#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 4.12 0.01 3.84 1.01 -1.26 -4.04 120.40 124.09 1j05 s VAL 2 Ca 0.00 1.49 0.01 0.00 0.00 0.00 0.00 61.98 63.48 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 0.04 -0.04 -1.10 0.00 0.00 0.00 175.10 174.00 1j05 s GLN 3 N 1.78 0.31 -0.20 2.72 -0.21 -0.17 -5.00 119.66 118.89 1j05 s GLN 3 Ca 0.58 -0.34 0.01 0.00 0.02 0.00 0.00 55.36 55.62 1j05 s GLN 3 Cb -0.27 -0.17 0.04 0.00 1.00 0.00 0.00 33.01 33.61 1j05 s GLN 3 CO 0.25 0.04 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.84 1j05 s LEU 4 N -0.67 2.38 -0.28 2.90 1.43 -1.26 -0.69 118.68 122.49 1j05 s LEU 4 Ca -0.05 -0.93 -0.05 0.00 -1.03 0.00 0.00 54.13 52.08 1j05 s LEU 4 Cb -0.05 -1.28 0.02 0.00 0.03 0.00 0.00 46.19 44.91 1j05 s LEU 4 CO -0.00 -0.14 0.04 -1.58 0.23 0.00 0.00 176.35 174.90 1j05 s GLN 5 N 1.36 2.99 0.29 1.70 2.00 -0.31 -3.95 119.66 123.74 1j05 s GLN 5 Ca -0.02 -0.91 -0.02 0.00 -2.00 0.00 0.00 55.36 52.42 1j05 s GLN 5 Cb -0.16 -3.26 -0.04 0.00 0.80 0.00 0.00 33.01 30.34 1j05 s GLN 5 CO -0.08 -0.44 0.51 -0.65 -0.50 0.00 0.00 175.29 174.12 1j05 s GLN 6 N 1.44 3.54 0.85 1.67 -0.21 -1.26 -0.78 119.66 124.91 1j05 s GLN 6 Ca 0.02 -0.23 -0.12 0.00 0.02 0.00 0.00 55.36 55.05 1j05 s GLN 6 Cb -0.17 -2.71 0.10 0.00 1.00 0.00 0.00 33.01 31.23 1j05 s GLN 6 CO 0.00 0.24 1.11 -1.54 -2.12 0.00 0.00 175.29 172.98 1j05 s SER 7 N -3.51 4.05 0.92 5.90 1.04 -0.74 -4.98 113.70 116.38 1j05 s SER 7 Ca 0.41 1.21 -0.14 0.00 0.48 0.00 0.00 55.95 57.91 1j05 s SER 7 Cb -0.10 -1.89 0.15 0.00 0.10 0.00 0.00 66.02 64.28 1j05 s SER 7 CO 0.32 -2.24 1.21 -0.83 0.98 0.00 0.00 173.24 172.68 1j05 s GLY 8 N -3.89 1.65 0.61 7.32 0.00 -1.26 -4.62 107.32 107.12 1j05 s GLY 8 Ca 0.62 -0.82 -0.19 0.00 0.00 0.00 0.00 44.72 44.33 1j05 s GLY 8 CO 0.54 -0.18 1.12 0.00 0.00 0.00 0.00 173.10 174.58 1j05 n ALA 9 N -3.73 0.66 -3.07 3.20 0.00 -1.26 -4.77 120.51 111.54 1j05 n ALA 9 Ca 0.10 0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 1j05 n ALA 9 Cb 0.60 -2.21 -0.17 0.00 0.00 0.00 0.00 19.45 17.67 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 -2.95 2.57 -0.22 0.00 0.41 0.46 -4.99 118.70 113.97 1j05 s GLU 10 Ca 0.77 -0.79 0.01 0.00 -0.41 0.00 0.00 54.97 54.55 1j05 s GLU 10 Cb -0.41 -2.05 0.05 0.00 -1.78 0.00 0.00 34.13 29.94 1j05 s GLU 10 CO 0.45 0.23 -0.09 -1.17 -0.49 0.00 0.00 175.26 174.19 1j05 s LEU 11 N 0.19 2.64 0.12 1.80 2.96 -1.26 -0.10 118.68 125.03 1j05 s LEU 11 Ca -0.12 -1.09 -0.03 0.00 -0.22 0.00 0.00 54.13 52.68 1j05 s LEU 11 Cb -0.16 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 1j05 s LEU 11 CO 0.06 -0.18 0.08 0.68 -1.32 0.00 0.00 176.35 175.68 1j05 s VAL 12 N 1.32 0.12 0.39 1.68 -7.23 0.14 -4.99 120.40 111.83 1j05 s VAL 12 Ca -0.04 -1.77 -0.02 0.00 -1.81 0.00 0.00 61.98 58.34 1j05 s VAL 12 Cb -0.18 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 1j05 s VAL 12 CO -0.07 -0.55 0.63 -1.61 -0.31 0.00 0.00 175.10 173.19 1j05 s GLU 13 N -4.00 3.52 0.28 4.82 2.02 -1.26 -1.20 118.70 122.88 1j05 s GLU 13 Ca 0.19 -0.12 -0.29 0.00 0.02 0.00 0.00 54.97 54.76 1j05 s GLU 13 Cb 0.07 -2.56 -0.13 0.00 0.10 0.00 0.00 34.13 31.60 1j05 s GLU 13 CO -0.01 0.03 1.25 -2.30 0.02 0.00 0.00 175.26 174.24 1j05 n PRO 14 N -1.88 1.82 0.00 0.39 -0.02 -1.26 -1.74 135.00 132.31 1j05 n PRO 14 Ca -0.03 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1j05 n PRO 14 Cb 0.56 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 1.43 1.77 3.37 -1.23 0.00 0.15 -4.88 105.19 105.80 1j05 n GLY 15 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.06 -1.48 -2.42 4.61 0.00 -0.71 -4.17 120.51 115.29 1j05 n ALA 16 Ca 0.00 -1.52 -0.21 0.00 0.00 0.00 0.00 53.44 51.71 1j05 n ALA 16 Cb 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.27 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 -5.20 2.66 0.04 0.00 1.04 -1.26 -1.38 113.70 109.60 1j05 