#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ua2 n LYS 14 N 0.00 0.03 0.00 3.49 5.02 -1.26 -3.96 118.16 121.48 1ua2 n LYS 14 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ua2 n LYS 14 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1ua2 n LYS 14 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ua2 n LEU 15 N 0.94 0.00 0.00 -0.35 7.94 -1.26 -4.54 117.00 119.74 1ua2 n LEU 15 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1ua2 n LEU 15 Cb 0.01 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.96 1ua2 n LEU 15 CO 0.00 0.00 0.00 0.47 -1.11 0.00 0.00 177.39 176.75 1ua2 n ASP 16 N 0.00 0.06 -3.73 1.96 8.00 -1.26 -5.00 116.55 116.59 1ua2 n ASP 16 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1ua2 n ASP 16 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 1ua2 n ASP 16 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1ua2 s PHE 17 N 1.52 -0.28 -0.44 1.24 5.36 -1.26 -3.94 117.98 120.18 1ua2 s PHE 17 Ca 0.00 0.70 0.16 0.00 -0.96 0.00 0.00 56.93 56.83 1ua2 s PHE 17 Cb 0.00 -0.02 -0.21 0.00 -0.34 0.00 0.00 43.02 42.45 1ua2 s PHE 17 CO 0.00 -0.22 0.54 1.28 -1.46 0.00 0.00 175.22 175.36 1ua2 n LEU 18 N 4.38 0.43 0.00 6.12 4.77 0.14 -4.83 117.00 128.00 1ua2 n LEU 18 Ca -0.23 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1ua2 n LEU 18 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1ua2 n LEU 18 CO 0.14 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1ua2 n GLY 19 N 1.46 2.74 3.91 -0.72 0.00 -1.04 -4.97 105.19 106.57 1ua2 n GLY 19 Ca 0.00 -1.99 -0.20 0.00 0.00 0.00 0.00 46.02 43.83 1ua2 n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ua2 s GLU 20 N -1.96 2.84 0.22 1.61 1.03 -1.26 -0.31 118.70 120.87 1ua2 s GLU 20 Ca 0.00 -1.23 0.02 0.00 0.03 0.00 0.00 54.97 53.80 1ua2 s GLU 20 Cb 0.00 -2.59 -0.05 0.00 -0.80 0.00 0.00 34.13 30.69 1ua2 s GLU 20 CO 0.00 0.04 0.03 0.20 -1.33 0.00 0.00 175.26 174.20 1ua2 s GLY 21 N -4.08 1.52 0.00 -3.83 0.00 0.72 -4.92 107.32 96.72 1ua2 s GLY 21 Ca 0.44 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.41 1ua2 s GLY 21 CO 0.28 -1.61 0.00 -1.06 0.00 0.00 0.00 173.10 170.71 1ua2 n GLN 22 N -0.38 0.00 -1.57 2.90 6.02 -1.26 -0.46 117.38 122.62 1ua2 n GLN 22 Ca -0.04 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.91 1ua2 n GLN 22 Cb 0.64 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.99 1ua2 n GLN 22 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1ua2 n PHE 23 N -2.44 1.00 -3.49 1.08 3.01 -1.26 -3.06 117.46 112.29 1ua2 n PHE 23 Ca 0.00 -1.61 -0.10 0.00 1.01 0.00 0.00 57.45 56.76 1ua2 n PHE 23 Cb 0.00 -0.25 -0.02 0.00 -0.01 0.00 0.00 39.48 39.20 1ua2 n PHE 23 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ua2 s ALA 24 N -2.77 -1.78 -0.06 4.37 0.00 0.39 -4.60 121.76 117.31 1ua2 s ALA 24 Ca 0.39 0.93 0.01 0.00 0.00 0.00 0.00 51.96 53.29 1ua2 s ALA 24 Cb 0.38 0.46 0.02 0.00 0.00 0.00 0.00 23.12 23.98 1ua2 s ALA 24 CO -0.05 -0.68 -0.07 0.99 0.00 0.00 0.00 175.76 175.95 1ua2 s THR 25 N -3.12 0.75 -0.11 0.00 2.01 -1.15 0.26 115.64 114.28 1ua2 s THR 25 Ca 0.03 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 61.82 1ua2 s THR 25 Cb -0.01 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.77 1ua2 s THR 25 CO -0.09 0.28 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.27 1ua2 s VAL 26 N 0.94 1.55 0.06 3.82 1.01 0.57 -1.45 120.40 126.90 1ua2 s VAL 26 Ca -0.10 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.26 1ua2 s VAL 26 Cb -0.15 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 1ua2 s VAL 26 CO 0.00 0.45 -0.15 -0.31 0.00 0.00 0.00 175.10 175.09 1ua2 s TYR 27 N 0.89 2.63 1.16 5.22 1.51 -0.83 0.24 117.35 128.18 1ua2 s TYR 27 Ca -0.08 -0.21 -0.19 0.00 -1.01 0.00 0.00 57.07 55.58 1ua2 s TYR 27 Cb -0.15 -1.46 0.27 0.00 -0.11 0.00 0.00 41.96 40.51 1ua2 s TYR 27 CO -0.00 0.32 1.17 0.21 -1.11 0.00 0.00 175.55 176.13 1ua2 s LYS 28 N -1.66 -0.89 0.00 -0.62 2.20 -1.25 -0.94 119.74 116.58 1ua2 s LYS 28 Ca 0.17 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.58 1ua2 s LYS 28 Cb -0.11 -1.65 0.00 0.00 -1.51 0.00 0.00 37.83 34.57 1ua2 s LYS 28 CO 0.08 -3.47 0.00 0.00 -0.36 0.00 0.00 175.35 171.60 1ua2 n ALA 29 N -4.56 0.00 -2.60 3.13 0.00 -0.05 -4.02 120.51 112.41 1ua2 n ALA 29 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.18 1ua2 n ALA 29 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 1ua2 n ALA 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1ua2 s ARG 30 N -1.55 3.96 0.84 0.00 1.70 -1.25 0.15 118.95 122.79 1ua2 s ARG 30 Ca 0.00 0.28 -0.14 0.00 -0.47 0.00 0.00 55.73 55.41 1ua2 s ARG 30 Cb 0.00 -3.70 0.04 0.00 -0.57 0.00 0.00 34.95 30.72 1ua2 s ARG 30 CO 0.00 -0.48 0.72 -3.47 -1.08 0.00 0.00 175.30 170.99 1ua2 n ASP 31 N 5.72 -0.77 -2.33 -2.89 2.03 -1.17 -3.31 116.55 113.83 1ua2 n ASP 31 Ca -0.03 0.48 -0.11 0.00 0.52 0.00 0.00 54.79 55.65 1ua2 n ASP 31 Cb 0.49 -1.32 -0.12 0.00 -0.72 0.00 0.00 41.12 39.46 1ua2 n ASP 31 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1ua2 n LYS 32 N -2.05 0.00 0.00 -0.67 0.00 -1.26 -2.61 118.16 111.57 1ua2 n LYS 32 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.41 1ua2 n LYS 32 Cb 0.51 -0.52 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1ua2 n LYS 32 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1ua2 n ASN 33 N 2.86 0.00 -4.68 3.14 5.15 -1.26 -5.01 115.26 115.46 1ua2 n ASN 33 Ca 0.35 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.91 1ua2 n ASN 33 Cb 0.07 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.30 1ua2 n ASN 33 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1ua2 s THR 34 N 0.00 4.08 0.00 -0.44 -4.23 -1.07 -4.97 115.64 109.00 1ua2 s THR 34 Ca 0.00 1.40 0.00 0.00 -1.18 0.00 0.00 61.69 61.91 1ua2 s THR 34 Cb 0.00 -3.90 0.00 0.00 1.34 0.00 0.00 72.50 69.94 1ua2 s THR 34 CO 0.00 -0.03 0.00 -0.46 -0.54 0.00 0.00 174.62 173.59 1ua2 n ASN 35 N 5.58 0.00 -0.00 3.99 6.94 -1.26 -3.02 115.26 127.49 1ua2 n ASN 35 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.68 1ua2 n ASN 35 Cb 0.45 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 1ua2 n ASN 35 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1ua2 n GLN 36 N -0.23 0.00 -2.67 -3.83 -0.06 -1.26 -4.74 117.38 104.59 1ua2 n GLN 36 Ca 0.00 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.59 1ua2 n GLN 36 Cb 0.00 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.14 1ua2 n GLN 36 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1ua2 s ILE 37 N 0.00 4.37 -0.23 1.69 1.01 -1.26 -3.69 121.20 123.09 1ua2 s ILE 37 Ca 0.00 1.95 -0.18 0.00 0.00 0.00 0.00 60.65 62.41 1ua2 s ILE 37 Cb 0.00 -4.24 0.06 0.00 0.01 0.00 0.00 42.46 38.29 1ua2 s ILE 37 CO 0.00 0.29 0.58 -0.69 0.00 0.00 0.00 174.94 175.12 1ua2 s VAL 38 N 0.07 -0.00 -0.10 2.92 1.01 0.39 -4.05 120.40 120.63 1ua2 s VAL 38 Ca 0.48 0.01 -0.26 0.00 0.00 0.00 0.00 61.98 62.22 1ua2 s VAL 38 Cb -0.25 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 1ua2 s VAL 38 CO 0.31 0.01 0.83 0.00 0.00 0.00 0.00 175.10 176.24 1ua2 s ALA 39 N 0.70 3.38 -0.10 5.51 0.00 -0.62 -0.87 121.76 129.76 1ua2 s ALA 39 Ca -0.03 0.19 -0.02 0.00 0.00 0.00 0.00 51.96 52.09 1ua2 s ALA 39 Cb -0.05 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1ua2 s ALA 39 CO -0.05 -0.38 -0.00 0.42 0.00 0.00 0.00 175.76 175.74 1ua2 s ILE 40 N 1.47 4.26 -0.27 0.00 1.09 -0.12 -0.35 121.20 127.28 1ua2 s ILE 40 Ca 0.41 -0.26 -0.08 0.00 -1.10 0.00 0.00 60.65 59.62 1ua2 s ILE 40 Cb -0.18 -2.81 -0.02 0.00 -1.06 0.00 0.00 42.46 38.39 1ua2 s ILE 40 CO 0.18 0.58 0.10 -0.54 -0.10 0.00 0.00 174.94 175.16 1ua2 s LYS 41 N -0.62 3.60 -0.06 2.79 1.02 0.46 -1.96 119.74 124.96 1ua2 s LYS 41 Ca 0.10 -0.52 -0.09 0.00 0.02 0.00 0.00 55.97 55.47 1ua2 s LYS 41 Cb -0.12 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.73 1ua2 s LYS 41 CO 0.02 -0.25 0.24 0.21 -0.92 0.00 0.00 175.35 174.65 1ua2 s LYS 42 N 1.63 3.60 0.00 1.68 2.20 -0.53 -0.11 119.74 128.21 1ua2 s LYS 42 Ca 0.06 0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.70 1ua2 s LYS 42 Cb -0.16 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 1ua2 s LYS 42 CO 0.05 0.73 0.00 -0.89 -0.36 0.00 0.00 175.35 174.88 1ua2 n ILE 43 N 1.80 0.00 0.00 5.43 -0.00 1.00 -2.95 119.36 124.63 1ua2 n ILE 43 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.58 1ua2 n ILE 43 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.18 1ua2 n ILE 43 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1ua2 n ASN 56 N 0.00 0.00 0.00 4.38 4.13 -1.26 -4.53 115.26 117.98 1ua2 n ASN 56 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1ua2 n ASN 56 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1ua2 n ASN 56 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1ua2 n ARG 57 N 0.00 0.00 0.32 3.52 3.00 -1.26 0.46 116.66 122.70 1ua2 n ARG 57 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 57.91 1ua2 n ARG 57 Cb 0.00 0.00 0.34 0.00 0.00 0.00 0.00 32.46 32.80 1ua2 n ARG 57 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1ua2 h THR 58 N 0.00 0.00 0.00 5.15 2.02 -2.00 -1.96 112.91 116.13 1ua2 h THR 58 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ua2 h THR 58 Cb 0.00 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1ua2 h THR 58 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1ua2 n ALA 59 N -1.64 0.00 0.01 6.16 0.00 0.17 -3.06 120.51 122.15 1ua2 n ALA 59 Ca -0.01 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.65 1ua2 n ALA 59 Cb 0.71 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.89 1ua2 n ALA 59 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ua2 h LEU 60 N 0.00 0.00 0.00 0.00 4.07 -1.63 -1.52 115.31 116.22 1ua2 h LEU 60 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ua2 h LEU 60 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1ua2 h LEU 60 CO 