.00 0.00 0.00 0.00 60.65 61.30 1ml3 s ILE 133 Cb -0.15 -4.21 -0.16 0.00 0.01 0.00 0.00 42.46 37.95 1ml3 s ILE 133 CO -0.05 -0.49 2.64 -1.54 0.00 0.00 0.00 174.94 175.50 1ml3 n SER 134 N 6.42 4.39 0.00 3.58 3.41 -0.37 -1.54 113.62 129.51 1ml3 n SER 134 Ca 0.02 -2.25 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 1ml3 n SER 134 Cb 0.48 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 1ml3 n SER 134 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ml3 n ALA 135 N 3.00 0.00 -1.77 7.33 0.00 -1.21 -4.96 120.51 122.91 1ml3 n ALA 135 Ca 0.37 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 1ml3 n ALA 135 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.97 1ml3 n ALA 135 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ml3 n PRO 136 N -0.24 2.64 -4.52 0.00 -0.02 -1.23 -3.89 135.00 127.75 1ml3 n PRO 136 Ca 0.00 0.93 -0.25 0.00 -2.02 0.00 0.00 63.50 62.16 1ml3 n PRO 136 Cb 0.00 -2.65 -0.11 0.00 -0.02 0.00 0.00 33.50 30.73 1ml3 n PRO 136 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ml3 s ALA 137 N -1.04 2.80 0.22 3.55 0.00 -1.26 -4.92 121.76 121.11 1ml3 s ALA 137 Ca 0.54 -2.07 0.03 0.00 0.00 0.00 0.00 51.96 50.47 1ml3 s ALA 137 Cb -0.48 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1ml3 s ALA 137 CO 0.63 0.00 0.11 -1.13 0.00 0.00 0.00 175.76 175.37 1ml3 n SER 138 N -0.75 0.61 -0.32 0.00 3.41 -1.20 -4.77 113.62 110.60 1ml3 n SER 138 Ca -0.05 -2.24 -0.03 0.00 -0.26 0.00 0.00 58.87 56.28 1ml3 n SER 138 Cb 0.64 0.71 -0.01 0.00 -0.26 0.00 0.00 64.21 65.29 1ml3 n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ml3 n GLY 139 N 0.25 0.46 1.65 5.00 0.00 -1.26 -0.21 105.19 111.07 1ml3 n GLY 139 Ca -0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 46.02 45.15 1ml3 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ml3 n GLY 140 N -1.89 0.82 3.80 -0.02 0.00 -1.26 -4.59 105.19 102.05 1ml3 n GLY 140 Ca -0.04 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 1ml3 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ml3 s ALA 141 N -3.03 3.70 0.04 4.61 0.00 -1.25 -5.03 121.76 120.81 1ml3 s ALA 141 Ca 0.04 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 1ml3 s ALA 141 Cb -0.02 -2.25 -0.07 0.00 0.00 0.00 0.00 23.12 20.77 1ml3 s ALA 141 CO 0.06 0.34 1.64 0.21 0.00 0.00 0.00 175.76 178.00 1ml3 s LYS 142 N -0.32 4.20 -0.25 0.00 2.47 -1.24 -4.76 119.74 119.84 1ml3 s LYS 142 Ca 0.17 2.28 -0.12 0.00 -1.56 0.00 0.00 55.97 56.74 1ml3 s LYS 142 Cb -0.13 -3.69 -0.05 0.00 -1.46 0.00 0.00 37.83 32.50 1ml3 s LYS 142 CO 0.06 -0.75 0.21 0.99 0.16 0.00 0.00 175.35 176.02 1ml3 s THR 143 N 2.94 5.31 -0.04 3.43 2.01 -1.26 -0.25 115.64 127.79 1ml3 s THR 143 Ca 0.73 0.28 0.06 0.00 0.31 0.00 0.00 61.69 63.07 1ml3 s THR 143 Cb -0.38 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 1ml3 s THR 143 CO 0.31 0.30 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.57 1ml3 s LEU 144 N 1.31 2.02 -0.18 4.42 1.43 0.23 -4.79 118.68 123.12 1ml3 s LEU 144 Ca 0.09 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1ml3 s LEU 144 Cb -0.14 -1.17 0.04 0.00 0.03 0.00 0.00 46.19 44.95 1ml3 s LEU 144 CO 0.07 0.23 -0.09 -0.69 0.23 0.00 0.00 176.35 176.10 1ml3 s VAL 145 N -0.26 1.41 0.20 -1.59 1.01 -1.26 -4.29 120.40 115.63 1ml3 s VAL 145 Ca 0.01 -0.80 -0.32 0.00 0.00 0.00 0.00 61.98 60.87 1ml3 s VAL 145 Cb -0.11 -1.51 -0.14 0.00 0.00 0.00 0.00 36.38 34.62 1ml3 s VAL 145 CO 0.01 0.19 1.34 0.23 0.00 0.00 0.00 175.10 176.87 1ml3 n MET 146 N 4.77 1.73 -0.62 2.72 0.00 -1.26 -1.03 117.12 123.44 1ml3 n MET 146 Ca -0.14 0.62 0.00 0.00 0.00 0.00 0.00 57.70 58.18 1ml3 n MET 146 Cb 0.47 -2.23 0.00 0.00 0.00 0.00 0.00 33.22 31.46 1ml3 n MET 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ml3 n GLY 147 N 2.23 1.76 0.84 3.03 0.00 -1.26 -4.81 105.19 106.99 1ml3 n GLY 147 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 1ml3 n GLY 147 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ml3 n VAL 148 N -2.00 0.54 -2.06 1.61 0.31 -0.20 -4.95 118.33 111.58 1ml3 n VAL 148 Ca 0.00 0.02 -0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1ml3 n VAL 148 Cb 0.00 -1.61 -0.01 0.00 -0.91 0.00 0.00 33.84 31.30 1ml3 n VAL 148 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1ml3 n ASN 149 N -3.35 -0.11 0.30 4.52 6.94 -0.88 -4.92 115.26 117.76 1ml3 n ASN 149 Ca -0.09 -1.56 0.20 0.00 -0.02 0.00 0.00 54.58 53.11 1ml3 n ASN 149 Cb 0.47 -0.01 0.93 0.00 -2.36 0.00 0.00 39.78 38.80 1ml3 n ASN 149 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 1ml3 h HIS 150 N 0.11 0.00 0.00 -2.53 2.07 -1.91 -0.66 115.15 112.22 1ml3 h HIS 150 Ca -0.15 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.37 1ml3 h HIS 150 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 1ml3 h HIS 150 CO -0.13 0.00 0.00 0.72 -3.07 0.00 0.00 177.93 175.45 1ml3 n HIS 151 N -3.05 0.00 0.73 6.12 8.25 -1.26 -1.63 115.22 124.38 1ml3 n HIS 151 Ca -0.01 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.55 1ml3 n HIS 151 Cb 0.19 0.00 0.28 0.00 1.12 0.00 0.00 29.99 31.58 1ml3 n HIS 151 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1ml3 n GLU 152 N -0.80 2.09 -2.44 -0.41 1.02 -0.26 -4.87 120.64 114.96 1ml3 n GLU 152 Ca 0.12 -1.65 -0.43 0.00 -0.02 0.00 0.00 57.16 55.18 1ml3 n GLU 152 Cb 0.05 -1.43 -0.02 0.00 -0.02 0.00 0.00 31.44 30.02 1ml3 n GLU 152 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1ml3 s TYR 153 N -1.58 3.06 -0.48 -0.32 5.04 -0.64 -4.99 117.35 117.44 1ml3 s TYR 153 Ca 0.34 1.13 -0.12 0.00 -2.44 0.00 0.00 57.07 55.99 1ml3 s TYR 153 Cb 0.19 -3.45 0.11 0.00 0.35 0.00 0.00 41.96 39.15 1ml3 s TYR 153 CO 0.27 -1.47 0.37 1.21 -1.34 0.00 0.00 175.55 174.59 1ml3 s ASN 154 N 1.66 5.86 0.18 4.32 3.84 -1.26 -4.99 114.94 124.55 1ml3 s ASN 154 Ca 0.55 -1.71 -0.16 0.00 0.21 0.00 0.00 52.86 51.75 1ml3 s ASN 154 Cb -0.24 -2.08 0.16 0.00 -0.55 0.00 0.00 41.25 38.54 1ml3 s ASN 154 CO 0.19 -0.69 1.27 -2.65 -2.79 0.00 0.00 177.10 172.43 1ml3 n PRO 155 N 5.03 -0.22 -3.03 0.43 -0.02 -1.26 -0.95 135.00 134.98 1ml3 n PRO 155 Ca -0.10 1.26 -0.40 0.00 -2.02 0.00 0.00 63.50 62.24 1ml3 n PRO 155 Cb 0.41 -1.86 -0.01 0.00 -0.02 0.00 0.00 33.50 32.02 1ml3 n PRO 155 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1ml3 n SER 156 N -5.18 6.04 0.00 2.55 3.41 -1.26 -4.22 113.62 114.96 1ml3 n SER 156 Ca 0.07 -3.46 0.00 0.00 -0.26 0.00 0.00 58.87 55.22 1ml3 n SER 156 Cb 0.31 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 1ml3 n SER 156 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1ml3 n GLU 157 N 1.04 0.00 -3.72 4.33 4.07 -0.88 -5.06 120.64 120.42 1ml3 n GLU 157 Ca 0.29 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 57.02 1ml3 n GLU 157 Cb 0.34 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.62 1ml3 n GLU 157 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1ml3 s HIS 158 N 0.00 3.44 -0.81 4.31 3.76 -0.12 -4.84 115.29 121.03 1ml3 s HIS 158 Ca 0.00 -2.64 0.16 0.00 -0.15 0.00 0.00 55.06 52.42 1ml3 s HIS 158 Cb 0.00 -3.22 -0.15 0.00 1.11 0.00 0.00 32.58 30.32 1ml3 s HIS 158 CO 0.00 -0.87 0.68 0.72 -0.85 0.00 0.00 174.74 174.43 1ml3 n HIS 159 N 3.69 0.00 -3.54 1.40 8.25 -1.26 -4.77 115.22 118.99 1ml3 n HIS 159 Ca 0.06 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.23 1ml3 n HIS 159 Cb 0.39 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.35 1ml3 n HIS 159 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ml3 s VAL 160 N -2.42 -0.02 0.48 1.59 1.01 -1.26 -1.19 120.40 118.59 1ml3 s VAL 160 Ca 0.07 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.25 1ml3 s VAL 160 Cb 0.12 -1.02 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 1ml3 s VAL 160 CO 0.62 -0.75 0.30 0.68 0.00 0.00 0.00 175.10 175.95 1ml3 s VAL 161 N 2.00 1.99 0.03 2.92 -7.23 -0.61 -3.67 120.40 115.82 1ml3 s VAL 161 Ca 0.10 -1.56 0.07 0.00 -1.81 0.00 0.00 61.98 58.77 1ml3 s VAL 161 Cb -0.17 