#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hja s VAL 17 N 0.00 4.88 -0.82 1.39 1.01 -1.24 -3.81 120.40 121.80 1hja s VAL 17 Ca 0.00 1.62 -0.02 0.00 0.00 0.00 0.00 61.98 63.58 1hja s VAL 17 Cb 0.00 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1hja s VAL 17 CO 0.00 0.01 0.70 0.59 0.00 0.00 0.00 175.10 176.40 1hja n ASN 18 N 5.34 -3.00 -0.69 3.32 5.03 -1.26 -5.05 115.26 118.96 1hja n ASN 18 Ca 0.05 -0.39 0.00 0.00 0.87 0.00 0.00 54.58 55.11 1hja n ASN 18 Cb 0.49 -3.51 0.00 0.00 -1.02 0.00 0.00 39.78 35.73 1hja n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1hja n GLY 19 N -1.22 1.59 3.29 7.41 0.00 -1.25 -5.14 105.19 109.87 1hja n GLY 19 Ca -0.12 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 43.75 1hja n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1hja s GLU 20 N 1.68 0.69 0.29 1.61 -1.05 -1.26 -5.13 118.70 115.53 1hja s GLU 20 Ca 0.00 0.01 -0.30 0.00 -0.15 0.00 0.00 54.97 54.53 1hja s GLU 20 Cb 0.00 0.31 -0.11 0.00 -0.44 0.00 0.00 34.13 33.89 1hja s GLU 20 CO 0.00 -0.18 1.61 -2.00 0.95 0.00 0.00 175.26 175.63 1hja s GLU 21 N -1.02 4.12 0.34 -4.83 2.12 -1.26 -4.99 118.70 113.18 1hja s GLU 21 Ca -0.11 2.59 -0.04 0.00 0.36 0.00 0.00 54.97 57.77 1hja s GLU 21 Cb -0.04 -3.02 -0.05 0.00 0.26 0.00 0.00 34.13 31.28 1hja s GLU 21 CO 0.04 -0.65 0.61 0.00 -0.54 0.00 0.00 175.26 174.73 1hja s ALA 22 N 0.07 3.58 0.19 6.30 0.00 -1.26 -5.04 121.76 125.60 1hja s ALA 22 Ca 0.64 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 51.71 1hja s ALA 22 Cb -0.48 -2.34 -0.09 0.00 0.00 0.00 0.00 23.12 20.20 1hja s ALA 22 CO 0.47 0.07 1.40 0.08 0.00 0.00 0.00 175.76 177.78 1hja s VAL 23 N -2.26 3.00 -0.13 0.00 1.01 -1.26 -4.91 120.40 115.85 1hja s VAL 23 Ca 0.44 0.78 -0.33 0.00 0.00 0.00 0.00 61.98 62.88 1hja s VAL 23 Cb -0.10 -3.50 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 1hja s VAL 23 CO 0.34 0.10 1.99 -2.65 0.00 0.00 0.00 175.10 174.88 1hja n PRO 24 N 3.02 2.09 -0.71 2.72 -0.02 -1.26 -2.18 135.00 138.65 1hja n PRO 24 Ca 0.08 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1hja n PRO 24 Cb 0.41 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 1hja n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hja n GLY 25 N 4.93 0.73 0.08 -1.23 0.00 -1.26 -4.96 105.19 103.48 1hja n GLY 25 Ca 0.26 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.41 1hja n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hja n SER 26 N 0.00 0.56 -3.35 1.61 3.41 -0.93 -3.92 113.62 111.00 1hja n SER 26 Ca 0.00 0.56 -0.26 0.00 -0.26 0.00 0.00 58.87 58.91 1hja n SER 26 Cb 0.00 -0.71 -0.08 0.00 -0.26 0.00 0.00 64.21 63.16 1hja n SER 26 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1hja n TRP 27 N -2.03 1.85 0.11 7.33 7.02 -1.26 -5.00 117.44 125.46 1hja n TRP 27 Ca 0.06 -3.89 0.06 0.00 -1.02 0.00 0.00 57.50 52.70 1hja n TRP 27 Cb 0.38 -0.45 0.34 0.00 -2.42 0.00 0.00 31.31 29.16 1hja n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1hja n PRO 28 N 1.19 0.08 0.00 -0.99 -0.04 -1.25 -2.27 135.00 131.72 1hja n PRO 28 Ca 0.26 0.55 0.11 0.00 -0.04 0.00 0.00 63.50 64.38 1hja n PRO 28 Cb 0.46 -1.86 0.06 0.00 -0.04 0.00 0.00 33.50 32.12 1hja n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1hja n TRP 29 N -1.93 0.00 -2.14 0.54 2.14 -1.00 -1.33 117.44 113.73 1hja n TRP 29 Ca -0.01 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.14 1hja n TRP 29 Cb 0.11 -0.09 -0.03 0.00 -0.81 0.00 0.00 31.31 30.49 1hja n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1hja s GLN 30 N -2.91 4.16 0.32 -2.67 2.00 -0.96 -0.70 119.66 118.90 1hja s GLN 30 Ca 0.11 1.98 0.09 0.00 -2.00 0.00 0.00 55.36 55.55 1hja s GLN 30 Cb 0.17 -3.93 -0.05 0.00 0.80 0.00 0.00 33.01 30.00 1hja s GLN 30 CO 0.75 -0.85 -0.03 0.14 -0.50 0.00 0.00 175.29 174.80 1hja s VAL 31 N 4.00 2.65 -0.17 1.34 -7.23 -0.39 -4.55 120.40 116.05 1hja s VAL 31 Ca 0.68 -2.05 -0.00 0.00 -1.81 0.00 0.00 61.98 58.79 1hja s VAL 31 Cb -0.29 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 33.93 1hja s VAL 31 CO 0.25 -0.25 -0.15 -0.55 -0.31 0.00 0.00 175.10 174.10 1hja s SER 32 N -3.67 3.65 -0.30 4.85 0.15 -0.87 -2.04 113.70 115.47 1hja s SER 32 Ca 0.33 -0.49 -0.17 0.00 0.70 0.00 0.00 55.95 56.33 1hja s SER 32 Cb -0.01 -1.57 -0.02 0.00 -1.71 0.00 0.00 66.02 62.71 1hja s SER 32 CO 0.18 0.06 