#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djm s ASN 4 N 0.00 -0.55 0.36 1.69 6.03 -1.26 -5.19 114.94 116.02 3djm s ASN 4 Ca 0.00 0.95 -0.27 0.00 -1.03 0.00 0.00 52.86 52.50 3djm s ASN 4 Cb 0.00 1.13 -0.12 0.00 -3.03 0.00 0.00 41.25 39.23 3djm s ASN 4 CO 0.00 -0.15 1.27 -0.46 -2.03 0.00 0.00 177.10 175.73 3djm n ASN 5 N 3.24 2.65 -1.60 3.54 0.23 -1.26 -4.87 115.26 117.19 3djm n ASN 5 Ca -0.16 1.18 -0.07 0.00 -0.53 0.00 0.00 54.58 54.99 3djm n ASN 5 Cb 0.57 -1.48 0.02 0.00 -2.08 0.00 0.00 39.78 36.81 3djm n ASN 5 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 3djm n HIS 6 N 0.19 0.73 -3.54 -2.53 8.25 -1.26 -4.88 115.22 112.17 3djm n HIS 6 Ca 0.05 -1.32 -0.38 0.00 -0.26 0.00 0.00 57.72 55.82 3djm n HIS 6 Cb 0.37 -0.65 -0.10 0.00 1.12 0.00 0.00 29.99 30.73 3djm n HIS 6 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3djm s ILE 7 N -1.02 5.28 -0.14 1.59 1.01 -1.26 -1.81 121.20 124.85 3djm s ILE 7 Ca 0.14 0.30 -0.04 0.00 0.00 0.00 0.00 60.65 61.05 3djm s ILE 7 Cb 0.11 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 3djm s ILE 7 CO 0.00 0.24 -0.01 -0.60 0.00 0.00 0.00 174.94 174.58 3djm s ARG 8 N 1.71 3.49 -0.16 2.79 3.52 0.02 -4.97 118.95 125.34 3djm s ARG 8 Ca 0.10 -0.45 -0.01 0.00 -0.13 0.00 0.00 55.73 55.23 3djm s ARG 8 Cb -0.16 -2.92 -0.01 0.00 -1.56 0.00 0.00 34.95 30.30 3djm s ARG 8 CO 0.10 0.40 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.37 3djm s LEU 9 N -0.05 2.73 0.12 -0.88 1.43 -1.26 -1.24 118.68 119.53 3djm s LEU 9 Ca 0.03 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 52.82 3djm s LEU 9 Cb -0.13 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 3djm s LEU 9 CO 0.02 0.09 -0.15 -0.13 0.23 0.00 0.00 176.35 176.42 3djm s ARG 10 N 0.80 1.04 0.01 1.70 0.52 -0.23 -4.96 118.95 117.83 3djm s ARG 10 Ca -0.04 -1.24 -0.30 0.00 -0.52 0.00 0.00 55.73 53.63 3djm s ARG 10 Cb -0.15 -0.96 -0.05 0.00 0.52 0.00 0.00 34.95 34.31 3djm s ARG 10 CO 0.01 0.19 1.32 0.21 0.02 0.00 0.00 175.30 177.04 3djm s LYS 11 N -2.60 4.33 -0.17 3.54 2.20 -1.26 0.28 119.74 126.06 3djm s LYS 11 Ca 0.09 1.88 -0.29 0.00 -0.36 0.00 0.00 55.97 57.28 3djm s LYS 11 Cb -0.05 -3.48 -0.02 0.00 -1.51 0.00 0.00 37.83 32.76 3djm s LYS 11 CO 0.03 -0.47 1.37 0.00 -0.36 0.00 0.00 175.35 175.93 3djm s ALA 12 N 1.93 3.57 0.24 3.13 0.00 -0.10 -4.79 121.76 125.74 3djm s ALA 12 Ca 0.61 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 3djm s ALA 12 Cb -0.30 -3.69 -0.09 0.00 0.00 0.00 0.00 23.12 19.04 3djm s ALA 12 CO 0.26 -1.38 1.02 -1.21 0.00 0.00 0.00 175.76 174.45 3djm s GLU 13 N 3.82 4.73 1.35 0.00 0.41 -1.26 -4.48 118.70 123.27 3djm s GLU 13 Ca 0.60 1.63 0.00 0.00 -0.41 0.00 0.00 54.97 56.79 3djm s GLU 13 Cb -0.23 -3.25 0.00 0.00 -1.78 0.00 0.00 34.13 28.87 3djm s GLU 13 CO 0.20 0.33 0.00 0.41 -0.49 0.00 0.00 175.26 175.71 3djm n GLY 14 N 1.49 -1.74 3.66 -1.39 0.00 -1.26 -4.82 105.19 101.14 3djm n GLY 14 Ca -0.01 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 3djm n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3djm s LYS 15 N 0.00 4.19 -0.05 1.61 2.20 -1.26 -4.50 119.74 121.93 3djm s LYS 15 Ca 0.00 0.38 0.03 0.00 -0.36 0.00 0.00 55.97 56.03 3djm s LYS 15 Cb 0.00 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 3djm s LYS 15 CO 0.00 -0.13 -0.14 -1.58 -0.36 0.00 0.00 175.35 173.14 3djm s TRP 16 N 1.59 2.71 0.03 4.03 0.52 0.00 -0.26 118.94 127.57 3djm s TRP 16 Ca 0.23 -0.15 0.07 0.00 0.02 0.00 0.00 56.10 56.28 3djm s TRP 16 Cb -0.15 -1.63 -0.02 0.00 -1.15 0.00 0.00 33.47 30.51 3djm s TRP 16 CO 0.09 0.20 -0.21 0.08 0.02 0.00 0.00 176.95 177.13 3djm s VAL 17 N -0.74 1.70 -0.08 4.03 1.01 -0.22 -0.79 120.40 125.31 3djm s VAL 