#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aja n PRO 2 N 0.00 0.08 -2.95 -2.82 -0.04 -1.26 -4.86 135.00 123.15 1aja n PRO 2 Ca 0.00 -0.85 -0.44 0.00 -0.04 0.00 0.00 63.50 62.17 1aja n PRO 2 Cb 0.00 -2.55 -0.04 0.00 -0.04 0.00 0.00 33.50 30.87 1aja n PRO 2 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1aja s GLU 3 N 7.04 3.09 0.00 0.54 2.12 -1.26 -4.81 118.70 125.42 1aja s GLU 3 Ca 0.52 -0.98 0.00 0.00 0.36 0.00 0.00 54.97 54.87 1aja s GLU 3 Cb -0.08 -4.23 0.00 0.00 0.26 0.00 0.00 34.13 30.08 1aja s GLU 3 CO 0.13 -1.70 0.00 -1.33 -0.54 0.00 0.00 175.26 171.82 1aja n MET 4 N 7.21 -0.02 -2.31 4.30 2.81 -1.25 -5.01 117.12 122.84 1aja n MET 4 Ca -0.06 0.02 -0.33 0.00 -1.81 0.00 0.00 57.70 55.52 1aja n MET 4 Cb 0.44 -0.03 -0.01 0.00 -0.71 0.00 0.00 33.22 32.91 1aja n MET 4 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1aja s PRO 5 N 0.00 3.59 0.20 0.03 0.04 -1.26 -4.97 135.00 132.62 1aja s PRO 5 Ca 0.00 1.28 0.06 0.00 0.04 0.00 0.00 61.00 62.38 1aja s PRO 5 Cb 0.00 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1aja s PRO 5 CO 0.00 -0.60 0.16 0.08 0.04 0.00 0.00 177.00 176.69 1aja s VAL 6 N -2.21 4.49 -0.55 -0.36 1.01 -1.26 -4.81 120.40 116.70 1aja s VAL 6 Ca 0.65 -1.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.16 1aja s VAL 6 Cb -0.16 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1aja s VAL 6 CO 0.28 -0.20 1.67 -0.76 0.00 0.00 0.00 175.10 176.08 1aja s LEU 7 N -3.39 3.36 0.15 3.92 1.43 0.27 -4.83 118.68 119.58 1aja s LEU 7 Ca 0.32 0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 53.57 1aja s LEU 7 Cb -0.09 -2.89 -0.07 0.00 0.03 0.00 0.00 46.19 43.17 1aja s LEU 7 CO 0.24 -2.00 1.51 1.05 0.23 0.00 0.00 176.35 177.38 1aja h GLU 8 N 13.00 -0.07 -1.79 1.70 4.11 -1.95 -3.42 114.58 126.16 1aja h GLU 8 Ca -0.28 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.24 1aja h GLU 8 Cb 1.13 0.02 -0.22 0.00 0.50 0.00 0.00 28.75 30.18 1aja h GLU 8 CO 1.17 -0.04 0.01 1.21 0.07 0.00 0.00 179.01 181.43 1aja s ASN 9 N -5.27 -0.95 -0.12 3.06 2.47 -1.26 -5.01 114.94 107.85 1aja s ASN 9 Ca -0.12 1.37 0.17 0.00 0.42 0.00 0.00 52.86 54.69 1aja s ASN 9 Cb 0.10 1.89 0.40 0.00 -1.45 0.00 0.00 41.25 42.20 1aja s ASN 9 CO 0.58 -0.20 1.19 0.54 -3.72 0.00 0.00 177.10 175.49 1aja n ARG 10 N 4.96 0.94 -1.99 0.43 5.12 -1.26 -4.87 116.66 119.99 1aja n ARG 10 Ca -0.14 -2.71 -0.31 0.00 -1.93 0.00 0.00 57.85 52.75 1aja n ARG 10 Cb 0.53 -0.98 0.00 0.00 -1.16 0.00 0.00 32.46 30.84 1aja n ARG 10 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1aja s ALA 11 N -1.92 3.07 -0.04 7.54 0.00 -1.26 -4.70 121.76 124.44 1aja s ALA 11 Ca 0.35 -0.01 -0.36 0.00 0.00 0.00 0.00 51.96 51.94 1aja s ALA 11 Cb 0.36 -3.10 -0.14 0.00 0.00 0.00 0.00 23.12 20.24 1aja s ALA 11 CO -0.10 -0.61 1.67 0.00 0.00 0.00 0.00 175.76 176.72 1aja n ALA 12 N -2.48 0.36 0.25 0.00 0.00 0.59 -4.26 120.51 114.98 1aja n ALA 12 Ca 0.06 0.40 0.14 0.00 0.00 0.00 0.00 53.44 54.03 1aja n ALA 12 Cb 0.54 -2.31 0.57 0.00 0.00 0.00 0.00 19.45 18.25 1aja n ALA 12 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1aja h GLN 13 N 6.99 0.00 0.00 0.00 7.50 -0.26 -3.48 115.11 125.86 1aja h GLN 13 Ca -0.47 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.68 1aja h GLN 13 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.82 1aja h GLN 13 CO 0.90 0.11 0.00 0.41 -1.50 0.00 0.00 178.83 178.75 1aja n GLY 14 N 0.08 3.74 3.54 3.46 0.00 0.57 -5.04 105.19 111.55 1aja n GLY 14 Ca 0.00 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1aja n GLY 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1aja s ASP 15 N 1.68 6.43 0.61 1.61 2.15 -1.25 -4.76 116.67 123.14 1aja s ASP 15 Ca 0.00 -0.08 0.29 0.00 0.43 0.00 0.00 52.55 53.19 1aja s ASP 15 Cb 0.00 -2.41 1.55 0.00 -0.30 0.00 0.00 42.92 41.76 1aja s ASP 15 CO 0.00 -0.98 1.95 0.16 -0.17 0.00 0.00 175.17 176.12 1aja h ILE 16 N 6.01 0.31 0.00 4.11 3.07 -1.97 0.61 117.51 129.66 1aja h ILE 16 Ca -0.25 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.16 1aja h ILE 16 Cb 1.08 0.68 0.00 0.00 -0.27 0.00 0.00 36.82 38.31 1aja h ILE 16 CO 0.99 0.00 0.00 0.35 -1.05 0.00 0.00 178.15 178.44 1aja n THR 17 N -3.56 0.27 -4.03 0.16 -2.24 -1.26 -4.42 114.28 99.20 1aja n THR 17 Ca 0.05 -0.13 -0.27 0.00 -2.27 0.00 0.00 64.05 61.43 1aja n THR 17 Cb 0.53 -0.54 -0.05 0.00 -2.10 0.00 0.00 70.33 68.17 1aja n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aja s ALA 18 N -3.05 3.71 0.03 6.98 0.00 0.21 -5.01 121.76 124.62 1aja s ALA 18 Ca 0.12 -1.13 -0.35 0.00 0.00 0.00 0.00 51.96 50.60 1aja s ALA 18 Cb 0.16 -1.51 -0.14 0.00 0.00 0.00 0.00 23.12 21.62 1aja s ALA 18 CO 0.56 0.54 1.60 -2.30 0.00 0.00 0.00 175.76 176.16 1aja n PRO 19 N -0.33 1.77 -0.88 0.00 -0.02 -1.26 -0.79 135.00 133.49 1aja n PRO 19 Ca -0.08 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1aja n PRO 19 Cb 0.54 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1aja n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aja n GLY 20 N 3.49 1.03 0.24 -1.23 0.00 -1.26 -4.91 105.19 102.55 1aja n GLY 20 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 1aja n GLY 20 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1aja h GLY 21 N 0.00 0.78 -2.20 -0.02 0.00 -1.09 -3.15 103.07 97.39 1aja h GLY 21 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1aja h GLY 21 CO 0.00 0.72 0.00 0.00 0.00 0.00 0.00 176.54 177.26 1aja n ALA 22 N -2.52 2.44 -1.76 3.60 0.00 -1.26 -0.32 120.51 120.69 1aja n ALA 22 Ca -0.02 -1.05 -0.40 0.00 0.00 0.00 0.00 53.44 51.97 1aja n ALA 22 Cb 0.54 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 19.05 1aja n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1aja s ARG 23 N -1.25 3.56 -0.01 0.00 0.52 -1.19 -4.54 118.95 116.05 1aja s ARG 23 Ca 0.40 2.41 0.13 0.00 -0.52 0.00 0.00 55.73 58.14 1aja s ARG 23 Cb 0.21 -2.57 -0.17 0.00 0.52 0.00 0.00 34.95 32.93 1aja s ARG 23 CO 0.26 -0.91 0.45 0.54 0.02 0.00 0.00 175.30 175.66 1aja n ARG 24 N -0.37 1.73 -3.93 3.54 1.74 -1.26 0.04 116.66 118.16 1aja n ARG 24 Ca 0.06 -0.05 -0.37 0.00 -0.77 0.00 0.00 57.85 56.72 1aja n ARG 24 Cb 0.42 -1.20 -0.06 0.00 -1.02 0.00 0.00 32.46 30.60 1aja n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1aja s LEU 25 N -3.16 4.31 -0.03 0.55 1.43 -1.26 -4.40 118.68 116.12 1aja s LEU 25 Ca 0.01 0.44 0.16 0.00 -1.03 0.00 0.00 54.13 53.71 1aja s LEU 25 Cb 0.09 -2.06 0.50 0.00 0.03 0.00 0.00 46.19 44.76 1aja s LEU 25 CO 0.55 0.40 1.42 0.35 0.23 0.00 0.00 176.35 179.31 1aja n THR 26 N 1.97 1.25 -2.97 5.49 -2.24 -1.26 -5.02 114.28 111.51 1aja n THR 26 Ca -0.20 -1.11 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 1aja n THR 26 Cb 0.55 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 1aja n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aja n GLY 27 N 0.89 -0.56 3.69 3.38 0.00 -1.26 -5.12 105.19 106.21 1aja n GLY 27 Ca 0.19 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 1aja n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1aja s ASP 28 N -4.00 6.40 0.23 1.61 2.15 -1.26 -4.98 116.67 116.81 1aja s ASP 28 Ca 0.00 0.46 0.25 0.00 0.43 0.00 0.00 52.55 53.69 1aja s ASP 28 Cb 0.00 -2.20 0.89 0.00 -0.30 0.00 0.00 42.92 41.31 1aja s ASP 28 CO 0.00 0.00 1.75 0.00 -0.17 0.00 0.00 175.17 176.75 1aja n GLN 29 N 4.13 0.23 -0.26 4.34 3.00 -1.26 -4.46 117.38 123.10 1aja n GLN 29 Ca -0.10 0.30 0.07 0.00 -0.01 0.00 0.00 57.00 57.25 1aja n GLN 29 Cb 0.51 -1.83 0.20 0.00 0.00 0.00 0.00 30.24 29.13 1aja n GLN 29 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 1aja h THR 30 N 0.00 0.51 0.00 5.09 2.02 -1.99 0.05 112.91 118.60 1aja h THR 30 Ca 0.00 -0.10 -0.12 0.00 0.77 0.00 0.00 66.41 66.96 1aja h THR 30 Cb 0.57 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1aja h THR 30 CO 0.00 0.05 -0.87 0.00 0.37 0.00 0.00 175.52 175.07 1aja h ALA 31 N 1.62 0.66 0.00 6.16 0.00 -1.99 -0.68 119.26 125.04 1aja h ALA 31 Ca 0.44 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1aja h ALA 31 Cb 0.75 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1aja h ALA 31 CO -0.51 0.70 -0.00 0.00 0.00 0.00 0.00 179.25 179.43 1aja h ALA 32 N 1.50 -0.01 -0.46 0.00 0.00 -1.48 -2.03 119.26 116.78 1aja h ALA 32 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1aja h ALA 32 Cb 1.44 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1aja h ALA 32 CO 0.05 -0.39 0.30 1.25 0.00 0.00 0.00 179.25 180.46 1aja h LEU 33 N -0.24 0.54 -1.14 0.00 5.85 -1.04 -0.62 115.31 118.67 1aja h LEU 33 Ca -0.00 -0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.82 1aja h LEU 33 Cb 0.24 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.05 1aja h LEU 33 CO 0.00 0.42 0.60 0.03 -0.34 0.00 0.00 178.44 179.15 1aja h ARG 34 N 0.62 0.82 0.00 1.25 3.08 -1.05 -0.41 114.38 118.70 1aja h ARG 34 Ca 0.17 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1aja h ARG 34 Cb -0.04 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.82 1aja h ARG 34 CO -0.03 0.55 -0.05 -0.25 -1.07 0.00 0.00 179.97 179.11 1aja n ASP 35 N -4.60 0.47 0.25 7.04 8.00 -0.43 -2.82 116.55 124.46 1aja n ASP 35 Ca 0.18 0.50 0.15 0.00 0.71 0.00 0.00 54.79 56.33 1aja n ASP 35 Cb 0.41 -0.59 0.50 0.00 -0.02 0.00 0.00 41.12 41.42 1aja n ASP 35 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1aja h SER 36 N 0.00 0.00 -3.29 -2.24 0.02 0.36 -3.32 113.55 105.08 1aja h SER 36 Ca 0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 1aja h SER 36 Cb 0.63 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.05 1aja h SER 36 CO 0.00 0.00 0.51 -0.76 -1.14 0.00 0.00 176.83 175.44 1aja s LEU 37 N -6.11 4.18 -0.02 5.07 1.02 -1.13 -4.67 118.68 117.02 1aja s LEU 37 Ca 0.03 -0.33 0.02 0.00 0.02 0.00 0.00 54.13 53.88 1aja s LEU 37 Cb 0.08 -2.85 0.00 0.00 0.02 0.00 0.00 46.19 43.44 1aja s LEU 37 CO 0.58 -1.15 -0.07 -0.55 0.02 0.00 0.00 176.35 175.18 1aja s SER 38 N 2.70 0.99 0.00 2.29 0.15 -1.26 -5.02 113.70 113.55 1aja s SER 38 Ca 0.30 -0.15 0.21 0.00 0.70 0.00 0.00 55.95 57.01 1aja s SER 38 Cb -0.13 -0.25 -0.00 0.00 -1.71 0.00 0.00 66.02 63.93 1aja s SER 38 CO 0.20 0.05 1.02 -0.90 1.20 0.00 0.00 173.24 174.81 1aja n ASP 39 N 3.29 1.95 -4.40 5.45 5.68 -1.26 -0.78 116.55 126.47 1aja n ASP 39 Ca -0.18 -1.47 -0.33 0.00 -0.50 0.00 0.00 54.79 52.31 1aja n ASP 39 Cb 0.55 0.46 0.13 0.00 -1.14 0.00 0.00 41.12 41.12 1aja n ASP 39 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1aja n LYS 40 N -0.01 -0.55 -2.20 0.11 4.76 -1.26 -4.72 118.16 114.29 1aja n LYS 40 Ca 0.09 -0.12 -0.41 0.00 -2.87 0.00 0.00 58.31 54.99 1aja n LYS 40 Cb 0.43 -1.85 -0.03 0.00 -1.84 0.00 0.00 35.03 31.74 1aja n LYS 40 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1aja s PRO 41 N -3.65 4.40 -0.13 1.97 0.02 -1.26 -4.46 135.00 131.89 1aja s PRO 41 Ca 0.57 2.09 -0.29 0.00 0.02 0.00 0.00 61.00 63.39 1aja s PRO 41 Cb -0.20 -3.15 -0.01 0.00 0.02 0.00 0.00 34.50 31.17 1aja s PRO 41 CO 0.67 -0.18 1.00 0.00 -0.33 0.00 0.00 177.00 178.16 1aja s ALA 42 N -0.48 3.47 0.14 -1.55 0.00 -0.25 -4.91 121.76 118.17 1aja s ALA 42 Ca 0.53 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.80 1aja s ALA 42 Cb -0.37 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.21 1aja s ALA 42 CO 0.44 -0.70 1.31 -0.22 0.00 0.00 0.00 175.76 176.60 1aja h LYS 43 N 7.18 0.22 -4.57 0.00 3.64 -0.75 -3.38 116.57 118.91 1aja h LYS 43 Ca -0.28 -0.27 -0.21 0.00 -1.27 0.00 0.00 60.65 58.62 1aja h LYS 43 Cb 1.13 0.09 -0.15 0.00 -0.41 0.00 0.00 32.23 32.89 1aja h LYS 43 CO 0.88 1.03 -0.69 -0.80 -2.27 0.00 0.00 179.45 177.60 1aja s ASN 44 N -6.97 0.99 -0.01 4.20 0.01 -0.89 -3.24 114.94 109.04 1aja s ASN 44 Ca -0.03 -1.02 0.01 0.00 -0.71 0.00 0.00 52.86 51.11 1aja s ASN 44 Cb 0.09 0.12 0.01 0.00 0.41 0.00 0.00 41.25 41.88 1aja s ASN 44 CO 0.84 -0.50 -0.04 -0.63 -1.51 0.00 0.00 177.10 175.26 1aja s ILE 45 N -3.69 0.39 -0.10 0.60 1.01 -0.49 -1.64 121.20 117.28 1aja s ILE 45 Ca 0.12 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.63 1aja s ILE 45 Cb 0.06 -0.37 0.01 0.00 0.01 0.00 0.00 42.46 42.18 1aja s ILE 45 CO -0.05 0.14 -0.16 -0.63 0.00 0.00 0.00 174.94 174.24 1aja s ILE 46 N 0.22 1.51 -0.14 2.92 1.01 -0.58 -1.08 121.20 125.06 1aja s ILE 46 Ca -0.02 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 59.98 1aja s ILE 46 Cb -0.06 -1.37 0.02 0.00 0.01 0.00 0.00 42.46 41.06 1aja s ILE 46 CO -0.00 0.44 -0.17 -0.22 0.00 0.00 0.00 174.94 174.99 1aja s LEU 47 N 0.86 1.85 -0.12 2.97 0.20 0.58 -1.67 118.68 123.34 1aja s LEU 47 Ca -0.09 -0.52 -0.01 0.00 0.69 0.00 0.00 54.13 54.20 1aja s LEU 47 Cb -0.15 -1.25 -0.02 0.00 -0.43 0.00 0.00 46.19 44.33 1aja s LEU 47 CO 0.00 0.00 -0.09 -0.76 -0.29 0.00 0.00 176.35 175.22 1aja s LEU 48 N 1.18 2.99 -0.09 -0.68 2.01 0.36 -0.20 118.68 124.24 1aja s LEU 48 Ca -0.01 -0.19 0.02 0.00 0.01 0.00 0.00 54.13 53.97 1aja s LEU 48 Cb -0.14 -1.68 0.01 0.00 0.01 0.00 0.00 46.19 44.39 1aja s LEU 48 CO -0.07 0.22 -0.16 -0.63 1.01 0.00 0.00 176.35 176.72 1aja s ILE 49 N 0.07 1.51 -0.22 -0.59 -1.09 0.15 -2.19 121.20 118.84 1aja s ILE 49 Ca -0.03 -0.68 -0.12 0.00 -2.23 0.00 0.00 60.65 57.59 1aja s ILE 49 Cb -0.14 -1.36 -0.05 0.00 -1.58 0.00 0.00 42.46 39.34 1aja s ILE 49 CO 0.04 0.44 0.24 -0.83 -1.23 0.00 0.00 174.94 173.59 1aja s GLY 50 N 0.74 2.03 -0.32 6.18 0.00 -0.26 -0.95 107.32 114.74 1aja s GLY 50 Ca -0.12 -0.74 -0.28 0.00 0.00 0.00 0.00 44.72 43.58 1aja s GLY 50 CO 0.02 0.50 1.91 0.99 0.00 0.00 0.00 173.10 176.52 1aja s ASP 51 N 0.96 5.74 0.00 1.64 -0.00 -0.57 -2.47 116.67 121.97 1aja s ASP 51 Ca 0.12 1.39 0.00 0.00 -0.00 0.00 0.00 52.55 54.06 1aja s ASP 51 Cb -0.14 -2.52 0.00 0.00 -0.00 0.00 0.00 42.92 40.26 1aja s ASP 51 CO 0.05 -1.81 0.00 0.61 -0.00 0.00 0.00 175.17 174.02 1aja n GLY 52 N 5.52 0.44 3.12 0.21 0.00 -1.22 -4.95 105.19 108.31 1aja n GLY 52 Ca 0.25 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 1aja n GLY 52 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1aja n MET 53 N -2.94 3.59 -2.03 1.61 0.00 -1.03 -3.45 117.12 112.87 1aja n MET 53 Ca 0.00 -3.77 -0.29 0.00 0.00 0.00 0.00 57.70 53.64 1aja n MET 53 Cb 0.00 -2.92 0.18 0.00 0.00 0.00 0.00 33.22 30.48 1aja n MET 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1aja s GLY 54 N 1.42 1.79 0.26 -5.12 0.00 -1.26 -4.34 107.32 100.06 1aja s GLY 54 Ca 0.40 -1.31 -0.03 0.00 0.00 0.00 0.00 44.72 43.78 1aja s GLY 54 CO 0.01 -0.55 1.66 -0.55 0.00 0.00 0.00 173.10 173.67 1aja h ASP 55 N -1.52 -0.07 -0.85 1.64 3.32 -1.92 0.16 116.42 117.18 1aja h ASP 55 Ca -0.43 0.18 0.05 0.00 0.02 0.00 0.00 57.03 56.84 1aja h ASP 55 Cb 1.23 0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.98 1aja h ASP 55 CO 0.37 -0.11 0.56 -1.28 -1.72 0.00 0.00 179.24 177.06 1aja h SER 56 N 0.21 0.88 0.71 6.45 0.87 -1.93 -0.47 113.55 120.27 1aja h SER 56 Ca 0.46 -0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.80 1aja h SER 56 Cb 0.86 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1aja