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 1ml3 s VAL 161 CO -0.34 0.00 -0.19 -0.55 -0.31 0.00 0.00 175.10 173.71 1ml3 s SER 162 N -4.11 2.26 0.00 4.85 0.15 0.65 -0.25 113.70 117.25 1ml3 s SER 162 Ca 0.37 -0.47 0.23 0.00 0.70 0.00 0.00 55.95 56.77 1ml3 s SER 162 Cb -0.00 -0.19 0.53 0.00 -1.71 0.00 0.00 66.02 64.64 1ml3 s SER 162 CO 0.21 0.15 1.47 -3.20 1.20 0.00 0.00 173.24 173.07 1ml3 n ASN 163 N 2.01 3.71 -0.06 5.45 5.15 -0.59 -0.60 115.26 130.34 1ml3 n ASN 163 Ca -0.17 -2.00 0.00 0.00 -0.60 0.00 0.00 54.58 51.82 1ml3 n ASN 163 Cb 0.54 -0.37 0.00 0.00 -0.53 0.00 0.00 39.78 39.42 1ml3 n ASN 163 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ml3 n ALA 164 N 1.57 0.00 -2.10 5.20 0.00 -1.25 -4.78 120.51 119.15 1ml3 n ALA 164 Ca 0.22 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.46 1ml3 n ALA 164 Cb 0.61 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.10 1ml3 n ALA 164 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ml3 s SER 165 N -4.00 5.14 0.07 0.00 1.04 -1.26 -3.30 113.70 111.38 1ml3 s SER 165 Ca 0.00 -0.82 -0.20 0.00 0.48 0.00 0.00 55.95 55.42 1ml3 s SER 165 Cb 0.00 0.06 -0.10 0.00 0.10 0.00 0.00 66.02 66.08 1ml3 s SER 165 CO 0.00 -1.14 1.50 0.00 0.98 0.00 0.00 173.24 174.57 1ml3 h THR 167 N 0.12 1.06 -0.13 0.00 2.02 -1.95 -1.97 112.91 112.06 1ml3 h THR 167 Ca 0.06 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1ml3 h THR 167 Cb 0.42 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1ml3 h THR 167 CO 0.01 0.06 0.00 0.74 0.37 0.00 0.00 175.52 176.70 1ml3 h THR 168 N 0.27 1.09 0.00 3.16 2.02 -1.81 0.76 112.91 118.40 1ml3 h THR 168 Ca 0.07 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1ml3 h THR 168 Cb -0.02 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1ml3 h THR 168 CO -0.02 0.11 0.00 0.59 0.37 0.00 0.00 175.52 176.57 1ml3 n ASN 169 N -4.43 0.35 -0.11 4.18 3.02 -0.78 -0.84 115.26 116.65 1ml3 n ASN 169 Ca -0.01 0.57 -0.24 0.00 -0.03 0.00 0.00 54.58 54.87 1ml3 n ASN 169 Cb 0.15 -0.65 -0.11 0.00 -0.61 0.00 0.00 39.78 38.56 1ml3 n ASN 169 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ml3 h LEU 171 N -0.60 -0.02 -0.67 0.00 6.46 -1.12 -3.31 115.31 116.05 1ml3 h LEU 171 Ca -0.55 -0.51 0.11 0.00 -0.12 0.00 0.00 57.88 56.81 1ml3 h LEU 171 Cb 1.67 0.01 -0.12 0.00 -0.73 0.00 0.00 40.66 41.49 1ml3 h LEU 171 CO -0.22 0.50 -0.38 0.00 -0.62 0.00 0.00 178.44 177.72 1ml3 h ALA 172 N 0.39 -0.11 -0.86 1.25 0.00 -1.22 0.12 119.26 118.82 1ml3 h ALA 172 Ca -0.00 0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.19 1ml3 h ALA 172 Cb 0.53 0.90 -0.08 0.00 0.00 0.00 0.00 17.79 19.14 1ml3 h ALA 172 CO 0.00 -0.72 0.49 -1.35 0.00 0.00 0.00 179.25 177.67 1ml3 h PRO 173 N -0.15 0.75 0.07 0.00 0.11 -1.76 0.45 132.00 131.48 1ml3 h PRO 173 Ca 0.23 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 1ml3 h PRO 173 Cb 0.56 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1ml3 h PRO 173 CO -0.74 0.50 -0.04 0.82 -0.21 0.00 0.00 178.00 178.33 1ml3 h ILE 174 N 0.78 1.00 -0.73 4.15 1.08 -0.93 -2.05 117.51 120.80 1ml3 h ILE 174 Ca 0.44 -0.26 -0.05 0.00 -0.39 0.00 0.00 64.86 64.60 1ml3 h ILE 174 Cb 0.48 1.17 -0.03 0.00 -3.07 0.00 0.00 36.82 35.37 1ml3 h ILE 174 CO -0.29 0.06 0.28 0.58 -0.69 0.00 0.00 178.15 178.10 1ml3 h VAL 175 N -0.22 1.25 -0.92 1.67 2.07 -0.39 -2.05 116.25 117.66 1ml3 h VAL 175 Ca -0.01 -0.82 0.10 0.00 0.82 0.00 0.00 66.70 66.79 1ml3 h VAL 175 Cb 0.18 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.29 1ml3 h VAL 175 CO 0.02 0.33 0.56 -0.74 0.02 0.00 0.00 177.57 177.76 1ml3 h HIS 176 N 1.06 1.02 -0.11 1.57 -0.00 0.06 0.10 115.15 118.87 1ml3 h HIS 176 Ca 0.24 0.03 -0.17 0.00 -0.00 0.00 0.00 60.37 60.47 1ml3 h HIS 176 Cb 0.24 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 1ml3 h HIS 176 CO 0.02 0.43 -0.67 0.28 -0.00 0.00 0.00 177.93 177.99 1ml3 h VAL 177 N 0.93 1.36 -0.52 5.26 2.07 -1.07 0.28 116.25 124.56 1ml3 h VAL 177 Ca 0.44 -2.03 -0.02 0.00 0.82 0.00 0.00 66.70 65.92 1ml3 h VAL 177 Cb 0.39 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 1ml3 h VAL 177 CO -0.24 0.61 0.26 -0.07 0.02 0.00 0.00 177.57 178.15 1ml3 h LEU 178 N 0.31 0.68 -0.01 2.57 3.38 -0.48 -0.03 115.31 121.73 1ml3 h LEU 178 Ca -0.02 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1ml3 h LEU 178 Cb 1.23 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.81 1ml3 h LEU 178 CO 0.12 0.60 -0.25 0.58 0.09 0.00 0.00 178.44 179.58 1ml3 h VAL 179 N 0.70 1.53 0.00 1.22 2.07 -0.76 -0.67 116.25 120.34 1ml3 h VAL 179 Ca 0.18 -1.92 -0.03 0.00 0.82 0.00 0.00 66.70 65.75 1ml3 h VAL 179 Cb 0.10 2.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1ml3 h VAL 179 CO -0.02 0.53 -0.16 0.50 0.02 0.00 0.00 177.57 178.43 1ml3 h LYS 180 N -0.47 0.00 -0.09 1.57 3.64 -0.43 -2.54 116.57 118.26 1ml3 h LYS 180 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1ml3 h LYS 180 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1ml3 h LYS 180 CO 0.05 0.16 0.00 0.39 -2.27 0.00 0.00 179.45 177.78 1ml3 n GLU 181 N -3.84 1.78 -0.52 1.90 -0.58 -0.03 -4.95 120.64 114.40 1ml3 n GLU 181 Ca -0.02 -1.14 0.00 0.00 -0.42 0.00 0.00 57.16 55.58 1ml3 n GLU 181 Cb 0.26 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 1ml3 n GLU 181 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ml3 n GLY 182 N 1.19 0.75 0.11 0.62 0.00 -0.96 -4.95 105.19 101.95 1ml3 n GLY 182 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 1ml3 n GLY 182 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ml3 h PHE 183 N 0.00 0.47 -0.83 1.61 0.04 -1.42 -3.44 116.94 113.36 1ml3 h PHE 183 Ca 0.00 -0.34 0.08 0.00 2.80 0.00 0.00 57.97 60.51 1ml3 h PHE 183 Cb 0.00 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.09 1ml3 h PHE 183 CO 0.00 1.27 -0.30 0.41 -0.60 0.00 0.00 178.31 179.08 1ml3 n GLY 184 N 1.66 -2.81 2.99 -1.45 0.00 -0.39 -0.03 105.19 105.16 1ml3 n GLY 184 Ca -0.13 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 1ml3 n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ml3 s VAL 185 N -3.34 1.47 -0.18 1.61 1.01 -1.26 -2.66 120.40 117.05 1ml3 s VAL 185 Ca 0.00 -0.60 -0.23 0.00 0.00 0.00 0.00 61.98 61.14 1ml3 s VAL 185 Cb 0.00 -1.42 -0.21 0.00 0.00 0.00 0.00 36.38 34.76 1ml3 s VAL 185 CO 0.00 0.41 0.38 1.56 0.00 0.00 0.00 175.10 177.45 1ml3 h GLN 186 N 8.07 0.00 -3.42 2.72 4.20 -1.21 -3.46 115.11 122.01 1ml3 h GLN 186 Ca -0.36 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.24 1ml3 h GLN 186 Cb 1.13 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.73 1ml3 h GLN 186 CO 0.50 0.96 -0.35 0.95 -0.67 0.00 0.00 178.83 180.23 1ml3 s THR 187 N -2.30 0.09 -0.26 -0.54 -4.23 -1.25 -4.84 115.64 102.31 1ml3 s THR 187 Ca -0.25 -0.76 -0.24 0.00 -1.18 0.00 0.00 61.69 59.26 1ml3 s THR 187 Cb 0.03 -0.84 0.07 0.00 1.34 0.00 0.00 72.50 73.10 1ml3 s THR 187 CO 0.61 -0.42 0.69 -0.83 -0.54 0.00 0.00 174.62 174.13 1ml3 s GLY 188 N -1.92 -0.53 -0.06 3.99 0.00 -0.21 -2.07 107.32 106.52 1ml3 s GLY 188 Ca -0.07 1.98 0.05 0.00 0.00 0.00 0.00 44.72 46.68 1ml3 s GLY 188 CO -0.02 1.72 -0.21 1.08 0.00 0.00 0.00 173.10 175.67 1ml3 s LEU 189 N 0.44 1.98 0.02 0.66 1.43 -0.18 -2.32 118.68 120.72 1ml3 s LEU 189 Ca -0.01 -0.44 0.09 0.00 -1.03 0.00 0.00 54.13 52.74 1ml3 s LEU 189 Cb -0.05 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 1ml3 s LEU 189 CO -0.00 0.18 -0.25 0.00 0.23 0.00 0.00 176.35 176.51 1ml3 s MET 190 N 0.04 1.82 -0.06 1.70 0.23 -0.35 -1.00 119.30 121.68 1ml3 s MET 190 Ca -0.06 -1.02 0.02 0.00 -1.03 0.00 0.00 55.69 53.60 1ml3 s MET 190 Cb -0.14 -1.91 0.02 0.00 -1.53 0.00 0.00 34.83 31.27 1ml3 s MET 190 CO 0.04 0.50 -0.10 0.99 -2.03 0.00 0.00 175.02 174.42 1ml3 s THR 191 N -0.73 0.96 -0.21 3.16 2.01 -0.02 -0.94 115.64 119.88 1ml3 s THR 191 Ca 0.11 -0.38 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 1ml3 s THR 191 Cb -0.10 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.52 