#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bjk s VAL 10 N 0.00 4.47 0.21 5.18 1.01 -1.26 -5.03 120.40 124.98 1bjk s VAL 10 Ca 0.00 1.78 -0.31 0.00 0.00 0.00 0.00 61.98 63.45 1bjk s VAL 10 Cb 0.00 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 1bjk s VAL 10 CO 0.00 -0.12 1.51 -2.16 0.00 0.00 0.00 175.10 174.32 1bjk s PRO 11 N 3.11 4.24 -0.04 2.72 0.04 -1.26 -5.02 135.00 138.77 1bjk s PRO 11 Ca 0.50 2.34 -0.06 0.00 0.04 0.00 0.00 61.00 63.82 1bjk s PRO 11 Cb -0.19 -3.13 0.01 0.00 0.04 0.00 0.00 34.50 31.23 1bjk s PRO 11 CO 0.13 -0.52 0.15 0.14 0.04 0.00 0.00 177.00 176.93 1bjk s VAL 12 N 0.59 0.02 -1.48 -0.36 -7.23 -1.26 -4.70 120.40 105.97 1bjk s VAL 12 Ca 0.65 -0.17 -0.05 0.00 -1.81 0.00 0.00 61.98 60.60 1bjk s VAL 12 Cb -0.43 -0.28 0.04 0.00 0.56 0.00 0.00 36.38 36.27 1bjk s VAL 12 CO 0.37 -0.09 0.51 0.59 -0.31 0.00 0.00 175.10 176.17 1bjk n ASN 13 N 2.63 -1.12 0.14 4.85 3.02 0.06 -4.81 115.26 120.03 1bjk n ASN 13 Ca -0.15 -1.01 0.02 0.00 -0.03 0.00 0.00 54.58 53.41 1bjk n ASN 13 Cb 0.58 -2.98 0.35 0.00 -0.61 0.00 0.00 39.78 37.12 1bjk n ASN 13 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1bjk h LEU 14 N -1.77 0.14 -8.18 3.41 3.38 -1.26 -3.43 115.31 107.60 1bjk h LEU 14 Ca -0.62 -0.04 -0.49 0.00 0.09 0.00 0.00 57.88 56.82 1bjk h LEU 14 Cb 1.38 -0.04 -0.30 0.00 0.09 0.00 0.00 40.66 41.79 1bjk h LEU 14 CO 0.66 0.42 -0.81 -0.31 0.09 0.00 0.00 178.44 178.49 1bjk s TYR 15 N -4.43 1.29 0.32 1.13 2.02 -0.67 -4.99 117.35 112.03 1bjk s TYR 15 Ca -0.04 -0.27 0.10 0.00 -0.37 0.00 0.00 57.07 56.49 1bjk s TYR 15 Cb 0.15 -0.84 -0.06 0.00 -0.40 0.00 0.00 41.96 40.80 1bjk s TYR 15 CO 0.74 -0.05 -0.12 1.03 -1.57 0.00 0.00 175.55 175.57 1bjk s ARG 16 N -0.21 1.76 0.58 -0.62 0.52 -1.26 -1.24 118.95 118.48 1bjk s ARG 16 Ca 0.03 -1.88 0.29 0.00 -0.52 0.00 0.00 55.73 53.64 1bjk s ARG 16 Cb -0.07 -1.69 1.50 0.00 0.52 0.00 0.00 34.95 35.21 1bjk s ARG 16 CO -0.00 0.19 1.94 -1.35 0.02 0.00 0.00 175.30 176.10 1bjk h PRO 17 N 2.11 0.00 0.00 3.54 0.11 -1.99 -1.33 132.00 134.44 1bjk h PRO 17 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1bjk h PRO 17 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1bjk h PRO 17 CO 0.67 0.00 -0.03 -2.95 -0.21 0.00 0.00 178.00 175.49 1bjk h ASN 18 N 0.00 0.00 -0.57 -2.05 -1.07 -2.02 -3.39 115.58 106.49 1bjk h ASN 18 Ca 0.20 -0.01 -0.32 0.00 0.07 0.00 0.00 56.30 56.25 1bjk h ASN 18 Cb 1.07 0.00 -0.21 0.00 -2.07 0.00 0.00 38.32 37.10 1bjk h ASN 18 CO -0.00 0.00 -0.67 0.00 0.07 0.00 0.00 177.43 176.84 1bjk n ALA 19 N -1.89 -0.28 -1.36 4.14 0.00 -0.54 -5.15 120.51 115.44 1bjk n ALA 19 Ca 0.05 -1.98 -0.31 0.00 0.00 0.00 0.00 53.44 51.21 1bjk n ALA 19 Cb 0.46 -1.18 0.09 0.00 0.00 0.00 0.00 19.45 18.83 1bjk n ALA 19 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bjk s PRO 20 N 0.07 2.23 0.16 0.00 0.04 -0.98 -4.09 135.00 132.43 1bjk s PRO 20 Ca 0.32 1.00 -0.30 0.00 0.04 0.00 0.00 61.00 62.06 1bjk s PRO 20 Cb 0.23 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.79 1bjk s PRO 20 CO -0.19 -1.61 1.05 0.12 0.04 0.00 0.00 177.00 176.41 1bjk s PHE 21 N -2.97 3.68 -0.54 0.56 5.36 -0.19 -4.85 117.98 119.04 1bjk s PHE 21 Ca 0.61 1.68 -0.16 0.00 -0.96 0.00 0.00 56.93 58.09 1bjk s PHE 21 Cb -0.16 -3.19 0.13 0.00 -0.34 0.00 0.00 43.02 39.45 1bjk s PHE 21 CO 0.56 -0.31 0.51 0.42 -1.46 0.00 0.00 175.22 174.94 1bjk s ILE 22 N -0.24 5.18 0.39 3.12 -1.09 -1.26 -0.27 121.20 127.04 1bjk s ILE 22 Ca 0.48 -1.44 0.05 0.00 -2.23 0.00 0.00 60.65 57.51 1bjk s ILE 22 Cb -0.27 -4.34 -0.00 0.00 -1.58 0.00 0.00 42.46 36.26 1bjk s ILE 22 CO 0.33 -0.88 0.55 -0.83 -1.23 0.00 0.00 174.94 172.89 1bjk s GLY 23 N 3.56 1.66 -0.09 6.18 0.00 -0.11 -4.85 107.32 113.67 1bjk s GLY 23 Ca 0.04 -1.39 0.01 0.00 0.00 0.00 0.00 44.72 43.39 1bjk s GLY 23 CO 0.03 -1.25 -0.13 0.54 0.00 0.00 0.00 173.10 172.29 1bjk s LYS 24 N -4.33 2.94 0.13 2.90 1.02 -1.22 0.18 119.74 121.36 1bjk s LYS 24 Ca 0.48 -0.67 -0.31 0.00 0.02 0.00 0.00 55.97 55.49 1bjk s LYS 24 Cb -0.10 -2.53 -0.09 0.00 -0.52 0.00 0.00 37.83 34.59 1bjk s LYS 24 CO 0.33 0.44 1.62 0.08 -0.92 0.00 0.00 175.35 176.90 1bjk s VAL 25 N -0.25 2.74 -0.23 3.17 1.01 -0.14 -0.38 120.40 126.32 1bjk s VAL 25 Ca 0.02 0.43 -0.19 0.00 0.00 0.00 0.00 61.98 62.24 1bjk s VAL 25 Cb -0.13 -3.27 -0.16 0.00 0.00 0.00 0.00 36.38 32.82 1bjk s VAL 25 CO 0.03 0.02 -0.00 -0.38 0.00 0.00 0.00 175.10 174.76 1bjk n ILE 26 N 4.28 1.53 -3.93 2.22 5.41 0.57 -1.06 119.36 128.37 1bjk n ILE 26 Ca 0.15 -0.14 -0.09 0.00 1.00 0.00 0.00 62.75 63.67 1bjk n ILE 26 Cb 0.39 -2.00 -0.08 0.00 -0.71 0.00 0.00 39.64 37.24 1bjk n ILE 26 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1bjk s SER 27 N -7.04 0.15 -0.29 4.38 1.04 -1.17 -4.70 113.70 106.07 1bjk s SER 27 Ca -0.32 -0.79 -0.00 0.00 0.48 0.00 0.00 55.95 55.32 1bjk s SER 27 Cb 0.09 0.35 0.14 0.00 0.10 0.00 0.00 66.02 66.70 1bjk s SER 27 CO 0.54 -0.76 0.30 0.21 0.98 0.00 0.00 173.24 174.51 1bjk s ASN 28 N -2.91 1.61 -0.04 7.02 3.04 -1.26 -1.59 114.94 120.81 1bjk s ASN 28 Ca 0.10 -0.73 0.06 0.00 0.04 0.00 0.00 52.86 52.33 1bjk s ASN 28 Cb 0.05 0.54 -0.02 0.00 -1.54 0.00 0.00 41.25 40.28 1bjk s ASN 28 CO -0.07 -0.39 -0.21 -1.83 -3.04 0.00 0.00 177.10 171.56 1bjk s GLU 29 N 2.37 2.37 0.31 0.43 -1.05 -0.25 -4.93 118.70 117.96 1bjk s GLU 29 Ca 0.09 -0.84 -0.28 0.00 -0.15 0.00 0.00 54.97 53.79 1bjk s GLU 29 Cb -0.14 -2.20 -0.09 0.00 -0.44 0.00 0.00 34.13 31.26 1bjk s GLU 29 CO -0.33 0.54 1.11 -1.25 0.95 0.00 0.00 175.26 176.28 1bjk s PRO 30 N -0.53 4.49 -0.08 -4.83 0.04 -1.26 -0.11 135.00 132.72 1bjk s PRO 30 Ca 0.07 1.78 0.11 0.00 0.04 0.00 0.00 61.00 63.00 1bjk s PRO 30 Cb -0.11 -3.03 -0.16 0.00 0.04 0.00 0.00 34.50 31.24 1bjk s PRO 30 CO 0.01 0.09 0.11 1.28 0.04 0.00 0.00 177.00 178.52 1bjk n LEU 31 N 0.86 0.00 -4.67 -3.56 4.77 0.15 -4.85 117.00 109.70 1bjk n LEU 31 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.56 1bjk n LEU 31 Cb 0.46 0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.72 1bjk n LEU 31 CO 0.52 0.20 0.86 -0.69 -1.33 0.00 0.00 177.39 176.95 1bjk s VAL 32 N -2.46 4.72 0.63 4.08 1.01 -1.24 -4.73 120.40 122.41 1bjk s VAL 32 Ca -0.05 2.00 -0.07 0.00 0.00 0.00 0.00 61.98 63.86 1bjk s VAL 32 Cb 0.05 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.15 1bjk s VAL 32 CO 0.49 -0.11 0.94 -0.54 0.00 0.00 0.00 175.10 175.88 1bjk s LYS 33 N 2.79 2.76 0.26 2.72 1.02 -0.70 -4.96 119.74 123.62 1bjk s LYS 33 Ca 0.45 -0.01 -0.31 0.00 0.02 0.00 0.00 55.97 56.12 1bjk s LYS 33 Cb -0.16 -2.23 -0.13 0.00 -0.52 0.00 0.00 37.83 34.79 1bjk s LYS 33 CO 0.10 -0.84 1.45 -0.85 -0.92 0.00 0.00 175.35 174.29 1bjk n GLU 34 N -2.69 2.21 -0.01 1.68 0.28 -1.26 -1.84 120.64 119.01 1bjk n GLU 34 Ca 0.05 0.79 0.00 0.00 -0.16 0.00 0.00 57.16 57.84 1bjk n GLU 34 Cb 0.58 -2.47 0.00 0.00 1.43 0.00 0.00 31.44 30.98 1bjk n GLU 34 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1bjk n GLY 35 N 2.13 0.23 3.98 -1.84 0.00 -1.26 -4.84 105.19 103.60 1bjk n GLY 35 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1bjk n GLY 35 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bjk s GLY 36 N -1.86 1.83 -0.15 -0.02 0.00 -0.76 -4.88 107.32 101.46 1bjk s GLY 36 Ca 0.00 -1.38 -0.13 0.00 0.00 0.00 0.00 44.72 43.21 1bjk s GLY 36 CO 0.00 -1.08 0.26 -0.42 0.00 0.00 0.00 173.10 171.86 1bjk s ILE 37 N -2.77 5.32 0.00 0.90 1.01 -1.26 -5.00 121.20 119.40 1bjk s ILE 37 Ca 0.58 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.71 1bjk s ILE 37 Cb -0.10 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.78 1bjk s ILE 37 CO 0.38 0.43 0.00 0.61 0.00 0.00 0.00 174.94 176.36 1bjk n GLY 38 N 3.22 -2.03 2.93 6.18 0.00 -1.26 -4.90 105.19 109.32 1bjk n GLY 38 Ca -0.13 -1.40 -0.25 0.00 0.00 0.00 0.00 46.02 44.23 1bjk n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bjk s ILE 39 N -0.03 0.96 -0.06 -0.61 1.01 -1.26 -4.88 121.20 116.33 1bjk s ILE 39 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.35 1bjk s ILE 39 Cb 0.00 -0.96 0.03 0.00 0.01 0.00 0.00 42.46 41.53 1bjk s ILE 39 CO 0.00 0.34 -0.01 -0.69 0.00 0.00 0.00 174.94 174.58 1bjk s VAL 40 N 1.37 0.41 0.02 2.92 1.01 -1.26 -0.98 120.40 123.90 1bjk s VAL 40 Ca -0.02 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.09 1bjk s VAL 40 Cb -0.14 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1bjk s VAL 40 CO -0.04 0.25 -0.15 -1.10 0.00 0.00 0.00 175.10 174.06 1bjk s GLN 41 N 1.71 2.24 -0.33 2.72 -1.52 -0.07 -0.67 119.66 123.75 1bjk s GLN 41 Ca 0.01 -0.88 -0.12 0.00 -1.95 0.00 0.00 55.36 52.42 1bjk s GLN 41 Cb -0.13 -2.29 -0.02 0.00 -0.22 0.00 0.00 33.01 30.36 1bjk s GLN 41 CO -0.04 0.56 0.22 -1.58 -0.25 0.00 0.00 175.29 174.20 1bjk s HIS 42 N -0.93 3.22 -0.18 0.91 5.65 0.84 -1.28 115.29 123.52 1bjk s HIS 42 Ca 0.15 -0.26 0.01 0.00 0.25 0.00 0.00 55.06 55.21 1bjk s HIS 42 Cb -0.11 -2.44 0.02 0.00 -1.18 0.00 0.00 32.58 28.88 1bjk s HIS 42 CO 0.05 -0.36 -0.19 0.42 -0.65 0.00 0.00 174.74 174.02 1bjk s ILE 43 N 1.70 1.97 -0.12 0.89 1.01 -0.64 -1.09 121.20 124.93 1bjk s ILE 43 Ca 0.06 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 1bjk s ILE 43 Cb -0.17 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 1bjk s ILE 43 CO 0.10 0.50 0.02 -0.75 0.00 0.00 0.00 174.94 174.81 1bjk s LYS 44 N 1.32 3.32 0.14 2.79 2.20 -0.62 -1.13 119.74 127.76 1bjk s LYS 44 Ca 0.04 -0.38 0.09 0.00 -0.36 0.00 0.00 55.97 55.37 1bjk s LYS 44 Cb -0.13 -2.93 -0.04 0.00 -1.51 0.00 0.00 37.83 33.21 1bjk s LYS 44 CO -0.12 0.56 -0.18 -0.06 -0.36 0.00 0.00 175.35 175.19 1bjk s PHE 45 N -0.49 2.51 -0.13 4.03 0.08 0.13 -0.32 117.98 123.79 1bjk s PHE 45 Ca 0.09 -0.28 -0.17 0.00 0.12 0.00 0.00 56.93 56.69 1bjk s PHE 45 Cb -0.12 -1.31 -0.04 0.00 -0.57 0.00 0.00 43.02 40.98 1bjk s PHE 45 CO 0.02 0.41 0.45 0.34 -0.10 0.00 0.00 175.22 176.34 1bjk s ASP 46 N -2.30 6.63 0.00 1.36 2.15 0.49 -1.75 116.67 123.24 1bjk s ASP 46 Ca 0.19 0.74 0.13 0.00 0.43 0.00 0.00 52.55 54.05 1bjk s ASP 46 Cb -0.10 -2.27 0.13 0.00 -0.30 0.00 0.00 42.92 40.39 1bjk s ASP 46 CO 0.10 0.00 0.97 0.18 -0.17 0.00 0.00 175.17 176.26 1bjk n LEU 47 N 3.75 2.23 -4.75 -1.34 4.77 