17 Ca 0.12 -1.15 0.04 0.00 0.00 0.00 0.00 61.98 60.99 3djm s VAL 17 Cb -0.11 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.82 3djm s VAL 17 CO 0.01 0.27 -0.20 -0.51 0.00 0.00 0.00 175.10 174.67 3djm s ILE 18 N -0.73 1.72 0.20 2.22 1.10 0.13 -1.92 121.20 123.92 3djm s ILE 18 Ca 0.08 -0.84 -0.11 0.00 -0.51 0.00 0.00 60.65 59.27 3djm s ILE 18 Cb -0.09 -1.50 -0.00 0.00 0.15 0.00 0.00 42.46 41.02 3djm s ILE 18 CO 0.01 0.49 0.37 0.00 -2.11 0.00 0.00 174.94 173.70 3djm s ARG 19 N 0.31 1.33 0.00 3.50 1.70 -0.37 -0.92 118.95 124.50 3djm s ARG 19 Ca -0.13 -1.20 0.00 0.00 -0.47 0.00 0.00 55.73 53.93 3djm s ARG 19 Cb -0.16 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.64 3djm s ARG 19 CO 0.06 -0.52 0.00 0.25 -1.08 0.00 0.00 175.30 174.01 3djm n THR 20 N -0.30 0.00 1.90 4.99 -2.24 -0.44 -0.49 114.28 117.70 3djm n THR 20 Ca -0.05 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.86 3djm n THR 20 Cb 0.63 -0.71 0.77 0.00 -2.10 0.00 0.00 70.33 68.91 3djm n THR 20 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3djm n ASP 21 N -1.97 0.00 0.00 3.42 5.75 -1.26 -4.13 116.55 118.36 3djm n ASP 21 Ca 0.00 -1.09 0.00 0.00 -0.01 0.00 0.00 54.79 53.69 3djm n ASP 21 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3djm n ASP 21 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3djm n SER 22 N -0.92 0.00 -3.59 -1.12 3.41 -1.26 -5.13 113.62 105.01 3djm n SER 22 Ca 0.19 -1.00 -0.15 0.00 -0.26 0.00 0.00 58.87 57.65 3djm n SER 22 Cb 0.09 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 3djm n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3djm s ALA 23 N 0.00 -1.36 -0.27 7.33 0.00 -1.26 -5.00 121.76 121.20 3djm s ALA 23 Ca 0.00 0.77 -0.11 0.00 0.00 0.00 0.00 51.96 52.62 3djm s ALA 23 Cb 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 3djm s ALA 23 CO 0.00 -0.42 0.21 0.08 0.00 0.00 0.00 175.76 175.63 3djm s VAL 24 N -1.84 5.30 -0.18 0.00 1.01 -1.26 -1.33 120.40 122.09 3djm s VAL 24 Ca -0.09 0.23 0.22 0.00 0.00 0.00 0.00 61.98 62.34 3djm s VAL 24 Cb -0.01 -3.55 -0.25 0.00 0.00 0.00 0.00 36.38 32.57 3djm s VAL 24 CO 0.03 0.25 0.66 0.18 0.00 0.00 0.00 175.10 176.22 3djm n LEU 25 N 4.99 0.28 -3.63 3.92 4.77 -0.09 -4.92 117.00 122.32 3djm n LEU 25 Ca -0.13 0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.80 3djm n LEU 25 Cb 0.52 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 3djm n LEU 25 CO 0.34 -0.02 0.84 -0.83 -1.33 0.00 0.00 177.39 176.39 3djm s GLY 26 N -4.32 -0.07 -0.05 -0.72 0.00 -0.74 -0.69 107.32 100.74 3djm s GLY 26 Ca -0.05 2.72 0.02 0.00 0.00 0.00 0.00 44.72 47.41 3djm s GLY 26 CO 0.87 1.67 -0.10 -0.54 0.00 0.00 0.00 173.10 175.01 3djm s GLU 27 N -0.11 1.30 -0.02 2.90 2.02 -1.21 -0.69 118.70 122.89 3djm s GLU 27 Ca 0.03 -0.33 -0.11 0.00 0.02 0.00 0.00 54.97 54.58 3djm s GLU 27 Cb -0.04 -1.14 0.01 0.00 0.10 0.00 0.00 34.13 33.06 3djm s GLU 27 CO -0.07 0.05 0.23 -0.08 0.02 0.00 0.00 175.26 175.41 3djm s THR 28 N 0.52 0.06 -2.70 3.63 -1.32 0.03 -4.83 115.64 111.03 3djm s THR 28 Ca -0.10 -0.50 0.24 0.00 -1.21 0.00 0.00 61.69 60.12 3djm s THR 28 Cb -0.13 -0.50 0.33 0.00 -1.51 0.00 0.00 72.50 70.69 3djm s THR 28 CO 0.02 -0.27 1.35 0.18 -2.21 0.00 0.00 174.62 173.68 3djm n LEU 29 N 1.60 3.30 -2.25 9.08 4.77 -1.26 -0.82 117.00 131.42 3djm n LEU 29 Ca -0.21 -1.30 -0.09 0.00 -0.03 0.00 0.00 56.01 54.38 3djm n LEU 29 Cb 0.56 -0.15 0.05 0.00 -2.33 0.00 0.00 43.42 41.55 3djm n LEU 29 CO 0.21 0.65 0.10 0.59 -1.33 0.00 0.00 177.39 177.61 3djm n ASN 30 N 1.45 2.90 -4.76 -1.43 4.13 -1.26 -4.79 115.26 111.51 3djm n ASN 30 Ca 0.17 -2.85 -0.35 0.00 1.68 0.00 0.00 54.58 53.23 3djm n ASN 30 Cb 0.61 -0.41 0.03 0.00 -1.54 0.00 0.00 