#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j05 s VAL 2 N 0.00 4.20 0.02 3.84 1.01 -1.26 -3.91 120.40 124.30 1j05 s VAL 2 Ca 0.00 1.49 0.02 0.00 0.00 0.00 0.00 61.98 63.49 1j05 s VAL 2 Cb 0.00 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1j05 s VAL 2 CO 0.00 -0.08 -0.07 -1.10 0.00 0.00 0.00 175.10 173.86 1j05 s GLN 3 N 3.01 0.48 -0.19 2.72 -0.21 -0.14 -5.00 119.66 120.33 1j05 s GLN 3 Ca 0.57 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 55.48 1j05 s GLN 3 Cb -0.24 -0.35 0.04 0.00 1.00 0.00 0.00 33.01 33.46 1j05 s GLN 3 CO 0.19 0.08 -0.09 -0.51 -2.12 0.00 0.00 175.29 172.84 1j05 s LEU 4 N -0.85 2.03 -0.28 2.90 2.01 -1.26 -1.34 118.68 121.89 1j05 s LEU 4 Ca -0.04 -0.80 -0.05 0.00 0.01 0.00 0.00 54.13 53.25 1j05 s LEU 4 Cb -0.06 -1.12 0.01 0.00 0.01 0.00 0.00 46.19 45.03 1j05 s LEU 4 CO 0.00 -0.16 0.04 -1.58 1.01 0.00 0.00 176.35 175.67 1j05 s GLN 5 N 1.48 3.06 0.27 1.70 2.00 0.30 -4.08 119.66 124.39 1j05 s GLN 5 Ca -0.00 -0.86 -0.02 0.00 -2.00 0.00 0.00 55.36 52.48 1j05 s GLN 5 Cb -0.16 -3.27 -0.04 0.00 0.80 0.00 0.00 33.01 30.34 1j05 s GLN 5 CO -0.08 -0.41 0.49 -0.65 -0.50 0.00 0.00 175.29 174.13 1j05 s GLN 6 N 1.46 3.54 0.93 1.67 -0.21 -1.26 -0.29 119.66 125.51 1j05 s GLN 6 Ca 0.02 -0.24 -0.12 0.00 0.02 0.00 0.00 55.36 55.04 1j05 s GLN 6 Cb -0.17 -2.73 0.15 0.00 1.00 0.00 0.00 33.01 31.26 1j05 s GLN 6 CO 0.01 0.27 1.10 -1.54 -2.12 0.00 0.00 175.29 173.00 1j05 s SER 7 N -3.44 3.21 0.75 5.90 1.04 -0.82 -4.99 113.70 115.35 1j05 s SER 7 Ca 0.40 1.31 -0.08 0.00 0.48 0.00 0.00 55.95 58.07 1j05 s SER 7 Cb -0.10 -1.98 0.09 0.00 0.10 0.00 0.00 66.02 64.12 1j05 s SER 7 CO 0.31 -2.78 1.07 -0.83 0.98 0.00 0.00 173.24 171.99 1j05 s GLY 8 N -3.52 1.69 0.58 7.32 0.00 -1.26 -4.61 107.32 107.53 1j05 s GLY 8 Ca 0.64 -1.00 -0.19 0.00 0.00 0.00 0.00 44.72 44.17 1j05 s GLY 8 CO 0.57 -0.52 1.07 0.00 0.00 0.00 0.00 173.10 174.21 1j05 n ALA 9 N -3.06 0.50 -2.55 3.20 0.00 -1.26 -4.78 120.51 112.56 1j05 n ALA 9 Ca 0.09 0.05 -0.28 0.00 0.00 0.00 0.00 53.44 53.31 1j05 n ALA 9 Cb 0.60 -2.17 -0.16 0.00 0.00 0.00 0.00 19.45 17.73 1j05 n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1j05 s GLU 10 N -2.76 1.82 -0.29 0.00 0.41 -0.24 -5.00 118.70 112.64 1j05 s GLU 10 Ca 0.75 -0.74 0.00 0.00 -0.41 0.00 0.00 54.97 54.56 1j05 s GLU 10 Cb -0.43 -1.69 0.09 0.00 -1.78 0.00 0.00 34.13 30.32 1j05 s GLU 10 CO 0.48 0.40 0.06 -1.17 -0.49 0.00 0.00 175.26 174.54 1j05 s LEU 11 N -0.35 2.58 0.22 1.80 2.96 -1.26 -0.49 118.68 124.14 1j05 s LEU 11 Ca 0.04 -1.55 0.01 0.00 -0.22 0.00 0.00 54.13 52.42 1j05 s LEU 11 Cb -0.09 -1.01 -0.05 0.00 0.50 0.00 0.00 46.19 45.53 1j05 s LEU 11 CO 0.00 -0.37 0.06 0.68 -1.32 0.00 0.00 176.35 175.40 1j05 s VAL 12 N 1.49 0.58 0.27 1.68 -7.23 -0.20 -4.99 120.40 111.99 1j05 s VAL 12 Ca 0.06 -1.99 0.06 0.00 -1.81 0.00 0.00 61.98 58.30 1j05 s VAL 12 Cb -0.18 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 1j05 s VAL 12 CO -0.17 -0.21 0.37 -1.61 -0.31 0.00 0.00 175.10 173.17 1j05 s GLU 13 N -3.99 3.29 0.15 4.82 2.02 -1.26 -1.45 118.70 122.28 1j05 s GLU 13 Ca 0.32 -0.87 -0.33 0.00 0.02 0.00 0.00 54.97 54.11 1j05 s GLU 13 Cb 0.07 -2.83 -0.17 0.00 0.10 0.00 0.00 34.13 31.30 1j05 s GLU 13 CO 0.09 0.32 0.96 -2.30 0.02 0.00 0.00 175.26 174.36 1j05 n PRO 14 N -1.45 0.62 0.00 0.39 -0.02 -1.26 -1.50 135.00 131.78 1j05 n PRO 14 Ca -0.06 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1j05 n PRO 14 Cb 0.57 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 1j05 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j05 n GLY 15 N 1.84 2.41 2.73 -1.23 0.00 0.12 -4.89 105.19 106.15 1j05 n GLY 15 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1j05 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j05 n ALA 16 N -0.90 -0.87 -2.38 4.61 0.00 -0.56 -4.13 120.51 116.27 1j05 n ALA 16 Ca 0.00 -1.25 -0.19 0.00 0.00 0.00 0.00 53.44 51.99 1j05 n ALA 16 Cb 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 1j05 n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1j05 