0.00 0.00 0.00 0.54 -1.08 0.00 0.00 178.44 177.90 1ua2 n ARG 61 N -4.10 0.00 0.27 1.13 1.74 -1.08 0.07 116.66 114.69 1ua2 n ARG 61 Ca 0.10 0.41 0.16 0.00 -0.77 0.00 0.00 57.85 57.75 1ua2 n ARG 61 Cb 0.66 -1.38 0.88 0.00 -1.02 0.00 0.00 32.46 31.60 1ua2 n ARG 61 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1ua2 h GLU 62 N 0.00 0.00 0.45 5.56 4.39 -1.26 0.83 114.58 124.55 1ua2 h GLU 62 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1ua2 h GLU 62 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ua2 h GLU 62 CO 0.00 0.00 -0.22 0.82 -1.16 0.00 0.00 179.01 178.45 1ua2 h ILE 63 N 0.00 0.20 -0.11 3.13 2.04 -1.37 -3.14 117.51 118.26 1ua2 h ILE 63 Ca 0.03 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.34 1ua2 h ILE 63 Cb 0.15 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1ua2 h ILE 63 CO -0.00 0.04 0.10 0.11 0.00 0.00 0.00 178.15 178.40 1ua2 h LYS 64 N -1.09 0.00 -0.72 2.37 1.79 0.36 -0.95 116.57 118.33 1ua2 h LYS 64 Ca -0.06 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 1ua2 h LYS 64 Cb 0.54 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.15 1ua2 h LYS 64 CO 0.10 0.00 0.28 1.25 -1.08 0.00 0.00 179.45 180.01 1ua2 h LEU 65 N 0.00 0.99 0.13 2.94 6.46 0.38 -1.93 115.31 124.28 1ua2 h LEU 65 Ca 0.05 -0.15 -0.24 0.00 -0.12 0.00 0.00 57.88 57.43 1ua2 h LEU 65 Cb 0.25 -0.26 0.03 0.00 -0.73 0.00 0.00 40.66 39.95 1ua2 h LEU 65 CO -0.00 0.88 -1.01 0.25 -0.62 0.00 0.00 178.44 177.94 1ua2 h LEU 66 N 1.05 0.66 -0.71 2.25 6.46 -1.14 -2.36 115.31 121.53 1ua2 h LEU 66 Ca 0.24 -0.88 0.13 0.00 -0.12 0.00 0.00 57.88 57.26 1ua2 h LEU 66 Cb 0.21 -0.21 -0.09 0.00 -0.73 0.00 0.00 40.66 39.83 1ua2 h LEU 66 CO -0.02 1.48 0.26 1.56 -0.62 0.00 0.00 178.44 181.10 1ua2 h GLN 67 N -0.05 0.39 -0.00 1.25 1.08 -1.36 -2.49 115.11 113.93 1ua2 h GLN 67 Ca -0.16 -0.02 -0.22 0.00 -1.45 0.00 0.00 58.65 56.79 1ua2 h GLN 67 Cb 1.75 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 29.09 1ua2 h GLN 67 CO 0.19 0.26 -0.92 0.93 -0.95 0.00 0.00 178.83 178.34 1ua2 h GLU 68 N 0.40 0.37 -6.37 1.46 5.08 -1.31 -3.44 114.58 110.77 1ua2 h GLU 68 Ca 0.39 -0.40 -0.64 0.00 -1.00 0.00 0.00 59.36 57.70 1ua2 h GLU 68 Cb 0.57 0.11 0.06 0.00 0.50 0.00 0.00 28.75 30.00 1ua2 h GLU 68 CO -0.40 1.08 0.49 1.28 -1.00 0.00 0.00 179.01 180.45 1ua2 n LEU 69 N -3.73 2.05 -3.48 1.33 4.32 -0.89 -4.98 117.00 111.62 1ua2 n LEU 69 Ca -0.06 1.12 -0.19 0.00 -0.02 0.00 0.00 56.01 56.86 1ua2 n LEU 69 Cb 0.82 -1.27 -0.12 0.00 -1.62 0.00 0.00 43.42 41.23 1ua2 n LEU 69 CO 0.50 -0.91 -0.21 -0.55 -1.22 0.00 0.00 177.39 175.00 1ua2 s SER 70 N 0.41 1.71 -0.28 -1.43 0.15 -1.26 -4.93 113.70 108.06 1ua2 s SER 70 Ca 0.78 -0.48 -0.23 0.00 0.70 0.00 0.00 55.95 56.72 1ua2 s SER 70 Cb -0.84 0.32 0.09 0.00 -1.71 0.00 0.00 66.02 63.88 1ua2 s SER 70 CO 0.47 -0.35 0.83 -2.28 1.20 0.00 0.00 173.24 173.11 1ua2 s HIS 71 N 2.31 -0.71 0.40 3.44 5.04 -1.26 -5.04 115.29 119.47 1ua2 s HIS 71 Ca 0.08 1.66 0.21 0.00 -1.54 0.00 0.00 55.06 55.46 1ua2 s HIS 71 Cb -0.15 0.35 1.18 0.00 0.04 0.00 0.00 32.58 34.00 1ua2 s HIS 71 CO -0.20 -0.34 1.73 -1.35 -2.34 0.00 0.00 174.74 172.24 1ua2 h PRO 72 N 5.08 0.31 -0.44 2.88 0.11 -1.98 0.54 132.00 138.49 1ua2 h PRO 72 Ca -0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1ua2 h PRO 72 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ua2 h PRO 72 CO 0.09 0.20 0.00 0.09 -0.21 0.00 0.00 178.00 178.18 1ua2 n ASN 73 N -4.67 4.67 -4.46 -2.05 3.02 -1.26 -4.82 115.26 105.70 1ua2 n ASN 73 Ca 0.28 -2.85 -0.33 0.00 -0.03 0.00 0.00 54.58 51.65 1ua2 n ASN 73 Cb 1.01 -0.59 -0.13 0.00 -0.61 0.00 0.00 39.78 39.47 1ua2 n ASN 73 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ua2 s ILE 74 N -2.57 3.18 0.52 2.41 1.09 0.18 -0.41 121.20 125.60 1ua2 s ILE 74 Ca 0.47 -0.66 -0.21 0.00 -1.10 0.00 0.00 60.65 59.15 1ua2 s ILE 74 Cb 0.36 -2.29 -0.07 0.00 -1.06 0.00 0.00 42.46 39.40 1ua2 s ILE 74 CO 0.14 0.57 1.03 0.00 -0.10 0.00 0.00 174.94 176.58 1ua2 n ILE 75 N 2.71 3.15 -3.06 2.92 0.13 -0.79 -4.63 119.36 119.78 1ua2 n ILE 75 Ca -0.18 -0.50 -0.40 0.00 -1.10 0.00 0.00 62.75 60.57 1ua2 n ILE 75 Cb 0.52 -1.22 -0.05 0.00 -0.84 0.00 0.00 39.64 38.05 1ua2 n ILE 75 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 1ua2 s GLY 76 N -0.98 2.00 -0.08 4.50 0.00 -1.26 -4.95 107.32 106.55 1ua2 s GLY 76 Ca 0.70 -0.23 -0.30 0.00 0.00 0.00 0.00 44.72 44.89 1ua2 s GLY 76 CO 0.52 1.42 1.04 -2.27 0.00 0.00 0.00 173.10 173.80 1ua2 s LEU 77 N 2.10 4.27 -0.25 0.66 2.96 -1.26 -2.54 118.68 124.61 1ua2 s LEU 77 Ca 0.30 1.60 -0.17 0.00 -0.22 0.00 0.00 54.13 55.64 1ua2 s LEU 77 Cb -0.16 -3.56 -0.15 0.00 0.50 0.00 0.00 46.19 42.83 1ua2 s LEU 77 CO 0.10 -0.45 -0.13 0.18 -1.32 0.00 0.00 176.35 174.73 1ua2 n LEU 78 N 4.89 1.92 -3.86 -0.68 7.99 0.74 -4.67 117.00 123.33 1ua2 n LEU 78 Ca 0.09 0.37 -0.07 0.00 -0.01 0.00 0.00 56.01 56.39 1ua2 n LEU 78 Cb 0.49 -0.88 -0.02 0.00 -0.11 0.00 0.00 43.42 42.89 1ua2 n LEU 78 CO 0.53 0.45 0.44 1.51 -1.51 0.00 0.00 177.39 178.80 1ua2 s ASP 79 N -7.24 -0.25 -0.08 -1.43 -4.77 -1.21 -5.00 116.67 96.69 1ua2 s ASP 79 Ca -0.35 -0.63 0.05 0.00 -3.30 0.00 0.00 52.55 48.32 1ua2 s ASP 79 Cb 0.11 0.71 -0.00 0.00 -1.09 0.00 0.00 42.92 42.65 1ua2 s ASP 79 CO 0.53 -1.32 -0.24 0.00 0.70 0.00 0.00 175.17 174.84 1ua2 s ALA 80 N -3.93 2.14 0.00 2.11 0.00 -1.26 -0.22 121.76 120.61 1ua2 s ALA 80 Ca 0.12 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1ua2 s ALA 80 Cb -0.05 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1ua2 s ALA 80 CO 0.07 0.33 0.00 1.97 0.00 0.00 0.00 175.76 178.13 1ua2 n PHE 81 N 3.32 0.00 0.00 0.00 1.16 -0.64 -4.99 117.46 116.32 1ua2 n PHE 81 Ca -0.19 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.39 1ua2 n PHE 81 Cb 0.53 0.02 0.00 0.00 -1.61 0.00 0.00 39.48 38.42 1ua2 n PHE 81 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1ua2 n GLY 82 N 3.11 0.00 3.89 4.97 0.00 -1.26 -4.82 105.19 111.08 1ua2 n GLY 82 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1ua2 n GLY 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ua2 s HIS 83 N 0.00 3.29 -1.26 1.61 2.46 -0.65 -4.87 115.29 115.87 1ua2 s HIS 83 Ca 0.00 -0.04 0.00 0.00 0.47 0.00 0.00 55.06 55.49 1ua2 s HIS 83 Cb 0.00 -1.51 0.00 0.00 -0.13 0.00 0.00 32.58 30.94 1ua2 s HIS 83 CO 0.00 0.49 0.10 1.17 -2.47 0.00 0.00 174.74 174.03 1ua2 n LYS 84 N -1.10 0.00 -0.13 2.88 4.81 -1.26 -0.16 118.16 123.21 1ua2 n LYS 84 Ca -0.08 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.09 1ua2 n LYS 84 Cb 0.57 -1.16 -0.11 0.00 0.02 0.00 0.00 35.03 34.35 1ua2 n LYS 84 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1ua2 n SER 85 N -0.48 1.95 -3.78 3.14 3.41 -1.26 -5.00 113.62 111.60 1ua2 n SER 85 Ca 0.00 0.31 -0.14 0.00 -0.26 0.00 0.00 58.87 58.78 1ua2 n SER 85 Cb 0.00 -0.81 -0.15 0.00 -0.26 0.00 0.00 64.21 62.99 1ua2 n SER 85 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ua2 s ASN 86 N -7.26 -0.01 0.19 4.04 0.02 0.78 -5.03 114.94 107.67 1ua2 s ASN 86 Ca -0.36 0.14 -0.15 0.00 -1.02 0.00 0.00 52.86 51.46 1ua2 s ASN 86 Cb 0.12 0.05 -0.07 0.00 0.02 0.00 0.00 41.25 41.36 1ua2 s ASN 86 CO 0.53 -0.11 0.61 -0.63 0.02 0.00 0.00 177.10 177.52 1ua2 s ILE 87 N 0.91 4.77 -0.04 0.60 -1.09 -1.25 -1.64 121.20 123.46 1ua2 s ILE 87 Ca -0.07 0.93 0.01 0.00 -2.23 0.00 0.00 60.65 59.29 1ua2 s ILE 87 Cb -0.10 -3.75 0.02 0.00 -1.58 0.00 0.00 42.46 37.05 1ua2 s ILE 87 CO -0.03 0.17 -0.03 -0.94 -1.23 0.00 0.00 174.94 172.88 1ua2 s SER 88 N -1.79 0.75 -0.15 3.58 1.04 -1.26 -0.00 113.70 115.87 1ua2 s SER 88 Ca 0.41 -0.09 -0.03 0.00 0.48 0.00 0.00 55.95 56.72 1ua2 s SER 88 Cb -0.15 -0.36 -0.03 0.00 0.10 0.00 0.00 66.02 65.58 1ua2 s SER 88 CO 0.20 -0.07 -0.05 -0.76 0.98 0.00 0.00 173.24 173.54 1ua2 s LEU 89 N 0.96 3.18 -0.36 2.42 1.43 0.84 -1.62 118.68 125.53 1ua2 s LEU 89 Ca -0.11 -0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 1ua2 s LEU 89 Cb -0.14 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1ua2 s LEU 89 CO -0.01 0.16 0.24 -0.69 0.23 0.00 0.00 176.35 176.29 1ua2 s VAL 90 N 0.39 5.04 0.27 -1.59 1.01 0.69 0.17 120.40 126.39 1ua2 s VAL 90 Ca -0.05 -0.51 0.09 0.00 0.00 0.00 0.00 61.98 61.52 1ua2 s VAL 90 Cb -0.14 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1ua2 s VAL 90 CO 0.03 -0.13 0.01 -0.36 0.00 0.00 0.00 175.10 174.65 1ua2 s PHE 91 N 1.66 2.71 0.87 5.22 0.40 0.52 0.26 117.98 129.63 1ua2 s PHE 91 Ca 0.05 -0.23 -0.12 0.00 -0.60 0.00 0.00 56.93 56.03 1ua2 s PHE 91 Cb -0.18 -1.23 0.11 0.00 0.51 0.00 0.00 43.02 42.23 1ua2 s PHE 91 CO 0.09 0.60 1.14 -0.40 0.70 0.00 0.00 175.22 177.35 1ua2 n ASP 92 N -0.92 0.53 -4.73 1.36 5.68 -1.05 -1.59 116.55 115.82 1ua2 n ASP 92 Ca -0.06 0.49 -0.37 0.00 -0.50 0.00 0.00 54.79 54.35 1ua2 n ASP 92 Cb 0.59 -1.48 -0.07 0.00 -1.14 0.00 0.00 41.12 39.02 1ua2 n ASP 92 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1ua2 s PHE 93 N -2.39 3.48 -0.32 2.11 5.36 -1.26 -4.15 117.98 120.81 1ua2 s PHE 93 Ca 0.69 0.63 -0.02 0.00 -0.96 0.00 0.00 56.93 57.28 1ua2 s PHE 93 Cb -0.26 -2.35 0.06 0.00 -0.34 0.00 0.00 43.02 40.13 1ua2 s PHE 93 CO 0.55 0.25 0.04 -1.64 -1.46 0.00 0.00 175.22 172.96 1ua2 s MET 94 N 0.40 2.32 0.00 10.12 -1.94 -1.26 -4.78 119.30 124.15 1ua2 s MET 94 Ca 0.18 -1.39 0.00 0.00 -1.71 0.00 0.00 55.69 52.77 1ua2 s MET 94 Cb -0.13 -3.26 0.00 0.00 2.01 0.00 0.00 34.83 33.45 1ua2 s MET 94 CO 0.05 -0.71 0.00 0.39 -0.01 0.00 0.00 175.02 174.73 1ua2 n GLU 95 N 4.60 0.00 0.00 2.03 -0.58 -1.02 -4.75 120.64 120.92 1ua2 n GLU 95 Ca -0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 1ua2 n GLU 95 Cb 0.43 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.30 1ua2 n GLU 95 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1ua2 n THR 96 N -0.36 0.00 -3.65 2.62 -2.24 -1.20 -5.03 114.28 104.42 1ua2 n THR 96 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1ua2 