#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvo s LEU 2 N 0.00 4.28 0.61 4.03 2.96 -1.26 -5.01 118.68 124.29 3kvo s LEU 2 Ca 0.00 1.74 -0.10 0.00 -0.22 0.00 0.00 54.13 55.56 3kvo s LEU 2 Cb 0.00 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 3kvo s LEU 2 CO 0.00 -0.53 0.99 -2.16 -1.32 0.00 0.00 176.35 173.32 3kvo s PRO 3 N 2.08 3.36 0.57 0.98 0.04 -1.26 -5.03 135.00 135.74 3kvo s PRO 3 Ca 0.54 0.51 -0.17 0.00 0.04 0.00 0.00 61.00 61.92 3kvo s PRO 3 Cb -0.23 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 3kvo s PRO 3 CO 0.21 -0.62 1.06 -0.80 0.04 0.00 0.00 177.00 176.89 3kvo s ASN 4 N -4.22 5.91 -0.01 6.66 -0.87 -1.26 -4.99 114.94 116.16 3kvo s ASN 4 Ca 0.54 1.86 0.10 0.00 -1.57 0.00 0.00 52.86 53.80 3kvo s ASN 4 Cb -0.11 -2.54 -0.16 0.00 -0.02 0.00 0.00 41.25 38.42 3kvo s ASN 4 CO 0.51 -1.08 0.23 0.41 -2.57 0.00 0.00 177.10 174.60 3kvo n THR 5 N -1.74 0.00 -0.13 1.60 -1.04 -1.26 -4.97 114.28 106.74 3kvo n THR 5 Ca 0.09 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 3kvo n THR 5 Cb 0.53 0.27 0.00 0.00 -1.82 0.00 0.00 70.33 69.31 3kvo n THR 5 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kvo n GLY 6 N 1.92 2.39 0.22 3.41 0.00 -1.26 -4.90 105.19 106.97 3kvo n GLY 6 Ca -0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.15 3kvo n GLY 6 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3kvo h ARG 7 N 1.88 0.00 -0.55 1.61 9.65 -1.93 -2.31 114.38 122.73 3kvo h ARG 7 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3kvo h ARG 7 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3kvo h ARG 7 CO 0.00 0.00 0.00 1.28 2.80 0.00 0.00 179.97 184.05 3kvo n LEU 8 N -2.55 3.53 -4.67 3.80 4.32 -1.26 -4.97 117.00 115.21 3kvo n LEU 8 Ca -0.02 -2.03 -0.46 0.00 -0.02 0.00 0.00 56.01 53.48 3kvo n LEU 8 Cb 0.06 -0.38 -0.04 0.00 -1.62 0.00 0.00 43.42 41.44 3kvo n LEU 8 CO 0.14 0.86 1.19 0.00 -1.22 0.00 0.00 177.39 178.36 3kvo n ALA 9 N 1.09 1.24 0.00 -1.18 0.00 -0.87 -1.80 120.51 118.99 3kvo n ALA 9 Ca 0.19 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.07 3kvo n ALA 9 Cb 0.55 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.66 3kvo n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kvo n GLY 10 N 3.40 2.98 3.78 0.00 0.00 -0.99 -4.93 105.19 109.43 3kvo n GLY 10 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3kvo n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvo s THR 12 N -1.61 4.30 -0.27 0.00 2.01 -1.26 -0.78 115.64 118.03 3kvo s THR 12 Ca 0.55 -0.44 -0.06 0.00 0.31 0.00 0.00 61.69 62.05 3kvo s THR 12 Cb -0.22 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.15 3kvo s THR 12 CO 0.27 0.15 0.04 -0.69 -0.69 0.00 0.00 174.62 173.71 3kvo s VAL 13 N 1.58 3.78 -0.33 3.82 1.01 0.74 -1.15 120.40 129.85 3kvo s VAL 13 Ca 0.04 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 3kvo s VAL 13 Cb -0.16 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 3kvo s VAL 13 CO 0.04 0.20 0.48 0.12 0.00 0.00 0.00 175.10 175.94 3kvo s PHE 14 N 1.49 3.20 -0.20 5.22 5.36 0.84 -0.85 117.98 133.05 3kvo s PHE 14 Ca 0.04 0.21 0.01 0.00 -0.96 0.00 0.00 56.93 56.23 3kvo s PHE 14 Cb -0.16 -2.83 0.03 0.00 -0.34 0.00 0.00 43.02 39.72 3kvo s PHE 14 CO 0.01 -0.47 -0.15 0.42 -1.46 0.00 0.00 175.22 173.57 3kvo s ILE 15 N 2.30 1.91 -0.03 3.12 1.01 -0.35 -0.06 121.20 129.09 3kvo s ILE 15 Ca 0.17 -1.05 -0.27 0.00 0.00 0.00 0.00 60.65 59.50 3kvo s ILE 15 Cb -0.16 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 3kvo s ILE 15 CO 0.12 0.32 0.85 0.42 0.00 0.00 0.00 174.94 176.65 3kvo s THR 16 N 1.31 4.95 -0.34 2.92 -4.23 -0.93 -1.12 115.64 118.20 3kvo s THR 16 Ca 0.01 1.77 -0.01 0.00 -1.18 0.00 0.00 61.69 62.28 3kvo s THR 16 Cb -0.15 -4.19 0.00 0.00 1.34 0.00 0.00 72.50 69.50 3kvo s THR 16 CO -0.10 0.20 0.29 0.61 -0.54 0.00 0.00 174.62 175.08 3kvo n GLY 17 N 3.00 0.42 1.39 3.99 0.00 -0.71 -2.42 105.19 110.86 3kvo n GLY 17 Ca 0.03 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.77 3kvo n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvo n ALA 18 N -2.57 2.53 0.18 4.61 0.00 -1.25 -3.95 120.51 120.05 3kvo n ALA 18 Ca -0.03 -1.37 0.04 0.00 0.00 0.00 0.00 53.44 52.08 3kvo n ALA 18 Cb 0.53 -0.93 0.30 0.00 0.00 0.00 0.00 19.45 19.35 3kvo n ALA 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kvo h SER 19 N 4.20 0.00 -5.10 0.00 4.64 -1.92 -3.33 113.55 112.04 3kvo h SER 19 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3kvo h SER 19 Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 3kvo h SER 19 CO 0.05 0.43 0.19 0.00 -0.87 0.00 0.00 176.83 176.64 3kvo s ARG 20 N -3.64 2.20 2.87 4.77 1.70 -1.26 -4.48 118.95 121.11 3kvo s ARG 20 Ca -0.00 -1.52 0.00 0.00 -0.47 0.00 0.00 55.73 53.74 3kvo s ARG 20 Cb 0.12 0.60 0.00 0.00 -0.57 0.00 0.00 34.95 35.09 3kvo s ARG 20 CO 0.71 -1.02 0.00 0.41 -1.08 0.00 0.00 175.30 174.32 3kvo n GLY 21 N -0.54 2.14 0.20 3.88 0.00 -1.26 -2.73 105.19 106.88 3kvo n GLY 21 Ca -0.07 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 3kvo n GLY 21 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kvo h ILE 22 N 0.00 1.04 -0.53 -0.61 2.04 -1.93 -1.93 117.51 115.59 3kvo h ILE 22 Ca 0.00 -0.19 0.10 0.00 1.00 0.00 0.00 64.86 65.77 3kvo h ILE 22 Cb 0.00 0.44 -0.08 0.00 -0.74 0.00 0.00 36.82 36.45 3kvo h ILE 22 CO 0.00 0.10 0.08 1.23 0.00 0.00 0.00 178.15 179.56 3kvo h GLY 23 N 0.55 0.63 1.30 5.37 0.00 -1.68 0.51 103.07 109.76 3kvo h GLY 23 Ca 0.19 -0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.43 3kvo h GLY 23 CO -0.09 -0.10 -0.05 1.70 0.00 0.00 0.00 176.54 178.00 3kvo h LYS 24 N 0.21 0.84 -0.42 4.80 3.64 -1.24 -1.72 116.57 122.68 3kvo h LYS 24 Ca 0.27 -0.26 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 3kvo h LYS 24 Cb 0.38 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3kvo h LYS 24 CO -0.37 0.87 -0.09 0.00 -2.27 0.00 0.00 179.45 177.59 3kvo h ALA 25 N 1.17 1.06 -0.38 5.00 0.00 -0.34 0.12 119.26 125.89 3kvo h ALA 25 Ca 0.14 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3kvo h ALA 25 Cb 0.54 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3kvo h ALA 25 CO 0.03 0.58 -0.04 0.82 0.00 0.00 0.00 179.25 180.64 3kvo h ILE 26 N 0.67 1.27 -0.12 0.00 2.04 -0.81 -2.68 117.51 117.88 3kvo h ILE 26 Ca 0.12 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 64.94 3kvo h ILE 26 Cb 0.55 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 3kvo h ILE 26 CO 0.03 0.36 -0.10 0.00 0.00 0.00 0.00 178.15 178.44 3kvo h ALA 27 N 0.86 0.00 -0.44 1.87 0.00 -0.84 -2.85 119.26 117.86 3kvo h ALA 27 Ca 0.10 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3kvo h ALA 27 Cb 0.53 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3kvo h ALA 27 CO 0.03 -0.55 0.24 -0.07 0.00 0.00 0.00 179.25 178.90 3kvo h LEU 28 N -0.11 0.53 -0.11 0.00 3.38 -0.64 0.06 115.31 118.42 3kvo h LEU 28 Ca 0.08 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 3kvo h LEU 28 Cb 0.23 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3kvo h LEU 28 CO -0.19 0.43 -0.35 0.50 0.09 0.00 0.00 178.44 178.91 3kvo h LYS 29 N 0.61 0.44 -0.28 1.13 1.63 -1.32 -2.78 116.57 115.99 3kvo h LYS 29 Ca 0.16 -0.32 0.01 0.00 -0.85 0.00 0.00 60.65 59.65 3kvo h LYS 29 Cb 0.01 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 3kvo h LYS 29 CO -0.03 0.94 0.16 0.00 -3.45 0.00 0.00 179.45 177.08 3kvo h ALA 30 N 0.50 0.35 -0.99 5.00 0.00 -1.31 -2.79 119.26 120.01 3kvo h ALA 30 Ca -0.01 -0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.15 3kvo h ALA 30 Cb 0.98 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 3kvo h ALA 30 CO 0.08 -0.22 0.66 0.00 0.00 0.00 0.00 179.25 179.77 3kvo h ALA 31 N 1.13 2.40 0.00 0.00 0.00 -0.86 -0.70 119.26 121.22 3kvo h ALA 31 Ca 0.11 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kvo h ALA 31 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kvo h ALA 31 CO -0.06 -0.74 -0.00 0.87 0.00 0.00 0.00 179.25 179.32 3kvo h LYS 32 N 0.31 0.00 -0.00 0.00 1.57 -1.21 0.56 116.57 117.79 3kvo h LYS 32 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 3kvo h LYS 32 Cb 1.