#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1own n ALA 3 N 0.00 2.99 -2.45 0.00 0.00 -1.26 -4.72 120.51 115.07 1own n ALA 3 Ca 0.00 -3.53 -0.24 0.00 0.00 0.00 0.00 53.44 49.67 1own n ALA 3 Cb 0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 19.45 18.62 1own n ALA 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1own s PRO 4 N -0.53 3.35 -0.14 0.00 0.04 -1.26 -4.50 135.00 131.95 1own s PRO 4 Ca 0.32 -0.25 -0.04 0.00 0.04 0.00 0.00 61.00 61.07 1own s PRO 4 Cb 0.04 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1own s PRO 4 CO -0.18 -0.09 -0.01 0.42 0.04 0.00 0.00 177.00 177.18 1own s ILE 5 N -2.51 4.16 -0.15 0.56 1.09 -0.69 -1.11 121.20 122.55 1own s ILE 5 Ca 0.45 -0.27 -0.09 0.00 -1.10 0.00 0.00 60.65 59.63 1own s ILE 5 Cb -0.10 -2.81 -0.05 0.00 -1.06 0.00 0.00 42.46 38.44 1own s ILE 5 CO 0.39 0.51 0.16 -0.76 -0.10 0.00 0.00 174.94 175.14 1own s LEU 6 N 0.06 4.30 -0.22 2.97 1.43 -0.47 -1.62 118.68 125.13 1own s LEU 6 Ca 0.01 0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1own s LEU 6 Cb -0.13 -2.12 -0.00 0.00 0.03 0.00 0.00 46.19 43.96 1own s LEU 6 CO 0.02 0.28 -0.06 0.12 0.23 0.00 0.00 176.35 176.94 1own s PHE 7 N -0.30 2.95 -0.46 0.29 5.36 -0.28 -0.56 117.98 124.97 1own s PHE 7 Ca 0.12 -1.06 -0.21 0.00 -0.96 0.00 0.00 56.93 54.83 1own s PHE 7 Cb -0.12 -2.08 0.03 0.00 -0.34 0.00 0.00 43.02 40.51 1own s PHE 7 CO 0.02 -0.59 0.67 -0.46 -1.46 0.00 0.00 175.22 173.40 1own s TRP 8 N 1.45 3.03 0.17 10.12 -0.00 0.68 -1.58 118.94 132.81 1own s TRP 8 Ca 0.05 -0.16 -0.24 0.00 -0.00 0.00 0.00 56.10 55.76 1own s TRP 8 Cb -0.14 -3.46 -0.08 0.00 -0.00 0.00 0.00 33.47 29.79 1own s TRP 8 CO -0.04 -0.95 0.75 -1.01 -0.00 0.00 0.00 176.95 175.70 1own s HIS 9 N 2.89 3.86 0.00 5.86 3.76 -0.29 -4.46 115.29 126.91 1own s HIS 9 Ca 0.22 1.58 0.00 0.00 -0.15 0.00 0.00 55.06 56.70 1own s HIS 9 Cb -0.15 -2.73 0.00 0.00 1.11 0.00 0.00 32.58 30.81 1own s HIS 9 CO 0.17 0.50 0.00 0.54 -0.85 0.00 0.00 174.74 175.10 1own n ARG 10 N 1.48 0.00 -0.68 1.40 3.00 -1.26 -4.51 116.66 116.09 1own n ARG 10 Ca -0.06 0.00 0.01 0.00 -0.01 0.00 0.00 57.85 57.79 1own n ARG 10 Cb 0.49 0.00 0.20 0.00 0.00 0.00 0.00 32.46 33.15 1own n ARG 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1own n ARG 11 N -2.23 1.76 -3.07 5.56 5.12 -1.26 -4.69 116.66 117.85 1own n ARG 11 Ca 0.00 -3.19 -0.19 0.00 -1.93 0.00 0.00 57.85 52.55 1own n ARG 11 Cb 0.00 -1.73 -0.02 0.00 -1.16 0.00 0.00 32.46 29.55 1own n ARG 11 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1own n ASP 12 N -1.11 1.59 -4.12 0.55 5.75 -1.16 -2.07 116.55 115.99 1own n ASP 12 Ca 0.26 -3.10 -0.42 0.00 -0.01 0.00 0.00 54.79 51.52 1own n ASP 12 Cb 0.88 -0.60 -0.01 0.00 -1.03 0.00 0.00 41.12 40.36 1own n ASP 12 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1own n LEU 13 N 0.14 5.63 -3.55 -2.12 4.77 -0.25 -4.81 117.00 116.81 1own n LEU 13 Ca 0.25 -3.89 -0.08 0.00 -0.03 0.00 0.00 56.01 52.26 1own n LEU 13 Cb 0.63 -1.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.05 1own n LEU 13 CO 0.24 0.42 0.66 0.00 -1.33 0.00 0.00 177.39 177.38 1own s ARG 14 N 3.97 0.97 -0.12 3.23 1.70 -1.25 -4.24 118.95 123.20 1own s ARG 14 Ca 0.52 -0.41 0.20 0.00 -0.47 0.00 0.00 55.73 55.57 1own s ARG 14 Cb 0.09 0.41 -0.29 0.00 -0.57 0.00 0.00 34.95 34.59 1own s ARG 14 CO 0.01 -0.43 0.27 -0.11 -1.08 0.00 0.00 175.30 173.96 1own n LEU 15 N -0.31 0.02 -4.91 -1.89 7.94 -1.26 -4.92 117.00 111.66 1own n LEU 15 Ca -0.09 0.01 -0.27 0.00 -1.11 0.00 0.00 56.01 54.55 1own n LEU 15 Cb 0.62 0.26 0.02 0.00 0.53 0.00 0.00 43.42 44.85 1own n LEU 15 CO 0.11 0.26 0.51 -0.94 -1.11 0.00 0.00 177.39 176.23 1own s SER 16 N -5.05 5.88 -0.59 1.96 1.04 -1.26 -4.26 113.70 111.42 1own s SER 16 Ca -0.09 0.84 -0.16 0.00 0.48 0.00 0.00 55.95 57.01 1own s SER 16 Cb 0.10 -1.96 0.02 0.00 0.10 0.00 0.00 66.02 64.28 1own s SER 16 CO 0.87 -0.87 0.33 -0.67 0.98 0.00 0.00 173.24 173.88 1own n ASP 17 N -2.47 -2.05 -3.95 7.02 2.03 -1.22 -4.76 116.55 111.14 1own n ASP 17 Ca 0.03 -0.64 -0.31 0.00 0.52 0.00 0.00 54.79 54.39 1own n ASP 17 Cb 0.56 -0.78 -0.15 0.00 -0.72 0.00 0.00 41.12 40.03 1own n ASP 17 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1own s ASN 18 N -4.13 4.32 0.10 1.67 3.84 -1.26 -4.61 114.94 114.86 1own s ASN 18 Ca 0.23 -1.67 -0.24 0.00 0.21 0.00 0.00 52.86 51.39 1own s ASN 18 Cb -0.13 -1.35 -0.08 0.00 -0.55 0.00 0.00 41.25 39.15 1own s ASN 18 CO 0.48 -0.32 1.40 0.40 -2.79 0.00 0.00 177.10 176.28 1own h ILE 19 N 6.63 0.00 -0.52 -5.21 5.03 -1.90 0.13 117.51 121.68 1own h ILE 19 Ca -0.12 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.65 1own h ILE 19 Cb 1.04 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 34.79 1own h ILE 19 CO 0.47 0.00 0.30 1.23 -0.68 0.00 0.00 178.15 179.47 1own h GLY 20 N -0.25 0.73 0.97 5.37 0.00 -1.87 -0.54 103.07 107.49 1own h GLY 20 Ca 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1own h GLY 20 CO -0.48 0.18 0.21 -2.00 0.00 0.00 0.00 176.54 174.45 1own h LEU 21 N 0.60 0.47 -0.66 3.11 5.85 -1.88 -0.74 115.31 122.05 1own h LEU 21 Ca 0.21 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1own h LEU 21 Cb 0.04 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1own h LEU 21 CO -0.11 0.42 0.36 0.00 -0.34 0.00 0.00 178.44 178.77 1own h ALA 22 N 1.07 0.84 -0.83 1.25 0.00 -0.44 -0.48 119.26 120.68 1own h ALA 22 Ca 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1own h ALA 22 Cb 0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1own h ALA 22 CO -0.02 0.36 0.40 0.00 0.00 0.00 0.00 179.25 179.98 1own h ALA 23 N 1.18 1.07 -0.59 0.00 0.00 -0.81 -2.48 119.26 117.63 1own h ALA 23 Ca 0.23 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1own h ALA 23 Cb 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1own h ALA 23 CO -0.04 0.64 0.09 0.00 0.00 0.00 0.00 179.25 179.94 1own h ALA 24 N 1.21 0.79 0.00 0.00 0.00 -0.58 -2.81 119.26 117.87 1own h ALA 24 Ca 0.29 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1own h ALA 24 Cb 0.12 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1own h ALA 24 CO -0.04 0.54 -0.15 -0.09 0.00 0.00 0.00 179.25 179.52 1own h ARG 25 N 0.88 0.00 0.00 0.00 9.65 -0.76 0.06 114.38 124.22 1own h ARG 25 Ca 0.18 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 1own h ARG 25 Cb 0.43 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 1own h ARG 25 CO 0.01 0.15 0.00 0.00 2.80 0.00 0.00 179.97 182.93 1own n ALA 26 N -2.44 1.94 -0.05 2.80 0.00 -0.96 -3.05 120.51 118.75 1own n ALA 26 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1own n ALA 26 Cb 0.23 -1.40 -0.16 0.00 0.00 0.00 0.00 19.45 18.12 1own n ALA 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1own n GLN 27 N -2.04 0.76 -3.60 0.00 1.13 -0.08 -5.02 117.38 108.52 1own n GLN 27 Ca 0.04 -0.10 -0.12 0.00 -1.94 0.00 0.00 57.00 54.89 1own n GLN 27 Cb 0.30 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.09 1own n GLN 27 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1own s SER 28 N -4.86 -0.51 0.19 1.08 0.15 -0.66 -5.01 113.70 104.08 1own s SER 28 Ca -0.08 0.83 0.24 0.00 0.70 0.00 0.00 55.95 57.63 1own s SER 28 Cb 0.09 0.79 0.30 0.00 -1.71 0.00 0.00 66.02 65.49 1own s SER 28 CO 0.82 -0.28 1.33 0.00 1.20 0.00 0.00 173.24 176.31 1own h ALA 29 N 3.75 0.65 -0.31 5.45 0.00 -1.87 -3.37 119.26 123.56 1own h ALA 29 Ca -0.26 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 53.94 1own h ALA 29 Cb 1.16 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1own h ALA 29 CO 0.19 0.00 3.07 0.94 0.00 0.00 0.00 179.25 183.45 1own n GLN 30 N -2.39 3.83 -3.43 0.00 7.27 -1.26 0.42 117.38 121.83 1own n GLN 30 Ca 0.03 -2.82 -0.41 0.00 0.07 0.00 0.00 57.00 53.87 1own n GLN 30 Cb 0.48 -2.84 -0.10 0.00 2.41 0.00 0.00 30.24 30.19 1own n GLN 30 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1own s LEU 31 N -0.25 4.48 -0.17 1.69 2.96 -1.26 -1.70 118.68 124.42 1own s LEU 31 Ca 0.58 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 54.18 1own s LEU 31 Cb 0.16 -2.30 -0.00 0.00 0.50 0.00 0.00 46.19 44.55 1own s LEU 31 CO -0.07 -0.33 -0.13 -0.63 -1.32 0.00 0.00 176.35 173.88 1own s ILE 32 N 1.96 2.83 0.69 6.68 1.09 -0.64 -4.67 121.20 129.14 1own s ILE 32 Ca 0.11 -0.70 -0.10 0.00 -1.10 0.00 0.00 60.65 58.86 1own s ILE 32 Cb -0.17 -2.22 0.03 0.00 -1.06 0.00 0.00 42.46 39.04 1own s ILE 32 CO 0.11 0.49 1.05 -0.83 -0.10 0.00 0.00 174.94 175.67 1own s GLY 33 N 1.01 1.62 0.05 6.18 0.00 -0.86 -1.13 107.32 114.19 1own s GLY 33 Ca -0.01 -0.54 -0.27 0.00 0.00 0.00 0.00 44.72 43.89 1own s GLY 33 CO -0.02 -0.18 0.64 0.48 0.00 0.00 0.00 173.10 174.02 1own s LEU 34 N -5.28 -0.59 -0.06 0.66 2.34 -0.61 -0.67 118.68 114.46 1own s LEU 34 Ca 0.58 0.38 -0.03 0.00 0.06 0.00 0.00 54.13 55.11 1own s LEU 34 Cb -0.11 2.55 0.03 0.00 -0.56 0.00 0.00 46.19 48.10 1own s LEU 34 CO 0.49 -0.77 0.14 0.12 -1.06 0.00 0.00 176.35 175.27 1own s PHE 35 N -2.38 -0.16 -0.22 3.48 5.36 0.11 -1.14 117.98 123.04 1own s PHE 35 Ca -0.05 0.44 -0.02 0.00 -0.96 0.00 0.00 56.93 56.33 1own s PHE 35 Cb -0.00 -0.04 0.00 0.00 -0.34 0.00 0.00 43.02 42.64 1own s PHE 35 CO -0.01 -0.13 -0.08 0.00 -1.46 0.00 0.00 175.22 173.54 1own s LEU 37 N 1.41 3.27 -0.35 0.00 1.43 0.23 -4.93 118.68 119.73 1own s LEU 37 Ca 0.05 -0.03 -0.23 0.00 -1.03 0.00 0.00 54.13 52.89 1own s LEU 37 Cb -0.14 -2.71 0.01 0.00 0.03 0.00 0.00 46.19 43.38 1own s LEU 37 CO -0.06 -1.93 0.75 -0.62 0.23 0.00 0.00 176.35 174.72 1own s ASP 38 N 5.00 6.54 0.40 2.29 -1.08 -1.26 -1.52 116.67 127.04 1own s ASP 38 Ca 0.48 0.36 0.14 0.00 -0.52 0.00 0.00 52.55 53.01 1own s ASP 38 Cb -0.10 -2.38 0.98 0.00 -1.46 0.00 0.00 42.92 39.96 1own s ASP 38 CO 0.19 -0.68 1.88 -0.65 0.52 0.00 0.00 175.17 176.44 1own h PRO 39 N 8.41 0.49 0.00 4.34 0.11 -1.93 -0.20 132.00 143.22 1own h PRO 39 Ca -0.25 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 1own h PRO 39 Cb 1.10 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1own h PRO 39 CO 0.89 0.33 -0.07 1.96 -0.21 0.00 0.00 178.00 180.89 1own h GLN 40 N 0.51 0.00 0.00 1.05 4.20 -1.92 -0.32 115.11 118.62 1own h GLN 40 Ca 0.43 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.80 1own h GLN 40 Cb 0.90 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.64 1own h GLN 40 CO -0.17 0.07 -1.86 -0.89 -0.67 0.00 0.00 178.83 175.31 1own n ILE 41 N -3.75 1.54 -0.13 2.54 -0.00 -0.24 -4.00 119.36 115.32 1own n ILE 41 Ca -0.02 -0.22 -0.04 0.00 -0.00 0.00 0.00 62.75 62.47 1own n ILE 41 Cb 0.18 -1.95 0.16 0.00 -0.00 0.00 0.00 39.64 38.03 1own n ILE 41 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1own h LEU 42 N -0.93 0.79 -0.55 1.39 3.38 -1.09 -2.78 115.31 115.51 1own h LEU 42 Ca -0.51 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1own h LEU 42 Cb 1.48 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1own h LEU 42 CO -0.29 0.82 -0.03 0.00 0.09 0.00 0.00 178.44 179.03 1own n GLN 43 N -4.24 1.29 -1.98 1.13 1.13 -0.14 -4.88 117.38 109.69 1own n GLN 43 Ca 0.03 -0.55 -0.41 0.00 -1.94 0.00 0.00 57.00 54.13 1own n GLN 43 Cb 0.27 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.12 1own n GLN 43 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1own s SER 44 N -2.09 6.59 0.24 1.08 0.15 -1.05 -4.87 113.70 113.75 1own s SER 44 Ca 0.39 2.83 0.20 0.00 0.70 0.00 0.00 55.95 60.07 1own s SER 44 Cb 0.21 -2.65 0.94 0.00 -1.71 0.00 0.00 66.02 62.81 1own s SER 44 CO 0.37 -0.69 1.61 0.00 1.20 0.00 0.00 173.24 175.74 1own n ALA 45 N 0.93 1.38 0.20 5.45 0.00 -1.26 -1.73 120.51 125.47 1own n ALA 45 Ca 0.02 0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.66 1own n ALA 45 Cb 0.40 -1.32 0.26 0.00 0.00 0.00 0.00 19.45 18.79 1own n ALA 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1own n ASP 46 N -2.13 3.07 -4.72 0.00 8.00 -1.26 -4.84 116.55 114.67 1own n ASP 46 Ca 0.01 -1.99 -0.40 0.00 0.71 0.00 0.00 54.79 53.11 1own n ASP 46 Cb 0.13 -0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 40.82 1own n ASP 46 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1own s MET 47 N -1.25 4.47 -0.08 -1.24 -2.45 -0.71 -3.92 119.30 114.12 1own s MET 47 Ca 0.38 1.01 -0.17 0.00 -1.25 0.00 0.00 55.69 55.66 1own s MET 47 Cb 0.20 -3.43 -0.05 0.00 1.25 0.00 0.00 34.83 32.80 1own s MET 47 CO 0.26 0.08 0.46 0.00 1.05 0.00 0.00 175.02 176.87 1own s ALA 48 N 0.69 3.54 0.27 4.11 0.00 -1.22 -4.77 121.76 124.39 1own s ALA 48 Ca 0.40 -0.20 -0.00 0.00 0.00 0.00 0.00 51.96 52.17 1own s ALA 48 Cb -0.19 -2.57 0.50 0.00 0.00 0.00 0.00 23.12 20.86 1own s ALA 48 CO 0.21 0.14 1.84 -1.35 0.00 0.00 0.00 175.76 176.60 1own h PRO 49 N 6.12 0.99 -0.44 0.00 0.11 -1.91 -1.05 132.00 135.81 1own h PRO 49 Ca -0.44 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1own h PRO 49 Cb 1.19 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1own h PRO 49 CO 0.72 0.66 0.09 0.00 -0.21 0.00 0.00 178.00 179.25 1own h ALA 50 N 1.51 1.32 -0.35 -0.75 0.00 -1.88 -1.23 119.26 117.88 1own h ALA 50 Ca 0.47 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 1own h ALA 50 Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1own h ALA 50 CO -0.24 0.48 -0.41 -0.09 0.00 0.00 0.00 179.25 178.99 1own h ARG 51 N 0.65 0.88 -0.56 0.00 2.43 -1.44 -0.87 114.38 115.48 1own h ARG 51 Ca 0.15 -0.47 -0.09 0.00 -0.81 0.00 0.00 59.98 58.76 1own h ARG 51 Cb 0.28 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1own h ARG 51 CO 0.00 1.12 0.00 0.28 -1.51 0.00 0.00 179.97 179.86 1own h VAL 52 N 0.71 1.26 -0.23 0.20 2.07 -0.88 0.12 116.25 119.51 1own h VAL 52 Ca 0.05 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1own h VAL 52 Cb 0.99 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1own h VAL 52 CO 0.10 0.39 0.07 0.00 0.02 0.00 0.00 177.57 178.15 1own h ALA 53 N 1.11 0.30 -0.39 1.67 0.00 -1.03 0.10 119.26 121.01 1own h ALA 53 Ca 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1own h ALA 53 Cb 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1own h ALA 53 CO 0.03 -0.07 0.20 -0.92 0.00 0.00 0.00 179.25 178.48 1own h TYR 54 N 0.20 0.55 -0.00 0.00 3.20 -0.99 -1.41 116.97 118.52 1own h TYR 54 Ca 0.07 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.94 1own h TYR 54 Cb 0.24 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1own h TYR 54 CO 0.00 0.45 -0.11 1.25 -1.64 0.00 0.00 178.16 178.11 1own h LEU 55 N 0.50 -0.31 -1.23 2.82 5.85 -0.79 -1.03 115.31 121.12 1own h LEU 55 Ca 0.14 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.95 1own h LEU 55 Cb 0.09 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1own h LEU 55 CO -0.02 -0.16 0.54 -0.61 -0.34 0.00 0.00 178.44 177.85 1own h GLN 56 N -0.18 0.95 -0.53 1.25 -0.00 -0.84 0.47 115.11 116.23 1own h GLN 56 Ca 0.04 -0.06 -0.08 0.00 -0.00 0.00 0.00 58.65 58.55 1own h GLN 56 Cb 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 27.48 27.48 1own h GLN 56 CO -0.11 0.63 -0.01 0.78 0.00 0.00 0.00 178.83 180.12 1own h GLY 57 N 0.98 0.97 1.09 2.39 0.00 -0.73 -1.60 103.07 106.18 1own h GLY 57 Ca 0.34 -0.69 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 1own h GLY 57 CO -0.11 0.63 -0.10 0.00 0.00 0.00 0.00 176.54 176.97 1own h LEU 59 N 0.92 1.07 -0.23 0.00 3.38 -0.75 -1.17 115.31 118.52 1own h LEU 59 Ca 0.14 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1own h LEU 59 Cb 0.67 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1own h LEU 59 CO 0.05 1.01 -0.04 1.56 0.09 0.00 0.00 178.44 181.11 1own h GLN 60 N 1.08 0.02 -0.32 1.13 4.20 -1.16 -0.27 115.11 119.80 1own h GLN 60 Ca 0.23 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 1own h GLN 60 Cb 0.35 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1own h GLN 60 CO -0.00 0.01 0.09 1.49 -0.67 0.00 0.00 178.83 179.75 1own h GLU 61 N 0.02 0.50 -0.78 1.46 4.81 -1.33 -2.72 114.58 116.54 1own h GLU 61 Ca 0.11 -0.11 0.16 0.00 -0.13 0.00 0.00 59.36 59.39 1own h GLU 61 Cb 0.16 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 1own h GLU 61 CO -0.23 0.55 0.52 1.25 -0.73 0.00 0.00 179.01 180.37 1own h LEU 62 N 0.35 0.37 -0.56 1.64 5.85 -0.59 0.11 115.31 122.49 1own h LEU 62 Ca 0.10 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1own h LEU 62 Cb 0.27 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1own h LEU 62 CO -0.00 0.19 0.24 1.56 -0.34 0.00 0.00 178.44 180.08 1own h GLN 63 N 0.39 0.84 -0.36 1.25 4.20 -0.74 -2.14 115.11 118.55 1own h GLN 63 Ca 0.38 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.91 1own h GLN 63 Cb 0.93 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1own h GLN 63 CO -0.12 0.71 0.06 1.96 -0.67 0.00 0.00 178.83 180.77 1own h GLN 64 N 0.77 0.59 -0.47 1.46 4.20 -0.76 -2.06 115.11 118.85 1own h GLN 64 Ca 0.19 -0.16 0.05 0.00 0.06 0.00 0.00 58.65 58.79 1own h GLN 64 Cb 0.18 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 1own h GLN 64 CO -0.02 0.67 0.21 0.00 -0.67 0.00 0.00 178.83 179.02 1own h ARG 65 N 0.43 0.40 -0.55 1.46 2.47 -0.97 0.20 114.38 117.82 1own h ARG 65 Ca 0.11 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.76 1own h ARG 65 Cb 0.36 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 1own h ARG 65 CO 0.01 0.27 0.18 1.88 0.56 0.00 0.00 179.97 182.87 1own h TYR 66 N 0.41 0.87 -0.59 3.04 0.05 -1.34 0.26 116.97 119.68 1own h TYR 66 Ca 0.21 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.91 1own h TYR 66 Cb 0.16 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.62 1own h TYR 66 CO -0.12 0.73 0.36 0.37 -1.05 0.00 0.00 178.16 178.45 1own h GLN 67 N 0.76 0.79 0.00 4.88 -0.00 -0.64 -1.43 115.11 119.47 1own h GLN 67 Ca 0.18 -0.06 -0.09 0.00 -0.00 0.00 0.00 58.65 58.67 1own h GLN 67 Cb 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 27.48 27.56 1own h GLN 67 CO -0.01 0.55 -0.43 1.96 0.00 0.00 0.00 178.83 180.91 1own h GLN 68 N 0.79 0.00 0.00 1.69 4.20 -0.37 -2.86 115.11 118.56 1own h GLN 68 Ca 0.21 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.85 1own h GLN 68 Cb -0.