h SER 56 CO -0.60 0.58 -1.02 -0.33 -0.53 0.00 0.00 176.83 174.93 1aja h GLU 57 N 1.01 0.17 -0.42 2.24 3.07 -1.05 -1.57 114.58 118.03 1aja h GLU 57 Ca 0.35 -0.24 -0.11 0.00 -0.50 0.00 0.00 59.36 58.86 1aja h GLU 57 Cb 0.12 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1aja h GLU 57 CO -0.12 1.05 -0.18 0.82 -1.40 0.00 0.00 179.01 179.18 1aja h ILE 58 N 0.07 1.28 -0.05 3.13 2.04 -0.82 -2.33 117.51 120.83 1aja h ILE 58 Ca -0.06 -1.32 -0.00 0.00 1.00 0.00 0.00 64.86 64.47 1aja h ILE 58 Cb 1.72 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1aja h ILE 58 CO 0.15 0.45 0.02 0.74 0.00 0.00 0.00 178.15 179.52 1aja h THR 59 N 0.68 1.08 -0.21 -0.27 2.02 -0.92 -0.76 112.91 114.54 1aja h THR 59 Ca 0.10 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 1aja h THR 59 Cb 0.74 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1aja h THR 59 CO 0.06 0.07 -0.05 0.00 0.37 0.00 0.00 175.52 175.97 1aja h ALA 60 N 0.93 1.54 -0.06 6.16 0.00 -1.27 0.48 119.26 127.05 1aja h ALA 60 Ca 0.02 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 1aja h ALA 60 Cb 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1aja h ALA 60 CO -0.00 0.33 -0.80 0.00 0.00 0.00 0.00 179.25 178.78 1aja h ALA 61 N 1.66 0.50 0.35 0.00 0.00 -1.11 -1.66 119.26 119.00 1aja h ALA 61 Ca 0.07 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1aja h ALA 61 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1aja h ALA 61 CO 0.01 0.77 -0.17 -0.09 0.00 0.00 0.00 179.25 179.78 1aja h ARG 62 N 0.28 -0.46 -0.75 0.00 2.43 -0.47 -0.48 114.38 114.93 1aja h ARG 62 Ca -0.05 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.32 1aja h ARG 62 Cb 1.39 0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 30.92 1aja h ARG 62 CO 0.14 -0.15 0.00 -0.91 -1.51 0.00 0.00 179.97 177.53 1aja h ASN 63 N -0.76 -0.35 0.42 -3.80 2.35 -0.94 0.20 115.58 112.69 1aja h ASN 63 Ca -0.05 0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1aja h ASN 63 Cb 0.51 0.34 0.00 0.00 0.05 0.00 0.00 38.32 39.23 1aja h ASN 63 CO 0.08 -0.18 -0.20 0.22 -1.65 0.00 0.00 177.43 175.70 1aja h TYR 64 N 0.10 -0.52 0.00 1.19 3.20 -1.19 -2.66 116.97 117.09 1aja h TYR 64 Ca 0.41 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.17 1aja h TYR 64 Cb 0.71 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 1aja h TYR 64 CO -0.43 -0.19 -0.93 0.00 -1.64 0.00 0.00 178.16 174.97 1aja h ALA 65 N -0.64 0.66 0.00 1.82 0.00 -0.79 0.84 119.26 121.14 1aja h ALA 65 Ca -0.06 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1aja h ALA 65 Cb 0.56 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1aja h ALA 65 CO 0.09 0.56 -0.53 0.39 0.00 0.00 0.00 179.25 179.76 1aja n GLU 66 N -2.97 2.89 0.00 0.00 -0.58 0.49 -4.85 120.64 115.63 1aja n GLU 66 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1aja n GLU 66 Cb 0.72 -0.74 0.00 0.00 -0.57 0.00 0.00 31.44 30.85 1aja n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1aja n GLY 67 N 1.67 -1.44 0.39 0.62 0.00 -0.00 -3.78 105.19 102.65 1aja n GLY 67 Ca 0.00 -1.45 0.19 0.00 0.00 0.00 0.00 46.02 44.76 1aja n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aja h ALA 68 N 0.00 2.34 -0.54 4.61 0.00 -1.78 0.25 119.26 124.14 1aja h ALA 68 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1aja h ALA 68 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1aja h ALA 68 CO 0.00 -0.53 0.00 0.41 0.00 0.00 0.00 179.25 179.13 1aja n GLY 69 N -1.59 2.58 0.00 0.00 0.00 -1.26 -4.90 105.19 100.02 1aja n GLY 69 Ca 0.13 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1aja n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aja n GLY 70 N 0.81 -0.36 3.64 -0.02 0.00 0.87 -0.30 105.19 109.83 1aja n GLY 70 Ca 0.23 -1.75 -0.06 0.00 0.00 0.00 0.00 46.02 44.45 1aja n GLY 70 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1aja s PHE 71 N -0.16 -0.60 -0.22 1.61 5.36 -1.26 -4.55 117.98 118.16 1aja s PHE 71 Ca 0.00 1.29 -0.23 0.00 -0.96 0.00 0.00 56.93 57.03 1aja s PHE 71 Cb 0.00 0.38 -0.01 0.00 -0.34 0.00 0.00 43.02 43.05 1aja s PHE 71 CO 0.00 -0.29 0.74 -0.06 -1.46 0.00 0.00 175.22 174.15 1aja s PHE 72 N 0.88 3.34 -0.30 10.12 0.08 -1.26 -4.91 117.98 125.93 1aja s PHE 72 Ca -0.04 1.05 0.23 0.00 0.12 0.00 0.00 56.93 58.29 1aja s PHE 72 Cb -0.04 -2.94 1.12 0.00 -0.57 0.00 0.00 43.02 40.58 1aja s PHE 72 CO -0.11 -0.30 1.70 1.63 -0.10 0.00 0.00 175.22 178.03 1aja n LYS 73 N 5.58 0.17 0.00 0.44 4.01 -1.26 -2.23 118.16 124.87 1aja n LYS 73 Ca 0.03 0.55 0.00 0.00 -0.51 0.00 0.00 58.31 58.38 1aja n LYS 73 Cb 0.49 -1.94 0.00 0.00 -0.51 0.00 0.00 35.03 33.07 1aja n LYS 73 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1aja n GLY 74 N -0.73 -0.25 0.37 0.72 0.00 -1.26 -4.48 105.19 99.56 1aja n GLY 74 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1aja n GLY 74 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1aja h ILE 75 N 0.00 0.74 -0.30 -0.61 2.04 -1.79 -1.92 117.51 115.66 1aja h ILE 75 Ca 0.00 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1aja h ILE 75 Cb 0.00 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.02 1aja h ILE 75 CO 0.00 0.13 0.00 0.47 0.00 0.00 0.00 178.15 178.75 1aja n ASP 76 N -4.69 2.91 -1.17 1.72 8.00 -0.95 -4.19 116.55 118.18 1aja n ASP 76 Ca 0.22 -1.91 0.12 0.00 0.71 0.00 0.00 54.79 53.92 1aja n ASP 76 Cb 0.56 -0.19 0.24 0.00 -0.02 0.00 0.00 41.12 41.71 1aja n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aja n ALA 77 N 1.15 2.42 -2.67 2.24 0.00 -0.72 -4.85 120.51 118.06 1aja n ALA 77 Ca 0.18 -1.03 -0.40 0.00 0.00 0.00 0.00 53.44 52.19 1aja n ALA 77 Cb 0.53 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 1aja n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1aja s LEU 78 N -1.40 4.18 0.34 0.00 1.43 -1.26 -0.56 118.68 121.40 1aja s LEU 78 Ca 0.41 0.99 0.14 0.00 -1.03 0.00 0.00 54.13 54.63 1aja s LEU 78 Cb 0.23 -3.02 0.59 0.00 0.03 0.00 0.00 46.19 44.02 1aja s LEU 78 CO 0.32 -0.29 1.73 1.55 0.23 0.00 0.00 176.35 179.89 1aja h PRO 79 N 7.32 0.00 -5.23 1.29 0.13 -1.87 -3.44 132.00 130.20 1aja h PRO 79 Ca -0.32 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.17 1aja h PRO 79 Cb 1.15 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.07 1aja h PRO 79 CO 0.79 0.46 -0.64 -0.51 -0.23 0.00 0.00 178.00 177.87 1aja s LEU 80 N -7.68 3.38 0.02 1.56 1.43 -1.01 -4.99 118.68 111.40 1aja s LEU 80 Ca -0.02 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1aja s LEU 80 Cb 0.13 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 1aja s LEU 80 CO 0.73 0.13 -0.07 0.42 0.23 0.00 0.00 176.35 177.79 1aja s THR 81 N 0.60 0.50 0.10 5.49 -4.23 -1.26 -0.52 115.64 116.32 1aja s THR 81 Ca -0.01 -0.74 -0.03 0.00 -1.18 0.00 0.00 61.69 59.74 1aja s THR 81 Cb -0.14 -0.51 0.01 0.00 1.34 0.00 0.00 72.50 73.20 1aja s THR 81 CO 0.02 -0.18 0.18 0.61 -0.54 0.00 0.00 174.62 174.72 1aja n GLY 82 N 2.06 2.03 3.23 3.99 0.00 -0.78 -3.94 105.19 111.78 1aja n GLY 82 Ca -0.19 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.41 1aja n GLY 82 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aja s GLN 83 N -2.07 1.42 0.10 1.61 1.11 -0.76 -1.63 119.66 119.45 1aja s GLN 83 Ca 0.05 -0.86 0.03 0.00 0.01 0.00 0.00 55.36 54.59 1aja s GLN 83 Cb -0.01 -1.48 -0.04 0.00 -1.01 0.00 0.00 33.01 30.47 1aja s GLN 83 CO 0.04 0.39 -0.09 1.52 0.01 0.00 0.00 175.29 177.15 1aja s TYR 84 N -0.70 1.05 0.32 0.91 -0.85 0.06 -1.51 117.35 116.63 1aja s TYR 84 Ca 0.07 -0.72 -0.09 0.00 -0.52 0.00 0.00 57.07 55.81 1aja s TYR 84 Cb -0.08 -0.57 -0.07 0.00 0.38 0.00 0.00 41.96 41.62 1aja s TYR 84 CO 0.01 -0.02 0.65 0.95 -1.52 0.00 0.00 175.55 175.62 1aja s THR 85 N -2.80 4.88 -0.03 -3.49 -4.23 -0.72 -2.57 115.64 106.69 1aja s THR 85 Ca 0.08 0.46 0.17 0.00 -1.18 0.00 0.00 61.69 61.22 1aja s THR 85 Cb -0.01 -3.69 0.30 0.00 1.34 0.00 0.00 72.50 70.44 1aja s THR 85 CO -0.01 -0.31 1.13 0.00 -0.54 0.00 0.00 174.62 174.88 1aja n HIS 86 N -0.80 0.01 -1.91 3.99 1.44 -1.26 -0.46 115.22 116.22 1aja n HIS 86 Ca 0.01 -0.65 -0.37 0.00 -2.01 0.00 0.00 57.72 54.70 1aja n HIS 86 Cb 0.53 0.12 0.04 0.00 0.12 0.00 0.00 29.99 30.80 1aja n HIS 86 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1aja s TYR 87 N -0.25 2.34 0.33 -1.40 1.13 -1.26 -4.34 117.35 113.90 1aja s TYR 87 Ca 0.22 1.47 0.03 0.00 -1.41 0.00 0.00 57.07 57.37 1aja s TYR 87 Cb 0.26 -3.61 0.06 0.00 -1.10 0.00 0.00 41.96 37.57 1aja s TYR 87 CO -0.11 -2.50 0.45 0.00 -2.51 0.00 0.00 175.55 170.89 1aja n ALA 88 N -1.38 0.39 -2.42 9.51 0.00 0.96 -4.90 120.51 122.67 1aja n ALA 88 Ca 0.12 -1.02 -0.30 0.00 0.00 0.00 0.00 53.44 52.24 1aja n ALA 88 Cb 0.48 0.23 -0.13 0.00 0.00 0.00 0.00 19.45 20.03 1aja n ALA 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1aja s LEU 89 N 0.00 2.47 0.06 0.00 1.43 0.13 -0.08 118.68 122.69 1aja s LEU 89 Ca 0.32 -0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 52.60 1aja s LEU 89 Cb -0.02 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 1aja s LEU 89 CO 0.21 0.24 0.98 0.21 0.23 0.00 0.00 176.35 178.21 1aja s ASN 90 N -1.53 7.43 0.20 2.29 3.84 0.56 -4.04 114.94 123.69 1aja s ASN 90 Ca 0.14 1.75 -0.09 0.00 0.21 0.00 0.00 52.86 54.87 1aja s ASN 90 Cb -0.10 -2.58 0.12 0.00 -0.55 0.00 0.00 41.25 38.14 1aja s ASN 90 CO 0.05 -0.16 1.73 0.50 -2.79 0.00 0.00 177.10 176.43 1aja h LYS 91 N 6.11 1.12 0.07 0.43 3.64 -1.93 0.35 116.57 126.37 1aja h LYS 91 Ca -0.42 -0.25 -0.25 0.00 -1.27 0.00 0.00 60.65 58.47 1aja h LYS 91 Cb 1.21 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1aja h LYS 91 CO 0.73 0.96 -1.11 -0.22 -2.27 0.00 0.00 179.45 177.55 1aja h LYS 92 N 1.07 0.24 0.00 1.90 1.63 -1.94 -3.35 116.57 116.12 1aja h LYS 92 Ca 0.23 -0.36 -0.12 0.00 -0.85 0.00 0.00 60.65 59.55 1aja h LYS 92 Cb 0.31 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 1aja h LYS 92 CO -0.01 1.13 -1.76 0.25 -3.45 0.00 0.00 179.45 175.61 1aja n THR 93 N -3.56 0.71 -0.95 1.00 -2.24 -1.16 -4.95 114.28 103.13 1aja n THR 93 Ca -0.06 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1aja n THR 93 Cb 0.95 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1aja n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aja n GLY 94 N 1.39 0.28 3.87 3.38 0.00 0.12 -4.98 105.19 109.26 1aja n GLY 94 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1aja n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aja s LYS 95 N -0.95 3.43 0.52 1.61 1.02 -1.26 -4.72 119.74 119.40 1aja s LYS 95 Ca 0.00 0.69 -0.20 0.00 0.02 0.00 0.00 55.97 56.48 1aja s LYS 95 Cb 0.00 -2.07 -0.06 0.00 -0.52 0.00 0.00 37.83 35.18 1aja s LYS 95 CO 0.00 -0.68 1.15 -2.14 -0.92 0.00 0.00 175.35 172.77 1aja s PRO 96 N -5.22 3.44 -0.25 -1.68 0.02 -1.26 -0.32 135.00 129.73 1aja s PRO 96 Ca 0.56 1.69 0.01 0.00 0.02 0.00 0.00 61.00 63.28 1aja s PRO 96 Cb -0.11 -2.12 0.07 0.00 0.02 0.00 0.00 34.50 32.35 1aja s PRO 96 CO 0.54 -0.80 -0.03 0.34 -0.33 0.00 0.00 177.00 176.72 1aja s ASP 97 N -1.61 3.94 0.32 2.53 -1.08 0.88 -4.59 116.67 117.06 1aja s ASP 97 Ca 0.70 -1.30 0.02 0.00 -0.52 0.00 0.00 52.55 51.46 1aja s ASP 97 Cb -0.26 -1.19 0.53 0.00 -1.46 0.00 0.00 42.92 40.55 1aja s ASP 97 CO 0.30 -0.27 1.86 1.88 0.52 0.00 0.00 175.17 179.47 1aja h TYR 98 N 7.94 0.66 -3.35 -5.34 0.05 -1.95 0.27 116.97 115.25 1aja h TYR 98 Ca -0.16 -0.06 -0.73 0.00 0.05 0.00 0.00 58.73 57.83 1aja h TYR 98 Cb 1.06 -0.19 -0.30 0.00 1.01 0.00 0.00 36.73 38.31 1aja h TYR 98 CO 0.48 0.60 -0.36 0.08 -1.05 0.00 0.00 178.16 177.91 1aja s VAL 99 N -5.08 4.24 0.98 -2.88 1.01 -1.26 -4.49 120.40 112.92 1aja s VAL 99 Ca -0.08 -1.94 -0.12 0.00 0.00 0.00 0.00 61.98 59.84 1aja s VAL 99 Cb 0.16 -3.78 0.18 0.00 0.00 0.00 0.00 36.38 32.93 1aja s VAL 99 CO 0.78 -0.80 1.09 0.28 0.00 0.00 0.00 175.10 176.44 1aja s THR 100 N 1.16 2.34 0.55 3.92 -1.32 -1.26 -4.86 115.64 116.16 1aja s THR 100 Ca 0.07 0.11 0.04 0.00 -1.21 0.00 0.00 61.69 60.70 1aja s THR 100 Cb -0.25 -2.36 0.04 0.00 -1.51 0.00 0.00 72.50 68.42 1aja s THR 100 CO -0.02 -0.14 0.31 -0.90 -2.21 0.00 0.00 174.62 171.66 1aja n ASP 101 N -4.27 2.96 0.23 8.08 5.75 -1.26 -4.84 116.55 123.19 1aja n ASP 101 Ca 0.07 -3.02 0.11 0.00 -0.01 0.00 0.00 54.79 51.94 1aja n ASP 101 Cb 0.54 0.06 0.52 0.00 -1.03 0.00 0.00 41.12 41.21 1aja n ASP 101 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1aja h SER 102 N 0.82 0.00 -0.02 -1.12 0.02 -1.99 -3.12 113.55 108.14 1aja h SER 102 Ca -0.37 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 1aja h SER 102 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1aja h SER 102 CO 0.60 0.20 -0.06 0.00 -1.14 0.00 0.00 176.83 176.42 1aja h ALA 103 N 1.80 0.04 -0.58 3.77 0.00 -1.90 -0.95 119.26 121.44 1aja h ALA 103 Ca -0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1aja h ALA 103 Cb 0.67 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1aja h ALA 103 CO 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 179.25 179.14 1aja h ALA 104 N 0.40 0.79 -0.24 0.00 0.00 -1.64 0.40 119.26 118.95 1aja h ALA 104 Ca -0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1aja h ALA 104 Cb 0.69 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1aja h ALA 104 CO 0.01 0.65 0.00 0.66 0.00 0.00 0.00 179.25 180.57 1aja h SER 105 N 0.94 0.42 -0.95 0.00 4.64 -1.59 0.18 113.55 117.19 1aja h SER 105 Ca 0.16 -0.31 0.05 0.00 -0.47 0.00 0.00 61.79 61.22 1aja h SER 105 Cb 0.59 -0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 62.51 1aja h SER 105 CO 0.04 0.63 0.62 0.00 -0.87 0.00 0.00 176.83 177.24 1aja h ALA 106 N 0.81 1.43 -0.38 5.18 0.00 -0.80 -1.84 119.26 123.65 1aja h ALA 106 Ca 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1aja h ALA 106 Cb 0.41 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1aja h ALA 106 CO 0.01 0.45 0.11 1.15 0.00 0.00 0.00 179.25 180.98 1aja h THR 107 N 1.14 1.22 -0.77 0.00 2.02 -0.60 -1.50 112.91 114.42 1aja h THR 107 Ca 0.39 -0.71 0.06 0.00 0.77 0.00 0.00 66.41 66.92 1aja h THR 107 Cb 0.10 0.96 -0.06 0.00 -1.74 0.00 0.00 68.15 67.41 1aja h THR 107 CO -0.14 0.25 0.45 0.00 0.37 0.00 0.00 175.52 176.45 1aja h ALA 108 N 0.96 1.05 0.00 6.16 0.00 -0.13 0.13 119.26 127.43 1aja h ALA 108 Ca 0.12 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 1aja h ALA 108 Cb 0.27 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1aja h ALA 108 CO -0.00 0.15 -1.19 0.11 0.00 0.00 0.00 179.25 178.33 1aja h TRP 109 N 0.82 0.00 0.00 0.00 0.09 -1.44 -0.94 115.95 114.49 1aja h TRP 109 Ca 0.34 0.00 -0.18 0.00 0.09 0.00 0.00 58.89 59.15 1aja h TRP 109 Cb 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 29.16 29.41 1aja h TRP 109 CO -0.06 0.67 -0.86 0.66 0.09 0.00 0.00 178.44 178.95 1aja h SER 110 N 0.00 0.00 0.00 0.11 4.64 -0.88 -3.31 113.55 114.11 1aja h SER 110 Ca -0.12 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1aja h SER 110 Cb 1.62 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1aja h SER 110 CO 0.07 0.82 -1.24 0.35 -0.87 