#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jda s GLN 2 N 0.00 4.41 -0.40 -0.67 0.74 -1.26 -4.99 119.66 117.49 1jda s GLN 2 Ca 0.00 1.53 0.03 0.00 0.05 0.00 0.00 55.36 56.97 1jda s GLN 2 Cb 0.00 -3.53 0.11 0.00 1.10 0.00 0.00 33.01 30.70 1jda s GLN 2 CO 0.00 -0.33 0.15 0.00 -0.55 0.00 0.00 175.29 174.55 1jda s ALA 3 N 1.91 2.68 0.22 1.58 0.00 -1.26 -3.32 121.76 123.58 1jda s ALA 3 Ca 0.52 -2.62 -0.08 0.00 0.00 0.00 0.00 51.96 49.78 1jda s ALA 3 Cb -0.22 -1.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 1jda s ALA 3 CO 0.21 -1.84 0.33 0.20 0.00 0.00 0.00 175.76 174.67 1jda s GLY 4 N 0.59 0.82 0.33 0.00 0.00 -1.26 -4.73 107.32 103.06 1jda s GLY 4 Ca 0.14 -1.14 -0.08 0.00 0.00 0.00 0.00 44.72 43.63 1jda s GLY 4 CO -0.07 -0.91 0.64 0.54 0.00 0.00 0.00 173.10 173.30 1jda s LYS 5 N -4.05 3.71 0.84 2.90 1.02 -1.26 0.18 119.74 123.08 1jda s LYS 5 Ca 0.27 0.23 -0.11 0.00 0.02 0.00 0.00 55.97 56.37 1jda s LYS 5 Cb 0.02 -2.54 0.10 0.00 -0.52 0.00 0.00 37.83 34.89 1jda s LYS 5 CO 0.08 0.12 1.09 -1.54 -0.92 0.00 0.00 175.35 174.19 1jda s SER 6 N -3.08 4.03 0.54 2.83 1.04 -0.62 -4.85 113.70 113.60 1jda s SER 6 Ca 0.47 1.42 0.28 0.00 0.48 0.00 0.00 55.95 58.61 1jda s SER 6 Cb -0.11 -2.13 1.44 0.00 0.10 0.00 0.00 66.02 65.32 1jda s SER 6 CO 0.29 -2.28 1.95 -0.65 0.98 0.00 0.00 173.24 173.54 1jda h PRO 7 N -1.30 0.00 -0.53 4.02 0.11 -1.99 1.23 132.00 133.54 1jda h PRO 7 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1jda h PRO 7 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1jda h PRO 7 CO 0.57 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.45 1jda n ASN 8 N -4.31 2.90 -1.35 -2.05 5.03 -1.26 -4.92 115.26 109.30 1jda n ASN 8 Ca 0.13 -2.12 -0.11 0.00 0.87 0.00 0.00 54.58 53.36 1jda n ASN 8 Cb 0.74 -0.38 0.00 0.00 -1.02 0.00 0.00 39.78 39.12 1jda n ASN 8 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jda n ALA 9 N 0.83 -0.37 -2.46 5.41 0.00 0.42 -5.01 120.51 119.32 1jda n ALA 9 Ca 0.17 0.11 -0.38 0.00 0.00 0.00 0.00 53.44 53.33 1jda n ALA 9 Cb 0.50 -1.68 -0.06 0.00 0.00 0.00 0.00 19.45 18.22 1jda n ALA 9 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jda s VAL 10 N -2.65 4.95 -0.97 0.00 1.01 -1.25 -4.75 120.40 116.73 1jda s VAL 10 Ca 0.06 1.03 -0.14 0.00 0.00 0.00 0.00 61.98 62.93 1jda s VAL 10 Cb -0.03 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 1jda s VAL 10 CO 0.07 0.51 2.11 0.54 0.00 0.00 0.00 175.10 178.33 1jda n ARG 11 N 2.22 2.05 -0.06 2.72 1.74 -0.61 -1.58 116.66 123.14 1jda n ARG 11 Ca -0.11 -1.82 0.12 0.00 -0.77 0.00 0.00 57.85 55.27 1jda n ARG 11 Cb 0.52 -2.78 0.35 0.00 -1.02 0.00 0.00 32.46 29.52 1jda n ARG 11 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 1jda n TYR 12 N 5.79 0.16 -3.67 -1.55 0.18 -1.26 -3.02 117.16 113.79 1jda n TYR 12 Ca 0.50 -0.08 -0.31 0.00 1.88 0.00 0.00 57.90 59.90 1jda n TYR 12 Cb 0.29 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.29 1jda n TYR 12 CO 0.00 0.00 0.00 1.58 -2.08 0.00 0.00 176.86 176.36 1jda n HIS 13 N 0.66 -1.92 0.00 -3.48 -0.00 -1.06 -1.87 115.22 107.54 1jda n HIS 13 Ca 0.17 0.48 0.00 0.00 -0.00 0.00 0.00 57.72 58.38 1jda n HIS 13 Cb 0.43 -3.50 0.00 0.00 -0.00 0.00 0.00 29.99 26.93 1jda n HIS 13 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1jda n GLY 14 N -1.67 2.82 2.08 1.57 0.00 0.49 -4.13 105.19 106.34 1jda n GLY 14 Ca -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 1jda n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jda n GLY 15 N -0.54 0.55 1.51 -0.02 0.00 -0.78 -4.86 105.19 101.06 1jda n GLY 15 Ca 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 45.05 1jda n GLY 15 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jda n ASP 16 N 1.54 2.44 -4.89 1.61 5.75 -1.26 -1.03 116.55 120.71 1jda n ASP 16 Ca -0.03 -3.20 -0.29 0.00 -0.01 0.00 0.00 54.79 51.26 1jda n ASP 16 Cb 0.15 -0.42 -0.02 0.00 -1.03 0.00 0.00 41.12 39.79 1jda n ASP 16 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1jda s GLU 17 N -2.77 3.69 -0.24 0.11 0.41 -1.26 -4.98 118.70 113.66 1jda s GLU 17 Ca 0.39 0.39 -0.03 0.00 -0.41 0.00 0.00 54.97 55.31 1jda s GLU 17 Cb 0.38 -2.37 0.08 0.00 -1.78 0.00 0.00 34.13 30.44 1jda s GLU 17 CO -0.06 -0.12 0.08 0.42 -0.49 0.00 0.00 175.26 175.10 1jda s ILE 18 N -2.54 0.34 0.06 -1.63 1.01 -1.26 -4.34 121.20 112.84 1jda s ILE 18 Ca 0.50 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 60.31 1jda s ILE 18 Cb -0.10 -1.08 -0.06 0.00 0.01 0.00 0.00 42.46 41.23 1jda s ILE 18 CO 0.37 -0.46 0.42 -0.63 0.00 0.00 0.00 174.94 174.64 1jda s ILE 19 N 1.92 5.05 -0.17 2.92 1.09 -0.89 -0.57 121.20 130.55 1jda s ILE 19 Ca 0.04 0.62 -0.02 0.00 -1.10 0.00 0.00 60.65 60.20 1jda s ILE 19 Cb -0.17 -3.68 -0.01 0.00 -1.06 0.00 0.00 42.46 37.55 1jda s ILE 19 CO -0.19 0.38 -0.09 -0.22 -0.10 0.00 0.00 174.94 174.71 1jda s LEU 20 N -1.65 2.81 -0.46 2.97 2.96 -0.78 -0.69 118.68 123.85 1jda s LEU 20 Ca 0.30 -0.34 -0.28 0.00 -0.22 0.00 0.00 54.13 53.59 1jda s LEU 20 Cb -0.15 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.88 1jda s LEU 20 CO 0.17 0.09 1.44 -1.58 -1.32 0.00 0.00 176.35 175.15 1jda s GLN 21 N 0.81 3.46 0.00 1.98 0.74 0.97 0.28 119.66 127.90 1jda s GLN 21 Ca -0.03 0.81 0.00 0.00 0.05 0.00 0.00 55.36 56.19 1jda s GLN 21 Cb -0.15 -4.07 0.00 0.00 1.10 0.00 0.00 33.01 29.89 1jda s GLN 21 CO 0.01 -1.72 1.44 0.41 -0.55 0.00 0.00 175.29 174.88 1jda n GLY 22 N 5.17 1.96 0.00 2.59 0.00 0.99 -2.98 105.19 112.92 1jda n GLY 22 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1jda n GLY 22 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1jda n PHE 23 N 1.54 0.00 -4.49 1.61 -1.74 -1.26 -4.73 117.46 108.39 1jda n PHE 23 Ca 0.00 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.65 1jda n PHE 23 Cb 0.37 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.28 1jda n PHE 23 CO 0.00 0.00 0.00 -3.38 -0.56 0.00 0.00 176.76 172.82 1jda s HIS 24 N -2.00 1.84 0.42 2.97 -3.43 -1.26 -4.50 115.29 109.33 1jda s HIS 24 Ca 0.00 -1.15 0.14 0.00 -0.80 0.00 0.00 55.06 53.25 1jda s HIS 24 Cb 0.00 -1.20 0.91 0.00 -1.43 0.00 0.00 32.58 30.85 1jda s HIS 24 CO 0.00 -0.17 1.94 2.35 -2.00 0.00 0.00 174.74 176.86 1jda h TRP 25 N 1.93 0.01 -0.61 0.38 2.91 -1.90 -3.25 115.95 115.42 1jda h TRP 25 Ca -0.38 -0.00 -0.10 0.00 1.13 0.00 0.00 58.89 59.54 1jda h TRP 25 Cb 1.26 -0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 29.85 1jda h TRP 25 CO 1.09 0.25 0.13 0.09 -1.03 0.00 0.00 178.44 178.97 1jda n ASN 26 N -4.25 4.99 -0.19 2.65 5.03 -1.26 -4.53 115.26 117.69 1jda n ASN 26 Ca -0.02 -2.99 -0.08 0.00 0.87 0.00 0.00 54.58 52.35 1jda n ASN 26 Cb 0.29 -0.70 0.01 0.00 -1.02 0.00 0.00 39.78 38.36 1jda n ASN 26 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1jda h VAL 27 N 3.06 1.24 0.00 2.41 2.07 -1.91 0.18 116.25 123.29 1jda h VAL 27 Ca 0.13 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1jda h VAL 27 Cb 2.05 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1jda h VAL 27 CO 0.58 0.30 0.01 -0.37 0.02 0.00 0.00 177.57 178.10 1jda h VAL 28 N 0.73 0.00 0.01 2.57 -1.51 -1.83 0.82 116.25 117.03 1jda h VAL 28 Ca 0.17 0.00 -0.41 0.00 -1.23 0.00 0.00 66.70 65.23 1jda h VAL 28 Cb 0.29 0.97 -0.07 0.00 -2.13 0.00 0.00 31.29 30.36 1jda h VAL 28 CO -0.00 0.00 -2.46 0.54 -1.23 0.00 0.00 177.57 174.42 1jda n ARG 29 N -3.04 0.63 -0.05 5.19 1.74 -1.07 -3.60 116.66 116.46 1jda n ARG 29 Ca -0.03 0.20 -0.14 0.00 -0.77 0.00 0.00 57.85 57.11 1jda n ARG 29 Cb 0.08 -1.52 -0.12 0.00 -1.02 0.00 0.00 32.46 29.87 1jda n ARG 29 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1jda h GLU 30 N -0.32 0.03 -2.17 5.56 4.39 0.08 -3.39 114.58 118.76 1jda h GLU 30 Ca -0.61 -0.04 -0.58 0.00 0.34 0.00 0.00 59.36 58.47 1jda h GLU 30 Cb 1.81 0.01 -0.41 0.00 -0.10 0.00 0.00 28.75 30.06 1jda h GLU 30 CO -0.19 0.92 -0.73 0.00 -1.16 0.00 0.00 179.01 177.85 1jda n ALA 31 N -2.56 3.80 -1.68 3.43 0.00 0.28 -5.06 120.51 118.71 1jda n ALA 31 Ca -0.10 -4.44 -0.55 0.00 0.00 0.00 0.00 53.44 48.36 1jda n ALA 31 Cb 0.46 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 19.00 1jda n ALA 31 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jda n PRO 32 N 0.63 1.35 -0.84 0.00 -0.04 -1.23 -1.59 135.00 133.28 1jda n PRO 32 Ca 0.28 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 1jda n PRO 32 Cb 0.44 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1jda n PRO 32 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jda n ASN 33 N 4.94 -4.94 -0.14 3.54 3.02 0.00 -4.77 115.26 116.92 1jda n ASN 33 Ca 0.24 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.80 1jda n ASN 33 Cb 0.17 -3.03 0.03 0.00 -0.61 0.00 0.00 39.78 36.34 1jda n ASN 33 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1jda n ASP 34 N -0.40 1.96 -0.28 6.41 2.03 -0.62 -4.27 116.55 121.37 1jda n ASP 34 Ca 0.00 -1.77 -0.04 0.00 0.52 0.00 0.00 54.79 53.51 1jda n ASP 34 Cb 0.41 -0.04 0.08 0.00 -0.72 0.00 0.00 41.12 40.85 1jda n ASP 34 CO 0.00 0.00 0.00 -0.25 -1.92 0.00 0.00 177.20 175.03 1jda h TRP 35 N 0.48 0.95 0.00 -0.67 2.91 -1.45 -1.82 115.95 116.34 1jda h TRP 35 Ca 0.00 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 59.96 1jda h TRP 35 Cb 0.44 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 28.76 1jda h TRP 35 CO 0.04 0.57 -0.41 1.88 -1.03 0.00 0.00 178.44 179.49 1jda h TYR 36 N 1.01 0.00 -0.17 2.65 0.05 -1.66 -2.55 116.97 116.30 1jda h TYR 36 Ca 0.29 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.89 1jda h TYR 36 Cb -0.06 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.68 1jda h TYR 36 CO -0.02 0.41 -0.65 -0.91 -1.05 0.00 0.00 178.16 175.93 1jda h ASN 37 N 0.00 0.74 -0.04 3.88 2.35 -1.64 -1.15 115.58 119.73 1jda h ASN 37 Ca -0.00 -0.44 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1jda h ASN 37 Cb 0.85 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 1jda h ASN 37 CO 0.05 1.20 0.03 0.40 -1.65 0.00 0.00 177.43 177.46 1jda h ILE 38 N 0.47 1.02 -0.18 2.81 2.04 -1.42 -0.81 117.51 121.44 1jda h ILE 38 Ca -0.02 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 1jda h ILE 38 Cb 1.24 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1jda h ILE 38 CO 0.13 0.02 -0.15 -0.07 0.00 0.00 0.00 178.15 178.08 1jda h LEU 39 N 0.04 0.28 -0.50 1.44 3.38 -1.38 -0.88 115.31 117.68 1jda h LEU 39 Ca 0.01 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 1jda h LEU 39 Cb 0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1jda h LEU 39 CO -0.00 0.45 -0.42 -0.09 0.09 0.00 0.00 178.44 178.47 1jda h ARG 40 N 0.27 0.75 0.00 1.13 2.43 -0.76 -1.78 114.38 116.43 1jda h ARG 40 Ca 0.05 -0.41 -0.07 0.00 -0.81 0.00 0.00 59.98 58.75 1jda h ARG 40 Cb 0.43 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1jda h ARG 40 CO 0.03 1.03 -0.34 1.96 -1.51 0.00 0.00 179.97 181.14 1jda h GLN 41 N 0.61 0.00 0.00 0.20 4.20 -0.79 -3.21 115.11 116.12 1jda h GLN 41 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1jda h GLN 41 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1jda h GLN 41 CO 0.09 0.34 -1.03 1.04 -0.67 0.00 0.00 178.83 178.60 1jda n GLN 42 N -3.72 0.16 -0.33 1.46 1.13 -0.37 -4.55 117.38 111.17 1jda n GLN 42 Ca -0.01 -0.02 0.24 0.00 -1.94 0.00 0.00 57.00 55.27 1jda n GLN 42 Cb 0.44 -1.53 0.47 0.00 0.11 0.00 0.00 30.24 29.72 1jda n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jda h ALA 43 N 2.75 1.85 -0.49 -1.58 0.00 -1.33 0.27 119.26 120.73 1jda h ALA 43 Ca 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1jda h ALA 43 Cb 0.63 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1jda h ALA 43 CO 0.00 -0.71 0.16 0.00 0.00 0.00 0.00 179.25 178.70 1jda h ALA 44 N 1.92 0.64 0.47 0.00 0.00 -1.83 -1.82 119.26 118.64 1jda h ALA 44 Ca 0.74 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.45 1jda h ALA 44 Cb 1.77 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1jda h ALA 44 CO -0.72 0.28 -0.23 1.15 0.00 0.00 0.00 179.25 179.74 1jda h THR 45 N 0.65 0.49 -0.68 0.00 2.02 -0.90 -0.34 112.91 114.16 1jda h THR 45 Ca 0.16 -0.33 0.15 0.00 0.77 0.00 0.00 66.41 67.16 1jda h THR 45 Cb 0.25 0.63 -0.11 0.00 -1.74 0.00 0.00 68.15 67.17 1jda h THR 45 CO -0.01 0.05 0.02 0.40 0.37 0.00 0.00 175.52 176.35 1jda h ILE 46 N -0.84 0.44 -0.32 3.11 2.04 -0.83 0.17 117.51 121.28 1jda h ILE 46 Ca -0.06 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1jda h ILE 46 Cb 0.57 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1jda h ILE 46 CO 0.11 0.02 0.08 0.00 0.00 0.00 0.00 178.15 178.36 1jda h ALA 47 N 1.62 0.42 -0.34 1.87 0.00 -1.26 -3.05 119.26 118.52 1jda h ALA 47 Ca 0.36 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1jda h ALA 47 Cb 0.61 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1jda h ALA 47 CO -0.58 0.08 -0.03 0.00 0.00 0.00 0.00 179.25 178.72 1jda h ALA 48 N 0.91 1.32 0.00 0.00 0.00 0.48 -2.08 119.26 119.89 1jda h ALA 48 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1jda h ALA 48 Cb 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1jda h ALA 48 CO 0.00 0.46 0.00 -0.44 0.00 0.00 0.00 179.25 179.27 1jda h ASP 49 N 0.51 0.00 0.00 0.00 3.32 -0.63 -3.46 116.42 116.15 1jda h ASP 49 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1jda h ASP 49 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1jda h ASP 49 CO 0.02 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.15 1jda n GLY 50 N -0.62 0.77 3.77 2.75 0.00 -0.78 -4.86 105.19 106.21 1jda n GLY 50 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1jda n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jda s PHE 51 N -2.00 2.67 -0.07 1.61 0.08 -1.16 -4.86 117.98 114.25 1jda s PHE 51 Ca 0.00 1.53 0.16 0.00 0.12 0.00 0.00 56.93 58.73 1jda s PHE 51 Cb 0.00 -3.39 -0.23 0.00 -0.57 0.00 0.00 43.02 38.83 1jda s PHE 51 CO 0.00 -1.75 0.26 -1.13 -0.10 0.00 0.00 175.22 172.50 1jda n SER 52 N -1.04 1.23 -3.94 1.36 3.41 0.26 -4.69 113.62 110.20 1jda n SER 52 Ca 0.10 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.62 1jda n SER 52 Cb 0.49 1.46 -0.07 0.00 -0.26 0.00 0.00 64.21 65.83 1jda n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jda s ALA 53 N -2.89 -0.01 -0.01 7.33 0.00 -1.15 -1.07 121.76 123.96 1jda s ALA 53 Ca -0.07 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1jda s ALA 53 Cb 0.09 0.78 0.01 0.00 0.00 0.00 0.00 23.12 24.00 1jda