#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jje n GLU 2 N 0.00 3.93 -2.26 0.00 4.07 -1.26 -4.84 120.64 120.28 1jje n GLU 2 Ca 0.00 -0.22 -0.43 0.00 -0.06 0.00 0.00 57.16 56.45 1jje n GLU 2 Cb 0.00 -0.77 0.00 0.00 -0.06 0.00 0.00 31.44 30.61 1jje n GLU 2 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1jje n SER 3 N -0.66 4.66 -4.94 4.31 7.64 -1.26 -5.04 113.62 118.34 1jje n SER 3 Ca 0.01 -2.96 -0.25 0.00 1.01 0.00 0.00 58.87 56.68 1jje n SER 3 Cb 0.05 -1.60 -0.01 0.00 -1.01 0.00 0.00 64.21 61.64 1jje n SER 3 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1jje s LEU 4 N 1.67 4.02 0.46 -3.43 1.43 -1.26 -5.07 118.68 116.51 1jje s LEU 4 Ca 0.45 0.49 -0.24 0.00 -1.03 0.00 0.00 54.13 53.80 1jje s LEU 4 Cb 0.08 -3.35 -0.08 0.00 0.03 0.00 0.00 46.19 42.87 1jje s LEU 4 CO -0.02 -0.28 1.29 -2.65 0.23 0.00 0.00 176.35 174.93 1jje n PRO 5 N -1.62 1.88 -1.57 1.29 -0.02 -1.26 -4.97 135.00 128.72 1jje n PRO 5 Ca -0.04 0.67 -0.32 0.00 -2.02 0.00 0.00 63.50 61.79 1jje n PRO 5 Cb 0.56 -2.44 0.06 0.00 -0.02 0.00 0.00 33.50 31.65 1jje n PRO 5 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jje s ASP 6 N -0.63 4.93 0.16 2.55 1.01 -1.26 -4.55 116.67 118.87 1jje s ASP 6 Ca 0.64 1.90 -0.34 0.00 0.71 0.00 0.00 52.55 55.45 1jje s ASP 6 Cb -0.48 -2.53 -0.14 0.00 1.01 0.00 0.00 42.92 40.77 1jje s ASP 6 CO 0.56 -1.75 1.49 -0.11 0.21 0.00 0.00 175.17 175.57 1jje n LEU 7 N -2.87 2.74 -4.62 1.23 7.94 -1.26 -4.87 117.00 115.29 1jje n LEU 7 Ca 0.10 1.10 -0.29 0.00 -1.11 0.00 0.00 56.01 55.80 1jje n LEU 7 Cb 0.53 -1.37 -0.09 0.00 0.53 0.00 0.00 43.42 43.02 1jje n LEU 7 CO 0.50 -0.51 -0.38 -0.54 -1.11 0.00 0.00 177.39 175.36 1jje s LYS 8 N 0.60 2.30 -0.11 1.96 1.02 -0.29 -4.97 119.74 120.24 1jje s LYS 8 Ca 0.78 -0.98 -0.02 0.00 0.02 0.00 0.00 55.97 55.77 1jje s LYS 8 Cb -0.74 -2.38 0.04 0.00 -0.52 0.00 0.00 37.83 34.23 1jje s LYS 8 CO 0.42 0.51 0.01 0.42 -0.92 0.00 0.00 175.35 175.79 1jje s ILE 9 N -1.33 0.41 0.03 2.17 1.01 -1.26 -1.57 121.20 120.65 1jje s ILE 9 Ca 0.24 -0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.84 1jje s ILE 9 Cb -0.11 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 1jje s ILE 9 CO 0.16 0.10 -0.14 -1.61 0.00 0.00 0.00 174.94 173.45 1jje s GLU 10 N 1.94 0.98 -0.20 2.79 2.02 0.44 -4.97 118.70 121.70 1jje s GLU 10 Ca 0.03 -0.69 -0.27 0.00 0.02 0.00 0.00 54.97 54.06 1jje s GLU 10 Cb -0.14 -0.98 -0.00 0.00 0.10 0.00 0.00 34.13 33.11 1jje s GLU 10 CO -0.06 0.25 0.92 0.21 0.02 0.00 0.00 175.26 176.60 1jje s LYS 11 N -0.93 4.28 -0.20 1.61 2.20 -1.26 -0.37 119.74 125.07 1jje s LYS 11 Ca 0.03 1.16 -0.05 0.00 -0.36 0.00 0.00 55.97 56.75 1jje s LYS 11 Cb -0.07 -3.61 -0.21 0.00 -1.51 0.00 0.00 37.83 32.44 1jje s LYS 11 CO 0.01 -0.46 0.05 -0.11 -0.36 0.00 0.00 175.35 174.47 1jje n LEU 12 N 5.72 2.65 -3.83 5.43 7.94 0.11 -4.92 117.00 130.10 1jje n LEU 12 Ca 0.08 0.10 -0.09 0.00 -1.11 0.00 0.00 56.01 54.98 1jje n LEU 12 Cb 0.48 -1.00 0.02 0.00 0.53 0.00 0.00 43.42 43.45 1jje n LEU 12 CO 0.50 0.81 0.50 -0.62 -1.11 0.00 0.00 177.39 177.47 1jje s ASP 13 N -6.86 0.11 0.05 1.96 2.15 -0.71 -5.02 116.67 108.34 1jje s ASP 13 Ca -0.29 -1.22 -0.31 0.00 0.43 0.00 0.00 52.55 51.16 1jje s ASP 13 Cb 0.08 0.85 -0.10 0.00 -0.30 0.00 0.00 42.92 43.45 1jje s ASP 13 CO 0.66 -1.69 1.92 -0.62 -0.17 0.00 0.00 175.17 175.27 1jje n GLU 14 N -0.54 2.74 -1.10 4.34 -0.58 -1.26 -1.53 120.64 122.72 1jje n GLU 14 Ca -0.08 1.00 -0.03 0.00 -0.42 0.00 0.00 57.16 57.63 1jje n GLU 14 Cb 0.60 -2.93 -0.01 0.00 -0.57 0.00 0.00 31.44 28.53 1jje n GLU 14 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jje n GLY 15 N 4.42 0.58 2.65 0.62 0.00 -1.26 -4.95 105.19 107.24 1jje n GLY 15 Ca 0.20 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1jje n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jje s VAL 16 N -1.85 0.21 -0.02 1.61 1.01 -0.58 -0.30 120.40 120.48 1jje s VAL 16 Ca 0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 1jje s VAL 16 Cb 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1jje s VAL 16 CO 0.00 -0.40 0.03 -0.31 0.00 0.00 0.00 175.10 174.42 1jje s TYR 17 N 1.99 3.17 -0.19 5.22 1.51 -0.35 -0.71 117.35 127.98 1jje s TYR 17 Ca 0.03 0.15 -0.10 0.00 -1.01 0.00 0.00 57.07 56.15 1jje s TYR 17 Cb -0.16 -1.72 -0.05 0.00 -0.11 0.00 0.00 41.96 39.91 1jje s TYR 17 CO -0.17 0.50 0.13 0.08 -1.11 0.00 0.00 175.55 174.98 1jje s VAL 18 N -1.08 5.40 -0.11 0.71 1.01 0.50 -0.51 120.40 126.33 1jje s VAL 18 Ca 0.19 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 1jje s VAL 18 Cb -0.12 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1jje s VAL 18 CO 0.10 0.46 -0.07 -1.38 0.00 0.00 0.00 175.10 174.20 1jje s HIS 19 N 0.24 2.95 -0.15 5.22 -3.43 -0.71 -0.42 115.29 119.00 1jje s HIS 19 Ca 0.08 -0.20 0.00 0.00 -0.80 0.00 0.00 55.06 54.15 1jje s HIS 19 Cb -0.11 -1.82 0.02 0.00 -1.43 0.00 0.00 32.58 29.24 1jje s HIS 19 CO -0.01 0.11 -0.14 0.99 -2.00 0.00 0.00 174.74 173.68 1jje s THR 20 N -0.20 1.57 0.26 -5.38 2.01 -0.61 -1.57 115.64 111.71 1jje s THR 20 Ca 0.03 -0.63 0.11 0.00 0.31 0.00 0.00 61.69 61.51 1jje s THR 20 Cb -0.13 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 70.87 1jje s THR 20 CO 0.03 0.46 -0.16 -0.94 -0.69 0.00 0.00 174.62 173.32 1jje s SER 21 N 1.45 3.82 0.01 3.53 1.04 -0.72 -1.13 113.70 121.69 1jje s SER 21 Ca 0.04 -0.89 0.04 0.00 0.48 0.00 0.00 55.95 55.62 1jje s SER 21 Cb -0.13 -0.44 -0.02 0.00 0.10 0.00 0.00 66.02 65.54 1jje s SER 21 CO -0.10 0.05 -0.14 -0.36 0.98 0.00 0.00 173.24 173.67 1jje s PHE 22 N -2.30 1.22 -0.21 5.02 0.40 -1.26 -0.73 117.98 120.12 1jje s PHE 22 Ca 0.29 -0.28 -0.23 0.00 -0.60 0.00 0.00 56.93 56.11 1jje s PHE 22 Cb -0.06 -0.75 0.06 0.00 0.51 0.00 0.00 43.02 42.78 1jje s PHE 22 CO 0.15 0.01 0.62 -2.00 0.70 0.00 0.00 175.22 174.70 1jje s GLU 23 N -0.69 0.76 0.04 0.44 2.56 -1.05 -4.95 118.70 115.81 1jje s GLU 23 Ca 0.04 0.77 -0.30 0.00 0.00 0.00 0.00 54.97 55.48 1jje s GLU 23 Cb -0.06 0.37 -0.04 0.00 2.00 0.00 0.00 34.13 36.40 1jje s GLU 23 CO 0.00 -0.12 0.97 -1.21 -0.56 0.00 0.00 175.26 174.35 1jje s GLU 24 N 0.11 4.61 -0.08 4.30 2.02 -1.26 0.61 118.70 129.01 1jje s GLU 24 Ca -0.02 1.43 -0.02 0.00 0.02 0.00 0.00 54.97 56.39 1jje s GLU 24 Cb -0.04 -3.43 0.03 0.00 0.10 0.00 0.00 34.13 30.79 1jje s GLU 24 CO 0.02 0.04 0.01 0.08 0.02 0.00 0.00 175.26 175.43 1jje s VAL 25 N 0.66 0.36 0.00 2.63 1.01 -0.99 -4.94 120.40 119.14 1jje s VAL 25 Ca 0.50 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1jje s VAL 25 Cb -0.22 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1jje s VAL 25 CO 0.29 0.22 0.00 -0.46 0.00 0.00 0.00 175.10 175.14 1jje n ASN 26 N 5.15 0.00 -0.93 3.32 2.04 -1.26 -0.39 115.26 123.19 1jje n ASN 26 Ca -0.07 0.00 0.08 0.00 -0.44 0.00 0.00 54.58 54.15 1jje n ASN 26 Cb 0.50 0.00 0.22 0.00 -2.53 0.00 0.00 39.78 37.97 1jje n ASN 26 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1jje n GLY 27 N 0.00 2.63 0.74 4.83 0.00 -1.26 -4.35 105.19 107.79 1jje n GLY 27 Ca 0.00 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.60 1jje n GLY 27 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1jje n TRP 28 N 0.98 0.03 -4.19 1.61 8.01 0.48 -5.07 117.44 119.29 1jje n TRP 28 Ca 0.17 -0.02 0.00 0.00 -1.31 0.00 0.00 57.50 56.34 1jje n TRP 28 Cb 0.51 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.81 1jje n TRP 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1jje n GLY 29 N 1.27 -1.49 3.68 6.99 0.00 -1.22 -4.70 105.19 109.72 1jje n GLY 29 Ca 0.17 -1.29 -0.47 0.00 0.00 0.00 0.00 46.02 44.43 1jje n GLY 29 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1jje