s SER 17 Ca 0.66 -1.20 -0.00 0.00 0.48 0.00 0.00 55.95 55.89 1j05 s SER 17 Cb -0.02 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 1j05 s SER 17 CO 0.47 -0.37 -0.04 0.68 0.98 0.00 0.00 173.24 174.96 1j05 s VAL 18 N -3.06 0.23 -0.19 5.02 -7.23 -0.23 -5.00 120.40 109.94 1j05 s VAL 18 Ca 0.29 -1.35 -0.00 0.00 -1.81 0.00 0.00 61.98 59.11 1j05 s VAL 18 Cb 0.04 -0.89 0.05 0.00 0.56 0.00 0.00 36.38 36.14 1j05 s VAL 18 CO 0.12 -0.72 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.39 1j05 s LYS 19 N -2.62 1.43 0.10 4.82 2.20 -1.26 -0.80 119.74 123.61 1j05 s LYS 19 Ca -0.04 -0.68 -0.06 0.00 -0.36 0.00 0.00 55.97 54.83 1j05 s LYS 19 Cb -0.02 -2.24 -0.05 0.00 -1.51 0.00 0.00 37.83 34.01 1j05 s LYS 19 CO -0.05 -0.51 0.35 -0.51 -0.36 0.00 0.00 175.35 174.27 1j05 s LEU 20 N 1.57 4.31 0.19 5.43 1.43 0.19 -4.92 118.68 126.88 1j05 s LEU 20 Ca -0.02 0.61 0.11 0.00 -1.03 0.00 0.00 54.13 53.81 1j05 s LEU 20 Cb -0.17 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 1j05 s LEU 20 CO -0.07 0.12 -0.24 -0.94 0.23 0.00 0.00 176.35 175.45 1j05 s SER 21 N -2.14 3.42 -0.28 2.29 1.04 -1.26 -1.18 113.70 115.59 1j05 s SER 21 Ca 0.36 -0.87 -0.03 0.00 0.48 0.00 0.00 55.95 55.90 1j05 s SER 21 Cb -0.13 -0.25 0.09 0.00 0.10 0.00 0.00 66.02 65.83 1j05 s SER 21 CO 0.22 0.12 0.11 0.00 0.98 0.00 0.00 173.24 174.66 1j05 s THR 23 N 1.92 5.28 0.08 0.00 2.01 0.04 -1.04 115.64 123.93 1j05 s THR 23 Ca 0.08 0.40 -0.09 0.00 0.31 0.00 0.00 61.69 62.39 1j05 s THR 23 Cb -0.17 -3.60 -0.06 0.00 0.01 0.00 0.00 72.50 68.69 1j05 s THR 23 CO -0.28 0.29 0.39 0.00 -0.69 0.00 0.00 174.62 174.33 1j05 s ALA 24 N 1.29 3.74 0.04 7.40 0.00 -0.33 -1.17 121.76 132.73 1j05 s ALA 24 Ca 0.12 -0.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.65 1j05 s ALA 24 Cb -0.14 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 1j05 s ALA 24 CO 0.07 0.58 -0.00 -1.54 0.00 0.00 0.00 175.76 174.87 1j05 s SER 25 N -1.84 0.33 0.00 0.00 1.04 0.13 -4.85 113.70 108.51 1j05 s SER 25 Ca 0.34 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1j05 s SER 25 Cb -0.14 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1j05 s SER 25 CO 0.19 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1j05 n GLY 26 N 0.78 1.05 3.45 7.32 0.00 -1.26 -1.00 105.19 115.53 1j05 n GLY 26 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.63 -0.50 -0.16 1.61 -0.71 -1.26 -4.74 117.98 109.59 1j05 s PHE 27 Ca 0.00 0.36 -0.23 0.00 -1.04 0.00 0.00 56.93 56.02 1j05 s PHE 27 Cb 0.00 0.54 -0.02 0.00 -1.21 0.00 0.00 43.02 42.33 1j05 s PHE 27 CO 0.00 -0.75 0.74 1.21 -1.34 0.00 0.00 175.22 175.08 1j05 s ASN 28 N -2.54 6.88 0.33 1.98 3.84 -1.26 -4.95 114.94 119.22 1j05 s ASN 28 Ca 0.01 1.07 0.25 0.00 0.21 0.00 0.00 52.86 54.40 1j05 s ASN 28 Cb -0.01 -2.41 1.16 0.00 -0.55 0.00 0.00 41.25 39.43 1j05 s ASN 28 CO -0.10 -0.30 1.75 0.16 -2.79 0.00 0.00 177.10 175.82 1j05 h ILE 29 N 5.09 0.00 0.00 -5.21 3.07 -1.94 -1.04 117.51 117.48 1j05 h ILE 29 Ca -0.32 -0.16 0.00 0.00 1.55 0.00 0.00 64.86 65.93 1j05 h ILE 29 Cb 1.15 0.84 0.00 0.00 -0.27 0.00 0.00 36.82 38.53 1j05 h ILE 29 CO 0.80 0.00 0.00 0.29 -1.05 0.00 0.00 178.15 178.19 1j05 n LYS 30 N -2.36 0.14 -0.22 0.16 5.02 -1.26 -1.72 118.16 117.92 1j05 n LYS 30 Ca 0.00 0.47 0.08 0.00 -2.02 0.00 0.00 58.31 56.84 1j05 n LYS 30 Cb 0.16 -1.83 0.22 0.00 -0.02 0.00 0.00 35.03 33.56 1j05 n LYS 30 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1j05 n ASP 31 N -2.11 2.43 -4.20 4.39 8.00 -0.39 -4.47 116.55 120.20 1j05 n ASP 31 Ca 0.01 -1.98 -0.12 0.00 0.71 0.00 0.00 54.79 53.42 1j05 n ASP 31 Cb 0.15 -0.29 -0.10 0.00 -0.02 0.00 0.00 41.12 40.86 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 -1.42 0.48 -0.03 -3.53 -4.23 -0.70 -4.26 115.64 101.95 1j05 s THR 32 Ca 0.31 -1.95 -0.19 0.00 -1.18 0.00 0.00 61.69 58.68 1j05 s THR 32 Cb 0.16 -2.04 -0.05 0.00 1.34 0.00 0.00 72.50 