s SER 17 N -4.34 2.63 0.03 0.00 1.04 -1.26 -1.48 113.70 110.32 1j05 s SER 17 Ca 0.52 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1j05 s SER 17 Cb -0.02 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.94 1j05 s SER 17 CO 0.36 -0.13 -0.04 0.68 0.98 0.00 0.00 173.24 175.10 1j05 s VAL 18 N -2.69 0.19 -0.20 5.02 -7.23 -0.43 -5.00 120.40 110.06 1j05 s VAL 18 Ca 0.21 -0.98 -0.00 0.00 -1.81 0.00 0.00 61.98 59.40 1j05 s VAL 18 Cb -0.02 -0.38 0.05 0.00 0.56 0.00 0.00 36.38 36.59 1j05 s VAL 18 CO 0.07 -0.50 -0.05 -0.75 -0.31 0.00 0.00 175.10 173.56 1j05 s LYS 19 N -1.59 1.51 0.00 4.82 2.20 -1.26 -1.15 119.74 124.27 1j05 s LYS 19 Ca -0.14 -0.73 -0.07 0.00 -0.36 0.00 0.00 55.97 54.67 1j05 s LYS 19 Cb -0.09 -2.29 -0.05 0.00 -1.51 0.00 0.00 37.83 33.89 1j05 s LYS 19 CO -0.01 -0.51 0.27 -0.51 -0.36 0.00 0.00 175.35 174.23 1j05 s LEU 20 N 1.54 4.38 0.19 5.43 1.43 0.82 -4.93 118.68 127.54 1j05 s LEU 20 Ca -0.02 0.58 0.11 0.00 -1.03 0.00 0.00 54.13 53.77 1j05 s LEU 20 Cb -0.17 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 1j05 s LEU 20 CO -0.07 0.26 -0.20 -0.94 0.23 0.00 0.00 176.35 175.63 1j05 s SER 21 N -1.63 3.67 -0.28 2.29 1.04 -1.26 -1.07 113.70 116.45 1j05 s SER 21 Ca 0.27 -0.80 -0.04 0.00 0.48 0.00 0.00 55.95 55.86 1j05 s SER 21 Cb -0.13 -0.38 0.10 0.00 0.10 0.00 0.00 66.02 65.70 1j05 s SER 21 CO 0.15 0.11 0.15 0.00 0.98 0.00 0.00 173.24 174.63 1j05 s THR 23 N 2.14 5.34 0.03 0.00 2.01 0.60 -0.94 115.64 124.82 1j05 s THR 23 Ca 0.09 0.30 -0.04 0.00 0.31 0.00 0.00 61.69 62.34 1j05 s THR 23 Cb -0.16 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 1j05 s THR 23 CO -0.34 0.35 0.25 0.00 -0.69 0.00 0.00 174.62 174.19 1j05 s ALA 24 N 0.95 3.89 0.03 7.40 0.00 -0.42 -0.54 121.76 133.08 1j05 s ALA 24 Ca 0.10 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 1j05 s ALA 24 Cb -0.13 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 1j05 s ALA 24 CO 0.04 0.71 -0.02 -1.12 0.00 0.00 0.00 175.76 175.36 1j05 s SER 25 N -1.99 0.33 0.00 0.00 0.01 -0.45 -4.84 113.70 106.76 1j05 s SER 25 Ca 0.30 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1j05 s SER 25 Cb -0.13 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.24 1j05 s SER 25 CO 0.20 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1j05 n GLY 26 N 1.03 0.46 3.54 3.44 0.00 -1.25 -0.96 105.19 111.44 1j05 n GLY 26 Ca -0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 1j05 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1j05 s PHE 27 N -2.17 -0.34 -0.21 1.61 -0.71 -1.26 -4.72 117.98 110.18 1j05 s PHE 27 Ca 0.00 0.16 -0.20 0.00 -1.04 0.00 0.00 56.93 55.85 1j05 s PHE 27 Cb 0.00 0.56 -0.03 0.00 -1.21 0.00 0.00 43.02 42.35 1j05 s PHE 27 CO 0.00 -0.66 0.58 1.21 -1.34 0.00 0.00 175.22 175.01 1j05 s ASN 28 N -2.61 6.61 0.57 1.98 3.84 -1.26 -4.94 114.94 119.14 1j05 s ASN 28 Ca 0.06 0.74 0.38 0.00 0.21 0.00 0.00 52.86 54.25 1j05 s ASN 28 Cb -0.01 -2.32 2.03 0.00 -0.55 0.00 0.00 41.25 40.39 1j05 s ASN 28 CO -0.07 -0.24 2.16 0.16 -2.79 0.00 0.00 177.10 176.32 1j05 h ILE 29 N 5.19 0.00 0.00 -5.21 3.07 -1.91 0.16 117.51 118.81 1j05 h ILE 29 Ca -0.32 -0.05 0.00 0.00 1.55 0.00 0.00 64.86 66.04 1j05 h ILE 29 Cb 1.15 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 38.62 1j05 h ILE 29 CO 0.76 0.00 0.00 0.11 -1.05 0.00 0.00 178.15 177.97 1j05 h LYS 30 N 0.00 0.00 -0.10 0.16 1.57 -1.92 -0.71 116.57 115.57 1j05 h LYS 30 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j05 h LYS 30 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1j05 h LYS 30 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 1j05 n ASP 31 N -2.49 1.17 -3.76 0.86 8.00 0.04 -4.43 116.55 115.94 1j05 n ASP 31 Ca -0.00 -1.58 -0.13 0.00 0.71 0.00 0.00 54.79 53.79 1j05 n ASP 31 Cb 0.14 -0.06 -0.13 0.00 -0.02 0.00 0.00 41.12 41.05 1j05 n ASP 31 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1j05 s THR 32 N -1.88 -0.03 0.23 -3.53 -4.23 -0.27 -4.29 115.64 101.64 1j05 s THR 32 Ca 0.33 0.09 -0.32 0.00 -1.18 0.00 0.00 