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.81 3kvo h LYS 32 CO -0.18 0.00 -0.03 -0.25 -0.57 0.00 0.00 179.45 178.42 3kvo n ASP 33 N -3.10 0.49 -0.30 0.86 8.00 -0.27 -4.91 116.55 117.32 3kvo n ASP 33 Ca -0.01 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.55 3kvo n ASP 33 Cb 0.20 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 3kvo n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kvo n GLY 34 N 1.14 0.82 3.85 0.44 0.00 0.14 -3.32 105.19 108.26 3kvo n GLY 34 Ca 0.19 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 3kvo n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvo s ALA 35 N -2.59 2.87 -0.22 4.61 0.00 -1.23 -2.35 121.76 122.84 3kvo s ALA 35 Ca 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 51.96 51.80 3kvo s ALA 35 Cb 0.00 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 3kvo s ALA 35 CO 0.00 -1.01 0.06 -0.80 0.00 0.00 0.00 175.76 174.01 3kvo s ASN 36 N -4.07 5.26 -0.13 0.00 0.01 0.03 -0.95 114.94 115.10 3kvo s ASN 36 Ca 0.57 -0.11 -0.03 0.00 -0.71 0.00 0.00 52.86 52.58 3kvo s ASN 36 Cb -0.12 -1.93 -0.03 0.00 0.41 0.00 0.00 41.25 39.58 3kvo s ASN 36 CO 0.54 0.04 -0.03 -0.63 -1.51 0.00 0.00 177.10 175.52 3kvo s ILE 37 N 1.15 4.01 -0.23 0.60 -1.09 0.23 -0.18 121.20 125.69 3kvo s ILE 37 Ca 0.04 -0.33 -0.08 0.00 -2.23 0.00 0.00 60.65 58.05 3kvo s ILE 37 Cb -0.14 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.97 3kvo s ILE 37 CO 0.03 0.53 0.09 -0.69 -1.23 0.00 0.00 174.94 173.67 3kvo s VAL 38 N -0.11 4.65 -0.42 2.92 1.01 -0.03 -0.88 120.40 127.54 3kvo s VAL 38 Ca 0.03 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 3kvo s VAL 38 Cb -0.13 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.15 3kvo s VAL 38 CO 0.02 0.37 0.28 -0.63 0.00 0.00 0.00 175.10 175.14 3kvo s ILE 39 N 1.20 4.67 -0.76 2.22 1.01 -0.42 -1.21 121.20 127.91 3kvo s ILE 39 Ca 0.05 -1.08 -0.06 0.00 0.00 0.00 0.00 60.65 59.56 3kvo s ILE 39 Cb -0.14 -3.73 0.19 0.00 0.01 0.00 0.00 42.46 38.79 3kvo s ILE 39 CO 0.04 -0.42 0.63 0.00 0.00 0.00 0.00 174.94 175.19 3kvo s ALA 40 N 1.54 3.91 0.21 9.38 0.00 -0.28 -1.26 121.76 135.26 3kvo s ALA 40 Ca 0.03 -3.43 -0.02 0.00 0.00 0.00 0.00 51.96 48.53 3kvo s ALA 40 Cb -0.22 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 3kvo s ALA 40 CO 0.05 -2.17 0.17 0.00 0.00 0.00 0.00 175.76 173.82 3kvo s ALA 41 N -0.33 1.00 0.09 0.00 0.00 -1.15 -1.74 121.76 119.62 3kvo s ALA 41 Ca 0.20 -1.60 -0.01 0.00 0.00 0.00 0.00 51.96 50.55 3kvo s ALA 41 Cb -0.15 1.35 -0.26 0.00 0.00 0.00 0.00 23.12 24.07 3kvo s ALA 41 CO -0.07 -0.62 1.17 0.87 0.00 0.00 0.00 175.76 177.11 3kvo h LYS 42 N 2.58 0.18 -6.63 0.00 1.57 -1.76 0.14 116.57 112.65 3kvo h LYS 42 Ca -0.35 -0.31 -0.56 0.00 -1.87 0.00 0.00 60.65 57.56 3kvo h LYS 42 Cb 1.25 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 33.61 3kvo h LYS 42 CO 0.51 1.14 0.97 0.99 -0.57 0.00 0.00 179.45 182.48 3kvo s THR 43 N -2.67 4.13 -0.05 -0.16 2.01 -1.26 -4.78 115.64 112.86 3kvo s THR 43 Ca -0.03 1.17 0.03 0.00 0.31 0.00 0.00 61.69 63.18 3kvo s THR 43 Cb 0.08 -4.47 -0.05 0.00 0.01 0.00 0.00 72.50 68.07 3kvo s THR 43 CO 0.86 -0.89 -0.01 0.00 -0.69 0.00 0.00 174.62 173.89 3kvo n ALA 44 N 8.05 1.87 -2.77 7.40 0.00 -1.26 0.04 120.51 133.85 3kvo n ALA 44 Ca 0.13 -0.31 -0.33 0.00 0.00 0.00 0.00 53.44 52.94 3kvo n ALA 44 Cb 0.48 0.22 -0.07 0.00 0.00 0.00 0.00 19.45 20.08 3kvo n ALA 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3kvo s GLN 45 N -2.12 3.05 -0.47 0.00 -0.44 -1.26 -4.79 119.66 113.62 3kvo s GLN 45 Ca -0.04 -0.49 -0.27 0.00 -2.50 0.00 0.00 55.36 52.05 3kvo s GLN 45 Cb 0.02 -2.85 -0.02 0.00 -1.64 0.00 0.00 33.01 28.52 3kvo s GLN 45 CO 0.18 0.65 1.84 -2.14 0.50 0.00 0.00 175.29 176.32 3kvo s PRO 46 N -1.70 2.96 0.39 1.67 0.02 -1.26 -4.94 135.00 132.13 3kvo s PRO 46 Ca 0.22 1.04 -0.26 0.00 0.02 0.00 0.00 61.00 62.02 3kvo s PRO 46 Cb -0.12 -4.30 -0.09 0.00 0.02 0.00 0.00 34.50 30.01 3kvo s PRO 46 CO 0.13 -2.32 1.26 -3.38 -0.33 0.00 0.00 177.00 172.37 3kvo s HIS 47 N 8.11 2.95 0.02 6.54 -3.43 -1.26 -4.98 115.29 123.24 3kvo s HIS 47 Ca 0.74 1.46 -0.21 0.00 -0.80 0.00 0.00 55.06 56.25 3kvo s HIS 47 Cb -0.17 -3.59 -0.17 0.00 -1.43 0.00 0.00 32.58 27.21 3kvo s HIS 47 CO 0.27 -1.81 1.25 -1.00 -2.00 0.00 0.00 174.74 171.45 3kvo h PRO 48 N 2.84 0.35 0.21 -0.38 0.13 -2.02 -3.29 132.00 129.84 3kvo h PRO 48 Ca -0.49 -0.24 0.01 0.00 -0.87 0.00 0.00 66.00 64.40 3kvo h PRO 48 Cb 1.24 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 3kvo h PRO 48 CO 0.63 0.85 -0.52 0.87 -0.23 0.00 0.00 178.00 179.60 3kvo h LYS 49 N -0.09 -0.78 -7.44 0.86 6.56 -2.03 -3.43 116.57 110.21 3kvo h LYS 49 Ca -0.00 0.05 -0.46 0.00 -1.06 0.00 0.00 60.65 59.19 3kvo h LYS 49 Cb 0.86 0.18 0.14 0.00 -0.57 0.00 0.00 32.23 32.84 3kvo h LYS 49 CO 0.05 -0.52 0.25 -0.51 -2.06 0.00 0.00 179.45 176.67 3kvo s LEU 50 N -10.11 1.80 -0.09 2.94 1.02 -1.24 -5.08 118.68 107.92 3kvo s LEU 50 Ca -0.17 1.03 0.02 0.00 0.02 0.00 0.00 54.13 55.03 3kvo s LEU 50 Cb 0.06 -3.27 0.02 0.00 0.02 0.00 0.00 46.19 43.01 3kvo s LEU 50 CO 0.60 -2.84 -0.13 -0.76 0.02 0.00 0.00 176.35 173.24 3kvo s LEU 51 N -6.23 1.61 0.00 1.79 1.02 -1.26 -4.71 118.68 110.89 3kvo s LEU 51 Ca 0.65 -0.35 0.00 0.00 0.02 0.00 0.00 54.13 54.45 3kvo s LEU 51 Cb -0.16 -0.93 0.00 0.00 0.02 0.00 0.00 46.19 45.12 3kvo s LEU 51 CO 0.55 0.01 0.00 0.61 0.02 0.00 0.00 176.35 177.54 3kvo n GLY 52 N 4.12 -1.60 3.42 -3.19 0.00 -1.26 -4.84 105.19 101.84 3kvo n GLY 52 Ca -0.20 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 3kvo n GLY 52 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kvo n THR 53 N -0.58 0.00 0.25 2.61 -2.24 -1.26 -4.89 114.28 108.17 3kvo n THR 53 Ca 0.00 -2.25 0.12 0.00 -2.27 0.00 0.00 64.05 59.65 3kvo n THR 53 Cb 0.00 0.43 0.64 0.00 -2.10 0.00 0.00 70.33 69.30 3kvo n THR 53 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 3kvo h ILE 54 N 1.22 0.58 0.11 2.28 3.07 -0.69 -2.88 117.51 121.19 3kvo h ILE 54 Ca -0.39 -0.74 -0.28 0.00 1.55 0.00 0.00 64.86 65.00 3kvo h ILE 54 Cb 1.20 1.48 0.02 0.00 -0.27 0.00 0.00 36.82 39.25 3kvo h ILE 54 CO 0.65 0.16 -1.19 1.88 -1.05 0.00 0.00 178.15 178.60 3kvo h TYR 55 N 0.00 0.78 -0.13 0.16 0.05 -1.87 -2.45 116.97 113.51 3kvo h TYR 55 Ca -0.00 -0.50 -0.17 0.00 0.05 0.00 0.00 58.73 58.11 3kvo h TYR 55 Cb 0.47 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 38.15 3kvo h TYR 55 CO 0.00 1.35 -0.64 1.79 -1.05 0.00 0.00 178.16 179.61 3kvo h THR 56 N 0.20 1.34 -0.20 -2.88 1.35 -1.94 -1.47 112.91 109.32 3kvo h THR 56 Ca -0.15 -1.96 0.03 0.00 -0.55 0.00 0.00 66.41 63.78 3kvo h THR 56 Cb 1.87 1.94 -0.03 0.00 -1.73 0.00 0.00 68.15 70.20 3kvo h THR 56 CO 0.21 0.60 0.02 0.00 -0.25 0.00 0.00 175.52 176.10 3kvo h ALA 57 N 0.94 0.19 -0.42 6.62 0.00 -1.57 -0.84 119.26 124.18 3kvo h ALA 57 Ca -0.01 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.03 3kvo h ALA 57 Cb 1.20 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 3kvo h ALA 57 CO 0.12 -0.42 -0.33 0.00 0.00 0.00 0.00 179.25 178.62 3kvo h ALA 58 N 1.16 -0.17 -0.94 0.00 0.00 -1.18 0.16 119.26 118.28 3kvo h ALA 58 Ca 0.09 0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.23 3kvo h ALA 58 Cb 0.11 0.72 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 3kvo h ALA 58 CO -0.15 -0.73 0.60 0.93 0.00 0.00 0.00 179.25 179.91 3kvo h GLU 59 N -0.24 0.88 -0.11 0.00 5.08 -0.78 -1.42 114.58 117.98 3kvo h GLU 59 Ca 0.18 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.25 3kvo h GLU 59 Cb 0.54 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.60 3kvo h GLU 59 CO -0.56 0.58 -0.84 0.93 -1.00 0.00 0.00 179.01 178.12 3kvo h GLU 60 N 0.90 0.73 -0.58 2.33 5.08 0.52 -1.75 114.58 121.81 3kvo h GLU 60 Ca 0.45 -0.64 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 3kvo h GLU 60 Cb 0.49 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3kvo h GLU 60 CO -0.21 1.24 0.08 0.82 -1.00 0.00 0.00 179.01 179.94 3kvo h ILE 61 N 0.48 1.25 -0.39 3.13 2.04 -0.44 -2.75 117.51 120.82 3kvo h ILE 61 Ca -0.07 -0.99 -0.14 0.00 1.00 0.00 0.00 64.86 64.67 3kvo h ILE 61 Cb 1.47 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 3kvo h ILE 61 CO 0.17 0.36 -0.31 -0.33 0.00 0.00 0.00 178.15 178.04 3kvo h GLU 62 N 0.89 0.87 0.00 2.37 5.08 -1.26 -2.23 114.58 120.29 3kvo h GLU 62 Ca 0.18 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3kvo h GLU 62 Cb 0.42 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3kvo h GLU 62 CO 0.01 1.05 -0.06 0.00 -1.00 0.00 0.00 179.01 179.01 3kvo h ALA 63 N 0.91 1.22 0.00 3.43 0.00 -1.09 -2.59 119.26 121.14 3kvo h ALA 63 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kvo h ALA 63 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3kvo h ALA 63 CO 0.08 0.08 -0.82 0.28 0.00 0.00 0.00 179.25 178.86 3kvo n VAL 64 N -3.48 0.04 0.00 0.00 0.31 -1.06 -4.95 118.33 109.20 3kvo n VAL 64 Ca -0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 3kvo n VAL 64 Cb 0.19 0.49 0.00 0.00 -0.91 0.00 0.00 33.84 33.60 3kvo n VAL 64 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kvo n GLY 65 N 1.46 1.13 3.67 2.92 0.00 -0.97 -4.53 105.19 108.87 3kvo n GLY 65 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 3kvo n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kvo n GLY 66 N -0.04 2.15 3.44 -0.02 0.00 -0.85 -3.93 105.19 105.93 3kvo n GLY 66 Ca 0.00 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 43.46 3kvo n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kvo s LYS 67 N -4.40 2.71 -0.09 1.61 -0.14 -0.13 -4.03 119.74 115.27 3kvo s LYS 67 Ca 0.51 -0.71 0.03 0.00 -1.36 0.00 0.00 55.97 54.44 3kvo s LYS 67 Cb -0.04 -2.42 0.01 0.00 -1.68 0.00 0.00 37.83 33.70 3kvo s LYS 67 CO 0.32 0.51 -0.18 0.00 -0.76 0.00 0.00 175.35 175.24 3kvo s ALA 68 N -0.44 1.79 -0.36 5.17 0.00 -1.26 0.75 121.76 127.41 3kvo s ALA 68 Ca 0.05 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.26 3kvo s ALA 68 Cb -0.12 -0.75 0.10 0.00 0.00 0.00 0.00 23.12 22.35 3kvo s ALA 68 CO 0.02 0.15 0.11 -1.17 0.00 0.00 0.00 175.76 174.86 3kvo s LEU 69 N 0.59 4.87 -0.55 0.00 2.96 -0.06 -4.98 118.68 121.51 3kvo s LEU 69 Ca -0.15 -2.00 -0.23 0.00 -0.22 0.00 0.00 54.13 51.53 3kvo s LEU 69 Cb -0.17 -1.72 0.05 0.00 0.50 0.00 0.00 46.19 44.85 3kvo s LEU 69 CO 0.05 -0.44 0.90 -2.16 -1.32 0.00 0.00 176.35 173.38 3kvo s PRO 70 N 1.05 3.28 -0.05 0.98 0.04 -1.26 -1.30 135.00 137.74 3kvo s PRO 70 Ca 0.08 -0.39 -0.00 0.00 0.04 0.00 0.00 61.00 60.72 3kvo s PRO 70 Cb -0.21 -4.07 -0.03 0.00 0.04 0.00 0.00 34.50 30.23 3kvo s PRO 70 CO -0.06 -1.47 -0.01 0.00 0.04 0.00 0.00 177.00 175.50 3kvo s ILE 72 N -0.95 4.12 -0.10 0.00 1.01 -1.26 -2.94 121.20 121.08 3kvo s ILE 72 Ca 0.16 1.14 -0.02 0.00 0.00 0.00 0.00 60.65 61.93 3kvo s ILE 72 Cb -0.11 -4.52 0.03 0.00 0.01 0.00 0.00 42.46 37.88 3kvo s ILE 72 CO 0.05 -0.97 0.00 -0.69 0.00 0.00 0.00 174.94 173.34 3kvo s VAL 73 N 4.72 0.45 -0.44 