71.91 1j05 s THR 32 CO 0.22 -0.52 0.54 -0.31 -0.54 0.00 0.00 174.62 174.00 1j05 s TYR 33 N -3.79 3.65 -0.37 3.99 2.02 0.79 -4.14 117.35 119.51 1j05 s TYR 33 Ca 0.22 1.10 -0.13 0.00 -0.37 0.00 0.00 57.07 57.90 1j05 s TYR 33 Cb 0.07 -2.55 0.01 0.00 -0.40 0.00 0.00 41.96 39.09 1j05 s TYR 33 CO 0.02 0.36 0.24 -1.64 -1.57 0.00 0.00 175.55 172.96 1j05 s MET 34 N -0.15 3.05 0.20 -0.62 -1.94 0.20 -0.77 119.30 119.27 1j05 s MET 34 Ca 0.29 -0.94 -0.04 0.00 -1.71 0.00 0.00 55.69 53.29 1j05 s MET 34 Cb -0.17 -3.82 -0.05 0.00 2.01 0.00 0.00 34.83 32.80 1j05 s MET 34 CO 0.15 -0.64 0.43 -1.01 -0.01 0.00 0.00 175.02 173.94 1j05 s HIS 35 N 1.64 3.47 -0.01 -0.03 3.76 -0.07 -1.52 115.29 122.53 1j05 s HIS 35 Ca 0.04 0.53 0.07 0.00 -0.15 0.00 0.00 55.06 55.55 1j05 s HIS 35 Cb -0.19 -2.00 -0.02 0.00 1.11 0.00 0.00 32.58 31.49 1j05 s HIS 35 CO 0.08 0.35 -0.22 -1.58 -0.85 0.00 0.00 174.74 172.53 1j05 s TRP 36 N -1.83 1.94 -0.03 1.40 0.52 -0.28 -1.36 118.94 119.30 1j05 s TRP 36 Ca 0.41 -0.37 0.03 0.00 0.02 0.00 0.00 56.10 56.20 1j05 s TRP 36 Cb -0.11 -1.24 0.00 0.00 -1.15 0.00 0.00 33.47 30.96 1j05 s TRP 36 CO 0.27 -0.03 -0.13 0.08 0.02 0.00 0.00 176.95 177.16 1j05 s VAL 37 N -0.52 1.10 -0.00 4.03 1.01 -0.27 -1.30 120.40 124.45 1j05 s VAL 37 Ca 0.08 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1j05 s VAL 37 Cb -0.08 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1j05 s VAL 37 CO -0.01 0.33 0.05 -0.75 0.00 0.00 0.00 175.10 174.72 1j05 s LYS 38 N 0.12 2.94 -0.27 2.72 2.20 0.72 -0.79 119.74 127.39 1j05 s LYS 38 Ca -0.03 -0.54 -0.04 0.00 -0.36 0.00 0.00 55.97 55.00 1j05 s LYS 38 Cb -0.10 -2.78 0.09 0.00 -1.51 0.00 0.00 37.83 33.54 1j05 s LYS 38 CO 0.01 0.64 0.13 -1.14 -0.36 0.00 0.00 175.35 174.64 1j05 s GLN 39 N -1.65 0.17 0.78 4.03 0.74 0.20 -0.64 119.66 123.30 1j05 s GLN 39 Ca 0.21 -0.41 -0.12 0.00 0.05 0.00 0.00 55.36 55.10 1j05 s GLN 39 Cb -0.12 -1.25 0.07 0.00 1.10 0.00 0.00 33.01 32.81 1j05 s GLN 39 CO 0.12 -0.95 1.12 1.03 -0.55 0.00 0.00 175.29 176.06 1j05 s ARG 40 N 2.13 2.03 0.08 1.67 0.52 -1.26 -1.18 118.95 122.94 1j05 s ARG 40 Ca 0.08 1.36 -0.35 0.00 -0.52 0.00 0.00 55.73 56.30 1j05 s ARG 40 Cb -0.16 -1.86 -0.15 0.00 0.52 0.00 0.00 34.95 33.31 1j05 s ARG 40 CO -0.31 -1.85 1.56 -2.30 0.02 0.00 0.00 175.30 172.42 1j05 n PRO 41 N -3.43 1.81 -1.59 3.54 -0.02 -1.26 -1.14 135.00 132.91 1j05 n PRO 41 Ca 0.10 0.65 -0.18 0.00 -2.02 0.00 0.00 63.50 62.05 1j05 n PRO 41 Cb 0.52 -2.39 -0.07 0.00 -0.02 0.00 0.00 33.50 31.54 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 3.66 -1.43 -2.78 -0.52 1.02 -1.26 -4.96 120.64 114.36 1j05 n GLU 42 Ca 0.19 1.08 -0.10 0.00 -0.02 0.00 0.00 57.16 58.30 1j05 n GLU 42 Cb 0.25 -5.44 -0.02 0.00 -0.02 0.00 0.00 31.44 26.22 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 -2.26 1.53 -0.65 3.49 6.02 -0.29 -5.15 117.38 120.06 1j05 n GLN 43 Ca -0.19 -1.21 -0.03 0.00 -0.01 0.00 0.00 57.00 55.56 1j05 n GLN 43 Cb 0.61 0.29 0.02 0.00 1.02 0.00 0.00 30.24 32.18 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 2.96 0.05 3.79 1.08 0.00 -1.26 -4.68 105.19 107.12 1j05 n GLY 44 Ca -0.06 -1.86 -0.37 0.00 0.00 0.00 0.00 46.02 43.73 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 4.36 -0.07 0.99 1.43 -1.26 -4.18 118.68 119.95 1j05 s LEU 45 Ca 0.09 0.75 0.02 0.00 -1.03 0.00 0.00 54.13 53.97 1j05 s LEU 45 Cb -0.00 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.74 1j05 s LEU 45 CO 0.06 0.21 -0.14 -1.61 0.23 0.00 0.00 176.35 175.10 1j05 s GLU 46 N -0.32 1.91 0.06 1.70 2.02 0.18 -4.97 118.70 119.29 1j05 s GLU 46 Ca 0.21 -0.48 -0.30 0.00 0.02 0.00 0.00 54.97 54.41 1j05 s GLU 46 Cb -0.15 -1.56 -0.05 0.00 0.10 0.00 0.00 34.13 32.47 1j05 s GLU 46 CO 0.09 0.04 1.11 -0.46 0.02 0.00 0.00 175.26 176.06 1j05 s TRP 47 N 0.66 3.54 -0.24 1.61 -0.00 -1.26 -0.20 118.94 123.05 1j05 s TRP 47 Ca -0.14 1.48 -0.15 0.00 -0.00 0.00 0.00 56.10 57.28 1j05 s TRP 47 Cb -0.16 -3.30 -0.16 0.00 -0.00 0.00 0.00 33.47 29.85 1j05 s TRP 47 CO 0.04 -0.75 -0.05 -0.89 -0.00 0.00 0.00 176.95 175.30 1j05 n ILE 48 N 3.69 1.55 -3.65 5.86 5.41 -0.42 -4.77 119.36 127.03 1j05 n ILE 48 Ca 0.07 -0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.55 1j05 n ILE 48 Cb 0.48 -1.90 0.00 0.00 -0.71 0.00 0.00 39.64 37.51 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 1.46 -1.24 3.35 7.39 0.00 -1.22 -1.72 105.19 113.21 1j05 n GLY 49 Ca -0.43 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.30 1.13 0.07 1.61 3.03 -0.67 -1.13 118.95 121.69 1j05 s ARG 50 Ca 0.00 -0.89 0.08 0.00 2.03 0.00 0.00 55.73 56.95 1j05 s ARG 50 Cb 0.00 0.44 -0.03 0.00 -1.03 0.00 0.00 34.95 34.33 1j05 s ARG 50 CO 0.00 -0.44 -0.23 -1.50 -1.13 0.00 0.00 175.30 172.01 1j05 s ILE 51 N -3.87 1.86 -0.61 4.99 2.07 -0.58 -1.17 121.20 123.90 1j05 s ILE 51 Ca 0.08 -1.40 -0.20 0.00 -1.41 0.00 0.00 60.65 57.72 1j05 s ILE 51 Cb 0.02 -1.63 0.09 0.00 0.13 0.00 0.00 42.46 41.06 1j05 s ILE 51 CO -0.07 0.16 0.80 -0.62 -1.91 0.00 0.00 174.94 173.31 1j05 s ASP 52 N -1.48 6.18 0.39 4.50 -1.08 0.32 -0.63 116.67 124.87 1j05 s ASP 52 Ca 0.09 -1.21 0.28 0.00 -0.52 0.00 0.00 52.55 51.18 1j05 s ASP 52 Cb -0.09 -2.35 1.33 0.00 -1.46 0.00 0.00 42.92 40.34 1j05 s ASP 52 CO 0.03 -1.23 1.84 -0.65 0.52 0.00 0.00 175.17 175.67 1j05 h PRO 52 N 9.33 0.00 0.00 4.34 0.11 -1.78 -0.12 132.00 143.87 1j05 h PRO 52 Ca -0.29 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 1j05 h PRO 52 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1j05 h PRO 52 CO 1.13 0.00 -0.17 0.00 -0.21 0.00 0.00 178.00 178.75 1j05 h ALA 53 N 2.09 1.03 0.00 -0.75 0.00 -1.85 -3.35 119.26 116.43 1j05 h ALA 53 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1j05 h ALA 53 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1j05 h ALA 53 CO 0.00 0.21 0.00 0.27 0.00 0.00 0.00 179.25 179.73 1j05 n ASN 54 N -3.33 0.17 0.00 0.00 0.23 -0.86 -5.02 115.26 106.44 1j05 n ASN 54 Ca 0.00 -1.03 0.00 0.00 -0.53 0.00 0.00 54.58 53.02 1j05 n ASN 54 Cb 0.40 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 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 -0.01 0.91 3.68 4.83 0.00 -0.11 -5.02 105.19 109.47 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 -2.96 7.11 0.26 1.61 0.01 -1.21 -4.79 114.94 114.98 1j05 s ASN 56 Ca 0.00 1.59 0.08 0.00 -0.71 0.00 0.00 52.86 53.82 1j05 s ASN 56 Cb 0.00 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 1j05 s ASN 56 CO 0.00 -0.58 0.11 -0.44 -1.51 0.00 0.00 177.10 174.68 1j05 s SER 57 N 1.35 5.07 -0.02 -1.22 0.01 -1.26 -0.52 113.70 117.11 1j05 s SER 57 Ca 0.50 -0.45 0.05 0.00 1.31 0.00 0.00 55.95 57.37 1j05 s SER 57 Cb -0.20 -1.13 -0.01 0.00 0.21 0.00 0.00 66.02 64.90 1j05 s SER 57 CO 0.16 -0.04 -0.18 -0.54 0.41 0.00 0.00 173.24 173.04 1j05 s LYS 58 N -3.78 1.53 -0.06 12.44 1.02 -0.31 -4.99 119.74 125.58 1j05 s LYS 58 Ca 0.33 -0.65 0.02 0.00 0.02 0.00 0.00 55.97 55.69 1j05 s LYS 58 Cb -0.07 -1.45 0.02 0.00 -0.52 0.00 0.00 37.83 35.81 1j05 s LYS 58 CO 0.23 0.37 -0.10 0.71 -0.92 0.00 0.00 175.35 175.64 1j05 s TYR 59 N -0.36 1.25 0.51 3.18 2.02 -1.26 -1.67 117.35 121.02 1j05 s TYR 59 Ca 0.05 -0.44 -0.22 0.00 -0.37 0.00 0.00 57.07 56.09 1j05 s TYR 59 Cb -0.08 -0.95 -0.06 0.00 -0.40 0.00 0.00 41.96 40.47 1j05 s TYR 59 CO -0.00 -0.26 1.26 0.14 -1.57 0.00 0.00 175.55 175.12 1j05 s VAL 60 N 0.76 2.61 0.29 0.71 -7.23 -0.70 -4.85 120.40 111.99 1j05 s VAL 60 Ca -0.13 0.45 0.02 0.00 -1.81 0.00 0.00 61.98 60.51 1j05 s VAL 60 Cb -0.15 -3.23 0.31 0.00 0.56 0.00 0.00 36.38 33.88 1j05 s VAL 60 CO 0.02 -0.01 1.64 -0.65 -0.31 0.00 0.00 175.10 175.80 1j05 h PRO 61 N 1.71 0.19 0.00 4.82 0.11 -1.98 -0.52 132.00 136.33 1j05 h PRO 61 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1j05 h PRO 61 Cb 1.