#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1o h LEU 4 N 0.00 0.00 -7.82 -1.84 3.38 -1.96 -3.41 115.31 103.66 3h1o h LEU 4 Ca 0.00 -0.03 -0.68 0.00 0.09 0.00 0.00 57.88 57.27 3h1o h LEU 4 Cb 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.38 3h1o h LEU 4 CO 0.00 0.01 -0.68 -0.63 0.09 0.00 0.00 178.44 177.23 3h1o s ILE 5 N -3.22 2.67 0.50 1.22 -1.09 -1.26 -5.00 121.20 115.02 3h1o s ILE 5 Ca 0.06 -1.98 0.01 0.00 -2.23 0.00 0.00 60.65 56.51 3h1o s ILE 5 Cb 0.08 -2.79 0.10 0.00 -1.58 0.00 0.00 42.46 38.27 3h1o s ILE 5 CO 0.69 -0.45 0.69 0.35 -1.23 0.00 0.00 174.94 174.99 3h1o n THR 6 N 4.44 0.00 0.24 2.92 -2.24 -1.26 -4.98 114.28 113.40 3h1o n THR 6 Ca -0.04 -1.19 0.11 0.00 -2.27 0.00 0.00 64.05 60.67 3h1o n THR 6 Cb 0.42 -0.94 0.61 0.00 -2.10 0.00 0.00 70.33 68.31 3h1o n THR 6 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3h1o h GLU 7 N 0.00 0.00 -4.03 -0.78 4.81 -1.99 -3.40 114.58 109.19 3h1o h GLU 7 Ca -0.23 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.54 3h1o h GLU 7 Cb 0.88 0.00 -0.36 0.00 0.63 0.00 0.00 28.75 29.90 3h1o h GLU 7 CO 0.26 0.17 -0.78 -0.80 -0.73 0.00 0.00 179.01 177.13 3h1o s ASN 8 N -6.18 1.56 0.19 1.04 0.01 -1.26 -4.06 114.94 106.23 3h1o s ASN 8 Ca -0.01 -0.18 0.08 0.00 -0.71 0.00 0.00 52.86 52.04 3h1o s ASN 8 Cb 0.12 -0.59 -0.04 0.00 0.41 0.00 0.00 41.25 41.15 3h1o s ASN 8 CO 0.61 -0.11 -0.16 -0.04 -1.51 0.00 0.00 177.10 175.89 3h1o s MET 9 N 1.43 1.30 0.29 -0.60 -1.94 -0.85 -5.00 119.30 113.94 3h1o s MET 9 Ca -0.02 -1.50 0.10 0.00 -1.71 0.00 0.00 55.69 52.56 3h1o s MET 9 Cb -0.13 -1.22 -0.05 0.00 2.01 0.00 0.00 34.83 35.44 3h1o s MET 9 CO -0.03 0.22 -0.04 -1.01 -0.01 0.00 0.00 175.02 174.15 3h1o s HIS 10 N -2.53 2.57 0.00 -0.03 3.76 -1.26 -1.84 115.29 115.96 3h1o s HIS 10 Ca 0.19 -0.31 -0.11 0.00 -0.15 0.00 0.00 55.06 54.69 3h1o s HIS 10 Cb -0.03 -1.24 0.01 0.00 1.11 0.00 0.00 32.58 32.43 3h1o s HIS 10 CO 0.07 0.60 0.22 0.00 -0.85 0.00 0.00 174.74 174.77 3h1o s MET 11 N -3.66 0.60 0.02 1.40 0.23 -0.54 -1.28 119.30 116.08 3h1o s MET 11 Ca 0.32 -0.36 0.01 0.00 -1.03 0.00 0.00 55.69 54.63 3h1o s MET 11 Cb -0.04 0.26 -0.02 0.00 -1.53 0.00 0.00 34.83 33.50 3h1o s MET 11 CO 0.19 -0.16 -0.06 0.15 -2.03 0.00 0.00 175.02 173.11 3h1o s LYS 12 N -1.59 0.42 0.02 3.16 1.02 -0.55 -1.22 119.74 120.99 3h1o s LYS 12 Ca -0.12 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.32 3h1o s LYS 12 Cb -0.05 -0.22 -0.02 0.00 -0.52 0.00 0.00 37.83 37.03 3h1o s LYS 12 CO 0.02 0.04 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.29 3h1o s LEU 13 N -1.12 2.18 -0.08 3.17 0.20 -0.37 -1.13 118.68 121.52 3h1o s LEU 13 Ca -0.08 -0.38 0.01 0.00 0.69 0.00 0.00 54.13 54.38 3h1o s LEU 13 Cb -0.08 0.07 0.02 0.00 -0.43 0.00 0.00 46.19 45.77 3h1o s LEU 13 CO -0.00 -0.22 -0.09 -0.31 -0.29 0.00 0.00 176.35 175.43 3h1o s TYR 14 N -1.09 1.34 -0.03 5.38 2.02 -0.28 -1.61 117.35 123.07 3h1o s TYR 14 Ca -0.12 -0.54 0.03 0.00 -0.37 0.00 0.00 57.07 56.08 3h1o s TYR 14 Cb -0.08 -1.05 0.00 0.00 -0.40 0.00 0.00 41.96 40.44 3h1o s TYR 14 CO -0.01 -0.33 -0.12 1.41 -1.57 0.00 0.00 175.55 174.93 3h1o s MET 15 N 1.03 1.22 0.06 -0.62 -2.45 -0.05 -0.87 119.30 117.63 3h1o s MET 15 Ca -0.08 -0.41 0.03 0.00 -1.25 0.00 0.00 55.69 53.98 3h1o s MET 15 Cb -0.15 -1.11 -0.03 0.00 1.25 0.00 0.00 34.83 34.79 3h1o s MET 15 CO -0.00 0.16 -0.10 -2.00 1.05 0.00 0.00 175.02 174.13 3h1o s GLU 16 N 0.11 0.68 0.00 4.11 2.12 -0.75 -0.74 118.70 124.24 3h1o s GLU 16 Ca -0.03 -0.92 0.00 0.00 0.36 0.00 0.00 54.97 54.39 3h1o s GLU 16 Cb -0.09 -0.47 0.00 0.00 0.26 0.00 0.00 34.13 33.83 3h1o s GLU 16 CO 0.01 0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.23 3h1o n GLY 17 N 1.16 -1.17 2.82 -1.50 0.00 -0.70 -1.23 105.19 104.57 3h1o n GLY 17 Ca -0.21 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 3h1o n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h1o s THR 18 N -2.29 -0.03 -0.10 2.61 2.01 -0.81 -1.26 115.64 115.76 3h1o s THR 18 Ca 0.00 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.12 3h1o s THR 18 Cb 0.00 -0.05 0.02 0.00 0.01 0.00 0.00 72.50 72.48 3h1o s THR 18 CO 0.00 0.05 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.20 3h1o s VAL 19 N 0.60 1.06 -1.55 3.82 1.01 -0.72 0.12 120.40 124.74 3h1o s VAL 19 Ca -0.05 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 3h1o s VAL 19 Cb -0.07 -1.05 0.07 0.00 0.00 0.00 0.00 36.38 35.33 3h1o s VAL 19 CO -0.02 0.37 0.54 0.59 0.00 0.00 0.00 175.10 176.58 3h1o n ASN 20 N 4.67 -1.52 0.00 3.32 4.13 -0.06 -1.28 115.26 124.52 3h1o n ASN 20 Ca -0.15 -1.04 0.00 0.00 1.68 0.00 0.00 54.58 55.07 3h1o n ASN 20 Cb 0.50 -2.78 0.00 0.00 -1.54 0.00 0.00 39.78 35.97 3h1o n ASN 20 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3h1o n ASN 21 N -2.83 -1.08 -4.54 6.41 3.02 -1.26 -4.99 115.26 109.99 3h1o n ASN 21 Ca -0.14 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.01 3h1o n ASN 21 Cb 0.60 -0.58 -0.10 0.00 -0.61 0.00 0.00 39.78 39.09 3h1o n ASN 21 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3h1o s HIS 22 N -3.00 3.22 0.46 3.10 2.46 -0.41 -5.07 115.29 116.05 3h1o s HIS 22 Ca 0.00 -0.12 -0.19 0.00 0.47 0.00 0.00 55.06 55.22 3h1o s HIS 22 Cb 0.00 -2.56 -0.10 0.00 -0.13 0.00 0.00 32.58 29.80 3h1o s HIS 22 CO 0.00 -0.38 0.96 -1.58 -2.47 0.00 0.00 174.74 171.27 3h1o s HIS 23 N 1.85 3.36 0.10 3.88 2.46 -1.26 -1.76 115.29 123.92 3h1o s HIS 23 Ca 0.09 1.56 -0.26 0.00 0.47 0.00 0.00 55.06 56.92 3h1o s HIS 23 Cb -0.17 -2.83 0.08 0.00 -0.13 0.00 0.00 32.58 29.53 3h1o s HIS 23 CO 0.11 -0.20 0.79 -0.59 -2.47 0.00 0.00 174.74 172.38 3h1o s PHE 24 N -2.34 -0.36 -0.02 3.88 -0.12 -0.39 -4.37 117.98 114.26 3h1o s PHE 24 Ca 0.61 0.14 -0.05 0.00 -0.05 0.00 0.00 56.93 57.58 3h1o s PHE 