39.78 38.47 3djm n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3djm s ALA 31 N -3.40 2.52 -0.11 5.41 0.00 -1.26 -4.56 121.76 120.37 3djm s ALA 31 Ca 0.38 0.85 0.02 0.00 0.00 0.00 0.00 51.96 53.21 3djm s ALA 31 Cb 0.37 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 3djm s ALA 31 CO -0.02 -1.16 -0.18 0.42 0.00 0.00 0.00 175.76 174.82 3djm s ILE 32 N -1.85 2.60 -0.24 0.00 1.01 -0.33 -0.92 121.20 121.47 3djm s ILE 32 Ca 0.74 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 3djm s ILE 32 Cb -0.26 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 3djm s ILE 32 CO 0.34 0.55 0.21 -0.70 0.00 0.00 0.00 174.94 175.34 3djm s GLU 33 N 0.21 4.07 -0.22 2.79 2.12 0.14 -0.44 118.70 127.38 3djm s GLU 33 Ca -0.11 -0.20 -0.03 0.00 0.36 0.00 0.00 54.97 54.99 3djm s GLU 33 Cb -0.16 -3.56 -0.00 0.00 0.26 0.00 0.00 34.13 30.67 3djm s GLU 33 CO 0.06 0.01 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.56 3djm s LEU 34 N 1.21 2.79 -0.15 2.70 0.20 -0.51 -1.07 118.68 123.86 3djm s LEU 34 Ca 0.09 -0.43 0.02 0.00 0.69 0.00 0.00 54.13 54.51 3djm s LEU 34 Cb -0.14 -1.70 0.01 0.00 -0.43 0.00 0.00 46.19 43.92 3djm s LEU 34 CO 0.06 -0.02 -0.20 -0.89 -0.29 0.00 0.00 176.35 175.01 3djm s THR 35 N 1.45 2.19 -0.41 3.68 2.01 -0.37 -1.00 115.64 123.19 3djm s THR 35 Ca 0.06 -0.93 -0.06 0.00 0.31 0.00 0.00 61.69 61.07 3djm s THR 35 Cb -0.14 -1.89 0.09 0.00 0.01 0.00 0.00 72.50 70.58 3djm s THR 35 CO -0.05 0.54 0.22 -0.70 -0.69 0.00 0.00 174.62 173.95 3djm s GLU 36 N 0.85 2.32 4.82 4.92 2.12 -1.26 -0.80 118.70 131.66 3djm s GLU 36 Ca -0.06 -1.64 0.00 0.00 0.36 0.00 0.00 54.97 53.64 3djm s GLU 36 Cb -0.15 -3.66 0.00 0.00 0.26 0.00 0.00 34.13 30.58 3djm s GLU 36 CO -0.02 -1.01 0.00 0.41 -0.54 0.00 0.00 175.26 174.10 3djm n GLY 37 N 4.75 1.71 1.53 -1.50 0.00 -0.75 -2.82 105.19 108.11 3djm n GLY 37 Ca -0.07 -0.59 0.06 0.00 0.00 0.00 0.00 46.02 45.43 3djm n GLY 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3djm n SER 38 N 0.16 4.54 -4.71 1.61 3.41 -1.26 -4.90 113.62 112.45 3djm n SER 38 Ca 0.00 -2.63 -0.31 0.00 -0.26 0.00 0.00 58.87 55.67 3djm n SER 38 Cb 0.00 -0.61 0.13 0.00 -0.26 0.00 0.00 64.21 63.47 3djm n SER 38 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3djm s ARG 39 N -2.23 1.51 0.27 4.33 0.52 -1.13 -4.98 118.95 117.25 3djm s ARG 39 Ca 0.43 1.33 -0.30 0.00 -0.52 0.00 0.00 55.73 56.67 3djm s ARG 39 Cb 0.31 -1.80 -0.11 0.00 0.52 0.00 0.00 34.95 33.88 3djm s ARG 39 CO 0.15 -2.21 1.50 -0.51 0.02 0.00 0.00 175.30 174.25 3djm s ASP 40 N -3.02 6.53 0.63 0.23 1.01 -1.26 -4.67 116.67 116.12 3djm s ASP 40 Ca 0.64 2.80 -0.18 0.00 0.71 0.00 0.00 52.55 56.52 3djm s ASP 40 Cb -0.20 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.08 3djm s ASP 40 CO 0.57 -0.79 1.27 -2.16 0.21 0.00 0.00 175.17 174.27 3djm s PRO 41 N -0.52 2.66 -0.11 8.23 0.04 -1.26 -4.81 135.00 139.22 3djm s PRO 41 Ca 0.60 2.00 0.02 0.00 0.04 0.00 0.00 61.00 63.67 3djm s PRO 41 Cb -0.44 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 3djm s PRO 41 CO 0.46 -1.50 -0.19 0.08 0.04 0.00 0.00 177.00 175.89 3djm s VAL 42 N -1.45 2.53 -0.16 -0.36 1.01 -0.17 -4.95 120.40 116.84 3djm s VAL 42 Ca 0.81 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 3djm s VAL 42 Cb -0.36 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 3djm s VAL 42 CO 0.38 0.55 0.42 -0.63 0.00 0.00 0.00 175.10 175.81 3djm s ILE 43 N 0.25 5.21 -0.20 2.22 -1.09 -1.26 -1.42 121.20 124.90 3djm s ILE 43 Ca -0.13 0.79 -0.05 0.00 -2.23 0.00 0.00 60.65 59.03 3djm s ILE 43 Cb -0.16 -3.75 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 3djm s ILE 43 CO 0.07 0.30 0.00 -0.31 -1.23 0.00 0.00 174.94 173.76 3djm s TYR 