#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1juy h ASN 2 N 0.00 -0.67 -3.30 1.61 2.35 -1.87 -3.38 115.58 110.33 1juy h ASN 2 Ca 0.00 0.19 -0.71 0.00 -0.55 0.00 0.00 56.30 55.23 1juy h ASN 2 Cb 0.00 0.41 -0.20 0.00 0.05 0.00 0.00 38.32 38.58 1juy h ASN 2 CO 0.00 -0.22 -0.13 0.20 -1.65 0.00 0.00 177.43 175.63 1juy s ASN 3 N -5.21 6.19 -0.12 5.81 0.01 -1.26 -1.22 114.94 119.15 1juy s ASN 3 Ca -0.14 -1.06 -0.01 0.00 -0.71 0.00 0.00 52.86 50.94 1juy s ASN 3 Cb 0.18 -2.24 -0.02 0.00 0.41 0.00 0.00 41.25 39.57 1juy s ASN 3 CO 0.72 -0.76 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.77 1juy s VAL 4 N 2.18 3.50 -0.13 1.60 1.01 -0.73 -1.02 120.40 126.81 1juy s VAL 4 Ca 0.10 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 1juy s VAL 4 Cb -0.21 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1juy s VAL 4 CO 0.10 0.53 -0.06 -0.69 0.00 0.00 0.00 175.10 174.99 1juy s VAL 5 N 0.02 3.74 -0.28 2.92 1.01 0.44 -1.60 120.40 126.64 1juy s VAL 5 Ca -0.02 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1juy s VAL 5 Cb -0.14 -2.60 0.07 0.00 0.00 0.00 0.00 36.38 33.71 1juy s VAL 5 CO 0.03 0.52 -0.06 -0.69 0.00 0.00 0.00 175.10 174.91 1juy s VAL 6 N 0.11 2.14 0.13 2.92 1.01 -0.53 0.96 120.40 127.14 1juy s VAL 6 Ca -0.02 -1.80 0.03 0.00 0.00 0.00 0.00 61.98 60.19 1juy s VAL 6 Cb -0.14 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1juy s VAL 6 CO 0.03 -0.20 -0.07 -1.48 0.00 0.00 0.00 175.10 173.38 1juy s LEU 7 N 1.07 2.46 -0.20 3.92 0.05 -0.98 -0.86 118.68 124.14 1juy s LEU 7 Ca -0.03 -1.04 -0.29 0.00 0.05 0.00 0.00 54.13 52.82 1juy s LEU 7 Cb -0.20 -0.19 0.00 0.00 -2.05 0.00 0.00 46.19 43.75 1juy s LEU 7 CO -0.06 -0.42 1.05 -0.83 -0.55 0.00 0.00 176.35 175.54 1juy s GLY 8 N -3.12 1.83 -0.04 -3.48 0.00 -1.26 -0.41 107.32 100.85 1juy s GLY 8 Ca 0.16 0.25 -0.25 0.00 0.00 0.00 0.00 44.72 44.88 1juy s GLY 8 CO -0.01 2.16 1.11 -0.91 0.00 0.00 0.00 173.10 175.45 1juy h THR 9 N 5.37 1.50 0.00 0.90 1.35 -1.63 0.99 112.91 121.39 1juy h THR 9 Ca -0.22 -1.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 1juy h THR 9 Cb 1.08 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 70.03 1juy h THR 9 CO 0.95 0.46 0.00 0.00 -0.25 0.00 0.00 175.52 176.68 1juy n GLN 10 N -4.62 0.00 -2.37 4.72 6.02 -1.26 -3.41 117.38 116.46 1juy n GLN 10 Ca -0.09 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.66 1juy n GLN 10 Cb 0.41 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.68 1juy n GLN 10 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1juy n TRP 11 N 0.00 3.07 -0.50 1.08 8.01 -1.26 -1.92 117.44 125.91 1juy n TRP 11 Ca 0.00 -2.83 0.06 0.00 -1.31 0.00 0.00 57.50 53.43 1juy n TRP 11 Cb 0.00 -0.17 -0.02 0.00 -2.01 0.00 0.00 31.31 29.10 1juy n TRP 11 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1juy n GLY 12 N -0.53 -2.24 2.41 6.99 0.00 -1.26 -4.58 105.19 105.99 1juy n GLY 12 Ca 0.38 -1.36 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 1juy n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1juy n ASP 13 N -3.11 -4.79 0.15 1.61 8.00 -1.26 -4.87 116.55 112.28 1juy n ASP 13 Ca -0.01 0.28 0.01 0.00 0.71 0.00 0.00 54.79 55.78 1juy n ASP 13 Cb 0.24 -3.71 0.18 0.00 -0.02 0.00 0.00 41.12 37.81 1juy n ASP 13 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1juy h GLU 14 N 0.00 0.00 0.00 -1.24 3.07 -1.91 -3.47 114.58 111.03 1juy h GLU 14 Ca -0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 1juy h GLU 14 Cb 1.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 1juy h GLU 14 CO 0.45 0.55 0.00 0.41 -1.40 0.00 0.00 179.01 179.02 1juy n GLY 15 N 0.53 1.00 0.08 -3.84 0.00 -1.26 -4.54 105.19 97.16 1juy n GLY 15 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1juy n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1juy h LYS 16 N 0.00 -0.10 -0.20 1.61 1.57 -1.94 -2.83 116.57 114.67 1juy h LYS 16 Ca 0.00 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1juy h LYS 16 Cb 0.00 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.26 1juy h LYS 16 CO 0.00 0.11 -0.47 0.78 -0.57 0.00 0.00 179.45 179.30 1juy h GLY 17 N -0.30 -0.81 0.23 3.86 0.00 -1.90 0.16 103.07 104.31 1juy h GLY 17 Ca -0.01 0.59 0.16 0.00 0.00 0.00 0.00 47.33 48.06 1juy h GLY 17 CO 0.02 -0.20 0.54 1.70 0.00 0.00 0.00 176.54 178.60 1juy h LYS 18 N -0.48 0.72 0.00 4.80 3.64 -1.59 -0.27 116.57 123.40 1juy h LYS 18 Ca 0.08 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.26 1juy h LYS 18 Cb 0.64 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1juy h LYS 18 CO -0.46 0.48 -0.71 0.82 -2.27 0.00 0.00 179.45 177.31 1juy h ILE 19 N 0.75 1.38 0.20 2.00 1.08 -0.98 -2.29 117.51 119.65 1juy h ILE 19 Ca 0.51 -2.53 -0.01 0.00 -0.39 0.00 0.00 64.86 62.44 1juy h ILE 19 Cb 0.72 2.41 0.00 0.00 -3.07 0.00 0.00 36.82 36.88 1juy h ILE 19 CO -0.35 0.69 -0.10 0.58 -0.69 0.00 0.00 178.15 178.29 1juy h VAL 20 N 0.00 0.90 -0.54 1.67 2.07 0.56 -1.68 116.25 119.22 1juy h VAL 20 Ca -0.01 -0.66 0.11 0.00 0.82 0.00 0.00 66.70 66.97 1juy h VAL 20 Cb 1.36 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 1juy h VAL 20 CO 0.09 0.14 0.37 -0.78 0.02 0.00 0.00 177.57 177.42 1juy h ASP 21 N -0.60 0.24 0.60 0.57 3.58 -1.10 -0.62 116.42 119.09 1juy h ASP 21 Ca -0.03 0.01 -0.28 0.00 0.42 0.00 0.00 57.03 57.15 1juy h ASP 21 Cb 0.44 -0.04 0.01 0.00 1.72 0.00 0.00 39.33 41.46 1juy h ASP 21 CO 0.04 0.14 -1.26 0.25 -2.88 0.00 0.00 179.24 175.54 1juy h LEU 22 N 0.27 0.46 0.00 2.28 5.85 -1.33 -3.36 115.31 119.48 1juy h LEU 22 Ca 0.25 -0.49 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1juy h LEU 22 Cb 0.65 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1juy h LEU 22 CO -0.05 1.39 -0.68 -0.07 -0.34 0.00 0.00 178.44 178.68 1juy h LEU 23 N 0.08 0.00 0.00 2.25 3.38 -0.70 -3.33 115.31 116.99 1juy h LEU 23 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1juy h LEU 23 Cb 1.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1juy h LEU 23 CO 0.21 0.08 0.00 0.35 0.09 0.00 0.00 178.44 179.17 1juy n THR 24 N -2.86 0.99 -0.31 0.22 -2.24 -0.30 -3.10 114.28 106.69 1juy n THR 24 Ca 0.01 0.25 0.23 0.00 -2.27 0.00 0.00 64.05 62.27 1juy n THR 24 Cb 0.58 -1.11 0.53 0.00 -2.10 0.00 0.00 70.33 68.23 1juy n THR 24 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1juy h GLU 25 N 0.00 0.35 -0.00 -0.78 4.81 -1.78 0.26 114.58 117.44 1juy h GLU 25 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1juy h GLU 25 Cb 0.10 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1juy h GLU 25 CO 0.00 0.23 -0.76 0.54 -0.73 0.00 0.00 179.01 178.30 1juy n ARG 26 N -4.57 0.23 -2.83 1.92 1.74 -1.18 -5.00 116.66 106.98 1juy n ARG 26 Ca 0.24 -0.18 -0.37 0.00 -0.77 0.00 0.00 57.85 56.77 1juy n ARG 26 Cb 0.88 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.76 1juy n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1juy s ALA 27 N -2.89 3.26 -0.13 7.54 0.00 0.92 -4.71 121.76 125.74 1juy s ALA 27 Ca 0.11 0.48 0.05 0.00 0.00 0.00 0.00 51.96 52.61 1juy s ALA 27 Cb 0.17 -3.13 -0.23 0.00 0.00 0.00 0.00 23.12 19.92 1juy s ALA 27 CO 0.76 0.20 0.32 1.17 0.00 0.00 0.00 175.76 178.21 1juy n LYS 28 N 0.71 0.69 -4.17 0.00 3.00 -0.80 -4.27 118.16 113.32 1juy n LYS 28 Ca 0.01 0.21 -0.17 0.00 -0.00 0.00 0.00 58.31 58.36 1juy n LYS 28 Cb 0.50 -1.68 -0.12 0.00 0.00 0.00 0.00 35.03 33.73 1juy n LYS 28 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1juy s TYR 29 N -2.55 0.99 -0.03 5.64 2.02 -1.17 -0.12 117.35 122.12 1juy s TYR 29 Ca -0.16 -0.43 0.02 0.00 -0.37 0.00 0.00 57.07 56.12 1juy s TYR 29 Cb 0.07 -0.57 0.01 0.00 -0.40 0.00 0.00 41.96 41.07 1juy s TYR 29 CO 0.77 0.00 -0.08 0.08 -1.57 0.00 0.00 175.55 174.76 1juy s VAL 30 N -1.17 0.72 -0.07 0.71 1.01 -0.67 -1.16 120.40 119.76 1juy s VAL 30 Ca -0.04 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1juy s VAL 30 Cb -0.09 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.65 1juy s VAL 30 CO 0.01 0.24 -0.06 -0.69 0.00 0.00 0.00 175.10 174.60 1juy s VAL 31 N 0.43 0.78 -0.17 2.92 1.01 0.12 -0.71 120.40 124.77 1juy s VAL 31 Ca -0.07 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 1juy s VAL 31 Cb -0.11 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1juy s VAL 31 CO 0.01 0.30 0.44 -0.13 0.00 0.00 0.00 175.10 175.71 1juy s ARG 32 N 1.26 4.23 0.00 2.72 1.81 -0.92 0.40 118.95 128.45 1juy s ARG 32 Ca -0.05 0.31 0.08 0.00 -1.72 0.00 0.00 55.73 54.35 1juy s ARG 32 Cb -0.14 -3.50 -0.04 0.00 -0.45 0.00 0.00 34.95 30.82 1juy s ARG 32 CO -0.02 0.02 0.48 2.48 -0.68 0.00 0.00 175.30 177.58 1juy n TYR 33 N 4.21 0.00 -3.73 -0.53 0.18 -1.25 -1.03 117.16 115.01 1juy n TYR 33 Ca -0.08 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.63 1juy n TYR 33 Cb 0.51 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.45 1juy n TYR 33 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 1juy s GLN 34 N -1.44 1.54 0.58 -3.48 1.03 -1.26 -3.60 119.66 113.03 1juy s GLN 34 Ca 0.05 -0.79 0.00 0.00 0.04 0.00 0.00 55.36 54.66 1juy s GLN 34 Cb 0.07 0.57 0.00 0.00 0.03 0.00 0.00 33.01 33.67 1juy s GLN 34 CO 0.26 -0.70 0.00 0.41 -2.54 0.00 0.00 175.29 172.72 1juy n GLY 35 N -0.43 -1.79 0.00 2.60 0.00 -1.26 -4.44 105.19 99.86 1juy n GLY 35 Ca -0.08 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1juy n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1juy n GLY 36 N 0.00 2.58 1.52 -0.02 0.00 -1.26 -1.09 105.19 106.92 1juy n GLY 36 Ca 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 1juy n GLY 36 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1juy n HIS 37 N 0.00 1.77 0.09 1.61 1.44 -1.26 -3.93 115.22 114.93 1juy n HIS 37 Ca 0.00 -1.25 -0.01 0.00 -2.01 0.00 0.00 57.72 54.44 1juy n HIS 37 Cb 0.00 -0.56 -0.05 0.00 0.12 0.00 0.00 29.99 29.50 1juy n HIS 37 CO 0.00 0.00 0.00 -2.95 -2.81 0.00 0.00 176.34 170.58 1juy h ASN 38 N 1.93 0.00 -4.09 4.39 -1.07 -1.95 -3.46 115.58 111.34 1juy h ASN 38 Ca 0.21 0.00 -0.53 0.00 0.07 0.00 0.00 56.30 56.05 1juy h ASN 38 Cb 1.97 0.00 0.11 0.00 -2.07 0.00 0.00 38.32 38.33 1juy h ASN 38 CO 0.54 0.70 0.47 0.00 0.07 0.00 0.00 177.43 179.21 1juy s ALA 39 N -2.86 2.57 -0.41 4.14 0.00 -1.25 -4.78 121.76 119.17 1juy s ALA 39 Ca 0.01 0.99 0.04 0.00 0.00 0.00 0.00 51.96 53.00 1juy s ALA 39 Cb 0.08 -3.44 0.16 0.00 0.00 0.00 0.00 23.12 19.93 1juy s ALA 39 CO 0.78 -1.11 0.41 0.20 0.00 0.00 0.00 175.76 176.04 1juy s GLY 40 N -1.61 0.21 -0.26 0.00 0.00 -1.24 -4.19 107.32 100.22 1juy s GLY 40 Ca 0.77 -1.41 -0.14 0.00 0.00 0.00 0.00 44.72 43.94 1juy s GLY 40 CO 0.32 2.65 0.32 0.30 0.00 0.00 0.00 173.10 176.70 1juy s HIS 41 N 0.89 3.26 -0.27 1.90 3.76 0.26 -4.67 115.29 120.42 1juy s HIS 41 Ca 0.24 0.36 -0.16 0.00 -0.15 0.00 0.00 55.06 55.34 1juy s HIS 41 Cb -0.08 -2.51 -0.03 0.00 1.11 0.00 0.00 32.58 31.07 1juy s HIS 41 CO -0.08 -0.18 0.43 0.99 -0.85 0.00 0.00 174.74 175.06 1juy s THR 42 N 1.88 5.13 0.11 1.30 2.01 -1.26 0.69 115.64 125.50 1juy s THR 42 Ca 0.13 0.70 0.04 0.00 0.31 0.00 0.00 61.69 62.87 1juy s THR 42 Cb -0.16 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1juy s THR 42 CO 0.10 0.12 0.11 -0.76 -0.69 0.00 0.00 174.62 173.49 1juy s LEU 43 N 2.18 3.81 -0.26 4.42 1.43 0.30 -3.42 118.68 127.14 1juy s LEU 43 Ca 0.18 -0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1juy s LEU 43 Cb -0.16 -2.47 0.14 0.00 0.03 0.00 0.00 46.19 43.74 1juy s LEU 43 CO 0.10 0.13 0.39 -0.69 0.23 0.00 0.00 176.35 176.50 1juy s VAL 44 N -1.54 -0.61 -0.19 -1.59 1.01 -1.26 -0.91 120.40 115.32 1juy s VAL 44 Ca 0.30 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 1juy s VAL 44 Cb -0.11 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1juy s VAL 44 CO 0.23 -0.19 -0.02 -0.63 0.00 0.00 0.00 175.10 174.48 1juy s ILE 45 N 2.54 3.81 -0.99 2.22 1.09 -0.68 -0.57 121.20 128.62 1juy s ILE 45 Ca 0.12 -0.37 -0.26 0.00 -1.10 0.00 0.00 60.65 59.04 1juy s ILE 45 Cb -0.14 -2.70 0.04 0.00 -1.06 0.00 0.00 42.46 38.59 1juy s ILE 45 CO -0.21 0.45 0.50 0.59 -0.10 0.00 0.00 174.94 176.16 1juy n ASN 46 N 4.08 -2.92 0.00 3.58 4.13 -1.26 0.11 115.26 122.98 1juy n ASN 46 Ca -0.17 -1.04 0.00 0.00 1.68 0.00 0.00 54.58 55.04 1juy n ASN 46 Cb 0.52 -1.25 0.00 0.00 -1.54 0.00 0.00 39.78 37.50 1juy n ASN 46 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1juy n GLY 47 N -1.91 0.45 3.69 7.41 0.00 -1.26 -4.93 105.19 108.63 1juy n GLY 47 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1juy n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1juy s GLU 48 N -0.44 4.30 0.01 1.61 2.12 0.30 -5.03 118.70 121.57 1juy s GLU 48 Ca 0.00 0.68 -0.09 0.00 0.36 0.00 0.00 54.97 55.92 1juy s GLU 48 Cb 0.00 -3.52 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 1juy s GLU 48 CO 0.00 -0.10 0.33 0.21 -0.54 0.00 0.00 175.26 175.16 1juy s LYS 49 N 1.42 3.69 -0.14 4.30 2.20 -1.26 -1.69 119.74 128.27 1juy s LYS 49 Ca 0.31 0.10 -0.05 0.00 -0.36 0.00 0.00 55.97 55.98 1juy s LYS 49 Cb -0.16 -3.10 0.07 0.00 -1.51 0.00 0.00 37.83 33.13 1juy s LYS 49 CO 0.12 0.64 0.27 0.99 -0.36 0.00 0.00 175.35 177.02 1juy s THR 50 N -1.25 -0.43 -0.35 3.43 2.01 -0.09 -4.99 115.64 113.97 1juy s THR 50 Ca 0.27 0.26 -0.09 0.00 0.31 0.00 0.00 61.69 62.44 1juy s THR 50 Cb -0.14 -0.47 0.03 0.00 0.01 0.00 0.00 72.50 71.93 1juy s THR 50 CO 0.15 0.10 0.16 -0.69 -0.69 0.00 0.00 174.62 173.65 1juy s VAL 51 N 2.43 4.28 0.23 3.82 1.01 -1.26 0.11 120.40 131.01 1juy s VAL 51 Ca 0.01 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 1juy s VAL 51 Cb -0.12 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 1juy s VAL 51 CO -0.09 -0.15 0.51 -0.76 0.00 0.00 0.00 175.10 174.61 1juy s LEU 52 N 1.51 4.16 0.00 3.92 1.43 0.22 -4.84 118.68 125.07 1juy s LEU 52 Ca 0.01 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 1juy s LEU 52 Cb -0.19 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1juy s LEU 52 CO 0.05 -0.08 0.00 1.41 0.23 0.00 0.00 176.35 177.96 1juy n HIS 53 N -0.35 0.00 0.03 0.29 8.25 -1.26 0.92 115.22 123.10 1juy n HIS 53 Ca -0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.23 1juy n HIS 53 Cb 0.53 0.02 -0.14 0.00 1.12 0.00 0.00 29.99 31.51 1juy n HIS 53 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1juy h LEU 54 N 0.00 0.49 -9.50 2.41 5.85 -1.82 -3.40 115.31 109.33 1juy h LEU 54 Ca 0.00 -0.94 -0.53 0.00 0.84 0.00 0.00 57.88 57.25 1juy h LEU 54 Cb 0.00 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1juy h LEU 54 CO 0.00 1.82 0.56 -0.63 -0.34 0.00 0.00 178.44 179.84 1juy s ILE 55 N -2.56 3.99 0.63 4.05 1.01 -1.26 -4.99 121.20 122.08 1juy s ILE 55 Ca -0.20 1.45 -0.18 0.00 0.00 0.00 0.00 60.65 61.73 1juy s ILE 55 Cb 0.06 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1juy s ILE 55 CO 0.80 0.13 0.95 -2.65 0.00 0.00 0.00 174.94 174.17 1juy n PRO 56 N 3.78 0.78 -0.18 2.79 -0.02 -1.26 -4.86 135.00 136.03 1juy n PRO 56 Ca 0.08 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1juy n PRO 56 Cb 0.46 