n THR 96 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1ua2 n THR 96 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ua2 n ASP 97 N 0.00 -1.53 0.13 3.42 3.85 -1.26 -1.15 116.55 120.00 1ua2 n ASP 97 Ca 0.00 -1.98 -0.01 0.00 -0.71 0.00 0.00 54.79 52.09 1ua2 n ASP 97 Cb 0.00 2.54 0.13 0.00 -1.35 0.00 0.00 41.12 42.43 1ua2 n ASP 97 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 1ua2 h LEU 98 N 0.00 0.00 -0.17 -2.12 4.07 -0.94 -1.28 115.31 114.87 1ua2 h LEU 98 Ca -0.23 0.00 0.04 0.00 0.08 0.00 0.00 57.88 57.78 1ua2 h LEU 98 Cb 0.90 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.59 1ua2 h LEU 98 CO 0.30 0.66 -0.13 -0.08 -1.08 0.00 0.00 178.44 178.10 1ua2 h GLU 99 N 0.00 -0.13 0.43 1.13 4.81 -1.77 0.72 114.58 119.76 1ua2 h GLU 99 Ca -0.01 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1ua2 h GLU 99 Cb 1.22 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1ua2 h GLU 99 CO 0.09 -0.09 -0.20 0.28 -0.73 0.00 0.00 179.01 178.35 1ua2 h VAL 100 N -0.14 0.58 -0.51 0.32 2.07 -1.80 0.10 116.25 116.88 1ua2 h VAL 100 Ca 0.10 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.68 1ua2 h VAL 100 Cb 0.29 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1ua2 h VAL 100 CO -0.25 0.00 0.34 0.40 0.02 0.00 0.00 177.57 178.08 1ua2 h ILE 101 N -0.57 1.00 0.00 4.57 1.08 -0.95 -3.27 117.51 119.37 1ua2 h ILE 101 Ca -0.06 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1ua2 h ILE 101 Cb 0.44 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 1ua2 h ILE 101 CO 0.10 0.09 -0.00 0.40 -0.69 0.00 0.00 178.15 178.04 1ua2 h ILE 102 N 0.49 0.00 -4.25 -0.67 2.04 -0.69 -3.41 117.51 111.03 1ua2 h ILE 102 Ca 0.22 -0.03 -0.50 0.00 1.00 0.00 0.00 64.86 65.55 1ua2 h ILE 102 Cb 0.25 0.00 0.12 0.00 -0.74 0.00 0.00 36.82 36.45 1ua2 h ILE 102 CO -0.06 0.00 0.31 -1.59 0.00 0.00 0.00 178.15 176.82 1ua2 s LYS 103 N -1.02 2.07 0.00 2.37 -2.85 0.34 -3.24 119.74 117.41 1ua2 s LYS 103 Ca -0.00 0.90 0.00 0.00 -1.00 0.00 0.00 55.97 55.87 1ua2 s LYS 103 Cb 0.00 -1.90 0.00 0.00 -2.06 0.00 0.00 37.83 33.87 1ua2 s LYS 103 CO 0.00 -1.70 0.00 -3.47 0.10 0.00 0.00 175.35 170.28 1ua2 n ASP 104 N -3.52 0.00 -3.56 0.03 -0.08 -1.26 -4.60 116.55 103.55 1ua2 n ASP 104 Ca 0.08 -0.03 -0.39 0.00 -1.51 0.00 0.00 54.79 52.93 1ua2 n ASP 104 Cb 0.55 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.02 1ua2 n ASP 104 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1ua2 n ASN 105 N 0.44 6.99 0.00 1.67 2.85 -1.20 -4.62 115.26 121.39 1ua2 n ASN 105 Ca 0.00 -3.68 0.08 0.00 -0.11 0.00 0.00 54.58 50.87 1ua2 n ASN 105 Cb 0.00 -1.10 0.36 0.00 1.24 0.00 0.00 39.78 40.29 1ua2 n ASN 105 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1ua2 n SER 106 N -0.05 0.01 -0.03 1.20 3.41 -1.26 -1.63 113.62 115.26 1ua2 n SER 106 Ca 0.45 0.50 -0.11 0.00 -0.26 0.00 0.00 58.87 59.45 1ua2 n SER 106 Cb 0.28 -0.51 -0.07 0.00 -0.26 0.00 0.00 64.21 63.65 1ua2 n SER 106 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ua2 h LEU 107 N 0.00 -1.31-10.33 1.04 7.12 -1.96 -3.41 115.31 106.47 1ua2 h LEU 107 Ca 0.00 0.16 -0.51 0.00 0.13 0.00 0.00 57.88 57.66 1ua2 h LEU 107 Cb 0.29 0.52 0.09 0.00 -0.53 0.00 0.00 40.66 41.03 1ua2 h LEU 107 CO 0.00 -0.34 0.37 0.68 -0.13 0.00 0.00 178.44 179.02 1ua2 s VAL 108 N -4.99 4.04 -0.07 1.05 -7.23 -0.65 -5.08 120.40 107.48 1ua2 s VAL 108 Ca -0.11 0.68 -0.05 0.00 -1.81 0.00 0.00 61.98 60.69 1ua2 s VAL 108 Cb 0.06 -3.42 0.03 0.00 0.56 0.00 0.00 36.38 33.60 1ua2 s VAL 108 CO 0.45 -0.85 0.16 -0.22 -0.31 0.00 0.00 175.10 174.34 1ua2 s LEU 109 N -5.46 1.11 -0.29 1.32 2.96 -1.26 -4.91 118.68 112.14 1ua2 s LEU 109 Ca 0.58 0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 54.81 1ua2 s LEU 109 Cb -0.14 0.51 0.10 0.00 0.50 0.00 0.00 46.19 47.16 1ua2 s LEU 109 CO 0.54 -0.09 0.11 0.28 -1.32 0.00 0.00 176.35 175.86 1ua2 s THR 110 N 0.51 0.47 -0.02 3.68 -1.32 -1.26 -5.00 115.64 112.70 1ua2 s THR 110 Ca -0.03 -1.09 0.04 0.00 -1.21 0.00 0.00 61.69 59.40 1ua2 s THR 110 Cb -0.05 -1.35 -0.01 0.00 -1.51 0.00 0.00 72.50 69.59 1ua2 s THR 110 CO -0.02 -0.67 -0.14 -2.16 -2.21 0.00 0.00 174.62 169.42 1ua2 s PRO 111 N 1.83 1.31 0.00 7.08 0.04 -1.26 -4.79 135.00 139.21 1ua2 s PRO 111 Ca 0.09 -0.49 0.00 0.00 0.04 0.00 0.00 61.00 60.63 1ua2 s PRO 111 Cb -0.17 -1.21 0.00 0.00 0.04 0.00 0.00 34.50 33.16 1ua2 s PRO 111 CO -0.29 0.24 0.00 0.45 0.04 0.00 0.00 177.00 177.44 1ua2 n SER 112 N 3.00 0.00 0.01 6.66 2.88 -1.26 -4.44 113.62 120.46 1ua2 n SER 112 Ca -0.16 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.32 1ua2 n SER 112 Cb 0.54 -1.52 0.14 0.00 -0.75 0.00 0.00 64.21 62.62 1ua2 n SER 112 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1ua2 h HIS 113 N 0.00 0.59 0.17 0.66 3.86 -1.91 -2.81 115.15 115.71 1ua2 h HIS 113 Ca 0.00 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1ua2 h HIS 113 Cb 0.00 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.31 1ua2 h HIS 113 CO 0.00 0.81 -0.42 0.82 0.86 0.00 0.00 177.93 179.99 1ua2 h ILE 114 N 0.42 0.00 -0.61 2.45 2.04 -1.87 0.59 117.51 120.53 1ua2 h ILE 114 Ca 0.04 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.08 1ua2 h ILE 114 Cb 0.85 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.81 1ua2 h ILE 114 CO 0.07 0.00 0.03 1.17 0.00 0.00 0.00 178.15 179.42 1ua2 n LYS 115 N -4.89 -0.05 0.04 2.37 3.00 -1.23 0.33 118.16 117.73 1ua2 n LYS 115 Ca -0.08 0.92 -0.12 0.00 -0.00 0.00 0.00 58.31 59.03 1ua2 n LYS 115 Cb 0.34 -1.47 -0.09 0.00 0.00 0.00 0.00 35.03 33.82 1ua2 n LYS 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ua2 h ALA 116 N 1.23 -0.16 -0.90 3.14 0.00 -1.11 0.31 119.26 121.77 1ua2 h ALA 116 Ca 0.38 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1ua2 h ALA 116 Cb 0.81 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 1ua2 h ALA 116 CO -0.57 -0.33 0.55 1.88 0.00 0.00 0.00 179.25 180.78 1ua2 h TYR 117 N -0.67 1.01 -0.07 0.00 0.99 0.20 -0.75 116.97 117.68 1ua2 h TYR 117 Ca -0.02 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 1ua2 h TYR 117 Cb 0.51 -0.32 -0.00 0.00 1.00 0.00 0.00 36.73 37.92 1ua2 h TYR 117 CO 0.08 0.47 -0.08 0.52 -0.00 0.00 0.00 178.16 179.14 1ua2 h MET 118 N 0.96 0.18 -0.58 4.88 2.86 -0.09 -1.96 114.93 121.18 1ua2 h MET 118 Ca 0.42 -0.10 0.11 0.00 -2.06 0.00 0.00 59.70 58.06 1ua2 h MET 118 Cb 0.29 0.01 -0.11 0.00 0.06 0.00 0.00 31.60 31.84 1ua2 h MET 118 CO -0.21 0.64 -0.31 1.25 1.06 0.00 0.00 176.91 179.33 1ua2 h LEU 119 N -0.26 -1.08 0.48 1.22 5.85 0.67 -0.52 115.31 121.67 1ua2 h LEU 119 Ca 0.01 0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1ua2 h LEU 119 Cb 0.61 0.55 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1ua2 h LEU 119 CO 0.02 -0.30 -0.23 0.00 -0.34 0.00 0.00 178.44 177.59 1ua2 h MET 120 N -0.15 -0.63 -0.50 1.25 -0.00 -1.15 -2.21 114.93 111.54 1ua2 h MET 120 Ca 0.24 0.04 0.09 0.00 -0.00 0.00 0.00 59.70 60.07 1ua2 h MET 120 Cb 0.54 0.14 -0.09 0.00 -0.00 0.00 0.00 31.60 32.20 1ua2 h MET 120 CO -0.67 -0.35 -0.16 2.41 -0.00 0.00 0.00 176.91 178.14 1ua2 n THR 121 N -5.22 -0.24 0.06 -0.10 -1.04 -0.74 0.28 114.28 107.28 1ua2 n THR 121 Ca -0.09 1.17 -0.10 0.00 -2.04 0.00 0.00 64.05 62.98 1ua2 n THR 121 Cb 0.29 -1.57 0.01 0.00 -1.82 0.00 0.00 70.33 67.24 1ua2 n THR 121 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1ua2 h LEU 122 N 0.00 0.45 -0.80 -4.42 3.38 -1.03 -1.05 115.31 111.84 1ua2 h LEU 122 Ca 0.20 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1ua2 h LEU 122 Cb 0.33 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1ua2 h LEU 122 CO -0.51 1.07 -0.13 1.56 0.09 0.00 0.00 178.44 180.52 1ua2 h GLN 123 N 0.24 0.76 -0.02 1.13 4.20 0.48 1.56 115.11 123.46 1ua2 h GLN 123 Ca -0.04 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.41 1ua2 h GLN 123 Cb 1.39 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.11 1ua2 h GLN 123 CO 0.13 0.86 0.01 0.78 -0.67 0.00 0.00 178.83 179.94 1ua2 h GLY 124 N 0.97 0.02 1.73 3.46 0.00 -0.59 -2.41 103.07 106.25 1ua2 h GLY 124 Ca 0.11 -0.01 -0.12 0.00 0.00 0.00 0.00 47.33 47.31 1ua2 h GLY 124 CO 0.04 0.01 -0.46 -2.00 0.00 0.00 0.00 176.54 174.13 1ua2 h LEU 125 N -0.02 0.32 -0.92 3.11 6.46 0.06 -1.92 115.31 122.41 1ua2 h LEU 125 Ca 0.01 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 1ua2 h LEU 125 Cb 0.04 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 1ua2 h LEU 125 CO -0.00 0.74 0.00 1.05 -0.62 0.00 0.00 178.44 179.60 1ua2 h GLU 126 N 0.24 0.00 0.01 1.25 4.11 0.27 0.11 114.58 120.57 1ua2 h GLU 126 Ca 0.02 0.00 -0.40 0.00 0.07 0.00 0.00 59.36 59.05 1ua2 h GLU 126 Cb 0.91 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.10 1ua2 h GLU 126 CO 0.07 0.00 -2.22 0.98 0.07 0.00 0.00 179.01 177.91 1ua2 n TYR 127 N -2.38 0.32 -0.02 2.06 9.36 -0.87 -2.16 117.16 123.47 1ua2 n TYR 127 Ca 0.01 0.12 -0.09 0.00 3.32 0.00 0.00 57.90 61.26 1ua2 n TYR 127 Cb 0.22 -1.04 -0.02 0.00 -0.63 0.00 0.00 39.34 37.87 1ua2 n TYR 127 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 1ua2 h LEU 128 N -0.71 -0.60 -0.91 2.98 5.85 -1.20 0.22 115.31 120.94 1ua2 h LEU 128 Ca -0.58 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 1ua2 h LEU 128 Cb 1.65 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.94 1ua2 h LEU 128 CO -0.27 -0.23 0.15 0.45 -0.34 0.00 0.00 178.44 178.19 1ua2 h HIS 129 N -0.21 0.98 0.00 1.25 3.86 -0.81 -1.21 115.15 119.01 1ua2 h HIS 129 Ca 0.12 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1ua2 h HIS 129 Cb 0.39 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1ua2 h HIS 129 CO -0.32 0.81 0.00 0.00 0.86 0.00 0.00 177.93 179.28 1ua2 n GLN 130 N -4.26 0.18 -0.81 2.45 -0.00 -0.92 -1.19 117.38 112.83 1ua2 n GLN 130 Ca 0.04 0.13 0.07 0.00 -0.00 0.00 0.00 57.00 57.25 1ua2 n GLN 130 Cb 0.24 -1.50 0.38 0.00 -0.00 0.00 0.00 30.24 29.36 