s ALA 53 CO 0.67 -0.61 0.00 -1.50 0.00 0.00 0.00 175.76 174.32 1jda s ILE 54 N -3.95 0.06 -0.45 0.00 2.07 -0.81 -1.87 121.20 116.25 1jda s ILE 54 Ca 0.15 0.06 -0.17 0.00 -1.41 0.00 0.00 60.65 59.27 1jda s ILE 54 Cb 0.04 -0.12 0.04 0.00 0.13 0.00 0.00 42.46 42.55 1jda s ILE 54 CO -0.02 0.07 0.44 0.86 -1.91 0.00 0.00 174.94 174.37 1jda s TRP 55 N 0.49 3.18 0.46 3.50 -0.00 0.14 -0.09 118.94 126.62 1jda s TRP 55 Ca -0.04 -0.56 -0.20 0.00 -0.00 0.00 0.00 56.10 55.29 1jda s TRP 55 Cb -0.07 -3.01 -0.09 0.00 -0.00 0.00 0.00 33.47 30.29 1jda s TRP 55 CO -0.01 -0.76 1.00 -1.64 -0.00 0.00 0.00 176.95 175.54 1jda s MET 56 N 2.04 3.98 1.10 5.86 -1.94 0.03 -0.01 119.30 130.36 1jda s MET 56 Ca 0.10 1.24 -0.12 0.00 -1.71 0.00 0.00 55.69 55.20 1jda s MET 56 Cb -0.19 -2.13 0.25 0.00 2.01 0.00 0.00 34.83 34.76 1jda s MET 56 CO 0.11 -0.26 1.05 -1.25 -0.01 0.00 0.00 175.02 174.67 1jda s PRO 57 N -3.24 -0.41 0.19 2.03 0.04 -1.26 -2.21 135.00 130.13 1jda s PRO 57 Ca 0.65 0.90 -0.32 0.00 0.04 0.00 0.00 61.00 62.27 1jda s PRO 57 Cb -0.13 -1.61 -0.11 0.00 0.04 0.00 0.00 34.50 32.69 1jda s PRO 57 CO 0.17 -3.40 1.62 0.08 0.04 0.00 0.00 177.00 175.51 1jda s VAL 58 N -2.57 2.37 -0.16 -0.36 1.01 -1.26 -4.11 120.40 115.31 1jda s VAL 58 Ca 0.68 0.27 0.15 0.00 0.00 0.00 0.00 61.98 63.08 1jda s VAL 58 Cb -0.24 -3.17 0.07 0.00 0.00 0.00 0.00 36.38 33.04 1jda s VAL 58 CO 0.62 0.02 1.44 1.55 0.00 0.00 0.00 175.10 178.73 1jda h PRO 59 N 6.58 0.00 -6.26 2.72 0.13 -1.91 -3.45 132.00 129.82 1jda h PRO 59 Ca -0.43 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.14 1jda h PRO 59 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1jda h PRO 59 CO 0.92 0.49 0.95 -1.58 -0.23 0.00 0.00 178.00 178.54 1jda s TRP 60 N -2.96 2.54 0.18 1.56 0.51 -1.26 -4.27 118.94 115.23 1jda s TRP 60 Ca 0.04 0.66 -0.33 0.00 -2.12 0.00 0.00 56.10 54.35 1jda s TRP 60 Cb 0.07 -3.70 -0.15 0.00 -0.81 0.00 0.00 33.47 28.89 1jda s TRP 60 CO 0.74 -2.68 1.34 2.89 -0.51 0.00 0.00 176.95 178.74 1jda n ARG 61 N 6.42 1.64 -3.77 4.98 1.85 -0.43 -4.71 116.66 122.63 1jda n ARG 61 Ca 0.15 0.58 -0.26 0.00 -1.00 0.00 0.00 57.85 57.33 1jda n ARG 61 Cb 0.44 -2.20 -0.17 0.00 -1.05 0.00 0.00 32.46 29.47 1jda n ARG 61 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1jda s ASP 62 N 0.32 2.27 -0.21 2.89 -1.08 -1.26 -2.09 116.67 117.50 1jda s ASP 62 Ca 0.74 -0.45 0.12 0.00 -0.52 0.00 0.00 52.55 52.44 1jda s ASP 62 Cb -0.76 -0.57 0.44 0.00 -1.46 0.00 0.00 42.92 40.56 1jda s ASP 62 CO 0.48 -0.23 1.20 0.49 0.52 0.00 0.00 175.17 177.63 1jda n PHE 63 N 5.07 0.85 -1.41 -5.34 3.72 -1.26 -4.14 117.46 114.94 1jda n PHE 63 Ca -0.09 -1.64 -0.30 0.00 -0.05 0.00 0.00 57.45 55.37 1jda n PHE 63 Cb 0.49 -0.27 0.10 0.00 -0.94 0.00 0.00 39.48 38.86 1jda n PHE 63 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1jda s SER 64 N -3.25 4.27 0.03 4.37 1.04 -1.26 -4.86 113.70 114.03 1jda s SER 64 Ca 0.41 1.45 -0.23 0.00 0.48 0.00 0.00 55.95 58.06 1jda s SER 64 Cb 0.38 -2.18 0.05 0.00 0.10 0.00 0.00 66.02 64.37 1jda s SER 64 CO -0.05 -2.13 0.52 -0.44 0.98 0.00 0.00 173.24 172.12 1jda s SER 65 N -3.69 -0.44 -0.29 7.02 0.01 -1.26 -2.99 113.70 112.06 1jda s SER 65 Ca 0.61 0.23 -0.14 0.00 1.31 0.00 0.00 55.95 57.96 1jda s SER 65 Cb -0.16 0.48 0.12 0.00 0.21 0.00 0.00 66.02 66.67 1jda s SER 65 CO 0.55 -0.68 0.76 -1.66 0.41 0.00 0.00 173.24 172.63 1jda s TRP 66 N -2.18 -1.02 0.32 2.43 1.48 -0.94 -4.94 118.94 114.09 1jda s TRP 66 Ca -0.07 1.91 -0.02 0.00 -1.06 0.00 0.00 56.10 56.86 1jda s TRP 66 Cb -0.01 0.61 -0.01 0.00 -1.16 0.00 0.00 33.47 32.90 1jda s TRP 66 CO 0.00 -0.51 0.42 -1.54 -4.06 0.00 0.00 176.95 171.26 1jda s SER 67 N 2.07 0.87 0.00 -2.66 1.04 -1.26 -2.81 113.70 110.95 1jda s SER 67 Ca -0.08 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 54.89 1jda s SER 67 Cb -0.07 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1jda s SER 67 CO -0.18 -1.21 0.00 -0.90 0.98 0.00 0.00 173.24 171.93 1jda n ASP 68 N -1.24 0.00 -3.15 7.02 5.75 -1.26 -5.09 116.55 118.59 1jda n ASP 68 Ca 0.02 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.85 1jda n ASP 68 Cb 0.62 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.70 1jda n ASP 68 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1jda s GLY 69 N -0.80 -0.78 0.00 6.12 0.00 -1.26 -5.09 107.32 105.51 1jda s GLY 69 Ca 0.00 2.18 0.00 0.00 0.00 0.00 0.00 44.72 46.90 1jda s GLY 69 CO 0.00 3.91 0.00 1.44 0.00 0.00 0.00 173.10 178.45 1jda n SER 70 N 5.30 0.00 0.00 1.64 7.64 -1.26 -4.87 113.62 122.07 1jda n SER 70 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1jda n SER 70 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1jda n SER 70 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1jda n LYS 71 N 0.65 0.00 -3.29 1.43 3.00 -1.26 -5.19 118.16 113.50 1jda n LYS 71 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 1jda n LYS 71 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 1jda n LYS 71 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1jda n SER 72 N 0.00 2.16 -3.70 3.14 3.41 -1.26 -4.55 113.62 112.83 1jda n SER 72 Ca 0.00 -2.10 0.03 0.00 -0.26 0.00 0.00 58.87 56.54 1jda n SER 72 Cb 0.00 0.29 0.01 0.00 -0.26 0.00 0.00 64.21 64.25 1jda n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jda n GLY 73 N 1.57 0.21 0.00 5.00 0.00 -1.12 -5.01 105.19 105.84 1jda n GLY 73 Ca -0.08 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1jda n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jda n GLY 74 N -0.88 3.54 2.08 -0.02 0.00 -1.26 -2.20 105.19 106.45 1jda n GLY 74 Ca 0.05 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1jda n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jda n GLY 75 N -1.18 0.61 0.13 -0.02 0.00 -1.16 -4.87 105.19 98.69 1jda n GLY 75 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1jda n GLY 75 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jda h GLU 76 N 1.52 0.00 0.00 1.61 3.07 -1.92 -3.42 114.58 115.45 1jda h GLU 76 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1jda h GLU 76 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1jda h GLU 76 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1jda n GLY 77 N 0.66 1.10 0.17 -3.84 0.00 -1.26 -4.46 105.19 97.55 1jda n GLY 77 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1jda n GLY 77 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jda n TYR 78 N -0.64 0.00 -2.81 1.61 4.01 -1.26 -3.46 117.16 114.61 1jda n TYR 78 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 1jda n TYR 78 Cb 0.00 -0.11 0.01 0.00 -0.31 0.00 0.00 39.34 38.93 1jda n TYR 78 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1jda n PHE 79 N -0.73 0.88 -1.57 -0.72 7.35 -1.26 -4.90 117.46 116.51 1jda n PHE 79 Ca 0.17 -3.08 -0.32 0.00 -0.76 0.00 0.00 57.45 53.45 1jda n PHE 79 Cb 0.27 -0.39 0.07 0.00 0.35 0.00 0.00 39.48 39.77 1jda n PHE 79 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1jda s TRP 80 N -2.93 2.55 -0.10 -5.13 1.48 -1.23 -4.33 118.94 109.26 1jda s TRP 80 Ca 0.31 1.56 0.04 0.00 -1.06 0.00 0.00 56.10 56.95 1jda s TRP 80 Cb 0.43 -3.15 -0.06 0.00 -1.16 0.00 0.00 33.47 29.53 1jda s TRP 80 CO 0.01 -1.80 0.14 -2.39 -4.06 0.00 0.00 176.95 168.84 1jda n HIS 81 N -2.80 0.00 -3.71 1.66 1.44 -0.89 -0.54 115.22 110.38 1jda n HIS 81 Ca 0.10 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.71 1jda n HIS 81 Cb 0.52 -0.05 -0.05 0.00 0.12 0.00 0.00 29.99 30.53 1jda n HIS 81 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1jda s ASP 82 N -1.99 -0.15 0.00 4.39 1.01 -1.26 -4.41 116.67 114.26 1jda s ASP 82 Ca -0.00 -0.44 0.30 0.00 0.71 0.00 0.00 52.55 53.12 1jda s ASP 82 Cb 0.03 0.46 1.54 0.00 1.01 0.00 0.00 42.92 45.96 1jda s ASP 82 CO 0.18 -0.85 2.04 0.49 0.21 0.00 0.00 175.17 177.23 1jda n PHE 83 N -0.21 0.00 -1.74 4.23 3.72 -1.26 -3.18 117.46 119.03 1jda n PHE 83 Ca -0.15 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.83 1jda n PHE 83 Cb 0.63 -0.11 -0.02 0.00 -0.94 0.00 0.00 39.48 39.05 1jda n PHE 83 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1jda n ASN 84 N -0.91 3.69 -0.23 4.37 2.85 -1.26 -4.70 115.26 119.06 1jda n ASN 84 Ca 0.19 1.15 0.08 0.00 -0.11 0.00 0.00 54.58 55.89 1jda n ASN 84 Cb 0.21 -1.57 0.40 0.00 1.24 0.00 0.00 39.78 40.06 1jda n ASN 84 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1jda n LYS 85 N 2.01 1.30 -1.18 1.20 4.01 -1.26 -1.31 118.16 122.93 1jda n LYS 85 Ca 0.08 -0.46 -0.29 0.00 -0.51 0.00 0.00 58.31 57.13 1jda n LYS 85 Cb 0.36 -1.29 0.15 0.00 -0.51 0.00 0.00 35.03 33.74 1jda n LYS 85 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1jda s ASN 86 N -1.47 3.09 0.00 4.39 2.20 -1.26 -3.64 114.94 118.25 1jda s ASN 86 Ca 0.26 1.37 0.00 0.00 -0.94 0.00 0.00 52.86 53.55 1jda s ASN 86 Cb 0.13 -2.05 0.00 0.00 -2.00 0.00 0.00 41.25 37.33 1jda s ASN 86 CO 0.20 -2.86 0.00 0.61 -2.94 0.00 0.00 177.10 172.11 1jda n GLY 87 N -1.08 0.00 3.47 0.45 0.00 -1.05 -4.31 105.19 102.67 1jda n GLY 87 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1jda n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jda n ARG 88 N -1.44 0.00 0.01 1.61 5.12 -1.26 -4.24 116.66 116.46 1jda n ARG 88 Ca 0.00 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.00 1jda n ARG 88 Cb 0.16 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.34 1jda n ARG 88 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1jda n TYR 89 N 0.00 0.31 0.00 -1.55 4.01 -1.26 -0.82 117.16 117.85 1jda n TYR 89 Ca 0.00 0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1jda n TYR 89 Cb 0.00 -0.71 0.00 0.00 -0.31 0.00 0.00 39.34 38.32 1jda n TYR 89 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jda n GLY 90 N 1.30 0.42 3.90 2.72 0.00 -1.26 -1.81 105.19 110.45 1jda n GLY 90 Ca -0.06 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 1jda n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jda s SER 91 N 0.00 6.16 0.44 1.61 1.04 -1.26 -2.54 113.70 119.15 1jda s SER 91 Ca 0.00 1.01 0.13 0.00 0.48 0.00 0.00 55.95 57.57 1jda s SER 91 Cb 0.00 -2.23 1.02 0.00 0.10 0.00 0.00 66.02 64.91 1jda s SER 91 CO 0.00 -0.71 2.01 -0.78 0.98 0.00 0.00 173.24 174.74 1jda h ASP 92 N 0.04 0.35 -0.04 7.02 1.82 -1.94 0.36 116.42 124.04 1jda h ASP 92 Ca -0.46 0.00 -0.19 0.00 -0.39 0.00 0.00 57.03 55.99 1jda h ASP 92 Cb 1.21 -0.07 0.01 0.00 0.68 0.00 0.00 39.33 41.16 1jda h ASP 92 CO 0.62 0.23 -0.74 0.00 -1.61 0.00 0.00 179.24 177.74 1jda h ALA 93 N 1.73 0.14 0.00 -0.78 0.00 -1.93 -1.77 119.26 116.65 1jda h ALA 93 Ca 0.23 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1jda h ALA 93 Cb 0.37 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1jda h ALA 93 CO -0.06 0.49 -0.34 1.96 0.00 0.00 0.00 179.25 181.31 1jda h GLN 94 N 0.16 0.00 -0.30 0.00 4.20 -1.82 -1.47 115.11 115.89 1jda h GLN 94 Ca -0.08 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1jda h GLN 94 Cb 1.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.18 1jda h GLN 94 CO 0.15 0.34 0.08 1.25 -0.67 0.00 0.00 178.83 179.97 1jda h LEU 95 N 0.00 0.45 -0.60 1.46 6.46 -0.02 0.32 115.31 123.37 1jda h LEU 95 Ca -0.00 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.52 1jda h LEU 95 Cb 0.66 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 1jda h LEU 95 CO 0.04 0.55 0.32 0.03 -0.62 0.00 0.00 178.44 178.76 1jda h ARG 96 N 0.32 0.85 -0.42 1.25 3.08 -1.00 -0.47 114.38 118.00 1jda h ARG 96 Ca 0.09 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1jda h ARG 96 Cb 0.27 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1jda h ARG 96 CO -0.00 0.66 0.06 1.96 -1.07 0.00 0.00 179.97 181.58 1jda h GLN 97 N 0.82 0.69 0.05 0.04 4.20 -1.01 -0.95 115.11 118.95 1jda h GLN 97 Ca 0.21 -0.19 0.03 0.00 0.06 0.00 0.00 58.65 58.75 1jda h GLN 97 Cb 0.07 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 1jda h GLN 97 CO -0.03 0.74 -0.40 0.00 -0.67 0.00 0.00 178.83 178.47 1jda h ALA 98 N 0.93 -0.66 -0.27 3.87 0.00 0.02 0.13 119.26 123.28 1jda h ALA 98 Ca 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1jda h ALA 98 Cb 0.39 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1jda h ALA 98 CO 0.01 -0.94 0.04 0.00 0.00 0.00 0.00 179.25 178.36 1jda h ALA 99 N -0.04 1.57 -0.23 0.00 0.00 -1.02 -0.57 119.26 118.97 1jda h ALA 99 Ca 0.04 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 1jda h ALA 99 Cb 0.65 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1jda h ALA 99 CO -0.27 0.33 -0.58 1.03 0.00 0.00 0.00 179.25 179.75 1jda h SER 100 N 0.39 0.82 -0.09 0.00 0.87 -0.87 -2.01 113.55 112.68 1jda h SER 100 Ca 0.09 -0.45 -0.23 0.00 -1.23 0.00 0.00 61.79 59.96 1jda h SER 100 Cb 0.20 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1jda h SER 100 CO 0.00 1.22 -0.86 0.00 -0.53 0.00 0.00 176.83 176.66 1jda h ALA 101 N 0.79 0.22 0.56 6.23 0.00 -0.13 -1.33 119.26 125.61 1jda h ALA 101 Ca 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 1jda h ALA 101 Cb 1.17 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.98 1jda h ALA 101 CO 0.12 0.65 -0.27 -0.07 0.00 0.00 0.00 179.25 179.68 1jda h LEU 102 N 0.43 -0.64 -1.11 0.00 -0.00 -1.17 -2.44 115.31 110.37 1jda h LEU 102 Ca -0.08 -0.03 0.05 0.00 -0.00 0.00 0.00 57.88 57.81 1jda h LEU 102 Cb 1.50 0.17 -0.06 0.00 -0.00 0.00 0.00 40.66 42.27 1jda h LEU 102 CO 0.17 -0.36 0.60 1.23 -0.00 0.00 0.00 178.44 180.08 1jda h GLY 103 N -0.90 1.34 2.00 0.83 0.00 -1.34 -1.07 103.07 103.93 1jda h GLY 103 Ca -0.08 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1jda h GLY 103 CO 0.13 0.36 -0.13 -1.33 0.00 0.00 0.00 176.54 175.57 1jda h GLY 104 N 1.12 0.00 -1.93 4.60 0.00 -1.08 -1.74 103.07 104.04 1jda h GLY 104 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1jda h GLY 104 CO -0.12 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.42 1jda n ALA 105 N -2.32 2.42 -0.72 3.60 0.00 -0.48 -4.94 120.51 118.07 1jda n ALA 105 Ca -0.02 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1jda n ALA 105 Cb 0.23 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1jda n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jda n GLY 106 N 1.36 0.58 3.53 0.00 0.00 -0.65 -4.83 105.19 105.18 1jda n GLY 106 Ca 0.18 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 1jda n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jda s VAL 107 N -2.00 4.77 0.54 1.61 1.01 -0.76 -4.83 120.40 120.74 1jda s VAL 107 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.76 1jda s VAL 107 Cb 0.00 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1jda s VAL 107 CO 0.00 0.32 1.19 -0.54 0.00 0.00 0.00 175.10 176.08 1jda s LYS 108 N 1.49 3.27 -0.22 2.72 1.02 -0.24 -3.27 119.74 124.52 1jda s LYS 108 Ca 0.06 1.80 -0.06 0.00 0.02 0.00 0.00 55.97 57.79 1jda s LYS 108 Cb -0.15 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 1jda s LYS 108 CO 0.06 -0.96 0.03 0.14 -0.92 0.00 0.00 175.35 173.70 1jda s VAL 109 N -1.60 4.19 -0.17 3.17 -7.23 -1.26 -1.93 120.40 115.57 1jda s VAL 109 Ca 0.72 -0.23 -0.06 0.00 -1.81 0.00 0.00 61.98 60.60 1jda s VAL 109 Cb -0.29 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 33.69 1jda s VAL 109 CO 0.33 0.40 0.04 -0.76 -0.31 0.00 0.00 175.10 174.80 1jda s LEU 110 N 1.16 3.71 -0.01 1.32 1.43 0.87 0.55 118.68 127.72 1jda s LEU 110 Ca 0.04 0.06 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 1jda s LEU 110 Cb -0.14 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 1jda s LEU 110 CO 0.02 0.19 0.21 -0.31 0.23 0.00 0.00 176.35 176.69 1jda s TYR 111 N 0.26 3.56 -0.08 0.29 2.02 -0.21 -0.79 117.35 122.39 1jda s TYR 111 Ca 0.02 0.42 -0.27 0.00 -0.37 0.00 0.00 57.07 56.88 1jda s TYR 111 Cb -0.13 -1.88 -0.03 0.00 -0.40 0.00 0.00 41.96 39.53 1jda s TYR 111 CO 0.01 0.64 0.86 0.34 -1.57 0.00 0.00 175.55 175.83 1jda s ASP 112 N -1.86 7.13 -0.04 2.29 -1.08 -0.94 -0.18 116.67 121.99 1jda s ASP 112 Ca 0.27 1.37 0.05 0.00 -0.52 0.00 0.00 52.55 53.73 1jda s ASP 112 Cb -0.13 -2.49 -0.01 0.00 -1.46 0.00 0.00 42.92 38.83 1jda s ASP 112 CO 0.18 -0.28 -0.21 0.68 0.52 0.00 0.00 175.17 176.06 1jda s VAL 113 N 1.40 1.70 -0.70 1.11 -7.23 0.30 -4.24 120.40 112.75 1jda s VAL 113 Ca 0.44 -0.87 0.05 0.00 -1.81 0.00 0.00 61.98 59.78 1jda s VAL 113 Cb -0.18 -1.44 0.25 0.00 0.56 0.00 0.00 36.38 35.56 1jda s VAL 113 CO 0.19 0.48 0.80 0.52 -0.31 0.00 0.00 175.10 176.78 1jda n VAL 114 N 2.98 2.61 0.48 1.32 0.31 -1.26 -0.64 118.33 124.13 1jda n VAL 114 Ca -0.17 -5.26 0.13 0.00 -0.01 0.00 0.00 64.34 59.02 1jda n VAL 114 Cb 0.53 -2.11 0.46 0.00 -0.91 0.00 0.00 33.84 31.80 1jda n VAL 114 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1jda h PRO 115 N 4.45 0.00 -0.30 5.55 0.13 -1.98 -3.36 132.00 136.50 1jda h PRO 115 Ca 0.19 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.19 1jda h PRO 115 Cb 0.67 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1jda h PRO 115 CO 0.88 0.00 -0.37 -0.97 -0.23 0.00 0.00 178.00 177.31 1jda h ASN 116 N 0.00 0.72 -5.14 1.44 -1.24 -1.89 -3.44 115.58 106.03 1jda h ASN 116 Ca 0.00 -0.31 -0.06 0.00 0.71 0.00 0.00 56.30 56.64 1jda h ASN 116 Cb 0.55 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.37 1jda h ASN 116 CO 0.00 1.01 0.13 -1.38 -1.29 0.00 0.00 177.43 175.90 1jda s HIS 117 N -4.34 0.29 0.17 0.67 -3.43 -1.26 -1.60 115.29 105.79 1jda s HIS 117 Ca -0.08 -0.80 -0.16 0.00 -0.80 0.00 0.00 55.06 53.21 1jda s HIS 117 Cb 0.12 0.55 0.03 0.00 -1.43 0.00 0.00 32.58 31.85 1jda s HIS 117 CO 0.84 -1.36 0.46 0.00 -2.00 0.00 0.00 174.74 172.68 1jda s MET 118 N -2.93 1.26 -1.25 -0.38 0.23 -0.93 -4.84 119.30 110.46 1jda s MET 118 Ca 0.19 -0.84 -0.19 0.00 -1.03 0.00 0.00 55.69 53.81 1jda s MET 118 Cb -0.04 0.49 0.01 0.00 -1.53 0.00 0.00 34.83 33.76 1jda s MET 118 CO 0.12 -0.52 1.87 -1.71 -2.03 0.00 0.00 175.02 172.76 1jda n ASN 119 N -0.29 4.12 -0.08 -1.18 4.05 0.29 -4.75 115.26 117.43 1jda n ASN 119 Ca -0.12 -2.83 -0.07 0.00 0.45 0.00 0.00 54.58 52.01 1jda n ASN 119 Cb 0.63 -1.69 -0.01 0.00 1.23 0.00 0.00 39.78 39.94 1jda n ASN 119 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 1jda h ARG 120 N 7.92 -0.21 -0.92 1.20 2.43 -1.89 -2.32 114.38 120.59 1jda h ARG 120 Ca 0.41 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.57 1jda h ARG 120 Cb 0.84 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 1jda h ARG 120 CO 1.50 -0.14 0.02 0.41 -1.51 0.00 0.00 179.97 180.25 1jda n GLY 121 N -1.38 1.95 3.75 2.80 0.00 -1.26 -4.89 105.19 106.16 1jda n GLY 121 Ca 0.00 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 1jda n GLY 121 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jda s TYR 122 N -1.30 3.78 0.00 1.61 5.04 -0.87 -5.02 117.35 120.58 1jda s TYR 122 Ca 0.12 1.51 0.00 0.00 -2.44 0.00 0.00 57.07 56.27 1jda s TYR 122 Cb 0.10 -2.81 0.00 0.00 0.35 0.00 0.00 41.96 39.60 1jda s TYR 122 CO 0.03 0.33 0.41 -0.35 -1.34 0.00 0.00 175.55 174.64 1jda n PRO 123 N 2.54 0.00 -2.54 4.97 -0.04 -1.26 -4.46 135.00 134.20 1jda n PRO 123 Ca -0.03 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.02 1jda n PRO 123 Cb 0.50 -0.91 -0.03 0.00 -0.04 0.00 0.00 33.50 33.02 1jda n PRO 123 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1jda s ASP 124 N -1.91 6.26 0.01 3.54 2.15 -1.26 -4.94 116.67 120.52 1jda s ASP 124 Ca 0.00 -0.82 -0.09 0.00 0.43 0.00 0.00 52.55 52.07 1jda s ASP 124 Cb 0.00 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 40.06 1jda s ASP 124 CO 0.00 -1.73 0.18 -1.59 -0.17 0.00 0.00 175.17 171.86 1jda s LYS 125 N 5.49 0.57 0.11 4.34 -2.85 -1.26 -5.05 119.74 121.09 1jda s LYS 125 Ca 0.40 -0.44 0.26 0.00 -1.00 0.00 0.00 55.97 55.19 1jda s LYS 125 Cb -0.05 0.24 0.70 0.00 -2.06 0.00 0.00 37.83 36.66 1jda s LYS 125 CO 0.06 -0.15 1.61 0.39 0.10 0.00 0.00 175.35 177.35 1jda n GLU 126 N 1.19 0.19 -3.97 1.78 1.02 -1.26 -4.81 120.64 114.77 1jda n GLU 126 Ca -0.21 0.10 -0.34 0.00 -0.02 0.00 0.00 57.16 56.68 1jda n GLU 126 Cb 0.57 -1.67 -0.14 0.00 -0.02 0.00 0.00 31.44 30.18 1jda n GLU 126 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1jda s ILE 127 N -3.09 2.83 -0.22 -3.67 1.01 -1.26 -5.06 121.20 111.74 1jda s ILE 127 Ca 0.10 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.75 1jda s ILE 127 Cb 0.15 -2.42 0.06 0.00 0.01 0.00 0.00 42.46 40.26 1jda s ILE 127 CO 0.64 0.23 -0.02 0.20 0.00 0.00 0.00 174.94 175.99 1jda s ASN 128 N 1.33 3.54 -0.38 3.58 -0.87 -1.26 -4.99 114.94 115.89 1jda s ASN 128 Ca 0.01 -1.06 -0.08 0.00 -1.57 0.00 0.00 52.86 50.15 1jda s ASN 128 Cb -0.16 -0.98 0.05 0.00 -0.02 0.00 0.00 41.25 40.14 1jda s ASN 128 CO -0.05 -0.26 0.19 -0.76 -2.57 0.00 0.00 177.10 173.65 1jda s LEU 129 N 1.55 4.74 0.88 0.60 1.43 -1.26 -5.09 118.68 121.53 1jda s LEU 129 Ca -0.04 -1.27 -0.10 0.00 -1.03 0.00 0.00 54.13 51.68 1jda s LEU 129 Cb -0.18 -1.94 0.13 0.00 0.03 0.00 0.00 46.19 44.22 1jda s LEU 129 CO -0.07 -0.42 1.12 -2.84 0.23 0.00 0.00 176.35 174.37 1jda s PRO 130 N 1.44 1.30 0.57 1.29 0.02 -1.26 -4.99 135.00 133.36 1jda s PRO 130 Ca 0.01 1.34 -0.09 0.00 0.02 0.00 0.00 61.00 62.28 1jda s PRO 130 Cb -0.21 -1.78 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 1jda s PRO 130 CO 0.03 -2.37 0.94 0.00 -0.33 0.00 0.00 177.00 175.27 1jda s ALA 131 N -2.74 3.21 -0.22 -1.55 0.00 -1.26 -4.55 121.76 114.65 1jda s ALA 131 Ca 0.65 -0.28 -0.03 0.00 0.00 0.00 0.00 51.96 52.30 1jda s ALA 131 Cb -0.21 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1jda s ALA 131 CO 0.58 -0.59 0.08 0.41 0.00 0.00 0.00 175.76 176.24 1jda n GLY 132 N -2.58 -2.36 0.00 0.00 0.00 -1.26 -4.87 105.19 94.13 1jda n GLY 132 Ca 0.04 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1jda n GLY 132 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jda n GLN 133 N 0.78 0.00 -1.73 1.61 1.13 -1.26 -4.99 117.38 112.92 1jda n GLN 133 Ca 0.00 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.03 1jda n GLN 133 Cb 0.25 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.59 1jda n GLN 133 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jda n GLY 134 N 0.00 0.37 0.12 1.08 0.00 -1.26 -4.98 105.19 100.53 1jda n GLY 134 Ca 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 46.02 45.24 1jda n GLY 134 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1jda h PHE 135 N 0.00 0.00 -2.88 1.61 0.04 -1.93 -3.44 116.94 110.34 1jda h PHE 135 Ca -0.08 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.09 1jda h PHE 135 Cb 0.77 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.82 1jda h PHE 135 CO 0.09 0.48 -0.64 -1.58 -0.60 0.00 0.00 178.31 176.07 1jda s TRP 136 N -2.98 2.92 0.11 -0.55 0.52 -1.26 -0.39 118.94 117.30 1jda s TRP 136 Ca 0.01 -0.10 -0.16 0.00 0.02 0.00 0.00 56.10 55.87 1jda s TRP 136 Cb 0.08 -1.42 -0.04 0.00 -1.15 0.00 0.00 33.47 30.94 1jda s TRP 136 CO 0.77 0.52 1.56 -0.09 0.02 0.00 0.00 176.95 179.73 1jda h ARG 137 N 2.70 0.60 0.00 4.98 2.43 -1.03 -2.63 114.38 121.43 1jda h ARG 137 Ca -0.47 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.52 1jda h ARG 137 Cb 1.20 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1jda h ARG 137 CO 0.59 0.71 0.00 0.27 -1.51 0.00 0.00 179.97 180.03 1jda n ASN 138 N -4.53 0.00 0.27 -3.80 6.94 -1.26 -1.84 115.26 111.04 1jda n ASN 138 Ca -0.02 -0.53 0.16 0.00 -0.02 0.00 0.00 54.58 54.18 1jda n ASN 138 Cb 0.26 0.00 0.61 0.00 -2.36 0.00 0.00 39.78 38.29 1jda n ASN 138 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1jda h ASP 139 N 0.00 0.00 -1.19 0.53 3.32 -1.84 -3.44 116.42 113.80 1jda h ASP 139 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1jda h ASP 139 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1jda h ASP 139 CO 0.00 0.01 -0.32 0.00 -1.72 0.00 0.00 179.24 177.21 1jda s ALA 141 N -2.57 3.58 -0.59 0.00 0.00 -1.26 -4.97 121.76 115.95 1jda s ALA 141 Ca 0.46 1.27 0.05 0.00 0.00 0.00 0.00 51.96 53.74 1jda s ALA 141 Cb -0.03 -3.52 0.17 0.00 0.00 0.00 0.00 23.12 19.73 1jda s ALA 141 CO 0.28 -0.68 0.43 0.34 0.00 0.00 0.00 175.76 176.13 1jda s ASP 142 N 0.15 3.47 0.37 0.00 2.15 -1.26 -4.63 116.67 116.91 1jda s ASP 142 Ca 0.56 -3.54 0.05 0.00 0.43 0.00 0.00 52.55 50.05 1jda s ASP 142 Cb -0.40 -1.15 0.75 0.00 -0.30 0.00 0.00 42.92 41.81 1jda s ASP 142 CO 0.45 -0.12 2.01 -0.65 -0.17 0.00 0.00 175.17 176.69 1jda h PRO 143 N 5.49 0.70 0.00 4.34 0.11 -1.93 -3.47 132.00 137.24 1jda h PRO 143 Ca 0.20 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1jda h PRO 143 Cb 0.82 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1jda h PRO 143 CO 0.58 0.47 0.00 0.41 -0.21 0.00 0.00 178.00 179.24 1jda n GLY 144 N -1.46 -1.23 3.12 -0.55 0.00 -1.26 -5.01 105.19 98.80 1jda n GLY 144 Ca 0.07 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 1jda n GLY 144 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jda n ASN 145 N 0.23 2.35 -3.86 1.61 4.05 -1.26 -4.63 115.26 113.75 1jda n ASN 145 Ca 0.00 -2.57 -0.10 0.00 0.45 0.00 0.00 54.58 52.37 1jda n ASN 145 Cb 0.00 -0.95 -0.08 0.00 1.23 0.00 0.00 39.78 39.98 1jda n ASN 145 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 1jda s TYR 146 N 5.24 0.11 0.34 1.20 -0.85 -1.26 -4.81 117.35 117.32 1jda s TYR 146 Ca 0.55 -0.44 -0.29 0.00 -0.52 0.00 0.00 57.07 56.38 1jda s TYR 146 Cb 0.13 -0.05 -0.11 0.00 0.38 0.00 0.00 41.96 42.31 1jda s TYR 146 CO 0.14 -0.48 1.53 -2.14 -1.52 0.00 0.00 175.55 173.08 1jda s PRO 147 N -3.20 4.11 0.46 -3.49 0.02 -1.24 -4.81 135.00 126.84 1jda s PRO 147 Ca -0.00 2.58 0.01 0.00 0.02 0.00 0.00 61.00 63.61 1jda s PRO 147 Cb 0.02 -2.99 -0.00 0.00 0.02 0.00 0.00 34.50 31.55 1jda s PRO 147 CO -0.07 -0.58 0.03 0.27 -0.33 0.00 0.00 177.00 176.32 1jda n ASN 148 N 1.13 2.87 0.02 2.53 0.23 -0.63 -4.99 115.26 116.43 1jda n ASN 148 Ca 0.04 -3.11 0.07 0.00 -0.53 0.00 0.00 54.58 51.05 1jda n ASN 148 Cb 0.38 0.48 0.32 0.00 -2.08 0.00 0.00 39.78 38.89 1jda n ASN 148 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1jda n ASP 149 N -1.35 0.12 -0.55 0.53 8.00 -1.26 -2.90 116.55 119.14 1jda n ASP 149 Ca -0.17 0.53 0.06 0.00 0.71 0.00 0.00 54.79 55.92 1jda n ASP 149 Cb 0.61 -0.56 0.15 0.00 -0.02 0.00 0.00 41.12 41.30 1jda n ASP 149 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jda s ASP 151 N -1.38 -0.20 -0.02 0.00 -1.08 -1.14 -3.67 116.67 109.18 1jda s ASP 151 Ca 0.25 0.08 0.00 0.00 -0.52 0.00 0.00 52.55 52.37 1jda s ASP 151 Cb 0.17 1.15 0.03 0.00 -1.46 0.00 0.00 42.92 42.81 1jda s ASP 151 CO 0.10 -0.04 0.95 -0.90 0.52 0.00 0.00 175.17 175.81 1jda n ASP 152 N 5.33 2.70 -2.22 -0.34 5.68 -1.26 -1.60 116.55 124.85 1jda n ASP 152 Ca -0.02 -2.07 -0.09 0.00 -0.50 0.00 0.00 54.79 52.11 1jda n ASP 152 Cb 0.56 -0.51 -0.01 0.00 -1.14 0.00 0.00 41.12 40.01 1jda n ASP 152 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jda n GLY 153 N 0.35 2.37 3.68 6.12 0.00 -1.24 -3.88 105.19 112.58 1jda n GLY 153 Ca 0.03 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 1jda n GLY 153 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jda s ASP 154 N -2.34 2.34 0.32 1.61 1.01 0.83 -3.74 116.67 116.71 1jda s ASP 154 Ca 0.17 1.00 0.09 0.00 0.71 0.00 0.00 52.55 54.52 1jda s ASP 154 Cb -0.01 -1.56 -0.04 0.00 1.01 0.00 0.00 42.92 42.32 1jda s ASP 154 CO 0.12 -3.29 0.08 0.00 0.21 0.00 0.00 175.17 172.29 1jda s ARG 155 N -5.12 2.29 -0.35 8.23 1.70 -1.26 -4.31 118.95 120.14 1jda s ARG 155 Ca 0.67 -1.55 -0.12 0.00 -0.47 0.00 0.00 55.73 54.25 1jda s ARG 155 Cb -0.16 -2.12 -0.00 0.00 -0.57 0.00 0.00 34.95 32.10 1jda s ARG 155 CO 0.57 0.18 0.23 0.12 -1.08 0.00 0.00 175.30 175.31 1jda s PHE 156 N -2.42 3.22 0.00 5.89 5.36 -1.26 -4.88 117.98 123.89 1jda s PHE 156 Ca 0.35 -0.44 0.00 0.00 -0.96 0.00 0.00 56.93 55.88 1jda s PHE 156 Cb -0.03 -2.46 0.00 0.00 -0.34 0.00 0.00 43.02 40.19 1jda s PHE 156 CO 0.21 -0.45 0.00 -0.89 -1.46 0.00 0.00 175.22 172.63 1jda n ILE 157 N 5.07 0.00 -0.27 3.12 5.41 -1.26 -0.36 119.36 131.07 1jda n ILE 157 Ca -0.13 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.58 1jda n ILE 157 Cb 0.49 0.00 0.10 0.00 -0.71 0.00 0.00 39.64 39.52 1jda n ILE 157 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1jda h GLY 158 N 0.00 1.22 0.00 7.39 0.00 -2.05 -3.47 103.07 106.15 1jda h GLY 158 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1jda h GLY 158 CO 0.00 0.60 0.00 0.61 0.00 0.00 0.00 176.54 177.75 1jda n GLY 159 N -0.96 0.78 0.09 4.60 0.00 0.51 -4.95 105.19 105.26 1jda n GLY 159 Ca 0.07 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.87 1jda n GLY 159 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1jda h ASP 160 N 0.00 0.00 -0.02 1.61 2.03 -1.92 -3.29 116.42 114.83 1jda h ASP 160 Ca 0.00 -0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.20 1jda h ASP 160 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1jda h ASP 