0.00 0.00 176.83 175.95 1aja n THR 111 N -3.29 0.00 -1.43 2.95 -2.24 0.43 -0.58 114.28 110.13 1aja n THR 111 Ca -0.00 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1aja n THR 111 Cb 0.87 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 1aja n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aja n GLY 112 N 2.20 0.50 2.86 3.38 0.00 -0.36 -4.89 105.19 108.88 1aja n GLY 112 Ca -0.01 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 1aja n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aja s VAL 113 N -2.00 0.07 0.51 1.61 0.11 -1.25 -4.93 120.40 114.52 1aja s VAL 113 Ca 0.00 0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 58.87 1aja s VAL 113 Cb 0.00 -0.10 -0.08 0.00 -1.53 0.00 0.00 36.38 34.68 1aja s VAL 113 CO 0.00 0.05 1.04 -0.54 -3.33 0.00 0.00 175.10 172.31 1aja s LYS 114 N 0.25 3.73 0.00 1.54 -0.14 -1.26 -3.76 119.74 120.10 1aja s LYS 114 Ca -0.02 1.30 0.00 0.00 -1.36 0.00 0.00 55.97 55.89 1aja s LYS 114 Cb -0.04 -2.09 0.00 0.00 -1.68 0.00 0.00 37.83 34.02 1aja s LYS 114 CO -0.01 -0.48 0.00 -2.37 -0.76 0.00 0.00 175.35 171.73 1aja n THR 115 N -1.20 0.00 -3.89 2.17 5.66 -1.26 -4.41 114.28 111.35 1aja n THR 115 Ca 0.09 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.88 1aja n THR 115 Cb 0.53 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.28 1aja n THR 115 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1aja s TYR 116 N -2.87 3.24 -0.17 1.09 1.13 -1.26 -0.69 117.35 117.83 1aja s TYR 116 Ca 0.00 -0.11 -0.29 0.00 -1.41 0.00 0.00 57.07 55.26 1aja s TYR 116 Cb 0.00 -1.64 -0.04 0.00 -1.10 0.00 0.00 41.96 39.18 1aja s TYR 116 CO 0.00 0.34 1.76 -0.80 -2.51 0.00 0.00 175.55 174.34 1aja s ASN 117 N -3.99 6.27 0.00 -0.18 0.01 -1.26 -2.23 114.94 113.56 1aja s ASN 117 Ca 0.37 1.85 0.00 0.00 -0.71 0.00 0.00 52.86 54.37 1aja s ASN 117 Cb -0.08 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1aja s ASN 117 CO 0.28 -1.31 0.00 0.61 -1.51 0.00 0.00 177.10 175.17 1aja n GLY 118 N 4.77 2.20 3.81 0.66 0.00 -1.26 -4.99 105.19 110.39 1aja n GLY 118 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1aja n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aja s ALA 119 N -1.97 3.13 -0.11 4.61 0.00 -0.95 0.14 121.76 126.62 1aja s ALA 119 Ca 0.00 0.39 -0.00 0.00 0.00 0.00 0.00 51.96 52.34 1aja s ALA 119 Cb 0.00 -3.11 0.03 0.00 0.00 0.00 0.00 23.12 20.04 1aja s ALA 119 CO 0.00 0.17 -0.07 -0.51 0.00 0.00 0.00 175.76 175.35 1aja s LEU 120 N -2.81 1.17 0.00 0.00 1.43 -0.98 -3.75 118.68 113.74 1aja s LEU 120 Ca 0.57 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1aja s LEU 120 Cb -0.12 -0.82 0.00 0.00 0.03 0.00 0.00 46.19 45.28 1aja s LEU 120 CO 0.17 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.23 1aja n GLY 121 N 4.95 0.42 3.28 -3.19 0.00 -1.25 -0.97 105.19 108.42 1aja n GLY 121 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 1aja n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1aja s VAL 122 N -2.05 1.73 0.11 1.61 -7.23 -1.26 -2.24 120.40 111.07 1aja s VAL 122 Ca 0.00 -1.42 -0.01 0.00 -1.81 0.00 0.00 61.98 58.74 1aja s VAL 122 Cb 0.00 -1.54 0.02 0.00 0.56 0.00 0.00 36.38 35.42 1aja s VAL 122 CO 0.00 0.05 0.15 -0.90 -0.31 0.00 0.00 175.10 174.10 1aja n ASP 123 N 1.38 0.07 0.00 4.85 5.68 -0.43 -4.73 116.55 123.37 1aja n ASP 123 Ca -0.19 -1.09 0.07 0.00 -0.50 0.00 0.00 54.79 53.08 1aja n ASP 123 Cb 0.53 -0.11 0.34 0.00 -1.14 0.00 0.00 41.12 40.74 1aja n ASP 123 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1aja n ILE 124 N -1.98 0.78 -0.89 2.12 -5.35 -1.26 -1.47 119.36 111.30 1aja n ILE 124 Ca 0.02 0.19 0.08 0.00 -0.27 0.00 0.00 62.75 62.77 1aja n ILE 124 Cb 0.07 -0.96 0.37 0.00 -1.74 0.00 0.00 39.64 37.39 1aja n ILE 124 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1aja n HIS 125 N -1.37 1.79 -1.19 4.28 8.25 -1.26 -4.93 115.22 120.79 1aja n HIS 125 Ca 0.05 -0.74 -0.10 0.00 -0.26 0.00 0.00 57.72 56.68 1aja n HIS 125 Cb 0.13 -0.44 -0.04 0.00 1.12 0.00 0.00 29.99 30.76 1aja n HIS 125 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1aja n GLU 126 N 0.46 -1.42 -2.95 -0.41 1.02 -0.54 -4.96 120.64 111.85 1aja n GLU 126 Ca 0.26 0.62 -0.34 0.00 -0.02 0.00 0.00 57.16 57.68 1aja n GLU 126 Cb 1.10 -4.72 -0.07 0.00 -0.02 0.00 0.00 31.44 27.73 1aja n GLU 126 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1aja s LYS 127 N -2.63 4.23 0.31 3.49 -0.14 -1.26 -4.75 119.74 118.99 1aja s LYS 127 Ca 0.00 0.99 -0.19 0.00 -1.36 0.00 0.00 55.97 55.40 1aja s LYS 127 Cb 0.00 -2.47 -0.09 0.00 -1.68 0.00 0.00 37.83 33.59 1aja s LYS 127 CO 0.00 0.14 0.81 -0.51 -0.76 0.00 0.00 175.35 175.03 1aja s ASP 128 N -2.03 6.98 0.02 2.83 1.01 -1.26 -1.31 116.67 122.91 1aja s ASP 128 Ca 0.55 1.49 0.06 0.00 0.71 0.00 0.00 52.55 55.36 1aja s ASP 128 Cb -0.12 -2.45 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 1aja s ASP 128 CO 0.17 -0.14 -0.19 -1.00 0.21 0.00 0.00 175.17 174.22 1aja s HIS 129 N -1.82 1.65 0.32 4.23 3.76 -0.95 -4.93 115.29 117.56 1aja s HIS 129 Ca 0.52 -0.35 -0.29 0.00 -0.15 0.00 0.00 55.06 54.79 1aja s HIS 129 Cb -0.13 -1.01 -0.11 0.00 1.11 0.00 0.00 32.58 32.44 1aja s HIS 129 CO 0.19 0.04 1.43 -1.25 -0.85 0.00 0.00 174.74 174.29 1aja s PRO 130 N -0.90 4.23 0.48 8.40 0.04 -1.26 -4.88 135.00 141.12 1aja s PRO 130 Ca 0.06 2.39 -0.04 0.00 0.04 0.00 0.00 61.00 63.46 1aja s PRO 130 Cb -0.08 -3.04 -0.02 0.00 0.04 0.00 0.00 34.50 31.40 1aja s PRO 130 CO 0.01 -0.40 0.76 0.95 0.04 0.00 0.00 177.00 178.36 1aja s THR 131 N -0.76 4.57 0.51 1.26 -4.23 -1.26 -4.45 115.64 111.28 1aja s THR 131 Ca 0.54 -0.02 0.20 0.00 -1.18 0.00 0.00 61.69 61.23 1aja s THR 131 Cb -0.43 -3.73 0.34 0.00 1.34 0.00 0.00 72.50 70.01 1aja s THR 131 CO 0.54 -0.67 2.05 -0.29 -0.54 0.00 0.00 174.62 175.71 1aja h ILE 132 N 0.24 0.87 0.02 2.99 6.09 -1.18 0.05 117.51 126.59 1aja h ILE 132 Ca -0.47 -0.03 -0.23 0.00 -1.37 0.00 0.00 64.86 62.76 1aja h ILE 132 Cb 1.22 0.79 0.02 0.00 0.47 0.00 0.00 36.82 39.32 1aja h ILE 132 CO 0.61 0.01 -0.92 0.25 -3.07 0.00 0.00 178.15 175.03 1aja h LEU 133 N 0.07 0.77 -0.87 2.19 6.46 -1.85 -0.80 115.31 121.28 1aja h LEU 133 Ca 0.16 -0.77 0.01 0.00 -0.12 0.00 0.00 57.88 57.16 1aja h LEU 133 Cb 0.54 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.19 1aja h LEU 133 CO -0.01 1.44 0.57 -0.33 -0.62 0.00 0.00 178.44 179.48 1aja h GLU 134 N 0.18 1.16 -0.37 1.25 5.08 -1.54 -0.87 114.58 119.45 1aja h GLU 134 Ca -0.12 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 1aja h GLU 134 Cb 1.60 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1aja h GLU 134 CO 0.18 0.78 -0.17 0.52 -1.00 0.00 0.00 179.01 179.32 1aja h MET 135 N 1.18 0.77 -0.46 2.33 2.86 -1.05 -0.07 114.93 120.50 1aja h MET 135 Ca 0.32 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1aja h MET 135 Cb -0.12 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1aja h MET 135 CO -0.07 0.95 0.30 0.00 1.06 0.00 0.00 176.91 179.16 1aja h ALA 136 N 0.80 0.58 -0.35 6.32 0.00 -0.65 -2.30 119.26 123.67 1aja h ALA 136 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1aja h ALA 136 Cb 0.71 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1aja h ALA 136 CO 0.05 0.04 0.19 -0.22 0.00 0.00 0.00 179.25 179.31 1aja h LYS 137 N 0.62 0.48 -0.15 0.00 3.64 -1.14 -1.36 116.57 118.67 1aja h LYS 137 Ca 0.17 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1aja h LYS 137 Cb -0.07 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1aja h LYS 137 CO -0.04 0.40 0.14 0.00 -2.27 0.00 0.00 179.45 177.68 1aja h ALA 138 N 1.06 1.88 -0.07 5.00 0.00 -0.70 -1.44 119.26 124.99 1aja h ALA 138 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1aja h ALA 138 Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1aja h ALA 138 CO -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.02 1aja n ALA 139 N -2.42 2.57 -0.54 0.00 0.00 -0.58 -4.90 120.51 114.65 1aja n ALA 139 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1aja n ALA 139 Cb 0.26 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1aja n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aja n GLY 140 N 1.06 0.74 3.83 0.00 0.00 -0.54 -5.05 105.19 105.23 1aja n GLY 140 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1aja n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aja s LEU 141 N 0.00 4.09 0.56 0.99 1.02 -0.80 -4.76 118.68 119.79 1aja s LEU 141 Ca 0.00 1.41 -0.17 0.00 0.02 0.00 0.00 54.13 55.39 1aja s LEU 141 Cb 0.00 -4.11 -0.05 0.00 0.02 0.00 0.00 46.19 42.05 1aja s LEU 141 CO 0.00 -0.20 1.05 0.00 0.02 0.00 0.00 176.35 177.22 1aja s ALA 142 N -1.95 2.78 0.02 4.21 0.00 -0.65 -4.22 121.76 121.95 1aja s ALA 142 Ca 0.54 0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.94 1aja s ALA 142 Cb -0.11 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 1aja s ALA 142 CO 0.17 -0.67 0.03 0.95 0.00 0.00 0.00 175.76 176.24 1aja s THR 143 N -2.30 0.11 -0.00 0.00 -4.23 -1.26 -1.62 115.64 106.33 1aja s THR 143 Ca 0.65 -0.90 -0.18 0.00 -1.18 0.00 0.00 61.69 60.08 1aja s THR 143 Cb -0.16 -0.42 0.03 0.00 1.34 0.00 0.00 72.50 73.29 1aja s THR 143 CO 0.32 -0.50 0.39 -0.83 -0.54 0.00 0.00 174.62 173.47 1aja s GLY 144 N -1.56 -0.25 -0.04 3.99 0.00 -0.52 -2.05 107.32 106.90 1aja s GLY 144 Ca -0.14 0.47 -0.01 0.00 0.00 0.00 0.00 44.72 45.04 1aja s GLY 144 CO -0.01 0.22 0.03 0.21 0.00 0.00 0.00 173.10 173.55 1aja s ASN 145 N -1.51 0.84 -0.01 1.64 2.47 -0.28 -1.99 114.94 116.10 1aja s ASN 145 Ca -0.11 0.02 0.02 0.00 0.42 0.00 0.00 52.86 53.22 1aja s ASN 145 Cb -0.03 -0.20 -0.00 0.00 -1.45 0.00 0.00 41.25 39.57 1aja s ASN 145 CO 0.03 -0.18 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.47 1aja s VAL 146 N 1.65 0.60 0.13 -5.21 1.01 -0.22 -2.31 120.40 116.04 1aja s VAL 146 Ca -0.01 -0.31 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1aja s VAL 146 Cb -0.13 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1aja s VAL 146 CO -0.03 0.17 0.23 -0.55 0.00 0.00 0.00 175.10 174.92 1aja s SER 147 N -0.10 0.09 0.00 3.32 0.15 -0.74 -0.60 113.70 115.82 1aja s SER 147 Ca 0.02 -0.78 0.18 0.00 0.70 0.00 0.00 55.95 56.06 1aja s SER 147 Cb -0.04 0.39 0.15 0.00 -1.71 0.00 0.00 66.02 64.80 1aja s SER 147 CO -0.00 -0.81 1.07 0.35 1.20 0.00 0.00 173.24 175.04 1aja n THR 148 N -0.14 0.02 -3.17 6.45 -2.24 -1.08 -4.02 114.28 110.09 1aja n THR 148 Ca -0.11 -0.51 -0.02 0.00 -2.27 0.00 0.00 64.05 61.14 1aja n THR 148 Cb 0.63 1.35 0.01 0.00 -2.10 0.00 0.00 70.33 70.21 1aja n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aja n ALA 149 N 0.99 0.12 -1.83 6.98 0.00 -1.26 -0.92 120.51 124.59 1aja n ALA 149 Ca 0.10 -0.23 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 1aja n ALA 149 Cb 0.44 0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 1aja n ALA 149 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1aja s GLU 150 N -2.27 4.34 0.42 0.00 -1.05 -1.26 -0.99 118.70 117.90 1aja s GLU 150 Ca 0.06 2.21 0.29 0.00 -0.15 0.00 0.00 54.97 57.37 1aja s GLU 150 Cb -0.00 -3.10 1.47 0.00 -0.44 0.00 0.00 34.13 32.06 1aja s GLU 150 CO 0.04 -0.24 1.89 -0.07 0.95 0.00 0.00 175.26 177.82 1aja h LEU 151 N 4.07 0.00 -0.14 1.83 3.38 -1.49 0.10 115.31 123.07 1aja h LEU 151 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1aja h LEU 151 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1aja h LEU 151 CO 0.70 0.00 -0.13 0.00 0.09 0.00 0.00 178.44 179.10 1aja n GLN 152 N -2.56 0.46 -1.76 1.13 3.00 -1.26 -3.42 117.38 112.96 1aja n GLN 152 Ca -0.01 -0.14 -0.35 0.00 -0.01 0.00 0.00 57.00 56.49 1aja n GLN 152 Cb 0.12 -1.50 0.06 0.00 0.00 0.00 0.00 30.24 28.92 1aja n GLN 152 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1aja s GLY 153 N -2.64 2.54 0.25 1.08 0.00 0.36 -4.65 107.32 104.25 1aja s GLY 153 Ca 0.24 0.92 -0.09 0.00 0.00 0.00 0.00 44.72 45.79 1aja s GLY 153 CO 0.51 1.31 1.60 0.00 0.00 0.00 0.00 173.10 176.53 1aja h ALA 154 N 0.35 0.65 0.16 3.20 0.00 -1.90 -0.72 119.26 121.00 1aja h ALA 154 Ca -0.49 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1aja h ALA 154 Cb 1.29 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1aja h ALA 154 CO 0.53 -0.42 -0.08 1.15 0.00 0.00 0.00 179.25 180.43 1aja h THR 155 N 0.03 0.94 -0.35 0.00 2.02 -1.92 -0.43 112.91 113.20 1aja h THR 155 Ca 0.41 -0.49 -0.15 0.00 0.77 0.00 0.00 66.41 66.95 1aja h THR 155 Cb 0.68 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1aja h THR 155 CO -0.79 0.11 -0.37 1.55 0.37 0.00 0.00 175.52 176.40 1aja h PRO 156 N -0.45 0.82 -0.15 6.66 0.13 -1.79 -3.30 132.00 133.92 1aja h PRO 156 Ca -0.02 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1aja h PRO 156 Cb 0.35 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 1aja h PRO 156 CO 0.04 1.05 0.10 0.00 -0.23 0.00 0.00 178.00 178.95 1aja h ALA 157 N 0.90 0.19 -0.19 -0.56 0.00 -1.05 -2.55 119.26 115.99 1aja h ALA 157 Ca 0.06 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1aja h ALA 157 Cb 0.93 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1aja h ALA 157 CO 0.09 -0.33 0.53 0.00 0.00 0.00 0.00 179.25 179.53 1aja h ALA 158 N 1.05 1.77 0.00 0.00 0.00 -1.15 0.19 119.26 121.13 1aja h ALA 158 Ca 0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1aja h ALA 158 Cb -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1aja h ALA 158 CO -0.01 -0.63 -0.43 -0.07 0.00 0.00 0.00 179.25 178.11 1aja h LEU 159 N 0.00 0.00 0.00 0.00 4.07 -1.61 -3.40 115.31 114.37 1aja h LEU 159 Ca 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 1aja h LEU 159 Cb 1.14 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.88 1aja h LEU 159 CO -0.00 0.43 -1.02 1.33 -1.08 0.00 0.00 178.44 178.09 1aja n VAL 160 N -3.27 0.01 -4.28 1.22 0.24 0.48 -4.49 118.33 108.24 1aja n VAL 160 Ca 0.02 -0.01 -0.27 0.00 -2.04 0.00 0.00 64.34 62.03 1aja n VAL 160 Cb 0.67 0.16 -0.09 0.00 -1.47 0.00 0.00 33.84 33.10 1aja n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1aja s ALA 161 N -2.03 2.96 -0.30 2.33 0.00 -0.10 -4.47 121.76 120.15 1aja s ALA 161 Ca -0.00 -1.44 -0.02 0.00 0.00 0.00 0.00 51.96 50.50 1aja s ALA 161 Cb 0.00 -0.77 0.10 0.00 0.00 0.00 0.00 23.12 22.45 1aja s ALA 161 CO 0.02 0.49 0.11 -1.01 0.00 0.00 0.00 175.76 175.37 1aja s HIS 162 N -1.64 1.29 0.16 0.00 0.09 -1.25 -3.92 115.29 110.02 1aja s HIS 162 Ca 0.25 -1.48 0.02 0.00 -0.00 0.00 0.00 55.06 53.84 1aja s HIS 162 Cb -0.09 -1.47 -0.05 0.00 -0.00 0.00 0.00 32.58 30.97 1aja s HIS 162 CO 0.15 -0.86 -0.00 0.14 -0.00 0.00 0.00 174.74 174.17 1aja s VAL 163 N 1.76 0.66 -2.26 -0.90 -7.23 -0.15 -4.92 120.40 107.36 1aja s VAL 163 Ca 0.10 -1.97 0.29 0.00 -1.81 0.00 0.00 61.98 58.58 1aja s VAL 163 Cb -0.17 -2.08 0.57 0.00 0.56 0.00 0.00 36.38 35.26 1aja s VAL 163 CO -0.29 -0.51 1.81 0.35 -0.31 0.00 0.00 175.10 176.15 1aja n THR 164 N -0.22 0.00 -3.73 5.32 -2.24 -1.26 -2.32 114.28 109.83 1aja n THR 164 Ca -0.07 -0.18 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 1aja n THR 