1ml3 s THR 191 CO 0.01 0.32 -0.10 0.28 -0.69 0.00 0.00 174.62 174.44 1ml3 s THR 192 N 0.71 2.90 -0.53 -0.82 -1.32 -1.00 0.84 115.64 116.42 1ml3 s THR 192 Ca -0.13 -0.65 -0.26 0.00 -1.21 0.00 0.00 61.69 59.43 1ml3 s THR 192 Cb -0.15 -2.29 0.03 0.00 -1.51 0.00 0.00 72.50 68.58 1ml3 s THR 192 CO 0.03 0.47 1.04 -0.63 -2.21 0.00 0.00 174.62 173.31 1ml3 s ILE 193 N 1.40 4.27 -0.11 5.08 1.09 -0.05 -1.25 121.20 131.64 1ml3 s ILE 193 Ca 0.05 0.69 -0.01 0.00 -1.10 0.00 0.00 60.65 60.28 1ml3 s ILE 193 Cb -0.14 -4.58 -0.02 0.00 -1.06 0.00 0.00 42.46 36.66 1ml3 s ILE 193 CO -0.07 -1.11 -0.09 -2.28 -0.10 0.00 0.00 174.94 171.30 1ml3 s HIS 194 N 4.27 2.90 0.50 3.97 2.46 0.14 -1.57 115.29 127.97 1ml3 s HIS 194 Ca 0.38 -0.30 -0.20 0.00 0.47 0.00 0.00 55.06 55.41 1ml3 s HIS 194 Cb -0.10 -1.82 -0.08 0.00 -0.13 0.00 0.00 32.58 30.46 1ml3 s HIS 194 CO 0.24 0.04 1.06 -1.54 -2.47 0.00 0.00 174.74 172.07 1ml3 s SER 195 N -0.08 6.16 0.94 9.88 1.04 -1.25 0.15 113.70 130.54 1ml3 s SER 195 Ca -0.00 1.99 -0.10 0.00 0.48 0.00 0.00 55.95 58.31 1ml3 s SER 195 Cb -0.13 -2.56 0.15 0.00 0.10 0.00 0.00 66.02 63.57 1ml3 s SER 195 CO 0.03 -0.91 1.08 0.00 0.98 0.00 0.00 173.24 174.42 1ml3 n TYR 196 N -1.09 0.53 -4.51 5.02 0.18 -0.33 -4.75 117.16 112.20 1ml3 n TYR 196 Ca 0.10 0.35 -0.26 0.00 1.88 0.00 0.00 57.90 59.97 1ml3 n TYR 196 Cb 0.52 -1.96 -0.08 0.00 -0.38 0.00 0.00 39.34 37.44 1ml3 n TYR 196 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 1ml3 s THR 197 N -2.60 0.61 0.54 -3.48 -4.23 -1.26 -4.72 115.64 100.50 1ml3 s THR 197 Ca 0.66 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.40 1ml3 s THR 197 Cb -0.23 -2.35 0.34 0.00 1.34 0.00 0.00 72.50 71.60 1ml3 s THR 197 CO 0.59 0.00 2.08 0.00 -0.54 0.00 0.00 174.62 176.75 1ml3 h ALA 198 N 1.79 2.18 -0.00 3.99 0.00 -1.97 -1.85 119.26 123.40 1ml3 h ALA 198 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ml3 h ALA 198 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ml3 h ALA 198 CO 0.57 -0.34 -0.03 0.25 0.00 0.00 0.00 179.25 179.70 1ml3 n THR 199 N -4.32 0.00 -2.25 0.00 -2.24 -1.26 -4.85 114.28 99.36 1ml3 n THR 199 Ca 0.03 -0.01 -0.23 0.00 -2.27 0.00 0.00 64.05 61.57 1ml3 n THR 199 Cb 0.36 -0.43 0.14 0.00 -2.10 0.00 0.00 70.33 68.30 1ml3 n THR 199 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ml3 n GLN 200 N -1.31 -0.53 -4.14 -0.78 6.02 -0.70 -4.98 117.38 110.96 1ml3 n GLN 200 Ca 0.12 -2.20 -0.16 0.00 -0.01 0.00 0.00 57.00 54.75 1ml3 n GLN 200 Cb 0.27 -0.88 -0.12 0.00 1.02 0.00 0.00 30.24 30.54 1ml3 n GLN 200 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1ml3 s LYS 201 N -5.19 0.70 0.21 -1.09 1.02 -1.26 -5.00 119.74 109.13 1ml3 s LYS 201 Ca 0.64 -0.84 -0.09 0.00 0.02 0.00 0.00 55.97 55.69 1ml3 s LYS 201 Cb -0.03 -0.61 0.17 0.00 -0.52 0.00 0.00 37.83 36.85 1ml3 s LYS 201 CO 0.43 0.13 1.85 1.79 -0.92 0.00 0.00 175.35 178.63 1ml3 h THR 202 N 4.41 1.23 -3.34 2.17 1.35 -1.93 0.15 112.91 116.95 1ml3 h THR 202 Ca -0.38 -0.53 -0.36 0.00 -0.55 0.00 0.00 66.41 64.58 1ml3 h THR 202 Cb 1.19 0.13 -0.14 0.00 -1.73 0.00 0.00 68.15 67.60 1ml3 h THR 202 CO 0.41 0.25 -0.68 0.68 -0.25 0.00 0.00 175.52 175.93 1ml3 s VAL 203 N -5.92 1.09 -0.25 6.82 -7.23 -1.26 -4.11 120.40 109.54 1ml3 s VAL 203 Ca -0.13 -2.05 -0.38 0.00 -1.81 0.00 0.00 61.98 57.62 1ml3 s VAL 203 Cb 0.16 -2.17 -0.14 0.00 0.56 0.00 0.00 36.38 34.79 1ml3 s VAL 203 CO 0.80 -0.47 1.88 0.47 -0.31 0.00 0.00 175.10 177.47 1ml3 n ASP 204 N -0.34 2.60 0.00 4.85 8.00 -1.26 -4.27 116.55 126.14 1ml3 n ASP 204 Ca -0.07 0.91 0.00 0.00 0.71 0.00 0.00 54.79 56.34 1ml3 n ASP 204 Cb 0.63 -1.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 1ml3 n ASP 204 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ml3 n GLY 205 N 4.78 5.30 3.29 0.44 0.00 0.38 -4.93 105.19 114.44 1ml3 n GLY 205 Ca 0.29 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.52 1ml3 n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ml3 s VAL 206 N 2.45 2.93 -0.40 1.61 1.01 -1.26 -4.81 120.40 121.93 1ml3 s VAL 206 Ca 0.00 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.37 1ml3 s VAL 206 Cb 0.00 -2.27 0.22 0.00 0.00 0.00 0.00 36.38 34.34 1ml3 s VAL 206 CO 0.00 0.49 0.47 -0.24 0.00 0.00 0.00 175.10 175.83 1ml3 n SER 207 N 4.17 -0.19 -0.38 3.32 2.88 -1.26 -4.93 113.62 117.24 1ml3 n SER 207 Ca -0.19 -2.60 0.31 0.00 -1.33 0.00 0.00 58.87 55.06 1ml3 n SER 207 Cb 0.52 -0.51 0.61 0.00 -0.75 0.00 0.00 64.21 64.08 1ml3 n SER 207 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1ml3 h VAL 208 N 2.95 0.35 -0.65 2.46 2.07 -1.97 0.45 116.25 121.92 1ml3 h VAL 208 Ca 0.13 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1ml3 h VAL 208 Cb 0.90 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1ml3 h VAL 208 CO 0.42 0.04 0.00 0.29 0.02 0.00 0.00 177.57 178.34 1ml3 n LYS 209 N -4.53 3.70 -2.71 1.57 4.76 -1.26 -4.71 118.16 114.98 1ml3 n LYS 209 Ca 0.30 -2.89 -0.02 0.00 -2.87 0.00 0.00 58.31 52.83 1ml3 n LYS 209 Cb 1.17 -1.88 0.03 0.00 -1.84 0.00 0.00 35.03 32.51 1ml3 n LYS 209 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ml3 s ASP 210 N -0.93 -0.47 0.22 4.39 -1.08 0.14 -5.06 116.67 113.89 1ml3 s ASP 210 Ca 0.51 -0.50 -0.10 0.00 -0.52 0.00 0.00 52.55 51.94 1ml3 s ASP 210 Cb 0.33 0.61 0.32 0.00 -1.46 0.00 0.00 42.92 42.72 1ml3 s ASP 210 CO 0.25 -0.02 1.67 -0.50 0.52 0.00 0.00 175.17 177.09 1ml3 h TRP 211 N 4.55 0.02 -0.71 -5.34 4.06 -1.82 -0.67 115.95 116.04 1ml3 h TRP 211 Ca 0.00 0.04 -0.07 0.00 2.06 0.00 0.00 58.89 60.92 1ml3 h TRP 211 Cb 1.17 0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 29.39 1ml3 h TRP 211 CO -0.05 -0.15 0.16 0.00 -3.56 0.00 0.00 178.44 174.84 1ml3 h ARG 212 N 0.15 1.14 0.00 0.49 3.08 -1.90 -2.31 114.38 115.02 1ml3 h ARG 212 Ca 0.34 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1ml3 h ARG 212 Cb 0.55 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1ml3 h ARG 212 CO -0.52 1.01 0.00 0.78 -1.07 0.00 0.00 179.97 180.17 1ml3 h GLY 213 N 1.08 0.00 1.63 0.04 0.00 -1.43 -1.85 103.07 102.54 1ml3 h GLY 213 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1ml3 h GLY 213 CO 0.01 0.00 -0.33 -1.33 0.00 0.00 0.00 176.54 174.89 1ml3 h GLY 214 N 0.23 0.00 -1.65 4.60 0.00 -0.95 -3.38 103.07 101.92 1ml3 h GLY 214 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1ml3 h GLY 214 CO 0.00 0.00 0.37 0.50 0.00 0.00 0.00 176.54 177.41 1ml3 s ARG 215 N -3.21 2.95 -0.40 4.80 1.81 -0.70 -0.47 118.95 123.73 1ml3 s ARG 215 Ca 0.06 1.27 -0.42 0.00 -1.72 0.00 0.00 55.73 54.92 1ml3 s ARG 215 Cb 0.09 -1.98 -0.17 0.00 -0.45 0.00 0.00 34.95 32.44 1ml3 s ARG 215 CO 0.69 -1.11 1.88 0.00 -0.68 0.00 0.00 175.30 176.08 1ml3 n ALA 216 N -2.42 -0.18 0.01 2.13 0.00 -1.26 -4.49 120.51 114.30 1ml3 n ALA 216 Ca 0.09 0.29 -0.13 0.00 0.00 0.00 0.00 53.44 53.70 1ml3 n ALA 216 Cb 0.52 -2.16 -0.09 0.00 0.00 0.00 0.00 19.45 17.72 1ml3 n ALA 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ml3 h ALA 217 N 7.96 0.00 -0.00 0.00 0.00 -0.84 -3.24 119.26 123.13 1ml3 h ALA 217 Ca -0.34 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ml3 h ALA 217 Cb 1.