1ua2 n GLN 130 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1ua2 n HIS 131 N -1.36 1.88 -2.68 2.61 8.25 0.03 -4.94 115.22 119.01 1ua2 n HIS 131 Ca 0.08 -0.74 -0.22 0.00 -0.26 0.00 0.00 57.72 56.58 1ua2 n HIS 131 Cb 0.17 -0.47 0.01 0.00 1.12 0.00 0.00 29.99 30.83 1ua2 n HIS 131 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1ua2 n TRP 132 N 0.50 -1.44 -4.82 4.41 7.02 -0.34 -4.98 117.44 117.79 1ua2 n TRP 132 Ca 0.27 0.23 -0.33 0.00 -1.02 0.00 0.00 57.50 56.65 1ua2 n TRP 132 Cb 1.13 -4.20 -0.15 0.00 -2.42 0.00 0.00 31.31 25.68 1ua2 n TRP 132 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1ua2 s ILE 133 N -3.10 2.97 0.02 -0.99 1.01 -0.68 -5.03 121.20 115.41 1ua2 s ILE 133 Ca 0.14 -0.69 -0.21 0.00 0.00 0.00 0.00 60.65 59.88 1ua2 s ILE 133 Cb -0.06 -2.24 -0.06 0.00 0.01 0.00 0.00 42.46 40.12 1ua2 s ILE 133 CO 0.17 0.53 0.61 -0.76 0.00 0.00 0.00 174.94 175.49 1ua2 s LEU 134 N 0.31 4.45 -0.86 2.97 1.02 -1.26 -3.42 118.68 121.89 1ua2 s LEU 134 Ca -0.11 1.23 -0.05 0.00 0.02 0.00 0.00 54.13 55.22 1ua2 s LEU 134 Cb -0.16 -2.96 0.08 0.00 0.02 0.00 0.00 46.19 43.18 1ua2 s LEU 134 CO 0.06 0.13 2.60 1.57 0.02 0.00 0.00 176.35 180.73 1ua2 n HIS 135 N 2.48 2.05 0.00 0.29 -0.00 -1.26 -4.86 115.22 113.92 1ua2 n HIS 135 Ca -0.07 -2.35 0.00 0.00 -0.00 0.00 0.00 57.72 55.30 1ua2 n HIS 135 Cb 0.51 -1.60 0.00 0.00 -0.00 0.00 0.00 29.99 28.90 1ua2 n HIS 135 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 1ua2 n ARG 136 N 1.29 0.00 -3.76 1.57 1.85 -1.26 -3.56 116.66 112.80 1ua2 n ARG 136 Ca 0.55 0.15 -0.29 0.00 -1.00 0.00 0.00 57.85 57.26 1ua2 n ARG 136 Cb 0.41 -1.51 -0.13 0.00 -1.05 0.00 0.00 32.46 30.19 1ua2 n ARG 136 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1ua2 s ASP 137 N -2.25 3.76 -0.19 2.89 2.15 -1.26 -4.95 116.67 116.82 1ua2 s ASP 137 Ca 0.00 -3.05 -0.02 0.00 0.43 0.00 0.00 52.55 49.91 1ua2 s ASP 137 Cb 0.00 -1.21 -0.00 0.00 -0.30 0.00 0.00 42.92 41.41 1ua2 s ASP 137 CO 0.00 -0.20 -0.10 -0.22 -0.17 0.00 0.00 175.17 174.47 1ua2 s LEU 138 N -0.24 2.63 0.16 -1.34 2.96 -1.23 -4.88 118.68 116.74 1ua2 s LEU 138 Ca 0.21 -0.46 -0.20 0.00 -0.22 0.00 0.00 54.13 53.46 1ua2 s LEU 138 Cb -0.16 -1.64 0.05 0.00 0.50 0.00 0.00 46.19 44.94 1ua2 s LEU 138 CO -0.07 0.01 0.54 -1.59 -1.32 0.00 0.00 176.35 173.93 1ua2 s LYS 139 N 1.25 1.27 0.32 1.98 -2.85 -1.26 -4.88 119.74 115.57 1ua2 s LYS 139 Ca 0.03 -0.63 0.09 0.00 -1.00 0.00 0.00 55.97 54.46 1ua2 s LYS 139 Cb -0.14 0.55 0.88 0.00 -2.06 0.00 0.00 37.83 37.06 1ua2 s LYS 139 CO -0.05 -0.54 1.72 -1.35 0.10 0.00 0.00 175.35 175.23 1ua2 h PRO 140 N 2.13 0.52 -1.00 1.78 0.11 -1.92 0.90 132.00 134.51 1ua2 h PRO 140 Ca -0.32 -0.03 0.39 0.00 0.11 0.00 0.00 66.00 66.15 1ua2 h PRO 140 Cb 1.28 -0.12 -0.18 0.00 0.11 0.00 0.00 31.00 32.10 1ua2 h PRO 140 CO 0.39 0.34 0.44 -0.91 -0.21 0.00 0.00 178.00 178.06 1ua2 h ASN 141 N 0.53 0.17 0.01 -2.05 -0.26 -1.94 -2.47 115.58 109.57 1ua2 h ASN 141 Ca 0.64 0.26 0.00 0.00 -0.56 0.00 0.00 56.30 56.65 1ua2 h ASN 141 Cb 1.24 0.31 0.00 0.00 -1.06 0.00 0.00 38.32 38.82 1ua2 h ASN 141 CO -0.50 -0.43 -0.37 0.59 -1.06 0.00 0.00 177.43 175.67 1ua2 n ASN 142 N -5.30 2.08 -4.37 5.81 5.03 0.31 -4.44 115.26 114.37 1ua2 n ASN 142 Ca 0.35 -1.54 -0.45 0.00 0.87 0.00 0.00 54.58 53.81 1ua2 n ASN 142 Cb 1.19 0.36 -0.03 0.00 -1.02 0.00 0.00 39.78 40.28 1ua2 n ASN 142 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ua2 s LEU 143 N -2.39 5.88 0.53 3.41 1.43 -1.04 -0.21 118.68 126.29 1ua2 s LEU 143 Ca 0.21 -2.11 -0.11 0.00 -1.03 0.00 0.00 54.13 51.09 1ua2 s LEU 143 Cb 0.19 -2.29 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 1ua2 s LEU 143 CO 0.52 -0.88 0.93 -0.76 0.23 0.00 0.00 176.35 176.39 1ua2 s LEU 144 N 1.64 3.50 0.09 1.79 1.43 -0.10 -1.96 118.68 125.07 1ua2 s LEU 144 Ca 0.19 1.30 0.07 0.00 -1.03 0.00 0.00 54.13 54.67 1ua2 s LEU 144 Cb -0.14 -4.28 -0.03 0.00 0.03 0.00 0.00 46.19 41.77 1ua2 s LEU 144 CO -0.04 -0.67 -0.19 -0.76 0.23 0.00 0.00 176.35 174.92 1ua2 s LEU 145 N -4.62 2.27 0.52 1.79 1.43 -0.30 -0.36 118.68 119.41 1ua2 s LEU 145 Ca 0.54 -0.64 0.05 0.00 -1.03 0.00 0.00 54.13 53.04 1ua2 s LEU 145 Cb -0.10 -0.79 0.02 0.00 0.03 0.00 0.00 46.19 45.35 1ua2 s LEU 145 CO 0.43 0.03 0.30 1.51 0.23 0.00 0.00 176.35 178.86 1ua2 s ASP 146 N -1.76 4.52 0.40 2.29 -4.77 -0.71 -2.44 116.67 114.21 1ua2 s ASP 146 Ca 0.04 -1.30 0.23 0.00 -3.30 0.00 0.00 52.55 48.23 1ua2 s ASP 146 Cb -0.10 0.32 1.28 0.00 -1.09 0.00 0.00 42.92 43.34 1ua2 s ASP 146 CO 0.03 -0.99 1.65 -0.33 0.70 0.00 0.00 175.17 176.24 1ua2 h GLU 147 N 0.94 0.18 -0.19 2.11 3.07 -1.91 -2.52 114.58 116.26 1ua2 h GLU 147 Ca -0.39 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 1ua2 h GLU 147 Cb 1.30 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1ua2 h GLU 147 CO 0.62 0.12 0.00 0.09 -1.40 0.00 0.00 179.01 178.44 1ua2 n ASN 148 N -4.84 3.13 -0.86 1.42 5.03 -1.26 -4.95 115.26 112.92 1ua2 n ASN 148 Ca 0.34 -1.96 -0.01 0.00 0.87 0.00 0.00 54.58 53.83 1ua2 n ASN 148 Cb 1.22 -0.11 0.00 0.00 -1.02 0.00 0.00 39.78 39.87 1ua2 n ASN 148 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ua2 n GLY 149 N 1.35 0.64 3.21 7.41 0.00 -0.95 -2.11 105.19 114.74 1ua2 n GLY 149 Ca 0.16 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 1ua2 n GLY 149 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ua2 s VAL 150 N -3.01 3.10 0.16 1.61 -7.23 -1.26 -4.29 120.40 109.48 1ua2 s VAL 150 Ca 0.01 -1.16 -0.31 0.00 -1.81 0.00 0.00 61.98 58.72 1ua2 s VAL 150 Cb -0.00 -2.69 -0.08 0.00 0.56 0.00 0.00 36.38 34.17 1ua2 s VAL 150 CO 0.03 0.02 1.34 -0.22 -0.31 0.00 0.00 175.10 175.96 1ua2 s LEU 151 N 1.32 4.39 -0.03 1.32 1.98 -1.26 -1.73 118.68 124.66 1ua2 s LEU 151 Ca -0.02 2.35 0.01 0.00 -2.89 0.00 0.00 54.13 53.58 1ua2 s LEU 151 Cb -0.18 -3.60 0.02 0.00 0.66 0.00 0.00 46.19 43.08 1ua2 s LEU 151 CO -0.02 -0.58 -0.05 -0.54 -1.89 0.00 0.00 176.35 173.27 1ua2 s LYS 152 N 0.48 0.74 0.50 1.98 1.02 0.51 -4.29 119.74 120.68 1ua2 s LYS 152 Ca 0.60 -0.13 -0.20 0.00 0.02 0.00 0.00 55.97 56.26 1ua2 s LYS 152 Cb -0.36 -0.74 -0.08 0.00 -0.52 0.00 0.00 37.83 36.13 1ua2 s LYS 152 CO 0.34 -0.02 1.05 -0.51 -0.92 0.00 0.00 175.35 175.29 1ua2 s LEU 153 N 0.63 3.80 0.00 3.17 1.43 0.45 -0.92 118.68 127.24 1ua2 s LEU 153 Ca -0.08 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.96 1ua2 s LEU 153 Cb -0.12 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.54 1ua2 s LEU 153 CO 0.00 -0.88 0.00 0.00 0.23 0.00 0.00 176.35 175.71 1ua2 n ALA 154 N -1.12 0.00 -1.50 4.21 0.00 0.70 -1.89 120.51 120.91 1ua2 n ALA 154 Ca 0.09 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 53.02 1ua2 n ALA 154 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 1ua2 n ALA 154 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ua2 n ASP 155 N -1.54 0.08 -0.86 0.00 8.00 -1.26 -4.74 116.55 116.23 1ua2 n ASP 155 Ca 0.00 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.65 1ua2 n ASP 155 Cb 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 1ua2 n ASP 155 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1ua2 n PHE 156 N 0.92 0.00 0.00 1.24 1.16 -1.26 -4.81 117.46 114.71 1ua2 n PHE 156 Ca 0.17 -0.35 0.00 0.00 -1.87 0.00 0.00 57.45 55.40 1ua2 n PHE 156 Cb 0.20 -0.20 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1ua2 n PHE 156 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1ua2 n GLY 157 N 0.37 0.56 0.00 4.97 0.00 -1.26 -4.07 105.19 105.76 1ua2 n GLY 157 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1ua2 n GLY 157 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ua2 n LEU 158 N 0.00 0.00 0.30 0.99 -0.00 -1.26 -2.26 117.00 114.77 1ua2 n LEU 158 Ca 0.00 0.17 0.11 0.00 -0.00 0.00 0.00 56.01 56.29 1ua2 n LEU 158 Cb 0.00 -0.17 0.58 0.00 -0.00 0.00 0.00 43.42 43.83 1ua2 n LEU 158 CO 0.00 -0.17 1.03 0.00 -0.00 0.00 0.00 177.39 178.25 1ua2 h ALA 159 N 1.56 1.41 -1.92 1.47 0.00 -1.88 -2.47 119.26 117.44 1ua2 h ALA 159 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ua2 h ALA 159 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ua2 h ALA 159 CO 0.00 -0.41 0.00 1.17 0.00 0.00 0.00 179.25 180.01 1ua2 n LYS 160 N -2.64 0.00 0.00 0.00 4.81 -0.96 -4.70 118.16 114.67 1ua2 n LYS 160 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1ua2 n LYS 160 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 1ua2 n LYS 160 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1ua2 n SER 161 N -1.54 0.00 0.11 3.14 3.41 -1.23 -0.54 113.62 116.97 1ua2 n SER 161 Ca 0.00 0.11 0.13 0.00 -0.26 0.00 0.00 58.87 58.84 1ua2 n SER 161 Cb 0.00 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.38 1ua2 n SER 161 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ua2 n PHE 162 N -0.43 0.87 0.03 7.33 3.01 -1.26 -3.58 117.46 123.43 1ua2 n PHE 162 Ca 0.00 0.27 -0.17 0.00 1.01 0.00 0.00 57.45 58.56 1ua2 n PHE 162 Cb 0.00 -0.94 -0.07 0.00 -0.01 0.00 0.00 39.48 38.46 1ua2 n PHE 162 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1ua2 h GLY 163 N 4.00 0.69 0.00 1.37 0.00 -0.31 -3.46 103.07 105.35 1ua2 h GLY 163 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 47.33 46.21 1ua2 h GLY 163 CO 0.00 0.99 0.00 1.44 0.00 0.00 0.00 176.54 178.97 1ua2 n SER 164 N -3.84 0.00 -5.03 0.19 7.64 -0.56 -4.91 113.62 107.12 1ua2 n SER 164 Ca -0.08 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.60 1ua2 n SER 164 Cb 0.82 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 64.08 1ua2 n SER 164 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ua2 s PRO 165 N 0.06 2.32 0.00 1.43 0.04 -1.26 -5.10 135.00 132.49 1ua2 s PRO 165 Ca 0.00 -1.66 0.00 0.00 0.04 0.00 0.00 61.00 59.38 1ua2 s PRO 165 Cb 0.00 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1ua2 s PRO 165 CO 0.00 -0.82 0.00 0.09 0.04 0.00 0.00 177.00 176.31 1ua2 n ASN 166 N -2.20 