2.92 1.01 0.48 -4.89 120.40 124.65 3kvo s VAL 73 Ca 0.51 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.31 3kvo s VAL 73 Cb -0.09 -0.68 0.08 0.00 0.00 0.00 0.00 36.38 35.69 3kvo s VAL 73 CO 0.32 0.16 0.32 -0.62 0.00 0.00 0.00 175.10 175.28 3kvo s ASP 74 N 1.93 5.86 0.00 3.32 -1.08 -1.26 -2.31 116.67 123.13 3kvo s ASP 74 Ca 0.04 -1.45 0.00 0.00 -0.52 0.00 0.00 52.55 50.61 3kvo s ASP 74 Cb -0.13 -2.07 0.00 0.00 -1.46 0.00 0.00 42.92 39.25 3kvo s ASP 74 CO -0.06 -0.59 0.78 1.33 0.52 0.00 0.00 175.17 177.15 3kvo n VAL 75 N 5.04 1.21 0.24 1.11 0.24 -1.26 0.24 118.33 125.15 3kvo n VAL 75 Ca -0.11 0.35 0.13 0.00 -2.04 0.00 0.00 64.34 62.67 3kvo n VAL 75 Cb 0.43 -1.35 0.45 0.00 -1.47 0.00 0.00 33.84 31.90 3kvo n VAL 75 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3kvo h ARG 76 N 0.00 0.00 -4.56 7.34 3.08 -1.93 -3.40 114.38 114.92 3kvo h ARG 76 Ca 0.00 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.34 3kvo h ARG 76 Cb 0.10 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 29.89 3kvo h ARG 76 CO 0.00 0.10 -0.51 0.34 -1.07 0.00 0.00 179.97 178.84 3kvo s ASP 77 N -6.02 5.69 0.37 7.04 -1.08 0.14 -4.97 116.67 117.84 3kvo s ASP 77 Ca 0.03 -1.14 0.06 0.00 -0.52 0.00 0.00 52.55 50.98 3kvo s ASP 77 Cb 0.08 -2.01 0.76 0.00 -1.46 0.00 0.00 42.92 40.30 3kvo s ASP 77 CO 0.62 -0.42 1.98 -0.08 0.52 0.00 0.00 175.17 177.79 3kvo h GLU 78 N 8.42 0.70 -0.85 4.34 4.81 -1.84 -1.31 114.58 128.85 3kvo h GLU 78 Ca -0.25 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.01 3kvo h GLU 78 Cb 1.10 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.26 3kvo h GLU 78 CO 0.69 0.46 0.52 1.96 -0.73 0.00 0.00 179.01 181.91 3kvo h GLN 79 N 0.72 0.91 -0.25 1.92 7.50 -1.94 -1.96 115.11 122.00 3kvo h GLN 79 Ca 0.27 -0.05 -0.11 0.00 0.50 0.00 0.00 58.65 59.26 3kvo h GLN 79 Cb 0.17 -0.21 -0.01 0.00 0.05 0.00 0.00 27.48 27.48 3kvo h GLN 79 CO -0.08 0.60 -0.32 1.96 -1.50 0.00 0.00 178.83 179.49 3kvo h GLN 80 N 0.94 0.52 -0.64 1.46 4.20 -1.56 -1.32 115.11 118.71 3kvo h GLN 80 Ca 0.38 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 3kvo h GLN 80 Cb 0.21 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 3kvo h GLN 80 CO -0.19 0.78 0.16 0.82 -0.67 0.00 0.00 178.83 179.74 3kvo h ILE 81 N 0.45 1.25 -0.01 2.54 2.04 -1.24 -2.11 117.51 120.43 3kvo h ILE 81 Ca 0.05 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 3kvo h ILE 81 Cb 0.77 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3kvo h ILE 81 CO 0.06 0.34 -0.01 0.28 0.00 0.00 0.00 178.15 178.83 3kvo h SER 82 N 0.96 0.02 -0.98 1.72 0.02 -0.81 -1.97 113.55 112.51 3kvo h SER 82 Ca 0.21 -0.48 0.17 0.00 -0.84 0.00 0.00 61.79 60.84 3kvo h SER 82 Cb 0.33 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.77 3kvo h SER 82 CO -0.00 0.50 0.59 0.00 -1.14 0.00 0.00 176.83 176.78 3kvo h ALA 83 N 0.52 1.58 -0.23 3.77 0.00 -1.23 0.42 119.26 124.09 3kvo h ALA 83 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3kvo h ALA 83 Cb 0.49 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3kvo h ALA 83 CO 0.00 0.00 0.02 0.00 0.00 0.00 0.00 179.25 179.27 3kvo h ALA 84 N 1.61 0.31 -0.14 0.00 0.00 -1.31 0.91 119.26 120.64 3kvo h ALA 84 Ca 0.55 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3kvo h ALA 84 Cb 0.78 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3kvo h ALA 84 CO -0.36 0.02 0.02 0.28 0.00 0.00 0.00 179.25 179.21 3kvo h VAL 85 N 0.19 1.23 -0.39 0.00 2.07 -0.53 0.14 116.25 118.95 3kvo h VAL 85 Ca 0.07 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.87 3kvo h VAL 85 Cb 0.37 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3kvo h VAL 85 CO 0.01 0.22 0.22 -0.08 0.02 0.00 0.00 177.57 177.96 3kvo h GLU 86 N 0.01 0.44 -0.61 1.57 4.57 -0.18 -0.53 114.58 119.85 3kvo h GLU 86 Ca 0.04 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.27 3kvo h GLU 86 Cb 0.32 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.75 3kvo h GLU 86 CO 0.00 0.29 0.29 -0.22 -1.18 0.00 0.00 179.01 178.19 3kvo h LYS 87 N 0.45 0.52 -0.76 1.92 3.64 -0.65 -2.01 116.57 119.67 3kvo h LYS 87 Ca 0.16 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 3kvo h LYS 87 Cb 0.03 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.68 3kvo h LYS 87 CO -0.08 0.34 0.48 0.00 -2.27 0.00 0.00 179.45 177.92 3kvo h ALA 88 N 1.36 1.00 -0.29 5.00 0.00 0.35 -1.47 119.26 125.21 3kvo h ALA 88 Ca 0.29 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3kvo h ALA 88 Cb 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kvo h ALA 88 CO -0.22 0.28 0.05 0.82 0.00 0.00 0.00 179.25 180.17 3kvo h ILE 89 N 0.94 1.23 -0.77 0.00 1.08 -0.61 0.44 117.51 119.81 3kvo h ILE 89 Ca 0.31 -0.79 -0.02 0.00 -0.39 0.00 0.00 64.86 63.97 3kvo h ILE 89 Cb 0.03 1.19 -0.04 0.00 -3.07 0.00 0.00 36.82 34.93 3kvo h ILE 89 CO -0.12 0.26 0.41 0.11 -0.69 0.00 0.00 178.15 178.13 3kvo h LYS 90 N 0.30 1.07 0.16 2.37 6.56 -1.17 0.02 116.57 125.87 3kvo h LYS 90 Ca 0.09 -0.12 -0.31 0.00 -1.06 0.00 0.00 60.65 59.24 3kvo h LYS 90 Cb 0.34 -0.21 0.01 0.00 -0.57 0.00 0.00 32.23 31.79 3kvo h LYS 90 CO 0.01 0.79 -1.51 -0.22 -2.06 0.00 0.00 179.45 176.46 3kvo h LYS 91 N 1.08 0.34 0.00 3.15 3.11 -1.10 -3.41 116.57 119.72 3kvo h LYS 91 Ca 0.27 -0.57 -0.01 0.00 -2.81 0.00 0.00 60.65 57.53 3kvo h LYS 91 Cb 0.04 0.21 -0.00 0.00 -1.00 0.00 0.00 32.23 31.48 3kvo h LYS 91 CO -0.04 1.23 -1.10 1.19 -2.81 0.00 0.00 179.45 177.92 3kvo n PHE 92 N -3.54 0.00 0.00 1.91 3.72 0.13 -5.06 117.46 114.62 3kvo n PHE 92 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 3kvo n PHE 92 Cb 1.06 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 3kvo n PHE 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kvo n GLY 93 N 2.54 2.75 0.00 1.37 0.00 -0.01 -5.01 105.19 106.83 3kvo n GLY 93 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3kvo n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kvo n GLY 94 N -0.85 1.30 2.88 -0.02 0.00 -1.26 -4.92 105.19 102.32 3kvo n GLY 94 Ca 0.00 -0.87 -0.19 0.00 0.00 0.00 0.00 46.02 44.96 3kvo n GLY 94 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kvo s ILE 95 N -2.50 0.47 -0.19 -0.61 1.01 -1.26 -4.68 121.20 113.44 3kvo s ILE 95 Ca 0.00 -0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.61 3kvo s ILE 95 Cb 0.00 -0.51 -0.15 0.00 0.01 0.00 0.00 42.46 41.82 3kvo s ILE 95 CO 0.00 0.21 -0.12 0.47 0.00 0.00 0.00 174.94 175.50 3kvo n ASP 96 N 4.05 2.13 -3.98 3.58 8.00 -0.30 -3.80 116.55 126.23 3kvo n ASP 96 Ca -0.25 -0.08 -0.20 0.00 0.71 0.00 0.00 54.79 54.97 3kvo n ASP 96 Cb 0.51 -0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.45 3kvo n ASP 96 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kvo s ILE 97 N -2.39 0.72 -0.13 0.53 1.01 -0.95 -1.71 121.20 118.27 3kvo s ILE 97 Ca -0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 3kvo s ILE 97 Cb 0.06 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.86 3kvo s ILE 97 CO 0.50 0.24 -0.12 -0.22 0.00 0.00 0.00 174.94 175.34 3kvo s LEU 98 N 0.35 2.78 -0.27 2.97 2.96 0.61 -0.11 118.68 127.96 3kvo s LEU 98 Ca -0.05 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 3kvo s LEU 98 Cb -0.10 -1.63 0.05 0.00 0.50 0.00 0.00 46.19 45.01 3kvo s LEU 98 CO 0.01 0.16 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.45 3kvo s VAL 99 N 0.37 2.61 -0.96 1.68 1.01 0.91 -0.73 120.40 125.29 3kvo s VAL 99 Ca -0.10 -1.44 -0.20 0.00 0.00 0.00 0.00 61.98 60.25 3kvo s VAL 99 Cb -0.16 -2.48 0.11 0.00 0.00 0.00 0.00 36.38 33.85 3kvo s VAL 99 CO 0.05 -0.02 1.22 0.20 0.00 0.00 0.00 175.10 176.55 3kvo s ASN 100 N 1.20 6.60 -0.01 3.32 0.01 0.05 -2.18 114.94 123.91 3kvo s ASN 100 Ca -0.06 -1.89 0.11 0.00 -0.71 0.00 0.00 52.86 50.31 3kvo s ASN 100 Cb -0.19 -2.45 -0.16 0.00 0.41 0.00 0.00 41.25 38.86 3kvo s ASN 100 CO -0.03 -1.18 0.25 -3.20 -1.51 0.00 0.00 177.10 171.42 3kvo n ASN 101 N 7.19 2.37 -4.77 -1.22 5.15 -1.20 -2.44 115.26 120.35 3kvo n ASN 101 Ca 0.27 -0.07 -0.39 0.00 -0.60 0.00 0.00 54.58 53.78 3kvo n ASN 101 Cb 0.50 1.44 -0.02 0.00 -0.53 0.00 0.00 39.78 41.17 3kvo n ASN 101 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kvo s ALA 102 N -2.67 3.29 0.18 5.20 0.00 -1.02 -4.86 121.76 121.88 3kvo s ALA 102 Ca -0.03 1.14 -0.20 0.00 0.00 0.00 0.00 51.96 52.88 3kvo s ALA 102 Cb 0.07 -3.44 0.04 0.00 0.00 0.00 0.00 23.12 19.79 3kvo s ALA 102 CO 0.44 -0.66 0.55 -1.12 0.00 0.00 0.00 175.76 174.98 3kvo s SER 103 N -0.80 -0.36 0.06 0.00 0.01 -1.26 -4.59 113.70 106.76 3kvo s SER 103 Ca 0.54 -0.30 0.08 0.00 1.31 0.00 0.00 55.95 57.58 3kvo s SER 103 Cb -0.36 0.58 -0.03 0.00 0.21 0.00 0.00 66.02 66.43 3kvo s SER 103 CO 0.46 -1.02 -0.22 0.00 0.41 0.00 0.00 173.24 172.87 3kvo s ALA 104 N -3.82 1.91 0.01 1.44 0.00 -1.26 -4.97 121.76 115.06 3kvo s ALA 104 Ca 0.06 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 50.88 3kvo s ALA 104 Cb -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 3kvo s ALA 104 CO -0.07 0.43 -0.09 -1.50 0.00 0.00 0.00 175.76 174.53 3kvo s ILE 105 N -0.88 0.69 -0.22 0.00 2.07 -1.26 -4.79 121.20 116.80 3kvo s ILE 105 Ca 0.09 -0.53 -0.07 0.00 -1.41 0.00 0.00 60.65 58.73 3kvo s ILE 105 Cb -0.09 -0.61 0.10 0.00 0.13 0.00 0.00 42.46 41.99 3kvo s ILE 105 CO 0.03 0.08 0.47 -0.55 -1.91 0.00 0.00 174.94 173.06 3kvo s SER 106 N -0.50 -0.43 -0.65 4.50 0.15 -1.26 -5.06 113.70 110.45 3kvo s SER 106 Ca 0.01 1.07 -0.02 0.00 0.70 0.00 0.00 55.95 57.71 3kvo s SER 106 Cb -0.05 1.55 0.32 0.00 -1.71 0.00 0.00 66.02 66.13 3kvo s SER 106 CO 0.00 -0.23 2.15 