0.29 -3.42 117.00 118.54 1bjk n LEU 47 Ca -0.08 -1.11 -0.41 0.00 -0.03 0.00 0.00 56.01 54.39 1bjk n LEU 47 Cb 0.52 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 1bjk n LEU 47 CO 0.42 0.43 1.00 0.42 -1.33 0.00 0.00 177.39 178.34 1bjk s THR 48 N -1.11 3.00 0.00 -5.08 -4.23 -1.25 -2.63 115.64 104.33 1bjk s THR 48 Ca 0.17 0.86 0.00 0.00 -1.18 0.00 0.00 61.69 61.54 1bjk s THR 48 Cb 0.12 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.40 1bjk s THR 48 CO 0.17 0.15 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 1bjk n GLY 49 N 1.99 1.89 3.12 3.99 0.00 -1.26 -5.03 105.19 109.90 1bjk n GLY 49 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1bjk n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bjk n GLY 50 N -0.19 3.26 1.15 -0.02 0.00 -1.08 -5.06 105.19 103.25 1bjk n GLY 50 Ca 0.00 -2.32 -0.05 0.00 0.00 0.00 0.00 46.02 43.65 1bjk n GLY 50 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bjk n ASN 51 N -1.54 2.76 -4.59 1.61 0.23 -1.26 -5.00 115.26 107.47 1bjk n ASN 51 Ca -0.10 -3.83 -0.42 0.00 -0.53 0.00 0.00 54.58 49.70 1bjk n ASN 51 Cb 0.53 -0.57 -0.03 0.00 -2.08 0.00 0.00 39.78 37.63 1bjk n ASN 51 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1bjk s LEU 52 N -3.32 3.46 0.15 -4.53 1.98 -1.26 -4.97 118.68 110.19 1bjk s LEU 52 Ca 0.44 1.07 0.07 0.00 -2.89 0.00 0.00 54.13 52.83 1bjk s LEU 52 Cb 0.40 -3.27 -0.04 0.00 0.66 0.00 0.00 46.19 43.94 1bjk s LEU 52 CO -0.02 -1.87 -0.04 -0.54 -1.89 0.00 0.00 176.35 171.99 1bjk s LYS 53 N 5.99 2.30 0.17 1.98 1.02 -1.26 -5.08 119.74 124.87 1bjk s LYS 53 Ca 0.77 -1.09 -0.21 0.00 0.02 0.00 0.00 55.97 55.46 1bjk s LYS 53 Cb -0.20 -2.33 0.05 0.00 -0.52 0.00 0.00 37.83 34.84 1bjk s LYS 53 CO 0.31 0.47 0.57 1.52 -0.92 0.00 0.00 175.35 177.30 1bjk s TYR 54 N -1.57 -0.39 0.42 3.18 1.13 -1.26 -4.50 117.35 114.36 1bjk s TYR 54 Ca 0.25 0.12 0.03 0.00 -1.41 0.00 0.00 57.07 56.06 1bjk s TYR 54 Cb -0.10 0.50 -0.03 0.00 -1.10 0.00 0.00 41.96 41.24 1bjk s TYR 54 CO 0.17 -0.88 0.10 0.96 -2.51 0.00 0.00 175.55 173.39 1bjk s ILE 55 N -3.79 0.79 0.16 -3.49 -4.36 -1.26 -4.46 121.20 104.78 1bjk s ILE 55 Ca 0.04 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 58.12 1bjk s ILE 55 Cb -0.01 -2.38 -0.09 0.00 1.25 0.00 0.00 42.46 41.23 1bjk s ILE 55 CO -0.09 0.00 1.41 -1.61 0.24 0.00 0.00 174.94 174.89 1bjk s GLU 56 N -3.76 4.31 0.00 0.37 8.01 -1.26 -3.02 118.70 123.34 1bjk s GLU 56 Ca 0.22 2.15 0.00 0.00 0.01 0.00 0.00 54.97 57.35 1bjk s GLU 56 Cb 0.03 -3.20 0.00 0.00 -4.31 0.00 0.00 34.13 26.65 1bjk s GLU 56 CO 0.13 -0.43 0.00 0.41 0.01 0.00 0.00 175.26 175.37 1bjk n GLY 57 N 3.18 1.83 3.92 -1.39 0.00 -1.26 -4.24 105.19 107.23 1bjk n GLY 57 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1bjk n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bjk s GLN 58 N -0.73 1.95 0.32 1.61 -0.21 -1.17 -4.48 119.66 116.95 1bjk s GLN 58 Ca 0.00 -0.17 0.10 0.00 0.02 0.00 0.00 55.36 55.31 1bjk s GLN 58 Cb 0.00 -2.07 -0.06 0.00 1.00 0.00 0.00 33.01 31.88 1bjk s GLN 58 CO 0.00 -1.48 -0.11 -1.12 -2.12 0.00 0.00 175.29 170.46 1bjk s SER 59 N -4.58 3.57 0.20 5.90 0.01 -0.13 -0.91 113.70 117.76 1bjk s SER 59 Ca 0.62 -1.16 0.07 0.00 1.31 0.00 0.00 55.95 56.80 1bjk s SER 59 Cb -0.10 -0.31 -0.05 0.00 0.21 0.00 0.00 66.02 65.77 1bjk s SER 59 CO 0.47 -0.17 -0.14 0.27 0.41 0.00 0.00 173.24 174.08 1bjk s ILE 60 N -2.64 1.67 0.04 1.44 -4.36 -0.19 -0.61 121.20 116.55 1bjk s ILE 60 Ca 0.31 -2.19 -0.09 0.00 -0.26 0.00 0.00 60.65 58.43 1bjk s ILE 60 Cb 0.01 -2.01 -0.05 0.00 1.25 0.00 0.00 42.46 41.65 1bjk s ILE 60 CO 0.15 -0.61 0.34 -0.83 0.24 0.00 0.00 174.94 174.24 1bjk s GLY 61 N -3.28 2.31 -0.11 6.27 0.00 0.23 -0.52 107.32 112.23 1bjk s GLY 61 Ca 0.22 -0.46 0.02 0.00 0.00 0.00 0.00 44.72 44.49 1bjk s GLY 61 CO 0.06 -0.25 -0.18 -0.42 0.00 0.00 0.00 173.10 172.32 1bjk s ILE 62 N -1.33 2.67 -0.42 0.90 -1.09 -0.48 -1.19 121.20 120.25 1bjk s ILE 62 Ca 0.30 -0.81 -0.14 0.00 -2.23 0.00 0.00 60.65 57.76 1bjk s ILE 62 Cb -0.14 -2.07 0.04 0.00 -1.58 0.00 0.00 42.46 38.71 1bjk s ILE 62 CO 0.17 0.55 0.31 -0.63 -1.23 0.00 0.00 174.94 174.10 1bjk s ILE 63 N 0.19 5.08 0.54 2.92 1.01 -0.79 -1.74 121.20 128.40 1bjk s ILE 63 Ca -0.10 -0.85 -0.18 0.00 0.00 0.00 0.00 60.65 59.52 1bjk s ILE 63 Cb -0.16 -3.90 -0.06 0.00 0.01 0.00 0.00 42.46 38.35 1bjk s ILE 63 CO 0.06 -0.38 1.04 -2.16 0.00 0.00 0.00 174.94 173.50 1bjk s PRO 64 N 1.63 3.58 0.75 2.79 0.04 -1.26 -4.42 135.00 138.11 1bjk s PRO 64 Ca 0.04 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.23 1bjk s PRO 64 Cb -0.21 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.30 1bjk s PRO 64 CO 0.08 -0.60 1.08 -1.25 0.04 0.00 0.00 177.00 176.34 1bjk s PRO 65 N -3.69 2.52 0.00 0.56 0.04 -1.26 -4.63 135.00 128.55 1bjk s PRO 65 Ca 0.65 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1bjk s PRO 65 Cb -0.16 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1bjk s PRO 65 CO 0.29 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.37 1bjk n GLY 66 N -1.93 0.77 3.38 0.56 0.00 -1.26 -4.85 105.19 101.87 1bjk n GLY 66 Ca 0.07 -2.12 -0.28 0.00 0.00 0.00 0.00 46.02 43.69 1bjk n GLY 66 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bjk s VAL 67 N -1.27 2.22 1.07 1.61 -7.23 -1.26 -2.22 120.40 113.31 1bjk s VAL 67 Ca 0.00 -1.75 -0.18 0.00 -1.81 0.00 0.00 61.98 58.24 1bjk s VAL 67 Cb 0.00 -1.97 0.27 0.00 0.56 0.00 0.00 36.38 35.24 1bjk s VAL 67 CO 0.00 0.07 0.86 -0.90 -0.31 0.00 0.00 175.10 174.82 1bjk n ASP 68 N 0.90 -2.38 -2.85 4.85 5.68 0.02 -4.84 116.55 117.92 1bjk n ASP 68 Ca -0.18 -0.97 -0.30 0.00 -0.50 0.00 0.00 54.79 52.84 1bjk n ASP 68 Cb 0.53 -0.83 -0.08 0.00 -1.14 0.00 0.00 41.12 39.60 1bjk n ASP 68 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1bjk n LYS 69 N -4.49 3.12 0.00 0.11 5.02 -1.26 -2.50 118.16 118.16 1bjk n LYS 69 Ca 0.12 -1.82 0.00 0.00 -2.02 0.00 0.00 58.31 54.60 1bjk n LYS 69 Cb 0.49 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 32.99 1bjk n LYS 69 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1bjk n ASN 70 N 3.13 0.00 0.00 4.39 2.85 -1.26 -5.02 115.26 119.35 1bjk n ASN 70 Ca 0.66 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 55.13 1bjk n ASN 70 Cb 0.47 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.49 1bjk n ASN 70 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1bjk n GLY 71 N 0.00 1.03 3.80 8.20 0.00 -1.04 -5.04 105.19 112.14 1bjk n GLY 71 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1bjk n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bjk s LYS 72 N -0.50 4.15 0.43 1.61 1.02 -1.26 -4.83 119.74 120.36 1bjk s LYS 72 Ca 0.00 0.61 -0.24 0.00 0.02 0.00 0.00 55.97 56.36 1bjk s LYS 72 Cb 0.00 -3.27 -0.10 0.00 -0.52 0.00 0.00 37.83 33.94 1bjk s LYS 72 CO 0.00 0.56 1.06 -2.30 -0.92 0.00 0.00 175.35 173.75 1bjk n PRO 73 N 2.10 1.43 -2.18 -1.68 -0.02 -1.26 -0.80 135.00 132.59 1bjk n PRO 73 Ca -0.11 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 1bjk n PRO 73 Cb 0.51 -2.12 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 1bjk n PRO 73 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1bjk s GLU 74 N -2.10 4.41 0.57 -0.52 0.41 -0.94 -4.68 118.70 115.85 1bjk s GLU 74 Ca 0.64 2.14 -0.04 0.00 -0.41 0.00 0.00 54.97 57.29 1bjk s GLU 74 Cb -0.54 -3.09 0.01 0.00 -1.78 0.00 0.00 34.13 28.73 1bjk s GLU 74 CO 0.56 -0.11 0.85 0.15 -0.49 0.00 0.00 175.26 176.22 1bjk s LYS 75 N -1.72 2.83 0.59 1.61 1.02 -1.26 -4.73 119.74 118.08 1bjk s LYS 75 Ca 0.48 -0.21 -0.18 0.00 0.02 0.00 0.00 55.97 56.08 1bjk s LYS 75 Cb -0.38 -2.34 -0.03 0.00 -0.52 0.00 0.00 37.83 34.55 1bjk s LYS 75 CO 0.51 -0.67 1.14 -0.48 -0.92 0.00 0.00 175.35 174.93 1bjk s LEU 76 N -4.90 3.62 0.00 3.17 0.05 -1.26 -4.49 118.68 114.86 1bjk s LEU 76 Ca 0.54 2.17 0.07 0.00 0.05 0.00 0.00 54.13 56.96 1bjk s LEU 76 Cb -0.10 -4.58 -0.03 0.00 -2.05 0.00 0.00 46.19 39.43 1bjk s LEU 76 CO 0.43 -1.44 -0.23 -0.13 -0.55 0.00 0.00 176.35 174.43 1bjk s ARG 77 N -3.54 2.08 0.13 1.48 3.00 -0.71 -4.93 118.95 116.45 1bjk s ARG 77 Ca 0.72 -0.95 -0.18 0.00 0.00 0.00 0.00 55.73 55.32 1bjk s ARG 77 Cb -0.24 -2.10 -0.07 0.00 0.00 0.00 0.00 34.95 32.53 1bjk s ARG 77 CO 0.33 0.55 0.61 -0.51 0.00 0.00 0.00 175.30 176.28 1bjk s LEU 78 N -0.96 4.43 -0.04 2.53 1.43 -1.26 -1.39 118.68 123.42 1bjk s LEU 78 Ca 0.12 1.25 0.01 0.00 -1.03 0.00 0.00 54.13 54.48 1bjk s LEU 78 Cb -0.10 -3.18 0.02 0.00 0.03 0.00 0.00 46.19 42.96 1bjk s LEU 78 CO 0.01 0.16 -0.04 -0.31 0.23 0.00 0.00 176.35 176.41 1bjk s TYR 79 N -1.31 0.68 0.25 0.29 2.02 0.33 -4.98 117.35 114.62 1bjk s TYR 79 Ca 0.35 -0.17 -0.31 0.00 -0.37 0.00 0.00 57.07 56.57 1bjk s TYR 79 Cb -0.18 -0.63 -0.13 0.00 -0.40 0.00 0.00 41.96 40.63 1bjk s TYR 79 CO 0.20 -0.19 1.50 0.43 -1.57 0.00 0.00 175.55 175.92 1bjk n SER 80 N 4.09 3.20 -4.74 2.29 7.64 -1.26 -1.02 113.62 123.83 1bjk n SER 80 Ca -0.25 1.14 -0.41 0.00 1.01 0.00 0.00 58.87 60.36 1bjk n SER 80 Cb 0.51 -1.49 -0.03 0.00 -1.01 0.00 0.00 64.21 62.19 1bjk n SER 80 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1bjk s ILE 81 N 0.06 3.08 -1.56 0.44 1.01 -0.08 -4.50 121.20 119.64 1bjk s ILE 81 Ca 0.68 0.87 0.15 0.00 0.00 0.00 0.00 60.65 62.35 1bjk s ILE 81 Cb -0.59 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 38.35 1bjk s ILE 81 CO 0.48 0.12 0.87 0.00 0.00 0.00 0.00 174.94 176.41 1bjk n ALA 82 N 2.78 2.95 -2.62 9.38 0.00 -0.10 -4.00 120.51 128.90 1bjk n ALA 82 Ca 0.07 -0.55 -0.25 0.00 0.00 0.00 0.00 53.44 52.71 1bjk n ALA 82 Cb 0.42 -0.54 -0.08 0.00 0.00 0.00 0.00 19.45 19.25 1bjk n ALA 82 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1bjk s SER 83 N -1.69 4.49 1.28 0.00 1.04 -1.24 -4.21 113.70 113.37 1bjk s SER 83 Ca 0.14 -0.56 -0.21 0.00 0.48 0.00 0.00 55.95 55.79 1bjk s SER 83 Cb 0.13 -0.84 0.32 0.00 0.10 0.00 0.00 66.02 65.73 1bjk s SER 83 CO 0.33 0.06 1.08 0.35 0.98 0.00 0.00 173.24 176.04 1bjk n THR 84 N -0.38 0.00 0.32 2.02 -2.24 -1.26 -4.79 114.28 107.94 1bjk n THR 84 Ca -0.09 -0.44 0.21 0.00 -2.27 0.00 0.00 64.05 61.46 1bjk n THR 84 Cb 0.57 -1.22 1.03 0.00 -2.10 0.00 0.00 70.33 68.61 1bjk n THR 84 