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1juy n PRO 56 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1juy n SER 57 N -0.98 3.43 -0.00 2.55 7.64 -1.26 -2.49 113.62 122.51 1juy n SER 57 Ca 0.14 -1.93 0.01 0.00 1.01 0.00 0.00 58.87 58.10 1juy n SER 57 Cb 0.48 -0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 63.01 1juy n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1juy n GLY 58 N 0.99 0.59 0.33 0.23 0.00 -1.26 -3.37 105.19 102.69 1juy n GLY 58 Ca 0.00 -0.05 0.22 0.00 0.00 0.00 0.00 46.02 46.19 1juy n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1juy h ILE 59 N 0.00 0.31 0.00 -0.61 6.09 -1.83 0.34 117.51 121.81 1juy h ILE 59 Ca 0.00 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1juy h ILE 59 Cb 0.06 -0.04 0.00 0.00 0.47 0.00 0.00 36.82 37.31 1juy h ILE 59 CO 0.00 0.06 0.00 0.18 -3.07 0.00 0.00 178.15 175.32 1juy n LEU 60 N -5.07 0.00 -4.44 2.19 4.77 -1.26 -4.55 117.00 108.64 1juy n LEU 60 Ca 0.30 0.24 -0.33 0.00 -0.03 0.00 0.00 56.01 56.19 1juy n LEU 60 Cb 0.93 -0.24 -0.13 0.00 -2.33 0.00 0.00 43.42 41.65 1juy n LEU 60 CO 0.09 -0.16 -0.40 -0.13 -1.33 0.00 0.00 177.39 175.46 1juy s ARG 61 N -2.47 3.48 0.19 3.23 0.52 0.12 -5.00 118.95 119.02 1juy s ARG 61 Ca 0.10 -0.61 0.05 0.00 -0.52 0.00 0.00 55.73 54.75 1juy s ARG 61 Cb 0.07 -2.75 0.08 0.00 0.52 0.00 0.00 34.95 32.86 1juy s ARG 61 CO 0.14 0.25 1.44 1.05 0.02 0.00 0.00 175.30 178.20 1juy h GLU 62 N 6.63 0.14 0.00 3.54 4.11 -1.84 -3.11 114.58 124.05 1juy h GLU 62 Ca -0.29 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1juy h GLU 62 Cb 1.20 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1juy h GLU 62 CO 0.59 0.86 0.00 0.27 0.07 0.00 0.00 179.01 180.80 1juy n ASN 63 N -3.68 0.17 -4.68 3.06 6.94 -1.26 -4.71 115.26 111.09 1juy n ASN 63 Ca -0.02 0.55 -0.35 0.00 -0.02 0.00 0.00 54.58 54.73 1juy n ASN 63 Cb 0.76 -0.58 -0.09 0.00 -2.36 0.00 0.00 39.78 37.50 1juy n ASN 63 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1juy s VAL 64 N -3.09 4.31 -0.27 3.53 1.01 -1.18 -4.57 120.40 120.14 1juy s VAL 64 Ca 0.06 -0.27 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 1juy s VAL 64 Cb 0.09 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 1juy s VAL 64 CO 0.27 0.59 0.25 -0.89 0.00 0.00 0.00 175.10 175.32 1juy s THR 65 N -0.90 5.27 -0.18 3.92 2.01 0.83 -4.89 115.64 121.69 1juy s THR 65 Ca 0.14 0.31 -0.17 0.00 0.31 0.00 0.00 61.69 62.28 1juy s THR 65 Cb -0.11 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1juy s THR 65 CO 0.03 0.23 0.44 -0.44 -0.69 0.00 0.00 174.62 174.18 1juy s SER 66 N 1.64 6.52 -0.09 3.53 0.01 0.83 -1.67 113.70 124.47 1juy s SER 66 Ca 0.10 0.61 0.02 0.00 1.31 0.00 0.00 55.95 57.99 1juy s SER 66 Cb -0.16 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 1juy s SER 66 CO 0.10 -0.07 -0.15 -0.63 0.41 0.00 0.00 173.24 172.90 1juy s ILE 67 N 1.19 2.96 -0.45 1.44 -1.09 0.11 0.72 121.20 126.08 1juy s ILE 67 Ca 0.21 -0.73 -0.08 0.00 -2.23 0.00 0.00 60.65 57.83 1juy s ILE 67 Cb -0.15 -2.19 0.11 0.00 -1.58 0.00 0.00 42.46 38.65 1juy s ILE 67 CO 0.08 0.56 0.30 -0.63 -1.23 0.00 0.00 174.94 174.03 1juy s ILE 68 N -0.16 4.02 0.63 2.92 1.01 0.10 -2.16 121.20 127.57 1juy s ILE 68 Ca -0.01 -1.78 -0.15 0.00 0.00 0.00 0.00 60.65 58.71 1juy s ILE 68 Cb -0.13 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 1juy s ILE 68 CO 0.03 -0.71 1.09 -0.83 0.00 0.00 0.00 174.94 174.51 1juy s GLY 69 N 2.42 2.12 0.44 6.18 0.00 -0.20 -2.03 107.32 116.24 1juy s GLY 69 Ca 0.06 0.46 0.28 0.00 0.00 0.00 0.00 44.72 45.52 1juy s GLY 69 CO -0.01 0.80 1.66 3.45 0.00 0.00 0.00 173.10 178.99 1juy h ASN 70 N 0.16 0.27 0.40 1.64 -1.07 -1.76 0.00 115.58 115.22 1juy h ASN 70 Ca -0.47 0.12 0.00 0.00 0.07 0.00 0.00 56.30 56.02 1juy h ASN 70 Cb 1.23 0.10 0.00 0.00 -2.07 0.00 0.00 38.32 37.58 1juy h ASN 70 CO 0.56 -0.12 0.00 0.61 0.07 0.00 0.00 177.43 178.55 1juy n GLY 71 N -1.53 -0.92 3.79 9.14 0.00 0.51 -3.92 105.19 112.25 1juy n GLY 71 Ca 0.35 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.97 1juy n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1juy s VAL 72 N -3.06 4.53 -0.28 1.61 1.01 -0.02 -4.24 120.40 119.95 1juy s VAL 72 Ca 0.05 1.48 -0.19 0.00 0.00 0.00 0.00 61.98 63.31 1juy s VAL 72 Cb 0.07 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1juy s VAL 72 CO 0.22 0.51 0.58 0.68 0.00 0.00 0.00 175.10 177.09 1juy s VAL 73 N -1.17 5.00 -0.25 2.92 -7.23 -0.25 -3.72 120.40 115.70 1juy s VAL 73 Ca 0.34 0.88 -0.09 0.00 -1.81 0.00 0.00 61.98 61.30 1juy s VAL 73 Cb -0.21 -3.93 -0.04 0.00 0.56 0.00 0.00 36.38 32.76 1juy s VAL 73 CO 0.23 -0.04 0.13 -0.22 -0.31 0.00 0.00 175.10 174.90 1juy s LEU 74 N 2.48 3.85 -0.51 1.32 0.20 0.91 -4.42 118.68 122.51 1juy s LEU 74 Ca 0.24 -0.03 -0.17 0.00 0.69 0.00 0.00 54.13 54.85 1juy s LEU 74 Cb -0.15 -2.04 0.08 0.00 -0.43 0.00 0.00 46.19 43.64 1juy s LEU 74 CO 0.10 0.00 0.52 -0.55 -0.29 0.00 0.00 176.35 176.14 1juy s SER 75 N 1.41 6.18 0.37 3.68 0.15 -1.26 0.50 113.70 124.73 1juy s SER 75 Ca 0.06 -1.25 0.11 0.00 0.70 0.00 0.00 55.95 55.57 1juy s SER 75 Cb -0.15 -2.24 0.88 0.00 -1.71 0.00 0.00 66.02 62.80 1juy s SER 75 CO 0.06 -0.81 1.86 -0.65 1.20 0.00 0.00 173.24 174.90 1juy h PRO 76 N 8.90 0.61 -0.18 5.44 0.11 -1.98 -0.80 132.00 144.11 1juy h PRO 76 Ca -0.28 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1juy h PRO 76 Cb 1.10 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1juy h PRO 76 CO 0.95 0.40 0.06 0.00 -0.21 0.00 0.00 178.00 179.21 1juy h ALA 77 N 1.61 0.23 -0.74 -0.75 0.00 -1.92 -2.09 119.26 115.60 1juy h ALA 77 Ca 0.47 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1juy h ALA 77 Cb 0.84 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1juy h ALA 77 CO -0.22 -0.16 0.36 0.00 0.00 0.00 0.00 179.25 179.23 1juy h ALA 78 N 0.89 1.23 0.50 0.00 0.00 -1.62 -1.62 119.26 118.65 1juy h ALA 78 Ca 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1juy h ALA 78 Cb 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1juy h ALA 78 CO -0.00 0.59 -0.24 1.25 0.00 0.00 0.00 179.25 180.84 1juy h LEU 79 N 1.05 -0.57 -0.84 0.00 5.85 -0.98 0.27 115.31 120.08 1juy h LEU 79 Ca 0.26 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.02 1juy h LEU 79 Cb 0.10 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 1juy h LEU 79 CO -0.03 -0.33 0.51 0.24 -0.34 0.00 0.00 178.44 178.49 1juy h MET 80 N -0.79 0.87 -0.11 1.25 2.86 -1.29 0.64 114.93 118.36 1juy h MET 80 Ca -0.07 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1juy h MET 80 Cb 0.57 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 1juy h MET 80 CO 0.11 0.58 -0.05 -0.22 1.06 0.00 0.00 176.91 178.39 1juy h LYS 81 N 0.90 -0.04 -0.14 1.72 3.11 -1.16 -0.95 116.57 120.02 1juy h LYS 81 Ca 0.38 0.00 -0.23 0.00 -2.81 0.00 0.00 60.65 58.00 1juy h LYS 81 Cb 0.25 0.01 0.01 0.00 -1.00 0.00 0.00 32.23 31.50 1juy h LYS 81 CO -0.20 -0.02 -0.81 0.93 -2.81 0.00 0.00 179.45 176.54 1juy h GLU 82 N -0.04 0.77 -0.21 1.90 5.08 -0.29 -3.24 114.58 118.55 1juy h GLU 82 Ca 0.06 -0.65 0.05 0.00 -1.00 0.00 0.00 59.36 57.82 1juy h GLU 82 Cb 0.13 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1juy h GLU 82 CO -0.13 1.25 -0.13 1.98 -1.00 0.00 0.00 179.01 180.98 1juy h MET 83 N 0.52 -0.12 -0.29 2.33 4.05 0.50 -1.32 114.93 120.59 1juy h MET 83 Ca -0.06 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 1juy h MET 83 Cb 1.44 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 32.25 1juy h MET 83 CO 0.16 -0.08 0.12 -0.22 0.23 0.00 0.00 176.91 177.13 1juy h LYS 84 N -0.12 0.43 -0.71 0.39 3.64 -1.30 0.20 116.57 119.10 1juy h LYS 84 Ca 0.12 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 1juy h LYS 84 Cb 0.30 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 1juy h LYS 84 CO -0.29 0.45 0.43 0.93 -2.27 0.00 0.00 179.45 178.70 1juy h GLU 85 N 0.33 0.78 -0.63 1.90 5.08 -1.53 0.19 114.58 120.70 1juy h GLU 85 Ca 0.10 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1juy h GLU 85 Cb 0.17 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1juy h GLU 85 CO -0.01 0.52 0.09 -0.07 -1.00 0.00 0.00 179.01 178.53 1juy h LEU 86 N 0.80 1.02 -0.18 1.33 3.38 -1.00 -3.06 115.31 117.61 1juy h LEU 86 Ca 0.30 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1juy h LEU 86 Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1juy h LEU 86 CO -0.15 1.03 0.12 -0.33 0.09 0.00 0.00 178.44 179.20 1juy h GLU 87 N 0.97 0.23 -0.05 1.13 5.08 0.03 -0.04 114.58 121.94 1juy h GLU 87 Ca 0.19 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1juy h GLU 87 Cb 0.45 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1juy h GLU 87 CO 0.02 0.15 0.07 -0.44 -1.00 0.00 0.00 179.01 177.81 1juy h ASP 88 N 0.24 0.00 -0.43 1.42 3.32 -0.92 0.24 116.42 120.29 1juy h ASP 88 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1juy h ASP 88 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1juy h ASP 88 CO -0.02 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.04 1juy n ARG 89 N -3.64 2.96 -1.01 3.56 1.74 -0.84 -4.91 116.66 114.52 1juy n ARG 89 Ca -0.02 -1.95 -0.00 0.00 -0.77 0.00 0.00 57.85 55.11 1juy n ARG 89 Cb 0.15 -1.74 -0.00 0.00 -1.02 0.00 0.00 32.46 29.85 1juy n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1juy n GLY 90 N 0.79 0.45 3.41 -0.13 0.00 0.84 -5.01 105.19 105.53 1juy n GLY 90 Ca 0.18 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 1juy n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1juy s ILE 91 N -2.00 5.17 -1.24 -0.61 1.09 -0.09 -4.97 121.20 118.54 1juy s ILE 91 Ca 0.00 -0.90 -0.12 0.00 -1.10 0.00 0.00 60.65 58.54 1juy s ILE 91 Cb 0.00 -3.99 -0.06 0.00 -1.06 0.00 0.00 42.46 37.35 1juy s ILE 91 CO 0.00 -0.44 2.39 -0.81 -0.10 0.00 0.00 174.94 175.97 1juy n PRO 92 N 5.16 2.69 -0.35 2.79 -0.04 -1.26 -3.09 135.00 140.90 1juy n PRO 92 Ca -0.12 -2.01 -0.01 0.00 -0.04 0.00 0.00 63.50 61.33 1juy n PRO 92 Cb 0.45 -2.82 0.04 0.00 -0.04 0.00 0.00 33.50 31.13 1juy n PRO 92 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1juy n VAL 93 N 4.48 -0.48 0.11 0.52 0.31 -1.26 0.23 118.33 122.24 1juy n VAL 93 Ca 0.58 2.13 0.16 0.00 -0.01 0.00 0.00 64.34 67.20 1juy n VAL 93 Cb 0.26 -2.82 0.69 0.00 -0.91 0.00 0.00 33.84 31.06 1juy n VAL 93 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1juy h ARG 94 N 0.00 0.00 0.00 5.55 2.43 -1.89 0.29 114.38 120.76 1juy h ARG 94 Ca 0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1juy h ARG 94 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1juy h ARG 94 CO -0.91 0.00 -0.26 0.93 -1.51 0.00 0.00 179.97 178.22 1juy h GLU 95 N 0.00 0.00 -0.00 0.20 3.07 -0.62 -3.36 114.58 113.87 1juy h GLU 95 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 1juy h GLU 95 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1juy h GLU 95 CO -0.00 0.00 -0.02 2.89 -1.40 0.00 0.00 179.01 180.47 1juy n ARG 96 N -2.47 2.91 -4.40 2.33 1.85 0.07 -5.04 116.66 111.90 1juy n ARG 96 Ca 0.04 -0.29 -0.34 0.00 -1.00 0.00 0.00 57.85 56.27 1juy n ARG 96 Cb 0.47 -0.79 -0.12 0.00 -1.05 0.00 0.00 32.46 30.98 1juy n ARG 96 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1juy s LEU 97 N -1.07 3.31 0.18 2.89 2.96 0.81 -0.12 118.68 127.64 1juy s LEU 97 Ca 0.01 -0.08 0.10 0.00 -0.22 0.00 0.00 54.13 53.94 1juy s LEU 97 Cb 0.01 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 1juy s LEU 97 CO 0.03 0.21 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.36 1juy s LEU 98 N 0.10 2.75 0.23 -0.68 1.43 0.22 -4.78 118.68 117.96 1juy s LEU 98 Ca -0.00 -0.69 0.04 0.00 -1.03 0.00 0.00 54.13 52.45 1juy s LEU 98 Cb -0.13 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 1juy s LEU 98 CO 0.03 0.11 -0.01 -0.76 0.23 0.00 0.00 176.35 175.95 1juy s LEU 99 N -2.73 2.22 -0.15 1.79 1.43 0.52 -0.72 118.68 121.04 1juy s LEU 99 Ca 0.23 -1.20 -0.06 0.00 -1.03 0.00 0.00 54.13 52.07 1juy s LEU 99 Cb -0.09 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 45.81 1juy s LEU 99 CO 0.13 -0.50 0.07 -0.55 0.23 0.00 0.00 176.35 175.73 1juy s SER 100 N -3.30 5.71 0.43 2.29 0.15 -0.86 -0.74 113.70 117.38 1juy s SER 100 Ca 0.28 0.18 0.29 0.00 0.70 0.00 0.00 55.95 57.40 1juy s SER 100 Cb 0.05 -1.88 1.17 0.00 -1.71 0.00 0.00 66.02 63.66 1juy s SER 100 CO 0.08 0.27 1.86 1.05 1.20 0.00 0.00 173.24 177.71 1juy h GLU 101 N 5.97 0.00 0.00 5.44 4.11 -1.93 -2.57 114.58 125.60 1juy h GLU 101 Ca -0.44 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 58.90 1juy h GLU 101 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1juy h GLU 101 CO 0.64 0.00 -0.42 0.00 0.07 0.00 0.00 179.01 179.30 1juy h ALA 102 N 2.12 0.80 -1.60 1.06 0.00 -1.93 -1.08 119.26 118.63 1juy h ALA 102 Ca 0.00 -0.38 -0.71 0.00 0.00 0.00 0.00 54.91 53.82 1juy h ALA 102 Cb 0.48 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.23 1juy h ALA 102 CO 0.00 0.52 0.70 0.00 0.00 0.00 0.00 179.25 180.47 1juy s PRO 104 N 2.16 3.72 -0.16 0.00 0.02 -1.24 -0.38 135.00 139.12 1juy s PRO 104 Ca 0.92 1.45 -0.12 0.00 0.02 0.00 0.00 61.00 63.27 1juy s PRO 104 Cb -1.02 -2.