0.46 -0.76 1.20 0.00 0.00 173.24 174.39 1hja s LEU 33 N 0.96 4.17 0.19 3.45 1.43 0.56 -1.18 118.68 128.26 1hja s LEU 33 Ca -0.03 0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.36 1hja s LEU 33 Cb -0.15 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.48 1hja s LEU 33 CO -0.02 -0.32 -0.13 -1.10 0.23 0.00 0.00 176.35 175.00 1hja s GLN 34 N 2.25 1.26 0.42 1.70 -0.21 -0.46 -0.80 119.66 123.82 1hja s GLN 34 Ca 0.18 -1.55 -0.07 0.00 0.02 0.00 0.00 55.36 53.95 1hja s GLN 34 Cb -0.16 -1.00 0.10 0.00 1.00 0.00 0.00 33.01 32.95 1hja s GLN 34 CO 0.11 0.16 0.57 -0.40 -2.12 0.00 0.00 175.29 173.61 1hja n ASP 35 N -0.31 0.09 -0.20 5.90 5.68 -0.40 -0.58 116.55 126.73 1hja n ASP 35 Ca -0.09 -1.23 -0.07 0.00 -0.50 0.00 0.00 54.79 52.90 1hja n ASP 35 Cb 0.60 -0.43 0.02 0.00 -1.14 0.00 0.00 41.12 40.18 1hja n ASP 35 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1hja h LYS 36 N 0.00 0.82 0.00 0.11 1.57 -1.92 -2.88 116.57 114.27 1hja h LYS 36 Ca -0.18 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1hja h LYS 36 Cb 0.52 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1hja h LYS 36 CO 0.13 0.68 0.00 0.25 -0.57 0.00 0.00 179.45 179.94 1hja n THR 37 N -4.54 0.32 0.00 -0.16 -2.24 -1.26 -4.86 114.28 101.54 1hja n THR 37 Ca 0.03 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1hja n THR 37 Cb 0.13 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 1hja n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hja n GLY 38 N -0.13 0.86 3.63 3.38 0.00 -1.09 -5.08 105.19 106.76 1hja n GLY 38 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1hja n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hja s PHE 39 N -2.00 3.30 0.04 1.61 0.40 -1.26 -4.82 117.98 115.24 1hja s PHE 39 Ca 0.00 0.80 -0.30 0.00 -0.60 0.00 0.00 56.93 56.83 1hja s PHE 39 Cb 0.00 -2.80 -0.05 0.00 0.51 0.00 0.00 43.02 40.68 1hja s PHE 39 CO 0.00 -0.28 1.22 -1.58 0.70 0.00 0.00 175.22 175.28 1hja s HIS 40 N 2.31 3.34 0.00 0.36 5.65 -1.26 -1.27 115.29 124.42 1hja s HIS 40 Ca 0.26 1.24 0.00 0.00 0.25 0.00 0.00 55.06 56.81 1hja s HIS 40 Cb -0.16 -3.44 0.00 0.00 -1.18 0.00 0.00 32.58 27.80 1hja s HIS 40 CO 0.09 -1.39 0.00 1.97 -0.65 0.00 0.00 174.74 174.76 1hja n PHE 41 N 4.28 0.00 -3.59 3.88 1.16 0.02 -4.97 117.46 118.24 1hja n PHE 41 Ca 0.10 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.57 1hja n PHE 41 Cb 0.46 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.29 1hja n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1hja n GLY 43 N -0.29 1.97 3.85 0.00 0.00 -1.26 -0.32 105.19 109.14 1hja n GLY 43 Ca -0.15 -2.19 -0.01 0.00 0.00 0.00 0.00 46.02 43.67 1hja n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hja s GLY 44 N -3.48 -0.09 -0.01 -0.02 0.00 -0.87 -4.67 107.32 98.18 1hja s GLY 44 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 44.72 45.06 1hja s GLY 44 CO 0.22 2.54 -0.00 -0.56 0.00 0.00 0.00 173.10 175.29 1hja s SER 45 N -3.38 0.19 0.07 1.64 0.01 -0.70 -1.26 113.70 110.27 1hja s SER 45 Ca 0.21 -0.01 -0.29 0.00 1.31 0.00 0.00 55.95 57.18 1hja s SER 45 Cb -0.01 -0.07 -0.05 0.00 0.21 0.00 0.00 66.02 66.11 1hja s SER 45 CO 0.02 -0.04 0.91 -0.76 0.41 0.00 0.00 173.24 173.78 1hja s LEU 46 N 0.41 4.45 -0.01 2.44 1.43 0.12 -0.87 118.68 126.65 1hja s LEU 46 Ca -0.04 1.66 0.11 0.00 -1.03 0.00 0.00 54.13 54.83 1hja s LEU 46 Cb -0.06 -3.48 -0.14 0.00 0.03 0.00 0.00 46.19 42.55 1hja s LEU 46 CO -0.01 -0.09 0.38 2.30 0.23 0.00 0.00 176.35 179.16 1hja n ILE 47 N 3.05 0.00 -3.64 -0.59 -5.35 -0.89 -1.70 119.36 110.24 1hja n ILE 47 Ca 0.02 -0.25 -0.00 0.00 -0.27 0.00 0.00 62.75 62.24 1hja n ILE 47 Cb 0.50 0.72 0.01 0.00 -1.74 0.00 0.00 39.64 39.13 1hja n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1hja n ASN 48 N -1.48 -0.43 0.13 7.28 6.94 -1.23 -4.59 115.26 121.88 1hja n ASN 48 Ca 0.01 -1.20 0.13 0.00 -0.02 0.00 0.00 54.58 53.49 1hja n ASN 48 Cb 0.21 0.69 0.46 0.00 -2.36 0.00 0.00 39.78 38.79 1hja n ASN 48 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1hja h GLU 49 N 0.00 0.00 0.00 -3.83 5.08 -1.97 -3.30 114.58 110.56 1hja h GLU 49 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1hja h GLU 49 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1hja h GLU 49 CO 0.09 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.19 1hja n ASN 50 N -2.31 0.83 -4.01 1.42 3.02 -1.26 -0.98 115.26 111.97 1hja n ASN 50 Ca 0.03 -1.10 -0.19 0.00 -0.03 0.00 0.00 54.58 53.30 1hja n ASN 50 Cb 0.31 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.33 1hja n ASN 50 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1hja s TRP 51 N -0.10 0.82 0.02 3.10 0.52 -1.24 -1.82 118.94 120.25 1hja s TRP 51 Ca 0.00 -0.17 0.07 0.00 0.02 0.00 0.00 56.10 56.02 1hja s TRP 51 Cb 0.00 -0.55 -0.02 0.00 -1.15 0.00 0.00 33.47 31.74 1hja s TRP 51 CO 0.00 -0.04 -0.20 0.08 0.02 0.00 0.00 176.95 176.81 1hja s VAL 52 N -0.06 1.59 -0.08 4.03 1.01 -0.79 -2.09 120.40 124.00 1hja s VAL 52 Ca 0.01 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1hja s VAL 52 Cb -0.05 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1hja s VAL 52 CO -0.00 0.27 -0.17 0.54 0.00 0.00 0.00 175.10 175.74 1hja s VAL 53 N -0.69 2.79 0.00 2.92 0.11 -0.05 -0.37 120.40 125.11 1hja s VAL 53 Ca 0.07 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.33 1hja s VAL 53 Cb -0.08 -2.11 0.00 0.00 -1.53 0.00 0.00 36.38 32.66 1hja s VAL 53 CO 0.01 0.56 0.00 1.07 -3.33 0.00 0.00 175.10 173.41 1hja n THR 54 N 2.91 0.00 -3.26 5.04 5.66 -0.70 -1.73 114.28 122.21 1hja n THR 54 Ca -0.18 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.47 1hja n THR 54 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 1hja n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hja s ALA 55 N -1.62 3.50 0.28 1.79 0.00 -1.26 -1.42 121.76 123.02 1hja s ALA 55 Ca 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 51.96 51.98 1hja s ALA 55 Cb 0.00 -2.63 0.39 0.00 0.00 0.00 0.00 23.12 20.88 1hja s ALA 55 CO 0.00 0.41 1.66 0.00 0.00 0.00 0.00 175.76 177.83 1hja h ALA 56 N 3.29 1.03 0.00 0.00 0.00 -1.74 -2.89 119.26 118.96 1hja h ALA 56 Ca -0.48 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1hja h ALA 56 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1hja h ALA 56 CO 0.66 0.63 0.00 -2.39 0.00 0.00 0.00 179.25 178.14 1hja n HIS 57 N -3.99 0.41 0.23 0.00 1.44 -1.26 -2.68 115.22 109.37 1hja n HIS 57 Ca -0.02 0.17 0.09 0.00 -2.01 0.00 0.00 57.72 55.95 1hja n HIS 57 Cb 0.51 -0.77 0.57 0.00 0.12 0.00 0.00 29.99 30.43 1hja n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1hja n GLY 59 N -0.48 -0.15 3.77 0.00 0.00 -1.09 -4.98 105.19 102.26 1hja n GLY 59 Ca -0.01 0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1hja n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hja s VAL 60 N -3.23 2.60 0.45 1.61 1.01 -1.26 -5.04 120.40 116.53 1hja s VAL 60 Ca 0.43 0.58 0.03 0.00 0.00 0.00 0.00 61.98 63.02 1hja s VAL 60 Cb -0.19 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1hja s VAL 60 CO 0.53 0.12 0.10 0.42 0.00 0.00 0.00 175.10 176.28 1hja s THR 61 N -1.18 0.67 -1.67 3.92 -4.23 -1.26 -4.97 115.64 106.92 1hja s THR 61 Ca 0.52 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.29 1hja s THR 61 Cb -0.40 -2.23 0.58 0.00 1.34 0.00 0.00 72.50 71.78 1hja s THR 61 CO 0.53 0.00 1.89 0.35 -0.54 0.00 0.00 174.62 176.85 1hja n THR 62 N -1.04 0.11 1.05 3.99 -2.24 -1.26 -2.88 114.28 112.00 1hja n THR 62 Ca -0.10 0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.82 1hja n THR 62 Cb 0.65 -0.61 0.08 0.00 -2.10 0.00 0.00 70.33 68.35 1hja n THR 62 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1hja n SER 63 N -1.16 1.98 -4.94 3.42 3.41 -1.26 -4.56 113.62 110.50 1hja n SER 63 Ca 0.15 -1.48 -0.25 0.00 -0.26 0.00 0.00 58.87 57.04 1hja n SER 63 Cb 0.16 0.37 0.04 0.00 -0.26 0.00 0.00 64.21 64.52 1hja n SER 63 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1hja s ASP 64 N -2.42 5.26 0.06 4.04 1.01 -1.14 -4.01 116.67 119.47 1hja s ASP 64 Ca 0.21 0.44 0.06 0.00 0.71 0.00 0.00 52.55 53.97 1hja s ASP 64 Cb 0.19 -1.31 -0.03 0.00 1.01 0.00 0.00 42.92 42.78 1hja s ASP 64 CO 0.53 -1.25 -0.16 0.68 0.21 0.00 0.00 175.17 175.18 1hja s VAL 65 N -3.01 1.31 -0.33 -1.27 -7.23 0.26 -4.21 120.40 105.92 1hja s VAL 65 Ca 0.56 -1.21 -0.11 0.00 -1.81 0.00 0.00 61.98 59.42 1hja s VAL 65 Cb -0.11 -1.19 -0.01 0.00 0.56 0.00 0.00 36.38 35.64 1hja s VAL 65 CO 0.43 -0.03 0.19 -0.69 -0.31 0.00 0.00 175.10 174.69 1hja s VAL 66 N -1.00 4.86 -0.36 1.32 1.01 -0.36 -1.35 120.40 124.51 1hja s VAL 66 Ca 0.02 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 1hja s VAL 66 Cb -0.09 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1hja