164 Cb 0.63 0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 69.03 1aja n THR 164 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1aja s SER 165 N -2.10 -0.44 0.63 3.42 0.15 -1.25 -4.21 113.70 109.90 1aja s SER 165 Ca 0.37 0.82 0.39 0.00 0.70 0.00 0.00 55.95 58.24 1aja s SER 165 Cb 0.21 0.81 2.10 0.00 -1.71 0.00 0.00 66.02 67.43 1aja s SER 165 CO 0.37 -0.15 2.28 0.08 1.20 0.00 0.00 173.24 177.02 1aja h ARG 166 N 5.81 0.00 0.00 5.44 0.11 -0.61 -1.97 114.38 123.15 1aja h ARG 166 Ca -0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.79 1aja h ARG 166 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 1aja h ARG 166 CO 0.26 0.01 0.00 1.63 0.10 0.00 0.00 179.97 181.97 1aja n LYS 167 N -3.28 0.07 -1.78 0.08 5.02 -1.26 -4.40 118.16 112.61 1aja n LYS 167 Ca -0.02 0.17 -0.40 0.00 -2.02 0.00 0.00 58.31 56.03 1aja n LYS 167 Cb 0.12 -1.61 -0.01 0.00 -0.02 0.00 0.00 35.03 33.51 1aja n LYS 167 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aja h TYR 169 N 5.18 -1.30 -4.58 0.00 -1.99 -1.86 -0.15 116.97 112.27 1aja h TYR 169 Ca 0.68 -0.01 -0.28 0.00 2.00 0.00 0.00 58.73 61.12 1aja h TYR 169 Cb 0.41 0.46 -0.14 0.00 2.00 0.00 0.00 36.73 39.46 1aja h TYR 169 CO 1.61 -0.73 -0.55 0.20 -0.00 0.00 0.00 178.16 178.69 1aja s GLY 170 N -2.05 1.56 0.26 3.88 0.00 -1.26 -1.34 107.32 108.37 1aja s GLY 170 Ca -0.19 -1.72 -0.05 0.00 0.00 0.00 0.00 44.72 42.76 1aja s GLY 170 CO 0.60 -1.35 1.42 -1.05 0.00 0.00 0.00 173.10 172.72 1aja n PRO 171 N -0.36 -0.08 0.20 2.90 -0.02 -1.26 -1.13 135.00 135.25 1aja n PRO 171 Ca 0.03 1.40 -0.17 0.00 -2.02 0.00 0.00 63.50 62.74 1aja n PRO 171 Cb 0.65 -2.13 -0.10 0.00 -0.02 0.00 0.00 33.50 31.91 1aja n PRO 171 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1aja h SER 172 N 0.00 -1.44 0.61 2.55 0.02 -1.97 -1.13 113.55 112.18 1aja h SER 172 Ca 0.47 0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 61.47 1aja h SER 172 Cb 0.79 0.51 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 1aja h SER 172 CO -0.91 -0.60 -0.38 0.00 -1.14 0.00 0.00 176.83 173.80 1aja h ALA 173 N -0.64 1.15 -0.01 3.77 0.00 -1.46 -2.94 119.26 119.12 1aja h ALA 173 Ca -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1aja h ALA 173 Cb 0.81 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1aja h ALA 173 CO -0.17 0.47 -0.02 1.15 0.00 0.00 0.00 179.25 180.68 1aja h THR 174 N 0.00 1.44 -0.97 0.00 2.02 -0.73 0.47 112.91 115.14 1aja h THR 174 Ca -0.00 -1.32 0.13 0.00 0.77 0.00 0.00 66.41 65.98 1aja h THR 174 Cb 0.78 2.30 -0.08 0.00 -1.74 0.00 0.00 68.15 69.41 1aja h THR 174 CO 0.05 0.35 0.62 0.28 0.37 0.00 0.00 175.52 177.18 1aja h SER 175 N -0.50 0.86 0.15 4.18 0.02 -1.13 0.39 113.55 117.52 1aja h SER 175 Ca 0.00 0.05 -0.21 0.00 -0.84 0.00 0.00 61.79 60.79 1aja h SER 175 Cb 0.58 -0.12 0.02 0.00 0.14 0.00 0.00 62.40 63.02 1aja h SER 175 CO 0.01 0.45 -0.93 -0.08 -1.14 0.00 0.00 176.83 175.13 1aja h GLU 176 N 0.91 0.32 0.00 3.45 4.81 -1.54 -3.34 114.58 119.19 1aja h GLU 176 Ca 0.49 -0.54 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 1aja h GLU 176 Cb 0.55 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1aja h GLU 176 CO -0.25 1.26 -1.95 1.63 -0.73 0.00 0.00 179.01 178.97 1aja n LYS 177 N -4.07 0.79 -3.22 1.92 5.02 0.17 -4.60 118.16 114.16 1aja n LYS 177 Ca -0.15 -0.11 -0.25 0.00 -2.02 0.00 0.00 58.31 55.78 1aja n LYS 177 Cb 0.86 -1.43 -0.06 0.00 -0.02 0.00 0.00 35.03 34.37 1aja n LYS 177 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aja h PRO 179 N 3.71 0.39 0.00 0.00 0.11 -1.65 0.27 132.00 134.84 1aja h PRO 179 Ca 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1aja h PRO 179 Cb 0.75 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1aja h PRO 179 CO 0.66 0.26 0.00 0.78 -0.21 0.00 0.00 178.00 179.49 1aja h GLY 180 N 0.40 0.00 0.00 -0.55 0.00 -1.92 -0.98 103.07 100.02 1aja h GLY 180 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1aja h GLY 180 CO -0.40 0.00 -0.84 0.70 0.00 0.00 0.00 176.54 176.00 1aja n ASN 181 N -2.60 0.83 -4.75 0.19 4.13 -0.03 -3.68 115.26 109.35 1aja n ASN 181 Ca -0.01 -0.71 -0.41 0.00 1.68 0.00 0.00 54.58 55.12 1aja n ASN 181 Cb 0.10 1.11 -0.02 0.00 -1.54 0.00 0.00 39.78 39.43 1aja n ASN 181 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1aja s ALA 182 N -2.47 3.74 0.22 5.41 0.00 -0.37 -0.14 121.76 128.14 1aja s ALA 182 Ca 0.04 1.53 -0.07 0.00 0.00 0.00 0.00 51.96 53.46 1aja s ALA 182 Cb 0.11 -3.64 0.18 0.00 0.00 0.00 0.00 23.12 19.77 1aja s ALA 182 CO 0.60 -0.94 1.82 1.25 0.00 0.00 0.00 175.76 178.48 1aja h LEU 183 N 4.98 1.11 -1.75 0.00 5.85 -1.88 0.10 115.31 123.72 1aja h LEU 183 Ca -0.47 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.19 1aja h LEU 183 Cb 1.22 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 1aja h LEU 183 CO 0.80 0.93 0.30 -0.33 -0.34 0.00 0.00 178.44 179.80 1aja h GLU 184 N 1.21 0.29 -0.76 1.25 3.07 -1.88 -1.64 114.58 116.13 1aja h GLU 184 Ca 0.29 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 59.07 1aja h GLU 184 Cb 0.12 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 27.93 1aja h GLU 184 CO -0.04 0.19 0.07 1.63 -1.40 0.00 0.00 179.01 179.47 1aja n LYS 185 N -4.47 3.43 -0.69 2.33 5.02 0.19 -4.86 118.16 119.10 1aja n LYS 185 Ca 0.06 -2.18 0.00 0.00 -2.02 0.00 0.00 58.31 54.17 1aja n LYS 185 Cb 0.29 -2.00 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 1aja n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aja n GLY 186 N 0.26 1.36 3.40 0.72 0.00 -0.62 -4.90 105.19 105.42 1aja n GLY 186 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 1aja n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aja n GLY 187 N -2.00 -2.76 0.03 -0.02 0.00 -0.21 -4.96 105.19 95.27 1aja n GLY 187 Ca 0.00 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.65 1aja n GLY 187 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1aja n LYS 188 N -4.75 0.13 0.00 1.61 4.81 -0.98 -4.26 118.16 114.73 1aja n LYS 188 Ca 0.15 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1aja n LYS 188 Cb 0.57 -1.59 0.00 0.00 0.02 0.00 0.00 35.03 34.03 1aja n LYS 188 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aja n GLY 189 N 1.42 2.65 3.47 3.14 0.00 0.79 -4.63 105.19 112.04 1aja n GLY 189 Ca 0.05 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 1aja n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aja s SER 190 N 0.00 0.04 0.06 1.61 1.04 -1.26 -4.70 113.70 110.49 1aja s SER 190 Ca 0.00 0.72 -0.23 0.00 0.48 0.00 0.00 55.95 56.93 1aja s SER 190 Cb 0.00 -1.01 -0.14 0.00 0.10 0.00 0.00 66.02 64.97 1aja s SER 190 CO 0.00 -4.68 1.58 0.40 0.98 0.00 0.00 173.24 171.52 1aja h ILE 191 N -2.96 1.16 -0.59 -1.02 2.04 -0.78 -0.59 117.51 114.77 1aja h ILE 191 Ca -0.44 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 1aja h ILE 191 Cb 1.31 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 1aja h ILE 191 CO 0.31 0.13 0.20 0.74 0.00 0.00 0.00 178.15 179.54 1aja h THR 192 N -0.07 1.22 -0.11 -0.27 2.02 -1.46 -0.91 112.91 113.33 1aja h THR 192 Ca 0.02 -0.73 -0.12 0.00 0.77 0.00 0.00 66.41 66.36 1aja h THR 192 Cb 0.19 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1aja h THR 192 CO -0.00 0.28 -0.44 -0.33 0.37 0.00 0.00 175.52 175.40 1aja h GLU 193 N 0.85 0.26 -0.01 6.66 5.08 -1.73 -2.53 114.58 123.15 1aja h GLU 193 Ca 0.20 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 1aja h GLU 193 Cb 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1aja h GLU 193 CO -0.01 0.66 -0.68 1.96 -1.00 0.00 0.00 179.01 179.94 1aja h GLN 194 N 0.21 0.07 0.19 2.33 4.20 -0.52 -2.22 115.11 119.37 1aja h GLN 194 Ca 0.02 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.68 1aja h GLN 194 Cb 0.87 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.63 1aja h GLN 194 CO 0.07 0.72 -0.30 1.25 -0.67 0.00 0.00 178.83 179.90 1aja h LEU 195 N 0.05 -0.86 -0.81 1.46 7.12 -0.95 0.45 115.31 121.77 1aja h LEU 195 Ca -0.01 0.09 -0.03 0.00 0.13 0.00 0.00 57.88 58.06 1aja h LEU 195 Cb 1.20 0.31 -0.04 0.00 -0.53 0.00 0.00 40.66 41.61 1aja h LEU 195 CO 0.09 -0.41 0.40 -0.07 -0.13 0.00 0.00 178.44 178.32 1aja h LEU 196 N -0.57 1.05 -0.73 2.25 4.07 -1.25 -2.25 115.31 117.88 1aja h LEU 196 Ca 0.01 -0.13 -0.08 0.00 0.08 0.00 0.00 57.88 57.77 1aja h LEU 196 Cb 0.56 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 42.01 1aja h LEU 196 CO -0.14 0.89 0.11 0.78 -1.08 0.00 0.00 178.44 178.99 1aja h ASN 197 N 1.14 1.03 0.13 -0.43 2.35 -1.19 -3.08 115.58 115.54 1aja h ASN 197 Ca 0.28 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1aja h ASN 197 Cb 0.11 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 1aja h ASN 197 CO -0.04 1.02 -0.03 0.00 -1.65 0.00 0.00 177.43 176.74 1aja h ALA 198 N 1.10 1.27 -6.93 -0.83 0.00 -0.29 -3.47 119.26 110.11 1aja h ALA 198 Ca 0.20 -0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.49 1aja h ALA 198 Cb 0.43 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1aja h ALA 198 CO 0.01 0.03 -0.99 -2.13 0.00 0.00 0.00 179.25 176.17 1aja n ARG 199 N -3.51 -0.61 -1.81 0.00 0.63 -1.15 -4.94 116.66 105.26 1aja n ARG 199 Ca -0.03 0.11 -0.41 0.00 -0.92 0.00 0.00 57.85 56.60 1aja n ARG 199 Cb 0.12 -2.98 -0.00 0.00 0.45 0.00 0.00 32.46 30.05 1aja n ARG 199 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1aja s ALA 200 N -3.78 3.59 0.27 5.13 0.00 -1.26 -4.92 121.76 120.80 1aja s ALA 200 Ca 0.34 1.57 -0.04 0.00 0.00 0.00 0.00 51.96 53.82 1aja s ALA 200 Cb -0.18 -3.61 0.34 0.00 0.00 0.00 0.00 23.12 19.67 1aja s ALA 200 CO 0.97 -1.04 1.94 -0.44 0.00 0.00 0.00 175.76 177.20 1aja h ASP 201 N 3.26 1.07 -3.24 0.00 5.19 -1.73 -3.41 116.42 117.55 1aja h ASP 201 Ca -0.50 -0.03 -0.53 0.00 -0.62 0.00 0.00 57.03 55.35 1aja h ASP 201 Cb 1.24 -0.26 -0.37 0.00 0.18 0.00 0.00 39.33 40.11 1aja h ASP 201 CO 0.66 0.77 -0.80 -0.69 -3.12 0.00 0.00 179.24 176.06 1aja s VAL 202 N -6.04 1.01 -0.07 -1.35 1.01 -0.87 -0.86 120.40 113.24 1aja s VAL 202 Ca -0.12 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.48 1aja s VAL 202 Cb 0.18 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.46 1aja s VAL 202 CO 0.81 0.26 -0.15 -0.89 0.00 0.00 0.00 175.10 175.13 1aja s THR 203 N 1.70 1.34 -0.07 3.92 2.01 -0.33 -1.13 115.64 123.07 1aja s THR 203 Ca 0.03 -0.60 -0.04 0.00 0.31 0.00 0.00 61.69 61.39 1aja s THR 203 Cb -0.14 -1.20 0.03 0.00 0.01 0.00 0.00 72.50 71.21 1aja s THR 203 CO -0.08 0.40 0.17 -0.76 -0.69 0.00 0.00 174.62 173.66 1aja s LEU 204 N 0.56 0.88 0.00 4.42 1.43 -0.98 -0.61 118.68 124.38 1aja s LEU 204 Ca -0.15 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1aja s LEU 204 Cb -0.16 0.51 0.00 0.00 0.03 0.00 0.00 46.19 46.58 1aja s LEU 204 CO 0.05 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.12 1aja n GLY 205 N 3.78 -0.62 0.00 -3.19 0.00 -0.23 -1.79 105.19 103.14 1aja n GLY 205 Ca -0.21 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1aja n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aja n GLY 206 N 0.00 1.72 1.03 -0.02 0.00 -0.16 -1.10 105.19 106.66 1aja n GLY 206 Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1aja n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aja n GLY 207 N 5.00 1.08 0.26 -0.02 0.00 0.66 -1.28 105.19 110.88 1aja n GLY 207 Ca 0.00 -0.46 0.15 0.00 0.00 0.00 0.00 46.02 45.71 1aja n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aja h ALA 208 N 0.00 1.03 -0.10 4.61 0.00 -0.37 -3.32 119.26 121.11 1aja h ALA 208 Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1aja h ALA 208 Cb 0.55 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1aja h ALA 208 CO 0.00 0.10 -0.28 -0.22 0.00 0.00 0.00 179.25 178.84 1aja h LYS 209 N 0.00 -0.36 0.00 0.00 3.64 -1.64 -0.92 116.57 117.29 1aja h LYS 209 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1aja h LYS 209 Cb 0.54 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1aja h LYS 209 CO 0.01 -0.24 0.00 1.15 -2.27 0.00 0.00 179.45 178.10 1aja h THR 210 N -0.37 0.00 0.00 1.00 2.02 -1.84 -1.87 112.91 111.85 1aja h THR 210 Ca 0.09 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1aja h THR 210 Cb 0.51 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1aja h THR 210 CO -0.31 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.07 1aja n PHE 211 N -2.52 0.00 0.92 3.16 3.01 -0.35 -1.68 117.46 119.99 1aja n PHE 211 Ca 0.01 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.60 1aja n PHE 211 Cb 0.19 -0.44 0.49 0.00 -0.01 0.00 0.00 39.48 39.71 1aja n PHE 211 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1aja n ALA 212 N -1.44 2.59 -1.41 4.37 0.00 -0.70 -0.42 120.51 123.50 1aja n ALA 212 Ca 0.07 -0.15 -0.33 0.00 0.00 0.00 0.00 53.44 53.03 1aja n ALA 212 Cb 0.23 -1.39 0.07 0.00 0.00 0.00 0.00 19.45 18.36 1aja n ALA 212 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1aja s GLU 213 N -3.03 2.54 -0.05 0.00 2.12 -0.68 -4.69 118.70 114.92 1aja s GLU 213 Ca 0.12 1.40 0.05 0.00 0.36 0.00 0.00 54.97 56.90 1aja s GLU 213 Cb 0.17 -1.92 -0.02 0.00 0.26 0.00 0.00 34.13 32.63 1aja s GLU 213 CO 0.58 -1.46 -0.19 -0.08 -0.54 0.00 0.00 175.26 173.58 1aja s THR 214 N -2.41 2.68 0.48 -1.70 -1.32 -1.26 -0.15 115.64 111.96 1aja s THR 214 Ca 0.67 -0.86 -0.23 0.00 -1.21 0.00 0.00 61.69 60.05 1aja s THR 214 Cb -0.21 -2.02 -0.07 0.00 -1.51 0.00 0.00 72.50 68.69 1aja s THR 214 CO 0.45 0.58 1.31 0.00 -2.21 0.00 0.00 174.62 174.76 1aja s ALA 215 N -0.59 3.01 -2.12 11.08 0.00 -0.00 -4.80 121.76 128.34 1aja s ALA 215 Ca 0.09 1.24 0.19 0.00 0.00 0.00 0.00 51.96 53.48 1aja s ALA 215 Cb -0.11 -3.51 0.08 0.00 0.00 0.00 0.00 23.12 19.58 1aja s ALA 215 CO 0.01 -1.07 1.04 0.25 0.00 0.00 0.00 175.76 175.99 1aja n THR 216 N -0.53 0.00 -3.39 0.00 -2.24 -1.26 -0.95 114.28 105.90 1aja n THR 216 Ca 0.07 -0.42 -0.02 0.00 -2.27 0.00 0.00 64.05 61.42 1aja n THR 216 Cb 0.45 1.33 0.01 0.00 -2.10 0.00 0.00 70.33 70.01 1aja n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aja n ALA 217 N 0.59 -0.66 0.00 6.98 0.00 -1.26 -4.82 120.51 121.34 1aja n ALA 217 Ca 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1aja n ALA 217 Cb 0.45 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.14 1aja n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aja n GLY 218 N -0.19 -1.65 0.00 0.00 0.00 -1.26 -3.27 105.19 98.83 1aja n GLY 218 Ca -0.02 -1.55 0.04 0.00 0.00 0.00 0.00 46.02 44.50 1aja n GLY 218 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1aja n GLU 219 N -1.94 0.14 -0.14 1.61 0.28 -1.26 -1.95 120.64 117.38 1aja n GLU 219 Ca 0.00 0.18 0.09 0.00 -0.16 0.00 0.00 57.16 57.28 1aja n GLU 219 Cb 0.00 -1.50 0.16 0.00 1.43 0.00 0.00 31.44 31.53 1aja n GLU 219 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 1aja n TRP 220 N -1.25 0.18 -1.59 -1.84 8.01 -1.26 -5.05 117.44 114.63 1aja n TRP 220 Ca 0.04 -0.96 -0.40 0.00 -1.31 0.00 0.00 57.50 54.88 1aja n TRP 220 Cb 0.06 -0.18 0.03 0.00 -2.01 0.00 0.00 31.31 29.21 1aja n TRP 