24 Cb -0.09 0.58 0.00 0.00 -0.63 0.00 0.00 43.02 42.88 3h1o s PHE 24 CO 0.20 -0.76 0.10 0.15 -0.05 0.00 0.00 175.22 174.86 3h1o s LYS 25 N -3.43 0.27 0.16 1.99 1.02 -0.60 -1.72 119.74 117.43 3h1o s LYS 25 Ca 0.05 -0.11 0.06 0.00 0.02 0.00 0.00 55.97 55.99 3h1o s LYS 25 Cb -0.02 0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 3h1o s LYS 25 CO -0.07 -0.05 -0.13 0.00 -0.92 0.00 0.00 175.35 174.18 3h1o s THR 27 N -2.97 1.03 0.14 0.00 -4.23 -0.17 -0.87 115.64 108.57 3h1o s THR 27 Ca 0.18 -1.90 -0.11 0.00 -1.18 0.00 0.00 61.69 58.67 3h1o s THR 27 Cb -0.00 -1.66 0.00 0.00 1.34 0.00 0.00 72.50 72.18 3h1o s THR 27 CO 0.03 -0.70 0.30 -0.94 -0.54 0.00 0.00 174.62 172.78 3h1o s SER 28 N -2.91 -0.01 0.02 3.99 1.04 -0.63 -0.44 113.70 114.75 3h1o s SER 28 Ca 0.12 -0.68 -0.01 0.00 0.48 0.00 0.00 55.95 55.86 3h1o s SER 28 Cb 0.01 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 3h1o s SER 28 CO -0.00 -0.86 -0.00 -1.61 0.98 0.00 0.00 173.24 171.74 3h1o s GLU 29 N -3.90 0.33 0.10 4.02 0.41 -0.96 -1.24 118.70 117.44 3h1o s GLU 29 Ca 0.11 -0.56 -0.12 0.00 -0.41 0.00 0.00 54.97 53.99 3h1o s GLU 29 Cb 0.03 0.12 0.04 0.00 -1.78 0.00 0.00 34.13 32.54 3h1o s GLU 29 CO -0.05 -0.06 0.56 0.41 -0.49 0.00 0.00 175.26 175.63 3h1o n GLY 30 N 1.62 0.91 3.29 -1.39 0.00 -0.36 -0.87 105.19 108.40 3h1o n GLY 30 Ca -0.23 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 3h1o n GLY 30 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3h1o s GLU 31 N -2.03 1.02 0.24 1.61 1.03 -0.80 -1.47 118.70 118.30 3h1o s GLU 31 Ca 0.12 -0.82 -0.21 0.00 0.03 0.00 0.00 54.97 54.10 3h1o s GLU 31 Cb -0.01 0.43 0.06 0.00 -0.80 0.00 0.00 34.13 33.80 3h1o s GLU 31 CO 0.03 -0.38 0.92 0.20 -1.33 0.00 0.00 175.26 174.70 3h1o s GLY 32 N -2.83 0.07 -0.49 -3.83 0.00 -0.77 -0.53 107.32 98.94 3h1o s GLY 32 Ca 0.05 -0.33 0.02 0.00 0.00 0.00 0.00 44.72 44.45 3h1o s GLY 32 CO -0.11 0.80 0.25 0.54 0.00 0.00 0.00 173.10 174.58 3h1o s LYS 33 N -2.68 2.00 0.44 2.90 1.02 0.71 -2.01 119.74 122.13 3h1o s LYS 33 Ca 0.17 -2.37 0.19 0.00 0.02 0.00 0.00 55.97 53.98 3h1o s LYS 33 Cb -0.03 -3.41 1.14 0.00 -0.52 0.00 0.00 37.83 35.01 3h1o s LYS 33 CO 0.06 -1.08 1.89 -1.35 -0.92 0.00 0.00 175.35 173.95 3h1o h PRO 34 N 6.99 0.32 0.00 -1.68 0.11 -1.78 0.20 132.00 136.16 3h1o h PRO 34 Ca -0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3h1o h PRO 34 Cb 0.95 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3h1o h PRO 34 CO 0.66 0.21 -0.71 1.88 -0.21 0.00 0.00 178.00 179.83 3h1o h TYR 35 N 0.33 0.00 -0.01 0.65 -1.99 -1.85 -3.20 116.97 110.90 3h1o h TYR 35 Ca 0.42 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.15 3h1o h TYR 35 Cb 1.12 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.85 3h1o h TYR 35 CO -0.00 0.00 -0.47 0.39 -0.00 0.00 0.00 178.16 178.08 3h1o n GLU 36 N -2.16 0.99 -2.33 4.88 1.02 -0.10 -4.48 120.64 118.45 3h1o n GLU 36 Ca 0.03 -0.77 -0.09 0.00 -0.02 0.00 0.00 57.16 56.31 3h1o n GLU 36 Cb 0.45 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 3h1o n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h1o n GLY 37 N 1.41 0.06 3.19 0.62 0.00 -0.28 -4.59 105.19 105.60 3h1o n GLY 37 Ca 0.09 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 3h1o n GLY 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h1o s THR 38 N -2.59 1.39 0.07 2.61 -4.23 -1.15 -0.58 115.64 111.17 3h1o s THR 38 Ca 0.05 -1.03 -0.22 0.00 -1.18 0.00 0.00 61.69 59.32 3h1o s THR 38 Cb -0.02 -1.21 0.05 0.00 1.34 0.00 0.00 72.50 72.66 3h1o s THR 38 CO 0.06 0.16 0.51 0.00 -0.54 0.00 0.00 174.62 174.82 3h1o s GLN 39 N -1.01 1.07 -0.02 3.99 -2.07 -0.50 -0.21 119.66 120.91 3h1o s GLN 39 Ca 0.05 -0.33 0.04 0.00 -1.82 0.00 0.00 55.36 53.30 3h1o s GLN 39 Cb -0.08 0.49 -0.01 0.00 -1.09 0.00 0.00 33.01 32.32 3h1o s GLN 39 CO 0.01 -0.40 -0.12 0.99 -1.32 0.00 0.00 175.29 174.45 3h1o s THR 40 N -2.80 0.98 0.05 3.63 2.01 0.31 -1.16 115.64 118.66 3h1o s THR 40 Ca -0.03 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.52 3h1o s THR 40 Cb -0.00 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 3h1o s THR 40 CO -0.05 0.28 -0.20 -1.10 -0.69 0.00 0.00 174.62 172.87 3h1o s GLN 41 N -0.15 1.30 -0.24 4.92 -0.21 -0.35 -1.91 119.66 123.01 3h1o s GLN 41 Ca 0.02 -0.92 -0.02 0.00 0.02 0.00 0.00 55.36 54.46 3h1o s GLN 41 Cb -0.06 -1.40 0.02 0.00 1.00 0.00 0.00 33.01 32.57 3h1o s GLN 41 CO -0.00 0.35 -0.06 1.03 -2.12 0.00 0.00 175.29 174.50 3h1o s ARG 42 N -1.21 2.96 -0.07 2.91 0.52 -0.05 -1.63 118.95 122.38 3h1o s ARG 42 Ca 0.06 -0.90 0.02 0.00 -0.52 0.00 0.00 55.73 54.39 3h1o s ARG 42 Cb -0.09 -2.99 -0.02 0.00 0.52 0.00 0.00 34.95 32.37 3h1o s ARG 42 CO 0.02 -0.36 -0.12 0.42 0.02 0.00 0.00 175.30 175.28 3h1o s ILE 43 N 1.36 3.26 -0.08 1.52 1.01 0.13 -2.28 121.20 126.12 3h1o s ILE 43 Ca 0.02 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 60.07 3h1o s ILE 43 Cb -0.16 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.00 3h1o s ILE 43 CO -0.04 0.58 -0.22 -0.54 0.00 0.00 0.00 174.94 174.71 3h1o s LYS 44 N -0.50 2.69 -0.49 2.79 1.02 0.41 -1.17 119.74 124.50 3h1o s LYS 44 Ca 0.07 -0.79 -0.29 0.00 0.02 0.00 0.00 55.97 54.97 3h1o s LYS 44 Cb -0.12 -2.09 0.03 0.00 -0.52 0.00 0.00 37.83 35.13 3h1o s LYS 44 CO 0.02 0.19 1.14 0.08 -0.92 0.00 0.00 175.35 175.86 3h1o s VAL 45 N 0.30 4.19 -0.28 3.17 1.01 -0.07 -1.00 120.40 127.72 3h1o s VAL 45 Ca -0.15 1.20 0.22 0.00 0.00 0.00 0.00 61.98 63.25 3h1o s VAL 45 Cb -0.17 -4.62 -0.28 0.00 0.00 0.00 0.00 36.38 31.31 3h1o s VAL 45 CO 0.07 -1.04 0.63 1.33 0.00 0.00 0.00 175.10 176.10 3h1o n VAL 46 N 6.85 0.05 -3.86 2.92 0.24 -0.09 -4.74 118.33 119.69 3h1o n VAL 46 Ca 0.12 -0.38 -0.12 0.00 -2.04 0.00 0.00 64.34 61.92 3h1o n VAL 46 Cb 0.49 0.20 -0.12 0.00 -1.47 