#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h9k h SER -2 N 0.00 0.00 -3.63 1.61 4.64 -2.12 -3.47 113.55 110.59 1h9k h SER -2 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 1h9k h SER -2 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 1h9k h SER -2 CO 0.00 0.46 -0.15 0.00 -0.87 0.00 0.00 176.83 176.27 1h9k n HIS -1 N -3.20 -1.16 -2.66 4.77 1.44 -1.26 -5.14 115.22 108.00 1h9k n HIS -1 Ca 0.02 -1.94 -0.43 0.00 -2.01 0.00 0.00 57.72 53.36 1h9k n HIS -1 Cb 0.72 0.41 -0.02 0.00 0.12 0.00 0.00 29.99 31.22 1h9k n HIS -1 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 1h9k s MET 1 N -2.70 4.32 -0.38 -1.40 1.75 -1.26 -5.00 119.30 114.63 1h9k s MET 1 Ca 0.25 1.38 -0.10 0.00 -1.25 0.00 0.00 55.69 55.97 1h9k s MET 1 Cb -0.00 -3.60 0.04 0.00 2.84 0.00 0.00 34.83 34.10 1h9k s MET 1 CO 0.18 -0.51 0.21 0.15 -0.65 0.00 0.00 175.02 174.39 1h9k s LYS 2 N 2.74 2.75 0.05 4.11 1.02 -1.26 -5.07 119.74 124.08 1h9k s LYS 2 Ca 0.46 -1.17 0.02 0.00 0.02 0.00 0.00 55.97 55.30 1h9k s LYS 2 Cb -0.17 -3.71 -0.03 0.00 -0.52 0.00 0.00 37.83 33.41 1h9k s LYS 2 CO 0.11 -0.75 -0.08 -1.50 -0.92 0.00 0.00 175.35 172.22 1h9k s ILE 3 N 1.51 0.55 0.41 2.17 2.07 -1.26 -5.05 121.20 121.60 1h9k s ILE 3 Ca 0.02 -1.15 0.13 0.00 -1.41 0.00 0.00 60.65 58.24 1h9k s ILE 3 Cb -0.20 -0.69 0.14 0.00 0.13 0.00 0.00 42.46 41.84 1h9k s ILE 3 CO 0.05 -0.42 1.91 0.77 -1.91 0.00 0.00 174.94 175.35 1h9k h SER 4 N 4.38 0.05 -1.71 4.50 4.64 -2.01 -3.45 113.55 119.95 1h9k h SER 4 Ca -0.36 -0.01 -0.67 0.00 -0.47 0.00 0.00 61.79 60.28 1h9k h SER 4 Cb 1.20 -0.01 0.08 0.00 -0.31 0.00 0.00 62.40 63.35 1h9k h SER 4 CO 0.42 0.30 0.15 0.00 -0.87 0.00 0.00 176.83 176.83 1h9k n ALA 5 N -2.49 -1.41 0.40 5.18 0.00 -1.26 -4.84 120.51 116.09 1h9k n ALA 5 Ca -0.02 0.48 0.13 0.00 0.00 0.00 0.00 53.44 54.03 1h9k n ALA 5 Cb 0.31 -1.94 0.43 0.00 0.00 0.00 0.00 19.45 18.24 1h9k n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h9k h ARG 6 N 3.04 0.00 -4.80 0.00 2.47 -1.88 -3.40 114.38 109.81 1h9k h ARG 6 Ca -0.43 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 57.64 1h9k h ARG 6 Cb 1.37 0.00 -0.37 0.00 -1.65 0.00 0.00 29.97 29.32 1h9k h ARG 6 CO 0.68 0.00 -0.81 -0.80 0.56 0.00 0.00 179.97 179.60 1h9k s ASN 7 N -5.14 4.05 -0.24 7.04 0.01 -1.13 -4.75 114.94 114.78 1h9k s ASN 7 Ca 0.06 -1.20 -0.01 0.00 -0.71 0.00 0.00 52.86 51.00 1h9k s ASN 7 Cb 0.09 -1.46 0.07 0.00 0.41 0.00 0.00 41.25 40.36 1h9k s ASN 7 CO 0.56 -0.16 0.03 -0.69 -1.51 0.00 0.00 177.10 175.32 1h9k s VAL 8 N 1.20 0.94 -0.09 1.60 1.01 -1.26 -1.17 120.40 122.62 1h9k s VAL 8 Ca -0.06 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 60.94 1h9k s VAL 8 Cb -0.18 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1h9k s VAL 8 CO -0.07 -0.30 -0.14 -0.36 0.00 0.00 0.00 175.10 174.23 1h9k s PHE 9 N 1.64 2.76 0.08 5.22 0.40 -0.00 -4.92 117.98 123.16 1h9k s PHE 9 Ca 0.01 -0.42 -0.10 0.00 -0.60 0.00 0.00 56.93 55.82 1h9k s PHE 9 Cb -0.18 -1.74 -0.06 0.00 0.51 0.00 0.00 43.02 41.55 1h9k s PHE 9 CO -0.12 -0.03 0.40 0.21 0.70 0.00 0.00 175.22 176.38 1h9k s LYS 10 N -0.14 3.75 0.15 0.44 2.47 -1.26 -0.03 119.74 125.11 1h9k s LYS 10 Ca -0.01 0.16 -0.09 0.00 -1.56 0.00 0.00 55.97 54.47 1h9k s LYS 10 Cb -0.14 -2.99 0.03 0.00 -1.46 0.00 0.00 37.83 33.28 1h9k s LYS 10 CO 0.03 0.55 0.44 0.41 0.16 0.00 0.00 175.35 176.95 1h9k n GLY 11 N 0.85 1.26 3.31 5.54 0.00 -0.36 -3.86 105.19 111.94 1h9k n GLY 11 Ca -0.08 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 1h9k n GLY 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h9k s THR 12 N -2.45 1.98 -0.01 2.61 -4.23 -0.96 -1.23 115.64 111.35 1h9k s THR 12 Ca 0.09 -1.24 -0.30 0.00 -1.18 0.00 0.00 61.69 59.06 1h9k s THR 12 Cb -0.02 -1.68 -0.06 0.00 1.34 0.00 0.00 72.50 72.08 1h9k s THR 12 CO 0.04 0.40 1.44 -0.69 -0.54 0.00 0.00 174.62 175.27 1h9k s VAL 13 N -0.72 3.67 -0.11 2.29 1.01 0.20 -0.95 120.40 125.79 1h9k s VAL 13 Ca 0.10 1.03 0.21 0.00 0.00 0.00 0.00 61.98 63.32 1h9k s VAL 13 Cb -0.10 -3.66 -0.23 0.00 0.00 0.00 0.00 36.38 32.39 1h9k s VAL 13 CO 0.01 -0.02 0.57 -1.54 0.00 0.00 0.00 175.10 174.12 1h9k n SER 14 N 5.63 0.28 -3.64 3.32 3.41 0.13 -0.16 113.62 122.59 1h9k n SER 14 Ca 0.14 0.11 -0.15 0.00 -0.26 0.00 0.00 58.87 58.71 1h9k n SER 14 Cb 0.43 1.30 -0.08 0.00 -0.26 0.00 0.00 64.21 65.61 1h9k n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h9k s ALA 15 N -3.24 -1.53 -0.12 7.33 0.00 -1.17 -4.84 121.76 118.19 1h9k s ALA 15 Ca -0.06 1.55 0.01 0.00 0.00 0.00 0.00 51.96 53.46 1h9k s ALA 15 Cb 0.11 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.54 1h9k s ALA 15 CO 0.86 -0.31 -0.14 -1.17 0.00 0.00 0.00 175.76 175.00 1h9k s LEU 16 N -0.14 1.64 -0.32 0.00 2.96 -1.26 -0.88 118.68 120.69 1h9k s LEU 16 Ca -0.03 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1h9k s LEU 16 Cb -0.03 -1.07 0.10 0.00 0.50 0.00 0.00 46.19 45.68 1h9k s LEU 16 CO 0.03 -0.02 0.06 -1.59 -1.32 0.00 0.00 176.35 173.51 1h9k s LYS 17 N 1.20 1.24 -0.12 1.98 0.00 0.57 -4.98 119.74 119.62 1h9k s LYS 17 Ca -0.02 -1.52 -0.12 0.00 0.00 0.00 0.00 55.97 54.30 1h9k s LYS 17 Cb -0.14 -2.73 -0.05 0.00 0.00 0.00 0.00 37.83 34.91 1h9k s LYS 17 CO -0.05 -0.92 0.27 -1.21 0.00 0.00 0.00 175.35 173.44 1h9k s GLU 18 N 1.19 3.99 0.00 1.78 2.02 -1.26 -0.14 118.70 126.28 1h9k s GLU 18 Ca 0.09 0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.16 1h9k s GLU 18 Cb -0.18 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.72 1h9k s GLU 18 CO -0.14 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.01 1h9k n GLY 19 N 2.75 4.76 0.01 -1.39 0.00 0.49 -5.00 105.19 106.80 1h9k n GLY 19 Ca -0.15 -2.09 0.13 0.00 0.00 0.00 0.00 46.02 43.92 1h9k n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h9k n ALA 20 N -3.00 2.72 0.00 4.61 0.00 -1.26 -4.23 120.51 119.35 1h9k n ALA 20 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1h9k n ALA 20 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1h9k n ALA 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1h9k n VAL 21 N -1.55 0.00 -4.39 0.00 0.31 -1.26 -4.92 118.33 106.52 1h9k n VAL 21 Ca 0.06 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.20 1h9k n VAL 21 Cb 0.35 -1.06 -0.10 0.00 -0.91 0.00 0.00 33.84 32.12 1h9k n VAL 21 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1h9k s ASN 22 N -4.57 1.86 -0.03 4.52 0.02 -1.26 -0.94 114.94 114.54 1h9k s ASN 22 Ca 0.00 -1.45 0.01 0.00 -1.02 0.00 0.00 52.86 50.40 1h9k s ASN 22 Cb 0.00 0.16 0.02 0.00 0.02 0.00 0.00 41.25 41.45 1h9k s ASN 22 CO 0.00 -0.74 -0.03 0.00 0.02 0.00 0.00 177.10 176.35 1h9k s ALA 23 N -3.50 0.54 -0.18 0.60 0.00 0.23 -0.38 121.76 119.07 1h9k s ALA 23 Ca 0.35 -0.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.15 1h9k s ALA 23 Cb 0.07 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1h9k s ALA 23 CO 0.15 -0.00 0.31 -2.00 0.00 0.00 0.00 175.76 174.22 1h9k s GLU 24 N 0.77 4.22 -0.23 0.00 2.12 0.80 -1.48 118.70 124.90 1h9k s GLU 24 Ca -0.09 0.09 -0.01 0.00 0.36 0.00 0.00 54.97 55.32 1h9k s GLU 24 Cb -0.12 -3.47 0.02 0.00 0.26 0.00 0.00 34.13 30.82 1h9k s GLU 24 CO -0.00 0.15 -0.10 0.08 -0.54 0.00 0.00 175.26 174.85 1h9k s VAL 25 N 0.75 2.64 -0.19 3.70 1.01 0.54 -0.32 120.40 128.53 1h9k s VAL 25 Ca 0.16 -1.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 1h9k s VAL 25 Cb -0.13 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1h9k s VAL 25 CO 0.05 0.28 0.26 -1.81 0.00 0.00 0.00 175.10 173.88 1h9k s ASP 26 N 1.31 6.32 -0.09 3.32 1.01 -0.06 -1.07 116.67 127.41 1h9k s ASP 26 Ca 0.01 0.37 0.04 0.00 0.71 0.00 0.00 52.55 53.68 1h9k s ASP 26 Cb -0.16 -2.16 0.00 0.00 1.01 0.00 0.00 42.92 41.61 1h9k s ASP 26 CO -0.07 0.06 -0.22 -0.63 0.21 0.00 0.00 175.17 174.53 1h9k s ILE 27 N 0.78 1.88 -0.34 0.77 1.01 -0.51 0.22 121.20 125.01 1h9k s ILE 27 Ca 0.14 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.72 1h9k s ILE 27 Cb -0.13 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 1h9k s ILE 27 CO 0.04 0.52 0.36 -0.22 0.00 0.00 0.00 174.94 175.64 1h9k s LEU 28 N 0.37 4.44 0.60 2.97 2.96 -0.12 -0.65 118.68 129.24 1h9k s LEU 28 Ca -0.17 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.47 1h9k s LEU 28 Cb -0.17 -2.34 0.03 0.00 0.50 0.00 0.00 46.19 44.21 1h9k s LEU 28 CO 0.08 -0.34 0.88 -0.76 -1.32 0.00 0.00 176.35 174.88 1h9k s LEU 29 N 2.01 3.17 0.07 -0.68 1.43 0.11 -2.27 118.68 122.52 1h9k s LEU 29 Ca 0.12 0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 53.49 1h9k s LEU 29 Cb -0.17 -3.19 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 1h9k s LEU 29 CO 0.12 -1.20 1.06 0.61 0.23 0.00 0.00 176.35 177.16 1h9k n GLY 30 N -2.56 -2.39 0.00 -3.19 0.00 -1.25 -1.18 105.19 94.61 1h9k n GLY 30 Ca 0.06 0.74 0.03 0.00 0.00 0.00 0.00 46.02 46.85 1h9k n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h9k n GLY 31 N -1.10 -0.63 0.00 -0.02 0.00 -1.26 -4.72 105.19 97.46 1h9k n GLY 31 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1h9k n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h9k n GLY 32 N -0.92 0.70 3.77 -0.02 0.00 -0.33 -4.18 105.19 104.21 1h9k n GLY 32 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1h9k n GLY 32 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h9k s ASP 33 N -1.79 6.65 -0.09 1.61 1.01 -1.25 -4.77 116.67 118.05 1h9k s ASP 33 Ca 0.00 2.63 -0.01 0.00 0.71 0.00 0.00 52.55 55.87 1h9k s ASP 33 Cb 0.00 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 1h9k s ASP 33 CO 0.00 -0.61 -0.02 -0.54 0.21 0.00 0.00 175.17 174.20 1h9k s LYS 34 N -1.94 3.00 -0.03 8.23 1.02 -1.26 0.07 119.74 128.82 1h9k s LYS 34 Ca 0.52 -0.46 0.03 0.00 0.02 0.00 0.00 55.97 56.07 1h9k s LYS 34 Cb -0.38 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 1h9k s LYS 34 CO 0.50 0.64 -0.11 -1.17 -0.92 0.00 0.00 175.35 174.29 1h9k s LEU 35 N -0.71 1.77 -0.13 3.17 2.96 0.18 -4.96 118.68 120.96 1h9k