0.00 -3.60 6.66 3.02 -1.26 -4.91 115.26 112.97 1ua2 n ASN 166 Ca 0.14 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.68 1ua2 n ASN 166 Cb 0.62 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.74 1ua2 n ASN 166 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ua2 s ARG 167 N 0.00 0.53 1.14 3.52 3.00 -1.26 -4.82 118.95 121.07 1ua2 s ARG 167 Ca 0.00 1.23 -0.19 0.00 0.00 0.00 0.00 55.73 56.77 1ua2 s ARG 167 Cb 0.00 0.62 0.29 0.00 0.00 0.00 0.00 34.95 35.86 1ua2 s ARG 167 CO 0.00 -0.16 0.83 0.00 0.00 0.00 0.00 175.30 175.96 1ua2 n ALA 168 N 5.05 -3.67 -2.81 2.13 0.00 -1.17 -4.94 120.51 115.10 1ua2 n ALA 168 Ca -0.13 -1.33 -0.21 0.00 0.00 0.00 0.00 53.44 51.76 1ua2 n ALA 168 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 1ua2 n ALA 168 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ua2 s TYR 169 N -2.29 3.40 0.00 0.00 1.51 -1.26 -4.91 117.35 113.80 1ua2 s TYR 169 Ca 0.58 0.04 0.00 0.00 -1.01 0.00 0.00 57.07 56.68 1ua2 s TYR 169 Cb -0.08 -1.73 0.00 0.00 -0.11 0.00 0.00 41.96 40.04 1ua2 s TYR 169 CO 0.47 0.28 0.00 0.72 -1.11 0.00 0.00 175.55 175.90 1ua2 n HIS 171 N -1.55 0.00 0.00 2.71 8.25 -1.26 -4.86 115.22 118.52 1ua2 n HIS 171 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1ua2 n HIS 171 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 1ua2 n HIS 171 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1ua2 n GLN 172 N 0.00 0.00 -1.71 -0.41 1.13 -1.26 -5.03 117.38 110.10 1ua2 n GLN 172 Ca 0.00 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.63 1ua2 n GLN 172 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.32 1ua2 n GLN 172 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1ua2 n VAL 173 N -0.33 0.08 0.00 5.09 3.14 -1.26 -5.01 118.33 120.04 1ua2 n VAL 173 Ca 0.00 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1ua2 n VAL 173 Cb 0.00 -1.97 0.00 0.00 -1.06 0.00 0.00 33.84 30.81 1ua2 n VAL 173 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1ua2 n VAL 174 N 4.08 0.00 0.00 1.55 3.14 -1.26 -5.12 118.33 120.72 1ua2 n VAL 174 Ca 0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.55 1ua2 n VAL 174 Cb 0.35 -0.40 0.00 0.00 -1.06 0.00 0.00 33.84 32.72 1ua2 n VAL 174 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1ua2 n THR 175 N 0.00 0.00 -1.89 1.55 -2.24 -1.26 -5.00 114.28 105.44 1ua2 n THR 175 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1ua2 n THR 175 Cb 0.00 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.24 1ua2 n THR 175 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1ua2 n ARG 176 N 0.77 0.08 0.00 -0.78 1.85 -1.26 -4.77 116.66 112.55 1ua2 n ARG 176 Ca 0.00 -1.06 0.03 0.00 -1.00 0.00 0.00 57.85 55.82 1ua2 n ARG 176 Cb 0.00 -0.56 0.18 0.00 -1.05 0.00 0.00 32.46 31.03 1ua2 n ARG 176 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 1ua2 n TRP 177 N -0.08 0.00 -0.28 2.89 8.01 -1.26 -2.29 117.44 124.43 1ua2 n TRP 177 Ca 0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.20 1ua2 n TRP 177 Cb 0.69 -0.30 0.00 0.00 -2.01 0.00 0.00 31.31 29.68 1ua2 n TRP 177 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1ua2 n TYR 178 N -1.30 0.00 -1.84 -5.99 4.02 -1.26 -4.57 117.16 106.22 1ua2 n TYR 178 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.50 1ua2 n TYR 178 Cb 0.06 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.35 1ua2 n TYR 178 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1ua2 s ARG 179 N -0.02 4.17 0.55 -0.72 3.52 -0.97 -4.22 118.95 121.26 1ua2 s ARG 179 Ca 0.00 2.43 -0.19 0.00 -0.13 0.00 0.00 55.73 57.84 1ua2 s ARG 179 Cb 0.00 -3.59 -0.05 0.00 -1.56 0.00 0.00 34.95 29.75 1ua2 s ARG 179 CO 0.00 -0.77 1.13 0.00 -0.81 0.00 0.00 175.30 174.84 1ua2 s ALA 180 N 2.65 2.68 0.27 6.12 0.00 -1.26 -4.81 121.76 127.41 1ua2 s ALA 180 Ca 0.77 0.80 -0.00 0.00 0.00 0.00 0.00 51.96 53.52 1ua2 s ALA 180 Cb -0.42 -3.36 0.53 0.00 0.00 0.00 0.00 23.12 19.87 1ua2 s ALA 180 CO 0.34 -0.80 1.80 -1.00 0.00 0.00 0.00 175.76 176.10 1ua2 h PRO 181 N 1.12 0.78 -0.77 0.00 0.13 -1.94 0.03 132.00 131.34 1ua2 h PRO 181 Ca -0.50 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.59 1ua2 h PRO 181 Cb 1.26 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 1ua2 h PRO 181 CO 0.57 0.52 0.51 1.05 -0.23 0.00 0.00 178.00 180.42 1ua2 h GLU 182 N 0.81 1.01 -0.41 0.86 9.09 -1.92 0.44 114.58 124.46 1ua2 h GLU 182 Ca 0.47 -0.06 -0.05 0.00 0.05 0.00 0.00 59.36 59.77 1ua2 h GLU 182 Cb 0.56 -0.23 -0.02 0.00 -1.65 0.00 0.00 28.75 27.41 1ua2 h GLU 182 CO -0.30 0.67 0.07 -0.07 0.05 0.00 0.00 179.01 179.42 1ua2 h LEU 183 N 1.04 0.66 -1.27 3.06 3.38 -1.34 0.13 115.31 120.97 1ua2 h LEU 183 Ca 0.28 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1ua2 h LEU 183 Cb -0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1ua2 h LEU 183 CO -0.06 0.75 0.20 -0.07 0.09 0.00 0.00 178.44 179.34 1ua2 h LEU 184 N 0.54 0.64 -1.36 1.67 3.38 -0.20 1.05 115.31 121.02 1ua2 h LEU 184 Ca 0.13 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ua2 h LEU 184 Cb 0.37 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ua2 h LEU 184 CO 0.01 0.58 0.00 0.49 0.09 0.00 0.00 178.44 179.60 1ua2 n PHE 185 N -4.35 0.52 -2.87 1.13 0.99 0.14 -4.88 117.46 108.13 1ua2 n PHE 185 Ca 0.04 -0.21 -0.18 0.00 -0.00 0.00 0.00 57.45 57.10 1ua2 n PHE 185 Cb 0.15 -0.10 0.03 0.00 -1.00 0.00 0.00 39.48 38.56 1ua2 n PHE 185 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ua2 n GLY 186 N 0.63 -0.26 3.76 1.37 0.00 0.36 -1.38 105.19 109.67 1ua2 n GLY 186 Ca 0.09 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1ua2 n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ua2 n ALA 187 N -3.22 2.45 0.07 4.61 0.00 0.31 -4.50 120.51 120.23 1ua2 n ALA 187 Ca -0.09 0.35 -0.00 0.00 0.00 0.00 0.00 53.44 53.71 1ua2 n ALA 187 Cb 0.59 -2.44 -0.05 0.00 0.00 0.00 0.00 19.45 17.56 1ua2 n ALA 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ua2 h ARG 188 N 3.70 0.00 -5.91 0.00 2.47 -1.93 -3.45 114.38 109.25 1ua2 h ARG 188 Ca -0.49 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 57.56 1ua2 h ARG 188 Cb 1.23 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.44 1ua2 h ARG 188 CO 0.70 0.44 -0.58 0.00 0.56 0.00 0.00 179.97 181.09 1ua2 s MET 189 N -2.90 3.10 0.09 0.04 0.23 -1.26 -5.08 119.30 113.51 1ua2 s MET 189 Ca -0.00 -0.38 -0.27 0.00 -1.03 0.00 0.00 55.69 54.02 1ua2 s MET 189 Cb 0.08 -2.90 0.08 0.00 -1.53 0.00 0.00 34.83 30.57 1ua2 s MET 189 CO 0.79 0.70 0.99 1.52 -2.03 0.00 0.00 175.02 177.00 1ua2 s TYR 190 N -1.01 -0.17 0.00 3.16 -0.85 -1.26 -5.02 117.35 112.19 1ua2 s TYR 190 Ca 0.17 -0.07 0.00 0.00 -0.52 0.00 0.00 57.07 56.65 1ua2 s TYR 190 Cb -0.12 0.60 0.00 0.00 0.38 0.00 0.00 41.96 42.82 1ua2 s TYR 190 CO 0.06 -0.67 0.00 0.41 -1.52 0.00 0.00 175.55 173.83 1ua2 n GLY 191 N -0.41 2.84 0.06 5.49 0.00 -1.26 -5.03 105.19 106.88 1ua2 n GLY 191 Ca -0.07 -0.72 0.02 0.00 0.00 0.00 0.00 46.02 45.26 1ua2 n GLY 191 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ua2 n VAL 192 N 0.00 -0.08 0.24 1.61 0.24 -1.26 -0.21 118.33 118.87 1ua2 n VAL 192 Ca 0.00 0.40 0.09 0.00 -2.04 0.00 0.00 64.34 62.78 1ua2 n VAL 192 Cb 0.00 -0.57 0.46 0.00 -1.47 0.00 0.00 33.84 32.26 1ua2 n VAL 192 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1ua2 h GLY 193 N 0.00 0.00 0.39 7.63 0.00 -1.90 -1.62 103.07 107.58 1ua2 h GLY 193 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 1ua2 h GLY 193 CO -0.17 0.00 -0.10 -2.08 0.00 0.00 0.00 176.54 174.19 1ua2 h VAL 194 N 0.00 0.72 -0.95 4.60 2.07 -0.94 -0.73 116.25 121.01 1ua2 h VAL 194 Ca 0.00 -1.01 0.10 0.00 0.82 0.00 0.00 66.70 66.61 1ua2 h VAL 194 Cb 0.81 1.19 -0.08 0.00 -1.52 0.00 0.00 31.29 31.69 1ua2 h VAL 194 CO 0.00 0.18 0.59 0.44 0.02 0.00 0.00 177.57 178.80 1ua2 h ASP 195 N -0.89 0.89 -0.56 0.57 5.19 -1.53 -2.50 116.42 117.59 1ua2 h ASP 195 Ca -0.03 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 1ua2 h ASP 195 Cb 0.51 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.85 1ua2 h ASP 195 CO 0.05 0.51 0.23 0.24 -3.12 0.00 0.00 179.24 177.15 1ua2 h MET 196 N 0.99 0.84 0.00 3.56 2.86 -1.36 0.21 114.93 122.02 1ua2 h MET 196 Ca 0.45 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.90 1ua2 h MET 196 Cb 0.37 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1ua2 h MET 196 CO -0.24 0.72 -0.24 2.35 1.06 0.00 0.00 176.91 180.56 1ua2 h TRP 197 N 0.77 0.00 0.02 -0.22 2.91 -0.70 -0.69 115.95 118.04 1ua2 h TRP 197 Ca 0.19 0.00 -0.20 0.00 1.13 0.00 0.00 58.89 60.01 1ua2 h TRP 197 Cb 0.18 0.00 0.02 0.00 -0.51 0.00 0.00 29.16 28.85 1ua2 h TRP 197 CO 0.01 0.24 -0.81 0.00 -1.03 0.00 0.00 178.44 176.85 1ua2 h ALA 198 N 1.76 0.07 -0.40 2.65 0.00 -1.06 -1.17 119.26 121.12 1ua2 h ALA 198 Ca -0.00 -0.63 0.08 0.00 0.00 0.00 0.00 54.91 54.35 1ua2 h ALA 198 Cb 0.46 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1ua2 h ALA 198 CO 0.03 0.48 -0.04 0.28 0.00 0.00 0.00 179.25 180.01 1ua2 h VAL 199 N 0.07 0.66 -0.54 0.00 2.07 -0.62 0.60 116.25 118.49 1ua2 h VAL 199 Ca -0.11 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.44 1ua2 h VAL 199 Cb 1.50 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 1ua2 h VAL 199 CO 0.16 0.01 -0.32 0.61 0.02 0.00 0.00 177.57 178.05 1ua2 n GLY 200 N -1.29 -2.60 0.26 2.17 0.00 -0.30 0.98 105.19 104.43 1ua2 n GLY 200 Ca 0.03 0.87 -0.00 0.00 0.00 0.00 0.00 46.02 46.91 1ua2 n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ua2 h ILE 202 N 0.67 0.62 -0.97 0.00 2.04 0.10 -0.26 117.51 119.71 1ua2 h ILE 202 Ca 0.32 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.32 1ua2 h ILE 202 Cb 0.25 0.62 -0.09 0.00 -0.74 0.00 0.00 36.82 36.85 1ua2 h ILE 202 CO -0.21 0.00 0.60 0.25 0.00 0.00 0.00 178.15 178.79 1ua2 h LEU 203 N -0.34 0.84 -0.24 1.44 5.85 0.24 0.16 115.31 123.26 1ua2 h LEU 203 Ca 0.02 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1ua2 