0.00 0.00 33.84 32.93 3h1o n VAL 46 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3h1o s GLU 47 N -3.38 0.18 0.00 7.34 2.02 -1.02 -4.89 118.70 118.95 3h1o s GLU 47 Ca -0.04 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 54.90 3h1o s GLU 47 Cb 0.14 0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.45 3h1o s GLU 47 CO 0.89 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 176.55 3h1o n GLY 48 N 2.61 0.72 3.87 -1.39 0.00 -1.26 -1.56 105.19 108.17 3h1o n GLY 48 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 3h1o n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h1o s GLY 49 N -1.90 2.07 0.41 -0.02 0.00 -1.26 -3.96 107.32 102.66 3h1o s GLY 49 Ca 0.00 -0.16 -0.23 0.00 0.00 0.00 0.00 44.72 44.32 3h1o s GLY 49 CO 0.00 0.02 1.02 -4.14 0.00 0.00 0.00 173.10 170.00 3h1o s PRO 50 N -3.50 4.17 0.36 2.90 0.02 -1.26 -5.10 135.00 132.59 3h1o s PRO 50 Ca 0.51 1.41 -0.27 0.00 0.02 0.00 0.00 61.00 62.68 3h1o s PRO 50 Cb -0.10 -2.46 -0.09 0.00 0.02 0.00 0.00 34.50 31.87 3h1o s PRO 50 CO 0.26 -0.12 1.21 -0.51 -0.33 0.00 0.00 177.00 177.52 3h1o s LEU 51 N -2.76 4.32 0.00 -5.54 1.43 -1.25 -4.90 118.68 109.97 3h1o s LEU 51 Ca 0.59 2.46 0.07 0.00 -1.03 0.00 0.00 54.13 56.22 3h1o s LEU 51 Cb -0.19 -3.84 0.44 0.00 0.03 0.00 0.00 46.19 42.62 3h1o s LEU 51 CO 0.24 -0.57 1.09 -0.81 0.23 0.00 0.00 176.35 176.53 3h1o n PRO 52 N 0.46 0.77 -4.14 1.29 -0.04 -1.26 -4.83 135.00 127.25 3h1o n PRO 52 Ca 0.02 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.39 3h1o n PRO 52 Cb 0.45 -1.15 -0.10 0.00 -0.04 0.00 0.00 33.50 32.66 3h1o n PRO 52 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3h1o s PHE 53 N -2.00 0.79 0.18 0.54 -0.12 -1.26 -4.72 117.98 111.40 3h1o s PHE 53 Ca 0.11 -1.12 -0.32 0.00 -0.05 0.00 0.00 56.93 55.55 3h1o s PHE 53 Cb 0.05 -0.48 -0.11 0.00 -0.63 0.00 0.00 43.02 41.85 3h1o s PHE 53 CO 0.08 -0.40 1.72 0.00 -0.05 0.00 0.00 175.22 176.58 3h1o s ALA 54 N -3.91 3.88 0.52 1.99 0.00 0.04 -4.86 121.76 119.41 3h1o s ALA 54 Ca 0.17 1.53 0.27 0.00 0.00 0.00 0.00 51.96 53.93 3h1o s ALA 54 Cb 0.07 -3.70 1.61 0.00 0.00 0.00 0.00 23.12 21.10 3h1o s ALA 54 CO -0.03 -0.97 2.17 0.35 0.00 0.00 0.00 175.76 177.28 3h1o h PHE 55 N 7.20 0.00 -1.02 0.00 3.57 -1.94 -2.86 116.94 121.89 3h1o h PHE 55 Ca -0.44 0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.33 3h1o h PHE 55 Cb 1.20 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.86 3h1o h PHE 55 CO 0.68 0.05 0.67 -0.44 -2.23 0.00 0.00 178.31 177.04 3h1o h ASP 56 N 0.00 0.40 0.63 0.41 3.32 -1.97 -0.30 116.42 118.91 3h1o h ASP 56 Ca -0.00 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3h1o h ASP 56 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3h1o h ASP 56 CO 0.01 0.09 0.00 2.30 -1.72 0.00 0.00 179.24 179.92 3h1o n ILE 57 N -4.56 0.88 0.51 0.35 -5.35 -1.08 -1.70 119.36 108.40 3h1o n ILE 57 Ca 0.24 0.28 0.11 0.00 -0.27 0.00 0.00 62.75 63.11 3h1o n ILE 57 Cb 0.87 -1.20 -0.07 0.00 -1.74 0.00 0.00 39.64 37.50 3h1o n ILE 57 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3h1o n LEU 58 N -2.16 0.55 -0.16 7.28 4.77 -0.13 -4.65 117.00 122.50 3h1o n LEU 58 Ca 0.02 -0.14 -0.02 0.00 -0.03 0.00 0.00 56.01 55.84 3h1o n LEU 58 Cb 0.20 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.31 3h1o n LEU 58 CO 0.18 0.08 0.88 0.00 -1.33 0.00 0.00 177.39 177.20 3h1o h ALA 59 N 2.50 0.52 0.00 -1.18 0.00 -1.19 -0.44 119.26 119.46 3h1o h ALA 59 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3h1o h ALA 59 Cb 0.75 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3h1o h ALA 59 CO 0.00 -0.35 0.00 0.25 0.00 0.00 0.00 179.25 179.15 3h1o n THR 60 N -5.17 0.09 0.34 0.00 -2.24 -1.26 -2.63 114.28 103.42 3h1o n THR 60 Ca 0.06 0.02 0.11 0.00 -2.27 0.00 0.00 64.05 61.97 3h1o n THR 60 Cb 0.26 -0.67 -0.00 0.00 -2.10 0.00 0.00 70.33 67.82 3h1o n THR 60 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3h1o n SER 61 N -1.08 0.60 -1.46 3.42 7.64 -0.18 -4.86 113.62 117.71 3h1o n SER 61 Ca 0.15 0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.04 3h1o n SER 61 Cb 0.10 0.82 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 3h1o n SER 61 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3h1o n PHE 62 N -2.23 0.00 0.00 1.43 3.01 -1.08 -4.98 117.46 113.60 3h1o n PHE 62 Ca 0.01 -0.91 0.00 0.00 1.01 0.00 0.00 57.45 57.55 3h1o n PHE 62 Cb 0.49 -0.46 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 3h1o n PHE 62 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3h1o n SER 66 N 1.40 0.00 0.00 4.37 2.88 -1.26 -5.11 113.62 115.90 3h1o n SER 66 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 3h1o n SER 66 Cb 0.48 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.52 3h1o n SER 66 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3h1o n HIS 67 N 0.00 0.00 0.26 0.66 8.25 -1.26 -2.21 115.22 120.91 3h1o n HIS 67 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.60 3h1o n HIS 67 Cb 0.00 -0.26 0.64 0.00 1.12 0.00 0.00 29.99 31.49 3h1o n HIS 67 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3h1o h THR 68 N 0.00 0.33 -1.96 1.59 2.02 -1.96 -3.25 112.91 109.68 3h1o h THR 68 Ca 0.00 -0.72 -0.76 0.00 0.77 0.00 0.00 66.41 65.70 3h1o h THR 68 Cb 0.19 1.54 -0.26 0.00 -1.74 0.00 0.00 68.15 67.88 3h1o h THR 68 CO 0.00 0.11 1.04 0.49 0.37 0.00 0.00 175.52 177.53 3h1o n PHE 69 N -3.32 2.86 -4.21 3.16 3.01 -0.94 -4.71 117.46 113.31 3h1o n PHE 69 Ca -0.00 -2.33 -0.34 0.00 1.01 0.00 0.00 57.45 55.78 3h1o n PHE 69 Cb 0.33 -1.21 -0.14 0.00 -0.01 0.00 0.00 39.48 38.45 3h1o n PHE 69 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3h1o s ILE 70 N -4.76 3.35 -0.52 4.37 1.01 -1.23 -3.96 121.20 119.46 3h1o s ILE 70 Ca 0.51 -0.52 -0.27 0.00 0.00 0.00 0.00 60.65 