s VAL 66 CO 0.02 -0.00 0.23 -0.69 0.00 0.00 0.00 175.10 174.66 1hja s VAL 67 N 1.65 4.91 0.18 2.92 1.01 -0.33 -0.31 120.40 130.43 1hja s VAL 67 Ca 0.05 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1hja s VAL 67 Cb -0.17 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1hja s VAL 67 CO 0.08 -0.14 0.13 0.00 0.00 0.00 0.00 175.10 175.17 1hja s ALA 68 N 1.64 3.53 -0.04 5.51 0.00 0.20 -2.05 121.76 130.55 1hja s ALA 68 Ca 0.04 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.75 1hja s ALA 68 Cb -0.18 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1hja s ALA 68 CO 0.08 0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.73 1hja n GLY 69 N -0.42 0.47 3.80 0.00 0.00 -1.26 -1.19 105.19 106.59 1hja n GLY 69 Ca -0.08 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 1hja n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1hja s GLU 70 N -0.57 4.31 0.17 1.61 2.56 -1.26 -4.67 118.70 120.84 1hja s GLU 70 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 54.97 55.86 1hja s GLU 70 Cb 0.00 -3.10 0.00 0.00 2.00 0.00 0.00 34.13 33.03 1hja s GLU 70 CO 0.00 0.53 0.00 0.34 -0.56 0.00 0.00 175.26 175.57 1hja n PHE 71 N 1.28 -1.26 -3.62 5.30 7.35 -1.26 -4.93 117.46 120.32 1hja n PHE 71 Ca -0.06 0.22 -0.40 0.00 -0.76 0.00 0.00 57.45 56.45 1hja n PHE 71 Cb 0.50 0.35 -0.11 0.00 0.35 0.00 0.00 39.48 40.57 1hja n PHE 71 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1hja s ASP 72 N -5.16 5.66 0.42 -2.13 -1.08 -1.26 -4.95 116.67 108.16 1hja s ASP 72 Ca 0.00 -0.87 0.28 0.00 -0.52 0.00 0.00 52.55 51.44 1hja s ASP 72 Cb 0.00 -2.01 0.99 0.00 -1.46 0.00 0.00 42.92 40.44 1hja s ASP 72 CO 0.00 -0.33 1.82 1.56 0.52 0.00 0.00 175.17 178.74 1hja h GLN 73 N 8.40 0.00 0.00 4.34 4.20 -2.03 -2.82 115.11 127.20 1hja h GLN 73 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1hja h GLN 73 Cb 1.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.89 1hja h GLN 73 CO 0.65 0.00 -0.28 0.41 -0.67 0.00 0.00 178.83 178.94 1hja n GLY 74 N 0.42 -1.49 1.81 3.46 0.00 -1.26 -4.88 105.19 103.24 1hja n GLY 74 Ca 0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 1hja n GLY 74 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1hja n SER 75 N -1.91 0.50 -0.95 1.61 2.88 -1.06 -5.05 113.62 109.63 1hja n SER 75 Ca 0.05 -1.46 -0.01 0.00 -1.33 0.00 0.00 58.87 56.12 1hja n SER 75 Cb 0.40 -0.34 -0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1hja n SER 75 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1hja n SER 76 N -3.05 -0.23 -0.00 -3.46 3.41 -1.26 -4.92 113.62 104.11 1hja n SER 76 Ca 0.08 -0.66 0.02 0.00 -0.26 0.00 0.00 58.87 58.05 1hja n SER 76 Cb 0.27 0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.28 1hja n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1hja n SER 77 N -0.09 2.44 -4.74 4.04 7.64 -1.26 -4.97 113.62 116.68 1hja n SER 77 Ca -0.05 -0.25 -0.41 0.00 1.01 0.00 0.00 58.87 59.17 1hja n SER 77 Cb 0.41 1.09 -0.04 0.00 -1.01 0.00 0.00 64.21 64.66 1hja n SER 77 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1hja s GLU 78 N -1.84 4.55 -0.32 1.43 2.02 -1.26 -4.99 118.70 118.30 1hja s GLU 78 Ca -0.00 1.80 -0.20 0.00 0.02 0.00 0.00 54.97 56.59 1hja s GLU 78 Cb 0.02 -3.25 -0.01 0.00 0.10 0.00 0.00 34.13 31.00 1hja s GLU 78 CO 0.14 0.02 0.59 0.15 0.02 0.00 0.00 175.26 176.19 1hja s LYS 79 N -0.46 3.83 0.41 1.61 -0.14 -1.26 -5.03 119.74 118.71 1hja s LYS 79 Ca 0.50 0.17 0.07 0.00 -1.36 0.00 0.00 55.97 55.35 1hja s LYS 79 Cb -0.31 -3.75 -0.05 0.00 -1.68 0.00 0.00 37.83 32.04 1hja s LYS 79 CO 0.37 -0.59 0.18 0.96 -0.76 0.00 0.00 175.35 175.51 1hja s ILE 80 N 2.55 2.32 -0.13 2.17 -4.36 -1.26 -4.82 121.20 117.67 1hja s ILE 80 Ca 0.23 -1.69 0.00 0.00 -0.26 0.00 0.00 60.65 58.93 1hja s ILE 80 Cb -0.15 -3.00 0.02 0.00 1.25 0.00 0.00 42.46 40.58 1hja s ILE 80 CO 0.12 -0.00 -0.12 -1.10 0.24 0.00 0.00 174.94 174.08 1hja s GLN 81 N -3.91 2.03 -0.51 0.37 -0.21 -0.34 -4.97 119.66 112.13 1hja s GLN 81 Ca 0.41 -0.46 -0.16 0.00 0.02 0.00 0.00 55.36 55.17 1hja s GLN 81 Cb 0.04 -1.91 0.10 0.00 1.00 0.00 0.00 33.01 32.23 1hja s GLN 81 CO 0.23 -0.23 0.48 0.15 -2.12 0.00 0.00 175.29 173.79 1hja s LYS 82 N 1.52 3.00 -0.10 2.91 1.02 -1.26 -0.63 119.74 126.21 1hja s LYS 82 Ca 0.04 -1.47 -0.09 0.00 0.02 0.00 0.00 55.97 54.48 1hja s