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.33 1juy s PRO 104 CO 0.57 -0.51 0.22 -0.51 -0.33 0.00 0.00 177.00 176.44 1juy s LEU 105 N -3.47 4.27 -0.22 -5.54 1.43 0.17 -0.06 118.68 115.25 1juy s LEU 105 Ca 0.68 0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 54.07 1juy s LEU 105 Cb -0.19 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 1juy s LEU 105 CO 0.23 0.18 0.33 -0.63 0.23 0.00 0.00 176.35 176.69 1juy s ILE 106 N 0.13 5.24 0.09 -0.59 1.01 0.18 -4.71 121.20 122.55 1juy s ILE 106 Ca 0.14 0.54 0.07 0.00 0.00 0.00 0.00 60.65 61.40 1juy s ILE 106 Cb -0.12 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 1juy s ILE 106 CO 0.02 0.26 -0.19 -0.76 0.00 0.00 0.00 174.94 174.28 1juy s LEU 107 N 1.35 2.28 0.00 2.97 1.43 -1.26 -4.10 118.68 121.35 1juy s LEU 107 Ca 0.15 -0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1juy s LEU 107 Cb -0.15 -0.77 0.01 0.00 0.03 0.00 0.00 46.19 45.32 1juy s LEU 107 CO 0.07 0.02 0.03 -0.67 0.23 0.00 0.00 176.35 176.03 1juy n ASP 108 N 1.23 -0.00 0.27 2.29 2.03 -1.26 0.79 116.55 121.89 1juy n ASP 108 Ca -0.20 0.03 0.11 0.00 0.52 0.00 0.00 54.79 55.25 1juy n ASP 108 Cb 0.54 -0.01 0.73 0.00 -0.72 0.00 0.00 41.12 41.66 1juy n ASP 108 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1juy h TYR 109 N 0.00 0.00 0.00 -0.67 -0.00 -1.98 -0.23 116.97 114.10 1juy h TYR 109 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.71 1juy h TYR 109 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.74 1juy h TYR 109 CO -0.01 0.04 -0.13 0.45 -0.00 0.00 0.00 178.16 178.50 1juy h HIS 110 N 0.00 0.00 0.05 0.10 3.86 0.03 -0.16 115.15 119.03 1juy h HIS 110 Ca -0.00 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.95 1juy h HIS 110 Cb 0.07 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1juy h HIS 110 CO 0.00 0.13 -1.29 0.28 0.86 0.00 0.00 177.93 177.92 1juy h VAL 111 N 0.00 1.40 0.11 2.45 2.07 -1.16 -1.99 116.25 119.14 1juy h VAL 111 Ca -0.00 -3.09 -0.01 0.00 0.82 0.00 0.00 66.70 64.42 1juy h VAL 111 Cb 0.27 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1juy h VAL 111 CO 0.02 0.85 -0.05 0.00 0.02 0.00 0.00 177.57 178.40 1juy h ALA 112 N 0.80 -0.15 0.23 1.67 0.00 -0.97 0.23 119.26 121.06 1juy h ALA 112 Ca -0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1juy h ALA 112 Cb 1.91 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1juy h ALA 112 CO 0.14 -0.53 -0.11 -0.07 0.00 0.00 0.00 179.25 178.68 1juy h LEU 113 N -0.25 -0.26 -1.36 0.00 3.38 -1.13 0.16 115.31 115.86 1juy h LEU 113 Ca -0.02 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.09 1juy h LEU 113 Cb 0.21 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1juy h LEU 113 CO 0.03 -0.18 0.54 -0.78 0.09 0.00 0.00 178.44 178.14 1juy h ASP 114 N -0.31 0.61 0.22 -0.43 3.58 -1.25 0.25 116.42 119.10 1juy h ASP 114 Ca -0.03 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1juy h ASP 114 Cb 0.24 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1juy h ASP 114 CO 0.05 0.33 -0.11 0.78 -2.88 0.00 0.00 179.24 177.41 1juy h ASN 115 N 0.66 -0.26 -0.16 2.28 -0.26 -0.40 -2.20 115.58 115.24 1juy h ASN 115 Ca 0.41 -0.23 0.05 0.00 -0.56 0.00 0.00 56.30 55.97 1juy h ASN 115 Cb 0.66 0.07 -0.06 0.00 -1.06 0.00 0.00 38.32 37.92 1juy h ASN 115 CO -0.17 0.11 -0.25 0.00 -1.06 0.00 0.00 177.43 176.07 1juy h ALA 116 N -0.00 -0.20 -0.98 -0.83 0.00 0.74 -1.87 119.26 116.10 1juy h ALA 116 Ca -0.03 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1juy h ALA 116 Cb 0.47 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1juy h ALA 116 CO 0.05 -0.70 0.64 0.00 0.00 0.00 0.00 179.25 179.24 1juy h ARG 117 N -0.30 1.15 -0.26 0.00 3.08 -0.62 -1.02 114.38 116.42 1juy h ARG 117 Ca 0.11 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 1juy h ARG 117 Cb 0.46 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1juy h ARG 117 CO -0.33 0.76 -0.02 0.93 -1.07 0.00 0.00 179.97 180.23 1juy h GLU 118 N 1.19 0.48 -0.30 0.04 4.39 -0.70 -2.70 114.58 116.98 1juy h GLU 118 Ca 0.41 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 1juy h GLU 118 Cb 0.10 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1juy h GLU 118 CO -0.15 0.67 0.14 1.57 -1.16 0.00 0.00 179.01 180.09 1juy h LYS 119 N 0.25 0.43 -0.75 2.33 2.10 -1.09 -1.77 116.57 118.07 1juy h LYS 119 Ca 0.07 -0.06 0.22 0.00 -2.00 0.00 0.00 60.65 58.88 1juy h LYS 119 Cb 0.47 -0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.69 1juy h LYS 119 CO 0.02 0.41 0.64 0.00 -2.00 0.00 0.00 179.45 178.52 1juy h ALA 120 N 1.00 2.60 0.00 0.07 0.00 -1.09 1.34 119.26 123.18 1juy h ALA 120 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1juy h ALA 120 Cb 0.12 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1juy h ALA 120 CO -0.01 -1.03 0.00 0.00 0.00 0.00 0.00 179.25 178.21 1juy h ARG 121 N 0.00 0.00 0.00 0.00 3.08 -0.99 -3.48 114.38 112.99 1juy h ARG 121 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1juy h ARG 121 Cb 1.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.69 1juy h ARG 121 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1juy n GLY 122 N 0.95 3.06 0.37 0.04 0.00 0.46 -0.34 105.19 109.73 1juy n GLY 122 Ca 0.04 -0.06 0.18 0.00 0.00 0.00 0.00 46.02 46.18 1juy n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1juy h ALA 123 N -0.54 1.80 -0.77 4.61 0.00 -1.92 -0.81 119.26 121.64 1juy h ALA 123 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 1juy h ALA 123 Cb 0.00 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.63 1juy h ALA 123 CO 0.00 -0.54 0.38 1.63 0.00 0.00 0.00 179.25 180.72 1juy n LYS 124 N -3.34 3.05 -2.02 0.00 5.02 0.54 -4.99 118.16 116.42 1juy n LYS 124 Ca 0.03 -2.81 -0.41 0.00 -2.02 0.00 0.00 58.31 53.11 1juy n LYS 124 Cb 0.54 -2.13 -0.02 0.00 -0.02 0.00 0.00 35.03 33.40 1juy n LYS 124 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1juy s ALA 125 N -2.87 3.61 0.23 7.82 0.00 -0.31 -4.89 121.76 125.34 1juy s ALA 125 Ca 0.51 1.33 -0.07 0.00 0.00 0.00 0.00 51.96 53.73 1juy s ALA 125 Cb 0.42 -3.55 0.28 0.00 0.00 0.00 0.00 23.12 20.27 1juy s ALA 125 CO 0.12 -0.74 1.84 0.82 0.00 0.00 0.00 175.76 177.79 1juy h ILE 126 N 3.44 1.03 0.00 0.00 2.04 -1.91 -3.43 117.51 118.68 1juy h ILE 126 Ca -0.47 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1juy h ILE 126 Cb 1.22 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1juy h ILE 126 CO 0.75 0.16 0.00 0.61 0.00 0.00 0.00 178.15 179.67 1juy n GLY 127 N -1.31 1.10 3.73 5.37 0.00 -1.26 -1.12 105.19 111.71 1juy n GLY 127 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1juy n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1juy s THR 128 N -2.00 2.36 -0.85 2.61 2.01 -1.26 -4.59 115.64 113.92 1juy s THR 128 Ca 0.00 0.20 0.14 0.00 0.31 0.00 0.00 61.69 62.34 1juy s THR 128 Cb 0.00 -2.91 0.13 0.00 0.01 0.00 0.00 72.50 69.73 1juy s THR 128 CO 0.00 -0.07 1.45 0.35 -0.69 0.00 0.00 174.62 175.66 1juy n THR 129 N -2.23 1.13 -0.88 -0.82 -2.24 -1.26 -4.89 114.28 103.09 1juy n THR 129 Ca 0.14 0.31 0.00 0.00 -2.27 0.00 0.00 64.05 62.23 1juy n THR 129 Cb 0.50 -1.15 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 1juy n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1juy n GLY 130 N -0.31 0.93 0.00 3.38 0.00 -1.26 -4.93 105.19 103.01 1juy n GLY 130 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1juy n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1juy n ARG 131 N -2.01 0.17 -0.72 1.61 5.12 -1.26 -4.78 116.66 114.78 1juy n ARG 131 Ca 0.00 0.09 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 1juy n ARG 131 Cb 0.00 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 1juy n ARG 131 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1juy n GLY 132 N 0.78 0.56 0.23 -0.13 0.00 -1.26 -4.65 105.19 100.73 1juy n GLY 132 Ca 0.08 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 1juy n GLY 132 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1juy h ILE 133 N 0.00 0.52 0.26 -0.61 1.08 -1.90 -2.34 117.51 114.51 1juy h ILE 133 Ca 0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1juy h ILE 133 Cb 0.00 0.52 -0.03 0.00 -3.07 0.00 0.00 36.82 34.24 1juy h ILE 133 CO 0.00 0.00 -0.39 1.23 -0.69 0.00 0.00 178.15 178.30 1juy h GLY 134 N -0.25 -1.16 0.07 5.37 0.00 -1.93 0.08 103.07 105.25 1juy h GLY 134 Ca 0.09 0.56 0.22 0.00 0.00 0.00 0.00 47.33 48.21 1juy h GLY 134 CO -0.26 -0.34 0.63 -2.55 0.00 0.00 0.00 176.54 174.02 1juy h PRO 135 N -0.69 0.53 -0.15 4.80 0.11 -1.82 0.51 132.00 135.30 1juy h PRO 135 Ca -0.03 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 1juy h PRO 135 Cb 0.63 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1juy h PRO 135 CO -0.12 0.35 0.04 0.00 -0.21 0.00 0.00 178.00 178.06 1juy h ALA 136 N 1.63 0.19 -0.57 -0.75 0.00 -1.00 -0.49 119.26 118.29 1juy h ALA 136 Ca 0.56 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1juy h ALA 136 Cb 1.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1juy h ALA 136 CO -0.31 -0.18 0.26 1.88 0.00 0.00 0.00 179.25 180.90 1juy h TYR 137 N 0.04 0.79 0.83 0.00 0.05 0.15 -1.13 116.97 117.70 1juy h TYR 137 Ca 0.05 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 1juy h TYR 137 Cb 0.25 -0.25 0.01 0.00 1.01 0.00 0.00 36.73 37.74 1juy h TYR 137 CO 0.01 0.59 -0.41 0.93 -1.05 0.00 0.00 178.16 178.23 1juy h GLU 138 N 0.80 -1.08 -0.64 4.88 5.08 0.18 -1.75 114.58 122.04 1juy h GLU 138 Ca 0.20 0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.71 1juy h GLU 138 Cb 0.10 0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1juy h GLU 138 CO -0.02 -0.72 0.42 -0.44 -1.00 0.00 0.00 179.01 177.25 1juy h ASP 139 N -1.13 0.49 0.06 1.42 3.32 -0.93 0.41 116.42 120.07 1juy h ASP 139 Ca -0.11 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1juy h ASP 139 Cb 0.87 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.32 1juy h ASP 139 CO 0.18 0.31 -0.04 0.50 -1.72 0.00 0.00 179.24 178.47 1juy h LYS 140 N 0.55 -0.09 -0.91 3.56 3.64 -0.90 0.30 116.57 122.72 1juy h LYS 140 Ca 0.29 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.84 1juy h LYS 140 Cb 0.40 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 1juy h LYS 140 CO -0.09 -0.06 0.59 -0.24 -2.27 0.00 0.00 179.45 177.38 1juy h VAL 141 N -0.09 0.77 -0.11 2.00 3.04 -0.95 0.47 116.25 121.38 1juy h VAL 141 Ca -0.01 -0.21 -0.02 0.00 -1.01 0.00 0.00 66.70 65.45 1juy h VAL 141 Cb 0.07 0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 29.44 1juy h VAL 141 CO 0.01 0.11 -0.02 0.00 -1.01 0.00 0.00 177.57 176.66 1juy h ALA 142 N 1.61 1.77 0.00 3.17 0.00 0.07 -3.47 119.26 122.41 1juy h ALA 142 Ca 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1juy h ALA 142 Cb 0.88 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1juy h ALA 142 CO -0.22 0.18 0.00 0.54 0.00 0.00 0.00 179.25 179.74 1juy n ARG 143 N -4.42 0.00 0.00 0.00 1.74 0.16 -4.92 116.66 109.22 1juy n ARG 143 Ca -0.01 0.23 0.01 0.00 -0.77 0.00 0.00 57.85 57.31 1juy n ARG 143 Cb 0.16 -3.05 -0.01 0.00 -1.02 0.00 0.00 32.46 28.54 1juy n ARG 143 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1juy n ARG 144 N -2.04 5.55 -1.38 5.56 1.85 -0.91 -5.06 116.66 120.23 1juy n ARG 144 Ca 0.00 -0.07 -0.31 0.00 -1.00 0.00 0.00 57.85 56.46 1juy n ARG 144 Cb 0.17 -0.64 0.08 0.00 -1.05 0.00 0.00 32.46 31.02 1juy n ARG 144 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1juy s GLY 145 N -1.07 1.75 -0.07 2.89 0.00 -0.77 -4.92 107.32 105.14 1juy s GLY 145 Ca 0.01 0.28 -0.04 0.00 0.00 0.00 0.00 44.72 44.97 1juy s GLY 145 CO 0.07 0.62 0.12 1.08 0.00 0.00 0.00 173.10 175.00 1juy s LEU 146 N -5.71 4.18 0.34 0.66 1.43 -1.26 -4.95 118.68 113.37 1juy s LEU 146 Ca 0.62 0.33 0.09 0.00 -1.03 0.00 0.00 54.13 54.14 1juy s LEU 146 Cb -0.17 -2.20 -0.06 0.00 0.03 0.00 0.00 46.19 43.78 1juy s LEU 146 CO 0.54 0.34 -0.09 -0.13 0.23 0.00 0.00 176.35 177.24 1juy s ARG 147 N -1.36 1.80 0.28 1.70 0.52 -1.26 0.44 118.95 121.06 1juy s ARG 147 Ca 0.19 -1.93 -0.03 0.00 -0.52 0.00 0.00 55.73 53.45 1juy s ARG 147 Cb -0.12 -1.66 0.59 0.00 0.52 0.00 0.00 34.95 34.28 1juy s ARG 147 CO 0.09 0.13 1.60 0.28 0.02 0.00 0.00 175.30 177.43 1juy h VAL 148 N 2.04 0.18 -0.59 3.52 2.07 -0.57 0.96 116.25 123.86 1juy h VAL 148 Ca -0.42 -0.02 0.15 0.00 0.82 0.00 0.00 66.70 67.23 1juy h VAL 148 Cb 1.25 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1juy h VAL 148 CO 0.70 0.01 0.41 1.23 0.02 0.00 0.00 177.57 179.95 1juy h GLY 149 N 0.07 0.19 1.94 2.17 0.00 -1.48 -0.74 103.07 105.22 1juy h GLY 149 Ca 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1juy h GLY 149 CO -0.80 0.02 0.03 -0.55 0.00 0.00 0.00 176.54 175.24 1juy h ASP 150 N 0.11 0.00 1.24 0.19 3.32 -1.09 0.14 116.42 120.33 1juy h ASP 150 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1juy h ASP 150 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1juy h ASP 150 CO -0.03 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.42 1juy h LEU 151 N 0.00 0.00 -2.36 1.55 3.38 -1.26 -3.15 115.31 113.47 1juy h LEU 151 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1juy h LEU 151 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1juy h LEU 151 CO 0.00 0.00 0.13 -0.26 0.09 0.00 0.00 178.44 178.40 1juy h PHE 152 N 0.00 0.00 -3.25 1.13 0.04 -0.89 -3.28 116.94 110.69 1juy h PHE 152 Ca 0.00 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.17 1juy h PHE 152 Cb 0.62 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 38.37 1juy h PHE 152 CO 0.00 0.00 -0.75 0.34 -0.60 0.00 0.00 178.31 177.30 1juy s ASP 153 N -5.73 4.16 0.37 2.17 -1.08 -1.19 -5.01 116.67 110.36 1juy s ASP 153 Ca -0.05 -1.82 0.06 0.00 -0.52 0.00 0.00 52.55 50.22 1juy s ASP 153 Cb 0.15 -1.04 0.73 0.00 -1.46 0.00 0.00 42.92 41.29 1juy s ASP 153 CO 0.52 -0.40 1.94 0.11 0.52 0.00 0.00 175.17 177.86 1juy h LYS 154 N 7.89 0.46 0.36 4.34 1.57 -1.78 -1.15 116.57 128.26 1juy h LYS 154 Ca -0.11 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1juy h LYS 154 Cb 1.01 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1juy h LYS 154 CO 0.48 0.45 -0.17 0.93 -0.57 0.00 0.00 179.45 180.57 1juy h GLU 155 N 0.46 -0.46 -0.03 3.15 5.08 -1.93 -1.49 114.58 119.35 1juy h GLU 155 Ca 0.11 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1juy h GLU 155 Cb 0.21 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1juy h GLU 155 CO -0.00 -0.16 -0.19 1.79 -1.00 0.00 0.00 179.01 179.45 1juy h THR 156 N -0.77 1.15 0.27 1.13 1.35 -1.90 -2.34 112.91 111.80 1juy h THR 156 Ca -0.05 -0.71 -0.01 0.00 -0.55 0.00 0.00 66.41 65.09 1juy h THR 156 Cb 0.51 1.35 -0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1juy h THR 156 CO 0.08 0.21 -0.16 0.15 -0.25 0.00 0.00 175.52 175.54 1juy h PHE 157 N 0.04 -0.42 -0.88 4.73 3.04 -1.04 0.12 116.94 122.52 1juy h PHE 157 Ca 0.01 -0.01 0.14 0.00 3.98 0.00 0.00 57.97 62.09 1juy h PHE 157 Cb 0.36 0.15 -0.09 0.00 2.56 0.00 0.00 35.95 38.93 1juy h PHE 157 CO 0.00 -0.26 0.49 0.00 -2.02 0.00 0.00 178.31 176.53 1juy h ALA 158 N 0.30 1.33 0.90 2.41 0.00 -0.77 0.35 119.26 123.79 1juy h ALA 158 Ca -0.03 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1juy h ALA 158 Cb 0.34 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1juy h ALA 158 CO 0.03 0.00 -0.43 0.93 0.00 0.00 0.00 179.25 179.78 1juy h GLU 159 N 0.73 -1.17 -0.45 0.00 5.08 -0.94 -0.96 114.58 116.87 1juy h GLU 159 Ca 0.47 0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.99 1juy h GLU 159 Cb 0.59 0.27 -0.10 0.00 0.50 0.00 0.00 28.75 30.01 1juy h GLU 159 CO -0.32 -0.78 -0.30 0.87 -1.00 0.00 0.00 179.01 177.48 1juy h LYS 160 N -1.27 -0.20 -0.82 2.33 1.57 0.02 -0.43 116.57 117.77 1juy h LYS 160 Ca -0.12 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.75 1juy h LYS 160 Cb 0.93 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.22 1juy h LYS 160 CO 0.20 -0.13 0.48 1.25 -0.57 0.00 0.00 179.45 180.69 1juy h LEU 161 N -0.20 0.72 0.12 2.94 5.85 -0.31 -2.20 115.31 122.22 1juy h LEU 161 Ca 0.20 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.97 1juy h LEU 161 Cb 0.52 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1juy h LEU 161 CO -0.57 0.43 -0.34 0.50 -0.34 0.00 0.00 178.44 178.12 1juy h LYS 162 N 0.84 -0.55 0.06 1.25 1.63 0.35 0.12 116.57 120.27 1juy h LYS 162 Ca 0.38 0.04 0.03 0.00 -0.85 0.00 0.00 60.65 60.25 1juy h LYS 162 Cb 0.29 0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 32.00 1juy h LYS 162 CO -0.22 -0.37 -0.40 0.93 -3.45 0.00 0.00 179.45 175.95 1juy h GLU 163 N -0.57 -0.57 -0.35 1.90 5.08 -1.19 0.80 114.58 119.68 1juy h GLU 163 Ca 0.03 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1juy h GLU 163 Cb 0.60 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 1juy h GLU 163 CO -0.20 -0.38 -0.49 0.28 -1.00 0.00 0.00 