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1j05 h PRO 61 CO 0.59 0.13 0.00 0.36 -0.21 0.00 0.00 178.00 178.86 1j05 n LYS 62 N -5.24 0.09 0.00 1.05 2.85 -1.26 -1.67 118.16 113.98 1j05 n LYS 62 Ca 0.22 0.30 0.12 0.00 -1.05 0.00 0.00 58.31 57.90 1j05 n LYS 62 Cb 0.70 -1.65 0.13 0.00 -0.65 0.00 0.00 35.03 33.56 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 -1.81 0.00 -2.08 5.58 3.72 -0.21 -4.86 117.46 117.79 1j05 n PHE 63 Ca 0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.02 1j05 n PHE 63 Cb 0.21 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 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 -2.08 4.31 0.00 -1.08 -0.21 -0.67 -1.53 119.66 118.39 1j05 s GLN 64 Ca 0.27 2.22 0.00 0.00 0.02 0.00 0.00 55.36 57.87 1j05 s GLN 64 Cb 0.20 -3.14 0.00 0.00 1.00 0.00 0.00 33.01 31.06 1j05 s GLN 64 CO 0.35 -0.38 0.00 0.41 -2.12 0.00 0.00 175.29 173.55 1j05 n GLY 65 N 2.39 3.02 0.12 3.09 0.00 -1.26 -4.80 105.19 107.74 1j05 n GLY 65 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1j05 n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1j05 n LYS 66 N -1.32 0.60 -4.09 1.61 3.00 -0.59 -4.83 118.16 112.54 1j05 n LYS 66 Ca 0.00 0.43 -0.35 0.00 -0.00 0.00 0.00 58.31 58.38 1j05 n LYS 66 Cb 0.00 -1.65 -0.09 0.00 0.00 0.00 0.00 35.03 33.29 1j05 n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j05 s ALA 67 N -2.44 3.50 -0.11 3.14 0.00 -0.65 -2.37 121.76 122.84 1j05 s ALA 67 Ca -0.32 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1j05 s ALA 67 Cb 0.09 -1.79 0.02 0.00 0.00 0.00 0.00 23.12 21.44 1j05 s ALA 67 CO 0.58 0.44 -0.13 0.99 0.00 0.00 0.00 175.76 177.63 1j05 s THR 68 N -0.43 1.37 -0.15 0.00 2.01 -0.34 -4.83 115.64 113.28 1j05 s THR 68 Ca 0.10 -0.56 -0.03 0.00 0.31 0.00 0.00 61.69 61.50 1j05 s THR 68 Cb -0.12 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 1j05 s THR 68 CO 0.02 0.42 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.70 1j05 s ILE 69 N 1.09 3.94 0.31 1.82 1.01 -1.26 -0.66 121.20 127.45 1j05 s ILE 69 Ca -0.05 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.28 1j05 s ILE 69 Cb -0.14 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 1j05 s ILE 69 CO -0.03 0.50 0.13 0.42 0.00 0.00 0.00 174.94 175.97 1j05 s THR 70 N 0.22 0.49 0.02 2.92 -4.23 -0.71 -4.85 115.64 109.50 1j05 s THR 70 Ca -0.02 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.41 1j05 s THR 70 Cb -0.14 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1j05 s THR 70 CO 0.03 0.00 0.15 0.00 -0.54 0.00 0.00 174.62 174.25 1j05 s ALA 71 N -3.57 -0.30 -0.27 3.99 0.00 -1.26 -0.53 121.76 119.82 1j05 s ALA 71 Ca 0.35 -0.23 -0.00 0.00 0.00 0.00 0.00 51.96 52.08 1j05 s ALA 71 Cb 0.06 0.17 0.08 0.00 0.00 0.00 0.00 23.12 23.43 1j05 s ALA 71 CO 0.16 -0.26 0.04 0.34 0.00 0.00 0.00 175.76 176.04 1j05 s ASP 72 N -1.67 3.82 0.37 0.00 2.15 0.77 -5.00 116.67 117.12 1j05 s ASP 72 Ca -0.11 -1.39 0.16 0.00 0.43 0.00 0.00 52.55 51.64 1j05 s ASP 72 Cb -0.05 -0.97 0.70 0.00 -0.30 0.00 0.00 42.92 42.30 1j05 s ASP 72 CO -0.01 -0.34 1.76 0.71 -0.17 0.00 0.00 175.17 177.13 1j05 h THR 73 N 6.56 1.07 0.00 1.71 1.35 -1.88 -1.83 112.91 119.88 1j05 h THR 73 Ca -0.14 -1.49 -0.02 0.00 -0.55 0.00 0.00 66.41 64.22 1j05 h THR 73 Cb 1.05 1.85 -0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1j05 h THR 73 CO 0.43 0.39 -0.07 0.77 -0.25 0.00 0.00 175.52 176.79 1j05 h SER 74 N 0.00 0.00 -0.26 5.36 4.64 -1.94 -1.19 113.55 120.15 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 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1j05 h SER 74 CO 0.05 0.07 0.00 -1.54 -0.87 0.00 0.00 176.83 174.54 1j05 n SER 75 N -3.86 3.12 -4.01 4.97 3.41 -1.01 -4.98 113.62 111.26 1j05 n SER 75 Ca -0.02 -2.40 -0.30 0.00 -0.26 0.00 0.00 58.87 55.89 1j05 n SER 75 Cb 0.17 -0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 63.79 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 -0.03 -2.51 -4.02 4.04 5.15 -0.45 -4.73 115.26 112.70 1j05 n ASN 76 Ca 0.14 -0.93 -0.20 0.00 -0.60 0.00 0.00 54.58 52.99 1j05 n ASN 76 Cb 0.58 -3.26 -0.15 0.00 -0.53 0.00 0.00 39.78 36.41 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 -3.55 0.80 0.14 -0.44 2.01 -0.84 -1.18 115.64 112.58 1j05 s THR 77 Ca 0.41 -0.40 0.06 0.00 0.31 0.00 0.00 61.69 62.07 1j05 s THR 77 Cb -0.22 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 1j05 s THR 77 CO 0.88 0.24 0.02 0.00 -0.69 0.00 0.00 174.62 175.07 1j05 s ALA 78 N -0.04 3.30 0.07 7.40 0.00 -0.21 -0.16 121.76 132.12 1j05 s ALA 78 Ca 0.01 -1.24 0.04 0.00 0.00 0.00 0.00 51.96 50.78 1j05 s ALA 78 Cb -0.06 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 1j05 s ALA 78 CO 0.00 0.58 -0.13 0.71 0.00 0.00 0.00 175.76 176.92 1j05 s TYR 79 N -1.55 1.09 -0.17 0.00 1.51 0.31 -0.11 117.35 118.43 1j05 s TYR 79 Ca 0.27 -0.49 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1j05 s TYR 79 Cb -0.10 -0.62 0.03 0.00 -0.11 0.00 0.00 41.96 41.16 1j05 s TYR 79 CO 0.19 0.03 -0.11 -1.17 -1.11 0.00 0.00 175.55 173.38 1j05 s LEU 80 N -1.79 1.86 -0.15 -1.29 2.96 -0.32 -1.73 118.68 118.21 1j05 s LEU 80 Ca -0.03 -0.65 -0.08 0.00 -0.22 0.00 0.00 54.13 53.15 1j05 s LEU 80 Cb -0.09 -1.13 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 1j05 s LEU 80 CO 0.02 -0.12 0.12 -1.58 -1.32 0.00 0.00 176.35 173.47 1j05 s GLN 81 N 1.49 3.75 -0.09 1.98 0.74 0.17 0.53 119.66 128.23 1j05 s GLN 81 Ca 0.02 -0.21 0.03 0.00 0.05 0.00 0.00 55.36 55.25 1j05 s GLN 81 Cb -0.14 -3.25 0.01 0.00 1.10 0.00 0.00 33.01 30.73 1j05 s GLN 81 CO -0.09 0.54 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.49 1j05 s LEU 82 N -0.34 1.88 0.37 3.68 1.43 0.02 -1.20 118.68 124.52 1j05 s LEU 82 Ca 0.11 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 52.84 1j05 s LEU 82 Cb -0.12 -1.17 -0.07 0.00 0.03 0.00 0.00 46.19 44.87 1j05 s LEU 82 CO 0.01 0.08 -0.05 0.42 0.23 0.00 0.00 176.35 177.05 1j05 s THR 82 N 0.62 2.12 -1.29 5.49 -4.23 -1.00 -1.07 115.64 116.27 1j05 s THR 82 Ca -0.14 -2.12 -0.15 0.00 -1.18 0.00 0.00 61.69 58.11 1j05 s THR 82 Cb -0.16 -2.79 0.01 0.00 1.34 0.00 0.00 72.50 70.89 1j05 s THR 82 CO 0.04 -0.12 0.55 -1.20 -0.54 0.00 0.00 174.62 173.35 1j05 n SER 82 N -0.86 -2.64 -4.77 3.99 7.64 -1.18 -4.81 113.62 111.00 1j05 n SER 82 Ca -0.05 -1.11 -0.39 0.00 1.01 0.00 0.00 58.87 58.32 1j05 n SER 82 Cb 0.65 -2.66 0.01 0.00 -1.01 0.00 0.00 64.21 61.20 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 -6.98 4.15 0.41 -3.43 1.43 -0.48 -4.58 118.68 109.20 1j05 s LEU 82 Ca 0.27 2.74 0.04 0.00 -1.03 0.00 0.00 54.13 56.15 1j05 s LEU 82 Cb -0.12 -3.95 -0.02 0.00 0.03 0.00 0.00 46.19 42.13 1j05 s LEU 82 CO 0.91 -1.01 0.15 0.42 0.23 0.00 0.00 176.35 177.06 1j05 s THR 83 N -1.25 0.51 0.16 5.49 -4.23 -1.26 0.32 115.64 115.36 1j05 s THR 83 Ca 0.59 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.45 1j05 s THR 83 Cb -0.40 -2.34 0.39 0.00 1.34 0.00 0.00 72.50 71.49 1j05 s THR 83 CO 0.51 0.00 2.03 0.28 -0.54 0.00 0.00 174.62 176.90 1j05 h SER 84 N 1.80 0.00 0.70 3.99 0.02 -1.97 0.26 113.55 118.35 1j05 h SER 84 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1j05 h SER 84 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1j05 h SER 84 CO 0.54 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.61 1j05 n GLU 85 N -3.03 0.13 0.00 3.45 -0.58 -1.26 -1.75 120.64 117.60 1j05 n GLU 85 Ca 0.00 0.35 0.12 0.00 -0.42 0.00 0.00 57.16 57.21 1j05 n GLU 85 Cb 0.26 -1.74 0.26 0.00 -0.57 0.00 0.00 31.44 29.65 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 -1.99 0.66 -4.66 1.62 8.00 0.08 -4.85 116.55 115.41 1j05 n ASP 86 Ca 0.03 -0.45 -0.42 0.00 0.71 0.00 0.00 54.79 54.66 1j05 n ASP 86 Cb 0.22 0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 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 -2.88 3.10 -0.01 -3.53 2.01 -0.72 -4.85 115.64 108.76 1j05 s THR 87 Ca 0.14 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 1j05 s THR 87 Cb 0.18 -3.09 0.12 0.00 0.01 0.00 0.00 72.50 69.71 1j05 s THR 87 CO 0.66 -0.01 1.28 0.00 -0.69 0.00 0.00 174.62 175.86 1j05 s ALA 88 N 4.34 -2.27 -0.17 7.40 0.00 -0.61 -4.38 121.76 126.06 1j05 s ALA 88 Ca 0.86 0.54 -0.09 0.00 0.00 0.00 0.00 51.96 53.27 1j05 s ALA 88 Cb -0.41 0.47 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 1j05 s ALA 88 CO 0.39 -1.07 0.14 0.08 0.00 0.00 0.00 175.76 175.30 1j05 s VAL 89 N -2.34 5.44 -0.12 0.00 1.01 -0.32 -0.37 120.40 123.70 1j05 s VAL 89 Ca 0.17 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1j05 s VAL 89 Cb 0.04 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 1j05 s VAL 89 CO -0.03 0.49 -0.12 -0.31 0.00 0.00 0.00 175.10 175.14 1j05 s TYR 90 N -0.06 2.83 0.04 5.22 1.51 0.12 -0.62 117.35 126.38 1j05 s TYR 90 Ca 0.10 -0.48 0.07 0.00 -1.01 0.00 0.00 57.07 55.75 1j05 s TYR 90 Cb -0.11 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.89 1j05 s TYR 90 CO 0.00 -0.09 -0.19 0.71 -1.11 0.00 0.00 175.55 174.87 1j05 s TYR 91 N 0.10 2.54 0.13 2.71 2.02 0.03 -1.17 117.35 123.71 1j05 s TYR 91 Ca -0.05 -0.27 0.05 0.00 -0.37 0.00 0.00 57.07 56.43 1j05 s TYR 91 Cb -0.15 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.91 1j05 s TYR 91 CO 0.04 0.23 0.07 0.00 -1.57 0.00 0.00 175.55 174.33 1j05 s ALA 93 N -1.58 -1.57 0.45 0.00 0.00 -0.46 -1.20 121.76 117.40 1j05 s ALA 93 Ca 0.29 2.08 -0.19 0.00 0.00 0.00 0.00 51.96 54.13 1j05 s ALA 93 Cb -0.11 -1.23 -0.10 0.00 0.00 0.00 0.00 23.12 21.68 1j05 s ALA 93 CO 0.21 -0.34 0.95 -1.25 0.00 0.00 0.00 175.76 175.34 1j05 s PRO 94 N 1.49 4.13 -0.05 0.00 0.04 -1.26 -0.89 135.00 138.47 1j05 s PRO 94 Ca -0.09 1.04 -0.02 0.00 0.04 0.00 0.00 61.00 61.97 1j05 s PRO 94 Cb -0.06 -2.18 0.03 0.00 0.04 0.00 0.00 34.50 32.33 1j05 s PRO 94 CO -0.16 -0.10 0.03 0.12 0.04 0.00 0.00 177.00 176.93 1j05 s PHE 95 N -2.31 0.30 -0.24 0.56 2.19 0.05 -4.66 117.98 113.86 1j05 s PHE 95 Ca 0.61 0.08 -0.33 0.00 0.33 0.00 0.00 56.93 57.62 1j05 s PHE 95 Cb -0.09 -0.58 0.16 0.00 -1.31 0.00 0.00 43.02 41.20 1j05 s PHE 95 CO 0.19 -0.23 1.27 0.20 1.83 0.00 0.00 175.22 178.48 1j05 s GLY 96 N 1.97 -0.13 0.22 13.12 0.00 -0.60 -0.15 107.32 121.75 1j05 s GLY 96 Ca 0.03 2.16 -0.10 0.00 0.00 0.00 0.00 44.72 46.81 1j05 s GLY 96 CO -0.04 0.81 1.67 -1.82 0.00 0.00 0.00 173.10 173.73 1j05 h TYR 97 N 2.08 0.05 -0.07 1.90 3.20 -1.82 0.06 116.97 122.37 1j05 h TYR 97 Ca -0.08 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1j05 h TYR 97 Cb 1.17 0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.51 1j05 h TYR 97 CO 0.25 -0.13 0.00 0.66 -1.64 0.00 0.00 178.16 177.30 1j05 n TYR 98 N -5.24 0.07 0.02 -3.82 4.01 -1.26 -4.35 117.16 106.59 1j05 n TYR 98 Ca 0.10 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 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 0.32 0.33 -3.27 -0.72 0.31 -0.81 -5.00 118.33 109.49 1j05 n VAL 99 Ca 0.18 0.11 -0.15 0.00 -0.01 0.00 0.00 64.34 64.46 1j05 n VAL 99 Cb 0.37 -1.38 -0.06 0.00 -0.91 0.00 0.00 33.84 31.85 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 -5.26 0.62 0.11 4.52 0.15 -0.06 -4.95 113.70 108.83 1j05 s SER 100 Ca 0.00 -1.81 0.11 0.00 0.70 0.00 0.00 55.95 54.95 1j05 s SER 100 Cb 0.00 0.69 -0.15 0.00 -1.71 0.00 0.00 66.02 64.86 1j05 s SER 100 CO 0.00 -0.20 1.11 -0.78 1.20 0.00 0.00 173.24 174.57 1j05 h ASP 101 N 6.50 0.00 0.02 5.45 3.58 -1.72 -1.60 116.42 128.66 1j05 h ASP 101 Ca 0.09 0.00 -0.39 0.00 0.42 0.00 0.00 57.03 57.15 1j05 h ASP 101 Cb 1.05 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.04 1j05 h ASP 101 CO 0.19 0.84 -2.31 -1.22 -2.88 0.00 0.00 179.24 173.86 1j05 n TYR 101 N -3.19 0.32 -2.14 0.28 4.01 -1.26 -4.83 117.16 110.35 1j05 n TYR 101 Ca -0.05 0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1j05 