s LEU 35 Ca 0.11 -0.23 -0.07 0.00 -0.22 0.00 0.00 54.13 53.72 1h9k s LEU 35 Cb -0.12 -0.67 -0.04 0.00 0.50 0.00 0.00 46.19 45.87 1h9k s LEU 35 CO 0.02 0.07 0.12 0.00 -1.32 0.00 0.00 176.35 175.25 1h9k s ALA 36 N 0.25 3.79 0.07 5.97 0.00 -1.26 -1.42 121.76 129.16 1h9k s ALA 36 Ca -0.05 -0.66 0.08 0.00 0.00 0.00 0.00 51.96 51.33 1h9k s ALA 36 Cb -0.10 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 1h9k s ALA 36 CO 0.01 0.55 -0.22 0.00 0.00 0.00 0.00 175.76 176.10 1h9k s ALA 37 N -0.81 1.88 -0.13 0.00 0.00 -0.23 -4.33 121.76 118.14 1h9k s ALA 37 Ca 0.14 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.93 1h9k s ALA 37 Cb -0.12 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.69 1h9k s ALA 37 CO 0.03 0.41 -0.20 0.08 0.00 0.00 0.00 175.76 176.08 1h9k s VAL 38 N -0.96 1.89 0.28 0.00 1.01 -0.37 -0.34 120.40 121.92 1h9k s VAL 38 Ca 0.08 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.24 1h9k s VAL 38 Cb -0.09 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 34.54 1h9k s VAL 38 CO 0.03 0.52 -0.01 0.68 0.00 0.00 0.00 175.10 176.31 1h9k s VAL 39 N 0.87 1.40 0.64 2.92 -7.23 -0.55 -4.54 120.40 113.92 1h9k s VAL 39 Ca -0.07 -2.07 -0.15 0.00 -1.81 0.00 0.00 61.98 57.89 1h9k s VAL 39 Cb -0.15 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 1h9k s VAL 39 CO -0.02 -0.22 1.08 0.42 -0.31 0.00 0.00 175.10 176.05 1h9k s THR 40 N -3.17 3.56 0.24 5.32 -4.23 -1.26 -0.60 115.64 115.49 1h9k s THR 40 Ca 0.31 0.70 -0.05 0.00 -1.18 0.00 0.00 61.69 61.46 1h9k s THR 40 Cb 0.06 -3.24 0.19 0.00 1.34 0.00 0.00 72.50 70.86 1h9k s THR 40 CO 0.12 -0.47 1.76 0.25 -0.54 0.00 0.00 174.62 175.74 1h9k h LEU 41 N 0.08 0.42 -0.77 4.79 5.85 -1.30 -1.31 115.31 123.07 1h9k h LEU 41 Ca -0.46 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.43 1h9k h LEU 41 Cb 1.23 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.20 1h9k h LEU 41 CO 0.56 0.21 0.42 -0.08 -0.34 0.00 0.00 178.44 179.21 1h9k h GLU 42 N 0.56 0.68 -0.52 1.25 4.57 -1.92 -0.98 114.58 118.23 1h9k h GLU 42 Ca 0.38 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.43 1h9k h GLU 42 Cb 0.47 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 1h9k h GLU 42 CO -0.32 0.45 -0.02 0.77 -1.18 0.00 0.00 179.01 178.71 1h9k h SER 43 N 0.70 0.86 -0.53 1.04 0.02 -1.77 0.30 113.55 114.18 1h9k h SER 43 Ca 0.38 -0.23 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 1h9k h SER 43 Cb 0.37 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1h9k h SER 43 CO -0.26 0.94 -0.01 0.00 -1.14 0.00 0.00 176.83 176.36 1h9k h ALA 44 N 1.15 0.92 -0.18 3.77 0.00 -0.32 0.19 119.26 124.80 1h9k h ALA 44 Ca 0.15 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1h9k h ALA 44 Cb 0.52 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1h9k h ALA 44 CO 0.03 0.64 -0.14 0.00 0.00 0.00 0.00 179.25 179.77 1h9k h ARG 45 N 0.89 0.41 -0.16 0.00 3.08 -1.10 -2.17 114.38 115.35 1h9k h ARG 45 Ca 0.16 -0.20 -0.18 0.00 0.07 0.00 0.00 59.98 59.83 1h9k h ARG 45 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 1h9k h ARG 45 CO 0.03 0.76 -0.65 0.66 -1.07 0.00 0.00 179.97 179.70 1h9k h SER 46 N 0.07 0.67 0.59 7.04 4.64 -0.71 -1.53 113.55 124.31 1h9k h SER 46 Ca 0.03 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1h9k h SER 46 Cb 0.66 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1h9k h SER 46 CO 0.04 1.14 0.00 0.18 -0.87 0.00 0.00 176.83 177.32 1h9k n LEU 47 N -3.92 0.00 -2.59 5.97 4.77 0.63 -4.93 117.00 116.93 1h9k n LEU 47 Ca -0.04 0.36 -0.19 0.00 -0.03 0.00 0.00 56.01 56.11 1h9k n LEU 47 Cb 0.66 -0.36 0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1h9k n LEU 47 CO 0.49 -0.06 0.03 0.00 -1.33 0.00 0.00 177.39 176.51 1h9k n GLN 48 N -1.36 -4.39 -1.79 3.23 6.02 -0.58 -4.93 117.38 113.59 1h9k n GLN 48 Ca 0.10 0.74 -0.39 0.00 -0.01 0.00 0.00 57.00 57.44 1h9k n GLN 48 Cb 0.23 -5.28 0.03 0.00 1.02 0.00 0.00 30.24 26.23 1h9k n GLN 48 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1h9k s LEU 49 N -5.66 4.02 -0.07 1.08 1.43 -0.83 -5.03 118.68 113.62 1h9k s LEU 49 Ca 0.28 2.87 -0.31 0.00 -1.03 0.00 0.00 54.13 55.95 1h9k s LEU 49 Cb -0.12 -4.05 0.08 0.00 0.03 0.00 0.00 46.19 42.12 1h9k s LEU 49 CO 0.35 -1.31 0.72 0.00 0.23 0.00 0.00 176.35 176.33 1h9k s ALA 50 N -1.24 -1.79 0.36 4.21 0.00 -1.26 -4.95 121.76 117.09 1h9k s ALA 50 Ca 0.65 1.38 -0.28 0.00 0.00 0.00 0.00 51.96 53.70 1h9k s ALA 50 Cb -0.43 -0.13 -0.12 0.00 0.00 0.00 0.00 23.12 22.44 1h9k s ALA 50 CO 0.53 -0.36 1.42 0.00 0.00 0.00 0.00 175.76 177.35 1h9k n ALA 51 N 0.96 1.97 -0.03 0.00 0.00 -1.26 -2.38 120.51 119.77 1h9k n ALA 51 Ca -0.18 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1h9k n ALA 51 Cb 0.57 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1h9k n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h9k n GLY 52 N 0.65 0.84 3.86 0.00 0.00 0.77 -4.96 105.19 106.35 1h9k n GLY 52 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1h9k