h LEU 203 Cb 0.35 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1ua2 h LEU 203 CO -0.08 0.41 0.07 0.00 -0.34 0.00 0.00 178.44 178.50 1ua2 h ALA 204 N 1.56 0.31 -0.42 1.25 0.00 -0.14 -2.16 119.26 119.66 1ua2 h ALA 204 Ca 0.51 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1ua2 h ALA 204 Cb 0.59 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1ua2 h ALA 204 CO -0.30 -0.06 0.28 1.49 0.00 0.00 0.00 179.25 180.66 1ua2 h GLU 205 N 0.21 0.53 -0.70 0.00 4.81 0.39 0.24 114.58 120.07 1ua2 h GLU 205 Ca 0.08 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1ua2 h GLU 205 Cb 0.24 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1ua2 h GLU 205 CO -0.00 0.35 0.35 -0.07 -0.73 0.00 0.00 179.01 178.91 1ua2 h LEU 206 N 0.55 0.91 0.16 1.64 3.38 -0.13 0.81 115.31 122.63 1ua2 h LEU 206 Ca 0.16 -0.12 -0.23 0.00 0.09 0.00 0.00 57.88 57.77 1ua2 h LEU 206 Cb -0.03 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 40.51 1ua2 h LEU 206 CO -0.04 0.77 -1.05 -0.07 0.09 0.00 0.00 178.44 178.15 1ua2 h LEU 207 N 0.97 0.53 -0.06 1.67 3.38 -0.59 -3.25 115.31 117.96 1ua2 h LEU 207 Ca 0.24 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1ua2 h LEU 207 Cb 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1ua2 h LEU 207 CO -0.03 1.49 0.00 0.18 0.09 0.00 0.00 178.44 180.17 1ua2 n LEU 208 N -4.01 0.60 -2.64 1.67 4.32 0.69 -4.91 117.00 112.72 1ua2 n LEU 208 Ca -0.16 0.56 -0.18 0.00 -0.02 0.00 0.00 56.01 56.21 1ua2 n LEU 208 Cb 0.89 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1ua2 n LEU 208 CO 0.50 -0.17 -0.15 -1.14 -1.22 0.00 0.00 177.39 175.20 1ua2 n ARG 209 N -2.07 -2.68 -3.53 3.23 3.00 0.28 -4.91 116.66 109.97 1ua2 n ARG 209 Ca 0.06 0.78 -0.17 0.00 -0.00 0.00 0.00 57.85 58.52 1ua2 n ARG 209 Cb 0.39 -5.47 -0.06 0.00 0.00 0.00 0.00 32.46 27.32 1ua2 n ARG 209 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1ua2 s VAL 210 N -2.90 0.01 0.11 5.15 1.01 -1.18 -4.78 120.40 117.82 1ua2 s VAL 210 Ca 0.10 -0.05 -0.33 0.00 0.00 0.00 0.00 61.98 61.70 1ua2 s VAL 210 Cb -0.05 -0.97 -0.12 0.00 0.00 0.00 0.00 36.38 35.24 1ua2 s VAL 210 CO 0.13 -0.03 1.72 -2.65 0.00 0.00 0.00 175.10 174.27 1ua2 n PRO 211 N 0.79 2.41 0.02 2.72 -0.02 -1.26 -4.22 135.00 135.44 1ua2 n PRO 211 Ca -0.19 0.87 -0.13 0.00 -2.02 0.00 0.00 63.50 62.04 1ua2 n PRO 211 Cb 0.58 -2.70 -0.09 0.00 -0.02 0.00 0.00 33.50 31.26 1ua2 n PRO 211 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1ua2 h PHE 212 N 7.36 -0.06 -2.23 6.00 3.57 -1.90 -3.39 116.94 126.28 1ua2 h PHE 212 Ca -0.46 -0.00 -0.59 0.00 3.53 0.00 0.00 57.97 60.45 1ua2 h PHE 212 Cb 1.24 0.02 -0.41 0.00 2.79 0.00 0.00 35.95 39.59 1ua2 h PHE 212 CO 0.72 0.38 -0.76 1.28 -2.23 0.00 0.00 178.31 177.69 1ua2 n LEU 213 N -4.91 2.40 -4.61 0.59 4.77 -1.26 -5.06 117.00 108.93 1ua2 n LEU 213 Ca -0.08 -5.14 -0.43 0.00 -0.03 0.00 0.00 56.01 50.32 1ua2 n LEU 213 Cb 0.24 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1ua2 n LEU 213 CO 0.32 2.02 1.13 -2.84 -1.33 0.00 0.00 177.39 176.70 1ua2 s PRO 214 N -1.86 3.72 -0.19 3.23 0.02 -1.26 -4.62 135.00 134.02 1ua2 s PRO 214 Ca 0.37 0.87 -0.03 0.00 0.02 0.00 0.00 61.00 62.23 1ua2 s PRO 214 Cb 0.13 -3.94 -0.01 0.00 0.02 0.00 0.00 34.50 30.70 1ua2 s PRO 214 CO -0.07 -1.38 -0.05 0.20 -0.33 0.00 0.00 177.00 175.37 1ua2 s GLY 215 N 3.08 1.62 0.25 0.52 0.00 -1.26 -4.86 107.32 106.68 1ua2 s GLY 215 Ca 0.55 -1.05 -0.03 0.00 0.00 0.00 0.00 44.72 44.19 1ua2 s GLY 215 CO 0.30 0.23 1.79 -0.55 0.00 0.00 0.00 173.10 174.86 1ua2 h ASP 216 N 7.59 0.61 -0.21 1.64 5.19 -1.94 -3.43 116.42 125.87 1ua2 h ASP 216 Ca -0.36 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 1ua2 h ASP 216 Cb 1.18 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.65 1ua2 h ASP 216 CO 0.60 0.31 0.00 -1.54 -3.12 0.00 0.00 179.24 175.48 1ua2 n SER 217 N -4.80 0.00 -0.08 6.45 3.41 -1.26 -5.02 113.62 112.32 1ua2 n SER 217 Ca 0.15 -0.11 -0.14 0.00 -0.26 0.00 0.00 58.87 58.51 1ua2 n SER 217 Cb 0.35 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.21 1ua2 n SER 217 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ua2 h ASP 218 N 0.00 0.00 -0.39 4.04 5.19 -1.98 -1.93 116.42 121.36 1ua2 h ASP 218 Ca 0.00 -0.52 0.11 0.00 -0.62 0.00 0.00 57.03 56.00 1ua2 h ASP 218 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1ua2 h ASP 218 CO 0.00 1.12 0.33 0.25 -3.12 0.00 0.00 179.24 177.82 1ua2 h LEU 219 N -1.00 0.00 0.28 1.55 5.85 -1.98 0.44 115.31 120.45 1ua2 h LEU 219 Ca -0.15 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1ua2 h LEU 219 Cb 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1ua2 h LEU 219 CO -0.09 0.00 -0.14 -0.78 -0.34 0.00 0.00 178.44 177.09 1ua2 h ASP 220 N 0.00 -0.32 -0.78 1.25 3.58 -1.95 -2.39 116.42 115.81 1ua2 h ASP 220 Ca 0.18 -0.17 0.17 0.00 0.42 0.00 0.00 57.03 57.64 1ua2 h ASP 220 Cb 0.84 0.08 -0.14 0.00 1.72 0.00 0.00 39.33 41.83 1ua2 h ASP 220 CO -0.00 0.17 -0.06 -0.61 -2.88 0.00 0.00 179.24 175.85 1ua2 h GLN 221 N -0.99 0.06 -0.58 0.28 5.75 -0.20 0.37 115.11 119.80 1ua2 h GLN 221 Ca -0.04 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 1ua2 h GLN 221 Cb 0.47 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 1ua2 h GLN 221 CO 0.06 0.04 0.32 -0.07 -2.65 0.00 0.00 178.83 176.54 1ua2 h LEU 222 N 0.06 0.71 -0.28 -2.39 3.38 -0.26 0.22 115.31 116.75 1ua2 h LEU 222 Ca 0.41 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 58.14 1ua2 h LEU 222 Cb 0.71 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1ua2 h LEU 222 CO -0.73 0.59 -0.44 0.00 0.09 0.00 0.00 178.44 177.96 1ua2 h THR 223 N 0.78 1.29 -0.49 0.22 1.03 -0.34 0.72 112.91 116.13 1ua2 h THR 223 Ca 0.20 -1.62 0.07 0.00 -0.01 0.00 0.00 66.41 65.05 1ua2 h THR 223 Cb 0.03 1.64 -0.06 0.00 -1.07 0.00 0.00 68.15 68.69 1ua2 h THR 223 CO -0.03 0.52 0.16 0.03 -0.01 0.00 0.00 175.52 176.19 1ua2 h ARG 224 N 0.55 0.32 0.25 0.00 3.08 -0.03 0.26 114.38 118.81 1ua2 h ARG 224 Ca 0.03 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1ua2 h ARG 224 Cb 1.03 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.98 1ua2 h ARG 224 CO 0.10 0.21 -0.44 0.82 -1.07 0.00 0.00 179.97 179.59 1ua2 h ILE 225 N 0.33 0.13 -0.38 2.04 2.04 -0.53 -2.56 117.51 118.59 1ua2 h ILE 225 Ca 0.23 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.93 1ua2 h ILE 225 Cb 0.26 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1ua2 h ILE 225 CO -0.25 0.00 -0.40 -0.26 0.00 0.00 0.00 178.15 177.23 1ua2 h PHE 226 N -0.76 1.13 -0.19 1.37 0.05 0.05 0.71 116.94 119.30 1ua2 h PHE 226 Ca -0.01 -0.35 -0.05 0.00 3.82 0.00 0.00 57.97 61.39 1ua2 h PHE 226 Cb 0.73 -0.23 -0.01 0.00 2.00 0.00 0.00 35.95 38.43 1ua2 h PHE 226 CO -0.32 1.18 -0.11 1.05 -0.18 0.00 0.00 178.31 179.93 1ua2 h GLU 227 N 0.76 0.29 0.14 1.51 4.11 -0.58 1.17 114.58 121.98 1ua2 h GLU 227 Ca 0.06 -0.07 -0.24 0.00 0.07 0.00 0.00 59.36 59.18 1ua2 h GLU 227 Cb 1.00 -0.04 0.03 0.00 0.50 0.00 0.00 28.75 30.24 1ua2 h GLU 227 CO 0.10 0.41 -1.02 1.15 0.07 0.00 0.00 179.01 179.72 1ua2 h THR 228 N 0.28 1.41 -0.02 -1.06 2.02 -0.95 -3.34 112.91 111.25 1ua2 h THR 228 Ca 0.06 -2.49 0.00 0.00 0.77 0.00 0.00 66.41 64.74 1ua2 h THR 228 Cb 0.37 2.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 1ua2 h THR 228 CO 0.02 0.73 -0.24 0.18 0.37 0.00 0.00 175.52 176.58 1ua2 n LEU 229 N -3.99 2.32 0.00 2.58 4.77 0.24 -0.51 117.00 122.42 1ua2 n LEU 229 Ca -0.14 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 1ua2 n LEU 229 Cb 0.90 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 1ua2 n LEU 229 CO 0.53 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1ua2 n GLY 230 N 1.30 -1.03 3.73 -0.72 0.00 0.40 -4.71 105.19 104.17 1ua2 n GLY 230 Ca 0.10 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 1ua2 n GLY 230 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ua2 s THR 231 N -2.26 4.34 0.32 2.61 -4.23 -0.62 -4.60 115.64 111.20 1ua2 s THR 231 Ca 0.00 2.04 -0.28 0.00 -1.18 0.00 0.00 61.69 62.27 1ua2 s THR 231 Cb 0.00 -4.30 -0.09 0.00 1.34 0.00 0.00 72.50 69.45 1ua2 s THR 231 CO 0.00 0.36 1.12 -2.84 -0.54 0.00 0.00 174.62 172.72 1ua2 s PRO 232 N -0.31 4.45 0.09 3.99 0.02 -1.26 -4.73 135.00 137.25 1ua2 s PRO 232 Ca 0.46 1.80 -0.01 0.00 0.02 0.00 0.00 61.00 63.27 1ua2 s PRO 232 Cb -0.24 -3.00 0.02 0.00 0.02 0.00 0.00 34.50 31.29 1ua2 s PRO 232 CO 0.31 0.04 0.06 2.41 -0.33 0.00 0.00 177.00 179.49 1ua2 n THR 233 N 0.80 0.00 0.03 0.99 -1.04 -1.26 -4.82 114.28 108.97 1ua2 n THR 233 Ca 0.01 -0.01 -0.12 0.00 -2.04 0.00 0.00 64.05 61.88 1ua2 n THR 233 Cb 0.45 -0.36 -0.14 0.00 -1.82 0.00 0.00 70.33 68.47 1ua2 n THR 233 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1ua2 h GLU 234 N 0.00 0.12 -0.44 -2.82 4.57 -1.97 -2.96 114.58 111.07 1ua2 h GLU 234 Ca -0.03 -0.20 -0.13 0.00 -1.18 0.00 0.00 59.36 57.82 1ua2 h GLU 234 Cb 0.08 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1ua2 h GLU 234 CO 0.02 0.88 -0.25 1.05 -1.18 0.00 0.00 179.01 179.53 1ua2 h GLU 235 N 0.03 0.92 -0.58 1.92 9.09 -2.00 -2.12 114.58 121.83 1ua2 h GLU 235 Ca -0.23 -0.40 0.00 0.00 0.05 0.00 0.00 59.36 58.78 1ua2 h GLU 235 Cb 1.97 -0.03 -0.03 0.00 -1.65 0.00 0.00 28.75 29.02 1ua2 h GLU 235 CO 0.12 1.06 0.38 1.96 0.05 0.00 0.00 179.01 182.57 1ua2 h GLN 236 N 0.79 0.77 -2.68 1.06 4.20 -1.92 -3.39 115.11 113.94 1ua2 h GLN 236 Ca 0.10 -0.05 -0.53 0.00 0.06 0.00 0.00 58.65 58.22 1ua2 h GLN 236 Cb 0.81 -0.17 -0.39 0.00 0.30 0.00 0.00 27.48 28.03 1ua2 h GLN 236 CO 0.07 0.52 -0.79 -0.46 -0.67 0.00 0.00 178.83 177.50 1ua2 s TRP 237 N -6.10 0.38 0.15 2.96 -0.11 -1.12 -3.71 118.94 111.39 1ua2 s TRP 237 Ca -0.13 -1.06 -0.30 0.00 1.22 0.00 0.00 56.10 55.83 1ua2 s TRP 237 Cb 0.13 -0.87 -0.07 0.00 -1.50 0.00 0.00 33.47 31.16 1ua2 s TRP 237 CO 0.75 -0.84 0.97 -1.25 -4.62 0.00 0.00 176.95 171.96 1ua2 s PRO 238 N 