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1own h GLN 68 CO -0.04 0.43 -0.35 0.00 -0.67 0.00 0.00 178.83 178.19 1own h ALA 69 N 1.57 0.90 0.00 3.87 0.00 -0.26 -3.48 119.26 121.86 1own h ALA 69 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1own h ALA 69 Cb 0.83 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1own h ALA 69 CO 0.06 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.16 1own n GLY 70 N 0.56 1.01 0.00 0.00 0.00 -0.71 -0.77 105.19 105.28 1own n GLY 70 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1own n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1own n SER 71 N 0.00 0.00 -3.76 1.61 3.41 -0.62 -2.55 113.62 111.71 1own n SER 71 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1own n SER 71 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1own n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1own s ARG 72 N 4.10 1.77 -0.27 4.33 1.70 -1.26 -3.50 118.95 125.83 1own s ARG 72 Ca 0.00 -1.00 -0.06 0.00 -0.47 0.00 0.00 55.73 54.20 1own s ARG 72 Cb 0.00 0.59 0.00 0.00 -0.57 0.00 0.00 34.95 34.97 1own s ARG 72 CO 0.00 -0.81 0.04 -1.17 -1.08 0.00 0.00 175.30 172.27 1own s LEU 73 N -2.94 3.52 0.21 -1.89 2.96 -1.26 -2.02 118.68 117.26 1own s LEU 73 Ca 0.12 -0.59 -0.26 0.00 -0.22 0.00 0.00 54.13 53.18 1own s LEU 73 Cb -0.05 -1.83 -0.09 0.00 0.50 0.00 0.00 46.19 44.72 1own s LEU 73 CO 0.07 -0.13 0.84 -0.76 -1.32 0.00 0.00 176.35 175.05 1own s LEU 74 N 1.49 4.55 -0.08 -0.68 1.43 0.15 -4.90 118.68 120.65 1own s LEU 74 Ca 0.03 1.73 0.05 0.00 -1.03 0.00 0.00 54.13 54.91 1own s LEU 74 Cb -0.16 -3.51 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 1own s LEU 74 CO 0.01 0.14 -0.23 -0.76 0.23 0.00 0.00 176.35 175.74 1own s LEU 75 N -1.37 2.18 0.09 1.79 1.43 -1.26 -0.71 118.68 120.83 1own s LEU 75 Ca 0.40 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1own s LEU 75 Cb -0.23 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 1own s LEU 75 CO 0.27 0.22 -0.06 -0.76 0.23 0.00 0.00 176.35 176.24 1own s LEU 76 N 0.01 2.49 -0.17 1.79 1.02 -0.55 -1.36 118.68 121.92 1own s LEU 76 Ca -0.08 -0.98 -0.05 0.00 0.02 0.00 0.00 54.13 53.04 1own s LEU 76 Cb -0.15 -0.04 0.06 0.00 0.02 0.00 0.00 46.19 46.08 1own s LEU 76 CO 0.05 -0.47 0.08 -1.58 0.02 0.00 0.00 176.35 174.45 1own s GLN 77 N -3.72 0.15 0.00 1.70 0.74 -1.26 0.75 119.66 118.01 1own s GLN 77 Ca 0.10 -0.11 0.00 0.00 0.05 0.00 0.00 55.36 55.40 1own s GLN 77 Cb 0.05 -1.80 0.00 0.00 1.10 0.00 0.00 33.01 32.36 1own s GLN 77 CO -0.05 -0.65 0.00 0.41 -0.55 0.00 0.00 175.29 174.45 1own n GLY 78 N 5.25 -0.91 3.67 2.59 0.00 -0.58 -4.95 105.19 110.25 1own n GLY 78 Ca -0.07 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 1own n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1own s ASP 79 N -4.00 6.92 0.18 1.61 2.15 -1.26 -4.24 116.67 118.02 1own s ASP 79 Ca 0.00 1.82 -0.14 0.00 0.43 0.00 0.00 52.55 54.66 1own s ASP 79 Cb 0.00 -2.54 0.15 0.00 -0.30 0.00 0.00 42.92 40.23 1own s ASP 79 CO 0.00 -0.75 1.73 -0.65 -0.17 0.00 0.00 175.17 175.33 1own h PRO 80 N 8.25 0.27 0.00 4.34 0.11 -1.96 -0.63 132.00 142.37 1own h PRO 80 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1own h PRO 80 Cb 1.13 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1own h PRO 80 CO 0.95 0.18 0.00 0.00 -0.21 0.00 0.00 178.00 178.92 1own n GLN 81 N -5.06 0.07 -0.12 1.05 10.64 -1.26 -1.01 117.38 121.70 1own n GLN 81 Ca 0.04 0.37 -0.22 0.00 -1.83 0.00 0.00 57.00 55.36 1own n GLN 81 Cb 0.20 -1.66 -0.07 0.00 -0.86 0.00 0.00 30.24 27.85 1own n GLN 81 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1own n HIS 82 N -1.79 0.01 -0.14 2.61 8.25 -0.99 -4.46 115.22 118.70 1own n HIS 82 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.38 1own n HIS 82 Cb 0.15 -0.82 -0.01 0.00 1.12 0.00 0.00 29.99 30.43 1own n HIS 82 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1own h LEU 83 N -1.00 0.74 -0.28 2.41 3.38 -1.06 -2.74 115.31 116.76 1own h LEU 83 Ca -0.45 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.19 1own h LEU 83 Cb 1.39 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1own h LEU 83 CO -0.27 0.89 0.11 0.40 0.09 0.00 0.00 178.44 179.66 1own h ILE 84 N 0.58 1.17 -0.41 1.22 5.03 -1.29 -0.56 117.51 123.25 1own h ILE 84 Ca 0.11 -0.52 -0.09 0.00 -0.12 0.00 0.00 64.86 64.25 1own h ILE 84 Cb 0.52 1.00 -0.02 0.00 -3.03 0.00 0.00 36.82 35.29 1own h ILE 84 CO 0.03 0.18 -0.10 -0.65 -0.68 0.00 0.00 178.15 176.93 1own h PRO 85 N 0.30 0.73 -0.50 2.37 0.11 -1.73 -0.57 132.00 132.72 1own h PRO 85 Ca 0.09 -0.23 -0.02 0.00 0.11 0.00 0.00 66.00 65.95 1own h PRO 85 Cb 0.17 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 1own h PRO 85 CO -0.01 0.81 0.22 1.96 -0.21 0.00 0.00 178.00 180.77 1own h GLN 86 N 0.66 0.73 -0.17 1.05 4.20 -1.31 0.12 115.11 120.39 1own h GLN 86 Ca 0.12 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1own h GLN 86 Cb 0.55 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1own h GLN 86 CO 0.03 0.62 0.05 1.25 -0.67 0.00 0.00 178.83 180.11 1own h LEU 87 N 0.66 0.26 -0.85 1.46 5.85 -0.84 -0.23 115.31 121.62 1own h LEU 87 Ca 0.17 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1own h LEU 87 Cb 0.15 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1own h LEU 87 CO -0.02 0.41 0.56 0.00 -0.34 0.00 0.00 178.44 179.05 1own h ALA 88 N 0.86 1.07 -0.08 1.25 0.00 -0.92 -1.20 119.26 120.24 1own h ALA 88 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1own h ALA 88 Cb 0.25 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1own h ALA 88 CO -0.00 0.48 0.02 0.37 0.00 0.00 0.00 179.25 180.11 1own h GLN 89 N 1.14 0.14 -0.04 0.00 4.15 -0.79 0.19 115.11 119.90 1own h GLN 89 Ca 0.31 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.71 1own h GLN 89 Cb -0.13 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 1own h GLN 89 CO -0.07 0.33 0.05 1.96 -1.93 0.00 0.00 178.83 179.17 1own h GLN 90 N -0.08 0.00 -0.03 1.69 1.08 -0.72 0.39 115.11 117.44 1own h GLN 90 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1own h GLN 90 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1own h GLN 90 CO 0.00 0.00 -0.13 -0.11 -0.95 0.00 0.00 178.83 177.64 1own n LEU 91 N -3.72 2.69 -4.05 1.46 7.94 -0.48 -4.80 117.00 116.04 1own n LEU 91 Ca -0.02 -0.93 -0.28 0.00 -1.11 0.00 0.00 56.01 53.67 1own n LEU 91 Cb 0.13 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.05 1own n LEU 91 CO 0.26 0.46 -0.24 1.67 -1.11 0.00 0.00 177.39 178.43 1own n GLN 92 N 0.94 -2.93 -1.76 1.96 7.27 0.45 -4.53 117.38 118.78 1own n GLN 92 Ca 0.12 0.35 -0.42 0.00 0.07 0.00 0.00 57.00 57.13 1own n GLN 92 Cb 0.55 -4.48 -0.02 0.00 2.41 0.00 0.00 30.24 28.70 1own n GLN 92 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1own s ALA 93 N -3.92 3.81 0.36 1.69 0.00 0.08 -4.42 121.76 119.36 1own s ALA 93 Ca 0.12 1.58 0.24 0.00 0.00 0.00 0.00 51.96 53.89 1own s ALA 93 Cb -0.06 -3.66 1.22 0.00 0.00 0.00 0.00 23.12 20.61 1own s ALA 93 CO 0.91 -0.96 1.99 1.49 0.00 0.00 0.00 175.76 179.18 1own h GLU 94 N 5.51 0.00 0.00 0.00 4.81 -1.35 -3.44 114.58 120.12 1own h GLU 94 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1own h GLU 94 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1own h GLU 94 CO 0.85 0.18 0.00 0.00 -0.73 0.00 0.00 179.01 179.31 1own n ALA 95 N -2.31 0.00 -3.63 2.92 0.00 -1.25 -3.99 120.51 112.25 1own n ALA 95 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.13 1own n ALA 95 Cb 0.30 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.58 1own n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1own s VAL 96 N -2.00 1.58 0.22 0.00 1.01 0.02 -1.37 120.40 119.87 1own s VAL 96 Ca 0.00 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.37 1own s VAL 96 Cb 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1own s VAL 96 CO 0.00 0.46 -0.00 -0.31 0.00 0.00 0.00 175.10 175.24 1own s TYR 97 N 0.91 2.76 -0.14 5.22 1.51 0.28 -1.42 117.35 126.47 1own s TYR 97 Ca -0.08 -0.19 -0.34 0.00 -1.01 0.00 0.00 57.07 55.46 1own s TYR 97 Cb -0.15 -1.28 0.13 0.00 -0.11 0.00 0.00 41.96 40.55 1own s TYR 97 CO -0.01 0.57 1.20 1.67 -1.11 0.00 0.00 175.55 177.87 1own s TRP 98 N -2.04 -0.13 -0.06 2.71 -2.14 -0.74 -0.23 118.94 116.31 1own s TRP 98 Ca 0.29 0.06 -0.13 0.00 2.66 0.00 0.00 56.10 58.98 1own s TRP 98 Cb -0.08 0.52 -0.05 0.00 -3.10 0.00 0.00 33.47 30.77 1own s TRP 98 CO 0.19 -0.25 0.33 -0.80 -2.66 0.00 0.00 176.95 173.76 1own s ASN 99 N -2.35 6.64 0.57 -2.66 0.01 -1.26 -1.70 114.94 114.20 1own s ASN 99 Ca 0.10 0.76 -0.21 0.00 -0.71 0.00 0.00 52.86 52.80 1own s ASN 99 Cb -0.00 -2.20 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 1own s ASN 99 CO -0.05 0.29 1.34 -1.10 -1.51 0.00 0.00 177.10 176.07 1own s GLN 100 N -0.69 2.99 0.30 -0.60 -0.21 0.27 -4.88 119.66 116.83 1own s GLN 100 Ca 0.20 2.19 0.06 0.00 0.02 0.00 0.00 55.36 57.84 1own s GLN 100 Cb -0.15 -2.15 -0.02 0.00 1.00 0.00 0.00 33.01 31.69 1own s GLN 100 CO 0.09 -1.30 0.36 0.34 -2.12 0.00 0.00 175.29 172.67 1own s ASP 101 N -1.07 5.85 -0.01 5.90 -1.08 -1.26 -4.78 116.67 120.23 1own s ASP 101 Ca 0.74 -0.19 0.09 0.00 -0.52 0.00 0.00 52.55 52.67 1own s ASP 101 Cb -0.40 -1.37 -0.11 0.00 -1.46 0.00 0.00 42.92 39.58 1own s ASP 101 CO 0.46 -0.26 0.28 2.30 0.52 0.00 0.00 175.17 178.47 1own n ILE 102 N -1.45 0.00 -2.90 4.11 -0.00 -1.26 -4.77 119.36 113.09 1own n ILE 102 Ca -0.04 -0.25 -0.37 0.00 -0.00 0.00 0.00 62.75 62.09 1own n ILE 102 Cb 0.58 0.65 -0.06 0.00 -0.00 0.00 0.00 39.64 40.81 1own n ILE 102 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 1own s GLU 103 N -2.21 4.47 0.20 6.28 2.02 -1.26 -3.92 118.70 124.28 1own s GLU 103 Ca 0.00 1.16 -0.16 0.00 0.02 0.00 0.00 54.97 55.99 1own s GLU 103 Cb 0.06 -2.85 0.19 0.00 0.10 0.00 0.00 34.13 31.63 1own s GLU 103 CO 0.36 0.33 1.62 -1.35 0.02 0.00 0.00 175.26 176.24 1own h PRO 104 N 3.30 -0.05 0.12 0.39 0.11 -1.92 -1.01 132.00 132.93 1own h PRO 104 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1own h PRO 104 Cb 1.19 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1own h PRO 104 CO 0.65 -0.04 -0.06 -0.92 -0.21 0.00 0.00 178.00 177.43 1own h TYR 105 N -0.06 -0.14 -0.86 0.65 3.20 -1.99 -1.67 116.97 116.09 1own h TYR 105 Ca 0.27 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 1own h TYR 105 Cb 0.47 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 1own h TYR 105 CO -0.52 -0.06 0.46 0.78 -1.64 0.00 0.00 178.16 177.18 1own h GLY 106 N -0.19 1.29 1.10 1.82 0.00 -1.88 -0.82 103.07 104.40 1own h GLY 106 Ca -0.02 -0.60 -0.14 0.00 0.00 0.00 0.00 47.33 46.58 1own h GLY 106 CO 0.03 0.57 -0.28 3.21 0.00 0.00 0.00 176.54 180.06 1own h ARG 107 N 1.20 0.94 -0.11 4.80 3.08 -1.13 0.51 114.38 123.68 1own h ARG 107 Ca 0.30 -0.45 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1own h ARG 107 Cb 0.05 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1own h ARG 107 CO -0.05 1.11 0.03 -0.44 -1.07 0.00 0.00 179.97 179.56 1own h ASP 108 N 0.78 0.16 -0.16 7.04 3.32 -1.09 -1.18 116.42 125.29 1own h ASP 108 Ca 0.09 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 56.97 1own h ASP 108 Cb 0.87 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.34 1own h ASP 108 CO 0.08 0.31 -0.10 -0.09 -1.72 0.00 0.00 179.24 177.72 1own h ARG 109 N -0.01 -0.09 -0.71 3.56 2.43 -1.08 -2.23 114.38 116.25 1own h ARG 109 Ca 0.03 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.30 1own h ARG 109 Cb 0.21 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.72 1own h ARG 109 CO -0.00 -0.06 0.37 -0.44 -1.51 0.00 0.00 179.97 178.33 1own h ASP 110 N -0.10 0.50 -0.59 -3.80 3.32 -0.73 0.23 116.42 115.26 1own h ASP 110 Ca 0.09 0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.25 1own h ASP 110 Cb 0.23 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.69 1own h ASP 110 CO -0.22 0.30 0.30 1.23 -1.72 0.00 0.00 179.24 179.14 1own h GLY 111 N 0.64 0.84 1.05 2.75 0.00 -0.72 -0.22 103.07 107.42 1own h GLY 111 Ca 0.34 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 1own h GLY 111 CO -0.25 0.12 0.18 1.46 0.00 0.00 0.00 176.54 178.05 1own h GLN 112 N 0.57 1.10 -0.04 4.80 1.08 -0.62 -0.83 115.11 121.18 1own h GLN 112 Ca 0.27 -0.26 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1own h GLN 112 Cb 0.18 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1own h GLN 112 CO -0.18 0.97 0.00 0.28 -0.95 0.00 0.00 178.83 178.95 1own h VAL 113 N 1.04 1.22 -0.34 -0.54 2.07 -0.46 -0.57 116.25 118.67 1own h VAL 113 Ca 0.22 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 67.12 1own h VAL 113 Cb 0.35 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1own h VAL 113 CO 0.00 0.18 0.06 0.00 0.02 0.00 0.00 177.57 177.83 1own h ALA 114 N 0.74 0.36 -0.87 1.67 0.00 -0.95 0.26 119.26 120.47 1own h ALA 114 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1own h ALA 114 Cb 0.29 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1own h ALA 114 CO 0.00 -0.34 0.52 0.00 0.00 0.00 0.00 179.25 179.43 1own h ALA 115 N 1.25 1.11 -0.68 0.00 0.00 -1.08 0.14 119.26 120.00 1own h ALA 115 Ca 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1own h ALA 115 Cb 0.18 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1own h ALA 115 CO -0.21 0.58 0.31 0.00 0.00 0.00 0.00 179.25 179.93 1own h ALA 116 N 1.28 0.88 -0.60 0.00 0.00 -0.08 -1.81 119.26 118.92 1own h ALA 116 Ca 0.31 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1own h ALA 116 Cb -0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1own h ALA 116 CO -0.06 0.45 -0.02 -0.07 0.00 0.00 0.00 179.25 179.55 1own h LEU 117 N 0.95 1.05 -1.07 0.00 3.38 0.28 -2.42 115.31 117.48 1own h LEU 117 Ca 0.23 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1own h LEU 117 Cb 0.14 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1own h LEU 117 CO -0.03 1.11 0.21 0.50 0.09 0.00 0.00 178.44 180.33 1own h LYS 118 N 0.97 0.87 -0.64 1.13 3.64 -0.45 0.31 116.57 122.40 1own h LYS 118 Ca 0.17 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1own h LYS 118 Cb 0.58 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1own h LYS 118 CO 0.03 0.73 0.12 1.15 -2.27 0.00 0.00 179.45 179.22 1own h THR 119 N 0.85 1.26 0.00 1.00 2.02 -1.13 -0.06 112.91 116.86 1own h THR 119 Ca 0.20 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1own h THR 119 Cb 0.21 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1own h THR 119 CO -0.01 0.37 0.00 0.00 0.37 0.00 0.00 175.52 176.24 1own n ALA 120 N -2.46 2.51 -1.42 6.16 0.00 -0.68 -4.86 120.51 119.76 1own n ALA 120 Ca 0.04 -0.17 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 1own n ALA 120 Cb 0.27 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 1own n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1own n GLY 121 N 0.73 0.73 3.53 0.00 0.00 -0.03 -5.02 105.19 105.13 1own n GLY 121 Ca 0.20 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 1own n GLY 121 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1own s ILE 122 N -2.28 4.04 0.23 -0.61 1.09 0.98 -4.97 121.20 119.67 1own s ILE 122 Ca 0.00 -0.31 -0.30 0.00 -1.10 0.00 0.00 60.65 58.94 1own s ILE 122 Cb 0.00 -2.77 -0.09 0.00 -1.06 0.00 0.00 42.46 38.53 1own s ILE 122 CO 0.00 0.50 1.36 -0.13 -0.10 0.00 0.00 174.94 176.57 1own s ARG 123 N 