61.69 60.61 1j05 s THR 32 Cb 0.17 -0.31 -0.13 0.00 1.34 0.00 0.00 72.50 73.57 1j05 s THR 32 CO 0.27 0.04 1.59 -1.22 -0.54 0.00 0.00 174.62 174.75 1j05 n TYR 33 N 3.71 2.54 -3.58 3.99 4.01 -0.26 -4.37 117.16 123.20 1j05 n TYR 33 Ca -0.20 0.24 -0.40 0.00 -0.16 0.00 0.00 57.90 57.37 1j05 n TYR 33 Cb 0.55 -2.58 -0.11 0.00 -0.31 0.00 0.00 39.34 36.89 1j05 n TYR 33 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1j05 s MET 34 N 0.31 3.22 0.10 -0.72 -1.94 0.49 -0.92 119.30 119.85 1j05 s MET 34 Ca 0.72 -0.82 -0.00 0.00 -1.71 0.00 0.00 55.69 53.88 1j05 s MET 34 Cb -0.58 -3.73 -0.04 0.00 2.01 0.00 0.00 34.83 32.49 1j05 s MET 34 CO 0.42 -0.53 0.27 -1.01 -0.01 0.00 0.00 175.02 174.15 1j05 s HIS 35 N 1.64 3.50 -0.03 -0.03 3.76 -0.17 -1.31 115.29 122.64 1j05 s HIS 35 Ca 0.05 0.28 0.05 0.00 -0.15 0.00 0.00 55.06 55.29 1j05 s HIS 35 Cb -0.18 -1.79 -0.01 0.00 1.11 0.00 0.00 32.58 31.71 1j05 s HIS 35 CO 0.08 0.53 -0.18 -1.58 -0.85 0.00 0.00 174.74 172.74 1j05 s TRP 36 N -1.61 1.78 -0.03 1.40 0.52 -0.53 -1.58 118.94 118.88 1j05 s TRP 36 Ca 0.36 -0.46 0.04 0.00 0.02 0.00 0.00 56.10 56.06 1j05 s TRP 36 Cb -0.12 -1.18 -0.00 0.00 -1.15 0.00 0.00 33.47 31.02 1j05 s TRP 36 CO 0.28 -0.12 -0.13 0.08 0.02 0.00 0.00 176.95 177.07 1j05 s VAL 37 N -0.14 1.11 -0.09 4.03 1.01 0.26 -1.12 120.40 125.45 1j05 s VAL 37 Ca -0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 1j05 s VAL 37 Cb -0.10 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1j05 s VAL 37 CO 0.01 0.33 0.04 -0.75 0.00 0.00 0.00 175.10 174.73 1j05 s LYS 38 N 0.03 3.10 -0.23 2.72 2.20 0.28 -0.12 119.74 127.72 1j05 s LYS 38 Ca -0.02 -0.34 -0.03 0.00 -0.36 0.00 0.00 55.97 55.22 1j05 s LYS 38 Cb -0.09 -2.90 0.08 0.00 -1.51 0.00 0.00 37.83 33.41 1j05 s LYS 38 CO 0.01 0.72 0.09 -1.14 -0.36 0.00 0.00 175.35 174.67 1j05 s GLN 39 N -0.95 0.38 0.73 4.03 0.74 -0.22 -0.67 119.66 123.70 1j05 s GLN 39 Ca 0.14 -0.47 -0.12 0.00 0.05 0.00 0.00 55.36 54.96 1j05 s GLN 39 Cb -0.12 -1.75 0.03 0.00 1.10 0.00 0.00 33.01 32.27 1j05 s GLN 39 CO 0.03 -0.81 1.09 1.03 -0.55 0.00 0.00 175.29 176.08 1j05 s ARG 40 N 1.96 2.51 0.12 1.67 0.52 -1.26 -1.21 118.95 123.26 1j05 s ARG 40 Ca 0.04 1.21 -0.35 0.00 -0.52 0.00 0.00 55.73 56.11 1j05 s ARG 40 Cb -0.17 -1.92 -0.16 0.00 0.52 0.00 0.00 34.95 33.22 1j05 s ARG 40 CO -0.19 -1.46 1.40 -2.30 0.02 0.00 0.00 175.30 172.77 1j05 n PRO 41 N -3.13 1.46 -0.94 3.54 -0.02 -1.26 -0.78 135.00 133.87 1j05 n PRO 41 Ca 0.09 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1j05 n PRO 41 Cb 0.53 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1j05 n PRO 41 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1j05 n GLU 42 N 2.69 -0.39 -3.97 -0.52 1.02 -1.26 -4.96 120.64 113.25 1j05 n GLU 42 Ca 0.17 0.10 -0.23 0.00 -0.02 0.00 0.00 57.16 57.18 1j05 n GLU 42 Cb 0.23 -3.45 -0.05 0.00 -0.02 0.00 0.00 31.44 28.15 1j05 n GLU 42 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1j05 n GLN 43 N -1.83 0.96 -1.20 3.49 6.02 0.04 -5.15 117.38 119.71 1j05 n GLN 43 Ca 0.00 -2.75 -0.11 0.00 -0.01 0.00 0.00 57.00 54.13 1j05 n GLN 43 Cb 0.10 0.93 0.07 0.00 1.02 0.00 0.00 30.24 32.36 1j05 n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1j05 n GLY 44 N 0.29 -0.09 3.81 1.08 0.00 -1.26 -4.65 105.19 104.37 1j05 n GLY 44 Ca -0.13 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 1j05 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j05 s LEU 45 N 0.00 4.40 -0.07 0.99 1.43 -1.26 -4.07 118.68 120.10 1j05 s LEU 45 Ca 0.30 0.79 0.01 0.00 -1.03 0.00 0.00 54.13 54.20 1j05 s LEU 45 Cb -0.01 -2.47 0.02 0.00 0.03 0.00 0.00 46.19 43.75 1j05 s LEU 45 CO 0.20 0.27 -0.07 -0.70 0.23 0.00 0.00 176.35 176.29 1j05 s GLU 46 N -0.65 1.25 0.08 1.70 2.12 0.15 -4.97 118.70 118.38 1j05 s GLU 46 Ca 0.21 -0.21 -0.31 0.00 0.36 0.00 0.00 54.97 55.03 1j05 s GLU 46 Cb -0.15 -1.24 -0.06 0.00 0.26 0.00 0.00 34.13 32.93 1j05 s GLU 46 CO 0.10 -0.14 1.26 -0.46 -0.54 0.00 0.00 175.26 175.48 1j05 s TRP 47 N 1.23 3.37 -0.19 5.30 -0.00 -1.26 -0.55 118.94 