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1ml3 h ALA 217 CO 1.01 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.90 1ml3 n ALA 218 N -2.24 2.50 -1.47 0.00 0.00 -1.26 -3.59 120.51 114.46 1ml3 n ALA 218 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1ml3 n ALA 218 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1ml3 n ALA 218 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1ml3 n VAL 219 N -0.39 0.02 -4.06 0.00 0.24 -1.24 -4.76 118.33 108.14 1ml3 n VAL 219 Ca 0.00 -0.02 -0.10 0.00 -2.04 0.00 0.00 64.34 62.18 1ml3 n VAL 219 Cb 0.05 0.75 -0.11 0.00 -1.47 0.00 0.00 33.84 33.07 1ml3 n VAL 219 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1ml3 s ASN 220 N -0.50 0.59 -0.32 -1.34 0.01 -1.22 -5.07 114.94 107.09 1ml3 s ASN 220 Ca 0.00 -0.71 -0.12 0.00 -0.71 0.00 0.00 52.86 51.32 1ml3 s ASN 220 Cb 0.00 0.11 -0.02 0.00 0.41 0.00 0.00 41.25 41.75 1ml3 s ASN 220 CO 0.00 -0.38 0.22 -0.63 -1.51 0.00 0.00 177.10 174.80 1ml3 s ILE 221 N -2.38 5.18 -0.28 0.60 1.01 -1.26 -4.10 121.20 119.98 1ml3 s ILE 221 Ca -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 1ml3 s ILE 221 Cb -0.03 -3.62 0.04 0.00 0.01 0.00 0.00 42.46 38.86 1ml3 s ILE 221 CO -0.03 0.05 -0.04 -0.63 0.00 0.00 0.00 174.94 174.29 1ml3 s ILE 222 N 1.71 2.80 0.82 2.92 1.01 0.60 -4.93 121.20 126.14 1ml3 s ILE 222 Ca 0.06 -1.31 -0.12 0.00 0.00 0.00 0.00 60.65 59.29 1ml3 s ILE 222 Cb -0.17 -2.55 0.09 0.00 0.01 0.00 0.00 42.46 39.84 1ml3 s ILE 222 CO 0.10 0.01 1.16 -2.84 0.00 0.00 0.00 174.94 173.37 1ml3 s PRO 223 N 1.25 1.66 -0.27 2.79 0.02 -1.26 -0.27 135.00 138.92 1ml3 s PRO 223 Ca -0.04 1.56 -0.26 0.00 0.02 0.00 0.00 61.00 62.28 1ml3 s PRO 223 Cb -0.19 -1.80 0.16 0.00 0.02 0.00 0.00 34.50 32.69 1ml3 s PRO 223 CO -0.03 -2.16 1.21 0.45 -0.33 0.00 0.00 177.00 176.15 1ml3 s SER 224 N -2.55 -0.24 0.88 2.53 0.15 0.37 -4.75 113.70 110.09 1ml3 s SER 224 Ca 0.69 0.41 -0.13 0.00 0.70 0.00 0.00 55.95 57.61 1ml3 s SER 224 Cb -0.24 0.39 0.13 0.00 -1.71 0.00 0.00 66.02 64.59 1ml3 s SER 224 CO 0.53 -0.12 1.19 0.42 1.20 0.00 0.00 173.24 176.45 1ml3 s THR 225 N -0.24 1.98 -0.09 6.45 -4.23 -1.26 0.10 115.64 118.35 1ml3 s THR 225 Ca 0.05 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.25 1ml3 s THR 225 Cb -0.04 -2.89 0.10 0.00 1.34 0.00 0.00 72.50 71.01 1ml3 s THR 225 CO -0.08 0.00 0.83 0.28 -0.54 0.00 0.00 174.62 175.11 1ml3 s THR 226 N -3.51 0.00 -0.59 3.99 -1.32 -1.26 -4.57 115.64 108.39 1ml3 s THR 226 Ca 0.65 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 61.35 1ml3 s THR 226 Cb -0.11 -1.00 -0.22 0.00 -1.51 0.00 0.00 72.50 69.66 1ml3 s THR 226 CO 0.51 0.00 0.83 0.61 -2.21 0.00 0.00 174.62 174.37 1ml3 n GLY 227 N 0.71 -1.08 0.32 6.08 0.00 -1.26 -4.56 105.19 105.39 1ml3 n GLY 227 Ca -0.14 -0.51 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 1ml3 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ml3 n ALA 228 N -1.83 -0.10 0.31 4.61 0.00 -1.26 0.12 120.51 122.37 1ml3 n ALA 228 Ca 0.01 0.82 -0.17 0.00 0.00 0.00 0.00 53.44 54.10 1ml3 n ALA 228 Cb 0.43 -0.37 -0.09 0.00 0.00 0.00 0.00 19.45 19.43 1ml3 n ALA 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ml3 h ALA 229 N 1.14 -0.96 -0.39 0.00 0.00 -1.91 -1.85 119.26 115.28 1ml3 h ALA 229 Ca 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ml3 h ALA 229 Cb 0.49 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1ml3 h ALA 229 CO -0.82 -1.06 0.17 0.87 0.00 0.00 0.00 179.25 178.41 1ml3 h LYS 230 N -0.92 0.55 0.00 0.00 1.57 -1.25 -1.38 116.57 115.15 1ml3 h LYS 230 Ca -0.06 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1ml3 h LYS 230 Cb 0.77 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1ml3 h LYS 230 CO 0.02 0.45 -0.05 0.00 -0.57 0.00 0.00 179.45 179.30 1ml3 h ALA 231 N 1.64 1.23 0.00 3.86 0.00 0.13 0.54 119.26 126.66 1ml3 h ALA 231 Ca 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1ml3 h ALA 231 Cb 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ml3 h ALA 231 CO -0.02 0.06 -0.17 0.28 0.00 0.00 0.00 179.25 179.41 1ml3 h VAL 232 N 0.00 0.57 0.00 0.00 2.07 -0.42 -2.04 116.25 116.43 1ml3 h VAL 232 Ca -0.00 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1ml3 h VAL 232 Cb 0.20 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1ml3 h VAL 232 CO 0.01 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.37 1ml3 n GLY 233 N -0.37 -0.95 0.11 2.17 0.00 0.18 -0.26 105.19 106.07 1ml3 n GLY 233 Ca -0.01 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1ml3 n GLY 233 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ml3 h MET 234 N 0.00 0.06 -0.32 1.61 2.86 -1.50 -3.21 114.93 114.43 1ml3 h MET 234 Ca 0.00 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 1ml3 h MET 234 Cb 0.20 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1ml3 h MET 234 CO 0.00 1.05 -0.03 0.28 1.06 0.00 0.00 176.91 179.27 1ml3 h VAL 235 N -0.80 1.27 -3.11 -2.22 2.07 -1.50 -3.35 116.25 108.62 1ml3 h VAL 235 Ca -0.30 -1.02 -0.62 0.00 0.82 0.00 0.00 66.70 65.58 1ml3 h VAL 235 Cb 1.40 1.29 -0.42 0.00 -1.52 0.00 0.00 31.29 32.04 1ml3 h VAL 235 CO -0.11 0.33 -0.58 -0.63 0.02 0.00 0.00 177.57 176.59 1ml3 s ILE 236 N -4.91 2.83 0.37 4.57 1.01 0.64 -4.83 121.20 120.88 1ml3 s ILE 236 Ca -0.13 -4.14 0.19 0.00 0.00 0.00 0.00 60.65 56.57 1ml3 s ILE 236 Cb 0.09 -2.87 0.36 0.00 0.01 0.00 0.00 42.46 40.04 1ml3 s ILE 236 CO 0.78 -0.98 1.62 -0.65 0.00 0.00 0.00 174.94 175.70 1ml3 h PRO 237 N 5.54 0.15 -0.15 2.79 0.11 -1.69 -1.23 132.00 137.51 1ml3 h PRO 237 Ca 0.12 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.26 1ml3 h PRO 237 Cb 0.77 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 1ml3 h PRO 237 CO 0.71 0.10 0.20 0.66 -0.21 0.00 0.00 178.00 179.46 1ml3 h SER 238 N 0.15 0.00 0.54 -2.05 4.64 -1.94 -1.38 113.55 113.51 1ml3 h SER 238 Ca 0.80 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.12 1ml3 h SER 238 Cb 2.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.13 1ml3 h SER 238 CO -0.66 0.00 -0.37 0.35 -0.87 0.00 0.00 176.83 175.28 1ml3 n THR 239 N -3.62 0.00 -1.60 2.95 -2.24 -0.46 -4.90 114.28 104.41 1ml3 n THR 239 Ca 0.01 -0.02 -0.52 0.00 -2.27 0.00 0.00 64.05 61.25 1ml3 n THR 239 Cb 0.32 0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.61 1ml3 n THR 239 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1ml3 n GLN 240 N -1.38 1.18 -0.58 -0.78 -0.06 -0.52 0.09 117.38 115.32 1ml3 n GLN 240 Ca 0.07 0.43 0.00 0.00 -2.00 0.00 0.00 57.00 55.49 1ml3 n GLN 240 Cb 0.33 -2.08 0.00 0.00 -4.06 0.00 0.00 30.24 24.44 1ml3 n GLN 240 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ml3 n GLY 241 N 2.69 1.72 0.04 1.69 0.00 -1.26 -4.82 105.19 105.25 1ml3 n GLY 241 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 1ml3 n GLY 241 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ml3 n LYS 242 N -2.00 0.74 -4.35 1.61 5.02 0.11 -5.00 118.16 114.30 1ml3 n LYS 242 Ca 0.00 -0.11 -0.26 0.00 -2.02 0.00 0.00 58.31 55.92 1ml3 n LYS 242 Cb 0.00 -1.48 -0.12 0.00 -0.02 0.00 0.00 35.03 33.41 1ml3 n LYS 242 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ml3 s LEU 243 N -4.80 2.36 0.05 -0.35 1.02 -1.19 -1.04 118.68 114.73 1ml3 s LEU 243 Ca -0.08 -0.77 -0.28 0.00 0.02 0.00 0.00 54.13 53.02 1ml3 s LEU 243 Cb 0.10 -1.02 0.09 0.00 0.02 0.00 0.00 46.19 45.38 1ml3 s LEU 243 CO 0.81 0.09 1.01 0.28 0.02 0.00 0.00 176.35 178.56 1ml3 s THR 244 N -1.40 0.00 0.01 5.49 -1.32 -0.98 -4.00 115.64 113.45 1ml3 s THR 244 Ca 0.13 -0.35 -0.15 0.00 -1.21 0.00 0.00 61.69 60.10 1ml3 s THR 244 Cb -0.09 -1.64 0.05 0.00 -1.51 0.00 0.00 72.50 69.31 1ml3 s THR 244 CO 0.06 0.00 0.71 0.61 -2.21 0.00 0.00 174.62 173.79 1ml3 n GLY 245 N -0.38 0.49 0.24 6.08 0.00 -1.26 -1.21 105.19 109.15 1ml3 n GLY 245 Ca -0.07 -0.97 -0.02 0.00 0.00 0.00 0.00 46.02 44.96 1ml3 n GLY 245 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ml3 n MET 246 N -0.51 0.60 -3.98 1.61 0.00 -0.11 -4.01 117.12 110.72 1ml3 n MET 246 Ca 0.02 -0.25 -0.09 0.00 0.00 0.00 0.00 57.70 57.38 1ml3 n MET 246 Cb 0.33 0.16 -0.11 0.00 0.00 0.00 0.00 33.22 33.60 1ml3 n MET 246 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1ml3 s SER 247 N -1.18 0.25 -0.26 3.17 0.15 0.29 -2.38 113.70 113.74 1ml3 s SER 247 Ca 0.02 -0.53 -0.01 0.00 0.70 0.00 0.00 55.95 56.13 1ml3 s SER 247 Cb 0.00 0.13 0.08 0.00 -1.71 0.00 0.00 66.02 64.52 1ml3 s SER 247 CO 0.01 -0.36 0.04 -0.36 1.20 0.00 0.00 173.24 173.78 1ml3 s PHE 248 N -1.82 1.82 -0.20 3.44 0.08 -0.38 -0.48 117.98 120.44 1ml3 s PHE 248 Ca -0.12 -1.57 -0.29 0.00 0.12 0.00 0.00 56.93 55.07 1ml3 s PHE 248 Cb -0.07 -1.56 0.00 0.00 -0.57 0.00 0.00 43.02 40.83 1ml3 s PHE 248 CO -0.02 -0.78 1.07 1.03 -0.10 