60.36 3h1o s ILE 70 Cb 0.40 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 3h1o s ILE 70 CO -0.37 0.46 1.74 0.21 0.00 0.00 0.00 174.94 176.98 3h1o s ASN 71 N 1.02 5.65 -0.52 3.58 2.47 -0.70 -4.65 114.94 121.79 3h1o s ASN 71 Ca 0.00 0.61 -0.26 0.00 0.42 0.00 0.00 52.86 53.63 3h1o s ASN 71 Cb -0.15 -2.53 0.03 0.00 -1.45 0.00 0.00 41.25 37.15 3h1o s ASN 71 CO -0.00 -2.03 1.03 -1.00 -3.72 0.00 0.00 177.10 171.38 3h1o s HIS 72 N 7.75 2.79 0.59 0.43 3.76 -1.26 -0.63 115.29 128.71 3h1o s HIS 72 Ca 0.67 0.34 0.06 0.00 -0.15 0.00 0.00 55.06 55.99 3h1o s HIS 72 Cb -0.15 -4.21 0.11 0.00 1.11 0.00 0.00 32.58 29.43 3h1o s HIS 72 CO 0.26 -1.32 0.82 0.25 -0.85 0.00 0.00 174.74 173.89 3h1o n THR 73 N 6.50 0.00 -2.32 1.30 -2.24 -0.93 -4.54 114.28 112.05 3h1o n THR 73 Ca 0.07 -1.69 -0.09 0.00 -2.27 0.00 0.00 64.05 60.06 3h1o n THR 73 Cb 0.48 -0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 68.03 3h1o n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h1o n GLN 74 N -2.38 -2.29 -1.21 -0.78 6.02 -1.26 -1.60 117.38 113.88 3h1o n GLN 74 Ca 0.15 0.45 -0.07 0.00 -0.01 0.00 0.00 57.00 57.52 3h1o n GLN 74 Cb 0.56 -4.98 -0.03 0.00 1.02 0.00 0.00 30.24 26.81 3h1o n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h1o n GLY 75 N -0.66 0.86 3.73 1.08 0.00 -1.26 -4.96 105.19 103.97 3h1o n GLY 75 Ca -0.11 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3h1o n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h1o s ILE 76 N -2.00 2.74 0.20 -0.61 1.01 -0.63 -4.95 121.20 116.96 3h1o s ILE 76 Ca 0.00 0.55 -0.33 0.00 0.00 0.00 0.00 60.65 60.88 3h1o s ILE 76 Cb 0.00 -3.36 -0.13 0.00 0.01 0.00 0.00 42.46 38.99 3h1o s ILE 76 CO 0.00 0.06 1.67 -2.65 0.00 0.00 0.00 174.94 174.02 3h1o n PRO 77 N 3.48 2.57 -2.97 2.79 -0.02 -1.26 -4.81 135.00 134.78 3h1o n PRO 77 Ca 0.11 0.93 -0.44 0.00 -2.02 0.00 0.00 63.50 62.08 3h1o n PRO 77 Cb 0.40 -2.74 -0.03 0.00 -0.02 0.00 0.00 33.50 31.10 3h1o n PRO 77 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3h1o s ASP 78 N 1.05 6.42 0.47 2.55 -1.08 -1.26 -4.72 116.67 120.10 3h1o s ASP 78 Ca 0.76 -1.68 0.15 0.00 -0.52 0.00 0.00 52.55 51.26 3h1o s ASP 78 Cb -0.56 -2.37 1.13 0.00 -1.46 0.00 0.00 42.92 39.66 3h1o s ASP 78 CO 0.35 -1.14 2.04 0.15 0.52 0.00 0.00 175.17 177.08 3h1o h PHE 79 N 9.03 0.25 0.01 -5.34 3.57 -1.91 -2.30 116.94 120.26 3h1o h PHE 79 Ca -0.06 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.27 3h1o h PHE 79 Cb 1.05 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 3h1o h PHE 79 CO 1.04 0.13 -0.99 -1.49 -2.23 0.00 0.00 178.31 174.77 3h1o h TRP 80 N 0.25 0.06 0.00 0.41 6.55 -1.90 -3.23 115.95 118.08 3h1o h TRP 80 Ca 0.18 -0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.98 3h1o h TRP 80 Cb 0.39 -0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.69 3h1o h TRP 80 CO -0.00 1.39 0.00 0.87 -1.05 0.00 0.00 178.44 179.65 3h1o h LYS 81 N -0.90 0.00 0.00 0.49 1.57 -1.87 -1.97 116.57 113.88 3h1o h LYS 81 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3h1o h LYS 81 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3h1o h LYS 81 CO -0.13 0.00 -0.45 1.96 -0.57 0.00 0.00 179.45 180.26 3h1o h GLN 82 N 0.00 0.00 0.00 3.15 4.20 -1.51 -3.32 115.11 117.63 3h1o h GLN 82 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h1o h GLN 82 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3h1o h GLN 82 CO 0.00 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 178.59 3h1o n SER 83 N -2.56 0.44 -4.85 1.46 7.64 -0.74 -4.82 113.62 110.20 3h1o n SER 83 Ca 0.03 0.57 -0.34 0.00 1.01 0.00 0.00 58.87 60.14 3h1o n SER 83 Cb 0.49 -0.68 -0.06 0.00 -1.01 0.00 0.00 64.21 62.96 3h1o n SER 83 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3h1o s PHE 84 N -3.12 3.51 -0.92 1.43 0.40 -1.25 -0.03 117.98 118.00 3h1o s PHE 84 Ca 0.09 1.14 0.28 0.00 -0.60 0.00 0.00 56.93 57.84 3h1o s PHE 84 Cb 0.12 -2.45 1.10 0.00 0.51 0.00 0.00 43.02 42.30 3h1o s PHE 84 CO 0.46 0.27 1.88 -0.35 0.70 0.00 0.00 175.22 178.18 3h1o n PRO 85 N 0.23 0.08 0.19 0.24 -0.04 -1.26 -4.85 135.00 129.59 3h1o n PRO 85 Ca -0.01 0.07 0.03 0.00 -0.04 0.00 0.00 63.50 63.55 3h1o n PRO 85 Cb 0.52 -1.60 0.36 0.00 -0.04 0.00 0.00 33.50 32.75 3h1o n PRO 85 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3h1o h GLU 86 N 0.00 0.00 0.00 0.54 3.07 -1.74 -3.39 114.58 113.06 3h1o h GLU 86 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3h1o h GLU 86 Cb 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3h1o h GLU 86 CO 0.00 0.37 0.00 0.41 -1.40 0.00 0.00 179.01 178.39 3h1o n GLY 87 N -0.43 -1.90 3.53 -3.84 0.00 0.96 -4.75 105.19 98.75 3h1o n GLY 87 Ca -0.02 -1.46 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 3h1o n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h1o s PHE 88 N 0.00 0.35 0.13 1.61 -0.71 -0.89 -1.23 117.98 117.24 3h1o s PHE 88 Ca 0.00 -0.70 0.06 0.00 -1.04 0.00 0.00 56.93 55.25 3h1o s PHE 88 Cb 0.00 0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.92 3h1o s PHE 88 CO 0.00 -0.93 -0.13 0.95 -1.34 0.00 0.00 175.22 173.77 3h1o s THR 89 N -4.00 1.29 0.06 -4.49 -4.23 -0.10 -0.08 115.64 104.09 3h1o s THR 89 Ca 0.21 -1.80 0.02 0.00 -1.18 0.00 0.00 61.69 58.93 3h1o s THR 89 Cb 0.00 -1.60 -0.03 0.00 1.34 0.00 0.00 72.50 72.21 3h1o s THR 89 CO 0.06 -0.50 -0.07 -1.66 -0.54 0.00 0.00 174.62 171.92 3h1o s TRP 90 N -2.43 0.68 -0.03 3.99 1.48 -0.55 -1.13 118.94 120.95 3h1o s TRP 90 Ca 0.11 -0.65 0.02 0.00 -1.06 0.00 0.00 56.10 54.52 3h1o s TRP 90 Cb -0.03 -0.41 0.01 0.00 -1.16 0.00 0.00 33.47 31.87 3h1o s TRP 90 CO 0.03 -0.13 -0.09 -2.00 -4.06 0.00 0.00 176.95 170.69 3h1o s GLU 91 N -2.33 1.06 -0.01 3.25 2.12 -0.53 -0.60 118.70 121.67 3h1o s GLU 91 Ca -0.04 -0.32 -0.02 0.00 0.36 0.00 0.00 54.97 54.96 