n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1h9k s LYS 53 N -0.71 3.93 0.17 1.61 2.20 -1.00 -4.69 119.74 121.24 1h9k s LYS 53 Ca 0.00 0.50 -0.26 0.00 -0.36 0.00 0.00 55.97 55.85 1h9k s LYS 53 Cb 0.00 -2.57 -0.08 0.00 -1.51 0.00 0.00 37.83 33.67 1h9k s LYS 53 CO 0.00 0.25 0.80 -1.21 -0.36 0.00 0.00 175.35 174.83 1h9k s GLU 54 N -2.81 4.61 0.18 4.03 2.02 -1.26 -0.62 118.70 124.84 1h9k s GLU 54 Ca 0.50 1.20 -0.01 0.00 0.02 0.00 0.00 54.97 56.69 1h9k s GLU 54 Cb -0.11 -3.27 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 1h9k s GLU 54 CO 0.19 0.54 0.09 0.14 0.02 0.00 0.00 175.26 176.24 1h9k s VAL 55 N -1.06 0.14 -0.04 2.63 -7.23 -0.37 -4.59 120.40 109.87 1h9k s VAL 55 Ca 0.37 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.62 1h9k s VAL 55 Cb -0.23 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 1h9k s VAL 55 CO 0.27 -0.21 -0.18 0.68 -0.31 0.00 0.00 175.10 175.34 1h9k s VAL 56 N -4.05 2.72 -0.11 1.32 -7.23 -0.16 -1.22 120.40 111.68 1h9k s VAL 56 Ca 0.32 -0.85 -0.01 0.00 -1.81 0.00 0.00 61.98 59.64 1h9k s VAL 56 Cb 0.07 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 1h9k s VAL 56 CO 0.08 0.58 -0.08 0.00 -0.31 0.00 0.00 175.10 175.37 1h9k s ALA 57 N -0.62 2.87 -0.11 1.32 0.00 0.95 -0.95 121.76 125.22 1h9k s ALA 57 Ca 0.09 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.21 1h9k s ALA 57 Cb -0.11 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.71 1h9k s ALA 57 CO 0.00 0.37 -0.22 0.08 0.00 0.00 0.00 175.76 176.00 1h9k s VAL 58 N -0.13 1.95 -0.08 0.00 1.01 0.20 -0.82 120.40 122.53 1h9k s VAL 58 Ca 0.01 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 1h9k s VAL 58 Cb -0.13 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.56 1h9k s VAL 58 CO 0.03 0.53 -0.05 -0.69 0.00 0.00 0.00 175.10 174.92 1h9k s VAL 59 N 0.56 0.75 0.45 2.92 1.01 -0.32 -1.39 120.40 124.38 1h9k s VAL 59 Ca -0.14 -0.15 -0.23 0.00 0.00 0.00 0.00 61.98 61.46 1h9k s VAL 59 Cb -0.17 -0.79 -0.08 0.00 0.00 0.00 0.00 36.38 35.34 1h9k s VAL 59 CO 0.04 0.31 1.12 -0.75 0.00 0.00 0.00 175.10 175.82 1h9k s LYS 60 N 1.50 3.87 0.23 2.72 2.20 -1.26 -2.84 119.74 126.15 1h9k s LYS 60 Ca -0.01 1.65 -0.06 0.00 -0.36 0.00 0.00 55.97 57.19 1h9k s LYS 60 Cb -0.13 -2.41 0.36 0.00 -1.51 0.00 0.00 37.83 34.14 1h9k s LYS 60 CO -0.04 -0.42 1.77 0.00 -0.36 0.00 0.00 175.35 176.29 1h9k h ALA 61 N 2.12 0.99 0.00 3.13 0.00 -1.94 -1.00 119.26 122.56 1h9k h ALA 61 Ca -0.49 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1h9k h ALA 61 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1h9k h ALA 61 CO 0.61 -0.08 0.00 -0.35 0.00 0.00 0.00 179.25 179.42 1h9k n PRO 62 N -4.89 0.00 0.00 0.00 -0.04 -1.26 -1.85 135.00 126.96 1h9k n PRO 62 Ca 0.12 0.38 0.13 0.00 -0.04 0.00 0.00 63.50 64.08 1h9k n PRO 62 Cb 0.30 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.59 1h9k n PRO 62 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1h9k n TRP 63 N -1.50 0.00 -3.66 0.54 8.01 -0.38 -4.85 117.44 115.61 1h9k n TRP 63 Ca 0.02 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.84 1h9k n TRP 63 Cb 0.08 -0.11 -0.09 0.00 -2.01 0.00 0.00 31.31 29.17 1h9k n TRP 63 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 1h9k s VAL 64 N -2.52 5.36 0.18 -0.99 1.01 -0.87 -4.68 120.40 117.88 1h9k s VAL 64 Ca 0.23 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 1h9k s VAL 64 Cb 0.19 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1h9k s VAL 64 CO 0.53 0.35 0.37 -0.76 0.00 0.00 0.00 175.10 175.59 1h9k s LEU 65 N 1.04 4.25 -0.05 3.92 1.02 -0.23 -4.49 118.68 124.13 1h9k s LEU 65 Ca 0.08 0.41 0.02 0.00 0.02 0.00 0.00 54.13 54.66 1h9k s LEU 65 Cb -0.13 -3.16 -0.03 0.00 0.02 0.00 0.00 46.19 42.89 1h9k s LEU 65 CO 0.04 -0.01 -0.10 -0.76 0.02 0.00 0.00 176.35 175.54 1h9k s LEU 66 N -3.17 2.99 -0.03 1.79 1.43 -1.26 -0.30 118.68 120.14 1h9k s LEU 66 Ca 0.38 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1h9k s LEU 66 Cb -0.11 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.47 1h9k s LEU 66 CO 0.28 0.35 -0.08 -0.32 0.23 0.00 0.00 176.35 176.81 1h9k s MET 67 N -0.83 0.87 -0.12 1.70 1.75 0.55 -4.95 119.30 118.28 1h9k s MET 67 Ca 0.12 -0.26 0.10 0.00 -1.25 0.00 0.00 55.69 54.40 1h9k s MET 67 Cb -0.11 -0.83 -0.15 0.00 2.84 0.00 0.00 34.83 36.59 1h9k s MET 67 CO 0.01 0.09 0.03 0.25 -0.65 0.00 0.00 175.02 174.76 1h9k n THR 68 N 3.35 0.84 -3.55 10.11 -2.24 -1.26 -0.04 114.28 121.48 1h9k n THR 68 Ca -0.19 -0.51 -0.19 0.00 -2.27 0.00 0.00 64.05 60.89 1h9k n THR 68 Cb 0.54 -0.69 -0.14 0.00 -2.10 0.00 0.00 70.33 67.94 1h9k n THR 68 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h9k s ASP 69 N -4.54 1.41 0.45 3.42 -1.08 -1.26 -4.91 116.67 110.16 1h9k s ASP 69 Ca -0.07 -0.17 0.25 0.00 -0.52 0.00 0.00 52.55 52.04 1h9k s ASP 69 Cb 0.04 0.25 0.58 0.00 -1.46 0.00 0.00 42.92 42.33 1h9k s ASP 69 CO 0.49 -0.31 1.69 0.77 0.52 0.00 0.00 175.17 178.33 