LYS 82 Cb -0.13 -4.21 -0.04 0.00 -0.52 0.00 0.00 37.83 32.93 1hja s LYS 82 CO -0.09 -1.21 0.19 -0.51 -0.92 0.00 0.00 175.35 172.81 1hja s LEU 83 N 1.77 4.41 0.25 3.17 1.43 0.58 -4.93 118.68 125.37 1hja s LEU 83 Ca 0.05 0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 53.63 1hja s LEU 83 Cb -0.26 -2.17 -0.07 0.00 0.03 0.00 0.00 46.19 43.72 1hja s LEU 83 CO 0.05 0.39 0.57 -0.54 0.23 0.00 0.00 176.35 177.05 1hja s LYS 84 N -1.04 3.76 -0.17 1.70 1.02 -1.26 -1.23 119.74 122.53 1hja s LYS 84 Ca 0.17 0.23 -0.16 0.00 0.02 0.00 0.00 55.97 56.23 1hja s LYS 84 Cb -0.13 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 1hja s LYS 84 CO 0.06 0.27 0.39 0.42 -0.92 0.00 0.00 175.35 175.57 1hja s ILE 85 N -1.91 5.22 -0.10 2.17 -1.09 -1.26 -0.92 121.20 123.31 1hja s ILE 85 Ca 0.47 0.73 0.03 0.00 -2.23 0.00 0.00 60.65 59.65 1hja s ILE 85 Cb -0.11 -3.73 -0.24 0.00 -1.58 0.00 0.00 42.46 36.80 1hja s ILE 85 CO 0.24 0.30 0.45 0.00 -1.23 0.00 0.00 174.94 174.70 1hja n ALA 86 N 4.06 1.20 -3.42 9.38 0.00 0.81 -4.69 120.51 127.85 1hja n ALA 86 Ca -0.09 -0.72 -0.16 0.00 0.00 0.00 0.00 53.44 52.47 1hja n ALA 86 Cb 0.51 -0.70 -0.07 0.00 0.00 0.00 0.00 19.45 19.19 1hja n ALA 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1hja s LYS 87 N -2.57 0.88 -0.15 0.00 2.20 -0.83 -5.00 119.74 114.27 1hja s LYS 87 Ca -0.15 0.16 -0.01 0.00 -0.36 0.00 0.00 55.97 55.61 1hja s LYS 87 Cb 0.07 0.41 -0.01 0.00 -1.51 0.00 0.00 37.83 36.79 1hja s LYS 87 CO 0.79 -0.25 -0.10 0.08 -0.36 0.00 0.00 175.35 175.51 1hja s VAL 88 N -1.06 3.23 -0.55 4.02 1.01 -1.26 -0.69 120.40 125.10 1hja s VAL 88 Ca -0.11 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 1hja s VAL 88 Cb -0.02 -2.39 0.14 0.00 0.00 0.00 0.00 36.38 34.11 1hja s VAL 88 CO 0.07 0.50 0.34 -0.36 0.00 0.00 0.00 175.10 175.65 1hja s PHE 89 N 0.59 3.37 0.24 5.22 0.40 0.45 -4.98 117.98 123.27 1hja s PHE 89 Ca -0.06 -2.87 -0.30 0.00 -0.60 0.00 0.00 56.93 53.10 1hja s PHE 89 Cb -0.15 -3.06 -0.09 0.00 0.51 0.00 0.00 43.02 40.23 1hja s PHE 89 CO 0.03 -0.82 0.95 0.21 0.70 0.00 0.00 175.22 176.28 1hja s LYS 90 N 0.01 4.84 -0.10 0.44 2.20 -1.26 -0.56 119.74 125.32 1hja s LYS 90 Ca 0.16 1.50 -0.29 0.00 -0.36 0.00 0.00 55.97 56.98 1hja s LYS 90 Cb -0.22 -3.26 -0.06 0.00 -1.51 0.00 0.00 37.83 32.78 1hja s LYS 90 CO -0.03 0.50 1.82 1.21 -0.36 0.00 0.00 175.35 178.49 1hja s ASN 91 N -1.18 6.34 0.53 1.43 3.84 -0.87 -4.86 114.94 120.18 1hja s ASN 91 Ca 0.41 2.13 0.31 0.00 0.21 0.00 0.00 52.86 55.93 1hja s ASN 91 Cb -0.26 -2.53 1.46 0.00 -0.55 0.00 0.00 41.25 39.37 1hja s ASN 91 CO 0.32 -1.21 1.89 0.77 -2.79 0.00 0.00 177.10 176.08 1hja h SER 92 N 11.00 0.02 -0.34 -4.21 4.64 -1.93 -0.62 113.55 122.12 1hja h SER 92 Ca -0.41 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.89 1hja h SER 92 Cb 1.20 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1hja h SER 92 CO 0.96 0.01 0.03 0.29 -0.87 0.00 0.00 176.83 177.25 1hja n LYS 93 N -4.29 3.06 -2.56 4.77 4.76 -1.26 -4.91 118.16 117.73 1hja n LYS 93 Ca 0.18 -1.75 -0.42 0.00 -2.87 0.00 0.00 58.31 53.45 1hja n LYS 93 Cb 0.94 -1.91 -0.03 0.00 -1.84 0.00 0.00 35.03 32.19 1hja n LYS 93 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1hja s TYR 94 N -1.97 3.32 -0.23 2.13 5.04 -0.24 -4.69 117.35 120.70 1hja s TYR 94 Ca 0.30 1.38 -0.03 0.00 -2.44 0.00 0.00 57.07 56.28 1hja s TYR 94 Cb 0.23 -3.32 0.00 0.00 0.35 0.00 0.00 41.96 39.23 1hja s TYR 94 CO 0.09 -0.85 -0.04 1.21 -1.34 0.00 0.00 175.55 174.62 1hja s ASN 95 N 1.32 4.32 0.45 4.32 2.47 -1.09 -4.98 114.94 121.75 1hja s ASN 95 Ca 0.52 -0.56 0.22 0.00 0.42 0.00 0.00 52.86 53.46 1hja s ASN 95 Cb -0.22 -1.72 1.04 0.00 -1.45 0.00 0.00 41.25 38.90 1hja s ASN 95 CO 0.20 -0.07 1.90 0.28 -3.72 0.00 0.00 177.10 175.69 1hja h SER 96 N 8.09 0.00 -0.10 -4.21 0.02 -1.95 0.40 113.55 115.79 1hja h SER 96 Ca -0.38 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.56 1hja h SER 96 Cb 1.14 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 1hja h SER 96 CO 0.60 0.24 0.03 0.25 -1.14 0.00 0.00 176.83 176.81 1hja h LEU 97 N 0.00 0.15 0.00 5.07 6.46 -1.98 -3.33 115.31 121.68 1hja h LEU 97 Ca -0.00 -0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.54 1hja h LEU 97 Cb 0.61 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1hja h LEU 97 CO 0.03 0.33 -1.73 0.35 -0.62 0.00 0.00 178.44 176.80 1hja n THR 98 N -4.88 0.00 -2.30 1.05 -2.24 -1.14 -4.99 114.28 99.77 1hja n THR 98 Ca -0.06 -0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 61.23 1hja n THR 98 Cb 0.14 0.25 -0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1hja n THR 98 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1hja n ILE 99 N -2.05 -0.65 -3.53 2.28 5.41 0.14 -5.01 119.36 115.93 1hja n ILE 99 Ca -0.02 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.38 1hja n ILE 99 Cb 0.49 -1.97 -0.06 0.00 -0.71 0.00 0.00 39.64 37.39 1hja n ILE 99 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1hja s ASN 100 N -2.54 6.68 -1.01 4.38 2.47 -1.19 -4.15 114.94 119.58 1hja s ASN 100 Ca 0.03 0.85 -0.06 0.00 0.42 0.00 0.00 52.86 54.10 1hja s ASN 100 Cb -0.01 -2.20 0.01 0.00 -1.45 0.00 0.00 41.25 37.59 1hja s ASN 100 CO 0.04 0.17 0.88 0.59 -3.72 0.00 0.00 177.10 175.06 1hja n ASN 101 N 0.93 -5.02 -4.56 -4.21 3.02 -1.26 -2.66 115.26 101.50 1hja n ASN 101 Ca -0.08 -0.41 -0.42 0.00 -0.03 0.00 0.00 54.58 53.64 1hja n ASN 101 Cb 0.52 -3.93 -0.01 0.00 -0.61 0.00 0.00 39.78 35.75 1hja n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1hja s ASP 102 N -3.31 6.70 -0.23 6.41 2.15 -1.26 -4.40 116.67 122.73 1hja s ASP 102 Ca 0.40 -2.03 -0.22 0.00 0.43 0.00 0.00 52.55 51.14 1hja s ASP 102 Cb -0.18 -2.56 0.06 0.00 -0.30 0.00 0.00 42.92 39.94 1hja s ASP 102 CO 0.55 -1.29 0.61 -0.51 -0.17 0.00 0.00 175.17 174.36 1hja s ILE 103 N 4.38 0.00 -0.01 4.11 2.07 -1.26 -4.04 121.20 126.44 1hja s ILE 103 Ca 0.49 -0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.72 1hja s ILE 103 Cb 0.02 -0.86 0.00 0.00 0.13 0.00 0.00 42.46 41.75 1hja s ILE 103 CO -0.01 -0.00 0.02 -0.89 -1.91 0.00 0.00 174.94 172.15 1hja s THR 104 N 0.28 -0.00 -0.14 4.00 2.01 -0.51 -2.04 115.64 119.24 1hja s THR 104 Ca -0.00 0.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 1hja s THR 104 Cb -0.04 -0.04 -0.04 0.00 0.01 0.00 0.00 72.50 72.39 1hja s THR 104 CO 0.01 0.01 0.09 -0.76 -0.69 0.00 0.00 174.62 173.28 1hja s LEU 105 N 0.08 4.06 -0.20 4.42 1.43 0.28 -1.71 118.68 127.04 1hja s LEU 105 Ca -0.01 0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 53.34 1hja s LEU 105 Cb -0.01 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 1hja s LEU 105 CO -0.00 0.33 -0.03 -0.76 0.23 0.00 0.00 176.35 176.12 1hja s LEU 106 N -0.53 3.10 -0.49 1.79 1.43 0.50 -0.41 118.68 124.06 1hja s LEU 106 Ca 0.11 -0.27 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 1hja s LEU 106 Cb -0.12 -1.78 0.09 0.00 0.03 0.00 0.00 46.19 44.41 1hja s LEU 106 CO 0.02 0.05 0.42 -0.75 0.23 0.00 0.00 176.35 176.32 1hja s LYS 107 N 1.06 2.97 0.37 1.70 2.47 0.14 -1.89 119.74 126.56 1hja s LYS 107 Ca 0.01 -1.46 -0.27 0.00 -1.56 0.00 0.00 55.97 52.69 1hja s LYS 107 Cb -0.15 -4.17 -0.09 0.00 -1.46 0.00 0.00 37.83 31.96 1hja s LYS 107 CO 0.01 -1.11 1.30 -0.51 0.16 0.00 0.00 175.35 175.19 1hja s LEU 108 N 1.62 4.30 0.26 5.43 1.43 -0.75 -0.13 118.68 130.83 1hja s LEU 108 Ca 0.04 2.65 0.21 0.00 -1.03 0.00 0.00 54.13 56.00 1hja s LEU 108 Cb -0.26 -3.80 0.08 0.00 0.03 0.00 0.00 46.19 42.24 1hja s LEU 108 CO 0.05 -0.71 1.22 0.77 0.23 0.00 0.00 176.35 177.92 1hja h SER 109 N 2.97 0.00 -3.21 2.29 4.64 -1.31 -3.42 113.55 115.52 1hja h SER 109 Ca -0.49 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.27 1hja h SER 109 Cb 1.24 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.97 1hja h SER 109 CO 0.64 0.17 -0.82 0.42 -0.87 0.00 0.00 176.83 176.37 1hja s THR 110 N -3.19 1.25 0.48 2.95 -4.23 -1.25 -4.99 115.64 106.65 1hja s THR 110 Ca 0.02 -0.46 -0.23 0.00 -1.18 0.00 0.00 61.69 59.84 1hja s THR 110 Cb 0.08 -1.20 -0.07 0.00 1.34 0.00 0.00 72.50 72.65 1hja s THR 110 CO 0.75 0.40 1.21 0.00 -0.54 0.00 0.00 174.62 176.44 1hja s ALA 111 N 1.40 2.95 0.31 3.99 0.00 -1.26 -4.67 121.76 124.47 1hja s ALA 111 Ca 0.01 1.02 -0.24 0.00 0.00 0.00 0.00 51.96 52.74 1hja s ALA 111 Cb -0.13 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 1hja s ALA 111 CO -0.06 -0.80 0.89 0.00 0.00 0.00 0.00 175.76 175.78 1hja s ALA 112 N -1.49 3.25 -0.31 0.00 0.00 -0.16 -5.04 121.76 118.01 1hja s ALA 112 Ca 0.65 0.42 -0.13 0.00 0.00 0.00 0.00 51.96 52.90 1hja s ALA 112 Cb -0.31 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 1hja s ALA 112 CO 0.37 0.21 