1.80 4.73 0.00 5.86 0.04 -0.81 -2.70 135.00 143.92 1ua2 s PRO 238 Ca 0.12 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1ua2 s PRO 238 Cb -0.18 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.02 1ua2 s PRO 238 CO -0.25 0.28 0.00 -0.25 0.04 0.00 0.00 177.00 176.82 1ua2 n ASP 239 N 2.42 0.00 -0.30 6.66 9.92 -1.26 -4.93 116.55 129.06 1ua2 n ASP 239 Ca 0.01 0.00 0.08 0.00 -0.53 0.00 0.00 54.79 54.35 1ua2 n ASP 239 Cb 0.48 0.00 0.23 0.00 -0.64 0.00 0.00 41.12 41.20 1ua2 n ASP 239 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 1ua2 h MET 240 N 3.12 0.58 0.00 -1.24 4.05 -1.86 -2.31 114.93 117.27 1ua2 h MET 240 Ca 0.00 -0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 59.30 1ua2 h MET 240 Cb 0.00 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.66 1ua2 h MET 240 CO 0.00 0.38 -0.41 0.00 0.23 0.00 0.00 176.91 177.11 1ua2 n SER 242 N -3.92 0.92 -4.74 0.00 3.41 -0.87 -4.67 113.62 103.73 1ua2 n SER 242 Ca -0.01 -2.02 -0.42 0.00 -0.26 0.00 0.00 58.87 56.15 1ua2 n SER 242 Cb 0.46 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.24 1ua2 n SER 242 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ua2 n LEU 243 N -0.06 4.32 -0.28 1.04 4.32 -1.04 -4.92 117.00 120.38 1ua2 n LEU 243 Ca 0.05 1.16 0.28 0.00 -0.02 0.00 0.00 56.01 57.48 1ua2 n LEU 243 Cb 0.16 -1.58 0.63 0.00 -1.62 0.00 0.00 43.42 41.01 1ua2 n LEU 243 CO 0.04 0.08 1.26 -0.65 -1.22 0.00 0.00 177.39 176.90 1ua2 h PRO 244 N 4.32 0.18 -0.04 3.23 0.11 -1.78 -1.69 132.00 136.33 1ua2 h PRO 244 Ca -0.47 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1ua2 h PRO 244 Cb 1.23 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1ua2 h PRO 244 CO 0.76 0.12 -0.37 -0.25 -0.21 0.00 0.00 178.00 178.05 1ua2 n ASP 245 N -4.39 1.93 -4.69 -2.05 8.00 -0.48 -5.01 116.55 109.86 1ua2 n ASP 245 Ca 0.23 -3.75 -0.42 0.00 0.71 0.00 0.00 54.79 51.56 1ua2 n ASP 245 Cb 1.00 -0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 41.54 1ua2 n ASP 245 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1ua2 s TYR 246 N -3.18 2.50 0.07 1.24 5.04 -0.64 -4.82 117.35 117.57 1ua2 s TYR 246 Ca 0.38 0.38 0.08 0.00 -2.44 0.00 0.00 57.07 55.47 1ua2 s TYR 246 Cb 0.36 -3.93 -0.04 0.00 0.35 0.00 0.00 41.96 38.70 1ua2 s TYR 246 CO -0.04 -3.71 -0.17 0.08 -1.34 0.00 0.00 175.55 170.36 1ua2 s VAL 247 N 2.54 2.88 0.03 3.14 1.01 -1.26 -5.03 120.40 123.70 1ua2 s VAL 247 Ca 0.73 -1.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 1ua2 s VAL 247 Cb -0.39 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1ua2 s VAL 247 CO 0.32 0.23 0.96 -0.89 0.00 0.00 0.00 175.10 175.71 1ua2 s THR 248 N -1.03 4.77 0.13 3.92 2.01 -1.26 -5.06 115.64 119.12 1ua2 s THR 248 Ca 0.16 2.03 0.04 0.00 0.31 0.00 0.00 61.69 64.23 1ua2 s THR 248 Cb -0.11 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 1ua2 s THR 248 CO 0.08 0.21 0.14 -0.36 -0.69 0.00 0.00 174.62 174.00 1ua2 s PHE 249 N 0.69 3.24 -0.04 4.92 0.40 -1.26 -5.05 117.98 120.88 1ua2 s PHE 249 Ca 0.50 0.05 -0.37 0.00 -0.60 0.00 0.00 56.93 56.51 1ua2 s PHE 249 Cb -0.21 -1.59 -0.15 0.00 0.51 0.00 0.00 43.02 41.57 1ua2 s PHE 249 CO 0.28 0.53 1.57 1.63 0.70 0.00 0.00 175.22 179.92 1ua2 n LYS 250 N -0.06 1.40 -2.13 0.44 5.02 -1.26 -4.87 118.16 116.71 1ua2 n LYS 250 Ca -0.08 0.51 -0.42 0.00 -2.02 0.00 0.00 58.31 56.30 1ua2 n LYS 250 Cb 0.53 -2.21 -0.03 0.00 -0.02 0.00 0.00 35.03 33.31 1ua2 n LYS 250 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ua2 s SER 251 N 1.96 6.77 -0.08 4.39 1.04 -1.26 -4.79 113.70 121.73 1ua2 s SER 251 Ca 0.89 2.23 0.02 0.00 0.48 0.00 0.00 55.95 59.57 1ua2 s SER 251 Cb -0.92 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 62.61 1ua2 s SER 251 CO 0.52 -0.77 -0.12 -0.36 0.98 0.00 0.00 173.24 173.49 1ua2 s PHE 252 N 2.47 2.79 0.23 5.02 0.40 -1.26 -4.94 117.98 122.68 1ua2 s PHE 252 Ca 0.67 -0.28 -0.06 0.00 -0.60 0.00 0.00 56.93 56.66 1ua2 s PHE 252 Cb -0.34 -1.72 0.21 0.00 0.51 0.00 0.00 43.02 41.68 1ua2 s PHE 252 CO 0.28 0.08 1.77 -1.35 0.70 0.00 0.00 175.22 176.70 1ua2 h PRO 253 N 5.79 1.07 -0.05 0.24 0.11 -1.89 -1.65 132.00 135.63 1ua2 h PRO 253 Ca -0.40 -0.23 0.00 0.00 0.11 0.00 0.00 66.00 65.49 1ua2 h PRO 253 Cb 1.18 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1ua2 h PRO 253 CO 0.53 0.92 -0.01 0.41 -0.21 0.00 0.00 178.00 179.63 1ua2 n GLY 254 N -0.79 -2.76 3.80 -0.55 0.00 -1.25 -3.93 105.19 99.71 1ua2 n GLY 254 Ca 0.06 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.36 1ua2 n GLY 254 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ua2 s ILE 255 N -3.78 4.95 0.62 -0.61 1.09 0.33 -4.75 121.20 119.05 1ua2 s ILE 255 Ca 0.00 1.02 -0.18 0.00 -1.10 0.00 0.00 60.65 60.39 1ua2 s ILE 255 Cb 0.00 -3.81 -0.02 0.00 -1.06 0.00 0.00 42.46 37.57 1ua2 s ILE 255 CO 0.00 0.51 1.20 -2.84 -0.10 0.00 0.00 174.94 173.71 1ua2 s PRO 256 N -0.70 2.81 0.42 2.79 0.02 -1.26 -4.73 135.00 134.34 1ua2 s PRO 256 Ca 0.26 1.77 0.09 0.00 0.02 0.00 0.00 61.00 63.14 1ua2 s PRO 256 Cb -0.17 -1.91 0.90 0.00 0.02 0.00 0.00 34.50 33.33 1ua2 s PRO 256 CO 0.15 -1.32 2.03 -0.07 -0.33 0.00 0.00 177.00 177.46 1ua2 h LEU 257 N 0.58 0.33 -1.37 -5.54 4.07 -1.95 0.18 115.31 111.61 1ua2 h LEU 257 Ca -0.50 -0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.42 1ua2 h LEU 257 Cb 1.29 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.94 1ua2 h LEU 257 CO 0.54 0.31 -0.11 -0.74 -1.08 0.00 0.00 178.44 177.36 1ua2 h HIS 258 N 0.37 0.00 0.15 1.13 2.76 -1.91 -0.89 115.15 116.75 1ua2 h HIS 258 Ca 0.09 0.00 -0.25 0.00 -2.20 0.00 0.00 60.37 58.01 1ua2 h HIS 258 Cb 0.08 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.05 1ua2 h HIS 258 CO 0.00 0.11 -1.19 0.45 -1.30 0.00 0.00 177.93 176.00 1ua2 h HIS 259 N 0.00 0.57 -0.22 5.26 3.86 -1.34 -3.33 115.15 119.95 1ua2 h HIS 259 Ca -0.00 -0.42 0.01 0.00 -1.16 0.00 0.00 60.37 58.80 1ua2 h HIS 259 Cb 0.59 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 1ua2 h HIS 259 CO 0.00 1.46 0.13 0.82 0.86 0.00 0.00 177.93 181.20 1ua2 h ILE 260 N -0.25 1.03 -3.52 2.45 2.04 -1.14 -3.37 117.51 114.76 1ua2 h ILE 260 Ca -0.23 -0.09 -0.65 0.00 1.00 0.00 0.00 64.86 64.89 1ua2 h ILE 260 Cb 1.78 0.74 -0.40 0.00 -0.74 0.00 0.00 36.82 38.20 1ua2 h ILE 260 CO 0.13 0.05 -0.68 -0.36 0.00 0.00 0.00 178.15 177.29 1ua2 s PHE 261 N -6.17 3.42 -0.99 1.37 0.40 -0.36 -4.90 117.98 110.74 1ua2 s PHE 261 Ca -0.13 -3.06 0.25 0.00 -0.60 0.00 0.00 56.93 53.39 1ua2 s PHE 261 Cb 0.09 -2.84 0.51 0.00 0.51 0.00 0.00 43.02 41.29 1ua2 s PHE 261 CO 0.69 -0.84 1.42 0.43 0.70 0.00 0.00 175.22 177.62 1ua2 n SER 262 N 3.69 0.50 0.17 1.36 7.64 -1.25 -2.38 113.62 123.35 1ua2 n SER 262 Ca 0.04 -0.23 0.02 0.00 1.01 0.00 0.00 58.87 59.71 1ua2 n SER 262 Cb 0.37 0.24 0.28 0.00 -1.01 0.00 0.00 64.21 64.09 1ua2 n SER 262 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ua2 h ALA 263 N 2.99 1.05 -2.74 -0.43 0.00 -1.90 -3.48 119.26 114.75 1ua2 h ALA 263 Ca 0.00 -0.43 -0.51 0.00 0.00 0.00 0.00 54.91 53.97 1ua2 h ALA 263 Cb 0.51 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.24 1ua2 h ALA 263 CO 0.00 0.59 0.50 0.00 0.00 0.00 0.00 179.25 180.34 1ua2 s ALA 264 N -3.70 3.41 0.21 0.00 0.00 -1.00 -5.05 121.76 115.62 1ua2 s ALA 264 Ca -0.01 0.90 -0.08 0.00 0.00 0.00 0.00 51.96 52.77 1ua2 s ALA 264 Cb 0.12 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 1ua2 s ALA 264 CO 0.72 -0.23 0.49 0.20 0.00 0.00 0.00 175.76 176.94 1ua2 s GLY 265 N -0.43 2.22 0.44 0.00 0.00 -1.26 -4.84 107.32 103.44 1ua2 s GLY 265 Ca 0.48 -0.40 0.26 0.00 0.00 0.00 0.00 44.72 45.06 1ua2 s GLY 265 CO 0.39 -0.28 1.73 -0.55 0.00 0.00 0.00 173.10 174.39 1ua2 h ASP 266 N 2.54 0.30 1.27 1.64 3.32 -1.97 0.65 116.42 124.16 1ua2 h ASP 266 Ca -0.47 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1ua2 h ASP 266 Cb 1.17 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1ua2 h ASP 266 CO 0.70 -0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.68 1ua2 n ASP 267 N -4.55 0.50 -0.09 6.45 8.00 -1.26 -0.98 116.55 124.61 1ua2 n ASP 267 Ca 0.29 0.55 -0.14 0.00 0.71 0.00 0.00 54.79 56.20 1ua2 n ASP 267 Cb 1.12 -0.68 -0.06 0.00 -0.02 0.00 0.00 41.12 41.48 1ua2 n ASP 267 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1ua2 n LEU 268 N -1.97 1.87 -0.31 0.64 7.94 0.20 -3.31 117.00 122.06 1ua2 n LEU 268 Ca 0.06 0.47 -0.08 0.00 -1.11 0.00 0.00 56.01 55.35 1ua2 n LEU 268 Cb 0.39 -0.86 -0.07 0.00 0.53 0.00 0.00 43.42 43.41 1ua2 n LEU 268 CO 0.29 -0.06 0.36 0.18 -1.11 0.00 0.00 177.39 177.05 1ua2 n LEU 269 N -4.48 -0.78 -0.32 -1.96 4.77 0.40 0.78 117.00 115.42 1ua2 n LEU 269 Ca -0.23 1.32 0.21 0.00 -0.03 0.00 0.00 56.01 57.28 1ua2 n LEU 269 Cb 0.53 -0.18 0.42 0.00 -2.33 0.00 0.00 43.42 41.86 1ua2 n LEU 269 CO 0.14 -1.08 1.02 0.44 -1.33 0.00 0.00 177.39 176.57 1ua2 h ASP 270 N 0.00 0.23 0.35 -1.43 3.32 -1.17 0.72 116.42 118.44 1ua2 h ASP 270 Ca 0.13 0.21 -0.21 0.00 0.02 0.00 0.00 57.03 57.18 1ua2 h ASP 270 Cb 0.31 0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 1ua2 h ASP 270 CO -0.70 -0.21 -0.88 0.25 -1.72 0.00 0.00 179.24 175.98 1ua2 h LEU 271 N 0.21 0.48 -0.06 1.55 5.85 0.37 -2.55 115.31 121.16 1ua2 h LEU 271 Ca 0.68 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 1ua2 h LEU 271 Cb 1.55 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.43 1ua2 h LEU 271 CO -0.68 1.15 0.04 0.40 -0.34 0.00 0.00 178.44 179.01 1ua2 h ILE 272 N 0.23 1.04 -0.88 4.05 2.04 0.16 -1.42 117.51 122.74 1ua2 h ILE 272 Ca -0.06 -0.10 0.23 0.00 1.00 0.00 0.00 64.86 65.92 1ua2 h ILE 272 Cb 1.50 1.00 -0.15 0.00 -0.74 0.00 0.00 36.82 38.42 1ua2 h ILE 272 CO 0.15 0.03 0.10 -0.61 0.00 0.00 0.00 178.15 177.82 1ua2 h GLN 273 N 0.05 0.11 0.00 2.37 5.75 0.52 -0.54 115.11 123.37 1ua2 h GLN 273 Ca 0.02 -0.01 -0.15 0.00 -0.15 0.00 0.00 58.65 58.36 1ua2 h GLN 273 Cb 0.02 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1ua2 