126.83 1j05 s TRP 47 Ca -0.05 1.18 -0.10 0.00 -0.00 0.00 0.00 56.10 57.14 1j05 s TRP 47 Cb -0.14 -3.51 -0.21 0.00 -0.00 0.00 0.00 33.47 29.62 1j05 s TRP 47 CO -0.02 -1.64 0.11 -0.89 -0.00 0.00 0.00 176.95 174.51 1j05 n ILE 48 N 3.95 1.63 -3.42 5.86 5.41 -0.27 -4.79 119.36 127.72 1j05 n ILE 48 Ca 0.10 -0.45 0.00 0.00 1.00 0.00 0.00 62.75 63.40 1j05 n ILE 48 Cb 0.45 -1.77 0.00 0.00 -0.71 0.00 0.00 39.64 37.61 1j05 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1j05 n GLY 49 N 1.81 -0.73 3.46 7.39 0.00 -1.23 -1.45 105.19 114.43 1j05 n GLY 49 Ca -0.38 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 1j05 n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1j05 s ARG 50 N -2.00 1.29 0.05 1.61 1.04 -0.44 -1.46 118.95 119.05 1j05 s ARG 50 Ca 0.00 -0.89 0.06 0.00 -1.04 0.00 0.00 55.73 53.86 1j05 s ARG 50 Cb 0.00 0.49 -0.03 0.00 -2.04 0.00 0.00 34.95 33.37 1j05 s ARG 50 CO 0.00 -0.53 -0.17 -1.50 -0.04 0.00 0.00 175.30 173.06 1j05 s ILE 51 N -3.88 1.39 -0.60 4.99 2.07 -0.43 -1.12 121.20 123.62 1j05 s ILE 51 Ca 0.10 -1.16 -0.18 0.00 -1.41 0.00 0.00 60.65 57.99 1j05 s ILE 51 Cb 0.00 -1.24 0.12 0.00 0.13 0.00 0.00 42.46 41.47 1j05 s ILE 51 CO -0.04 0.05 0.67 -0.62 -1.91 0.00 0.00 174.94 173.09 1j05 s ASP 52 N -1.29 6.22 0.41 4.50 -1.08 -0.02 -0.38 116.67 125.02 1j05 s ASP 52 Ca 0.04 -1.59 0.29 0.00 -0.52 0.00 0.00 52.55 50.76 1j05 s ASP 52 Cb -0.09 -2.28 1.46 0.00 -1.46 0.00 0.00 42.92 40.55 1j05 s ASP 52 CO 0.02 -1.03 1.87 -0.65 0.52 0.00 0.00 175.17 175.90 1j05 h PRO 52 N 9.05 0.00 0.00 4.34 0.11 -1.78 0.19 132.00 143.90 1j05 h PRO 52 Ca -0.27 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.79 1j05 h PRO 52 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1j05 h PRO 52 CO 1.07 0.00 -0.26 0.00 -0.21 0.00 0.00 178.00 178.60 1j05 h ALA 53 N 2.05 1.47 0.00 -0.75 0.00 -1.84 -3.35 119.26 116.83 1j05 h ALA 53 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1j05 h ALA 53 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1j05 h ALA 53 CO 0.00 0.33 0.00 0.27 0.00 0.00 0.00 179.25 179.85 1j05 n ASN 54 N -4.09 0.00 0.00 0.00 0.23 -0.81 -5.02 115.26 105.58 1j05 n ASN 54 Ca -0.02 -0.89 0.00 0.00 -0.53 0.00 0.00 54.58 53.14 1j05 n ASN 54 Cb 0.32 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 1j05 n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1j05 n GLY 55 N 0.00 0.73 3.66 4.83 0.00 0.60 -5.01 105.19 110.00 1j05 n GLY 55 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1j05 n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j05 s ASN 56 N -2.45 6.93 0.25 1.61 0.02 -1.21 -4.79 114.94 115.31 1j05 s ASN 56 Ca 0.00 1.76 0.08 0.00 -1.02 0.00 0.00 52.86 53.68 1j05 s ASN 56 Cb 0.00 -2.54 -0.04 0.00 0.02 0.00 0.00 41.25 38.69 1j05 s ASN 56 CO 0.00 -0.76 0.10 -0.44 0.02 0.00 0.00 177.10 176.02 1j05 s SER 57 N 2.03 5.07 -0.01 -1.22 0.01 -1.26 -0.84 113.70 117.47 1j05 s SER 57 Ca 0.57 -0.43 0.06 0.00 1.31 0.00 0.00 55.95 57.46 1j05 s SER 57 Cb -0.23 -1.15 -0.02 0.00 0.21 0.00 0.00 66.02 64.84 1j05 s SER 57 CO 0.17 -0.01 -0.18 -0.54 0.41 0.00 0.00 173.24 173.08 1j05 s LYS 58 N -3.71 1.48 -0.04 12.44 1.02 -0.28 -4.98 119.74 125.67 1j05 s LYS 58 Ca 0.32 -0.68 0.02 0.00 0.02 0.00 0.00 55.97 55.65 1j05 s LYS 58 Cb -0.07 -1.44 0.01 0.00 -0.52 0.00 0.00 37.83 35.81 1j05 s LYS 58 CO 0.22 0.39 -0.10 0.71 -0.92 0.00 0.00 175.35 175.65 1j05 s TYR 59 N -0.47 1.17 0.46 3.18 2.02 -1.26 -1.32 117.35 121.13 1j05 s TYR 59 Ca 0.07 -0.35 -0.25 0.00 -0.37 0.00 0.00 57.07 56.17 1j05 s TYR 59 Cb -0.07 -0.85 -0.08 0.00 -0.40 0.00 0.00 41.96 40.55 1j05 s TYR 59 CO -0.00 -0.17 1.43 0.28 -1.57 0.00 0.00 175.55 175.51 1j05 n VAL 60 N 3.52 2.85 -0.31 0.71 0.31 -0.53 -4.85 118.33 120.02 1j05 n VAL 60 Ca -0.21 -0.50 0.14 0.00 -0.01 0.00 0.00 64.34 63.76 1j05 n VAL 60 Cb 0.53 -1.83 0.32 0.00 -0.91 0.00 0.00 33.84 31.95 1j05 n VAL 60 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1j05 h PRO 61 N 2.24 0.46 0.00 5.55 0.11 -1.98 -1.42 132.00 136.96 1j05 h PRO 61 