160 CO 0.00 0.05 -0.03 0.00 -1.03 0.00 0.00 179.24 178.23 1jda n ALA 161 N -1.82 2.54 -2.17 4.15 0.00 -1.26 -4.87 120.51 117.08 1jda n ALA 161 Ca 0.04 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.47 1jda n ALA 161 Cb 0.44 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 1jda n ALA 161 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jda s ASP 162 N -1.16 6.81 0.49 0.00 1.11 -1.24 -2.20 116.67 120.49 1jda s ASP 162 Ca 0.15 2.24 -0.06 0.00 0.18 0.00 0.00 52.55 55.06 1jda s ASP 162 Cb 0.11 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.49 1jda s ASP 162 CO 0.18 -0.71 0.80 -0.76 1.18 0.00 0.00 175.17 175.86 1jda s LEU 163 N 1.96 3.60 -1.18 1.23 1.43 -0.63 -0.78 118.68 124.31 1jda s LEU 163 Ca 0.65 0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 54.60 1jda s LEU 163 Cb -0.34 -3.92 0.21 0.00 0.03 0.00 0.00 46.19 42.17 1jda s LEU 163 CO 0.29 -0.60 1.38 -3.20 0.23 0.00 0.00 176.35 174.46 1jda n ASN 164 N -2.29 5.38 0.06 2.29 5.15 0.47 -4.48 115.26 121.83 1jda n ASN 164 Ca 0.01 -3.03 0.03 0.00 -0.60 0.00 0.00 54.58 50.98 1jda n ASN 164 Cb 0.55 -1.49 0.15 0.00 -0.53 0.00 0.00 39.78 38.46 1jda n ASN 164 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1jda n THR 165 N 3.70 1.24 0.19 -0.44 -2.24 -1.26 -0.01 114.28 115.45 1jda n THR 165 Ca 0.33 0.58 0.12 0.00 -2.27 0.00 0.00 64.05 62.81 1jda n THR 165 Cb 0.40 -1.58 0.10 0.00 -2.10 0.00 0.00 70.33 67.15 1jda n THR 165 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1jda h GLY 166 N 0.00 0.00 -5.11 3.38 0.00 -1.92 -3.26 103.07 96.16 1jda h GLY 166 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1jda h GLY 166 CO 0.00 0.00 1.11 -1.58 0.00 0.00 0.00 176.54 176.07 1jda s HIS 167 N -3.28 1.98 0.40 5.60 2.46 0.98 -4.79 115.29 118.64 1jda s HIS 167 Ca 0.04 -0.01 0.23 0.00 0.47 0.00 0.00 55.06 55.79 1jda s HIS 167 Cb 0.08 -4.10 1.27 0.00 -0.13 0.00 0.00 32.58 29.70 1jda s HIS 167 CO 0.73 -4.63 1.66 -1.35 -2.47 0.00 0.00 174.74 168.68 1jda h PRO 168 N 9.16 0.20 0.00 2.88 0.11 -1.88 0.67 132.00 143.13 1jda h PRO 168 Ca -0.45 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.44 1jda h PRO 168 Cb 1.21 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1jda h PRO 168 CO 0.94 0.13 -0.97 0.37 -0.21 0.00 0.00 178.00 178.26 1jda h GLN 169 N 0.20 0.00 0.06 1.05 4.15 -1.95 -1.66 115.11 116.97 1jda h GLN 169 Ca 0.76 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.90 1jda h GLN 169 Cb 2.11 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.78 1jda h GLN 169 CO -0.47 0.97 -1.44 0.28 -1.93 0.00 0.00 178.83 176.25 1jda h VAL 170 N 0.00 1.22 -0.01 2.39 2.07 -0.30 -3.14 116.25 118.49 1jda h VAL 170 Ca -0.01 -2.93 -0.00 0.00 0.82 0.00 0.00 66.70 64.58 1jda h VAL 170 Cb 1.74 2.70 -0.00 0.00 -1.52 0.00 0.00 31.29 34.21 1jda h VAL 170 CO 0.13 0.79 0.00 0.22 0.02 0.00 0.00 177.57 178.73 1jda h TYR 171 N 0.04 0.01 -0.15 1.57 5.03 0.01 -2.92 116.97 120.55 1jda h TYR 171 Ca -0.19 -0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.07 1jda h TYR 171 Cb 1.95 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 40.22 1jda h TYR 171 CO 0.03 0.16 -0.12 0.78 -1.32 0.00 0.00 178.16 177.69 1jda h GLY 172 N -0.14 0.26 0.93 1.82 0.00 -1.43 -1.75 103.07 102.75 1jda h GLY 172 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 1jda h GLY 172 CO -0.00 0.15 0.03 1.98 0.00 0.00 0.00 176.54 178.70 1jda h MET 173 N 0.23 0.08 -0.36 4.80 1.85 -1.51 -0.54 114.93 119.48 1jda h MET 173 Ca 0.05 -0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 59.04 1jda h MET 173 Cb 0.36 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.37 1jda h MET 173 CO 0.02 0.13 -0.10 0.74 -0.40 0.00 0.00 176.91 177.30 1jda h PHE 174 N 0.00 0.80 -0.71 1.39 0.04 -1.29 -1.86 116.94 115.31 1jda h PHE 174 Ca 0.02 -0.18 0.06 0.00 2.80 0.00 0.00 57.97 60.68 1jda h PHE 174 Cb 0.08 -0.19 -0.06 0.00 2.20 0.00 0.00 35.95 37.98 1jda h PHE 174 CO -0.05 0.87 0.40 -0.09 -0.60 0.00 0.00 178.31 178.84 1jda h ARG 175 N 0.50 0.71 -0.40 1.51 1.12 -1.17 0.15 114.38 116.80 1jda h ARG 175 Ca 0.09 -0.04 -0.10 0.00 -1.11 0.00 0.00 59.98 58.82 1jda h ARG 175 Cb 0.61 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.40 1jda h ARG 175 CO 0.04 0.47 -0.13 -0.44 -3.11 0.00 0.00 179.97 176.79 1jda h ASP 176 N 0.73 0.80 -0.74 -3.80 3.32 -0.94 -2.61 116.42 113.19 1jda h ASP 176 Ca 0.32 -0.38 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 1jda h ASP 176 Cb 0.21 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1jda h ASP 176 CO -0.19 1.00 0.29 -0.08 -1.72 0.00 0.00 179.24 178.55 1jda h GLU 177 N 0.60 1.11 -0.81 3.56 4.57 -0.85 -0.68 114.58 122.07 1jda h GLU 177 Ca 0.10 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1jda h GLU 177 Cb 0.67 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 1jda h GLU 177 CO 0.05 0.91 0.46 0.74 -1.18 0.00 0.00 179.01 179.98 1jda h PHE 178 N 1.06 1.09 -0.40 0.92 0.04 -0.80 -0.67 116.94 118.19 1jda h PHE 178 Ca 0.25 -0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.87 1jda h PHE 178 Cb 0.21 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 1jda h PHE 178 CO 0.02 0.75 -0.26 1.15 -0.60 0.00 0.00 178.31 179.36 1jda h THR 179 N 1.12 1.27 -0.31 -1.55 2.02 -1.19 -2.51 112.91 111.76 1jda h THR 179 Ca 0.29 -1.41 0.02 0.00 0.77 0.00 0.00 66.41 66.08 1jda h THR 179 Cb 0.00 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1jda h THR 179 CO -0.05 0.47 0.14 -1.13 0.37 0.00 0.00 175.52 175.33 1jda h ASN 180 N 0.72 0.21 -0.00 4.18 -0.00 -0.75 0.36 115.58 120.29 1jda h ASN 180 Ca 0.09 0.02 -0.05 0.00 -0.00 0.00 0.00 56.30 56.36 1jda h ASN 180 Cb 0.80 -0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 39.09 1jda h ASN 180 CO 0.07 0.16 -0.11 0.25 -0.00 0.00 0.00 177.43 177.79 1jda h LEU 181 N 0.30 0.24 0.17 0.34 5.85 -0.98 -1.55 115.31 119.69 1jda h LEU 181 Ca 0.13 -0.05 -0.23 0.00 0.84 0.00 0.00 57.88 58.57 1jda h LEU 181 Cb 0.06 -0.06 0.03 0.00 0.37 0.00 0.00 40.66 41.05 1jda h LEU 181 CO -0.10 0.39 -1.01 0.03 -0.34 0.00 0.00 178.44 177.41 1jda h ARG 182 N 0.25 0.39 0.00 1.25 3.08 -0.98 -0.65 114.38 117.72 1jda h ARG 182 Ca 0.05 -0.65 -0.11 0.00 0.07 0.00 0.00 59.98 59.34 1jda h ARG 182 Cb 0.36 0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1jda h ARG 182 CO 0.02 1.30 -0.78 0.66 -1.07 0.00 0.00 179.97 180.10 1jda h SER 183 N -0.17 0.00 0.00 7.04 4.64 -0.16 -3.36 113.55 121.54 1jda h SER 183 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1jda h SER 183 Cb 1.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 1jda h SER 183 CO 0.19 0.48 -0.35 0.00 -0.87 0.00 0.00 176.83 176.28 1jda n GLN 184 N -3.10 4.77 -0.16 4.77 6.02 -0.60 -4.77 117.38 124.32 1jda n GLN 184 Ca -0.01 -0.01 0.04 0.00 -0.01 0.00 0.00 57.00 57.01 1jda n GLN 184 Cb 0.75 -0.75 0.06 0.00 1.02 0.00 0.00 30.24 31.32 1jda n GLN 184 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1jda n TYR 185 N -1.18 0.00 -2.78 1.08 4.01 -0.74 -4.97 117.16 112.58 1jda n TYR 185 Ca 0.00 -0.53 -0.17 0.00 -0.16 0.00 0.00 57.90 57.05 1jda n TYR 185 Cb 0.06 -0.09 -0.00 0.00 -0.31 0.00 0.00 39.34 39.01 1jda n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jda n GLY 186 N -0.72 -0.50 3.71 2.72 0.00 -1.09 -4.83 105.19 104.48 1jda n GLY 186 Ca 0.07 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1jda n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jda n ALA 187 N -2.74 1.66 0.70 4.61 0.00 -0.33 -4.31 120.51 120.10 1jda n ALA 187 Ca -0.11 0.38 0.07 0.00 0.00 0.00 0.00 53.44 53.79 1jda n ALA 187 Cb 0.59 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.68 1jda n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jda n GLY 188 N 1.52 -0.19 0.00 0.00 0.00 0.19 -4.65 105.19 102.06 1jda n GLY 188 Ca 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1jda n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jda n GLY 189 N 1.22 -0.13 3.13 -0.02 0.00 -1.17 -2.80 105.19 105.42 1jda n GLY 189 Ca 0.05 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 1jda n GLY 189 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jda s PHE 190 N -2.00 1.19 -0.30 1.61 0.08 -0.59 -1.05 117.98 116.92 1jda s PHE 190 Ca 0.00 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 56.73 1jda s PHE 190 Cb 0.00 -0.72 0.06 0.00 -0.57 0.00 0.00 43.02 41.79 1jda s PHE 190 CO 0.00 0.02 -0.01 0.50 -0.10 0.00 0.00 175.22 175.63 1jda s ARG 191 N -0.94 2.22 -0.01 0.44 3.00 0.74 -1.91 118.95 122.50 1jda s ARG 191 Ca 0.02 -1.42 -0.28 0.00 -1.00 0.00 0.00 55.73 53.05 1jda s ARG 191 Cb -0.07 -3.14 -0.04 0.00 0.00 0.00 0.00 34.95 31.70 1jda s ARG 191 CO 0.01 -0.69 0.89 -0.06 0.00 0.00 0.00 175.30 175.45 1jda s PHE 192 N 1.16 3.65 -0.06 5.12 0.40 0.67 -0.54 117.98 128.38 1jda s PHE 192 Ca -0.03 1.57 -0.10 0.00 -0.60 0.00 0.00 56.93 57.77 1jda s PHE 192 Cb -0.20 -3.01 -0.05 0.00 0.51 0.00 0.00 43.02 40.27 1jda s PHE 192 CO -0.03 0.05 0.25 0.34 0.70 0.00 0.00 175.22 176.53 1jda s ASP 193 N 0.81 6.56 -1.20 1.36 2.15 0.19 -2.24 116.67 124.30 1jda s ASP 193 Ca 0.47 0.67 -0.17 0.00 0.43 0.00 0.00 52.55 53.95 1jda s ASP 193 Cb -0.20 -2.14 -0.00 0.00 -0.30 0.00 0.00 42.92 40.27 1jda s ASP 193 CO 0.25 0.37 0.71 0.33 -0.17 0.00 0.00 175.17 176.66 1jda n PHE 194 N 1.86 -1.83 0.25 -5.34 7.35 -1.24 -4.67 117.46 113.84 1jda n PHE 194 Ca -0.17 0.50 0.18 0.00 -0.76 0.00 0.00 57.45 57.19 1jda n PHE 194 Cb 0.54 -3.49 0.86 0.00 0.35 0.00 0.00 39.48 37.73 1jda n PHE 194 CO 0.00 0.00 0.00 -0.24 -0.76 0.00 0.00 176.76 175.76 1jda h VAL 195 N -1.93 0.19 -0.00 -2.13 3.04 -1.81 0.24 116.25 113.85 1jda h VAL 195 Ca -0.66 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 1jda h VAL 195 Cb 1.37 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 1jda h VAL 195 CO 0.51 0.00 -0.00 -2.11 -1.01 0.00 0.00 177.57 174.96 1jda n ARG 196 N -3.30 0.12 0.00 4.17 1.85 -1.26 -3.27 116.66 114.97 1jda n ARG 196 Ca 0.01 -0.00 0.14 0.00 -1.00 0.00 0.00 57.85 57.00 1jda n ARG 196 Cb 0.38 -1.50 0.63 0.00 -1.05 0.00 0.00 32.46 30.92 1jda n ARG 196 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1jda n GLY 197 N 1.44 -1.23 3.52 2.89 0.00 0.84 -0.12 105.19 112.53 1jda n GLY 197 Ca 0.09 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 1jda n GLY 197 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jda s TYR 198 N -2.69 -0.45 0.33 1.61 -0.85 -1.20 -3.63 117.35 110.47 1jda s TYR 198 Ca 0.23 0.19 -0.28 0.00 -0.52 0.00 0.00 57.07 56.69 1jda s TYR 198 Cb 0.20 0.59 -0.12 0.00 0.38 0.00 0.00 41.96 43.01 1jda s TYR 198 CO 0.51 -0.92 1.30 0.00 -1.52 0.00 0.00 175.55 174.92 1jda n ALA 199 N -0.39 1.31 0.23 9.51 0.00 -1.25 -4.77 120.51 125.15 1jda n ALA 199 Ca -0.14 0.36 0.06 0.00 0.00 0.00 0.00 53.44 53.73 1jda n ALA 199 Cb 0.64 -2.26 0.52 0.00 0.00 0.00 0.00 19.45 18.35 1jda n ALA 199 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1jda h PRO 200 N 2.69 0.00 0.00 0.00 0.11 -1.91 -2.66 132.00 130.23 1jda h PRO 200 Ca -0.46 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 1jda h PRO 200 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1jda h PRO 200 CO 0.64 0.18 -0.27 0.93 -0.21 0.00 0.00 178.00 179.27 1jda h GLU 201 N 0.00 0.00 -0.10 1.05 3.07 -1.91 -1.65 114.58 115.04 1jda h GLU 201 Ca -0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 1jda h GLU 201 Cb 0.32 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1jda h GLU 201 CO 0.02 0.27 -0.55 -0.09 -1.40 0.00 0.00 179.01 177.26 1jda h ARG 202 N 0.00 0.29 -0.46 2.33 2.43 -1.80 -1.27 114.38 115.91 1jda h ARG 202 Ca -0.00 -0.18 -0.11 0.00 -0.81 0.00 0.00 59.98 58.87 1jda h ARG 202 Cb 0.56 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1jda h ARG 202 CO 0.03 0.77 -0.15 0.28 -1.51 0.00 0.00 179.97 179.39 1jda h VAL 203 N 0.22 1.27 -0.58 0.20 2.07 -1.36 0.20 116.25 118.27 1jda h VAL 203 Ca 0.00 -1.27 -0.09 0.00 0.82 0.00 0.00 66.70 66.17 1jda h VAL 203 Cb 1.04 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1jda h VAL 203 CO 0.09 0.43 0.01 -1.13 0.02 0.00 0.00 177.57 176.99 1jda h ASN 204 N 0.77 0.97 0.66 0.57 -0.00 -1.42 -0.60 115.58 116.53 1jda h ASN 204 Ca 0.12 -0.26 -0.03 0.00 -0.00 0.00 0.00 56.30 56.13 1jda h ASN 204 Cb 0.68 -0.26 -0.01 0.00 -0.00 0.00 0.00 38.32 38.73 1jda h ASN 204 CO 0.05 1.01 -0.49 0.28 -0.00 0.00 0.00 177.43 178.28 1jda h SER 205 N 0.91 -1.29 -0.89 1.15 0.02 -0.23 0.28 113.55 113.50 1jda h SER 205 Ca 0.17 0.09 0.16 0.00 -0.84 0.00 0.00 61.79 61.37 1jda h SER 205 Cb 0.52 0.40 -0.10 0.00 0.14 0.00 0.00 62.40 63.36 1jda h SER 205 CO 0.03 -0.71 0.48 -0.50 -1.14 0.00 0.00 176.83 174.98 1jda h TRP 206 N -1.11 0.83 -0.12 3.45 6.55 -0.46 -1.25 115.95 123.85 1jda h TRP 206 Ca -0.09 0.03 -0.23 0.00 0.95 0.00 0.00 58.89 59.56 1jda h TRP 206 Cb 0.92 -0.23 0.01 0.00 -0.86 0.00 0.00 29.16 29.00 1jda h TRP 206 CO -0.17 0.18 -0.83 0.52 -1.05 0.00 0.00 178.44 177.09 1jda h MET 207 N 0.64 0.77 -0.74 0.49 2.86 -0.81 -1.99 114.93 116.15 1jda h MET 207 Ca 0.50 -0.67 -0.04 0.00 -2.06 0.00 0.00 59.70 57.42 1jda h MET 207 Cb 0.75 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 1jda h MET 207 CO -0.38 1.27 0.29 1.15 1.06 0.00 0.00 176.91 180.29 1jda h THR 208 N 0.50 1.25 -0.11 2.22 2.02 -0.37 0.23 112.91 118.65 1jda h THR 208 Ca -0.07 -0.81 -0.22 0.00 0.77 0.00 0.00 66.41 66.08 1jda h THR 208 Cb 1.47 0.40 0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1jda h THR 208 CO 0.17 0.33 -0.80 0.44 0.37 0.00 0.00 175.52 176.02 1jda h ASP 209 N 1.07 0.81 0.00 4.18 3.32 -1.26 -3.40 116.42 121.14 1jda h ASP 209 Ca 0.24 -0.55 -0.27 0.00 0.02 0.00 0.00 57.03 56.48 1jda h ASP 209 Cb 0.23 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 1jda h ASP 209 CO -0.02 1.33 -2.01 -1.20 -1.72 0.00 0.00 179.24 175.62 1jda n SER 210 N -3.89 1.58 -2.70 6.45 7.64 -0.75 -4.93 113.62 117.02 1jda n SER 210 Ca -0.07 -0.02 -0.07 0.00 1.01 0.00 0.00 58.87 59.73 1jda n SER 210 Cb 0.76 0.67 0.09 0.00 -1.01 0.00 0.00 64.21 64.72 1jda n SER 210 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jda n ALA 211 N -2.62 -0.99 -0.30 -0.43 0.00 -0.31 -4.71 120.51 111.15 1jda n ALA 211 Ca -0.25 -1.11 0.31 0.00 0.00 0.00 0.00 53.44 52.39 1jda n ALA 211 Cb 0.96 -1.52 0.68 0.00 0.00 0.00 0.00 19.45 19.57 1jda n ALA 211 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1jda h ASP 212 N 2.44 0.12 -0.29 0.00 3.58 -0.82 -1.56 116.42 119.89 1jda h ASP 212 Ca -0.23 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1jda h ASP 212 Cb 1.