44 N 0.94 3.03 -0.17 3.97 1.51 0.42 -4.38 117.35 122.67 3djm s TYR 44 Ca 0.21 -0.49 -0.09 0.00 -1.01 0.00 0.00 57.07 55.69 3djm s TYR 44 Cb -0.15 -2.09 -0.05 0.00 -0.11 0.00 0.00 41.96 39.56 3djm s TYR 44 CO 0.08 -0.27 0.13 -0.06 -1.11 0.00 0.00 175.55 174.32 3djm s PHE 45 N 1.07 3.47 0.32 2.71 0.40 0.13 -1.18 117.98 124.89 3djm s PHE 45 Ca 0.02 0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 56.45 3djm s PHE 45 Cb -0.14 -2.09 -0.11 0.00 0.51 0.00 0.00 43.02 41.19 3djm s PHE 45 CO 0.01 0.44 1.43 -1.25 0.70 0.00 0.00 175.22 176.55 3djm s PRO 46 N -0.10 4.24 0.33 0.24 0.04 -1.26 -0.61 135.00 137.88 3djm s PRO 46 Ca 0.10 2.38 0.02 0.00 0.04 0.00 0.00 61.00 63.55 3djm s PRO 46 Cb -0.11 -3.05 0.62 0.00 0.04 0.00 0.00 34.50 32.00 3djm s PRO 46 CO 0.00 -0.40 1.96 -0.09 0.04 0.00 0.00 177.00 178.52 3djm h ARG 47 N 3.88 0.88 0.00 4.56 2.43 -1.93 -1.23 114.38 122.97 3djm h ARG 47 Ca -0.48 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3djm h ARG 47 Cb 1.23 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3djm h ARG 47 CO 0.70 0.58 0.00 1.05 -1.51 0.00 0.00 179.97 180.79 3djm h GLU 48 N 0.90 0.00 -0.18 0.20 4.11 -1.93 -1.99 114.58 115.69 3djm h GLU 48 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.74 3djm h GLU 48 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3djm h GLU 48 CO -0.09 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.74 3djm n ASP 49 N -2.38 3.02 -4.63 3.06 8.00 -0.46 -4.94 116.55 118.21 3djm n ASP 49 Ca -0.00 -1.92 -0.33 0.00 0.71 0.00 0.00 54.79 53.26 3djm n ASP 49 Cb 0.13 -0.11 -0.10 0.00 -0.02 0.00 0.00 41.12 41.02 3djm n ASP 49 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3djm s VAL 50 N -1.59 3.89 0.48 2.53 1.01 -0.75 -3.31 120.40 122.66 3djm s VAL 50 Ca 0.30 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 3djm s VAL 50 Cb 0.19 -2.70 -0.08 0.00 0.00 0.00 0.00 36.38 33.79 3djm s VAL 50 CO 0.28 0.41 0.94 0.00 0.00 0.00 0.00 175.10 176.73 3djm s ALA 51 N -1.01 3.10 -1.43 5.51 0.00 0.14 -4.99 121.76 123.08 3djm s ALA 51 Ca 0.17 0.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.20 3djm s ALA 51 Cb -0.11 -3.06 0.04 0.00 0.00 0.00 0.00 23.12 19.99 3djm s ALA 51 CO 0.08 -0.12 1.07 1.55 0.00 0.00 0.00 175.76 178.34 3djm n VAL 53 N -1.32 -2.75 -1.29 0.00 3.14 -1.26 -5.07 118.33 109.78 3djm n VAL 53 Ca 0.06 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 3djm n VAL 53 Cb 0.54 -3.51 0.00 0.00 -1.06 0.00 0.00 33.84 29.81 3djm n VAL 53 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 3djm n PHE 55 N -4.81 -1.80 -4.46 1.45 3.01 -1.26 -5.03 117.46 104.55 3djm n PHE 55 Ca -0.00 0.96 -0.32 0.00 1.01 0.00 0.00 57.45 59.10 3djm n PHE 55 Cb 0.55 -1.72 -0.16 0.00 -0.01 0.00 0.00 39.48 38.14 3djm n PHE 55 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3djm s ASP 56 N -3.14 2.99 0.32 4.37 1.01 0.14 -4.95 116.67 117.41 3djm s ASP 56 Ca 0.00 -0.58 -0.29 0.00 0.71 0.00 0.00 52.55 52.39 3djm s ASP 56 Cb 0.00 -1.38 -0.11 0.00 1.01 0.00 0.00 42.92 42.44 3djm s ASP 56 CO 0.00 0.04 1.55 -0.75 0.21 0.00 0.00 175.17 176.22 3djm s LYS 57 N 1.00 4.13 0.32 8.23 2.20 -1.26 -0.71 119.74 133.65 3djm s LYS 57 Ca -0.03 2.56 0.07 0.00 -0.36 0.00 0.00 55.97 58.21 3djm s LYS 57 Cb -0.15 -3.01 -0.02 0.00 -1.51 0.00 0.00 37.83 33.14 3djm s LYS 57 CO -0.05 -0.58 0.36 0.45 -0.36 0.00 0.00 175.35 175.16 3djm s SER 58 N 0.25 5.66 0.30 1.43 0.15 -0.02 -4.84 113.70 116.62 3djm s SER 58 Ca 0.59 -0.31 0.11 0.00 0.70 0.00 0.00 55.95 57.05 3djm s SER 58 Cb -0.47 -1.19 0.46 0.00 -1.71 0.00 0.00 66.02 63.10 3djm s SER 58 CO 0.53 -0.33 1.67 -0.33 1.20 0.00 0.00 173.24 175.99 3djm h GLU 59 N 1.13 0.00 -6.88 5.44 4.39 -1.94 -3.43 114.58 113.29 3djm h GLU 59 Ca -0.46 -0.00 -0.53 0.00 0.34 0.00 0.00 59.36 58.70 3djm h GLU 59 Cb 1.25 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 30.00 3djm h GLU 59 CO 0.57 0.55 0.83 0.21 -1.16 0.00 0.00 179.01 180.00 3djm s LYS 60 N -3.77 4.12 0.04 2.33 2.20 -1.26 -5.00 119.74 118.39 3djm s LYS 60 Ca -0.02 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.17 3djm s LYS 60 Cb 0.13 -2.99 -0.03 0.00 -1.51 0.00 0.00 37.83 33.43 3djm s LYS 60 CO 0.75 -0.57 -0.04 0.14 -0.36 0.00 0.00 175.35 175.26 3djm s VAL 61 N -0.63 0.29 0.05 4.02 -7.23 -1.26 -3.37 120.40 112.27 3djm s VAL 61 Ca 0.57 -1.26 0.03 0.00 -1.81 0.00 0.00 61.98 59.52 3djm s VAL 61 Cb -0.47 -0.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.68 3djm s VAL 61 CO 0.56 -0.62 -0.09 0.42 -0.31 0.00 0.00 175.10 175.06 3djm s THR 62 N -2.21 0.66 -0.20 5.32 -4.23 -0.97 -4.98 115.64 109.03 3djm s THR 62 Ca -0.07 -1.16 -0.08 0.00 -1.18 0.00 0.00 61.69 59.21 3djm s THR 62 Cb -0.04 -0.74 -0.04 0.00 1.34 0.00 0.00 72.50 73.01 3djm s THR 62 CO -0.03 -0.37 0.09 0.00 -0.54 0.00 0.00 174.62 173.77 3djm s ALA 63 N -1.44 3.46 -0.14 3.99 0.00 -1.26 -0.28 121.76 126.09 3djm s ALA 63 Ca -0.08 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 3djm s ALA 63 Cb -0.09 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 3djm s ALA 63 CO 0.01 0.07 -0.10 0.00 0.00 0.00 0.00 175.76 175.74 3djm h PRO 65 N 6.74 0.00 0.14 0.00 0.11 -1.99 -0.91 132.00 136.09 3djm h PRO 65 Ca -0.27 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.48 3djm h PRO 65 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3djm h PRO 65 CO 0.58 0.25 -1.84 -0.07 -0.21 0.00 0.00 178.00 176.70 3djm h LEU 66 N 0.00 0.47 0.01 2.35 3.38 -2.02 -3.41 115.31 116.08 3djm h LEU 66 Ca -0.00 -0.85 -0.36 0.00 0.09 0.00 0.00 57.88 56.75 3djm h LEU 66 Cb 0.51 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 3djm h LEU 66 CO 0.03 1.74 -2.30 0.29 0.09 0.00 0.00 178.44 178.30 3djm n LYS 67 N -3.50 0.68 0.00 1.13 5.02 -1.19 -4.61 118.16 115.68 3djm n LYS 67 Ca -0.27 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 3djm n LYS 67 Cb 1.06 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 3djm n LYS 67 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3djm n GLY 68 N 1.88 0.25 3.66 0.72 0.00 -0.35 -0.20 105.19 111.15 3djm n GLY 68 Ca -0.34 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.24 3djm n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3djm s GLU 69 N 0.00 4.18 -0.22 1.61 2.12 -1.26 -0.35 118.70 124.77 3djm s GLU 69 Ca 0.00 0.31 -0.20 0.00 0.36 0.00 0.00 54.97 55.44 3djm s GLU 69 Cb 0.00 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.81 3djm s GLU 69 CO 0.00 -0.10 0.60 0.00 -0.54 0.00 0.00 175.26 175.21 3djm s ALA 70 N 1.50 3.57 0.11 6.30 0.00 0.62 -4.14 121.76 129.71 3djm s ALA 70 Ca 0.22 -0.38 -0.16 0.00 0.00 0.00 0.00 51.96 51.63 3djm s ALA 70 Cb -0.15 -2.95 -0.07 0.00 0.00 0.00 0.00 23.12 19.95 3djm s ALA 70 CO 0.09 -0.63 0.55 -1.12 0.00 0.00 0.00 175.76 174.65 3djm s SER 71 N 1.30 6.93 0.20 0.00 0.01 -0.07 -2.29 113.70 119.78 3djm s SER 71 Ca 0.26 1.15 0.07 0.00 1.31 0.00 0.00 55.95 58.75 3djm s SER 71 Cb -0.16 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 3djm s SER 71 CO 0.09 0.19 0.03 -0.31 0.41 0.00 0.00 173.24 173.66 3djm s TYR 72 N -1.29 2.87 0.01 2.43 1.51 -1.22 -0.51 117.35 121.15 3djm s TYR 72 Ca 0.33 -0.14 0.01 0.00 -1.01 0.00 0.00 57.07 56.26 3djm s TYR 72 Cb -0.17 -1.36 -0.01 0.00 -0.11 0.00 0.00 41.96 40.31 3djm s TYR 72 CO 0.19 0.54 -0.04 0.71 -1.11 0.00 0.00 175.55 175.83 3djm s TYR 73 N -1.87 0.33 -0.05 2.71 1.51 0.54 -0.85 117.35 119.68 3djm s TYR 73 Ca 0.29 -0.18 -0.07 0.00 -1.01 0.00 0.00 57.07 56.11 3djm s TYR 73 Cb -0.09 -0.21 -0.04 0.00 -0.11 0.00 0.00 41.96 41.51 3djm s TYR 73 CO 0.20 -0.04 0.21 -1.12 -1.11 0.00 0.00 175.55 173.69 3djm s SER 74 N -0.46 6.45 -0.15 2.29 0.01 0.12 -1.58 113.70 120.38 3djm s SER 74 Ca -0.02 0.51 -0.03 0.00 1.31 0.00 0.00 55.95 57.72 3djm s SER 74 Cb -0.04 -2.08 -0.02 0.00 0.21 0.00 0.00 66.02 64.09 3djm s SER 74 CO -0.00 0.32 -0.06 -0.63 0.41 0.00 0.00 173.24 173.28 3djm s ILE 75 N -1.18 3.70 -0.08 1.44 1.01 -0.41 -0.68 121.20 124.99 3djm s ILE 75 Ca 0.22 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 3djm s ILE 75 Cb -0.13 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 3djm s ILE 75 CO 0.12 0.50 0.15 -0.69 0.00 0.00 0.00 174.94 175.02 3djm s VAL 76 N 0.37 5.47 0.06 2.92 1.01 -1.26 0.15 120.40 129.11 3djm s VAL 76 Ca -0.06 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 3djm s VAL 76 Cb -0.15 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.80 3djm s VAL 76 CO 0.04 0.52 0.08 0.61 0.00 0.00 0.00 175.10 176.34 3djm n GLY 77 N 1.63 2.88 0.37 4.51 0.00 -0.57 -4.91 105.19 109.08 3djm n GLY 77 Ca -0.17 -1.38 0.09 0.00 0.00 0.00 0.00 46.02 44.56 3djm n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djm h ALA 78 N 1.57 1.68 0.00 4.61 0.00 -1.98 -2.28 119.26 122.86 3djm h ALA 78 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3djm h ALA 78 Cb 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3djm h ALA 78 CO 0.06 0.09 -0.35 0.43 0.00 0.00 0.00 179.25 179.48 3djm n SER 79 N -4.57 0.59 0.00 0.00 7.64 -1.26 -5.05 113.62 110.97 3djm n SER 79 Ca 0.17 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.28 3djm n SER 79 Cb 0.39 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 3djm n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3djm n GLY 80 N 1.38 0.75 3.75 0.23 0.00 -0.86 -5.06 105.19 105.39 3djm n GLY 80 Ca 0.05 -2.08 -0.40 0.00 0.00 0.00 0.00 46.02 43.59 3djm n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3djm s THR 81 N -1.49 4.72 -0.57 2.61 2.01 -1.26 -1.52 115.64 120.13 3djm s THR 81 Ca 0.00 1.58 -0.17 0.00 0.31 0.00 0.00 61.69 63.41 3djm s THR 81 Cb 0.00 -4.09 0.12 0.00 0.01 0.00 0.00 72.50 68.55 3djm s THR 81 CO 0.00 0.39 0.59 -0.76 -0.69 0.00 0.00 174.62 174.15 3djm s LEU 82 N -0.20 5.91 0.08 4.42 1.43 0.12 -4.96 118.68 125.49 3djm s LEU 82 Ca 0.37 -1.70 -0.31 0.00 -1.03 0.00 0.00 54.13 51.46 3djm s LEU 82 Cb -0.20 -2.25 -0.07 0.00 0.03 0.00 0.00 46.19 43.70 3djm s LEU 82 CO 0.22 -0.94 1.39 -0.75 0.23 0.00 0.00 176.35 176.50 3djm s LYS 83 N 1.95 4.32 -1.53 1.70 2.47 -1.26 -1.29 119.74 126.10 3djm s LYS 83 Ca 0.07 2.04 -0.14 0.00 -1.56 0.00 0.00 55.97 56.37 3djm s LYS 83 Cb -0.27 -3.34 0.11 0.00 -1.46 0.00 0.00 37.83 32.87 3djm s LYS 83 CO 0.04 -0.47 0.77 -0.25 0.16 0.00 0.00 175.35 175.60 3djm n ASP 84 N 4.33 -4.00 0.00 1.43 8.00 -1.22 -4.85 116.55 120.25 3djm n ASP 84 Ca 0.12 -0.75 0.13 0.00 0.71 0.00 0.00 54.79 55.00 3djm n ASP 84 Cb 0.43 -3.24 0.46 0.00 -0.02 0.00 0.00 41.12 38.74 3djm n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3djm n ALA 85 N -4.23 2.83 -2.36 2.24 0.00 -0.61 -4.78 120.51 113.59 3djm n ALA 85 Ca 0.04 -0.20 -0.11 0.00 0.00 0.00 0.00 53.44 53.17 3djm n ALA 85 Cb 0.52 -1.32 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 3djm n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3djm s ALA 86 N -3.01 0.85 0.17 0.00 0.00 -0.87 -0.73 121.76 118.17 3djm s ALA 86 Ca 0.13 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 50.86 3djm s ALA 86 Cb 0.18 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 3djm s ALA 86 CO 0.60 -0.18 0.18 1.67 0.00 0.00 0.00 175.76 178.04 3djm s TRP 87 