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1bjk h ARG 85 N 0.00 0.00 -0.00 -0.78 0.11 -1.89 -1.96 114.38 109.86 1bjk h ARG 85 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 1bjk h ARG 85 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1bjk h ARG 85 CO 0.27 0.01 -0.53 0.72 0.10 0.00 0.00 179.97 180.54 1bjk n HIS 86 N -3.13 0.00 0.00 4.08 8.25 -1.26 -4.75 115.22 118.41 1bjk n HIS 86 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1bjk n HIS 86 Cb 0.15 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.08 1bjk n HIS 86 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bjk n GLY 87 N 1.47 -1.97 0.32 -1.41 0.00 -0.74 -0.58 105.19 102.27 1bjk n GLY 87 Ca 0.07 -1.51 0.14 0.00 0.00 0.00 0.00 46.02 44.71 1bjk n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bjk h ASP 88 N 0.00 0.00 -0.12 1.61 3.32 -1.86 -0.87 116.42 118.51 1bjk h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1bjk h ASP 88 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1bjk h ASP 88 CO 0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 1bjk n ASP 89 N -4.42 2.19 -3.79 6.45 8.00 -1.26 -4.95 116.55 118.77 1bjk n ASP 89 Ca 0.03 -1.75 -0.24 0.00 0.71 0.00 0.00 54.79 53.54 1bjk n ASP 89 Cb 0.32 -0.07 0.02 0.00 -0.02 0.00 0.00 41.12 41.38 1bjk n ASP 89 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1bjk n VAL 90 N 0.69 -3.66 -0.15 2.53 0.31 -0.33 -4.91 118.33 112.82 1bjk n VAL 90 Ca 0.17 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1bjk n VAL 90 Cb 0.44 -3.40 0.00 0.00 -0.91 0.00 0.00 33.84 29.98 1bjk n VAL 90 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1bjk n ASP 91 N -2.99 1.08 -2.46 4.52 5.68 -0.67 -4.99 116.55 116.72 1bjk n ASP 91 Ca -0.21 -1.23 -0.20 0.00 -0.50 0.00 0.00 54.79 52.65 1bjk n ASP 91 Cb 0.64 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.62 1bjk n ASP 91 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1bjk n ASP 92 N -0.11 -5.75 0.00 -1.12 8.00 0.25 -4.87 116.55 112.94 1bjk n ASP 92 Ca 0.00 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1bjk n ASP 92 Cb 0.10 -4.71 0.00 0.00 -0.02 0.00 0.00 41.12 36.49 1bjk n ASP 92 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bjk n LYS 93 N -3.22 4.65 -4.27 -1.24 5.02 -1.26 -5.00 118.16 112.83 1bjk n LYS 93 Ca -0.19 -0.04 -0.17 0.00 -2.02 0.00 0.00 58.31 55.88 1bjk n LYS 93 Cb 0.66 -0.44 -0.09 0.00 -0.02 0.00 0.00 35.03 35.14 1bjk n LYS 93 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1bjk s THR 94 N -0.68 0.11 -0.08 -0.18 -4.23 -1.26 -0.55 115.64 108.78 1bjk s THR 94 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 1bjk s THR 94 Cb 0.00 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.36 1bjk s THR 94 CO 0.00 0.00 0.29 -0.51 -0.54 0.00 0.00 174.62 173.86 1bjk s ILE 95 N -3.74 0.02 0.14 2.99 2.07 -0.72 -4.08 121.20 117.89 1bjk s ILE 95 Ca 0.38 -0.17 0.10 0.00 -1.41 0.00 0.00 60.65 59.55 1bjk s ILE 95 Cb 0.05 -0.47 -0.04 0.00 0.13 0.00 0.00 42.46 42.13 1bjk s ILE 95 CO 0.19 -0.09 -0.22 -0.44 -1.91 0.00 0.00 174.94 172.46 1bjk s SER 96 N -0.31 2.92 0.16 4.50 0.01 -1.26 0.20 113.70 119.92 1bjk s SER 96 Ca -0.04 -0.77 0.07 0.00 1.31 0.00 0.00 55.95 56.52 1bjk s SER 96 Cb -0.03 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 1bjk s SER 96 CO 0.01 0.08 -0.16 -0.76 0.41 0.00 0.00 173.24 172.83 1bjk s LEU 97 N -2.23 2.46 -0.32 2.44 1.43 -0.28 -0.93 118.68 121.26 1bjk s LEU 97 Ca 0.13 -0.89 0.03 0.00 -1.03 0.00 0.00 54.13 52.37 1bjk s LEU 97 Cb -0.09 -0.70 0.09 0.00 0.03 0.00 0.00 46.19 45.51 1bjk s LEU 97 CO 0.06 -0.10 0.00 0.00 0.23 0.00 0.00 176.35 176.54 1bjk s VAL 99 N 0.99 2.19 -0.02 0.00 1.01 -0.41 -4.95 120.40 119.22 1bjk s VAL 99 Ca 0.04 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 1bjk s VAL 99 Cb -0.20 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 1bjk s VAL 99 CO -0.07 0.53 0.50 -0.60 0.00 0.00 0.00 175.10 175.46 1bjk s ARG 100 N 1.23 4.18 -0.13 2.72 3.52 -1.26 -0.89 118.95 128.32 1bjk s ARG 100 Ca 0.03 0.55 -0.29 0.00 -0.13 0.00 0.00 55.73 55.89 1bjk s ARG 100 Cb -0.13 -3.31 -0.02 0.00 -1.56 0.00 0.00 34.95 29.92 1bjk s ARG 100 CO -0.10 0.47 1.31 -1.14 -0.81 0.00 0.00 175.30 175.02 1bjk s GLN 101 N -0.43 4.25 -0.14 5.12 0.74 -0.15 -4.83 119.66 124.22 1bjk s GLN 101 Ca 0.27 1.75 -0.25 0.00 0.05 0.00 0.00 55.36 57.18 1bjk s GLN 101 Cb -0.17 -3.75 -0.02 0.00 1.10 0.00 0.00 33.01 30.17 1bjk s GLN 101 CO 0.14 -0.68 0.81 -1.17 -0.55 0.00 0.00 175.29 173.84 1bjk s LEU 102 N 3.31 4.21 -0.04 3.68 2.96 -1.26 -4.71 118.68 126.83 1bjk s LEU 102 Ca 0.58 1.19 -0.15 0.00 -0.22 0.00 0.00 54.13 55.53 1bjk s LEU 102 Cb -0.24 -3.21 0.03 0.00 0.50 0.00 0.00 46.19 43.27 1bjk s LEU 102 CO 0.18 -0.33 0.33 -1.83 -1.32 0.00 0.00 176.35 173.38 1bjk s GLU 103 N 1.79 0.62 0.23 1.98 -1.05 -1.26 -0.19 118.70 120.82 1bjk s GLU 103 Ca 0.39 -0.02 0.00 0.00 -0.15 0.00 0.00 54.97 55.19 1bjk s GLU 103 Cb -0.17 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.80 1bjk s GLU 103 CO 0.14 -0.16 0.29 2.48 0.95 0.00 0.00 175.26 178.97 1bjk n TYR 104 N 1.65 -0.98 -1.18 4.83 4.11 -0.63 -5.00 117.16 119.96 1bjk n TYR 104 Ca -0.19 -1.60 -0.37 0.00 -0.00 0.00 0.00 57.90 55.73 1bjk n TYR 104 Cb 0.56 0.33 0.03 0.00 -0.00 0.00 0.00 39.34 40.27 1bjk n TYR 104 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 1bjk n LYS 105 N -0.39 0.08 0.29 -3.48 2.85 -1.26 -2.29 118.16 113.96 1bjk n LYS 105 Ca 0.01 0.04 -0.16 0.00 -1.05 0.00 0.00 58.31 57.15 1bjk n LYS 105 Cb 0.39 -1.23 -0.08 0.00 -0.65 0.00 0.00 35.03 33.45 1bjk n LYS 105 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1bjk h HIS 106 N -0.38 -0.65 -0.13 5.58 3.86 -1.94 -2.68 115.15 118.81 1bjk h HIS 106 Ca -0.43 -0.02 -0.45 0.00 -1.16 0.00 0.00 60.37 58.32 1bjk h HIS 106 Cb 1.38 0.22 0.05 0.00 1.06 0.00 0.00 27.41 30.11 1bjk h HIS 106 CO 0.26 -0.36 1.37 -0.35 0.86 0.00 0.00 177.93 179.71 1bjk n PRO 107 N -5.35 0.90 -2.70 2.45 -0.04 -1.26 -3.17 135.00 125.82 1bjk n PRO 107 Ca -0.12 -1.76 -0.06 0.00 -0.04 0.00 0.00 63.50 61.53 1bjk n PRO 107 Cb 0.31 -3.19 0.08 0.00 -0.04 0.00 0.00 33.50 30.66 1bjk n PRO 107 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1bjk n GLU 108 N 7.77 0.44 -1.99 0.54 4.07 -1.26 -5.03 120.64 125.17 1bjk n GLU 108 Ca 0.46 -1.16 0.00 0.00 -0.06 0.00 0.00 57.16 56.41 1bjk n GLU 108 Cb 0.43 -0.67 0.00 0.00 -0.06 0.00 0.00 31.44 31.14 1bjk n GLU 108 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1bjk n SER 109 N 1.20 -2.22 0.00 4.31 2.88 -1.26 -3.55 113.62 114.98 1bjk n SER 109 Ca 0.03 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1bjk n SER 109 Cb 0.69 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 1bjk n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bjk n GLY 110 N 2.05 2.85 1.79 0.46 0.00 -1.26 -4.78 105.19 106.30 1bjk n GLY 110 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 1bjk n GLY 110 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bjk n GLU 111 N 0.00 -2.21 -0.96 1.61 -0.58 -1.19 -5.01 120.64 112.30 1bjk n GLU 111 Ca 0.00 1.90 0.00 0.00 -0.42 0.00 0.00 57.16 58.64 1bjk n GLU 111 Cb 0.00 -2.60 0.00 0.00 -0.57 0.00 0.00 31.44 28.27 1bjk n GLU 111 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1bjk n THR 112 N 0.79 -1.79 -4.31 2.62 -1.04 -1.01 -4.84 114.28 104.72 1bjk n THR 112 Ca -0.09 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.58 1bjk n THR 112 Cb 0.14 -2.31 -0.11 0.00 -1.82 0.00 0.00 70.33 66.24 1bjk n THR 112 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1bjk s VAL 113 N 0.00 4.20 -0.16 12.58 1.01 -0.97 -4.98 120.40 132.08 1bjk s VAL 113 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 1bjk s VAL 113 Cb 0.00 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 1bjk s VAL 113 CO 0.00 0.51 -0.02 -0.31 0.00 0.00 0.00 175.10 175.29 1bjk s TYR 114 N 0.07 3.07 0.33 5.22 2.02 -1.26 -1.60 117.35 125.20 1bjk s TYR 114 Ca 0.02 -0.22 -0.29 0.00 -0.37 0.00 0.00 57.07 56.21 1bjk s TYR 114 Cb -0.13 -1.98 -0.12 0.00 -0.40 0.00 0.00 41.96 39.32 1bjk s TYR 114 CO 0.02 0.01 1.36 0.41 -1.57 0.00 0.00 175.55 175.78 1bjk n GLY 115 N 3.53 0.77 0.30 0.71 0.00 0.73 -4.94 105.19 106.29 1bjk n GLY 115 Ca -0.17 0.36 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1bjk n GLY 115 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1bjk h VAL 116 N 2.76 0.23 -0.05 1.61 2.07 -1.99 -2.41 116.25 118.47 1bjk h VAL 116 Ca -0.47 -0.46 -0.20 0.00 0.82 0.00 0.00 66.70 66.39 1bjk h VAL 116 Cb 1.27 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1bjk h VAL 116 CO 0.66 0.04 -0.82 0.00 0.02 0.00 0.00 177.57 177.48 1bjk h SER 118 N 0.26 0.48 -0.33 0.00 4.64 -1.88 -1.38 113.55 115.34 1bjk h SER 118 Ca -0.05 -0.31 -0.11 0.00 -0.47 0.00 0.00 61.79 60.86 1bjk h SER 118 Cb 1.42 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 1bjk h SER 118 CO 0.14 1.03 -0.22 0.74 -0.87 0.00 0.00 176.83 177.66 1bjk h THR 119 N 0.28 1.29 -0.64 2.95 2.02 -1.50 -1.45 112.91 115.87 1bjk h THR 119 Ca -0.02 -1.36 0.06 0.00 0.77 0.00 0.00 66.41 65.86 1bjk h THR 119 Cb 1.27 1.45 -0.05 0.00 -1.74 0.00 0.00 68.15 69.07 1bjk h THR 119 CO 0.12 0.44 0.35 0.22 0.37 0.00 0.00 175.52 177.02 1bjk h TYR 120 N 0.50 0.63 0.09 3.16 3.20 -1.35 -2.79 116.97 120.41 1bjk h TYR 120 Ca 0.07 0.02 -0.29 0.00 3.14 0.00 0.00 58.73 61.67 1bjk h TYR 120 Cb 0.77 -0.19 0.03 0.00 1.54 0.00 0.00 36.73 38.88 1bjk h TYR 120 CO 0.06 0.30 -1.19 -0.07 -1.64 0.00 0.00 178.16 175.62 1bjk h LEU 121 N 0.64 0.88 -0.51 2.82 3.38 -1.19 -2.90 115.31 118.43 1bjk h LEU 121 Ca 0.29 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1bjk h LEU 121 Cb 0.19 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1bjk h LEU 121 CO -0.19 1.58 0.00 0.35 0.09 0.00 0.00 178.44 180.28 1bjk n THR 122 N -3.80 0.78 -0.48 0.22 -2.24 -0.55 -2.75 114.28 105.45 1bjk n THR 122 Ca -0.13 0.13 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 1bjk n THR 122 Cb 0.96 -1.03 0.08 0.00 -2.10 0.00 0.00 70.33 68.24 1bjk n THR 122 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1bjk n HIS 123 N -2.17 0.10 -2.76 4.78 8.25 -1.06 -4.97 115.22 117.40 1bjk n HIS 123 Ca 0.03 -0.71 -0.39 