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 1jda h ASP 212 CO 0.03 0.02 0.00 0.59 -2.88 0.00 0.00 179.24 177.00 1jda n ASN 213 N -4.32 3.07 -4.24 2.28 3.02 -1.26 -4.88 115.26 108.94 1jda n ASN 213 Ca 0.25 -1.89 -0.29 0.00 -0.03 0.00 0.00 54.58 52.61 1jda n ASN 213 Cb 1.11 -0.18 0.17 0.00 -0.61 0.00 0.00 39.78 40.27 1jda n ASN 213 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1jda s SER 214 N -1.33 3.32 0.09 6.41 0.01 -0.59 -4.87 113.70 116.75 1jda s SER 214 Ca 0.31 0.30 -0.20 0.00 1.31 0.00 0.00 55.95 57.67 1jda s SER 214 Cb 0.18 -0.41 -0.07 0.00 0.21 0.00 0.00 66.02 65.93 1jda s SER 214 CO 0.26 -2.61 0.61 0.12 0.41 0.00 0.00 173.24 172.02 1jda s PHE 215 N -3.83 3.81 0.03 2.43 5.36 -1.12 -4.73 117.98 119.93 1jda s PHE 215 Ca 0.72 1.33 -0.00 0.00 -0.96 0.00 0.00 56.93 58.02 1jda s PHE 215 Cb -0.05 -2.54 -0.03 0.00 -0.34 0.00 0.00 43.02 40.07 1jda s PHE 215 CO 0.52 0.57 -0.03 0.00 -1.46 0.00 0.00 175.22 174.82 1jda s VAL 217 N -2.30 -0.00 0.07 0.00 0.11 -0.80 -3.31 120.40 114.16 1jda s VAL 217 Ca -0.08 0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.06 1jda s VAL 217 Cb -0.04 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 1jda s VAL 217 CO -0.04 0.01 -0.17 -0.83 -3.33 0.00 0.00 175.10 170.74 1jda s GLY 218 N 0.30 1.63 -0.38 6.54 0.00 -0.64 -0.23 107.32 114.53 1jda s GLY 218 Ca -0.01 -1.23 -0.07 0.00 0.00 0.00 0.00 44.72 43.41 1jda s GLY 218 CO -0.01 -1.15 0.19 1.62 0.00 0.00 0.00 173.10 173.74 1jda s GLN 219 N -1.69 2.51 -0.40 2.90 0.74 -0.95 -1.78 119.66 120.99 1jda s GLN 219 Ca 0.16 -1.41 -0.05 0.00 0.05 0.00 0.00 55.36 54.11 1jda s GLN 219 Cb -0.11 -3.62 0.09 0.00 1.10 0.00 0.00 33.01 30.48 1jda s GLN 219 CO 0.07 -0.86 0.19 -1.17 -0.55 0.00 0.00 175.29 172.98 1jda s LEU 220 N 1.37 5.01 -0.58 3.68 2.96 -1.26 -3.33 118.68 126.52 1jda s LEU 220 Ca 0.02 -1.73 -0.00 0.00 -0.22 0.00 0.00 54.13 52.19 1jda s LEU 220 Cb -0.22 -1.87 0.15 0.00 0.50 0.00 0.00 46.19 44.76 1jda s LEU 220 CO 0.01 -0.50 0.37 0.86 -1.32 0.00 0.00 176.35 175.77 1jda s TRP 221 N 1.26 3.32 -0.28 5.38 -0.11 -1.26 -4.79 118.94 122.46 1jda s TRP 221 Ca 0.04 -2.91 -0.03 0.00 1.22 0.00 0.00 56.10 54.43 1jda s TRP 221 Cb -0.22 -3.05 0.16 0.00 -1.50 0.00 0.00 33.47 28.86 1jda s TRP 221 CO -0.02 -0.80 0.54 0.21 -4.62 0.00 0.00 176.95 172.26 1jda s LYS 222 N -0.16 0.50 0.70 5.86 2.20 -1.26 -5.03 119.74 122.55 1jda s LYS 222 Ca 0.17 0.93 -0.11 0.00 -0.36 0.00 0.00 55.97 56.60 1jda s LYS 222 Cb -0.22 0.30 0.02 0.00 -1.51 0.00 0.00 37.83 36.42 1jda s LYS 222 CO -0.02 -0.56 1.08 0.20 -0.36 0.00 0.00 175.35 175.69 1jda s GLY 223 N 2.77 1.62 0.23 5.54 0.00 -1.26 -4.97 107.32 111.26 1jda s GLY 223 Ca 0.15 -0.40 -0.06 0.00 0.00 0.00 0.00 44.72 44.41 1jda s GLY 223 CO -0.19 -0.03 1.77 -2.55 0.00 0.00 0.00 173.10 172.10 1jda h PRO 224 N -0.63 0.56 0.00 2.90 0.11 -1.87 -1.50 132.00 131.57 1jda h PRO 224 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1jda h PRO 224 Cb 1.26 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1jda h PRO 224 CO 0.64 0.37 0.00 -1.13 -0.21 0.00 0.00 178.00 177.66 1jda n SER 225 N -4.89 0.00 -0.62 -2.05 3.41 -1.26 -2.43 113.62 105.77 1jda n SER 225 Ca 0.13 -0.07 0.11 0.00 -0.26 0.00 0.00 58.87 58.78 1jda n SER 225 Cb 0.32 -0.06 0.03 0.00 -0.26 0.00 0.00 64.21 64.24 1jda n SER 225 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jda n GLU 226 N -1.06 1.56 -3.53 4.33 1.02 -0.56 -4.92 120.64 117.47 1jda n GLU 226 Ca 0.03 -1.26 -0.30 0.00 -0.02 0.00 0.00 57.16 55.62 1jda n GLU 226 Cb 0.02 -1.45 -0.04 0.00 -0.02 0.00 0.00 31.44 29.95 1jda n GLU 226 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1jda s TYR 227 N -2.27 3.47 0.82 -0.32 2.02 -1.02 -5.06 117.35 115.00 1jda s TYR 227 Ca 0.21 0.60 -0.13 0.00 -0.37 0.00 0.00 57.07 57.38 1jda s TYR 227 Cb 0.18 -2.06 0.09 0.00 -0.40 0.00 0.00 41.96 39.77 1jda s TYR 227 CO 0.47 0.32 1.17 -2.30 -1.57 0.00 0.00 175.55 173.64 1jda n PRO 228 N -0.36 0.09 0.27 -1.71 -0.02 -1.26 -4.79 135.00 127.22 1jda n PRO 228 Ca -0.02 0.11 0.10 0.00 -2.02 0.00 0.00 63.50 61.67 1jda n PRO 228 Cb 0.53 -2.41 0.74 0.00 -0.02 0.00 0.00 33.50 32.34 1jda n PRO 228 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1jda h ASN 229 N -1.04 0.00 0.84 2.55 4.21 -1.97 -1.82 115.58 118.36 1jda h ASN 229 Ca -0.46 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.05 1jda h ASN 229 Cb 1.30 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.50 1jda h ASN 229 CO 0.45 0.00 -0.46 -2.67 -1.29 0.00 0.00 177.43 173.46 1jda n TRP 230 N -4.30 0.39 -2.53 1.19 4.27 -1.26 -4.87 117.44 110.33 1jda n TRP 230 Ca -0.03 0.11 -0.41 0.00 -3.89 0.00 0.00 57.50 53.29 1jda n TRP 230 Cb 0.09 -0.56 -0.04 0.00 -1.36 0.00 0.00 31.31 29.43 1jda n TRP 230 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1jda s ASP 231 N -3.80 7.32 0.57 -0.67 -1.08 -0.68 -4.93 116.67 113.39 1jda s ASP 231 Ca 0.09 2.14 0.26 0.00 -0.52 0.00 0.00 52.55 54.52 1jda s ASP 231 Cb 0.15 -2.61 1.63 0.00 -1.46 0.00 0.00 42.92 40.62 1jda s ASP 231 CO 0.68 -0.14 2.19 4.11 0.52 0.00 0.00 175.17 182.53 1jda h TRP 232 N 4.46 0.00 0.00 -5.34 5.08 -1.89 -1.24 115.95 117.02 1jda h TRP 232 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.52 1jda h TRP 232 Cb 1.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 1jda h TRP 232 CO 0.61 0.00 0.00 0.54 -1.28 0.00 0.00 178.44 178.31 1jda n ARG 233 N -4.05 0.15 0.08 0.12 1.74 -1.26 -2.96 116.66 110.48 1jda n ARG 233 Ca -0.02 0.02 0.12 0.00 -0.77 0.00 0.00 57.85 57.20 1jda n ARG 233 Cb 0.16 -1.50 0.46 0.00 -1.02 0.00 0.00 32.46 30.55 1jda n ARG 233 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1jda n ASN 234 N -1.42 0.52 0.00 0.55 2.85 -0.47 -3.37 115.26 113.92 1jda n ASN 234 Ca 0.09 0.58 0.00 0.00 -0.11 0.00 0.00 54.58 55.14 1jda n ASN 234 Cb 0.29 -0.71 0.00 0.00 1.24 0.00 0.00 39.78 40.60 1jda n ASN 234 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1jda n THR 235 N -2.02 0.41 -2.23 -0.44 -2.24 -1.16 -4.46 114.28 102.16 1jda n THR 235 Ca 0.04 -0.47 -0.26 0.00 -2.27 0.00 0.00 64.05 61.10 1jda n THR 235 Cb 0.32 0.89 0.10 0.00 -2.10 0.00 0.00 70.33 69.53 1jda n THR 235 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jda s ALA 236 N -0.41 3.09 0.53 6.98 0.00 -1.17 -5.09 121.76 125.69 1jda s ALA 236 Ca 0.00 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 50.75 1jda s ALA 236 Cb 0.00 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 1jda s ALA 236 CO 0.00 -1.54 0.88 -1.54 0.00 0.00 0.00 175.76 173.56 1jda s SER 237 N -4.63 6.29 0.26 0.00 1.04 -1.26 -4.78 113.70 110.62 1jda s SER 237 Ca 0.64 1.15 -0.05 0.00 0.48 0.00 0.00 55.95 58.17 1jda s SER 237 Cb -0.08 -2.34 0.30 0.00 0.10 0.00 0.00 66.02 63.99 1jda s SER 237 CO 0.46 -0.67 1.94 -0.50 0.98 0.00 0.00 173.24 175.45 1jda h TRP 238 N 0.15 1.22 -0.52 5.02 4.06 -1.96 -2.50 115.95 121.42 1jda h TRP 238 Ca -0.46 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 60.47 1jda h TRP 238 Cb 1.20 -0.41 -0.02 0.00 -1.00 0.00 0.00 29.16 28.92 1jda h TRP 238 CO 0.62 0.77 0.12 1.96 -3.56 0.00 0.00 178.44 178.34 1jda h GLN 239 N 1.32 0.80 -0.16 0.49 4.20 -1.95 -2.76 115.11 117.05 1jda h GLN 239 Ca 0.36 -0.16 -0.15 0.00 0.06 0.00 0.00 58.65 58.75 1jda h GLN 239 Cb -0.14 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.52 1jda h GLN 239 CO -0.08 0.73 -0.50 1.96 -0.67 0.00 0.00 178.83 180.26 1jda h GLN 240 N 0.77 0.62 -0.38 1.46 4.20 -1.85 -1.98 115.11 117.96 1jda h GLN 240 Ca 0.17 -0.46 0.04 0.00 0.06 0.00 0.00 58.65 58.47 1jda h GLN 240 Cb 0.29 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 1jda h GLN 240 CO -0.00 1.08 0.14 0.82 -0.67 0.00 0.00 178.83 180.20 1jda h ILE 241 N 0.29 0.90 -0.45 2.54 2.04 -1.44 -1.66 117.51 119.73 1jda h ILE 241 Ca -0.02 -0.10 -0.11 0.00 1.00 0.00 0.00 64.86 65.63 1jda h ILE 241 Cb 1.12 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1jda h ILE 241 CO 0.11 0.06 -0.15 0.40 0.00 0.00 0.00 178.15 178.56 1jda h ILE 242 N 0.30 1.27 -0.09 -0.67 5.03 -1.50 -2.92 117.51 118.93 1jda h ILE 242 Ca 0.17 -1.29 -0.22 0.00 -0.12 0.00 0.00 64.86 63.40 1jda h ILE 242 Cb 0.14 1.16 0.01 0.00 -3.03 0.00 0.00 36.82 35.10 1jda h ILE 242 CO -0.17 0.44 -0.83 0.50 -0.68 0.00 0.00 178.15 177.41 1jda h LYS 243 N 0.74 0.65 -0.47 2.37 1.63 -1.34 -2.73 116.57 117.43 1jda h LYS 243 Ca 0.11 -0.58 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1jda h LYS 243 Cb 0.71 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.45 1jda h LYS 243 CO 0.05 1.19 0.31 0.22 -3.45 0.00 0.00 179.45 177.77 1jda h ASP 244 N 0.43 0.54 -0.61 4.20 3.58 -1.22 0.19 116.42 123.52 1jda h ASP 244 Ca -0.06 -0.02 0.06 0.00 0.42 0.00 0.00 57.03 57.43 1jda h ASP 244 Cb 1.46 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 42.32 1jda h ASP 244 CO 0.16 0.39 0.32 -0.25 -2.88 0.00 0.00 179.24 176.98 1jda h TRP 245 N 0.64 0.58 -0.51 0.28 7.01 -1.49 -2.47 115.95 119.98 1jda h TRP 245 Ca 0.17 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.12 1jda h TRP 245 Cb -0.07 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 26.80 1jda h TRP 245 CO -0.04 0.27 0.03 1.03 -2.79 0.00 0.00 178.44 176.93 1jda h SER 246 N 0.59 0.86 -0.87 2.65 0.87 -1.08 -1.12 113.55 115.46 1jda h SER 246 Ca 0.28 -0.29 0.10 0.00 -1.23 0.00 0.00 61.79 60.64 1jda h SER 246 Cb 0.20 -0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 61.85 1jda h SER 246 CO -0.19 0.94 0.51 0.44 -0.53 0.00 0.00 176.83 178.01 1jda h ASP 247 N 0.76 0.74 0.59 6.23 3.32 -0.22 -1.65 116.42 126.19 1jda h ASP 247 Ca 0.15 0.04 -0.28 0.00 0.02 0.00 0.00 57.03 56.96 1jda h ASP 247 Cb 0.49 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1jda h ASP 247 CO 0.02 0.42 -1.44 0.03 -1.72 0.00 0.00 179.24 176.56 1jda h ARG 248 N 0.85 0.14 0.00 3.56 3.08 -1.18 -3.36 114.38 117.48 1jda h ARG 248 Ca 0.42 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1jda h ARG 248 Cb 0.37 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1jda h ARG 248 CO -0.24 0.97 -0.50 0.00 -1.07 0.00 0.00 179.97 179.12 1jda n ALA 249 N -2.57 2.99 -3.87 0.04 0.00 -0.45 -4.07 120.51 112.57 1jda n ALA 249 Ca -0.13 -0.25 -0.27 0.00 0.00 0.00 0.00 53.44 52.80 1jda n ALA 249 Cb 1.02 -1.20 0.02 0.00 0.00 0.00 0.00 19.45 19.29 1jda n ALA 249 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jda n LYS 250 N -1.92 -5.00 -4.05 0.00 4.76 -0.63 -3.16 118.16 108.16 1jda n LYS 250 Ca 0.04 0.57 -0.13 0.00 -2.87 0.00 0.00 58.31 55.93 1jda n LYS 250 Cb 0.41 -5.28 -0.12 0.00 -1.84 0.00 0.00 35.03 28.19 1jda n LYS 250 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jda n PRO 252 N 2.09 -1.11 -4.02 0.00 -0.02 -1.21 -4.53 135.00 126.20 1jda n PRO 252 Ca -0.19 -0.29 -0.14 0.00 -2.02 0.00 0.00 63.50 60.86 1jda n PRO 252 Cb 0.56 -1.93 -0.14 0.00 -0.02 0.00 0.00 33.50 31.97 1jda n PRO 252 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1jda s VAL 253 N -2.38 0.22 0.19 -1.45 0.11 -0.20 -1.63 120.40 115.26 1jda s VAL 253 Ca 0.60 -0.12 -0.33 0.00 -2.93 0.00 0.00 61.98 59.20 1jda s VAL 253 Cb -0.19 -0.19 -0.13 0.00 -1.53 0.00 0.00 36.38 34.33 1jda s VAL 253 CO 0.65 0.06 1.62 0.49 -3.33 0.00 0.00 175.10 174.59 1jda n PHE 254 N 3.03 2.47 -2.08 1.54 3.72 -0.73 -1.27 117.46 124.13 1jda n PHE 254 Ca -0.13 0.20 -0.35 0.00 -0.05 0.00 0.00 57.45 57.12 1jda n PHE 254 Cb 0.59 -2.59 -0.04 0.00 -0.94 0.00 0.00 39.48 36.50 1jda n PHE 254 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1jda n ASP 255 N 3.45 3.61 0.18 4.37 -0.08 0.20 -4.73 116.55 123.54 1jda n ASP 255 Ca 0.16 -2.77 0.14 0.00 -1.51 0.00 0.00 54.79 50.80 1jda n ASP 255 Cb 0.31 -1.66 0.50 0.00 2.34 0.00 0.00 41.12 42.61 1jda n ASP 255 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1jda h PHE 256 N 8.60 0.00 -0.07 -0.67 -1.00 -1.87 -2.89 116.94 119.05 1jda h PHE 256 Ca 0.34 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.08 1jda h PHE 256 Cb 0.86 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.42 1jda h PHE 256 CO 1.29 0.00 -0.08 0.00 -1.61 0.00 0.00 178.31 177.92 1jda h ALA 257 N 2.22 0.10 -0.40 2.45 0.00 -1.86 -1.30 119.26 120.46 1jda h ALA 257 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1jda h ALA 257 Cb 0.54 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1jda h ALA 257 CO 0.00 -0.08 0.03 1.25 0.00 0.00 0.00 179.25 180.45 1jda h LEU 258 N -0.28 0.59 -0.44 0.00 5.85 -1.80 -1.41 115.31 117.81 1jda h LEU 258 Ca 0.01 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1jda h LEU 258 Cb 0.61 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1jda h LEU 258 CO 0.02 0.65 0.22 0.50 -0.34 0.00 0.00 178.44 179.48 1jda h LYS 259 N 0.60 0.63 -0.73 1.25 1.63 -1.40 0.58 116.57 119.13 1jda h LYS 259 Ca 0.13 -0.09 -0.06 0.00 -0.85 0.00 0.00 60.65 59.78 1jda h LYS 259 Cb 0.34 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 1jda h LYS 259 CO 0.01 0.54 0.22 1.49 -3.45 0.00 0.00 179.45 178.26 1jda h GLU 260 N 0.58 1.13 -0.00 1.90 4.22 -0.94 -0.88 114.58 120.59 1jda h GLU 260 Ca 0.15 -0.24 -0.14 0.00 0.08 0.00 0.00 59.36 59.21 1jda h GLU 260 Cb 0.11 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1jda h GLU 260 CO -0.02 0.97 -0.67 0.00 -2.18 0.00 0.00 179.01 177.10 1jda h ARG 261 N 1.08 0.01 -0.25 1.92 2.47 -0.95 0.58 114.38 119.24 1jda h ARG 261 Ca 0.23 -0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.86 1jda h ARG 261 Cb 0.31 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 1jda h ARG 261 CO -0.01 0.68 -0.15 0.52 0.56 0.00 0.00 179.97 181.57 1jda h MET 262 N 0.01 0.55 -0.26 0.04 2.86 -0.06 0.36 114.93 118.44 1jda h MET 262 Ca -0.01 -0.25 -0.18 0.00 -2.06 0.00 0.00 59.70 57.20 1jda h MET 262 Cb 1.19 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1jda h MET 262 CO 0.09 0.82 -0.55 1.96 1.06 0.00 0.00 176.91 180.29 1jda h GLN 263 N 0.27 0.83 0.00 1.72 1.08 -1.23 -3.41 115.11 114.37 1jda h GLN 263 Ca 0.05 -0.55 -0.18 0.00 -1.45 0.00 0.00 58.65 56.53 1jda h GLN 263 Cb 0.68 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.15 1jda h GLN 263 CO 0.04 1.18 -1.68 0.09 -0.95 0.00 0.00 178.83 177.51 1jda n ASN 264 N -4.04 2.51 -0.02 1.46 5.03 0.19 -5.06 115.26 115.33 1jda n ASN 264 Ca -0.05 