1h9k h SER 70 N 8.34 0.00 -5.74 -0.34 4.64 -1.92 -3.48 113.55 115.05 1h9k h SER 70 Ca -0.16 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.73 1h9k h SER 70 Cb 1.14 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 1h9k h SER 70 CO 0.25 0.06 -0.67 -0.24 -0.87 0.00 0.00 176.83 175.36 1h9k n SER 71 N -3.13 -4.75 0.00 4.97 2.88 -1.26 -1.11 113.62 111.22 1h9k n SER 71 Ca 0.03 -0.58 0.00 0.00 -1.33 0.00 0.00 58.87 56.99 1h9k n SER 71 Cb 0.49 -3.83 0.00 0.00 -0.75 0.00 0.00 64.21 60.12 1h9k n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1h9k n GLY 72 N -1.51 2.70 3.77 0.46 0.00 -1.26 -5.01 105.19 104.33 1h9k n GLY 72 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1h9k n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h9k s TYR 73 N -2.07 2.75 -0.11 1.61 1.51 -0.27 -5.03 117.35 115.74 1h9k s TYR 73 Ca 0.00 1.48 -0.01 0.00 -1.01 0.00 0.00 57.07 57.53 1h9k s TYR 73 Cb 0.00 -3.53 -0.03 0.00 -0.11 0.00 0.00 41.96 38.29 1h9k s TYR 73 CO 0.00 -1.92 -0.07 1.03 -1.11 0.00 0.00 175.55 173.48 1h9k s ARG 74 N -2.61 3.15 0.29 -0.62 0.52 -1.26 -4.92 118.95 113.50 1h9k s ARG 74 Ca 0.63 -0.57 0.08 0.00 -0.52 0.00 0.00 55.73 55.35 1h9k s ARG 74 Cb -0.33 -2.69 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 1h9k s ARG 74 CO 0.41 0.45 0.12 -0.51 0.02 0.00 0.00 175.30 175.79 1h9k s LEU 75 N -0.22 3.43 0.44 2.53 1.43 -1.26 -5.02 118.68 120.01 1h9k s LEU 75 Ca 0.03 -0.55 0.24 0.00 -1.03 0.00 0.00 54.13 52.82 1h9k s LEU 75 Cb -0.13 -1.96 0.48 0.00 0.03 0.00 0.00 46.19 44.62 1h9k s LEU 75 CO 0.03 -0.13 1.66 0.77 0.23 0.00 0.00 176.35 178.91 1h9k h SER 76 N 1.62 0.00 -3.52 2.29 4.64 -2.03 -3.45 113.55 113.10 1h9k h SER 76 Ca -0.45 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.34 1h9k h SER 76 Cb 1.25 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.39 1h9k h SER 76 CO 0.61 0.06 0.71 0.00 -0.87 0.00 0.00 176.83 177.33 1h9k s ALA 77 N -3.27 3.57 0.25 5.18 0.00 -1.26 -4.94 121.76 121.30 1h9k s ALA 77 Ca 0.06 1.27 0.08 0.00 0.00 0.00 0.00 51.96 53.37 1h9k s ALA 77 Cb 0.06 -3.52 0.29 0.00 0.00 0.00 0.00 23.12 19.95 1h9k s ALA 77 CO 0.66 -0.68 1.58 0.00 0.00 0.00 0.00 175.76 177.31 1h9k h ARG 78 N 4.62 0.07 -4.78 0.00 -0.00 -1.88 -3.43 114.38 108.97 1h9k h ARG 78 Ca -0.47 -0.05 -0.68 0.00 -0.50 0.00 0.00 59.98 58.29 1h9k h ARG 78 Cb 1.22 0.01 -0.24 0.00 0.00 0.00 0.00 29.97 30.96 1h9k h ARG 78 CO 0.74 0.69 -0.57 -0.80 0.00 0.00 0.00 179.97 180.02 1h9k s ASN 79 N -6.86 5.43 -0.39 7.04 0.01 -0.98 -4.90 114.94 114.28 1h9k s ASN 79 Ca -0.02 -0.58 0.02 0.00 -0.71 0.00 0.00 52.86 51.57 1h9k s ASN 79 Cb 0.12 -1.97 0.11 0.00 0.41 0.00 0.00 41.25 39.93 1h9k s ASN 79 CO 0.78 -0.20 0.15 -0.63 -1.51 0.00 0.00 177.10 175.69 1h9k s ILE 80 N 1.58 1.72 -0.31 0.60 1.01 -1.26 -0.84 121.20 123.71 1h9k s ILE 80 Ca 0.04 -2.32 -0.08 0.00 0.00 0.00 0.00 60.65 58.29 1h9k s ILE 80 Cb -0.17 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.06 1h9k s ILE 80 CO 0.05 -0.73 0.12 -0.76 0.00 0.00 0.00 174.94 173.62 1h9k s LEU 81 N 0.74 4.02 0.10 2.97 1.43 -0.13 -4.90 118.68 122.90 1h9k s LEU 81 Ca 0.13 -0.63 -0.22 0.00 -1.03 0.00 0.00 54.13 52.39 1h9k s LEU 81 Cb -0.21 -1.95 -0.07 0.00 0.03 0.00 0.00 46.19 43.99 1h9k s LEU 81 CO -0.09 -0.20 0.64 0.42 0.23 0.00 0.00 176.35 177.35 1h9k s THR 82 N 1.56 4.63 0.00 5.49 -4.23 -1.26 -0.59 115.64 121.24 1h9k s THR 82 Ca 0.04 1.39 0.00 0.00 -1.18 0.00 0.00 61.69 61.93 1h9k s THR 82 Cb -0.17 -3.99 0.00 0.00 1.34 0.00 0.00 72.50 69.68 1h9k s THR 82 CO 0.04 0.53 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 1h9k n GLY 83 N 1.75 2.55 3.30 3.99 0.00 0.37 -3.97 105.19 113.18 1h9k n GLY 83 Ca -0.08 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 44.65 1h9k n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h9k s THR 84 N -2.84 1.91 0.10 2.61 -4.23 -0.08 -1.63 115.64 111.47 1h9k s THR 84 Ca 0.00 -1.38 -0.31 0.00 -1.18 0.00 0.00 61.69 58.82 1h9k s THR 84 Cb 0.00 -1.66 -0.07 0.00 1.34 0.00 0.00 72.50 72.10 1h9k s THR 84 CO 0.00 0.22 1.36 -0.69 -0.54 0.00 0.00 174.62 174.96 1h9k s VAL 85 N -0.88 3.47 -0.17 2.29 1.01 -0.19 0.13 120.40 126.06 1h9k s VAL 85 Ca 0.10 1.04 -0.05 0.00 0.00 0.00 0.00 61.98 63.07 1h9k s VAL 85 Cb -0.09 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 1h9k s VAL 85 CO 0.03 0.07 -0.19 1.17 0.00 0.00 0.00 175.10 176.18 1h9k n LYS 86 N 4.06 0.38 -3.83 2.72 4.81 0.35 -0.57 118.16 126.09 1h9k n LYS 86 Ca 0.11 0.14 -0.13 0.00 -0.87 0.00 0.00 58.31 57.56 1h9k n LYS 86 Cb 0.43 -1.20 -0.14 0.00 0.02 0.00 0.00 35.03 34.14 1h9k n LYS 86 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1h9k s THR 87 N -2.32 -0.01 -0.04 3.15 2.01 -1.04 -4.84 115.64 112.54 1h9k s THR 87 Ca -0.23 0.05 0.03 0.00 0.31 0.00 0.00 61.69 61.85 1h9k s THR 87 Cb 0.08 -0.11 0.00 0.00 0.01 0.00 0.00 72.50 72.48 1h9k s THR 87 CO 0.33 0.02 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.51 1h9k s ILE 88 N 