179.01 177.22 1juy h VAL 164 N -0.59 0.00 -0.74 3.13 2.07 -1.11 -0.31 116.25 118.69 1juy h VAL 164 Ca 0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1juy h VAL 164 Cb 0.65 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1juy h VAL 164 CO -0.27 0.00 0.49 0.24 0.02 0.00 0.00 177.57 178.05 1juy h MET 165 N -0.36 0.94 0.45 1.57 2.86 -0.56 0.20 114.93 120.03 1juy h MET 165 Ca 0.06 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1juy h MET 165 Cb 0.53 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1juy h MET 165 CO -0.52 0.62 -0.42 0.93 1.06 0.00 0.00 176.91 178.58 1juy h GLU 166 N 0.96 -0.83 -0.47 1.72 5.08 0.44 0.14 114.58 121.63 1juy h GLU 166 Ca 0.28 0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.79 1juy h GLU 166 Cb -0.05 0.19 -0.10 0.00 0.50 0.00 0.00 28.75 29.29 1juy h GLU 166 CO -0.07 -0.55 -0.31 -0.92 -1.00 0.00 0.00 179.01 176.16 1juy h TYR 167 N -0.86 -0.85 -0.50 4.33 3.20 -0.61 -1.10 116.97 120.58 1juy h TYR 167 Ca -0.06 0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1juy h TYR 167 Cb 0.73 0.44 -0.04 0.00 1.54 0.00 0.00 36.73 39.41 1juy h TYR 167 CO -0.20 -0.37 0.29 0.45 -1.64 0.00 0.00 178.16 176.68 1juy h HIS 168 N -0.20 0.53 -0.30 -3.82 3.86 -0.80 -2.74 115.15 111.69 1juy h HIS 168 Ca 0.20 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.40 1juy h HIS 168 Cb 0.53 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 1juy h HIS 168 CO -0.56 0.29 0.06 -0.91 0.86 0.00 0.00 177.93 177.67 1juy h ASN 169 N 0.57 0.39 -0.17 2.45 2.35 0.45 -2.23 115.58 119.39 1juy h ASN 169 Ca 0.21 -0.05 0.05 0.00 -0.55 0.00 0.00 56.30 55.96 1juy h ASN 169 Cb 0.05 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.27 1juy h ASN 169 CO -0.11 0.41 -0.16 0.15 -1.65 0.00 0.00 177.43 176.07 1juy h PHE 170 N 0.42 -0.42 -0.48 1.19 3.04 -0.94 0.26 116.94 120.01 1juy h PHE 170 Ca 0.10 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.98 1juy h PHE 170 Cb 0.19 0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.90 1juy h PHE 170 CO 0.01 -0.24 -0.07 -0.56 -2.02 0.00 0.00 178.31 175.42 1juy h GLN 171 N -0.19 0.90 -0.79 1.11 3.07 -1.51 0.25 115.11 117.95 1juy h GLN 171 Ca 0.11 -0.32 -0.05 0.00 0.09 0.00 0.00 58.65 58.48 1juy h GLN 171 Cb 0.35 -0.06 -0.03 0.00 0.08 0.00 0.00 27.48 27.81 1juy h GLN 171 CO -0.28 0.97 0.30 -0.07 0.09 0.00 0.00 178.83 179.84 1juy h LEU 172 N 0.75 1.09 0.31 0.06 3.38 -1.04 0.26 115.31 120.12 1juy h LEU 172 Ca 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1juy h LEU 172 Cb 0.61 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1juy h LEU 172 CO 0.04 0.98 -0.15 0.58 0.09 0.00 0.00 178.44 179.98 1juy h VAL 173 N 1.15 0.02 0.16 1.22 2.07 -0.33 2.22 116.25 122.75 1juy h VAL 173 Ca 0.26 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1juy h VAL 173 Cb 0.23 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1juy h VAL 173 CO -0.02 0.01 -0.08 0.78 0.02 0.00 0.00 177.57 178.28 1juy h ASN 174 N -1.11 -0.18 -0.00 0.57 2.35 -0.59 -1.83 115.58 114.80 1juy h ASN 174 Ca -0.04 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1juy h ASN 174 Cb 0.33 0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 1juy h ASN 174 CO 0.07 0.20 -0.00 0.22 -1.65 0.00 0.00 177.43 176.27 1juy h TYR 175 N -0.87 0.00 0.00 1.19 5.03 -1.55 -3.26 116.97 117.51 1juy h TYR 175 Ca -0.02 -0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.22 1juy h TYR 175 Cb 0.16 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.43 1juy h TYR 175 CO 0.01 0.33 -0.76 1.88 -1.32 0.00 0.00 178.16 178.30 1juy h TYR 176 N -0.33 0.00 -4.91 -3.82 0.05 -1.07 -3.48 116.97 103.41 1juy h TYR 176 Ca 0.00 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.45 1juy h TYR 176 Cb 0.33 0.00 0.11 0.00 1.01 0.00 0.00 36.73 38.18 1juy h TYR 176 CO 0.04 0.25 -0.56 1.63 -1.05 0.00 0.00 178.16 178.47 1juy n LYS 177 N -2.95 -6.41 -3.22 4.88 4.01 -0.68 -4.98 118.16 108.81 1juy n LYS 177 Ca -0.01 0.70 -0.18 0.00 -0.51 0.00 0.00 58.31 58.31 1juy n LYS 177 Cb 0.66 -5.31 0.00 0.00 -0.51 0.00 0.00 35.03 29.86 1juy n LYS 177 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1juy s ALA 178 N -3.25 4.39 0.14 7.82 0.00 0.74 -4.96 121.76 126.65 1juy s ALA 178 Ca 0.47 -1.59 -0.30 0.00 0.00 0.00 0.00 51.96 50.53 1juy s ALA 178 Cb -0.21 -1.63 -0.08 0.00 0.00 0.00 0.00 23.12 21.21 1juy s ALA 178 CO 0.58 -0.18 1.28 -1.83 0.00 0.00 0.00 175.76 175.61 1juy s GLU 179 N -4.27 4.41 0.28 0.00 -1.05 -1.26 -3.95 118.70 112.86 1juy s GLU 179 Ca 0.51 1.95 -0.26 0.00 -0.15 0.00 0.00 54.97 57.02 1juy s GLU 179 Cb -0.10 -3.25 -0.09 0.00 -0.44 0.00 0.00 34.13 30.25 1juy s GLU 179 CO 0.32 -0.26 0.90 0.00 0.95 0.00 0.00 175.26 177.17 1juy s ALA 180 N 0.52 3.29 0.17 -0.84 0.00 -1.26 -4.86 121.76 118.78 1juy s ALA 180 Ca 0.58 0.48 -0.25 0.00 0.00 0.00 0.00 51.96 52.77 1juy s ALA 180 Cb -0.34 -3.12 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 1juy s ALA 180 CO 0.34 0.21 0.77 0.08 0.00 0.00 0.00 175.76 177.17 1juy s VAL 181 N -1.47 4.37 -0.23 0.00 1.01 -1.26 -5.02 120.40 117.81 1juy s VAL 181 Ca 0.46 1.69 -0.24 0.00 0.00 0.00 0.00 61.98 63.88 1juy s VAL 181 Cb -0.20 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1juy s VAL 181 CO 0.25 0.51 0.82 -0.62 0.00 0.00 0.00 175.10 176.06 1juy s ASP 182 N -1.17 6.84 0.12 3.32 2.15 -1.26 -4.97 116.67 121.71 1juy s ASP 182 Ca 0.36 1.05 -0.28 0.00 0.43 0.00 0.00 52.55 54.10 1juy s ASP 182 Cb -0.23 -2.43 -0.08 0.00 -0.30 0.00 0.00 42.92 39.88 1juy s ASP 182 CO 0.26 -0.48 1.61 0.22 -0.17 0.00 0.00 175.17 176.61 1juy h TYR 183 N 7.61 -0.92 -0.77 -5.34 3.20 -1.97 -2.03 116.97 116.76 1juy h TYR 183 Ca -0.25 0.02 0.13 0.00 3.14 0.00 0.00 58.73 61.78 1juy h TYR 183 Cb 1.10 0.39 -0.09 0.00 1.54 0.00 0.00 36.73 39.68 1juy h TYR 183 CO 0.74 -0.44 0.35 0.37 -1.64 0.00 0.00 178.16 177.55 1juy h GLN 184 N -0.53 0.52 -0.56 1.82 5.75 -1.99 0.91 115.11 121.02 1juy h GLN 184 Ca 0.04 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.44 1juy h GLN 184 Cb 0.59 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.99 1juy h GLN 184 CO -0.22 0.34 0.08 -0.22 -2.65 0.00 0.00 178.83 176.16 1juy h LYS 185 N 0.53 0.91 -0.11 1.69 1.63 -1.88 -1.11 116.57 118.22 1juy h LYS 185 Ca 0.41 -0.22 -0.05 0.00 -0.85 0.00 0.00 60.65 59.94 1juy h LYS 185 Cb 0.56 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1juy h LYS 185 CO -0.36 0.85 -0.13 0.28 -3.45 0.00 0.00 179.45 176.65 1juy h VAL 186 N 0.86 1.36 -0.42 2.00 2.07 -0.44 -1.98 116.25 119.70 1juy h VAL 186 Ca 0.18 -1.31 0.08 0.00 0.82 0.00 0.00 66.70 66.47 1juy h VAL 186 Cb 0.39 1.97 -0.07 0.00 -1.52 0.00 0.00 31.29 32.07 1juy h VAL 186 CO 0.01 0.38 -0.02 0.25 0.02 0.00 0.00 177.57 178.21 1juy h LEU 187 N -0.12 -0.21 0.47 2.57 5.85 -0.72 -1.26 115.31 121.89 1juy h LEU 187 Ca 0.02 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1juy h LEU 187 Cb 0.66 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1juy h LEU 187 CO 0.03 -0.07 -0.23 0.44 -0.34 0.00 0.00 178.44 178.28 1juy h ASP 188 N 0.09 -0.53 -0.99 1.25 3.32 -1.21 -1.17 116.42 117.18 1juy h ASP 188 Ca 0.21 -0.07 0.20 0.00 0.02 0.00 0.00 57.03 57.39 1juy h ASP 188 Cb 0.31 0.14 -0.11 0.00 0.22 0.00 0.00 39.33 39.88 1juy h ASP 188 CO -0.36 -0.22 0.59 0.44 -1.72 0.00 0.00 179.24 177.96 1juy h ASP 189 N -0.86 0.73 0.30 6.45 5.19 -1.25 -1.62 116.42 125.36 1juy h ASP 189 Ca -0.06 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 1juy h ASP 189 Cb 0.58 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.07 1juy h ASP 189 CO 0.11 0.23 -0.14 0.74 -3.12 0.00 0.00 179.24 177.05 1juy h THR 190 N 0.70 0.53 -0.34 0.35 2.02 -1.10 -3.16 112.91 111.92 1juy h THR 190 Ca 0.58 -0.80 0.10 0.00 0.77 0.00 0.00 66.41 67.06 1juy h THR 190 Cb 0.95 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1juy h THR 190 CO -0.41 0.12 0.34 0.24 0.37 0.00 0.00 175.52 176.18 1juy h MET 191 N -0.93 0.00 0.00 6.66 2.86 -0.93 0.24 114.93 122.83 1juy h MET 191 Ca -0.04 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1juy h MET 191 Cb 0.51 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 1juy h MET 191 CO 0.07 0.00 -0.01 0.00 1.06 0.00 0.00 176.91 178.03 1juy h ALA 192 N 1.64 1.06 0.00 6.32 0.00 -1.26 -3.07 119.26 123.94 1juy h ALA 192 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1juy h ALA 192 Cb 0.84 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1juy h ALA 192 CO -0.00 0.01 0.00 1.33 0.00 0.00 0.00 179.25 180.59 1juy n VAL 193 N -3.18 0.00 -0.21 0.00 0.24 0.79 -4.82 118.33 111.16 1juy n VAL 193 Ca -0.02 -0.46 0.02 0.00 -2.04 0.00 0.00 64.34 61.84 1juy n VAL 193 Cb 0.14 1.08 0.13 0.00 -1.47 0.00 0.00 33.84 33.72 1juy n VAL 193 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1juy h ALA 194 N 0.00 0.82 -0.26 2.33 0.00 -1.32 0.35 119.26 121.18 1juy h ALA 194 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1juy h ALA 194 Cb 0.04 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1juy h ALA 194 CO 0.00 -0.26 0.12 -0.44 0.00 0.00 0.00 179.25 178.67 1juy h ASP 195 N 0.34 0.35 0.16 0.00 3.32 -1.88 0.60 116.42 119.31 1juy h ASP 195 Ca 0.34 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.26 1juy h ASP 195 Cb 0.49 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1juy h ASP 195 CO -0.38 0.39 -0.28 0.40 -1.72 0.00 0.00 179.24 177.65 1juy h ILE 196 N 0.29 0.39 -0.03 0.35 5.03 -1.73 0.33 117.51 122.14 1juy h ILE 196 Ca 0.09 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.83 1juy h ILE 196 Cb 0.14 0.39 -0.01 0.00 -3.03 0.00 0.00 36.82 34.32 1juy h ILE 196 CO -0.01 0.00 -0.05 0.25 -0.68 0.00 0.00 178.15 177.67 1juy h LEU 197 N -0.52 -0.15 -2.25 1.44 7.12 -0.58 -1.49 115.31 118.87 1juy h LEU 197 Ca 0.02 0.02 0.04 0.00 0.13 0.00 0.00 57.88 58.09 1juy h LEU 197 Cb 0.53 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.71 1juy h LEU 197 CO -0.14 -0.03 0.24 0.71 -0.13 0.00 0.00 178.44 179.09 1juy h THR 198 N -0.04 0.24 -0.10 1.05 1.35 0.34 -0.88 112.91 114.87 1juy h THR 198 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.79 1juy h THR 198 Cb 0.05 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.25 1juy h THR 198 CO -0.04 0.00 -0.26 0.77 -0.25 0.00 0.00 175.52 175.74 1juy h SER 199 N 0.00 0.18 0.18 5.36 4.64 0.76 -2.78 113.55 121.89 1juy h SER 199 Ca 0.06 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1juy h SER 199 Cb 0.54 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1juy h SER 199 CO -0.00 0.44 -0.12 0.23 -0.87 0.00 0.00 176.83 176.52 1juy n MET 200 N -4.17 1.04 -1.74 4.77 2.81 -0.34 -4.93 117.12 114.56 1juy n MET 200 Ca -0.01 -0.50 -0.40 0.00 -1.81 0.00 0.00 57.70 54.98 1juy n MET 200 Cb 0.35 -1.49 0.03 0.00 -0.71 0.00 0.00 33.22 31.40 1juy n MET 200 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1juy n VAL 201 N -0.54 3.16 -3.76 2.03 0.31 -1.05 -0.36 118.33 118.12 1juy n VAL 201 Ca 0.16 -0.50 -0.10 0.00 -0.01 0.00 0.00 64.34 63.89 1juy n VAL 201 Cb 0.31 -1.72 -0.07 0.00 -0.91 0.00 0.00 33.84 31.45 1juy n VAL 201 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1juy s VAL 202 N -1.23 0.10 -0.96 2.52 0.11 0.08 -4.77 120.40 116.24 1juy s VAL 202 Ca 0.65 -0.85 -0.20 0.00 -2.93 0.00 0.00 61.98 58.66 1juy s VAL 202 Cb -0.45 -1.16 0.11 0.00 -1.53 0.00 0.00 36.38 33.36 1juy s VAL 202 CO 0.54 -0.47 1.23 -0.62 -3.33 0.00 0.00 175.10 172.45 1juy s ASP 203 N -2.58 6.61 0.24 3.54 -1.08 -1.26 -4.39 116.67 117.75 1juy s ASP 203 Ca 0.01 -1.91 -0.05 0.00 -0.52 0.00 0.00 52.55 50.07 1juy s ASP 203 Cb 0.02 -2.45 0.40 0.00 -1.46 0.00 0.00 42.92 39.43 1juy s ASP 203 CO -0.09 -1.18 1.76 0.58 0.52 0.00 0.00 175.17 176.77 1juy h VAL 204 N 6.06 0.78 0.63 1.11 2.07 -1.88 -1.01 116.25 124.00 1juy h VAL 204 Ca 0.18 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1juy h VAL 204 Cb 1.01 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1juy h VAL 204 CO 1.20 0.10 -0.34 0.28 0.02 0.00 0.00 177.57 178.83 1juy h SER 205 N 0.57 -0.83 -0.80 0.57 0.02 -1.86 -0.92 113.55 110.30 1juy h SER 205 Ca 0.38 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.39 1juy h SER 205 Cb 0.48 0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.21 1juy h SER 205 CO -0.32 -0.55 0.53 -0.78 -1.14 0.00 0.00 176.83 174.57 1juy h ASP 206 N -0.90 0.89 0.53 3.07 3.58 -1.87 0.15 116.42 121.87 1juy h ASP 206 Ca -0.08 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.34 1juy h ASP 206 Cb 0.71 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 1juy h ASP 206 CO 0.11 0.63 -0.49 0.25 -2.88 0.00 0.00 179.24 176.86 1juy h LEU 207 N 1.04 -1.34 -1.80 2.28 6.46 -0.97 -0.49 115.31 120.49 1juy h LEU 207 Ca 0.30 0.10 0.05 0.00 -0.12 0.00 0.00 57.88 58.22 1juy h LEU 207 Cb -0.07 0.44 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 1juy h LEU 207 CO -0.07 -0.67 0.24 -0.07 -0.62 0.00 0.00 178.44 177.25 1juy h LEU 208 N -1.02 0.22 0.13 2.25 3.38 -0.26 0.47 115.31 120.47 1juy h LEU 208 Ca -0.06 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1juy h LEU 208 Cb 0.87 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1juy h LEU 208 CO -0.04 0.14 -0.06 -0.78 0.09 0.00 0.00 178.44 177.79 1juy h ASP 209 N 0.25 -0.14 -0.47 -0.43 3.58 -0.26 -0.31 116.42 118.64 1juy h ASP 209 Ca 0.15 -0.22 -0.14 0.00 0.42 0.00 0.00 57.03 57.24 1juy h ASP 209 Cb 0.30 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1juy h ASP 209 CO -0.03 0.15 -0.24 0.06 -2.88 0.00 0.00 179.24 176.30 1juy h GLN 210 N -0.44 1.00 -0.24 0.28 3.07 -0.07 -0.84 115.11 117.87 1juy h GLN 210 Ca -0.02 -0.44 -0.01 0.00 0.09 0.00 0.00 58.65 58.28 1juy h GLN 210 Cb 0.36 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.88 1juy h GLN 210 CO 0.03 1.12 0.12 0.00 0.09 0.00 0.00 178.83 180.19 1juy h ALA 211 N 0.86 1.76 0.46 0.06 0.00 -0.12 -1.36 119.26 120.92 1juy h ALA 211 Ca 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1juy h ALA 211 Cb 0.83 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1juy h ALA 211 CO 0.07 0.20 -0.22 -0.09 0.00 0.00 0.00 179.25 179.21 1juy h ARG 212 N 0.33 -0.59 -0.18 0.00 1.12 -0.57 -0.98 114.38 113.51 1juy h ARG 212 Ca 0.09 0.04 0.05 0.00 -1.11 0.00 0.00 59.98 59.05 1juy h ARG 212 Cb 0.03 0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.12 1juy h ARG 212 CO -0.01 -0.29 0.16 1.96 -3.11 0.00 0.00 179.97 178.68 1juy h GLN 213 N -1.03 0.00 0.00 0.20 4.20 -0.96 0.63 115.11 118.15 1juy h GLN 213 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1juy h GLN 213 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1juy h GLN 213 CO 0.10 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.26 1juy h ARG 214 N 0.00 0.00 0.00 1.46 3.08 -1.18 -3.47 114.38 114.27 1juy h ARG 214 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1juy h ARG 214 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1juy h ARG 214 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1juy n GLY 215 N 0.74 0.66 3.77 0.04 0.00 0.21 -5.03 105.19 105.58 1juy n GLY 215 Ca 0.03 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 1juy n GLY 215 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1juy s ASP 216 N -2.32 5.84 -0.53 1.61 1.01 -0.40 -4.92 116.67 116.98 1juy s ASP 216 Ca 0.00 2.35 -0.28 0.00 0.71 0.00 0.00 52.55 55.33 1juy s ASP 216 Cb 0.00 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.35 1juy s ASP 216 CO 0.00 -1.15 1.35 -0.36 0.21 0.00 0.00 175.17 175.22 1juy s PHE 217 N -1.56 2.41 -0.01 4.23 0.40 -1.26 -4.67 117.98 117.52 1juy s PHE 217 Ca 0.68 0.