0.18 1.20 0.00 0.00 173.24 176.54 3kvo n LEU 107 N 5.40 7.29 -4.92 3.45 4.77 -1.26 -4.54 117.00 127.19 3kvo n LEU 107 Ca -0.09 -4.32 -0.21 0.00 -0.03 0.00 0.00 56.01 51.37 3kvo n LEU 107 Cb 0.49 -1.06 -0.02 0.00 -2.33 0.00 0.00 43.42 40.50 3kvo n LEU 107 CO -0.01 1.58 -0.05 0.42 -1.33 0.00 0.00 177.39 178.01 3kvo s THR 108 N -4.17 4.39 0.00 -5.08 -4.23 -1.26 -4.59 115.64 100.70 3kvo s THR 108 Ca 0.55 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 3kvo s THR 108 Cb 0.43 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.78 3kvo s THR 108 CO -0.19 -0.25 0.00 -0.46 -0.54 0.00 0.00 174.62 173.18 3kvo n ASN 109 N -1.41 0.09 0.09 3.99 0.23 -1.26 -3.46 115.26 113.53 3kvo n ASN 109 Ca -0.05 -0.51 -0.13 0.00 -0.53 0.00 0.00 54.58 53.36 3kvo n ASN 109 Cb 0.58 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.21 3kvo n ASN 109 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3kvo h THR 110 N 0.02 0.91 0.00 5.53 2.02 -1.95 -2.13 112.91 117.30 3kvo h THR 110 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3kvo h THR 110 Cb 0.00 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3kvo h THR 110 CO 0.00 0.01 -0.42 -0.07 0.37 0.00 0.00 175.52 175.41 3kvo h LEU 111 N -0.16 0.00 0.00 2.58 4.07 -2.03 -3.35 115.31 116.43 3kvo h LEU 111 Ca -0.01 -0.14 -0.15 0.00 0.08 0.00 0.00 57.88 57.66 3kvo h LEU 111 Cb 0.12 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.84 3kvo h LEU 111 CO 0.02 0.07 -1.45 0.47 -1.08 0.00 0.00 178.44 176.47 3kvo n ASP 112 N -2.18 0.76 -4.58 -0.43 9.92 -1.15 -4.90 116.55 113.98 3kvo n ASP 112 Ca 0.04 0.33 -0.43 0.00 -0.53 0.00 0.00 54.79 54.20 3kvo n ASP 112 Cb 0.44 0.36 -0.04 0.00 -0.64 0.00 0.00 41.12 41.24 3kvo n ASP 112 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3kvo s THR 113 N -2.99 4.61 0.54 -3.53 2.01 -0.81 -4.78 115.64 110.68 3kvo s THR 113 Ca -0.03 0.94 -0.20 0.00 0.31 0.00 0.00 61.69 62.70 3kvo s THR 113 Cb 0.09 -4.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 3kvo s THR 113 CO 0.82 -0.59 1.20 -2.84 -0.69 0.00 0.00 174.62 172.51 3kvo s PRO 114 N 3.41 3.28 0.26 4.92 0.02 -1.26 -4.83 135.00 140.80 3kvo s PRO 114 Ca 0.35 1.81 -0.02 0.00 0.02 0.00 0.00 61.00 63.17 3kvo s PRO 114 Cb -0.12 -2.11 0.46 0.00 0.02 0.00 0.00 34.50 32.76 3kvo s PRO 114 CO 0.20 -0.96 1.84 1.15 -0.33 0.00 0.00 177.00 178.90 3kvo h THR 115 N 1.28 0.95 -0.37 0.99 2.02 -1.98 -0.80 112.91 114.99 3kvo h THR 115 Ca -0.50 -0.33 0.07 0.00 0.77 0.00 0.00 66.41 66.42 3kvo h THR 115 Cb 1.28 -0.09 -0.07 0.00 -1.74 0.00 0.00 68.15 67.53 3kvo h THR 115 CO 0.57 0.17 -0.05 0.11 0.37 0.00 0.00 175.52 176.70 3kvo h LYS 116 N 0.96 0.04 -0.79 6.66 6.56 -1.99 0.24 116.57 128.25 3kvo h LYS 116 Ca 0.45 -0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 60.01 3kvo h LYS 116 Cb 0.37 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.98 3kvo h LYS 116 CO -0.24 0.03 0.40 0.00 -2.06 0.00 0.00 179.45 177.58 3kvo h ARG 117 N 0.05 1.12 -0.04 3.15 2.47 -1.58 0.11 114.38 119.66 3kvo h ARG 117 Ca 0.18 -0.15 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3kvo h ARG 117 Cb 0.27 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 28.38 3kvo h ARG 117 CO -0.35 0.85 0.02 1.25 0.56 0.00 0.00 179.97 182.29 3kvo h LEU 118 N 1.12 0.05 -1.14 3.04 5.85 -0.29 -2.40 115.31 121.54 3kvo h LEU 118 Ca 0.28 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3kvo h LEU 118 Cb 0.08 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3kvo h LEU 118 CO -0.04 0.18 0.13 0.44 -0.34 0.00 0.00 178.44 178.81 3kvo h ASP 119 N -0.08 0.68 -0.79 1.25 3.32 -0.15 -2.04 116.42 118.61 3kvo h ASP 119 Ca 0.01 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 3kvo h ASP 119 Cb 0.14 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 3kvo h ASP 119 CO -0.00 0.67 0.40 0.25 -1.72 0.00 0.00 179.24 178.84 3kvo h LEU 120 N 0.72 1.02 0.01 1.55 5.85 -0.60 0.58 115.31 124.44 3kvo h LEU 120 Ca 0.16 -0.11 -0.19 0.00 0.84 0.00 0.00 57.88 58.59 3kvo h LEU 120 Cb 0.25 -0.26 0.02 0.00 0.37 0.00 0.00 40.66 41.03 3kvo h LEU 120 CO -0.00 0.85 -0.74 0.24 -0.34 0.00 0.00 178.44 178.44 3kvo h MET 121 N 1.13 0.49 -0.89 1.25 2.86 -0.92 -0.84 114.93 118.01 3kvo h MET 121 Ca 0.28 -0.54 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 3kvo h MET 121 Cb 0.09 0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 3kvo h MET 121 CO -0.04 1.18 0.48 0.52 1.06 0.00 0.00 176.91 180.11 3kvo h MET 122 N 0.02 1.24 0.00 1.72 2.86 -1.23 -2.06 114.93 117.48 3kvo h MET 122 Ca -0.10 -0.15 -0.23 0.00 -2.06 0.00 0.00 59.70 57.16 3kvo h MET 122 Cb 1.45 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 32.83 3kvo h MET 122 CO 0.15 0.91 -1.44 -0.91 1.06 0.00 0.00 176.91 176.68 3kvo h ASN 123 N 1.24 0.00 0.04 1.22 2.35 -0.88 -2.06 115.58 117.48 3kvo h ASN 123 Ca 0.31 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.96 3kvo h ASN 123 Cb 0.04 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 3kvo h ASN 123 CO -0.05 0.86 -0.51 0.58 -1.65 0.00 0.00 177.43 176.65 3kvo h VAL 124 N 0.00 1.51 0.00 2.81 2.07 -1.21 -1.89 116.25 119.54 3kvo h VAL 124 Ca -0.19 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 64.97 3kvo h VAL 124 Cb 1.82 3.08 0.00 0.00 -1.52 0.00 0.00 31.29 34.67 3kvo h VAL 124 CO 0.08 0.58 0.00 0.59 0.02 0.00 0.00 177.57 178.84 3kvo n ASN 125 N -4.42 0.00 0.16 0.57 3.02 -0.78 -3.43 115.26 110.38 3kvo n ASN 125 Ca -0.16 0.47 -0.07 0.00 -0.03 0.00 0.00 54.58 54.78 3kvo n ASN 125 Cb 0.62 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.43 3kvo n ASN 125 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3kvo h THR 126 N 0.00 0.00 -0.19 3.41 2.02 -1.62 -2.02 112.91 114.51 3kvo h THR 126 Ca 0.00 -0.40 0.05 0.00 0.77 0.00 0.00 66.41 66.84 3kvo h THR 126 Cb 0.00 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.35 3kvo h THR 126 CO 0.00 0.00 -0.24 -0.09 0.37 0.00 0.00 175.52 175.56 3kvo h ARG 127 N -0.86 -0.26 -0.97 6.66 2.43 -1.57 0.14 114.38 119.95 3kvo h ARG 127 Ca -0.05 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3kvo h ARG 127 Cb 0.35 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 3kvo h ARG 127 CO 0.08 -0.17 0.64 0.78 -1.51 0.00 0.00 179.97 179.78 3kvo h GLY 128 N -0.27 1.41 1.01 2.80 0.00 -1.36 0.13 103.07 106.78 3kvo h GLY 128 Ca 0.12 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 3kvo h GLY 128 CO -0.34 0.44 0.30 -0.84 0.00 0.00 0.00 176.54 176.09 3kvo h THR 129 N 1.25 1.24 -0.57 4.70 2.02 -1.07 0.10 112.91 120.58 3kvo h THR 129 Ca 0.38 -0.70 -0.07 0.00 0.77 0.00 0.00 66.41 66.79 3kvo h THR 129 Cb -0.04 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 3kvo h THR 129 CO -0.11 0.28 0.09 0.22 0.37 0.00 0.00 175.52 176.37 3kvo h TYR 130 N 0.95 1.00 0.11 3.16 3.20 0.57 -1.73 116.97 124.24 3kvo h TYR 130 Ca 0.23 -0.14 -0.24 0.00 3.14 0.00 0.00 58.73 61.72 3kvo h TYR 130 Cb 0.16 -0.27 0.02 0.00 1.54 0.00 0.00 36.73 38.18 3kvo h TYR 130 CO 0.01 0.88 -1.01 -0.07 -1.64 0.00 0.00 178.16 176.33 3kvo h LEU 131 N 0.83 0.69 -1.12 2.82 3.38 -0.66 -1.02 115.31 120.23 3kvo h LEU 131 Ca 0.17 -0.85 0.04 0.00 0.09 0.00 0.00 57.88 57.33 3kvo h LEU 131 Cb 0.42 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3kvo h LEU 131 CO 0.01 1.48 0.60 0.00 0.09 0.00 0.00 178.44 180.62 3kvo h ALA 132 N 0.22 1.44 -0.19 1.53 0.00 -0.99 -1.42 119.26 119.84 3kvo h ALA 132 Ca -0.16 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3kvo h ALA 132 Cb 1.73 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 3kvo h ALA 132 CO 0.19 0.46 -0.25 0.77 0.00 0.00 0.00 179.25 180.42 3kvo h SER 133 N 1.12 0.56 -0.48 0.00 0.02 -1.15 -2.54 113.55 111.08 3kvo h SER 133 Ca 0.37 -0.51 0.07 0.00 -0.84 0.00 0.00 61.79 60.89 3kvo h SER 133 Cb 0.06 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.38 3kvo h SER 133 CO -0.12 0.95 0.13 0.50 -1.14 0.00 0.00 176.83 177.16 3kvo h LYS 134 N 0.18 0.27 0.00 3.45 3.64 -0.82 -1.52 116.57 121.78 3kvo h LYS 134 Ca 0.02 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3kvo h LYS 134 Cb 0.82 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 3kvo h LYS 134 CO 0.06 0.18 -0.25 0.00 -2.27 0.00 0.00 179.45 177.17 3kvo h ALA 135 N 1.35 1.16 0.00 5.00 0.00 -1.16 -3.10 119.26 122.50 3kvo h ALA 135 Ca 0.23 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3kvo h ALA 135 Cb 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3kvo h ALA 135 CO -0.27 0.31 -1.47 0.00 0.00 0.00 0.00 179.25 177.82 3kvo h ILE 137 N 0.00 1.15 0.00 0.00 2.04 -1.21 -0.01 117.51 119.48 3kvo h ILE 137 Ca -0.09 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 3kvo h ILE 137 Cb 1.26 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3kvo h ILE 137 CO 0.02 0.22 -0.21 -0.65 0.00 0.00 0.00 178.15 177.52 3kvo h PRO 138 N 1.18 0.00 0.02 2.37 0.11 -1.81 -1.86 132.00 132.01 3kvo h PRO 138 Ca 0.38 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.23 3kvo h PRO 138 Cb 0.03 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.10 3kvo h PRO 138 CO -0.12 0.21 -1.36 1.88 -0.21 0.00 0.00 178.00 178.40 3kvo h TYR 139 N 0.00 0.06 -0.41 0.65 0.05 -1.43 -3.31 116.97 112.60 3kvo h TYR 139 Ca -0.00 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.67 3kvo h TYR 139 Cb 0.38 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 3kvo h TYR 139 CO 0.00 1.06 -0.02 -0.07 -1.05 0.00 0.00 178.16 178.08 3kvo h LEU 140 N 0.01 0.63 -2.11 3.88 3.38 -0.83 -2.66 115.31 117.61 3kvo h LEU 140 Ca -0.15 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.69 