0.29 1.17 -0.16 1.82 1.01 -1.26 -0.70 121.20 123.36 1h9k s ILE 88 Ca -0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 1h9k s ILE 88 Cb -0.03 -1.02 0.05 0.00 0.01 0.00 0.00 42.46 41.46 1h9k s ILE 88 CO -0.01 0.35 -0.02 -0.70 0.00 0.00 0.00 174.94 174.55 1h9k s GLU 89 N 0.14 1.15 0.11 2.79 2.12 -0.55 -4.99 118.70 119.47 1h9k s GLU 89 Ca -0.04 -0.44 -0.22 0.00 0.36 0.00 0.00 54.97 54.63 1h9k s GLU 89 Cb -0.11 -1.94 -0.07 0.00 0.26 0.00 0.00 34.13 32.28 1h9k s GLU 89 CO 0.02 -0.48 0.65 0.99 -0.54 0.00 0.00 175.26 175.90 1h9k s THR 90 N 1.71 4.59 0.00 -1.70 2.01 -1.26 -1.06 115.64 119.94 1h9k s THR 90 Ca 0.00 1.41 0.00 0.00 0.31 0.00 0.00 61.69 63.42 1h9k s THR 90 Cb -0.16 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.36 1h9k s THR 90 CO -0.07 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 1h9k n GLY 91 N 1.68 2.62 0.12 4.40 0.00 0.35 -4.98 105.19 109.37 1h9k n GLY 91 Ca -0.08 -1.35 -0.23 0.00 0.00 0.00 0.00 46.02 44.36 1h9k n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h9k n ALA 92 N -3.00 0.94 0.00 4.61 0.00 -1.26 -4.74 120.51 117.06 1h9k n ALA 92 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1h9k n ALA 92 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1h9k n ALA 92 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1h9k n VAL 93 N -4.37 0.00 -3.79 0.00 0.24 -1.26 -4.94 118.33 104.22 1h9k n VAL 93 Ca -0.38 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 61.67 1h9k n VAL 93 Cb 0.72 0.05 -0.01 0.00 -1.47 0.00 0.00 33.84 33.13 1h9k n VAL 93 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1h9k s ASN 94 N -2.26 4.72 -0.04 -1.34 0.01 -1.26 -0.26 114.94 114.50 1h9k s ASN 94 Ca 0.00 -1.13 -0.25 0.00 -0.71 0.00 0.00 52.86 50.78 1h9k s ASN 94 Cb 0.00 0.19 0.05 0.00 0.41 0.00 0.00 41.25 41.91 1h9k s ASN 94 CO 0.00 -1.02 0.54 0.00 -1.51 0.00 0.00 177.10 175.12 1h9k s ALA 95 N -2.71 -1.40 -0.21 0.60 0.00 0.12 -0.49 121.76 117.66 1h9k s ALA 95 Ca 0.39 0.98 -0.06 0.00 0.00 0.00 0.00 51.96 53.27 1h9k s ALA 95 Cb -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1h9k s ALA 95 CO 0.24 -0.33 0.03 -1.21 0.00 0.00 0.00 175.76 174.49 1h9k s GLU 96 N -1.17 3.67 -0.08 0.00 2.02 -0.22 -1.10 118.70 121.83 1h9k s GLU 96 Ca -0.11 -0.48 0.04 0.00 0.02 0.00 0.00 54.97 54.43 1h9k s GLU 96 Cb -0.02 -3.18 -0.01 0.00 0.10 0.00 0.00 34.13 31.02 1h9k s GLU 96 CO 0.08 -0.02 -0.20 0.08 0.02 0.00 0.00 175.26 175.22 1h9k s VAL 97 N 1.13 2.51 -0.11 2.63 1.01 0.21 -1.48 120.40 126.28 1h9k s VAL 97 Ca 0.03 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1h9k s VAL 97 Cb -0.14 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1h9k s VAL 97 CO 0.02 0.56 -0.18 -0.89 0.00 0.00 0.00 175.10 174.61 1h9k s THR 98 N -0.09 2.60 0.05 3.92 2.01 0.12 -0.42 115.64 123.83 1h9k s THR 98 Ca -0.04 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.19 1h9k s THR 98 Cb -0.14 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1h9k s THR 98 CO 0.04 0.54 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.65 1h9k s LEU 99 N 0.32 3.01 -0.23 4.42 1.43 0.47 -0.50 118.68 127.60 1h9k s LEU 99 Ca -0.14 -0.30 -0.10 0.00 -1.03 0.00 0.00 54.13 52.56 1h9k s LEU 99 Cb -0.17 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 1h9k s LEU 99 CO 0.07 0.23 0.15 0.00 0.23 0.00 0.00 176.35 177.04 1h9k s ALA 100 N -1.07 3.61 0.52 4.21 0.00 0.12 -0.89 121.76 128.25 1h9k s ALA 100 Ca 0.18 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 1h9k s ALA 100 Cb -0.11 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.73 1h9k s ALA 100 CO 0.10 -0.13 0.76 -0.51 0.00 0.00 0.00 175.76 175.97 1h9k s LEU 101 N 0.94 3.43 0.29 0.00 1.43 0.10 -0.90 118.68 123.98 1h9k s LEU 101 Ca 0.07 0.32 -0.29 0.00 -1.03 0.00 0.00 54.13 53.20 1h9k s LEU 101 Cb -0.13 -3.18 -0.10 0.00 0.03 0.00 0.00 46.19 42.81 1h9k s LEU 101 CO 0.03 -0.92 1.38 -1.58 0.23 0.00 0.00 176.35 175.49 1h9k s GLN 102 N -4.73 4.29 0.00 1.70 0.74 -1.25 -1.65 119.66 118.76 1h9k s GLN 102 Ca 0.52 2.28 0.00 0.00 0.05 0.00 0.00 55.36 58.21 1h9k s GLN 102 Cb -0.10 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 30.93 1h9k s GLN 102 CO 0.40 -0.33 0.00 0.41 -0.55 0.00 0.00 175.29 175.22 1h9k n GLY 103 N 1.45 2.96 0.00 2.59 0.00 -1.26 -4.46 105.19 106.47 1h9k n GLY 103 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1h9k n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h9k n GLY 104 N -1.60 1.85 3.78 -0.02 0.00 -0.66 -4.20 105.19 104.35 1h9k n GLY 104 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1h9k n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h9k s THR 105 N -2.25 2.13 -0.09 2.61 2.01 -1.26 -4.65 115.64 114.15 1h9k s THR 105 Ca 0.00 0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.11 1h9k s THR 105 Cb 0.00 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 1h9k s THR 105 CO 0.00 0.03 0.00 -1.61 -0.69 0.00 0.00 174.62 172.35 1h9k s GLU 106 N -2.09 2.98 -0.02 