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.54 1juy s PHE 217 Cb -0.29 -4.41 -0.04 0.00 0.51 0.00 0.00 43.02 38.79 1juy s PHE 217 CO 0.35 -1.84 0.04 0.08 0.70 0.00 0.00 175.22 174.55 1juy s VAL 218 N 5.59 4.48 -0.10 -0.44 1.01 -0.36 -1.90 120.40 128.68 1juy s VAL 218 Ca 0.52 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1juy s VAL 218 Cb -0.10 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.28 1juy s VAL 218 CO 0.27 0.39 -0.14 -0.32 0.00 0.00 0.00 175.10 175.30 1juy s MET 219 N -1.57 2.07 -0.17 2.72 1.75 -0.31 -1.78 119.30 122.02 1juy s MET 219 Ca 0.20 -0.52 -0.06 0.00 -1.25 0.00 0.00 55.69 54.07 1juy s MET 219 Cb -0.12 -1.75 -0.04 0.00 2.84 0.00 0.00 34.83 35.76 1juy s MET 219 CO 0.11 -0.04 0.02 -0.06 -0.65 0.00 0.00 175.02 174.41 1juy s PHE 220 N 0.91 3.17 -0.23 4.11 0.40 -0.63 0.13 117.98 125.83 1juy s PHE 220 Ca -0.09 -0.06 -0.06 0.00 -0.60 0.00 0.00 56.93 56.12 1juy s PHE 220 Cb -0.15 -2.03 -0.02 0.00 0.51 0.00 0.00 43.02 41.33 1juy s PHE 220 CO 0.00 0.09 0.02 -2.00 0.70 0.00 0.00 175.22 174.04 1juy s GLU 221 N 0.33 3.57 0.67 0.44 2.12 0.16 -1.45 118.70 124.54 1juy s GLU 221 Ca 0.01 -0.53 -0.08 0.00 0.36 0.00 0.00 54.97 54.73 1juy s GLU 221 Cb -0.13 -3.18 0.03 0.00 0.26 0.00 0.00 34.13 31.11 1juy s GLU 221 CO 0.01 -0.14 1.01 0.20 -0.54 0.00 0.00 175.26 175.79 1juy s GLY 222 N 1.43 1.63 0.14 -1.50 0.00 -0.04 -3.94 107.32 105.04 1juy s GLY 222 Ca 0.05 -0.66 0.08 0.00 0.00 0.00 0.00 44.72 44.19 1juy s GLY 222 CO 0.01 -0.31 -0.19 0.00 0.00 0.00 0.00 173.10 172.61 1juy s ALA 223 N -3.20 1.92 0.00 3.20 0.00 -1.26 -4.87 121.76 117.54 1juy s ALA 223 Ca 0.57 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1juy s ALA 223 Cb -0.11 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1juy s ALA 223 CO 0.47 0.29 0.00 1.04 0.00 0.00 0.00 175.76 177.56 1juy n GLN 224 N 0.63 0.00 -4.12 0.00 3.00 -1.26 -4.82 117.38 110.82 1juy n GLN 224 Ca -0.16 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.75 1juy n GLN 224 Cb 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.70 1juy n GLN 224 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1juy s GLY 225 N -2.49 0.68 0.28 1.08 0.00 -1.26 -4.02 107.32 101.58 1juy s GLY 225 Ca 0.00 -1.32 -0.07 0.00 0.00 0.00 0.00 44.72 43.33 1juy s GLY 225 CO 0.00 -1.34 1.57 -0.84 0.00 0.00 0.00 173.10 172.48 1juy h THR 226 N 3.03 0.03 0.00 0.90 2.02 -0.70 0.32 112.91 118.51 1juy h THR 226 Ca -0.34 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1juy h THR 226 Cb 1.16 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1juy h THR 226 CO 0.63 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.70 1juy n LEU 227 N -5.60 0.00 -0.72 2.58 4.77 -0.81 -1.75 117.00 115.47 1juy n LEU 227 Ca 0.16 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.23 1juy n LEU 227 Cb 0.52 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.69 1juy n LEU 227 CO -0.10 0.00 0.54 0.18 -1.33 0.00 0.00 177.39 176.68 1juy n LEU 228 N -0.78 2.53 -4.68 2.23 4.77 0.11 -2.07 117.00 119.11 1juy n LEU 228 Ca 0.11 -1.05 -0.45 0.00 -0.03 0.00 0.00 56.01 54.59 1juy n LEU 228 Cb 0.05 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1juy n LEU 228 CO 0.08 0.46 1.14 -0.67 -1.33 0.00 0.00 177.39 177.07 1juy n ASP 229 N 1.00 3.06 -0.22 -1.43 -0.08 -0.72 -0.99 116.55 117.18 1juy n ASP 229 Ca 0.11 1.11 0.13 0.00 -1.51 0.00 0.00 54.79 54.63 1juy n ASP 229 Cb 0.45 -1.45 0.43 0.00 2.34 0.00 0.00 41.12 42.89 1juy n ASP 229 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1juy h ILE 230 N 3.40 0.83 0.00 5.18 6.09 -1.15 0.67 117.51 132.52 1juy h ILE 230 Ca -0.45 -0.20 -0.23 0.00 -1.37 0.00 0.00 64.86 62.62 1juy h ILE 230 Cb 1.26 0.20 -0.03 0.00 0.47 0.00 0.00 36.82 38.71 1juy h ILE 230 CO 0.84 0.11 -1.38 0.47 -3.07 0.00 0.00 178.15 175.11 1juy n ASP 231 N -4.52 1.88 -0.20 2.19 9.92 -1.26 -4.59 116.55 119.97 1juy n ASP 231 Ca 0.16 0.44 0.13 0.00 -0.53 0.00 0.00 54.79 54.98 1juy n ASP 231 Cb 0.48 -0.91 0.33 0.00 -0.64 0.00 0.00 41.12 40.39 1juy n ASP 231 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1juy n HIS 232 N -4.43 0.00 -1.62 1.24 8.25 -1.23 -4.91 115.22 112.52 1juy n HIS 232 Ca -0.31 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.13 1juy n HIS 232 Cb 0.64 -0.14 0.01 0.00 1.12 0.00 0.00 29.99 31.62 1juy n HIS 232 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1juy n GLY 233 N 1.38 -0.27 2.55 -1.41 0.00 0.23 -4.87 105.19 102.80 1juy n GLY 233 Ca 0.11 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 1juy n GLY 233 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1juy n THR 234 N -1.83 3.48 -1.73 2.61 -2.24 -0.88 -4.30 114.28 109.39 1juy n THR 234 Ca 0.01 -2.36 -0.42 0.00 -2.27 0.00 0.00 64.05 59.02 1juy n THR 234 Cb 0.04 -2.49 -0.00 0.00 -2.10 0.00 0.00 70.33 65.78 1juy n THR 234 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1juy n TYR 235 N 4.72 2.50 0.80 4.78 9.36 -1.26 -0.50 117.16 137.55 1juy n TYR 235 Ca 0.62 0.51 0.08 0.00 3.32 0.00 0.00 57.90 62.43 1juy n TYR 235 Cb 0.27 -2.45 0.24 0.00 -0.63 0.00 0.00 39.34 36.77 1juy n TYR 235 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1juy n PRO 236 N 0.41 1.94 -2.00 2.98 -0.04 -1.26 0.72 135.00 137.74 1juy n PRO 236 Ca 0.04 -1.45 -0.42 0.00 -0.04 0.00 0.00 63.50 61.63 1juy n PRO 236 Cb 0.38 -1.36 -0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1juy n PRO 236 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1juy n TYR 237 N 0.67 2.98 -4.41 0.54 4.01 0.34 -4.83 117.16 116.47 1juy n TYR 237 Ca 0.15 -2.88 -0.23 0.00 -0.16 0.00 0.00 57.90 54.78 1juy n TYR 237 Cb 0.37 -2.16 -0.08 0.00 -0.31 0.00 0.00 39.34 37.16 1juy n TYR 237 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1juy s VAL 238 N 1.11 0.24 0.10 -0.72 -7.23 -1.26 -4.48 120.40 108.17 1juy s VAL 238 Ca 0.47 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.66 1juy s VAL 238 Cb 0.13 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 1juy s VAL 238 CO -0.04 0.00 0.22 0.28 -0.31 0.00 0.00 175.10 175.24 1juy s THR 239 N -3.29 5.22 -1.68 5.32 -1.32 -0.16 -5.00 115.64 114.74 1juy s THR 239 Ca 0.31 -0.58 0.00 0.00 -1.21 0.00 0.00 61.69 60.22 1juy s THR 239 Cb 0.02 -3.60 0.00 0.00 -1.51 0.00 0.00 72.50 67.40 1juy s THR 239 CO 0.22 0.04 0.66 -1.20 -2.21 0.00 0.00 174.62 172.13 1juy n SER 240 N -0.03 0.25 -4.46 8.08 7.64 -1.26 -3.02 113.62 120.82 1juy n SER 240 Ca -0.06 -1.57 -0.23 0.00 1.01 0.00 0.00 58.87 58.02 1juy n SER 240 Cb 0.52 -0.13 -0.10 0.00 -1.01 0.00 0.00 64.21 63.49 1juy n SER 240 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1juy s SER 241 N -0.89 3.15 -1.03 6.43 1.04 -1.26 -4.86 113.70 116.28 1juy s SER 241 Ca 0.00 -1.15 -0.21 0.00 0.48 0.00 0.00 55.95 55.07 1juy s SER 241 Cb 0.00 -0.24 0.08 0.00 0.10 0.00 0.00 66.02 65.96 1juy s SER 241 CO 0.00 -0.22 1.38 0.20 0.98 0.00 0.00 173.24 175.58 1juy s ASN 242 N -3.49 6.59 0.00 7.02 0.02 -1.26 -1.44 114.94 122.38 1juy s ASN 242 Ca 0.30 -1.78 0.16 0.00 -1.02 0.00 0.00 52.86 50.52 1juy s ASN 242 Cb 0.02 -2.51 0.94 0.00 0.02 0.00 0.00 41.25 39.71 1juy s ASN 242 CO 0.13 -1.32 1.41 0.35 0.02 0.00 0.00 177.10 177.70 1juy n THR 243 N 6.34 0.15 -2.83 1.60 -2.24 -1.26 -4.09 114.28 111.95 1juy n THR 243 Ca 0.32 0.04 -0.30 0.00 -2.27 0.00 0.00 64.05 61.84 1juy n THR 243 Cb 0.50 -0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 1juy n THR 243 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1juy s THR 244 N -2.16 4.80 0.58 4.28 -4.23 -1.26 -4.53 115.64 113.12 1juy s THR 244 Ca 0.22 0.58 0.41 0.00 -1.18 0.00 0.00 61.69 61.73 1juy s THR 244 Cb 0.11 -3.74 0.61 0.00 1.34 0.00 0.00 72.50 70.82 1juy s THR 244 CO 0.21 -0.55 1.47 0.00 -0.54 0.00 0.00 174.62 175.20 1juy h ALA 245 N 1.16 3.53 0.00 3.99 0.00 -1.85 1.17 119.26 127.27 1juy h ALA 245 Ca -0.47 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1juy h ALA 245 Cb 1.19 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1juy h ALA 245 CO 0.64 -2.18 -0.07 0.78 0.00 0.00 0.00 179.25 178.41 1juy h GLY 246 N 0.00 0.00 1.62 0.00 0.00 -1.89 -2.00 103.07 100.81 1juy h GLY 246 Ca 0.77 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 48.07 1juy h GLY 246 CO -0.01 0.00 0.10 -1.33 0.00 0.00 0.00 176.54 175.30 1juy h GLY 247 N 0.29 0.52 0.07 4.60 0.00 0.13 -2.70 103.07 105.98 1juy h GLY 247 Ca -0.00 -0.25 0.06 0.00 0.00 0.00 0.00 47.33 47.13 1juy h GLY 247 CO 0.01 0.24 -0.31 -2.08 0.00 0.00 0.00 176.54 174.40 1juy h VAL 248 N 0.48 0.28 -0.35 4.60 2.07 -1.50 0.58 116.25 122.41 1juy h VAL 248 Ca 0.12 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.58 1juy h VAL 248 Cb 0.16 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1juy h VAL 248 CO -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.57 1juy h ALA 249 N 0.56 0.48 -0.13 1.67 0.00 -1.65 -2.45 119.26 117.74 1juy h ALA 249 Ca 0.12 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1juy h ALA 249 Cb 0.53 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1juy h ALA 249 CO -0.41 0.26 -0.46 1.79 0.00 0.00 0.00 179.25 180.43 1juy h THR 250 N 0.44 1.33 -0.12 0.00 1.35 -1.07 -2.31 112.91 112.53 1juy h THR 250 Ca 0.10 -1.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.30 1juy h THR 250 Cb 0.48 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1juy h THR 250 CO 0.02 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 1juy n GLY 251 N -0.02 0.22 0.04 5.82 0.00 0.20 -4.44 105.19 107.00 1juy n GLY 251 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1juy n GLY 251 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1juy n SER 252 N 0.29 2.45 0.00 1.61 3.41 -0.93 -0.37 113.62 120.09 1juy n SER 252 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1juy n SER 252 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1juy n SER 252 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1juy n GLY 253 N 2.75 0.79 3.70 5.00 0.00 -0.87 -3.52 105.19 113.04 1juy n GLY 253 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1juy n GLY 253 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1juy s LEU 254 N 0.00 4.29 0.23 0.99 2.96 -1.25 -4.78 118.68 121.11 1juy s LEU 254 Ca 0.00 1.39 -0.32 0.00 -0.22 0.00 0.00 54.13 54.98 1juy s LEU 254 Cb 0.00 -3.35 -0.12 0.00 0.50 0.00 0.00 46.19 43.22 1juy s LEU 254 CO 0.00 -0.28 1.63 0.61 -1.32 0.00 0.00 176.35 176.99 1juy n GLY 255 N 3.12 1.32 0.49 7.98 0.00 -1.26 -4.40 105.19 112.45 1juy n GLY 255 Ca 0.04 0.57 0.39 0.00 0.00 0.00 0.00 46.02 47.01 1juy n GLY 255 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1juy h PRO 256 N 5.77 0.07 0.00 1.61 0.13 -1.94 0.57 132.00 138.21 1juy h PRO 256 Ca -0.45 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1juy h PRO 256 Cb 1.23 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1juy h PRO 256 CO 0.88 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.69 1juy h ARG 257 N 0.07 0.00 -0.13 0.86 3.08 -2.04 -3.07 114.38 113.15 1juy h ARG 257 Ca 0.82 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.87 1juy h ARG 257 Cb 2.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.74 1juy h ARG 257 CO -0.36 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.20 1juy n TYR 258 N -2.64 0.17 -2.88 3.04 4.01 0.20 -4.80 117.16 114.27 1juy n TYR 258 Ca 0.01 -0.09 -0.41 0.00 -0.16 0.00 0.00 57.90 57.25 1juy n TYR 258 Cb 0.23 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.23 1juy n TYR 258 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1juy s VAL 259 N -1.83 4.94 -0.20 -0.72 1.01 -1.16 -4.56 120.40 117.88 1juy s VAL 259 Ca 0.14 1.74 0.03 0.00 0.00 0.00 0.00 61.98 63.90 1juy s VAL 259 Cb 0.07 -4.18 -0.14 0.00 0.00 0.00 0.00 36.38 32.13 1juy s VAL 259 CO 0.10 0.18 -0.15 0.47 0.00 0.00 0.00 175.10 175.70 1juy n ASP 260 N 4.06 2.20 -3.75 3.32 8.00 -0.19 -5.00 116.55 125.19 1juy n ASP 260 Ca 0.03 -0.10 -0.14 0.00 0.71 0.00 0.00 54.79 55.29 1juy n ASP 260 Cb 0.51 -0.15 -0.15 0.00 -0.02 0.00 0.00 41.12 41.31 1juy n ASP 260 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1juy s TYR 261 N -2.41 -0.11 -0.32 1.24 6.14 -0.61 -4.85 117.35 116.43 1juy s TYR 261 Ca -0.25 0.38 -0.02 0.00 0.64 0.00 0.00 57.07 57.82 1juy s TYR 261 Cb 0.07 -0.14 0.06 0.00 0.42 0.00 0.00 41.96 42.37 1juy s TYR 261 CO 0.50 -0.15 0.04 0.08 0.64 0.00 0.00 175.55 176.66 1juy s VAL 262 N 1.18 3.11 -0.28 3.14 1.01 -1.26 0.17 120.40 127.47 1juy s VAL 262 Ca -0.09 -1.45 -0.12 0.00 0.00 0.00 0.00 61.98 60.32 1juy s VAL 262 Cb -0.12 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 1juy s VAL 262 CO -0.05 -0.20 0.25 -0.22 0.00 0.00 0.00 175.10 174.88 1juy s LEU 263 N 1.25 4.04 -0.28 3.92 2.96 0.27 0.63 118.68 131.47 1juy s LEU 263 Ca -0.03 0.08 -0.21 0.00 -0.22 0.00 0.00 54.13 53.75 1juy s LEU 263 Cb -0.20 -2.22 -0.01 0.00 0.50 0.00 0.00 46.19 44.26 1juy s LEU 263 CO -0.01 -0.10 0.64 -0.83 -1.32 0.00 0.00 176.35 174.73 1juy s GLY 264 N 1.72 1.79 -0.16 7.98 0.00 0.32 -2.33 107.32 116.65 1juy s GLY 264 Ca 0.10 -0.51 -0.28 0.00 0.00 0.00 0.00 44.72 44.02 1juy s GLY 264 CO 0.11 1.48 0.98 -0.42 0.00 0.00 0.00 173.10 175.24 1juy s ILE 265 N 2.58 4.77 -0.19 0.90 -1.09 0.45 -1.23 121.20 127.40 1juy s ILE 265 Ca 0.26 1.95 0.01 0.00 -2.23 0.00 0.00 60.65 60.64 1juy s ILE 265 Cb -0.15 -4.27 0.04 0.00 -1.58 0.00 0.00 42.46 36.50 1juy s ILE 265 CO 0.10 -0.05 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.45 1juy s LEU 266 N 2.39 2.11 0.45 2.97 2.96 -0.35 -1.61 118.68 127.60 1juy s LEU 266 Ca 0.45 -0.83 -0.22 0.00 -0.22 0.00 0.00 54.13 53.31 1juy s LEU 266 Cb -0.17 -1.15 -0.09 0.00 0.50 0.00 0.00 46.19 45.28 1juy s LEU 266 CO 0.13 -0.15 1.05 -0.75 -1.32 0.00 0.00 176.35 175.31 1juy s LYS 267 N 1.46 3.94 0.40 1.98 2.20 -1.26 -0.42 119.74 128.03 1juy s LYS 267 Ca -0.01 1.44 0.26 0.00 -0.36 0.00 0.00 55.97 57.30 1juy s LYS 267 Cb -0.16 -2.28 1.40 0.00 -1.51 0.00 0.00 37.83 35.29 1juy s LYS 267 CO -0.08 -0.33 1.78 0.00 -0.36 0.00 0.00 175.35 176.36 1juy h ALA 268 N 1.94 1.02 -2.81 3.13 0.00 -0.12 -3.43 119.26 118.99 1juy h ALA 268 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1juy h ALA 268 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1juy h ALA 268 CO 0.60 -0.02 0.00 2.48 0.00 0.00 0.00 179.25 182.31 1juy n TYR 269 N -2.42 -0.19 -4.35 0.00 4.11 -1.26 -4.37 117.16 108.67 1juy n TYR 269 Ca -0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 57.90 57.64 1juy n TYR 269 Cb 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.29 1juy n TYR 269 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1juy s SER 270 N -0.58 2.94 0.04 9.48 0.01 0.11 -4.62 113.70 121.09 1juy s SER 270 Ca 0.00 -0.80 -0.03 0.00 1.31 0.00 0.00 55.95 56.42 1juy s SER 270 Cb 0.00 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 1juy s SER 270 CO 0.00 0.06 0.04 0.42 0.41 0.00 0.00 173.24 174.17 1juy s THR 271 N -1.59 0.16 -0.01 1.44 -4.23 -1.26 -0.09 115.64 110.06 1juy s THR 271 Ca 0.15 -1.32 -0.03 0.00 -1.18 0.00 0.00 61.69 59.31 1juy s THR 271 Cb -0.08 -1.05 -0.00 0.00 1.34 0.00 0.00 72.50 72.71 1juy s THR 271 CO 0.07 -0.73 0.06 -0.13 -0.54 0.00 0.00 174.62 173.35 1juy s ARG 272 N -3.00 0.24 -0.13 3.99 0.52 -0.23 -4.35 118.95 115.99 1juy s ARG 272 Ca -0.02 -0.21 -0.02 0.00 -0.52 0.00 0.00 55.73 54.97 1juy s ARG 272 Cb 0.01 0.10 0.04 0.00 0.52 0.00 0.00 34.95 35.62 1juy s ARG 272 CO -0.06 -0.05 -0.00 0.54 0.02 0.00 0.00 175.30 175.75 1juy s VAL 273 N -0.70 0.61 0.00 3.52 0.11 -1.26 0.10 120.40 122.78 1juy s VAL 273 Ca -0.08 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 1juy s VAL 273 Cb -0.05 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1juy s VAL 273 CO 0.00 0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.47 1juy n GLY 274 N 5.05 1.07 3.89 6.54 0.00 -1.26 -5.04 105.19 115.44 1juy n GLY 274 Ca -0.09 -2.25 -0.29 0.00 0.00 0.00 0.00 46.02 43.39 1juy n GLY 274 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1juy s ALA 275 N -1.20 3.40 0.00 4.61 0.00 -0.27 -5.00 121.76 123.30 1juy s ALA 275 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1juy s ALA 275 Cb 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.51 1juy s ALA 275 CO 0.00 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1juy n GLY 276 N -1.70 4.38 3.54 0.00 0.00 -1.26 -4.80 105.19 105.35 1juy n GLY 276 Ca 0.01 -1.46 -0.45 0.00 0.00 0.00 0.00 46.02 44.12 1juy n GLY 276 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1juy n PRO 277 N -1.89 0.98 -2.81 1.61 -0.02 -1.26 -4.98 135.00 126.63 1juy n PRO 277 Ca 0.00 0.34 -0.10 0.00 -2.02 0.00 0.00 63.50 61.72 1juy n PRO 277 Cb 0.00 -1.62 0.03 0.00 -0.02 0.00 0.00 33.50 31.89 1juy n PRO 277 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1juy n PHE 278 N 0.13 -2.98 -0.30 6.00 7.35 -1.26 -5.05 117.46 121.35 1juy n PHE 278 Ca 0.12 -1.98 0.18 0.00 -0.76 0.00 0.00 57.45 55.01 1juy n PHE 278 Cb 0.30 1.30 0.35 0.00 0.35 0.00 0.00 39.48 41.79 1juy n PHE 278 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1juy n PRO 279 N 1.71 -0.06 -0.52 -7.13 -0.02 -1.26 -0.72 135.00 126.99 1juy n PRO 279 Ca 0.11 1.29 0.06 0.00 -2.02 0.00 0.00 63.50 62.94 1juy n PRO 279 Cb 0.61 -2.13 0.28 0.00 -0.02 0.00 0.00 33.50 32.24 1juy n PRO 279 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1juy n THR 280 N -5.19 1.54 -1.73 3.45 -2.24 -1.26 -4.52 114.28 104.33 1juy n THR 280 Ca 0.25 -0.91 -0.42 0.00 -2.27 0.00 0.00 64.05 60.69 1juy n THR 280 Cb 0.83 -0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.97 1juy n THR 280 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1juy n GLU 281 N 0.69 2.48 -4.43 -0.78 2.13 0.10 -1.99 120.64 118.85 1juy n GLU 281 Ca 0.20 0.88 -0.33 0.00 0.66 0.00 0.00 57.16 58.56 1juy n GLU 281 Cb 0.77 -2.59 -0.15 0.00 0.27 0.00 0.00 31.44 29.74 1juy n GLU 281 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1juy s LEU 282 N -0.86 2.57 -0.15 4.31 1.43 0.83 -4.91 118.68 121.89 1juy s LEU 282 Ca 0.60 -0.44 0.16 0.00 -1.03 0.00 0.00 54.13 53.42 1juy s LEU 282 Cb -0.53 -1.60 0.45 0.00 0.03 0.00 0.00 46.19 44.54 1juy s LEU 282 CO 0.55 0.07 1.34 0.49 0.23 0.00 0.00 176.35 179.04 1juy n PHE 283 N 4.14 0.69 -3.74 0.29 3.01 -1.26 -4.43 117.46 116.15 1juy n PHE 283 Ca -0.19 -0.86 -0.11 0.00 1.01 0.00 0.00 57.45 57.29 1juy n PHE 283 Cb 0.52 -0.25 -0.00 0.00 -0.01 0.00 0.00 39.48 39.73 1juy n PHE 283 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1juy n ASP 284 N -0.62 1.84 -0.31 4.37 5.75 -1.26 -4.90 116.55 121.43 1juy n ASP 284 Ca 0.19 -1.82 0.13 0.00 -0.01 0.00 0.00 54.79 53.29 1juy n ASP 284 Cb 0.79 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 41.19 1juy n ASP 284 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1juy h GLU 285 N 0.00 0.37 -0.64 0.11 4.39 -1.98 0.88 114.58 117.70 1juy h GLU 285 Ca -0.15 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1juy h GLU 285 Cb 0.54 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 1juy h GLU 285 CO 0.24 0.24 0.36 1.15 -1.16 0.00 0.00 179.01 179.84 1juy h THR 286 N 0.38 1.20 0.36 1.13 2.02 -1.96 0.72 112.91 116.76 1juy h THR 286 Ca 0.56 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 1juy h THR 286 Cb 1.08 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1juy h THR 286 CO -0.54 0.22 -0.31 1.23 0.37 0.00 0.00 175.52 176.49 1juy h GLY 287 N 0.88 -0.74 1.15 2.16 0.00 0.44 0.27 103.07 107.22 1juy h GLY 287 Ca 0.23 0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.90 1juy h GLY 287 CO -0.04 -0.28 0.44 -2.09 0.00 0.00 0.00 176.54 174.57 1juy h GLU 288 N -0.68 1.11 0.29 4.80 4.57 -0.57 -1.07 114.58 123.02 1juy h GLU 288 Ca -0.03 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 1juy h GLU 288 Cb 0.60 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1juy h GLU 288 CO -0.03 0.81 -0.21 0.35 -1.18 0.00 0.00 179.01 178.76 1juy h PHE 289 N 1.12 -0.54 -0.47 0.92 3.57 0.87 0.25 116.94 122.66 1juy h PHE 289 Ca 0.28 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.86 1juy h PHE 289 Cb 0.03 0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.89 1juy h PHE 289 CO 0.01 -0.32 0.05 -0.07 -2.23 0.00 0.00 178.31 175.75 1juy h LEU 290 N -0.49 -0.09 0.53 0.59 3.38 -0.09 0.37 115.31 119.50 1juy h LEU 290 Ca -0.02 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1juy h LEU 290 Cb 0.43 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1juy h LEU 290 CO 0.00 -0.01 -0.50 0.00 0.09 0.00 0.00 178.44 178.02 1juy h LYS 292 N -1.02 -0.79 -0.41 0.00 1.63 -0.11 -1.84 116.57 114.03 1juy h LYS 292 Ca -0.07 0.05 0.06 0.00 -0.85 0.00 0.00 60.65 59.84 1juy h LYS 292 Cb 0.88 0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.67 1juy h LYS 292 CO -0.05 -0.53 0.28 1.96 -3.45 0.00 0.00 179.45 177.66 1juy h GLN 293 N -0.82 0.31 -0.51 1.90 1.08 -0.27 -2.55 115.11 114.24 1juy h GLN 293 Ca -0.02 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1juy h GLN 293 Cb 0.79 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 1juy h GLN 293 CO -0.21 0.20 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 1juy n GLY 294 N -1.52 3.19 4.08 3.46 0.00 -0.57 -4.88 105.19 108.95 1juy n GLY 294 Ca 0.05 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 1juy n GLY 294 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1juy n ASN 295 N 0.45 -2.30 -4.23 1.61 5.15 -0.78 -4.75 115.26 110.40 1juy n ASN 295 Ca 0.26 -1.17 -0.43 0.00 -0.60 0.00 0.00 54.58 52.64 1juy n ASN 295 Cb 1.07 -1.41 0.00 0.00 -0.53 0.00 0.00 39.78 38.91 1juy n ASN 295 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1juy n GLU 296 N -4.53 3.16 -4.38 1.20 -0.58 -0.76 -4.90 120.64 109.84 1juy n GLU 296 Ca -0.16 -3.18 -0.19 0.00 -0.42 0.00 0.00 57.16 53.21 1juy n GLU 296 Cb 0.54 -3.32 -0.14 0.00 -0.57 0.00 0.00 31.44 27.95 1juy n GLU 296 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1juy s PHE 297 N 3.17 1.06 -0.19 -0.32 0.40 -1.26 -0.65 117.98 120.18 1juy s PHE 297 Ca 0.49 -0.29 -0.34 0.00 -0.60 0.00 0.00 56.93 56.19 1juy s PHE 297 Cb 0.07 -0.65 -0.11 0.00 0.51 0.00 0.00 43.02 42.84 1juy s PHE 297 CO 0.01 0.00 2.00 0.41 0.70 0.00 0.00 175.22 178.35 1juy n GLY 298 N 2.28 1.11 0.00 4.36 0.00 0.76 -4.82 105.19 108.88 1juy n GLY 298 Ca -0.16 0.88 0.01 0.00 0.00 0.00 0.00 46.02 46.74 1juy n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1juy n ALA 299 N 8.13 1.57 0.00 4.61 0.00 -1.26 0.10 120.51 133.67 1juy n ALA 299 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1juy n ALA 299 Cb 0.29 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1juy n ALA 299 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1juy n THR 300 N -0.82 0.00 0.46 0.00 -1.04 -1.26 -4.65 114.28 106.97 1juy n THR 300 Ca 0.01 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.07 1juy n THR 300 Cb 0.00 -0.42 -0.07 0.00 -1.82 0.00 0.00 70.33 68.03 1juy n THR 300 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1juy n THR 301 N -2.16 0.00 -0.95 12.58 -2.24 -1.16 -4.99 114.28 115.36 1juy n THR 301 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1juy n THR 301 Cb 0.21 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 1juy n THR 301 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1juy n GLY 302 N 1.33 0.42 3.76 3.38 0.00 0.12 -4.91 105.19 109.29 1juy n GLY 302 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1juy n GLY 302 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1juy s ARG 303 N -0.59 2.65 0.10 1.61 0.52 -1.26 -4.37 118.95 117.61 1juy s ARG 303 Ca 0.00 1.43 -0.30 0.00 -0.52 0.00 0.00 55.73 56.34 1juy s ARG 303 Cb 0.00 -1.93 -0.06 0.00 0.52 0.00 0.00 34.95 33.48 1juy s ARG 303 CO 0.00 -1.37 1.18 0.50 0.02 0.00 0.00 175.30 175.63 1juy s ARG 304 N -4.11 4.47 0.31 3.54 3.52 -1.26 -0.17 118.95 125.25 1juy s ARG 304 Ca 0.68 1.77 -0.14 0.00 -0.13 0.00 0.00 55.73 57.91 1juy s ARG 304 Cb -0.22 -3.32 -0.09 0.00 -1.56 0.00 0.00 34.95 29.77 1juy s ARG 304 CO 0.43 -0.17 0.70 1.03 -0.81 0.00 0.00 175.30 176.48 1juy s ARG 305 N 0.59 3.95 0.28 5.12 0.52 0.17 -4.86 118.95 124.73 1juy s ARG 305 Ca 0.56 0.59 -0.21 0.00 -0.52 0.00 0.00 55.73 56.15 1juy s ARG 305 Cb -0.30 -2.47 -0.09 0.00 0.52 0.00 0.00 34.95 32.61 1juy s ARG 305 CO 0.31 0.17 0.81 1.03 0.02 0.00 0.00 175.30 177.65 1juy s ARG 306 N -3.00 4.31 0.19 3.54 0.52 0.28 -4.89 118.95 119.91 1juy s ARG 306 Ca 0.53 1.00 0.10 0.00 -0.52 0.00 0.00 55.73 56.84 1juy s ARG 306 Cb -0.10 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.59 1juy s ARG 306 CO 0.19 0.29 -0.21 0.95 0.02 0.00 0.00 175.30 176.54 1juy s THR 307 N -1.67 2.13 0.23 0.02 -4.23 -1.26 -1.07 115.64 109.80 1juy s THR 307 Ca 0.48 -2.04 -0.21 0.00 -1.18 0.00 0.00 61.69 58.74 1juy s THR 307 Cb -0.16 -2.03 0.06 0.00 1.34 0.00 0.00 72.50 71.72 1juy s THR 307 CO 0.21 -0.25 0.93 -0.83 -0.54 0.00 0.00 174.62 174.14 1juy s GLY 308 N -2.80 0.06 0.75 3.99 0.00 0.87 -0.12 107.32 110.08 1juy s GLY 308 Ca 0.20 -0.31 -0.11 0.00 0.00 0.00 0.00 44.72 44.50 1juy s GLY 308 CO 0.09 0.88 1.08 -0.98 0.00 0.00 0.00 173.10 174.17 1juy s TRP 309 N -2.66 2.98 0.18 1.90 0.52 -0.84 0.10 118.94 121.11 1juy s TRP 309 Ca 0.17 1.23 -0.31 0.00 0.02 0.00 0.00 56.10 57.20 1juy s TRP 309 Cb -0.03 -3.03 -0.10 0.00 -1.15 0.00 0.00 33.47 29.16 1juy s TRP 309 CO 0.06 -1.53 1.51 -1.17 0.02 0.00 0.00 176.95 175.85 1juy s LEU 310 N -5.65 4.37 -0.37 2.99 2.96 -1.26 -3.66 118.68 118.06 1juy s LEU 310 Ca 0.60 2.59 -0.11 0.00 -0.22 0.00 0.00 54.13 56.99 1juy s LEU 310 Cb -0.14 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 42.98 1juy s LEU 310 CO 0.54 -0.77 0.20 -0.62 -1.32 0.00 0.00 176.35 174.38 1juy s ASP 311 N 0.96 5.72 0.22 3.68 -1.08 -1.26 -2.17 116.67 122.73 1juy s ASP 311 Ca 0.67 -0.95 0.11 0.00 -0.52 0.00 0.00 52.55 51.85 1juy s ASP 311 Cb -0.42 -2.02 0.07 0.00 -1.46 0.00 0.00 42.92 39.09 1juy s ASP 311 CO 0.34 -0.37 1.44 0.74 0.52 0.00 0.00 175.17 177.84 1juy h THR 312 N 5.86 1.38 0.54 1.71 2.02 -1.70 -2.08 112.91 120.64 1juy h THR 312 Ca -0.26 -2.67 -0.03 0.00 0.77 0.00 0.00 66.41 64.22 1juy h THR 312 Cb 1.11 2.50 0.01 0.00 -1.74 0.00 0.00 68.15 70.03 1juy h THR 312 CO 0.66 0.73 -0.26 0.58 0.37 0.00 0.00 175.52 177.60 1juy h VAL 313 N 0.00 0.40 -0.48 3.16 2.07 -1.82 -1.98 116.25 117.59 1juy h VAL 313 Ca -0.01 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 1juy h VAL 313 Cb 1.44 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1juy h VAL 313 CO 0.10 0.04 0.03 0.00 0.02 0.00 0.00 177.57 177.76 1juy h ALA 314 N -0.58 1.15 -0.28 1.67 0.00 -1.92 -2.60 119.26 116.69 1juy h ALA 314 Ca -0.07 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1juy h ALA 314 Cb 0.62 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1juy h ALA 314 CO 0.12 0.55 0.19 0.28 0.00 0.00 0.00 179.25 180.39 1juy h VAL 315 N 0.73 1.05 0.00 0.00 2.07 -1.25 0.12 116.25 118.98 1juy h VAL 315 Ca 0.15 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1juy h VAL 315 Cb 0.41 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1juy h VAL 315 CO 0.01 0.06 0.00 0.03 0.02 0.00 0.00 177.57 177.70 1juy h ARG 316 N 0.34 0.00 -0.17 1.57 3.08 -0.96 0.16 114.38 118.40 1juy h ARG 316 Ca 0.11 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1juy h ARG 316 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1juy h ARG 316 CO -0.02 0.00 -0.24 -0.09 -1.07 0.00 0.00 179.97 178.54 1juy h ARG 317 N 0.00 0.47 -0.31 0.04 9.65 -0.70 -2.86 114.38 120.67 1juy h ARG 317 Ca 0.00 -0.28 0.05 0.00 -1.10 0.00 0.00 59.98 58.65 1juy h ARG 317 Cb 0.66 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.22 1juy h ARG 317 CO 0.00 0.87 0.04 0.00 2.80 0.00 0.00 179.97 183.68 1juy h ALA 318 N 0.60 0.31 -0.34 2.80 0.00 -0.67 -0.43 119.26 121.52 1juy h ALA 318 Ca 0.02 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1juy h ALA 318 Cb 0.81 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 1juy h ALA 318 CO 0.06 -0.37 -0.49 0.28 0.00 0.00 0.00 179.25 178.73 1juy h VAL 319 N 0.14 0.00 -0.39 0.00 2.07 -0.61 -0.61 116.25 116.86 1juy h VAL 319 Ca 0.15 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.59 1juy h VAL 319 Cb 0.17 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 1juy h VAL 319 CO -0.21 0.00 -0.07 0.06 0.02 0.00 0.00 177.57 177.37 1juy h GLN 320 N -0.36 0.74 -0.81 1.57 3.07 -1.33 -1.62 115.11 116.36 1juy h GLN 320 Ca 0.06 -0.27 0.05 0.00 0.09 0.00 0.00 58.65 58.58 1juy h GLN 320 Cb 0.53 -0.05 -0.06 0.00 0.08 0.00 0.00 27.48 27.98 1juy h GLN 320 CO -0.51 0.87 0.50 -0.07 0.09 0.00 0.00 178.83 179.70 1juy h LEU 321 N 0.55 0.80 0.00 0.06 3.38 -0.85 -3.21 115.31 116.04 1juy h LEU 321 Ca 0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1juy h LEU 321 Cb 0.58 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1juy h LEU 321 CO 0.03 0.52 -0.64 0.59 0.09 0.00 0.00 178.44 179.04 1juy n ASN 322 N -4.64 0.59 -2.22 -0.43 3.02 -0.25 -4.65 115.26 106.68 1juy n ASN 322 Ca 0.11 -0.13 -0.15 0.00 -0.03 0.00 0.00 54.58 54.37 1juy n ASN 322 Cb 0.15 0.32 0.03 0.00 -0.61 0.00 0.00 39.78 39.67 1juy n ASN 322 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1juy n SER 323 N -1.78 -4.73 -4.51 6.41 7.64 -0.63 -4.74 113.62 111.29 1juy n SER 323 Ca 0.04 -0.23 -0.48 0.00 1.01 0.00 0.00 58.87 59.21 1juy n SER 323 Cb 0.39 -3.53 -0.03 0.00 -1.01 0.00 0.00 64.21 60.02 