0.00 -0.26 0.00 0.00 57.72 56.39 1bjk n HIS 123 Cb 0.26 -0.10 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 1bjk n HIS 123 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1bjk s ILE 124 N -1.82 4.11 0.21 1.59 2.07 -1.10 -5.04 121.20 121.22 1bjk s ILE 124 Ca 0.17 2.02 -0.13 0.00 -1.41 0.00 0.00 60.65 61.30 1bjk s ILE 124 Cb 0.14 -4.24 -0.07 0.00 0.13 0.00 0.00 42.46 38.41 1bjk s ILE 124 CO 0.03 0.40 0.58 -1.61 -1.91 0.00 0.00 174.94 172.43 1bjk s GLU 125 N -1.42 3.92 0.15 3.50 0.41 -1.26 -4.83 118.70 119.16 1bjk s GLU 125 Ca 0.44 0.44 -0.34 0.00 -0.41 0.00 0.00 54.97 55.09 1bjk s GLU 125 Cb -0.24 -2.75 -0.16 0.00 -1.78 0.00 0.00 34.13 29.21 1bjk s GLU 125 CO 0.30 0.37 1.28 -2.30 -0.49 0.00 0.00 175.26 174.41 1bjk n PRO 126 N 0.26 1.32 0.00 0.39 -0.02 -1.26 -2.00 135.00 133.69 1bjk n PRO 126 Ca -0.02 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1bjk n PRO 126 Cb 0.52 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1bjk n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bjk n GLY 127 N 2.31 3.32 3.77 -1.23 0.00 -0.23 -4.98 105.19 108.15 1bjk n GLY 127 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1bjk n GLY 127 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bjk s SER 128 N -1.11 5.72 0.01 1.61 0.01 -0.85 -4.72 113.70 114.38 1bjk s SER 128 Ca 0.00 2.21 -0.10 0.00 1.31 0.00 0.00 55.95 59.37 1bjk s SER 128 Cb 0.00 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.59 1bjk s SER 128 CO 0.00 -1.22 0.34 -1.61 0.41 0.00 0.00 173.24 171.15 1bjk s GLU 129 N -3.23 3.72 0.05 12.44 2.02 -1.26 -0.97 118.70 131.47 1bjk s GLU 129 Ca 0.72 0.14 0.05 0.00 0.02 0.00 0.00 54.97 55.90 1bjk s GLU 129 Cb -0.25 -3.11 -0.02 0.00 0.10 0.00 0.00 34.13 30.85 1bjk s GLU 129 CO 0.28 0.65 -0.15 0.08 0.02 0.00 0.00 175.26 176.14 1bjk s VAL 130 N -1.24 1.16 -0.25 2.63 1.01 0.13 -4.95 120.40 118.89 1bjk s VAL 130 Ca 0.27 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 60.98 1bjk s VAL 130 Cb -0.14 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1bjk s VAL 130 CO 0.14 -0.02 0.56 -0.54 0.00 0.00 0.00 175.10 175.24 1bjk s LYS 131 N -1.26 4.10 -0.10 2.72 1.02 -1.26 -0.93 119.74 124.03 1bjk s LYS 131 Ca 0.01 0.42 0.03 0.00 0.02 0.00 0.00 55.97 56.46 1bjk s LYS 131 Cb -0.08 -3.64 0.01 0.00 -0.52 0.00 0.00 37.83 33.60 1bjk s LYS 131 CO 0.02 -0.34 -0.21 0.42 -0.92 0.00 0.00 175.35 174.32 1bjk s ILE 132 N 2.27 1.84 0.27 2.17 1.01 0.63 -1.88 121.20 127.50 1bjk s ILE 132 Ca 0.23 -0.88 0.11 0.00 0.00 0.00 0.00 60.65 60.12 1bjk s ILE 132 Cb -0.16 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 1bjk s ILE 132 CO 0.09 0.51 -0.15 0.42 0.00 0.00 0.00 174.94 175.81 1bjk s THR 133 N 0.53 2.72 -1.04 2.92 -4.23 -0.33 -1.02 115.64 115.19 1bjk s THR 133 Ca -0.15 -2.25 0.00 0.00 -1.18 0.00 0.00 61.69 58.11 1bjk s THR 133 Cb -0.17 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1bjk s THR 133 CO 0.05 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1bjk n GLY 134 N -0.61 0.36 3.81 3.99 0.00 -0.37 -0.60 105.19 111.76 1bjk n GLY 134 Ca -0.06 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.70 1bjk n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bjk s PRO 135 N -0.43 2.45 0.14 1.61 0.04 -1.26 -0.87 135.00 136.67 1bjk s PRO 135 Ca 0.00 0.81 0.06 0.00 0.04 0.00 0.00 61.00 61.90 1bjk s PRO 135 Cb 0.00 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1bjk s PRO 135 CO 0.00 -1.41 -0.13 0.14 0.04 0.00 0.00 177.00 175.64 1bjk s VAL 136 N -3.09 1.33 0.00 -0.36 -7.23 0.21 -0.76 120.40 110.51 1bjk s VAL 136 Ca 0.60 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 1bjk s VAL 136 Cb -0.14 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 35.12 1bjk s VAL 136 CO 0.55 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 175.42 1bjk n GLY 137 N 0.23 2.75 0.04 2.32 0.00 -1.26 -0.95 105.19 108.32 1bjk n GLY 137 Ca -0.13 -1.33 0.01 0.00 0.00 0.00 0.00 46.02 44.57 1bjk n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bjk n LYS 138 N 1.56 1.34 0.02 1.61 5.02 -1.26 -4.72 118.16 121.73 1bjk n LYS 138 Ca 0.00 -1.09 0.11 0.00 -2.02 0.00 0.00 58.31 55.31 1bjk n LYS 138 Cb 0.00 -0.77 -0.05 0.00 -0.02 0.00 0.00 35.03 34.19 1bjk n LYS 138 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1bjk n GLU 139 N -0.30 0.34 -0.64 1.97 4.07 -1.26 -4.38 120.64 120.44 1bjk n GLU 139 Ca 0.01 -0.04 0.06 0.00 -0.06 0.00 0.00 57.16 57.13 1bjk n GLU 139 Cb 0.42 -1.57 0.17 0.00 -0.06 0.00 0.00 31.44 30.40 1bjk n GLU 139 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 1bjk n MET 140 N -1.98 1.30 -2.76 5.31 2.81 -1.26 -4.59 117.12 115.95 1bjk n MET 140 Ca 0.01 -2.98 -0.34 0.00 -1.81 0.00 0.00 57.70 52.58 1bjk n MET 140 Cb 0.45 -1.37 -0.06 0.00 -0.71 0.00 0.00 33.22 31.53 1bjk n MET 140 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1bjk s LEU 141 N -2.69 4.04 -0.00 4.03 1.43 -1.26 -4.24 118.68 119.99 1bjk s LEU 141 Ca 0.36 1.78 -0.20 0.00 -1.03 0.00 0.00 54.13 55.03 1bjk s LEU 141 Cb 0.35 -4.39 -0.05 0.00 0.03 0.00 0.00 46.19 42.13 1bjk s LEU 141 CO -0.07 -0.34 0.58 -0.22 0.23 0.00 0.00 176.35 176.53 1bjk s LEU 142 N -2.90 4.42 0.47 1.79 2.96 -1.26 -5.05 118.68 119.11 1bjk s LEU 142 Ca 0.59 1.15 -0.24 0.00 -0.22 0.00 0.00 54.13 55.42 1bjk s LEU 142 Cb -0.13 -2.90 -0.07 0.00 0.50 0.00 0.00 46.19 43.59 1bjk s LEU 142 CO 0.17 0.12 1.30 -2.16 -1.32 0.00 0.00 176.35 174.46 1bjk s PRO 143 N -0.27 3.61 -0.11 0.98 0.04 -1.26 -4.90 135.00 133.09 1bjk s PRO 143 Ca 0.30 2.11 0.04 0.00 0.04 0.00 0.00 61.00 63.49 1bjk s PRO 143 Cb -0.18 -2.49 0.29 0.00 0.04 0.00 0.00 34.50 32.16 1bjk s PRO 143 CO 0.17 -0.77 1.07 -3.47 0.04 0.00 0.00 177.00 174.04 1bjk n ASP 144 N -0.45 2.91 -4.52 6.66 -0.08 -1.26 -4.80 116.55 115.00 1bjk n ASP 144 Ca 0.07 -2.42 -0.42 0.00 -1.51 0.00 0.00 54.79 50.51 1bjk n ASP 144 Cb 0.45 -0.59 -0.08 0.00 2.34 0.00 0.00 41.12 43.25 1bjk n ASP 144 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1bjk s ASP 145 N -0.15 6.28 0.00 1.67 2.15 -1.26 -4.94 116.67 120.42 1bjk s ASP 145 Ca 0.20 -0.32 0.21 0.00 0.43 0.00 0.00 52.55 53.08 1bjk s ASP 145 Cb 0.16 -2.27 1.12 0.00 -0.30 0.00 0.00 42.92 41.63 1bjk s ASP 145 CO 0.05 -0.61 1.68 -2.65 -0.17 0.00 0.00 175.17 173.47 1bjk n PRO 146 N 5.87 0.39 -0.25 4.34 -0.02 -1.26 -1.95 135.00 142.12 1bjk n PRO 146 Ca -0.04 0.07 0.10 0.00 -2.02 0.00 0.00 63.50 61.60 1bjk n PRO 146 Cb 0.48 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.69 1bjk n PRO 146 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1bjk n GLU 147 N -1.22 2.60 -2.23 -0.52 1.02 -1.26 -0.81 120.64 118.22 1bjk n GLU 147 Ca 0.11 -2.31 -0.36 0.00 -0.02 0.00 0.00 57.16 54.58 1bjk n GLU 147 Cb 0.15 -1.45 -0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1bjk n GLU 147 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bjk s ALA 148 N -1.10 2.87 -0.01 0.62 0.00 -0.82 -4.61 121.76 118.71 1bjk s ALA 148 Ca 0.37 0.92 -0.14 0.00 0.00 0.00 0.00 51.96 53.11 1bjk s ALA 148 Cb 0.20 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.88 1bjk s ALA 148 CO 0.27 -0.73 0.39 -0.80 0.00 0.00 0.00 175.76 174.89 1bjk s ASN 149 N -1.47 6.79 -0.24 0.00 0.02 -1.05 -3.10 114.94 115.89 1bjk s ASN 149 Ca 0.67 0.94 -0.01 0.00 -1.02 0.00 0.00 52.86 53.44 1bjk s ASN 149 Cb -0.28 -2.24 0.07 0.00 0.02 0.00 0.00 41.25 38.82 1bjk s ASN 149 CO 0.33 0.33 0.03 -0.69 0.02 0.00 0.00 177.10 177.11 1bjk s VAL 150 N -1.06 0.91 -0.14 1.60 1.01 0.08 -0.84 120.40 121.96 1bjk s VAL 150 Ca 0.23 -0.98 -0.19 0.00 0.00 0.00 0.00 61.98 61.05 1bjk s VAL 150 Cb -0.16 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1bjk s VAL 150 CO 0.13 -0.31 0.50 -0.63 0.00 0.00 0.00 175.10 174.80 1bjk s ILE 151 N 1.66 5.15 -0.16 2.22 1.01 -0.04 -1.54 121.20 129.51 1bjk s ILE 151 Ca 0.01 0.98 0.01 0.00 0.00 0.00 0.00 60.65 61.64 1bjk s ILE 151 Cb -0.18 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.48 1bjk s ILE 151 CO -0.12 0.27 -0.16 -0.04 0.00 0.00 0.00 174.94 174.90 1bjk s MET 152 N 0.96 2.47 -0.30 2.79 -1.94 0.03 -0.37 119.30 122.93 1bjk s MET 152 Ca 0.26 -0.63 0.03 0.00 -1.71 0.00 0.00 55.69 53.65 1bjk s MET 152 Cb -0.15 -2.22 0.08 0.00 2.01 0.00 0.00 34.83 34.55 1bjk s MET 152 CO 0.10 -0.23 -0.01 -0.51 -0.01 0.00 0.00 175.02 174.37 1bjk s LEU 153 N 1.43 4.04 0.07 -0.03 1.43 0.43 -1.11 118.68 124.94 1bjk s LEU 153 Ca 0.05 -1.81 0.07 0.00 -1.03 0.00 0.00 54.13 51.41 1bjk s LEU 153 Cb -0.13 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 1bjk s LEU 153 CO -0.11 -0.31 -0.20 0.00 0.23 0.00 0.00 176.35 175.96 1bjk s ALA 154 N 1.04 1.68 -0.03 4.21 0.00 -0.53 -1.61 121.76 126.51 1bjk s ALA 154 Ca 0.03 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.90 1bjk s ALA 154 Cb -0.19 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.67 1bjk s ALA 154 CO -0.08 0.34 -0.08 0.95 0.00 0.00 0.00 175.76 176.90 1bjk s THR 155 N -1.01 0.74 0.00 0.00 -4.23 -0.83 -1.51 115.64 108.80 1bjk s THR 155 Ca 0.06 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 1bjk s THR 155 Cb -0.09 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 73.06 1bjk s THR 155 CO 0.03 0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 1bjk n GLY 156 N 3.48 3.95 0.00 3.99 0.00 -1.05 -1.02 105.19 114.53 1bjk n GLY 156 Ca -0.20 0.06 0.11 0.00 0.00 0.00 0.00 46.02 45.99 1bjk n GLY 156 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bjk n THR 157 N 0.00 0.45 0.08 2.61 -2.24 -1.26 -2.52 114.28 111.40 1bjk n THR 157 Ca 0.00 0.11 0.01 0.00 -2.27 0.00 0.00 64.05 61.90 1bjk n THR 157 Cb 0.00 -0.74 0.05 0.00 -2.10 0.00 0.00 70.33 67.54 1bjk n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bjk n GLY 158 N 0.67 -0.55 0.31 3.38 0.00 -0.19 -1.48 105.19 107.33 1bjk n GLY 158 Ca 0.07 -0.01 0.20 0.00 0.00 0.00 0.00 46.02 46.28 1bjk n GLY 158 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bjk h ILE 159 N 0.00 0.02 0.17 -0.61 6.09 -1.68 -3.36 117.51 118.14 1bjk h ILE 159 Ca 0.00 -0.24 0.01 0.00 -1.37 0.00 0.00 64.86 63.26 1bjk h ILE 159 Cb 0.04 1.23 -0.03 0.00 0.47 0.00 0.00 36.82 38.53 1bjk h ILE 159 CO 0.00 0.00 -0.26 0.00 -3.07 0.00 0.00 178.15 174.83 1bjk h