4.92 2.02 -1.26 0.01 118.70 125.26 1h9k s GLU 106 Ca 0.53 -0.41 0.06 0.00 0.02 0.00 0.00 54.97 55.17 1h9k s GLU 106 Cb -0.46 -2.79 -0.01 0.00 0.10 0.00 0.00 34.13 30.97 1h9k s GLU 106 CO 0.62 0.70 -0.20 -1.50 0.02 0.00 0.00 175.26 174.90 1h9k s ILE 107 N -0.88 1.59 -0.09 -1.63 2.07 -0.07 -4.96 121.20 117.23 1h9k s ILE 107 Ca 0.13 -0.85 0.02 0.00 -1.41 0.00 0.00 60.65 58.54 1h9k s ILE 107 Cb -0.11 -1.33 -0.02 0.00 0.13 0.00 0.00 42.46 41.13 1h9k s ILE 107 CO 0.02 0.45 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.45 1h9k s THR 108 N -0.41 2.76 0.03 4.00 2.01 -1.26 -0.39 115.64 122.37 1h9k s THR 108 Ca 0.06 -0.79 0.08 0.00 0.31 0.00 0.00 61.69 61.35 1h9k s THR 108 Cb -0.08 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 1h9k s THR 108 CO -0.00 0.55 -0.23 -0.55 -0.69 0.00 0.00 174.62 173.70 1h9k s SER 109 N -0.02 2.75 -0.27 3.53 0.15 0.44 -4.45 113.70 115.82 1h9k s SER 109 Ca -0.05 -0.52 -0.08 0.00 0.70 0.00 0.00 55.95 56.00 1h9k s SER 109 Cb -0.14 -0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 63.89 1h9k s SER 109 CO 0.04 0.22 0.11 -0.32 1.20 0.00 0.00 173.24 174.49 1h9k s MET 110 N -1.05 3.53 0.39 5.44 1.75 -0.77 -0.62 119.30 127.98 1h9k s MET 110 Ca 0.09 -0.57 0.04 0.00 -1.25 0.00 0.00 55.69 54.00 1h9k s MET 110 Cb -0.09 -3.43 -0.03 0.00 2.84 0.00 0.00 34.83 34.11 1h9k s MET 110 CO 0.01 -0.28 0.10 0.14 -0.65 0.00 0.00 175.02 174.34 1h9k s VAL 111 N 1.62 0.79 0.56 10.11 -7.23 -0.26 -4.47 120.40 121.52 1h9k s VAL 111 Ca 0.06 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.07 1h9k s VAL 111 Cb -0.16 -2.47 -0.06 0.00 0.56 0.00 0.00 36.38 34.26 1h9k s VAL 111 CO 0.05 0.00 1.02 0.42 -0.31 0.00 0.00 175.10 176.28 1h9k s THR 112 N -3.23 4.22 0.43 5.32 -4.23 -1.26 -0.70 115.64 116.18 1h9k s THR 112 Ca 0.27 1.03 0.27 0.00 -1.18 0.00 0.00 61.69 62.07 1h9k s THR 112 Cb 0.04 -3.58 0.29 0.00 1.34 0.00 0.00 72.50 70.60 1h9k s THR 112 CO 0.14 -0.65 2.08 0.07 -0.54 0.00 0.00 174.62 175.73 1h9k h LYS 113 N 0.58 0.00 -0.69 3.99 -0.00 -0.80 -1.91 116.57 117.74 1h9k h LYS 113 Ca -0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 60.65 60.11 1h9k h LYS 113 Cb 1.20 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.40 1h9k h LYS 113 CO 0.60 0.11 0.14 1.05 -0.00 0.00 0.00 179.45 181.35 1h9k h GLU 114 N 0.00 1.13 -0.64 0.07 -0.00 -1.92 -2.47 114.58 110.75 1h9k h GLU 114 Ca -0.00 -0.29 -0.03 0.00 -0.00 0.00 0.00 59.36 59.04 1h9k h GLU 114 Cb 0.31 -0.14 -0.03 0.00 -0.00 0.00 0.00 28.75 28.89 1h9k h GLU 114 CO 0.01 1.01 0.28 0.00 -0.00 0.00 0.00 179.01 180.31 1h9k h ALA 115 N 1.08 1.29 -0.37 1.06 0.00 -1.72 0.92 119.26 121.52 1h9k h ALA 115 Ca 0.21 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1h9k h ALA 115 Cb 0.41 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1h9k h ALA 115 CO 0.01 0.53 0.11 0.28 0.00 0.00 0.00 179.25 180.18 1h9k h VAL 116 N 0.91 1.22 0.65 0.00 2.07 -1.24 -0.58 116.25 119.27 1h9k h VAL 116 Ca 0.22 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1h9k h VAL 116 Cb 0.14 0.99 0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1h9k h VAL 116 CO -0.02 0.25 -0.32 0.00 0.02 0.00 0.00 177.57 177.49 1h9k h ALA 117 N 0.95 -0.89 -0.80 1.67 0.00 -1.00 -1.87 119.26 117.32 1h9k h ALA 117 Ca 0.12 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1h9k h ALA 117 Cb 0.27 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1h9k h ALA 117 CO -0.00 -1.00 0.53 0.93 0.00 0.00 0.00 179.25 179.70 1h9k h GLU 118 N -0.89 0.97 0.00 0.00 5.08 -0.77 -2.10 114.58 116.87 1h9k h GLU 118 Ca -0.09 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1h9k h GLU 118 Cb 0.68 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1h9k h GLU 118 CO 0.14 0.64 0.00 1.28 -1.00 0.00 0.00 179.01 180.07 1h9k n LEU 119 N -4.44 0.55 -1.45 1.33 4.77 -0.23 -4.93 117.00 112.60 1h9k n LEU 119 Ca 0.10 0.55 -0.11 0.00 -0.03 0.00 0.00 56.01 56.52 1h9k n LEU 119 Cb 0.10 -0.38 0.01 0.00 -2.33 0.00 0.00 43.42 40.82 1h9k n LEU 119 CO 0.35 -0.13 -0.06 0.61 -1.33 0.00 0.00 177.39 176.83 1h9k n GLY 120 N 1.34 0.01 3.77 -0.72 0.00 -0.74 -4.96 105.19 103.89 1h9k n GLY 120 Ca 0.06 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 1h9k n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h9k s LEU 121 N -3.37 4.01 -0.18 0.99 1.43 -1.00 -5.00 118.68 115.56 1h9k s LEU 121 Ca 0.09 2.40 -0.29 0.00 -1.03 0.00 0.00 54.13 55.30 1h9k s LEU 121 Cb -0.04 -4.21 0.13 0.00 0.03 0.00 0.00 46.19 42.10 1h9k s LEU 121 CO 0.11 -1.00 1.00 -1.59 0.23 0.00 0.00 176.35 175.09 1h9k s LYS 122 N -2.68 0.58 0.14 1.70 -2.85 -1.26 -4.94 119.74 110.43 1h9k s LYS 122 Ca 0.64 0.21 -0.34 0.00 -1.00 0.00 0.00 55.97 55.48 1h9k s LYS 122 Cb -0.31 0.27 -0.16 0.00 -2.06 0.00 0.00 37.83 35.57 1h9k s LYS 122 CO 0.38 -0.17 1.14 -2.30 0.10 0.00 0.00 175.35 174.51 1h9k n PRO 123 N 0.95 0.97 0.00 1.78 -0.02 -1.26 -1.61 135.00 135.82 1h9k n PRO 123 Ca -0.11 