#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9t n ALA 2 N 0.00 0.00 -1.70 -5.12 0.00 -1.26 -4.87 120.51 107.57 1a9t n ALA 2 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 53.44 52.87 1a9t n ALA 2 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1a9t n ALA 2 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1a9t n ASN 3 N -1.32 2.27 -0.55 0.00 5.15 -1.26 -4.85 115.26 114.70 1a9t n ASN 3 Ca 0.00 1.08 0.13 0.00 -0.60 0.00 0.00 54.58 55.19 1a9t n ASN 3 Cb 0.00 -1.14 0.39 0.00 -0.53 0.00 0.00 39.78 38.50 1a9t n ASN 3 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1a9t n GLY 4 N 3.98 0.13 3.75 8.20 0.00 -1.26 -4.88 105.19 115.11 1a9t n GLY 4 Ca 0.26 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1a9t n GLY 4 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a9t s TYR 5 N -2.09 3.53 0.33 1.61 2.02 -1.26 -5.08 117.35 116.40 1a9t s TYR 5 Ca 0.33 0.75 0.03 0.00 -0.37 0.00 0.00 57.07 57.81 1a9t s TYR 5 Cb 0.20 -2.38 -0.02 0.00 -0.40 0.00 0.00 41.96 39.36 1a9t s TYR 5 CO 0.36 0.30 0.49 0.95 -1.57 0.00 0.00 175.55 176.09 1a9t s THR 6 N 0.21 4.75 0.33 -0.71 -4.23 -1.26 -4.99 115.64 109.73 1a9t s THR 6 Ca 0.21 -0.75 0.07 0.00 -1.18 0.00 0.00 61.69 60.04 1a9t s THR 6 Cb -0.14 -3.70 0.31 0.00 1.34 0.00 0.00 72.50 70.31 1a9t s THR 6 CO 0.07 -0.36 1.83 0.22 -0.54 0.00 0.00 174.62 175.84 1a9t h TYR 7 N 0.85 0.94 -0.14 3.99 3.20 -2.01 -0.57 116.97 123.23 1a9t h TYR 7 Ca -0.49 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.36 1a9t h TYR 7 Cb 1.24 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 1a9t h TYR 7 CO 0.46 0.29 -0.13 0.93 -1.64 0.00 0.00 178.16 178.08 1a9t h GLU 8 N 0.75 0.21 -0.69 1.82 3.07 -1.99 -2.48 114.58 115.27 1a9t h GLU 8 Ca 0.51 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.27 1a9t h GLU 8 Cb 0.79 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.64 1a9t h GLU 8 CO -0.27 0.35 0.21 -0.44 -1.40 0.00 0.00 179.01 177.46 1a9t h ASP 9 N 0.21 0.98 -0.03 1.42 3.32 -1.48 0.23 116.42 121.07 1a9t h ASP 9 Ca 0.04 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1a9t h ASP 9 Cb 0.35 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1a9t h ASP 9 CO 0.02 0.92 -0.01 1.88 -1.72 0.00 0.00 179.24 180.33 1a9t h TYR 10 N 1.02 0.07 -0.35 4.55 0.05 -1.43 -2.57 116.97 118.31 1a9t h TYR 10 Ca 0.22 -0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.92 1a9t h TYR 10 Cb 0.29 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 1a9t h TYR 10 CO 0.02 0.41 -0.05 -0.56 -1.05 0.00 0.00 178.16 176.93 1a9t h GLN 11 N -0.29 0.56 -0.27 4.88 3.07 -1.23 -0.28 115.11 121.55 1a9t h GLN 11 Ca 0.01 -0.14 0.02 0.00 0.09 0.00 0.00 58.65 58.62 1a9t h GLN 11 Cb 0.39 -0.07 -0.02 0.00 0.08 0.00 0.00 27.48 27.86 1a9t h GLN 11 CO 0.00 0.63 0.14 -0.44 0.09 0.00 0.00 178.83 179.25 1a9t h ASP 12 N 0.53 0.21 -0.72 0.06 3.32 -0.48 0.30 116.42 119.64 1a9t h ASP 12 Ca 0.11 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 1a9t h ASP 12 Cb 0.42 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1a9t h ASP 12 CO 0.02 0.16 0.28 0.74 -1.72 0.00 0.00 179.24 178.71 1a9t h THR 13 N 0.29 1.25 -0.64 0.35 2.02 -1.09 -1.68 112.91 113.41 1a9t h THR 13 Ca 0.11 -0.80 -0.05 0.00 0.77 0.00 0.00 66.41 66.44 1a9t h THR 13 Cb 0.02 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 1a9t h THR 13 CO -0.07 0.32 0.22 0.00 0.37 0.00 0.00 175.52 176.36 1a9t h ALA 14 N 1.13 0.83 -0.70 6.16 0.00 -0.37 -2.21 119.26 124.12 1a9t h ALA 14 Ca 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1a9t h ALA 14 Cb 0.23 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1a9t h ALA 14 CO -0.02 0.49 0.32 0.87 0.00 0.00 0.00 179.25 180.91 1a9t h LYS 15 N 0.91 1.01 -0.47 0.00 1.79 -0.17 -1.35 116.57 118.30 1a9t h LYS 15 Ca 0.21 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1a9t h LYS 15 Cb 0.27 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 1a9t h LYS 15 CO -0.01 0.81 0.30 2.35 -1.08 0.00 0.00 179.45 181.82 1a9t h TRP 16 N 0.98 0.60 -0.39 -1.35 7.01 -1.05 -0.41 115.95 121.34 1a9t h TRP 16 Ca 0.24 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.21 1a9t h TRP 16 Cb 0.14 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 26.99 1a9t h TRP 16 CO 0.01 0.40 0.10 -0.07 -2.79 0.00 0.00 178.44 176.09 1a9t h LEU 17 N 0.63 0.59 -1.75 0.65 3.38 -1.07 -2.46 115.31 115.28 1a9t h LEU 17 Ca 0.17 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1a9t h LEU 17 Cb -0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1a9t h LEU 17 CO -0.03 0.66 0.12 -0.07 0.09 0.00 0.00 178.44 179.20 1a9t h LEU 18 N 0.49 0.25 -0.08 1.67 3.38 -0.98 -1.12 115.31 118.92 1a9t h LEU 18 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1a9t h LEU 18 Cb 0.29 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1a9t h LEU 18 CO -0.00 0.20 -0.07 -1.20 0.09 0.00 0.00 178.44 177.46 1a9t n SER 19 N -4.49 0.20 -0.11 -0.43 7.64 -0.19 -3.83 113.62 112.42 1a9t n SER 19 Ca 0.00 -0.21 0.01 0.00 1.01 0.00 0.00 58.87 59.68 1a9t n SER 19 Cb 0.09 -0.20 0.02 0.00 -1.01 0.00 0.00 64.21 63.11 1a9t n SER 19 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1a9t n HIS 20 N -1.21 0.04 -3.67 1.43 8.25 -0.45 -5.04 115.22 114.58 1a9t n HIS 20 Ca 0.13 -0.22 -0.14 0.00 -0.26 0.00 0.00 57.72 57.23 1a9t n HIS 20 Cb 0.28 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.29 1a9t n HIS 20 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1a9t s THR 21 N -0.54 0.04 -0.84 1.59 -1.32 -1.06 -5.03 115.64 108.47 1a9t s THR 21 Ca 0.04 -0.35 0.24 0.00 -1.21 0.00 0.00 61.69 60.41 1a9t s THR 21 Cb 0.02 -0.81 -0.04 0.00 -1.51 0.00 0.00 72.50 70.17 1a9t s THR 21 CO 0.03 -0.19 1.26 -1.84 -2.21 0.00 0.00 174.62 171.67 1a9t n GLU 22 N 0.95 0.12 -2.05 7.08 0.00 -1.26 -4.77 120.64 120.71 1a9t n GLU 22 Ca -0.20 0.01 -0.41 0.00 0.00 0.00 0.00 57.16 56.56 1a9t n GLU 22 Cb 0.57 -1.55 -0.02 0.00 0.00 0.00 0.00 31.44 30.43 1a9t n GLU 22 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1a9t s GLN 23 N -3.08 4.29 -0.49 3.44 -1.52 -1.26 -4.99 119.66 116.05 1a9t s GLN 23 Ca 0.08 2.25 0.03 0.00 -1.95 0.00 0.00 55.36 55.77 1a9t s GLN 23 Cb 0.16 -3.13 0.14 0.00 -0.22 0.00 0.00 33.01 29.96 1a9t s GLN 23 CO 0.74 -0.39 0.29 1.03 -0.25 0.00 0.00 175.29 176.71 1a9t s ARG 24 N -0.27 1.58 0.41 2.91 1.81 -1.26 -4.98 118.95 119.15 1a9t s ARG 24 Ca 0.59 -2.35 -0.24 0.00 -1.72 0.00 0.00 55.73 52.01 1a9t s ARG 24 Cb -0.41 -2.64 -0.08 0.00 -0.45 0.00 0.00 34.95 31.37 1a9t s ARG 24 CO 0.42 -1.19 1.11 -1.25 -0.68 0.00 0.00 175.30 173.71 1a9t s PRO 25 N -0.08 4.03 -0.03 3.54 0.04 -1.26 -4.85 135.00 136.38 1a9t s PRO 25 Ca 0.20 1.67 0.12 0.00 0.04 0.00 0.00 61.00 63.02 1a9t s PRO 25 Cb -0.19 -2.55 -0.18 0.00 0.04 0.00 0.00 34.50 31.62 1a9t s PRO 25 CO -0.04 -0.29 0.24 0.00 0.04 0.00 0.00 177.00 176.94 1a9t n GLN 26 N -0.13 0.57 -5.06 4.56 10.64 -0.58 -3.96 117.38 123.42 1a9t n GLN 26 Ca 0.05 -0.10 -0.30 0.00 -1.83 0.00 0.00 57.00 54.82 1a9t n GLN 26 Cb 0.48 -1.28 -0.15 0.00 -0.86 0.00 0.00 30.24 28.43 1a9t n GLN 26 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1a9t s VAL 27 N -2.77 2.10 -0.04 -0.39 1.01 -1.19 -1.05 120.40 118.08 1a9t s VAL 27 Ca -0.04 -1.28 0.06 0.00 0.00 0.00 0.00 61.98 60.72 1a9t s VAL 27 Cb 0.07 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 1a9t s VAL 27 CO 0.49 0.45 -0.22 0.00 0.00 0.00 0.00 175.10 175.82 1a9t s ALA 28 N -0.73 1.88 -0.06 5.51 0.00 0.08 -1.72 121.76 126.72 1a9t s ALA 28 Ca 0.11 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.18 1a9t s ALA 28 Cb -0.10 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1a9t s ALA 28 CO 0.01 0.41 -0.17 0.08 0.00 0.00 0.00 175.76 176.08 1a9t s VAL 29 N -0.29 1.46 -0.24 0.00 1.01 0.39 -0.44 120.40 122.29 1a9t s VAL 29 Ca 0.02 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1a9t s VAL 29 Cb -0.11 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 35.00 1a9t s VAL 29 CO 0.01 0.42 -0.01 -0.63 0.00 0.00 0.00 175.10 174.90 1a9t s ILE 30 N 0.23 3.50 -0.15 2.22 1.01 -0.20 -0.25 121.20 127.55 1a9t s ILE 30 Ca -0.09 -0.59 -0.16 0.00 0.00 0.00 0.00 60.65 59.81 1a9t s ILE 30 Cb -0.13 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1a9t s ILE 30 CO 0.04 0.30 0.41 0.00 0.00 0.00 0.00 174.94 175.69 1a9t n GLY 32 N 3.46 0.46 3.68 0.00 0.00 -1.24 -3.10 105.19 108.46 1a9t n GLY 32 Ca -0.09 -1.86 -0.44 0.00 0.00 0.00 0.00 46.02 43.63 1a9t n GLY 32 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a9t n SER 33 N -1.52 3.66 -0.60 1.61 7.64 -1.26 -1.61 113.62 121.55 1a9t n SER 33 Ca 0.00 1.02 -0.08 0.00 1.01 0.00 0.00 58.87 60.82 1a9t n SER 33 Cb 0.00 -1.48 -0.03 0.00 -1.01 0.00 0.00 64.21 61.68 1a9t n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a9t n GLY 34 N 4.01 0.88 0.39 0.23 0.00 -1.25 -4.55 105.19 104.90 1a9t n GLY 34 Ca 0.18 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1a9t n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a9t n LEU 35 N -0.89 2.32 0.03 0.99 4.77 -0.63 -4.12 117.00 119.47 1a9t n LEU 35 Ca -0.08 -1.69 0.03 0.00 -0.03 0.00 0.00 56.01 54.24 1a9t n LEU 35 Cb 0.42 -0.11 0.16 0.00 -2.33 0.00 0.00 43.42 41.55 1a9t n LEU 35 CO 0.12 0.56 0.60 0.61 -1.33 0.00 0.00 177.39 177.95 1a9t n GLY 36 N 0.26 -0.67 0.27 -0.72 0.00 -1.25 -2.55 105.19 100.52 1a9t n GLY 36 Ca 0.07 0.02 0.17 0.00 0.00 0.00 0.00 46.02 46.28 1a9t n GLY 36 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1a9t h GLY 37 N 0.56 0.00 1.28 -0.02 0.00 -1.95 -3.13 103.07 99.81 1a9t h GLY 37 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 1a9t h GLY 37 CO 0.00 0.00 0.29 1.41 0.00 0.00 0.00 176.54 178.24 1a9t h LEU 38 N 0.00 0.00 -1.53 3.11 3.38 -1.88 -0.96 115.31 117.43 1a9t h LEU 38 