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1j05 h PRO 61 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1j05 h PRO 61 CO 0.61 0.30 0.00 0.36 -0.21 0.00 0.00 178.00 179.06 1j05 n LYS 62 N -4.99 0.08 0.00 1.05 2.85 -1.26 -1.59 118.16 114.31 1j05 n LYS 62 Ca 0.23 0.36 0.10 0.00 -1.05 0.00 0.00 58.31 57.94 1j05 n LYS 62 Cb 0.65 -1.67 0.06 0.00 -0.65 0.00 0.00 35.03 33.43 1j05 n LYS 62 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1j05 n PHE 63 N -1.83 0.00 -2.14 5.58 3.72 -0.54 -4.89 117.46 117.36 1j05 n PHE 63 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 1j05 n PHE 63 Cb 0.17 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 1j05 n PHE 63 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1j05 s GLN 64 N -1.80 4.33 0.00 -1.08 -0.21 -0.62 -1.36 119.66 118.93 1j05 s GLN 64 Ca 0.22 2.14 0.00 0.00 0.02 0.00 0.00 55.36 57.74 1j05 s GLN 64 Cb 0.16 -3.19 0.00 0.00 1.00 0.00 0.00 33.01 30.99 1j05 s GLN 64 CO 0.31 -0.37 0.00 0.41 -2.12 0.00 0.00 175.29 173.51 1j05 n GLY 65 N 2.78 3.21 0.10 3.09 0.00 -1.26 -4.78 105.19 108.32 1j05 n GLY 65 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1j05 n GLY 65 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1j05 h LYS 66 N 1.83 0.00 -5.75 1.61 1.63 -1.74 -3.45 116.57 110.70 1j05 h LYS 66 Ca 0.00 0.00 -0.67 0.00 -0.85 0.00 0.00 60.65 59.13 1j05 h LYS 66 Cb 0.00 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 31.51 1j05 h LYS 66 CO 0.00 0.80 -0.55 0.00 -3.45 0.00 0.00 179.45 176.25 1j05 s ALA 67 N -2.42 3.56 -0.09 5.00 0.00 -0.46 -2.05 121.76 125.30 1j05 s ALA 67 Ca -0.25 -0.73 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 1j05 s ALA 67 Cb 0.05 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.44 1j05 s ALA 67 CO 0.52 0.55 -0.05 0.99 0.00 0.00 0.00 175.76 177.78 1j05 s THR 68 N -0.80 0.74 -0.15 0.00 2.01 -0.21 -4.82 115.64 112.42 1j05 s THR 68 Ca 0.13 -0.13 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 1j05 s THR 68 Cb -0.12 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 1j05 s THR 68 CO 0.03 0.31 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.62 1j05 s ILE 69 N 1.68 4.06 0.28 1.82 1.01 -1.26 -0.69 121.20 128.09 1j05 s ILE 69 Ca 0.02 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.39 1j05 s ILE 69 Cb -0.13 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1j05 s ILE 69 CO -0.06 0.51 0.15 0.42 0.00 0.00 0.00 174.94 175.96 1j05 s THR 70 N 0.13 0.29 0.03 2.92 -4.23 -0.68 -4.87 115.64 109.23 1j05 s THR 70 Ca -0.00 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.38 1j05 s THR 70 Cb -0.13 -2.53 0.02 0.00 1.34 0.00 0.00 72.50 71.19 1j05 s THR 70 CO 0.02 0.00 0.29 0.00 -0.54 0.00 0.00 174.62 174.39 1j05 s ALA 71 N -3.71 -0.66 -0.29 3.99 0.00 -1.26 -0.38 121.76 119.45 1j05 s ALA 71 Ca 0.37 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1j05 s ALA 71 Cb 0.06 0.26 0.09 0.00 0.00 0.00 0.00 23.12 23.52 1j05 s ALA 71 CO 0.17 -0.37 0.05 0.34 0.00 0.00 0.00 175.76 175.94 1j05 s ASP 72 N -1.90 4.00 0.38 0.00 -1.08 0.17 -5.00 116.67 113.25 1j05 s ASP 72 Ca -0.07 -1.54 0.18 0.00 -0.52 0.00 0.00 52.55 50.60 1j05 s ASP 72 Cb -0.02 -1.05 0.74 0.00 -1.46 0.00 0.00 42.92 41.14 1j05 s ASP 72 CO -0.02 -0.36 1.78 0.71 0.52 0.00 0.00 175.17 177.80 1j05 h THR 73 N 6.56 0.98 0.00 1.71 1.35 -1.88 -1.68 112.91 119.94 1j05 h THR 73 Ca -0.13 -1.43 -0.02 0.00 -0.55 0.00 0.00 66.41 64.28 1j05 h THR 73 Cb 1.04 1.84 -0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1j05 h THR 73 CO 0.45 0.36 -0.11 0.77 -0.25 0.00 0.00 175.52 176.74 1j05 h SER 74 N 0.00 0.00 -0.36 5.36 4.64 -1.95 -1.98 113.55 119.27 1j05 h SER 74 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j05 h SER 74 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1j05 h SER 74 CO 0.05 0.11 0.00 -1.54 -0.87 0.00 0.00 176.83 174.58 1j05 n SER 75 N -3.77 3.59 -3.94 4.97 3.41 -1.09 -4.97 113.62 111.83 1j05 n SER 75 Ca -0.02 -2.48 -0.30 0.00 -0.26 0.00 0.00 58.87 55.81 1j05 n SER 75 Cb 0.22 -0.41 0.02 0.00 -0.26 