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1h9k n PRO 123 Cb 0.58 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1h9k n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h9k n GLY 124 N 2.04 3.29 3.77 -1.23 0.00 0.27 -4.94 105.19 108.39 1h9k n GLY 124 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1h9k n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h9k s ALA 125 N -2.33 3.43 0.21 4.61 0.00 -0.63 -4.62 121.76 122.43 1h9k s ALA 125 Ca 0.00 1.39 -0.29 0.00 0.00 0.00 0.00 51.96 53.06 1h9k s ALA 125 Cb 0.00 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.50 1h9k s ALA 125 CO 0.00 -0.90 0.89 -1.12 0.00 0.00 0.00 175.76 174.63 1h9k s SER 126 N -0.44 7.57 0.17 0.00 0.01 -1.26 -1.02 113.70 118.73 1h9k s SER 126 Ca 0.54 1.85 -0.19 0.00 1.31 0.00 0.00 55.95 59.46 1h9k s SER 126 Cb -0.42 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.28 1h9k s SER 126 CO 0.56 0.16 0.53 0.00 0.41 0.00 0.00 173.24 174.90 1h9k s ALA 127 N -1.11 -1.20 0.01 1.44 0.00 -0.65 -4.76 121.76 115.49 1h9k s ALA 127 Ca 0.40 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.50 1h9k s ALA 127 Cb -0.25 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 1h9k s ALA 127 CO 0.30 -0.76 -0.15 -1.12 0.00 0.00 0.00 175.76 174.03 1h9k s SER 128 N -2.81 4.02 -0.13 0.00 0.01 0.94 -0.48 113.70 115.25 1h9k s SER 128 Ca 0.05 -0.30 -0.15 0.00 1.31 0.00 0.00 55.95 56.86 1h9k s SER 128 Cb -0.01 -0.77 -0.05 0.00 0.21 0.00 0.00 66.02 65.41 1h9k s SER 128 CO -0.09 0.29 0.34 0.00 0.41 0.00 0.00 173.24 174.19 1h9k s ALA 129 N -0.88 3.59 -0.20 1.44 0.00 0.24 -0.33 121.76 125.63 1h9k s ALA 129 Ca 0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 1h9k s ALA 129 Cb -0.11 -2.42 -0.00 0.00 0.00 0.00 0.00 23.12 20.59 1h9k s ALA 129 CO 0.04 0.15 -0.08 0.08 0.00 0.00 0.00 175.76 175.95 1h9k s VAL 130 N 0.22 3.06 -0.08 0.00 1.01 0.59 -0.95 120.40 124.25 1h9k s VAL 130 Ca 0.19 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1h9k s VAL 130 Cb -0.14 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 33.90 1h9k s VAL 130 CO 0.06 0.46 -0.03 -0.63 0.00 0.00 0.00 175.10 174.96 1h9k s ILE 131 N 1.34 0.61 0.44 2.22 1.01 -0.02 -1.07 121.20 125.73 1h9k s ILE 131 Ca 0.04 -0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.40 1h9k s ILE 131 Cb -0.14 -0.71 -0.08 0.00 0.01 0.00 0.00 42.46 41.54 1h9k s ILE 131 CO -0.05 0.29 1.34 -0.54 0.00 0.00 0.00 174.94 175.99 1h9k s LYS 132 N 1.75 3.77 0.45 2.79 1.02 -1.26 -2.33 119.74 125.92 1h9k s LYS 132 Ca 0.03 2.23 0.20 0.00 0.02 0.00 0.00 55.97 58.44 1h9k s LYS 132 Cb -0.13 -2.65 1.06 0.00 -0.52 0.00 0.00 37.83 35.60 1h9k s LYS 132 CO -0.05 -0.68 1.95 0.00 -0.92 0.00 0.00 175.35 175.64 1h9k h ALA 133 N 2.39 1.36 0.00 5.17 0.00 -1.95 0.33 119.26 126.56 1h9k h ALA 133 Ca -0.50 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1h9k h ALA 133 Cb 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1h9k h ALA 133 CO 0.61 0.29 0.00 -1.13 0.00 0.00 0.00 179.25 179.02 1h9k n SER 134 N -3.89 0.00 -1.25 0.00 3.41 -1.26 -1.23 113.62 109.39 1h9k n SER 134 Ca -0.02 0.08 0.08 0.00 -0.26 0.00 0.00 58.87 58.75 1h9k n SER 134 Cb 0.32 -0.30 0.30 0.00 -0.26 0.00 0.00 64.21 64.27 1h9k n SER 134 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1h9k n ASN 135 N -1.30 4.40 -4.46 4.04 5.03 0.10 -4.88 115.26 118.19 1h9k n ASN 135 Ca 0.08 -2.72 -0.36 0.00 0.87 0.00 0.00 54.58 52.45 1h9k n ASN 135 Cb 0.13 -0.54 -0.12 0.00 -1.02 0.00 0.00 39.78 38.23 1h9k n ASN 135 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1h9k s VAL 136 N -2.33 4.16 0.01 2.41 1.01 -0.99 -4.66 120.40 120.01 1h9k s VAL 136 Ca 0.45 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 62.04 1h9k s VAL 136 Cb 0.33 -2.91 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 1h9k s VAL 136 CO 0.15 0.39 0.42 -0.63 0.00 0.00 0.00 175.10 175.43 1h9k s ILE 137 N 1.23 5.01 0.09 2.22 1.01 -0.48 -4.52 121.20 125.76 1h9k s ILE 137 Ca 0.04 0.85 0.05 0.00 0.00 0.00 0.00 60.65 61.59 1h9k s ILE 137 Cb -0.15 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1h9k s ILE 137 CO 0.02 0.57 -0.01 -0.76 0.00 0.00 0.00 174.94 174.76 1h9k s LEU 138 N -1.11 3.44 0.05 2.97 1.43 -1.26 0.61 118.68 124.81 1h9k s LEU 138 Ca 0.24 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.20 1h9k s LEU 138 Cb -0.17 -2.17 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 1h9k s LEU 138 CO 0.14 0.18 -0.13 -0.83 0.23 0.00 0.00 176.35 175.94 1h9k s GLY 139 N -2.28 0.75 -0.02 -3.19 0.00 -0.13 -4.97 107.32 97.48 1h9k s GLY 139 Ca 0.25 -0.84 0.04 0.00 0.00 0.00 0.00 44.72 44.17 1h9k s GLY 139 CO 0.18 -0.84 -0.13 -1.34 0.00 0.00 0.00 173.10 170.97 1h9k s VAL 140 N -1.02 1.03 -2.00 1.40 -7.23 -1.26 -0.99 120.40 110.33 1h9k s VAL 140 Ca -0.01 -0.52 0.14 0.00 -1.81 0.00 0.00 61.98 59.77 1h9k s VAL 140 Cb -0.09 -0.88 0.39 0.00 0.56 0.00 0.00 36.38 36.36 1h9k s VAL 140 CO 0.01 0.30 1.24 -2.65 -0.31 0.00 0.00 175.10 173.69