3kvo h LEU 140 Cb 1.90 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.49 3kvo h LEU 140 CO 0.11 0.71 0.04 0.11 0.09 0.00 0.00 178.44 179.51 3kvo h LYS 141 N 0.62 0.00 0.00 1.13 1.57 -1.42 -1.46 116.57 117.01 3kvo h LYS 141 Ca 0.12 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 3kvo h LYS 141 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3kvo h LYS 141 CO 0.02 0.00 -0.52 0.87 -0.57 0.00 0.00 179.45 179.25 3kvo h LYS 142 N 0.00 0.00 -7.06 3.15 1.57 -1.60 -3.48 116.57 109.15 3kvo h LYS 142 Ca 0.03 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.30 3kvo h LYS 142 Cb 0.12 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.50 3kvo h LYS 142 CO -0.00 0.39 0.46 0.45 -0.57 0.00 0.00 179.45 180.18 3kvo s SER 143 N -6.33 5.82 0.40 0.86 0.15 -0.55 -4.93 113.70 109.12 3kvo s SER 143 Ca 0.04 2.26 0.27 0.00 0.70 0.00 0.00 55.95 59.22 3kvo s SER 143 Cb 0.07 -2.59 0.89 0.00 -1.71 0.00 0.00 66.02 62.68 3kvo s SER 143 CO 0.74 -1.16 1.79 0.11 1.20 0.00 0.00 173.24 175.92 3kvo h LYS 144 N 1.47 0.00 0.00 5.44 6.56 -1.91 -3.38 116.57 124.75 3kvo h LYS 144 Ca -0.50 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.09 3kvo h LYS 144 Cb 1.26 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.92 3kvo h LYS 144 CO 0.58 0.00 -0.36 0.28 -2.06 0.00 0.00 179.45 177.89 3kvo n VAL 145 N -2.79 0.69 -2.69 0.50 0.31 -1.26 -4.89 118.33 108.19 3kvo n VAL 145 Ca 0.03 0.35 -0.07 0.00 -0.01 0.00 0.00 64.34 64.64 3kvo n VAL 145 Cb 0.38 -1.91 0.03 0.00 -0.91 0.00 0.00 33.84 31.43 3kvo n VAL 145 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kvo n ALA 146 N -3.17 -2.02 -2.88 3.52 0.00 -0.69 -4.45 120.51 110.82 3kvo n ALA 146 Ca -0.05 0.06 -0.32 0.00 0.00 0.00 0.00 53.44 53.13 3kvo n ALA 146 Cb 0.19 -3.10 -0.16 0.00 0.00 0.00 0.00 19.45 16.38 3kvo n ALA 146 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3kvo s HIS 147 N -3.18 2.60 -0.18 0.00 3.76 -0.84 -0.35 115.29 117.10 3kvo s HIS 147 Ca 0.21 -0.68 -0.05 0.00 -0.15 0.00 0.00 55.06 54.39 3kvo s HIS 147 Cb -0.03 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.95 3kvo s HIS 147 CO 0.53 -0.19 -0.01 0.42 -0.85 0.00 0.00 174.74 174.63 3kvo s ILE 148 N -0.02 3.96 -0.16 0.60 1.01 0.55 -0.29 121.20 126.86 3kvo s ILE 148 Ca -0.06 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.28 3kvo s ILE 148 Cb -0.15 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.57 3kvo s ILE 148 CO 0.05 0.46 -0.18 -0.22 0.00 0.00 0.00 174.94 175.05 3kvo s LEU 149 N 0.72 1.93 -0.22 2.97 2.96 0.09 -1.95 118.68 125.19 3kvo s LEU 149 Ca -0.01 -0.57 -0.08 0.00 -0.22 0.00 0.00 54.13 53.25 3kvo s LEU 149 Cb -0.14 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 3kvo s LEU 149 CO 0.02 -0.02 0.09 0.20 -1.32 0.00 0.00 176.35 175.32 3kvo s ASN 150 N 1.32 5.56 -1.19 3.68 0.01 -0.35 -0.77 114.94 123.20 3kvo s ASN 150 Ca 0.04 -0.02 -0.18 0.00 -0.71 0.00 0.00 52.86 51.98 3kvo s ASN 150 Cb -0.13 -1.98 0.10 0.00 0.41 0.00 0.00 41.25 39.64 3kvo s ASN 150 CO -0.11 0.07 1.55 -0.63 -1.51 0.00 0.00 177.10 176.47 3kvo s ILE 151 N 1.01 4.35 0.14 0.60 -1.09 -1.02 -0.48 121.20 124.71 3kvo s ILE 151 Ca 0.05 -1.82 -0.15 0.00 -2.23 0.00 0.00 60.65 56.49 3kvo s ILE 151 Cb -0.14 -5.06 0.03 0.00 -1.58 0.00 0.00 42.46 35.71 3kvo s ILE 151 CO 0.03 -1.87 0.41 -0.94 -1.23 0.00 0.00 174.94 171.34 3kvo s SER 152 N 4.00 -0.20 0.45 3.58 1.04 -1.10 -4.92 113.70 116.54 3kvo s SER 152 Ca 0.48 -0.41 0.03 0.00 0.48 0.00 0.00 55.95 56.53 3kvo s SER 152 Cb 0.01 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.62 3kvo s SER 152 CO 0.01 -0.89 0.64 -2.16 0.98 0.00 0.00 173.24 171.81 3kvo s PRO 153 N -3.83 2.89 0.78 4.02 0.04 -1.26 -3.63 135.00 134.00 3kvo s PRO 153 Ca 0.06 -0.81 -0.14 0.00 0.04 0.00 0.00 61.00 60.15 3kvo s PRO 153 Cb 0.02 -2.63 0.06 0.00 0.04 0.00 0.00 34.50 31.98 3kvo s PRO 153 CO -0.09 -0.32 1.17 -2.30 0.04 0.00 0.00 177.00 175.50 3kvo n PRO 154 N -2.02 0.35 -2.68 0.56 -0.02 -1.26 -4.78 135.00 125.15 3kvo n PRO 154 Ca 0.04 0.19 -0.43 0.00 -2.02 0.00 0.00 63.50 61.27 3kvo n PRO 154 Cb 0.59 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3kvo n PRO 154 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kvo n LEU 155 N -2.82 5.64 -4.54 2.45 4.77 -1.26 -4.96 117.00 116.28 3kvo n LEU 155 Ca 0.14 -4.42 -0.43 0.00 -0.03 0.00 0.00 56.01 51.27 3kvo n LEU 155 Cb 0.50 -1.60 -0.04 0.00 -2.33 0.00 0.00 43.42 39.94 3kvo n LEU 155 CO 0.48 0.84 0.70 0.21 -1.33 0.00 0.00 177.39 178.29 3kvo s ASN 156 N 2.52 6.42 -0.05 -1.43 3.84 -1.26 -4.92 114.94 120.06 3kvo s ASN 156 Ca 0.44 -0.10 0.11 0.00 0.21 0.00 0.00 52.86 53.52 3kvo s ASN 156 Cb 0.02 -2.43 0.40 0.00 -0.55 0.00 0.00 41.25 38.69 3kvo s ASN 156 CO 0.01 -1.07 1.27 0.18 -2.79 0.00 0.00 177.10 174.70 3kvo n LEU 157 N 7.13 2.72 -4.68 3.21 4.77 -1.26 -4.89 117.00 124.00 3kvo n LEU 157 Ca 0.04 -1.37 -0.47 0.00 -0.03 0.00 0.00 56.01 54.18 3kvo n LEU 157 Cb 0.48 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3kvo n LEU 157 CO 0.62 0.52 1.41 -3.20 -1.33 0.00 0.00 177.39 175.42 3kvo n ASN 158 N 0.59 3.45 0.24 -1.43 2.85 -1.26 -4.85 115.26 114.85 3kvo n ASN 158 Ca 0.14 1.00 0.18 0.00 -0.11 0.00 0.00 54.58 55.79 3kvo n ASN 158 Cb 0.50 -1.41 0.88 0.00 1.24 0.00 0.00 39.78 40.99 3kvo n ASN 158 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3kvo h PRO 159 N 8.24 0.00 -0.98 1.20 0.11 -2.01 -2.54 132.00 136.02 3kvo h PRO 159 Ca -0.47 0.00 0.26 0.00 0.11 0.00 0.00 66.00 65.90 3kvo h PRO 159 Cb 1.26 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.24 3kvo h PRO 159 CO 0.93 0.00 0.54 0.28 -0.21 0.00 0.00 178.00 179.54 3kvo h VAL 160 N 0.00 0.45 0.00 3.15 2.07 -1.97 -0.74 116.25 119.21 3kvo h VAL 160 Ca 0.06 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3kvo h VAL 160 Cb 0.43 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3kvo h VAL 160 CO -0.00 0.08 0.00 0.79 0.02 0.00 0.00 177.57 178.46 3kvo n TRP 161 N -4.97 0.00 0.02 1.57 7.02 -0.96 -3.58 117.44 116.54 3kvo n TRP 161 Ca 0.27 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.81 3kvo n TRP 161 Cb 0.80 -0.32 -0.08 0.00 -2.42 0.00 0.00 31.31 29.29 3kvo n TRP 161 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3kvo n PHE 162 N -1.32 0.00 -0.19 -5.99 3.72 -0.35 -4.67 117.46 108.66 3kvo n PHE 162 Ca 0.13 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.47 3kvo n PHE 162 Cb 0.25 -0.23 0.03 0.00 -0.94 0.00 0.00 39.48 38.59 3kvo n PHE 162 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3kvo h LYS 163 N 0.00 0.72 -6.24 -1.08 3.64 -1.43 -3.28 116.57 108.92 3kvo h LYS 163 Ca 0.00 -0.04 -0.66 0.00 -1.27 0.00 0.00 60.65 58.67 3kvo h LYS 163 Cb 0.48 -0.16 -0.14 0.00 -0.41 0.00 0.00 32.23 32.00 3kvo h LYS 163 CO 0.00 0.48 -0.66 -0.65 -2.27 0.00 0.00 179.45 176.35 3kvo s GLN 164 N -6.15 2.67 -1.37 1.90 -0.21 -1.26 -4.71 119.66 110.52 3kvo s GLN 164 Ca -0.13 -0.70 -0.02 0.00 0.02 0.00 0.00 55.36 54.53 3kvo s GLN 164 Cb 0.13 -2.60 0.02 0.00 1.00 0.00 0.00 33.01 31.55 3kvo s GLN 164 CO 0.75 0.60 0.67 -2.39 -2.12 0.00 0.00 175.29 172.80 3kvo n HIS 165 N 1.21 -1.90 -0.29 0.91 1.44 -1.22 -4.88 115.22 110.49 3kvo n HIS 165 Ca -0.14 0.83 -0.05 0.00 -2.01 0.00 0.00 57.72 56.35 3kvo n HIS 165 Cb 0.52 -4.15 0.07 0.00 0.12 0.00 0.00 29.99 26.55 3kvo n HIS 165 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3kvo h ALA 167 N 1.23 0.60 -0.33 0.00 0.00 -1.90 -0.40 119.26 118.45 3kvo h ALA 167 Ca 0.28 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3kvo h ALA 167 Cb 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kvo h ALA 167 CO -0.05 0.05 -0.05 -0.92 0.00 0.00 0.00 179.25 178.28 3kvo h TYR 168 N 0.64 0.69 -0.40 0.00 3.20 -1.75 -1.07 116.97 118.29 3kvo h TYR 168 Ca 0.17 -0.14 0.05 0.00 3.14 0.00 0.00 58.73 61.95 3kvo h TYR 168 Cb -0.07 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 37.99 3kvo h TYR 168 CO -0.04 0.77 0.15 1.15 -1.64 0.00 0.00 178.16 178.55 3kvo h THR 169 N 0.41 0.89 -0.72 1.81 2.02 -0.95 -1.15 112.91 115.22 3kvo h THR 169 Ca 0.09 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 3kvo h THR 169 Cb 0.53 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 3kvo h THR 169 CO 0.03 0.06 0.24 0.40 0.37 0.00 0.00 175.52 176.62 3kvo h ILE 170 N 0.31 1.26 -0.22 3.11 2.04 -0.94 0.19 117.51 123.26 3kvo h ILE 170 Ca 0.18 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3kvo h ILE 170 Cb 0.16 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3kvo h ILE 170 CO -0.18 0.34 0.14 0.00 0.00 0.00 0.00 178.15 178.45 3kvo h ALA 171 N 1.12 0.27 -0.29 1.87 0.00 -0.98 -1.11 119.26 120.14 3kvo h ALA 171 Ca 0.23 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 3kvo h ALA 171 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kvo h ALA 171 CO -0.01 -0.25 -0.45 0.87 0.00 0.00 0.00 179.25 179.41 3kvo h LYS 172 N 0.29 0.75 -0.02 0.00 1.79 -0.94 -3.12 116.57 115.33 3kvo h LYS 172 Ca 0.08 -0.42 -0.07 0.00 -2.18 0.00 0.00 60.65 58.06 3kvo h LYS 172 Cb -0.03 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 3kvo h LYS 172 CO -0.02 1.05 -0.30 1.88 -1.08 0.00 0.00 179.45 180.98 3kvo h TYR 173 N 0.60 0.03 -0.39 -1.35 0.99 -0.40 -2.56 116.97 113.89 3kvo h TYR 173 Ca 0.04 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 3kvo h TYR 173 Cb 1.01 -0.01 -0.02 0.00 1.00 0.00 0.00 36.73 38.72 3kvo h TYR 173 CO 0.05 0.33 0.20 0.78 -0.00 0.00 0.00 178.16 179.52 3kvo h GLY 174 N 0.94 0.59 0.28 3.88 0.00 -1.14 0.36 103.07 107.97 3kvo h GLY 174 Ca 