1juy n SER 323 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1juy n LEU 324 N -2.97 0.47 -0.07 -3.43 4.77 -1.09 -4.44 117.00 110.24 1juy n LEU 324 Ca -0.06 1.15 -0.08 0.00 -0.03 0.00 0.00 56.01 57.00 1juy n LEU 324 Cb 0.57 -1.12 -0.11 0.00 -2.33 0.00 0.00 43.42 40.44 1juy n LEU 324 CO 0.35 -2.01 -0.98 -1.20 -1.33 0.00 0.00 177.39 172.22 1juy n SER 325 N 1.70 1.64 -3.77 -1.43 7.64 0.21 -4.89 113.62 114.72 1juy n SER 325 Ca 0.15 -0.01 -0.06 0.00 1.01 0.00 0.00 58.87 59.95 1juy n SER 325 Cb 0.26 0.71 -0.02 0.00 -1.01 0.00 0.00 64.21 64.15 1juy n SER 325 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1juy s GLY 326 N -4.87 -0.20 0.13 0.23 0.00 -1.00 -4.55 107.32 97.05 1juy s GLY 326 Ca -0.09 -0.01 0.09 0.00 0.00 0.00 0.00 44.72 44.70 1juy s GLY 326 CO 0.56 -0.01 -0.15 -1.36 0.00 0.00 0.00 173.10 172.13 1juy s PHE 327 N -3.61 2.59 -0.28 1.90 0.08 -0.80 0.12 117.98 117.97 1juy s PHE 327 Ca 0.10 -0.24 -0.01 0.00 0.12 0.00 0.00 56.93 56.91 1juy s PHE 327 Cb -0.04 -1.35 0.04 0.00 -0.57 0.00 0.00 43.02 41.11 1juy s PHE 327 CO 0.03 0.42 -0.03 0.00 -0.10 0.00 0.00 175.22 175.54 1juy s LEU 329 N 1.26 3.90 0.16 0.00 2.96 0.23 -1.21 118.68 125.99 1juy s LEU 329 Ca -0.04 0.25 0.05 0.00 -0.22 0.00 0.00 54.13 54.17 1juy s LEU 329 Cb -0.19 -3.30 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 1juy s LEU 329 CO -0.02 -1.09 0.14 0.42 -1.32 0.00 0.00 176.35 174.47 1juy s THR 330 N 3.93 4.53 -1.52 3.68 -4.23 0.44 -0.55 115.64 121.92 1juy s THR 330 Ca 0.40 -1.05 -0.03 0.00 -1.18 0.00 0.00 61.69 59.83 1juy s THR 330 Cb -0.09 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.44 1juy s THR 330 CO 0.27 -0.10 0.37 0.29 -0.54 0.00 0.00 174.62 174.91 1juy n LYS 331 N -0.32 -3.49 -0.19 3.99 5.02 -1.08 0.57 118.16 122.67 1juy n LYS 331 Ca -0.08 0.88 -0.04 0.00 -2.02 0.00 0.00 58.31 57.05 1juy n LYS 331 Cb 0.55 -5.54 0.06 0.00 -0.02 0.00 0.00 35.03 30.07 1juy n LYS 331 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1juy h LEU 332 N -0.84 0.46 -1.17 -0.35 5.85 -1.82 -2.24 115.31 115.21 1juy h LEU 332 Ca -0.48 0.02 0.30 0.00 0.84 0.00 0.00 57.88 58.56 1juy h LEU 332 Cb 1.34 -0.07 -0.12 0.00 0.37 0.00 0.00 40.66 42.18 1juy h LEU 332 CO 0.53 0.32 0.65 -2.24 -0.34 0.00 0.00 178.44 177.35 1juy h ASP 333 N 0.59 0.50 0.02 1.25 2.03 -1.87 0.44 116.42 119.39 1juy h ASP 333 Ca 0.24 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.68 1juy h ASP 333 Cb 0.11 0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.68 1juy h ASP 333 CO -0.15 -0.01 0.00 0.58 -1.03 0.00 0.00 179.24 178.64 1juy h VAL 334 N 0.39 0.00 0.00 4.15 2.07 -1.74 -1.13 116.25 119.99 1juy h VAL 334 Ca 0.68 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 68.19 1juy h VAL 334 Cb 1.62 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1juy h VAL 334 CO -0.45 0.00 -0.29 -0.07 0.02 0.00 0.00 177.57 176.78 1juy h LEU 335 N 0.00 0.00 -9.39 2.57 3.38 -0.24 -3.47 115.31 108.16 1juy h LEU 335 Ca 0.00 -0.06 -0.62 0.00 0.09 0.00 0.00 57.88 57.29 1juy h LEU 335 Cb 0.01 0.00 0.10 0.00 0.09 0.00 0.00 40.66 40.87 1juy h LEU 335 CO 0.00 0.03 0.08 0.47 0.09 0.00 0.00 178.44 179.11 1juy n ASP 336 N -2.48 1.02 0.00 -0.43 8.00 -0.43 -2.59 116.55 119.64 1juy n ASP 336 Ca 0.04 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.71 1juy n ASP 336 Cb 0.47 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 1juy n ASP 336 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1juy n GLY 337 N 1.47 2.90 3.75 0.44 0.00 -0.14 -5.04 105.19 108.57 1juy n GLY 337 Ca 0.12 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1juy n GLY 337 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1juy s LEU 338 N 0.00 4.35 0.09 0.99 1.43 -1.07 -4.88 118.68 119.60 1juy s LEU 338 Ca 0.00 2.91 -0.16 0.00 -1.03 0.00 0.00 54.13 55.85 1juy s LEU 338 Cb 0.00 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.50 1juy s LEU 338 CO 0.00 -0.90 1.44 0.11 0.23 0.00 0.00 176.35 177.22 1juy h LYS 339 N 5.14 0.60 -4.28 1.70 1.79 -1.91 -3.06 116.57 116.54 1juy h LYS 339 Ca -0.46 -0.28 -0.24 0.00 -2.18 0.00 0.00 60.65 57.49 1juy h LYS 339 Cb 1.22 -0.01 -0.22 0.00 -1.58 0.00 0.00 32.23 31.64 1juy h LYS 339 CO 0.81 0.86 -0.72 -1.21 -1.08 0.00 0.00 179.45 178.11 1juy s GLU 340 N -4.51 0.41 -0.05 3.15 2.02 -1.26 0.74 118.70 119.19 1juy s GLU 340 Ca -0.13 -0.61 0.05 0.00 0.02 0.00 0.00 54.97 54.30 1juy s GLU 340 Cb 0.08 -0.14 -0.00 0.00 0.10 0.00 0.00 34.13 34.17 1juy s GLU 340 CO 0.80 0.02 -0.20 0.14 0.02 0.00 0.00 175.26 176.04 1juy s VAL 341 N -1.22 1.64 0.09 2.63 -7.23 0.14 -4.74 120.40 111.71 1juy s VAL 341 Ca -0.11 -0.83 0.05 0.00 -1.81 0.00 0.00 61.98 59.29 1juy s VAL 341 Cb -0.09 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 1juy s VAL 341 CO -0.00 0.46 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.70 1juy s LYS 342 N 0.01 2.52 -0.05 4.82 1.02 -1.26 0.05 119.74 126.85 1juy s LYS 342 Ca -0.05 -0.85 -0.01 0.00 0.02 0.00 0.00 55.97 55.09 1juy s LYS 342 Cb -0.13 -2.52 0.03 0.00 -0.52 0.00 0.00 37.83 34.69 1juy s LYS 342 CO 0.03 0.54 0.01 -0.48 -0.92 0.00 0.00 175.35 174.53 1juy s LEU 343 N -2.26 0.76 -0.06 3.17 2.34 -0.17 -4.14 118.68 118.33 1juy s LEU 343 Ca 0.25 -0.02 -0.30 0.00 0.06 0.00 0.00 54.13 54.12 1juy s LEU 343 Cb -0.12 -0.28 -0.04 0.00 -0.56 0.00 0.00 46.19 45.19 1juy s LEU 343 CO 0.17 -0.16 1.42 0.00 -1.06 0.00 0.00 176.35 176.72 1juy n VAL 345 N 5.04 0.00 -3.77 0.00 0.24 0.20 -1.73 118.33 118.31 1juy n VAL 345 Ca 0.14 -0.26 -0.09 0.00 -2.04 0.00 0.00 64.34 62.09 1juy n VAL 345 Cb 0.44 0.52 -0.03 0.00 -1.47 0.00 0.00 33.84 33.30 1juy n VAL 345 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1juy s ALA 346 N -2.90 -1.10 -0.07 2.33 0.00 -1.03 -4.65 121.76 114.33 1juy s ALA 346 Ca -0.01 -0.22 0.04 0.00 0.00 0.00 0.00 51.96 51.77 1juy s ALA 346 Cb 0.12 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 24.10 1juy s ALA 346 CO 0.70 -0.92 -0.19 0.71 0.00 0.00 0.00 175.76 176.06 1juy s TYR 347 N -3.89 2.61 -0.43 0.00 2.02 0.49 0.18 117.35 118.33 1juy s TYR 347 Ca 0.10 -0.54 -0.14 0.00 -0.37 0.00 0.00 57.07 56.11 1juy s TYR 347 Cb -0.03 -1.67 0.05 0.00 -0.40 0.00 0.00 41.96 39.90 1juy s TYR 347 CO 0.02 -0.10 0.33 0.50 -1.57 0.00 0.00 175.55 174.72 1juy s ARG 348 N -0.19 2.94 0.64 -0.62 6.06 0.24 0.07 118.95 128.09 1juy s ARG 348 Ca -0.01 -1.19 -0.17 0.00 -2.50 0.00 0.00 55.73 51.85 1juy s ARG 348 Cb -0.13 -4.01 -0.01 0.00 0.06 0.00 0.00 34.95 30.86 1juy s ARG 348 CO 0.03 -0.87 1.20 -1.64 -2.50 0.00 0.00 175.30 171.52 1juy s MET 349 N 1.64 2.71 0.00 5.12 -1.94 0.93 -1.39 119.30 126.37 1juy s MET 349 Ca 0.04 1.76 0.03 0.00 -1.71 0.00 0.00 55.69 55.81 1juy s MET 349 Cb -0.21 -1.90 0.15 0.00 2.01 0.00 0.00 34.83 34.87 1juy s MET 349 CO 0.08 -1.40 1.06 -2.30 -0.01 0.00 0.00 175.02 172.45 1juy n PRO 350 N -2.02 0.01 -0.06 2.03 -0.02 -1.26 -0.75 135.00 132.94 1juy n PRO 350 Ca 0.13 0.40 0.12 0.00 -2.02 0.00 0.00 63.50 62.13 1juy n PRO 350 Cb 0.50 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.61 1juy n PRO 350 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1juy n ASP 351 N -1.45 3.13 0.00 2.55 5.75 -1.26 -4.98 116.55 120.29 1juy n ASP 351 Ca 0.01 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1juy n ASP 351 Cb 0.04 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1juy n ASP 351 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1juy n GLY 352 N 1.39 2.83 3.77 6.12 0.00 0.07 -5.08 105.19 114.29 1juy n GLY 352 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1juy n GLY 352 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1juy s ARG 353 N -0.50 4.13 -0.24 1.61 0.52 -1.26 -4.70 118.95 118.51 1juy s ARG 353 Ca 0.00 1.78 -0.17 0.00 -0.52 0.00 0.00 55.73 56.82 1juy s ARG 353 Cb 0.00 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.74 1juy s ARG 353 CO 0.00 -0.24 0.47 -2.00 0.02 0.00 0.00 175.30 173.55 1juy s GLU 354 N -2.25 4.10 0.15 3.54 2.12 -1.26 -0.05 118.70 125.06 1juy s GLU 354 Ca 0.56 0.27 0.07 0.00 0.36 0.00 0.00 54.97 56.24 1juy s GLU 354 Cb -0.29 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.44 1juy s GLU 354 CO 0.37 -0.25 -0.16 0.54 -0.54 0.00 0.00 175.26 175.22 1juy s VAL 355 N 1.97 1.62 -0.14 3.70 0.11 0.11 -4.98 120.40 122.79 1juy s VAL 355 Ca 0.20 -1.89 0.17 0.00 -2.93 0.00 0.00 61.98 57.53 1juy s VAL 355 Cb -0.15 -1.76 0.31 0.00 -1.53 0.00 0.00 36.38 33.25 1juy s VAL 355 CO 0.09 -0.40 1.16 0.35 -3.33 0.00 0.00 175.10 172.97 1juy n THR 356 N 0.27 1.89 -4.52 5.04 -2.24 -1.26 -0.38 114.28 113.09 1juy n THR 356 Ca -0.13 -2.41 -0.25 0.00 -2.27 0.00 0.00 64.05 58.99 1juy n THR 356 Cb 0.58 -0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.49 1juy n THR 356 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1juy s THR 357 N -2.86 2.10 0.22 4.28 2.01 -1.26 -4.87 115.64 115.26 1juy s THR 357 Ca 0.32 -2.19 0.08 0.00 0.31 0.00 0.00 61.69 60.21 1juy s THR 357 Cb 0.29 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 1juy s THR 357 CO 0.01 -0.23 0.07 0.42 -0.69 0.00 0.00 174.62 174.20 1juy s THR 358 N -2.71 3.94 0.95 -0.82 -4.23 -1.26 -4.85 115.64 106.66 1juy s THR 358 Ca 0.32 -1.51 -0.13 0.00 -1.18 0.00 0.00 61.69 59.19 1juy s THR 358 Cb 0.03 -3.06 0.16 0.00 1.34 0.00 0.00 72.50 70.97 1juy s THR 358 CO 0.15 -0.25 1.15 -2.84 -0.54 0.00 0.00 174.62 172.29 1juy s PRO 359 N -3.40 0.84 0.00 3.99 0.02 -1.26 -5.08 135.00 130.11 1juy s PRO 359 Ca 0.30 0.22 0.00 0.00 0.02 0.00 0.00 61.00 61.55 1juy s PRO 359 Cb -0.08 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.63 1juy s PRO 359 CO 0.21 -2.39 0.00 1.28 -0.33 0.00 0.00 177.00 175.77 1juy n LEU 360 N -3.89 0.00 -4.71 -5.54 4.77 -1.26 -4.98 117.00 101.39 1juy n LEU 360 Ca 0.08 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.71 1juy n LEU 360 Cb 0.59 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.79 1juy n LEU 360 CO 0.55 0.00 0.82 0.00 -1.33 0.00 0.00 177.39 177.43 1juy n ALA 361 N -2.11 0.43 -0.17 -1.18 0.00 -1.26 -3.93 120.51 112.29 1juy n ALA 361 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 53.44 53.21 1juy n ALA 361 Cb 0.00 -2.28 0.07 0.00 0.00 0.00 0.00 19.45 17.24 1juy n ALA 361 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1juy h ALA 362 N -0.35 0.64 -0.94 0.00 0.00 0.15 -2.37 119.26 116.39 1juy h ALA 362 Ca -0.48 0.07 0.18 0.00 0.00 0.00 0.00 54.91 54.68 1juy h ALA 362 Cb 1.32 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.04 1juy h ALA 362 CO 0.49 -0.21 0.53 -0.44 0.00 0.00 0.00 179.25 179.62 1juy h ASP 363 N 0.37 0.65 0.05 0.00 3.32 -1.91 0.16 116.42 119.05 1juy h ASP 363 Ca 0.25 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1juy h ASP 363 Cb 0.27 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1juy h ASP 363 CO -0.25 0.23 0.00 0.47 -1.72 0.00 0.00 179.24 177.96 1juy n ASP 364 N -4.83 0.00 -0.09 6.45 9.92 -0.89 -1.89 116.55 125.21 1juy n ASP 364 Ca 0.21 -0.37 0.09 0.00 -0.53 0.00 0.00 54.79 54.20 1juy n ASP 364 Cb 0.54 -0.05 -0.09 0.00 -0.64 0.00 0.00 41.12 40.88 1juy n ASP 364 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1juy n TRP 365 N -1.05 0.00 0.00 1.24 7.02 0.55 -4.79 117.44 120.41 1juy n TRP 365 Ca 0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.58 1juy n TRP 365 Cb 0.06 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.95 1juy n TRP 365 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1juy n LYS 366 N -1.19 0.00 0.00 -0.99 4.81 -0.79 -2.10 118.16 117.90 1juy n LYS 366 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1juy n LYS 366 Cb 0.33 -0.11 0.00 0.00 0.02 0.00 0.00 35.03 35.27 1juy n LYS 366 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1juy n GLY 367 N 0.00 -0.21 3.75 3.14 0.00 -1.26 -4.89 105.19 105.73 1juy n GLY 367 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1juy n GLY 367 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1juy n VAL 368 N -0.32 1.67 -4.87 1.61 0.31 -0.89 -4.39 118.33 111.44 1juy n VAL 368 Ca 0.00 -0.42 -0.27 0.00 -0.01 0.00 0.00 64.34 63.64 1juy n VAL 368 Cb 0.05 -1.91 -0.15 0.00 -0.91 0.00 0.00 33.84 30.92 1juy n VAL 368 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1juy s GLU 369 N -1.54 1.62 0.06 5.55 0.41 -0.48 -4.90 118.70 119.42 1juy s GLU 369 Ca 0.57 -0.91 -0.23 0.00 -0.41 0.00 0.00 54.97 53.99 1juy s GLU 369 Cb -0.50 -1.68 -0.06 0.00 -1.78 0.00 0.00 34.13 30.11 1juy s GLU 369 CO 0.59 0.44 0.70 -1.25 -0.49 0.00 0.00 175.26 175.25 1juy s PRO 370 N -0.93 4.43 -0.24 0.39 0.04 -1.26 0.79 135.00 138.22 1juy s PRO 370 Ca 0.09 0.97 -0.05 0.00 0.04 0.00 0.00 61.00 62.04 1juy s PRO 370 Cb -0.09 -3.32 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 1juy s PRO 370 CO 0.01 0.41 0.01 0.42 0.04 0.00 0.00 177.00 177.89 1juy s ILE 371 N -0.46 3.72 0.41 0.56 1.01 0.13 -4.89 121.20 121.69 1juy s ILE 371 Ca 0.35 -0.45 0.05 0.00 0.00 0.00 0.00 60.65 60.60 1juy s ILE 371 Cb -0.20 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.52 1juy s ILE 371 CO 0.22 0.34 0.58 -0.31 0.00 0.00 0.00 174.94 175.77 1juy s TYR 372 N 1.52 3.00 -0.10 3.97 2.02 -1.26 0.59 117.35 127.09 1juy s TYR 372 Ca 0.05 -0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.61 1juy s TYR 372 Cb -0.15 -2.29 0.02 0.00 -0.40 0.00 0.00 41.96 39.14 1juy s TYR 372 CO -0.00 -0.33 -0.13 -1.21 -1.57 0.00 0.00 175.55 172.31 1juy s GLU 373 N -4.39 1.96 -0.25 -0.62 2.02 -0.00 -4.78 118.70 112.64 1juy s GLU 373 Ca 0.50 -0.46 -0.07 0.00 0.02 0.00 0.00 54.97 54.96 1juy s GLU 373 Cb -0.10 -1.71 -0.03 0.00 0.10 0.00 0.00 34.13 32.39 1juy s GLU 373 CO 0.34 -0.09 0.07 0.99 0.02 0.00 0.00 175.26 176.60 1juy s THR 374 N 1.06 4.35 0.21 3.63 2.01 -1.26 -1.00 115.64 124.64 1juy s THR 374 Ca -0.06 -0.16 0.09 0.00 0.31 0.00 0.00 61.69 61.87 1juy s THR 374 Cb -0.15 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1juy s THR 374 CO -0.02 0.34 -0.06 -0.04 -0.69 0.00 0.00 174.62 174.15 1juy s MET 375 N 1.60 2.17 0.33 4.92 1.00 0.11 -4.95 119.30 124.47 1juy s MET 375 Ca 0.06 -1.30 -0.29 0.00 0.00 0.00 0.00 55.69 54.16 1juy s MET 375 Cb -0.15 -2.18 -0.11 0.00 0.00 0.00 0.00 34.83 32.39 1juy s MET 375 CO 0.04 0.41 1.52 -2.14 0.00 0.00 0.00 175.02 174.86 1juy s PRO 376 N -3.11 4.14 0.00 2.03 0.02 -1.26 0.28 135.00 137.09 1juy s PRO 376 Ca 0.27 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.84 1juy s PRO 376 Cb -0.08 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1juy s PRO 376 CO 0.17 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.70 1juy n GLY 377 N 1.35 -0.56 3.09 0.52 0.00 0.23 -4.52 105.19 105.29 1juy n GLY 377 Ca 0.04 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 1juy n GLY 377 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1juy s TRP 378 N -0.41 -0.13 -0.02 1.61 -2.14 -1.15 -4.80 118.94 111.88 1juy s TRP 378 Ca 0.00 0.31 -0.02 0.00 2.66 0.00 0.00 56.10 59.06 1juy s TRP 378 Cb 0.00 0.04 -0.27 0.00 -3.10 