N -2.99 0.74 -0.19 0.00 -2.14 -0.56 -0.34 118.94 113.46 3djm s TRP 87 Ca 0.05 -1.08 -0.15 0.00 2.66 0.00 0.00 56.10 57.59 3djm s TRP 87 Cb 0.01 -0.31 0.05 0.00 -3.10 0.00 0.00 33.47 30.12 3djm s TRP 87 CO -0.03 -0.65 0.48 0.45 -2.66 0.00 0.00 176.95 174.54 3djm s SER 88 N -3.05 -0.54 -0.74 -2.66 0.15 0.33 -1.39 113.70 105.79 3djm s SER 88 Ca 0.25 1.00 -0.21 0.00 0.70 0.00 0.00 55.95 57.69 3djm s SER 88 Cb 0.05 0.97 0.09 0.00 -1.71 0.00 0.00 66.02 65.42 3djm s SER 88 CO 0.04 -0.18 1.00 -0.31 1.20 0.00 0.00 173.24 174.99 3djm s TYR 89 N 0.67 2.84 -0.30 3.44 2.02 -1.26 -0.89 117.35 123.87 3djm s TYR 89 Ca -0.03 -0.86 0.19 0.00 -0.37 0.00 0.00 57.07 56.00 3djm s TYR 89 Cb -0.05 -4.27 0.19 0.00 -0.40 0.00 0.00 41.96 37.43 3djm s TYR 89 CO -0.05 -1.57 1.48 0.93 -1.57 0.00 0.00 175.55 174.77 3djm h GLU 90 N 9.31 0.00 -2.11 -0.62 5.08 -1.89 -1.54 114.58 122.81 3djm h GLU 90 Ca -0.14 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.65 3djm h GLU 90 Cb 1.06 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.91 3djm h GLU 90 CO 1.16 0.22 -0.99 0.43 -1.00 0.00 0.00 179.01 178.83 3djm n SER 91 N -3.12 0.80 -4.76 1.42 7.64 -1.26 -4.30 113.62 110.04 3djm n SER 91 Ca 0.02 -2.80 -0.33 0.00 1.01 0.00 0.00 58.87 56.78 3djm n SER 91 Cb 0.63 -0.64 0.06 0.00 -1.01 0.00 0.00 64.21 63.25 3djm n SER 91 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3djm s PRO 92 N -1.26 2.64 1.03 1.43 0.02 -1.26 -4.67 135.00 132.92 3djm s PRO 92 Ca 0.35 1.45 -0.12 0.00 0.02 0.00 0.00 61.00 62.70 3djm s PRO 92 Cb 0.14 -1.92 0.21 0.00 0.02 0.00 0.00 34.50 32.95 3djm s PRO 92 CO -0.11 -1.39 1.07 0.15 -0.33 0.00 0.00 177.00 176.40 3djm s LYS 93 N -4.10 0.17 0.27 5.54 1.02 0.72 -4.78 119.74 118.58 3djm s LYS 93 Ca 0.68 0.92 -0.31 0.00 0.02 0.00 0.00 55.97 57.28 3djm s LYS 93 Cb -0.22 -1.67 -0.12 0.00 -0.52 0.00 0.00 37.83 35.30 3djm s LYS 93 CO 0.43 -3.02 1.60 -1.91 -0.92 0.00 0.00 175.35 171.54 3djm n GLU 94 N -4.43 2.65 0.00 1.68 2.13 -1.26 -2.10 120.64 119.32 3djm n GLU 94 Ca 0.06 0.95 0.00 0.00 0.66 0.00 0.00 57.16 58.83 3djm n GLU 94 Cb 0.54 -2.73 0.00 0.00 0.27 0.00 0.00 31.44 29.52 3djm n GLU 94 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3djm n GLY 95 N 2.48 2.59 0.76 8.31 0.00 -1.26 -4.89 105.19 113.17 3djm n GLY 95 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 3djm n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3djm n LEU 96 N 0.00 3.61 0.28 0.99 4.77 -0.89 -4.70 117.00 121.06 3djm n LEU 96 Ca 0.00 -3.09 0.18 0.00 -0.03 0.00 0.00 56.01 53.07 3djm n LEU 96 Cb 0.00 -0.53 0.80 0.00 -2.33 0.00 0.00 43.42 41.36 3djm n LEU 96 CO 0.00 0.72 1.03 -0.33 -1.33 0.00 0.00 177.39 177.48 3djm h GLU 97 N 1.40 0.00 -0.08 3.23 3.07 -1.87 -2.70 114.58 117.63 3djm h GLU 97 Ca 0.02 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.90 3djm h GLU 97 Cb 1.38 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.28 3djm h GLU 97 CO 0.19 0.00 0.06 0.00 -1.40 0.00 0.00 179.01 177.87 3djm h ALA 98 N 2.02 1.96 -0.61 3.43 0.00 -1.96 -1.99 119.26 122.12 3djm h ALA 98 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3djm h ALA 98 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3djm h ALA 98 CO 0.00 -0.11 0.00 0.44 0.00 0.00 0.00 179.25 179.58 3djm n ILE 99 N -4.33 1.96 -1.67 0.00 -5.35 -1.02 -4.94 119.36 104.01 3djm n ILE 99 Ca -0.01 -1.26 -0.42 0.00 -0.27 0.00 0.00 62.75 60.79 3djm n ILE 99 Cb 0.17 0.07 -0.03 0.00 -1.74 0.00 0.00 39.64 38.11 3djm n ILE 99 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3djm s ALA 100 N -1.99 3.59 0.00 -1.28 0.00 -0.75 -1.56 121.76 119.76 3djm s ALA 100 Ca 0.50 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.80 3djm