n TYR 101 Cb 0.91 -1.04 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 -3.45 0.00 -3.36 -0.72 0.00 -1.26 -5.09 120.51 106.64 1j05 n ALA 101 Ca -0.44 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.54 1j05 n ALA 101 Cb 0.95 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.36 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 1.40 3.24 0.20 0.00 -1.94 -1.26 -4.86 119.30 116.08 1j05 s MET 101 Ca 0.00 -2.14 0.24 0.00 -1.71 0.00 0.00 55.69 52.09 1j05 s MET 101 Cb 0.00 -4.31 0.44 0.00 2.01 0.00 0.00 34.83 32.97 1j05 s MET 101 CO 0.00 -1.29 1.46 0.00 -0.01 0.00 0.00 175.02 175.18 1j05 h ALA 101 N 8.21 0.75 -3.59 3.03 0.00 -1.90 -3.45 119.26 122.30 1j05 h ALA 101 Ca -0.07 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.31 1j05 h ALA 101 Cb 1.06 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.53 1j05 h ALA 101 CO 0.87 0.00 -0.82 0.71 0.00 0.00 0.00 179.25 180.01 1j05 s TYR 102 N -3.18 1.49 0.05 0.00 2.02 -1.26 -5.14 117.35 111.34 1j05 s TYR 102 Ca 0.07 -0.50 0.05 0.00 -0.37 0.00 0.00 57.07 56.32 1j05 s TYR 102 Cb 0.11 -1.06 -0.02 0.00 -0.40 0.00 0.00 41.96 40.59 1j05 s TYR 102 CO 0.69 -0.23 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.71 1j05 s TRP 103 N 0.43 1.31 1.00 2.71 0.52 -1.26 -4.03 118.94 119.62 1j05 s TRP 103 Ca -0.10 -0.38 -0.12 0.00 0.02 0.00 0.00 56.10 55.52 1j05 s TRP 103 Cb -0.14 -0.76 0.19 0.00 -1.15 0.00 0.00 33.47 31.61 1j05 s TRP 103 CO 0.03 0.05 1.08 0.20 0.02 0.00 0.00 176.95 178.33 1j05 s GLY 104 N -1.30 1.59 0.00 0.98 0.00 -0.34 -4.59 107.32 103.65 1j05 s GLY 104 Ca 0.02 -0.10 0.28 0.00 0.00 0.00 0.00 44.72 44.92 1j05 s GLY 104 CO 0.02 0.48 1.95 0.61 0.00 0.00 0.00 173.10 176.16 1j05 n GLN 105 N -4.30 0.22 0.00 2.90 0.00 -1.25 -4.75 117.38 110.20 1j05 n GLN 105 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 57.00 57.08 1j05 n GLN 105 Cb 0.55 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.29 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 1.26 0.78 2.98 2.61 0.00 -1.26 -5.04 105.19 106.52 1j05 n GLY 106 Ca 0.10 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.30 1.49 -0.06 2.61 2.01 -0.32 -4.88 115.64 114.20 1j05 s THR 107 Ca 0.00 -0.79 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 1j05 s THR 107 Cb 0.00 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 1j05 s THR 107 CO 0.00 0.26 1.11 -0.44 -0.69 0.00 0.00 174.62 174.85 1j05 s SER 108 N 1.48 7.16 -0.16 3.53 0.01 -1.26 -0.70 113.70 123.76 1j05 s SER 108 Ca 0.01 1.71 -0.01 0.00 1.31 0.00 0.00 55.95 58.98 1j05 s SER 108 Cb -0.15 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.51 1j05 s SER 108 CO -0.09 -0.49 -0.13 -0.69 0.41 0.00 0.00 173.24 172.25 1j05 s VAL 109 N 1.93 2.90 -0.14 3.43 1.01 0.50 -0.40 120.40 129.62 1j05 s VAL 109 Ca 0.53 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1j05 s VAL 109 Cb -0.22 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 33.93 1j05 s VAL 109 CO 0.22 0.50 -0.21 -0.89 0.00 0.00 0.00 175.10 174.72 1j05 s THR 110 N 0.77 2.00 -0.40 3.92 2.01 0.86 -1.58 115.64 123.22 1j05 s THR 110 Ca -0.05 -0.94 -0.12 0.00 0.31 0.00 0.00 61.69 60.90 1j05 s THR 110 Cb -0.15 -1.78 0.04 0.00 0.01 0.00 0.00 72.50 70.62 1j05 s THR 110 CO 0.01 0.54 0.25 -0.69 -0.69 0.00 0.00 174.62 174.04 1j05 s VAL 111 N 0.92 4.65 -0.14 3.82 1.01 -1.26 -0.68 120.40 128.73 1j05 s VAL 111 Ca -0.05 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.81 1j05 s VAL 111 Cb -0.15 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.60 1j05 s VAL 111 CO -0.04 -0.34 0.41 -0.55 0.00 0.00 0.00 175.10 174.58 1j05 s SER 112 N 1.80 -0.42 0.00 3.32 0.15 -0.34 -4.59 113.70 113.62 1j05 s SER 112 Ca 0.03 0.77 0.26 0.00 0.70 0.00 0.00 55.95 57.70 1j05 s SER 112 Cb -0.21 0.79 0.57 0.00 -1.71 0.00 0.00 66.02 65.47 1j05 s SER 112 CO 0.06 -0.19 1.47 -1.54 1.20 0.00 0.00 173.24 174.25