3h1o s GLU 91 Cb -0.05 -0.97 0.00 0.00 0.26 0.00 0.00 34.13 33.37 3h1o s GLU 91 CO -0.02 0.10 0.05 0.50 -0.54 0.00 0.00 175.26 175.35 3h1o s ARG 92 N 0.28 0.15 -0.10 4.30 3.52 0.01 -0.19 118.95 126.91 3h1o s ARG 92 Ca -0.05 -0.09 0.03 0.00 -0.13 0.00 0.00 55.73 55.49 3h1o s ARG 92 Cb -0.10 0.06 0.01 0.00 -1.56 0.00 0.00 34.95 33.36 3h1o s ARG 92 CO 0.01 -0.03 -0.21 0.54 -0.81 0.00 0.00 175.30 174.81 3h1o s VAL 93 N -0.38 1.84 -0.15 7.11 0.11 -0.33 -1.31 120.40 127.29 3h1o s VAL 93 Ca -0.04 -0.88 0.01 0.00 -2.93 0.00 0.00 61.98 58.14 3h1o s VAL 93 Cb -0.03 -1.62 -0.00 0.00 -1.53 0.00 0.00 36.38 33.20 3h1o s VAL 93 CO 0.00 0.51 -0.16 -0.89 -3.33 0.00 0.00 175.10 171.23 3h1o s THR 94 N 0.57 2.59 -0.23 5.04 2.01 0.71 -1.57 115.64 124.76 3h1o s THR 94 Ca -0.14 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.07 3h1o s THR 94 Cb -0.17 -2.08 0.04 0.00 0.01 0.00 0.00 72.50 70.30 3h1o s THR 94 CO 0.05 0.52 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.48 3h1o s THR 95 N 0.74 2.26 0.33 -0.82 2.01 -0.29 -0.77 115.64 119.09 3h1o s THR 95 Ca -0.07 -1.31 -0.23 0.00 0.31 0.00 0.00 61.69 60.39 3h1o s THR 95 Cb -0.16 -2.18 -0.10 0.00 0.01 0.00 0.00 72.50 70.08 3h1o s THR 95 CO 0.01 0.19 0.89 -0.31 -0.69 0.00 0.00 174.62 174.72 3h1o s TYR 96 N 1.20 3.57 -0.87 4.92 1.51 0.45 -1.05 117.35 127.08 3h1o s TYR 96 Ca -0.03 1.64 0.21 0.00 -1.01 0.00 0.00 57.07 57.88 3h1o s TYR 96 Cb -0.17 -2.83 0.87 0.00 -0.11 0.00 0.00 41.96 39.72 3h1o s TYR 96 CO -0.08 0.15 1.67 0.39 -1.11 0.00 0.00 175.55 176.57 3h1o n GLU 97 N 0.25 0.07 -0.70 -0.62 1.02 0.15 -1.81 120.64 118.99 3h1o n GLU 97 Ca 0.03 0.21 0.09 0.00 -0.02 0.00 0.00 57.16 57.47 3h1o n GLU 97 Cb 0.51 -1.60 0.38 0.00 -0.02 0.00 0.00 31.44 30.71 3h1o n GLU 97 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3h1o n ASP 98 N -1.72 5.07 0.00 1.62 5.75 -1.26 -4.97 116.55 121.04 3h1o n ASP 98 Ca 0.04 -2.58 0.00 0.00 -0.01 0.00 0.00 54.79 52.25 3h1o n ASP 98 Cb 0.25 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 3h1o n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h1o n GLY 99 N 1.03 2.86 3.76 6.12 0.00 -0.75 -4.58 105.19 113.62 3h1o n GLY 99 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 3h1o n GLY 99 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h1o s GLY 100 N -2.52 2.91 -0.05 -0.02 0.00 -1.20 -4.64 107.32 101.80 3h1o s GLY 100 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 44.72 46.07 3h1o s GLY 100 CO 0.00 1.93 -0.02 0.14 0.00 0.00 0.00 173.10 175.16 3h1o s VAL 101 N -1.25 0.39 -0.15 1.40 1.01 -0.54 -0.41 120.40 120.84 3h1o s VAL 101 Ca 0.61 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.62 3h1o s VAL 101 Cb -0.41 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.51 3h1o s VAL 101 CO 0.52 0.22 -0.17 -0.22 0.00 0.00 0.00 175.10 175.44 3h1o s LEU 102 N 1.29 1.90 -0.08 3.92 0.20 0.05 -1.11 118.68 124.84 3h1o s LEU 102 Ca -0.06 -0.55 -0.02 0.00 0.69 0.00 0.00 54.13 54.19 3h1o s LEU 102 Cb -0.13 -1.31 -0.03 0.00 -0.43 0.00 0.00 46.19 44.29 3h1o s LEU 102 CO -0.02 -0.01 0.02 0.42 -0.29 0.00 0.00 176.35 176.47 3h1o s THR 103 N 1.25 4.42 0.00 3.68 -4.23 -0.34 -0.21 115.64 120.22 3h1o s THR 103 Ca 0.02 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 3h1o s THR 103 Cb -0.14 -2.87 -0.00 0.00 1.34 0.00 0.00 72.50 70.83 3h1o s THR 103 CO -0.09 0.59 -0.02 0.00 -0.54 0.00 0.00 174.62 174.57 3h1o s ALA 104 N -0.91 0.12 0.01 3.99 0.00 -0.43 -1.02 121.76 123.52 3h1o s ALA 104 Ca 0.14 -0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.08 3h1o s ALA 104 Cb -0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 3h1o s ALA 104 CO 0.03 0.02 -0.22 0.95 0.00 0.00 0.00 175.76 176.54 3h1o s THR 105 N -0.10 1.73 -0.00 0.00 -4.23 -0.52 -0.81 115.64 111.70 3h1o s THR 105 Ca -0.00 -1.06 -0.01 0.00 -1.18 0.00 0.00 61.69 59.44 3h1o s THR 105 Cb -0.01 -1.47 -0.00 0.00 1.34 0.00 0.00 72.50 72.36 3h1o s THR 105 CO -0.00 0.38 0.01 -1.58 -0.54 0.00 0.00 174.62 172.89 3h1o s GLN 106 N -0.81 0.11 -0.08 3.99 -0.44 0.24 -0.94 119.66 121.72 3h1o s GLN 106 Ca 0.08 -0.14 0.04 0.00 -2.50 0.00 0.00 55.36 52.85 3h1o s GLN 106 Cb -0.09 0.04 0.00 0.00 -1.64 0.00 0.00 33.01 31.33 3h1o s GLN 106 CO 0.00 -0.02 -0.20 0.34 0.50 0.00 0.00 175.29 175.91 3h1o s ASP 107 N -0.39 2.63 -0.16 6.67 -1.08 -0.22 -1.48 116.67 122.65 3h1o s ASP 107 Ca -0.04 -0.46 -0.00 0.00 -0.52 0.00 0.00 52.55 51.52 3h1o s ASP 107 Cb -0.03 -1.08 -0.00 0.00 -1.46 0.00 0.00 42.92 40.35 3h1o s ASP 107 CO -0.00 0.14 -0.14 -0.89 0.52 0.00 0.00 175.17 174.80 3h1o s THR 108 N 0.31 2.80 0.25 1.71 2.01 0.88 -1.43 115.64 122.17 3h1o s THR 108 Ca -0.14 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.17 3h1o s THR 108 Cb -0.16 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 3h1o s THR 108 CO 0.06 0.51 0.03 -0.94 -0.69 0.00 0.00 174.62 173.59 3h1o s SER 109 N 0.81 1.75 -0.15 3.53 1.04 -0.07 -2.09 113.70 118.53 3h1o s SER 109 Ca -0.05 -1.28 -0.00 0.00 0.48 0.00 0.00 55.95 55.10 3h1o s SER 109 Cb -0.15 0.03 -0.01 0.00 0.10 0.00 0.00 66.02 65.99 3h1o s SER 109 CO 0.00 -0.58 -0.13 -0.22 0.98 0.00 0.00 173.24 173.29 3h1o s LEU 110 N -3.33 2.65 -0.16 2.42 2.96 -1.26 0.11 118.68 122.07 3h1o s LEU 110 Ca 0.32 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.80 3h1o s LEU 110 Cb 0.07 -1.61 0.08 0.00 0.50 0.00 0.00 46.19 45.23 3h1o s LEU 110 CO 0.11 0.12 0.23 -1.10 -1.32 0.00 0.00 176.35 174.39 3h1o s GLN 111 N 0.62 0.16 -1.62 1.98 -0.21 -0.37 -4.87 119.66 115.34 3h1o s GLN 111 Ca -0.07 0.49 -0.02 0.00 0.02 0.00 0.00 55.36 55.77 3h1o s GLN 111 Cb -0.16 -0.57 0.00 0.00 1.00 0.00 0.00 33.01 33.29 3h1o s GLN 111 CO 0.03 -0.45 0.28 -0.25 -2.12 0.00 0.00 175.29 172.77 3h1o n ASP 112 N 5.33 -5.86 -0.22 5.90 8.00 -1.26 -1.68 116.55 126.76 3h1o n ASP 112 Ca -0.05 -0.14 -0.03 0.00 0.71 0.00 0.00 54.79 55.28 3h1o n ASP 112 Cb 0.50 -4.79 -0.01 0.00 -0.02 0.00 0.00 41.12 36.80 3h1o n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h1o n GLY 113 N -1.25 0.61 3.04 0.44 0.00 -1.26 -5.01 105.19 101.75 3h1o n GLY 113 Ca -0.18 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 3h1o n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1o s LEU 115 N 1.01 4.42 -0.14 0.00 1.43 -0.40 -1.24 118.68 123.75 3h1o s LEU 115 Ca -0.07 2.