0.28 4.34 -0.14 2.79 0.52 -1.26 -3.56 118.95 121.92 1own s ARG 123 Ca -0.02 2.17 0.02 0.00 -0.52 0.00 0.00 55.73 57.37 1own s ARG 123 Cb -0.14 -3.15 0.01 0.00 0.52 0.00 0.00 34.95 32.20 1own s ARG 123 CO 0.02 -0.31 -0.19 0.00 0.02 0.00 0.00 175.30 174.85 1own s ALA 124 N -0.06 2.08 -0.21 2.13 0.00 -1.26 -0.80 121.76 123.64 1own s ALA 124 Ca 0.57 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 1own s ALA 124 Cb -0.39 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 21.74 1own s ALA 124 CO 0.42 -0.16 -0.12 0.08 0.00 0.00 0.00 175.76 175.98 1own s VAL 125 N 1.05 2.61 -0.30 0.00 1.01 -0.51 -4.99 120.40 119.28 1own s VAL 125 Ca -0.03 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 1own s VAL 125 Cb -0.14 -2.20 0.06 0.00 0.00 0.00 0.00 36.38 34.09 1own s VAL 125 CO -0.05 0.40 -0.02 -1.10 0.00 0.00 0.00 175.10 174.33 1own s GLN 126 N 1.34 2.33 0.24 2.72 -0.21 -1.26 -1.79 119.66 123.03 1own s GLN 126 Ca 0.03 -1.33 0.10 0.00 0.02 0.00 0.00 55.36 54.18 1own s GLN 126 Cb -0.14 -3.12 -0.04 0.00 1.00 0.00 0.00 33.01 30.70 1own s GLN 126 CO -0.08 -0.64 -0.05 -0.51 -2.12 0.00 0.00 175.29 171.89 1own s LEU 127 N 1.20 3.07 -0.03 2.90 1.43 -0.69 -4.76 118.68 121.79 1own s LEU 127 Ca -0.05 -0.66 -0.25 0.00 -1.03 0.00 0.00 54.13 52.13 1own s LEU 127 Cb -0.20 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1own s LEU 127 CO -0.02 0.04 0.79 0.26 0.23 0.00 0.00 176.35 177.64 1own s TRP 128 N -2.16 3.62 0.00 0.29 0.52 -1.26 -0.56 118.94 119.38 1own s TRP 128 Ca 0.29 1.40 0.00 0.00 0.02 0.00 0.00 56.10 57.81 1own s TRP 128 Cb -0.07 -2.90 0.00 0.00 -1.15 0.00 0.00 33.47 29.36 1own s TRP 128 CO 0.18 0.08 0.00 -3.47 0.02 0.00 0.00 176.95 173.76 1own n ASP 129 N 3.70 0.85 0.00 2.95 2.03 -1.26 -4.79 116.55 120.03 1own n ASP 129 Ca 0.01 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.47 1own n ASP 129 Cb 0.51 0.03 0.83 0.00 -0.72 0.00 0.00 41.12 41.77 1own n ASP 129 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1own n GLN 130 N -1.42 0.71 -4.88 -0.67 10.64 -1.26 -4.59 117.38 115.91 1own n GLN 130 Ca 0.00 0.00 -0.26 0.00 -1.83 0.00 0.00 57.00 54.91 1own n GLN 130 Cb 0.10 -1.50 -0.15 0.00 -0.86 0.00 0.00 30.24 27.83 1own n GLN 130 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1own s LEU 131 N -2.27 2.07 0.32 2.61 1.43 -1.26 -4.81 118.68 116.77 1own s LEU 131 Ca 0.38 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1own s LEU 131 Cb 0.20 -1.01 0.53 0.00 0.03 0.00 0.00 46.19 45.95 1own s LEU 131 CO 0.40 0.22 1.87 -0.07 0.23 0.00 0.00 176.35 179.00 1own h LEU 132 N 5.43 0.63 -7.77 1.79 3.38 -1.92 -3.41 115.31 113.45 1own h LEU 132 Ca -0.40 -0.10 -0.44 0.00 0.09 0.00 0.00 57.88 57.03 1own h LEU 132 Cb 1.15 -0.16 -0.34 0.00 0.09 0.00 0.00 40.66 41.39 1own h LEU 132 CO 0.47 0.63 -0.78 -1.00 0.09 0.00 0.00 178.44 177.85 1own s HIS 133 N -5.17 0.95 0.75 1.13 3.76 -1.26 -4.68 115.29 110.77 1own s HIS 133 Ca -0.09 -0.31 -0.12 0.00 -0.15 0.00 0.00 55.06 54.39 1own s HIS 133 Cb 0.16 -0.80 0.05 0.00 1.11 0.00 0.00 32.58 33.09 1own s HIS 133 CO 0.78 -0.24 1.10 -1.54 -0.85 0.00 0.00 174.74 173.99 1own s SER 134 N 0.99 4.56 0.48 1.40 1.04 -1.26 -4.90 113.70 116.00 1own s SER 134 Ca -0.10 1.91 0.18 0.00 0.48 0.00 0.00 55.95 58.42 1own s SER 134 Cb -0.14 -2.53 1.20 0.00 0.10 0.00 0.00 66.02 64.64 1own s SER 134 CO -0.00 -2.00 2.03 -0.65 0.98 0.00 0.00 173.24 173.59 1own h PRO 135 N -0.83 0.18 0.00 4.02 0.11 -1.94 -0.40 132.00 133.14 1own h PRO 135 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1own h PRO 135 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1own h PRO 135 CO 0.51 0.12 0.00 -0.25 -0.21 0.00 0.00 178.00 178.18 1own n ASP 136 N -4.45 0.53 0.02 -2.05 8.00 -1.26 -3.43 116.55 113.90 1own n ASP 136 Ca 0.07 0.57 -0.11 0.00 0.71 0.00 0.00 54.79 56.02 1own n ASP 136 Cb 0.38 -0.70 -0.14 0.00 -0.02 0.00 0.00 41.12 40.64 1own n ASP 136 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1own h GLN 137 N 0.00 0.08 -4.17 -1.24 4.15 -1.42 -3.43 115.11 109.09 1own h GLN 137 Ca 0.00 -0.13 -0.76 0.00 0.77 0.00 0.00 58.65 58.53 1own h GLN 137 Cb 0.58 0.05 -0.24 0.00 0.21 0.00 0.00 27.48 28.08 1own h GLN 137 CO 0.00 0.80 0.00 0.42 -1.93 0.00 0.00 178.83 178.12 1own s ILE 138 N -2.62 5.24 0.10 2.39 1.09 -1.19 -5.03 121.20 121.18 1own s ILE 138 Ca -0.06 -1.73 0.02 0.00 -1.10 0.00 0.00 60.65 57.78 1own s ILE 138 Cb 0.08 -4.43 -0.04 0.00 -1.06 0.00 0.00 42.46 37.00 1own s ILE 138 CO 0.83 -1.00 -0.07 -0.76 -0.10 0.00 0.00 174.94 173.84 1own s LEU 139 N 1.39 2.51 1.00 2.97 1.43 -1.26 -4.72 118.68 121.99 1own s LEU 139 Ca 0.11 -1.00 -0.16 0.00 -1.03 0.00 0.00 54.13 52.05 1own s LEU 139 Cb -0.21 -0.07 0.21 0.00 0.03 0.00 0.00 46.19 46.14 1own s LEU 139 CO -0.01 -0.46 1.26 -0.94 0.23 0.00 0.00 176.35 176.43 1own s SER 140 N -3.02 2.78 0.66 2.29 1.04 0.35 -4.80 113.70 113.00 1own s SER 140 Ca 0.12 0.42 0.40 0.00 0.48 0.00 0.00 55.95 57.36 1own s SER 140 Cb 0.05 -0.56 2.22 0.00 0.10 0.00 0.00 66.02 67.83 1own s SER 140 CO -0.05 -2.95 2.29 1.23 0.98 0.00 0.00 173.24 174.74 1own h GLY 141 N -1.79 0.00 -1.96 7.32 0.00 -2.02 0.52 103.07 105.15 1own h GLY 141 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1own h GLY 141 CO 0.40 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.38 1own n SER 142 N -3.18 3.01 -0.61 0.19 7.64 -1.26 -4.94 113.62 114.47 1own n SER 142 Ca -0.03 -1.93 -0.06 0.00 1.01 0.00 0.00 58.87 57.86 1own n SER 142 Cb 0.13 -0.25 -0.02 0.00 -1.01 0.00 0.00 64.21 63.06 1own n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1own n GLY 143 N 1.41 0.50 3.61 0.23 0.00 0.18 -5.04 105.19 106.08 1own n GLY 143 Ca 0.19 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 1own n GLY 143 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1own s ASN 144 N -2.82 4.41 0.93 1.61 0.01 -1.26 -4.72 114.94 113.10 1own s ASN 144 Ca 0.00 -0.60 -0.12 0.00 -0.71 0.00 0.00 52.86 51.43 1own s ASN 144 Cb 0.00 -0.79 0.15 0.00 0.41 0.00 0.00 41.25 41.01 1own s ASN 144 CO 0.00 0.06 1.09 -2.16 -1.51 0.00 0.00 177.10 174.58 1own s PRO 145 N -3.21 0.99 -0.13 -0.60 0.04 -1.26 -0.50 135.00 130.32 1own s PRO 145 Ca 0.28 0.69 -0.07 0.00 0.04 0.00 0.00 61.00 61.94 1own s PRO 145 Cb -0.08 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1own s PRO 145 CO 0.18 -2.39 0.10 0.71 0.04 0.00 0.00 177.00 175.63 1own s TYR 146 N -2.96 3.44 -0.54 0.56 2.02 -1.26 -4.81 117.35 113.79 1own s TYR 146 Ca 0.64 0.37 0.05 0.00 -0.37 0.00 0.00 57.07 57.76 1own s TYR 146 Cb -0.18 -1.96 0.06 0.00 -0.40 0.00 0.00 41.96 39.48 1own s TYR 146 CO 0.57 0.54 0.78 -1.13 -1.57 0.00 0.00 175.55 174.74 1own n SER 147 N 2.44 1.67 -4.13 2.29 3.41 -1.26 -4.85 113.62 113.20 1own n SER 147 Ca -0.19 -1.42 -0.27 0.00 -0.26 0.00 0.00 58.87 56.74 1own n SER 147 Cb 0.54 -0.03 -0.16 0.00 -0.26 0.00 0.00 64.21 64.30 1own n SER 147 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1own s VAL 148 N -0.56 1.48 0.05 -3.33 1.01 -1.26 0.06 120.40 117.84 1own s VAL 148 Ca 0.07 -0.72 -0.33 0.00 0.00 0.00 0.00 61.98 61.00 1own s VAL 148 Cb 0.04 -1.28 -0.19 0.00 0.00 0.00 0.00 36.38 34.95 1own s VAL 148 CO 0.06 0.43 1.45 0.22 0.00 0.00 0.00 175.10 177.26 1own h TYR 149 N 6.46 -0.99 -0.19 5.22 3.20 -1.93 -3.22 116.97 125.52 1own h TYR 149 Ca -0.30 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.56 1own h TYR 149 Cb 1.19 0.33 -0.02 0.00 1.54 0.00 0.00 36.73 39.76 1own h TYR 149 CO 0.45 -0.60 -0.11 0.41 -1.64 0.00 0.00 178.16 176.67 1own n GLY 150 N -1.28 -1.42 0.34 1.82 0.00 -1.26 -0.02 105.19 103.37 1own n GLY 150 Ca -0.14 0.40 0.01 0.00 0.00 0.00 0.00 46.02 46.29 1own n GLY 150 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1own h PRO 151 N 0.00 0.85 -0.28 1.61 0.11 -2.00 -1.86 132.00 130.42 1own h PRO 151 Ca 0.03 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1own h PRO 151 Cb 0.08 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 1own h PRO 151 CO -0.18 0.57 0.12 0.35 -0.21 0.00 0.00 178.00 178.66 1own h PHE 152 N 0.87 0.42 -0.55 0.65 3.04 -0.45 -2.25 116.94 118.67 1own h PHE 152 Ca 0.23 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.16 1own h PHE 152 Cb -0.09 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.27 1own h PHE 152 CO 0.00 0.41 0.36 2.35 -2.02 0.00 0.00 178.31 179.41 1own h TRP 153 N 0.31 0.70 -0.91 0.41 2.91 -0.52 0.40 115.95 119.25 1own h TRP 153 Ca 0.10 0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.18 1own h TRP 153 Cb 0.16 -0.23 -0.06 0.00 -0.51 0.00 0.00 29.16 28.52 1own h TRP 153 CO -0.01 0.44 0.59 -0.22 -1.03 0.00 0.00 178.44 178.21 1own h LYS 154 N 0.75 1.05 0.30 2.65 3.64 -1.11 0.23 116.57 124.07 1own h LYS 154 Ca 0.20 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1own h LYS 154 Cb -0.08 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.51 1own h LYS 154 CO -0.04 0.69 -0.14 -0.97 -2.27 0.00 0.00 179.45 176.72 1own h ASN 155 N 1.08 -0.34 -0.79 4.20 -0.73 -1.03 -3.24 115.58 114.74 1own h ASN 155 Ca 0.38 0.01 0.18 0.00 1.87 0.00 0.00 56.30 58.74 1own h ASN 155 Cb 0.11 0.09 -0.14 0.00 0.27 0.00 0.00 38.32 38.66 1own h ASN 155 CO -0.13 0.05 0.02 -0.25 -0.37 0.00 0.00 177.43 176.75 1own h TRP 156 N -0.99 -0.03 -0.87 0.67 7.01 -0.79 -1.32 115.95 119.64 1own h TRP 156 Ca -0.04 0.06 0.06 0.00 2.11 0.00 0.00 58.89 61.07 1own h TRP 156 Cb 0.31 0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 27.45 1own h TRP 156 CO 0.01 -0.26 0.55 0.37 -2.79 0.00 0.00 178.44 176.32 1own h GLN 157 N 0.10 0.98 0.00 2.65 -0.00 -0.67 -2.61 115.11 115.56 1own h GLN 157 Ca 0.44 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 59.03 1own h GLN 157 Cb 0.79 -0.22 0.00 0.00 0.00 0.00 0.00 27.48 28.05 1own h GLN 157 CO -0.69 0.65 0.00 0.00 0.00 0.00 0.00 178.83 178.79 1own n ALA 158 N -2.35 2.22 -1.91 3.38 0.00 -0.51 -4.85 120.51 116.49 1own n ALA 158 Ca 0.12 -0.07 -0.41 0.00 0.00 0.00 0.00 53.44 53.08 1own n ALA 158 Cb 0.16 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.13 1own n ALA 158 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1own s GLN 159 N -3.03 4.56 0.23 0.00 -1.52 -0.99 -4.96 119.66 113.96 1own s GLN 159 Ca 0.12 1.84 -0.32 0.00 -1.95 0.00 0.00 55.36 55.06 1own s GLN 159 Cb 0.16 -3.21 -0.12 0.00 -0.22 0.00 0.00 33.01 29.62 1own s GLN 159 CO 0.51 0.06 1.70 -1.25 -0.25 0.00 0.00 175.29 176.06 1own s PRO 160 N -0.88 4.12 -0.01 2.91 0.04 -1.26 -4.95 135.00 134.97 1own s PRO 160 Ca 0.48 2.61 -0.24 0.00 0.04 0.00 0.00 61.00 63.89 1own s PRO 160 Cb -0.32 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 1own s PRO 160 CO 0.39 -0.73 0.73 0.15 0.04 0.00 0.00 177.00 177.58 1own s LYS 161 N 0.83 4.46 0.57 4.56 -0.14 -1.26 -5.05 119.74 123.70 1own s LYS 161 Ca 0.73 0.97 -0.16 0.00 -1.36 0.00 0.00 55.97 56.15 1own s LYS 161 Cb -0.50 -3.40 -0.05 0.00 -1.68 0.00 0.00 37.83 32.20 1own s LYS 161 CO 0.35 0.17 1.03 -1.25 -0.76 0.00 0.00 175.35 174.90 1own s PRO 162 N 0.38 3.51 0.31 -1.68 0.04 -1.26 -5.08 135.00 131.22 1own s PRO 162 Ca 0.38 1.09 0.07 0.00 0.04 0.00 0.00 61.00 62.59 1own s PRO 162 Cb -0.19 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1own s PRO 162 CO 0.21 -0.64 0.26 0.95 0.04 0.00 0.00 177.00 177.81 1own s THR 163 N -2.57 3.73 0.46 1.26 -4.23 -1.26 -4.86 115.64 108.17 1own s THR 163 Ca 0.61 -1.41 -0.25 0.00 -1.18 0.00 0.00 61.69 59.47 1own s THR 163 Cb -0.14 -3.22 -0.08 0.00 1.34 0.00 0.00 72.50 70.40 1own s THR 163 CO 0.37 -0.22 1.34 -2.65 -0.54 0.00 0.00 174.62 172.92 1own n PRO 164 N -1.30 2.00 -2.95 3.99 -0.02 -1.26 -4.98 135.00 130.47 1own n PRO 164 Ca -0.03 0.71 -0.19 0.00 -2.02 0.00 0.00 63.50 61.97 1own n PRO 164 Cb 0.59 -2.51 0.02 0.00 -0.02 0.00 0.00 33.50 31.58 1own n PRO 164 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1own s VAL 165 N -1.22 3.12 0.49 -1.45 -7.23 -1.26 -5.02 120.40 107.83 1own s VAL 165 Ca 0.63 -0.85 -0.21 0.00 -1.81 0.00 0.00 61.98 59.74 1own s VAL 165 Cb -0.47 -3.09 -0.07 0.00 0.56 0.00 0.00 36.38 33.31 1own s VAL 165 CO 0.56 -0.05 1.09 0.00 -0.31 0.00 0.00 175.10 176.40 1own s ALA 166 N -2.47 2.86 -0.07 1.32 0.00 -1.26 -3.44 121.76 118.70 1own s ALA 166 Ca 0.54 0.75 -0.29 0.00 0.00 0.00 0.00 51.96 52.97 1own s ALA 166 Cb -0.10 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1own s ALA 166 CO 0.35 -0.51 0.94 0.99 0.00 0.00 0.00 175.76 177.52 1own s THR 167 N -1.78 4.86 0.37 0.00 2.01 -1.26 -4.54 115.64 115.29 1own s THR 167 Ca 0.67 1.93 -0.27 0.00 0.31 0.00 0.00 61.69 64.33 1own s THR 167 Cb -0.22 -4.26 -0.09 0.00 0.01 0.00 0.00 72.50 67.93 1own s THR 167 CO 0.26 0.10 1.30 -2.16 -0.69 0.00 0.00 174.62 173.43 1own s PRO 168 N 1.48 4.15 0.16 4.92 0.04 -1.26 -5.03 135.00 139.47 1own s PRO 168 Ca 0.47 2.17 -0.01 0.00 0.04 0.00 0.00 61.00 63.68 1own s PRO 168 Cb -0.19 -2.90 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 1own s PRO 168 CO 0.21 -0.35 0.08 0.95 0.04 0.00 0.00 177.00 177.94 1own s THR 169 N -1.21 0.13 -1.24 1.26 -4.23 -1.26 -4.93 115.64 104.16 1own s THR 169 Ca 0.53 -1.95 -0.09 0.00 -1.18 0.00 0.00 61.69 59.00 1own s THR 169 Cb -0.39 -2.23 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 1own s THR 169 CO 0.50 -0.29 0.70 -0.62 -0.54 0.00 0.00 174.62 174.37 1own n GLU 170 N -0.18 -2.81 -2.13 3.99 1.02 -1.14 -4.96 120.64 114.43 1own n GLU 170 Ca -0.03 0.53 -0.31 0.00 -0.02 0.00 0.00 57.16 57.33 1own n GLU 170 Cb 0.65 -4.65 -0.01 0.00 -0.02 0.00 0.00 31.44 27.41 1own n GLU 170 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1own s LEU 171 N -6.55 3.41 -0.20 -4.62 1.43 0.05 -4.89 118.68 107.31 1own s LEU 171 Ca 0.24 1.42 -0.06 0.00 -1.03 0.00 0.00 54.13 54.70 1own s LEU 171 Cb -0.08 -4.42 -0.03 0.00 0.03 0.00 0.00 46.19 41.69 1own s LEU 171 CO 0.84 -0.74 0.03 -0.69 0.23 0.00 0.00 176.35 176.03 1own s VAL 172 N -2.94 4.30 0.70 -1.59 1.01 0.17 -4.37 120.40 117.69 1own s VAL 172 Ca 0.56 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.24 1own s VAL 172 Cb -0.11 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.35 1own s VAL 172 CO 0.45 0.42 1.07 -0.62 0.00 0.00 0.00 175.10 176.43 1own s ASP 173 N 0.85 5.22 0.58 3.32 2.15 -1.06 -4.10 116.67 123.65 1own s ASP 173 Ca 0.02 0.92 -0.16 0.00 0.43 0.00 0.00 52.55 53.76 1own s ASP 173 Cb -0.14 -1.68 -0.04 0.00 -0.30 0.00 0.00 42.92 40.76 1own s ASP 173 CO 0.02 -1.43 1.05 -0.76 -0.17 0.00 0.00 175.17 173.88 1own s LEU 174 N -5.32 3.51 0.48 -1.34 1.43 -1.26 -5.05 118.68 111.12 1own s LEU 174 Ca 0.58 1.77 0.01 0.00 -1.03 0.00 0.00 54.13 55.46 1own s LEU 174 Cb -0.11 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.59 1own s LEU 174 CO 0.49 -1.08 0.70 -0.94 0.23 0.00 0.00 176.35 175.75 1own s SER 175 N -2.85 5.67 0.24 2.29 1.04 -1.26 -4.89 113.70 113.93 1own s SER 175 Ca 0.63 0.18 -0.05 0.00 0.48 0.00 0.00 55.95 57.19 1own s SER 175 Cb -0.15 -1.31 0.37 0.00 0.10 0.00 0.00 66.02 65.02 1own s SER 175 CO 0.36 -0.83 1.83 -0.65 0.98 0.00 0.00 173.24 174.94 1own h PRO 176 N 0.32 0.87 -0.73 4.02 0.11 -1.98 0.24 132.00 134.85 1own h PRO 176 Ca -0.45 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1own h PRO 176 Cb 1.27 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1own h PRO 176 CO 0.55 0.57 0.31 0.93 -0.21 0.00 0.00 178.00 180.16 1own h GLU 177 N 0.89 1.07 -0.14 1.05 5.08 -1.99 0.32 114.58 120.87 1own h GLU 177 Ca 0.39 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1own h GLU 177 Cb 0.26 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1own h GLU 177 CO -0.21 0.85 -0.11 1.96 -1.00 0.00 0.00 179.01 180.51 1own h GLN 178 N 1.05 0.32 -0.46 2.33 4.20 -1.64 -2.24 115.11 118.67 1own h GLN 178 Ca 0.25 -0.16 0.04 0.00 0.06 0.00 0.00 58.65 58.84 1own h GLN 178 Cb 0.17 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1own h GLN 178 CO -0.03 0.69 0.31 -0.07 -0.67 0.00 0.00 178.83 179.06 1own h LEU 179 N -0.05 0.40 -0.62 1.46 3.38 -0.10 -0.76 115.31 119.03 1own h LEU 179 Ca 0.03 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1own h LEU 179 Cb 0.61 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1own h LEU 179 CO 0.03 0.27 -0.48 0.74 0.09 0.00 0.00 178.44 179.09 1own h THR 180 N 0.46 1.31 0.00 0.22 2.02 -0.19 -1.33 112.91 115.42 1own h THR 180 Ca 0.19 -1.69 -0.04 0.00 0.77 0.00 0.00 66.41 65.64 1own h THR 180 Cb 0.18 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1own h THR 180 CO -0.05 0.53 -0.21 0.00 0.37 0.00 0.00 175.52 176.16 1own h ALA 181 N 1.06 1.33 -0.00 6.16 0.00 -0.53 -3.18 119.26 124.10 1own h ALA 181 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1own h ALA 181 Cb 0.99 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1own h ALA 