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.40 1jda n ASN 264 Cb 0.63 0.79 0.00 0.00 -1.02 0.00 0.00 39.78 40.18 1jda n ASN 264 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jda n GLY 265 N 2.35 1.90 3.98 7.41 0.00 0.12 -5.03 105.19 115.92 1jda n GLY 265 Ca -0.16 -2.03 -0.18 0.00 0.00 0.00 0.00 46.02 43.65 1jda n GLY 265 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jda s SER 266 N -1.00 5.61 0.49 1.61 1.04 -1.26 -4.83 113.70 115.37 1jda s SER 266 Ca 0.00 -0.43 0.17 0.00 0.48 0.00 0.00 55.95 56.17 1jda s SER 266 Cb 0.00 -0.78 1.21 0.00 0.10 0.00 0.00 66.02 66.55 1jda s SER 266 CO 0.00 -0.65 2.07 -0.29 0.98 0.00 0.00 173.24 175.34 1jda h ILE 267 N 0.78 0.93 -0.25 -1.02 2.10 -1.94 0.18 117.51 118.28 1jda h ILE 267 Ca -0.42 -0.05 -0.11 0.00 1.08 0.00 0.00 64.86 65.36 1jda h ILE 267 Cb 1.27 0.77 -0.01 0.00 -1.09 0.00 0.00 36.82 37.76 1jda h ILE 267 CO 0.49 0.03 -0.30 0.00 -1.08 0.00 0.00 178.15 177.29 1jda h ALA 268 N 1.85 1.00 0.00 0.18 0.00 -1.93 -1.76 119.26 118.59 1jda h ALA 268 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1jda h ALA 268 Cb 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jda h ALA 268 CO -0.02 0.59 0.00 -0.25 0.00 0.00 0.00 179.25 179.58 1jda n ASP 269 N -4.09 0.00 0.17 0.00 8.00 0.62 -3.48 116.55 117.77 1jda n ASP 269 Ca -0.01 -0.24 0.12 0.00 0.71 0.00 0.00 54.79 55.37 1jda n ASP 269 Cb 0.45 -0.16 0.61 0.00 -0.02 0.00 0.00 41.12 41.99 1jda n ASP 269 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 1jda h TRP 270 N 0.00 0.00 0.00 1.24 4.06 -1.16 -2.24 115.95 117.85 1jda h TRP 270 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1jda h TRP 270 Cb 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.25 1jda h TRP 270 CO 0.00 0.00 0.00 0.36 -3.56 0.00 0.00 178.44 175.24 1jda n LYS 271 N -2.34 0.60 -0.29 0.49 2.85 -1.23 -3.11 118.16 115.13 1jda n LYS 271 Ca -0.00 0.01 0.12 0.00 -1.05 0.00 0.00 58.31 57.39 1jda n LYS 271 Cb 0.11 -1.50 0.28 0.00 -0.65 0.00 0.00 35.03 33.27 1jda n LYS 271 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1jda n HIS 272 N -1.04 0.77 -2.11 5.58 8.25 -0.84 -4.58 115.22 121.25 1jda n HIS 272 Ca 0.15 -0.38 -0.27 0.00 -0.26 0.00 0.00 57.72 56.95 1jda n HIS 272 Cb 0.08 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.28 1jda n HIS 272 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1jda s GLY 273 N -1.19 1.68 0.27 -1.41 0.00 -1.18 -4.64 107.32 100.85 1jda s GLY 273 Ca 0.44 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 44.22 1jda s GLY 273 CO 0.32 -0.45 1.88 -2.00 0.00 0.00 0.00 173.10 172.85 1jda h LEU 274 N -0.84 1.01 0.00 0.66 5.85 -1.90 -2.75 115.31 117.33 1jda h LEU 274 Ca -0.44 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1jda h LEU 274 Cb 1.31 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1jda h LEU 274 CO 0.58 0.63 0.00 -0.46 -0.34 0.00 0.00 178.44 178.85 1jda n ASN 275 N -4.52 0.00 -0.14 1.25 6.94 -1.26 -1.76 115.26 115.77 1jda n ASN 275 Ca 0.16 -0.13 0.10 0.00 -0.02 0.00 0.00 54.58 54.69 1jda n ASN 275 Cb 0.22 -0.21 -0.07 0.00 -2.36 0.00 0.00 39.78 37.35 1jda n ASN 275 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jda n GLY 276 N 0.21 -0.71 3.68 4.83 0.00 -1.04 -4.36 105.19 107.80 1jda n GLY 276 Ca 0.10 -0.60 -0.48 0.00 0.00 0.00 0.00 46.02 45.03 1jda n GLY 276 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jda n ASN 277 N -1.08 3.46 0.09 1.61 5.15 -0.72 -4.85 115.26 118.91 1jda n ASN 277 Ca 0.06 0.97 0.06 0.00 -0.60 0.00 0.00 54.58 55.07 1jda n ASN 277 Cb 0.37 -1.38 0.30 0.00 -0.53 0.00 0.00 39.78 38.54 1jda n ASN 277 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1jda n PRO 278 N 6.58 0.07 -3.50 1.20 -0.04 -1.26 -4.40 135.00 133.65 1jda n PRO 278 Ca 0.22 0.56 -0.37 0.00 -0.04 0.00 0.00 63.50 63.87 1jda n PRO 278 Cb 0.30 -1.77 -0.08 0.00 -0.04 0.00 0.00 33.50 31.91 1jda n PRO 278 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1jda s ASP 279 N -3.49 6.37 0.35 3.54 -1.08 -1.26 -4.97 116.67 116.13 1jda s ASP 279 Ca -0.01 0.42 0.02 0.00 -0.52 0.00 0.00 52.55 52.47 1jda s ASP 279 Cb 0.03 -2.19 0.63 0.00 -1.46 0.00 0.00 42.92 39.93 1jda s ASP 279 CO 0.10 0.02 1.98 1.55 0.52 0.00 0.00 175.17 179.34 1jda h PRO 280 N 7.15 0.77 0.00 4.34 0.13 -1.92 -2.42 132.00 140.05 1jda h PRO 280 Ca -0.38 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 1jda h PRO 280 Cb 1.16 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1jda h PRO 280 CO 0.72 0.56 -0.17 0.00 -0.23 0.00 0.00 178.00 178.88 1jda h ARG 281 N 0.78 0.00 0.00 0.86 2.47 -1.93 -1.77 114.38 114.80 1jda h ARG 281 Ca 0.20 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.90 1jda h ARG 281 Cb -0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1jda h ARG 281 CO -0.04 0.17 -0.35 -1.49 0.56 0.00 0.00 179.97 178.82 1jda h TRP 282 N 0.00 0.00 -0.70 3.04 4.06 -1.81 -3.40 115.95 117.15 1jda h TRP 282 Ca -0.00 0.00 0.08 0.00 2.06 0.00 0.00 58.89 61.03 1jda h TRP 282 Cb 0.47 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.56 1jda h TRP 282 CO 0.00 0.25 0.35 -0.09 -3.56 0.00 0.00 178.44 175.39 1jda h ARG 283 N -1.00 0.60 0.00 0.49 2.43 -1.41 -3.10 114.38 112.39 1jda h ARG 283 Ca -0.04 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1jda h ARG 283 Cb 0.44 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1jda h ARG 283 CO -0.02 0.39 0.00 1.05 -1.51 0.00 0.00 179.97 179.88 1jda h GLU 284 N 0.61 0.00 -0.07 0.20 4.11 -1.34 -2.80 114.58 115.29 1jda h GLU 284 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.77 1jda h GLU 284 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1jda h GLU 284 CO -0.25 0.00 0.00 1.33 0.07 0.00 0.00 179.01 180.16 1jda n VAL 285 N -2.88 0.06 -2.74 -1.06 0.24 -1.17 -4.76 118.33 106.03 1jda n VAL 285 Ca 0.00 -0.40 -0.40 0.00 -2.04 0.00 0.00 64.34 61.51 1jda n VAL 285 Cb 0.24 0.92 -0.06 0.00 -1.47 0.00 0.00 33.84 33.47 1jda n VAL 285 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jda s ALA 286 N -1.94 3.33 -0.38 2.33 0.00 -1.06 -1.03 121.76 123.01 1jda s ALA 286 Ca 0.34 0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.95 1jda s ALA 286 Cb 0.20 -3.21 0.11 0.00 0.00 0.00 0.00 23.12 20.22 1jda s ALA 286 CO 0.31 0.19 0.11 0.08 0.00 0.00 0.00 175.76 176.45 1jda s VAL 287 N -1.23 2.05 0.20 0.00 1.01 -0.39 -1.11 120.40 120.92 1jda s VAL 287 Ca 0.42 -2.40 -0.27 0.00 0.00 0.00 0.00 61.98 59.73 1jda s VAL 287 Cb -0.25 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 33.55 1jda s VAL 287 CO 0.31 -0.67 0.84 0.42 0.00 0.00 0.00 175.10 176.00 1jda s THR 288 N 0.74 4.26 0.23 3.92 -4.23 -0.99 -0.63 115.64 118.95 1jda s THR 288 Ca 0.12 1.83 -0.07 0.00 -1.18 0.00 0.00 61.69 62.40 1jda s THR 288 Cb -0.21 -4.20 -0.02 0.00 1.34 0.00 0.00 72.50 69.42 1jda s THR 288 CO -0.09 0.50 0.33 0.72 -0.54 0.00 0.00 174.62 175.54 1jda s PHE 289 N -1.18 0.76 -0.17 3.99 -0.71 -1.26 -0.41 117.98 118.99 1jda s PHE 289 Ca 0.38 -1.05 -0.01 0.00 -1.04 0.00 0.00 56.93 55.21 1jda s PHE 289 Cb -0.24 -0.15 -0.10 0.00 -1.21 0.00 0.00 43.02 41.32 1jda s PHE 289 CO 0.28 -0.85 -0.17 1.33 -1.34 0.00 0.00 175.22 174.46 1jda n VAL 290 N -0.35 0.99 -3.50 -2.49 0.24 -1.26 -4.85 118.33 107.10 1jda n VAL 290 Ca 0.00 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.34 61.82 1jda n VAL 290 Cb 0.64 -1.26 -0.04 0.00 -1.47 0.00 0.00 33.84 31.71 1jda n VAL 290 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1jda s ASP 291 N -5.89 -0.53 0.12 -1.34 1.01 -1.26 -4.70 116.67 104.08 1jda s ASP 291 Ca -0.24 0.20 0.01 0.00 0.71 0.00 0.00 52.55 53.23 1jda s ASP 291 Cb 0.07 0.55 -0.00 0.00 1.01 0.00 0.00 42.92 44.54 1jda s ASP 291 CO 0.38 -0.81 0.03 -0.46 0.21 0.00 0.00 175.17 174.52 1jda n ASN 292 N 0.15 1.30 0.22 0.27 2.04 -1.26 -4.42 115.26 113.56 1jda n ASN 292 Ca -0.18 -1.63 0.05 0.00 -0.44 0.00 0.00 54.58 52.38 1jda n ASN 292 Cb 0.62 0.26 0.48 0.00 -2.53 0.00 0.00 39.78 38.61 1jda n ASN 292 CO 0.00 0.00 0.00 1.12 -0.44 0.00 0.00 177.26 177.94 1jda h HIS 293 N 1.17 0.00 0.00 -2.53 2.07 -1.89 0.22 115.15 114.19 1jda h HIS 293 Ca -0.10 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.38 1jda h HIS 293 Cb 0.36 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.33 1jda h HIS 293 CO 0.00 0.22 -0.47 -0.44 -3.07 0.00 0.00 177.93 174.17 1jda h ASP 294 N 0.00 0.00 0.01 3.10 3.32 -1.97 -3.38 116.42 117.50 1jda h ASP 294 Ca -0.00 -0.20 -0.16 0.00 0.02 0.00 0.00 57.03 56.69 1jda h ASP 294 Cb 0.39 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1jda h ASP 294 CO 0.03 0.85 -0.53 0.71 -1.72 0.00 0.00 179.24 178.58 1jda h THR 295 N -1.00 1.32 -3.41 0.35 1.35 -1.88 0.22 112.91 109.86 1jda h THR 295 Ca -0.07 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 1jda h THR 295 Cb 0.58 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1jda h THR 295 CO -0.04 0.55 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 1jda n GLY 296 N 0.23 1.53 3.97 5.82 0.00 0.77 -1.06 105.19 116.45 1jda n GLY 296 Ca -0.03 -2.04 -0.21 0.00 0.00 0.00 0.00 46.02 43.73 1jda n GLY 296 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jda s TYR 297 N 1.04 3.01 -0.00 1.61 1.51 -1.26 0.10 117.35 123.36 1jda s TYR 297 Ca 0.00 0.04 -0.04 0.00 -1.01 0.00 0.00 57.07 56.06 1jda s TYR 297 Cb 0.00 -2.52 -0.00 0.00 -0.11 0.00 0.00 41.96 39.33 1jda s TYR 297 CO 0.00 -0.60 0.08 -1.12 -1.11 0.00 0.00 175.55 172.80 1jda s SER 298 N -4.33 0.05 1.01 2.29 0.01 -0.32 -4.88 113.70 107.54 1jda s SER 298 Ca 0.53 -0.18 -0.11 0.00 1.31 0.00 0.00 55.95 57.50 1jda s SER 298 Cb -0.10 0.17 0.20 0.00 0.21 0.00 0.00 66.02 66.50 1jda s SER 298 CO 0.37 -0.26 1.09 -2.84 0.41 0.00 0.00 173.24 172.02 1jda s PRO 299 N -1.01 0.31 1.38 12.44 0.02 -1.26 -3.65 135.00 143.22 1jda s PRO 299 Ca -0.11 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.06 1jda s PRO 299 Cb -0.06 -1.67 0.00 0.00 0.02 0.00 0.00 34.50 32.78 1jda s PRO 299 CO 0.00 -2.99 0.00 0.41 -0.33 0.00 0.00 177.00 174.10 1jda n GLY 300 N 0.20 0.85 3.54 0.52 0.00 -1.26 -4.58 105.19 104.46 1jda n GLY 300 Ca 0.07 -1.32 -0.26 0.00 0.00 0.00 0.00 46.02 44.51 1jda n GLY 300 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1jda n GLN 301 N 3.27 0.62 -1.40 1.61 -0.06 -1.26 -3.77 117.38 116.39 1jda n GLN 301 Ca 0.00 -0.32 -0.14 0.00 -2.00 0.00 0.00 57.00 54.54 1jda n GLN 301 Cb 0.00 -3.04 -0.06 0.00 -4.06 0.00 0.00 30.24 23.08 1jda n GLN 301 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1jda n ASN 302 N 15.20 -4.98 0.00 1.69 5.03 -1.26 -2.01 115.26 128.93 1jda n ASN 302 Ca 0.48 0.34 0.00 0.00 0.87 0.00 0.00 54.58 56.27 1jda n ASN 302 Cb 0.40 -3.70 0.00 0.00 -1.02 0.00 0.00 39.78 35.46 1jda n ASN 302 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jda n GLY 303 N -0.86 0.46 6.59 7.41 0.00 -1.25 -4.84 105.19 112.71 1jda n GLY 303 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1jda n GLY 303 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jda n GLY 304 N -2.29 0.37 0.14 -0.02 0.00 -0.85 -1.17 105.19 101.36 1jda n GLY 304 Ca 0.00 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 1jda n GLY 304 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jda n GLN 305 N 11.30 0.73 -3.26 1.61 6.02 -1.25 -4.94 117.38 127.60 1jda n GLN 305 Ca 0.00 0.30 -0.13 0.00 -0.01 0.00 0.00 57.00 57.16 1jda n GLN 305 Cb 0.00 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 29.55 1jda n GLN 305 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1jda n HIS 306 N -3.60 -0.77 0.10 1.08 1.44 0.29 -4.86 115.22 108.89 1jda n HIS 306 Ca -0.32 0.26 -0.01 0.00 -2.01 0.00 0.00 57.72 55.64 1jda n HIS 306 Cb 1.00 -1.14 -0.04 0.00 0.12 0.00 0.00 29.99 29.93 1jda n HIS 306 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1jda h HIS 307 N 0.52 0.00 -0.15 -1.40 3.86 0.20 -3.40 115.15 114.77 1jda h HIS 307 Ca -0.28 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.67 1jda h HIS 307 Cb 0.59 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 28.89 1jda h HIS 307 CO 0.11 0.68 -0.49 1.87 0.86 0.00 0.00 177.93 180.96 1jda n TRP 308 N -3.23 -2.62 -2.77 2.45 -0.00 -0.22 -4.97 117.44 106.09 1jda n TRP 308 Ca -0.00 -2.25 -0.40 0.00 -0.00 0.00 0.00 57.50 54.85 1jda n TRP 308 Cb 0.82 1.48 -0.05 0.00 -0.00 0.00 0.00 31.31 33.55 1jda n TRP 308 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1jda s ALA 309 N 0.05 3.32 -0.00 5.87 0.00 -0.32 -4.64 121.76 126.04 1jda s ALA 309 Ca 0.23 0.57 -0.27 0.00 0.00 0.00 0.00 51.96 52.49 1jda s ALA 309 Cb 0.30 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1jda s ALA 309 CO -0.05 0.13 0.86 -1.17 0.00 0.00 0.00 175.76 175.52 1jda s LEU 310 N -0.73 4.38 0.35 0.00 2.96 -1.26 -5.01 118.68 119.37 1jda s LEU 310 Ca 0.42 1.50 -0.28 0.00 -0.22 0.00 0.00 54.13 55.55 1jda s LEU 310 Cb -0.25 -3.37 -0.12 0.00 0.50 0.00 0.00 46.19 42.96 1jda s LEU 310 CO 0.30 -0.15 1.34 0.00 -1.32 0.00 0.00 176.35 176.53 1jda n GLN 311 N 3.56 2.26 0.21 1.98 10.64 -1.26 -4.89 117.38 129.87 1jda n GLN 311 Ca 0.02 0.79 0.18 0.00 -1.83 0.00 0.00 57.00 56.16 1jda n GLN 311 Cb 0.51 -2.41 0.84 0.00 -0.86 0.00 0.00 30.24 28.31 1jda n GLN 311 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 1jda h ASP 312 N 2.69 0.00 0.54 2.61 2.03 -2.02 0.54 116.42 122.81 1jda h ASP 312 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1jda h ASP 312 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 1jda h ASP 312 CO 0.63 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.45 1jda n GLY 313 N -1.38 -1.05 0.06 7.15 0.00 -1.26 -3.28 105.19 105.44 1jda n GLY 313 Ca 0.02 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 45.98 1jda n GLY 313 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jda n LEU 314 N -1.46 1.57 0.14 0.99 4.77 0.18 -4.76 117.00 118.43 1jda n LEU 314 Ca 0.05 -1.46 -0.14 0.00 -0.03 0.00 0.00 56.01 54.43 1jda n LEU 314 Cb 0.19 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 1jda n LEU 314 CO 0.15 0.38 0.79 0.40 -1.33 0.00 0.00 177.39 177.79 1jda h ILE 315 N 0.24 0.77 -0.72 -0.08 2.04 -1.54 -0.33 117.51 117.89 1jda h ILE 315 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1jda h ILE 315 Cb 0.27 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 1jda h ILE 315 CO 0.00 0.00 0.44 0.03 0.00 0.00 0.00 178.15 178.62 1jda h ARG 316 N -0.30 0.81 -0.53 2.37 3.08 -1.86 -1.94 114.38 116.02 1jda h ARG 316 Ca -0.02 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 1jda h ARG 316 Cb 0.24 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1jda h ARG 316 CO 0.04 0.54 -0.02 1.96 -1.07 0.00 0.00 179.97 181.42 1jda h GLN 317 N 0.84 0.94 -0.04 0.04 7.50 -1.85 -1.24 115.11 121.29 1jda h GLN 317 Ca 0.30 -0.31 -0.00 0.00 0.50 0.00 0.00 58.65 59.14 1jda h GLN 317 Cb 0.08 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 27.53 1jda h GLN 317 CO -0.14 0.96 0.02 0.00 -1.50 0.00 0.00 178.83 178.18 1jda h ALA 318 N 0.94 0.05 -0.53 3.87 0.00 -0.71 -1.75 119.26 121.14 1jda h ALA 318 Ca 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1jda h ALA 318 Cb 0.55 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1jda h ALA 318 CO 0.03 -0.41 0.12 1.88 0.00 0.00 0.00 179.25 180.87 1jda h TYR 319 N -0.01 0.90 0.00 0.00 0.05 -1.39 -1.51 116.97 115.02 1jda h TYR 319 Ca 0.01 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.68 1jda h TYR 319 Cb 0.07 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 37.55 1jda h TYR 319 CO -0.05 0.80 -0.01 0.00 -1.05 0.00 0.00 178.16 177.84 1jda h ALA 320 N 1.00 1.92 0.13 3.88 0.00 -0.83 -1.10 119.26 124.27 1jda h ALA 320 Ca 0.17 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.71 1jda h ALA 320 Cb 0.35 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1jda h ALA 320 CO 0.00 0.02 -1.87 -0.92 0.00 0.00 0.00 179.25 176.48 1jda h TYR 321 N 0.00 0.50 0.00 0.00 3.20 -1.16 -3.07 116.97 116.44 1jda h TYR 321 Ca -0.00 -0.37 -0.15 0.00 3.14 0.00 0.00 58.73 61.36 1jda h TYR 321 Cb 0.03 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1jda h TYR 321 CO 0.00 1.66 -0.69 -0.84 -1.64 0.00 0.00 178.16 176.65 1jda h ILE 322 N 0.08 1.34 0.00 1.81 3.07 -1.13 -2.58 117.51 120.10 1jda h ILE 322 Ca -0.38 -2.50 -0.09 0.00 1.55 0.00 0.00 64.86 63.44 1jda h ILE 322 Cb 2.05 2.41 -0.01 0.00 -0.27 0.00 0.00 36.82 41.00 1jda h ILE 322 CO 0.12 0.68 -0.43 -0.07 -1.05 0.00 0.00 178.15 177.40 1jda h LEU 323 N 0.00 0.00 -0.80 0.16 4.07 -1.34 -3.24 115.31 114.16 1jda h LEU 323 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1jda h LEU 323 Cb 1.