220 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 1aja n GLN 221 N -1.23 1.09 0.00 -0.99 7.27 -0.82 -1.59 117.38 121.10 1aja n GLN 221 Ca 0.16 0.40 0.00 0.00 0.07 0.00 0.00 57.00 57.64 1aja n GLN 221 Cb 0.67 -2.04 0.00 0.00 2.41 0.00 0.00 30.24 31.28 1aja n GLN 221 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1aja n GLY 222 N 1.30 2.20 3.81 1.69 0.00 -0.13 -4.87 105.19 109.18 1aja n GLY 222 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1aja n GLY 222 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aja s LYS 223 N 0.00 3.91 0.64 1.61 3.01 -0.62 -4.69 119.74 123.59 1aja s LYS 223 Ca 0.00 1.24 -0.11 0.00 -1.01 0.00 0.00 55.97 56.09 1aja s LYS 223 Cb 0.00 -2.12 -0.02 0.00 -1.01 0.00 0.00 37.83 34.68 1aja s LYS 223 CO 0.00 -0.33 1.04 0.95 0.51 0.00 0.00 175.35 177.52 1aja s THR 224 N -2.13 4.41 0.45 2.17 -4.23 -1.26 -0.82 115.64 114.23 1aja s THR 224 Ca 0.65 0.81 0.16 0.00 -1.18 0.00 0.00 61.69 62.13 1aja s THR 224 Cb -0.14 -3.67 0.20 0.00 1.34 0.00 0.00 72.50 70.24 1aja s THR 224 CO 0.20 -0.99 2.01 -0.07 -0.54 0.00 0.00 174.62 175.23 1aja h LEU 225 N -0.38 0.00 -0.21 4.79 4.07 -0.29 0.11 115.31 123.41 1aja h LEU 225 Ca -0.44 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.50 1aja h LEU 225 Cb 1.20 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 1aja h LEU 225 CO 0.60 0.17 0.05 -0.09 -1.08 0.00 0.00 178.44 178.09 1aja h ARG 226 N 0.00 0.34 -0.81 1.13 2.43 -1.01 -1.10 114.38 115.37 1aja h ARG 226 Ca -0.00 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1aja h ARG 226 Cb 0.31 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 1aja h ARG 226 CO 0.02 0.46 0.36 0.93 -1.51 0.00 0.00 179.97 180.24 1aja h GLU 227 N 0.16 1.18 -0.65 0.20 5.08 -1.19 -1.45 114.58 117.92 1aja h GLU 227 Ca 0.07 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1aja h GLU 227 Cb 0.27 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1aja h GLU 227 CO 0.00 0.93 0.35 0.37 -1.00 0.00 0.00 179.01 179.66 1aja h GLN 228 N 1.16 0.91 -0.19 2.33 4.15 -0.80 0.17 115.11 122.84 1aja h GLN 228 Ca 0.28 -0.11 0.03 0.00 0.77 0.00 0.00 58.65 59.61 1aja h GLN 228 Cb 0.16 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 1aja h GLN 228 CO -0.03 0.69 0.03 0.00 -1.93 0.00 0.00 178.83 177.59 1aja h ALA 229 N 1.17 0.19 -0.58 3.38 0.00 -0.16 0.38 119.26 123.64 1aja h ALA 229 Ca 0.23 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1aja h ALA 229 Cb 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1aja h ALA 229 CO -0.04 -0.40 -0.02 0.93 0.00 0.00 0.00 179.25 179.72 1aja h GLU 230 N 0.10 1.04 -0.44 0.00 5.08 -1.31 -0.65 114.58 118.41 1aja h GLU 230 Ca 0.09 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1aja h GLU 230 Cb 0.09 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1aja h GLU 230 CO -0.12 1.03 0.16 0.00 -1.00 0.00 0.00 179.01 179.08 1aja h ALA 231 N 0.97 1.47 -0.01 3.43 0.00 -0.09 -1.77 119.26 123.26 1aja h ALA 231 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1aja h ALA 231 Cb 0.58 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1aja h ALA 231 CO 0.03 0.40 -0.06 0.54 0.00 0.00 0.00 179.25 180.17 1aja n ARG 232 N -4.36 1.06 0.00 0.00 1.74 0.13 -4.91 116.66 110.32 1aja n ARG 232 Ca 0.03 -0.41 0.00 0.00 -0.77 0.00 0.00 57.85 56.70 1aja n ARG 232 Cb 0.16 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1aja n ARG 232 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aja n GLY 233 N 1.18 1.10 3.76 -0.13 0.00 -0.67 -5.02 105.19 105.42 1aja n GLY 233 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1aja n GLY 233 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aja s TYR 234 N -2.00 3.53 -0.38 1.61 1.51 -0.32 -4.04 117.35 117.26 1aja s TYR 234 Ca 0.00 1.71 -0.14 0.00 -1.01 0.00 0.00 57.07 57.62 1aja s TYR 234 Cb 0.00 -3.20 0.00 0.00 -0.11 0.00 0.00 41.96 38.65 1aja s TYR 234 CO 0.00 -0.46 0.29 1.14 -1.11 0.00 0.00 175.55 175.41 1aja s GLN 235 N -1.75 3.25 0.23 -0.62 -2.07 0.03 -4.48 119.66 114.25 1aja s GLN 235 Ca 0.48 -0.78 -0.14 0.00 -1.82 0.00 0.00 55.36 53.09 1aja s GLN 235 Cb -0.28 -3.89 -0.08 0.00 -1.09 0.00 0.00 33.01 27.67 1aja s GLN 235 CO 0.36 -0.61 0.63 -0.51 -1.32 0.00 0.00 175.29 173.84 1aja s LEU 236 N 1.77 4.23 -0.06 2.60 1.02 -1.26 -0.82 118.68 126.16 1aja s LEU 236 Ca 0.07 1.16 -0.04 0.00 0.02 0.00 0.00 54.13 55.33 1aja s LEU 236 Cb -0.18 -3.64 0.03 0.00 0.02 0.00 0.00 46.19 42.42 1aja s LEU 236 CO 0.11 -0.03 0.16 -0.69 0.02 0.00 0.00 176.35 175.91 1aja s VAL 237 N -1.70 -0.03 -0.02 -1.59 1.01 -0.92 -4.95 120.40 112.21 1aja s VAL 237 Ca 0.45 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1aja s VAL 237 Cb -0.13 -0.24 0.05 0.00 0.00 0.00 0.00 36.38 36.06 1aja s VAL 237 CO 0.20 0.04 0.89 -1.54 0.00 0.00 0.00 175.10 174.68 1aja n SER 238 N 3.64 1.29 -2.99 3.32 3.41 -1.26 -1.31 113.62 119.72 1aja n SER 238 Ca -0.20 -1.90 -0.12 0.00 -0.26 0.00 0.00 58.87 56.39 1aja n SER 238 Cb 0.55 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 1aja n SER 238 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1aja s ASP 239 N -1.04 0.55 0.34 4.04 1.47 -1.26 -4.60 116.67 116.17 1aja s ASP 239 Ca 0.05 -1.37 0.09 0.00 1.18 0.00 0.00 52.55 52.50 1aja s ASP 239 Cb 0.05 0.77 0.60 0.00 -0.34 0.00 0.00 42.92 44.00 1aja s ASP 239 CO 0.01 -1.53 1.78 0.00 0.68 0.00 0.00 175.17 176.11 1aja h ALA 240 N 2.04 1.28 0.52 2.11 0.00 -0.39 -1.96 119.26 122.85 1aja h ALA 240 Ca -0.31 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 1aja h ALA 240 Cb 1.24 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1aja h ALA 240 CO 0.40 0.50 -0.25 0.00 0.00 0.00 0.00 179.25 179.91 1aja h ALA 241 N 1.51 -0.70 -1.00 0.00 0.00 -1.89 -2.02 119.26 115.16 1aja h ALA 241 Ca 0.02 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.81 1aja h ALA 241 Cb 0.67 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1aja h ALA 241 CO 0.05 -0.74 0.64 0.66 0.00 0.00 0.00 179.25 179.86 1aja h SER 242 N -1.00 1.01 -0.36 0.00 4.64 -1.94 0.08 113.55 115.99 1aja h SER 242 Ca -0.07 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 1aja h SER 242 Cb 0.62 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1aja h SER 242 CO 0.12 0.63 0.10 0.25 -0.87 0.00 0.00 176.83 177.05 1aja h LEU 243 N 1.14 0.60 -0.58 5.97 5.85 -1.32 -2.67 115.31 124.30 1aja h LEU 243 Ca 0.45 -0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.92 1aja h LEU 243 Cb 0.24 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1aja h LEU 243 CO -0.19 0.61 -0.71 0.78 -0.34 0.00 0.00 178.44 178.59 1aja h ASN 244 N 0.63 0.02 1.00 1.25 2.35 -0.23 -3.04 115.58 117.57 1aja h ASN 244 Ca 0.14 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1aja h ASN 244 Cb 0.25 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1aja h ASN 244 CO -0.00 0.72 0.00 -1.54 -1.65 0.00 0.00 177.43 174.96 1aja n SER 245 N -3.71 0.45 -4.63 5.81 3.41 -0.80 -4.84 113.62 109.32 1aja n SER 245 Ca -0.01 0.57 -0.43 0.00 -0.26 0.00 0.00 58.87 58.74 1aja n SER 245 Cb 0.69 -0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 1aja n SER 245 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1aja s VAL 246 N -3.12 3.32 -0.06 -3.33 1.01 -1.15 -4.90 120.40 112.17 1aja s VAL 246 Ca 0.09 0.35 0.13 0.00 0.00 0.00 0.00 61.98 62.56 1aja s VAL 246 Cb 0.13 -3.33 -0.22 0.00 0.00 0.00 0.00 36.38 32.95 1aja s VAL 246 CO 0.47 -0.15 0.66 0.35 0.00 0.00 0.00 175.10 176.43 1aja n THR 247 N 6.70 1.55 -3.83 3.92 -2.24 -1.26 -4.96 114.28 114.16 1aja n THR 247 Ca 0.23 -0.78 -0.11 0.00 -2.27 0.00 0.00 64.05 61.11 1aja n THR 247 Cb 0.44 -0.98 -0.09 0.00 -2.10 0.00 0.00 70.33 67.61 1aja n THR 247 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1aja s GLU 248 N -2.64 0.64 -0.22 -0.78 1.03 -1.26 -4.98 118.70 110.50 1aja s GLU 248 Ca -0.05 -0.48 -0.11 0.00 0.03 0.00 0.00 54.97 54.37 1aja s GLU 248 Cb 0.08 0.27 0.07 0.00 -0.80 0.00 0.00 34.13 33.76 1aja s GLU 248 CO 0.82 -0.18 0.52 0.00 -1.33 0.00 0.00 175.26 175.09 1aja s ALA 249 N -2.02 -1.40 0.05 -0.84 0.00 -1.26 -4.95 121.76 111.34 1aja s ALA 249 Ca -0.09 1.88 -0.04 0.00 0.00 0.00 0.00 51.96 53.70 1aja s ALA 249 Cb -0.04 -1.20 0.02 0.00 0.00 0.00 0.00 23.12 21.90 1aja s ALA 249 CO -0.01 -0.40 0.21 0.27 0.00 0.00 0.00 175.76 175.83 1aja n ASN 250 N 4.49 -0.41 0.26 0.00 0.23 -0.90 -4.84 115.26 114.09 1aja n ASN 250 Ca -0.20 -1.24 0.09 0.00 -0.53 0.00 0.00 54.58 52.71 1aja n ASN 250 Cb 0.55 0.67 0.68 0.00 -2.08 0.00 0.00 39.78 39.61 1aja n ASN 250 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1aja h GLN 251 N 0.00 0.00 0.03 -3.83 1.08 -1.92 0.85 115.11 111.31 1aja h GLN 251 Ca -0.06 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.91 1aja h GLN 251 Cb 0.26 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 1aja h GLN 251 CO 0.08 0.00 -1.05 1.96 -0.95 0.00 0.00 178.83 178.87 1aja h GLN 252 N 0.00 0.05 -2.11 1.46 7.50 -1.96 -3.39 115.11 116.66 1aja h GLN 252 Ca 0.01 -0.09 -0.58 0.00 0.50 0.00 0.00 58.65 58.49 1aja h GLN 252 Cb 0.03 0.03 -0.40 0.00 0.05 0.00 0.00 27.48 27.19 1aja h GLN 252 CO -0.00 1.04 -0.87 1.63 -1.50 0.00 0.00 178.83 179.13 1aja n LYS 253 N -3.38 1.52 -1.69 1.46 5.02 0.12 -4.90 118.16 116.31 1aja n LYS 253 Ca -0.02 -3.88 -0.44 0.00 -2.02 0.00 0.00 58.31 51.95 1aja n LYS 253 Cb 0.96 -1.70 -0.04 0.00 -0.02 0.00 0.00 35.03 34.23 1aja n LYS 253 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1aja n PRO 254 N 1.20 2.50 -3.09 1.97 -0.04 -0.18 -2.11 135.00 135.25 1aja n PRO 254 Ca 0.25 0.91 -0.39 0.00 -0.04 0.00 0.00 63.50 64.23 1aja n PRO 254 Cb 0.47 -2.74 -0.05 0.00 -0.04 0.00 0.00 33.50 31.13 1aja n PRO 254 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1aja s LEU 255 N 1.96 4.47 -0.18 1.53 2.96 -0.04 -0.79 118.68 128.59 1aja s LEU 255 Ca 0.81 1.36 -0.03 0.00 -0.22 0.00 0.00 54.13 56.04 1aja s LEU 255 Cb -0.58 -3.10 0.06 0.00 0.50 0.00 0.00 46.19 43.07 1aja s LEU 255 CO 0.38 0.10 0.04 -0.22 -1.32 0.00 0.00 176.35 175.33 1aja s LEU 256 N -0.37 1.08 -0.24 -0.68 2.96 0.00 -1.19 118.68 120.24 1aja s LEU 256 Ca 0.34 -0.76 -0.07 0.00 -0.22 0.00 0.00 54.13 53.43 1aja s LEU 256 Cb -0.20 -0.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.91 1aja s LEU 256 CO 0.21 -0.30 0.05 -0.83 -1.32 0.00 0.00 176.35 174.16 1aja s GLY 257 N 1.89 1.74 -0.30 7.98 0.00 0.22 -2.15 107.32 116.70 1aja s GLY 257 Ca -0.00 -1.12 0.02 0.00 0.00 0.00 0.00 44.72 43.62 1aja s GLY 257 CO -0.08 0.49 -0.03 1.08 0.00 0.00 0.00 173.10 174.57 1aja s LEU 258 N 1.53 4.02 0.00 0.66 1.43 -0.43 -1.07 118.68 124.82 1aja s LEU 258 Ca 0.06 -1.64 0.15 0.00 -1.03 0.00 0.00 54.13 51.67 1aja s LEU 258 Cb -0.15 -1.62 -0.06 0.00 0.03 0.00 0.00 46.19 44.39 1aja s LEU 258 CO 0.03 -0.28 0.75 0.49 0.23 0.00 0.00 176.35 177.57 1aja n PHE 259 N 4.42 0.00 -3.77 0.29 3.72 -0.26 -4.31 117.46 117.56 1aja n PHE 259 Ca -0.08 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.19 1aja n PHE 259 Cb 0.42 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.87 1aja n PHE 259 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1aja s ALA 260 N -2.06 -0.77 0.05 4.37 0.00 -1.26 -4.94 121.76 117.17 1aja s ALA 260 Ca 0.10 0.35 -0.21 0.00 0.00 0.00 0.00 51.96 52.20 1aja s ALA 260 Cb 0.12 0.03 -0.13 0.00 0.00 0.00 0.00 23.12 23.14 1aja s ALA 260 CO 0.47 -0.25 1.43 -0.44 0.00 0.00 0.00 175.76 176.98 1aja h ASP 261 N 4.02 0.31 0.00 0.00 3.32 -1.93 0.34 116.42 122.47 1aja h ASP 261 Ca -0.29 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.38 1aja h ASP 261 Cb 1.18 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1aja h ASP 261 CO 0.39 0.62 0.00 0.61 -1.72 0.00 0.00 179.24 179.14 1aja n GLY 262 N -0.11 0.81 3.83 2.75 0.00 -1.26 -1.83 105.19 109.39 1aja n GLY 262 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1aja n GLY 262 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1aja s ASN 263 N -0.38 6.93 0.87 1.61 0.01 -1.26 -0.25 114.94 122.48 1aja s ASN 263 Ca 0.00 1.49 -0.11 0.00 -0.71 0.00 0.00 52.86 53.52 1aja s ASN 263 Cb 0.00 -2.45 0.11 0.00 0.41 0.00 0.00 41.25 39.32 1aja s ASN 263 CO 0.00 -0.19 1.09 -0.04 -1.51 0.00 0.00 177.10 176.45 1aja s MET 264 N -2.76 1.45 0.47 -0.60 -1.94 -0.10 -4.84 119.30 110.97 1aja s MET 264 Ca 0.54 1.01 -0.22 0.00 -1.71 0.00 0.00 55.69 55.31 1aja s MET 264 Cb -0.12 -1.82 -0.07 0.00 2.01 0.00 0.00 34.83 34.83 1aja s MET 264 CO 0.17 -2.16 1.13 -2.14 -0.01 0.00 0.00 175.02 172.01 1aja s PRO 265 N -4.87 3.75 0.06 2.03 0.02 -1.26 -4.82 135.00 129.90 1aja s PRO 265 Ca 0.63 1.66 -0.30 0.00 0.02 0.00 0.00 61.00 63.01 1aja s PRO 265 Cb -0.19 -2.32 -0.05 0.00 0.02 0.00 0.00 34.50 31.96 1aja s PRO 265 CO 0.57 -0.53 1.07 0.14 -0.33 0.00 0.00 177.00 177.92 1aja s VAL 266 N -1.65 4.42 0.18 3.83 -7.23 -1.23 -4.98 120.40 113.75 1aja s VAL 266 Ca 0.65 1.81 -0.13 0.00 -1.81 0.00 0.00 61.98 62.49 1aja s VAL 266 Cb -0.25 -4.16 0.09 0.00 0.56 0.00 0.00 36.38 32.62 1aja s VAL 266 CO 0.31 0.18 1.74 -0.09 -0.31 0.00 0.00 175.10 176.93 1aja h ARG 267 N 6.45 0.32 -6.20 4.82 2.43 -1.88 -3.41 114.38 116.92 1aja h ARG 267 Ca -0.42 -0.02 -0.56 0.00 -0.81 0.00 0.00 59.98 58.17 1aja h ARG 267 Cb 1.22 -0.07 -0.21 0.00 -0.42 0.00 0.00 29.97 30.48 1aja h ARG 267 CO 0.76 0.21 -0.82 -1.58 -1.51 0.00 0.00 179.97 177.03 1aja s TRP 268 N -6.13 1.84 0.15 2.20 0.51 -1.26 -0.91 118.94 115.33 1aja s TRP 268 Ca -0.13 -0.42 0.10 0.00 -2.12 0.00 0.00 56.10 53.53 1aja s TRP 268 Cb 0.15 -0.99 -0.04 0.00 -0.81 0.00 0.00 33.47 31.77 1aja s TRP 268 CO 0.73 0.24 -0.23 -0.51 -0.51 0.00 0.00 176.95 176.67 1aja s LEU 269 N -2.03 2.37 0.24 2.99 1.43 0.79 -3.35 118.68 121.13 1aja s LEU 269 Ca 0.08 -0.79 -0.22 0.00 -1.03 0.00 0.00 54.13 52.17 1aja s LEU 269 Cb -0.09 -1.04 0.03 0.00 0.03 0.00 0.00 46.19 45.12 1aja s LEU 269 CO 0.05 0.09 0.72 -0.83 0.23 0.00 0.00 176.35 176.60 1aja s GLY 270 N -2.33 -0.20 0.85 -3.19 0.00 -1.26 -1.42 107.32 99.77 1aja s GLY 270 Ca 0.14 -0.11 -0.11 0.00 0.00 0.00 0.00 44.72 44.65 1aja s GLY 270 CO 0.07 -0.03 1.11 -4.14 0.00 0.00 0.00 173.10 170.10 1aja s PRO 271 N -3.83 1.56 0.52 2.90 0.02 -1.26 -4.96 135.00 129.95 1aja s PRO 271 Ca 0.09 1.24 -0.19 0.00 0.02 0.00 0.00 61.00 62.16 1aja s PRO 271 Cb -0.05 -1.81 -0.07 0.00 0.02 0.00 0.00 34.50 32.59 1aja s PRO 271 CO 0.03 -2.15 1.05 0.21 -0.33 0.00 0.00 177.00 175.81 1aja s LYS 272 N -4.80 3.64 0.52 5.54 2.20 -1.26 -4.55 119.74 121.03 1aja s LYS 272 Ca 0.64 1.36 -0.21 0.00 -0.36 0.00 0.00 55.97 57.40 1aja s LYS 272 Cb -0.19 -2.07 -0.06 0.00 -1.51 0.00 0.00 37.83 34.00 1aja s LYS 272 CO 0.57 -0.57 1.18 0.00 -0.36 0.00 0.00 175.35 176.18 1aja s ALA 273 N -2.05 2.79 0.31 3.13 0.00 0.16 -4.99 121.76 121.11 1aja s ALA 273 Ca 0.67 0.96 0.03 0.00 0.00 0.00 0.00 51.96 53.62 1aja s ALA 273 Cb -0.17 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 1aja s ALA 273 CO 0.24 -0.86 0.09 0.95 0.00 0.00 0.00 175.76 176.18 1aja s THR 274 N -1.60 0.83 0.00 0.00 -4.23 -0.61 -4.72 115.64 105.32 1aja s THR 274 Ca 0.70 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.91 1aja s THR 274 Cb -0.29 -2.67 -0.07 0.00 1.34 0.00 0.00 72.50 70.82 1aja s THR 274 CO 0.33 0.00 1.63 -0.47 -0.54 0.00 0.00 174.62 175.58 1aja s TYR 275 N -3.48 2.21 -1.89 3.99 5.04 -1.26 -0.45 117.35 121.51 1aja s TYR 275 Ca 0.36 0.29 0.00 0.00 -2.44 0.00 0.00 57.07 55.27 1aja s TYR 275 Cb 0.08 -3.91 0.00 0.00 0.35 0.00 0.00 41.96 38.47 1aja s TYR 275 CO 0.15 -3.75 0.00 0.72 -1.34 0.00 0.00 175.55 171.32 1aja n HIS 276 N 6.38 -0.67 0.33 4.97 8.25 -1.21 -4.89 115.22 128.39 1aja n HIS 276 Ca 0.16 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.74 1aja n HIS 276 Cb 0.42 -3.77 0.52 0.00 1.12 0.00 0.00 29.99 28.27 1aja n HIS 276 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aja n GLY 277 N -0.84 -1.17 0.09 -1.41 0.00 -0.99 -0.99 105.19 99.88 1aja n GLY 277 Ca -0.23 0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 1aja n GLY 277 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1aja h ASN 278 N 0.00 0.00 0.00 1.61 -1.07 -1.83 -2.47 115.58 111.83 1aja h ASN 278 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 56.30 56.19 1aja h ASN 278 Cb 0.27 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.49 1aja h ASN 278 CO 0.00 0.80 -0.99 0.40 0.07 0.00 0.00 177.43 177.71 1aja h ILE 279 N 0.00 1.01 -0.11 6.14 2.04 -1.51 -3.39 117.51 121.68 1aja h ILE 279 Ca -0.08 -2.13 0.00 0.00 1.00 0.00 0.00 64.86 63.64 1aja h ILE 279 Cb 1.68 2.28 0.00 0.00 -0.74 0.00 0.00 36.82 40.04 1aja h ILE 279 CO 0.09 0.34 0.00 0.47 0.00 0.00 0.00 178.15 179.05 1aja n ASP 280 N -4.48 1.47 -4.04 1.72 8.00 -0.16 -4.94 116.55 114.12 1aja n ASP 280 Ca -0.27 -1.62 -0.10 0.00 0.71 0.00 0.00 54.79 53.52 1aja n ASP 280 Cb 0.62 -0.07 -0.11 0.00 -0.02 0.00 0.00 41.12 41.54 1aja n ASP 280 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1aja s LYS 281 N -1.86 0.48 0.96 -1.24 -0.14 -0.93 -4.99 119.74 112.02 1aja s LYS 281 Ca 0.34 -0.84 -0.13 0.00 -1.36 0.00 0.00 55.97 53.98 1aja s LYS 281 Cb 0.18 -0.02 0.05 0.00 -1.68 0.00 0.00 37.83 36.37 1aja s LYS 281 CO 0.28 -0.03 0.46 -2.30 -0.76 0.00 0.00 175.35 173.00 1aja n PRO 282 N 1.11 -0.41 -2.47 -1.68 -0.02 -1.26 -4.65 135.00 125.61 1aja n PRO 282 Ca -0.21 -0.08 -0.41 0.00 -2.02 0.00 0.00 63.50 60.79 1aja n PRO 282 Cb 0.57 -1.90 -0.04 0.00 -0.02 0.00 0.00 33.50 32.10 1aja n PRO 282 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aja s ALA 283 N -2.41 3.40 0.13 3.55 0.00 -1.26 -4.61 121.76 120.55 1aja s ALA 283 Ca 0.58 0.89 -0.10 0.00 0.00 0.00 0.00 51.96 53.32 1aja s ALA 283 Cb -0.21 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 1aja s ALA 283 CO 0.66 -0.20 0.46 0.08 0.00 0.00 0.00 175.76 176.77 1aja s VAL 284 N -0.85 5.02 -0.07 0.00 1.01 0.58 -4.73 120.40 121.36 1aja s VAL 284 Ca 0.46 0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.97 1aja s VAL 284 Cb -0.32 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1aja s VAL 284 CO 0.39 0.19 -0.15 -0.89 0.00 0.00 0.00 175.10 174.64 1aja s THR 285 N -1.51 2.97 0.23 3.92 2.01 -1.26 -0.30 115.64 121.70 1aja s THR 285 Ca 0.37 -0.74 -0.24 0.00 0.31 0.00 0.00 61.69 61.40 1aja s THR 285 Cb -0.14 -2.18 -0.09 0.00 0.01 0.00 0.00 72.50 70.11 1aja s THR 285 CO 0.20 0.57 0.81 0.00 -0.69 0.00 0.00 174.62 175.50 1aja s THR 287 N -1.41 5.37 0.38 0.00 2.01 -0.51 -4.92 115.64 116.57 1aja s THR 287 Ca 0.42 0.33 -0.27 0.00 0.31 0.00 0.00 61.69 62.48 1aja s THR 287 Cb -0.20 -3.53 -0.11 0.00 0.01 0.00 0.00 72.50 68.67 1aja s THR 287 CO 0.24 0.43 1.38 -2.65 -0.69 0.00 0.00 174.62 173.33 1aja n PRO 288 N 3.46 2.33 -2.35 4.92 -0.02 -1.26 -0.15 135.00 141.93 1aja n PRO 288 Ca -0.15 0.82 -0.43 0.00 -2.02 0.00 0.00 63.50 61.72 1aja n PRO 288 Cb 0.52 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 1aja n PRO 288 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1aja s ASN 289 N -0.29 6.57 0.31 2.55 2.47 -0.09 -4.75 114.94 121.70 1aja s ASN 289 Ca 0.56 1.25 0.02 0.00 0.42 0.00 0.00 52.86 55.11 1aja s ASN 289 Cb -0.51 -2.54 0.58 0.00 -1.45 0.00 0.00 41.25 37.33 1aja s ASN 289 CO 0.62 -1.16 1.89 -0.65 -3.72 0.00 0.00 177.10 174.08 1aja h PRO 290 N 9.76 0.94 -1.57 0.43 0.11 -1.91 -2.80 132.00 136.96 1aja h PRO 290 Ca -0.28 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 65.59 1aja h PRO 290 Cb 1.11 -0.21 -0.08 0.00 0.11 0.00 0.00 31.00 31.92 1aja h PRO 290 CO 1.03 0.62 0.24 1.04 -0.21 0.00 0.00 178.00 180.72 1aja n GLN 291 N -4.52 1.45 -0.01 1.05 6.02 -1.26 -4.09 117.38 116.02 1aja n GLN 291 Ca 0.15 -0.91 -0.16 0.00 -0.01 0.00 0.00 57.00 56.07 1aja n GLN 291 Cb 0.27 -1.36 -0.14 0.00 1.02 0.00 0.00 30.24 30.03 1aja n GLN 291 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1aja n ARG 292 N 0.65 0.70 0.00 -1.09 1.85 -1.06 -4.90 116.66 112.82 1aja n ARG 292 Ca 0.18 0.28 0.00 0.00 -1.00 0.00 0.00 57.85 57.30 1aja n ARG 292 Cb 0.61 -1.74 0.00 0.00 -1.05 0.00 0.00 32.46 30.27 1aja n ARG 292 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1aja n ASN 293 N -3.29 -0.62 0.00 2.89 3.02 -1.26 -4.33 115.26 111.67 1aja n ASN 293 Ca -0.25 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.45 1aja n ASN 293 Cb 1.05 0.98 0.88 0.00 -0.61 0.00 0.00 39.78 42.08 1aja n ASN 293 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1aja n ASP 294 N -1.16 0.00 0.04 6.41 9.92 -1.26 -2.66 116.55 127.84 1aja n ASP 294 Ca 0.00 -0.69 -0.00 0.00 -0.53 0.00 0.00 54.79 53.57 1aja n ASP 294 Cb 0.00 -0.10 -0.08 0.00 -0.64 0.00 0.00 41.12 40.30 1aja n ASP 294 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1aja h SER 295 N 0.00 0.00 -3.81 -2.24 4.64 -2.00 -3.45 113.55 106.69 1aja h SER 295 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 1aja h SER 295 Cb 0.10 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.02 1aja h SER 295 CO 0.00 0.59 -0.45 -0.69 -0.87 0.00 0.00 176.83 175.40 1aja s VAL 296 N -2.92 5.27 0.87 0.95 1.01 -1.09 0.37 120.40 124.87 1aja s VAL 296 Ca -0.03 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 1aja s VAL 296 Cb 0.09 -3.63 0.12 0.00 0.00 0.00 0.00 36.38 32.95 1aja s VAL 296 CO 0.81 0.13 1.16 -2.16 0.00 0.00 0.00 175.10 175.04 1aja s PRO 297 N 1.81 1.32 0.43 2.72 0.04 -1.26 -4.82 135.00 135.24 1aja s PRO 297 Ca 0.08 1.58 0.05 0.00 0.04 0.00 0.00 61.00 62.75 1aja s PRO 297 Cb -0.16 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.63 1aja s PRO 297 CO 0.11 -2.41 0.61 0.95 0.04 0.00 0.00 177.00 176.29 1aja s THR 298 N -2.53 3.26 0.21 1.26 -4.23 -1.26 -4.90 115.64 107.46 1aja s THR 298 Ca 0.68 -0.87 -0.09 0.00 -1.18 0.00 0.00 61.69 60.23 1aja s THR 298 Cb -0.24 -3.14 0.16 0.00 1.34 0.00 0.00 72.50 70.62 1aja s THR 298 CO 0.55 -0.07 1.86 0.25 -0.54 0.00 0.00 174.62 176.68 1aja h LEU 299 N 0.54 0.81 -1.00 4.79 5.85 -1.96 0.65 115.31 124.99 1aja h LEU 299 Ca -0.42 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 1aja h LEU 299 Cb 1.28 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 1aja h LEU 299 CO 0.50 0.56 0.55 0.00 -0.34 0.00 0.00 178.44 179.71 1aja h ALA 300 N 1.31 1.25 -0.22 1.25 0.00 -1.87 -0.09 119.26 120.89 1aja h ALA 300 Ca 0.29 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1aja h ALA 300 Cb -0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1aja h ALA 300 CO -0.10 0.64 -0.01 1.96 0.00 0.00 0.00 179.25 181.74 1aja h GLN 301 N 1.26 0.40 -0.36 0.00 4.20 -1.71 -0.24 115.11 118.65 1aja h GLN 301 Ca 0.33 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1aja h GLN 301 Cb -0.05 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1aja h GLN 301 CO -0.06 0.60 0.24 0.52 -0.67 0.00 0.00 178.83 179.46 1aja h MET 302 N 0.15 0.48 -0.42 1.46 2.86 -0.63 -0.72 114.93 118.11 1aja h MET 302 Ca 0.06 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.73 1aja h MET 302 Cb 0.43 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 1aja h MET 302 CO 0.01 0.32 0.13 1.15 1.06 0.00 0.00 176.91 179.58 1aja h THR 303 N 0.49 0.84 -0.39 2.22 2.02 -0.90 0.35 112.91 117.53 1aja h THR 303 Ca 0.13 -0.10 -0.12 0.00 0.77 0.00 0.00 66.41 67.09 1aja h THR 303 Cb -0.06 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1aja h THR 303 CO -0.03 0.05 -0.24 -0.78 0.37 0.00 0.00 175.52 174.89 1aja h ASP 304 N 0.29 0.82 0.14 4.18 3.58 -0.43 -0.08 116.42 124.91 1aja h ASP 304 Ca 0.20 -0.31 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 1aja h ASP 304 Cb 0.21 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.03 1aja h ASP 304 CO -0.22 1.03 -0.07 0.50 -2.88 0.00 0.00 179.24 177.60 1aja h LYS 305 N 0.69 -0.18 -0.54 0.28 3.11 -0.85 -0.50 116.57 118.58 1aja h LYS 305 Ca 0.09 0.01 0.08 0.00 -2.81 0.00 0.00 60.65 58.02 1aja h LYS 305 Cb 0.77 0.04 -0.06 0.00 -1.00 0.00 0.00 32.23 31.98 1aja h LYS 305 CO 0.06 0.03 0.20 0.00 -2.81 0.00 0.00 179.45 176.93 1aja h ALA 306 N 0.47 0.68 -0.84 5.00 0.00 -0.73 -0.17 119.26 123.67 1aja h ALA 306 Ca -0.02 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1aja h ALA 306 Cb 0.29 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1aja h ALA 306 CO 0.03 -0.20 0.46 0.82 0.00 0.00 0.00 179.25 180.37 1aja h ILE 307 N 0.38 1.24 -0.43 0.00 2.04 -0.80 -0.05 117.51 119.90 1aja h ILE 307 Ca 0.27 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 1aja h ILE 307 Cb 0.30 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 1aja h ILE 307 CO -0.27 0.27 0.19 -0.08 0.00 0.00 0.00 178.15 178.26 1aja h GLU 308 N 1.17 0.63 0.11 2.37 4.81 0.55 -1.08 114.58 123.13 1aja h GLU 308 Ca 0.30 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1aja h GLU 308 Cb 0.01 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1aja h GLU 308 CO -0.05 0.57 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.68 1aja h LEU 309 N 0.55 -0.12 -1.93 1.64 3.38 -0.86 -3.33 115.31 114.64 1aja h LEU 309 Ca 0.15 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.68 1aja h LEU 309 Cb 0.16 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1aja h LEU 309 CO -0.02 0.48 0.09 -0.07 0.09 0.00 0.00 178.44 179.02 1aja h LEU 310 N -0.83 0.08 0.00 1.67 3.38 -1.01 -2.12 115.31 116.47 1aja h LEU 310 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1aja h LEU 310 Cb 0.57 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1aja h LEU 310 CO 0.02 0.05 0.00 -1.54 0.09 0.00 0.00 178.44 177.07 1aja n SER 311 N -4.51 0.00 0.20 -0.43 3.41 -0.41 -2.60 113.62 109.28 1aja n SER 311 Ca -0.00 -0.39 0.13 0.00 -0.26 0.00 0.00 58.87 58.35 1aja n SER 311 Cb 0.15 -0.14 0.35 0.00 -0.26 0.00 0.00 64.21 64.30 1aja n SER 311 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1aja h LYS 312 N 0.00 0.00 -6.20 4.33 1.79 -1.53 -3.43 116.57 111.53 1aja h LYS 312 Ca 0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 1aja h LYS 312 Cb 0.10 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.73 1aja h LYS 312 CO 0.00 0.00 1.30 1.21 -1.08 0.00 0.00 179.45 180.88 1aja s ASN 313 N -5.55 5.74 0.00 0.86 3.84 -1.07 -4.89 114.94 113.88 1aja s ASN 313 Ca 0.07 1.13 0.00 0.00 0.21 0.00 0.00 52.86 54.27 1aja s ASN 313 Cb 0.08 -2.53 0.01 0.00 -0.55 0.00 0.00 41.25 38.26 1aja s ASN 313 CO 0.61 -1.86 0.96 1.21 -2.79 0.00 0.00 177.10 175.23 1aja n GLU 314 N 8.57 0.00 0.00 0.43 4.07 -1.26 -2.43 120.64 130.02 1aja n GLU 314 Ca 0.23 0.46 0.11 0.00 -0.06 0.00 0.00 57.16 57.89 1aja n GLU 314 Cb 0.48 -1.55 0.05 0.00 -0.06 0.00 0.00 31.44 30.36 1aja n GLU 314 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1aja n LYS 315 N -1.46 0.05 0.00 5.31 0.00 -1.26 -5.09 118.16 115.71 1aja n LYS 315 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1aja n LYS 315 Cb 0.05 -1.51 0.00 0.00 0.00 0.00 0.00 35.03 33.56 1aja n LYS 315 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1aja n GLY 316 N 1.48 -0.07 3.36 3.14 0.00 -1.02 -4.89 105.19 107.18 1aja n GLY 316 Ca 0.04 -2.29 -0.12 0.00 0.00 0.00 0.00 46.02 43.66 1aja n GLY 316 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1aja s PHE 317 N -0.88 -0.34 -0.02 1.61 -0.12 -1.20 -1.63 117.98 115.39 1aja s PHE 317 Ca 0.00 0.15 0.07 0.00 -0.05 0.00 0.00 56.93 57.10 1aja s PHE 317 Cb 0.00 0.35 -0.02 0.00 -0.63 0.00 0.00 43.02 42.73 1aja s PHE 317 CO 0.00 -0.72 -0.23 0.12 -0.05 0.00 0.00 175.22 174.34 1aja s PHE 318 N -3.43 2.06 -0.05 3.49 5.36 -0.64 -1.40 117.98 123.39 1aja s PHE 318 Ca 0.00 -0.42 -0.02 0.00 -0.96 0.00 0.00 56.93 55.54 1aja s PHE 318 Cb 0.00 -1.33 0.03 0.00 -0.34 0.00 0.00 43.02 41.39 1aja s PHE 318 CO -0.10 -0.05 0.10 -1.17 -1.46 0.00 0.00 175.22 172.54 1aja s LEU 319 N -0.49 0.92 -0.08 6.12 2.96 -0.25 -1.44 118.68 126.43 1aja s LEU 319 Ca 0.07 0.19 0.02 0.00 -0.22 0.00 0.00 54.13 54.20 1aja s LEU 319 Cb -0.09 0.19 -0.02 0.00 0.50 0.00 0.00 46.19 46.77 1aja s LEU 319 CO -0.00 -0.13 -0.13 -1.58 -1.32 0.00 0.00 176.35 173.18 1aja s GLN 320 N 1.06 2.83 -0.08 1.98 0.74 -0.84 -0.31 119.66 125.05 1aja s GLN 320 Ca -0.08 -0.67 0.01 0.00 0.05 0.00 0.00 55.36 54.66 1aja s GLN 320 Cb -0.11 -2.49 0.02 0.00 1.10 0.00 0.00 33.01 31.52 1aja s GLN 320 CO -0.04 0.49 -0.09 0.08 -0.55 0.00 0.00 175.29 175.17 1aja s VAL 321 N -0.37 0.98 -0.12 1.34 1.01 0.72 -1.05 120.40 122.90 1aja s VAL 321 Ca 0.04 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1aja s VAL 321 Cb -0.12 -0.95 -0.00 0.00 0.00 0.00 0.00 36.38 35.30 1aja s VAL 321 CO 0.02 0.34 -0.20 -0.70 0.00 0.00 0.00 175.10 174.56 1aja s GLU 322 N 1.11 3.13 -0.51 2.72 2.12 0.23 -0.68 118.70 126.82 1aja s GLU 322 Ca -0.07 -0.82 -0.16 0.00 0.36 0.00 0.00 54.97 54.29 1aja s GLU 322 Cb -0.14 -2.44 0.11 0.00 0.26 0.00 0.00 34.13 31.91 1aja s GLU 322 CO -0.01 0.12 0.46 0.20 -0.54 0.00 0.00 175.26 175.48 1aja s GLY 323 N 0.52 2.07 0.00 -1.50 0.00 -0.13 -2.65 107.32 105.64 1aja s GLY 323 Ca -0.13 -2.36 0.00 0.00 0.00 0.00 0.00 44.72 42.23 1aja s GLY 323 CO 0.05 1.14 0.00 0.00 0.00 0.00 0.00 173.10 174.28 1aja n ALA 324 N 5.23 0.00 -0.53 3.20 0.00 -1.26 -1.51 120.51 125.63 1aja n ALA 324 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.01 1aja n ALA 324 Cb 0.42 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.10 1aja n ALA 324 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1aja n SER 325 N -0.04 -1.81 0.00 0.00 7.64 -1.26 -4.61 113.62 113.53 1aja n SER 325 Ca 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1aja n SER 325 Cb 0.00 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 1aja n SER 325 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aja n ALA 333 N -4.81 0.00 -3.66 -0.43 0.00 -1.26 -3.52 120.51 106.83 1aja n ALA 333 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.19 1aja n ALA 333 Cb 0.56 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.89 1aja n ALA 333 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1aja s ASN 334 N 0.00 3.24 0.15 0.00 2.47 -1.26 -0.66 114.94 118.88 1aja s ASN 334 Ca 0.00 -3.26 -0.16 0.00 0.42 0.00 0.00 52.86 49.85 1aja s ASN 334 Cb 0.00 -1.03 0.01 0.00 -1.45 0.00 