0.00 -0.28 0.18 0.00 0.00 0.00 0.00 47.33 47.23 3kvo h GLY 174 CO 0.04 0.27 0.60 -0.33 0.00 0.00 0.00 176.54 177.12 3kvo h MET 175 N 0.49 0.62 0.00 4.80 2.86 -1.48 -1.11 114.93 121.11 3kvo h MET 175 Ca 0.13 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.57 3kvo h MET 175 Cb 0.09 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3kvo h MET 175 CO -0.02 0.41 -0.81 0.77 1.06 0.00 0.00 176.91 178.32 3kvo h SER 176 N 0.64 0.00 0.53 1.22 0.02 -0.91 -3.08 113.55 111.97 3kvo h SER 176 Ca 0.51 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.37 3kvo h SER 176 Cb 0.94 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 3kvo h SER 176 CO -0.27 0.75 -0.45 0.24 -1.14 0.00 0.00 176.83 175.97 3kvo h MET 177 N 0.00 0.00 0.00 3.45 2.86 0.63 -2.52 114.93 119.35 3kvo h MET 177 Ca -0.02 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 3kvo h MET 177 Cb 1.59 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.25 3kvo h MET 177 CO 0.09 0.45 -0.27 1.88 1.06 0.00 0.00 176.91 180.13 3kvo h TYR 178 N 0.00 0.00 0.30 -0.22 0.05 -1.15 -2.59 116.97 113.36 3kvo h TYR 178 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 3kvo h TYR 178 Cb 0.84 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.58 3kvo h TYR 178 CO 0.00 0.27 -0.15 0.28 -1.05 0.00 0.00 178.16 177.51 3kvo h VAL 179 N 0.00 0.73 -0.77 -2.88 2.07 -1.47 0.31 116.25 114.24 3kvo h VAL 179 Ca -0.00 -0.32 0.18 0.00 0.82 0.00 0.00 66.70 67.37 3kvo h VAL 179 Cb 0.63 0.91 -0.12 0.00 -1.52 0.00 0.00 31.29 31.19 3kvo h VAL 179 CO 0.03 0.07 0.15 -0.07 0.02 0.00 0.00 177.57 177.78 3kvo h LEU 180 N -0.58 -0.07 0.00 2.57 3.38 -1.32 -1.05 115.31 118.24 3kvo h LEU 180 Ca -0.04 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3kvo h LEU 180 Cb 0.42 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3kvo h LEU 180 CO 0.07 -0.09 -0.08 1.23 0.09 0.00 0.00 178.44 179.66 3kvo h GLY 181 N 0.22 0.00 1.70 0.83 0.00 -1.34 -3.33 103.07 101.16 3kvo h GLY 181 Ca 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.64 3kvo h GLY 181 CO -0.57 0.00 -0.49 -0.33 0.00 0.00 0.00 176.54 175.15 3kvo h MET 182 N -1.00 0.32 -0.77 4.80 2.86 -0.24 -1.15 114.93 119.74 3kvo h MET 182 Ca -0.02 -0.18 0.09 0.00 -2.06 0.00 0.00 59.70 57.53 3kvo h MET 182 Cb 0.97 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.59 3kvo h MET 182 CO -0.01 0.74 0.51 0.00 1.06 0.00 0.00 176.91 179.20 3kvo h ALA 183 N 1.23 1.78 0.16 6.32 0.00 -1.34 -0.13 119.26 127.28 3kvo h ALA 183 Ca 0.01 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 3kvo h ALA 183 Cb 0.96 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.59 3kvo h ALA 183 CO 0.08 0.06 -1.49 0.93 0.00 0.00 0.00 179.25 178.83 3kvo h GLU 184 N 0.70 0.34 -0.71 0.00 4.39 -1.56 -3.05 114.58 114.69 3kvo h GLU 184 Ca 0.35 -0.59 0.05 0.00 0.34 0.00 0.00 59.36 59.52 3kvo h GLU 184 Cb 0.44 0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 29.27 3kvo h GLU 184 CO -0.13 1.24 0.47 1.49 -1.16 0.00 0.00 179.01 180.92 3kvo h GLU 185 N 0.09 0.78 -0.37 2.33 4.81 -0.11 -2.86 114.58 119.25 3kvo h GLU 185 Ca -0.24 -0.05 -0.27 0.00 -0.13 0.00 0.00 59.36 58.67 3kvo h GLU 185 Cb 2.06 -0.18 -0.23 0.00 0.63 0.00 0.00 28.75 31.03 3kvo h GLU 185 CO 0.20 0.52 -0.69 1.19 -0.73 0.00 0.00 179.01 179.50 3kvo n PHE 186 N -4.47 1.34 -1.81 0.92 3.72 -0.17 -5.04 117.46 111.96 3kvo n PHE 186 Ca 0.10 -1.83 -0.42 0.00 -0.05 0.00 0.00 57.45 55.25 3kvo n PHE 186 Cb 0.18 -0.29 -0.03 0.00 -0.94 0.00 0.00 39.48 38.40 3kvo n PHE 186 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3kvo s LYS 187 N -3.33 4.15 0.00 -1.08 2.20 -1.08 -0.65 119.74 119.95 3kvo s LYS 187 Ca 0.44 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.57 3kvo s LYS 187 Cb 0.39 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 3kvo s LYS 187 CO -0.02 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 174.70 3kvo n GLY 188 N 3.50 2.95 0.20 5.54 0.00 -1.26 -4.76 105.19 111.35 3kvo n GLY 188 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 3kvo n GLY 188 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kvo n GLU 189 N -2.00 0.55 -3.73 1.61 1.02 -0.44 -4.98 120.64 112.67 3kvo n GLU 189 Ca 0.00 0.21 -0.14 0.00 -0.02 0.00 0.00 57.16 57.21 3kvo n GLU 189 Cb 0.00 -1.42 -0.15 0.00 -0.02 0.00 0.00 31.44 29.86 3kvo n GLU 189 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3kvo s ILE 190 N -2.47 -0.10 0.05 -3.67 1.01 0.17 -4.69 121.20 111.51 3kvo s ILE 190 Ca -0.35 0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 3kvo s ILE 190 Cb 0.12 -0.26 -0.05 0.00 0.01 0.00 0.00 42.46 42.29 3kvo s ILE 190 CO 0.47 0.09 1.10 0.00 0.00 0.00 0.00 174.94 176.60 3kvo s ALA 191 N 1.44 3.30 -0.12 9.38 0.00 0.52 -4.55 121.76 131.73 3kvo s ALA 191 Ca -0.06 0.72 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 3kvo s ALA 191 Cb -0.12 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.64 3kvo s ALA 191 CO -0.06 -0.33 -0.04 0.08 0.00 0.00 0.00 175.76 175.41 3kvo s VAL 192 N 0.93 0.81 0.13 0.00 1.01 -1.26 -0.33 120.40 121.68 3kvo s VAL 192 Ca 0.55 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 3kvo s VAL 192 Cb -0.26 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3kvo s VAL 192 CO 0.29 0.25 0.10 0.20 0.00 0.00 0.00 175.10 175.94 3kvo s ASN 193 N 1.79 0.27 0.12 3.32 0.01 -0.82 -0.50 114.94 119.12 3kvo s ASN 193 Ca 0.04 -1.10 0.08 0.00 -0.71 0.00 0.00 52.86 51.17 3kvo s ASN 193 Cb -0.13 0.31 -0.04 0.00 0.41 0.00 0.00 41.25 41.80 3kvo s ASN 193 CO -0.07 -0.75 -0.10 0.00 -1.51 0.00 0.00 177.10 174.67 3kvo s ALA 194 N -4.01 2.94 -0.07 0.60 0.00 0.60 -1.21 121.76 120.61 3kvo s ALA 194 Ca 0.20 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.88 3kvo s ALA 194 Cb 0.07 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.35 3kvo s ALA 194 CO -0.00 0.61 -0.08 -1.17 0.00 0.00 0.00 175.76 175.11 3kvo s LEU 195 N -2.32 1.42 -0.01 0.00 2.96 0.36 -0.28 118.68 120.81 3kvo s LEU 195 Ca 0.22 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 3kvo s LEU 195 Cb -0.11 -0.68 -0.01 0.00 0.50 0.00 0.00 46.19 45.89 3kvo s LEU 195 CO 0.14 -0.03 -0.11 0.86 -1.32 0.00 0.00 176.35 175.89 3kvo s TRP 196 N 0.97 0.99 0.17 5.38 -0.11 0.66 -2.73 118.94 124.28 3kvo s TRP 196 Ca -0.10 -0.21 -0.30 0.00 1.22 0.00 0.00 56.10 56.72 3kvo s TRP 196 Cb -0.15 -0.66 -0.08 0.00 -1.50 0.00 0.00 33.47 31.09 3kvo s TRP 196 CO 0.00 -0.04 1.13 -1.25 -4.62 0.00 0.00 176.95 172.17 3kvo s PRO 197 N -0.12 4.56 0.25 5.86 0.04 -1.26 -1.54 135.00 142.78 3kvo s PRO 197 Ca 0.02 1.76 -0.05 0.00 0.04 0.00 0.00 61.00 62.77 3kvo s PRO 197 Cb -0.06 -3.27 0.26 0.00 0.04 0.00 0.00 34.50 31.47 3kvo s PRO 197 CO -0.00 0.01 1.85 -0.22 0.04 0.00 0.00 177.00 178.68 3kvo h LYS 198 N 5.24 1.16 -5.29 4.56 3.64 -1.96 -3.41 116.57 120.51 3kvo h LYS 198 Ca -0.44 -0.16 -0.67 0.00 -1.27 0.00 0.00 60.65 58.11 3kvo h LYS 198 Cb 1.21 -0.22 -0.12 0.00 -0.41 0.00 0.00 32.23 32.69 3kvo h LYS 198 CO 0.73 0.88 -0.50 0.95 -2.27 0.00 0.00 179.45 179.24 3kvo s THR 199 N -5.69 1.25 0.58 1.00 -4.23 -1.26 -1.44 115.64 105.86 3kvo s THR 199 Ca -0.12 -1.96 -0.19 0.00 -1.18 0.00 0.00 61.69 58.25 3kvo s THR 199 Cb 0.17 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 3kvo s THR 199 CO 0.82 0.00 1.18 0.00 -0.54 0.00 0.00 174.62 176.09 3kvo s ALA 200 N -2.86 2.57 -0.06 3.99 0.00 -0.20 -4.45 121.76 120.75 3kvo s ALA 200 Ca 0.10 0.94 0.05 0.00 0.00 0.00 0.00 51.96 53.05 3kvo s ALA 200 Cb 0.02 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 3kvo s ALA 200 CO 0.05 -1.08 -0.20 0.42 0.00 0.00 0.00 175.76 174.95 3kvo s ILE 201 N -1.68 2.51 -0.64 0.00 -1.09 -1.26 -1.67 121.20 117.38 3kvo s ILE 201 Ca 0.76 -0.91 -0.27 0.00 -2.23 0.00 0.00 60.65 58.00 3kvo s ILE 201 Cb -0.28 -1.95 -0.00 0.00 -1.58 0.00 0.00 42.46 38.64 3kvo s ILE 201 CO 0.32 0.57 1.64 -2.28 -1.23 0.00 0.00 174.94 173.97 3kvo s HIS 202 N -0.37 1.90 0.19 3.97 5.65 -0.02 -4.67 115.29 121.94 3kvo s HIS 202 Ca 0.03 0.50 0.00 0.00 0.25 0.00 0.00 55.06 55.85 3kvo s HIS 202 Cb -0.12 -4.28 -0.04 0.00 -1.18 0.00 0.00 32.58 26.95 3kvo s HIS 202 CO 0.02 -2.23 0.06 0.95 -0.65 0.00 0.00 174.74 172.90 3kvo s THR 203 N 7.76 0.37 0.21 0.89 -4.23 -1.26 -4.46 115.64 114.92 3kvo s THR 203 Ca 0.56 -1.97 0.11 0.00 -1.18 0.00 0.00 61.69 59.22 3kvo s THR 203 Cb -0.11 -2.30 -0.03 0.00 1.34 0.00 0.00 72.50 71.39 3kvo s THR 203 CO 0.20 -0.27 1.56 0.00 -0.54 0.00 0.00 174.62 175.57 3kvo h ALA 204 N 2.65 0.85 -0.66 3.99 0.00 -2.00 -1.79 119.26 122.30 3kvo h ALA 204 Ca -0.37 -0.59 0.05 0.00 0.00 0.00 0.00 54.91 54.00 3kvo h ALA 204 Cb 1.22 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3kvo h ALA 204 CO 0.59 0.81 0.38 0.00 0.00 0.00 0.00 179.25 181.04 3kvo h ALA 205 N 1.35 0.87 -0.53 0.00 0.00 -1.96 -1.40 119.26 117.58 3kvo h ALA 205 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3kvo h ALA 205 Cb 1.21 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3kvo h ALA 205 CO 0.08 0.09 0.22 1.98 0.00 0.00 0.00 179.25 181.63 3kvo h MET 206 N 0.72 0.76 -0.36 0.00 -1.53 -1.61 -1.73 114.93 111.18 3kvo h MET 206 Ca 0.28 -0.11 -0.07 0.00 -3.44 0.00 0.00 59.70 56.37 3kvo h MET 206 Cb 0.12 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 31.01 3kvo h MET 206 CO -0.15 0.62 -0.07 -0.44 0.14 0.00 0.00 176.91 177.01 3kvo h ASP 207 N 0.76 0.58 -0.51 1.39 5.19 -1.05 0.28 116.42 123.05 3kvo h ASP 207 Ca 0.18 -0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 3kvo h ASP 207 Cb 0.13 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 