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1a9t h LEU 38 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1a9t h LEU 38 CO 0.00 0.00 -0.22 0.58 0.09 0.00 0.00 178.44 178.89 1a9t h VAL 39 N 0.00 0.79 0.00 1.22 2.07 -1.82 -3.17 116.25 115.34 1a9t h VAL 39 Ca 0.13 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1a9t h VAL 39 Cb 0.70 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1a9t h VAL 39 CO -0.00 0.22 0.00 0.59 0.02 0.00 0.00 177.57 178.40 1a9t n ASN 40 N -3.73 0.22 -0.84 0.57 3.02 -0.37 -1.73 115.26 112.40 1a9t n ASN 40 Ca -0.01 0.59 0.12 0.00 -0.03 0.00 0.00 54.58 55.25 1a9t n ASN 40 Cb 0.33 -0.62 0.24 0.00 -0.61 0.00 0.00 39.78 39.12 1a9t n ASN 40 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1a9t n LYS 41 N -1.78 2.15 -2.70 3.52 4.76 -1.20 -4.96 118.16 117.96 1a9t n LYS 41 Ca 0.00 -1.69 -0.40 0.00 -2.87 0.00 0.00 58.31 53.35 1a9t n LYS 41 Cb 0.04 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 31.71 1a9t n LYS 41 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1a9t s LEU 42 N -1.89 4.60 0.08 -0.35 1.43 -0.70 -4.71 118.68 117.14 1a9t s LEU 42 Ca 0.32 1.97 0.05 0.00 -1.03 0.00 0.00 54.13 55.45 1a9t s LEU 42 Cb 0.20 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 1a9t s LEU 42 CO 0.31 0.06 -0.03 0.42 0.23 0.00 0.00 176.35 177.34 1a9t s THR 43 N -0.91 3.87 -1.52 5.49 -4.23 -0.35 -4.51 115.64 113.48 1a9t s THR 43 Ca 0.43 -0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.89 1a9t s THR 43 Cb -0.26 -2.81 0.01 0.00 1.34 0.00 0.00 72.50 70.78 1a9t s THR 43 CO 0.33 0.16 0.64 0.00 -0.54 0.00 0.00 174.62 175.21 1a9t n GLN 44 N 0.75 -4.97 -2.36 3.99 6.02 -1.26 -0.85 117.38 118.71 1a9t n GLN 44 Ca -0.12 0.86 -0.40 0.00 -0.01 0.00 0.00 57.00 57.33 1a9t n GLN 44 Cb 0.52 -5.72 -0.03 0.00 1.02 0.00 0.00 30.24 26.02 1a9t n GLN 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a9t s ALA 45 N -3.17 3.39 -0.06 -1.58 0.00 -1.25 -4.48 121.76 114.61 1a9t s ALA 45 Ca 0.34 1.00 0.02 0.00 0.00 0.00 0.00 51.96 53.31 1a9t s ALA 45 Cb -0.15 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.61 1a9t s ALA 45 CO 0.42 -0.34 -0.10 -1.14 0.00 0.00 0.00 175.76 174.60 1a9t s GLN 46 N -1.68 1.52 -0.01 0.00 0.74 0.07 -4.95 119.66 115.35 1a9t s GLN 46 Ca 0.48 -0.34 0.02 0.00 0.05 0.00 0.00 55.36 55.57 1a9t s GLN 46 Cb -0.34 -1.31 -0.03 0.00 1.10 0.00 0.00 33.01 32.43 1a9t s GLN 46 CO 0.44 -0.02 -0.06 0.99 -0.55 0.00 0.00 175.29 176.09 1a9t s THR 47 N 0.79 3.73 -0.07 -0.34 2.01 -1.26 -0.87 115.64 119.62 1a9t s THR 47 Ca -0.13 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.19 1a9t s THR 47 Cb -0.15 -2.61 0.02 0.00 0.01 0.00 0.00 72.50 69.77 1a9t s THR 47 CO 0.02 0.43 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.96 1a9t s PHE 48 N -0.97 1.11 0.28 4.92 0.08 0.22 -4.98 117.98 118.64 1a9t s PHE 48 Ca 0.16 -0.42 -0.29 0.00 0.12 0.00 0.00 56.93 56.50 1a9t s PHE 48 Cb -0.11 -0.93 -0.09 0.00 -0.57 0.00 0.00 43.02 41.31 1a9t s PHE 48 CO 0.07 -0.31 1.05 0.34 -0.10 0.00 0.00 175.22 176.26 1a9t s ASP 49 N 1.19 7.32 0.44 1.36 2.15 -1.26 -0.17 116.67 127.69 1a9t s ASP 49 Ca -0.06 2.16 0.18 0.00 0.43 0.00 0.00 52.55 55.27 1a9t s ASP 49 Cb -0.14 -2.62 1.13 0.00 -0.30 0.00 0.00 42.92 40.99 1a9t s ASP 49 CO -0.02 -0.10 1.90 1.88 -0.17 0.00 0.00 175.17 178.67 1a9t h TYR 50 N 3.77 0.43 0.00 -5.34 0.05 -1.65 -0.83 116.97 113.40 1a9t h TYR 50 Ca -0.46 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.33 1a9t h TYR 50 Cb 1.21 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.81 1a9t h TYR 50 CO 0.59 0.14 0.00 0.66 -1.05 0.00 0.00 178.16 178.50 1a9t h SER 51 N 0.35 0.00 0.11 3.88 4.64 -1.84 -2.71 113.55 117.99 1a9t h SER 51 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1a9t h SER 51 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1a9t h SER 51 CO -0.12 0.00 -0.86 -1.84 -0.87 0.00 0.00 176.83 173.13 1a9t n GLU 52 N -2.67 0.05 -3.32 4.77 0.28 -0.32 -4.88 120.64 114.56 1a9t n GLU 52 Ca -0.00 -0.04 -0.39 0.00 -0.16 0.00 0.00 57.16 56.56 1a9t n GLU 52 Cb 0.17 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.46 1a9t n GLU 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1a9t s ILE 53 N -2.98 5.12 0.26 3.84 1.01 -1.02 -5.03 121.20 122.40 1a9t s ILE 53 Ca 0.09 0.72 -0.30 0.00 0.00 0.00 0.00 60.65 61.17 1a9t s ILE 53 Cb 0.16 -3.76 -0.14 0.00 0.01 0.00 0.00 42.46 38.73 1a9t s ILE 53 CO 0.82 0.12 1.11 -2.65 0.00 0.00 0.00 174.94 174.35 1a9t n PRO 54 N 5.43 1.43 -0.22 2.79 -0.02 -1.26 -2.24 135.00 140.91 1a9t n PRO 54 Ca -0.06 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1a9t n PRO 54 Cb 0.50 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1a9t n PRO 54 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1a9t n ASN 55 N 1.52 0.00 -4.74 2.55 5.03 -1.26 -4.74 115.26 113.62 1a9t n ASN 55 Ca 0.11 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.15 1a9t n ASN 55 Cb 0.30 -0.84 -0.05 0.00 -1.02 0.00 0.00 39.78 38.18 1a9t n ASN 55 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1a9t s PHE 56 N -2.22 3.75 0.59 3.10 5.36 -0.95 -5.06 117.98 122.54 1a9t s PHE 56 Ca 0.00 1.74 -0.10 0.00 -0.96 0.00 0.00 56.93 57.61 1a9t s PHE 56 Cb 0.00 -3.15 0.14 0.00 -0.34 0.00 0.00 43.02 39.67 1a9t s PHE 56 CO 0.00 -0.13 0.74 -2.30 -1.46 0.00 0.00 175.22 172.07 1a9t n PRO 57 N 2.09 -1.03 -4.54 10.12 -0.02 -1.26 -4.84 135.00 135.52 1a9t n PRO 57 Ca 0.01 -1.15 -0.21 0.00 -2.02 0.00 0.00 63.50 60.12 1a9t n PRO 57 Cb 0.47 -0.82 -0.15 0.00 -0.02 0.00 0.00 33.50 32.98 1a9t n PRO 57 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1a9t s GLU 58 N -4.63 1.08 -0.06 -0.52 0.41 -1.26 -4.70 118.70 109.02 1a9t s GLU 58 Ca 0.43 -0.42 -0.27 0.00 -0.41 0.00 0.00 54.97 54.29 1a9t s GLU 58 Cb -0.02 -1.01 -0.03 0.00 -1.78 0.00 0.00 34.13 31.29 1a9t s GLU 58 CO 0.31 0.22 0.88 -1.54 -0.49 0.00 0.00 175.26 174.64 1a9t s SER 59 N -0.13 7.19 0.00 -0.19 1.04 -1.26 -4.92 113.70 115.43 1a9t s SER 59 Ca 0.02 1.44 0.09 0.00 0.48 0.00 0.00 55.95 57.98 1a9t s SER 59 Cb -0.06 -2.51 0.13 0.00 0.10 0.00 0.00 66.02 63.68 1a9t s SER 59 CO 0.00 -0.26 0.93 0.35 0.98 0.00 0.00 173.24 175.23 1a9t n THR 60 N 4.07 0.33 -3.46 2.02 -2.24 -1.26 -4.79 114.28 108.94 1a9t n THR 60 Ca 0.04 -0.67 -0.37 0.00 -2.27 0.00 0.00 64.05 60.79 1a9t n THR 60 Cb 0.50 0.96 -0.07 0.00 -2.10 0.00 0.00 70.33 69.63 1a9t n THR 60 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1a9t s VAL 61 N -0.84 5.26 0.13 2.28 1.01 -1.26 -5.03 120.40 121.95 1a9t s VAL 61 Ca 0.13 0.69 -0.33 0.00 0.00 0.00 0.00 61.98 62.47 1a9t s VAL 61 Cb 0.08 -3.69 -0.13 0.00 0.00 0.00 0.00 36.38 32.64 1a9t s VAL 61 CO 0.12 0.38 1.67 -2.65 0.00 0.00 0.00 175.10 174.62 1a9t n PRO 62 N 3.54 2.33 0.00 2.72 -0.02 -1.26 -1.10 135.00 141.21 1a9t n PRO 62 Ca -0.10 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1a9t n PRO 62 Cb 0.52 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1a9t n PRO 62 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a9t n GLY 63 N 3.74 0.79 2.74 -1.23 0.00 -1.26 -4.90 105.19 105.06 1a9t n GLY 63 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1a9t n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a9t s HIS 64 N -2.00 1.78 0.28 1.61 3.76 -0.26 -3.76 115.29 116.70 1a9t s HIS 64 Ca 0.00 -1.83 -0.02 0.00 -0.15 0.00 0.00 55.06 53.06 1a9t s HIS 64 Cb 0.00 -1.75 0.43 0.00 1.11 0.00 0.00 32.58 32.37 1a9t s HIS 64 CO 0.00 -0.87 1.93 0.00 -0.85 0.00 0.00 174.74 174.94 1a9t h ALA 65 N 7.94 1.42 -1.98 -1.40 0.00 -1.82 -3.43 119.26 119.99 1a9t h ALA 65 Ca -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1a9t h ALA 65 Cb 1.01 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1a9t h ALA 65 CO 0.47 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.62 1a9t n GLY 66 N -1.39 0.64 3.02 0.00 0.00 0.14 -4.95 105.19 102.65 1a9t n GLY 66 Ca 0.12 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 1a9t n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a9t s ARG 67 N -3.00 0.18 -0.25 1.61 0.52 -1.13 -1.69 118.95 115.18 1a9t s ARG 67 Ca 0.00 0.16 -0.09 0.00 -0.52 0.00 0.00 55.73 55.28 1a9t s ARG 67 Cb 0.00 0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.51 1a9t s ARG 67 CO 0.00 -0.02 0.12 -1.17 0.02 0.00 0.00 175.30 174.24 1a9t s LEU 68 N -0.00 3.73 -0.13 2.53 0.20 0.75 -0.49 118.68 125.28 1a9t s LEU 68 Ca -0.01 -0.08 0.03 0.00 0.69 0.00 0.00 54.13 54.76 1a9t s LEU 68 Cb -0.01 -2.01 0.01 0.00 -0.43 0.00 0.00 46.19 43.74 1a9t s LEU 68 CO 0.00 -0.01 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.14 1a9t s VAL 69 N 1.49 2.02 -0.02 1.68 1.01 -0.18 -0.61 120.40 125.79 1a9t s VAL 69 Ca 0.06 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1a9t s VAL 69 Cb -0.15 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1a9t s VAL 69 CO 0.06 0.55 0.15 -0.36 0.00 0.00 0.00 175.10 175.49 1a9t s PHE 70 N 0.68 3.47 0.00 5.22 0.40 -0.05 -0.40 117.98 127.31 1a9t s PHE 70 Ca -0.11 0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.55 1a9t s PHE 70 Cb -0.16 -1.81 0.00 0.00 0.51 0.00 0.00 43.02 41.56 1a9t s PHE 70 CO 0.01 0.63 0.00 0.41 0.70 0.00 0.00 175.22 176.97 1a9t n GLY 71 N 1.12 -0.52 3.58 4.36 0.00 -0.63 -0.75 105.19 112.36 1a9t n GLY 71 Ca -0.12 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 1a9t n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a9t s ILE 72 N -2.00 4.79 -0.26 -0.61 -1.09 -0.02 -1.06 121.20 120.95 1a9t s ILE 72 Ca 0.00 -0.02 0.03 0.00 -2.23 0.00 0.00 60.65 58.42 1a9t s ILE 72 Cb 0.00 -3.20 0.06 0.00 -1.58 0.00 0.00 42.46 37.74 1a9t s ILE 72 CO 0.00 0.39 -0.10 -0.22 -1.23 0.00 0.00 174.94 173.78 1a9t s LEU 73 N 0.91 3.30 -1.48 2.97 2.96 0.44 -1.21 118.68 126.58 1a9t s LEU 73 Ca 0.05 -1.36 -0.06 0.00 -0.22 0.00 0.00 54.13 52.54 1a9t s LEU 73 Cb -0.14 -1.49 0.05 0.00 0.50 0.00 0.00 46.19 45.11 1a9t s LEU 73 CO 0.03 -0.20 0.60 -3.20 -1.32 0.00 0.00 176.35 172.26 1a9t n ASN 74 N 4.47 -1.61 0.00 3.68 5.15 -1.26 -1.25 115.26 124.44 1a9t n ASN 74 Ca -0.14 -0.96 0.00 0.00 -0.60 0.00 0.00 54.58 52.88 1a9t n ASN 74 Cb 0.42 -3.21 0.00 0.00 -0.53 0.00 0.00 39.78 36.47 1a9t n ASN 74 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1a9t n GLY 75 N -1.78 3.07 3.79 8.20 0.00 -1.26 -4.68 105.19 112.53 1a9t n GLY 75 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1a9t n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a9t s ARG 76 N -0.32 4.03 -0.13 1.61 1.81 -0.38 -5.06 118.95 120.51 1a9t s ARG 76 Ca 0.00 0.23 -0.28 0.00 -1.72 0.00 0.00 55.73 53.95 1a9t s ARG 76 Cb 0.00 -3.32 -0.01 0.00 -0.45 0.00 0.00 34.95 31.17 1a9t s ARG 76 CO 0.00 0.47 0.97 0.00 -0.68 0.00 0.00 175.30 176.06 1a9t s ALA 77 N -0.30 3.45 0.16 2.13 0.00 -1.26 -0.42 121.76 125.52 1a9t s ALA 77 Ca 0.20 0.29 -0.05 0.00 0.00 0.00 0.00 51.96 52.40 1a9t s ALA 77 Cb -0.14 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1a9t s ALA 77 CO 0.08 -0.64 0.19 0.00 0.00 0.00 0.00 175.76 175.40 1a9t s VAL 79 N -4.03 1.36 0.02 0.00 0.11 -0.70 -1.60 120.40 115.56 1a9t s VAL 79 Ca 0.23 -0.67 0.08 0.00 -2.93 0.00 0.00 61.98 58.70 1a9t s VAL 79 Cb 0.05 -1.18 -0.02 0.00 -1.53 0.00 0.00 36.38 33.70 1a9t s VAL 79 CO 0.03 0.40 -0.24 -0.04 -3.33 0.00 0.00 175.10 171.92 1a9t s MET 80 N 0.14 1.74 -0.49 1.54 1.00 0.46 -0.46 119.30 123.24 1a9t s MET 80 Ca -0.06 -0.98 -0.16 0.00 0.00 0.00 0.00 55.69 54.50 1a9t s MET 80 Cb -0.12 -1.82 0.08 0.00 0.00 0.00 0.00 34.83 32.97 1a9t s MET 80 CO 0.02 0.48 0.44 -1.64 0.00 0.00 0.00 175.02 174.33 1a9t s MET 81 N -0.98 3.00 -1.12 2.03 -1.94 0.65 -1.01 119.30 119.92 1a9t s MET 81 Ca 0.10 -1.35 -0.18 0.00 -1.71 0.00 0.00 55.69 52.54 1a9t s MET 81 Cb -0.09 -4.16 0.10 0.00 2.01 0.00 0.00 34.83 32.69 1a9t s MET 81 CO 0.01 -1.10 1.45 -1.14 -0.01 0.00 0.00 175.02 174.23 1a9t s GLN 82 N 1.77 3.82 0.00 2.03 0.74 0.35 -1.01 119.66 127.36 1a9t s GLN 82 Ca 0.05 -1.86 0.00 0.00 0.05 0.00 0.00 55.36 53.61 1a9t s GLN 82 Cb -0.25 -5.24 0.00 0.00 1.10 0.00 0.00 33.01 28.63 1a9t s GLN 82 CO 0.07 -2.02 0.00 0.41 -0.55 0.00 0.00 175.29 173.20 1a9t n GLY 83 N 5.50 2.97 1.29 2.59 0.00 -1.18 -0.68 105.19 115.68 1a9t n GLY 83 Ca 0.36 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 1a9t n GLY 83 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1a9t n ARG 84 N 0.64 0.94 -4.24 1.61 1.85 -1.25 -4.73 116.66 111.47 1a9t n ARG 84 Ca 0.00 -1.33 -0.28 0.00 -1.00 0.00 0.00 57.85 55.24 1a9t n ARG 84 Cb 0.00 0.65 -0.09 0.00 -1.05 0.00 0.00 32.46 31.97 1a9t n ARG 84 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1a9t s PHE 85 N -2.04 2.74 0.08 2.89 0.08 -1.26 -4.63 117.98 115.84 1a9t s PHE 85 Ca 0.06 -0.17 0.03 0.00 0.12 0.00 0.00 56.93 56.97 1a9t s PHE 85 Cb 0.00 -1.37 -0.03 0.00 -0.57 0.00 0.00 43.02 41.05 1a9t s PHE 85 CO 0.05 0.48 -0.09 -1.01 -0.10 0.00 0.00 175.22 174.55 1a9t s HIS 86 N -1.53 0.93 0.32 0.36 3.76 -1.26 -4.92 115.29 112.96 1a9t s HIS 86 Ca 0.24 -0.68 0.15 0.00 -0.15 0.00 0.00 55.06 54.62 1a9t s HIS 86 Cb -0.10 -0.53 0.72 0.00 1.11 0.00 0.00 32.58 33.78 1a9t s HIS 86 CO 0.16 -0.06 1.79 0.00 -0.85 0.00 0.00 174.74 175.79 1a9t h MET 87 N 3.64 0.00 0.00 1.40 -0.00 -1.81 -2.83 114.93 115.32 1a9t h MET 87 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.33 1a9t h MET 87 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.79 1a9t h MET 87 CO 0.53 0.39 0.00 2.48 -0.00 0.00 0.00 176.91 180.31 1a9t n TYR 88 N -3.90 0.07 0.85 -0.10 0.18 -1.26 -1.42 117.16 111.59 1a9t n TYR 88 Ca -0.01 0.03 0.13 0.00 1.88 0.00 0.00 57.90 59.93 1a9t n TYR 88 Cb 0.45 -0.55 0.42 0.00 -0.38 0.00 0.00 39.34 39.28 1a9t n TYR 88 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1a9t n GLU 89 N -1.57 0.11 0.00 -3.48 1.02 -1.07 -4.83 120.64 110.82 1a9t n GLU 89 Ca 0.02 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1a9t n GLU 89 Cb 0.12 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1a9t n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a9t n GLY 90 N 1.43 0.98 3.74 0.62 0.00 -0.51 -5.10 105.19 106.36 1a9t n GLY 90 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1a9t n GLY 90 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a9t s TYR 91 N -2.00 3.64 0.65 1.61 2.02 -1.21 -5.06 117.35 117.00 1a9t s TYR 91 Ca 0.00 1.22 -0.13 0.00 -0.37 0.00 0.00 57.07 57.79 1a9t s TYR 91 Cb 0.00 -2.69 -0.01 0.00 -0.40 0.00 0.00 41.96 38.86 1a9t s TYR 91 CO 0.00 0.24 1.06 -2.14 -1.57 0.00 0.00 175.55 173.14 1a9t s PRO 92 N 0.20 3.08 0.59 -1.71 0.02 -1.26 -4.31 135.00 131.62 1a9t s PRO 92 Ca 0.34 1.08 0.29 0.00 0.02 0.00 0.00 61.00 62.73 1a9t s PRO 92 Cb -0.18 -2.01 1.78 0.00 0.02 0.00 0.00 34.50 34.11 1a9t s PRO 92 CO 0.18 -0.99 2.21 0.74 -0.33 0.00 0.00 177.00 178.81 1a9t h PHE 93 N -0.21 0.00 0.00 6.54 0.04 -1.96 -0.25 116.94 121.10 1a9t h PHE 93 Ca -0.45 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.32 1a9t h PHE 93 Cb 1.22 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.36 1a9t h PHE 93 CO 0.60 0.00 -0.02 0.11 -0.60 0.00 0.00 178.31 178.41 1a9t h TRP 94 N 0.00 0.00 0.12 -0.55 5.08 -1.89 -1.72 115.95 116.99 1a9t h TRP 94 Ca 0.02 0.00 -0.32 0.00 1.08 0.00 0.00 58.89 59.68 1a9t h TRP 94 Cb 0.14 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.30 1a9t h TRP 94 CO 0.00 0.02 -1.66 0.87 -1.28 0.00 0.00 178.44 176.39 1a9t h LYS 95 N 0.00 0.26 -0.90 0.12 1.57 -1.43 -3.27 116.57 112.92 1a9t h LYS 95 Ca -0.00 -0.44 0.10 0.00 -1.87 0.00 0.00 60.65 58.44 1a9t h LYS 95 Cb 0.63 0.16 -0.07 0.00 0.08 0.00 0.00 32.23 33.04 1a9t h LYS 95 CO 0.00 1.21 0.58 0.28 -0.57 0.00 0.00 179.45 180.95 1a9t h VAL 96 N -0.17 0.95 -0.58 0.50 2.07 -1.19 -2.52 116.25 115.31 1a9t h VAL 96 Ca -0.36 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1a9t h VAL 96 Cb 1.87 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1a9t h VAL 96 CO 0.06 0.16 0.00 0.35 0.02 0.00 0.00 177.57 178.17 1a9t n THR 97 N -4.54 0.77 -0.13 2.57 -2.24 -0.66 -4.59 114.28 105.47 1a9t n THR 97 Ca 0.16 -0.79 -0.04 0.00 -2.27 0.00 0.00 64.05 61.10 1a9t n THR 97 Cb 0.32 0.43 0.03 0.00 -2.10 0.00 0.00 70.33 69.02 1a9t n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1a9t h PHE 98 N 3.54 -0.07 -0.61 4.78 3.57 -1.50 -2.58 116.94 124.07 1a9t h PHE 98 Ca 0.00 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.59 1a9t h PHE 98 Cb 0.81 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 1a9t h PHE 98 CO 0.39 -0.11 0.41 -1.35 -2.23 0.00 0.00 178.31 175.41 1a9t h PRO 99 N 0.08 0.59 -0.64 6.41 0.11 -1.83 -2.76 132.00 133.96 1a9t h PRO 99 Ca 0.21 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.32 1a9t h PRO 99 Cb 0.30 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.23 1a9t h PRO 99 CO -0.36 0.39 0.39 0.28 -0.21 0.00 0.00 178.00 178.48 1a9t h VAL 100 N 0.61 1.05 -0.12 3.15 2.07 -1.80 -0.40 116.25 120.81 1a9t h VAL 100 Ca 0.26 -0.26 -0.14 0.00 0.82 0.00 0.00 66.70 67.39 1a9t h VAL 100 Cb 0.26 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1a9t h VAL 100 CO -0.08 0.14 -0.52 0.03 0.02 0.00 0.00 177.57 177.16 1a9t h ARG 101 N 0.74 0.34 -0.63 1.57 3.08 -1.57 -2.45 114.38 115.47 1a9t h ARG 101 Ca 0.27 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1a9t h ARG 101 Cb 0.07 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1a9t h ARG 101 CO -0.12 0.78 0.15 0.28 -1.07 0.00 0.00 179.97 179.98 1a9t h VAL 102 N 0.27 1.26 -0.68 2.04 2.07 -1.28 -2.41 116.25 117.50 1a9t h VAL 102 Ca 0.01 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.62 1a9t h VAL 102 Cb 1.00 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1a9t h VAL 102 CO 0.09 0.35 0.43 -0.26 0.02 0.00 0.00 177.57 178.20 1a9t h PHE 103 N 0.93 0.81 -0.82 1.57 0.04 -0.81 -1.13 116.94 117.52 1a9t h PHE 103 Ca 0.20 0.02 0.05 0.00 2.80 0.00 0.00 57.97 61.04 1a9t h PHE 103 Cb 0.36 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 38.19 1a9t h PHE 103 CO 0.03 0.47 0.52 -0.09 -0.60 0.00 0.00 178.31 178.63 1a9t h ARG 104 N 0.85 0.94 0.00 1.51 9.65 -1.19 -1.39 114.38 124.76 1a9t h ARG 104 Ca 0.27 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 1a9t h ARG 104 Cb -0.00 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.37 1a9t h ARG 104 CO -0.10 0.62 0.00 1.28 2.80 0.00 0.00 179.97 184.58 1a9t n LEU 105 N -4.61 0.16 -0.00 3.80 4.77 -0.53 -2.17 117.00 118.42 1a9t n LEU 105 Ca 0.11 0.53 0.13 0.00 -0.03 0.00 0.00 56.01 56.74 1a9t n LEU 105 Cb 0.13 -0.49 0.34 0.00 -2.33 0.00 0.00 43.42 41.08 1a9t n LEU 105 CO 0.32 -0.18 0.58 0.18 -1.33 0.00 0.00 177.39 176.97 1a9t n LEU 106 N -1.67 0.38 0.00 2.23 4.77 -0.58 -4.92 117.00 117.21 1a9t n LEU 106 Ca 0.05 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1a9t n LEU 106 Cb 0.27 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1a9t n LEU 106 CO 0.21 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1a9t n GLY 107 N 1.50 0.81 3.77 -0.72 0.00 -0.92 -4.81 105.19 104.82 1a9t n GLY 107 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1a9t n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9t s VAL 108 N -2.00 2.60 -0.01 1.61 1.01 -0.87 -4.79 120.40 117.95 1a9t s VAL 108 Ca 0.00 0.55 0.03 0.00 0.00 0.00 0.00 61.98 62.55 1a9t s VAL 108 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1a9t s VAL 108 CO 0.00 0.09 0.05 -0.62 0.00 0.00 0.00 175.10 174.62 1a9t n GLU 109 N 0.22 0.90 -4.70 2.72 1.02 -0.22 -4.60 120.64 115.98 1a9t n GLU 109 Ca 0.03 -0.02 -0.24 0.00 -0.02 0.00 0.00 57.16 56.91 1a9t n GLU 109 Cb 0.43 -1.07 -0.16 0.00 -0.02 0.00 0.00 31.44 30.63 