0.00 0.00 64.21 63.78 1j05 n SER 75 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1j05 n ASN 76 N 0.19 -3.80 -4.18 4.04 5.15 -0.74 -4.75 115.26 111.17 1j05 n ASN 76 Ca 0.18 -0.84 -0.26 0.00 -0.60 0.00 0.00 54.58 53.06 1j05 n ASN 76 Cb 0.68 -3.68 -0.16 0.00 -0.53 0.00 0.00 39.78 36.10 1j05 n ASN 76 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1j05 s THR 77 N -3.39 1.49 0.11 -0.44 2.01 -0.68 -1.30 115.64 113.44 1j05 s THR 77 Ca 0.55 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.79 1j05 s THR 77 Cb -0.28 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 1j05 s THR 77 CO 0.85 0.42 0.02 0.00 -0.69 0.00 0.00 174.62 175.22 1j05 s ALA 78 N -0.38 3.35 0.06 7.40 0.00 -0.12 -0.65 121.76 131.42 1j05 s ALA 78 Ca 0.06 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 50.93 1j05 s ALA 78 Cb -0.08 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 1j05 s ALA 78 CO -0.00 0.66 -0.14 0.71 0.00 0.00 0.00 175.76 176.98 1j05 s TYR 79 N -1.42 1.24 -0.20 0.00 2.02 0.49 -0.46 117.35 119.02 1j05 s TYR 79 Ca 0.27 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.56 1j05 s TYR 79 Cb -0.11 -0.71 0.05 0.00 -0.40 0.00 0.00 41.96 40.78 1j05 s TYR 79 CO 0.19 0.06 -0.09 -1.17 -1.57 0.00 0.00 175.55 172.97 1j05 s LEU 80 N -1.53 2.25 -0.16 -1.29 2.96 -0.23 -1.69 118.68 118.99 1j05 s LEU 80 Ca -0.00 -0.91 -0.08 0.00 -0.22 0.00 0.00 54.13 52.92 1j05 s LEU 80 Cb -0.09 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 1j05 s LEU 80 CO 0.02 -0.16 0.12 -1.58 -1.32 0.00 0.00 176.35 173.42 1j05 s GLN 81 N 1.42 3.76 -0.09 1.98 0.74 0.13 -0.13 119.66 127.47 1j05 s GLN 81 Ca -0.02 -0.21 0.01 0.00 0.05 0.00 0.00 55.36 55.20 1j05 s GLN 81 Cb -0.17 -3.25 0.02 0.00 1.10 0.00 0.00 33.01 30.71 1j05 s GLN 81 CO -0.08 0.54 -0.12 -0.51 -0.55 0.00 0.00 175.29 174.57 1j05 s LEU 82 N -0.34 1.53 0.39 3.68 1.43 -0.30 -1.04 118.68 124.03 1j05 s LEU 82 Ca 0.11 -0.34 0.08 0.00 -1.03 0.00 0.00 54.13 52.95 1j05 s LEU 82 Cb -0.12 -0.90 -0.06 0.00 0.03 0.00 0.00 46.19 45.14 1j05 s LEU 82 CO 0.01 -0.02 0.11 0.42 0.23 0.00 0.00 176.35 177.11 1j05 s THR 82 N 1.07 2.39 -1.37 5.49 -4.23 -0.87 -1.31 115.64 116.81 1j05 s THR 82 Ca -0.06 -1.80 -0.08 0.00 -1.18 0.00 0.00 61.69 58.56 1j05 s THR 82 Cb -0.15 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.75 1j05 s THR 82 CO -0.02 -0.06 0.41 -1.20 -0.54 0.00 0.00 174.62 173.21 1j05 n SER 82 N -1.13 -1.28 -4.75 3.99 7.64 -1.10 -4.80 113.62 112.19 1j05 n SER 82 Ca -0.02 -1.12 -0.41 0.00 1.01 0.00 0.00 58.87 58.33 1j05 n SER 82 Cb 0.64 -2.56 -0.02 0.00 -1.01 0.00 0.00 64.21 61.26 1j05 n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1j05 s LEU 82 N -7.06 4.38 0.50 -3.43 1.43 -0.55 -4.58 118.68 109.37 1j05 s LEU 82 Ca 0.14 2.74 0.01 0.00 -1.03 0.00 0.00 54.13 56.00 1j05 s LEU 82 Cb -0.06 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 1j05 s LEU 82 CO 0.92 -0.73 0.01 0.42 0.23 0.00 0.00 176.35 177.20 1j05 s THR 83 N -0.18 1.12 -0.06 5.49 -4.23 -1.26 0.11 115.64 116.63 1j05 s THR 83 Ca 0.59 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.40 1j05 s THR 83 Cb -0.43 -2.19 0.33 0.00 1.34 0.00 0.00 72.50 71.55 1j05 s THR 83 CO 0.46 0.00 1.91 0.77 -0.54 0.00 0.00 174.62 177.22 1j05 h SER 84 N 1.40 0.00 0.62 3.99 4.64 -1.96 -1.32 113.55 120.91 1j05 h SER 84 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1j05 h SER 84 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1j05 h SER 84 CO 0.73 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 176.07 1j05 n GLU 85 N -2.72 0.11 0.00 4.77 -0.58 -1.26 -2.23 120.64 118.72 1j05 n GLU 85 Ca 0.01 0.35 0.12 0.00 -0.42 0.00 0.00 57.16 57.21 1j05 n GLU 85 Cb 0.23 -1.70 0.17 0.00 -0.57 0.00 0.00 31.44 29.57 1j05 n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1j05 n ASP 86 N -1.90 0.77 -4.65 1.62 8.00 -0.50 -4.86 116.55 115.03 1j05 n ASP 86 Ca 0.03 -0.58 -0.42 0.00 0.71 0.00 0.00 54.79 54.53 1j05 n ASP 86 Cb 0.20 0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 1j05 