n VAL 30 N -0.21 0.44 -3.88 1.61 0.31 -1.26 -2.33 118.33 113.00 1jje n VAL 30 Ca 0.00 -0.08 -0.35 0.00 -0.01 0.00 0.00 64.34 63.90 1jje n VAL 30 Cb 0.00 -1.84 -0.14 0.00 -0.91 0.00 0.00 33.84 30.95 1jje n VAL 30 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1jje s VAL 31 N 3.22 3.56 0.23 2.52 1.01 0.20 -4.91 120.40 126.23 1jje s VAL 31 Ca 0.88 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 1jje s VAL 31 Cb -0.65 -2.63 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 1jje s VAL 31 CO 0.46 0.41 0.97 -2.16 0.00 0.00 0.00 175.10 174.78 1jje s PRO 32 N 1.50 4.80 -0.11 2.72 0.04 -1.26 -2.54 135.00 140.15 1jje s PRO 32 Ca 0.06 1.53 0.01 0.00 0.04 0.00 0.00 61.00 62.64 1jje s PRO 32 Cb -0.14 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 31.13 1jje s PRO 32 CO -0.02 0.43 -0.12 0.21 0.04 0.00 0.00 177.00 177.54 1jje s LYS 33 N -1.03 1.92 -0.08 4.56 2.47 0.10 -4.58 119.74 123.10 1jje s LYS 33 Ca 0.42 -0.43 -0.05 0.00 -1.56 0.00 0.00 55.97 54.35 1jje s LYS 33 Cb -0.26 -1.76 -0.04 0.00 -1.46 0.00 0.00 37.83 34.30 1jje s LYS 33 CO 0.33 -0.16 0.15 -1.01 0.16 0.00 0.00 175.35 174.82 1jje s HIS 34 N 1.30 3.56 0.30 4.03 3.76 0.31 -1.76 115.29 126.79 1jje s HIS 34 Ca -0.01 0.46 0.06 0.00 -0.15 0.00 0.00 55.06 55.42 1jje s HIS 34 Cb -0.14 -1.89 -0.02 0.00 1.11 0.00 0.00 32.58 31.64 1jje s HIS 34 CO -0.05 0.70 0.23 0.41 -0.85 0.00 0.00 174.74 175.17 1jje n GLY 35 N 1.62 3.09 3.37 -2.22 0.00 -0.61 -4.57 105.19 105.87 1jje n GLY 35 Ca -0.17 -1.90 -0.20 0.00 0.00 0.00 0.00 46.02 43.75 1jje n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jje s LEU 36 N 0.00 2.55 -0.16 0.99 1.43 0.54 -1.73 118.68 122.30 1jje s LEU 36 Ca 0.32 -1.00 0.02 0.00 -1.03 0.00 0.00 54.13 52.44 1jje s LEU 36 Cb 0.02 -0.79 0.01 0.00 0.03 0.00 0.00 46.19 45.46 1jje s LEU 36 CO 0.23 -0.11 -0.21 -0.69 0.23 0.00 0.00 176.35 175.80 1jje s VAL 37 N -2.74 2.04 -0.15 -1.59 1.01 0.33 0.84 120.40 120.15 1jje s VAL 37 Ca 0.23 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1jje s VAL 37 Cb -0.02 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1jje s VAL 37 CO 0.08 0.54 -0.04 -0.69 0.00 0.00 0.00 175.10 174.99 1jje s VAL 38 N 1.02 3.84 -0.16 2.92 1.01 0.19 -1.22 120.40 128.01 1jje s VAL 38 Ca -0.02 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 1jje s VAL 38 Cb -0.14 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1jje s VAL 38 CO -0.07 0.50 0.03 -0.76 0.00 0.00 0.00 175.10 174.80 1jje s LEU 39 N 0.31 3.66 -0.41 3.92 1.43 0.59 -0.98 118.68 127.21 1jje s LEU 39 Ca -0.04 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.16 1jje s LEU 39 Cb -0.14 -1.90 0.11 0.00 0.03 0.00 0.00 46.19 44.29 1jje s LEU 39 CO 0.03 0.22 0.13 -0.69 0.23 0.00 0.00 176.35 176.27 1jje s VAL 40 N 0.07 2.34 0.00 -1.59 1.01 0.77 -4.77 120.40 118.23 1jje s VAL 40 Ca 0.04 -2.68 0.00 0.00 0.00 0.00 0.00 61.98 59.34 1jje s VAL 40 Cb -0.13 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1jje s VAL 40 CO 0.01 -0.68 0.00 0.59 0.00 0.00 0.00 175.10 175.02 1jje n ASN 41 N 3.84 0.00 -1.05 3.32 3.02 -1.26 -1.64 115.26 121.49 1jje n ASN 41 Ca 0.04 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.70 1jje n ASN 41 Cb 0.38 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.75 1jje n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jje n ALA 42 N 11.97 2.40 -2.37 5.41 0.00 -1.26 -4.91 120.51 131.75 1jje n ALA 42 Ca 0.00 -0.98 -0.39 0.00 0.00 0.00 0.00 53.44 52.07 1jje n ALA 42 Cb 0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 1jje n ALA 42 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1jje s GLU 43 N -1.38 4.32 -0.05 0.00 2.02 -0.65 -1.48 118.70 121.48 1jje s GLU 43 Ca 0.35 0.81 0.06 0.00 0.02 0.00 0.00 54.97 56.21 1jje s GLU 43 Cb 0.21 -3.31 -0.01 0.00 0.10 0.00 0.00 34.13 31.11 1jje s GLU 43 CO 0.29 0.46 -0.23 0.00 0.02 0.00 0.00 175.26 175.79 1jje s ALA 44 N -0.52 2.25 -0.12 5.21 0.00 -0.20 -0.16 121.76 128.21 1jje s ALA 44 Ca 0.32 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1jje s ALA 44 Cb -0.19 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.23 1jje s ALA 44 CO 0.19 0.45 -0.23 0.71 0.00 0.00 0.00 175.76 176.89 1jje s TYR 45 N -0.31 2.62 -0.18 0.00 1.51 -0.16 -0.80 117.35 120.03 1jje s TYR 45 Ca 0.01 -1.17 -0.25 0.00 -1.01 0.00 0.00 57.07 54.65 1jje s TYR 45 Cb -0.13 -1.76 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 1jje s TYR 45 CO 0.02 -0.50 0.84 -0.51 -1.11 0.00 0.00 175.55 174.29 1jje s LEU 46 N 0.56 4.16 -0.47 -1.29 1.43 -0.72 -0.64 118.68 121.71 1jje s LEU 46 Ca -0.13 1.16 -0.10 0.00 -1.03 0.00 0.00 54.13 54.03 1jje s LEU 46 Cb -0.17 -3.24 0.12 0.00 0.03 0.00 0.00 46.19 42.93 1jje s LEU 46 CO 0.04 -0.42 0.36 -0.63 0.23 0.00 0.00 176.35 175.93 1jje s ILE 47 N 2.25 4.37 0.29 -0.59 -1.09 0.25 -0.91 121.20 125.76 1jje s ILE 47 Ca 0.38 -1.69 0.00 0.00 -2.23 0.00 0.00 60.65 57.11 1jje s ILE 47 Cb -0.16 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 1jje s ILE 47 CO 0.12 -0.75 0.00 0.47 -1.23 0.00 0.00 174.94 173.54 1jje n ASP 48 N 4.96 -4.34 -4.92 3.58 9.92 0.49 -0.34 116.55 125.91 1jje n ASP 48 Ca -0.09 0.86 -0.27 0.00 -0.53 0.00 0.00 54.79 54.76 1jje n ASP 48 Cb 0.41 -1.99 -0.01 0.00 -0.64 0.00 0.00 41.12 38.89 1jje n ASP 48 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1jje s THR 49 N -4.23 4.99 1.27 -3.53 -4.23 -0.81 -4.68 115.64 104.42 1jje s THR 49 Ca 0.00 -0.01 -0.18 0.00 -1.18 0.00 0.00 61.69 60.32 1jje s THR 49 Cb 0.00 -3.83 0.29 0.00 1.34 0.00 0.00 72.50 70.30 1jje s THR 49 CO 0.00 -0.63 0.75 -2.65 -0.54 0.00 0.00 174.62 171.55 1jje n PRO 50 N -1.77 -3.22 0.27 3.99 -0.02 -1.26 -4.16 135.00 128.82 1jje n PRO 50 Ca -0.01 -0.93 0.10 0.00 -2.02 0.00 0.00 63.50 60.63 1jje n PRO 50 Cb 0.55 -1.95 0.71 0.00 -0.02 0.00 0.00 33.50 32.79 1jje n PRO 50 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1jje h PHE 51 N -2.96 0.00 -4.24 6.00 0.04 -1.79 -3.29 116.94 110.71 1jje h PHE 51 Ca -0.51 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.06 1jje h PHE 51 Cb 1.29 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.29 1jje h PHE 51 CO -1.41 0.04 -0.66 0.95 -0.60 0.00 0.00 178.31 176.63 1jje s THR 52 N -4.80 0.26 0.17 -1.55 -4.23 -1.26 -4.27 115.64 99.97 1jje s THR 52 Ca -0.05 -1.92 -0.14 0.00 -1.18 0.00 0.00 61.69 58.41 1jje s THR 52 Cb 0.16 -2.00 0.07 0.00 1.34 0.00 0.00 72.50 72.07 1jje s THR 52 CO 0.63 -0.53 1.76 0.00 -0.54 0.00 0.00 174.62 175.94 1jje h ALA 53 N 2.86 0.56 -0.97 3.99 0.00 -1.89 -0.35 119.26 123.46 1jje h ALA 53 Ca -0.35 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.65 1jje h ALA 53 Cb 1.19 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1jje h ALA 53 CO 0.61 -0.20 0.63 1.57 0.00 0.00 0.00 179.25 181.85 1jje h LYS 54 N 0.36 1.15 0.01 0.00 5.09 -1.96 0.19 116.57 121.42 1jje h LYS 54 Ca 0.21 -0.07 -0.20 0.00 0.09 0.00 0.00 60.65 60.69 1jje h LYS 54 Cb 0.19 -0.26 -0.02 0.00 0.10 0.00 0.00 32.23 32.25 1jje h LYS 54 CO -0.20 0.76 -0.90 -0.44 -2.09 0.00 0.00 179.45 176.58 1jje h ASP 55 N 1.18 0.15 -0.62 7.07 3.32 -1.85 -2.29 116.42 123.39 1jje h ASP 55 Ca 0.40 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 1jje h ASP 55 Cb 0.07 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1jje h ASP 55 CO -0.14 0.97 0.14 0.74 -1.72 0.00 0.00 179.24 179.23 1jje h THR 56 N 0.06 1.26 0.25 0.35 2.02 -0.04 0.04 112.91 116.84 1jje h THR 56 Ca -0.03 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 1jje h THR 56 Cb 1.55 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1jje h THR 56 CO 0.13 0.35 -0.12 -0.08 0.37 0.00 0.00 175.52 176.17 1jje