181 CO 0.09 0.26 -0.45 0.44 0.00 0.00 0.00 179.25 179.60 1own n ILE 182 N -3.82 0.00 -0.26 0.00 -0.00 -1.02 -4.76 119.36 109.49 1own n ILE 182 Ca -0.02 -0.28 0.02 0.00 -0.00 0.00 0.00 62.75 62.47 1own n ILE 182 Cb 0.31 1.06 0.06 0.00 -0.00 0.00 0.00 39.64 41.07 1own n ILE 182 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1own n ALA 183 N -0.84 0.04 0.27 -1.28 0.00 -0.51 -0.13 120.51 118.05 1own n ALA 183 Ca 0.03 0.73 0.18 0.00 0.00 0.00 0.00 53.44 54.38 1own n ALA 183 Cb 0.22 -0.38 0.94 0.00 0.00 0.00 0.00 19.45 20.22 1own n ALA 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1own h PRO 184 N 0.00 0.00 0.00 0.00 0.11 -1.86 -2.27 132.00 127.99 1own h PRO 184 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1own h PRO 184 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1own h PRO 184 CO -0.71 0.00 -0.63 1.28 -0.21 0.00 0.00 178.00 177.74 1own n LEU 185 N -3.57 0.59 -4.92 2.35 4.77 0.82 -4.97 117.00 112.07 1own n LEU 185 Ca -0.01 -0.05 -0.29 0.00 -0.03 0.00 0.00 56.01 55.63 1own n LEU 185 Cb 0.21 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1own n LEU 185 CO 0.24 0.12 -0.14 -0.76 -1.33 0.00 0.00 177.39 175.53 1own s LEU 186 N -3.18 4.31 0.11 2.23 1.43 -0.85 -4.59 118.68 118.14 1own s LEU 186 Ca 0.10 0.21 -0.18 0.00 -1.03 0.00 0.00 54.13 53.23 1own s LEU 186 Cb 0.17 -2.91 -0.07 0.00 0.03 0.00 0.00 46.19 43.41 1own s LEU 186 CO 0.73 0.12 0.58 -0.76 0.23 0.00 0.00 176.35 177.26 1own s LEU 187 N -2.78 4.46 0.46 1.79 1.43 -0.46 -4.97 118.68 118.60 1own s LEU 187 Ca 0.34 1.23 0.24 0.00 -1.03 0.00 0.00 54.13 54.92 1own s LEU 187 Cb -0.12 -3.08 1.04 0.00 0.03 0.00 0.00 46.19 44.05 1own s LEU 187 CO 0.28 0.20 1.88 0.77 0.23 0.00 0.00 176.35 179.71 1own h SER 188 N 4.13 0.00 -4.99 2.29 4.64 -1.95 -3.43 113.55 114.23 1own h SER 188 Ca -0.49 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.86 1own h SER 188 Cb 1.21 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.20 1own h SER 188 CO 0.64 0.21 0.25 -1.83 -0.87 0.00 0.00 176.83 175.24 1own s GLU 189 N -3.78 1.43 -0.05 4.77 -1.05 -1.26 -5.12 118.70 113.64 1own s GLU 189 Ca -0.00 -0.66 -0.30 0.00 -0.15 0.00 0.00 54.97 53.86 1own s GLU 189 Cb 0.11 0.57 -0.05 0.00 -0.44 0.00 0.00 34.13 34.32 1own s GLU 189 CO 0.63 -0.64 1.55 -1.17 0.95 0.00 0.00 175.26 176.58 1own s LEU 190 N -2.81 4.30 0.58 1.83 2.96 -1.26 -4.97 118.68 119.32 1own s LEU 190 Ca 0.06 2.16 -0.19 0.00 -0.22 0.00 0.00 54.13 55.93 1own s LEU 190 Cb -0.03 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 1own s LEU 190 CO -0.04 -0.86 1.21 -2.84 -1.32 0.00 0.00 176.35 172.49 1own s PRO 191 N 3.54 3.07 0.63 0.98 0.02 -1.26 -5.01 135.00 136.98 1own s PRO 191 Ca 0.69 1.83 -0.09 0.00 0.02 0.00 0.00 61.00 63.44 1own s PRO 191 Cb -0.32 -1.99 -0.01 0.00 0.02 0.00 0.00 34.50 32.21 1own s PRO 191 CO 0.27 -1.13 1.00 0.95 -0.33 0.00 0.00 177.00 177.76 1own s THR 192 N -1.59 4.01 0.19 0.99 -4.23 -1.26 -4.90 115.64 108.85 1own s THR 192 Ca 0.76 0.43 -0.12 0.00 -1.18 0.00 0.00 61.69 61.58 1own s THR 192 Cb -0.30 -3.62 0.12 0.00 1.34 0.00 0.00 72.50 70.04 1own s THR 192 CO 0.33 -0.75 1.72 0.25 -0.54 0.00 0.00 174.62 175.64 1own h LEU 193 N -0.35 0.07 -0.85 4.79 5.85 -1.95 -1.49 115.31 121.39 1own h LEU 193 Ca -0.45 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 1own h LEU 193 Cb 1.23 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.32 1own h LEU 193 CO 0.62 0.06 0.44 0.07 -0.34 0.00 0.00 178.44 179.30 1own h LYS 194 N 0.29 1.19 -0.12 1.25 2.10 -1.92 -1.50 116.57 117.86 1own h LYS 194 Ca 0.27 -0.15 -0.03 0.00 -2.00 0.00 0.00 60.65 58.74 1own h LYS 194 Cb 0.35 -0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 31.44 1own h LYS 194 CO -0.32 0.89 -0.07 0.37 -2.00 0.00 0.00 179.45 178.32 1own h GLN 195 N 1.19 0.18 0.00 0.07 5.75 -1.62 0.57 115.11 121.24 1own h GLN 195 Ca 0.30 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.77 1own h GLN 195 Cb 0.06 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.58 1own h GLN 195 CO -0.04 0.26 0.00 1.28 -2.65 0.00 0.00 178.83 177.68 1own n LEU 196 N -4.36 0.11 0.00 -2.39 4.77 -0.67 -4.90 117.00 109.58 1own n LEU 196 Ca -0.01 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1own n LEU 196 Cb 0.21 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1own n LEU 196 CO 0.37 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1own n GLY 197 N 1.05 0.84 3.49 -0.72 0.00 0.19 -5.09 105.19 104.95 1own n GLY 197 Ca 0.06 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 1own n GLY 197 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1own s PHE 198 N -2.00 2.33 -0.07 1.61 0.08 -0.64 -5.00 117.98 114.29 1own s PHE 198 Ca 0.00 -0.32 -0.04 0.00 0.12 0.00 0.00 56.93 56.69 1own s PHE 198 Cb 0.00 -1.01 0.03 0.00 -0.57 0.00 0.00 43.02 41.47 1own s PHE 198 CO 0.00 0.71 0.16 0.16 -0.10 0.00 0.00 175.22 176.15 1own s ASP 199 N -3.52 -0.15 -0.16 1.36 -4.77 -1.26 -3.28 116.67 104.88 1own s ASP 199 Ca 0.30 0.33 -0.10 0.00 -3.30 0.00 0.00 52.55 49.78 1own s ASP 199 Cb -0.05 0.27 0.05 0.00 -1.09 0.00 0.00 42.92 42.11 1own s ASP 199 CO 0.15 -0.10 0.40 0.86 0.70 0.00 0.00 175.17 177.18 1own s TRP 200 N 0.64 -0.56 0.00 2.11 -0.11 -1.26 -4.84 118.94 114.91 1own s TRP 200 Ca -0.05 1.23 0.00 0.00 1.22 0.00 0.00 56.10 58.51 1own s TRP 200 Cb -0.06 0.24 0.00 0.00 -1.50 0.00 0.00 33.47 32.15 1own s TRP 200 CO -0.03 -0.31 0.71 -3.47 -4.62 0.00 0.00 176.95 169.22 1own n ASP 201 N 4.00 0.00 -0.44 5.86 2.03 -1.26 -4.88 116.55 121.86 1own n ASP 201 Ca -0.22 -1.46 0.13 0.00 0.52 0.00 0.00 54.79 53.77 1own n ASP 201 Cb 0.55 -0.09 0.50 0.00 -0.72 0.00 0.00 41.12 41.37 1own n ASP 201 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1own n GLY 202 N 0.00 -0.03 6.01 0.27 0.00 -1.26 -5.06 105.19 105.12 1own n GLY 202 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1own n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1own n GLY 203 N 1.12 -1.93 3.26 -0.02 0.00 -1.26 -4.48 105.19 101.88 1own n GLY 203 Ca 0.18 -1.49 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 1own n GLY 203 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1own s PHE 204 N 0.00 -0.00 0.26 1.61 0.08 -1.26 -4.86 117.98 113.80 1own s PHE 204 Ca 0.00 -0.38 0.16 0.00 0.12 0.00 0.00 56.93 56.83 1own s PHE 204 Cb 0.00 0.09 0.67 0.00 -0.57 0.00 0.00 43.02 43.20 1own s PHE 204 CO 0.00 -0.62 1.75 -1.35 -0.10 0.00 0.00 175.22 174.90 1own h PRO 205 N 2.57 0.00 -2.61 0.24 0.11 -1.87 -3.42 132.00 127.02 1own h PRO 205 Ca -0.34 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.66 1own h PRO 205 Cb 1.23 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.08 1own h PRO 205 CO 0.52 0.41 -0.26 0.54 -0.21 0.00 0.00 178.00 179.00 1own s VAL 206 N -3.77 -0.02 0.45 3.15 0.11 -1.26 -4.87 120.40 114.19 1own s VAL 206 Ca -0.01 0.07 -0.23 0.00 -2.93 0.00 0.00 61.98 58.88 1own s VAL 206 Cb 0.12 -0.64 -0.10 0.00 -1.53 0.00 0.00 36.38 34.24 1own s VAL 206 CO 0.71 0.03 0.97 -0.62 -3.33 0.00 0.00 175.10 172.85 1own n GLU 207 N 4.00 1.24 -1.53 1.54 -0.58 -1.26 -4.91 120.64 119.13 1own n GLU 207 Ca -0.21 0.45 -0.36 0.00 -0.42 0.00 0.00 57.16 56.61 1own n GLU 207 Cb 0.56 -2.03 0.08 0.00 -0.57 0.00 0.00 31.44 29.48 1own n GLU 207 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1own n PRO 208 N 0.00 0.80 0.00 3.49 -0.02 -1.26 -4.45 135.00 133.56 1own n PRO 208 Ca 0.10 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1own n PRO 208 Cb 0.41 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1own n PRO 208 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1own n GLY 209 N 0.92 2.75 0.08 -1.23 0.00 -1.26 -4.57 105.19 101.87 1own n GLY 209 Ca 0.15 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 1own n GLY 209 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1own h GLU 210 N 0.00 -0.04 -0.34 1.61 4.81 -1.79 -1.95 114.58 116.87 1own h GLU 210 Ca 0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1own h GLU 210 Cb 0.00 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 1own h GLU 210 CO 0.00 -0.03 0.08 1.15 -0.73 0.00 0.00 179.01 179.48 1own h THR 211 N -0.04 0.85 -0.35 0.32 2.02 -1.89 -0.60 112.91 113.22 1own h THR 211 Ca 0.03 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 67.04 1own h THR 211 Cb 0.08 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1own h THR 211 CO -0.07 0.04 -0.17 0.00 0.37 0.00 0.00 175.52 175.69 1own h ALA 212 N 1.25 1.05 -0.14 6.16 0.00 -1.78 -1.90 119.26 123.89 1own h ALA 212 Ca 0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1own h ALA 212 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1own h ALA 212 CO -0.20 0.58 0.05 0.00 0.00 0.00 0.00 179.25 179.68 1own h ALA 213 N 1.23 0.18 -0.84 0.00 0.00 -0.79 -1.15 119.26 117.90 1own h ALA 213 Ca 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1own h ALA 213 Cb 0.62 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1own h ALA 213 CO 0.04 -0.22 0.52 0.82 0.00 0.00 0.00 179.25 180.41 1own h ILE 214 N 0.07 1.23 -0.49 0.00 2.04 -1.01 -0.79 117.51 118.56 1own h ILE 214 Ca 0.05 -0.48 -0.09 0.00 1.00 0.00 0.00 64.86 65.34 1own h ILE 214 Cb 0.18 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 1own h ILE 214 CO -0.00 0.23 -0.04 0.00 0.00 0.00 0.00 178.15 178.34 1own h ALA 215 N 1.42 0.66 -0.28 1.87 0.00 -1.11 -1.69 119.26 120.13 1own h ALA 215 Ca 0.30 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1own h ALA 215 Cb -0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1own h ALA 215 CO -0.06 0.50 0.02 -0.09 0.00 0.00 0.00 179.25 179.63 1own h ARG 216 N 0.74 0.48 -0.36 0.00 9.65 -0.75 -0.25 114.38 123.89 1own h ARG 216 Ca 0.13 -0.14 0.05 0.00 -1.10 0.00 0.00 59.98 58.93 1own h ARG 216 Cb 0.57 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.05 1own h ARG 216 CO 0.03 0.61 0.07 1.25 2.80 0.00 0.00 179.97 184.74 1own h LEU 217 N 0.28 0.01 -0.67 3.80 5.85 -1.05 0.11 115.31 123.64 1own h LEU 217 Ca 0.08 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1own h LEU 217 Cb 0.38 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1own h LEU 217 CO 0.01 0.04 0.21 1.56 -0.34 0.00 0.00 178.44 179.92 1own h GLN 218 N 0.19 1.04 -0.43 1.25 4.20 -1.15 -1.18 115.11 119.03 1own h GLN 218 Ca 0.17 -0.22 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 1own h GLN 218 Cb 0.19 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1own h GLN 218 CO -0.22 0.90 -0.06 0.93 -0.67 0.00 0.00 178.83 179.71 1own h GLU 219 N 0.97 0.79 0.30 1.46 5.08 -0.56 -2.02 114.58 120.60 1own h GLU 219 Ca 0.22 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1own h GLU 219 Cb 0.30 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1own h GLU 219 CO -0.01 0.90 -0.14 0.35 -1.00 0.00 0.00 179.01 179.11 1own h PHE 220 N 0.62 -0.37 0.00 4.33 3.57 -0.69 -2.74 116.94 121.67 1own h PHE 220 Ca 0.11 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1own h PHE 220 Cb 0.58 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1own h PHE 220 CO 0.05 -0.13 0.00 0.00 -2.23 0.00 0.00 178.31 175.99 1own h ASP 222 N 0.00 0.00 0.00 0.00 5.19 -1.06 -3.45 116.42 117.10 1own h ASP 222 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1own h ASP 222 Cb 0.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1own h ASP 222 CO 0.00 0.59 0.00 0.54 -3.12 0.00 0.00 179.24 177.25 1own n ARG 223 N -2.98 0.00 -0.32 3.56 5.12 -0.91 -4.96 116.66 116.17 1own n ARG 223 Ca -0.07 0.00 0.31 0.00 -1.93 0.00 0.00 57.85 56.16 1own n ARG 223 Cb 0.83 0.00 0.58 0.00 -1.16 0.00 0.00 32.46 32.71 1own n ARG 223 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1own n ALA 224 N -1.69 1.01 0.18 7.54 0.00 -1.08 -0.91 120.51 125.56 1own n ALA 224 Ca 0.00 1.01 0.15 0.00 0.00 0.00 0.00 53.44 54.60 1own n ALA 224 Cb 0.00 -1.00 0.75 0.00 0.00 0.00 0.00 19.45 19.20 1own n ALA 224 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1own h ILE 225 N 0.00 0.68 0.00 0.00 -0.00 -1.56 -1.57 117.51 115.06 1own h ILE 225 Ca 0.84 0.00 -0.02 0.00 -0.00 0.00 0.00 64.86 65.68 1own h ILE 225 Cb 2.21 0.87 -0.00 0.00 -0.00 0.00 0.00 36.82 39.90 1own h ILE 225 CO -0.76 0.00 -0.09 0.00 -0.00 0.00 0.00 178.15 177.30 1own h ALA 226 N 1.85 1.35 -0.39 0.18 0.00 -1.30 -1.88 119.26 119.06 1own h ALA 226 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1own h ALA 226 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1own h ALA 226 CO -0.00 0.11 0.00 -0.25 0.00 0.00 0.00 179.25 179.11 1own n ASP 227 N -3.71 3.05 -0.32 0.00 8.00 -0.60 -4.17 116.55 118.80 1own n ASP 227 Ca -0.02 -1.96 0.10 0.00 0.71 0.00 0.00 54.79 53.62 1own n ASP 227 Cb 0.20 -0.26 0.23 0.00 -0.02 0.00 0.00 41.12 41.26 1own n ASP 227 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1own h TYR 228 N 2.51 -0.13 -3.46 1.24 3.20 -1.19 -1.93 116.97 117.20 1own h TYR 228 Ca 0.00 0.07 -0.64 0.00 3.14 0.00 0.00 58.73 61.30 1own h TYR 228 Cb 0.77 0.21 -0.21 0.00 1.54 0.00 0.00 36.73 39.04 1own h TYR 228 CO 0.26 -0.38 -0.62 0.34 -1.64 0.00 0.00 178.16 176.12 1own s ASP 229 N -5.11 5.15 0.00 -2.11 2.15 -1.26 0.82 116.67 116.31 1own s ASP 229 Ca -0.13 -0.12 0.19 0.00 0.43 0.00 0.00 52.55 52.92 1own s ASP 229 Cb 0.27 -1.89 0.52 0.00 -0.30 0.00 0.00 42.92 41.52 1own s ASP 229 CO 0.77 0.07 1.43 -0.81 -0.17 0.00 0.00 175.17 176.47 1own n PRO 230 N 4.21 2.29 0.24 4.34 -0.04 -1.23 -4.77 135.00 140.05 1own n PRO 230 Ca -0.17 -2.00 0.18 0.00 -0.04 0.00 0.00 63.50 61.48 1own n PRO 230 Cb 0.52 -1.45 0.87 0.00 -0.04 0.00 0.00 33.50 33.40 1own n PRO 230 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1own h GLN 231 N 3.42 0.00 0.00 0.54 1.08 -0.56 -2.01 115.11 117.57 1own h GLN 231 Ca 0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1own h GLN 231 Cb 0.77 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1own h GLN 231 CO 0.00 0.00 -0.17 0.07 -0.95 0.00 0.00 178.83 177.78 1own h ARG 232 N 0.00 0.00 0.00 1.46 0.11 0.20 -2.95 114.38 113.20 1own h ARG 232 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 1own h ARG 232 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 1own h ARG 232 CO -0.00 0.17 0.00 -0.91 0.10 0.00 0.00 179.97 179.32 1own h ASN 233 N 0.00 0.00 -3.59 0.08 2.35 -1.61 -3.44 115.58 109.37 1own h ASN 233 Ca -0.00 0.00 -0.70 0.00 -0.55 0.00 0.00 56.30 55.05 1own h ASN 233 Cb 0.31 0.00 -0.30 0.00 0.05 0.00 0.00 38.32 38.38 1own h ASN 233 CO 0.02 0.00 -0.57 -0.36 -1.65 0.00 0.00 177.43 174.88 1own s PHE 234 N -3.39 3.32 0.54 1.19 0.08 -1.11 -4.84 117.98 113.77 1own s PHE 234 Ca 0.04 -1.62 0.29 0.00 0.12 0.00 0.00 56.93 55.76 1own s PHE 234 Cb 0.09 -2.59 1.46 0.00 -0.57 0.00 0.00 43.02 41.41 1own s PHE 234 CO 0.48 -0.80 1.93 -1.35 -0.10 0.00 0.00 175.22 175.37 1own h PRO 235 N 8.23 0.00 -0.24 0.24 0.11 -1.85 0.23 132.00 138.73 1own h PRO 235 Ca -0.22 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.77 1own h PRO 235 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1own h PRO 235 CO 0.65 0.00 -0.37 0.00 -0.21 0.00 0.00 178.00 178.08 1own h ALA 236 N 1.61 0.91 -2.40 -0.75 0.00 -1.93 -3.43 119.26 113.27 1own h ALA 236 Ca 0.36 -0.42 -0.48 0.00 0.00 0.00 0.00 54.91 54.37 1own h ALA 236 Cb 1.45 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1own h ALA 236 CO -0.00 0.63 0.23 -1.21 0.00 0.00 0.00 179.25 178.89 1own s GLU 237 N -4.30 4.33 -1.22 0.00 0.41 0.07 -4.95 118.70 113.04 1own s GLU 237 Ca -0.07 1.05 -0.06 0.00 -0.41 0.00 0.00 54.97 55.47 1own s GLU 237 Cb 0.13 -2.68 0.20 0.00 -1.78 0.00 0.00 34.13 30.00 1own s GLU 237 CO 0.81 0.25 1.93 0.00 -0.49 0.00 0.00 175.26 177.77 1own n ALA 238 N 0.30 5.82 1.32 5.21 0.00 -1.26 -4.70 120.51 127.20 1own n ALA 238 Ca 0.01 -4.39 0.13 0.00 0.00 0.00 0.00 53.44 49.20 1own n ALA 238 Cb 0.51 -2.71 0.38 0.00 0.00 0.00 0.00 19.45 17.64 1own n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1own n GLY 239 N 1.87 -0.02 3.93 0.00 0.00 -1.26 -4.95 105.19 104.76 1own n GLY 239 Ca 0.44 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 1own n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1own s THR 240 N -2.17 2.61 0.17 2.61 -4.23 -1.26 -4.48 115.64 108.89 1own s THR 240 Ca 0.31 -1.24 0.02 0.00 -1.18 0.00 0.00 61.69 59.60 1own s THR 240 Cb 0.20 -2.85 -0.13 0.00 1.34 0.00 0.00 72.50 71.06 1own s THR 240 CO 0.40 0.00 1.40 0.77 -0.54 0.00 0.00 174.62 176.65 1own h SER 241 N 0.83 0.30 -0.25 3.99 4.64 -1.99 -3.47 113.55 117.60 1own h SER 241 Ca -0.40 -0.23 -0.11 0.00 -0.47 0.00 0.00 61.79 60.59 1own h SER 241 Cb 1.27 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 1own h SER 241 CO 0.53 1.00 -0.10 0.61 -0.87 0.00 0.00 176.83 178.00 1own n GLY 242 