1a9t n GLU 109 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1a9t s THR 110 N -2.17 1.21 -0.12 2.62 2.01 -1.05 -1.89 115.64 116.25 1a9t s THR 110 Ca -0.01 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.40 1a9t s THR 110 Cb 0.02 -1.03 0.00 0.00 0.01 0.00 0.00 72.50 71.50 1a9t s THR 110 CO 0.12 0.35 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.95 1a9t s LEU 111 N -0.08 2.11 -0.21 4.42 2.96 -0.24 -0.75 118.68 126.90 1a9t s LEU 111 Ca 0.00 -0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 53.30 1a9t s LEU 111 Cb -0.09 -1.43 -0.00 0.00 0.50 0.00 0.00 46.19 45.17 1a9t s LEU 111 CO 0.01 0.12 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.40 1a9t s VAL 112 N 0.57 3.19 -0.09 1.68 1.01 0.42 -1.61 120.40 125.56 1a9t s VAL 112 Ca -0.13 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1a9t s VAL 112 Cb -0.17 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 1a9t s VAL 112 CO 0.04 0.44 -0.11 0.68 0.00 0.00 0.00 175.10 176.15 1a9t s VAL 113 N 1.41 3.34 0.16 2.92 -7.23 -0.02 -1.04 120.40 119.95 1a9t s VAL 113 Ca 0.05 -0.59 0.05 0.00 -1.81 0.00 0.00 61.98 59.68 1a9t s VAL 113 Cb -0.14 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 1a9t s VAL 113 CO -0.04 0.56 -0.10 0.42 -0.31 0.00 0.00 175.10 175.63 1a9t s THR 114 N -0.32 1.25 0.14 5.32 -4.23 -0.92 -1.56 115.64 115.32 1a9t s THR 114 Ca 0.04 -2.08 -0.25 0.00 -1.18 0.00 0.00 61.69 58.21 1a9t s THR 114 Cb -0.13 -1.93 0.06 0.00 1.34 0.00 0.00 72.50 71.85 1a9t s THR 114 CO 0.02 -0.68 0.90 0.54 -0.54 0.00 0.00 174.62 174.86 1a9t s ASN 115 N -3.21 -0.24 -0.16 3.99 2.20 -0.98 -3.61 114.94 112.94 1a9t s ASN 115 Ca 0.19 -0.34 -0.06 0.00 -0.94 0.00 0.00 52.86 51.70 1a9t s ASN 115 Cb 0.02 0.51 -0.04 0.00 -2.00 0.00 0.00 41.25 39.74 1a9t s ASN 115 CO 0.02 -0.91 0.05 0.00 -2.94 0.00 0.00 177.10 173.32 1a9t s ALA 116 N -3.36 3.41 0.07 3.54 0.00 -1.26 -0.77 121.76 123.39 1a9t s ALA 116 Ca 0.10 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1a9t s ALA 116 Cb -0.02 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 1a9t s ALA 116 CO 0.00 0.30 -0.06 0.00 0.00 0.00 0.00 175.76 176.01 1a9t s ALA 117 N -0.01 0.71 0.12 0.00 0.00 -0.21 -4.83 121.76 117.55 1a9t s ALA 117 Ca 0.06 -1.10 -0.23 0.00 0.00 0.00 0.00 51.96 50.68 1a9t s ALA 117 Cb -0.12 0.15 -0.07 0.00 0.00 0.00 0.00 23.12 23.07 1a9t s ALA 117 CO 0.01 -0.19 0.69 0.20 0.00 0.00 0.00 175.76 176.47 1a9t s GLY 118 N -2.49 2.82 -0.07 0.00 0.00 -0.08 -2.00 107.32 105.50 1a9t s GLY 118 Ca 0.03 0.23 -0.25 0.00 0.00 0.00 0.00 44.72 44.72 1a9t s GLY 118 CO -0.04 0.71 0.79 -0.32 0.00 0.00 0.00 173.10 174.24 1a9t s GLY 119 N -1.10 2.60 -0.18 0.20 0.00 0.47 -1.03 107.32 108.28 1a9t s GLY 119 Ca 0.33 0.22 0.03 0.00 0.00 0.00 0.00 44.72 45.29 1a9t s GLY 119 CO 0.23 1.39 -0.13 1.04 0.00 0.00 0.00 173.10 175.63 1a9t n LEU 120 N 4.05 2.60 -4.67 0.66 4.77 0.70 -1.85 117.00 123.27 1a9t n LEU 120 Ca 0.01 -0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.49 1a9t n LEU 120 Cb 0.51 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1a9t n LEU 120 CO 0.48 0.75 1.34 0.21 -1.33 0.00 0.00 177.39 178.85 1a9t s ASN 121 N -5.64 6.66 0.51 -1.43 3.84 -0.58 -4.88 114.94 113.42 1a9t s ASN 121 Ca -0.22 2.30 0.24 0.00 0.21 0.00 0.00 52.86 55.39 1a9t s ASN 121 Cb 0.06 -2.54 1.33 0.00 -0.55 0.00 0.00 41.25 39.54 1a9t s ASN 121 CO 0.44 -0.90 1.96 -0.65 -2.79 0.00 0.00 177.10 175.16 1a9t h PRO 122 N 9.08 0.10 0.00 0.43 0.11 -1.92 -0.98 132.00 138.81 1a9t h PRO 122 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1a9t h PRO 122 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1a9t h PRO 122 CO 0.94 0.07 0.00 0.09 -0.21 0.00 0.00 178.00 178.89 1a9t n ASN 123 N -4.39 0.00 -4.83 -2.05 3.02 -1.26 -4.82 115.26 100.93 1a9t n ASN 123 Ca 0.12 -0.35 -0.34 0.00 -0.03 0.00 0.00 54.58 53.98 1a9t n ASN 123 Cb 0.65 -0.19 -0.06 0.00 -0.61 0.00 0.00 39.78 39.57 1a9t n ASN 123 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1a9t s PHE 124 N -2.38 3.49 0.13 3.10 0.40 -0.37 -5.08 117.98 117.26 1a9t s PHE 124 Ca 0.31 1.32 0.08 0.00 -0.60 0.00 0.00 56.93 58.04 1a9t s PHE 124 Cb 0.18 -2.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 1a9t s PHE 124 CO 0.38 0.19 -0.19 -1.21 0.70 0.00 0.00 175.22 175.09 1a9t s GLU 125 N -2.54 1.16 0.21 0.44 0.41 -1.26 -5.02 118.70 112.10 1a9t s GLU 125 Ca 0.50 -1.26 -0.32 0.00 -0.41 0.00 0.00 54.97 53.48 1a9t s GLU 125 Cb -0.13 -1.30 -0.12 0.00 -1.78 0.00 0.00 34.13 30.79 1a9t s GLU 125 CO 0.19 0.28 1.65 0.28 -0.49 0.00 0.00 175.26 177.17 1a9t n VAL 126 N 0.73 0.22 0.00 2.63 0.31 -1.26 -1.53 118.33 119.43 1a9t n VAL 126 Ca -0.17 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1a9t n VAL 126 Cb 0.55 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1a9t n VAL 126 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a9t n GLY 127 N 3.44 0.79 3.76 2.92 0.00 0.23 -5.04 105.19 111.28 1a9t n GLY 127 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1a9t n GLY 127 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a9t s ASP 128 N -1.87 5.14 -0.19 1.61 1.01 -0.58 -4.77 116.67 117.02 1a9t s ASP 128 Ca 0.00 2.25 -0.02 0.00 0.71 0.00 0.00 52.55 55.49 1a9t s ASP 128 Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 1a9t s ASP 128 CO 0.00 -1.62 -0.09 -0.63 0.21 0.00 0.00 175.17 173.05 1a9t s ILE 129 N -1.86 3.12 -0.22 0.77 1.01 -1.26 -0.57 121.20 122.19 1a9t s ILE 129 Ca 0.74 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 60.77 1a9t s ILE 129 Cb -0.26 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 39.82 1a9t s ILE 129 CO 0.35 0.47 -0.07 -0.32 0.00 0.00 0.00 174.94 175.37 1a9t s MET 130 N 1.16 3.23 0.15 2.79 1.75 0.02 -1.80 119.30 126.60 1a9t s MET 130 Ca 0.02 -0.71 -0.30 0.00 -1.25 0.00 0.00 55.69 53.44 1a9t s MET 130 Cb -0.14 -2.93 -0.08 0.00 2.84 0.00 0.00 34.83 34.52 1a9t s MET 130 CO -0.02 -0.23 1.26 -0.51 -0.65 0.00 0.00 175.02 174.86 1a9t s LEU 131 N 1.42 4.41 -0.47 4.11 1.43 0.21 -0.86 118.68 128.93 1a9t s LEU 131 Ca 0.05 2.24 -0.25 0.00 -1.03 0.00 0.00 54.13 55.13 1a9t s LEU 131 Cb -0.14 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.51 1a9t s LEU 131 CO -0.05 -0.48 0.93 -0.63 0.23 0.00 0.00 176.35 176.35 1a9t s ILE 132 N 0.43 4.46 -0.65 -0.59 1.01 -0.63 -0.84 121.20 124.38 1a9t s ILE 132 Ca 0.57 0.70 0.23 0.00 0.00 0.00 0.00 60.65 62.15 1a9t s ILE 132 Cb -0.33 -4.45 -0.11 0.00 0.01 0.00 0.00 42.46 37.57 1a9t s ILE 132 CO 0.34 -0.87 1.04 -2.11 0.00 0.00 0.00 174.94 173.34 1a9t n ARG 133 N 7.21 0.26 -3.72 2.79 1.85 0.02 -4.67 116.66 120.41 1a9t n ARG 133 Ca 0.06 -0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.88 1a9t n ARG 133 Cb 0.48 -1.58 -0.01 0.00 -1.05 0.00 0.00 32.46 30.30 1a9t n ARG 133 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1a9t s ASP 134 N -3.84 -0.16 0.15 2.89 -1.08 -1.21 -4.65 116.67 108.77 1a9t s ASP 134 Ca 0.04 -0.33 -0.05 0.00 -0.52 0.00 0.00 52.55 51.70 1a9t s ASP 134 Cb 0.15 0.41 -0.03 0.00 -1.46 0.00 0.00 42.92 41.99 1a9t s ASP 134 CO 0.80 -0.76 0.17 -1.38 0.52 0.00 0.00 175.17 174.52 1a9t s HIS 135 N -3.09 0.67 -0.12 -5.34 -3.43 -1.26 -1.29 115.29 101.42 1a9t s HIS 135 Ca 0.12 -1.03 -0.00 0.00 -0.80 0.00 0.00 55.06 53.35 1a9t s HIS 135 Cb -0.00 -0.29 0.02 0.00 -1.43 0.00 0.00 32.58 30.88 1a9t s HIS 135 CO 0.00 -0.62 -0.10 0.42 -2.00 0.00 0.00 174.74 172.45 1a9t s ILE 136 N -4.02 1.19 -0.84 -5.38 1.01 -0.35 -4.90 121.20 107.91 1a9t s ILE 136 Ca 0.22 -0.39 -0.14 0.00 0.00 0.00 0.00 60.65 60.33 1a9t s ILE 136 Cb 0.05 -1.18 0.22 0.00 0.01 0.00 0.00 42.46 41.57 1a9t s ILE 136 CO 0.02 0.40 0.78 0.21 0.00 0.00 0.00 174.94 176.34 1a9t s ASN 137 N 1.63 6.78 0.12 3.58 2.47 -1.26 -2.39 114.94 125.87 1a9t s ASN 137 Ca 0.05 -2.72 -0.19 0.00 0.42 0.00 0.00 52.86 50.42 1a9t s ASN 137 Cb -0.13 -2.21 -0.06 0.00 -1.45 0.00 0.00 41.25 37.40 1a9t s ASN 137 CO -0.09 -0.57 1.73 -0.07 -3.72 0.00 0.00 177.10 174.39 1a9t h LEU 138 N 7.76 0.27 -1.54 3.21 3.38 -1.96 -2.57 115.31 123.86 1a9t h LEU 138 Ca 0.11 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1a9t h LEU 138 Cb 1.04 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1a9t h LEU 138 CO 0.76 0.25 0.26 -0.65 0.09 0.00 0.00 178.44 179.15 1a9t h PRO 139 N 0.27 0.56 -0.13 1.13 0.11 -1.86 -1.97 132.00 130.11 1a9t h PRO 139 Ca 0.08 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.11 1a9t h PRO 139 Cb 0.03 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 1a9t h PRO 139 CO -0.01 0.39 -0.09 0.78 -0.21 0.00 0.00 178.00 178.85 1a9t h GLY 140 N 0.61 0.21 1.66 -0.55 0.00 -1.40 -1.97 103.07 101.63 1a9t h GLY 140 Ca 0.15 -0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.42 1a9t h GLY 140 CO -0.03 0.11 0.12 0.74 0.00 0.00 0.00 176.54 177.48 1a9t h PHE 141 N 0.19 0.00 -0.10 5.60 0.04 -1.05 -1.95 116.94 119.67 1a9t h PHE 141 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1a9t h PHE 141 Cb 0.