h GLU 57 N 0.92 -0.32 -0.90 6.66 4.81 -0.63 -0.40 114.58 124.73 1jje h GLU 57 Ca 0.19 0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.64 1jje h GLU 57 Cb 0.37 0.07 -0.11 0.00 0.63 0.00 0.00 28.75 29.71 1jje h GLU 57 CO 0.00 -0.18 0.45 0.87 -0.73 0.00 0.00 179.01 179.42 1jje h LYS 58 N -0.37 0.51 -0.29 1.92 1.57 -1.05 -0.41 116.57 118.45 1jje h LYS 58 Ca -0.03 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 1jje h LYS 58 Cb 0.28 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1jje h LYS 58 CO 0.06 0.34 -0.23 1.25 -0.57 0.00 0.00 179.45 180.29 1jje h LEU 59 N 0.53 0.71 -0.47 2.94 5.85 -0.53 -1.69 115.31 122.65 1jje h LEU 59 Ca 0.53 -0.45 -0.15 0.00 0.84 0.00 0.00 57.88 58.66 1jje h LEU 59 Cb 0.92 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1jje h LEU 59 CO -0.45 1.01 -0.32 0.58 -0.34 0.00 0.00 178.44 178.92 1jje h VAL 60 N 0.42 1.27 -0.52 1.05 2.07 -0.39 -3.03 116.25 117.13 1jje h VAL 60 Ca 0.05 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.07 1jje h VAL 60 Cb 0.79 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1jje h VAL 60 CO 0.06 0.50 0.25 0.74 0.02 0.00 0.00 177.57 179.14 1jje h THR 61 N 0.78 1.20 -0.95 2.57 2.02 -1.05 -0.55 112.91 116.92 1jje h THR 61 Ca 0.08 -0.55 0.05 0.00 0.77 0.00 0.00 66.41 66.76 1jje h THR 61 Cb 0.90 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 67.85 1jje h THR 61 CO 0.08 0.22 0.62 -0.25 0.37 0.00 0.00 175.52 176.56 1jje h TRP 62 N 0.70 1.14 0.12 3.16 7.01 -1.19 0.11 115.95 126.99 1jje h TRP 62 Ca 0.18 0.03 -0.29 0.00 2.11 0.00 0.00 58.89 60.92 1jje h TRP 62 Cb 0.12 -0.38 0.02 0.00 -2.10 0.00 0.00 29.16 26.82 1jje h TRP 62 CO -0.01 0.62 -1.23 0.74 -2.79 0.00 0.00 178.44 175.78 1jje h PHE 63 N 1.14 0.88 -0.29 2.65 0.04 -1.42 -3.22 116.94 116.72 1jje h PHE 63 Ca 0.40 -0.56 -0.05 0.00 2.80 0.00 0.00 57.97 60.56 1jje h PHE 63 Cb 0.11 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 1jje h PHE 63 CO -0.00 1.41 -0.03 0.28 -0.60 0.00 0.00 178.31 179.37 1jje h VAL 64 N 0.23 1.19 0.00 -0.55 2.07 -0.37 -0.85 116.25 117.97 1jje h VAL 64 Ca -0.17 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1jje h VAL 64 Cb 1.90 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1jje h VAL 64 CO 0.23 0.26 0.00 -0.62 0.02 0.00 0.00 177.57 177.45 1jje n GLU 65 N -4.28 0.07 -0.15 1.57 1.02 0.31 -2.38 120.64 116.80 1jje n GLU 65 Ca 0.01 0.14 0.09 0.00 -0.02 0.00 0.00 57.16 57.38 1jje n GLU 65 Cb 0.25 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.34 1jje n GLU 65 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1jje n ARG 66 N -1.45 2.20 0.00 3.49 1.74 -0.36 -4.97 116.66 117.31 1jje n ARG 66 Ca 0.06 -2.03 0.00 0.00 -0.77 0.00 0.00 57.85 55.11 1jje n ARG 66 Cb 0.22 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1jje n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jje n GLY 67 N 1.14 1.00 3.96 -0.13 0.00 -1.00 -5.08 105.19 105.06 1jje n GLY 67 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 1jje n GLY 67 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jje s TYR 68 N -2.00 3.38 -0.12 1.61 1.51 -1.01 -4.94 117.35 115.79 1jje s TYR 68 Ca 0.00 -0.05 -0.02 0.00 -1.01 0.00 0.00 57.07 56.00 1jje s TYR 68 Cb 0.00 -1.59 -0.03 0.00 -0.11 0.00 0.00 41.96 40.23 1jje s TYR 68 CO 0.00 0.41 -0.06 -1.59 -1.11 0.00 0.00 175.55 173.20 1jje s LYS 69 N -3.98 3.27 -0.30 -0.62 -2.85 -0.55 -4.24 119.74 110.47 1jje s LYS 69 Ca 0.35 -0.54 -0.27 0.00 -1.00 0.00 0.00 55.97 54.51 1jje s LYS 69 Cb -0.09 -2.76 0.01 0.00 -2.06 0.00 0.00 37.83 32.93 1jje s LYS 69 CO 0.29 0.42 0.94 0.42 0.10 0.00 0.00 175.35 177.52 1jje s ILE 70 N -0.14 4.65 -0.13 3.79 -1.09 -1.26 -1.04 121.20 125.98 1jje s ILE 70 Ca 0.02 1.52 0.22 0.00 -2.23 0.00 0.00 60.65 60.18 1jje s ILE 70 Cb -0.13 -4.29 -0.17 0.00 -1.58 0.00 0.00 42.46 36.29 1jje s ILE 70 CO 0.03 -0.35 0.75 0.29 -1.23 0.00 0.00 174.94 174.43 1jje n LYS 71 N 6.52 0.63 0.00 2.79 4.76 0.02 -4.90 118.16 127.98 1jje n LYS 71 Ca 0.08 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1jje n LYS 71 Cb 0.47 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 1jje n LYS 71 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jje n GLY 72 N 1.23 1.02 3.21 0.72 0.00 -1.25 -4.25 105.19 105.89 1jje n GLY 72 Ca -0.03 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 1jje n GLY 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jje s SER 73 N 0.00 2.05 -0.03 1.61 1.04 -0.40 -1.76 113.70 116.22 1jje s SER 73 Ca 0.00 -0.61 0.07 0.00 0.48 0.00 0.00 55.95 55.89 1jje s SER 73 Cb 0.00 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.00 1jje s SER 73 CO 0.00 0.01 -0.23 -0.51 0.98 0.00 0.00 173.24 173.48 1jje s ILE 74 N -1.13 1.86 -0.16 -1.02 1.10 -0.09 0.14 121.20 121.89 1jje s ILE 74 Ca 0.02 -1.00 -0.03 0.00 -0.51 0.00 0.00 60.65 59.14 1jje s ILE 74 Cb -0.10 -1.55 -0.02 0.00 0.15 0.00 0.00 42.46 40.94 1jje s ILE 74 CO 0.03 0.53 -0.07 -0.44 -2.11 0.00 0.00 174.94 172.88 1jje s SER 75 N -0.44 4.43 0.12 4.50 0.01 -0.90 -0.38 113.70 121.04 1jje s SER 75 Ca 0.06 -0.26 0.27 0.00 1.31 0.00 0.00 55.95 57.33 1jje s SER 75 Cb -0.10 -1.72 0.94 0.00 0.21 0.00 0.00 66.02 65.35 1jje s SER 75 CO 0.00 0.12 1.80 -1.54 0.41 0.00 0.00 173.24 174.04 1jje n SER 76 N 3.85 0.49 -3.64 2.44 3.41 -1.26 -4.65 113.62 114.26 1jje n SER 76 Ca -0.18 0.50 -0.00 0.00 -0.26 0.00 0.00 58.87 58.93 1jje n SER 76 Cb 0.52 -0.61 -0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1jje n SER 76 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1jje s HIS 77 N -3.06 -0.04 -0.78 7.33 -3.43 -1.26 -0.99 115.29 113.06 1jje s HIS 77 Ca 0.12 -0.16 0.26 0.00 -0.80 0.00 0.00 55.06 54.48 1jje s HIS 77 Cb 0.15 0.60 0.85 0.00 -1.43 0.00 0.00 32.58 32.75 1jje s HIS 77 CO 0.58 -0.52 1.76 1.97 -2.00 0.00 0.00 174.74 176.54 1jje n PHE 78 N -0.57 0.72 -1.78 0.38 -1.74 -1.26 -4.40 117.46 108.81 1jje n PHE 78 Ca -0.06 0.21 -0.37 0.00 -0.56 0.00 0.00 57.45 56.67 1jje n PHE 78 Cb 0.61 -0.83 0.06 0.00 1.52 0.00 0.00 39.48 40.84 1jje n PHE 78 CO 0.00 0.00 0.00 -1.01 -0.56 0.00 0.00 176.76 175.19 1jje s HIS 79 N -3.08 2.17 -0.77 2.97 3.76 -1.26 -4.66 115.29 114.42 1jje s HIS 79 Ca 0.11 1.45 0.13 0.00 -0.15 0.00 0.00 55.06 56.60 1jje s HIS 79 Cb 0.14 -3.72 0.60 0.00 1.11 0.00 0.00 32.58 30.71 1jje s HIS 79 CO 0.60 -2.88 1.41 -1.13 -0.85 0.00 0.00 174.74 171.89 1jje n SER 80 N -1.57 0.22 0.00 1.40 3.41 -1.26 -1.19 113.62 114.63 1jje n SER 80 Ca 0.14 0.57 0.10 0.00 -0.26 0.00 0.00 58.87 59.42 1jje n SER 80 Cb 0.47 -0.61 0.46 0.00 -0.26 0.00 0.00 64.21 64.27 1jje n SER 80 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1jje n ASP 81 N -1.76 0.00 -0.01 4.04 5.75 -1.26 -0.93 116.55 122.38 1jje n ASP 81 Ca 0.01 0.21 0.02 0.00 -0.01 0.00 0.00 54.79 55.03 1jje n ASP 81 Cb 0.11 -0.38 -0.05 0.00 -1.03 0.00 0.00 41.12 39.78 1jje n ASP 81 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1jje n SER 82 N -1.38 3.51 0.00 -1.12 7.64 -0.33 -4.48 113.62 117.45 1jje n SER 82 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1jje n SER 82 Cb 0.19 1.21 0.00 0.00 -1.01 0.00 0.00 64.21 64.60 1jje n SER 82 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1jje n THR 83 N -1.79 0.37 0.27 0.44 -2.24 -0.83 -1.92 114.28 108.57 1jje n THR 83 Ca -0.02 -0.59 0.14 0.00 -2.27 0.00 0.00 64.05 61.30 1jje n THR 83 Cb 0.24 0.92 0.67 0.00 -2.10 0.00 0.00 70.33 70.06 1jje n THR 83 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1jje h GLY 84 N 0.00 0.00 -2.02 3.38 0.00 -1.10 -2.39 103.07 100.94 1jje h GLY 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jje h GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1jje n GLY 85 N -0.72 2.48 0.10 4.60 0.00 -1.25 -3.94 105.19 106.47 1jje n GLY 85 Ca -0.00 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 1jje n GLY 85 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jje h ILE 86 N 3.29 1.15 -0.01 -0.61 2.04 -1.79 -2.15 117.51 119.41 1jje h ILE 86 Ca 0.00 -0.44 0.03 0.00 1.00 0.00 0.00 64.86 65.45 1jje h ILE 86 Cb 0.87 1.15 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 1jje h ILE 86 CO 0.00 0.14 -0.51 -0.08 0.00 0.00 0.00 178.15 177.70 1jje h GLU 87 N 0.11 -0.62 -0.66 2.37 4.81 -1.82 0.02 114.58 118.80 1jje h GLU 87 Ca 0.05 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.43 1jje h GLU 87 Cb 0.16 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.60 1jje h GLU 87 CO -0.01 -0.41 0.26 2.35 -0.73 0.00 0.00 179.01 180.47 1jje h TRP 88 N -0.64 0.45 -0.64 0.92 7.01 -1.85 -0.86 115.95 120.34 1jje h TRP 88 Ca 0.03 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 1jje h TRP 88 Cb 0.71 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.64 1jje h TRP 88 CO -0.50 0.10 0.33 -0.07 -2.79 0.00 0.00 178.44 175.51 1jje h LEU 89 N 0.44 0.79 -0.53 0.65 3.38 -0.70 -1.99 115.31 117.34 1jje h LEU 89 Ca 0.34 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1jje h LEU 89 Cb 0.44 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1jje h LEU 89 CO -0.33 0.66 0.33 0.78 0.09 0.00 0.00 178.44 179.96 1jje h ASN 90 N 0.89 0.64 0.04 -0.43 -0.26 0.28 -1.27 115.58 115.47 1jje h ASN 90 Ca 0.22 -0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 55.91 1jje h ASN 90 Cb 0.06 -0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 37.16 1jje h ASN 90 CO -0.03 0.50 -0.00 0.77 -1.06 0.00 0.00 177.43 177.61 1jje h SER 91 N 0.72 0.00 -0.36 5.81 4.64 -0.51 -0.59 113.55 123.25 1jje h SER 91 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1jje h SER 91 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1jje h SER 91 CO -0.04 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.46 1jje n ARG 92 N -3.12 2.34 -3.69 4.77 3.00 -0.57 -4.96 116.66 114.43 1jje n ARG 92 Ca -0.03 -2.14 -0.26 0.00 -0.01 0.00 0.00 57.85 55.41 1jje n ARG 92 Cb 0.08 -1.44 0.06 0.00 0.00 0.00 0.00 32.46 31.17 1jje n ARG 92 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1jje n SER 93 N 1.24 -5.90 -4.38 0.55 7.64 -0.23 -4.98 113.62 107.55 1jje n SER 93 Ca 0.17 -0.61 -0.37 0.00 1.01 0.00 0.00 58.87 59.06 1jje n SER 93 Cb 0.54 -4.70 -0.12 0.00 -1.01 0.00 0.00 64.21 58.91 1jje n SER 93 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1jje s ILE 94 N -3.32 4.15 0.26 0.44 1.01 -0.66 -5.05 121.20 118.04 1jje s ILE 94 Ca 0.61 -0.55 -0.31 0.00 0.00 0.00 0.00 60.65 60.40 1jje s ILE 94 Cb -0.28 -3.10 -0.11 0.00 0.01 0.00 0.00 42.46 38.98 1jje s ILE 94 CO 0.76 0.12 1.63 -2.84 0.00 0.00 0.00 174.94 174.61 1jje s PRO 95 N 1.54 4.13 -0.06 2.79 0.02 -1.26 -4.30 135.00 137.87 1jje s PRO 95 Ca 0.04 2.56 0.04 0.00 0.02 0.00 0.00 61.00 63.66 1jje s PRO 95 Cb -0.17 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.28 1jje s PRO 95 CO 0.03 -0.66 -0.17 0.95 -0.33 0.00 0.00 177.00 176.83 1jje s THR 96 N 0.43 2.84 0.12 0.99 -4.23 -1.26 -1.27 115.64 113.26 1jje s THR 96 Ca 0.67 -0.80 0.09 0.00 -1.18 0.00 0.00 61.69 60.47 1jje s THR 96 Cb -0.48 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 1jje s THR 96 CO 0.42 0.58 -0.22 -0.31 -0.54 0.00 0.00 174.62 174.55 1jje s TYR 97 N -0.51 1.92 0.11 3.99 1.51 0.36 -1.13 117.35 123.60 1jje s TYR 97 Ca 0.07 -0.42 -0.25 0.00 -1.01 0.00 0.00 57.07 55.46 1jje s TYR 97 Cb -0.12 -1.02 0.07 0.00 -0.11 0.00 0.00 41.96 40.78 1jje s TYR 97 CO 0.01 0.27 0.63 0.00 -1.11 0.00 0.00 175.55 175.35 1jje s ALA 98 N -1.32 -1.64 1.01 3.71 0.00 -0.84 -2.12 121.76 120.55 1jje s ALA 98 Ca 0.10 0.67 -0.14 0.00 0.00 0.00 0.00 51.96 52.59 1jje s ALA 98 Cb -0.09 0.69 0.19 0.00 0.00 0.00 0.00 23.12 23.92 1jje s ALA 98 CO 0.05 -0.69 1.14 -1.54 0.00 0.00 0.00 175.76 174.72 1jje s SER 99 N -2.44 2.63 0.08 0.00 1.04 -1.26 -2.04 113.70 111.71 1jje s SER 99 Ca -0.01 0.87 -0.31 0.00 0.48 0.00 0.00 55.95 56.97 1jje s SER 99 Cb -0.01 -1.33 -0.16 0.00 0.10 0.00 0.00 66.02 64.62 1jje s SER 99 CO -0.09 -3.09 1.63 -0.08 0.98 0.00 0.00 173.24 172.60 1jje h GLU 100 N -1.87 -0.72 -0.83 4.02 4.81 -0.99 -1.98 114.58 117.03 1jje h GLU 100 Ca -0.50 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.80 1jje h GLU 100 Cb 1.31 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.81 1jje h GLU 100 CO 0.52 -0.48 0.54 1.25 -0.73 0.00 0.00 179.01 180.11 1jje h LEU 101 N -0.74 0.91 -0.66 1.64 5.85 -1.93 -0.77 115.31 119.61 1jje h LEU 101 Ca -0.06 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1jje h LEU 101 Cb 0.61 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1jje h LEU 101 CO 0.06 0.64 0.43 0.74 -0.34 0.00 0.00 178.44 179.97 1jje h THR 102 N 1.07 1.14 -0.36 1.05 2.02 -1.84 0.81 112.91 116.80 1jje h THR 102 Ca 0.32 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 1jje h THR 102 Cb -0.06 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 1jje h THR 102 CO -0.09 0.16 -0.02 0.78 0.37 0.00 0.00 175.52 176.72 1jje h ASN 103 N 0.86 0.55 -0.19 4.18 2.35 -0.83 -1.59 115.58 120.92 1jje h ASN 103 Ca 0.25 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1jje h ASN 103 Cb -0.06 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1jje h ASN 103 CO -0.07 0.63 0.12 -0.08 -1.65 0.00 0.00 177.43 176.38 1jje h GLU 104 N 0.55 0.25 0.00 0.81 4.81 0.01 -2.47 114.58 118.54 1jje h GLU 104 Ca 0.11 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1jje h GLU 104 Cb 0.38 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1jje h GLU 104 CO 0.02 0.17 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.13 1jje h LEU 105 N 0.25 0.00 -0.04 1.64 3.38 -0.44 -3.01 115.31 117.08 1jje h LEU 105 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1jje h LEU 105 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1jje h LEU 105 CO -0.01 0.26 -0.01 -0.07 0.09 0.00 0.00 178.44 178.70 1jje h LEU 106 N 0.00 0.09 0.16 1.67 3.38 -0.89 -2.23 115.31 117.49 1jje h LEU 106 Ca -0.00 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.60 1jje h LEU 106 Cb 0.78 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1jje h LEU 106 CO 0.03 0.44 -0.48 0.50 0.09 0.00 0.00 178.44 179.03 1jje h LYS 107 N -0.27 -0.69 -0.88 1.13 3.64 -1.40 1.44 116.57 119.54 1jje h LYS 107 Ca 0.01 0.05 0.18 0.00 -1.27 0.00 0.00 60.65 59.62 1jje h LYS 107 Cb 0.40 0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.32 1jje h LYS 107 CO 0.00 -0.46 0.58 -0.22 -2.27 0.00 0.00 179.45 177.08 1jje h LYS 108 N -0.72 0.45 -0.83 1.90 3.64 -1.60 0.76 116.57 120.17 1jje h LYS 108 Ca -0.01 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1jje h LYS 108 Cb 0.71 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1jje h LYS 108 CO -0.24 0.30 0.02 -3.47 -2.27 0.00 0.00 179.45 173.79 1jje n ASP 109 N -4.52 3.06 -2.67 4.20 2.03 -0.84 -4.88 116.55 112.93 1jje n ASP 109 Ca 0.18 -2.42 -0.22 0.00 0.52 0.00 0.00 54.79 52.86 1jje n ASP 109 Cb 0.63 -0.58 0.01 0.00 -0.72 0.00 0.00 41.12 40.46 1jje n ASP 109 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jje n GLY 110 N 0.24 -0.51 3.77 0.27 0.00 0.27 -4.99 105.19 104.24 1jje n GLY 110 Ca 0.13 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1jje n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jje s LYS 111 N -5.34 2.50 0.42 1.61 -0.14 0.49 -4.96 119.74 114.33 1jje s LYS 111 Ca 0.13 -1.44 -0.25 0.00 -1.36 0.00 0.00 55.97 53.06 1jje s LYS 111 Cb -0.06 -2.29 -0.08 0.00 -1.68 0.00 