ALA 160 N 2.00 -0.47 -0.86 0.18 0.00 -1.55 0.39 119.26 118.94 1bjk h ALA 160 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1bjk h ALA 160 Cb 0.23 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1bjk h ALA 160 CO 0.00 -0.81 0.49 -1.35 0.00 0.00 0.00 179.25 177.59 1bjk h PRO 161 N -0.49 1.19 -0.58 0.00 0.11 -1.71 -2.75 132.00 127.76 1bjk h PRO 161 Ca 0.02 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 1bjk h PRO 161 Cb 0.50 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 1bjk h PRO 161 CO -0.12 0.85 0.32 0.52 -0.21 0.00 0.00 178.00 179.37 1bjk h MET 162 N 1.20 0.80 -0.53 1.05 2.86 -1.52 -1.34 114.93 117.45 1bjk h MET 162 Ca 0.31 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.80 1bjk h MET 162 Cb -0.00 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 1bjk h MET 162 CO -0.05 0.59 0.05 -0.09 1.06 0.00 0.00 176.91 178.47 1bjk h ARG 163 N 0.81 0.86 -0.40 1.72 2.43 -0.66 -0.91 114.38 118.23 1bjk h ARG 163 Ca 0.21 -0.22 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 1bjk h ARG 163 Cb 0.02 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1bjk h ARG 163 CO -0.03 0.83 -0.22 1.79 -1.51 0.00 0.00 179.97 180.82 1bjk h THR 164 N 0.81 1.27 0.29 0.20 1.35 -1.15 -0.95 112.91 114.73 1bjk h THR 164 Ca 0.16 -1.34 -0.01 0.00 -0.55 0.00 0.00 66.41 64.67 1bjk h THR 164 Cb 0.41 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1bjk h THR 164 CO 0.01 0.45 -0.14 1.88 -0.25 0.00 0.00 175.52 177.47 1bjk h TYR 165 N 0.70 -0.37 -0.62 4.73 0.05 -1.16 -2.75 116.97 117.56 1bjk h TYR 165 Ca 0.10 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 1bjk h TYR 165 Cb 0.74 0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.57 1bjk h TYR 165 CO 0.04 -0.06 0.21 -0.07 -1.05 0.00 0.00 178.16 177.23 1bjk h LEU 166 N -0.68 0.85 -0.34 3.88 3.38 -1.12 -0.71 115.31 120.57 1bjk h LEU 166 Ca -0.04 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1bjk h LEU 166 Cb 0.47 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1bjk h LEU 166 CO 0.07 0.78 0.00 -0.50 0.09 0.00 0.00 178.44 178.88 1bjk h TRP 167 N 0.90 0.66 -0.86 1.13 -0.00 -1.26 -0.01 115.95 116.51 1bjk h TRP 167 Ca 0.21 -0.11 0.04 0.00 -0.00 0.00 0.00 58.89 59.03 1bjk h TRP 167 Cb 0.23 -0.17 -0.05 0.00 -0.00 0.00 0.00 29.16 29.16 1bjk h TRP 167 CO 0.02 0.71 0.56 -0.09 -0.00 0.00 0.00 178.44 179.64 1bjk h ARG 168 N 0.41 1.01 -0.11 0.49 2.43 -1.12 -2.18 114.38 115.31 1bjk h ARG 168 Ca 0.10 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 59.05 1bjk h ARG 168 Cb 0.45 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1bjk h ARG 168 CO 0.02 0.67 -0.55 0.52 -1.51 0.00 0.00 179.97 179.11 1bjk h MET 169 N 1.04 0.56 0.00 0.20 2.86 -0.81 -3.41 114.93 115.36 1bjk h MET 169 Ca 0.35 -0.46 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1bjk h MET 169 Cb 0.09 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1bjk h MET 169 CO -0.11 1.09 -0.03 1.19 1.06 0.00 0.00 176.91 180.11 1bjk n PHE 170 N -4.19 0.00 -2.63 -0.22 3.72 -0.05 -4.44 117.46 109.65 1bjk n PHE 170 Ca -0.08 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.91 1bjk n PHE 170 Cb 0.63 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.13 1bjk n PHE 170 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1bjk s LYS 171 N -0.82 4.61 0.26 -1.08 -0.14 -0.83 -4.96 119.74 116.77 1bjk s LYS 171 Ca 0.00 1.55 -0.03 0.00 -1.36 0.00 0.00 55.97 56.13 1bjk s LYS 171 Cb 0.00 -3.37 0.46 0.00 -1.68 0.00 0.00 37.83 33.24 1bjk s LYS 171 CO 0.00 0.06 1.80 -0.44 -0.76 0.00 0.00 175.35 176.01 1bjk h ASP 172 N 5.91 0.69 0.26 2.83 3.32 -1.95 -0.68 116.42 126.80 1bjk h ASP 172 Ca -0.43 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 56.54 1bjk h ASP 172 Cb 1.21 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1bjk h ASP 172 CO 0.74 0.37 -0.57 0.00 -1.72 0.00 0.00 179.24 178.06 1bjk h ALA 173 N 1.49 0.84 -0.25 3.45 0.00 -1.95 -1.61 119.26 121.24 1bjk h ALA 173 Ca 0.43 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1bjk h ALA 173 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1bjk h ALA 173 CO -0.28 0.70 -0.10 0.93 0.00 0.00 0.00 179.25 180.51 1bjk h GLU 174 N 0.25 0.50 -0.18 0.00 4.39 -1.68 -2.17 114.58 115.69 1bjk h GLU 174 Ca 0.00 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.44 1bjk h GLU 174 Cb 1.07 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1bjk h GLU 174 CO 0.09 0.75 -0.11 0.00 -1.16 0.00 0.00 179.01 178.59 1bjk h ARG 175 N 0.23 0.28 -0.08 2.33 3.08 -0.95 0.26 114.38 119.54 1bjk h ARG 175 Ca 0.06 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1bjk h ARG 175 Cb 0.59 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1bjk h ARG 175 CO 0.03 0.40 -0.47 0.00 -1.07 0.00 0.00 179.97 178.86 1bjk h ALA 176 N 1.63 1.06 0.00 0.04 0.00 -1.24 -3.20 119.26 117.55 1bjk h ALA 176 Ca 0.05 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 1bjk h ALA 176 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1bjk h ALA 176 CO 0.02 0.63 -1.17 0.00 0.00 0.00 0.00 179.25 178.73 1bjk n ALA 177 N -2.47 2.28 -3.53 0.00 0.00 -0.24 -4.46 120.51 112.10 1bjk n ALA 177 Ca -0.02 -0.36 -0.31 0.00 0.00 0.00 0.00 53.44 52.75 1bjk n ALA 177 Cb 0.52 -1.05 -0.08 0.00 0.00 0.00 0.00 19.45 18.85 1bjk n ALA 177 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1bjk n ASN 178 N -2.76 4.02 0.28 0.00 3.02 0.77 -4.91 115.26 115.68 1bjk n ASN 178 Ca -0.04 -3.32 0.13 0.00 -0.03 0.00 0.00 54.58 51.32 1bjk n ASN 178 Cb 0.67 -0.85 0.83 0.00 -0.61 0.00 0.00 39.78 39.81 1bjk n ASN 178 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1bjk h PRO 179 N 5.01 0.00 0.00 3.52 0.11 -1.78 -1.69 132.00 137.17 1bjk h PRO 179 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1bjk h PRO 179 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1bjk h PRO 179 CO 0.88 0.04 0.00 1.05 -0.21 0.00 0.00 178.00 179.76 1bjk h GLU 180 N 0.00 0.00 -3.61 1.05 9.09 -1.91 -3.40 114.58 115.79 1bjk h GLU 180 Ca -0.00 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.80 1bjk h GLU 180 Cb 0.11 0.00 -0.40 0.00 -1.65 0.00 0.00 28.75 26.81 1bjk h GLU 180 CO 0.01 0.00 -0.74 -0.47 0.05 0.00 0.00 179.01 177.85 1bjk s TYR 181 N -3.16 2.18 -0.68 2.06 5.04 -0.64 -4.96 117.35 117.19 1bjk s TYR 181 Ca 0.09 -2.17 0.02 0.00 -2.44 0.00 0.00 57.07 52.57 1bjk s TYR 181 Cb 0.11 -2.00 0.17 0.00 0.35 0.00 0.00 41.96 40.59 1bjk s TYR 181 CO 0.57 -0.86 0.48 -0.65 -1.34 0.00 0.00 175.55 173.74 1bjk s GLN 182 N 1.14 2.52 0.12 4.97 -1.52 -1.26 -4.86 119.66 120.76 1bjk s GLN 182 Ca 0.12 -2.96 -0.34 0.00 -1.95 0.00 0.00 55.36 50.23 1bjk s GLN 182 Cb -0.20 -3.57 -0.13 0.00 -0.22 0.00 0.00 33.01 28.89 1bjk s GLN 182 CO -0.15 -1.21 1.66 0.34 -0.25 0.00 0.00 175.29 175.68 1bjk n PHE 183 N 2.68 2.34 -1.05 0.91 7.35 -1.26 -4.87 117.46 123.56 1bjk n PHE 183 Ca 0.13 0.17 0.01 0.00 -0.76 0.00 0.00 57.45 57.01 1bjk n PHE 183 Cb 0.35 -2.59 0.01 0.00 0.35 0.00 0.00 39.48 37.61 1bjk n PHE 183 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1bjk n LYS 184 N 4.19 0.66 0.00 -4.13 2.85 0.01 -5.04 118.16 116.71 1bjk n LYS 184 Ca 0.18 -0.97 0.00 0.00 -1.05 0.00 0.00 58.31 56.47 1bjk n LYS 184 Cb 0.30 -0.68 0.00 0.00 -0.65 0.00 0.00 35.03 34.00 1bjk n LYS 184 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1bjk n GLY 185 N -0.21 -0.05 3.21 2.58 0.00 -0.68 -4.88 105.19 105.15 1bjk n GLY 185 Ca 0.01 -1.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 1bjk n GLY 185 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1bjk s PHE 186 N 0.15 1.80 0.01 1.61 5.36 -1.18 -4.62 117.98 121.12 1bjk s PHE 186 Ca 0.00 -0.35 0.01 0.00 -0.96 0.00 0.00 56.93 55.63 1bjk s PHE 186 Cb 0.00 -1.16 -0.01 0.00 -0.34 0.00 0.00 43.02 41.51 1bjk s PHE 186 CO 0.00 -0.04 -0.04 -1.54 -1.46 0.00 0.00 175.22 172.14 1bjk s SER 187 N -0.44 0.45 -0.10 6.13 1.04 -0.12 -0.74 113.70 119.92 1bjk s SER 187 Ca 0.07 -0.26 -0.03 0.00 0.48 0.00 0.00 55.95 56.21 1bjk s SER 187 Cb -0.08 0.01 0.04 0.00 0.10 0.00 0.00 66.02 66.09 1bjk s SER 187 CO -0.01 -0.09 0.06 0.86 0.98 0.00 0.00 173.24 175.04 1bjk s TRP 188 N -0.65 0.28 -0.27 5.02 -0.11 -0.59 -1.15 118.94 121.46 1bjk s TRP 188 Ca -0.05 -0.07 -0.11 0.00 1.22 0.00 0.00 56.10 57.10 1bjk s TRP 188 Cb -0.05 -0.64 -0.05 0.00 -1.50 0.00 0.00 33.47 31.23 1bjk s TRP 188 CO -0.00 -0.34 0.18 -1.17 -4.62 0.00 0.00 176.95 170.99 1bjk s LEU 189 N 2.10 4.00 -0.22 5.86 2.96 -0.15 -0.79 118.68 132.45 1bjk s LEU 189 Ca 0.04 -0.00 -0.08 0.00 -0.22 0.00 0.00 54.13 53.87 1bjk s LEU 189 Cb -0.14 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1bjk s LEU 189 CO -0.06 -0.03 0.08 -0.69 -1.32 0.00 0.00 176.35 174.34 1bjk s VAL 190 N 1.62 4.65 -0.15 1.68 1.01 -0.27 -0.49 120.40 128.45 1bjk s VAL 190 Ca 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 1bjk s VAL 190 Cb -0.16 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 33.13 1bjk s VAL 190 CO 0.09 0.39 -0.03 0.12 0.00 0.00 0.00 175.10 175.67 1bjk s PHE 191 N 1.04 1.41 -0.24 5.22 5.36 0.15 -1.46 117.98 129.46 1bjk s PHE 191 Ca 0.04 -0.88 -0.09 0.00 -0.96 0.00 0.00 56.93 55.04 1bjk s PHE 191 Cb -0.14 -1.18 -0.04 0.00 -0.34 0.00 0.00 43.02 41.32 1bjk s PHE 191 CO 0.03 -0.56 0.13 0.20 -1.46 0.00 0.00 175.22 173.56 1bjk s GLY 192 N 1.73 1.91 0.10 13.12 0.00 -0.57 -0.71 107.32 122.91 1bjk s GLY 192 Ca 0.01 -0.96 -0.04 0.00 0.00 0.00 0.00 44.72 43.73 1bjk s GLY 192 CO -0.07 0.43 0.09 -1.34 0.00 0.00 0.00 173.10 172.21 1bjk s VAL 193 N 1.22 0.14 0.13 1.40 -7.23 -0.66 -2.52 120.40 112.88 1bjk s VAL 193 Ca 0.06 -1.66 -0.11 0.00 -1.81 0.00 0.00 61.98 58.47 1bjk s VAL 193 Cb -0.14 -1.72 -0.08 0.00 0.56 0.00 0.00 36.38 35.00 1bjk s VAL 193 CO 0.05 -0.63 1.42 -0.65 -0.31 0.00 0.00 175.10 174.98 1bjk h PRO 194 N 2.87 0.87 -4.45 4.82 0.11 -1.91 -2.67 132.00 131.64 1bjk h PRO 194 Ca -0.34 -0.54 -0.20 0.00 0.11 0.00 0.00 66.00 65.04 1bjk h PRO 194 Cb 1.19 0.06 -0.15 0.00 0.11 0.00 0.00 31.00 32.21 1bjk h PRO 194 CO 0.59 1.17 -0.62 0.95 -0.21 0.00 0.00 178.00 179.88 1bjk s THR 195 N -4.16 0.07 0.24 -1.15 -4.23 -1.26 -1.34 115.64 103.81 1bjk s THR 195 Ca -0.10 -1.92 -0.03 0.00 -1.18 0.00 0.00 61.69 58.46 