N 0.76 0.78 0.35 -0.77 0.00 -1.26 -4.91 105.19 100.13 1own n GLY 242 Ca -0.04 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.36 1own n GLY 242 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1own n LEU 243 N -0.59 1.23 -0.28 0.99 4.77 -1.26 -4.04 117.00 117.82 1own n LEU 243 Ca -0.05 -0.37 -0.01 0.00 -0.03 0.00 0.00 56.01 55.55 1own n LEU 243 Cb 0.18 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1own n LEU 243 CO 0.08 0.22 0.65 0.77 -1.33 0.00 0.00 177.39 177.77 1own h SER 244 N 1.73 -1.07 0.28 -1.43 4.64 -1.99 0.18 113.55 115.89 1own h SER 244 Ca 0.00 0.26 -0.06 0.00 -0.47 0.00 0.00 61.79 61.51 1own h SER 244 Cb 0.50 0.60 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1own h SER 244 CO 0.00 -0.29 -0.29 1.55 -0.87 0.00 0.00 176.83 176.93 1own h PRO 245 N -0.06 0.02 -0.08 4.77 0.13 -1.83 0.10 132.00 135.04 1own h PRO 245 Ca 0.33 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 65.35 1own h PRO 245 Cb 0.58 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1own h PRO 245 CO -0.82 0.31 -0.41 0.00 -0.23 0.00 0.00 178.00 176.85 1own h ALA 246 N 1.69 1.16 0.16 -0.56 0.00 -1.03 -1.14 119.26 119.54 1own h ALA 246 Ca 0.00 -0.40 -0.29 0.00 0.00 0.00 0.00 54.91 54.21 1own h ALA 246 Cb 0.53 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.25 1own h ALA 246 CO 0.04 0.57 -1.29 -0.07 0.00 0.00 0.00 179.25 178.50 1own h LEU 247 N 0.15 0.64 -0.73 0.00 3.38 -0.36 0.51 115.31 118.91 1own h LEU 247 Ca 0.01 -0.65 -0.08 0.00 0.09 0.00 0.00 57.88 57.25 1own h LEU 247 Cb 0.79 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1own h LEU 247 CO 0.06 1.50 0.04 0.50 0.09 0.00 0.00 178.44 180.63 1own h LYS 248 N 0.14 1.01 -0.34 1.13 3.11 -0.83 -3.02 116.57 117.77 1own h LYS 248 Ca -0.18 -0.29 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 1own h LYS 248 Cb 1.99 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 33.11 1own h LYS 248 CO 0.23 0.97 0.00 1.19 -2.81 0.00 0.00 179.45 179.03 1own n PHE 249 N -4.20 0.43 -2.50 1.91 3.72 -0.44 -4.81 117.46 111.57 1own n PHE 249 Ca 0.03 -0.22 -0.16 0.00 -0.05 0.00 0.00 57.45 57.05 1own n PHE 249 Cb 0.32 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.86 1own n PHE 249 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1own n GLY 250 N 1.47 -0.24 0.28 1.37 0.00 -0.12 -1.09 105.19 106.85 1own n GLY 250 Ca 0.18 -0.19 0.17 0.00 0.00 0.00 0.00 46.02 46.18 1own n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1own h ALA 251 N 0.73 1.03 -3.70 4.61 0.00 -0.25 -3.14 119.26 118.55 1own h ALA 251 Ca -0.38 -0.04 -0.44 0.00 0.00 0.00 0.00 54.91 54.05 1own h ALA 251 Cb 1.27 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.81 1own h ALA 251 CO 0.43 0.05 -0.79 -1.50 0.00 0.00 0.00 179.25 177.44 1own s ILE 252 N -3.78 1.13 0.21 0.00 1.10 -1.14 -4.23 121.20 114.50 1own s ILE 252 Ca -0.00 -1.07 -0.21 0.00 -0.51 0.00 0.00 60.65 58.87 1own s ILE 252 Cb 0.10 -1.04 -0.08 0.00 0.15 0.00 0.00 42.46 41.59 1own s ILE 252 CO 0.54 -0.03 0.73 -0.83 -2.11 0.00 0.00 174.94 173.24 1own s GLY 253 N -1.26 2.68 0.48 1.50 0.00 -1.26 -4.73 107.32 104.72 1own s GLY 253 Ca 0.01 0.20 0.21 0.00 0.00 0.00 0.00 44.72 45.14 1own s GLY 253 CO 0.01 0.59 2.02 1.19 0.00 0.00 0.00 173.10 176.92 1own h ILE 254 N 2.88 0.86 -0.00 0.90 6.09 -1.86 -1.97 117.51 124.41 1own h ILE 254 Ca -0.48 -0.62 -0.23 0.00 -1.37 0.00 0.00 64.86 62.16 1own h ILE 254 Cb 1.20 1.36 0.01 0.00 0.47 0.00 0.00 36.82 39.85 1own h ILE 254 CO 0.65 0.16 -0.96 0.03 -3.07 0.00 0.00 178.15 174.96 1own h ARG 255 N 0.00 0.47 -0.52 2.19 3.08 -1.89 -2.11 114.38 115.59 1own h ARG 255 Ca -0.00 -0.50 -0.05 0.00 0.07 0.00 0.00 59.98 59.50 1own h ARG 255 Cb 0.34 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1own h ARG 255 CO 0.02 1.15 0.14 1.96 -1.07 0.00 0.00 179.97 182.17 1own h GLN 256 N 0.26 0.83 -0.04 0.04 4.20 -1.81 0.50 115.11 119.09 1own h GLN 256 Ca -0.09 -0.19 0.01 0.00 0.06 0.00 0.00 58.65 58.44 1own h GLN 256 Cb 1.60 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.26 1own h GLN 256 CO 0.17 0.78 -0.01 0.00 -0.67 0.00 0.00 178.83 179.11 1own h ALA 257 N 1.01 0.03 -0.56 3.87 0.00 -1.35 -0.08 119.26 122.18 1own h ALA 257 Ca 0.17 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1own h ALA 257 Cb 0.32 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1own h ALA 257 CO -0.00 -0.49 0.25 2.35 0.00 0.00 0.00 179.25 181.36 1own h TRP 258 N 0.00 0.83 -0.68 0.00 2.91 -1.16 -2.23 115.95 115.62 1own h TRP 258 Ca 0.02 -0.05 -0.04 0.00 1.13 0.00 0.00 58.89 59.95 1own h TRP 258 Cb 0.03 -0.25 -0.03 0.00 -0.51 0.00 0.00 29.16 28.40 1own h TRP 258 CO -0.11 0.65 0.28 0.37 -1.03 0.00 0.00 178.44 178.61 1own h GLN 259 N 0.76 1.01 -0.38 2.65 4.15 -0.69 0.01 115.11 122.62 1own h GLN 259 Ca 0.19 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1own h GLN 259 Cb 0.16 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1own h GLN 259 CO -0.02 0.83 0.21 0.00 -1.93 0.00 0.00 178.83 177.92 1own h ALA 260 N 1.13 0.49 -0.49 3.38 0.00 -0.80 0.13 119.26 123.09 1own h ALA 260 Ca 0.23 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1own h ALA 260 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1own h ALA 260 CO -0.02 0.02 0.08 0.00 0.00 0.00 0.00 179.25 179.33 1own h ALA 261 N 1.06 0.65 -0.73 0.00 0.00 -1.24 -1.86 119.26 117.15 1own h ALA 261 Ca 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1own h ALA 261 Cb 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1own h ALA 261 CO -0.02 0.38 0.39 1.03 0.00 0.00 0.00 179.25 181.03 1own h SER 262 N 0.69 0.92 0.07 0.00 0.87 -0.68 -1.24 113.55 114.18 1own h SER 262 Ca 0.15 -0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.52 1own h SER 262 Cb 0.39 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1own h SER 262 CO 0.01 0.76 -0.26 0.00 -0.53 0.00 0.00 176.83 176.80 1own h ALA 263 N 1.20 1.24 -0.15 6.23 0.00 -0.60 -1.57 119.26 125.62 1own h ALA 263 Ca 0.25 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1own h ALA 263 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1own h ALA 263 CO -0.04 0.50 -0.49 0.00 0.00 0.00 0.00 179.25 179.22 1own h ALA 264 N 1.45 0.88 -0.16 0.00 0.00 -0.74 -1.23 119.26 119.45 1own h ALA 264 Ca 0.04 -0.48 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 1own h ALA 264 Cb 0.62 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1own h ALA 264 CO 0.04 0.66 -0.52 1.25 0.00 0.00 0.00 179.25 180.69 1own h HIS 265 N 0.31 0.57 0.00 0.00 6.17 -0.74 -0.79 115.15 120.67 1own h HIS 265 Ca 0.01 -0.19 -0.15 0.00 0.71 0.00 0.00 60.37 60.75 1own h HIS 265 Cb 0.98 -0.11 -0.02 0.00 2.52 0.00 0.00 27.41 30.78 1own h HIS 265 CO 0.03 0.88 -0.73 0.00 0.71 0.00 0.00 177.93 178.82 1own h ALA 266 N 1.08 0.72 0.03 5.26 0.00 -1.13 -3.20 119.26 122.01 1own h ALA 266 Ca 0.01 -0.67 -0.23 0.00 0.00 0.00 0.00 54.91 54.02 1own h ALA 266 Cb 1.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1own h ALA 266 CO 0.09 0.92 -1.11 1.25 0.00 0.00 0.00 179.25 180.40 1own h LEU 267 N 0.00 0.10 -9.92 0.00 5.85 -1.09 -3.46 115.31 106.79 1own h LEU 267 Ca -0.01 -0.11 -0.52 0.00 0.84 0.00 0.00 57.88 58.08 1own h LEU 267 Cb 1.36 -0.03 0.06 0.00 0.37 0.00 0.00 40.66 42.42 1own h LEU 267 CO 0.10 1.09 0.57 -0.55 -0.34 0.00 0.00 178.44 179.30 1own s SER 268 N -6.77 6.52 -0.12 1.25 0.15 -0.31 -4.93 113.70 109.49 1own s SER 268 Ca -0.01 2.53 0.16 0.00 0.70 0.00 0.00 55.95 59.34 1own s SER 268 Cb 0.09 -2.63 0.26 0.00 -1.71 0.00 0.00 66.02 62.03 1own s SER 268 CO 0.83 -0.69 1.13 -2.11 1.20 0.00 0.00 173.24 173.61 1own n ARG 269 N 0.30 1.11 -5.03 5.44 0.00 -1.26 -4.96 116.66 112.25 1own n ARG 269 Ca 0.03 -2.41 -0.32 0.00 -0.00 0.00 0.00 57.85 55.15 1own n ARG 269 Cb 0.44 -1.36 -0.17 0.00 -0.00 0.00 0.00 32.46 31.38 1own n ARG 269 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1own s SER 270 N -2.64 3.23 0.17 2.89 0.15 -1.26 -5.04 113.70 111.20 1own s SER 270 Ca 0.28 -0.54 -0.14 0.00 0.70 0.00 0.00 55.95 56.25 1own s SER 270 Cb 0.25 -1.45 0.12 0.00 -1.71 0.00 0.00 66.02 63.23 1own s SER 270 CO 0.02 0.14 1.76 0.44 1.20 0.00 0.00 173.24 176.80 1own h ASP 271 N 6.85 0.21 -0.64 5.45 3.45 -1.99 -0.86 116.42 128.89 1own h ASP 271 Ca -0.23 0.04 0.03 0.00 0.43 0.00 0.00 57.03 57.30 1own h ASP 271 Cb 1.23 0.02 -0.04 0.00 -0.56 0.00 0.00 39.33 39.97 1own h ASP 271 CO 0.50 0.15 0.40 -0.33 -1.57 0.00 0.00 179.24 178.39 1own h GLU 272 N 0.36 0.76 -0.31 3.56 5.08 -1.96 -0.59 114.58 121.49 1own h GLU 272 Ca 0.21 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1own h GLU 272 Cb 0.18 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1own h GLU 272 CO -0.19 0.50 0.12 0.00 -1.00 0.00 0.00 179.01 178.43 1own h ALA 273 N 1.28 0.40 -0.25 3.43 0.00 -1.63 -0.30 119.26 122.19 1own h ALA 273 Ca 0.26 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1own h ALA 273 Cb 0.02 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 1own h ALA 273 CO -0.10 0.01 -0.20 0.00 0.00 0.00 0.00 179.25 178.96 1own h ARG 274 N 0.35 -0.18 -0.83 0.00 2.47 -0.68 0.31 114.38 115.82 1own h ARG 274 Ca 0.10 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.87 1own h ARG 274 Cb 0.20 0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.51 1own h ARG 274 CO -0.01 -0.12 0.53 -0.97 0.56 0.00 0.00 179.97 179.96 1own h ASN 275 N -0.19 0.88 -0.86 7.04 -1.24 -0.90 -0.51 115.58 119.81 1own h ASN 275 Ca 0.14 -0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.16 1own h ASN 275 Cb 0.40 -0.19 -0.05 0.00 0.73 0.00 0.00 38.32 39.21 1own h ASN 275 CO -0.37 0.60 0.56 0.28 -1.29 0.00 0.00 177.43 177.22 1own h SER 276 N 1.03 0.96 -0.08 1.15 0.02 0.48 -0.40 113.55 116.71 1own h SER 276 Ca 0.33 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 61.10 1own h SER 276 Cb 0.02 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.32 1own h SER 276 CO -0.12 0.68 -0.53 0.40 -1.14 0.00 0.00 176.83 176.13 1own h ILE 277 N 1.13 1.30 -0.63 3.27 5.03 -0.40 -2.11 117.51 125.11 1own h ILE 277 Ca 0.32 -1.75 -0.08 0.00 -0.12 0.00 0.00 64.86 63.23 1own h ILE 277 Cb -0.09 1.70 -0.02 0.00 -3.03 0.00 0.00 36.82 35.38 1own h ILE 277 CO -0.08 0.56 0.07 0.03 -0.68 0.00 0.00 178.15 178.04 1own h ARG 278 N 0.51 1.06 -0.65 2.37 2.47 -0.71 -1.17 114.38 118.26 1own h ARG 278 Ca 0.01 -0.29 -0.01 0.00 -1.26 0.00 0.00 59.98 58.43 1own h ARG 278 Cb 1.09 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 29.26 1own h ARG 278 CO 0.11 0.99 0.35 0.28 0.56 0.00 0.00 179.97 182.26 1own h VAL 279 N 0.98 1.20 -0.76 2.04 2.07 -0.92 -0.26 116.25 120.61 1own h VAL 279 Ca 0.19 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1own h VAL 279 Cb 0.46 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1own h VAL 279 CO 0.02 0.22 0.31 -0.25 0.02 0.00 0.00 177.57 177.89 1own h TRP 280 N 0.88 1.16 -0.14 1.57 7.01 -0.95 -1.43 115.95 124.04 1own h TRP 280 Ca 0.23 -0.09 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 1own h TRP 280 Cb 0.04 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 26.75 1own h TRP 280 CO -0.01 0.88 -0.00 1.96 -2.79 0.00 0.00 178.44 178.48 1own h GLN 281 N 1.10 0.20 -0.73 2.65 4.20 -0.54 -1.05 115.11 120.94 1own h GLN 281 Ca 0.25 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 1own h GLN 281 Cb 0.21 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1own h GLN 281 CO -0.02 0.23 0.33 0.37 -0.67 0.00 0.00 178.83 179.06 1own h GLN 282 N 0.20 1.05 -0.91 1.46 5.75 0.03 -2.13 115.11 120.56 1own h GLN 282 Ca 0.05 -0.16 0.05 0.00 -0.15 0.00 0.00 58.65 58.44 1own h GLN 282 Cb 0.14 -0.19 -0.06 0.00 1.07 0.00 0.00 27.48 28.45 1own h GLN 282 CO 0.00 0.82 0.58 0.93 -2.65 0.00 0.00 178.83 178.52 1own h GLU 283 N 1.04 1.06 0.00 1.69 4.39 -0.83 0.85 114.58 122.77 1own h GLU 283 Ca 0.25 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.83 1own h GLU 283 Cb 0.14 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1own h GLU 283 CO -0.03 0.70 -0.25 -0.07 -1.16 0.00 0.00 179.01 178.20 1own h LEU 284 N 1.09 0.00 -0.21 1.33 3.38 -1.31 -1.49 115.31 118.10 1own h LEU 284 Ca 0.38 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.17 1own h LEU 284 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1own h LEU 284 CO -0.15 0.25 -0.58 0.00 0.09 0.00 0.00 178.44 178.05 1own h ALA 285 N 1.75 0.36 -0.61 1.53 0.00 -0.51 -2.61 119.26 119.15 1own h ALA 285 Ca -0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1own h ALA 285 Cb 0.46 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1own h ALA 285 CO 0.03 0.59 0.34 -1.49 0.00 0.00 0.00 179.25 178.73 1own h TRP 286 N 0.50 0.82 -0.48 0.00 4.06 -0.59 -0.17 115.95 120.09 1own h TRP 286 Ca -0.01 -0.01 0.01 0.00 2.06 0.00 0.00 58.89 60.94 1own h TRP 286 Cb 1.20 -0.27 -0.03 0.00 -1.00 0.00 0.00 29.16 29.07 1own h TRP 286 CO 0.09 0.57 0.31 -0.09 -3.56 0.00 0.00 178.44 175.76 1own h ARG 287 N 0.85 0.62 0.00 0.49 2.43 -1.11 -2.21 114.38 115.46 1own h ARG 287 Ca 0.22 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.23 1own h ARG 287 Cb 0.01 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1own h ARG 287 CO -0.04 0.41 -0.59 0.93 -1.51 0.00 0.00 179.97 179.18 1own h GLU 288 N 0.64 0.00 -0.18 0.20 5.08 -1.00 -1.97 114.58 117.36 1own h GLU 288 Ca 0.18 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1own h GLU 288 Cb -0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1own h GLU 288 CO -0.05 0.59 0.10 0.35 -1.00 0.00 0.00 179.01 179.00 1own h PHE 289 N 0.00 0.23 -0.18 4.33 3.57 -0.48 0.24 116.94 124.65 1own h PHE 289 Ca -0.01 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.30 1own h PHE 289 Cb 1.08 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1own h PHE 289 CO 0.00 0.20 -0.66 1.88 -2.23 0.00 0.00 178.31 177.51 1own h TYR 290 N 0.20 0.89 -0.44 0.41 0.05 -1.39 -1.08 116.97 115.62 1own h TYR 290 Ca 0.06 -0.36 -0.09 0.00 0.05 0.00 0.00 58.73 58.40 1own h TYR 290 Cb 0.04 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 1own h TYR 290 CO -0.05 1.15 -0.06 1.96 -1.05 0.00 0.00 178.16 180.11 1own h GLN 291 N 0.50 0.81 -0.77 4.88 4.20 -1.22 -0.79 115.11 122.73 1own h GLN 291 Ca -0.02 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.36 1own h GLN 291 Cb 1.25 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.94 1own h GLN 291 CO 0.13 0.91 0.33 0.45 -0.67 0.00 0.00 178.83 179.97 1own h HIS 292 N 0.65 1.15 -0.59 2.96 3.86 -0.51 -1.79 115.15 120.87 1own h HIS 292 Ca 0.12 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1own h HIS 292 Cb 0.58 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 1own h HIS 292 CO 0.04 0.86 0.33 0.00 0.86 0.00 0.00 177.93 180.02 1own h ALA 293 N 1.17 0.76 -0.61 2.45 0.00 -0.85 0.12 119.26 122.30 1own h ALA 293 Ca 0.26 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1own h ALA 293 Cb 0.18 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1own h ALA 293 CO -0.02 0.27 0.16 1.25 0.00 0.00 0.00 179.25 180.91 1own h LEU 294 N 0.80 0.88 0.14 0.00 5.85 -0.87 0.51 115.31 122.62 1own h LEU 294 Ca 0.21 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1own h LEU 294 Cb 0.04 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.84 1own h LEU 294 CO -0.03 0.85 -0.07 0.22 -0.34 0.00 0.00 178.44 179.06 1own h TYR 295 N 0.90 -0.18 -0.13 1.25 3.20 -0.68 -2.40 116.97 118.94 1own h TYR 295 Ca 0.20 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.90 1own h TYR 295 Cb 0.31 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1own h TYR 295 CO 0.02 0.07 -0.60 0.45 -1.64 0.00 0.00 178.16 176.46 1own h HIS 296 N -0.41 0.56 -2.25 -3.82 3.86 -0.57 -3.36 115.15 109.16 1own h HIS 296 Ca -0.02 -0.21 -0.59 0.00 -1.16 0.00 0.00 60.37 58.38 1own h HIS 296 Cb 0.33 -0.10 -0.41 0.00 1.06 0.00 0.00 27.41 28.29 1own h HIS 296 CO 0.00 0.93 -0.69 1.19 0.86 0.00 0.00 177.93 180.21 1own n PHE 297 N -3.91 2.77 0.13 2.45 3.72 0.18 -4.95 117.46 117.84 1own n PHE 297 Ca -0.03 -4.04 0.19 0.00 -0.05 0.00 0.00 57.45 53.52 1own n PHE 297 Cb 0.63 -0.51 0.77 0.00 -0.94 0.00 0.00 39.48 39.43 1own n PHE 297 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1own h PRO 298 N 4.29 0.00 0.00 -1.08 0.13 -1.59 -0.97 132.00 132.79 1own h PRO 298 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1own h PRO 298 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1own h PRO 298 CO 0.75 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.18 1own h SER 299 N 0.00 0.00 -0.95 1.44 4.64 -1.92 -2.47 113.55 114.29 1own h SER 299 Ca 0.16 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.69 1own h SER 299 Cb 0.88 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.89 1own h SER 299 CO -0.00 0.00 0.62 -0.07 -0.87 0.00 0.00 176.83 176.51 1own h LEU 300 N 0.00 0.48 -1.65 5.97 3.38 -1.48 0.26 115.31 122.27 1own h LEU 300 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1own h LEU 300 Cb 0.