0.00 37.83 33.72 1jje s LYS 111 CO 0.16 0.13 1.19 0.08 -0.76 0.00 0.00 175.35 176.15 1jje s VAL 112 N -2.37 3.06 0.24 3.17 1.01 -1.26 -3.82 120.40 120.43 1jje s VAL 112 Ca 0.38 0.87 0.07 0.00 0.00 0.00 0.00 61.98 63.30 1jje s VAL 112 Cb -0.04 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1jje s VAL 112 CO 0.24 0.06 0.18 -1.10 0.00 0.00 0.00 175.10 174.48 1jje s GLN 113 N -2.42 2.91 0.71 2.72 -0.21 -1.26 -4.81 119.66 117.30 1jje s GLN 113 Ca 0.59 -1.03 -0.11 0.00 0.02 0.00 0.00 55.36 54.83 1jje s GLN 113 Cb -0.31 -2.57 0.02 0.00 1.00 0.00 0.00 33.01 31.15 1jje s GLN 113 CO 0.39 0.41 1.07 0.00 -2.12 0.00 0.00 175.29 175.04 1jje s ALA 114 N -2.07 2.55 -0.38 6.09 0.00 -1.26 -4.90 121.76 121.79 1jje s ALA 114 Ca 0.32 0.17 0.23 0.00 0.00 0.00 0.00 51.96 52.68 1jje s ALA 114 Cb -0.08 -3.21 0.39 0.00 0.00 0.00 0.00 23.12 20.22 1jje s ALA 114 CO 0.25 -1.37 1.62 1.79 0.00 0.00 0.00 175.76 178.05 1jje h THR 115 N -0.77 0.08 -4.02 0.00 1.35 -1.90 -3.44 112.91 104.20 1jje h THR 115 Ca -0.44 -1.07 -0.49 0.00 -0.55 0.00 0.00 66.41 63.86 1jje h THR 115 Cb 1.22 2.00 -0.30 0.00 -1.73 0.00 0.00 68.15 69.34 1jje h THR 115 CO 0.55 0.04 -0.81 0.20 -0.25 0.00 0.00 175.52 175.25 1jje s ASN 116 N -6.20 1.69 0.19 5.36 0.01 -0.28 -4.97 114.94 110.74 1jje s ASN 116 Ca 0.06 -0.27 0.04 0.00 -0.71 0.00 0.00 52.86 51.99 1jje s ASN 116 Cb 0.06 -0.34 -0.05 0.00 0.41 0.00 0.00 41.25 41.33 1jje s ASN 116 CO 0.67 0.14 -0.04 -0.94 -1.51 0.00 0.00 177.10 175.41 1jje s SER 117 N -0.09 1.76 0.16 -1.22 1.04 -1.26 -1.99 113.70 112.10 1jje s SER 117 Ca 0.01 -1.13 0.06 0.00 0.48 0.00 0.00 55.95 55.37 1jje s SER 117 Cb -0.08 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 1jje s SER 117 CO 0.00 -0.44 -0.13 0.72 0.98 0.00 0.00 173.24 174.37 1jje s PHE 118 N -3.40 1.48 0.44 5.02 -0.71 -0.87 -4.92 117.98 115.02 1jje s PHE 118 Ca 0.23 -0.62 0.05 0.00 -1.04 0.00 0.00 56.93 55.55 1jje s PHE 118 Cb 0.04 -0.73 -0.06 0.00 -1.21 0.00 0.00 43.02 41.06 1jje s PHE 118 CO 0.05 0.21 0.01 -1.54 -1.34 0.00 0.00 175.22 172.61 1jje s SER 119 N -2.99 3.97 0.07 1.98 1.04 -1.26 -0.26 113.70 116.25 1jje s SER 119 Ca 0.16 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.14 1jje s SER 119 Cb -0.01 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1jje s SER 119 CO 0.04 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1jje n GLY 120 N -1.07 -1.41 0.85 7.32 0.00 -1.26 -4.55 105.19 105.07 1jje n GLY 120 Ca -0.09 -1.46 0.11 0.00 0.00 0.00 0.00 46.02 44.58 1jje n GLY 120 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1jje n VAL 121 N -1.68 0.00 -3.57 1.61 0.31 -1.26 -4.91 118.33 108.82 1jje n VAL 121 Ca 0.00 -0.46 -0.15 0.00 -0.01 0.00 0.00 64.34 63.73 1jje n VAL 121 Cb 0.14 1.44 -0.06 0.00 -0.91 0.00 0.00 33.84 34.44 1jje n VAL 121 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1jje s ASN 122 N -2.03 -0.63 -0.16 4.52 4.22 -1.26 -0.14 114.94 119.46 1jje s ASN 122 Ca 0.25 0.93 -0.13 0.00 -2.14 0.00 0.00 52.86 51.78 1jje s ASN 122 Cb 0.19 0.85 0.05 0.00 1.28 0.00 0.00 41.25 43.61 1jje s ASN 122 CO 0.34 -0.42 0.41 -0.47 -2.04 0.00 0.00 177.10 174.92 1jje s TYR 123 N -0.53 -0.49 -0.52 1.54 5.04 0.09 -4.95 117.35 117.52 1jje s TYR 123 Ca -0.05 1.15 -0.19 0.00 -2.44 0.00 0.00 57.07 55.53 1jje s TYR 123 Cb -0.02 0.19 0.06 0.00 0.35 0.00 0.00 41.96 42.54 1jje s TYR 123 CO 0.05 -0.25 0.64 -1.58 -1.34 0.00 0.00 175.55 173.06 1jje s TRP 124 N 0.59 3.04 0.20 4.97 0.52 -1.26 0.77 118.94 127.76 1jje s TRP 124 Ca -0.03 -0.57 -0.06 0.00 0.02 0.00 0.00 56.10 55.46 1jje s TRP 124 Cb -0.05 -3.60 0.15 0.00 -1.15 0.00 0.00 33.47 28.82 1jje s TRP 124 CO -0.04 -1.07 1.65 1.25 0.02 0.00 0.00 176.95 178.76 1jje h LEU 125 N 9.77 0.91 -7.42 2.99 5.85 -0.64 -3.38 115.31 123.39 1jje h LEU 125 Ca -0.28 -0.29 -0.53 0.00 0.84 0.00 0.00 57.88 57.62 1jje h LEU 125 Cb 1.09 -0.25 -0.39 0.00 0.37 0.00 0.00 40.66 41.49 1jje h LEU 125 CO 0.98 1.03 -0.77 -0.69 -0.34 0.00 0.00 178.44 178.65 1jje s VAL 126 N -4.84 0.79 0.08 1.05 1.01 -1.02 -4.97 120.40 112.50 1jje s VAL 126 Ca -0.10 -0.62 -0.36 0.00 0.00 0.00 0.00 61.98 60.90 1jje s VAL 126 Cb 0.13 -1.16 -0.15 0.00 0.00 0.00 0.00 36.38 35.20 1jje s VAL 126 CO 0.84 -0.08 1.50 0.29 0.00 0.00 0.00 175.10 177.65 1jje n LYS 127 N 4.96 1.61 -1.39 2.72 5.02 -1.26 -0.48 118.16 129.34 1jje n LYS 127 Ca -0.10 0.58 -0.13 0.00 -2.02 0.00 0.00 58.31 56.64 1jje n LYS 127 Cb 0.47 -2.29 -0.06 0.00 -0.02 0.00 0.00 35.03 33.13 1jje n LYS 127 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jje n ASN 128 N 3.33 -5.24 0.00 4.39 3.02 -1.26 -4.72 115.26 114.77 1jje n ASN 128 Ca 0.19 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 1jje n ASN 128 Cb 0.23 -3.93 0.00 0.00 -0.61 0.00 0.00 39.78 35.47 1jje n ASN 128 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jje n LYS 129 N -1.77 0.26 -3.63 3.52 5.02 0.37 -4.74 118.16 117.18 1jje n LYS 129 Ca -0.13 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.87 1jje n LYS 129 Cb 0.55 -0.64 -0.16 0.00 -0.02 0.00 0.00 35.03 34.76 1jje n LYS 129 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1jje s ILE 130 N -1.28 0.26 -0.11 -0.18 1.01 0.01 -4.02 121.20 116.89 1jje s ILE 130 Ca 0.00 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 1jje s ILE 130 Cb 0.00 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 1jje s ILE 130 CO 0.00 -0.55 0.07 -0.70 0.00 0.00 0.00 174.94 173.76 1jje s GLU 131 N 1.95 3.28 -0.15 2.79 2.12 -0.39 0.16 118.70 128.45 1jje s GLU 131 Ca 0.06 -0.27 -0.06 0.00 0.36 0.00 0.00 54.97 55.07 1jje s GLU 131 Cb -0.16 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 1jje s GLU 131 CO -0.24 0.71 0.04 0.08 -0.54 0.00 0.00 175.26 175.31 1jje s VAL 132 N -0.87 4.60 -0.03 3.70 1.01 0.23 -0.22 120.40 128.82 1jje s VAL 132 Ca 0.13 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1jje s VAL 132 Cb -0.12 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.25 1jje s VAL 132 CO 0.03 0.51 -0.03 0.12 0.00 0.00 0.00 175.10 175.72 1jje s PHE 133 N 0.03 0.52 -0.41 5.22 5.36 -0.62 -0.74 117.98 127.34 1jje s PHE 133 Ca 0.04 -0.10 -0.16 0.00 -0.96 0.00 0.00 56.93 55.75 1jje s PHE 133 Cb -0.12 -0.47 0.02 0.00 -0.34 0.00 0.00 43.02 42.11 1jje s PHE 133 CO 0.01 -0.11 0.37 -0.47 -1.46 0.00 0.00 175.22 173.56 1jje s TYR 134 N 0.61 3.20 -1.29 10.12 5.04 0.80 -1.11 117.35 134.72 1jje s TYR 134 Ca -0.07 -0.43 0.27 0.00 -2.44 0.00 0.00 57.07 54.40 1jje s TYR 134 Cb -0.10 -2.75 0.85 0.00 0.35 0.00 0.00 41.96 40.31 1jje s TYR 134 CO -0.00 -0.63 1.64 -0.35 -1.34 0.00 0.00 175.55 174.86 1jje n PRO 135 N 5.40 0.31 0.00 4.97 -0.04 -1.26 -4.92 135.00 139.46 1jje n PRO 135 Ca -0.09 -0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1jje n PRO 135 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1jje n PRO 135 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jje n GLY 136 N 1.42 2.56 3.75 0.55 0.00 -1.26 -4.38 105.19 107.82 1jje n GLY 136 Ca 0.09 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 1jje n GLY 136 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1jje s PRO 137 N -2.25 2.79 0.00 1.61 0.02 -1.26 -4.68 135.00 131.23 1jje s PRO 137 Ca 0.00 1.87 0.00 0.00 0.02 0.00 0.00 61.00 62.89 1jje s PRO 137 Cb 0.00 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1jje s PRO 137 CO 0.00 -1.36 0.00 0.41 -0.33 0.00 0.00 177.00 175.72 1jje n GLY 138 N 0.57 -1.03 0.30 0.52 0.00 -1.26 -3.71 105.19 100.58 1jje n GLY 138 Ca 0.14 0.59 0.05 0.00 0.00 0.00 0.00 46.02 46.80 1jje n GLY 138 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1jje h HIS 139 N 0.00 0.79 -4.06 1.61 -0.00 -1.88 