0.27 -1.12 0.00 0.00 0.00 175.76 175.50 1hja s SER 113 N -1.68 6.11 0.46 0.00 0.01 -1.26 -4.83 113.70 112.50 1hja s SER 113 Ca 0.49 -0.14 -0.21 0.00 1.31 0.00 0.00 55.95 57.40 1hja s SER 113 Cb -0.17 -2.16 -0.09 0.00 0.21 0.00 0.00 66.02 63.81 1hja s SER 113 CO 0.22 -0.20 1.01 -0.36 0.41 0.00 0.00 173.24 174.32 1hja s PHE 114 N 1.86 3.14 0.00 2.43 0.40 -1.26 -4.80 117.98 119.74 1hja s PHE 114 Ca 0.09 1.60 0.00 0.00 -0.60 0.00 0.00 56.93 58.02 1hja s PHE 114 Cb -0.17 -2.99 0.00 0.00 0.51 0.00 0.00 43.02 40.37 1hja s PHE 114 CO 0.11 -0.54 0.00 -1.13 0.70 0.00 0.00 175.22 174.35 1hja n SER 115 N -0.75 0.00 0.22 1.36 3.41 1.00 -4.94 113.62 113.92 1hja n SER 115 Ca 0.08 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.80 1hja n SER 115 Cb 0.53 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.84 1hja n SER 115 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1hja h GLN 116 N 0.00 0.00 0.00 4.33 -0.00 -1.96 -3.21 115.11 114.27 1hja h GLN 116 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1hja h GLN 116 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1hja h GLN 116 CO 0.00 0.17 -1.41 0.25 -0.00 0.00 0.00 178.83 177.84 1hja n THR 117 N -3.23 0.00 -3.78 1.86 -2.24 -1.26 -4.75 114.28 100.89 1hja n THR 117 Ca 0.01 -0.22 -0.27 0.00 -2.27 0.00 0.00 64.05 61.31 1hja n THR 117 Cb 0.48 0.57 -0.17 0.00 -2.10 0.00 0.00 70.33 69.12 1hja n THR 117 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1hja s VAL 118 N -3.19 0.67 0.28 2.28 1.01 -1.21 -4.29 120.40 115.95 1hja s VAL 118 Ca 0.01 -0.53 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 1hja s VAL 118 Cb 0.15 -1.06 0.04 0.00 0.00 0.00 0.00 36.38 35.50 1hja s VAL 118 CO 0.87 -0.09 0.79 -0.94 0.00 0.00 0.00 175.10 175.73 1hja s SER 119 N 1.80 -0.19 0.42 3.32 1.04 -0.44 -0.00 113.70 119.66 1hja s SER 119 Ca -0.00 -0.68 -0.09 0.00 0.48 0.00 0.00 55.95 55.66 1hja s SER 119 Cb -0.16 0.70 -0.06 0.00 0.10 0.00 0.00 66.02 66.60 1hja s SER 119 CO -0.07 -1.33 0.77 0.00 0.98 0.00 0.00 173.24 173.59 1hja s ALA 120 N -3.44 3.37 0.16 5.32 0.00 -1.26 -2.38 121.76 123.51 1hja s ALA 120 Ca 0.12 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 51.84 1hja s ALA 120 Cb -0.05 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1hja s ALA 120 CO 0.07 -0.09 0.25 0.54 0.00 0.00 0.00 175.76 176.53 1hja s VAL 121 N -2.45 5.12 0.39 0.00 0.11 -0.69 -4.83 120.40 118.05 1hja s VAL 121 Ca 0.50 -0.79 -0.08 0.00 -2.93 0.00 0.00 61.98 58.67 1hja s VAL 121 Cb -0.10 -3.64 -0.06 0.00 -1.53 0.00 0.00 36.38 31.05 1hja s VAL 121 CO 0.35 -0.10 0.73 0.00 -3.33 0.00 0.00 175.10 172.74 1hja s LEU 123 N -3.92 2.62 0.00 0.00 1.43 -1.26 -5.12 118.68 112.43 1hja s LEU 123 Ca 0.49 -0.35 -0.19 0.00 -1.03 0.00 0.00 54.13 53.06 1hja s LEU 123 Cb -0.10 -1.53 0.27 0.00 0.03 0.00 0.00 46.19 44.86 1hja s LEU 123 CO 0.33 0.29 1.16 -0.81 0.23 0.00 0.00 176.35 177.55 1hja n PRO 124 N 1.87 -2.40 -4.14 1.29 -0.04 -1.26 -5.07 135.00 125.25 1hja n PRO 124 Ca -0.16 -1.83 -0.25 0.00 -0.04 0.00 0.00 63.50 61.22 1hja n PRO 124 Cb 0.52 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 1hja n PRO 124 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1hja s SER 125 N -4.93 5.27 0.55 3.54 1.04 -1.26 -4.99 113.70 112.92 1hja s SER 125 Ca 0.71 -0.27 0.25 0.00 0.48 0.00 0.00 55.95 57.13 1hja s SER 125 Cb -0.05 -1.28 1.38 0.00 0.10 0.00 0.00 66.02 66.16 1hja s SER 125 CO 0.53 0.04 1.75 0.00 0.98 0.00 0.00 173.24 176.53 1hja h ALA 126 N 2.18 1.26 0.00 5.32 0.00 -2.08 -1.55 119.26 124.40 1hja h ALA 126 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1hja h ALA 126 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1hja h ALA 126 CO 0.61 -0.26 -1.34 -1.13 0.00 0.00 0.00 179.25 177.13 1hja n SER 127 N -2.62 0.49 -4.72 0.00 3.41 -1.26 -4.97 113.62 103.95 1hja n SER 127 Ca -0.02 -0.17 -0.42 0.00 -0.26 0.00 0.00 58.87 58.00 1hja n SER 127 Cb 0.33 1.17 -0.00 0.00 -0.26 0.00 0.00 64.21 65.45 1hja n SER 127 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1hja n ASP 128 N -2.10 3.09 -4.11 4.04 8.00 -0.59 -5.00 116.55 119.88 1hja n ASP 128 Ca -0.00 1.21 -0.26 0.00 0.71 0.00 0.00 54.79 56.45 1hja n ASP 128 Cb 0.48 -1.53 -0.16 0.00 -0.02 0.00 0.00 41.12 39.89 1hja n ASP 128 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1hja s ASP 129 N -0.24 2.14 -0.29 -2.24 2.15 -1.26 -4.93 116.67 112.00 1hja s ASP 129 Ca 0.55 -0.36 0.00 0.00 0.43 0.00 0.00 52.55 53.18 1hja s ASP 129 Cb -0.54 -0.72 0.06 0.00 -0.30 0.00 0.00 42.92 41.42 1hja s ASP 129 CO 0.62 0.12 -0.03 -0.36 -0.17 0.00 0.00 175.17 175.36 1hja s PHE 130 N 0.21 3.31 0.85 -5.34 0.08 -1.26 -5.10 117.98 110.73 1hja s PHE 130 Ca -0.08 -2.15 -0.11 0.00 0.12 0.00 0.00 56.93 54.71 1hja s PHE 130 Cb -0.13 -2.15 0.11 0.00 -0.57 0.00 0.00 43.02 40.28 1hja s PHE 130 CO 0.03 -0.85 1.16 0.00 -0.10 0.00 0.00 175.22 175.46 1hja s ALA 131 N 1.17 1.76 0.64 5.36 0.00 -1.26 -4.98 121.76 124.44 1hja s ALA 131 Ca -0.05 0.63 -0.16 0.00 0.00 0.00 0.00 51.96 52.38 1hja s ALA 131 Cb -0.20 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 1hja s ALA 131 CO -0.03 -2.39 1.13 0.00 0.00 0.00 0.00 175.76 174.47 1hja s ALA 132 N -2.50 2.47 0.00 0.00 0.00 -1.26 -2.76 121.76 117.71 1hja s ALA 132 Ca 0.68 0.66 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1hja s ALA 132 Cb -0.24 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1hja s ALA 132 CO 0.54 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 175.45 1hja n GLY 133 N -0.23 2.17 3.71 0.00 0.00 -1.26 -4.99 105.19 104.60 1hja n GLY 133 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1hja n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hja s THR 134 N -3.34 3.57 -0.28 2.61 2.01 -1.11 -4.97 115.64 114.12 1hja s THR 134 Ca 0.00 1.13 -0.25 0.00 0.31 0.00 0.00 61.69 62.87 1hja s THR 134 Cb 0.00 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.79 1hja s THR 134 CO 0.00 0.09 0.88 -0.89 -0.69 0.00 0.00 174.62 174.00 1hja s THR 135 N 1.11 4.74 0.50 -0.82 2.01 -1.26 -5.03 115.64 116.89 1hja s THR 135 Ca 0.62 1.49 0.00 0.00 0.31 0.00 0.00 61.69 64.11 1hja s THR 135 Cb -0.34 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 67.97 1hja s THR 135 CO 0.30 -0.23 0.01 0.00 -0.69 0.00 0.00 174.62 174.00 1hja s VAL 137 N -2.81 1.18 -0.00 0.00 1.01 -1.26 -5.14 120.40 113.38 1hja s VAL 137 Ca 0.01 -1.09 0.05 0.00 0.00 0.00 0.00 61.98 60.94 1hja s VAL 137 Cb -0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 1hja s VAL 137 CO 0.00 -0.02 -0.16 0.28 0.00 0.00 0.00 175.10 175.20 1hja s THR 138 N -0.93 1.26 0.14 3.92 -1.32 -1.26 -5.16 115.64 112.29 1hja s THR 138 Ca 0.02 -0.76 0.04 0.00 -1.21 0.00 0.00 61.69 59.77 1hja s THR 138 Cb -0.08 -1.07 -0.04 0.00 -1.51 0.00 0.00 72.50 69.80 1hja s THR 138 CO 0.02 0.29 -0.08 0.42 -2.21 0.00 0.00 174.62 173.05 1hja s THR 139 N -0.47 1.03 0.00 5.08 -4.23 -1.26 -5.10 115.64 110.68 1hja s THR 139 Ca 0.06 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1hja s THR 139 Cb -0.07 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 71.93 1hja s THR 139 CO -0.00 -0.75 0.00 0.61 -0.54 0.00 0.00 174.62 173.94 1hja n GLY 140 N -0.17 -0.47 1.14 3.99 0.00 -1.26 -4.99 105.19 103.43 1hja n GLY 140 Ca -0.10 -1.29 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 1hja n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1hja n TRP 141 N -0.98 1.14 -1.52 1.61 8.01 -1.26 -4.73 117.44 119.71 1hja n TRP 141 Ca 0.00 -1.45 -0.29 0.00 -1.31 0.00 0.00 57.50 54.45 1hja n TRP 141 Cb 0.00 -0.47 0.16 0.00 -2.01 0.00 0.00 31.31 28.99 1hja n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1hja s GLY 142 N -2.35 1.61 0.34 6.99 0.00 -1.26 -4.87 107.32 107.78 1hja s GLY 142 Ca 0.45 -0.72 -0.27 0.00 0.00 0.00 0.00 44.72 44.18 1hja s GLY 142 CO 0.02 -0.06 1.02 1.04 0.00 0.00 0.00 173.10 175.12 1hja n LEU 143 N -3.95 2.15 -0.34 0.66 4.77 -1.26 -1.89 117.00 117.14 1hja n LEU 143 Ca 0.09 1.13 0.12 0.00 -0.03 0.00 0.00 56.01 57.32 1hja n LEU 143 Cb 0.59 -1.32 0.16 0.00 -2.33 0.00 0.00 43.42 40.52 1hja n LEU 143 CO 0.53 -1.38 0.43 0.35 -1.33 0.00 0.00 177.39 175.99 1hja n THR 144 N -0.02 0.00 -3.54 -5.08 -2.24 -1.26 -0.31 114.28 101.83 1hja n THR 144 Ca 0.09 -0.18 -0.12 0.00 -2.27 0.00 0.00 64.05 61.58 1hja n THR 144 Cb 0.35 0.84 -0.05 0.00 -2.10 0.00 0.00 70.33 69.37 1hja n THR 144 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1hja s ARG 145 N -2.55 0.76 0.00 -0.78 3.52 -1.26 -4.19 118.95 114.46 1hja s ARG 145 Ca 0.20 0.05 0.00 0.00 -0.13 0.00 0.00 55.73 55.85 1hja s ARG 145 Cb 0.18 0.36 0.00 0.00 -1.56 0.00 0.00 34.95 33.93 1hja s ARG 145 CO 0.58 -0.27 0.19 0.98 -0.81 0.00 0.00 175.30 175.97