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 3h1o s LEU 115 Cb -0.15 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.46 3h1o s LEU 115 CO -0.01 -0.55 -0.14 -0.63 0.23 0.00 0.00 176.35 175.24 3h1o s ILE 116 N -0.48 1.58 -0.13 -0.59 -1.09 0.12 -1.48 121.20 119.12 3h1o s ILE 116 Ca 0.54 -0.64 -0.03 0.00 -2.23 0.00 0.00 60.65 58.28 3h1o s ILE 116 Cb -0.39 -1.47 -0.03 0.00 -1.58 0.00 0.00 42.46 38.99 3h1o s ILE 116 CO 0.45 0.46 -0.02 -0.31 -1.23 0.00 0.00 174.94 174.30 3h1o s TYR 117 N 1.43 3.09 -0.14 3.97 2.02 -0.29 -0.89 117.35 126.54 3h1o s TYR 117 Ca 0.04 -0.06 0.01 0.00 -0.37 0.00 0.00 57.07 56.69 3h1o s TYR 117 Cb -0.13 -1.89 0.02 0.00 -0.40 0.00 0.00 41.96 39.56 3h1o s TYR 117 CO -0.10 0.19 -0.16 1.21 -1.57 0.00 0.00 175.55 175.12 3h1o s ASN 118 N -0.16 2.70 -0.03 2.29 2.47 -0.52 -1.13 114.94 120.57 3h1o s ASN 118 Ca 0.04 -0.50 0.06 0.00 0.42 0.00 0.00 52.86 52.88 3h1o s ASN 118 Cb -0.13 -1.21 -0.01 0.00 -1.45 0.00 0.00 41.25 38.45 3h1o s ASN 118 CO 0.02 -0.02 -0.20 -0.69 -3.72 0.00 0.00 177.10 172.49 3h1o s VAL 119 N 1.26 1.64 -0.03 -5.21 1.01 -0.05 -1.06 120.40 117.97 3h1o s VAL 119 Ca 0.01 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.19 3h1o s VAL 119 Cb -0.14 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 3h1o s VAL 119 CO -0.08 0.47 -0.23 -0.54 0.00 0.00 0.00 175.10 174.71 3h1o s LYS 120 N -0.28 2.07 -0.01 2.72 1.02 -0.12 -1.81 119.74 123.34 3h1o s LYS 120 Ca 0.03 -0.84 0.05 0.00 0.02 0.00 0.00 55.97 55.22 3h1o s LYS 120 Cb -0.10 -1.91 -0.01 0.00 -0.52 0.00 0.00 37.83 35.29 3h1o s LYS 120 CO 0.01 0.45 -0.15 0.42 -0.92 0.00 0.00 175.35 175.16 3h1o s ILE 121 N -0.40 1.18 -0.07 2.17 -1.09 -0.36 -1.44 121.20 121.18 3h1o s ILE 121 Ca 0.05 -0.64 -0.03 0.00 -2.23 0.00 0.00 60.65 57.80 3h1o s ILE 121 Cb -0.11 -0.98 0.04 0.00 -1.58 0.00 0.00 42.46 39.83 3h1o s ILE 121 CO 0.01 0.33 0.09 -0.60 -1.23 0.00 0.00 174.94 173.54 3h1o s ARG 122 N -0.35 -0.03 -0.04 2.79 3.52 -0.19 -1.92 118.95 122.73 3h1o s ARG 122 Ca 0.06 0.39 0.06 0.00 -0.13 0.00 0.00 55.73 56.11 3h1o s ARG 122 Cb -0.06 -0.57 -0.02 0.00 -1.56 0.00 0.00 34.95 32.74 3h1o s ARG 122 CO -0.01 -0.36 -0.23 0.20 -0.81 0.00 0.00 175.30 174.10 3h1o s GLY 123 N 2.21 1.35 0.05 8.12 0.00 0.12 -1.20 107.32 117.97 3h1o s GLY 123 Ca 0.04 -1.06 -0.03 0.00 0.00 0.00 0.00 44.72 43.67 3h1o s GLY 123 CO -0.04 -0.81 0.03 -1.34 0.00 0.00 0.00 173.10 170.94 3h1o s VAL 124 N -0.51 0.18 -1.82 1.40 -7.23 -0.27 -0.88 120.40 111.27 3h1o s VAL 124 Ca 0.07 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 3h1o s VAL 124 Cb -0.11 -1.26 0.00 0.00 0.56 0.00 0.00 36.38 35.57 3h1o s VAL 124 CO 0.01 -0.83 0.00 -3.20 -0.31 0.00 0.00 175.10 170.77 3h1o n ASN 125 N 0.34 -5.23 -4.67 4.85 5.15 -1.26 -1.47 115.26 112.97 3h1o n ASN 125 Ca -0.16 0.31 -0.42 0.00 -0.60 0.00 0.00 54.58 53.71 3h1o n ASN 125 Cb 0.60 -4.32 -0.03 0.00 -0.53 0.00 0.00 39.78 35.51 3h1o n ASN 125 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3h1o s PHE 126 N -2.75 2.45 0.16 1.20 0.08 -1.26 -3.23 117.98 114.64 3h1o s PHE 126 Ca 0.00 0.54 -0.32 0.00 0.12 0.00 0.00 56.93 57.27 3h1o s PHE 126 Cb 0.00 -3.78 -0.11 0.00 -0.57 0.00 0.00 43.02 38.57 3h1o s PHE 126 CO 0.00 -3.06 1.70 -1.25 -0.10 0.00 0.00 175.22 172.50 3h1o s PRO 127 N 3.24 4.16 0.56 0.24 0.04 -1.26 -4.88 135.00 137.11 3h1o s PRO 127 Ca 0.67 2.51 0.30 0.00 0.04 0.00 0.00 61.00 64.52 3h1o s PRO 127 Cb -0.32 -3.26 1.69 0.00 0.04 0.00 0.00 34.50 32.66 3h1o s PRO 127 CO 0.27 -0.73 2.17 0.66 0.04 0.00 0.00 177.00 179.41 3h1o h SER 128 N 7.34 0.00 -0.69 6.66 4.64 -1.98 0.88 113.55 130.41 3h1o h SER 128 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3h1o h SER 128 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3h1o h SER 128 CO 0.94 0.06 0.00 0.59 -0.87 0.00 0.00 176.83 177.55 3h1o n ASN 129 N -3.66 3.96 -4.66 4.97 5.03 -1.26 -4.43 115.26 115.21 3h1o n ASN 129 Ca -0.02 -2.06 -0.28 0.00 0.87 0.00 0.00 54.58 53.09 3h1o n ASN 129 Cb 0.16 -0.48 0.12 0.00 -1.02 0.00 0.00 39.78 38.56 3h1o n ASN 129 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3h1o s GLY 130 N -1.00 1.68 0.43 7.41 0.00 0.30 -4.85 107.32 111.30 3h1o s GLY 130 Ca 0.47 -0.96 0.22 0.00 0.00 0.00 0.00 44.72 44.45 3h1o s GLY 130 CO 0.31 -0.40 1.83 -0.56 0.00 0.00 0.00 173.10 174.28 3h1o h PRO 131 N -1.09 0.00 0.22 2.90 0.13 -1.92 -0.86 132.00 131.38 3h1o h PRO 131 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 3h1o h PRO 131 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3h1o h PRO 131 CO 0.54 0.27 -0.11 0.28 -0.23 0.00 0.00 178.00 178.75 3h1o h VAL 132 N 0.00 0.85 0.00 1.56 2.07 -1.92 0.14 116.25 118.95 3h1o h VAL 132 Ca -0.00 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 3h1o h VAL 132 Cb 0.73 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3h1o h VAL 132 CO 0.03 0.14 -0.37 0.24 0.02 0.00 0.00 177.57 177.63 3h1o h MET 133 N -0.64 0.00 -0.01 1.57 2.86 -1.75 0.24 114.93 117.20 3h1o h MET 133 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3h1o h MET 133 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3h1o h MET 133 CO 0.05 0.37 -0.16 1.04 1.06 0.00 0.00 176.91 179.27 3h1o n GLN 134 N -3.53 0.96 -3.55 1.72 1.13 -0.33 -4.68 117.38 109.09 3h1o n GLN 134 Ca -0.00 -0.50 -0.19 0.00 -1.94 0.00 0.00 57.00 54.37 3h1o n GLN 134 Cb 0.51 -1.49 0.06 0.00 0.11 0.00 0.00 30.24 29.43 3h1o n GLN 134 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3h1o n LYS 135 N -0.59 -5.20 -1.31 -1.09 5.02 -0.08 -4.93 118.16 109.99 3h1o n LYS 135 Ca 0.14 0.73 -0.16 0.00 -2.02 0.00 0.00 58.31 57.01 3h1o n LYS 135 Cb 0.32 -5.46 0.12 0.00 -0.02 0.00 0.00 35.03 29.99 3h1o n LYS 135 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3h1o n LYS 136 N -4.12 2.57 -4.04 1.97 4.76 0.29 -5.00 118.16 114.59 3h1o n LYS 136 Ca -0.27 -3.56 -0.25 0.00 -2.87 0.00 0.00 58.31 51.37 3h1o n LYS 136 Cb 0.67 -2.04 -0.04 0.00 -1.84 0.00 0.00 35.03 31.77 3h1o n LYS 136 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3h1o s THR 137 N -3.97 4.77 -0.29 -0.18 -4.23 -1.26 -0.90 115.64 109.58 3h1o s THR 137 Ca 0.50 -1.05 0.19 0.00 -1.18 0.00 0.00 61.69 60.15 3h1o s THR 137 Cb 0.42 -3.49 0.49 0.00 1.34 0.00 0.00 72.50 71.26 3h1o s THR 137 CO 0.01 -0.18 1.08 0.18 -0.54 0.00 0.00 174.62 175.16 3h1o n LEU 138 N -0.70 2.09 0.00 4.79 4.77 0.77 -4.78 117.00 123.93 3h1o n LEU 138 Ca -0.08 -3.51 0.00 0.00 -0.03 0.00 0.00 56.01 52.39 3h1o n LEU 138 Cb 0.55 0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 3h1o n LEU 138 CO 0.45 1.36 0.00 0.61 -1.33 0.00 0.00 177.39 178.47 3h1o n GLY 139 N -0.47 -0.97 3.88 -0.72 0.00 -1.26 -4.65 105.19 101.01 3h1o n GLY 139 Ca 0.13 -1.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 3h1o n GLY 139 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h1o s TRP 140 N -1.74 3.60 0.80 1.61 0.52 -1.26 -0.88 118.94 121.59 3h1o s TRP 140 Ca 0.00 0.56 -0.11 0.00 0.02 0.00 0.00 56.10 56.57 3h1o s TRP 140 Cb 0.00 -1.97 0.07 0.00 -1.15 0.00 0.00 33.47 30.42 3h1o s TRP 140 CO 0.00 0.69 1.09 -1.21 0.02 0.00 0.00 176.95 177.53 3h1o s GLU 141 N -1.35 2.05 0.80 4.98 0.41 -0.40 -4.80 118.70 120.39 3h1o s GLU 141 Ca 0.21 0.93 -0.13 0.00 -0.41 0.00 0.00 54.97 55.56 3h1o s GLU 141 Cb -0.13 -1.89 0.08 0.00 -1.78 0.00 0.00 34.13 30.41 3h1o s GLU 141 CO 0.10 -1.72 1.20 0.00 -0.49 0.00 0.00 175.26 174.35 3h1o s ALA 142 N -2.98 1.88 0.10 5.21 0.00 -1.26 -4.75 121.76 119.95 3h1o s ALA 142 Ca 0.61 0.83 -0.14 0.00 0.00 0.00 0.00 51.96 53.26 3h1o s ALA 142 Cb -0.16 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.50 3h1o s ALA 142 CO 0.56 -2.23 0.34 -3.38 0.00 0.00 0.00 175.76 171.04 3h1o s HIS 143 N -2.15 -0.11 -0.08 0.00 -3.43 -0.79 -4.85 115.29 103.88 3h1o s HIS 143 Ca 0.73 -0.18 0.03 0.00 -0.80 0.00 0.00 55.06 54.84 3h1o s HIS 143 Cb -0.28 0.16 -0.02 0.00 -1.43 0.00 0.00 32.58 31.01 3h1o s HIS 143 CO 0.50 -0.63 -0.18 0.99 -2.00 0.00 0.00 174.74 173.42 3h1o s THR 144 N -3.52 2.66 -0.11 -5.38 2.01 -1.26 -0.63 115.64 109.40 3h1o s THR 144 Ca 0.02 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.16 3h1o s THR 144 Cb 0.02 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 3h1o s THR 144 CO -0.10 0.56 -0.04 -0.70 -0.69 0.00 0.00 174.62 173.66 3h1o s GLU 145 N -0.11 3.21 -0.19 4.92 2.12 0.03 -4.47 118.70 124.21 3h1o s GLU 145 Ca -0.03 -0.50 -0.11 0.00 0.36 0.00 0.00 54.97 54.69 3h1o s GLU 145 Cb -0.14 -2.78 -0.05 0.00 0.26 0.00 0.00 34.13 31.42 3h1o s GLU 145 CO 0.04 0.49 0.18 1.41 -0.54 0.00 0.00 175.26 176.85 3h1o s MET 146 N -0.33 4.20 -0.03 4.30 -2.45 -0.21 -1.02 119.30 123.76 3h1o s MET 146 Ca 0.06 -0.13 0.07 0.00 -1.25 0.00 0.00 55.69 54.44 3h1o s MET 146 Cb -0.12 -3.44 -0.02 0.00 1.25 0.00 0.00 34.83 32.50 3h1o s MET 146 CO 0.02 0.25 -0.23 -0.51 1.05 0.00 0.00 175.02 175.60 3h1o s LEU 147 N 0.49 2.20 -0.09 4.11 1.43 0.32 -1.42 118.68 125.71 3h1o s LEU 147 Ca 0.11 -0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 52.69 3h1o s LEU 147 Cb -0.12 -1.39 0.03 0.00 0.03 0.00 0.00 46.19 44.74 3h1o s LEU 147 CO 0.00 0.32 0.27 -0.72 0.23 0.00 0.00 176.35 176.46 3h1o s TYR 148 N -0.62 -0.28 0.45 0.29 1.13 -0.76 -1.29 117.35 116.26 3h1o s TYR 148 Ca 0.10 0.67 -0.24 0.00 -1.41 0.00 0.00 57.07 56.19 3h1o s TYR 148 Cb -0.10 0.10 -0.08 0.00 -1.10 0.00 0.00 41.96 40.78 3h1o s TYR 148 CO -0.01 -0.17 1.28 -2.14 -2.51 0.00 0.00 175.55 172.00 3h1o s PRO 149 N -0.03 3.75 -0.30 -3.49 0.02 -1.26 -1.50 135.00 132.19 3h1o s PRO 149 Ca -0.02 2.07 -0.13 0.00 0.02 0.00 0.00 61.00 62.94 3h1o s PRO 149 Cb -0.02 -2.56 0.14 0.00 0.02 0.00 0.00 34.50 32.07 3h1o s PRO 149 CO 0.01 -0.65 0.84 0.00 -0.33 0.00 0.00 177.00 176.87 3h1o s ALA 150 N -1.35 -2.34 -1.44 -1.55 0.00 -1.08 -4.85 121.76 109.16 3h1o s ALA 150 Ca 0.62 2.22 -0.02 0.00 0.00 0.00 0.00 51.96 54.77 3h1o s ALA 150 Cb -0.36 -1.85 0.02 0.00 0.00 0.00 0.00 23.12 20.93 3h1o s ALA 150 CO 0.45 -0.81 0.44 -0.25 0.00 0.00 0.00 175.76 175.60 3h1o n ASP 151 N 4.90 -0.62 0.00 0.00 8.00 -1.26 -0.71 116.55 126.86 3h1o n ASP 151 Ca -0.12 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.36 3h1o n ASP 151 Cb 0.53 -2.98 0.00 0.00 -0.02 0.00 0.00 41.12 38.65 3h1o n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h1o n GLY 152 N -1.95 1.51 0.00 0.44 0.00 -1.26 -4.94 105.19 98.99 3h1o n GLY 152 Ca -0.27 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3h1o n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1o n GLY 153 N 0.00 1.01 2.94 -0.02 0.00 0.11 -4.84 105.19 104.39 3h1o n GLY 153 Ca 0.00 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.22 3h1o n GLY 153 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h1o s LEU 154 N 0.00 0.70 -0.05 0.99 2.96 0.65 -2.62 118.68 121.31 3h1o s LEU 154 Ca 0.00 0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 54.21 3h1o s LEU 154 Cb 0.00 0.40 -0.04 0.00 0.50 0.00 0.00 46.19 47.05 3h1o s LEU 154 CO 0.00 -0.15 0.09 -1.61 -1.32 0.00 0.00 176.35 173.37 3h1o s GLU 155 N 1.16 3.19 0.01 