0.18 115.15 111.79 1jje h HIS 139 Ca 0.00 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.27 1jje h HIS 139 Cb 0.00 -0.23 -0.12 0.00 -0.00 0.00 0.00 27.41 27.06 1jje h HIS 139 CO 0.00 0.25 -0.36 0.95 -0.00 0.00 0.00 177.93 178.77 1jje s THR 140 N -6.00 0.02 0.37 6.26 -4.23 -1.26 -2.04 115.64 108.77 1jje s THR 140 Ca -0.12 -1.63 0.09 0.00 -1.18 0.00 0.00 61.69 58.85 1jje s THR 140 Cb 0.20 -2.21 0.14 0.00 1.34 0.00 0.00 72.50 71.97 1jje s THR 140 CO 0.78 -0.09 1.87 -0.65 -0.54 0.00 0.00 174.62 175.99 1jje h PRO 141 N 2.47 0.24 -0.22 3.99 0.11 -1.86 -3.25 132.00 133.48 1jje h PRO 141 Ca -0.31 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1jje h PRO 141 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1jje h PRO 141 CO 0.45 0.42 0.00 -0.40 -0.21 0.00 0.00 178.00 178.27 1jje n ASP 142 N -4.23 2.97 -4.74 -2.05 5.75 -1.26 -4.19 116.55 108.80 1jje n ASP 142 Ca -0.01 -1.93 -0.42 0.00 -0.01 0.00 0.00 54.79 52.43 1jje n ASP 142 Cb 0.31 -0.13 -0.02 0.00 -1.03 0.00 0.00 41.12 40.24 1jje n ASP 142 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1jje s ASN 143 N -1.70 6.46 0.21 -1.12 6.03 -1.23 -4.77 114.94 118.83 1jje s ASN 143 Ca 0.34 2.84 0.07 0.00 -1.03 0.00 0.00 52.86 55.08 1jje s ASN 143 Cb 0.21 -2.62 -0.05 0.00 -3.03 0.00 0.00 41.25 35.76 1jje s ASN 143 CO 0.31 -0.86 -0.11 0.68 -2.03 0.00 0.00 177.10 175.08 1jje s VAL 144 N 0.25 1.61 0.39 3.54 -7.23 -0.16 -4.37 120.40 114.43 1jje s VAL 144 Ca 0.64 -2.17 0.08 0.00 -1.81 0.00 0.00 61.98 58.72 1jje s VAL 144 Cb -0.46 -2.12 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 1jje s VAL 144 CO 0.43 -0.54 0.18 0.68 -0.31 0.00 0.00 175.10 175.55 1jje s VAL 145 N -3.05 2.54 -0.11 1.32 -7.23 -0.27 -4.73 120.40 108.87 1jje s VAL 145 Ca 0.24 -1.67 -0.01 0.00 -1.81 0.00 0.00 61.98 58.73 1jje s VAL 145 Cb 0.01 -2.98 0.03 0.00 0.56 0.00 0.00 36.38 33.99 1jje s VAL 145 CO 0.07 -0.06 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.05 1jje s VAL 146 N -2.54 0.91 -0.14 1.32 1.01 -0.62 -1.59 120.40 118.75 1jje s VAL 146 Ca 0.41 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 1jje s VAL 146 Cb 0.01 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1jje s VAL 146 CO 0.23 0.35 0.03 0.86 0.00 0.00 0.00 175.10 176.57 1jje s TRP 147 N 1.75 3.21 -0.74 5.22 -0.00 0.69 -0.44 118.94 128.63 1jje s TRP 147 Ca 0.05 0.08 -0.04 0.00 -0.00 0.00 0.00 56.10 56.19 1jje s TRP 147 Cb -0.13 -1.96 0.19 0.00 -0.00 0.00 0.00 33.47 31.57 1jje s TRP 147 CO -0.08 0.26 0.59 -0.51 -0.00 0.00 0.00 176.95 177.22 1jje s LEU 148 N -0.12 5.53 0.43 5.86 1.43 -0.55 -1.26 118.68 130.00 1jje s LEU 148 Ca 0.06 -3.11 0.10 0.00 -1.03 0.00 0.00 54.13 50.15 1jje s LEU 148 Cb -0.12 -1.92 0.95 0.00 0.03 0.00 0.00 46.19 45.13 1jje s LEU 148 CO 0.02 -0.34 2.03 1.55 0.23 0.00 0.00 176.35 179.84 1jje h PRO 149 N 6.80 0.28 -0.01 1.29 0.13 -1.86 -0.45 132.00 138.17 1jje h PRO 149 Ca 0.06 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.10 1jje h PRO 149 Cb 0.92 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 1jje h PRO 149 CO 0.76 0.26 -0.24 0.93 -0.23 0.00 0.00 178.00 179.48 1jje h GLU 150 N 0.28 0.01 -0.01 0.86 5.08 -1.85 -3.13 114.58 115.83 1jje h GLU 150 Ca 0.07 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1jje h GLU 150 Cb 0.11 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1jje h GLU 150 CO -0.00 0.26 -0.33 0.54 -1.00 0.00 0.00 179.01 178.48 1jje n ARG 151 N -4.25 1.99 -3.78 2.33 5.12 -0.86 -5.01 116.66 112.21 1jje n ARG 151 Ca -0.02 -0.61 -0.24 0.00 -1.93 0.00 0.00 57.85 55.05 1jje n ARG 151 Cb 0.30 -1.18 0.03 0.00 -1.16 0.00 0.00 32.46 30.45 1jje n ARG 151 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1jje n LYS 152 N -0.35 -5.01 -4.37 5.56 5.02 -0.24 -4.74 118.16 114.05 1jje n LYS 152 Ca 0.05 0.60 -0.34 0.00 -2.02 0.00 0.00 58.31 56.61 1jje n LYS 152 Cb 0.27 -5.23 -0.15 0.00 -0.02 0.00 0.00 35.03 29.90 1jje n LYS 152 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1jje s ILE 153 N -3.58 2.96 -0.24 -0.18 1.01 -1.18 -0.33 121.20 119.67 1jje s ILE 153 Ca 0.19 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 60.11 1jje s ILE 153 Cb -0.10 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.06 1jje s ILE 153 CO 0.82 0.49 0.06 -0.22 0.00 0.00 0.00 174.94 176.09 1jje s LEU 154 N 0.92 3.42 -0.40 2.97 2.96 -0.36 -1.48 118.68 126.71 1jje s LEU 154 Ca -0.02 -0.20 -0.23 0.00 -0.22 0.00 0.00 54.13 53.45 1jje s LEU 154 Cb -0.15 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.65 1jje s LEU 154 CO -0.01 -0.02 0.79 0.12 -1.32 0.00 0.00 176.35 175.92 1jje s PHE 155 N 1.50 3.06 -0.58 5.38 5.36 0.41 -0.41 117.98 132.71 1jje s PHE 155 Ca 0.06 0.41 0.24 0.00 -0.96 0.00 0.00 56.93 56.68 1jje s PHE 155 Cb -0.15 -3.53 0.21 0.00 -0.34 0.00 0.00 43.02 39.22 1jje s PHE 155 CO 0.03 -0.84 1.20 0.41 -1.46 0.00 0.00 175.22 174.56 1jje n GLY 156 N 4.71 -1.36 7.00 13.12 0.00 -0.21 -1.59 105.19 126.85 1jje n GLY 156 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1jje n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jje n GLY 157 N 1.32 0.95 0.35 -0.02 0.00 -1.23 -2.97 105.19 103.60 1jje n GLY 157 Ca 0.02 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.48 1jje n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jje h PHE 159 N 1.49 0.26 -3.59 0.00 3.04 -1.91 -3.42 116.94 112.81 1jje h PHE 159 Ca 0.00 -0.11 -0.61 0.00 3.98 0.00 0.00 57.97 61.23 1jje h PHE 159 Cb 0.32 -0.04 -0.11 0.00 2.56 0.00 0.00 35.95 38.68 1jje h PHE 159 CO 0.05 0.81 0.49 0.42 -2.02 0.00 0.00 178.31 178.06 1jje s ILE 160 N -3.60 4.59 -0.40 1.41 -1.09 -1.16 -4.89 121.20 116.06 1jje s ILE 160 Ca -0.03 0.80 0.06 0.00 -2.23 0.00 0.00 60.65 59.24 1jje s ILE 160 Cb 0.12 -4.34 0.20 0.00 -1.58 0.00 0.00 42.46 36.86 1jje s ILE 160 CO 0.80 -0.66 0.42 0.29 -1.23 0.00 0.00 174.94 174.56 1jje n LYS 161 N 6.83 0.41 0.16 2.79 4.76 -1.26 -4.49 118.16 127.35 1jje n LYS 161 Ca 0.05 -3.20 0.13 0.00 -2.87 0.00 0.00 58.31 52.42 1jje n LYS 161 Cb 0.48 -1.49 0.44 0.00 -1.84 0.00 0.00 35.03 32.63 1jje n LYS 161 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1jje h PRO 162 N 4.97 0.00 0.00 1.97 0.13 -1.85 -3.28 132.00 133.94 1jje h PRO 162 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1jje h PRO 162 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1jje h PRO 162 CO 0.41 0.00 -0.01 0.66 -0.23 0.00 0.00 178.00 178.83 1jje n TYR 163 N -2.51 0.00 0.00 1.56 4.01 -1.26 -4.74 117.16 114.22 1jje n TYR 163 Ca 0.03 -0.62 0.00 0.00 -0.16 0.00 0.00 57.90 57.15 1jje n TYR 163 Cb 0.36 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1jje n TYR 163 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jje n GLY 164 N -0.76 4.71 0.12 2.72 0.00 -1.24 -5.01 105.19 105.73 1jje n GLY 164 Ca 0.05 -1.21 0.13 0.00 0.00 0.00 0.00 46.02 44.99 1jje n GLY 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jje h LEU 165 N 0.00 0.00 0.00 0.99 3.38 -1.92 -3.44 115.31 114.33 1jje h LEU 165 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1jje h LEU 165 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jje h LEU 165 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1jje n GLY 166 N 1.28 0.19 3.61 0.83 0.00 -1.26 -4.77 105.19 105.06 1jje n GLY 166 Ca 0.05 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1jje n GLY 166 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jje s ASN 167 N -4.00 6.32 0.00 1.61 2.47 -1.26 -4.89 114.94 115.19 1jje s ASN 167 Ca 0.00 1.10 0.21 0.00 0.42 0.00 0.00 52.86 54.59 1jje s ASN 167 Cb 0.00 -2.54 0.55 0.00 -1.45 0.00 0.00 41.25 37.81 1jje s ASN 167 CO 0.00 -1.40 1.45 