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.10 1jda h LEU 323 CO 0.09 0.43 -0.52 0.35 -1.08 0.00 0.00 178.44 177.71 1jda n THR 324 N -3.45 0.00 -3.92 0.22 -2.24 -1.16 -4.48 114.28 99.26 1jda n THR 324 Ca 0.00 -0.24 -0.24 0.00 -2.27 0.00 0.00 64.05 61.30 1jda n THR 324 Cb 0.58 1.20 -0.05 0.00 -2.10 0.00 0.00 70.33 69.96 1jda n THR 324 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1jda s SER 325 N -2.40 4.65 1.48 3.42 1.04 -0.97 -4.92 113.70 116.01 1jda s SER 325 Ca 0.15 -1.02 -0.25 0.00 0.48 0.00 0.00 55.95 55.32 1jda s SER 325 Cb 0.16 -0.31 0.38 0.00 0.10 0.00 0.00 66.02 66.35 1jda s SER 325 CO 0.57 -0.69 0.90 -2.65 0.98 0.00 0.00 173.24 172.34 1jda n PRO 326 N -1.44 -4.82 0.00 4.02 -0.02 -1.26 -4.83 135.00 126.65 1jda n PRO 326 Ca -0.00 -1.50 0.00 0.00 -2.02 0.00 0.00 63.50 59.98 1jda n PRO 326 Cb 0.64 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1jda n PRO 326 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jda n GLY 327 N -5.79 -2.33 3.12 -1.23 0.00 0.22 -4.83 105.19 94.35 1jda n GLY 327 Ca 0.14 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 1jda n GLY 327 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jda s THR 328 N -0.89 2.33 0.34 2.61 2.01 -0.26 -3.78 115.64 118.01 1jda s THR 328 Ca 0.00 -1.29 -0.25 0.00 0.31 0.00 0.00 61.69 60.46 1jda s THR 328 Cb 0.00 -2.22 -0.10 0.00 0.01 0.00 0.00 72.50 70.19 1jda s THR 328 CO 0.00 0.18 0.95 -2.16 -0.69 0.00 0.00 174.62 172.90 1jda s PRO 329 N 1.21 4.51 -0.08 4.92 0.04 -1.26 -2.36 135.00 141.98 1jda s PRO 329 Ca -0.03 1.30 0.03 0.00 0.04 0.00 0.00 61.00 62.35 1jda s PRO 329 Cb -0.17 -2.68 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 1jda s PRO 329 CO -0.07 0.21 -0.19 0.08 0.04 0.00 0.00 177.00 177.07 1jda s VAL 330 N -1.71 2.61 -0.15 -0.36 1.01 0.45 -2.09 120.40 120.16 1jda s VAL 330 Ca 0.52 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 1jda s VAL 330 Cb -0.17 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1jda s VAL 330 CO 0.22 0.56 0.01 -0.69 0.00 0.00 0.00 175.10 175.20 1jda s VAL 331 N -0.11 4.30 0.09 2.92 1.01 0.14 -4.40 120.40 124.35 1jda s VAL 331 Ca -0.03 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 1jda s VAL 331 Cb -0.14 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1jda s VAL 331 CO 0.04 0.51 1.01 -0.47 0.00 0.00 0.00 175.10 176.19 1jda s TYR 332 N 0.08 3.71 0.16 5.22 5.04 -1.26 -0.02 117.35 130.27 1jda s TYR 332 Ca 0.02 1.70 -0.26 0.00 -2.44 0.00 0.00 57.07 56.09 1jda s TYR 332 Cb -0.13 -3.14 0.01 0.00 0.35 0.00 0.00 41.96 39.05 1jda s TYR 332 CO 0.02 -0.10 1.58 2.35 -1.34 0.00 0.00 175.55 178.05 1jda h TRP 333 N 5.91 -1.18 -0.71 4.97 2.91 -1.76 -1.94 115.95 124.15 1jda h TRP 333 Ca -0.43 0.07 0.01 0.00 1.13 0.00 0.00 58.89 59.67 1jda h TRP 333 Cb 1.21 0.57 -0.04 0.00 -0.51 0.00 0.00 29.16 30.40 1jda h TRP 333 CO 0.65 -0.43 0.47 -0.44 -1.03 0.00 0.00 178.44 177.66 1jda h ASP 334 N -0.32 0.80 -0.43 2.65 3.32 -1.88 0.81 116.42 121.37 1jda h ASP 334 Ca 0.14 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1jda h ASP 334 Cb 0.58 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1jda h ASP 334 CO -0.56 0.57 0.20 0.45 -1.72 0.00 0.00 179.24 178.18 1jda h HIS 335 N 0.94 0.62 0.62 4.55 3.86 -1.78 0.91 115.15 124.88 1jda h HIS 335 Ca 0.26 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.41 1jda h HIS 335 Cb -0.08 -0.19 0.01 0.00 1.06 0.00 0.00 27.41 28.21 1jda h HIS 335 CO -0.00 0.52 -0.30 1.98 0.86 0.00 0.00 177.93 180.99 1jda h MET 336 N 0.55 -0.80 -0.01 2.45 1.85 -0.83 -0.80 114.93 117.33 1jda h MET 336 Ca 0.15 0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.29 1jda h MET 336 Cb 0.14 0.18 0.00 0.00 0.43 0.00 0.00 31.60 32.35 1jda h MET 336 CO -0.02 -0.50 -0.04 0.66 -0.40 0.00 0.00 176.91 176.61 1jda n TYR 337 N -5.34 0.00 -0.03 1.39 4.01 0.27 -3.06 117.16 114.40 1jda n TYR 337 Ca -0.11 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.55 1jda n TYR 337 Cb 0.35 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.35 1jda n TYR 337 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1jda n ASP 338 N 0.23 1.08 -0.14 7.72 8.00 -0.19 -4.82 116.55 128.43 1jda n ASP 338 Ca 0.04 0.17 0.15 0.00 0.71 0.00 0.00 54.79 55.87 1jda n ASP 338 Cb 0.18 -0.40 0.82 0.00 -0.02 0.00 0.00 41.12 41.70 1jda n ASP 338 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1jda n TRP 339 N -3.67 0.00 -1.67 1.24 8.01 0.14 -4.98 117.44 116.51 1jda n TRP 339 Ca -0.14 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.04 1jda n TRP 339 Cb 0.44 -0.01 -0.00 0.00 -2.01 0.00 0.00 31.31 29.73 1jda n TRP 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1jda n GLY 340 N 1.06 0.37 0.35 6.99 0.00 -1.25 -4.94 105.19 107.77 1jda n GLY 340 Ca 0.22 -0.93 0.12 0.00 0.00 0.00 0.00 46.02 45.43 1jda n GLY 340 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jda n TYR 341 N -3.65 0.00 -0.30 1.61 4.01 -0.31 -4.54 117.16 113.98 1jda n TYR 341 Ca -0.01 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.70 1jda n TYR 341 Cb 0.34 -0.08 0.02 0.00 -0.31 0.00 0.00 39.34 39.31 1jda n TYR 341 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1jda h GLY 342 N 4.89 -0.08 1.39 2.72 0.00 -1.56 0.67 103.07 111.10 1jda h GLY 342 Ca 0.00 0.50 -0.05 0.00 0.00 0.00 0.00 47.33 47.78 1jda h GLY 342 CO 0.00 -0.19 0.10 -0.55 0.00 0.00 0.00 176.54 175.90 1jda h ASP 343 N -0.08 0.72 -0.34 0.19 5.19 -1.87 0.85 116.42 121.07 1jda h ASP 343 Ca 0.28 -0.13 -0.08 0.00 -0.62 0.00 0.00 57.03 56.48 1jda h ASP 343 Cb 0.57 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 1jda h ASP 343 CO -0.84 0.72 -0.12 0.15 -3.12 0.00 0.00 179.24 176.03 1jda h PHE 344 N 0.74 0.77 0.00 4.55 3.57 -1.70 -2.46 116.94 122.41 1jda h PHE 344 Ca 0.16 -0.18 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 1jda h PHE 344 Cb 0.30 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1jda h PHE 344 CO 0.02 0.86 -0.43 0.82 -2.23 0.00 0.00 178.31 177.35 1jda h ILE 345 N 0.46 1.22 -0.36 1.41 2.04 -0.49 -2.74 117.51 119.04 1jda h ILE 345 Ca 0.08 -1.50 -0.09 0.00 1.00 0.00 0.00 64.86 64.35 1jda h ILE 345 Cb 0.63 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1jda h ILE 345 CO 0.04 0.42 -0.11 0.03 0.00 0.00 0.00 178.15 178.53 1jda h ARG 346 N 0.00 0.71 -0.39 2.37 3.08 -0.63 -2.27 114.38 117.24 1jda h ARG 346 Ca -0.00 -0.28 0.06 0.00 0.07 0.00 0.00 59.98 59.82 1jda h ARG 346 Cb 0.79 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.76 1jda h ARG 346 CO 0.06 0.88 0.10 1.96 -1.07 0.00 0.00 179.97 181.89 1jda h GLN 347 N 0.50 0.23 -0.42 0.04 4.20 -1.16 -2.65 115.11 115.85 1jda h GLN 347 Ca 0.09 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 1jda h GLN 347 Cb 0.63 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1jda h GLN 347 CO 0.04 0.15 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.23 1jda h LEU 348 N 0.23 0.69 -0.91 1.46 3.38 -1.41 -2.06 115.31 116.69 1jda h LEU 348 Ca 0.19 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1jda h LEU 348 Cb 0.21 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1jda h LEU 348 CO -0.23 0.79 0.08 0.40 0.09 0.00 0.00 178.44 179.57 1jda h ILE 349 N 0.66 1.24 -0.21 1.22 2.04 -1.10 0.14 117.51 121.50 1jda h ILE 349 Ca 0.12 -0.94 -0.05 0.00 1.00 0.00 0.00 64.86 64.99 1jda h ILE 349 Cb 0.49 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1jda h ILE 349 CO 0.03 0.34 -0.08 1.56 0.00 0.00 0.00 178.15 180.00 1jda h GLN 350 N 0.84 0.42 -0.22 2.37 4.20 -1.14 -1.98 115.11 119.59 1jda h GLN 350 Ca 0.17 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jda h GLN 350 Cb 0.39 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1jda h GLN 350 CO 0.01 0.69 0.14 0.28 -0.67 0.00 0.00 178.83 179.28 1jda h VAL 351 N 0.12 1.07 -0.49 -0.54 2.07 -1.23 0.39 116.25 117.64 1jda h VAL 351 Ca 0.05 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.48 1jda h VAL 351 Cb 0.55 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1jda h VAL 351 CO 0.03 0.06 0.23 -0.09 0.02 0.00 0.00 177.57 177.82 1jda h ARG 352 N 0.28 0.44 -0.46 1.57 2.43 -0.60 -0.53 114.38 117.52 1jda h ARG 352 Ca 0.08 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1jda h ARG 352 Cb -0.01 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1jda h ARG 352 CO -0.02 0.29 0.01 0.00 -1.51 0.00 0.00 179.97 178.75 1jda h ARG 353 N 0.46 0.80 -0.17 0.20 3.08 -1.22 -0.85 114.38 116.67 1jda h ARG 353 Ca 0.22 -0.25 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1jda h ARG 353 Cb 0.15 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1jda h ARG 353 CO -0.17 0.85 -0.38 0.00 -1.07 0.00 0.00 179.97 179.20 1jda h ALA 354 N 0.92 1.02 -0.00 0.04 0.00 0.04 -2.53 119.26 118.75 1jda h ALA 354 Ca 0.13 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1jda h ALA 354 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1jda h ALA 354 CO 0.02 0.60 -0.41 0.00 0.00 0.00 0.00 179.25 179.46 1jda n ALA 355 N -2.48 3.34 -3.09 0.00 0.00 -0.23 -4.62 120.51 113.44 1jda n ALA 355 Ca -0.01 -0.31 -0.13 0.00 0.00 0.00 0.00 53.44 52.99 1jda n ALA 355 Cb 0.48 -1.18 0.07 0.00 0.00 0.00 0.00 19.45 18.82 1jda n ALA 355 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jda n GLY 356 N 1.49 -0.17 3.74 0.00 0.00 -0.50 -0.81 105.19 108.95 1jda n GLY 356 Ca 0.06 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1jda n GLY 356 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jda s VAL 357 N -3.27 4.56 0.32 1.61 1.01 -0.44 0.06 120.40 124.24 1jda s VAL 357 Ca 0.00 1.84 0.04 0.00 0.00 0.00 0.00 61.98 63.86 1jda s VAL 357 Cb -0.00 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1jda s VAL 357 CO 0.55 0.37 0.18 0.00 0.00 0.00 0.00 175.10 176.21 1jda s ARG 358 N -0.24 1.65 0.40 2.72 3.03 -1.26 -4.82 118.95 120.44 1jda s ARG 358 Ca 0.42 -1.95 0.24 0.00 2.03 0.00 0.00 55.73 56.46 1jda s ARG 358 Cb -0.22 -0.03 1.32 0.00 -1.03 0.00 0.00 34.95 34.99 1jda s ARG 358 CO 0.27 -0.50 1.63 0.00 -1.13 0.00 0.00 175.30 175.56 1jda h ALA 359 N 2.17 2.42 -0.25 7.88 0.00 -1.17 -1.31 119.26 128.99 1jda h ALA 359 Ca -0.32 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1jda h ALA 359 Cb 1.25 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1jda h ALA 359 CO 0.49 -1.07 0.00 -0.40 0.00 0.00 0.00 179.25 178.26 1jda n ASP 360 N -4.90 2.74 -4.71 0.00 5.75 -1.26 -0.61 116.55 113.56 1jda n ASP 360 Ca 0.36 -1.81 -0.38 0.00 -0.01 0.00 0.00 54.79 52.95 1jda n ASP 360 Cb 1.28 -0.16 0.06 0.00 -1.03 0.00 0.00 41.12 41.27 1jda n ASP 360 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1jda n SER 361 N 0.83 2.02 -4.84 -1.12 7.64 -0.49 -4.92 113.62 112.74 1jda n SER 361 Ca 0.12 0.87 -0.32 0.00 1.01 0.00 0.00 58.87 60.54 1jda n SER 361 Cb 0.43 -1.53 -0.05 0.00 -1.01 0.00 0.00 64.21 62.05 1jda n SER 361 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jda s ALA 362 N -1.38 3.09 -0.15 -0.43 0.00 -1.26 -4.61 121.76 117.03 1jda s ALA 362 Ca 0.79 0.21 -0.09 0.00 0.00 0.00 0.00 51.96 52.87 1jda s ALA 362 Cb -0.40 -3.08 0.05 0.00 0.00 0.00 0.00 23.12 19.69 1jda s ALA 362 CO 0.44 -0.09 0.37 -1.50 0.00 0.00 0.00 175.76 174.97 1jda s ILE 363 N -2.46 -0.02 0.00 0.00 2.07 -1.26 -1.64 121.20 117.89 1jda s ILE 363 Ca 0.59 0.09 0.07 0.00 -1.41 0.00 0.00 60.65 59.99 1jda s ILE 363 Cb -0.10 -0.55 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 1jda s ILE 363 CO 0.26 0.04 -0.22 -0.44 -1.91 0.00 0.00 174.94 172.66 1jda s SER 364 N 1.14 2.61 -0.08 4.50 0.01 -0.84 -4.86 113.70 116.17 1jda s SER 364 Ca -0.08 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1jda s SER 364 Cb -0.08 -0.27 -0.03 0.00 0.21 0.00 0.00 66.02 65.86 1jda s SER 364 CO -0.09 0.24 -0.07 -0.36 0.41 0.00 0.00 173.24 173.37 1jda s PHE 365 N -0.61 2.94 -0.33 2.43 0.08 -1.26 -0.40 117.98 120.83 1jda s PHE 365 Ca 0.09 -0.04 -0.03 0.00 0.12 0.00 0.00 56.93 57.07 1jda s PHE 365 Cb -0.09 -1.74 0.06 0.00 -0.57 0.00 0.00 43.02 40.68 1jda s PHE 365 CO 0.00 0.27 0.06 -1.01 -0.10 0.00 0.00 175.22 174.44 1jda s HIS 366 N -0.63 3.34 0.26 0.36 3.76 -0.09 -5.00 115.29 117.29 1jda s HIS 366 Ca 0.09 -1.92 -0.02 0.00 -0.15 0.00 0.00 55.06 53.07 1jda s HIS 366 Cb -0.12 -2.39 