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1a9t h PHE 141 CO 0.00 0.00 0.00 -1.13 -0.60 0.00 0.00 178.31 176.58 1a9t n SER 142 N -4.42 2.84 0.00 2.17 3.41 -0.78 -4.95 113.62 111.89 1a9t n SER 142 Ca 0.01 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 1a9t n SER 142 Cb 0.25 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1a9t n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a9t n GLY 143 N 1.35 0.81 3.56 5.00 0.00 -0.73 -5.02 105.19 110.15 1a9t n GLY 143 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1a9t n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a9t s GLU 144 N -0.73 3.08 -0.12 1.61 2.56 -0.98 -4.87 118.70 119.25 1a9t s GLU 144 Ca 0.00 0.14 -0.10 0.00 0.00 0.00 0.00 54.97 55.01 1a9t s GLU 144 Cb 0.00 -4.22 0.03 0.00 2.00 0.00 0.00 34.13 31.94 1a9t s GLU 144 CO 0.00 -2.24 0.30 1.21 -0.56 0.00 0.00 175.26 173.97 1a9t s ASN 145 N 4.98 -0.32 0.24 -1.70 3.84 -1.26 -3.09 114.94 117.63 1a9t s ASN 145 Ca 0.47 0.61 0.19 0.00 0.21 0.00 0.00 52.86 54.35 1a9t s ASN 145 Cb -0.10 0.61 0.93 0.00 -0.55 0.00 0.00 41.25 42.14 1a9t s ASN 145 CO 0.19 -0.11 1.59 -0.81 -2.79 0.00 0.00 177.10 175.16 1a9t n PRO 146 N 3.08 0.13 0.00 0.43 -0.04 -1.26 -1.97 135.00 135.37 1a9t n PRO 146 Ca -0.14 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 63.96 1a9t n PRO 146 Cb 0.57 -1.84 0.17 0.00 -0.04 0.00 0.00 33.50 32.37 1a9t n PRO 146 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1a9t n LEU 147 N -2.10 2.52 -4.75 1.53 4.77 -1.26 -4.65 117.00 113.06 1a9t n LEU 147 Ca 0.00 -0.85 -0.41 0.00 -0.03 0.00 0.00 56.01 54.72 1a9t n LEU 147 Cb 0.11 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1a9t n LEU 147 CO 0.12 0.43 1.15 -0.60 -1.33 0.00 0.00 177.39 177.16 1a9t s ARG 148 N -2.08 4.22 0.00 3.23 3.52 -0.83 -4.76 118.95 122.25 1a9t s ARG 148 Ca 0.28 2.38 0.00 0.00 -0.13 0.00 0.00 55.73 58.26 1a9t s ARG 148 Cb 0.20 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.50 1a9t s ARG 148 CO 0.35 -0.49 0.00 0.41 -0.81 0.00 0.00 175.30 174.76 1a9t n GLY 149 N 2.26 -1.53 3.60 8.12 0.00 -1.26 -4.23 105.19 112.14 1a9t n GLY 149 Ca 0.07 -2.23 -0.48 0.00 0.00 0.00 0.00 46.02 43.39 1a9t n GLY 149 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a9t n PRO 150 N -0.50 1.35 -2.93 1.61 -0.02 -1.26 -4.94 135.00 128.32 1a9t n PRO 150 Ca 0.00 0.48 -0.40 0.00 -2.02 0.00 0.00 63.50 61.56 1a9t n PRO 150 Cb 0.00 -2.00 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 1a9t n PRO 150 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1a9t s ASN 151 N 0.03 7.39 -0.56 2.55 2.47 -1.26 -5.01 114.94 120.55 1a9t s ASN 151 Ca 0.71 1.65 -0.18 0.00 0.42 0.00 0.00 52.86 55.46 1a9t s ASN 151 Cb -0.80 -2.51 0.10 0.00 -1.45 0.00 0.00 41.25 36.59 1a9t s ASN 151 CO 0.52 0.13 0.61 -0.70 -3.72 0.00 0.00 177.10 173.94 1a9t s GLU 152 N -0.75 3.03 0.65 0.43 2.56 -1.26 -4.91 118.70 118.44 1a9t s GLU 152 Ca 0.38 -1.37 0.35 0.00 0.00 0.00 0.00 54.97 54.33 1a9t s GLU 152 Cb -0.23 -4.24 1.93 0.00 2.00 0.00 0.00 34.13 33.59 1a9t s GLU 152 CO 0.27 -1.40 2.13 0.93 -0.56 0.00 0.00 175.26 176.62 1a9t h GLU 153 N 9.05 0.00 0.00 4.30 4.39 -1.96 -1.18 114.58 129.18 1a9t h GLU 153 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1a9t h GLU 153 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1a9t h GLU 153 CO 1.05 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 179.44 1a9t n ARG 154 N -3.20 0.09 -0.10 2.33 1.74 -1.26 -3.67 116.66 112.60 1a9t n ARG 154 Ca -0.01 0.26 -0.17 0.00 -0.77 0.00 0.00 57.85 57.16 1a9t n ARG 154 Cb 0.26 -1.65 -0.08 0.00 -1.02 0.00 0.00 32.46 29.97 1a9t n ARG 154 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1a9t n PHE 155 N -1.82 0.00 -3.79 -1.55 3.72 -0.46 -5.12 117.46 108.45 1a9t n PHE 155 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1a9t n PHE 155 Cb 0.25 -0.71 0.00 0.00 -0.94 0.00 0.00 39.48 38.08 1a9t n PHE 155 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a9t n GLY 156 N 2.18 0.71 3.88 1.37 0.00 -1.13 -3.99 105.19 108.20 1a9t n GLY 156 Ca -0.36 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 1a9t n GLY 156 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a9t s VAL 157 N -2.21 3.74 0.19 1.61 -7.23 -1.26 -4.17 120.40 111.06 1a9t s VAL 157 Ca 0.06 0.56 -0.09 0.00 -1.81 0.00 0.00 61.98 60.71 1a9t s VAL 157 Cb -0.00 -3.55 0.09 0.00 0.56 0.00 0.00 36.38 33.47 1a9t s VAL 157 CO 0.00 -0.74 1.68 -0.09 -0.31 0.00 0.00 175.10 175.64 1a9t h ARG 158 N -0.59 1.10 -2.92 4.82 9.65 -1.97 -3.36 114.38 121.11 1a9t h ARG 158 Ca -0.45 -0.31 -0.62 0.00 -1.10 0.00 0.00 59.98 57.51 1a9t h ARG 158 Cb 1.24 -0.12 -0.42 0.00 -1.39 0.00 0.00 29.97 29.28 1a9t h ARG 158 CO 0.63 1.02 -0.58 1.19 2.80 0.00 0.00 179.97 185.04 1a9t n PHE 159 N -4.21 3.26 -2.47 2.20 3.72 -1.26 -5.06 117.46 113.64 1a9t n PHE 159 Ca 0.04 -4.28 -0.37 0.00 -0.05 0.00 0.00 57.45 52.79 1a9t n PHE 159 Cb 0.31 -0.60 -0.03 0.00 -0.94 0.00 0.00 39.48 38.21 1a9t n PHE 159 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1a9t s PRO 160 N -1.62 4.15 0.41 -1.08 0.04 -1.26 -5.03 135.00 130.60 1a9t s PRO 160 Ca 0.28 1.61 -0.15 0.00 0.04 0.00 0.00 61.00 62.77 1a9t s PRO 160 Cb -0.01 -2.61 -0.08 0.00 0.04 0.00 0.00 34.50 31.84 1a9t s PRO 160 CO -0.14 -0.18 0.84 0.00 0.04 0.00 0.00 177.00 177.56 1a9t s ALA 161 N -1.57 3.22 0.00 8.56 0.00 -1.26 -4.99 121.76 125.72 1a9t s ALA 161 Ca 0.57 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1a9t s ALA 161 Cb -0.25 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1a9t s ALA 161 CO 0.31 0.08 0.20 -1.33 0.00 0.00 0.00 175.76 175.02 1a9t n MET 162 N -0.92 1.94 0.27 0.00 2.81 -1.26 -4.78 117.12 115.17 1a9t n MET 162 Ca 0.05 -0.20 0.17 0.00 -1.81 0.00 0.00 57.70 55.90 1a9t n MET 162 Cb 0.54 -0.65 0.91 0.00 -0.71 0.00 0.00 33.22 33.32 1a9t n MET 162 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1a9t h SER 163 N 0.00 0.00 -0.45 7.83 4.64 -2.02 -2.26 113.55 121.29 1a9t h SER 163 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 1a9t h SER 163 Cb 0.07 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 61.94 1a9t h SER 163 CO 0.00 0.00 -0.49 -0.90 -0.87 0.00 0.00 176.83 174.57 1a9t n ASP 164 N -3.71 3.60 -0.20 4.97 5.75 -1.26 -4.83 116.55 120.87 1a9t n ASP 164 Ca -0.01 -3.81 -0.07 0.00 -0.01 0.00 0.00 54.79 50.88 1a9t n ASP 164 Cb 0.18 -0.49 0.03 0.00 -1.03 0.00 0.00 41.12 39.81 1a9t n ASP 164 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a9t h ALA 165 N 1.58 0.72 -2.22 2.12 0.00 -1.73 -3.39 119.26 116.34 1a9t h ALA 165 Ca 0.24 -0.10 -0.69 0.00 0.00 0.00 0.00 54.91 54.35 1a9t h ALA 165 Cb 1.34 -0.23 -0.19 0.00 0.00 0.00 0.00 17.79 18.72 1a9t h ALA 165 CO 0.49 0.25 -0.08 0.71 0.00 0.00 0.00 179.25 180.63 1a9t s TYR 166 N -5.84 3.11 -0.38 0.00 1.51 -1.26 -4.19 117.35 110.31 1a9t s TYR 166 Ca -0.13 -0.50 -0.43 0.00 -1.01 0.00 0.00 57.07 55.00 1a9t s TYR 166 Cb 0.12 -3.27 -0.18 0.00 -0.11 0.00 0.00 41.96 38.52 1a9t s TYR 166 CO 0.77 -0.89 1.67 -3.47 -1.11 0.00 0.00 175.55 172.52 1a9t n ASP 167 N 5.87 1.79 -0.17 2.29 2.03 -0.72 -4.88 116.55 122.76 1a9t n ASP 167 Ca -0.07 1.13 -0.10 0.00 0.52 0.00 0.00 54.79 56.27 1a9t n ASP 167 Cb 0.46 -1.01 0.00 0.00 -0.72 0.00 0.00 41.12 39.85 1a9t n ASP 167 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1a9t h ARG 168 N 6.09 0.91 -0.81 -0.67 0.11 -1.91 -2.73 114.38 115.36 1a9t h ARG 168 Ca -0.45 -0.31 -0.03 0.00 0.10 0.00 0.00 59.98 59.29 1a9t h ARG 168 Cb 1.34 -0.07 -0.04 0.00 1.11 0.00 0.00 29.97 32.32 1a9t h ARG 168 CO 0.97 0.96 0.39 -0.44 0.10 0.00 0.00 179.97 181.95 1a9t h ASP 169 N 0.77 1.06 -0.22 0.08 3.32 -2.00 -2.32 116.42 117.11 1a9t h ASP 169 Ca 0.14 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 1a9t h ASP 169 Cb 0.58 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1a9t h ASP 169 CO 0.03 0.90 -0.10 0.24 -1.72 0.00 0.00 179.24 178.59 1a9t h MET 170 N 1.15 0.60 -0.22 3.56 2.86 -1.90 -2.05 114.93 118.93 1a9t h MET 170 Ca 0.28 -0.18 -0.10 0.00 -2.06 0.00 0.00 59.70 57.64 1a9t h MET 170 Cb 0.11 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1a9t h MET 170 CO -0.04 0.69 -0.30 0.00 1.06 0.00 0.00 176.91 178.33 1a9t h ARG 171 N 0.55 0.43 -0.25 1.72 3.08 -1.14 -0.64 114.38 118.14 1a9t h ARG 171 Ca 0.10 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1a9t h ARG 171 Cb 0.50 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1a9t h ARG 171 CO 0.03 0.69 -0.08 0.37 -1.07 0.00 0.00 179.97 179.90 1a9t h GLN 172 N 0.37 0.49 -0.81 0.04 4.15 -1.05 -2.60 115.11 115.70 1a9t h GLN 172 Ca 0.05 -0.20 0.05 0.00 0.77 0.00 0.00 58.65 59.33 1a9t h GLN 172 Cb 0.71 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.32 1a9t h GLN 172 CO 0.05 0.73 0.50 0.87 -1.93 0.00 0.00 178.83 179.05 1a9t h LYS 173 N 0.22 0.91 -0.98 1.69 6.56 -1.13 -1.52 116.57 122.32 1a9t h LYS 173 Ca 0.06 -0.05 0.04 0.00 -1.06 0.00 0.00 60.65 59.63 1a9t h LYS 173 Cb 0.56 -0.20 -0.06 0.00 -0.57 0.00 0.00 32.23 31.96 1a9t h LYS 173 CO 0.03 0.60 0.64 0.00 -2.06 0.00 0.00 179.45 178.66 1a9t h ALA 174 N 1.38 1.37 -0.25 3.86 0.00 -0.94 -0.04 119.26 124.63 1a9t h ALA 174 Ca 0.35 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1a9t h ALA 174 Cb 0.13 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1a9t h ALA 174 CO -0.16 0.53 -0.29 0.45 0.00 0.00 0.00 179.25 179.78 1a9t h HIS 175 N 1.23 0.77 -0.72 0.00 3.86 -0.92 -1.57 115.15 117.80 1a9t h HIS 175 Ca 0.39 -0.24 -0.04 0.00 -1.16 0.00 0.00 60.37 59.32 1a9t h HIS 175 Cb 0.02 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 1a9t h HIS 175 CO -0.00 0.97 0.30 0.77 0.86 0.00 0.00 177.93 180.83 1a9t h SER 176 N 0.35 0.99 -0.70 2.45 0.02 -0.93 -2.26 113.55 113.47 1a9t h SER 176 Ca 0.04 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.77 1a9t h SER 176 Cb 0.86 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 1a9t h SER 176 CO 0.07 0.89 0.26 0.74 -1.14 0.00 0.00 176.83 177.64 1a9t h THR 177 N 1.03 1.25 -0.68 -2.27 2.02 -0.96 -2.59 112.91 110.71 1a9t h THR 177 Ca 0.24 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 1a9t h THR 177 Cb 0.20 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1a9t h THR 177 CO -0.02 0.32 0.35 -0.25 0.37 0.00 0.00 175.52 176.29 1a9t h TRP 178 N 1.01 0.95 -0.43 3.16 2.91 -0.96 -2.03 115.95 120.56 1a9t h TRP 178 Ca 0.23 -0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.19 1a9t h TRP 178 Cb 0.24 -0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 28.57 1a9t h TRP 178 CO 0.02 0.69 0.15 0.87 -1.03 0.00 