0.18 -3.72 0.00 0.00 177.10 173.61 1jje n LEU 168 N 8.83 2.69 -0.34 3.21 4.77 -1.26 -4.51 117.00 130.40 1jje n LEU 168 Ca 0.18 -1.17 0.20 0.00 -0.03 0.00 0.00 56.01 55.19 1jje n LEU 168 Cb 0.47 -0.20 0.44 0.00 -2.33 0.00 0.00 43.42 41.80 1jje n LEU 168 CO 0.68 0.58 1.19 1.23 -1.33 0.00 0.00 177.39 179.74 1jje h GLY 169 N 4.77 1.61 -0.30 -0.72 0.00 -1.90 -2.70 103.07 103.82 1jje h GLY 169 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1jje h GLY 169 CO 0.00 -0.21 -0.15 1.22 0.00 0.00 0.00 176.54 177.40 1jje n ASP 170 N -4.78 1.34 -4.80 0.19 8.00 -1.26 -5.08 116.55 110.17 1jje n ASP 170 Ca 0.27 -2.37 -0.34 0.00 0.71 0.00 0.00 54.79 53.06 1jje n ASP 170 Cb 0.82 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.65 1jje n ASP 170 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jje s ALA 171 N -1.42 2.84 -0.73 2.24 0.00 -0.86 -3.92 121.76 119.91 1jje s ALA 171 Ca 0.14 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.69 1jje s ALA 171 Cb 0.12 -3.26 0.18 0.00 0.00 0.00 0.00 23.12 20.17 1jje s ALA 171 CO 0.01 -0.40 0.57 1.21 0.00 0.00 0.00 175.76 177.15 1jje s ASN 172 N -2.05 5.44 0.27 0.00 3.84 0.64 -4.95 114.94 118.13 1jje s ASN 172 Ca 0.67 -3.30 -0.00 0.00 0.21 0.00 0.00 52.86 50.44 1jje s ASN 172 Cb -0.17 -1.84 0.49 0.00 -0.55 0.00 0.00 41.25 39.17 1jje s ASN 172 CO 0.22 -0.26 1.85 0.40 -2.79 0.00 0.00 177.10 176.52 1jje h ILE 173 N 4.73 0.99 -0.30 -5.21 1.08 -1.95 -0.51 117.51 116.33 1jje h ILE 173 Ca 0.07 -0.36 -0.10 0.00 -0.39 0.00 0.00 64.86 64.07 1jje h ILE 173 Cb 0.88 -0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 1jje h ILE 173 CO 0.76 0.19 -0.20 -0.08 -0.69 0.00 0.00 178.15 178.13 1jje h GLU 174 N 1.06 0.67 0.00 2.37 4.57 -1.95 -3.19 114.58 118.11 1jje h GLU 174 Ca 0.47 -0.32 -0.05 0.00 -1.18 0.00 0.00 59.36 58.28 1jje h GLU 174 Cb 0.35 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1jje h GLU 174 CO -0.23 0.92 -0.25 0.00 -1.18 0.00 0.00 179.01 178.27 1jje h ALA 175 N 0.74 0.88 -0.94 2.92 0.00 -1.76 -3.37 119.26 117.73 1jje h ALA 175 Ca 0.06 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1jje h ALA 175 Cb 0.75 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1jje h ALA 175 CO 0.06 0.31 0.61 2.35 0.00 0.00 0.00 179.25 182.58 1jje h TRP 176 N 0.00 1.16 -0.09 0.00 2.91 -1.09 -2.22 115.95 116.62 1jje h TRP 176 Ca -0.00 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.01 1jje h TRP 176 Cb 1.04 -0.39 -0.01 0.00 -0.51 0.00 0.00 29.16 29.30 1jje h TRP 176 CO 0.00 0.69 -0.13 -1.35 -1.03 0.00 0.00 178.44 176.62 1jje h PRO 177 N 1.22 0.13 -0.03 2.65 0.11 -1.77 -1.28 132.00 133.03 1jje h PRO 177 Ca 0.36 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.40 1jje h PRO 177 Cb -0.06 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1jje h PRO 177 CO -0.10 0.27 -0.14 0.87 -0.21 0.00 0.00 178.00 178.69 1jje h LYS 178 N 0.13 0.15 -0.77 1.05 1.57 -1.67 -1.58 116.57 115.44 1jje h LYS 178 Ca 0.03 -0.12 0.18 0.00 -1.87 0.00 0.00 60.65 58.86 1jje h LYS 178 Cb 0.32 0.02 -0.12 0.00 0.08 0.00 0.00 32.23 32.53 1jje h LYS 178 CO 0.02 0.78 0.17 0.77 -0.57 0.00 0.00 179.45 180.62 1jje h SER 179 N -0.44 -0.03 -0.13 0.86 0.02 -1.27 0.29 113.55 112.85 1jje h SER 179 Ca -0.01 0.16 -0.11 0.00 -0.84 0.00 0.00 61.79 60.99 1jje h SER 179 Cb 0.80 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 1jje h SER 179 CO 0.03 -0.08 -0.29 0.00 -1.14 0.00 0.00 176.83 175.35 1jje h ALA 180 N 1.66 0.94 -0.52 3.77 0.00 -1.20 -1.73 119.26 122.18 1jje h ALA 180 Ca 0.45 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1jje h ALA 180 Cb 0.80 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1jje h ALA 180 CO -0.56 0.61 0.10 -0.22 0.00 0.00 0.00 179.25 179.18 1jje h LYS 181 N 0.52 0.86 -0.61 0.00 3.64 0.06 -1.66 116.57 119.38 1jje h LYS 181 Ca 0.07 -0.22 -0.09 0.00 -1.27 0.00 0.00 60.65 59.13 1jje h LYS 181 Cb 0.77 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 1jje h LYS 181 CO 0.06 0.83 0.02 1.25 -2.27 0.00 0.00 179.45 179.35 1jje h LEU 182 N 0.74 1.03 -0.90 5.20 5.85 -1.21 -2.15 115.31 123.87 1jje h LEU 182 Ca 0.16 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1jje h LEU 182 Cb 0.38 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1jje h LEU 182 CO 0.01 1.08 0.50 0.25 -0.34 0.00 0.00 178.44 179.93 1jje h LEU 183 N 0.96 1.12 -1.32 2.25 5.85 -1.06 -1.47 115.31 121.65 1jje h LEU 183 Ca 0.18 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1jje h LEU 183 Cb 0.53 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1jje h LEU 183 CO 0.03 0.90 0.02 0.50 -0.34 0.00 0.00 178.44 179.55 1jje h LYS 184 N 1.26 0.48 0.13 1.25 3.64 -1.08 -0.71 116.57 121.54 1jje h LYS 184 Ca 0.32 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1jje h LYS 184 Cb 0.02 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1jje h LYS 184 CO -0.05 0.49 -0.06 0.77 -2.27 0.00 0.00 179.45 178.32 1jje h SER 185 N 0.46 -0.15 0.28 4.20 0.02 -0.64 -2.18 113.55 115.54 1jje h SER 185 Ca 0.10 -0.35 -0.08 0.00 -0.84 0.00 0.00 61.79 60.62 1jje h SER 185 Cb 0.27 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1jje h SER 185 CO 0.01 0.31 -0.33 0.50 -1.14 0.00 0.00 176.83 176.17 1jje h LYS 186 N -0.65 0.08 0.00 3.45 3.64 -1.18 -3.26 116.57 118.65 1jje h LYS 186 Ca -0.02 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1jje h LYS 186 Cb 0.49 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 1jje h LYS 186 CO 0.03 0.41 -0.41 0.66 -2.27 0.00 0.00 179.45 177.87 1jje n TYR 187 N -4.12 0.00 -0.16 1.91 4.01 -0.29 -4.75 117.16 113.76 1jje n TYR 187 Ca -0.02 -1.16 0.28 0.00 -0.16 0.00 0.00 57.90 56.84 1jje n TYR 187 Cb 0.39 -0.20 0.72 0.00 -0.31 0.00 0.00 39.34 39.95 1jje n TYR 187 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1jje h GLY 188 N 0.65 0.00 -1.01 2.72 0.00 -1.44 -1.48 103.07 102.50 1jje h GLY 188 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1jje h GLY 188 CO 0.01 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.13 1jje n LYS 189 N -4.21 1.78 -1.70 4.80 2.85 -1.26 -4.85 118.16 115.57 1jje n LYS 189 Ca 0.18 -1.19 -0.41 0.00 -1.05 0.00 0.00 58.31 55.84 1jje n LYS 189 Cb 0.94 -1.36 0.02 0.00 -0.65 0.00 0.00 35.03 33.98 1jje n LYS 189 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jje n ALA 190 N 0.42 1.22 0.02 0.58 0.00 -0.56 -4.92 120.51 117.28 1jje n ALA 190 Ca 0.15 0.24 -0.07 0.00 0.00 0.00 0.00 53.44 53.76 1jje n ALA 190 Cb 0.33 -2.26 -0.12 0.00 0.00 0.00 0.00 19.45 17.40 1jje n ALA 190 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1jje h LYS 191 N 1.95 0.00 -3.66 0.00 1.57 -0.97 -3.36 116.57 112.10 1jje h LYS 191 Ca -0.48 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.10 1jje h LYS 191 Cb 1.30 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.35 1jje h LYS 191 CO 0.59 0.68 -0.65 -0.51 -0.57 0.00 0.00 179.45 178.99 1jje s LEU 192 N -6.33 1.85 -0.13 2.94 1.43 -1.08 -4.48 118.68 112.88 1jje s LEU 192 Ca -0.02 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1jje s LEU 192 Cb 0.09 0.20 0.01 0.00 0.03 0.00 0.00 46.19 46.52 1jje s LEU 192 CO 0.82 -0.09 -0.20 -0.69 0.23 0.00 0.00 176.35 176.42 1jje s VAL 193 N -0.30 1.90 -0.42 -1.59 1.01 -0.59 -1.22 120.40 119.19 1jje s VAL 193 Ca -0.04 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 1jje s VAL 193 Cb -0.02 -1.69 0.08 0.00 0.00 0.00 0.00 36.38 34.74 1jje s VAL 193 CO 0.00 0.52 0.27 -0.69 0.00 0.00 0.00 175.10 175.20 1jje s VAL 194 N 0.86 4.27 0.70 2.92 1.01 0.46 -2.33 120.40 128.29 1jje s VAL 194 Ca -0.07 -1.39 -0.11 0.00 0.00 0.00 0.00 61.98 60.41 1jje s VAL 194 Cb -0.15 