0.00 0.00 33.47 30.14 1juy s TRP 378 CO 0.00 -0.17 0.74 1.03 -2.66 0.00 0.00 176.95 175.90 1juy h SER 379 N 5.29 0.34 -3.80 -2.66 0.87 -1.90 -0.34 113.55 111.36 1juy h SER 379 Ca -0.27 -0.54 -0.54 0.00 -1.23 0.00 0.00 61.79 59.21 1juy h SER 379 Cb 1.19 -0.11 0.20 0.00 -0.44 0.00 0.00 62.40 63.24 1juy h SER 379 CO 0.39 1.46 -0.08 -0.62 -0.53 0.00 0.00 176.83 177.46 1juy n GLU 380 N -3.40 -0.03 -3.02 2.24 4.71 -1.26 -4.48 120.64 115.39 1juy n GLU 380 Ca -0.19 0.06 -0.39 0.00 -0.01 0.00 0.00 57.16 56.62 1juy n GLU 380 Cb 1.05 -2.15 -0.06 0.00 -1.01 0.00 0.00 31.44 29.27 1juy n GLU 380 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1juy s SER 381 N -2.05 7.28 -0.10 1.62 0.15 -1.26 -4.64 113.70 114.70 1juy s SER 381 Ca 0.66 1.52 0.08 0.00 0.70 0.00 0.00 55.95 58.92 1juy s SER 381 Cb -0.27 -2.47 -0.12 0.00 -1.71 0.00 0.00 66.02 61.45 1juy s SER 381 CO 0.58 0.16 0.02 0.41 1.20 0.00 0.00 173.24 175.61 1juy n THR 382 N 2.02 0.70 -1.55 6.45 -1.04 -1.26 -4.93 114.28 114.66 1juy n THR 382 Ca -0.05 -0.42 -0.55 0.00 -2.04 0.00 0.00 64.05 60.99 1juy n THR 382 Cb 0.49 -0.75 -0.07 0.00 -1.82 0.00 0.00 70.33 68.19 1juy n THR 382 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1juy n PHE 383 N -2.41 1.16 -0.16 -1.42 7.35 -1.26 -0.96 117.46 119.76 1juy n PHE 383 Ca -0.17 0.81 0.00 0.00 -0.76 0.00 0.00 57.45 57.33 1juy n PHE 383 Cb 0.82 -2.23 0.00 0.00 0.35 0.00 0.00 39.48 38.42 1juy n PHE 383 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1juy n GLY 384 N 2.11 2.20 3.77 7.13 0.00 0.34 -5.00 105.19 115.74 1juy n GLY 384 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1juy n GLY 384 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1juy s VAL 385 N -2.81 2.58 -0.08 1.61 1.01 -0.14 -4.69 120.40 117.90 1juy s VAL 385 Ca 0.00 0.58 0.15 0.00 0.00 0.00 0.00 61.98 62.71 1juy s VAL 385 Cb 0.00 -3.37 0.31 0.00 0.00 0.00 0.00 36.38 33.32 1juy s VAL 385 CO 0.00 0.13 1.14 0.29 0.00 0.00 0.00 175.10 176.67 1juy n LYS 386 N 0.65 0.64 -3.60 2.72 5.02 -1.26 -3.97 118.16 118.36 1juy n LYS 386 Ca 0.01 -2.22 -0.06 0.00 -2.02 0.00 0.00 58.31 54.01 1juy n LYS 386 Cb 0.42 -0.79 -0.08 0.00 -0.02 0.00 0.00 35.03 34.55 1juy n LYS 386 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1juy s ASP 387 N -2.26 -0.48 0.35 4.39 1.47 -1.26 -4.57 116.67 114.31 1juy s ASP 387 Ca 0.27 1.06 0.16 0.00 1.18 0.00 0.00 52.55 55.23 1juy s ASP 387 Cb 0.28 1.60 1.16 0.00 -0.34 0.00 0.00 42.92 45.62 1juy s ASP 387 CO -0.07 -0.24 1.64 0.03 0.68 0.00 0.00 175.17 177.21 1juy h ARG 388 N 8.12 0.23 -1.06 2.11 3.08 -1.95 0.93 114.38 125.83 1juy h ARG 388 Ca -0.17 -0.01 0.28 0.00 0.07 0.00 0.00 59.98 60.15 1juy h ARG 388 Cb 1.11 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 31.03 1juy h ARG 388 CO 0.14 0.15 0.71 0.77 -1.07 0.00 0.00 179.97 180.67 1juy h SER 389 N 0.24 0.30 0.63 7.04 0.02 -2.02 1.12 113.55 120.88 1juy h SER 389 Ca 0.76 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.77 1juy h SER 389 Cb 1.82 0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.37 1juy h SER 389 CO -0.65 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 175.71 1juy n GLY 390 N -1.56 -1.21 3.73 -3.77 0.00 0.32 -4.75 105.19 97.95 1juy n GLY 390 Ca 0.25 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1juy n GLY 390 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1juy s LEU 391 N -2.76 4.31 0.60 0.99 1.43 0.39 -4.91 118.68 118.73 1juy s LEU 391 Ca 0.18 0.98 -0.18 0.00 -1.03 0.00 0.00 54.13 54.09 1juy s LEU 391 Cb 0.16 -2.85 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 1juy s LEU 391 CO 0.41 -0.02 1.14 -2.16 0.23 0.00 0.00 176.35 175.95 1juy s PRO 392 N 0.53 3.04 0.41 1.29 0.04 -1.26 -4.77 135.00 134.28 1juy s PRO 392 Ca 0.30 1.57 0.19 0.00 0.04 0.00 0.00 61.00 63.10 1juy s PRO 392 Cb -0.16 -1.97 1.11 0.00 0.04 0.00 0.00 34.50 33.52 1juy s PRO 392 CO 0.14 -1.09 1.80 0.37 0.04 0.00 0.00 177.00 178.26 1juy h GLN 393 N 0.67 0.38 0.15 4.56 5.75 -1.96 -0.49 115.11 124.16 1juy h GLN 393 Ca -0.49 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.00 1juy h GLN 393 Cb 1.26 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.70 1juy h GLN 393 CO 0.55 0.25 -0.27 0.00 -2.65 0.00 0.00 178.83 176.71 1juy h ALA 394 N 1.60 -0.49 -0.55 3.38 0.00 -1.89 0.38 119.26 121.70 1juy h ALA 394 Ca 0.55 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.45 1juy h ALA 394 Cb 1.42 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 19.60 1juy h ALA 394 CO -0.24 -0.82 0.30 0.00 0.00 0.00 0.00 179.25 178.49 1juy h ALA 395 N 0.19 0.71 -0.59 0.00 0.00 -1.42 0.43 119.26 118.57 1juy h ALA 395 Ca 0.02 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1juy h ALA 395 Cb 0.52 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1juy h ALA 395 CO -0.14 -0.02 0.37 -0.07 0.00 0.00 0.00 179.25 179.38 1juy h LEU 396 N 0.58 0.60 0.08 0.00 3.38 -0.98 0.15 115.31 119.12 1juy h LEU 396 Ca 0.23 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1juy h LEU 396 Cb 0.11 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1juy h LEU 396 CO -0.14 0.43 -0.05 0.78 0.09 0.00 0.00 178.44 179.54 1juy h ASN 397 N 0.73 -0.14 -0.77 -0.43 -0.26 0.12 0.17 115.58 115.00 1juy h ASN 397 Ca 0.23 0.01 0.13 0.00 -0.56 0.00 0.00 56.30 56.11 1juy h ASN 397 Cb -0.00 0.04 -0.05 0.00 -1.06 0.00 0.00 38.32 37.25 1juy h ASN 397 CO -0.09 -0.09 0.51 0.22 -1.06 0.00 0.00 177.43 176.92 1juy h TYR 398 N -0.14 0.62 -0.09 1.19 3.20 0.31 0.28 116.97 122.34 1juy h TYR 398 Ca -0.00 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 1juy h TYR 398 Cb 0.12 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.19 1juy h TYR 398 CO -0.09 0.26 -0.16 0.82 -1.64 0.00 0.00 178.16 177.35 1juy h ILE 399 N 0.55 1.39 -0.34 1.81 2.04 0.41 -2.33 117.51 121.05 1juy h ILE 399 Ca 0.37 -1.44 0.03 0.00 1.00 0.00 0.00 64.86 64.83 1juy h ILE 399 Cb 0.68 2.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 1juy h ILE 399 CO -0.14 0.41 0.14 0.50 0.00 0.00 0.00 178.15 179.07 1juy h LYS 400 N -0.18 0.30 -0.15 2.37 3.64 0.47 -1.23 116.57 121.78 1juy h LYS 400 Ca 0.01 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1juy h LYS 400 Cb 0.74 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.44 1juy h LYS 400 CO 0.04 0.20 -0.15 -0.09 -2.27 0.00 0.00 179.45 177.17 1juy h ARG 401 N 0.31 -0.18 -0.55 1.90 9.65 -0.49 0.53 114.38 125.54 1juy h ARG 401 Ca 0.15 0.01 0.09 0.00 -1.10 0.00 0.00 59.98 59.13 1juy h ARG 401 Cb 0.09 0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 28.64 1juy h ARG 401 CO -0.13 -0.12 0.17 0.82 2.80 0.00 0.00 179.97 183.51 1juy h ILE 402 N -0.18 0.75 -0.50 1.20 2.04 -1.09 0.39 117.51 120.12 1juy h ILE 402 Ca 0.10 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1juy h ILE 402 Cb 0.33 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1juy h ILE 402 CO -0.26 0.06 0.29 -0.33 0.00 0.00 0.00 178.15 177.92 1juy h GLU 403 N 0.33 0.68 0.21 2.37 5.08 0.21 -1.74 114.58 121.73 1juy h GLU 403 Ca 0.28 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1juy h GLU 403 Cb 0.35 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1juy h GLU 403 CO -0.31 0.51 -0.23 0.93 -1.00 0.00 0.00 179.01 178.91 1juy h GLU 404 N 0.67 -0.46 0.00 2.33 5.08 0.12 0.43 114.58 122.75 1juy h GLU 404 Ca 0.18 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1juy h GLU 404 Cb 0.01 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1juy h GLU 404 CO -0.03 -0.31 0.01 1.28 -1.00 0.00 0.00 179.01 178.96 1juy n LEU 405 N -5.35 0.27 0.00 1.33 4.77 0.13 -3.52 117.00 114.62 1juy n LEU 405 Ca -0.08 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1juy n LEU 405 Cb 0.26 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1juy n LEU 405 CO 0.29 -0.71 -0.44 0.41 -1.33 0.00 0.00 177.39 175.61 1juy n THR 406 N -1.86 0.00 -1.71 -5.08 -1.04 -0.68 -4.99 114.28 98.91 1juy n THR 406 Ca -0.01 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.98 1juy n THR 406 Cb 0.03 -0.79 -0.00 0.00 -1.82 0.00 0.00 70.33 67.74 1juy n THR 406 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1juy n GLY 407 N 2.81 0.37 2.83 3.41 0.00 0.14 -5.04 105.19 109.72 1juy n GLY 407 Ca 0.00 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 1juy n GLY 407 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1juy s VAL 408 N -2.09 0.23 0.31 1.61 1.01 -1.25 -5.10 120.40 115.11 1juy s VAL 408 Ca 0.00 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 1juy s VAL 408 Cb 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 36.38 35.97 1juy s VAL 408 CO 0.00 0.16 1.23 -2.16 0.00 0.00 0.00 175.10 174.33 1juy s PRO 409 N 1.00 4.46 -0.91 2.72 0.04 -1.26 -4.61 135.00 136.44 1juy s PRO 409 Ca -0.10 2.06 -0.21 0.00 0.04 0.00 0.00 61.00 62.79 1juy s PRO 409 Cb -0.14 -3.12 0.10 0.00 0.04 0.00 0.00 34.50 31.38 1juy s PRO 409 CO -0.01 -0.04 1.19 0.42 0.04 0.00 0.00 177.00 178.59 1juy s ILE 410 N -1.11 4.44 0.23 0.56 1.01 -1.26 -1.91 121.20 123.17 1juy s ILE 410 Ca 0.47 -1.14 0.15 0.00 0.00 0.00 0.00 60.65 60.13 1juy s ILE 410 Cb -0.37 -4.84 0.07 0.00 0.01 0.00 0.00 42.46 37.33 1juy s ILE 410 CO 0.48 -1.62 1.70 0.44 0.00 0.00 0.00 174.94 175.95 1juy h ASP 411 N 9.21 0.00 -4.35 3.58 3.32 -1.24 -3.45 116.42 123.48 1juy h ASP 411 Ca 0.09 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.79 1juy h ASP 411 Cb 1.03 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.33 1juy h ASP 411 CO 1.20 0.46 -0.76 -0.63 -1.72 0.00 0.00 179.24 177.79 1juy s ILE 412 N -3.68 0.71 -0.07 0.35 1.01 -1.13 0.29 121.20 118.68 1juy s ILE 412 Ca -0.01 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.86 1juy s ILE 412 Cb 0.12 -0.68 0.02 0.00 0.01 0.00 0.00 42.46 41.93 1juy s ILE 412 CO 0.72 -0.09 -0.10 -0.63 0.00 0.00 0.00 174.94 174.84 1juy s ILE 413 N -0.81 1.03 -0.16 2.92 1.01 -0.48 0.78 121.20 125.48 1juy s ILE 413 Ca -0.02 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.21 1juy s ILE 413 Cb -0.07 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 1juy s ILE 413 CO 0.00 0.34 -0.04 -0.55 0.00 0.00 0.00 174.94 174.69 1juy s SER 414 N 0.92 4.71 -0.20 3.58 0.15 0.28 -0.66 113.70 122.49 1juy s SER 414 Ca -0.10 -0.16 0.13 0.00 0.70 0.00 0.00 55.95 56.51 1juy s SER 414 Cb -0.15 -1.77 0.41 0.00 -1.71 0.00 0.00 66.02 62.80 1juy s SER 414 CO 0.01 0.15 1.26 0.35 1.20 0.00 0.00 173.24 176.20 1juy n THR 415 N 3.66 2.20 0.00 6.45 -2.24 0.92 -2.62 114.28 122.65 1juy n THR 415 Ca -0.17 -2.85 0.00 0.00 -2.27 0.00 0.00 64.05 58.76 1juy n THR 415 Cb 0.52 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1juy n THR 415 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1juy n GLY 416 N -1.16 2.08 0.25 3.38 0.00 -1.11 0.13 105.19 108.76 1juy n GLY 416 Ca 0.21 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.53 1juy n GLY 416 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1juy h PRO 417 N 0.00 0.00 -6.69 1.61 0.11 -1.95 -3.44 132.00 121.65 1juy h PRO 417 Ca 0.00 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.59 1juy h PRO 417 Cb 0.00 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.14 1juy h PRO 417 CO 0.00 0.16 0.65 0.34 -0.21 0.00 0.00 178.00 178.94 1juy s ASP 418 N -6.11 6.89 0.55 -2.05 2.15 -1.26 -4.10 116.67 112.73 1juy s ASP 418 Ca -0.01 2.42 0.43 0.00 0.43 0.00 0.00 52.55 55.81 1juy s ASP 418 Cb 0.12 -2.61 1.64 0.00 -0.30 0.00 0.00 42.92 41.76 1juy s ASP 418 CO 0.60 -0.53 1.70 -0.09 -0.17 0.00 0.00 175.17 176.68 1juy h ARG 419 N 5.31 0.00 0.00 4.34 2.43 -1.13 -0.79 114.38 124.53 1juy h ARG 419 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1juy h ARG 419 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1juy h ARG 419 CO 0.77 0.00 -0.98 0.25 -1.51 0.00 0.00 179.97 178.50 1juy n THR 420 N -4.06 0.46 -1.97 0.20 -2.24 -1.26 -4.45 114.28 100.96 1juy n THR 420 Ca 0.34 -0.44 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 1juy n THR 420 Cb 1.60 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 1juy n THR 420 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1juy n GLU 421 N -2.42 3.11 -3.52 -0.78 0.28 -0.30 -4.80 120.64 112.19 1juy n GLU 421 Ca 0.01 -2.93 -0.13 0.00 -0.16 0.00 0.00 57.16 53.95 1juy n GLU 421 Cb 0.51 -3.19 -0.04 0.00 1.43 0.00 0.00 31.44 30.15 1juy n GLU 421 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1juy s THR 422 N 2.38 0.02 -0.10 3.84 2.01 -1.25 -0.06 115.64 122.48 1juy s THR 422 Ca 0.45 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.26 1juy s THR 422 Cb 0.12 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.64 1juy s THR 422 CO -0.05 -0.10 -0.08 0.00 -0.69 0.00 0.00 174.62 173.70 1juy s MET 423 N -3.00 1.45 -0.19 4.92 0.23 0.17 -4.51 119.30 118.37 1juy s MET 423 Ca -0.02 -0.25 -0.13 0.00 -1.03 0.00 0.00 55.69 54.26 1juy s MET 423 Cb -0.00 -1.47 -0.05 0.00 -1.53 0.00 0.00 34.83 31.78 1juy s MET 423 CO -0.06 -0.21 0.26 0.42 -2.03 0.00 0.00 175.02 173.40 1juy s ILE 424 N 1.50 5.31 -0.25 3.16 1.01 -1.26 -1.38 121.20 129.29 1juy s ILE 424 Ca 0.01 0.45 0.01 0.00 0.00 0.00 0.00 60.65 61.12 1juy s ILE 424 Cb -0.13 -3.60 -0.16 0.00 0.01 0.00 0.00 42.46 38.58 1juy s ILE 424 CO -0.05 0.36 -0.23 0.18 0.00 0.00 0.00 174.94 175.19 1juy n LEU 425 N 3.89 2.89 -3.83 2.97 7.99 0.14 -4.91 117.00 126.15 1juy n LEU 425 Ca -0.12 -0.10 -0.21 0.00 -0.01 0.00 0.00 56.01 55.57 1juy n LEU 425 Cb 0.52 -0.88 -0.17 0.00 -0.11 0.00 0.00 43.42 42.78 1juy n LEU 425 CO 0.39 0.90 -0.39 -0.60 -1.51 0.00 0.00 177.39 176.17 1juy s ARG 426 N -2.50 0.66 -0.35 3.23 3.52 -0.93 -5.06 118.95 117.52 1juy s ARG 426 Ca -0.34 0.01 -0.18 0.00 -0.13 0.00 0.00 55.73 55.09 1juy s ARG 426 Cb 0.09 -0.85 -0.00 0.00 -1.56 0.00 0.00 34.95 32.63 1juy s ARG 426 CO 0.57 -0.19 0.51 0.34 -0.81 0.00 0.00 175.30 175.73 1juy s ASP 427 N 1.40 6.32 0.55 -2.12 -1.08 -1.26 -4.66 116.67 115.81 1juy s ASP 427 Ca -0.04 -0.04 0.40 0.00 -0.52 0.00 0.00 52.55 52.35 1juy s ASP 427 Cb -0.13 -2.27 1.59 0.00 -1.46 0.00 0.00 42.92 40.65 1juy s ASP 427 CO -0.03 -0.48 1.75 -0.65 0.52 0.00 0.00 175.17 176.28 1juy h PRO 428 N 8.46 0.00 0.00 4.34 0.11 -1.95 0.49 132.00 143.45 1juy h PRO 428 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1juy h PRO 428 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1juy h PRO 428 CO 0.77 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.75 1juy n PHE 429 N -4.12 0.25 -0.07 0.65 3.72 -1.26 0.36 117.46 116.99 1juy n PHE 429 Ca 0.30 0.10 -0.18 0.00 -0.05 0.00 0.00 57.45 57.61 1juy n PHE 429 Cb 1.42 -0.66 -0.13 0.00 -0.94 0.00 0.00 39.48 39.17 1juy n PHE 429 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1juy n ASP 430 N -1.72 1.85 0.00 4.37 8.00 0.17 -2.94 116.55 126.28 1juy n ASP 430 Ca 0.03 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1juy n ASP 430 Cb 0.19 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 1juy n ASP 430 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81