3kvo h ASP 207 CO -0.02 0.69 0.26 -0.03 -3.12 0.00 0.00 179.24 177.03 3kvo h MET 208 N 0.56 0.72 0.02 3.56 4.05 -0.57 -1.94 114.93 121.34 3kvo h MET 208 Ca 0.11 -0.10 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 3kvo h MET 208 Cb 0.46 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 3kvo h MET 208 CO 0.02 0.58 -0.01 1.25 0.23 0.00 0.00 176.91 178.98 3kvo h LEU 209 N 0.68 -0.03 0.00 3.39 5.85 -0.87 -3.37 115.31 120.96 3kvo h LEU 209 Ca 0.18 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3kvo h LEU 209 Cb 0.08 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3kvo h LEU 209 CO -0.03 0.65 -0.88 0.61 -0.34 0.00 0.00 178.44 178.46 3kvo n GLY 210 N 0.79 -1.39 2.04 3.75 0.00 0.94 -5.07 105.19 106.24 3kvo n GLY 210 Ca -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3kvo n GLY 210 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kvo n GLY 211 N 1.28 -1.80 3.76 -0.02 0.00 -0.73 -4.67 105.19 103.01 3kvo n GLY 211 Ca 0.02 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 3kvo n GLY 211 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kvo s PRO 212 N 0.00 4.43 -1.48 1.61 0.04 -1.26 -2.92 135.00 135.42 3kvo s PRO 212 Ca 0.00 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.12 3kvo s PRO 212 Cb 0.00 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.41 3kvo s PRO 212 CO 0.00 -0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.34 3kvo n GLY 213 N 1.28 1.44 0.24 0.56 0.00 -1.26 -4.85 105.19 102.59 3kvo n GLY 213 Ca 0.01 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.84 3kvo n GLY 213 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kvo h ILE 214 N 0.00 0.49 -0.92 -0.61 6.09 -1.80 -3.14 117.51 117.62 3kvo h ILE 214 Ca -0.29 -0.92 0.19 0.00 -1.37 0.00 0.00 64.86 62.47 3kvo h ILE 214 Cb 0.95 1.64 -0.08 0.00 0.47 0.00 0.00 36.82 39.81 3kvo h ILE 214 CO 0.42 0.18 0.60 1.05 -3.07 0.00 0.00 178.15 177.32 3kvo h GLU 215 N 0.00 0.51 0.00 2.19 4.11 -1.89 0.91 114.58 120.41 3kvo h GLU 215 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 3kvo h GLU 215 Cb 0.62 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3kvo h GLU 215 CO 0.02 0.34 0.00 0.66 0.07 0.00 0.00 179.01 180.10 3kvo h SER 216 N 0.53 0.00 -0.25 3.06 4.64 -1.95 -1.34 113.55 118.24 3kvo h SER 216 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3kvo h SER 216 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3kvo h SER 216 CO -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.74 3kvo n GLN 217 N -3.03 1.98 -3.76 4.77 3.00 0.31 -4.38 117.38 116.27 3kvo n GLN 217 Ca -0.01 -1.48 -0.23 0.00 -0.01 0.00 0.00 57.00 55.27 3kvo n GLN 217 Cb 0.21 -1.42 -0.03 0.00 0.00 0.00 0.00 30.24 28.99 3kvo n GLN 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3kvo s ARG 219 N -4.14 2.47 0.61 0.00 0.52 -0.67 -2.45 118.95 115.28 3kvo s ARG 219 Ca 0.43 -1.46 -0.17 0.00 -0.52 0.00 0.00 55.73 54.02 3kvo s ARG 219 Cb -0.01 -2.26 -0.03 0.00 0.52 0.00 0.00 34.95 33.17 3kvo s ARG 219 CO 0.25 0.15 1.10 0.15 0.02 0.00 0.00 175.30 176.97 3kvo s LYS 220 N -3.86 3.11 0.57 3.54 1.02 0.16 -0.84 119.74 123.44 3kvo s LYS 220 Ca 0.37 1.41 0.28 0.00 0.02 0.00 0.00 55.97 58.05 3kvo s LYS 220 Cb -0.04 -1.99 1.50 0.00 -0.52 0.00 0.00 37.83 36.78 3kvo s LYS 220 CO 0.23 -1.01 1.98 -0.39 -0.92 0.00 0.00 175.35 175.24 3kvo h VAL 221 N 0.50 0.52 -0.50 3.17 -1.51 -1.90 -2.50 116.25 114.04 3kvo h VAL 221 Ca -0.48 0.00 0.14 0.00 -1.23 0.00 0.00 66.70 65.14 3kvo h VAL 221 Cb 1.24 0.71 -0.02 0.00 -2.13 0.00 0.00 31.29 31.10 3kvo h VAL 221 CO 0.56 0.00 0.36 0.44 -1.23 0.00 0.00 177.57 177.69 3kvo h ASP 222 N 0.00 0.00 -0.22 4.19 3.45 -1.93 -1.70 116.42 120.21 3kvo h ASP 222 Ca 0.20 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.50 3kvo h ASP 222 Cb 0.96 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.73 3kvo h ASP 222 CO -0.00 0.00 -0.48 -0.29 -1.57 0.00 0.00 179.24 176.90 3kvo h ILE 223 N 0.00 1.29 -0.08 0.35 2.10 -1.78 -0.52 117.51 118.87 3kvo h ILE 223 Ca 0.24 -1.67 -0.15 0.00 1.08 0.00 0.00 64.86 64.36 3kvo h ILE 223 Cb 0.95 1.57 0.01 0.00 -1.09 0.00 0.00 36.82 38.25 3kvo h ILE 223 CO -0.00 0.54 -0.52 0.40 -1.08 0.00 0.00 178.15 177.49 3kvo h ILE 224 N 0.62 1.38 -0.68 2.19 1.08 -1.53 -2.03 117.51 118.55 3kvo h ILE 224 Ca 0.03 -1.88 0.11 0.00 -0.39 0.00 0.00 64.86 62.73 3kvo h ILE 224 Cb 1.05 2.30 -0.08 0.00 -3.07 0.00 0.00 36.82 37.02 3kvo h ILE 224 CO 0.10 0.56 0.27 0.00 -0.69 0.00 0.00 178.15 178.39 3kvo h ALA 225 N 0.43 0.91 -0.09 1.87 0.00 -1.37 0.34 119.26 121.36 3kvo h ALA 225 Ca -0.04 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3kvo h ALA 225 Cb 1.18 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3kvo h ALA 225 CO 0.11 -0.18 -0.54 -0.44 0.00 0.00 0.00 179.25 178.19 3kvo h ASP 226 N 0.44 0.28 -0.26 0.00 3.32 -1.05 -1.01 116.42 118.14 3kvo h ASP 226 Ca 0.35 -0.15 -0.18 0.00 0.02 0.00 0.00 57.03 57.08 3kvo h ASP 226 Cb 0.47 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3kvo h ASP 226 CO -0.34 0.77 -0.53 0.00 -1.72 0.00 0.00 179.24 177.41 3kvo h ALA 227 N 1.24 0.41 -0.31 3.45 0.00 -0.89 -2.37 119.26 120.79 3kvo h ALA 227 Ca 0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3kvo h ALA 227 Cb 1.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3kvo h ALA 227 CO 0.08 0.61 0.19 0.00 0.00 0.00 0.00 179.25 180.14 3kvo h ALA 228 N 0.65 0.39 -0.93 0.00 0.00 -0.84 -1.90 119.26 116.64 3kvo h ALA 228 Ca 0.01 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.98 3kvo h ALA 228 Cb 1.14 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 3kvo h ALA 228 CO 0.12 -0.12 0.56 -0.92 0.00 0.00 0.00 179.25 178.89 3kvo h TYR 229 N 0.40 1.01 -0.04 0.00 3.20 -1.16 -0.21 116.97 120.18 3kvo h TYR 229 Ca 0.11 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 3kvo h TYR 229 Cb -0.00 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 37.95 3kvo h TYR 229 CO -0.04 0.40 -0.00 0.77 -1.64 0.00 0.00 178.16 177.65 3kvo h SER 230 N 0.90 0.07 -0.98 -2.11 0.02 -1.13 -2.89 113.55 107.43 3kvo h SER 230 Ca 0.46 -0.31 0.13 0.00 -0.84 0.00 0.00 61.79 61.22 3kvo h SER 230 Cb 0.44 -0.02 -0.09 0.00 0.14 0.00 0.00 62.40 62.88 3kvo h SER 230 CO -0.26 0.37 0.60 0.40 -1.14 0.00 0.00 176.83 176.80 3kvo h ILE 231 N -0.23 0.88 -0.51 3.27 2.04 -0.55 -1.36 117.51 121.04 3kvo h ILE 231 Ca 0.01 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.60 3kvo h ILE 231 Cb 0.33 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 3kvo h ILE 231 CO 0.00 0.17 0.34 -0.26 0.00 0.00 0.00 178.15 178.40 3kvo h PHE 232 N 0.92 0.52 -0.02 1.37 0.04 -0.86 -0.54 116.94 118.37 3kvo h PHE 232 Ca 0.50 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.28 3kvo h PHE 232 Cb 0.55 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.52 3kvo h PHE 232 CO -0.01 0.30 0.00 1.04 -0.60 0.00 0.00 178.31 179.03 3kvo n GLN 233 N -4.47 1.33 -2.41 1.51 6.02 -0.52 -4.84 117.38 114.00 3kvo n GLN 233 Ca 0.06 -0.48 -0.31 0.00 -0.01 0.00 0.00 57.00 56.25 3kvo n GLN 233 Cb 0.18 -1.45 -0.03 0.00 1.02 0.00 0.00 30.24 29.96 3kvo n GLN 233 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3kvo s LYS 234 N -1.98 3.86 0.73 -1.09 -0.14 -0.21 -5.06 119.74 115.84 3kvo s LYS 234 Ca 0.40 0.82 -0.12 0.00 -1.36 0.00 0.00 55.97 55.71 3kvo s LYS 234 Cb 0.20 -2.18 0.03 0.00 -1.68 0.00 0.00 37.83 34.20 3kvo s LYS 234 CO 0.33 -0.27 1.11 -1.25 -0.76 0.00 0.00 175.35 174.50 3kvo s PRO 235 N -4.21 2.67 0.60 -1.68 0.04 -1.26 -4.92 135.00 126.24 3kvo s PRO 235 Ca 0.57 0.45 0.30 0.00 0.04 0.00 0.00 61.00 62.35 3kvo s PRO 235 Cb -0.10 -2.00 1.66 0.00 0.04 0.00 0.00 34.50 34.10 3kvo s PRO 235 CO 0.35 -1.16 2.06 0.87 0.04 0.00 0.00 177.00 179.15 3kvo h LYS 236 N -0.75 0.00 0.00 4.56 1.57 -1.89 0.63 116.57 120.69 3kvo h LYS 236 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3kvo h LYS 236 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3kvo h LYS 236 CO 0.63 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.38 3kvo n SER 237 N -3.66 0.50 -4.52 0.86 3.41 -1.26 -3.81 113.62 105.14 3kvo n SER 237 Ca 0.02 0.62 -0.42 0.00 -0.26 0.00 0.00 58.87 58.84 3kvo n SER 237 Cb 0.38 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.57 3kvo n SER 237 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3kvo s PHE 238 N -3.23 2.48 -0.03 7.33 5.36 0.21 -4.94 117.98 125.16 3kvo s PHE 238 Ca 0.05 -0.39 -0.25 0.00 -0.96 0.00 0.00 56.93 55.38 3kvo s PHE 238 Cb 0.09 -4.53 0.05 0.00 -0.34 0.00 0.00 43.02 38.30 3kvo s PHE 238 CO 0.37 -1.90 0.55 -0.08 -1.46 0.00 0.00 175.22 172.70 3kvo s THR 239 N 4.97 0.02 -0.10 0.12 -1.32 -1.26 -4.36 115.64 113.71 3kvo s THR 239 Ca 0.33 -0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.64 3kvo s THR 239 Cb -0.09 -0.89 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 3kvo s THR 239 CO 0.08 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 3kvo n GLY 240 N 0.95 0.38 3.57 6.08 0.00 0.35 -4.95 105.19 111.57 3kvo n GLY 240 Ca -0.20 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 3kvo n GLY 240 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kvo s ASN 241 N -2.97 4.46 -0.67 1.61 0.01 -1.26 -4.94 114.94 111.18 3kvo s ASN 241 Ca 0.00 -0.23 0.01 0.00 -0.71 0.00 0.00 52.86 51.92 3kvo s ASN 241 Cb 0.00 -0.96 0.17 0.00 0.41 0.00 0.00 41.25 40.86 3kvo s ASN 241 CO 0.00 0.26 0.47 -0.36 -1.51 0.00 0.00 177.10 175.96 3kvo s PHE 242 N -1.03 3.47 0.31 2.20 0.08 -1.26 -0.29 117.98 121.46 3kvo s PHE 242 Ca 0.18 -3.03 -0.24 0.00 