1bjk s THR 195 Cb 0.10 -2.18 0.06 0.00 1.34 0.00 0.00 72.50 71.82 1bjk s THR 195 CO 0.89 -0.31 1.68 0.74 -0.54 0.00 0.00 174.62 177.08 1bjk h THR 196 N 2.77 1.26 0.00 3.99 2.02 -1.95 -1.13 112.91 119.87 1bjk h THR 196 Ca -0.35 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.60 1bjk h THR 196 Cb 1.22 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1bjk h THR 196 CO 0.57 0.41 0.00 -0.65 0.37 0.00 0.00 175.52 176.22 1bjk h PRO 197 N 0.66 0.00 -0.01 6.66 0.11 -1.88 -2.52 132.00 135.01 1bjk h PRO 197 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1bjk h PRO 197 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1bjk h PRO 197 CO 0.05 0.00 -0.21 0.09 -0.21 0.00 0.00 178.00 177.72 1bjk n ASN 198 N -2.84 1.28 -4.55 -2.05 4.13 -0.43 -1.73 115.26 109.07 1bjk n ASN 198 Ca -0.02 -1.12 -0.37 0.00 1.68 0.00 0.00 54.58 54.75 1bjk n ASN 198 Cb 0.07 0.13 -0.03 0.00 -1.54 0.00 0.00 39.78 38.41 1bjk n ASN 198 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1bjk s ILE 199 N -2.37 3.37 0.13 2.41 1.01 -0.95 -4.91 121.20 119.90 1bjk s ILE 199 Ca 0.27 0.10 -0.31 0.00 0.00 0.00 0.00 60.65 60.71 1bjk s ILE 199 Cb 0.20 -3.96 -0.09 0.00 0.01 0.00 0.00 42.46 38.61 1bjk s ILE 199 CO 0.48 -0.93 1.54 -0.76 0.00 0.00 0.00 174.94 175.26 1bjk s LEU 200 N 9.21 4.37 -1.41 2.97 1.43 -1.26 -2.65 118.68 131.33 1bjk s LEU 200 Ca 0.67 2.51 0.00 0.00 -1.03 0.00 0.00 54.13 56.28 1bjk s LEU 200 Cb -0.12 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1bjk s LEU 200 CO 0.17 -0.79 0.00 -1.22 0.23 0.00 0.00 176.35 174.74 1bjk n TYR 201 N 4.28 -0.24 -0.23 0.29 4.01 -1.26 -4.91 117.16 119.10 1bjk n TYR 201 Ca 0.14 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.89 1bjk n TYR 201 Cb 0.40 -2.71 0.09 0.00 -0.31 0.00 0.00 39.34 36.81 1bjk n TYR 201 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1bjk h LYS 202 N 0.00 0.03 -0.42 -0.72 3.64 -1.90 -0.68 116.57 116.51 1bjk h LYS 202 Ca -0.31 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.99 1bjk h LYS 202 Cb 1.04 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1bjk h LYS 202 CO 0.42 0.02 -0.05 0.93 -2.27 0.00 0.00 179.45 178.49 1bjk h GLU 203 N 0.03 0.71 0.00 1.90 3.07 -1.91 -1.71 114.58 116.67 1bjk h GLU 203 Ca 0.34 -0.20 -0.20 0.00 -0.50 0.00 0.00 59.36 58.79 1bjk h GLU 203 Cb 0.54 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 1bjk h GLU 203 CO -0.67 0.76 -1.01 0.93 -1.40 0.00 0.00 179.01 177.62 1bjk h GLU 204 N 0.66 0.00 -0.46 2.33 5.08 -1.60 -2.28 114.58 118.30 1bjk h GLU 204 Ca 0.12 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1bjk h GLU 204 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1bjk h GLU 204 CO 0.03 0.88 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.74 1bjk h LEU 205 N 0.00 0.89 -0.31 1.33 3.38 -1.01 -2.73 115.31 116.87 1bjk h LEU 205 Ca -0.04 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.49 1bjk h LEU 205 Cb 1.74 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 1bjk h LEU 205 CO 0.12 1.04 -0.41 -0.33 0.09 0.00 0.00 178.44 178.95 1bjk h GLU 206 N 0.73 0.00 -0.41 1.13 5.08 -1.34 -1.93 114.58 117.84 1bjk h GLU 206 Ca 0.12 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 1bjk h GLU 206 Cb 0.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1bjk h GLU 206 CO 0.04 0.41 -0.22 1.49 -1.00 0.00 0.00 179.01 179.74 1bjk h GLU 207 N 0.00 0.87 -0.42 2.33 4.81 -1.41 -2.36 114.58 118.39 1bjk h GLU 207 Ca -0.00 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 58.81 1bjk h GLU 207 Cb 1.20 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1bjk h GLU 207 CO 0.05 1.03 0.16 0.82 -0.73 0.00 0.00 179.01 180.34 1bjk h ILE 208 N 0.68 1.21 0.00 2.32 2.04 -1.27 -1.90 117.51 120.59 1bjk h ILE 208 Ca 0.09 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 1bjk h ILE 208 Cb 0.78 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1bjk h ILE 208 CO 0.06 0.24 -0.01 -0.61 0.00 0.00 0.00 178.15 177.83 1bjk h GLN 209 N 0.54 0.00 0.00 2.37 4.15 -1.28 0.16 115.11 121.05 1bjk h GLN 209 Ca 0.14 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.29 1bjk h GLN 209 Cb 0.22 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.86 1bjk h GLN 209 CO -0.01 0.01 -1.52 0.37 -1.93 0.00 0.00 178.83 175.76 1bjk h GLN 210 N 0.00 0.00 0.00 1.69 5.75 -1.12 -3.25 115.11 118.17 1bjk h GLN 210 Ca -0.00 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.31 1bjk h GLN 210 Cb 0.34 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 1bjk h GLN 210 CO 0.00 0.63 -0.92 0.87 -2.65 0.00 0.00 178.83 176.76 1bjk h LYS 211 N 0.00 0.00 -2.10 1.69 1.57 -0.51 -3.39 116.57 113.83 1bjk h LYS 211 Ca -0.21 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.03 1bjk h LYS 211 Cb 1.95 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.85 1bjk h LYS 211 CO 0.09 0.92 -0.97 0.66 -0.57 0.00 0.00 179.45 179.59 1bjk n TYR 212 N -3.37 1.54 0.29 -1.35 4.01 -0.04 -4.93 117.16 113.29 1bjk n TYR 212 Ca 0.00 -3.86 0.17 0.00 -0.16 0.00 0.00 57.90 54.04 1bjk n TYR 212 Cb 0.89 -0.44 0.83 0.00 -0.31 0.00 0.00 39.34 40.31 1bjk n TYR 212 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1bjk h PRO 213 N 3.25 0.00 0.00 -0.72 0.13 -1.77 -0.45 132.00 132.44 1bjk h PRO 213 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1bjk h PRO 213 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1bjk h PRO 213 CO 0.62 0.06 -0.74 -0.25 -0.23 0.00 0.00 178.00 177.46 1bjk n ASP 214 N -3.31 0.66 -0.00 1.44 8.00 -1.26 -4.30 116.55 117.79 1bjk n ASP 214 Ca -0.01 -0.44 0.02 0.00 0.71 0.00 0.00 54.79 55.06 1bjk n ASP 214 Cb 0.23 0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 41.86 1bjk n ASP 214 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1bjk n ASN 215 N -1.60 0.94 -3.72 -2.24 4.13 -0.57 -4.84 115.26 107.36 1bjk n ASN 215 Ca 0.04 -0.48 -0.15 0.00 1.68 0.00 0.00 54.58 55.68 1bjk n ASN 215 Cb 0.35 1.04 -0.15 0.00 -1.54 0.00 0.00 39.78 39.48 1bjk n ASN 215 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1bjk s PHE 216 N -1.55 -0.15 -0.03 3.10 5.36 -0.28 -0.94 117.98 123.48 1bjk s PHE 216 Ca 0.01 0.50 0.07 0.00 -0.96 0.00 0.00 56.93 56.54 1bjk s PHE 216 Cb 0.03 -0.16 -0.02 0.00 -0.34 0.00 0.00 43.02 42.53 1bjk s PHE 216 CO 0.16 -0.20 -0.23 0.50 -1.46 0.00 0.00 175.22 174.00 1bjk s ARG 217 N 1.54 2.26 -0.11 10.12 3.52 -0.30 -4.59 118.95 131.38 1bjk s ARG 217 Ca -0.05 -0.86 0.02 0.00 -0.13 0.00 0.00 55.73 54.71 1bjk s ARG 217 Cb -0.12 -2.15 0.01 0.00 -1.56 0.00 0.00 34.95 31.14 1bjk s ARG 217 CO -0.06 0.56 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.65 1bjk s LEU 218 N -0.60 1.82 -0.08 -0.88 2.96 -1.26 -0.97 118.68 119.67 1bjk s LEU 218 Ca 0.09 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1bjk s LEU 218 Cb -0.10 -1.18 0.02 0.00 0.50 0.00 0.00 46.19 45.43 1bjk s LEU 218 CO -0.00 0.04 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.08 1bjk s THR 219 N 0.92 0.99 0.08 3.68 2.01 0.36 -4.99 115.64 118.68 1bjk s THR 219 Ca -0.07 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.59 1bjk s THR 219 Cb -0.15 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1bjk s THR 219 CO -0.01 0.34 0.18 -0.31 -0.69 0.00 0.00 174.62 174.13 1bjk s TYR 220 N 1.06 3.42 -0.29 4.92 2.02 -1.26 -0.68 117.35 126.53 1bjk s TYR 220 Ca -0.08 0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.81 1bjk s TYR 220 Cb -0.14 -1.70 0.09 0.00 -0.40 0.00 0.00 41.96 39.80 1bjk s TYR 220 CO -0.01 0.56 0.04 0.00 -1.57 0.00 0.00 175.55 174.57 1bjk s ALA 221 N -1.52 2.08 -0.39 3.71 0.00 0.11 -4.88 121.76 120.87 1bjk s ALA 221 Ca 0.33 -1.83 -0.04 0.00 0.00 0.00 0.00 51.96 50.42 1bjk s ALA 221 Cb -0.12 -1.66 0.09 0.00 0.00 0.00 0.00 23.12 21.42 1bjk s ALA 221 CO 0.26 -1.52 0.17 0.42 0.00 0.00 0.00 175.76 175.09 1bjk s ILE 222 N 1.33 3.46 0.22 0.00 1.01 -1.25 -1.65 121.20 124.32 1bjk s ILE 222 Ca 0.05 -1.73 0.19 0.00 0.00 0.00 0.00 60.65 59.17 1bjk s ILE 222 Cb -0.18 -3.22 0.15 0.00 0.01 0.00 0.00 42.46 39.22 1bjk s ILE 222 CO -0.14 -0.51 1.79 0.77 0.00 0.00 0.00 174.94 176.85 1bjk h SER 223 N 8.13 0.00 0.24 3.58 4.64 -1.30 0.25 113.55 129.09 1bjk h SER 223 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1bjk h SER 223 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1bjk h SER 223 CO 0.67 0.34 -0.28 0.54 -0.87 0.00 0.00 176.83 177.23 1bjk n ARG 224 N -3.60 0.80 0.00 4.77 5.12 -0.45 -4.07 116.66 119.24 1bjk n ARG 224 Ca -0.01 -0.48 0.00 0.00 -1.93 0.00 0.00 57.85 55.43 1bjk n ARG 224 Cb 0.46 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 1bjk n ARG 224 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1bjk n GLU 225 N -0.68 3.93 -4.36 5.56 1.02 -0.85 -5.06 120.64 120.20 1bjk n GLU 225 Ca 0.12 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.06 1bjk n GLU 225 Cb 0.35 -0.63 -0.14 0.00 -0.02 0.00 0.00 31.44 31.01 1bjk n GLU 225 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1bjk s GLN 226 N -1.19 0.90 -0.04 3.49 -0.21 0.02 -5.06 119.66 117.57 1bjk s GLN 226 Ca 0.00 -0.67 0.01 0.00 0.02 0.00 0.00 55.36 54.71 1bjk s GLN 226 Cb 0.00 -0.88 -0.03 0.00 1.00 0.00 0.00 33.01 33.09 1bjk s GLN 226 CO 0.00 0.22 -0.04 0.15 -2.12 0.00 0.00 175.29 173.51 1bjk s LYS 227 N -0.96 2.77 1.01 2.91 -0.14 -1.26 -0.94 119.74 123.13 1bjk s LYS 227 Ca 0.01 -0.57 -0.16 0.00 -1.36 0.00 0.00 55.97 53.89 1bjk s LYS 227 Cb -0.07 -2.64 0.21 0.00 -1.68 0.00 0.00 37.83 33.65 1bjk s LYS 227 CO 0.01 0.65 1.24 0.54 -0.76 0.00 0.00 175.35 177.03 1bjk s ASN 228 N -1.14 2.64 0.61 2.83 2.20 -0.14 -4.72 114.94 117.22 1bjk s ASN 228 Ca 0.15 0.45 0.40 0.00 -0.94 0.00 0.00 52.86 52.92 1bjk s ASN 228 Cb -0.11 -0.61 1.96 0.00 -2.00 0.00 0.00 41.25 40.49 1bjk s ASN 228 CO 0.05 -3.04 2.20 -0.65 -2.94 0.00 0.00 177.10 172.72 1bjk h PRO 229 N -1.85 0.00 -0.01 3.55 0.11 -1.97 -2.57 132.00 129.27 1bjk h PRO 229 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1bjk h PRO 229 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1bjk h PRO 229 CO 0.41 0.00 -0.10 1.04 -0.21 0.00 0.00 178.00 179.14 1bjk n GLN 230 N -3.07 0.96 -0.30 1.05 3.00 -1.26 -4.91 117.38 112.85 1bjk n GLN 230 Ca -0.01 -0.40 0.00 0.00 -0.01 0.00 0.00 57.00 56.58 1bjk n GLN 230 Cb 0.17 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.92 1bjk n GLN 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1bjk n GLY 231 N 1.23 0.77 2.93 1.08 0.00 -0.97 -5.06 105.19 105.18 1bjk n GLY 231 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1bjk n GLY 231 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bjk n GLY 232 N -2.00 -0.86 3.78 -0.02 0.00 -1.26 -4.81 105.19 100.01 1bjk n GLY 232 Ca 0.00 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.86 1bjk n GLY 232 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bjk s ARG 233 N -5.01 4.28 -0.28 1.61 0.52 -1.26 -0.97 118.95 117.84 1bjk s ARG 233 Ca 0.55 1.56 -0.29 0.00 -0.52 0.00 0.00 55.73 57.03 1bjk s ARG 233 Cb -0.02 -2.68 -0.01 0.00 0.52 0.00 0.00 34.95 32.76 1bjk s ARG 233 CO 0.38 -0.05 1.43 1.41 0.02 0.00 0.00 175.30 178.49 1bjk s MET 234 N -2.27 3.84 0.45 3.54 -2.45 -0.12 -4.37 119.30 117.93 1bjk s MET 234 Ca 0.55 1.37 0.06 0.00 -1.25 0.00 0.00 55.69 56.43 1bjk s MET 234 Cb -0.24 -3.95 -0.02 0.00 1.25 0.00 0.00 34.83 31.87 1bjk s MET 234 CO 0.30 -1.23 0.24 0.71 1.05 0.00 0.00 175.02 176.09 1bjk s TYR 235 N 4.78 2.34 0.35 4.11 2.02 -1.26 -2.79 117.35 126.90 1bjk s TYR 235 Ca 0.62 -0.66 0.07 0.00 -0.37 0.00 0.00 57.07 56.73 1bjk s TYR 235 Cb -0.19 -1.95 0.65 0.00 -0.40 0.00 0.00 41.96 40.07 1bjk s TYR 235 CO 0.26 0.00 1.85 0.97 -1.57 0.00 0.00 175.55 177.07 1bjk h ILE 236 N 1.22 1.21 0.00 2.71 2.10 -1.94 -1.82 117.51 120.99 1bjk h ILE 236 Ca -0.41 -0.94 -0.05 0.00 1.08 0.00 0.00 64.86 64.54 1bjk h ILE 236 Cb 1.27 1.24 -0.01 0.00 -1.09 0.00 0.00 36.82 38.23 1bjk h ILE 236 CO 0.66 0.30 -0.22 0.06 -1.08 0.00 0.00 178.15 177.87 1bjk h GLN 237 N 0.30 0.00 -0.32 2.19 -0.00 -1.90 -1.02 115.11 114.36 1bjk h GLN 237 Ca 0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.54 1bjk h GLN 237 Cb 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.94 1bjk h GLN 237 CO 0.03 0.22 -0.48 -0.44 -0.00 0.00 0.00 178.83 178.16 1bjk h ASP 238 N 0.00 0.94 0.15 0.06 3.32 -1.70 -1.13 116.42 118.06 1bjk h ASP 238 Ca -0.00 -0.47 -0.11 0.00 0.02 0.00 0.00 57.03 56.46 1bjk h ASP 238 Cb 0.48 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1bjk h ASP 238 CO 0.03 1.26 -0.41 0.03 -1.72 0.00 0.00 179.24 178.43 1bjk h ARG 239 N 0.68 0.33 -0.28 3.56 2.47 -1.17 -1.83 114.38 118.13 1bjk h ARG 239 Ca 0.03 -0.16 -0.16 0.00 -1.26 0.00 0.00 59.98 58.44 1bjk h ARG 239 Cb 1.07 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.39 1bjk h ARG 239 CO 0.11 0.69 -0.44 0.28 0.56 0.00 0.00 179.97 181.17 1bjk h VAL 240 N 0.28 1.29 -0.19 2.04 2.07 -1.12 -2.72 116.25 117.89 1bjk h VAL 240 Ca 0.03 -1.63 -0.04 0.00 0.82 0.00 0.00 66.70 65.88 1bjk h VAL 240 Cb 0.84 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1bjk h VAL 240 CO 0.07 0.53 -0.07 0.00 0.02 0.00 0.00 177.57 178.12 1bjk h ALA 241 N 0.68 1.54 -0.23 1.67 0.00 -1.10 0.11 119.26 121.92 1bjk h ALA 241 Ca 0.03 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1bjk h ALA 241 Cb 1.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1bjk h ALA 241 CO 0.10 0.33 -0.34 1.49 0.00 0.00 0.00 179.25 180.83 1bjk h GLU 242 N 0.28 0.49 -0.18 0.00 4.81 -1.24 -3.20 114.58 115.54 1bjk h GLU 242 Ca 0.06 -0.22 -0.07 0.00 -0.13 0.00 0.00 59.36 59.00 1bjk h GLU 242 Cb 0.30 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 1bjk h GLU 242 CO 0.01 0.77 -0.14 0.72 -0.73 0.00 0.00 179.01 179.65 1bjk n HIS 243 N -4.07 0.59 -0.36 0.92 8.25 -0.83 -4.80 115.22 114.93 1bjk n HIS 243 Ca -0.01 -1.30 -0.02 0.00 -0.26 0.00 0.00 57.72 56.13 1bjk n HIS 243 Cb 0.47 -0.33 0.12 0.00 1.12 0.00 0.00 29.99 31.36 1bjk n HIS 243 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bjk h ALA 244 N 0.96 1.28 -0.22 -1.41 0.00 -0.80 -0.14 119.26 118.92 1bjk h ALA 244 Ca 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1bjk h ALA 244 Cb 1.33 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1bjk h ALA 244 CO 0.19 0.66 0.02 -0.44 0.00 0.00 0.00 179.25 179.67 1bjk h ASP 245 N 1.32 0.36 1.09 0.00 3.32 -1.86 0.10 116.42 120.75 1bjk h ASP 245 Ca 0.35 -0.28 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 1bjk h ASP 245 Cb -0.13 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1bjk h ASP 245 CO -0.07 0.55 -0.49 0.06 -1.72 0.00 0.00 179.24 177.57 1bjk h GLN 246 N 0.15 0.00 -0.46 3.56 3.07 -1.87 -1.17 115.11 118.38 1bjk h GLN 246 Ca 0.06 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.67 1bjk h GLN 246 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.90 1bjk h GLN 246 CO 0.01 0.49 -0.22 -0.07 0.09 0.00 0.00 178.83 179.12 1bjk h LEU 247 N 0.00 1.00 -0.56 0.06 3.38 -0.90 -2.36 115.31 115.93 1bjk h LEU 247 Ca -0.00 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.49 1bjk h LEU 247 Cb 1.16 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1bjk h LEU 247 CO 0.06 1.18 0.07 -0.25 0.09 0.00 0.00 178.44 179.59 1bjk h TRP 248 N 0.82 1.02 0.27 1.13 -0.00 -0.64 -1.35 115.95 117.20 1bjk h TRP 248 Ca 0.10 -0.15 -0.01 0.00 -0.00 0.00 0.00 58.89 58.83 1bjk h TRP 248 Cb 0.80 -0.28 -0.00 0.00 -0.00 0.00 0.00 29.16 29.68 1bjk h TRP 248 CO 0.05 0.90 -0.15 1.96 -0.00 0.00 0.00 178.44 181.20 1bjk h GLN 249 N 0.84 -0.38 -0.75 2.65 4.20 -1.19 -2.07 115.11 118.42 1bjk h GLN 249 Ca 0.17 0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.99 1bjk h GLN 249 Cb 0.45 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.27 1bjk h GLN 249 CO 0.02 -0.26 0.49 -0.07 -0.67 0.00 0.00 178.83 178.34 1bjk h LEU 250 N -0.40 0.62 -1.60 1.46 3.38 -1.18 -0.71 115.31 116.89 1bjk h LEU 250 Ca -0.03 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1bjk h LEU 250 Cb 0.32 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1bjk h LEU 250 CO 0.04 0.37 -0.19 0.40 0.09 0.00 0.00 178.44 179.15 1bjk h ILE 251 N 0.69 0.70 0.00 1.22 2.04 -0.58 -2.67 117.51 118.90 1bjk h ILE 251 Ca 0.34 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1bjk h ILE 251 Cb 0.42 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1bjk h ILE 251 CO -0.12 0.19 -0.11 0.11 0.00 0.00 0.00 178.15 178.21 1bjk h LYS 252 N 0.00 0.00 -6.65 2.37 1.57 -0.57 -3.43 116.57 109.86 1bjk h LYS 252 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1bjk h LYS 252 Cb 0.49 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.85 1bjk h LYS 252 CO 0.03 0.11 0.80 1.21 -0.57 0.00 0.00 179.45 181.03 1bjk s ASN 253 N -5.97 6.67 0.66 0.86 3.84 -1.01 -4.89 114.94 115.10 1bjk s ASN 253 Ca 0.01 2.57 0.43 0.00 0.21 0.00 0.00 52.86 56.08 1bjk s ASN 253 Cb 0.10 -2.60 2.36 0.00 -0.55 0.00 0.00 41.25 40.55 1bjk s ASN 253 CO 0.59 -0.73 2.36 0.06 -2.79 0.00 0.00 177.10 176.59 1bjk h GLN 254 N 6.10 0.00 -0.25 0.43 3.07 -1.88 -2.63 115.11 119.94 1bjk h GLN 254 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.30 1bjk h GLN 254 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.77 1bjk h GLN 254 CO 0.85 0.00 0.00 1.63 0.09 0.00 0.00 178.83 181.40 1bjk n LYS 255 N -3.15 2.37 -3.13 0.06 5.02 -1.26 -4.94 118.16 113.14 1bjk n LYS 255 Ca -0.03 -2.05 -0.40 0.00 -2.02 0.00 0.00 58.31 53.82 1bjk n LYS 255 Cb 0.08 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.54 1bjk n LYS 255 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1bjk s THR 256 N -1.69 5.05 -0.05 -0.18 2.01 -1.00 -2.53 115.64 117.26 1bjk s THR 256 Ca 0.35 1.23 0.02 0.00 0.31 0.00 0.00 61.69 63.60 1bjk s THR 256 Cb 0.22 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 1bjk s THR 256 CO 0.31 0.18 -0.09 -1.00 -0.69 0.00 0.00 174.62 173.33 1bjk s HIS 257 N 1.39 2.85 -0.10 4.92 3.76 -0.02 -4.90 115.29 123.19 1bjk s HIS 257 Ca 0.31 -0.04 0.04 0.00 -0.15 0.00 0.00 55.06 55.21 1bjk s HIS 257 Cb -0.16 -1.66 -0.00 0.00 1.11 0.00 0.00 32.58 31.86 1bjk s HIS 257 CO 0.12 0.30 -0.23 0.99 -0.85 0.00 0.00 174.74 175.07 1bjk s THR 258 N -0.82 2.15 -0.07 1.30 2.01 -0.76 -0.86 115.64 118.58 1bjk s THR 258 Ca 0.13 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 61.18 1bjk s THR 258 Cb -0.11 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 1bjk s THR 258 CO 0.02 0.56 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.00 1bjk s TYR 259 N 0.30 2.59 -0.10 4.92 1.51 0.50 -1.00 117.35 126.07 1bjk s TYR 259 Ca -0.17 -0.58 0.01 0.00 -1.01 0.00 0.00 57.07 55.32 1bjk s TYR 259 Cb -0.17 -1.67 0.02 0.00 -0.11 0.00 0.00 41.96 40.03 1bjk s TYR 259 CO 0.08 -0.12 -0.11 0.42 -1.11 0.00 0.00 175.55 174.71 1bjk s ILE 260 N -0.16 1.19 -0.11 2.71 1.01 0.28 -0.43 121.20 125.68 1bjk s ILE 260 Ca -0.02 -0.44 -0.11 0.00 0.00 0.00 0.00 60.65 60.08 1bjk s ILE 260 Cb -0.14 -1.13 0.03 0.00 0.01 0.00 0.00 42.46 41.23 1bjk s ILE 260 CO 0.04 0.38 0.31 0.00 0.00 0.00 0.00 174.94 175.67 1bjk n GLY 262 N 2.85 0.18 3.78 0.00 0.00 -1.13 -1.97 105.19 108.89 1bjk n GLY 262 Ca -0.13 -1.45 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 1bjk n GLY 262 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bjk s LEU 263 N 0.00 4.40 0.58 0.99 1.43 -1.26 -2.02 118.68 122.80 1bjk s LEU 263 Ca 0.00 1.83 -0.19 0.00 -1.03 0.00 0.00 54.13 54.74 1bjk s LEU 263 Cb 0.00 -3.90 -0.06 0.00 0.03 0.00 0.00 46.19 42.26 1bjk s LEU 263 CO 0.00 -0.01 0.91 1.21 0.23 0.00 0.00 176.35 178.68 1bjk n GLU 264 N 0.76 0.89 -0.08 1.70 2.13 -1.26 -3.71 120.64 121.07 1bjk n GLU 264 Ca 0.01 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.17 1bjk n GLU 264 Cb 0.50 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.11 1bjk n GLU 264 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bjk n GLY 265 N 1.34 0.75 0.08 8.31 0.00 -1.26 -4.94 105.19 109.48 1bjk n GLY 265 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 1bjk n GLY 265 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1bjk n MET 266 N -2.04 0.57 0.20 1.61 0.00 -1.24 -4.36 117.12 111.86 1bjk n MET 266 Ca 0.00 0.04 0.06 0.00 0.00 0.00 0.00 57.70 57.80 1bjk n MET 266 Cb 0.00 -1.74 0.40 0.00 0.00 0.00 0.00 33.22 31.89 1bjk n MET 266 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1bjk h GLU 267 N 0.00 0.00 0.16 3.17 5.08 -1.92 -3.19 114.58 117.89 1bjk h GLU 267 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1bjk