0.56 0.00 1.11 0.00 0.00 32.58 31.74 1jda s HIS 366 CO 0.02 -0.83 1.70 0.77 -0.85 0.00 0.00 174.74 175.55 1jda h SER 367 N 8.05 0.17 -0.10 1.40 0.02 -1.97 -3.35 113.55 117.77 1jda h SER 367 Ca -0.20 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1jda h SER 367 Cb 1.06 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1jda h SER 367 CO 0.58 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.88 1jda n GLY 368 N -1.35 -0.42 3.59 -3.77 0.00 -1.26 -4.91 105.19 97.08 1jda n GLY 368 Ca 0.17 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1jda n GLY 368 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jda s TYR 369 N -1.87 2.12 0.66 1.61 2.02 -1.25 -5.07 117.35 115.57 1jda s TYR 369 Ca 0.21 -0.90 -0.08 0.00 -0.37 0.00 0.00 57.07 55.93 1jda s TYR 369 Cb 0.10 -1.52 0.02 0.00 -0.40 0.00 0.00 41.96 40.17 1jda s TYR 369 CO 0.16 0.17 1.00 -1.54 -1.57 0.00 0.00 175.55 173.77 1jda s SER 370 N -3.67 5.35 0.50 2.29 1.04 -1.26 -4.93 113.70 113.02 1jda s SER 370 Ca 0.28 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.52 1jda s SER 370 Cb 0.07 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.53 1jda s SER 370 CO 0.14 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.67 1jda n GLY 371 N -2.82 -0.60 3.82 7.32 0.00 -1.20 -3.98 105.19 107.73 1jda n GLY 371 Ca 0.06 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 1jda n GLY 371 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jda s LEU 372 N 0.00 4.34 -0.05 0.99 1.98 -0.93 -4.52 118.68 120.49 1jda s LEU 372 Ca 0.00 0.50 -0.01 0.00 -2.89 0.00 0.00 54.13 51.72 1jda s LEU 372 Cb 0.00 -2.20 0.03 0.00 0.66 0.00 0.00 46.19 44.68 1jda s LEU 372 CO 0.00 0.30 0.02 0.54 -1.89 0.00 0.00 176.35 175.32 1jda s VAL 373 N -0.50 0.14 0.07 1.68 0.11 -1.26 -0.13 120.40 120.52 1jda s VAL 373 Ca 0.15 0.23 0.05 0.00 -2.93 0.00 0.00 61.98 59.48 1jda s VAL 373 Cb -0.13 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 1jda s VAL 373 CO 0.04 0.20 -0.14 0.00 -3.33 0.00 0.00 175.10 171.87 1jda s ALA 374 N 1.84 1.15 -0.36 1.54 0.00 -0.22 -0.92 121.76 124.79 1jda s ALA 374 Ca 0.02 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 1jda s ALA 374 Cb -0.12 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 22.95 1jda s ALA 374 CO -0.04 0.16 0.16 0.99 0.00 0.00 0.00 175.76 177.03 1jda s THR 375 N -1.26 3.94 -0.23 0.00 2.01 0.47 -0.55 115.64 120.01 1jda s THR 375 Ca -0.02 -1.21 -0.07 0.00 0.31 0.00 0.00 61.69 60.70 1jda s THR 375 Cb -0.10 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 1jda s THR 375 CO 0.02 -0.28 0.06 -0.69 -0.69 0.00 0.00 174.62 173.03 1jda s VAL 376 N 1.41 4.29 -0.94 3.82 1.01 -0.25 -1.99 120.40 127.75 1jda s VAL 376 Ca 0.00 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 1jda s VAL 376 Cb -0.20 -2.99 0.15 0.00 0.00 0.00 0.00 36.38 33.34 1jda s VAL 376 CO 0.03 0.37 1.10 -0.44 0.00 0.00 0.00 175.10 176.16 1jda s SER 377 N 1.37 6.69 0.79 3.32 0.01 -0.65 0.39 113.70 125.61 1jda s SER 377 Ca 0.05 -2.22 -0.10 0.00 1.31 0.00 0.00 55.95 54.98 1jda s SER 377 Cb -0.15 -2.37 0.07 0.00 0.21 0.00 0.00 66.02 63.78 1jda s SER 377 CO 0.03 -0.96 1.10 -0.83 0.41 0.00 0.00 173.24 172.98 1jda s GLY 378 N 3.35 1.68 0.07 3.44 0.00 0.60 -4.18 107.32 112.28 1jda s GLY 378 Ca 0.32 0.30 0.23 0.00 0.00 0.00 0.00 44.72 45.56 1jda s GLY 378 CO -0.09 0.66 1.72 -1.14 0.00 0.00 0.00 173.10 174.25 1jda n SER 379 N -3.61 0.23 0.00 1.64 3.41 0.11 -3.82 113.62 111.57 1jda n SER 379 Ca 0.09 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1jda n SER 379 Cb 0.53 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1jda n SER 379 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jda n GLN 380 N -1.73 3.04 -3.87 4.33 1.13 0.01 -4.98 117.38 115.31 1jda n GLN 380 Ca 0.05 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 55.02 1jda n GLN 380 Cb 0.28 -0.95 -0.08 0.00 0.11 0.00 0.00 30.24 29.60 1jda n GLN 380 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1jda s GLN 381 N -1.90 0.75 -0.10 -1.09 -0.21 -0.86 -4.99 119.66 111.26 1jda s GLN 381 Ca 0.00 -0.83 -0.06 0.00 0.02 0.00 0.00 55.36 54.49 1jda s GLN 381 Cb 0.00 0.31 -0.04 0.00 1.00 0.00 0.00 33.01 34.28 1jda s GLN 381 CO 0.00 -0.22 0.15 0.99 -2.12 0.00 0.00 175.29 174.09 1jda s THR 382 N -3.26 5.49 0.05 -0.19 2.01 -1.26 -0.29 115.64 118.19 1jda s THR 382 Ca 0.00 0.16 0.07 0.00 0.31 0.00 0.00 61.69 62.23 1jda s THR 382 Cb 0.02 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 1jda s THR 382 CO -0.08 0.57 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.50 1jda s LEU 383 N -1.17 2.67 -0.16 4.42 1.02 0.16 -4.35 118.68 121.27 1jda s LEU 383 Ca 0.17 -0.43 0.02 0.00 0.02 0.00 0.00 54.13 53.91 1jda s LEU 383 Cb -0.12 -1.55 0.02 0.00 0.02 0.00 0.00 46.19 44.55 1jda s LEU 383 CO 0.06 0.24 -0.20 -0.69 0.02 0.00 0.00 176.35 175.78 1jda s VAL 384 N -0.97 2.03 -0.19 -1.59 1.01 -0.96 -1.09 120.40 118.63 1jda s VAL 384 Ca 0.16 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 1jda s VAL 384 Cb -0.11 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.45 1jda s VAL 384 CO 0.06 0.54 -0.10 -0.69 0.00 0.00 0.00 175.10 174.92 1jda s VAL 385 N 1.11 2.99 -0.27 2.92 1.01 0.29 -0.88 120.40 127.58 1jda s VAL 385 Ca 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1jda s VAL 385 Cb -0.14 -2.32 0.07 0.00 0.00 0.00 0.00 36.38 33.99 1jda s VAL 385 CO -0.09 0.47 -0.01 0.00 0.00 0.00 0.00 175.10 175.47 1jda s ALA 386 N 1.24 2.11 -0.25 5.51 0.00 -0.41 -1.06 121.76 128.91 1jda s ALA 386 Ca 0.03 -1.66 -0.08 0.00 0.00 0.00 0.00 51.96 50.24 1jda s ALA 386 Cb -0.14 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 1jda s ALA 386 CO -0.04 -1.37 0.10 -0.51 0.00 0.00 0.00 175.76 173.94 1jda s LEU 387 N 1.32 3.61 -1.43 0.00 1.43 0.82 -2.82 118.68 121.59 1jda s LEU 387 Ca -0.00 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1jda s LEU 387 Cb -0.19 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.06 1jda s LEU 387 CO -0.09 -0.02 0.32 0.59 0.23 0.00 0.00 176.35 177.38 1jda n ASN 388 N 4.83 -0.08 -4.32 2.29 5.03 0.35 -2.19 115.26 121.17 1jda n ASN 388 Ca -0.16 -1.07 -0.16 0.00 0.87 0.00 0.00 54.58 54.06 1jda n ASN 388 Cb 0.52 -2.71 -0.10 0.00 -1.02 0.00 0.00 39.78 36.46 1jda n ASN 388 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1jda s SER 389 N -4.36 1.52 0.00 6.41 1.04 -1.26 -3.25 113.70 113.80 1jda s SER 389 Ca 0.01 -1.28 0.26 0.00 0.48 0.00 0.00 55.95 55.42 1jda s SER 389 Cb -0.00 0.08 0.62 0.00 0.10 0.00 0.00 66.02 66.81 1jda s SER 389 CO 0.91 -0.61 1.48 -0.90 0.98 0.00 0.00 173.24 175.11 1jda n ASP 390 N -0.42 1.36 -4.52 7.02 5.75 -1.26 -4.95 116.55 119.54 1jda n ASP 390 Ca -0.03 -1.13 -0.57 0.00 -0.01 0.00 0.00 54.79 53.05 1jda n ASP 390 Cb 0.65 0.18 -0.07 0.00 -1.03 0.00 0.00 41.12 40.85 1jda n ASP 390 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1jda n LEU 391 N -0.35 0.31 -0.02 -2.12 7.94 -1.26 -4.87 117.00 116.63 1jda n LEU 391 Ca 0.12 1.15 -0.21 0.00 -1.11 0.00 0.00 56.01 55.96 1jda n LEU 391 Cb 0.38 -0.99 -0.13 0.00 0.53 0.00 0.00 43.42 43.21 1jda n LEU 391 CO 0.25 -1.78 -0.55 1.23 -1.11 0.00 0.00 177.39 175.43 1jda h GLY 392 N 3.20 0.21 -3.57 -3.96 0.00 -2.02 -3.49 103.07 93.46 1jda h GLY 392 Ca -0.49 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.20 1jda h GLY 392 CO 0.67 0.48 -0.42 0.54 0.00 0.00 0.00 176.54 177.81 1jda s ASN 393 N -6.98 0.12 0.30 0.19 4.22 -1.26 -5.05 114.94 106.48 1jda s ASN 393 Ca -0.23 -0.56 -0.01 0.00 -2.14 0.00 0.00 52.86 49.93 1jda s ASN 393 Cb 0.05 0.30 0.47 0.00 1.28 0.00 0.00 41.25 43.35 1jda s ASN 393 CO 0.72 -0.63 1.91 1.55 -2.04 0.00 0.00 177.10 178.62 1jda h PRO 394 N 3.16 0.90 0.00 3.55 0.13 -1.95 -2.14 132.00 135.66 1jda h PRO 394 Ca -0.33 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1jda h PRO 394 Cb 1.19 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1jda h PRO 394 CO 0.53 0.69 0.00 0.41 -0.23 0.00 0.00 178.00 179.40 1jda n GLY 395 N -1.15 -0.65 0.22 1.56 0.00 -1.26 -1.77 105.19 102.13 1jda n GLY 395 Ca 0.06 0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.28 1jda n GLY 395 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1jda h GLN 396 N 0.00 0.00 0.00 1.61 4.20 -1.81 -3.34 115.11 115.77 1jda h GLN 396 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jda h GLN 396 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1jda h GLN 396 CO 0.00 0.00 -0.09 1.55 -0.67 0.00 0.00 178.83 179.62 1jda n VAL 397 N -2.90 0.00 -3.78 -0.54 3.14 -0.73 -5.06 118.33 108.45 1jda n VAL 397 Ca 0.03 -0.29 -0.13 0.00 -2.96 0.00 0.00 64.34 61.00 1jda n VAL 397 Cb 0.42 0.91 -0.11 0.00 -1.06 0.00 0.00 33.84 34.00 1jda n VAL 397 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1jda s ALA 398 N -0.75 -0.68 0.38 1.55 0.00 -0.94 -5.01 121.76 116.32 1jda s ALA 398 Ca 0.00 0.72 -0.24 0.00 0.00 0.00 0.00 51.96 52.43 1jda s ALA 398 Cb 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 23.12 22.63 1jda s ALA 398 CO 0.00 -0.14 1.03 0.45 0.00 0.00 0.00 175.76 177.09 1jda s SER 399 N -0.02 6.90 0.00 0.00 0.15 -1.26 -4.23 113.70 115.23 1jda s SER 399 Ca -0.02 1.99 0.00 0.00 0.70 0.00 0.00 55.95 58.63 1jda s SER 399 Cb -0.02 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1jda s SER 399 CO 0.01 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1jda n GLY 400 N 0.37 2.05 3.66 9.45 0.00 -1.26 -5.04 105.19 114.42 1jda n GLY 400 Ca 0.04 -2.17 -0.39 0.00 0.00 0.00 0.00 46.02 43.50 1jda n GLY 400 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jda s SER 401 N 0.00 6.56 0.09 1.61 0.01 -1.26 -4.88 113.70 115.83 1jda s SER 401 Ca 0.00 0.67 0.09 0.00 1.31 0.00 0.00 55.95 58.02 1jda s SER 401 Cb 0.00 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 1jda s SER 401 CO 0.00 -0.18 -0.22 -0.36 0.41 0.00 0.00 173.24 172.88 1jda s PHE 402 N 1.66 1.93 0.01 2.43 0.08 -1.26 -4.92 117.98 117.90 1jda s PHE 402 Ca 0.24 -0.40 0.06 0.00 0.12 0.00 0.00 56.93 56.95 1jda s PHE 402 Cb -0.15 -1.09 -0.02 0.00 -0.57 0.00 0.00 43.02 41.19 1jda s PHE 402 CO 0.10 0.19 -0.18 -1.12 -0.10 0.00 0.00 175.22 174.11 1jda s SER 403 N -1.66 2.12 -0.05 1.36 0.01 -1.26 -4.90 113.70 109.32 1jda s SER 403 Ca 0.09 -0.39 -0.30 0.00 1.31 0.00 0.00 55.95 56.66 1jda s SER 403 Cb -0.10 -0.21 -0.05 0.00 0.21 0.00 0.00 66.02 65.87 1jda s SER 403 CO 0.04 0.18 1.54 -1.61 0.41 0.00 0.00 173.24 173.80 1jda s GLU 404 N -0.71 4.21 -0.26 12.44 0.41 -1.26 0.89 118.70 134.43 1jda s GLU 404 Ca 0.06 2.08 -0.04 0.00 -0.41 0.00 0.00 54.97 56.67 1jda s GLU 404 Cb -0.07 -3.83 -0.16 0.00 -1.78 0.00 0.00 34.13 28.29 1jda s GLU 404 CO 0.00 -0.76 -0.22 0.00 -0.49 0.00 0.00 175.26 173.79 1jda n ALA 405 N 6.54 1.32 -2.90 5.21 0.00 0.38 -4.72 120.51 126.34 1jda n ALA 405 Ca 0.16 -1.07 -0.11 0.00 0.00 0.00 0.00 53.44 52.42 1jda n ALA 405 Cb 0.43 -0.07 -0.13 0.00 0.00 0.00 0.00 19.45 19.68 1jda n ALA 405 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jda s VAL 406 N -2.52 0.12 -0.36 0.00 1.01 -0.91 -4.99 120.40 112.76 1jda s VAL 406 Ca -0.35 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1jda s VAL 406 Cb 0.11 -0.18 0.16 0.00 0.00 0.00 0.00 36.38 36.47 1jda s VAL 406 CO 0.58 -0.21 0.42 0.21 0.00 0.00 0.00 175.10 176.10 1jda s ASN 407 N -0.68 0.64 0.37 3.32 3.04 -1.24 -1.89 114.94 118.50 1jda s ASN 407 Ca -0.07 -1.27 0.04 0.00 0.04 0.00 0.00 52.86 51.60 1jda s ASN 407 Cb -0.05 0.86 -0.05 0.00 -1.54 0.00 0.00 41.25 40.47 1jda s ASN 407 CO -0.00 -0.26 0.06 0.00 -3.04 0.00 0.00 177.10 173.86 1jda s ALA 408 N 1.67 2.71 -0.53 1.71 0.00 0.43 -4.81 121.76 122.95 1jda s ALA 408 Ca 0.16 -1.77 -0.07 0.00 0.00 0.00 0.00 51.96 50.27 1jda s ALA 408 Cb -0.13 0.58 0.01 0.00 0.00 0.00 0.00 23.12 23.58 1jda s ALA 408 CO -0.09 -0.27 0.44 -1.13 0.00 0.00 0.00 175.76 174.71 1jda n SER 409 N -0.89 -3.51 -4.09 0.00 3.41 -1.26 -1.14 113.62 106.12 1jda n SER 409 Ca -0.05 -0.57 -0.31 0.00 -0.26 0.00 0.00 58.87 57.68 1jda n SER 409 Cb 0.66 -1.13 -0.02 0.00 -0.26 0.00 0.00 64.21 63.46 1jda n SER 409 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jda n ASN 410 N -1.30 -2.12 0.00 4.04 4.13 -1.26 -0.67 115.26 118.09 1jda n ASN 410 Ca -0.19 -1.00 0.00 0.00 1.68 0.00 0.00 54.58 55.07 1jda n ASN 410 Cb 0.50 -2.94 0.00 0.00 -1.54 0.00 0.00 39.78 35.79 1jda n ASN 410 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jda n GLY 411 N -1.69 0.91 0.19 7.41 0.00 -0.72 -4.89 105.19 106.41 1jda n GLY 411 Ca -0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.98 1jda n GLY 411 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1jda h GLN 412 N 3.09 0.00 -4.85 1.61 4.20 0.08 -3.39 115.11 115.86 1jda h GLN 412 Ca 0.00 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 58.05 1jda h GLN 412 Cb 0.00 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 27.41 1jda h GLN 412 CO 0.00 0.36 -0.82 0.08 -0.67 0.00 0.00 178.83 177.79 1jda s VAL 413 N -3.87 2.03 -0.05 -0.54 1.01 -0.30 -0.49 120.40 118.19 1jda s VAL 413 Ca -0.01 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 60.64 1jda s VAL 413 Cb 0.12 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.46 1jda s VAL 413 CO 0.69 0.14 -0.06 -0.13 0.00 0.00 0.00 175.10 175.74 1jda s ARG 414 N 1.21 1.04 -0.03 2.72 0.52 -1.13 0.16 118.95 123.45 1jda s ARG 414 Ca -0.04 -0.17 0.01 0.00 -0.52 0.00 0.00 55.73 55.00 1jda s ARG 414 Cb -0.18 -1.00 0.02 0.00 0.52 0.00 0.00 34.95 34.32 1jda s ARG 414 CO -0.08 -0.07 -0.01 0.08 0.02 0.00 0.00 175.30 175.24 1jda s VAL 415 N 0.92 0.23 0.22 3.52 1.01 -0.79 -1.28 120.40 124.23 1jda s VAL 415 Ca -0.11 0.01 0.09 0.00 0.00 0.00 0.00 61.98 61.97 1jda s VAL 415 Cb -0.15 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 1jda s VAL 415 CO 0.00 0.14 -0.16 0.26 0.00 0.00 0.00 175.10 175.35 1jda s TRP 416 N 0.77 1.83 -0.04 5.22 0.51 -0.06 0.14 118.94 127.32 1jda s TRP 416 Ca -0.08 -0.52 -0.01 0.00 -2.12 0.00 0.00 56.10 53.37 1jda s TRP 416 Cb -0.11 -0.84 0.00 0.00 -0.81 0.00 0.00 33.47 31.71 1jda s TRP 416 CO -0.01 0.43 0.02 -2.13 -0.51 0.00 0.00 176.95 174.76 1jda n ARG 417 N -0.42 -0.39 0.00 4.98 0.63 0.26 -2.26 116.66 119.46 1jda n ARG 417 Ca -0.07 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.61 1jda n ARG 417 Cb 0.60 -1.70 0.00 0.00 0.45 0.00 0.00 32.46 31.82 1jda n ARG 417 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55