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1jje s VAL 194 CO -0.02 -0.51 1.08 -2.84 0.00 0.00 0.00 175.10 172.80 1jje s PRO 195 N 1.43 2.91 0.08 2.72 0.02 -1.26 -1.05 135.00 139.86 1jje s PRO 195 Ca 0.03 0.62 -0.16 0.00 0.02 0.00 0.00 61.00 61.52 1jje s PRO 195 Cb -0.23 -2.01 -0.11 0.00 0.02 0.00 0.00 34.50 32.17 1jje s PRO 195 CO 0.02 -1.03 1.37 0.77 -0.33 0.00 0.00 177.00 177.81 1jje h SER 196 N -0.66 0.71 0.00 2.53 0.02 -1.50 -3.40 113.55 111.25 1jje h SER 196 Ca -0.45 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 59.99 1jje h SER 196 Cb 1.24 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1jje h SER 196 CO 0.62 1.08 -0.07 1.41 -1.14 0.00 0.00 176.83 178.73 1jje n HIS 197 N -4.26 0.00 -3.97 3.45 8.25 -1.26 0.11 115.22 117.53 1jje n HIS 197 Ca -0.05 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.23 1jje n HIS 197 Cb 0.50 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.60 1jje n HIS 197 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1jje n SER 198 N -1.04 2.37 -4.94 0.41 3.41 -1.26 -4.89 113.62 107.68 1jje n SER 198 Ca 0.00 -2.30 -0.24 0.00 -0.26 0.00 0.00 58.87 56.07 1jje n SER 198 Cb 0.01 0.05 0.03 0.00 -0.26 0.00 0.00 64.21 64.04 1jje n SER 198 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1jje s GLU 199 N -3.39 2.80 0.53 4.33 2.56 -1.26 -4.36 118.70 119.91 1jje s GLU 199 Ca 0.14 -0.37 -0.22 0.00 0.00 0.00 0.00 54.97 54.53 1jje s GLU 199 Cb -0.01 -2.40 -0.06 0.00 2.00 0.00 0.00 34.13 33.65 1jje s GLU 199 CO 0.09 -0.62 1.22 1.55 -0.56 0.00 0.00 175.26 176.94 1jje n VAL 200 N -2.40 3.49 -2.72 3.70 3.14 -1.26 -4.61 118.33 117.67 1jje n VAL 200 Ca 0.05 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.93 1jje n VAL 200 Cb 0.58 -1.48 0.00 0.00 -1.06 0.00 0.00 33.84 31.89 1jje n VAL 200 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1jje n GLY 201 N 0.93 4.55 0.00 7.55 0.00 -0.98 -5.00 105.19 112.24 1jje n GLY 201 Ca 0.11 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1jje n GLY 201 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jje n ASP 202 N -0.01 1.02 0.04 1.61 5.68 -1.26 -1.54 116.55 122.09 1jje n ASP 202 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.33 1jje n ASP 202 Cb 0.00 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.18 1jje n ASP 202 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jje n ALA 203 N -3.00 1.18 -0.28 2.12 0.00 -1.26 -1.50 120.51 117.78 1jje n ALA 203 Ca 0.00 0.03 0.15 0.00 0.00 0.00 0.00 53.44 53.62 1jje n ALA 203 Cb 0.00 -1.13 0.41 0.00 0.00 0.00 0.00 19.45 18.73 1jje n ALA 203 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1jje h SER 204 N 0.00 0.59 0.18 0.00 0.02 -1.95 0.59 113.55 112.99 1jje h SER 204 Ca 0.00 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1jje h SER 204 Cb 0.07 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 1jje h SER 204 CO 0.00 0.26 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.87 1jje h LEU 205 N 0.61 0.00 -0.47 5.07 3.38 -1.64 0.57 115.31 122.83 1jje h LEU 205 Ca 0.48 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.28 1jje h LEU 205 Cb 0.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1jje h LEU 205 CO -0.23 0.01 -0.56 -0.07 0.09 0.00 0.00 178.44 177.69 1jje h LEU 206 N 0.00 0.68 -0.13 1.67 3.38 -1.08 -1.97 115.31 117.85 1jje h LEU 206 Ca -0.00 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 1jje h LEU 206 Cb 0.11 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1jje h LEU 206 CO 0.00 1.10 -0.14 0.50 0.09 0.00 0.00 178.44 179.99 1jje h LYS 207 N 0.47 0.33 -0.23 1.13 3.64 -0.96 -2.72 116.57 118.22 1jje h LYS 207 Ca 0.01 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.19 1jje h LYS 207 Cb 1.11 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1jje h LYS 207 CO 0.11 0.73 0.03 -0.07 -2.27 0.00 0.00 179.45 177.98 1jje h LEU 208 N -0.06 0.30 -0.61 5.20 3.38 -1.25 -1.09 115.31 121.18 1jje h LEU 208 Ca 0.02 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1jje h LEU 208 Cb 0.67 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1jje h LEU 208 CO 0.03 0.34 -0.00 0.74 0.09 0.00 0.00 178.44 179.64 1jje h THR 209 N 0.33 1.27 0.25 0.22 2.02 -1.33 -0.95 112.91 114.73 1jje h THR 209 Ca 0.08 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 1jje h THR 209 Cb 0.17 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1jje h THR 209 CO -0.00 0.42 -0.12 0.25 0.37 0.00 0.00 175.52 176.44 1jje h LEU 210 N 0.98 -0.29 -0.92 2.58 5.85 -0.91 -0.40 115.31 122.19 1jje h LEU 210 Ca 0.17 -0.09 0.18 0.00 0.84 0.00 0.00 57.88 58.98 1jje h LEU 210 Cb 0.56 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.56 1jje h LEU 210 CO 0.03 -0.08 0.50 -0.33 -0.34 0.00 0.00 178.44 178.22 1jje h GLU 211 N -0.49 0.62 -0.21 1.25 5.08 -1.23 -0.68 114.58 118.92 1jje h GLU 211 Ca -0.03 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.11 1jje h GLU 211 Cb 0.37 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1jje h GLU 211 CO 0.06 0.41 -0.58 1.96 -1.00 0.00 0.00 179.01 179.86 1jje h GLN 212 N 0.64 0.68 -0.60 2.33 1.08 -0.82 -0.92 115.11 117.50 1jje h GLN 212 Ca 0.53 -0.44 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1jje h GLN 212 Cb 0.83 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.29 1jje h GLN 212 CO -0.40 1.06 0.39 0.00 -0.95 0.00 0.00 178.83 178.93 1jje h ALA 213 N 0.84 0.76 -0.30 3.87 0.00 -0.34 0.89 119.26 124.99 1jje h ALA 213 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1jje h ALA 213 Cb 1.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1jje h ALA 213 CO 0.12 0.21 -0.11 0.28 0.00 0.00 0.00 179.25 179.74 1jje h VAL 214 N 0.81 1.29 -0.89 0.00 2.07 -1.03 0.66 116.25 119.16 1jje h VAL 214 Ca 0.22 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 1jje h VAL 214 Cb -0.08 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1jje h VAL 214 CO -0.05 0.38 0.49 0.50 0.02 0.00 0.00 177.57 178.91 1jje h LYS 215 N 0.36 1.24 0.00 1.57 3.64 -1.02 0.31 116.57 122.67 1jje h LYS 215 Ca 0.07 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1jje h LYS 215 Cb 0.62 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1jje h LYS 215 CO 0.04 0.91 0.00 0.41 -2.27 0.00 0.00 179.45 178.54 1jje n GLY 216 N -1.12 -2.76 0.37 5.01 0.00 0.31 -2.02 105.19 104.97 1jje n GLY 216 Ca 0.09 0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.43 1jje n GLY 216 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jje h LEU 217 N 0.00 0.86 -0.55 0.99 5.85 -0.63 -1.52 115.31 120.31 1jje h LEU 217 Ca 0.00 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1jje h LEU 217 Cb 0.00 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1jje h LEU 217 CO 0.00 0.45 0.36 0.78 -0.34 0.00 0.00 178.44 179.69 1jje h ASN 218 N 0.92 0.61 -0.41 1.25 -0.26 -0.38 -2.90 115.58 114.40 1jje h ASN 218 Ca 0.48 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 56.19 1jje h ASN 218 Cb 0.53 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.62 1jje h ASN 218 CO -0.24 0.44 0.22 -0.33 -1.06 0.00 0.00 177.43 176.46 1jje h GLU 219 N 0.73 0.62 -0.94 0.81 5.08 -0.65 -3.10 114.58 117.13 1jje h GLU 219 Ca 0.20 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1jje h GLU 219 Cb -0.07 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1jje h GLU 219 CO -0.05 0.48 0.00 -1.13 -1.00 0.00 0.00 179.01 177.31 1jje n SER 220 N -4.40 1.30 0.00 1.42 3.41 -1.09 -5.13 113.62 109.12 1jje n SER 220 Ca 0.03 -1.47 0.00 0.00 -0.26 0.00 0.00 58.87 57.17 1jje n SER 220 Cb 0.12 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1jje n SER 220 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17