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1own h LEU 300 CO 0.00 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.70 1own h ALA 301 N 1.61 1.00 0.00 1.53 0.00 -1.67 -2.80 119.26 118.94 1own h ALA 301 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1own h ALA 301 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1own h ALA 301 CO -0.23 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 178.58 1own h ASP 302 N 0.00 0.00 -0.89 0.00 3.32 -0.69 -3.50 116.42 114.67 1own h ASP 302 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1own h ASP 302 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1own h ASP 302 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1own n GLY 303 N 0.61 0.86 3.60 2.75 0.00 -1.06 -5.07 105.19 106.89 1own n GLY 303 Ca 0.03 -1.99 -0.65 0.00 0.00 0.00 0.00 46.02 43.40 1own n GLY 303 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1own n PRO 304 N 0.00 0.00 -0.04 1.61 -0.02 -1.26 -4.79 135.00 130.50 1own n PRO 304 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.46 1own n PRO 304 Cb 0.00 -1.46 -0.02 0.00 -0.02 0.00 0.00 33.50 32.00 1own n PRO 304 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1own h TYR 305 N 5.36 -0.02 -3.56 6.00 3.20 -1.62 -3.40 116.97 122.93 1own h TYR 305 Ca -0.39 -0.00 -0.53 0.00 3.14 0.00 0.00 58.73 60.95 1own h TYR 305 Cb 1.34 0.01 0.09 0.00 1.54 0.00 0.00 36.73 39.71 1own h TYR 305 CO 0.67 0.12 0.85 1.03 -1.64 0.00 0.00 178.16 179.19 1own s ARG 306 N -1.71 4.11 0.23 1.82 0.52 0.12 -4.82 118.95 119.23 1own s ARG 306 Ca -0.03 2.58 -0.14 0.00 -0.52 0.00 0.00 55.73 57.62 1own s ARG 306 Cb -0.00 -3.00 0.28 0.00 0.52 0.00 0.00 34.95 32.74 1own s ARG 306 CO 0.10 -0.60 1.59 0.66 0.02 0.00 0.00 175.30 177.07 1own h SER 307 N 4.14 -0.95 -0.57 0.23 4.64 -1.90 -1.06 113.55 118.08 1own h SER 307 Ca -0.48 0.25 0.10 0.00 -0.47 0.00 0.00 61.79 61.19 1own h SER 307 Cb 1.23 0.56 -0.08 0.00 -0.31 0.00 0.00 62.40 63.79 1own h SER 307 CO 0.74 -0.28 0.12 0.25 -0.87 0.00 0.00 176.83 176.79 1own h LEU 308 N -0.04 0.01 -1.52 5.97 7.12 -1.98 -1.39 115.31 123.47 1own h LEU 308 Ca 0.35 0.10 -0.03 0.00 0.13 0.00 0.00 57.88 58.43 1own h LEU 308 Cb 0.58 0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 40.85 1own h LEU 308 CO -0.82 0.02 -0.12 -0.50 -0.13 0.00 0.00 178.44 176.89 1own h TRP 309 N 0.26 0.00 0.00 1.25 4.06 -1.57 -1.74 115.95 118.20 1own h TRP 309 Ca 0.30 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.25 1own h TRP 309 Cb 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.59 1own h TRP 309 CO -0.24 0.12 0.00 1.04 -3.56 0.00 0.00 178.44 175.80 1own n GLN 310 N -3.34 0.17 -0.12 0.49 6.02 -0.53 -2.31 117.38 117.76 1own n GLN 310 Ca -0.00 0.43 0.04 0.00 -0.01 0.00 0.00 57.00 57.46 1own n GLN 310 Cb 0.33 -1.84 0.11 0.00 1.02 0.00 0.00 30.24 29.85 1own n GLN 310 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1own n GLN 311 N -2.16 2.91 -1.94 -1.09 6.02 -0.66 -5.04 117.38 115.42 1own n GLN 311 Ca 0.02 -1.89 -0.42 0.00 -0.01 0.00 0.00 57.00 54.70 1own n GLN 311 Cb 0.20 -1.19 -0.02 0.00 1.02 0.00 0.00 30.24 30.24 1own n GLN 311 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1own s PHE 312 N -1.00 2.98 -1.37 1.08 5.36 -0.98 -4.89 117.98 119.16 1own s PHE 312 Ca 0.16 0.86 -0.16 0.00 -0.96 0.00 0.00 56.93 56.83 1own s PHE 312 Cb 0.09 -3.90 0.04 0.00 -0.34 0.00 0.00 43.02 38.91 1own s PHE 312 CO 0.11 -3.06 2.04 -0.35 -1.46 0.00 0.00 175.22 172.50 1own n PRO 313 N 2.79 2.90 -1.81 10.12 -0.04 -1.26 -4.97 135.00 142.73 1own n PRO 313 Ca 0.09 -2.81 -0.42 0.00 -0.04 0.00 0.00 63.50 60.32 1own n PRO 313 Cb 0.39 -3.36 -0.03 0.00 -0.04 0.00 0.00 33.50 30.47 1own n PRO 313 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1own s TRP 314 N 3.78 2.91 0.01 0.54 0.52 -1.26 -4.92 118.94 120.52 1own s TRP 314 Ca 0.50 0.58 -0.23 0.00 0.02 0.00 0.00 56.10 56.97 1own s TRP 314 Cb 0.10 -4.05 -0.17 0.00 -1.15 0.00 0.00 33.47 28.20 1own s TRP 314 CO -0.02 -3.79 1.33 1.49 0.02 0.00 0.00 176.95 175.98 1own h GLU 315 N 6.11 0.17 -5.51 4.98 4.81 -1.79 -3.48 114.58 119.87 1own h GLU 315 Ca -0.44 -0.09 -0.27 0.00 -0.13 0.00 0.00 59.36 58.43 1own h GLU 315 Cb 1.21 -0.00 0.19 0.00 0.63 0.00 0.00 28.75 30.78 1own h GLU 315 CO 0.89 0.58 -0.85 0.09 -0.73 0.00 0.00 179.01 178.99 1own n ASN 316 N -4.73 -5.88 -4.50 1.04 3.02 -1.12 -4.94 115.26 98.16 1own n ASN 316 Ca -0.07 -0.71 -0.43 0.00 -0.03 0.00 0.00 54.58 53.34 1own n ASN 316 Cb 0.29 -5.14 -0.04 0.00 -0.61 0.00 0.00 39.78 34.28 1own n ASN 316 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1own s ARG 317 N -4.60 3.25 0.31 3.52 0.52 -1.26 -4.90 118.95 115.79 1own s ARG 317 Ca 0.39 -0.48 0.09 0.00 -0.52 0.00 0.00 55.73 55.20 1own s ARG 317 Cb -0.05 -4.10 0.88 0.00 0.52 0.00 0.00 34.95 32.20 1own s ARG 317 CO 0.74 -1.53 1.70 1.49 0.02 0.00 0.00 175.30 177.72 1own h GLU 318 N 9.33 0.42 -0.87 3.54 4.57 -1.99 -0.34 114.58 129.24 1own h GLU 318 Ca -0.27 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 57.91 1own h GLU 318 Cb 1.08 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.52 1own h GLU 318 CO 1.09 0.28 0.57 0.00 -1.18 0.00 0.00 179.01 179.77 1own h ALA 319 N 1.76 1.43 -0.40 2.92 0.00 -1.99 0.23 119.26 123.20 1own h ALA 319 Ca 0.64 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.37 1own h ALA 319 Cb 1.29 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1own h ALA 319 CO -0.54 0.51 -0.25 -0.07 0.00 0.00 0.00 179.25 178.89 1own h LEU 320 N 1.12 0.85 0.02 0.00 3.38 -1.47 -1.64 115.31 117.58 1own h LEU 320 Ca 0.33 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1own h LEU 320 Cb -0.04 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1own h LEU 320 CO -0.09 1.06 -0.01 0.15 0.09 0.00 0.00 178.44 179.64 1own h PHE 321 N 0.72 -0.03 -0.45 1.13 3.57 -1.15 -1.27 116.94 119.46 1own h PHE 321 Ca 0.09 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.67 1own h PHE 321 Cb 0.79 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.47 1own h PHE 321 CO 0.04 0.21 0.02 1.15 -2.23 0.00 0.00 178.31 177.50 1own h THR 322 N -0.26 0.68 -0.99 4.41 2.02 -0.89 0.18 112.91 118.06 1own h THR 322 Ca -0.00 -0.05 0.06 0.00 0.77 0.00 0.00 66.41 67.19 1own h THR 322 Cb 0.25 0.52 -0.07 0.00 -1.74 0.00 0.00 68.15 67.12 1own h THR 322 CO 0.01 0.03 0.64 0.00 0.37 0.00 0.00 175.52 176.56 1own h ALA 323 N 1.39 1.37 -0.07 6.16 0.00 -1.13 -1.13 119.26 125.84 1own h ALA 323 Ca 0.23 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1own h ALA 323 Cb 0.32 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1own h ALA 323 CO -0.35 0.46 0.03 2.35 0.00 0.00 0.00 179.25 181.73 1own h TRP 324 N 1.18 0.11 0.00 0.00 7.01 0.38 0.62 115.95 125.25 1own h TRP 324 Ca 0.42 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.40 1own h TRP 324 Cb 0.13 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.16 1own h TRP 324 CO -0.00 0.24 -0.07 1.79 -2.79 0.00 0.00 178.44 177.60 1own h THR 325 N -0.05 0.39 -0.38 2.65 1.35 -0.22 -2.45 112.91 114.20 1own h THR 325 Ca 0.02 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1own h THR 325 Cb 0.17 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1own h THR 325 CO -0.00 0.07 0.00 0.00 -0.25 0.00 0.00 175.52 175.34 1own n GLN 326 N -3.49 2.46 -3.50 4.72 6.02 -0.48 -4.95 117.38 118.15 1own n GLN 326 Ca -0.02 -2.21 -0.21 0.00 -0.01 0.00 0.00 57.00 54.55 1own n GLN 326 Cb 0.20 -1.51 0.08 0.00 1.02 0.00 0.00 30.24 30.03 1own n GLN 326 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1own n ALA 327 N 1.41 -1.37 -1.80 -1.58 0.00 -0.87 -4.92 120.51 111.38 1own n ALA 327 Ca 0.19 0.30 -0.01 0.00 0.00 0.00 0.00 53.44 53.92 1own n ALA 327 Cb 0.59 -4.69 0.15 0.00 0.00 0.00 0.00 19.45 15.49 1own n ALA 327 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1own n GLN 328 N -4.62 1.91 0.15 0.00 1.13 0.15 -4.77 117.38 111.34 1own n GLN 328 Ca -0.05 -3.40 0.02 0.00 -1.94 0.00 0.00 57.00 51.63 1own n GLN 328 Cb 0.58 -1.63 0.19 0.00 0.11 0.00 0.00 30.24 29.48 1own n GLN 328 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1own h THR 329 N 1.87 1.10 0.00 5.09 1.35 -1.90 -3.45 112.91 116.98 1own h THR 329 Ca 0.06 -2.00 0.00 0.00 -0.55 0.00 0.00 66.41 63.91 1own h THR 329 Cb 1.20 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.79 1own h THR 329 CO 0.18 0.52 0.00 0.61 -0.25 0.00 0.00 175.52 176.58 1own n GLY 330 N 0.54 0.66 3.31 5.82 0.00 -1.26 0.04 105.19 114.31 1own n GLY 330 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1own n GLY 330 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1own s TYR 331 N -2.41 3.30 0.21 1.61 1.51 -1.26 -4.13 117.35 116.19 1own s TYR 331 Ca 0.00 -1.31 -0.18 0.00 -1.01 0.00 0.00 57.07 54.56 1own s TYR 331 Cb 0.00 -3.13 0.19 0.00 -0.11 0.00 0.00 41.96 38.91 1own s TYR 331 CO 0.00 -0.85 1.58 -1.35 -1.11 0.00 0.00 175.55 173.82 1own h PRO 332 N 8.57 -0.08 -0.83 -1.71 0.11 -1.93 0.14 132.00 136.27 1own h PRO 332 Ca -0.25 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.89 1own h PRO 332 Cb 1.09 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 1own h PRO 332 CO 0.83 -0.06 0.55 0.97 -0.21 0.00 0.00 178.00 180.08 1own h ILE 333 N -0.09 1.16 -0.08 4.15 6.09 -1.93 0.23 117.51 127.03 1own h ILE 333 Ca 0.29 -0.36 -0.06 0.00 -1.37 0.00 0.00 64.86 63.36 1own h ILE 333 Cb 0.57 0.01 0.00 0.00 0.47 0.00 0.00 36.82 37.87 1own h ILE 333 CO -0.80 0.19 -0.17 0.58 -3.07 0.00 0.00 178.15 174.88 1own h VAL 334 N 1.06 1.40 -0.48 2.19 2.07 -1.47 -3.02 116.25 117.99 1own h VAL 334 Ca 0.32 -1.47 -0.07 0.00 0.82 0.00 0.00 66.70 66.30 1own h VAL 334 Cb -0.02 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1own h VAL 334 CO -0.09 0.42 0.00 0.44 0.02 0.00 0.00 177.57 178.36 1own h ASP 335 N -0.21 0.77 -0.26 0.57 3.32 -0.51 -1.50 116.42 118.61 1own h ASP 335 Ca 0.00 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 1own h ASP 335 Cb 0.76 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1own h ASP 335 CO 0.04 0.84 0.01 0.00 -1.72 0.00 0.00 179.24 178.41 1own h ALA 336 N 1.25 1.35 -0.04 3.45 0.00 -1.02 -1.22 119.26 123.02 1own h ALA 336 Ca 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1own h ALA 336 Cb 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1own h ALA 336 CO 0.02 0.45 -0.13 0.00 0.00 0.00 0.00 179.25 179.59 1own h ALA 337 N 1.48 0.07 -0.43 0.00 0.00 -1.32 -2.44 119.26 116.62 1own h ALA 337 Ca 0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1own h ALA 337 Cb 0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1own h ALA 337 CO 0.01 -0.02 0.24 0.52 0.00 0.00 0.00 179.25 180.00 1own h MET 338 N -0.39 0.58 -0.10 0.00 2.07 -1.13 -1.41 114.93 114.56 1own h MET 338 Ca -0.00 -0.05 -0.02 0.00 -2.07 0.00 0.00 59.70 57.56 1own h MET 338 Cb 0.75 -0.12 -0.00 0.00 -1.87 0.00 0.00 31.60 30.35 1own h MET 338 CO 0.03 0.43 -0.00 0.00 1.07 0.00 0.00 176.91 178.43 1own h ARG 339 N 0.59 0.18 -1.00 1.72 2.47 -1.23 -1.36 114.38 115.76 1own h ARG 339 Ca 0.15 -0.06 0.09 0.00 -1.26 0.00 0.00 59.98 58.91 1own h ARG 339 Cb 0.01 -0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 28.24 1own h ARG 339 CO -0.03 0.44 0.64 0.37 0.56 0.00 0.00 179.97 181.95 1own h GLN 340 N -0.10 1.04 0.90 0.04 4.15 -0.92 0.14 115.11 120.36 1own h GLN 340 Ca 0.03 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 1own h GLN 340 Cb 0.36 -0.24 0.01 0.00 0.21 0.00 0.00 27.48 27.83 1own h GLN 340 CO 0.01 0.69 -0.43 1.25 -1.93 0.00 0.00 178.83 178.42 1own h LEU 341 N 1.08 -1.02 -1.48 -2.39 5.85 -1.02 0.20 115.31 116.53 1own h LEU 341 Ca 0.47 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.18 1own h LEU 341 Cb 0.34 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1own h LEU 341 CO -0.22 -0.69 -0.05 0.71 -0.34 0.00 0.00 178.44 177.85 1own h THR 342 N -1.27 1.15 0.06 1.05 1.35 -0.96 0.57 112.91 114.87 1own h THR 342 Ca -0.12 -0.61 -0.28 0.00 -0.55 0.00 0.00 66.41 64.85 1own h THR 342 Cb 0.93 1.06 -0.02 0.00 -1.73 0.00 0.00 68.15 68.39 1own h THR 342 CO 0.20 0.20 -1.47 -0.33 -0.25 0.00 0.00 175.52 173.87 1own h GLU 343 N 0.27 0.14 -0.00 4.72 5.08 -0.69 -3.39 114.58 120.70 1own h GLU 343 Ca 0.06 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1own h GLU 343 Cb 0.26 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1own h GLU 343 CO 0.01 0.95 -0.03 0.25 -1.00 0.00 0.00 179.01 179.18 1own n THR 344 N -3.33 0.00 -1.40 1.13 -2.24 0.71 -4.32 114.28 104.82 1own n THR 344 Ca -0.13 -0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 61.04 1own n THR 344 Cb 1.02 1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 70.22 1own n THR 344 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1own n GLY 345 N 0.48 1.30 3.28 3.38 0.00 0.20 -4.63 105.19 109.20 1own n GLY 345 Ca 0.01 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 1own n GLY 345 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1own s TRP 346 N -2.47 -0.23 -0.06 1.61 -0.00 -1.25 -0.68 118.94 115.85 1own s TRP 346 Ca 0.00 0.32 -0.06 0.00 -0.00 0.00 0.00 56.10 56.36 1own s TRP 346 Cb 0.00 0.14 0.02 0.00 -0.00 0.00 0.00 33.47 33.63 1own s TRP 346 CO 0.00 -0.45 0.17 1.41 -0.00 0.00 0.00 176.95 178.08 1own s MET 347 N -1.57 0.19 0.26 5.86 -2.45 -1.26 -3.54 119.30 116.79 1own s MET 347 Ca -0.11 0.24 -0.30 0.00 -1.25 0.00 0.00 55.69 54.26 1own s MET 347 Cb -0.04 0.09 -0.11 0.00 1.25 0.00 0.00 34.83 36.02 1own s MET 347 CO 0.03 -0.03 1.56 -1.58 1.05 0.00 0.00 175.02 176.05 1own s HIS 348 N 0.14 2.88 0.34 4.11 2.46 -1.26 -4.77 115.29 119.18 1own s HIS 348 Ca -0.00 0.79 0.10 0.00 0.47 0.00 0.00 55.06 56.42 1own s HIS 348 Cb -0.02 -3.99 0.89 0.00 -0.13 0.00 0.00 32.58 29.33 1own s HIS 348 CO -0.00 -3.37 1.76 -0.97 -2.47 0.00 0.00 174.74 169.69 1own h ASN 349 N 5.31 0.66 -0.92 9.88 -0.73 -1.99 0.29 115.58 128.06 1own h ASN 349 Ca -0.46 0.10 -0.01 0.00 1.87 0.00 0.00 56.30 57.81 1own h ASN 349 Cb 1.22 -0.01 -0.04 0.00 0.27 0.00 0.00 38.32 39.75 1own h ASN 349 CO 0.82 0.17 0.54 -0.09 -0.37 0.00 0.00 177.43 178.51 1own h ARG 350 N 0.61 1.26 -0.42 6.67 9.65 -1.90 -1.07 114.38 129.18 1own h ARG 350 Ca 0.60 -0.12 -0.12 0.00 -1.10 0.00 0.00 59.98 59.23 1own h ARG 350 Cb 1.15 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 29.45 1own h ARG 350 CO -0.38 0.89 -0.22 0.00 2.80 0.00 0.00 179.97 183.06 1own h ARG 352 N 0.74 0.87 -0.82 0.00 3.08 -0.55 -0.29 114.38 117.41 1own h ARG 352 Ca 0.10 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1own h ARG 352 Cb 0.75 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 1own h ARG 352 CO 0.06 0.65 0.52 0.52 -1.07 0.00 0.00 179.97 180.65 1own h MET 353 N 0.85 0.95 0.37 0.04 2.86 -1.00 -0.67 114.93 118.33 1own h MET 353 Ca 0.22 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1own h MET 353 Cb 0.03 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.48 1own h MET 353 CO -0.04 0.63 -0.18 0.82 1.06 0.00 0.00 176.91 179.20 1own h ILE 354 N 0.98 0.55 -0.06 -1.22 5.03 -0.65 -1.13 117.51 121.00 1own h ILE 354 Ca 0.34 -0.59 -0.03 0.00 -0.12 0.00 0.00 64.86 64.47 1own h ILE 354 Cb 0.09 0.80 -0.01 0.00 -3.03 0.00 0.00 36.82 34.68 1own h ILE 354 CO -0.14 0.10 -0.09 -0.37 -0.68 0.00 0.00 178.15 176.96 1own h VAL 355 N -0.87 1.11 -0.09 1.67 -1.51 -1.02 0.19 116.25 115.73 1own h VAL 355 Ca -0.05 -0.47 -0.07 0.00 -1.23 0.00 0.00 66.70 64.88 1own h VAL 355 Cb 0.54 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 1own h VAL 355 CO 0.08 0.14 -0.21 0.00 -1.23 0.00 0.00 177.57 176.35 1own h ALA 356 N 1.82 0.15 -0.72 5.19 0.00 -1.13 -0.02 119.26 124.56 1own h ALA 356 Ca 0.02 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1own h ALA 356 Cb 0.22 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1own h ALA 356 CO 0.01 0.11 0.47 1.03 0.00 0.00 0.00 179.25 180.87 1own h SER 357 N -0.16 0.79 0.27 0.00 0.87 -0.69 -0.91 113.55 113.72 1own h SER 357 Ca -0.00 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1own h SER 357 Cb 0.81 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1own h SER 357 CO 0.05 0.56 -0.13 0.15 -0.53 0.00 0.00 176.83 176.93 1own h PHE 358 N 0.94 -0.33 -0.57 2.24 3.57 -0.54 0.37 116.94 122.63 1own h PHE 358 Ca 0.27 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.79 1own h PHE 358 Cb -0.06 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 1own h PHE 358 CO -0.03 -0.20 0.34 1.25 -2.23 0.00 0.00 178.31 177.44 