0.00 41.25 38.78 1aja s ASN 334 CO 0.00 -0.16 1.80 -0.65 -3.72 0.00 0.00 177.10 174.37 1aja h PRO 335 N 5.80 0.52 -0.77 0.43 0.11 -1.94 -1.66 132.00 134.50 1aja h PRO 335 Ca 0.16 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 66.34 1aja h PRO 335 Cb 0.85 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 31.77 1aja h PRO 335 CO 0.53 0.36 0.39 0.00 -0.21 0.00 0.00 178.00 179.07 1aja h GLY 337 N 0.64 0.94 0.80 0.00 0.00 -1.39 -1.20 103.07 102.85 1aja h GLY 337 Ca 0.39 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1aja h GLY 337 CO -0.30 0.78 -0.27 -1.61 0.00 0.00 0.00 176.54 175.14 1aja h GLN 338 N 0.74 -0.62 -0.65 4.80 4.15 -0.63 -2.54 115.11 120.36 1aja h GLN 338 Ca 0.09 0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.50 1aja h GLN 338 Cb 0.82 0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.62 1aja h GLN 338 CO 0.07 -0.41 0.19 0.82 -1.93 0.00 0.00 178.83 177.57 1aja h ILE 339 N -0.64 1.24 0.00 2.39 2.04 -0.77 -2.41 117.51 119.37 1aja h ILE 339 Ca -0.03 -0.86 -0.05 0.00 1.00 0.00 0.00 64.86 64.92 1aja h ILE 339 Cb 0.55 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1aja h ILE 339 CO 0.00 0.33 -0.25 1.23 0.00 0.00 0.00 178.15 179.47 1aja h GLY 340 N 1.05 0.00 2.00 5.37 0.00 -1.15 -1.95 103.07 108.39 1aja h GLY 340 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.40 1aja h GLY 340 CO -0.01 0.00 -0.65 0.83 0.00 0.00 0.00 176.54 176.71 1aja h GLU 341 N 0.00 0.00 -0.14 4.80 4.39 -0.99 -1.05 114.58 121.59 1aja h GLU 341 Ca -0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 1aja h GLU 341 Cb 0.53 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1aja h GLU 341 CO 0.03 0.65 -0.48 1.15 -1.16 0.00 0.00 179.01 179.21 1aja h THR 342 N 0.00 1.33 0.01 1.13 2.02 -1.29 -1.73 112.91 114.38 1aja h THR 342 Ca -0.01 -1.69 -0.00 0.00 0.77 0.00 0.00 66.41 65.49 1aja h THR 342 Cb 1.43 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 1aja h THR 342 CO 0.09 0.51 -0.01 0.58 0.37 0.00 0.00 175.52 177.06 1aja h VAL 343 N 0.30 1.22 -0.56 3.16 2.07 -1.26 -1.46 116.25 119.71 1aja h VAL 343 Ca 0.02 -0.68 0.10 0.00 0.82 0.00 0.00 66.70 66.96 1aja h VAL 343 Cb 0.95 1.68 -0.11 0.00 -1.52 0.00 0.00 31.29 32.29 1aja h VAL 343 CO 0.08 0.18 -0.33 0.44 0.02 0.00 0.00 177.57 177.96 1aja h ASP 344 N -0.31 -1.12 -0.48 0.57 3.32 -1.11 -2.01 116.42 115.28 1aja h ASP 344 Ca -0.00 0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1aja h ASP 344 Cb 0.30 0.56 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 1aja h ASP 344 CO 0.00 -0.30 0.28 0.25 -1.72 0.00 0.00 179.24 177.75 1aja h LEU 345 N -0.17 0.58 -1.16 1.55 5.85 -1.25 -2.51 115.31 118.21 1aja h LEU 345 Ca 0.23 -0.07 0.23 0.00 0.84 0.00 0.00 57.88 59.11 1aja h LEU 345 Cb 0.54 -0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.32 1aja h LEU 345 CO -0.66 0.48 0.62 -0.78 -0.34 0.00 0.00 178.44 177.77 1aja h ASP 346 N 0.64 0.62 -0.23 1.25 3.58 -0.54 0.27 116.42 122.01 1aja h ASP 346 Ca 0.17 0.10 -0.11 0.00 0.42 0.00 0.00 57.03 57.61 1aja h ASP 346 Cb 0.01 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1aja h ASP 346 CO -0.03 0.16 -0.24 -0.33 -2.88 0.00 0.00 179.24 175.92 1aja h GLU 347 N 0.57 0.70 -0.49 0.28 5.08 -1.07 -0.83 114.58 118.83 1aja h GLU 347 Ca 0.59 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 58.56 1aja h GLU 347 Cb 1.19 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1aja h GLU 347 CO -0.37 0.88 -0.14 0.00 -1.00 0.00 0.00 179.01 178.38 1aja h ALA 348 N 1.12 0.67 -0.58 3.43 0.00 -0.31 -2.42 119.26 121.19 1aja h ALA 348 Ca 0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1aja h ALA 348 Cb 0.73 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1aja h ALA 348 CO 0.06 0.61 0.20 0.28 0.00 0.00 0.00 179.25 180.39 1aja h VAL 349 N 0.81 1.23 -0.08 0.00 2.07 -0.87 -1.21 116.25 118.21 1aja h VAL 349 Ca 0.12 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.91 1aja h VAL 349 Cb 0.71 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 1aja h VAL 349 CO 0.05 0.29 -0.31 1.56 0.02 0.00 0.00 177.57 179.18 1aja h GLN 350 N 0.80 -0.40 -0.48 1.57 4.20 -1.06 0.89 115.11 120.64 1aja h GLN 350 Ca 0.19 0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.97 1aja h GLN 350 Cb 0.25 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 1aja h GLN 350 CO -0.01 -0.27 0.22 0.00 -0.67 0.00 0.00 178.83 178.11 1aja h ARG 351 N -0.41 0.43 -0.69 1.46 2.47 -1.18 0.96 114.38 117.41 1aja h ARG 351 Ca 0.08 -0.03 0.08 0.00 -1.26 0.00 0.00 59.98 58.85 1aja h ARG 351 Cb 0.54 -0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 28.70 1aja h ARG 351 CO -0.31 0.28 0.37 0.00 0.56 0.00 0.00 179.97 180.86 1aja h ALA 352 N 1.27 0.94 -0.32 0.04 0.00 -0.86 -1.38 119.26 118.95 1aja h ALA 352 Ca 0.21 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 1aja h ALA 352 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1aja h ALA 352 CO -0.17 0.01 -0.37 -0.07 0.00 0.00 0.00 179.25 178.65 1aja h LEU 353 N 0.65 0.77 0.05 0.00 3.38 0.32 0.63 115.31 121.11 1aja h LEU 353 Ca 0.32 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1aja h LEU 353 Cb 0.27 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1aja h LEU 353 CO -0.22 1.06 -0.25 -0.08 0.09 0.00 0.00 178.44 179.04 1aja h GLU 354 N 0.61 -0.40 -0.02 1.13 4.81 -0.47 0.13 114.58 120.36 1aja h GLU 354 Ca 0.06 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1aja h GLU 354 Cb 0.90 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 1aja h GLU 354 CO 0.08 -0.27 0.01 0.35 -0.73 0.00 0.00 179.01 178.45 1aja h PHE 355 N -0.42 0.02 -0.94 0.92 3.57 -1.07 -2.81 116.94 116.21 1aja h PHE 355 Ca 0.05 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1aja h PHE 355 Cb 0.48 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 1aja h PHE 355 CO -0.26 0.10 0.62 0.00 -2.23 0.00 0.00 178.31 176.54 1aja h ALA 356 N 0.92 1.20 -0.09 2.41 0.00 -0.59 0.58 119.26 123.69 1aja h ALA 356 Ca 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1aja h ALA 356 Cb 0.08 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1aja h ALA 356 CO -0.00 0.57 0.03 0.87 0.00 0.00 0.00 179.25 180.72 1aja h LYS 357 N 1.26 0.15 -0.98 0.00 1.57 -0.99 0.10 116.57 117.68 1aja h LYS 357 Ca 0.35 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.13 1aja h LYS 357 Cb -0.13 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.11 1aja h LYS 357 CO -0.08 0.30 0.64 0.87 -0.57 0.00 0.00 179.45 180.61 1aja h LYS 358 N -0.03 1.21 0.17 3.15 1.57 -1.16 -3.13 116.57 118.35 1aja h LYS 358 Ca 0.03 -0.07 -0.31 0.00 -1.87 0.00 0.00 60.65 58.43 1aja h LYS 358 Cb 0.21 -0.27 0.01 0.00 0.08 0.00 0.00 32.23 32.26 1aja h LYS 358 CO -0.00 0.80 -1.42 1.49 -0.57 0.00 0.00 179.45 179.75 1aja h GLU 359 N 1.25 0.36 -0.05 3.15 4.22 -0.77 -3.48 114.58 119.25 1aja h GLU 359 Ca 0.39 -0.61 -0.02 0.00 0.08 0.00 0.00 59.36 59.20 1aja h GLU 359 Cb -0.02 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1aja h GLU 359 CO -0.12 1.27 -0.02 0.41 -2.18 0.00 0.00 179.01 178.37 1aja n GLY 360 N 1.64 0.41 2.19 1.92 0.00 0.01 -4.83 105.19 106.53 1aja n GLY 360 Ca -0.14 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 45.79 1aja n GLY 360 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1aja n ASN 361 N -0.19 0.83 -4.18 1.61 3.02 -1.26 -4.89 115.26 110.19 1aja n ASN 361 Ca -0.01 -2.03 -0.29 0.00 -0.03 0.00 0.00 54.58 52.22 1aja n ASN 361 Cb 0.19 -0.23 -0.16 0.00 -0.61 0.00 0.00 39.78 38.97 1aja n ASN 361 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1aja s THR 362 N -1.72 1.72 -0.18 3.41 2.01 -1.26 -0.04 115.64 119.58 1aja s THR 362 Ca 0.25 -0.86 -0.16 0.00 0.31 0.00 0.00 61.69 61.23 1aja s THR 362 Cb 0.33 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 1aja s THR 362 CO -0.09 0.49 0.40 -0.22 -0.69 0.00 0.00 174.62 174.50 1aja s LEU 363 N 0.11 4.19 -0.09 4.42 2.96 -0.65 -4.12 118.68 125.51 1aja s LEU 363 Ca -0.08 0.57 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 1aja s LEU 363 Cb -0.14 -2.53 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 1aja s LEU 363 CO 0.04 -0.04 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.19 1aja s VAL 364 N 1.10 2.95 -0.04 1.68 1.01 -0.20 -1.53 120.40 125.38 1aja s VAL 364 Ca 0.20 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1aja s VAL 364 Cb -0.15 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.06 1aja s VAL 364 CO 0.08 0.56 -0.08 -0.63 0.00 0.00 0.00 175.10 175.03 1aja s ILE 365 N -0.18 0.77 -0.08 2.22 1.01 -0.67 -1.56 121.20 122.71 1aja s ILE 365 Ca -0.00 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.37 1aja s ILE 365 Cb -0.13 -0.72 0.01 0.00 0.01 0.00 0.00 42.46 41.63 1aja s ILE 365 CO 0.03 0.26 -0.15 -0.69 0.00 0.00 0.00 174.94 174.39 1aja s VAL 366 N 0.55 1.40 0.23 2.92 1.01 -0.29 -0.49 120.40 125.74 1aja s VAL 366 Ca -0.09 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 1aja s VAL 366 Cb -0.12 -1.27 0.06 0.00 0.00 0.00 0.00 36.38 35.05 1aja s VAL 366 CO 0.01 0.42 0.74 1.07 0.00 0.00 0.00 175.10 177.34 1aja n THR 367 N 3.88 0.00 -4.37 3.92 5.66 -0.93 -0.82 114.28 121.62 1aja n THR 367 Ca -0.21 -0.63 -0.25 0.00 -3.05 0.00 0.00 64.05 59.92 1aja n THR 367 Cb 0.52 0.71 -0.09 0.00 -1.55 0.00 0.00 70.33 69.93 1aja n THR 367 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1aja s ALA 368 N -1.86 3.14 -0.02 1.79 0.00 -1.26 -1.10 121.76 122.45 1aja s ALA 368 Ca 0.16 -1.95 -0.20 0.00 0.00 0.00 0.00 51.96 49.97 1aja s ALA 368 Cb -0.03 -0.36 -0.31 0.00 0.00 0.00 0.00 23.12 22.42 1aja s ALA 368 CO 0.07 0.10 0.96 0.38 0.00 0.00 0.00 175.76 177.27 1aja h ASP 369 N 1.87 0.56 -5.10 0.00 2.03 -1.92 -3.48 116.42 110.39 1aja h ASP 369 Ca -0.43 -0.91 0.19 0.00 -0.73 0.00 0.00 57.03 55.15 1aja h ASP 369 Cb 1.25 -0.18 -0.12 0.00 -0.83 0.00 0.00 39.33 39.45 1aja h ASP 369 CO 0.66 1.43 0.57 -1.38 -1.03 0.00 0.00 179.24 179.48 1aja s HIS 370 N -2.61 -0.18 0.43 4.15 -3.43 -1.26 -4.88 115.29 107.51 1aja s HIS 370 Ca -0.13 -0.02 -0.21 0.00 -0.80 0.00 0.00 55.06 53.90 1aja s HIS 370 Cb 0.02 0.58 -0.10 0.00 -1.43 0.00 0.00 32.58 31.65 1aja s HIS 370 CO 0.85 -0.61 0.97 0.00 -2.00 0.00 0.00 174.74 173.95 1aja s ALA 371 N -3.03 3.02 0.00 -1.38 0.00 -1.25 -3.43 121.76 115.68 1aja s ALA 371 Ca 0.10 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1aja s ALA 371 Cb -0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1aja s ALA 371 CO -0.03 0.05 0.00 0.72 0.00 0.00 0.00 175.76 176.50 1aja n HIS 372 N -0.62 -1.49 -0.48 0.00 8.25 -1.22 -1.34 115.22 118.33 1aja n HIS 372 Ca 0.07 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.61 1aja n HIS 372 Cb 0.53 0.00 0.25 0.00 1.12 0.00 0.00 29.99 31.89 1aja n HIS 372 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1aja n ALA 373 N -3.00 2.60 -2.15 -1.41 0.00 -0.91 -4.45 120.51 111.19 1aja n ALA 373 Ca 0.00 -1.51 -0.38 0.00 0.00 0.00 0.00 53.44 51.55 1aja n ALA 373 Cb 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 1aja n ALA 373 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1aja s SER 374 N -1.16 7.14 0.09 0.00 1.04 -1.26 -4.63 113.70 114.92 1aja s SER 374 Ca 0.37 1.40 0.07 0.00 0.48 0.00 0.00 55.95 58.27 1aja s SER 374 Cb 0.23 -2.41 -0.03 0.00 0.10 0.00 0.00 66.02 63.91 1aja s SER 374 CO 0.19 0.18 -0.18 -1.10 0.98 0.00 0.00 173.24 173.31 1aja s GLN 375 N -1.42 0.97 -0.20 4.02 -0.21 -0.68 -4.78 119.66 117.36 1aja s GLN 375 Ca 0.35 -1.06 -0.20 0.00 0.02 0.00 0.00 55.36 54.48 1aja s GLN 375 Cb -0.19 -1.11 -0.03 0.00 1.00 0.00 0.00 33.01 32.68 1aja s GLN 375 CO 0.22 0.25 0.57 0.42 -2.12 0.00 0.00 175.29 174.64 1aja s ILE 376 N -1.21 5.06 0.23 1.08 1.01 -1.26 -0.57 121.20 125.54 1aja s ILE 376 Ca 0.02 1.07 0.05 0.00 0.00 0.00 0.00 60.65 61.79 1aja s ILE 376 Cb -0.10 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 1aja s ILE 376 CO 0.03 0.15 -0.04 0.68 0.00 0.00 0.00 174.94 175.76 1aja s VAL 377 N 1.75 1.24 0.19 2.92 -7.23 -0.01 -4.98 120.40 114.28 1aja s VAL 377 Ca 0.27 -2.07 -0.32 0.00 -1.81 0.00 0.00 61.98 58.04 1aja s VAL 377 Cb -0.16 -2.29 -0.12 0.00 0.56 0.00 0.00 36.38 34.37 1aja s VAL 377 CO 0.10 -0.38 1.71 0.00 -0.31 0.00 0.00 175.10 176.21 1aja n ALA 378 N -0.43 2.51 0.30 1.32 0.00 -1.26 -3.90 120.51 119.04 1aja n ALA 378 Ca -0.06 0.40 0.15 0.00 0.00 0.00 0.00 53.44 53.93 1aja n ALA 378 Cb 0.63 -2.50 0.79 0.00 0.00 0.00 0.00 19.45 18.38 1aja n ALA 378 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1aja h PRO 379 N 6.77 0.00 -0.02 0.00 0.13 -1.92 -1.05 132.00 135.91 1aja h PRO 379 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1aja h PRO 379 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1aja h PRO 379 CO 0.94 0.00 -0.05 -0.40 -0.23 0.00 0.00 178.00 178.26 1aja n ASP 380 N -2.75 1.68 -4.63 1.44 5.75 -1.26 -4.83 116.55 111.94 1aja n ASP 380 Ca -0.02 -1.49 -0.46 0.00 -0.01 0.00 0.00 54.79 52.82 1aja n ASP 380 Cb 0.31 0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.41 1aja n ASP 380 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1aja n THR 381 N 0.23 1.24 -3.30 2.12 -1.04 -0.40 -4.98 114.28 108.15 1aja n THR 381 Ca 0.17 -0.31 -0.46 0.00 -2.04 0.00 0.00 64.05 61.41 1aja n THR 381 Cb 0.40 -1.21 -0.01 0.00 -1.82 0.00 0.00 70.33 67.68 1aja n THR 381 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1aja s LYS 382 N -0.77 3.80 0.55 -2.82 3.01 -1.26 -4.88 119.74 117.37 1aja s LYS 382 Ca 0.66 -2.65 -0.15 0.00 -1.01 0.00 0.00 55.97 52.82 1aja s LYS 382 Cb -0.71 -4.51 -0.06 0.00 -1.01 0.00 0.00 37.83 31.54 1aja s LYS 382 CO 0.54 -1.32 1.01 0.00 0.51 0.00 0.00 175.35 176.09 1aja s ALA 383 N -0.08 3.00 -1.69 5.17 0.00 -1.26 -4.92 121.76 121.98 1aja s ALA 383 Ca 0.23 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1aja s ALA 383 Cb -0.10 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1aja s ALA 383 CO -0.09 -0.43 0.55 -0.35 0.00 0.00 0.00 175.76 175.45 1aja n PRO 384 N -1.86 0.66 -0.18 0.00 -0.04 -1.26 -4.76 135.00 127.55 1aja n PRO 384 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1aja n PRO 384 Cb 0.54 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 1aja n PRO 384 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aja n GLY 385 N 0.16 4.97 3.66 0.55 0.00 -1.26 -5.07 105.19 108.20 1aja n GLY 385 Ca 0.00 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 44.21 1aja n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aja s LEU 386 N 0.00 4.14 0.21 0.99 1.43 -1.17 -3.31 118.68 120.96 1aja s LEU 386 Ca 0.00 0.73 0.05 0.00 -1.03 0.00 0.00 54.13 53.88 1aja s LEU 386 Cb 0.00 -2.78 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 1aja s LEU 386 CO 0.00 -0.23 -0.06 0.42 0.23 0.00 0.00 176.35 176.71 1aja s THR 387 N 1.80 1.27 -0.21 5.49 -4.23 0.40 -0.57 115.64 119.59 1aja s THR 387 Ca 0.26 -2.08 -0.13 0.00 -1.18 0.00 0.00 61.69 58.55 1aja s THR 387 Cb -0.16 -2.17 0.07 0.00 1.34 0.00 0.00 72.50 71.58 1aja s THR 387 CO 0.10 -0.49 