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1j05 s THR 87 N -2.90 3.40 -0.13 -3.53 2.01 -0.95 -4.82 115.64 108.72 1j05 s THR 87 Ca 0.13 0.48 -0.34 0.00 0.31 0.00 0.00 61.69 62.26 1j05 s THR 87 Cb 0.17 -3.34 0.14 0.00 0.01 0.00 0.00 72.50 69.49 1j05 s THR 87 CO 0.71 -0.08 1.39 0.00 -0.69 0.00 0.00 174.62 175.94 1j05 s ALA 88 N 4.73 -2.37 -0.09 7.40 0.00 -0.63 -4.45 121.76 126.34 1j05 s ALA 88 Ca 0.79 1.15 -0.12 0.00 0.00 0.00 0.00 51.96 53.78 1j05 s ALA 88 Cb -0.34 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 1j05 s ALA 88 CO 0.33 -0.92 0.29 0.08 0.00 0.00 0.00 175.76 175.54 1j05 s VAL 89 N -2.13 5.26 -0.12 0.00 1.01 -0.35 -0.35 120.40 123.73 1j05 s VAL 89 Ca 0.14 0.57 0.01 0.00 0.00 0.00 0.00 61.98 62.69 1j05 s VAL 89 Cb 0.05 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1j05 s VAL 89 CO -0.05 0.52 -0.16 -0.31 0.00 0.00 0.00 175.10 175.10 1j05 s TYR 90 N -0.48 2.74 -0.01 5.22 1.51 0.27 -1.06 117.35 125.54 1j05 s TYR 90 Ca 0.19 -0.77 0.05 0.00 -1.01 0.00 0.00 57.07 55.53 1j05 s TYR 90 Cb -0.14 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.87 1j05 s TYR 90 CO 0.07 -0.28 -0.17 0.71 -1.11 0.00 0.00 175.55 174.78 1j05 s TYR 91 N 0.36 2.61 0.13 2.71 2.02 0.83 -0.35 117.35 125.66 1j05 s TYR 91 Ca -0.13 -0.22 0.05 0.00 -0.37 0.00 0.00 57.07 56.40 1j05 s TYR 91 Cb -0.16 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 1j05 s TYR 91 CO 0.06 0.19 0.07 0.00 -1.57 0.00 0.00 175.55 174.31 1j05 s ALA 93 N -1.59 -1.61 0.45 0.00 0.00 -0.62 -1.01 121.76 117.38 1j05 s ALA 93 Ca 0.29 2.03 -0.20 0.00 0.00 0.00 0.00 51.96 54.08 1j05 s ALA 93 Cb -0.11 -1.41 -0.10 0.00 0.00 0.00 0.00 23.12 21.50 1j05 s ALA 93 CO 0.21 -0.60 0.95 -1.25 0.00 0.00 0.00 175.76 175.07 1j05 s PRO 94 N 2.18 4.15 -0.04 0.00 0.04 -1.25 -1.00 135.00 139.07 1j05 s PRO 94 Ca -0.07 1.06 -0.02 0.00 0.04 0.00 0.00 61.00 62.01 1j05 s PRO 94 Cb -0.09 -2.17 0.03 0.00 0.04 0.00 0.00 34.50 32.30 1j05 s PRO 94 CO -0.17 -0.09 0.05 0.12 0.04 0.00 0.00 177.00 176.96 1j05 s PHE 95 N -2.30 0.12 0.00 0.56 2.19 -0.10 -4.64 117.98 113.82 1j05 s PHE 95 Ca 0.61 0.21 0.00 0.00 0.33 0.00 0.00 56.93 58.08 1j05 s PHE 95 Cb -0.09 -0.51 0.00 0.00 -1.31 0.00 0.00 43.02 41.10 1j05 s PHE 95 CO 0.18 -0.21 0.00 0.41 1.83 0.00 0.00 175.22 177.43 1j05 n GLY 96 N 5.29 0.89 0.26 13.12 0.00 -0.40 -1.10 105.19 123.26 1j05 n GLY 96 Ca -0.03 -0.37 0.01 0.00 0.00 0.00 0.00 46.02 45.62 1j05 n GLY 96 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1j05 h TYR 97 N 0.00 -0.35 -0.17 1.61 3.20 -1.80 0.54 116.97 120.00 1j05 h TYR 97 Ca 0.00 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1j05 h TYR 97 Cb 0.00 0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1j05 h TYR 97 CO 0.00 -0.29 0.00 0.66 -1.64 0.00 0.00 178.16 176.89 1j05 n TYR 98 N -5.46 0.21 0.03 -3.82 4.01 -1.26 -4.30 117.16 106.57 1j05 n TYR 98 Ca 0.09 -0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1j05 n TYR 98 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 1j05 n TYR 98 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1j05 n VAL 99 N 0.56 0.21 -3.28 -0.72 0.31 -0.83 -5.01 118.33 109.57 1j05 n VAL 99 Ca 0.17 0.07 -0.21 0.00 -0.01 0.00 0.00 64.34 64.36 1j05 n VAL 99 Cb 0.40 -1.08 -0.08 0.00 -0.91 0.00 0.00 33.84 32.17 1j05 n VAL 99 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1j05 s SER 100 N -5.17 1.01 0.18 4.52 0.15 0.12 -4.96 113.70 109.55 1j05 s SER 100 Ca 0.00 -2.37 0.16 0.00 0.70 0.00 0.00 55.95 54.44 1j05 s SER 100 Cb 0.00 0.23 -0.03 0.00 -1.71 0.00 0.00 66.02 64.51 1j05 s SER 100 CO 0.00 -0.19 1.16 -0.78 1.20 0.00 0.00 173.24 174.64 1j05 h ASP 101 N 6.03 0.00 0.00 5.45 3.58 -1.67 -1.05 116.42 128.76 1j05 h ASP 101 Ca 0.16 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.26 1j05 h ASP 101 Cb 0.99 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.97 1j05 h ASP 101 CO 0.25 0.53 -2.33 -1.22 -2.88 0.00 0.00 179.24 173.60 1j05 n TYR 101 N -3.07 0.00 -2.36 0.28 4.01 -1.26 -4.81 117.16 109.95 1j05 n TYR 101 