h GLN 273 CO -0.00 0.07 -0.73 0.78 -2.65 0.00 0.00 178.83 176.30 1ua2 h GLY 274 N 0.11 0.00 2.00 2.39 0.00 -1.20 -2.87 103.07 103.50 1ua2 h GLY 274 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1ua2 h GLY 274 CO -0.75 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.20 1ua2 h LEU 275 N 0.00 0.00 -2.23 3.11 3.38 0.01 -1.24 115.31 118.34 1ua2 h LEU 275 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ua2 h LEU 275 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1ua2 h LEU 275 CO 0.09 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.11 1ua2 n PHE 276 N -2.57 0.18 -1.67 1.13 3.01 -0.94 -4.16 117.46 112.44 1ua2 n PHE 276 Ca 0.03 -0.29 -0.49 0.00 1.01 0.00 0.00 57.45 57.72 1ua2 n PHE 276 Cb 0.37 -0.02 -0.05 0.00 -0.01 0.00 0.00 39.48 39.77 1ua2 n PHE 276 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1ua2 n LEU 277 N 0.29 2.98 -0.16 4.37 4.77 -1.10 -4.86 117.00 123.29 1ua2 n LEU 277 Ca 0.06 1.04 -0.05 0.00 -0.03 0.00 0.00 56.01 57.03 1ua2 n LEU 277 Cb 0.29 -1.34 0.04 0.00 -2.33 0.00 0.00 43.42 40.08 1ua2 n LEU 277 CO 0.05 -0.30 1.04 -0.26 -1.33 0.00 0.00 177.39 176.59 1ua2 h PHE 278 N 7.29 0.52 -2.28 -1.77 -1.00 -1.92 -3.42 116.94 114.35 1ua2 h PHE 278 Ca -0.47 0.02 -0.57 0.00 2.81 0.00 0.00 57.97 59.76 1ua2 h PHE 278 Cb 1.28 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 40.66 1ua2 h PHE 278 CO 0.75 0.29 1.39 1.21 -1.61 0.00 0.00 178.31 180.33 1ua2 s ASN 279 N -5.55 5.57 0.63 2.17 2.47 -1.24 -4.83 114.94 114.15 1ua2 s ASN 279 Ca -0.13 1.45 0.23 0.00 0.42 0.00 0.00 52.86 54.83 1ua2 s ASN 279 Cb 0.13 -2.52 1.07 0.00 -1.45 0.00 0.00 41.25 38.48 1ua2 s ASN 279 CO 0.73 -1.94 1.56 -0.65 -3.72 0.00 0.00 177.10 173.09 1ua2 h PRO 280 N 14.38 0.00 0.00 0.43 0.11 -1.94 0.20 132.00 145.18 1ua2 h PRO 280 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1ua2 h PRO 280 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ua2 h PRO 280 CO 1.03 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.82 1ua2 h ALA 282 N 0.00 0.54 -2.64 0.00 0.00 -1.05 -3.46 119.26 112.64 1ua2 h ALA 282 Ca 0.00 -0.69 -0.55 0.00 0.00 0.00 0.00 54.91 53.67 1ua2 h ALA 282 Cb 0.19 -0.12 0.08 0.00 0.00 0.00 0.00 17.79 17.95 1ua2 h ALA 282 CO 0.00 0.95 0.80 -2.13 0.00 0.00 0.00 179.25 178.87 1ua2 n ARG 283 N -3.34 2.50 -1.38 0.00 0.63 -0.32 -4.90 116.66 109.86 1ua2 n ARG 283 Ca 0.01 0.89 -0.35 0.00 -0.92 0.00 0.00 57.85 57.47 1ua2 n ARG 283 Cb 0.82 -2.63 0.09 0.00 0.45 0.00 0.00 32.46 31.19 1ua2 n ARG 283 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 1ua2 n ILE 284 N 2.06 3.11 -4.20 5.15 3.06 -0.47 -4.93 119.36 123.15 1ua2 n ILE 284 Ca 0.09 -0.36 -0.24 0.00 -2.50 0.00 0.00 62.75 59.75 1ua2 n ILE 284 Cb 0.35 -1.21 -0.06 0.00 0.54 0.00 0.00 39.64 39.26 1ua2 n ILE 284 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 1ua2 s THR 285 N -1.79 3.93 0.10 9.51 2.01 -1.26 -4.86 115.64 123.27 1ua2 s THR 285 Ca 0.75 -1.56 -0.28 0.00 0.31 0.00 0.00 61.69 60.92 1ua2 s THR 285 Cb -0.34 -3.07 -0.10 0.00 0.01 0.00 0.00 72.50 69.00 1ua2 s THR 285 CO 0.48 -0.28 1.64 0.00 -0.69 0.00 0.00 174.62 175.77 1ua2 h ALA 286 N 2.01 -0.51 -0.32 7.40 0.00 -1.93 0.73 119.26 126.64 1ua2 h ALA 286 Ca -0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1ua2 h ALA 286 Cb 1.23 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1ua2 h ALA 286 CO 0.60 -0.83 0.15 0.00 0.00 0.00 0.00 179.25 179.17 1ua2 h THR 287 N -0.53 1.11 -0.47 0.00 1.03 -1.88 0.11 112.91 112.28 1ua2 h THR 287 Ca 0.01 -0.33 -0.02 0.00 -0.01 0.00 0.00 66.41 66.06 1ua2 h THR 287 Cb 0.51 0.71 -0.02 0.00 -1.07 0.00 0.00 68.15 68.29 1ua2 h THR 287 CO -0.10 0.13 0.21 1.56 -0.01 0.00 0.00 175.52 177.31 1ua2 h GLN 288 N 0.44 0.69 0.47 0.00 4.20 -1.24 -1.18 115.11 118.49 1ua2 h GLN 288 Ca 0.11 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1ua2 h GLN 288 Cb 0.05 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1ua2 h GLN 288 CO -0.02 0.60 -0.25 0.00 -0.67 0.00 0.00 178.83 178.50 1ua2 h ALA 289 N 1.05 -0.67 -1.07 3.87 0.00 0.13 -2.43 119.26 120.14 1ua2 h ALA 289 Ca 0.16 -0.14 0.29 0.00 0.00 0.00 0.00 54.91 55.22 1ua2 h ALA 289 Cb 0.16 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 1ua2 h ALA 289 CO -0.02 -0.88 0.71 -0.07 0.00 0.00 0.00 179.25 178.99 1ua2 h LEU 290 N -0.67 0.35 -0.55 0.00 3.38 -0.66 0.40 115.31 117.57 1ua2 h LEU 290 Ca -0.06 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ua2 h LEU 290 Cb 0.52 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ua2 h LEU 290 CO 0.09 0.05 0.00 0.29 0.09 0.00 0.00 178.44 178.96 1ua2 n LYS 291 N -4.55 1.35 -2.93 1.13 5.02 -0.46 -4.74 118.16 112.98 1ua2 n LYS 291 Ca 0.26 -0.54 -0.36 0.00 -2.02 0.00 0.00 58.31 55.65 1ua2 n LYS 291 Cb 0.97 -1.26 -0.06 0.00 -0.02 0.00 0.00 35.03 34.66 1ua2 n LYS 291 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1ua2 s MET 292 N -1.86 4.40 0.23 1.97 1.75 0.14 -4.96 119.30 120.98 1ua2 s MET 292 Ca 0.23 1.10 -0.08 0.00 -1.25 0.00 0.00 55.69 55.69 1ua2 s MET 292 Cb 0.12 -2.78 0.38 0.00 2.84 0.00 0.00 34.83 35.38 1ua2 s MET 292 CO 0.18 0.31 1.65 0.87 -0.65 0.00 0.00 175.02 177.37 1ua2 h LYS 293 N 3.17 0.12 -1.10 4.11 1.79 -1.89 -0.71 116.57 122.06 1ua2 h LYS 293 Ca -0.47 -0.01 0.32 0.00 -2.18 0.00 0.00 60.65 58.31 1ua2 h LYS 293 Cb 1.19 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.77 1ua2 h LYS 293 CO 0.65 0.08 1.10 -0.92 -1.08 0.00 0.00 179.45 179.27 1ua2 h TYR 294 N 0.12 0.00 0.00 -1.35 3.20 -1.91 0.34 116.97 117.36 1ua2 h TYR 294 Ca 0.38 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 62.04 1ua2 h TYR 294 Cb 0.64 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.88 1ua2 h TYR 294 CO -0.39 0.00 -1.59 1.19 -1.64 0.00 0.00 178.16 175.73 1ua2 n PHE 295 N -3.51 0.86 -0.19 -3.82 3.01 -0.27 -3.54 117.46 110.00 1ua2 n PHE 295 Ca 0.24 0.29 0.02 0.00 1.01 0.00 0.00 57.45 59.01 1ua2 n PHE 295 Cb 1.44 -1.08 0.23 0.00 -0.01 0.00 0.00 39.48 40.06 1ua2 n PHE 295 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1ua2 n SER 296 N -2.88 3.85 -4.59 4.37 3.41 0.12 -4.88 113.62 113.01 1ua2 n SER 296 Ca -0.13 -2.63 -0.25 0.00 -0.26 0.00 0.00 58.87 55.60 1ua2 n SER 296 Cb 0.90 -0.63 -0.10 0.00 -0.26 0.00 0.00 64.21 64.13 1ua2 n SER 296 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ua2 s ASN 297 N -0.46 3.95 0.00 4.04 0.01 -1.06 -5.04 114.94 116.39 1ua2 s ASN 297 Ca 0.34 -1.11 0.00 0.00 -0.71 0.00 0.00 52.86 51.38 1ua2 s ASN 297 Cb 0.26 -0.44 0.00 0.00 0.41 0.00 0.00 41.25 41.48 1ua2 s ASN 297 CO 0.09 -0.23 0.01 -1.14 -1.51 0.00 0.00 177.10 174.32 1ua2 n ARG 298 N -0.88 0.00 -2.95 -0.60 0.00 -1.26 -3.41 116.66 107.55 1ua2 n ARG 298 Ca -0.05 0.01 -0.43 0.00 -0.00 0.00 0.00 57.85 57.38 1ua2 n ARG 298 Cb 0.63 -0.01 -0.05 0.00 0.00 0.00 0.00 32.46 33.03 1ua2 n ARG 298 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 1ua2 s PRO 299 N -2.21 3.28 0.96 -0.14 0.02 -1.26 -5.04 135.00 130.60 1ua2 s PRO 299 Ca 0.00 -0.43 -0.11 0.00 0.02 0.00 0.00 61.00 60.48 1ua2 s PRO 299 Cb 0.00 -4.05 0.17 0.00 0.02 0.00 0.00 34.50 30.64 1ua2 s PRO 299 CO 0.00 -1.35 1.10 0.20 -0.33 0.00 0.00 177.00 176.61 1ua2 s GLY 300 N 2.69 1.63 0.03 0.52 0.00 -1.22 -4.92 107.32 106.05 1ua2 s GLY 300 Ca 0.26 0.21 -0.30 0.00 0.00 0.00 0.00 44.72 44.88 1ua2 s GLY 300 CO 0.17 0.72 1.39 2.56 0.00 0.00 0.00 173.10 177.95 1ua2 s PRO 301 N -4.69 4.30 0.34 2.90 0.04 -1.26 -4.92 135.00 131.70 1ua2 s PRO 301 Ca 0.66 1.99 -0.28 0.00 0.04 0.00 0.00 61.00 63.40 1ua2 s PRO 301 Cb -0.22 -3.49 -0.12 0.00 0.04 0.00 0.00 34.50 30.71 1ua2 s PRO 301 CO 0.59 -0.53 1.36 0.25 0.04 0.00 0.00 177.00 178.72 1ua2 n THR 302 N 4.46 1.86 -1.35 1.26 -2.24 -1.06 -4.81 114.28 112.41 1ua2 n THR 302 Ca 0.13 -0.47 -0.32 0.00 -2.27 0.00 0.00 64.05 61.12 1ua2 n THR 302 Cb 0.43 -1.68 0.09 0.00 -2.10 0.00 0.00 70.33 67.07 1ua2 n THR 302 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1ua2 s PRO 303 N -1.74 2.20 0.18 -0.78 0.02 -1.26 -4.73 135.00 128.89 1ua2 s PRO 303 Ca 0.56 1.39 -0.24 0.00 0.02 0.00 0.00 61.00 62.74 1ua2 s PRO 303 Cb -0.55 -1.88 0.08 0.00 0.02 0.00 0.00 34.50 32.17 1ua2 s PRO 303 CO 0.61 -1.71 1.57 0.78 -0.33 0.00 0.00 177.00 177.92 1ua2 h GLY 304 N -0.76 -0.33 2.00 0.52 0.00 -1.75 -1.69 103.07 101.05 1ua2 h GLY 304 Ca -0.45 0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1ua2 h GLY 304 CO 0.50 -0.17 0.00 0.00 0.00 0.00 0.00 176.54 176.87 1ua2 n GLN 306 N -2.82 1.40 -3.06 0.00 6.02 -0.66 -4.92 117.38 113.35 1ua2 n GLN 306 Ca 0.02 -0.59 -0.38 0.00 -0.01 0.00 0.00 57.00 56.04 1ua2 n GLN 306 Cb 0.33 -1.44 -0.06 0.00 1.02 0.00 0.00 30.24 30.09 1ua2 n GLN 306 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1ua2 s LEU 307 N -1.84 4.51 0.42 1.08 2.96 0.33 -4.91 118.68 121.24 1ua2 s LEU 307 Ca 0.38 1.53 -0.26 0.00 -0.22 0.00 0.00 54.13 55.56 1ua2 s LEU 307 Cb 0.19 -3.33 -0.09 0.00 0.50 0.00 0.00 46.19 43.47 1ua2 s LEU 307 CO 0.31 0.17 1.38 -2.16 -1.32 0.00 0.00 176.35 174.73 1ua2 s PRO 308 N -1.39 3.85 -0.01 0.98 0.04 -1.26 -4.93 135.00 132.29 1ua2 s PRO 308 Ca 0.37 2.33 0.04 0.00 0.04 0.00 0.00 61.00 63.78 1ua2 s PRO 308 Cb -0.21 -2.74 -0.01 0.00 0.04 0.00 0.00 34.50 31.59 1ua2 s PRO 308 CO 0.24 -0.65 -0.13 1.03 0.04 0.00 0.00 177.00 177.53 1ua2 s ARG 309 N -2.32 1.00 0.79 4.56 0.52 -1.26 -5.03 118.95 117.21 1ua2 s ARG 309 Ca 0.58 -0.47 -0.11 0.00 -0.52 0.00 0.00 55.73 55.22 1ua2 s ARG 309 Cb -0.42 -0.97 0.08 0.00 0.52 0.00 0.00 34.95 34.17 1ua2 s ARG 309 CO 0.54 0.26 1.14 -2.14 0.02 0.00 0.00 175.30 175.13 1ua2 s PRO 310 N -0.36 1.94 0.00 3.54 0.02 -1.26 -4.95 135.00 133.94 1ua2 s PRO 310 Ca 0.04 -0.03 0.00 0.00 0.02 0.00 0.00 61.00 61.04 1ua2 s PRO 310 Cb -0.05 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.47 1ua2 s PRO 310 CO -0.00 -1.55 0.39 0.09 -0.33 0.00 0.00 177.00 175.59