0.53 -1.58 -0.54 0.00 0.00 174.62 172.64 1aja s GLN 388 N -3.77 0.55 -0.05 3.99 0.74 -0.89 -1.57 119.66 118.65 1aja s GLN 388 Ca 0.24 0.94 -0.18 0.00 0.05 0.00 0.00 55.36 56.41 1aja s GLN 388 Cb 0.03 0.09 -0.05 0.00 1.10 0.00 0.00 33.01 34.19 1aja s GLN 388 CO 0.06 -0.14 0.48 0.00 -0.55 0.00 0.00 175.29 175.15 1aja s ALA 389 N 1.28 3.54 0.11 1.58 0.00 -1.26 -1.12 121.76 125.89 1aja s ALA 389 Ca -0.08 -0.15 0.08 0.00 0.00 0.00 0.00 51.96 51.81 1aja s ALA 389 Cb -0.06 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 1aja s ALA 389 CO -0.13 0.18 -0.19 -0.51 0.00 0.00 0.00 175.76 175.11 1aja s LEU 390 N -0.08 2.32 -0.44 0.00 1.43 0.93 -0.31 118.68 122.52 1aja s LEU 390 Ca 0.26 -0.71 -0.18 0.00 -1.03 0.00 0.00 54.13 52.48 1aja s LEU 390 Cb -0.16 -0.82 0.03 0.00 0.03 0.00 0.00 46.19 45.28 1aja s LEU 390 CO 0.13 0.02 0.48 0.20 0.23 0.00 0.00 176.35 177.41 1aja s ASN 391 N -2.01 6.20 0.74 2.29 -0.87 0.59 -0.65 114.94 121.24 1aja s ASN 391 Ca 0.07 -0.78 -0.07 0.00 -1.57 0.00 0.00 52.86 50.50 1aja s ASN 391 Cb -0.09 -2.24 0.09 0.00 -0.02 0.00 0.00 41.25 38.99 1aja s ASN 391 CO 0.04 -0.66 1.06 0.42 -2.57 0.00 0.00 177.10 175.39 1aja s THR 392 N 2.22 2.21 0.52 1.60 -4.23 -0.84 -4.81 115.64 112.32 1aja s THR 392 Ca 0.12 -0.26 0.34 0.00 -1.18 0.00 0.00 61.69 60.71 1aja s THR 392 Cb -0.18 -2.95 0.52 0.00 1.34 0.00 0.00 72.50 71.23 1aja s THR 392 CO 0.13 0.00 1.82 0.50 -0.54 0.00 0.00 174.62 176.52 1aja h LYS 393 N -0.75 0.05 0.00 3.99 1.63 -0.94 -0.66 116.57 119.89 1aja h LYS 393 Ca -0.44 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1aja h LYS 393 Cb 1.30 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 1aja h LYS 393 CO 0.55 0.03 0.00 -0.25 -3.45 0.00 0.00 179.45 176.33 1aja n ASP 394 N -4.25 0.00 -1.82 4.20 8.00 -1.26 -4.88 116.55 116.54 1aja n ASP 394 Ca 0.24 -0.62 -0.14 0.00 0.71 0.00 0.00 54.79 54.98 1aja n ASP 394 Cb 1.15 -0.12 0.01 0.00 -0.02 0.00 0.00 41.12 42.14 1aja n ASP 394 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aja n GLY 395 N 1.04 -0.14 3.24 0.44 0.00 -0.25 -5.03 105.19 104.48 1aja n GLY 395 Ca 0.19 -0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 1aja n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aja s ALA 396 N -2.83 1.42 -0.01 4.61 0.00 -1.26 -4.96 121.76 118.73 1aja s ALA 396 Ca 0.11 -1.37 -0.07 0.00 0.00 0.00 0.00 51.96 50.64 1aja s ALA 396 Cb -0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 1aja s ALA 396 CO 0.14 -0.01 0.26 0.14 0.00 0.00 0.00 175.76 176.28 1aja s VAL 397 N -2.71 5.32 -0.10 0.00 -7.23 -1.26 -1.98 120.40 112.45 1aja s VAL 397 Ca 0.12 0.18 0.03 0.00 -1.81 0.00 0.00 61.98 60.50 1aja s VAL 397 Cb -0.01 -3.56 -0.01 0.00 0.56 0.00 0.00 36.38 33.36 1aja s VAL 397 CO 0.02 0.40 -0.20 -0.32 -0.31 0.00 0.00 175.10 174.69 1aja s MET 398 N -1.67 3.03 -0.19 4.82 0.00 0.18 -4.88 119.30 120.60 1aja s MET 398 Ca 0.26 -0.81 -0.08 0.00 0.00 0.00 0.00 55.69 55.07 1aja s MET 398 Cb -0.13 -2.39 -0.04 0.00 0.00 0.00 0.00 34.83 32.26 1aja s MET 398 CO 0.15 0.26 0.07 0.08 0.00 0.00 0.00 175.02 175.58 1aja s VAL 399 N 0.17 4.88 0.12 10.11 1.01 -1.25 -0.05 120.40 135.38 1aja s VAL 399 Ca -0.11 -0.00 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1aja s VAL 399 Cb -0.16 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1aja s VAL 399 CO 0.06 0.46 0.09 -0.04 0.00 0.00 0.00 175.10 175.67 1aja s MET 400 N 0.38 2.83 0.04 2.72 -1.94 -0.28 -0.83 119.30 122.22 1aja s MET 400 Ca 0.04 -0.80 0.06 0.00 -1.71 0.00 0.00 55.69 53.28 1aja s MET 400 Cb -0.12 -2.66 -0.02 0.00 2.01 0.00 0.00 34.83 34.04 1aja s MET 400 CO -0.00 0.52 -0.17 0.45 -0.01 0.00 0.00 175.02 175.81 1aja s SER 401 N -2.71 2.05 0.28 3.03 0.15 0.27 -2.10 113.70 114.67 1aja s SER 401 Ca 0.30 -0.48 0.06 0.00 0.70 0.00 0.00 55.95 56.52 1aja s SER 401 Cb -0.11 -0.16 -0.06 0.00 -1.71 0.00 0.00 66.02 63.99 1aja s SER 401 CO 0.22 0.10 -0.04 -0.31 1.20 0.00 0.00 173.24 174.41 1aja s TYR 402 N -0.81 1.92 0.00 3.44 2.02 0.26 -1.68 117.35 122.49 1aja s TYR 402 Ca 0.04 -0.76 0.00 0.00 -0.37 0.00 0.00 57.07 55.99 1aja s TYR 402 Cb -0.08 -1.12 0.00 0.00 -0.40 0.00 0.00 41.96 40.35 1aja s TYR 402 CO 0.01 0.21 0.00 -0.85 -1.57 0.00 0.00 175.55 173.35 1aja n GLU 411 N -0.58 0.00 -2.76 -0.62 -0.00 -1.26 -3.06 120.64 112.36 1aja n GLU 411 Ca -0.05 0.00 -0.34 0.00 -0.00 0.00 0.00 57.16 56.77 1aja n GLU 411 Cb 0.64 0.00 -0.06 0.00 -0.00 0.00 0.00 31.44 32.02 1aja n GLU 411 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1aja s HIS 412 N 0.00 3.30 0.28 -1.84 0.09 -1.26 -2.14 115.29 113.72 1aja s HIS 412 Ca 0.00 1.63 0.05 0.00 -0.00 0.00 0.00 55.06 56.73 1aja s HIS 412 Cb 0.00 -2.90 -0.06 0.00 -0.00 0.00 0.00 32.58 29.62 1aja s HIS 412 CO 0.00 -0.21 0.00 0.95 -0.00 0.00 0.00 174.74 175.48 1aja s THR 413 N -2.06 1.28 -2.37 1.30 -4.23 -0.45 -4.86 115.64 104.24 1aja s THR 413 Ca 0.61 -2.05 0.23 0.00 -1.18 0.00 0.00 61.69 59.30 1aja s THR 413 Cb -0.12 -2.53 0.46 0.00 1.34 0.00 0.00 72.50 71.65 1aja s THR 413 CO 0.16 -0.20 1.56 0.61 -0.54 0.00 0.00 174.62 176.21 1aja n GLY 414 N -0.56 0.40 3.77 3.99 0.00 -1.26 -3.94 105.19 107.58 1aja n GLY 414 Ca -0.04 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1aja n GLY 414 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1aja s SER 415 N -1.67 6.61 0.86 1.61 0.15 -1.26 -4.88 113.70 115.13 1aja s SER 415 Ca 0.34 2.82 -0.12 0.00 0.70 0.00 0.00 55.95 59.69 1aja s SER 415 Cb 0.19 -2.65 0.12 0.00 -1.71 0.00 0.00 66.02 61.96 1aja s SER 415 CO 0.28 -0.67 1.18 0.00 1.20 0.00 0.00 173.24 175.23 1aja s GLN 416 N -1.74 1.31 0.28 5.44 -2.07 -1.26 -4.52 119.66 117.10 1aja s GLN 416 Ca 0.51 1.67 -0.07 0.00 -1.82 0.00 0.00 55.36 55.65 1aja s GLN 416 Cb -0.42 -1.75 -0.01 0.00 -1.09 0.00 0.00 33.01 29.74 1aja s GLN 416 CO 0.55 -2.44 0.42 -0.48 -1.32 0.00 0.00 175.29 172.03 1aja s LEU 417 N -6.16 0.72 0.34 2.60 0.05 -1.06 -4.92 118.68 110.24 1aja s LEU 417 Ca 0.70 -1.22 -0.28 0.00 0.05 0.00 0.00 54.13 53.38 1aja s LEU 417 Cb -0.26 1.44 -0.10 0.00 -2.05 0.00 0.00 46.19 45.23 1aja s LEU 417 CO 0.54 -1.16 1.21 -0.60 -0.55 0.00 0.00 176.35 175.79 1aja s ARG 418 N -3.65 4.36 -0.01 1.48 3.52 -1.26 -0.76 118.95 122.63 1aja s ARG 418 Ca 0.28 1.99 0.02 0.00 -0.13 0.00 0.00 55.73 57.89 1aja s ARG 418 Cb 0.01 -3.00 -0.00 0.00 -1.56 0.00 0.00 34.95 30.40 1aja s ARG 418 CO 0.14 -0.10 -0.07 -1.50 -0.81 0.00 0.00 175.30 172.95 1aja s ILE 419 N -1.22 0.60 0.03 4.11 2.07 -0.64 -4.20 121.20 121.95 1aja s ILE 419 Ca 0.50 -0.30 0.02 0.00 -1.41 0.00 0.00 60.65 59.47 1aja s ILE 419 Cb -0.35 -0.53 -0.02 0.00 0.13 0.00 0.00 42.46 41.70 1aja s ILE 419 CO 0.45 0.18 -0.08 0.00 -1.91 0.00 0.00 174.94 173.59 1aja s ALA 420 N 0.02 0.59 0.14 1.50 0.00 0.00 -1.87 121.76 122.14 1aja s ALA 420 Ca 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 51.96 51.22 1aja s ALA 420 Cb -0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 1aja s ALA 420 CO -0.00 0.02 0.23 0.00 0.00 0.00 0.00 175.76 176.01 1aja s ALA 421 N -1.10 0.03 -0.14 0.00 0.00 0.33 -1.14 121.76 119.74 1aja s ALA 421 Ca -0.07 -0.87 -0.09 0.00 0.00 0.00 0.00 51.96 50.93 1aja s ALA 421 Cb -0.08 0.75 0.05 0.00 0.00 0.00 0.00 23.12 23.84 1aja s ALA 421 CO 0.00 -0.59 0.34 -0.47 0.00 0.00 0.00 175.76 175.04 1aja s TYR 422 N -3.95 -0.45 0.00 0.00 5.04 -0.60 -2.39 117.35 115.01 1aja s TYR 422 Ca 0.14 1.02 0.00 0.00 -2.44 0.00 0.00 57.07 55.79 1aja s TYR 422 Cb 0.04 0.16 0.00 0.00 0.35 0.00 0.00 41.96 42.51 1aja s TYR 422 CO -0.03 -0.25 0.00 0.41 -1.34 0.00 0.00 175.55 174.34 1aja n GLY 423 N 3.74 -0.48 3.78 8.97 0.00 -1.26 -1.03 105.19 118.90 1aja n GLY 423 Ca -0.20 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.16 1aja n GLY 423 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aja s PRO 424 N -0.48 3.98 0.00 1.61 0.04 -1.26 -2.44 135.00 136.46 1aja s PRO 424 Ca 0.00 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.57 1aja s PRO 424 Cb 0.00 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.66 1aja s PRO 424 CO 0.00 -0.62 0.00 0.72 0.04 0.00 0.00 177.00 177.14 1aja n HIS 425 N 0.26 0.00 0.29 0.56 8.25 0.04 -4.56 115.22 120.07 1aja n HIS 425 Ca 0.02 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.65 1aja n HIS 425 Cb 0.40 -1.09 0.84 0.00 1.12 0.00 0.00 29.99 31.27 1aja n HIS 425 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1aja h ALA 426 N 0.00 1.00 -0.04 -1.41 0.00 -1.72 -2.53 119.26 114.57 1aja h ALA 426 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1aja h ALA 426 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1aja h ALA 426 CO 0.00 0.00 0.08 0.00 0.00 0.00 0.00 179.25 179.33 1aja h ALA 427 N 2.04 1.34 0.00 0.00 0.00 -1.89 -2.51 119.26 118.23 1aja h ALA 427 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aja h ALA 427 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1aja h ALA 427 CO 0.00 -0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.24 1aja n ASN 428 N -3.40 0.00 -0.23 0.00 3.02 -0.95 -2.44 115.26 111.25 1aja n ASN 428 Ca -0.02 -1.00 0.06 0.00 -0.03 0.00 0.00 54.58 53.59 1aja n ASN 428 Cb 0.16 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.32 1aja n ASN 428 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1aja n VAL 429 N -0.88 0.00 -3.00 2.41 0.24 -0.94 -4.94 118.33 111.20 1aja n VAL 429 Ca 0.15 -0.33 -0.39 0.00 -2.04 0.00 0.00 64.34 61.72 1aja n VAL 429 Cb 0.07 1.12 -0.06 0.00 -1.47 0.00 0.00 33.84 33.50 1aja n VAL 429 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1aja s VAL 430 N -1.73 4.53 0.00 3.34 1.01 -1.02 -2.86 120.40 123.66 1aja s VAL 430 Ca 0.10 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.71 1aja s VAL 430 Cb 0.10 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1aja s VAL 430 CO 0.36 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.54 1aja n GLY 431 N 1.89 -1.80 3.66 4.51 0.00 -1.25 -4.84 105.19 107.35 1aja n GLY 431 Ca -0.05 -1.86 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 1aja n GLY 431 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1aja s LEU 432 N 0.00 4.14 0.00 0.99 2.96 -1.26 -1.82 118.68 123.69 1aja s LEU 432 Ca 0.00 0.80 0.00 0.00 -0.22 0.00 0.00 54.13 54.71 1aja s LEU 432 Cb 0.00 -2.86 0.00 0.00 0.50 0.00 0.00 46.19 43.83 1aja s LEU 432 CO 0.00 -0.27 0.00 0.35 -1.32 0.00 0.00 176.35 175.11 1aja n THR 433 N 4.72 0.00 -4.26 3.68 -2.24 -0.57 -5.00 114.28 110.62 1aja n THR 433 Ca -0.02 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.58 1aja n THR 433 Cb 0.50 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.62 1aja n THR 433 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1aja s ASP 434 N -0.70 2.12 0.47 3.42 2.15 -1.26 -1.75 116.67 121.11 1aja s ASP 434 Ca 0.00 -0.83 0.14 0.00 0.43 0.00 0.00 52.55 52.30 1aja s ASP 434 Cb 0.00 -0.08 1.11 0.00 -0.30 0.00 0.00 42.92 43.65 1aja s ASP 434 CO 0.00 -0.13 2.05 -0.61 -0.17 0.00 0.00 175.17 176.31 1aja h GLN 435 N 3.44 0.26 0.00 4.34 4.15 -1.11 -0.56 115.11 125.63 1aja h GLN 435 Ca -0.40 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 58.93 1aja h GLN 435 Cb 1.20 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.82 1aja h GLN 435 CO 0.51 0.17 -0.37 1.79 -1.93 0.00 0.00 178.83 179.00 1aja h THR 436 N 0.27 1.14 0.00 2.39 1.35 -1.85 -1.98 112.91 114.24 1aja h THR 436 Ca 0.17 -1.32 -0.01 0.00 -0.55 0.00 0.00 66.41 64.69 1aja h THR 436 Cb 0.32 1.74 -0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1aja h THR 436 CO -0.03 0.36 -0.05 0.44 -0.25 0.00 0.00 175.52 175.99 1aja h ASP 437 N 0.00 0.00 -0.65 5.36 3.32 -1.40 -2.14 116.42 120.91 1aja h ASP 437 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1aja h ASP 437 Cb 0.71 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 1aja h ASP 437 CO 0.05 0.05 0.38 0.25 -1.72 0.00 0.00 179.24 178.25 1aja h LEU 438 N 0.00 0.80 -0.60 1.55 5.85 -1.40 0.12 115.31 121.63 1aja h LEU 438 Ca -0.00 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1aja h LEU 438 Cb 0.10 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1aja h LEU 438 CO 0.01 0.63 0.24 0.15 -0.34 0.00 0.00 178.44 179.13 1aja h PHE 439 N 0.92 0.91 0.00 1.25 3.57 -1.47 -0.25 116.94 121.88 1aja h PHE 439 Ca 0.24 -0.07 -0.20 0.00 3.53 0.00 0.00 57.97 61.47 1aja h PHE 439 Cb -0.01 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 1aja h PHE 439 CO 0.00 0.73 -0.88 1.88 -2.23 0.00 0.00 178.31 177.81 1aja h TYR 440 N 0.83 0.29 -0.14 0.41 0.05 -1.35 -0.21 116.97 116.85 1aja h TYR 440 Ca 0.20 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 1aja h TYR 440 Cb 0.20 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 1aja h TYR 440 CO 0.01 0.98 0.04 1.15 -1.05 0.00 0.00 178.16 179.29 1aja h THR 441 N 0.11 1.18 -0.35 -2.88 2.02 -0.51 -0.14 112.91 112.35 1aja h THR 441 Ca -0.04 -0.56 -0.07 0.00 0.77 0.00 0.00 66.41 66.50 1aja h THR 441 Cb 1.51 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 1aja h THR 441 CO 0.13 0.17 -0.07 0.24 0.37 0.00 0.00 175.52 176.37 1aja h MET 442 N 0.05 0.66 -0.04 6.66 2.86 -0.93 0.00 114.93 124.19 1aja h MET 442 Ca 0.05 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1aja h MET 442 Cb 0.22 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1aja h MET 442 CO -0.00 0.81 0.00 -0.22 1.06 0.00 0.00 176.91 178.56 1aja h LYS 443 N 0.45 0.01 -0.08 1.72 3.64 -1.01 -0.93 116.57 120.38 1aja h LYS 443 Ca 0.09 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 1aja h LYS 443 Cb 0.56 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1aja h LYS 443 CO 0.03 0.01 -0.36 0.00 -2.27 0.00 0.00 179.45 176.86 1aja h ALA 444 N 1.03 1.25 -0.30 5.00 0.00 -0.92 -1.75 119.26 123.56 1aja h ALA 444 Ca 0.02 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1aja h ALA 444 Cb 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1aja h ALA 444 CO -0.03 0.52 0.07 0.00 0.00 0.00 0.00 179.25 179.81 1aja h ALA 445 N 1.49 0.40 0.00 0.00 0.00 -0.50 -2.78 119.26 117.87 1aja h ALA 445 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1aja h ALA 445 Cb 0.71 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1aja h ALA 445 CO 0.05 0.07 0.00 -0.11 0.00 0.00 0.00 179.25 179.26 1aja n LEU 446 N -4.66 0.00 -2.48 0.00 7.94 -0.40 -1.09 117.00 116.32 1aja n LEU 446 Ca -0.02 0.22 -0.18 0.00 -1.11 0.00 0.00 56.01 54.91 1aja n LEU 446 Cb 0.19 -0.22 0.03 0.00 0.53 0.00 0.00 43.42 43.95 1aja n LEU 446 CO 0.37 -0.01 -0.01 0.61 -1.11 0.00 0.00 177.39 177.24 1aja n GLY 447 N 1.12 -0.30 3.57 -3.96 0.00 -0.73 -4.94 105.19 99.94 1aja n GLY 447 Ca 0.16 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1aja n GLY 447 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aja s LEU 448 N -5.52 3.83 0.00 0.99 1.02 -0.75 -5.04 118.68 113.20 1aja s LEU 448 Ca 0.23 0.13 0.12 0.00 0.02 0.00 0.00 54.13 54.63 1aja s LEU 448 Cb -0.10 -3.23 0.09 0.00 0.02 0.00 0.00 46.19 42.97 1aja s LEU 448 CO 0.29 -1.21 0.86 0.29 0.02 0.00 0.00 176.35 176.61