0.00 178.44 179.14 1a9t h LYS 179 N 0.93 0.62 0.00 2.65 1.57 -1.19 -1.71 116.57 119.45 1a9t h LYS 179 Ca 0.24 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1a9t h LYS 179 Cb 0.08 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1a9t h LYS 179 CO -0.03 0.53 -0.02 1.96 -0.57 0.00 0.00 179.45 181.32 1a9t h GLN 180 N 0.62 0.00 0.00 3.15 4.20 -0.99 -2.70 115.11 119.39 1a9t h GLN 180 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1a9t h GLN 180 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1a9t h GLN 180 CO -0.01 0.02 0.00 0.52 -0.67 0.00 0.00 178.83 178.69 1a9t h MET 181 N 0.00 0.00 -1.61 1.46 2.86 -0.94 -3.47 114.93 113.23 1a9t h MET 181 Ca -0.00 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 1a9t h MET 181 Cb 0.54 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.20 1a9t h MET 181 CO 0.00 0.00 -0.23 0.41 1.06 0.00 0.00 176.91 178.15 1a9t n GLY 182 N 0.99 0.09 3.75 8.32 0.00 -1.02 -5.00 105.19 112.32 1a9t n GLY 182 Ca 0.05 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 1a9t n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a9t s GLU 183 N -4.67 4.66 0.09 1.61 0.41 -1.26 -4.97 118.70 114.57 1a9t s GLU 183 Ca 0.05 1.69 -0.11 0.00 -0.41 0.00 0.00 54.97 56.20 1a9t s GLU 183 Cb -0.02 -3.26 -0.20 0.00 -1.78 0.00 0.00 34.13 28.87 1a9t s GLU 183 CO 0.07 0.20 1.22 -0.56 -0.49 0.00 0.00 175.26 175.69 1a9t h GLN 184 N 4.61 0.59 -6.64 1.61 -0.00 -1.96 -3.44 115.11 109.88 1a9t h GLN 184 Ca -0.45 -0.66 -0.51 0.00 -0.00 0.00 0.00 58.65 57.03 1a9t h GLN 184 Cb 1.21 0.19 -0.03 0.00 -0.00 0.00 0.00 27.48 28.85 1a9t h GLN 184 CO 0.70 1.26 0.20 0.50 -0.00 0.00 0.00 178.83 181.49 1a9t s ARG 185 N -3.25 4.46 0.57 0.06 6.06 -1.26 -5.05 118.95 120.54 1a9t s ARG 185 Ca -0.08 1.10 -0.16 0.00 -2.50 0.00 0.00 55.73 54.09 1a9t s ARG 185 Cb 0.07 -3.00 -0.05 0.00 0.06 0.00 0.00 34.95 32.03 1a9t s ARG 185 CO 0.91 0.43 1.04 -1.21 -2.50 0.00 0.00 175.30 173.96 1a9t s GLU 186 N -1.69 3.51 -0.25 5.12 8.01 -1.26 -5.00 118.70 127.14 1a9t s GLU 186 Ca 0.42 1.15 -0.27 0.00 0.01 0.00 0.00 54.97 56.28 1a9t s GLU 186 Cb -0.20 -2.06 0.01 0.00 -4.31 0.00 0.00 34.13 27.57 1a9t s GLU 186 CO 0.24 -0.65 0.96 -1.17 0.01 0.00 0.00 175.26 174.64 1a9t s LEU 187 N -4.34 4.08 0.76 1.80 2.96 -1.26 -4.80 118.68 117.88 1a9t s LEU 187 Ca 0.63 1.20 -0.12 0.00 -0.22 0.00 0.00 54.13 55.62 1a9t s LEU 187 Cb -0.14 -3.40 0.05 0.00 0.50 0.00 0.00 46.19 43.20 1a9t s LEU 187 CO 0.35 -0.63 1.14 -1.10 -1.32 0.00 0.00 176.35 174.78 1a9t s GLN 188 N 3.10 2.34 -0.21 1.98 -1.52 -0.75 -4.93 119.66 119.68 1a9t s GLN 188 Ca 0.40 0.23 -0.16 0.00 -1.95 0.00 0.00 55.36 53.89 1a9t s GLN 188 Cb -0.15 -1.99 0.06 0.00 -0.22 0.00 0.00 33.01 30.71 1a9t s GLN 188 CO 0.07 -1.35 0.54 -2.00 -0.25 0.00 0.00 175.29 172.30 1a9t s GLU 189 N -5.47 0.59 0.00 2.91 2.12 -1.26 -0.62 118.70 116.97 1a9t s GLU 189 Ca 0.60 0.85 0.00 0.00 0.36 0.00 0.00 54.97 56.78 1a9t s GLU 189 Cb -0.11 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.48 1a9t s GLU 189 CO 0.50 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.52 1a9t n GLY 190 N 3.43 0.74 3.76 -1.50 0.00 -0.02 -4.89 105.19 106.71 1a9t n GLY 190 Ca -0.17 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.66 1a9t n GLY 190 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a9t s THR 191 N -2.18 5.23 -0.16 2.61 2.01 -1.26 -0.80 115.64 121.09 1a9t s THR 191 Ca 0.00 0.68 -0.07 0.00 0.31 0.00 0.00 61.69 62.61 1a9t s THR 191 Cb 0.00 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1a9t s THR 191 CO 0.00 0.43 0.08 -0.47 -0.69 0.00 0.00 174.62 173.97 1a9t s TYR 192 N 0.06 3.33 -0.13 4.92 6.14 -0.41 -0.98 117.35 130.27 1a9t s TYR 192 Ca 0.20 0.22 -0.00 0.00 0.64 0.00 0.00 57.07 58.12 1a9t s TYR 192 Cb -0.14 -2.02 -0.01 0.00 0.42 0.00 0.00 41.96 40.20 1a9t s TYR 192 CO 0.07 0.33 -0.12 0.54 0.64 0.00 0.00 175.55 177.01 1a9t s VAL 193 N -0.09 3.08 -0.11 3.14 0.11 -0.13 -1.21 120.40 125.19 1a9t s VAL 193 Ca 0.07 -0.65 -0.04 0.00 -2.93 0.00 0.00 61.98 58.44 1a9t s VAL 193 Cb -0.12 -2.30 -0.03 0.00 -1.53 0.00 0.00 36.38 32.40 1a9t s VAL 193 CO 0.01 0.52 0.03 -0.32 -3.33 0.00 0.00 175.10 172.01 1a9t s MET 194 N 0.39 3.29 0.20 1.54 1.75 -1.00 -1.40 119.30 124.07 1a9t s MET 194 Ca -0.10 -0.37 0.03 0.00 -1.25 0.00 0.00 55.69 54.00 1a9t s MET 194 Cb -0.16 -2.93 -0.05 0.00 2.84 0.00 0.00 34.83 34.53 1a9t s MET 194 CO 0.05 0.59 0.00 -0.48 -0.65 0.00 0.00 175.02 174.54 1a9t s LEU 195 N -0.56 2.13 0.14 4.11 0.05 -0.76 -3.23 118.68 120.55 1a9t s LEU 195 Ca 0.10 -1.20 -0.15 0.00 0.05 0.00 0.00 54.13 52.93 1a9t s LEU 195 Cb -0.12 -0.16 0.01 0.00 -2.05 0.00 0.00 46.19 43.87 1a9t s LEU 195 CO 0.02 -0.54 1.68 1.23 -0.55 0.00 0.00 176.35 178.18 1a9t h GLY 196 N 2.58 0.70 0.00 -3.48 0.00 -1.93 -3.38 103.07 97.57 1a9t h GLY 196 Ca -0.37 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1a9t h GLY 196 CO 0.63 0.37 0.00 0.61 0.00 0.00 0.00 176.54 178.15 1a9t n GLY 197 N -0.73 -1.65 0.04 4.60 0.00 -1.26 -4.13 105.19 102.05 1a9t n GLY 197 Ca 0.00 -1.32 0.14 0.00 0.00 0.00 0.00 46.02 44.84 1a9t n GLY 197 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a9t n PRO 198 N -0.18 0.31 -1.53 1.61 -0.04 -1.26 -4.86 135.00 129.04 1a9t n PRO 198 Ca 0.00 -0.08 -0.31 0.00 -0.04 0.00 0.00 63.50 63.06 1a9t n PRO 198 Cb 0.00 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.02 1a9t n PRO 198 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1a9t s ASN 199 N -2.75 5.05 0.49 3.54 4.22 -1.26 -5.04 114.94 119.19 1a9t s ASN 199 Ca 0.21 1.77 -0.05 0.00 -2.14 0.00 0.00 52.86 52.66 1a9t s ASN 199 Cb 0.19 -2.52 -0.03 0.00 1.28 0.00 0.00 41.25 40.18 1a9t s ASN 199 CO 0.53 -1.67 0.78 -0.36 -2.04 0.00 0.00 177.10 174.35 1a9t s PHE 200 N -2.82 3.51 0.69 1.54 0.08 -1.26 -5.06 117.98 114.65 1a9t s PHE 200 Ca 0.61 0.74 -0.13 0.00 0.12 0.00 0.00 56.93 58.27 1a9t s PHE 200 Cb -0.16 -2.33 0.01 0.00 -0.57 0.00 0.00 43.02 39.97 1a9t s PHE 200 CO 0.51 -0.33 1.09 -1.21 -0.10 0.00 0.00 175.22 175.18 1a9t s GLU 201 N -4.74 2.74 0.54 0.44 8.01 -1.26 -5.07 118.70 119.36 1a9t s GLU 201 Ca 0.48 1.22 -0.02 0.00 0.01 0.00 0.00 54.97 56.66 1a9t s GLU 201 Cb -0.10 -1.95 0.01 0.00 -4.31 0.00 0.00 34.13 27.78 1a9t s GLU 201 CO 0.44 -1.28 0.80 0.95 0.01 0.00 0.00 175.26 176.19 1a9t s THR 202 N -2.64 3.47 0.18 3.63 -4.23 -1.26 -4.94 115.64 109.86 1a9t s THR 202 Ca 0.63 -0.32 -0.13 0.00 -1.18 0.00 0.00 61.69 60.68 1a9t s THR 202 Cb -0.18 -3.34 0.08 0.00 1.34 0.00 0.00 72.50 70.41 1a9t s THR 202 CO 0.47 -0.29 1.85 0.58 -0.54 0.00 0.00 174.62 176.69 1a9t h VAL 203 N 0.04 1.14 -0.94 2.29 2.07 -1.95 -1.79 116.25 117.11 1a9t h VAL 203 Ca -0.45 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 66.82 1a9t h VAL 203 Cb 1.27 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 1a9t h VAL 203 CO 0.58 0.14 0.62 0.00 0.02 0.00 0.00 177.57 178.93 1a9t h ALA 204 N 1.21 1.21 -0.52 1.67 0.00 -1.93 -1.55 119.26 119.35 1a9t h ALA 204 Ca 0.21 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1a9t h ALA 204 Cb -0.09 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.31 1a9t h ALA 204 CO -0.05 0.57 -0.10 0.93 0.00 0.00 0.00 179.25 180.61 1a9t h GLU 205 N 1.26 0.97 -0.51 0.00 5.08 -1.84 -2.49 114.58 117.05 1a9t h GLU 205 Ca 0.35 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1a9t h GLU 205 Cb -0.12 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1a9t h GLU 205 CO -0.08 1.01 0.05 0.00 -1.00 0.00 0.00 179.01 178.99 1a9t h ARG 207 N 0.74 0.85 -0.22 0.00 3.08 -1.22 -1.37 114.38 116.23 1a9t h ARG 207 Ca 0.15 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1a9t h ARG 207 Cb 0.45 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1a9t h ARG 207 CO 0.02 0.78 -0.00 1.25 -1.07 0.00 0.00 179.97 180.94 1a9t h LEU 208 N 0.81 0.39 -0.84 3.04 6.46 -1.20 -1.12 115.31 122.84 1a9t h LEU 208 Ca 0.17 -0.31 -0.02 0.00 -0.12 0.00 0.00 57.88 57.60 1a9t h LEU 208 Cb 0.34 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.12 1a9t h LEU 208 CO 0.00 0.61 0.43 -0.07 -0.62 0.00 0.00 178.44 178.79 1a9t h LEU 209 N 0.16 1.08 -0.48 2.25 3.38 -0.87 -0.59 115.31 120.26 1a9t h LEU 209 Ca 0.06 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1a9t h LEU 209 Cb 0.41 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1a9t h LEU 209 CO 0.01 0.89 -0.02 -0.09 0.09 0.00 0.00 178.44 179.33 1a9t h ARG 210 N 1.19 0.85 0.00 1.13 9.65 -1.17 -2.46 114.38 123.57 1a9t h ARG 210 Ca 0.29 -0.28 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1a9t h ARG 210 Cb 0.08 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1a9t h ARG 210 CO -0.04 0.91 0.00 -0.91 2.80 0.00 0.00 179.97 182.73 1a9t h ASN 211 N 0.71 0.00 0.76 -3.80 -0.26 -0.68 -0.85 115.58 111.46 1a9t h ASN 211 Ca 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 1a9t h ASN 211 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 1a9t h ASN 211 CO 0.03 0.00 -0.03 0.18 -1.06 0.00 0.00 177.43 176.55 1a9t n LEU 212 N -2.73 0.05 0.00 1.61 4.77 -0.27 -4.91 117.00 115.51 1a9t n LEU 212 Ca 0.01 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1a9t n LEU 212 Cb 0.25 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1a9t n LEU 212 CO 0.23 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1a9t n GLY 213 N 1.40 0.95 3.87 -0.72 0.00 -0.32 -5.09 105.19 105.27 1a9t n GLY 213 Ca 0.10 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1a9t n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9t s ALA 214 N -2.00 3.66 -0.13 4.61 0.00 -0.98 -4.74 121.76 122.18 1a9t s ALA 214 Ca 0.00 -0.31 0.16 0.00 0.00 0.00 0.00 51.96 51.81 1a9t s ALA 214 Cb 0.00 -2.36 -0.22 0.00 0.00 0.00 0.00 23.12 20.54 1a9t s ALA 214 CO 0.00 0.54 0.14 -0.25 0.00 0.00 