1own h LEU 359 N -0.37 0.55 0.01 0.59 5.85 -0.77 0.44 115.31 121.61 1own h LEU 359 Ca -0.04 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1own h LEU 359 Cb 0.28 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1own h LEU 359 CO 0.06 0.39 -0.10 0.74 -0.34 0.00 0.00 178.44 179.19 1own h THR 360 N 0.67 1.69 0.05 1.05 2.02 -1.07 -2.56 112.91 114.77 1own h THR 360 Ca 0.23 -2.15 -0.07 0.00 0.77 0.00 0.00 66.41 65.18 1own h THR 360 Cb 0.03 3.14 0.01 0.00 -1.74 0.00 0.00 68.15 69.58 1own h THR 360 CO -0.10 0.57 -0.32 0.11 0.37 0.00 0.00 175.52 176.14 1own h LYS 361 N -0.82 0.10 0.09 6.66 1.79 -0.31 -3.02 116.57 121.07 1own h LYS 361 Ca -0.01 -0.18 -0.00 0.00 -2.18 0.00 0.00 60.65 58.28 1own h LYS 361 Cb 0.98 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1own h LYS 361 CO 0.02 1.08 -0.04 -0.44 -1.08 0.00 0.00 179.45 178.99 1own h ASP 362 N -0.78 -0.10 1.29 0.86 5.19 -1.02 -3.36 116.42 118.51 1own h ASP 362 Ca -0.06 -0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 1own h ASP 362 Cb 1.23 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.77 1own h ASP 362 CO 0.05 0.49 0.00 -0.07 -3.12 0.00 0.00 179.24 176.59 1own h LEU 363 N -1.00 0.00 -1.99 1.55 3.38 -1.20 -3.46 115.31 112.59 1own h LEU 363 Ca -0.01 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.54 1own h LEU 363 Cb 0.33 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.13 1own h LEU 363 CO 0.02 0.00 -0.85 -0.38 0.09 0.00 0.00 178.44 177.32 1own n ILE 364 N -2.31 -4.69 -4.72 1.22 -0.00 -0.99 -4.67 119.36 103.19 1own n ILE 364 Ca 0.04 -0.60 -0.33 0.00 -0.00 0.00 0.00 62.75 61.87 1own n ILE 364 Cb 0.38 -3.84 -0.13 0.00 -0.00 0.00 0.00 39.64 36.05 1own n ILE 364 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1own s ILE 365 N -3.67 3.28 -0.48 1.39 1.01 -1.04 -2.30 121.20 119.38 1own s ILE 365 Ca 0.08 -0.60 -0.45 0.00 0.00 0.00 0.00 60.65 59.68 1own s ILE 365 Cb -0.02 -2.36 -0.19 0.00 0.01 0.00 0.00 42.46 39.89 1own s ILE 365 CO 0.82 0.55 1.85 -0.67 0.00 0.00 0.00 174.94 177.49 1own n ASP 366 N 3.05 1.11 0.04 3.58 -0.08 -1.26 -4.49 116.55 118.50 1own n ASP 366 Ca -0.18 0.95 0.02 0.00 -1.51 0.00 0.00 54.79 54.08 1own n ASP 366 Cb 0.53 -0.91 0.13 0.00 2.34 0.00 0.00 41.12 43.20 1own n ASP 366 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 1own n TRP 367 N 5.71 0.16 0.20 -0.67 4.27 -1.26 -1.65 117.44 124.21 1own n TRP 367 Ca 0.41 0.09 0.05 0.00 -3.89 0.00 0.00 57.50 54.16 1own n TRP 367 Cb -0.03 -0.58 0.50 0.00 -1.36 0.00 0.00 31.31 29.83 1own n TRP 367 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1own h ARG 368 N 0.00 0.05 -0.39 -2.67 3.08 -1.96 -0.39 114.38 112.11 1own h ARG 368 Ca 0.00 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1own h ARG 368 Cb 0.12 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1own h ARG 368 CO 0.00 0.20 -0.02 0.00 -1.07 0.00 0.00 179.97 179.07 1own h ARG 369 N 0.05 0.63 -0.04 0.04 2.47 -1.65 -0.56 114.38 115.32 1own h ARG 369 Ca 0.01 -0.16 -0.19 0.00 -1.26 0.00 0.00 59.98 58.38 1own h ARG 369 Cb 0.29 -0.08 0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1own h ARG 369 CO 0.02 0.67 -0.72 0.78 0.56 0.00 0.00 179.97 181.28 1own h GLY 370 N 0.92 0.62 0.68 0.04 0.00 -1.42 -1.19 103.07 102.73 1own h GLY 370 Ca 0.12 -1.01 0.05 0.00 0.00 0.00 0.00 47.33 46.49 1own h GLY 370 CO 0.02 0.90 0.30 -2.09 0.00 0.00 0.00 176.54 175.67 1own h GLU 371 N 0.16 0.55 -0.40 4.80 4.81 -0.90 0.62 114.58 124.22 1own h GLU 371 Ca -0.08 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1own h GLU 371 Cb 1.39 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 1own h GLU 371 CO 0.14 0.37 0.10 0.37 -0.73 0.00 0.00 179.01 179.26 1own h GLN 372 N 0.57 0.65 -0.60 1.92 4.15 -1.10 -1.46 115.11 119.25 1own h GLN 372 Ca 0.26 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 1own h GLN 372 Cb 0.17 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 1own h GLN 372 CO -0.18 0.67 0.19 0.35 -1.93 0.00 0.00 178.83 177.94 1own h PHE 373 N 0.51 0.91 -0.37 3.99 3.57 -0.48 -0.83 116.94 124.24 1own h PHE 373 Ca 0.13 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 1own h PHE 373 Cb 0.31 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1own h PHE 373 CO 0.02 0.73 0.05 0.74 -2.23 0.00 0.00 178.31 177.62 1own h PHE 374 N 0.87 0.66 -0.12 0.41 -1.00 -0.68 -2.49 116.94 114.59 1own h PHE 374 Ca 0.20 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.86 1own h PHE 374 Cb 0.24 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 1own h PHE 374 CO 0.02 0.67 -0.02 0.52 -1.61 0.00 0.00 178.31 177.89 1own h MET 375 N 0.45 0.17 0.00 1.51 2.86 -0.85 0.48 114.93 119.54 1own h MET 375 Ca 0.11 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1own h MET 375 Cb 0.37 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1own h MET 375 CO 0.01 0.21 0.00 1.04 1.06 0.00 0.00 176.91 179.22 1own n GLN 376 N -4.41 0.35 0.00 1.72 6.02 -0.35 -3.37 117.38 117.33 1own n GLN 376 Ca -0.01 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1own n GLN 376 Cb 0.16 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.92 1own n GLN 376 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1own n HIS 377 N -1.30 0.00 -2.61 1.08 8.25 -0.47 -4.19 115.22 115.97 1own n HIS 377 Ca 0.12 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.16 1own n HIS 377 Cb 0.22 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 1own n HIS 377 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1own s LEU 378 N -0.85 4.28 0.56 2.41 1.43 0.15 -4.35 118.68 122.32 1own s LEU 378 Ca 0.00 1.66 0.35 0.00 -1.03 0.00 0.00 54.13 55.11 1own s LEU 378 Cb 0.00 -3.56 1.49 0.00 0.03 0.00 0.00 46.19 44.15 1own s LEU 378 CO 0.00 -0.45 2.03 1.62 0.23 0.00 0.00 176.35 179.78 1own h VAL 379 N 4.98 0.00 -0.35 -1.59 3.04 -1.22 -1.94 116.25 119.17 1own h VAL 379 Ca -0.34 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 64.90 1own h VAL 379 Cb 1.17 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.90 1own h VAL 379 CO 0.84 0.00 0.00 -0.90 -1.01 0.00 0.00 177.57 176.50 1own n ASP 380 N -3.09 3.17 -4.14 3.17 5.68 -1.26 -4.59 116.55 115.49 1own n ASP 380 Ca 0.00 -2.20 -0.59 0.00 -0.50 0.00 0.00 54.79 51.51 1own n ASP 380 Cb 0.28 -0.30 -0.11 0.00 -1.14 0.00 0.00 41.12 39.84 1own n ASP 380 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1own n GLY 381 N 0.37 -0.08 2.80 6.12 0.00 -0.73 -4.88 105.19 108.78 1own n GLY 381 Ca 0.14 1.05 -0.23 0.00 0.00 0.00 0.00 46.02 46.98 1own n GLY 381 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1own s ASP 382 N 5.20 1.61 0.15 1.61 2.15 -1.26 -5.05 116.67 121.08 1own s ASP 382 Ca 1.12 -0.12 -0.27 0.00 0.43 0.00 0.00 52.55 53.71 1own s ASP 382 Cb -1.43 -0.50 -0.01 0.00 -0.30 0.00 0.00 42.92 40.68 1own s ASP 382 CO 0.66 -0.17 1.57 0.25 -0.17 0.00 0.00 175.17 177.31 1own h LEU 383 N 8.20 -1.42 -0.26 -1.34 5.85 -1.97 0.99 115.31 125.35 1own h LEU 383 Ca -0.23 0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1own h LEU 383 Cb 1.13 0.62 -0.04 0.00 0.37 0.00 0.00 40.66 42.73 1own h LEU 383 CO 0.30 -0.37 -0.02 0.00 -0.34 0.00 0.00 178.44 178.01 1own h ALA 384 N 0.40 0.22 -0.08 1.25 0.00 -1.97 0.27 119.26 119.35 1own h ALA 384 Ca 0.13 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 1own h ALA 384 Cb 0.59 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1own h ALA 384 CO -0.56 -0.43 -0.62 0.00 0.00 0.00 0.00 179.25 177.64 1own h ALA 385 N 1.24 0.18 -0.30 0.00 0.00 -1.79 -1.74 119.26 116.85 1own h ALA 385 Ca 0.13 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1own h ALA 385 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1own h ALA 385 CO -0.23 0.45 0.02 -0.97 0.00 0.00 0.00 179.25 178.52 1own h ASN 386 N 0.17 0.50 -0.53 0.00 -1.24 0.11 0.75 115.58 115.34 1own h ASN 386 Ca -0.05 -0.29 -0.08 0.00 0.71 0.00 0.00 56.30 56.58 1own h ASN 386 Cb 1.27 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 40.17 1own h ASN 386 CO 0.13 0.67 0.02 -1.13 -1.29 0.00 0.00 177.43 175.82 1own h ASN 387 N 0.32 0.93 -0.52 1.15 -0.73 -0.55 -1.18 115.58 115.00 1own h ASN 387 Ca 0.09 -0.24 -0.01 0.00 1.87 0.00 0.00 56.30 58.00 1own h ASN 387 Cb 0.40 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.71 1own h ASN 387 CO 0.01 0.98 0.28 1.23 -0.37 0.00 0.00 177.43 179.56 1own h GLY 388 N 1.00 0.78 1.01 1.57 0.00 -1.04 0.13 103.07 106.52 1own h GLY 388 Ca 0.17 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 1own h GLY 388 CO 0.02 0.34 0.32 -1.33 0.00 0.00 0.00 176.54 175.90 1own h GLY 389 N 0.70 1.08 2.00 4.60 0.00 -0.42 -1.11 103.07 109.91 1own h GLY 389 Ca 0.18 -0.55 -0.18 0.00 0.00 0.00 0.00 47.33 46.78 1own h GLY 389 CO -0.03 0.52 -0.88 1.49 0.00 0.00 0.00 176.54 177.64 1own h TRP 390 N 0.97 0.00 -0.08 5.60 4.06 -0.97 -2.64 115.95 122.89 1own h TRP 390 Ca 0.24 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 61.08 1own h TRP 390 Cb 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 1own h TRP 390 CO 0.01 0.88 -0.46 1.96 -3.56 0.00 0.00 178.44 177.27 1own h GLN 391 N 0.00 0.19 -0.44 0.49 1.08 -0.66 -2.74 115.11 113.03 1own h GLN 391 Ca -0.01 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.04 1own h GLN 391 Cb 1.56 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.97 1own h GLN 391 CO 0.11 0.62 0.08 2.35 -0.95 0.00 0.00 178.83 181.04 1own h TRP 392 N 0.16 0.70 0.00 2.96 7.01 -0.97 0.58 115.95 126.39 1own h TRP 392 Ca 0.01 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 60.95 1own h TRP 392 Cb 0.87 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.73 1own h TRP 392 CO 0.01 0.62 0.00 -1.13 -2.79 0.00 0.00 178.44 175.15 1own n SER 393 N -4.29 0.00 0.00 2.65 3.41 -1.02 -2.32 113.62 112.06 1own n SER 393 Ca 0.03 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1own n SER 393 Cb 0.23 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1own n SER 393 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1own n ALA 394 N -1.12 0.44 -3.47 7.33 0.00 -0.96 -4.70 120.51 118.03 1own n ALA 394 Ca 0.05 -0.17 -0.25 0.00 0.00 0.00 0.00 53.44 53.07 1own n ALA 394 Cb 0.04 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.50 1own n ALA 394 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1own n SER 395 N 0.00 -4.22 -0.61 0.00 7.64 0.06 -4.84 113.62 111.66 1own n SER 395 Ca 0.00 -0.48 0.13 0.00 1.01 0.00 0.00 58.87 59.53 1own n SER 395 Cb 0.36 -3.45 0.39 0.00 -1.01 0.00 0.00 64.21 60.51 1own n SER 395 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1own n SER 396 N -2.44 1.92 0.00 6.43 3.41 -0.42 -4.69 113.62 117.82 1own n SER 396 Ca -0.01 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 1own n SER 396 Cb 0.55 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1own n SER 396 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1own n GLY 397 N 1.23 2.85 3.77 5.00 0.00 -1.25 0.16 105.19 116.95 1own n GLY 397 Ca 0.17 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1own n GLY 397 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1own s MET 398 N 3.37 2.18 -1.26 1.61 -1.94 -1.26 -4.18 119.30 117.82 1own s MET 398 Ca 0.00 0.99 -0.20 0.00 -1.71 0.00 0.00 55.69 54.77 1own s MET 398 Cb 0.00 -1.90 0.03 0.00 2.01 0.00 0.00 34.83 34.97 1own s MET 398 CO 0.00 -1.64 0.38 -3.47 -0.01 0.00 0.00 175.02 170.28 1own n ASP 399 N -3.50 -1.94 -4.76 3.03 2.03 0.11 -4.87 116.55 106.65 1own n ASP 399 Ca 0.08 -1.22 -0.38 0.00 0.52 0.00 0.00 54.79 53.79 1own n ASP 399 Cb 0.54 -1.48 0.01 0.00 -0.72 0.00 0.00 41.12 39.47 1own n ASP 399 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1own s PRO 400 N -7.26 3.64 0.22 -0.67 0.04 -1.26 -4.97 135.00 124.74 1own s PRO 400 Ca 0.28 2.09 0.06 0.00 0.04 0.00 0.00 61.00 63.48 1own s PRO 400 Cb -0.16 -2.50 -0.05 0.00 0.04 0.00 0.00 34.50 31.83 1own s PRO 400 CO 0.92 -0.74 -0.10 0.15 0.04 0.00 0.00 177.00 177.27 1own s LYS 401 N -2.58 1.35 0.57 4.56 -0.14 -1.26 -5.11 119.74 117.12 1own s LYS 401 Ca 0.63 -1.63 -0.20 0.00 -1.36 0.00 0.00 55.97 53.41 1own s LYS 401 Cb -0.37 -0.99 -0.06 0.00 -1.68 0.00 0.00 37.83 34.74 1own s LYS 401 CO 0.45 0.09 1.03 -2.30 -0.76 0.00 0.00 175.35 173.86 1own n PRO 402 N -0.41 1.08 -1.56 -1.68 -0.02 -1.26 -4.84 135.00 126.32 1own n PRO 402 Ca -0.07 0.41 -0.50 0.00 -2.02 0.00 0.00 63.50 61.32 1own n PRO 402 Cb 0.62 -2.21 -0.05 0.00 -0.02 0.00 0.00 33.50 31.84 1own n PRO 402 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1own n LEU 403 N -0.63 1.13 -3.61 2.45 7.94 -1.26 -4.97 117.00 118.06 1own n LEU 403 Ca 0.13 1.14 -0.15 0.00 -1.11 0.00 0.00 56.01 56.01 1own n LEU 403 Cb 0.46 -1.16 -0.07 0.00 0.53 0.00 0.00 43.42 43.18 1own n LEU 403 CO 0.51 -1.49 0.36 -0.60 -1.11 0.00 0.00 177.39 175.06 1own s ARG 404 N -0.33 0.88 -0.11 1.96 3.52 -1.26 -5.15 118.95 118.46 1own s ARG 404 Ca 0.75 0.57 -0.00 0.00 -0.13 0.00 0.00 55.73 56.92 1own s ARG 404 Cb -0.91 0.42 0.02 0.00 -1.56 0.00 0.00 34.95 32.92 1own s ARG 404 CO 0.53 -0.19 -0.08 0.42 -0.81 0.00 0.00 175.30 175.17 1own s ILE 405 N -0.40 1.01 0.35 4.11 1.09 -1.26 -5.01 121.20 121.09 1own s ILE 405 Ca -0.05 -0.28 -0.28 0.00 -1.10 0.00 0.00 60.65 58.93 1own s ILE 405 Cb -0.03 -1.03 -0.10 0.00 -1.06 0.00 0.00 42.46 40.24 1own s ILE 405 CO 0.05 0.36 1.35 -0.36 -0.10 0.00 0.00 174.94 176.24 1own s PHE 406 N 1.66 2.92 -0.41 3.97 0.40 -1.26 -4.99 117.98 120.27 1own s PHE 406 Ca 0.04 1.36 -0.12 0.00 -0.60 0.00 0.00 56.93 57.61 1own s PHE 406 Cb -0.13 -3.76 0.05 0.00 0.51 0.00 0.00 43.02 39.69 1own s PHE 406 CO -0.08 -2.14 0.28 1.21 0.70 0.00 0.00 175.22 175.19 1own s ASN 407 N -0.44 5.86 0.32 1.36 3.84 -1.26 -4.91 114.94 119.72 1own s ASN 407 Ca 0.51 -1.18 0.06 0.00 0.21 0.00 0.00 52.86 52.45 1own s ASN 407 Cb -0.41 -2.07 0.87 0.00 -0.55 0.00 0.00 41.25 39.09 1own s ASN 407 CO 0.55 -0.49 1.60 -0.65 -2.79 0.00 0.00 177.10 175.31 1own h PRO 408 N 8.53 0.06 -0.41 0.43 0.11 -1.96 0.17 132.00 138.94 1own h PRO 408 Ca -0.26 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 1own h PRO 408 Cb 1.10 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1own h PRO 408 CO 0.75 0.04 0.13 0.00 -0.21 0.00 0.00 178.00 178.71 1own h ALA 409 N 1.93 0.53 -0.52 -0.75 0.00 -1.89 -0.23 119.26 118.33 1own h ALA 409 Ca 0.64 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 1own h ALA 409 Cb 1.41 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1own h ALA 409 CO -0.81 0.17 0.23 0.77 0.00 0.00 0.00 179.25 179.61 1own h SER 410 N 0.51 0.70 -0.06 0.00 0.02 -1.29 -0.34 113.55 113.09 1own h SER 410 Ca 0.13 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1own h SER 410 Cb 0.25 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1own h SER 410 CO -0.01 0.65 0.02 1.56 -1.14 0.00 0.00 176.83 177.92 1own h GLN 411 N 0.69 0.09 -0.15 3.45 1.08 -1.21 0.21 115.11 119.28 1own h GLN 411 Ca 0.17 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.39 1own h GLN 411 Cb 0.16 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.54 1own h GLN 411 CO -0.02 0.25 -0.08 0.00 -0.95 0.00 0.00 178.83 178.03 1own h ALA 412 N 0.83 0.05 -0.73 3.87 0.00 -0.88 0.38 119.26 122.78 1own h ALA 412 Ca 0.02 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1own h ALA 412 Cb 0.20 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1own h ALA 412 CO -0.00 -0.52 0.32 -0.22 0.00 0.00 0.00 179.25 178.83 1own h LYS 413 N -0.07 1.05 -0.13 0.00 3.64 -1.00 0.38 116.57 120.44 1own h LYS 413 Ca 0.09 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 1own h LYS 413 Cb 0.19 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1own h LYS 413 CO -0.19 0.83 -0.29 -0.22 -2.27 0.00 0.00 179.45 177.30 1own h LYS 414 N 1.04 0.43 -0.02 1.90 3.64 -0.34 -3.06 116.57 120.15 1own h LYS 414 Ca 0.25 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1own h LYS 414 Cb 0.15 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1own h LYS 414 CO -0.03 0.89 -0.10 1.19 -2.27 0.00 0.00 179.45 179.14 1own n PHE 415 N -4.41 0.00 -2.70 1.91 3.72 0.13 -4.53 117.46 111.58 1own n PHE 415 Ca -0.07 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.27 1own n PHE 415 Cb 0.47 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.09 1own n PHE 415 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1own n ASP 416 N 0.63 -0.10 -0.41 4.37 2.03 0.13 -4.22 116.55 118.98 1own n ASP 416 Ca 0.09 -2.47 0.34 0.00 0.52 0.00 0.00 54.79 53.26 1own n ASP 416 Cb 0.40 0.18 0.61 0.00 -0.72 0.00 0.00 41.12 41.59 1own n ASP 416 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1own h ALA 417 N 2.35 2.54 -0.39 -1.67 0.00 -1.44 0.58 119.26 121.24 1own h ALA 417 Ca -0.21 