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1j05 n TYR 101 Cb 0.78 -0.91 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 1j05 n TYR 101 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1j05 n ALA 101 N -3.10 0.00 -3.34 -0.72 0.00 -1.26 -5.10 120.51 106.99 1j05 n ALA 101 Ca -0.40 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 52.58 1j05 n ALA 101 Cb 0.97 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.39 1j05 n ALA 101 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1j05 s MET 101 N 0.80 3.51 0.12 0.00 -1.94 -1.26 -4.83 119.30 115.69 1j05 s MET 101 Ca 0.00 -2.38 0.26 0.00 -1.71 0.00 0.00 55.69 51.85 1j05 s MET 101 Cb 0.00 -4.40 0.69 0.00 2.01 0.00 0.00 34.83 33.13 1j05 s MET 101 CO 0.00 -1.29 1.60 0.00 -0.01 0.00 0.00 175.02 175.32 1j05 n ALA 101 N 4.10 2.67 -3.60 3.03 0.00 -1.26 -4.80 120.51 120.65 1j05 n ALA 101 Ca 0.11 -0.15 -0.25 0.00 0.00 0.00 0.00 53.44 53.15 1j05 n ALA 101 Cb 0.46 -1.32 -0.17 0.00 0.00 0.00 0.00 19.45 18.42 1j05 n ALA 101 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1j05 s TYR 102 N -3.09 1.36 -0.01 0.00 2.02 -1.26 -5.14 117.35 111.22 1j05 s TYR 102 Ca 0.10 -0.54 0.04 0.00 -0.37 0.00 0.00 57.07 56.30 1j05 s TYR 102 Cb 0.14 -1.06 -0.01 0.00 -0.40 0.00 0.00 41.96 40.64 1j05 s TYR 102 CO 0.64 -0.33 -0.14 -1.58 -1.57 0.00 0.00 175.55 172.58 1j05 s TRP 103 N 0.98 1.25 1.16 2.71 0.52 -1.26 -3.92 118.94 120.36 1j05 s TRP 103 Ca -0.09 -0.25 -0.15 0.00 0.02 0.00 0.00 56.10 55.63 1j05 s TRP 103 Cb -0.15 -0.81 0.27 0.00 -1.15 0.00 0.00 33.47 31.63 1j05 s TRP 103 CO 0.00 -0.03 1.05 0.20 0.02 0.00 0.00 176.95 178.19 1j05 s GLY 104 N -0.28 1.53 0.00 0.98 0.00 -0.18 -4.66 107.32 104.71 1j05 s GLY 104 Ca 0.04 -0.47 0.30 0.00 0.00 0.00 0.00 44.72 44.59 1j05 s GLY 104 CO -0.00 0.29 1.97 0.61 0.00 0.00 0.00 173.10 175.96 1j05 n GLN 105 N -4.76 0.37 0.00 2.90 0.00 -1.26 -4.78 117.38 109.85 1j05 n GLN 105 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 57.00 57.02 1j05 n GLN 105 Cb 0.57 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.31 1j05 n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1j05 n GLY 106 N 1.34 1.08 3.07 2.61 0.00 -1.26 -5.02 105.19 107.00 1j05 n GLY 106 Ca 0.12 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 1j05 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j05 s THR 107 N -2.28 1.77 0.04 2.61 2.01 0.52 -4.89 115.64 115.42 1j05 s THR 107 Ca 0.00 -0.77 -0.26 0.00 0.31 0.00 0.00 61.69 60.97 1j05 s THR 107 Cb 0.00 -1.62 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 1j05 s THR 107 CO 0.00 0.49 0.83 -0.55 -0.69 0.00 0.00 174.62 174.70 1j05 s SER 108 N 1.31 7.26 -0.12 3.53 0.15 -1.26 -0.56 113.70 124.01 1j05 s SER 108 Ca 0.03 1.51 0.02 0.00 0.70 0.00 0.00 55.95 58.21 1j05 s SER 108 Cb -0.13 -2.50 0.01 0.00 -1.71 0.00 0.00 66.02 61.69 1j05 s SER 108 CO -0.10 -0.06 -0.19 -0.69 1.20 0.00 0.00 173.24 173.40 1j05 s VAL 109 N 0.22 1.80 -0.14 4.45 1.01 0.53 -1.08 120.40 127.20 1j05 s VAL 109 Ca 0.42 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1j05 s VAL 109 Cb -0.21 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1j05 s VAL 109 CO 0.24 0.50 -0.20 -0.89 0.00 0.00 0.00 175.10 174.76 1j05 s THR 110 N 0.77 2.31 -0.40 3.92 2.01 0.35 -1.61 115.64 122.99 1j05 s THR 110 Ca -0.10 -0.90 -0.06 0.00 0.31 0.00 0.00 61.69 60.94 1j05 s THR 110 Cb -0.16 -1.94 0.09 0.00 0.01 0.00 0.00 72.50 70.51 1j05 s THR 110 CO 0.01 0.54 0.21 -0.69 -0.69 0.00 0.00 174.62 173.99 1j05 s VAL 111 N 0.72 3.69 0.01 3.82 1.01 -1.26 -1.03 120.40 127.36 1j05 s VAL 111 Ca -0.08 -1.68 -0.28 0.00 0.00 0.00 0.00 61.98 59.94 1j05 s VAL 111 Cb -0.16 -3.35 0.10 0.00 0.00 0.00 0.00 36.38 32.97 1j05 s VAL 111 CO 0.01 -0.54 0.83 -0.94 0.00 0.00 0.00 175.10 174.46 1j05 s SER 112 N 1.93 -0.42 0.00 3.32 1.04 -0.53 -4.55 113.70 114.50 1j05 s SER 112 Ca 0.04 0.06 0.14 0.00 0.48 0.00 0.00 55.95 56.66 1j05 s SER 112 Cb -0.23 0.43 0.82 0.00 0.10 0.00 0.00 66.02 67.14 1j05 s SER 112 CO -0.01 -0.67 1.24 -1.20 0.98 0.00 0.00 173.24 173.58