h GLU 267 Cb 0.96 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.24 1bjk h GLU 267 CO 0.00 0.34 -1.31 1.49 -1.00 0.00 0.00 179.01 178.53 1bjk h GLU 268 N 0.00 0.43 0.00 2.33 4.81 -2.01 -2.31 114.58 117.84 1bjk h GLU 268 Ca -0.00 -0.69 -0.02 0.00 -0.13 0.00 0.00 59.36 58.52 1bjk h GLU 268 Cb 0.76 0.25 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 1bjk h GLU 268 CO 0.04 1.32 -0.08 0.78 -0.73 0.00 0.00 179.01 180.34 1bjk h GLY 269 N 0.86 0.00 1.19 1.92 0.00 -1.82 -2.82 103.07 102.41 1bjk h GLY 269 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.85 1bjk h GLY 269 CO 0.23 0.00 -1.22 -2.22 0.00 0.00 0.00 176.54 173.33 1bjk h ILE 270 N 0.00 1.29 -0.67 2.60 2.04 -1.53 -3.06 117.51 118.18 1bjk h ILE 270 Ca -0.00 -2.46 -0.06 0.00 1.00 0.00 0.00 64.86 63.35 1bjk h ILE 270 Cb 0.82 2.73 -0.03 0.00 -0.74 0.00 0.00 36.82 39.60 1bjk h ILE 270 CO 0.01 0.74 0.20 0.44 0.00 0.00 0.00 178.15 179.54 1bjk h ASP 271 N 0.23 0.98 -0.42 1.72 5.19 -1.44 -2.38 116.42 120.31 1bjk h ASP 271 Ca -0.19 -0.21 -0.04 0.00 -0.62 0.00 0.00 57.03 55.97 1bjk h ASP 271 Cb 1.90 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 41.13 1bjk h ASP 271 CO 0.23 0.94 0.12 0.00 -3.12 0.00 0.00 179.24 177.41 1bjk h ALA 272 N 1.08 1.32 -0.24 3.45 0.00 -1.57 0.24 119.26 123.53 1bjk h ALA 272 Ca 0.21 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1bjk h ALA 272 Cb 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1bjk h ALA 272 CO -0.00 0.49 -0.50 0.00 0.00 0.00 0.00 179.25 179.23 1bjk h ALA 273 N 1.44 0.67 0.00 0.00 0.00 -1.41 -3.08 119.26 116.87 1bjk h ALA 273 Ca 0.16 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1bjk h ALA 273 Cb 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1bjk h ALA 273 CO -0.00 0.68 -0.43 -0.07 0.00 0.00 0.00 179.25 179.42 1bjk h LEU 274 N 0.53 0.00 -0.25 0.00 3.38 -1.02 -3.13 115.31 114.82 1bjk h LEU 274 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1bjk h LEU 274 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1bjk h LEU 274 CO 0.10 0.09 0.08 0.28 0.09 0.00 0.00 178.44 179.08 1bjk h SER 275 N 0.00 0.35 0.32 -0.43 0.02 -0.53 -1.57 113.55 111.70 1bjk h SER 275 Ca -0.01 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.66 1bjk h SER 275 Cb 1.07 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 1bjk h SER 275 CO 0.01 0.45 -0.37 0.00 -1.14 0.00 0.00 176.83 175.78 1bjk h ALA 276 N 0.92 1.31 0.03 3.77 0.00 -1.58 -0.10 119.26 123.61 1bjk h ALA 276 Ca 0.08 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 1bjk h ALA 276 Cb 0.22 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1bjk h ALA 276 CO -0.00 0.50 -0.64 0.00 0.00 0.00 0.00 179.25 179.11 1bjk h ALA 277 N 1.56 0.04 -0.37 0.00 0.00 -1.49 -3.28 119.26 115.72 1bjk h ALA 277 Ca 0.01 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 1bjk h ALA 277 Cb 0.69 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1bjk h ALA 277 CO 0.05 0.35 -0.08 0.00 0.00 0.00 0.00 179.25 179.57 1bjk h ALA 278 N 0.27 1.18 -0.13 0.00 0.00 -1.17 -2.95 119.26 116.45 1bjk h ALA 278 Ca -0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1bjk h ALA 278 Cb 1.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1bjk h ALA 278 CO 0.12 0.53 0.02 0.00 0.00 0.00 0.00 179.25 179.92 1bjk h ALA 279 N 1.34 1.79 0.00 0.00 0.00 -0.99 -1.51 119.26 119.89 1bjk h ALA 279 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1bjk h ALA 279 Cb 0.49 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1bjk h ALA 279 CO 0.03 0.17 0.00 0.87 0.00 0.00 0.00 179.25 180.31 1bjk h LYS 280 N 0.19 0.00 0.00 0.00 1.57 -1.58 -1.23 116.57 115.52 1bjk h LYS 280 Ca 0.05 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1bjk h LYS 280 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1bjk h LYS 280 CO -0.00 0.00 -0.07 0.39 -0.57 0.00 0.00 179.45 179.19 1bjk n GLU 281 N -2.31 1.17 -1.17 3.15 1.02 -0.60 -4.98 120.64 116.92 1bjk n GLU 281 Ca -0.01 -2.46 -0.06 0.00 -0.02 0.00 0.00 57.16 54.61 1bjk n GLU 281 Cb 0.04 -1.40 -0.03 0.00 -0.02 0.00 0.00 31.44 30.04 1bjk n GLU 281 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bjk n GLY 282 N -1.28 0.80 3.81 0.62 0.00 -0.46 -5.01 105.19 103.67 1bjk n GLY 282 Ca 0.15 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 1bjk n GLY 282 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bjk s VAL 283 N -2.09 5.30 -0.36 1.61 1.01 -1.04 -5.01 120.40 119.83 1bjk s VAL 283 Ca 0.00 0.14 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 1bjk s VAL 283 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1bjk s VAL 283 CO 0.00 0.57 0.69 -0.89 0.00 0.00 0.00 175.10 175.47 1bjk s THR 284 N -0.60 4.83 0.16 3.92 2.01 -1.26 -3.28 115.64 121.42 1bjk s THR 284 Ca 0.12 0.71 -0.15 0.00 0.31 0.00 0.00 61.69 62.68 1bjk s THR 284 Cb -0.12 -4.12 0.03 0.00 0.01 0.00 0.00 72.50 68.30 1bjk s THR 284 CO 0.02 -0.35 1.79 -0.25 -0.69 0.00 0.00 174.62 175.14 1bjk h TRP 285 N 8.45 0.43 0.00 4.92 2.91 -1.88 -0.76 115.95 130.03 1bjk h TRP 285 Ca -0.26 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.76 1bjk h TRP 285 Cb 1.10 -0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 29.62 1bjk h TRP 285 CO 0.77 0.24 -0.11 0.66 -1.03 0.00 0.00 178.44 178.96 1bjk h SER 286 N 0.47 0.00 0.19 2.65 4.64 -1.95 0.29 113.55 119.83 1bjk h SER 286 Ca 0.17 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.21 1bjk h SER 286 Cb 0.05 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.16 1bjk h SER 286 CO -0.10 0.11 -1.32 0.44 -0.87 0.00 0.00 176.83 175.09 1bjk h ASP 287 N 0.00 0.63 -0.81 4.97 3.32 -1.78 -3.11 116.42 119.64 1bjk h ASP 287 Ca -0.00 -0.92 -0.02 0.00 0.02 0.00 0.00 57.03 56.10 1bjk h ASP 287 Cb 0.26 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1bjk h ASP 287 CO 0.01 1.62 0.42 0.22 -1.72 0.00 0.00 179.24 179.79 1bjk h TYR 288 N -0.09 1.14 -0.51 4.55 5.03 -0.47 -2.86 116.97 123.76 1bjk h TYR 288 Ca -0.25 -0.04 -0.11 0.00 2.58 0.00 0.00 58.73 60.92 1bjk h TYR 288 Cb 1.94 -0.36 -0.02 0.00 1.55 0.00 0.00 36.73 39.84 1bjk h TYR 288 CO 0.15 0.81 -0.12 0.37 -1.32 0.00 0.00 178.16 178.04 1bjk h GLN 289 N 1.15 0.97 -0.73 1.82 4.15 -0.58 -1.35 115.11 120.53 1bjk h GLN 289 Ca 0.29 -0.36 0.06 0.00 0.77 0.00 0.00 58.65 59.41 1bjk h GLN 289 Cb 0.07 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.64 1bjk h GLN 289 CO -0.04 1.02 0.43 0.87 -1.93 0.00 0.00 178.83 179.18 1bjk h LYS 290 N 0.86 0.75 -0.81 1.69 1.57 -1.44 0.40 116.57 119.59 1bjk h LYS 290 Ca 0.13 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1bjk h LYS 290 Cb 0.67 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 1bjk h LYS 290 CO 0.05 0.50 0.38 -0.44 -0.57 0.00 0.00 179.45 179.37 1bjk h ASP 291 N 0.78 1.06 -0.78 0.86 3.32 -1.20 -1.61 116.42 118.84 1bjk h ASP 291 Ca 0.33 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 1bjk h ASP 291 Cb 0.19 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 1bjk h ASP 291 CO -0.18 0.90 0.34 -0.07 -1.72 0.00 0.00 179.24 178.51 1bjk h LEU 292 N 1.15 1.07 -0.34 1.55 3.38 -0.15 -0.90 115.31 121.06 1bjk h LEU 292 Ca 0.28 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1bjk h LEU 292 Cb 0.13 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1bjk h LEU 292 CO -0.03 0.93 0.12 0.11 0.09 0.00 0.00 178.44 179.65 1bjk h LYS 293 N 1.14 0.52 -0.76 1.13 1.79 -0.64 -0.38 116.57 119.37 1bjk h LYS 293 Ca 0.27 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1bjk h LYS 293 Cb 0.18 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.71 1bjk h LYS 293 CO -0.03 0.54 0.45 0.87 -1.08 0.00 0.00 179.45 180.20 1bjk h LYS 294 N 0.40 1.03 0.00 3.15 6.56 -0.91 -2.17 116.57 124.63 1bjk h LYS 294 Ca 0.11 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1bjk h LYS 294 Cb 0.23 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 1bjk h LYS 294 CO -0.01 0.73 0.00 0.00 -2.06 0.00 0.00 179.45 178.11 1bjk n ALA 295 N -2.42 2.03 -1.82 3.86 0.00 -0.38 -4.91 120.51 116.87 1bjk n ALA 295 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 1bjk n ALA 295 Cb 0.07 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.10 1bjk n ALA 295 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bjk n GLY 296 N 0.79 0.36 0.45 0.00 0.00 -0.70 -4.94 105.19 101.15 1bjk n GLY 296 Ca 0.05 -0.89 0.05 0.00 0.00 0.00 0.00 46.02 45.23 1bjk n GLY 296 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bjk n ARG 297 N -1.46 0.73 -4.02 1.61 1.74 -0.24 -4.88 116.66 110.14 1bjk n ARG 297 Ca -0.01 -1.23 -0.31 0.00 -0.77 0.00 0.00 57.85 55.53 1bjk n ARG 297 Cb 0.41 -1.21 -0.15 0.00 -1.02 0.00 0.00 32.46 30.49 1bjk n ARG 297 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1bjk s TRP 298 N -0.91 2.89 -0.20 -1.55 -0.11 -1.20 -1.83 118.94 116.02 1bjk s TRP 298 Ca 0.14 -2.04 -0.01 0.00 1.22 0.00 0.00 56.10 55.41 1bjk s TRP 298 Cb 0.09 -1.79 0.01 0.00 -1.50 0.00 0.00 33.47 30.28 1bjk s TRP 298 CO 0.14 -0.83 -0.14 -1.01 -4.62 0.00 0.00 176.95 170.49 1bjk s HIS 299 N 1.23 2.86 -0.05 5.86 3.76 -0.17 -4.73 115.29 124.05 1bjk s HIS 299 Ca -0.07 -1.40 0.04 0.00 -0.15 0.00 0.00 55.06 53.48 1bjk s HIS 299 Cb -0.19 -1.99 0.00 0.00 1.11 0.00 0.00 32.58 31.51 1bjk s HIS 299 CO -0.06 -0.71 -0.16 0.08 -0.85 0.00 0.00 174.74 173.04 1bjk s VAL 300 N 1.36 1.34 -0.29 -0.90 1.01 -1.26 -0.55 120.40 121.10 1bjk s VAL 300 Ca 0.05 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1bjk s VAL 300 Cb -0.14 -1.18 0.12 0.00 0.00 0.00 0.00 36.38 35.19 1bjk s VAL 300 CO -0.09 0.39 0.23 -0.70 0.00 0.00 0.00 175.10 174.94 1bjk s GLU 301 N 0.27 0.28 0.18 2.72 2.12 -0.06 -4.96 118.70 119.25 1bjk s GLU 301 Ca -0.08 -0.31 0.10 0.00 0.36 0.00 0.00 54.97 55.03 1bjk s GLU 301 Cb -0.13 -0.85 -0.04 0.00 0.26 0.00 0.00 34.13 33.36 1bjk s GLU 301 CO 0.03 -1.03 -0.20 0.95 -0.54 0.00 0.00 175.26 174.47 1bjk s THR 302 N 2.23 2.01 0.00 -1.70 -4.23 -1.26 -2.84 115.64 109.85 1bjk s THR 302 Ca 0.09 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1bjk s THR 302 Cb -0.15 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.73 1bjk s THR 302 CO -0.34 -0.28 0.00 0.00 -0.54 0.00 0.00 174.62 173.47