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1own h ALA 417 Cb 1.25 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1own h ALA 417 CO 0.17 -1.17 0.00 0.25 0.00 0.00 0.00 179.25 178.50 1own n THR 418 N -4.80 0.50 -1.61 0.00 -2.24 -1.26 -4.90 114.28 99.97 1own n THR 418 Ca 0.36 -0.67 -0.19 0.00 -2.27 0.00 0.00 64.05 61.28 1own n THR 418 Cb 1.32 0.72 -0.07 0.00 -2.10 0.00 0.00 70.33 70.19 1own n THR 418 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1own n ALA 419 N 1.18 -0.32 -0.16 6.98 0.00 0.20 -4.79 120.51 123.61 1own n ALA 419 Ca 0.19 0.29 -0.07 0.00 0.00 0.00 0.00 53.44 53.85 1own n ALA 419 Cb 0.52 -1.88 0.02 0.00 0.00 0.00 0.00 19.45 18.11 1own n ALA 419 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1own h THR 420 N 0.00 1.08 -0.64 0.00 2.02 -1.92 -0.96 112.91 112.49 1own h THR 420 Ca -0.39 -0.21 -0.09 0.00 0.77 0.00 0.00 66.41 66.50 1own h THR 420 Cb 1.23 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1own h THR 420 CO 0.56 0.11 0.04 0.22 0.37 0.00 0.00 175.52 176.82 1own h TYR 421 N 0.60 1.19 0.40 3.16 3.20 -1.89 -1.32 116.97 122.30 1own h TYR 421 Ca 0.19 -0.19 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1own h TYR 421 Cb -0.02 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 37.94 1own h TYR 421 CO -0.06 1.02 -0.22 0.82 -1.64 0.00 0.00 178.16 178.08 1own h ILE 422 N 1.01 0.55 -0.93 1.81 5.03 -1.80 -2.68 117.51 120.49 1own h ILE 422 Ca 0.19 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.98 1own h ILE 422 Cb 0.52 0.55 -0.06 0.00 -3.03 0.00 0.00 36.82 34.80 1own h ILE 422 CO 0.02 0.00 0.61 0.11 -0.68 0.00 0.00 178.15 178.21 1own h LYS 423 N -0.58 1.07 -0.40 2.37 1.57 -1.13 0.42 116.57 119.89 1own h LYS 423 Ca -0.05 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1own h LYS 423 Cb 0.46 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 1own h LYS 423 CO 0.07 0.71 0.18 -0.09 -0.57 0.00 0.00 179.45 179.75 1own h ARG 424 N 1.10 0.37 -0.01 3.15 2.43 -0.95 -2.70 114.38 117.76 1own h ARG 424 Ca 0.39 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1own h ARG 424 Cb 0.13 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1own h ARG 424 CO -0.14 0.24 -0.41 0.91 -1.51 0.00 0.00 179.97 179.06 1own n TRP 425 N -4.95 0.00 -3.19 2.20 7.02 -1.04 -4.35 117.44 113.15 1own n TRP 425 Ca 0.02 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.26 1own n TRP 425 Cb 0.12 -0.06 -0.05 0.00 -2.42 0.00 0.00 31.31 28.89 1own n TRP 425 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1own n LEU 426 N -0.39 2.28 0.23 -0.99 4.77 0.11 -4.81 117.00 118.20 1own n LEU 426 Ca 0.10 -5.20 0.15 0.00 -0.03 0.00 0.00 56.01 51.03 1own n LEU 426 Cb 0.41 0.05 0.81 0.00 -2.33 0.00 0.00 43.42 42.36 1own n LEU 426 CO 0.28 2.19 1.13 1.55 -1.33 0.00 0.00 177.39 181.21 1own h PRO 427 N 3.54 0.00 0.00 3.23 0.13 -1.68 -1.16 132.00 136.05 1own h PRO 427 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1own h PRO 427 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1own h PRO 427 CO 0.65 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.57 1own n GLU 428 N -4.03 0.64 -0.22 0.86 0.00 -1.26 -1.91 120.64 114.72 1own n GLU 428 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.22 1own n GLU 428 Cb 0.21 -1.33 0.09 0.00 0.00 0.00 0.00 31.44 30.41 1own n GLU 428 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1own n LEU 429 N -0.83 1.53 0.23 -1.84 4.32 -0.44 -4.77 117.00 115.21 1own n LEU 429 Ca 0.10 -2.36 0.10 0.00 -0.02 0.00 0.00 56.01 53.83 1own n LEU 429 Cb 0.05 -0.28 0.57 0.00 -1.62 0.00 0.00 43.42 42.14 1own n LEU 429 CO 0.08 0.55 0.87 -0.09 -1.22 0.00 0.00 177.39 177.57 1own h ARG 430 N 0.00 0.00 0.00 3.23 1.12 -1.46 -2.65 114.38 114.62 1own h ARG 430 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.80 1own h ARG 430 Cb 1.14 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.09 1own h ARG 430 CO 0.00 0.21 -0.34 1.12 -3.11 0.00 0.00 179.97 177.84 1own h HIS 431 N 0.00 0.00 -4.18 2.20 2.07 -1.86 -3.46 115.15 109.92 1own h HIS 431 Ca -0.00 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 57.01 1own h HIS 431 Cb 0.52 0.00 0.10 0.00 2.57 0.00 0.00 27.41 30.60 1own h HIS 431 CO 0.00 0.34 0.38 0.08 -3.07 0.00 0.00 177.93 175.67 1own s VAL 432 N -3.34 3.16 0.06 6.12 1.01 -1.00 -5.00 120.40 121.42 1own s VAL 432 Ca 0.02 0.56 -0.27 0.00 0.00 0.00 0.00 61.98 62.29 1own s VAL 432 Cb 0.09 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 1own s VAL 432 CO 0.69 -0.31 0.86 -1.00 0.00 0.00 0.00 175.10 175.34 1own s HIS 433 N -2.25 3.75 0.33 5.22 0.09 -1.26 -4.94 115.29 116.24 1own s HIS 433 Ca 0.68 1.62 0.13 0.00 -0.00 0.00 0.00 55.06 57.49 1own s HIS 433 Cb -0.22 -2.94 1.04 0.00 -0.00 0.00 0.00 32.58 30.46 1own s HIS 433 CO 0.40 0.21 1.66 -1.35 -0.00 0.00 0.00 174.74 175.67 1own h PRO 434 N 5.77 0.31 -0.67 8.40 0.11 -1.95 0.14 132.00 144.12 1own h PRO 434 Ca -0.43 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 65.80 1own h PRO 434 Cb 1.21 -0.07 -0.12 0.00 0.11 0.00 0.00 31.00 32.13 1own h PRO 434 CO 0.72 0.21 -0.04 -0.22 -0.21 0.00 0.00 178.00 178.45 1own h LYS 435 N 0.32 0.08 0.06 1.05 1.63 -1.92 0.19 116.57 117.97 1own h LYS 435 Ca 0.71 -0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 60.27 1own h LYS 435 Cb 1.59 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 33.20 1own h LYS 435 CO -0.61 0.05 -1.07 -0.44 -3.45 0.00 0.00 179.45 173.94 1own h ASP 436 N 0.08 0.31 0.32 4.20 3.32 -1.04 -2.77 116.42 120.83 1own h ASP 436 Ca 0.35 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1own h ASP 436 Cb 0.57 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1own h ASP 436 CO -0.61 1.18 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.77 1own h LEU 437 N 0.09 0.00 0.22 1.55 3.38 -0.78 0.47 115.31 120.24 1own h LEU 437 Ca -0.08 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.58 1own h LEU 437 Cb 1.76 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.55 1own h LEU 437 CO 0.17 0.25 -1.35 0.40 0.09 0.00 0.00 178.44 178.00 1own h ILE 438 N 0.00 1.31 0.00 1.22 5.03 -1.01 -3.27 117.51 120.79 1own h ILE 438 Ca -0.00 -2.63 -0.05 0.00 -0.12 0.00 0.00 64.86 62.06 1own h ILE 438 Cb 0.48 3.00 -0.01 0.00 -3.03 0.00 0.00 36.82 37.26 1own h ILE 438 CO 0.03 0.78 -0.25 0.77 -0.68 0.00 0.00 178.15 178.81 1own h SER 439 N 0.10 0.00 0.00 1.72 4.64 -1.20 -3.37 113.55 115.45 1own h SER 439 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1own h SER 439 Cb 2.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.14 1own h SER 439 CO 0.25 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 177.07 1own n GLY 440 N 0.84 0.56 3.29 -0.77 0.00 0.16 -4.85 105.19 104.42 1own n GLY 440 Ca 0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.59 1own n GLY 440 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1own s GLU 441 N -0.21 2.96 -0.09 1.61 2.02 -1.12 -4.80 118.70 119.07 1own s GLU 441 Ca 0.00 -1.85 0.04 0.00 0.02 0.00 0.00 54.97 53.17 1own s GLU 441 Cb 0.00 -4.23 -0.01 0.00 0.10 0.00 0.00 34.13 29.99 1own s GLU 441 CO 0.00 -1.29 -0.20 0.42 0.02 0.00 0.00 175.26 174.20 1own s ILE 442 N 1.30 2.42 0.20 -1.63 1.09 -1.26 -4.75 121.20 118.56 1own s ILE 442 Ca 0.06 -0.91 -0.31 0.00 -1.10 0.00 0.00 60.65 58.40 1own s ILE 442 Cb -0.26 -1.94 -0.10 0.00 -1.06 0.00 0.00 42.46 39.10 1own s ILE 442 CO 0.00 0.56 1.45 0.42 -0.10 0.00 0.00 174.94 177.27 1own s THR 443 N 0.08 2.82 0.17 2.92 -4.23 -1.26 -4.80 115.64 111.33 1own s THR 443 Ca -0.09 0.64 -0.25 0.00 -1.18 0.00 0.00 61.69 60.80 1own s THR 443 Cb -0.15 -3.41 0.01 0.00 1.34 0.00 0.00 72.50 70.29 1own s THR 443 CO 0.06 0.08 1.44 -2.65 -0.54 0.00 0.00 174.62 173.01 1own n PRO 444 N 3.02 -0.36 -0.09 3.99 -0.02 -1.26 -0.03 135.00 140.25 1own n PRO 444 Ca 0.09 1.42 -0.06 0.00 -2.02 0.00 0.00 63.50 62.93 1own n PRO 444 Cb 0.40 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1own n PRO 444 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1own h ILE 445 N 0.00 0.72 0.00 4.25 6.09 -1.91 0.64 117.51 127.30 1own h ILE 445 Ca 0.20 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.67 1own h ILE 445 Cb 0.43 0.67 0.00 0.00 0.47 0.00 0.00 36.82 38.40 1own h ILE 445 CO -0.89 0.01 0.00 1.21 -3.07 0.00 0.00 178.15 175.41 1own n GLU 446 N -5.22 0.18 0.17 2.19 2.13 -0.49 -2.14 120.64 117.47 1own n GLU 446 Ca 0.00 0.35 0.12 0.00 0.66 0.00 0.00 57.16 58.30 1own n GLU 446 Cb 0.17 -1.81 0.20 0.00 0.27 0.00 0.00 31.44 30.27 1own n GLU 446 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1own h ARG 447 N 0.00 0.00 0.00 5.31 2.43 0.19 -3.46 114.38 118.85 1own h ARG 447 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1own h ARG 447 Cb 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1own h ARG 447 CO 0.00 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 179.00 1own n ARG 448 N -2.79 0.00 0.00 0.20 3.00 -0.83 -0.77 116.66 115.48 1own n ARG 448 Ca 0.04 0.00 0.13 0.00 -0.01 0.00 0.00 57.85 58.00 1own n ARG 448 Cb 0.50 0.00 0.35 0.00 0.00 0.00 0.00 32.46 33.32 1own n ARG 448 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1own n GLY 449 N 0.00 -0.76 3.70 -0.13 0.00 -1.26 -4.91 105.19 101.83 1own n GLY 449 Ca 0.00 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 1own n GLY 449 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1own s TYR 450 N -2.61 2.58 0.83 1.61 5.04 0.05 -4.95 117.35 119.90 1own s TYR 450 Ca 0.21 0.31 -0.12 0.00 -2.44 0.00 0.00 57.07 55.03 1own s TYR 450 Cb 0.19 -4.04 0.10 0.00 0.35 0.00 0.00 41.96 38.56 1own s TYR 450 CO 0.56 -4.10 1.16 -1.25 -1.34 0.00 0.00 175.55 170.58 1own s PRO 451 N 2.08 1.57 0.55 4.97 0.04 -1.26 -4.93 135.00 138.02 1own s PRO 451 Ca 0.75 1.55 -0.07 0.00 0.04 0.00 0.00 61.00 63.27 1own s PRO 451 Cb -0.44 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 1own s PRO 451 CO 0.33 -2.22 0.88 0.00 0.04 0.00 0.00 177.00 176.03 1own s ALA 452 N -2.49 3.28 0.14 8.56 0.00 -1.26 -4.40 121.76 125.59 1own s ALA 452 Ca 0.68 -0.43 -0.34 0.00 0.00 0.00 0.00 51.96 51.87 1own s ALA 452 Cb -0.24 -2.74 -0.16 0.00 0.00 0.00 0.00 23.12 19.99 1own s ALA 452 CO 0.54 -0.56 1.34 -2.30 0.00 0.00 0.00 175.76 174.77 1own n PRO 453 N -2.48 1.44 0.07 0.00 -0.02 -1.26 -4.20 135.00 128.54 1own n PRO 453 Ca 0.03 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 1own n PRO 453 Cb 0.55 -2.14 0.47 0.00 -0.02 0.00 0.00 33.50 32.37 1own n PRO 453 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1own n ILE 454 N 2.31 0.48 -3.83 4.25 -0.00 0.11 -4.83 119.36 117.85 1own n ILE 454 Ca 0.16 -0.09 -0.10 0.00 -0.00 0.00 0.00 62.75 62.73 1own n ILE 454 Cb 0.24 -0.67 -0.08 0.00 -0.00 0.00 0.00 39.64 39.13 1own n ILE 454 CO 0.00 0.00 0.00 0.68 -0.00 0.00 0.00 176.55 177.23 1own s VAL 455 N -3.09 0.12 -0.43 7.28 -7.23 -1.26 -5.11 120.40 110.68 1own s VAL 455 Ca 0.11 -0.98 -0.19 0.00 -1.81 0.00 0.00 61.98 59.11 1own s VAL 455 Cb 0.14 -1.12 0.03 0.00 0.56 0.00 0.00 36.38 35.98 1own s VAL 455 CO 0.52 -0.54 0.52 0.21 -0.31 0.00 0.00 175.10 175.50 1own s ASN 456 N -2.47 6.24 0.23 4.85 3.84 -1.26 -4.97 114.94 121.40 1own s ASN 456 Ca -0.00 -0.59 -0.10 0.00 0.21 0.00 0.00 52.86 52.38 1own s ASN 456 Cb 0.02 -2.26 0.35 0.00 -0.55 0.00 0.00 41.25 38.81 1own s ASN 456 CO -0.07 -0.67 1.63 -0.74 -2.79 0.00 0.00 177.10 174.45 1own h HIS 457 N 8.80 -0.21 -1.00 0.43 -0.00 -1.99 -0.66 115.15 120.53 1own h HIS 457 Ca -0.26 0.06 0.01 0.00 -0.00 0.00 0.00 60.37 60.18 1own h HIS 457 Cb 1.10 0.20 -0.05 0.00 -0.00 0.00 0.00 27.41 28.67 1own h HIS 457 CO 0.66 -0.27 0.66 -0.97 -0.00 0.00 0.00 177.93 178.02 1own h ASN 458 N 0.05 1.14 -0.30 3.26 -1.24 -1.99 0.22 115.58 116.71 1own h ASN 458 Ca 0.37 -0.03 -0.17 0.00 0.71 0.00 0.00 56.30 57.18 1own h ASN 458 Cb 0.61 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.37 1own h ASN 458 CO -0.68 0.82 -0.45 -0.07 -1.29 0.00 0.00 177.43 175.75 1own h LEU 459 N 1.34 0.95 -0.54 0.34 3.38 -1.64 -2.55 115.31 116.59 1own h LEU 459 Ca 0.37 -0.46 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 1own h LEU 459 Cb -0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.33 1own h LEU 459 CO -0.09 1.25 -0.03 0.03 0.09 0.00 0.00 178.44 179.70 1own h ARG 460 N 0.70 0.98 -0.53 1.13 2.47 -0.61 -1.35 114.38 117.17 1own h ARG 460 Ca 0.04 -0.33 0.03 0.00 -1.26 0.00 0.00 59.98 58.46 1own h ARG 460 Cb 1.05 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 29.25 1own h ARG 460 CO 0.10 1.00 0.31 0.37 0.56 0.00 0.00 179.97 182.31 1own h GLN 461 N 0.86 0.59 -0.40 0.04 4.15 -0.53 -0.05 115.11 119.77 1own h GLN 461 Ca 0.15 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.46 1own h GLN 461 Cb 0.58 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 1own h GLN 461 CO 0.03 0.39 -0.04 0.87 -1.93 0.00 0.00 178.83 178.15 1own h LYS 462 N 0.61 0.74 -0.28 1.69 1.57 -1.32 -2.03 116.57 117.54 1own h LYS 462 Ca 0.22 -0.26 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1own h LYS 462 Cb 0.05 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1own h LYS 462 CO -0.11 0.85 0.11 0.37 -0.57 0.00 0.00 179.45 180.10 1own h GLN 463 N 0.56 0.24 -0.04 3.15 4.15 -0.78 0.81 115.11 123.19 1own h GLN 463 Ca 0.11 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 1own h GLN 463 Cb 0.54 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 1own h GLN 463 CO 0.03 0.16 0.02 0.35 -1.93 0.00 0.00 178.83 177.46 1own h PHE 464 N 0.25 0.06 -0.78 3.99 3.04 -0.94 -1.34 116.94 121.22 1own h PHE 464 Ca 0.12 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.12 1own h PHE 464 Cb 0.08 -0.02 -0.06 0.00 2.56 0.00 0.00 35.95 38.51 1own h PHE 464 CO -0.12 0.14 0.48 0.87 -2.02 0.00 0.00 178.31 177.66 1own h LYS 465 N -0.03 0.87 0.18 1.11 1.57 -1.17 0.14 116.57 119.23 1own h LYS 465 Ca 0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1own h LYS 465 Cb 0.10 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1own h LYS 465 CO -0.00 0.58 -0.16 0.00 -0.57 0.00 0.00 179.45 179.29 1own h ALA 466 N 1.37 -0.33 -0.19 3.86 0.00 -0.50 0.13 119.26 123.60 1own h ALA 466 Ca 0.34 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1own h ALA 466 Cb 0.13 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1own h ALA 466 CO -0.16 -0.71 0.08 -0.07 0.00 0.00 0.00 179.25 178.39 1own h LEU 467 N -0.36 0.10 0.07 0.00 3.38 -0.91 0.64 115.31 118.22 1own h LEU 467 Ca -0.00 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1own h LEU 467 Cb 0.33 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1own h LEU 467 CO -0.03 0.09 -0.46 0.22 0.09 0.00 0.00 178.44 178.34 1own h TYR 468 N 0.18 -1.32 -0.85 1.13 3.20 -0.67 -0.44 116.97 118.20 1own h TYR 468 Ca 0.08 0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.01 1own h TYR 468 Cb 0.04 0.57 -0.05 0.00 1.54 0.00 0.00 36.73 38.83 1own h TYR 468 CO -0.11 -0.54 0.56 -0.91 -1.64 0.00 0.00 178.16 175.52 1own h ASN 469 N -0.66 0.95 -0.54 -2.11 2.35 -0.53 0.35 115.58 115.39 1own h ASN 469 Ca 0.02 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1own h ASN 469 Cb 0.70 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 1own h ASN 469 CO -0.29 0.67 0.35 1.56 -1.65 0.00 0.00 177.43 178.07 1own h GLN 470 N 1.11 0.71 -0.27 0.81 4.20 -0.49 -0.01 115.11 121.17 1own h GLN 470 Ca 0.33 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.91 1own h GLN 470 Cb -0.06 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 1own h GLN 470 CO -0.09 0.47 -0.14 1.25 -0.67 0.00 0.00 178.83 179.65 1own h LEU 471 N 0.73 0.59 -0.87 1.46 5.85 -0.53 0.15 115.31 122.69 1own h LEU 471 Ca 0.20 -0.41 0.12 0.00 0.84 0.00 0.00 57.88 58.62 1own h LEU 471 Cb -0.08 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.71 1own h LEU 471 CO -0.04 0.87 0.49 0.50 -0.34 0.00 0.00 178.44 179.92 1own h LYS 472 N 0.31 0.76 0.08 1.25 3.64 0.01 -0.89 116.57 121.73 1own h LYS 472 Ca 0.06 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1own h LYS 472 Cb 0.65 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1own h LYS 472 CO 0.04 0.50 -0.04 0.00 -2.27 0.00 0.00 179.45 177.68 1own h ALA 473 N 1.50 -0.11 -1.16 5.00 0.00 -0.82 -3.15 119.26 120.52 1own h ALA 473 Ca 0.44 -0.26 0.33 0.00 0.00 0.00 0.00 54.91 55.42 1own h ALA 473 Cb 0.48 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 1own h ALA 473 CO -0.29 -0.28 0.76 0.00 0.00 0.00 0.00 179.25 179.45 1own h ALA 474 N 0.11 2.54 0.00 0.00 0.00 -0.13 -3.51 119.26 118.26 1own h ALA 474 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1own h ALA 474 Cb 0.55 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1own h ALA 474 CO 0.02 -1.00 0.00 -0.89 0.00 0.00 0.00 179.25 177.38