0.00 0.00 175.22 176.42 1ml3 s ARG 249 N 1.58 4.28 0.32 0.44 1.81 0.63 0.29 118.95 128.30 1ml3 s ARG 249 Ca 0.03 1.42 0.10 0.00 -1.72 0.00 0.00 55.73 55.55 1ml3 s ARG 249 Cb -0.18 -3.64 -0.06 0.00 -0.45 0.00 0.00 34.95 30.62 1ml3 s ARG 249 CO -0.14 -0.59 -0.09 0.14 -0.68 0.00 0.00 175.30 173.94 1ml3 s VAL 250 N 3.05 2.47 -0.04 3.52 -7.23 0.39 -0.29 120.40 122.27 1ml3 s VAL 250 Ca 0.46 -2.18 -0.00 0.00 -1.81 0.00 0.00 61.98 58.45 1ml3 s VAL 250 Cb -0.17 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 34.14 1ml3 s VAL 250 CO 0.09 -0.26 0.85 -2.65 -0.31 0.00 0.00 175.10 172.82 1ml3 n PRO 251 N -0.80 0.17 -4.58 4.82 -0.02 -1.26 -2.44 135.00 130.89 1ml3 n PRO 251 Ca -0.05 -0.24 -0.22 0.00 -2.02 0.00 0.00 63.50 60.97 1ml3 n PRO 251 Cb 0.62 -1.70 -0.15 0.00 -0.02 0.00 0.00 33.50 32.26 1ml3 n PRO 251 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ml3 s THR 252 N 3.48 1.18 0.25 3.45 -4.23 -1.26 -4.99 115.64 113.52 1ml3 s THR 252 Ca 0.05 -0.77 0.08 0.00 -1.18 0.00 0.00 61.69 59.86 1ml3 s THR 252 Cb 0.02 -1.01 -0.05 0.00 1.34 0.00 0.00 72.50 72.80 1ml3 s THR 252 CO -0.00 0.22 1.56 1.55 -0.54 0.00 0.00 174.62 177.41 1ml3 h PRO 253 N 5.47 0.09 -3.15 3.99 0.13 -1.87 -0.86 132.00 135.81 1ml3 h PRO 253 Ca -0.36 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1ml3 h PRO 253 Cb 1.17 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.19 1ml3 h PRO 253 CO 0.47 0.71 0.11 0.34 -0.23 0.00 0.00 178.00 179.40 1ml3 s ASP 254 N -6.86 -0.42 0.00 1.44 2.15 -1.26 -4.67 116.67 107.04 1ml3 s ASP 254 Ca -0.02 -0.20 0.00 0.00 0.43 0.00 0.00 52.55 52.76 1ml3 s ASP 254 Cb 0.12 0.57 0.00 0.00 -0.30 0.00 0.00 42.92 43.31 1ml3 s ASP 254 CO 0.78 -0.98 0.00 0.52 -0.17 0.00 0.00 175.17 175.32 1ml3 n VAL 255 N -0.34 -0.84 -4.40 1.11 0.31 -1.26 -4.89 118.33 108.01 1ml3 n VAL 255 Ca -0.15 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 63.97 1ml3 n VAL 255 Cb 0.64 -0.84 -0.09 0.00 -0.91 0.00 0.00 33.84 32.64 1ml3 n VAL 255 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1ml3 s SER 256 N -0.56 2.05 -0.11 4.52 0.01 0.16 -3.87 113.70 115.90 1ml3 s SER 256 Ca 0.00 -1.60 -0.08 0.00 1.31 0.00 0.00 55.95 55.57 1ml3 s SER 256 Cb 0.00 0.41 0.04 0.00 0.21 0.00 0.00 66.02 66.67 1ml3 s SER 256 CO 0.00 -0.90 0.28 0.54 0.41 0.00 0.00 173.24 173.57 1ml3 s VAL 257 N -3.43 -0.01 -0.10 3.43 0.11 -0.61 -1.65 120.40 118.13 1ml3 s VAL 257 Ca 0.32 0.05 -0.15 0.00 -2.93 0.00 0.00 61.98 59.27 1ml3 s VAL 257 Cb 0.04 -0.40 -0.05 0.00 -1.53 0.00 0.00 36.38 34.44 1ml3 s VAL 257 CO 0.17 0.02 0.37 -0.69 -3.33 0.00 0.00 175.10 171.64 1ml3 s VAL 258 N 0.59 5.20 -0.40 2.04 1.01 0.11 -0.87 120.40 128.09 1ml3 s VAL 258 Ca -0.04 0.73 0.03 0.00 0.00 0.00 0.00 61.98 62.70 1ml3 s VAL 258 Cb -0.05 -3.70 0.11 0.00 0.00 0.00 0.00 36.38 32.74 1ml3 s VAL 258 CO -0.03 0.44 0.13 -0.62 0.00 0.00 0.00 175.10 175.01 1ml3 s ASP 259 N -0.01 4.75 -0.20 3.32 2.15 0.25 -1.30 116.67 125.64 1ml3 s ASP 259 Ca 0.21 -2.35 -0.09 0.00 0.43 0.00 0.00 52.55 50.74 1ml3 s ASP 259 Cb -0.15 -1.67 -0.05 0.00 -0.30 0.00 0.00 42.92 40.76 1ml3 s ASP 259 CO 0.08 -0.37 0.12 -0.22 -0.17 0.00 0.00 175.17 174.61 1ml3 s LEU 260 N 0.64 4.08 -0.15 -1.34 2.96 -0.41 -0.84 118.68 123.62 1ml3 s LEU 260 Ca 0.12 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.21 1ml3 s LEU 260 Cb -0.21 -2.06 0.02 0.00 0.50 0.00 0.00 46.19 44.44 1ml3 s LEU 260 CO -0.06 0.16 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.05 1ml3 s THR 261 N 0.49 1.90 0.28 3.68 2.01 -0.17 -0.09 115.64 123.75 1ml3 s THR 261 Ca 0.07 -0.87 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 1ml3 s THR 261 Cb -0.12 -1.71 -0.00 0.00 0.01 0.00 0.00 72.50 70.68 1ml3 s THR 261 CO -0.00 0.52 0.44 0.72 -0.69 0.00 0.00 174.62 175.60 1ml3 s PHE 262 N 1.07 0.71 -0.18 4.92 -0.71 -0.12 -1.01 117.98 122.65 1ml3 s PHE 262 Ca -0.02 -1.02 -0.02 0.00 -1.04 0.00 0.00 56.93 54.84 1ml3 s PHE 262 Cb -0.14 0.01 -0.00 0.00 -1.21 0.00 0.00 43.02 41.68 1ml3 s PHE 262 CO -0.06 -1.01 -0.11 0.95 -1.34 0.00 0.00 175.22 173.65 1ml3 s THR 263 N -3.64 2.93 1.06 -4.49 -4.23 -0.88 -0.25 115.64 106.14 1ml3 s THR 263 Ca 0.27 -0.66 -0.13 0.00 -1.18 0.00 0.00 61.69 60.00 1ml3 s THR 263 Cb 0.00 -2.28 0.23 0.00 1.34 0.00 0.00 72.50 71.79 1ml3 s THR 263 CO 0.13 0.48 1.07 0.00 -0.54 0.00 0.00 174.62 175.76 1ml3 s ALA 264 N 1.12 0.41 -0.20 3.99 0.00 0.50 -0.89 121.76 126.69 1ml3 s ALA 264 Ca 0.01 -0.30 0.21 0.00 0.00 0.00 0.00 51.96 51.87 1ml3 s ALA 264 Cb -0.14 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1ml3 s ALA 264 CO -0.03 -3.22 0.98 0.00 0.00 0.00 0.00 175.76 173.49 1ml3 n ALA 265 N -4.46 2.35 -2.37 0.00 0.00 0.95 -4.38 120.51 112.62 1ml3 n ALA 265 Ca 0.04 -0.32 -0.19 0.00 0.00 0.00 0.00 53.44 52.97 1ml3 n ALA 265 Cb 0.56 -1.07 -0.10 0.00 0.00 0.00 0.00 19.45 18.85 1ml3 n ALA 265 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1ml3 s ARG 266 N -3.24 1.57 0.29 0.00 1.70 -1.16 -5.03 118.95 113.08 1ml3 s ARG 266 Ca -0.01 -1.89 -0.29 0.00 -0.47 0.00 0.00 55.73 53.08 1ml3 s ARG 266 Cb 0.09 -0.33 -0.09 0.00 -0.57 0.00 0.00 34.95 34.05 1ml3 s ARG 266 CO 0.80 -0.36 1.07 -0.51 -1.08 0.00 0.00 175.30 175.21 1ml3 s ASP 267 N -3.39 7.26 0.00 -2.89 1.01 -1.26 -4.80 116.67 112.59 1ml3 s ASP 267 Ca 0.35 2.18 0.00 0.00 0.71 0.00 0.00 52.55 55.80 1ml3 s ASP 267 Cb 0.06 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.37 1ml3 s ASP 267 CO 0.15 -0.14 0.00 0.35 0.21 0.00 0.00 175.17 175.74 1ml3 n THR 268 N 1.05 0.00 -3.65 -1.27 -2.24 -0.55 -5.05 114.28 102.57 1ml3 n THR 268 Ca -0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 1ml3 n THR 268 Cb 0.46 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.62 1ml3 n THR 268 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ml3 s SER 269 N 1.52 -0.33 0.45 3.42 1.04 -1.26 -4.23 113.70 114.31 1ml3 s SER 269 Ca 0.00 0.10 0.13 0.00 0.48 0.00 0.00 55.95 56.66 1ml3 s SER 269 Cb 0.00 0.43 1.01 0.00 0.10 0.00 0.00 66.02 67.56 1ml3 s SER 269 CO 0.00 -0.64 2.01 -0.29 0.98 0.00 0.00 173.24 175.30 1ml3 h ILE 270 N 3.09 1.11 -0.09 -1.02 6.09 -1.94 -2.24 117.51 122.51 1ml3 h ILE 270 Ca -0.31 -0.51 -0.00 0.00 -1.37 0.00 0.00 64.86 62.67 1ml3 h ILE 270 Cb 1.20 1.21 -0.00 0.00 0.47 0.00 0.00 36.82 39.69 1ml3 h ILE 270 CO 0.42 0.15 0.05 1.56 -3.07 0.00 0.00 178.15 177.26 1ml3 h GLN 271 N 0.07 0.12 -0.80 2.19 7.50 -1.97 0.16 115.11 122.38 1ml3 h GLN 271 Ca 0.01 -0.01 0.06 0.00 0.50 0.00 0.00 58.65 59.21 1ml3 h GLN 271 Cb 0.25 -0.02 -0.06 0.00 0.05 0.00 0.00 27.48 27.70 1ml3 h GLN 271 CO 0.02 0.15 0.48 1.49 -1.50 0.00 0.00 178.83 179.47 1ml3 h GLU 272 N 0.06 0.87 -0.41 1.46 4.81 -1.82 0.16 114.58 119.70 1ml3 h GLU 272 Ca 0.03 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1ml3 h GLU 272 Cb 0.06 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1ml3 h GLU 272 CO -0.01 0.57 0.03 0.82 -0.73 0.00 0.00 179.01 179.70 1ml3 h ILE 273 N 0.89 1.25 -0.48 2.32 2.04 -1.11 -2.10 117.51 120.32 1ml3 h ILE 273 Ca 0.35 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1ml3 h ILE 273 Cb 0.15 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1ml3 h ILE 273 CO -0.17 0.33 0.29 -0.78 0.00 0.00 0.00 178.15 177.82 1ml3 h ASP 274 N 0.55 0.58 -0.82 1.72 3.58 0.13 -1.65 116.42 120.51 1ml3 h ASP 274 Ca 0.12 -0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 1ml3 h ASP 274 Cb 0.44 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.30 1ml3 h ASP 274 CO 0.02 0.46 0.38 0.00 -2.88 0.00 0.00 179.24 177.22 1ml3 h ALA 275 N 1.14 1.06 -0.16 -0.78 0.00 -0.62 -2.61 119.26 117.30 1ml3 h ALA 275 Ca 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ml3 h ALA 275 Cb -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1ml3 h ALA 275 CO -0.03 0.64 0.03 0.00 0.00 0.00 0.00 179.25 179.88 1ml3 h ALA 276 N 1.20 0.21 -0.65 0.00 0.00 -1.04 -1.44 119.26 117.54 1ml3 h ALA 276 Ca 0.28 