0.12 0.00 0.00 56.93 53.95 3kvo s PHE 242 Cb -0.11 -3.01 -0.10 0.00 -0.57 0.00 0.00 43.02 39.24 3kvo s PHE 242 CO 0.09 -0.73 0.89 0.08 -0.10 0.00 0.00 175.22 175.45 3kvo s VAL 243 N -0.68 4.31 -0.15 -0.44 1.01 0.62 -4.74 120.40 120.33 3kvo s VAL 243 Ca 0.21 1.67 -0.03 0.00 0.00 0.00 0.00 61.98 63.83 3kvo s VAL 243 Cb -0.16 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 3kvo s VAL 243 CO -0.07 0.11 -0.06 -0.63 0.00 0.00 0.00 175.10 174.45 3kvo s ILE 244 N -1.65 3.69 0.30 2.22 -1.09 -1.26 -0.24 121.20 123.17 3kvo s ILE 244 Ca 0.50 -0.43 0.05 0.00 -2.23 0.00 0.00 60.65 58.53 3kvo s ILE 244 Cb -0.17 -2.60 0.30 0.00 -1.58 0.00 0.00 42.46 38.41 3kvo s ILE 244 CO 0.22 0.50 1.81 -2.24 -1.23 0.00 0.00 174.94 174.00 3kvo h ASP 245 N 6.68 0.82 -0.30 3.58 2.03 -1.63 -1.36 116.42 126.23 3kvo h ASP 245 Ca -0.30 0.07 -0.05 0.00 -0.73 0.00 0.00 57.03 56.02 3kvo h ASP 245 Cb 1.20 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.61 3kvo h ASP 245 CO 0.61 0.35 -0.03 -0.08 -1.03 0.00 0.00 179.24 179.06 3kvo h GLU 246 N 0.83 0.54 -0.42 4.15 4.81 -1.93 -2.92 114.58 119.65 3kvo h GLU 246 Ca 0.54 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 3kvo h GLU 246 Cb 0.76 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 3kvo h GLU 246 CO -0.32 0.71 0.23 -0.91 -0.73 0.00 0.00 179.01 177.99 3kvo h ASN 247 N 0.32 0.52 -0.11 1.04 2.35 -1.66 -2.11 115.58 115.93 3kvo h ASN 247 Ca 0.08 -0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 3kvo h ASN 247 Cb 0.48 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3kvo h ASN 247 CO 0.02 0.45 -0.21 -0.29 -1.65 0.00 0.00 177.43 175.74 3kvo h ILE 248 N 0.54 1.26 -0.02 2.81 6.09 -1.54 -2.07 117.51 124.59 3kvo h ILE 248 Ca 0.15 -1.21 -0.14 0.00 -1.37 0.00 0.00 64.86 62.28 3kvo h ILE 248 Cb 0.04 1.28 -0.02 0.00 0.47 0.00 0.00 36.82 38.59 3kvo h ILE 248 CO -0.02 0.39 -0.63 -0.07 -3.07 0.00 0.00 178.15 174.75 3kvo h LEU 249 N 0.47 0.10 -0.25 2.19 3.38 -1.28 -1.85 115.31 118.07 3kvo h LEU 249 Ca 0.07 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 3kvo h LEU 249 Cb 0.63 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3kvo h LEU 249 CO 0.04 0.70 -0.48 0.07 0.09 0.00 0.00 178.44 178.86 3kvo h LYS 250 N 0.06 0.78 -1.02 1.13 -0.00 -1.06 -0.73 116.57 115.73 3kvo h LYS 250 Ca -0.01 -0.50 0.26 0.00 -0.00 0.00 0.00 60.65 60.40 3kvo h LYS 250 Cb 1.12 0.06 -0.12 0.00 -0.00 0.00 0.00 32.23 33.29 3kvo h LYS 250 CO 0.09 1.12 0.62 1.49 -0.00 0.00 0.00 179.45 182.77 3kvo h GLU 251 N 0.52 0.50 -0.00 0.07 4.81 -1.16 0.01 114.58 119.33 3kvo h GLU 251 Ca 0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3kvo h GLU 251 Cb 1.09 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.36 3kvo h GLU 251 CO 0.11 0.33 -0.19 0.39 -0.73 0.00 0.00 179.01 178.92 3kvo n GLU 252 N -4.82 0.11 0.00 1.92 -0.58 -0.71 -4.94 120.64 111.62 3kvo n GLU 252 Ca 0.27 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 3kvo n GLU 252 Cb 0.80 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 3kvo n GLU 252 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kvo n GLY 253 N 1.46 0.97 3.67 0.62 0.00 -0.01 -5.07 105.19 106.82 3kvo n GLY 253 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 3kvo n GLY 253 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kvo s ILE 254 N -2.00 4.31 -0.21 -0.61 1.09 -0.35 -4.90 121.20 118.54 3kvo s ILE 254 Ca 0.00 1.61 -0.02 0.00 -1.10 0.00 0.00 60.65 61.14 3kvo s ILE 254 Cb 0.00 -4.03 -0.13 0.00 -1.06 0.00 0.00 42.46 37.24 3kvo s ILE 254 CO 0.00 -0.09 -0.21 -1.84 -0.10 0.00 0.00 174.94 172.70 3kvo n GLU 255 N 6.10 0.50 -3.80 2.79 0.00 -1.26 -4.11 120.64 120.86 3kvo n GLU 255 Ca 0.13 0.14 -0.37 0.00 0.00 0.00 0.00 57.16 57.06 3kvo n GLU 255 Cb 0.45 -1.38 -0.13 0.00 0.00 0.00 0.00 31.44 30.38 3kvo n GLU 255 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3kvo s ASN 256 N -6.25 4.95 0.00 -1.84 3.84 -1.26 -4.97 114.94 109.41 3kvo s ASN 256 Ca -0.29 -0.69 0.23 0.00 0.21 0.00 0.00 52.86 52.32 3kvo s ASN 256 Cb 0.08 -1.84 0.62 0.00 -0.55 0.00 0.00 41.25 39.56 3kvo s ASN 256 CO 0.45 -0.16 1.49 0.49 -2.79 0.00 0.00 177.10 176.58 3kvo n PHE 257 N 4.83 0.25 -0.33 0.43 3.72 -1.26 -4.27 117.46 120.83 3kvo n PHE 257 Ca -0.15 -0.12 0.18 0.00 -0.05 0.00 0.00 57.45 57.31 3kvo n PHE 257 Cb 0.48 0.00 0.36 0.00 -0.94 0.00 0.00 39.48 39.38 3kvo n PHE 257 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3kvo h ASP 258 N 3.24 -0.17 0.27 4.37 5.19 -1.97 0.16 116.42 127.51 3kvo h ASP 258 Ca 0.00 0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.65 3kvo h ASP 258 Cb 0.71 0.38 -0.00 0.00 0.18 0.00 0.00 39.33 40.59 3kvo h ASP 258 CO 0.00 -0.32 -0.06 0.58 -3.12 0.00 0.00 179.24 176.31 3kvo h VAL 259 N 0.06 0.42 -0.00 -1.35 2.07 -2.04 -1.93 116.25 113.48 3kvo h VAL 259 Ca 0.65 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.85 3kvo h VAL 259 Cb 1.44 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 3kvo h VAL 259 CO -0.82 0.06 -0.25 -1.22 0.02 0.00 0.00 177.57 175.36 3kvo n TYR 260 N -3.56 0.00 -3.04 1.57 4.01 0.56 -4.92 117.16 111.79 3kvo n TYR 260 Ca -0.02 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.32 3kvo n TYR 260 Cb 0.18 -0.21 -0.06 0.00 -0.31 0.00 0.00 39.34 38.94 3kvo n TYR 260 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kvo s ALA 261 N -2.67 3.43 0.15 -0.72 0.00 -0.73 0.40 121.76 121.63 3kvo s ALA 261 Ca 0.21 0.26 -0.17 0.00 0.00 0.00 0.00 51.96 52.26 3kvo s ALA 261 Cb 0.19 -2.92 0.05 0.00 0.00 0.00 0.00 23.12 20.44 3kvo s ALA 261 CO 0.55 0.19 1.75 0.82 0.00 0.00 0.00 175.76 179.07 3kvo h ILE 262 N 3.80 0.90 -3.03 0.00 1.08 -1.75 -3.37 117.51 115.15 3kvo h ILE 262 Ca -0.46 -0.09 -0.59 0.00 -0.39 0.00 0.00 64.86 63.34 3kvo h ILE 262 Cb 1.21 0.61 -0.40 0.00 -3.07 0.00 0.00 36.82 35.17 3kvo h ILE 262 CO 0.68 0.05 -0.76 -0.75 -0.69 0.00 0.00 178.15 176.68 3kvo s LYS 263 N -6.16 0.81 0.49 2.37 2.20 -1.26 -5.03 119.74 113.15 3kvo s LYS 263 Ca -0.13 -1.31 -0.23 0.00 -0.36 0.00 0.00 55.97 53.94 3kvo s LYS 263 Cb 0.12 -1.95 -0.08 0.00 -1.51 0.00 0.00 37.83 34.41 3kvo s LYS 263 CO 0.71 -1.06 1.17 -2.30 -0.36 0.00 0.00 175.35 173.51 3kvo n PRO 264 N 4.45 1.53 0.00 4.03 -0.02 -1.26 -2.87 135.00 140.86 3kvo n PRO 264 Ca 0.02 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3kvo n PRO 264 Cb 0.39 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3kvo n PRO 264 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kvo n GLY 265 N 0.98 1.92 3.87 -1.23 0.00 -1.26 -5.04 105.19 104.43 3kvo n GLY 265 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3kvo n GLY 265 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kvo s HIS 266 N -2.33 3.57 0.39 1.61 3.76 -1.14 -5.03 115.29 116.13 3kvo s HIS 266 Ca 0.00 0.80 -0.26 0.00 -0.15 0.00 0.00 55.06 55.45 3kvo s HIS 266 Cb 0.00 -2.17 -0.11 0.00 1.11 0.00 0.00 32.58 31.41 3kvo s HIS 266 CO 0.00 0.49 1.26 -0.35 -0.85 0.00 0.00 174.74 175.29 3kvo n PRO 267 N 0.77 1.96 -4.20 8.40 -0.04 -1.26 -4.96 135.00 135.67 3kvo n PRO 267 Ca -0.07 0.69 -0.32 0.00 -0.04 0.00 0.00 63.50 63.76 3kvo n PRO 267 Cb 0.52 -2.34 -0.08 0.00 -0.04 0.00 0.00 33.50 31.56 3kvo n PRO 267 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kvo s LEU 268 N -1.37 3.66 -0.18 1.53 1.43 -1.26 -4.39 118.68 118.10 3kvo s LEU 268 Ca 0.59 0.04 -0.26 0.00 -1.03 0.00 0.00 54.13 53.47 3kvo s LEU 268 Cb -0.53 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.53 3kvo s LEU 268 CO 0.59 0.27 0.86 -1.58 0.23 0.00 0.00 176.35 176.72 3kvo s GLN 269 N -1.71 4.28 0.60 1.70 2.00 -0.82 -5.00 119.66 120.70 3kvo s GLN 269 Ca 0.22 1.06 -0.17 0.00 -2.00 0.00 0.00 55.36 54.47 3kvo s GLN 269 Cb -0.12 -3.59 -0.03 0.00 0.80 0.00 0.00 33.01 30.07 3kvo s GLN 269 CO 0.13 -0.39 1.09 -2.14 -0.50 0.00 0.00 175.29 173.47 3kvo s PRO 270 N 2.36 3.18 0.59 1.67 0.02 -1.26 -1.03 135.00 140.54 3kvo s PRO 270 Ca 0.39 1.37 -0.14 0.00 0.02 0.00 0.00 61.00 62.64 3kvo s PRO 270 Cb -0.16 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 3kvo s PRO 270 CO 0.11 -0.94 1.03 0.34 -0.33 0.00 0.00 177.00 177.21 3kvo s ASP 271 N -2.44 6.10 0.59 2.53 -1.08 -0.52 -4.54 116.67 117.31 3kvo s ASP 271 Ca 0.67 1.59 -0.18 0.00 -0.52 0.00 0.00 52.55 54.11 3kvo s ASP 271 Cb -0.19 -2.50 -0.07 0.00 -1.46 0.00 0.00 42.92 38.70 3kvo s ASP 271 CO 0.35 -0.95 0.65 0.49 0.52 0.00 0.00 175.17 176.23 3kvo n PHE 272 N -2.29 -0.26 -0.82 -5.34 3.72 -1.26 -3.72 117.46 107.48 3kvo n PHE 272 Ca 0.07 0.43 0.00 0.00 -0.05 0.00 0.00 57.45 57.90 3kvo n PHE 272 Cb 0.54 -2.00 0.00 0.00 -0.94 0.00 0.00 39.48 37.07 3kvo n PHE 272 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3kvo n PHE 273 N -1.76 0.00 -4.37 1.38 3.72 -1.26 -5.00 117.46 110.17 3kvo n PHE 273 Ca 0.12 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.18 3kvo n PHE 273 Cb 0.48 -0.05 -0.11 0.00 -0.94 0.00 0.00 39.48 38.86 3kvo n PHE 273 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3kvo s LEU 274 N 0.00 3.36 0.08 4.37 1.43 -1.24 -4.71 118.68 121.96 3kvo s LEU 274 Ca 0.00 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3kvo s LEU 274 Cb 0.00 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3kvo s LEU 274 CO 0.00 0.22 0.19 -1.81 0.23 0.00 0.00 176.35 175.18 3kvo s ASP 275 N 0.03 6.17 0.00 2.29 1.01 -1.26 -4.94 116.67 119.97 3kvo s ASP 275 Ca 0.01 0.19 0.30 0.00 0.71 0.00 0.00 52.55 53.77 3kvo s ASP 275 Cb -0.13 -1.84 1.50 0.00 1.01 0.00 0.00 42.92 43.46 3kvo s ASP 275 CO 0.02 0.16 2.00 -0.62 0.21 0.00 0.00 175.17 176.94