s ALA 100 Cb 0.34 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3djm s ALA 100 CO 0.22 -1.56 0.00 0.41 0.00 0.00 0.00 175.76 174.83 3djm n GLY 101 N 4.54 1.95 3.79 0.00 0.00 -0.58 -4.98 105.19 109.92 3djm n GLY 101 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 3djm n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3djm s TYR 102 N -3.30 2.84 -0.10 1.61 1.51 -0.60 -4.25 117.35 115.05 3djm s TYR 102 Ca 0.00 1.53 -0.02 0.00 -1.01 0.00 0.00 57.07 57.57 3djm s TYR 102 Cb 0.00 -3.09 -0.03 0.00 -0.11 0.00 0.00 41.96 38.72 3djm s TYR 102 CO 0.00 -1.32 0.01 -0.51 -1.11 0.00 0.00 175.55 172.62 3djm s LEU 103 N -4.44 3.60 0.32 -1.29 2.01 0.22 -4.11 118.68 114.98 3djm s LEU 103 Ca 0.66 0.13 0.09 0.00 0.01 0.00 0.00 54.13 55.02 3djm s LEU 103 Cb -0.18 -1.83 -0.06 0.00 0.01 0.00 0.00 46.19 44.12 3djm s LEU 103 CO 0.36 0.35 -0.10 0.00 1.01 0.00 0.00 176.35 177.97 3djm s ALA 104 N -0.73 2.76 0.00 4.21 0.00 -0.49 0.17 121.76 127.68 3djm s ALA 104 Ca 0.12 -2.02 0.02 0.00 0.00 0.00 0.00 51.96 50.07 3djm s ALA 104 Cb -0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 3djm s ALA 104 CO 0.02 0.06 -0.05 -0.06 0.00 0.00 0.00 175.76 175.73 3djm s PHE 105 N -2.71 0.49 -0.06 0.00 0.40 -1.26 -1.49 117.98 113.34 3djm s PHE 105 Ca 0.31 -0.13 -0.30 0.00 -0.60 0.00 0.00 56.93 56.22 3djm s PHE 105 Cb 0.02 -0.31 -0.05 0.00 0.51 0.00 0.00 43.02 43.19 3djm s PHE 105 CO 0.15 -0.02 1.60 0.00 0.70 0.00 0.00 175.22 177.65 3djm s ALA 106 N -0.25 3.62 0.18 5.36 0.00 0.09 -4.92 121.76 125.85 3djm s ALA 106 Ca 0.01 0.89 0.35 0.00 0.00 0.00 0.00 51.96 53.20 3djm s ALA 106 Cb -0.03 -3.72 1.64 0.00 0.00 0.00 0.00 23.12 21.01 3djm s ALA 106 CO -0.00 -1.35 2.05 -1.00 0.00 0.00 0.00 175.76 175.46 3djm h PRO 107 N 9.28 0.00 0.00 0.00 0.13 -1.90 -2.83 132.00 136.68 3djm h PRO 107 Ca -0.38 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3djm h PRO 107 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 3djm h PRO 107 CO 0.95 0.00 -0.01 0.38 -0.23 0.00 0.00 178.00 179.10 3djm h ASP 108 N 0.00 0.00 0.00 1.44 2.03 -1.98 -3.28 116.42 114.63 3djm h ASP 108 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3djm h ASP 108 Cb 0.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.80 3djm h ASP 108 CO 0.00 0.01 0.00 0.00 -1.03 0.00 0.00 179.24 178.22 3djm s THR 110 N 0.00 0.92 -0.05 0.00 -4.23 -1.07 -4.68 115.64 106.52 3djm s THR 110 Ca 0.00 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 58.55 3djm s THR 110 Cb 0.00 -1.91 -0.00 0.00 1.34 0.00 0.00 72.50 71.93 3djm s THR 110 CO 0.00 -0.68 -0.20 -0.75 -0.54 0.00 0.00 174.62 172.45 3djm s LYS 111 N -3.82 2.11 0.02 3.99 2.20 0.36 -4.53 119.74 120.07 3djm s LYS 111 Ca 0.18 -0.71 0.07 0.00 -0.36 0.00 0.00 55.97 55.15 3djm s LYS 111 Cb 0.04 -1.79 -0.02 0.00 -1.51 0.00 0.00 37.83 34.56 3djm s LYS 111 CO 0.01 0.27 -0.21 0.08 -0.36 0.00 0.00 175.35 175.13 3djm s VAL 112 N 0.03 1.71 0.00 4.02 1.01 -1.26 -1.23 120.40 124.68 3djm s VAL 112 Ca -0.05 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.81 3djm s VAL 112 Cb -0.13 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.79 3djm s VAL 112 CO 0.03 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.06 3djm n GLY 113 N 2.09 0.75 3.76 4.51 0.00 -0.81 -5.00 105.19 110.49 3djm n GLY 113 Ca -0.16 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 3djm n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3djm s GLN 114 N -2.00 4.76 0.00 1.61 0.74 -1.26 -1.06 119.66 122.46 3djm s GLN 114 Ca 0.00 1.43 0.30 0.00 0.05 0.00 0.00 55.36 57.14 3djm s GLN 114 Cb 0.00 -3.12 1.78 0.00 1.10 0.00 0.00 33.01 32.76 3djm s GLN 114 CO 0.00 0.44 2.11 0.98 -0.55 0.00 0.00 175.29 178.27