0.00 175.76 176.19 1a9t n ASP 215 N 0.52 0.88 -3.83 0.00 8.00 -0.15 -4.45 116.55 117.52 1a9t n ASP 215 Ca -0.05 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.34 1a9t n ASP 215 Cb 0.52 1.14 -0.10 0.00 -0.02 0.00 0.00 41.12 42.67 1a9t n ASP 215 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a9t s ALA 216 N -2.62 -0.49 0.05 2.24 0.00 -1.08 -0.22 121.76 119.65 1a9t s ALA 216 Ca -0.08 0.12 0.09 0.00 0.00 0.00 0.00 51.96 52.10 1a9t s ALA 216 Cb 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 1a9t s ALA 216 CO 0.70 -0.20 -0.26 0.54 0.00 0.00 0.00 175.76 176.54 1a9t s VAL 217 N -1.10 2.11 0.37 0.00 0.11 -0.20 -0.95 120.40 120.73 1a9t s VAL 217 Ca -0.12 -1.38 -0.14 0.00 -2.93 0.00 0.00 61.98 57.41 1a9t s VAL 217 Cb -0.06 -1.80 0.04 0.00 -1.53 0.00 0.00 36.38 33.03 1a9t s VAL 217 CO 0.02 0.35 0.74 -0.83 -3.33 0.00 0.00 175.10 172.05 1a9t s GLY 218 N -1.24 0.48 -0.25 6.54 0.00 -0.50 -0.91 107.32 111.44 1a9t s GLY 218 Ca 0.11 -0.81 0.09 0.00 0.00 0.00 0.00 44.72 44.11 1a9t s GLY 218 CO 0.02 -0.39 1.24 1.03 0.00 0.00 0.00 173.10 175.01 1a9t n MET 219 N -0.53 2.39 0.00 2.90 2.81 -1.26 -1.83 117.12 121.60 1a9t n MET 219 Ca -0.07 -3.62 0.00 0.00 -1.81 0.00 0.00 57.70 52.20 1a9t n MET 219 Cb 0.60 -1.89 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 1a9t n MET 219 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1a9t n SER 220 N -0.96 0.00 0.00 7.83 3.41 -1.26 -4.60 113.62 118.03 1a9t n SER 220 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1a9t n SER 220 Cb 0.82 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 1a9t n SER 220 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1a9t n THR 221 N 0.00 0.00 -0.21 6.66 -1.04 -1.26 -4.60 114.28 113.83 1a9t n THR 221 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 1a9t n THR 221 Cb 0.00 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 68.63 1a9t n THR 221 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1a9t h VAL 222 N 0.00 0.61 -0.06 12.58 2.07 -1.98 -1.06 116.25 128.42 1a9t h VAL 222 Ca 0.00 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1a9t h VAL 222 Cb 0.00 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1a9t h VAL 222 CO 0.00 0.05 -0.10 1.55 0.02 0.00 0.00 177.57 179.09 1a9t h PRO 223 N 0.26 0.09 -0.17 1.57 0.13 -1.99 -1.27 132.00 130.62 1a9t h PRO 223 Ca 0.34 -0.01 -0.21 0.00 -0.87 0.00 0.00 66.00 65.24 1a9t h PRO 223 Cb 0.52 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 31.64 1a9t h PRO 223 CO -0.43 0.19 -0.72 0.93 -0.23 0.00 0.00 178.00 177.75 1a9t h GLU 224 N 0.09 0.76 -0.61 0.86 5.08 -1.61 -2.55 114.58 116.60 1a9t h GLU 224 Ca 0.02 -0.58 -0.06 0.00 -1.00 0.00 0.00 59.36 57.74 1a9t h GLU 224 Cb 0.23 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1a9t h GLU 224 CO 0.01 1.20 0.16 0.28 -1.00 0.00 0.00 179.01 179.66 1a9t h VAL 225 N 0.53 1.25 0.06 3.13 2.07 -0.79 0.43 116.25 122.93 1a9t h VAL 225 Ca -0.03 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1a9t h VAL 225 Cb 1.33 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1a9t h VAL 225 CO 0.15 0.34 -0.04 0.40 0.02 0.00 0.00 177.57 178.43 1a9t h ILE 226 N 0.88 0.92 -0.67 4.57 2.04 -1.20 0.82 117.51 124.87 1a9t h ILE 226 Ca 0.19 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.98 1a9t h ILE 226 Cb 0.34 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1a9t h ILE 226 CO 0.00 0.00 0.12 0.58 0.00 0.00 0.00 178.15 178.85 1a9t h VAL 227 N -0.10 1.26 -0.59 1.67 2.07 -1.34 -1.29 116.25 117.94 1a9t h VAL 227 Ca -0.00 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1a9t h VAL 227 Cb 0.08 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1a9t h VAL 227 CO 0.00 0.38 0.33 0.00 0.02 0.00 0.00 177.57 178.31 1a9t h ALA 228 N 1.09 0.75 -0.17 1.67 0.00 -0.54 -2.28 119.26 119.79 1a9t h ALA 228 Ca 0.21 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1a9t h ALA 228 Cb 0.42 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1a9t h ALA 228 CO 0.01 0.26 -0.54 0.00 0.00 0.00 0.00 179.25 178.98 1a9t h ARG 229 N 0.79 0.50 -1.00 0.00 2.47 -0.65 0.09 114.38 116.58 1a9t h ARG 229 Ca 0.21 -0.31 0.06 0.00 -1.26 0.00 0.00 59.98 58.68 1a9t h ARG 229 Cb 0.03 0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.32 1a9t h ARG 229 CO -0.03 0.91 0.65 1.25 0.56 0.00 0.00 179.97 183.30 1a9t h HIS 230 N 0.39 1.20 -0.46 3.04 2.76 -0.87 -0.88 115.15 120.33 1a9t h HIS 230 Ca 0.01 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1a9t h HIS 230 Cb 1.06 -0.40 0.00 0.00 1.55 0.00 0.00 27.41 29.63 1a9t h HIS 230 CO 0.04 0.65 0.00 0.00 -1.30 0.00 0.00 177.93 177.32 1a9t n GLY 232 N 1.06 0.38 3.82 0.00 0.00 -0.33 -4.96 105.19 105.15 1a9t n GLY 232 Ca 0.17 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 1a9t n GLY 232 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9t s LEU 233 N -0.02 4.33 0.06 0.99 1.43 -0.00 -5.01 118.68 120.46 1a9t s LEU 233 Ca 0.00 1.37 -0.30 0.00 -1.03 0.00 0.00 54.13 54.17 1a9t s LEU 233 Cb 0.00 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.61 1a9t s LEU 233 CO 0.00 0.04 1.07 -0.60 0.23 0.00 0.00 176.35 177.08 1a9t s ARG 234 N -2.00 4.54 -0.04 1.70 3.52 -0.79 -4.37 118.95 121.51 1a9t s ARG 234 Ca 0.43 1.58 0.07 0.00 -0.13 0.00 0.00 55.73 57.67 1a9t s ARG 234 Cb -0.16 -3.39 -0.02 0.00 -1.56 0.00 0.00 34.95 29.82 1a9t s ARG 234 CO 0.21 -0.07 -0.23 0.08 -0.81 0.00 0.00 175.30 174.48 1a9t s VAL 235 N 0.73 2.29 -0.03 7.11 1.01 -1.26 -1.07 120.40 129.18 1a9t s VAL 235 Ca 0.53 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 1a9t s VAL 235 Cb -0.25 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.31 1a9t s VAL 235 CO 0.30 0.58 0.09 0.12 0.00 0.00 0.00 175.10 176.19 1a9t s PHE 236 N -0.54 -0.09 0.19 5.22 5.36 -0.63 -1.75 117.98 125.75 1a9t s PHE 236 Ca 0.07 0.21 -0.22 0.00 -0.96 0.00 0.00 56.93 56.04 1a9t s PHE 236 Cb -0.11 0.03 0.05 0.00 -0.34 0.00 0.00 43.02 42.65 1a9t s PHE 236 CO 0.00 -0.06 0.61 0.20 -1.46 0.00 0.00 175.22 174.52 1a9t s GLY 237 N -0.04 -0.41 0.04 13.12 0.00 -1.26 -0.84 107.32 117.95 1a9t s GLY 237 Ca -0.01 0.18 -0.15 0.00 0.00 0.00 0.00 44.72 44.74 1a9t s GLY 237 CO 0.00 0.03 0.33 -0.11 0.00 0.00 0.00 173.10 173.35 1a9t s PHE 238 N -3.81 -0.14 -0.04 1.90 -0.12 -0.60 -1.61 117.98 113.56 1a9t s PHE 238 Ca 0.05 0.02 0.02 0.00 -0.05 0.00 0.00 56.93 56.98 1a9t s PHE 238 Cb -0.02 0.12 -0.03 0.00 -0.63 0.00 0.00 43.02 42.46 1a9t s PHE 238 CO -0.07 -0.52 -0.09 -1.12 -0.05 0.00 0.00 175.22 173.37 1a9t s SER 239 N -2.06 4.46 -0.28 1.98 0.01 -0.04 -2.32 113.70 115.46 1a9t s SER 239 Ca -0.05 -0.12 -0.11 0.00 1.31 0.00 0.00 55.95 56.98 1a9t s SER 239 Cb -0.01 -1.04 -0.05 0.00 0.21 0.00 0.00 66.02 65.13 1a9t s SER 239 CO -0.03 0.33 0.19 -0.22 0.41 0.00 0.00 173.24 173.92 1a9t s LEU 240 N -1.01 4.03 -0.67 2.44 2.96 0.05 -0.80 118.68 125.68 1a9t s LEU 240 Ca 0.14 0.00 -0.27 0.00 -0.22 0.00 0.00 54.13 53.78 1a9t s LEU 240 Cb -0.11 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 44.47 1a9t s LEU 240 CO 0.03 -0.05 1.40 -0.63 -1.32 0.00 0.00 176.35 175.78 1a9t s ILE 241 N 1.72 3.70 -0.39 6.68 -1.09 0.26 -1.04 121.20 131.04 1a9t s ILE 241 Ca 0.07 0.48 0.23 0.00 -2.23 0.00 0.00 60.65 59.20 1a9t s ILE 241 Cb -0.16 -4.64 0.15 0.00 -1.58 0.00 0.00 42.46 36.24 1a9t s ILE 241 CO 0.11 -1.51 1.34 0.71 -1.23 0.00 0.00 174.94 174.36 1a9t h THR 242 N 6.26 0.00 -2.42 2.92 1.35 -1.72 0.66 112.91 119.96 1a9t h THR 242 Ca -0.27 -0.90 0.05 0.00 -0.55 0.00 0.00 66.41 64.74 1a9t h THR 242 Cb 1.08 1.63 -0.15 0.00 -1.73 0.00 0.00 68.15 68.97 1a9t h THR 242 CO 1.24 0.00 0.38 0.54 -0.25 0.00 0.00 175.52 177.42 1a9t s ASN 243 N -5.47 -0.46 -0.19 5.36 4.22 -1.26 -4.71 114.94 112.42 1a9t s ASN 243 Ca 0.04 0.11 -0.14 0.00 -2.14 0.00 0.00 52.86 50.72 1a9t s ASN 243 Cb 0.09 0.46 -0.04 0.00 1.28 0.00 0.00 41.25 43.03 1a9t s ASN 243 CO 0.72 -0.71 0.32 -0.54 -2.04 0.00 0.00 177.10 174.86 1a9t s LYS 244 N -2.95 4.20 0.35 3.55 -0.14 -1.26 -0.40 119.74 123.09 1a9t s LYS 244 Ca 0.01 0.09 -0.29 0.00 -1.36 0.00 0.00 55.97 54.43 1a9t s LYS 244 Cb -0.01 -3.49 -0.11 0.00 -1.68 0.00 0.00 37.83 32.55 1a9t s LYS 244 CO -0.07 0.09 1.39 0.08 -0.76 0.00 0.00 175.35 176.08 1a9t s VAL 245 N 0.91 2.42 -0.21 3.17 1.01 -0.77 -4.87 120.40 122.06 1a9t s VAL 245 Ca 0.16 0.42 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 1a9t s VAL 245 Cb -0.14 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1a9t s VAL 245 CO 0.06 0.10 1.33 -0.63 0.00 0.00 0.00 175.10 175.95 1a9t s ILE 246 N -1.05 4.14 -1.30 2.22 -1.09 -1.26 -4.89 121.20 117.97 1a9t s ILE 246 Ca 0.51 1.35 0.11 0.00 -2.23 0.00 0.00 60.65 60.39 1a9t s ILE 246 Cb -0.43 -4.00 0.06 0.00 -1.58 0.00 0.00 42.46 36.51 1a9t s ILE 246 CO 0.57 -0.27 0.80 0.23 -1.23 0.00 0.00 174.94 175.04 1a9t n MET 247 N 6.98 1.06 -4.49 2.79 2.81 -1.26 -4.42 117.12 120.59 1a9t n MET 247 Ca 0.15 -1.01 -0.22 0.00 -1.81 0.00 0.00 57.70 54.81 1a9t n MET 247 Cb 0.45 -1.18 -0.14 0.00 -0.71 0.00 0.00 33.22 31.64 1a9t n MET 247 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1a9t s ASP 248 N -1.11 1.99 0.17 7.83 2.15 -1.26 -4.95 116.67 121.49 1a9t s ASP 248 Ca 0.12 -0.47 0.15 0.00 0.43 0.00 0.00 52.55 52.78 1a9t s ASP 248 Cb 0.09 -0.15 0.73 0.00 -0.30 0.00 0.00 42.92 43.30 1a9t s ASP 248 CO 0.19 0.09 1.46 0.41 -0.17 0.00 0.00 175.17 177.15 1a9t n THR 249 N 1.93 1.25 -2.16 1.71 -1.04 -1.26 -3.26 114.28 111.46 1a9t n THR 249 Ca -0.17 0.49 -0.42 0.00 -2.04 0.00 0.00 64.05 61.91 1a9t n THR 249 Cb 0.54 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 1a9t n THR 249 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1a9t n GLU 250 N -1.94 3.83 -1.55 -2.82 4.71 -1.26 -4.93 120.64 116.68 1a9t n GLU 250 Ca 0.00 -3.39 -0.33 0.00 -0.01 0.00 0.00 57.16 53.44 1a9t n GLU 250 Cb 0.09 -2.87 -0.04 0.00 -1.01 0.00 0.00 31.44 27.61 1a9t n GLU 250 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1a9t n SER 251 N 3.43 2.19 -0.80 1.62 7.64 -1.20 -4.79 113.62 121.71 1a9t n SER 251 Ca 0.48 -0.65 -0.00 0.00 1.01 0.00 0.00 58.87 59.71 1a9t n SER 251 Cb 0.33 -1.58 0.04 0.00 -1.01 0.00 0.00 64.21 61.98 1a9t n SER 251 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a9t n GLN 252 N 8.96 1.34 -2.83 1.43 10.64 -1.26 -4.89 117.38 130.77 1a9t n GLN 252 Ca 0.39 -0.34 0.00 0.00 -1.83 0.00 0.00 57.00 55.22 1a9t n GLN 252 Cb 0.52 -1.45 0.00 0.00 -0.86 0.00 0.00 30.24 28.45 1a9t n GLN 252 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1a9t n GLY 253 N 0.14 -0.63 3.57 2.61 0.00 -1.26 -5.16 105.19 104.46 1a9t n GLY 253 Ca 0.04 -1.42 -0.14 0.00 0.00 0.00 0.00 46.02 44.50 1a9t n GLY 253 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a9t s LYS 254 N -2.00 0.80 0.43 1.61 -2.85 -1.26 -5.03 119.74 111.44 1a9t s LYS 254 Ca 0.00 0.34 -0.25 0.00 -1.00 0.00 0.00 55.97 55.06 1a9t s LYS 254 Cb 0.00 0.38 -0.09 0.00 -2.06 0.00 0.00 37.83 36.06 1a9t s LYS 254 CO 0.00 -0.22 1.29 0.00 0.10 0.00 0.00 175.35 176.52 1a9t n ALA 255 N 1.19 1.39 -3.25 0.59 0.00 -1.26 -5.03 120.51 114.13 1a9t n ALA 255 Ca -0.14 0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 1a9t n ALA 255 Cb 0.57 -2.28 -0.09 0.00 0.00 0.00 0.00 19.45 17.65 1a9t n ALA 255 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1a9t s ASN 256 N -0.54 -0.25 0.29 0.00 2.20 -1.26 -5.00 114.94 110.38 1a9t s ASN 256 Ca 0.61 0.26 -0.03 0.00 -0.94 0.00 0.00 52.86 52.76 1a9t s ASN 256 Cb -0.50 0.42 0.41 0.00 -2.00 0.00 0.00 41.25 39.57 1a9t s ASN 256 CO 0.58 -0.38 1.94 -0.74 -2.94 0.00 0.00 177.10 175.56 1a9t h HIS 257 N 4.21 1.06 -0.23 1.54 -0.00 -2.01 -2.91 115.15 116.80 1a9t h HIS 257 Ca -0.29 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.01 1a9t h HIS 257 Cb 1.18 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 28.22 1a9t h HIS 257 CO 0.49 0.69 -0.19 1.49 -0.00 0.00 0.00 177.93 180.41 1a9t h GLU 258 N 1.12 0.41 -0.57 5.26 4.57 -1.99 -2.17 114.58 121.20 1a9t h GLU 258 Ca 0.30 -0.13 -0.05 0.00 -1.18 0.00 0.00 59.36 58.29 1a9t h GLU 258 Cb -0.08 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.45 1a9t h GLU 258 CO -0.06 0.59 0.14 1.05 -1.18 0.00 0.00 179.01 179.55 1a9t h GLU 259 N 0.37 0.89 -0.36 1.92 4.11 -1.93 0.34 114.58 119.92 1a9t h GLU 259 Ca 0.06 -0.19 -0.17 0.00 0.07 0.00 0.00 59.36 59.14 1a9t h GLU 259 Cb 0.55 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1a9t h GLU 259 CO 0.04 0.80 -0.42 -0.39 0.07 0.00 0.00 179.01 179.10 1a9t h VAL 260 N 0.85 1.27 -0.58 -1.06 -1.51 -1.45 -0.70 116.25 113.08 1a9t h VAL 260 Ca 0.19 -1.59 -0.10 0.00 -1.23 0.00 0.00 66.70 63.96 1a9t h VAL 260 Cb 0.31 1.44 -0.02 0.00 -2.13 0.00 0.00 31.29 30.89 1a9t h VAL 260 CO -0.00 0.53 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.78 1a9t h LEU 261 N 0.74 1.01 -0.76 4.19 3.38 -0.99 -1.30 115.31 121.59 1a9t h LEU 261 Ca 0.05 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1a9t h LEU 261 Cb 1.02 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 1a9t h LEU 261 CO 0.10 1.08 0.45 -0.08 0.09 0.00 0.00 178.44 180.08 1a9t h GLU 262 N 0.92 1.04 -0.48 1.13 4.57 -0.20 -1.90 114.58 119.66 1a9t h GLU 262 Ca 0.16 -0.10 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 1a9t h GLU 262 Cb 0.57 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 1a9t h GLU 262 CO 0.03 0.75 0.03 0.00 -1.18 0.00 0.00 179.01 178.64 1a9t h ALA 263 N 1.24 1.15 -0.35 2.92 0.00 -0.71 -1.62 119.26 121.88 1a9t h ALA 263 Ca 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1a9t h ALA 263 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1a9t h ALA 263 CO -0.05 0.56 0.23 0.78 0.00 0.00 0.00 179.25 180.76 1a9t h GLY 264 N 0.96 0.49 1.04 0.00 0.00 -0.47 -0.89 103.07 104.20 1a9t h GLY 264 Ca 0.15 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1a9t h GLY 264 CO 0.01 0.18 0.27 0.50 0.00 0.00 0.00 176.54 177.50 1a9t h LYS 265 N 0.47 1.13 -0.73 4.80 1.57 -1.22 -1.82 116.57 120.78 1a9t h LYS 265 Ca 0.13 -0.22 0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1a9t h LYS 265 Cb -0.05 -0.17 -0.07 0.00 0.08 0.00 0.00 32.23 32.02 1a9t h LYS 265 CO -0.03 0.94 0.39 0.37 -0.57 0.00 0.00 179.45 180.56 1a9t h GLN 266 N 1.09 0.67 -0.63 3.15 4.15 -0.71 -2.26 115.11 120.57 1a9t h GLN 266 Ca 0.24 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.62 1a9t h GLN 266 Cb 0.26 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1a9t h GLN 266 CO -0.01 0.44 0.00 0.00 -1.93 0.00 0.00 178.83 177.33 1a9t n ALA 267 N -2.38 3.46 0.30 3.38 0.00 -0.39 -4.67 120.51 120.21 1a9t n ALA 267 Ca 0.11 -1.64 -0.18 0.00 0.00 0.00 0.00 53.44 51.73 1a9t n ALA 267 Cb 0.23 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 1a9t n ALA 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a9t h ALA 268 N 3.96 -1.16 -0.29 0.00 0.00 -0.70 -2.25 119.26 118.82 1a9t h ALA 268 Ca 0.00 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1a9t h ALA 268 Cb 1.65 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 20.14 1a9t h ALA 268 CO 0.35 -1.18 0.21 -0.56 0.00 0.00 0.00 179.25 178.07 1a9t h GLN 269 N -1.00 0.02 0.09 0.00 -0.00 -1.83 -2.26 115.11 110.14 1a9t h GLN 269 Ca -0.07 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.58 1a9t h GLN 269 Cb 0.86 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 28.34 1a9t h GLN 269 CO -0.05 0.02 -0.05 -0.22 -0.00 0.00 0.00 178.83 178.53 1a9t h LYS 270 N 0.03 -0.12 -0.38 0.06 3.64 -1.84 -2.96 116.57 114.99 1a9t h LYS 270 Ca 0.14 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1a9t h LYS 270 Cb 0.51 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1a9t h LYS 270 CO -0.01 0.39 0.21 -0.07 -2.27 0.00 0.00 179.45 177.70 1a9t h LEU 271 N -0.88 0.47 -0.55 5.20 4.07 -1.31 -1.16 115.31 121.15 1a9t h LEU 271 Ca -0.01 -0.09 0.04 0.00 0.08 0.00 0.00 57.88 57.90 1a9t h LEU 271 Cb 0.57 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.14 1a9t h LEU 271 CO 0.02 0.43 0.30 -0.33 -1.08 0.00 0.00 178.44 177.78 1a9t h GLU 272 N 0.48 0.57 -0.42 1.13 5.08 -1.55 0.13 114.58 120.00 1a9t h GLU 272 Ca 0.13 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1a9t h GLU 272 Cb 0.06 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1a9t h GLU 272 CO -0.02 0.38 0.25 0.37 -1.00 0.00 0.00 179.01 178.98 1a9t h GLN 273 N 0.59 0.57 -0.40 2.33 4.15 -1.33 -0.26 115.11 120.76 1a9t h GLN 273 Ca 0.24 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 1a9t h GLN 273 Cb 0.11 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1a9t h GLN 273 CO -0.14 0.43 0.17 0.35 -1.93 0.00 0.00 178.83 177.71 1a9t h PHE 274 N 0.55 0.60 -0.47 3.99 3.57 -0.57 -1.58 116.94 123.03 1a9t h PHE 274 Ca 0.15 -0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.49 1a9t h PHE 274 Cb 0.01 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1a9t h PHE 274 CO -0.03 0.52 -0.17 0.28 -2.23 0.00 0.00 178.31 176.68 1a9t h VAL 275 N 0.51 1.27 -0.31 1.41 2.07 -0.57 -1.56 116.25 119.07 1a9t h VAL 275 Ca 0.14 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1a9t h VAL 275 Cb 0.17 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1a9t h VAL 275 CO -0.01 0.45 0.18 -1.28 0.02 0.00 0.00 177.57 176.93 1a9t h SER 276 N 0.80 0.37 -0.62 0.57 0.87 -0.89 -2.69 113.55 111.95 1a9t h SER 276 Ca 0.12 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 1a9t h SER 276 Cb 0.71 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 1a9t h SER 276 CO 0.05 0.31 0.08 -0.07 -0.53 0.00 0.00 176.83 176.68 1a9t h LEU 277 N 0.39 1.01 -2.05 2.23 3.38 -1.18 -2.92 115.31 116.17 1a9t h LEU 277 Ca 0.11 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.87 1a9t h LEU 277 Cb 0.01 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1a9t h LEU 277 CO -0.02 1.01 0.09 -0.07 0.09 0.00 0.00 178.44 179.55 1a9t h LEU 278 N 0.98 0.00 -1.66 1.67 3.38 -0.98 -2.43 115.31 116.27 1a9t h LEU 278 Ca 0.19 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.37 1a9t h LEU 278 Cb 0.45 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 1a9t h LEU 278 CO 0.01 0.00 0.59 0.24 0.09 0.00 0.00 178.44 179.37 1a9t h MET 279 N 0.00 0.27 -6.28 1.13 2.86 -1.28 -3.39 114.93 108.25 1a9t h MET 279 Ca 0.06 -0.02 -0.57 0.00 -2.06 0.00 0.00 59.70 57.11 1a9t h MET 279 Cb 0.24 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1a9t h MET 279 CO -0.00 0.18 1.20 0.00 1.06 0.00 0.00 176.91 179.35 1a9t s ALA 280 N -5.29 3.11 -0.13 6.32 0.00 -0.92 -3.84 121.76 121.01 1a9t s ALA 280 Ca -0.07 0.43 -0.02 0.00 0.00 0.00 0.00 51.96 52.30 1a9t s ALA 280 Cb 0.22 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1a9t s ALA 280 CO 0.78 -2.23 0.06 0.45 0.00 0.00 0.00 175.76 174.82 1a9t n SER 281 N 9.23 -4.25 -0.04 0.00 2.88 -1.26 -5.03 113.62 115.15 1a9t n SER 281 Ca 0.21 0.44 -0.10 0.00 -1.33 0.00 0.00 58.87 58.09 1a9t n SER 281 Cb 0.46 -2.63 -0.14 0.00 -0.75 0.00 0.00 64.21 61.14 1a9t n SER 281 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1a9t n ILE 282 N 0.07 1.58 0.00 2.46 2.08 -1.25 -5.01 119.36 119.29 1a9t n ILE 282 Ca 0.01 -0.79 0.00 0.00 0.56 0.00 0.00 62.75 62.53 1a9t n ILE 282 Cb 0.05 -1.00 0.00 0.00 -0.75 0.00 0.00 39.64 37.94 1a9t n ILE 282 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1a9t n PRO 283 N -3.03 0.00 0.00 0.38 -0.04 -1.26 -4.96 135.00 126.09 1a9t n PRO 283 Ca -0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1a9t n PRO 283 Cb 1.07 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.53 1a9t n PRO 283 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01