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1ml3 h ALA 276 Cb 0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1ml3 h ALA 276 CO -0.03 -0.12 0.41 -0.07 0.00 0.00 0.00 179.25 179.43 1ml3 h LEU 277 N 0.05 0.68 -0.24 0.00 3.38 -1.24 -0.24 115.31 117.70 1ml3 h LEU 277 Ca 0.05 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ml3 h LEU 277 Cb 0.30 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1ml3 h LEU 277 CO 0.00 0.48 0.11 0.11 0.09 0.00 0.00 178.44 179.23 1ml3 h LYS 278 N 0.82 0.35 -0.83 1.13 1.57 -1.40 0.03 116.57 118.23 1ml3 h LYS 278 Ca 0.26 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1ml3 h LYS 278 Cb -0.01 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1ml3 h LYS 278 CO -0.09 0.37 0.55 -0.09 -0.57 0.00 0.00 179.45 179.61 1ml3 h ARG 279 N 0.25 1.08 -0.12 3.15 2.43 -0.98 -1.90 114.38 118.30 1ml3 h ARG 279 Ca 0.08 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 59.02 1ml3 h ARG 279 Cb 0.14 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1ml3 h ARG 279 CO -0.01 0.72 -0.64 0.00 -1.51 0.00 0.00 179.97 178.52 1ml3 h ALA 280 N 1.49 0.66 -0.15 2.80 0.00 -0.68 -2.47 119.26 120.91 1ml3 h ALA 280 Ca 0.31 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1ml3 h ALA 280 Cb -0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ml3 h ALA 280 CO -0.07 0.72 -0.33 0.66 0.00 0.00 0.00 179.25 180.24 1ml3 h SER 281 N 0.33 0.30 1.09 0.00 4.64 -0.54 0.18 113.55 119.56 1ml3 h SER 281 Ca -0.01 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1ml3 h SER 281 Cb 1.20 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1ml3 h SER 281 CO 0.11 0.62 0.00 0.29 -0.87 0.00 0.00 176.83 176.98 1ml3 n LYS 282 N -4.09 0.08 0.00 4.77 5.02 -0.75 -2.74 118.16 120.44 1ml3 n LYS 282 Ca -0.01 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1ml3 n LYS 282 Cb 0.43 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 1ml3 n LYS 282 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ml3 n THR 283 N -1.74 0.00 1.15 -0.18 -2.24 -0.84 -4.83 114.28 105.60 1ml3 n THR 283 Ca 0.06 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 1ml3 n THR 283 Cb 0.35 0.00 0.63 0.00 -2.10 0.00 0.00 70.33 69.21 1ml3 n THR 283 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ml3 n TYR 284 N 0.00 0.00 0.02 4.78 4.11 -1.14 -2.90 117.16 122.02 1ml3 n TYR 284 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 57.95 1ml3 n TYR 284 Cb 0.00 -0.33 0.10 0.00 -0.00 0.00 0.00 39.34 39.11 1ml3 n TYR 284 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 1ml3 n MET 285 N -1.33 2.10 -1.65 -3.48 2.81 0.58 -4.98 117.12 111.16 1ml3 n MET 285 Ca 0.11 -1.70 -0.49 0.00 -1.81 0.00 0.00 57.70 53.81 1ml3 n MET 285 Cb 0.23 -1.22 -0.05 0.00 -0.71 0.00 0.00 33.22 31.47 1ml3 n MET 285 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1ml3 n LYS 286 N 0.43 1.77 0.00 0.03 4.81 -1.11 0.19 118.16 124.28 1ml3 n LYS 286 Ca 0.09 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1ml3 n LYS 286 Cb 0.35 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.02 1ml3 n LYS 286 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ml3 n GLY 287 N 3.44 3.11 0.34 3.14 0.00 -1.26 -4.77 105.19 109.20 1ml3 n GLY 287 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1ml3 n GLY 287 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ml3 n ILE 288 N -1.16 1.22 -4.49 -0.61 2.08 0.19 -4.36 119.36 112.23 1ml3 n ILE 288 Ca 0.00 -0.20 -0.33 0.00 0.56 0.00 0.00 62.75 62.78 1ml3 n ILE 288 Cb 0.00 -1.86 -0.13 0.00 -0.75 0.00 0.00 39.64 36.90 1ml3 n ILE 288 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1ml3 s LEU 289 N -7.25 3.10 0.31 1.39 2.96 0.13 0.19 118.68 119.51 1ml3 s LEU 289 Ca -0.28 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.47 1ml3 s LEU 289 Cb 0.10 -1.74 -0.06 0.00 0.50 0.00 0.00 46.19 44.99 1ml3 s LEU 289 CO 0.36 0.16 0.06 -0.83 -1.32 0.00 0.00 176.35 174.79 1ml3 s GLY 290 N 0.39 2.01 0.15 7.98 0.00 0.92 -4.44 107.32 114.33 1ml3 s GLY 290 Ca -0.06 -2.03 -0.03 0.00 0.00 0.00 0.00 44.72 42.60 1ml3 s GLY 290 CO 0.04 -1.78 0.13 -2.52 0.00 0.00 0.00 173.10 168.97 1ml3 s TYR 291 N -3.37 0.75 0.07 1.90 1.13 -1.26 0.11 117.35 116.67 1ml3 s TYR 291 Ca 0.37 -1.11 0.00 0.00 -1.41 0.00 0.00 57.07 54.92 1ml3 s TYR 291 Cb 0.09 -0.36 -0.04 0.00 -1.10 0.00 0.00 41.96 40.55 1ml3 s TYR 291 CO 0.15 -0.59 -0.04 -0.08 -2.51 0.00 0.00 175.55 172.47 1ml3 s THR 292 N -4.03 0.42 -0.01 -3.49 -1.32 0.68 -4.84 115.64 103.05 1ml3 s THR 292 Ca 0.23 -1.86 0.07 0.00 -1.21 0.00 0.00 61.69 58.92 1ml3 s THR 292 Cb 0.06 -1.59 0.11 0.00 -1.51 0.00 0.00 72.50 69.58 1ml3 s THR 292 CO 0.02 -0.95 1.05 -0.90 -2.21 0.00 0.00 174.62 171.63 1ml3 n ASP 293 N 0.05 0.32 -4.80 8.08 3.85 -1.26 -1.25 116.55 121.54 1ml3 n ASP 293 Ca -0.13 -2.05 -0.22 0.00 -0.71 0.00 0.00 54.79 51.68 1ml3 n ASP 293 Cb 0.61 -0.23 -0.05 0.00 -1.35 0.00 0.00 41.12 40.10 1ml3 n ASP 293 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1ml3 s GLU 294 N -0.11 2.51 -1.19 0.11 2.02 -1.26 -4.72 118.70 116.06 1ml3 s GLU 294 Ca 0.09 -1.49 -0.18 0.00 0.02 0.00 0.00 54.97 53.42 1ml3 s GLU 294 Cb 0.10 -2.30 -0.03 0.00 0.10 0.00 0.00 34.13 32.00 1ml3 s GLU 294 CO -0.04 0.03 2.07 0.39 0.02 0.00 0.00 175.26 177.72 1ml3 n GLU 295 N -1.31 2.34 -3.38 1.61 -0.58 -1.26 -4.87 120.64 113.18 1ml3 n GLU 295 Ca -0.01 -2.38 -0.29 0.00 -0.42 0.00 0.00 57.16 54.05 1ml3 n GLU 295 Cb 0.61 -3.20 -0.04 0.00 -0.57 0.00 0.00 31.44 28.25 1ml3 n GLU 295 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ml3 s LEU 296 N 2.45 4.10 0.39 -4.62 1.43 -1.26 -5.11 118.68 116.06 1ml3 s LEU 296 Ca 0.52 0.74 0.04 0.00 -1.03 0.00 0.00 54.13 54.40 1ml3 s LEU 296 Cb 0.13 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 1ml3 s LEU 296 CO 0.01 -0.15 0.06 0.68 0.23 0.00 0.00 176.35 177.17 1ml3 s VAL 297 N -2.00 1.19 0.21 -1.59 -7.23 -1.26 -5.05 120.40 104.68 1ml3 s VAL 297 Ca 0.44 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.48 1ml3 s VAL 297 Cb -0.11 -2.62 0.24 0.00 0.56 0.00 0.00 36.38 34.45 1ml3 s VAL 297 CO 0.28 0.00 1.63 0.77 -0.31 0.00 0.00 175.10 177.47 1ml3 h SER 298 N 1.84 -0.56 -0.82 4.85 4.64 -1.97 -0.99 113.55 120.54 1ml3 h SER 298 Ca -0.41 0.19 0.23 0.00 -0.47 0.00 0.00 61.79 61.34 1ml3 h SER 298 Cb 1.26 0.39 -0.03 0.00 -0.31 0.00 0.00 62.40 63.70 1ml3 h SER 298 CO 0.69 -0.20 0.59 0.00 -0.87 0.00 0.00 176.83 177.04 1ml3 h ALA 299 N 1.64 2.74 0.00 5.18 0.00 -1.97 -0.92 119.26 125.93 1ml3 h ALA 299 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1ml3 h ALA 299 Cb 0.48 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ml3 h ALA 299 CO -0.65 -0.98 0.00 -0.25 0.00 0.00 0.00 179.25 177.37 1ml3 n ASP 300 N -4.30 0.18 -0.64 0.00 8.00 -0.38 -2.51 116.55 116.90 1ml3 n ASP 300 Ca 0.17 0.54 0.11 0.00 0.71 0.00 0.00 54.79 56.31 1ml3 n ASP 300 Cb 0.88 -0.58 0.03 0.00 -0.02 0.00 0.00 41.12 41.43 1ml3 n ASP 300 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ml3 n PHE 301 N -1.69 0.00 -1.69 1.24 3.01 -0.35 -4.89 117.46 113.09 1ml3 n PHE 301 Ca 0.04 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.06 1ml3 n PHE 301 Cb 0.23 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.67 1ml3 n PHE 301 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1ml3 n ILE 302 N 0.46 0.05 -1.20 4.37 5.41 -1.04 -0.94 119.36 126.46 1ml3 n ILE 302 Ca 0.11 -0.01 -0.07 0.00 1.00 0.00 0.00 62.75 63.78 1ml3 n ILE 302 Cb 0.50 -1.79 -0.03 0.00 -0.71 0.00 0.00 39.64 37.61 1ml3 n ILE 302 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1ml3 n ASN 303 N 3.94 -4.27 -4.71 4.38 3.02 -1.26 -5.00 115.26 111.37 1ml3 n ASN 303 Ca 0.17 0.17 -0.42 0.00 -0.03 0.00 0.00 54.58 54.47 1ml3 n ASN 303 Cb 0.32 -2.36 -0.03 0.00 -0.61 0.00 0.00 39.78 37.10 1ml3 n ASN 303 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ml3 s ASP 304 N -2.61 7.30 0.00 6.41 -1.08 -0.12 -4.94 116.67 121.63 1ml3 s ASP 304 Ca 0.00 1.57 0.20 0.00 -0.52 0.00 0.00 52.55 53.81 1ml3 s ASP 304 Cb 0.00 -2.54 0.60 0.00 -1.46 0.00 0.00 42.92 39.51 1ml3 s ASP 304 CO 0.00 -0.25 1.47 -0.46 0.52 0.00 0.00 175.17 176.45 1ml3 n ASN 305 N 3.98 2.31 -4.83 -0.34 2.04 -1.26 -3.55 115.26 113.61 1ml3 n ASN 305 Ca 0.05 -1.84 -0.31 0.00 -0.44 0.00 0.00 54.58 52.04 1ml3 n ASN 305 Cb 0.51 -0.18 0.03 0.00 -2.53 0.00 0.00 39.78 37.61 1ml3 n ASN 305 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1ml3 s ARG 306 N -1.65 3.24 0.28 -3.83 3.00 -1.26 -4.61 118.95 114.11 1ml3 s ARG 306 Ca 0.34 0.95 0.16 0.00 0.00 0.00 0.00 55.73 57.18 1ml3 s ARG 306 Cb 0.19 -2.03 0.08 0.00 0.00 0.00 0.00 34.95 33.18 1ml3 s ARG 306 CO 0.27 -0.86 1.39 0.77 0.00 0.00 0.00 175.30 176.88 1ml3 h SER 307 N -0.29 0.00 -3.05 0.23 0.02 -0.46 -3.40 113.55 106.61 1ml3 h SER 307 Ca -0.45 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 1ml3 h SER 307 Cb 1.20 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.52 1ml3 h SER 307 CO 0.58 0.43 -0.08 -0.55 -1.14 0.00 0.00 176.83 176.08 1ml3 s SER 308 N -6.33 -0.82 -0.38 3.07 0.15 -0.90 -3.71 113.70 104.77 1ml3 s SER 308 Ca 0.04 1.33 0.03 0.00 0.70 0.00 0.00 55.95 58.04 1ml3 s SER 308 Cb 0.07 1.22 0.11 0.00 -1.71 0.00 0.00 66.02 65.71 1ml3 s SER 308 CO 0.74 -0.23 0.11 -0.63 1.20 0.00 0.00 173.24 174.44 1ml3 s ILE 309 N 1.60 2.53 0.24 6.45 1.09 0.36 -0.05 121.20 133.41 1ml3 s ILE 309 Ca -0.10 -2.43 -0.31 0.00 -1.10 0.00 0.00 60.65 56.70 1ml3 s ILE 309 Cb -0.06 -2.82 -0.13 0.00 -1.06 0.00 0.00 42.46 38.39 1ml3 s ILE 309 CO -0.18 -0.65 1.52 0.00 -0.10 0.00 0.00 174.94 175.54 1ml3 n TYR 310 N 4.15 2.45 -3.39 3.97 9.36 0.30 -0.95 117.16 133.05 1ml3 n TYR 310 Ca 0.03 0.31 -0.45 0.00 3.32 0.00 0.00 57.90 61.11 1ml3 n TYR 310 Cb 0.41 -2.54 -0.03 0.00 -0.63 0.00 0.00 39.34 36.55 1ml3 n TYR 310 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1ml3 s ASP 311 N 0.54 6.51 0.11 2.98 -1.08 0.11 -0.23 116.67 125.61 1ml3 s ASP 311 Ca 0.69 -2.68 -0.24 0.00 -0.52 0.00 0.00 52.55 49.80 1ml3 s ASP 311 Cb -0.59 -2.15 -0.09 0.00 -1.46 0.00 0.00 42.92 38.63 1ml3 s ASP 311 CO 0.46 -0.55 1.69 -1.28 0.52 0.00 0.00 175.17 176.00 1ml3 h SER 312 N 7.70 -0.34 -0.32 -0.34 0.87 -1.46 -1.31 113.55 118.35 1ml3 h SER 312 Ca 0.07 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1ml3 h SER 312 Cb 1.03 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 63.10 1ml3 h SER 312 CO 0.76 -0.17 0.13 0.11 -0.53 0.00 0.00 176.83 177.12 1ml3 h LYS 313 N -0.21 0.27 -0.26 2.24 1.79 -1.85 0.11 116.57 118.67 1ml3 h LYS 313 Ca 0.04 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.42 1ml3 h LYS 313 Cb 0.26 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1ml3 h LYS 313 CO -0.11 0.18 -0.14 0.00 -1.08 0.00 0.00 179.45 178.31 1ml3 h ALA 314 N 1.19 1.29 0.29 3.86 0.00 -1.91 -1.36 119.26 122.62 1ml3 h ALA 314 Ca 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1ml3 h ALA 314 Cb 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ml3 h ALA 314 CO -0.13 0.47 -0.14 1.15 0.00 0.00 0.00 179.25 180.61 1ml3 h THR 315 N 0.40 0.25 -0.56 0.00 2.02 -0.71 -3.09 112.91 111.22 1ml3 h THR 315 Ca 0.07 -0.81 0.09 0.00 0.77 0.00 0.00 66.41 66.54 1ml3 h THR 315 Cb 0.48 0.42 -0.07 0.00 -1.74 0.00 0.00 68.15 67.24 1ml3 h THR 315 CO 0.03 0.07 0.15 -0.07 0.37 0.00 0.00 175.52 176.06 1ml3 h LEU 316 N -1.05 0.08 -0.13 2.58 3.38 -0.81 -2.01 115.31 117.35 1ml3 h LEU 316 Ca -0.04 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ml3 h LEU 316 Cb 0.40 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1ml3 h LEU 316 CO 0.06 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.65 1ml3 n GLN 317 N -5.08 0.04 -0.54 1.13 6.02 -0.52 -3.76 117.38 114.68 1ml3 n GLN 317 Ca 0.07 0.26 0.07 0.00 -0.01 0.00 0.00 57.00 57.39 1ml3 n GLN 317 Cb 0.27 -1.58 0.15 0.00 1.02 0.00 0.00 30.24 30.11 1ml3 n GLN 317 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1ml3 n ASN 318 N -1.65 1.68 -4.70 1.08 3.02 -0.76 -5.04 115.26 108.89 1ml3 n ASN 318 Ca 0.04 -3.26 -0.24 0.00 -0.03 0.00 0.00 54.58 51.09 1ml3 n ASN 318 Cb 0.20 -0.44 -0.07 0.00 -0.61 0.00 0.00 39.78 38.86 1ml3 n ASN 318 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1ml3 s ASN 319 N -2.79 4.90 0.11 6.41 0.01 -1.21 -4.91 114.94 117.46 1ml3 s ASN 319 Ca 0.33 -0.44 -0.31 0.00 -0.71 0.00 0.00 52.86 51.72 1ml3 s ASN 319 Cb 0.31 -1.06 -0.10 0.00 0.41 0.00 0.00 41.25 40.81 1ml3 s ASN 319 CO -0.05 0.03 1.77 -0.76 -1.51 0.00 0.00 177.10 176.58 1ml3 s LEU 320 N -3.44 4.39 0.15 0.60 1.43 -1.26 -4.91 118.68 115.65 1ml3 s LEU 320 Ca 0.30 2.67 -0.32 0.00 -1.03 0.00 0.00 54.13 55.76 1ml3 s LEU 320 Cb -0.08 -3.57 -0.12 0.00 0.03 0.00 0.00 46.19 42.46 1ml3 s LEU 320 CO 0.21 -0.97 1.75 -0.81 0.23 0.00 0.00 176.35 176.76 1ml3 n PRO 321 N 5.65 2.64 -0.89 1.29 -0.04 -1.26 -1.89 135.00 140.50 1ml3 n PRO 321 Ca 0.17 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.59 1ml3 n PRO 321 Cb 0.39 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 1ml3 n PRO 321 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ml3 n LYS 322 N 4.66 -0.06 -1.58 0.54 5.02 -1.26 -4.99 118.16 120.48 1ml3 n LYS 322 Ca 0.17 0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 56.11 1ml3 n LYS 322 Cb 0.34 -3.08 0.07 0.00 -0.02 0.00 0.00 35.03 32.34 1ml3 n LYS 322 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1ml3 n GLU 323 N -2.00 0.83 0.00 1.97 4.07 -0.79 -4.96 120.64 119.76 1ml3 n GLU 323 Ca 0.00 0.33 0.00 0.00 -0.06 0.00 0.00 57.16 57.43 1ml3 n GLU 323 Cb 0.02 -2.28 0.00 0.00 -0.06 0.00 0.00 31.44 29.11 1ml3 n GLU 323 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1ml3 n ARG 324 N -1.52 2.27 0.00 5.31 1.74 -1.26 -4.39 116.66 118.80 1ml3 n ARG 324 Ca 0.14 -0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1ml3 n ARG 324 Cb 0.48 -0.61 0.00 0.00 -1.02 0.00 0.00 32.46 31.31 1ml3 n ARG 324 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ml3 n ARG 325 N -0.37 0.00 -3.14 5.56 5.12 -1.26 -1.48 116.66 121.09 1ml3 n ARG 325 Ca 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 1ml3 n ARG 325 Cb 0.03 -0.42 -0.07 0.00 -1.16 0.00 0.00 32.46 30.85 1ml3 n ARG 325 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1ml3 s PHE 326 N -1.36 3.05 0.29 -1.55 5.36 -1.26 -0.37 117.98 122.14 1ml3 s PHE 326 Ca 0.00 -0.30 0.04 0.00 -0.96 0.00 0.00 56.93 55.72 1ml3 s PHE 326 Cb 0.00 -3.42 -0.06 0.00 -0.34 0.00 0.00 43.02 39.20 1ml3 s PHE 326 CO 0.00 -0.95 0.02 -0.06 -1.46 0.00 0.00 175.22 172.77 1ml3 s PHE 327 N 2.73 1.84 -0.04 10.12 0.08 0.65 -4.75 117.98 128.62 1ml3 s PHE 327 Ca 0.19 -0.90 0.03 0.00 0.12 0.00 0.00 56.93 56.37 1ml3 s PHE 327 Cb -0.16 -1.14 0.00 0.00 -0.57 0.00 0.00 43.02 41.15 1ml3 s PHE 327 CO 0.15 0.04 -0.11 0.21 -0.10 0.00 0.00 175.22 175.41 1ml3 s LYS 328 N -3.85 1.27 -0.07 0.44 2.20 -1.26 -0.95 119.74 117.52 1ml3 s LYS 328 Ca 0.33 -0.39 0.01 0.00 -0.36 0.00 0.00 55.97 55.56 1ml3 s LYS 328 Cb 0.07 -1.14 0.02 0.00 -1.51 0.00 0.00 37.83 35.27 1ml3 s LYS 328 CO 0.13 0.13 -0.08 0.42 -0.36 0.00 0.00 175.35 175.59 1ml3 s ILE 329 N 0.25 0.85 -0.19 5.43 1.01 0.87 -4.87 121.20 124.56 1ml3 s ILE 329 Ca -0.05 -0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.25 1ml3 s ILE 329 Cb -0.11 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 1ml3 s ILE 329 CO 0.01 0.30 0.06 -0.69 0.00 0.00 0.00 174.94 174.63 1ml3 s VAL 330 N 1.04 4.71 -0.05 2.92 1.01 -1.26 -1.29 120.40 127.47 1ml3 s VAL 330 Ca -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 1ml3 s VAL 330 Cb -0.14 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.14 1ml3 s VAL 330 CO -0.00 0.44 0.12 -0.55 0.00 0.00 0.00 175.10 175.11 1ml3 s SER 331 N 0.56 -0.08 0.50 3.32 0.15 -0.42 -0.71 113.70 117.02 1ml3 s SER 331 Ca 0.03 0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.95 1ml3 s SER 331 Cb -0.13 0.15 0.02 0.00 -1.71 0.00 0.00 66.02 64.35 1ml3 s SER 331 CO 0.01 -0.13 0.72 0.26 1.20 0.00 0.00 173.24 175.30 1ml3 s TRP 332 N 0.99 2.97 -0.26 3.44 0.52 -0.12 0.09 118.94 126.56 1ml3 s TRP 332 Ca -0.08 0.02 -0.26 0.00 0.02 0.00 0.00 56.10 55.80 1ml3 s TRP 332 Cb -0.10 -2.57 0.13 0.00 -1.15 0.00 0.00 33.47 29.78 1ml3 s TRP 332 CO -0.05 -0.65 1.06 1.52 0.02 0.00 0.00 176.95 178.85 1ml3 s TYR 333 N -2.64 -0.43 -0.93 -1.98 1.13 -0.66 -0.49 117.35 111.35 1ml3 s TYR 333 Ca 0.54 1.00 -0.19 0.00 -1.41 0.00 0.00 57.07 57.00 1ml3 s TYR 333 Cb -0.10 0.39 0.12 0.00 -1.10 0.00 0.00 41.96 41.27 1ml3 s TYR 333 CO 0.37 -0.23 1.15 0.34 -2.51 0.00 0.00 175.55 174.67 1ml3 s ASP 334 N -0.01 6.60 0.38 -0.18 -1.08 -1.26 -0.66 116.67 120.46 1ml3 s ASP 334 Ca 0.03 -1.96 0.06 0.00 -0.52 0.00 0.00 52.55 50.16 1ml3 s ASP 334 Cb -0.04 -2.41 0.34 0.00 -1.46 0.00 0.00 42.92 39.35 1ml3 s ASP 334 CO -0.06 -1.11 1.03 -0.55 0.52 0.00 0.00 175.17 175.00 1ml3 h ASN 335 N 8.94 0.00 0.00 -0.34 -1.07 -1.90 -1.27 115.58 119.94 1ml3 h ASN 335 Ca 0.15 0.00 -0.36 0.00 0.07 0.00 0.00 56.30 56.15 1ml3 h ASN 335 Cb 1.02 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 37.22 1ml3 h ASN 335 CO 1.13 0.00 -2.28 -0.62 0.07 0.00 0.00 177.43 175.74 1ml3 n GLU 336 N -1.99 0.52 -0.03 4.14 1.02 -1.26 -4.53 120.64 118.50 1ml3 n GLU 336 Ca -0.00 0.18 -0.13 0.00 -0.02 0.00 0.00 57.16 57.18 1ml3 n GLU 336 Cb 0.61 -1.38 -0.11 0.00 -0.02 0.00 0.00 31.44 30.54 1ml3 n GLU 336 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1ml3 h TRP 337 N -0.47 -0.02 0.68 -0.32 2.91 -1.57 -2.82 115.95 114.35 1ml3 h TRP 337 Ca -0.55 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.44 1ml3 h TRP 337 Cb 1.62 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 30.27 1ml3 h TRP 337 CO -0.03 0.68 -0.49 0.78 -1.03 0.00 0.00 178.44 178.34 1ml3 h GLY 338 N -0.73 -1.31 0.06 2.65 0.00 -1.42 -2.12 103.07 100.20 1ml3 h GLY 338 Ca -0.00 0.56 0.21 0.00 0.00 0.00 0.00 47.33 48.10 1ml3 h GLY 338 CO 0.00 -0.42 0.61 -1.82 0.00 0.00 0.00 176.54 174.91 1ml3 h TYR 339 N -1.12 1.04 -0.47 5.60 5.03 -1.74 0.99 116.97 126.29 1ml3 h TYR 339 Ca -0.09 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.20 1ml3 h TYR 339 Cb 0.92 -0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.87 1ml3 h TYR 339 CO -0.16 0.19 0.08 0.77 -1.32 0.00 0.00 178.16 177.72 1ml3 h SER 340 N 0.71 0.68 0.51 -2.11 0.02 -1.22 -1.28 113.55 110.86 1ml3 h SER 340 Ca 0.59 -0.13 -0.16 0.00 -0.84 0.00 0.00 61.79 61.26 1ml3 h SER 340 Cb 1.00 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 1ml3 h SER 340 CO -0.40 0.70 -0.69 0.45 -1.14 0.00 0.00 176.83 175.75 1ml3 h HIS 341 N 0.70 0.21 -0.35 3.45 3.86 -0.18 -2.95 115.15 119.89 1ml3 h HIS 341 Ca 0.15 -0.09 -0.07 0.00 -1.16 0.00 0.00 60.37 59.20 1ml3 h HIS 341 Cb 0.32 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1ml3 h HIS 341 CO 0.02 0.80 -0.06 0.00 0.86 0.00 0.00 177.93 179.55 1ml3 h ARG 342 N 0.11 0.66 -0.15 2.45 2.47 -0.66 -0.43 114.38 118.82 1ml3 h ARG 342 Ca -0.02 -0.24 0.05 0.00 -1.26 0.00 0.00 59.98 58.51 1ml3 h ARG 342 Cb 1.23 -0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 29.44 1ml3 h ARG 342 CO 0.10 0.81 -0.37 0.28 0.56 0.00 0.00 179.97 181.35 1ml3 h VAL 343 N 0.46 0.21 -0.83 2.04 2.07 -1.20 0.53 116.25 119.53 1ml3 h VAL 343 Ca 0.09 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.71 1ml3 h VAL 343 Cb 0.55 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 1ml3 h VAL 343 CO 0.03 0.00 0.48 0.58 0.02 0.00 0.00 177.57 178.67 1ml3 h VAL 344 N -0.43 0.90 -0.77 2.57 2.07 -1.41 -1.02 116.25 118.15 1ml3 h VAL 344 Ca 0.09 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1ml3 h VAL 344 Cb 0.59 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1ml3 h VAL 344 CO -0.39 0.14 0.42 0.44 0.02 0.00 0.00 177.57 178.20 1ml3 h ASP 345 N 0.79 0.96 -0.39 0.57 3.32 0.96 -1.24 116.42 121.38 1ml3 h ASP 345 Ca 0.40 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.32 1ml3 h ASP 345 Cb 0.38 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1ml3 h ASP 345 CO -0.25 0.78 0.05 0.25 -1.72 0.00 0.00 179.24 178.34 1ml3 h LEU 346 N 1.08 0.64 -0.48 1.55 5.85 0.12 0.04 115.31 124.11 1ml3 h LEU 346 Ca 0.27 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1ml3 h LEU 346 Cb 0.03 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1ml3 h LEU 346 CO -0.04 0.76 0.28 0.58 -0.34 0.00 0.00 178.44 179.67 1ml3 h VAL 347 N 0.50 1.16 -0.80 1.05 2.07 -0.97 0.91 116.25 120.18 1ml3 h VAL 347 Ca 0.12 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1ml3 h VAL 347 Cb 0.40 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1ml3 h VAL 347 CO 0.01 0.17 0.34 0.03 0.02 0.00 0.00 177.57 178.14 1ml3 h ARG 348 N 0.64 1.17 0.31 1.57 3.08 -1.07 0.09 114.38 120.18 1ml3 h ARG 348 Ca 0.17 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1ml3 h ARG 348 Cb 0.03 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1ml3 h ARG 348 CO -0.03 0.93 -0.15 1.25 -1.07 0.00 0.00 179.97 180.90 1ml3 h HIS 349 N 1.15 -0.39 0.41 3.04 2.76 -0.40 -2.41 115.15 119.32 1ml3 h HIS 349 Ca 0.27 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.42 1ml3 h HIS 349 Cb 0.18 0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 1ml3 h HIS 349 CO 0.02 -0.14 -0.45 0.52 -1.30 0.00 0.00 177.93 176.58 1ml3 h MET 350 N -0.59 -0.84 -0.89 5.26 2.86 -0.66 -1.31 114.93 118.76 1ml3 h MET 350 Ca -0.04 0.06 0.32 0.00 -2.06 0.00 0.00 59.70 57.98 1ml3 h MET 350 Cb 0.43 0.19 -0.16 0.00 0.06 0.00 0.00 31.60 32.12 1ml3 h MET 350 CO 0.07 -0.56 0.30 0.00 1.06 0.00 0.00 176.91 177.78 1ml3 n ALA 351 N -2.76 0.74 0.25 6.32 0.00 0.00 -0.55 120.51 124.51 1ml3 n ALA 351 Ca -0.10 0.93 -0.14 0.00 0.00 0.00 0.00 53.44 54.12 1ml3 n ALA 351 Cb 0.40 -0.83 -0.08 0.00 0.00 0.00 0.00 19.45 18.95 1ml3 n ALA 351 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ml3 h SER 352 N 0.00 -0.56 -0.29 0.00 0.87 -0.74 -2.87 113.55 109.97 1ml3 h SER 352 Ca 0.67 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 61.12 1ml3 h SER 352 Cb 1.66 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.74 1ml3 h SER 352 CO -0.75 -0.22 0.05 0.11 -0.53 0.00 0.00 176.83 175.49 1ml3 h LYS 353 N -0.92 0.58 -0.91 2.24 1.79 0.08 -2.10 116.57 117.32 1ml3 h LYS 353 Ca -0.07 -0.11 -0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1ml3 h LYS 353 Cb 0.60 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.11 1ml3 h LYS 353 CO 0.11 0.57 0.56 -0.44 -1.08 0.00 0.00 179.45 179.17 1ml3 h ASP 354 N 0.56 1.08 -0.04 0.86 3.32 -0.85 -1.42 116.42 119.93 1ml3 h ASP 354 Ca 0.12 -0.06 -0.22 0.00 0.02 0.00 0.00 57.03 56.90 1ml3 h ASP 354 Cb 0.29 -0.27 0.02 0.00 0.22 0.00 0.00 39.33 39.58 1ml3 h ASP 354 CO 0.00 0.82 -0.82 0.03 -1.72 0.00 0.00 179.24 177.56 1ml3 h ARG 355 N 1.25 0.63 0.00 3.56 2.47 -1.26 -3.17 114.38 117.86 1ml3 h ARG 355 Ca 0.33 -0.62 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 1ml3 h ARG 355 Cb -0.07 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1ml3 h ARG 355 CO -0.06 1.23 0.00 1.03 0.56 0.00 0.00 179.97 182.72 1ml3 h SER 356 N 0.26 0.00 0.29 7.04 0.87 -1.26 -1.07 113.55 119.68 1ml3 h SER 356 Ca -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1ml3 h SER 356 Cb 1.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.44 1ml3 h SER 356 CO 0.16 0.00 -0.13 0.00 -0.53 0.00 0.00 176.83 176.34 1ml3 n ALA 357 N -2.05 2.81 -2.73 6.23 0.00 -0.55 -3.82 120.51 120.40 1ml3 n ALA 357 Ca -0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 53.44 53.09 1ml3 n ALA 357 Cb 0.24 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 18.44 1ml3 n ALA 357 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ml3 n ARG 358 N -0.79 1.74 0.00 0.00 1.74 -0.43 -5.09 116.66 113.83 1ml3 n ARG 358 Ca 0.15 -3.51 0.00 0.00 -0.77 0.00 0.00 57.85 53.72 1ml3 n ARG 358 Cb 0.29 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1ml3 n ARG 358 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39