1.98 0.41 -0.56 0.23 118.70 125.11 3h1o s GLU 155 Ca -0.09 -0.37 0.06 0.00 -0.41 0.00 0.00 54.97 54.16 3h1o s GLU 155 Cb -0.11 -2.95 -0.02 0.00 -1.78 0.00 0.00 34.13 29.26 3h1o s GLU 155 CO -0.06 0.69 -0.19 0.20 -0.49 0.00 0.00 175.26 175.41 3h1o s GLY 156 N -1.45 0.97 -0.02 -1.39 0.00 -0.70 -1.84 107.32 102.89 3h1o s GLY 156 Ca 0.20 -0.89 0.02 0.00 0.00 0.00 0.00 44.72 44.04 3h1o s GLY 156 CO 0.10 -0.80 -0.06 0.50 0.00 0.00 0.00 173.10 172.85 3h1o s ARG 157 N -0.79 0.63 0.05 2.90 1.81 -0.51 -1.59 118.95 121.45 3h1o s ARG 157 Ca 0.07 -0.18 -0.20 0.00 -1.72 0.00 0.00 55.73 53.69 3h1o s ARG 157 Cb -0.08 -0.63 0.04 0.00 -0.45 0.00 0.00 34.95 33.84 3h1o s ARG 157 CO 0.00 0.06 0.47 0.00 -0.68 0.00 0.00 175.30 175.15 3h1o s ALA 158 N 0.25 -1.17 -0.11 2.13 0.00 -0.96 -1.04 121.76 120.84 3h1o s ALA 158 Ca -0.03 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.40 3h1o s ALA 158 Cb -0.07 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.45 3h1o s ALA 158 CO -0.00 -0.50 -0.23 -0.51 0.00 0.00 0.00 175.76 174.52 3h1o s ASP 159 N -2.05 3.15 0.16 0.00 1.01 -1.26 -0.15 116.67 117.53 3h1o s ASP 159 Ca -0.05 -0.56 0.11 0.00 0.71 0.00 0.00 52.55 52.76 3h1o s ASP 159 Cb -0.01 -1.43 -0.04 0.00 1.01 0.00 0.00 42.92 42.45 3h1o s ASP 159 CO -0.03 0.14 -0.25 -0.76 0.21 0.00 0.00 175.17 174.48 3h1o s LEU 160 N 0.47 2.38 -0.18 1.23 1.02 0.04 -4.72 118.68 118.92 3h1o s LEU 160 Ca -0.15 -0.81 0.00 0.00 0.02 0.00 0.00 54.13 53.19 3h1o s LEU 160 Cb -0.17 -1.16 0.02 0.00 0.02 0.00 0.00 46.19 44.89 3h1o s LEU 160 CO 0.06 0.14 -0.18 0.00 0.02 0.00 0.00 176.35 176.38 3h1o s ALA 161 N -1.42 2.39 -0.26 4.21 0.00 -1.26 -1.43 121.76 123.99 3h1o s ALA 161 Ca 0.17 -1.20 -0.19 0.00 0.00 0.00 0.00 51.96 50.74 3h1o s ALA 161 Cb -0.09 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 3h1o s ALA 161 CO 0.08 -0.34 0.58 -1.17 0.00 0.00 0.00 175.76 174.91 3h1o s LEU 162 N 1.28 4.06 0.42 0.00 2.96 0.15 -1.27 118.68 126.28 3h1o s LEU 162 Ca 0.04 0.62 -0.25 0.00 -0.22 0.00 0.00 54.13 54.32 3h1o s LEU 162 Cb -0.13 -2.77 -0.08 0.00 0.50 0.00 0.00 46.19 43.71 3h1o s LEU 162 CO -0.11 -0.33 1.29 -0.54 -1.32 0.00 0.00 176.35 175.34 3h1o s LYS 163 N 2.42 3.90 0.12 1.98 1.02 -0.06 -1.11 119.74 128.01 3h1o s LYS 163 Ca 0.24 2.12 0.10 0.00 0.02 0.00 0.00 55.97 58.45 3h1o s LYS 163 Cb -0.16 -2.70 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 3h1o s LYS 163 CO 0.09 -0.54 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.24 3h1o s LEU 164 N -2.55 2.47 0.11 3.17 1.43 -0.76 -0.17 118.68 122.38 3h1o s LEU 164 Ca 0.58 -0.67 -0.34 0.00 -1.03 0.00 0.00 54.13 52.68 3h1o s LEU 164 Cb -0.37 -1.35 -0.13 0.00 0.03 0.00 0.00 46.19 44.37 3h1o s LEU 164 CO 0.47 0.18 1.68 0.52 0.23 0.00 0.00 176.35 179.44 3h1o n VAL 165 N 0.89 0.17 0.00 -1.59 0.31 -0.08 -1.26 118.33 116.77 3h1o n VAL 165 Ca -0.17 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3h1o n VAL 165 Cb 0.53 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 3h1o n VAL 165 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h1o n GLY 166 N 3.75 2.96 0.00 2.92 0.00 -1.26 -4.66 105.19 108.89 3h1o n GLY 166 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3h1o n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1o n GLY 167 N -1.17 0.65 1.20 -0.02 0.00 -0.39 -5.09 105.19 100.37 3h1o n GLY 167 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3h1o n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1o n GLY 168 N -1.54 -1.68 3.06 -0.02 0.00 -1.26 -4.80 105.19 98.95 3h1o n GLY 168 Ca 0.00 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 3h1o n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h1o s HIS 169 N -1.84 0.63 -0.15 1.61 0.09 -1.26 -1.82 115.29 112.55 3h1o s HIS 169 Ca 0.24 -0.52 -0.02 0.00 -0.00 0.00 0.00 55.06 54.76 3h1o s HIS 169 Cb -0.01 -0.38 -0.02 0.00 -0.00 0.00 0.00 32.58 32.17 3h1o s HIS 169 CO 0.17 -0.10 -0.09 -1.17 -0.00 0.00 0.00 174.74 173.56 3h1o s LEU 170 N -1.61 2.93 0.01 0.89 2.96 -0.27 -4.93 118.68 118.67 3h1o s LEU 170 Ca -0.10 -0.26 -0.09 0.00 -0.22 0.00 0.00 54.13 53.46 3h1o s LEU 170 Cb -0.10 -1.69 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 3h1o s LEU 170 CO 0.00 0.14 0.31 -0.63 -1.32 0.00 0.00 176.35 174.86 3h1o s ILE 171 N 0.49 5.23 0.05 6.68 -1.09 -1.26 -0.68 121.20 130.61 3h1o s ILE 171 Ca -0.06 0.36 0.01 0.00 -2.23 0.00 0.00 60.65 58.73 3h1o s ILE 171 Cb -0.15 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 3h1o s ILE 171 CO 0.04 0.41 -0.05 0.00 -1.23 0.00 0.00 174.94 174.11 3h1o s ASN 173 N -2.03 4.73 -0.20 0.00 3.84 -0.22 -0.78 114.94 120.28 3h1o s ASN 173 Ca -0.05 -0.07 -0.06 0.00 0.21 0.00 0.00 52.86 52.89 3h1o s ASN 173 Cb -0.04 -1.49 -0.03 0.00 -0.55 0.00 0.00 41.25 39.14 3h1o s ASN 173 CO -0.03 0.27 0.03 -0.36 -2.79 0.00 0.00 177.10 174.22 3h1o s PHE 174 N -0.25 3.12 -0.17 0.43 0.40 0.79 -1.14 117.98 121.16 3h1o s PHE 174 Ca 0.04 -0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.15 3h1o s PHE 174 Cb -0.13 -2.09 0.02 0.00 0.51 0.00 0.00 43.02 41.34 3h1o s PHE 174 CO 0.02 -0.09 -0.18 0.15 0.70 0.00 0.00 175.22 175.83 3h1o s LYS 175 N 0.78 2.73 0.10 0.44 1.02 -0.61 -2.28 119.74 121.93 3h1o s LYS 175 Ca 0.02 -0.76 0.08 0.00 0.02 0.00 0.00 55.97 55.32 3h1o s LYS 175 Cb -0.14 -2.43 -0.03 0.00 -0.52 0.00 0.00 37.83 34.70 3h1o s LYS 175 CO 0.02 -0.24 -0.20 0.99 -0.92 0.00 0.00 175.35 175.01 3h1o s THR 176 N 1.35 1.63 -0.13 2.17 2.01 -0.62 -1.19 115.64 120.86 3h1o s THR 176 Ca 0.04 -1.50 0.00 0.00 0.31 0.00 0.00 61.69 60.55 3h1o s THR 176 Cb -0.13 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 70.91 3h1o s THR 176 CO -0.12 -0.07 -0.12 -0.89 -0.69 0.00 0.00 174.62 172.73 3h1o s THR 177 N -1.16 1.36 -0.20 -0.82 2.01 0.73 -1.73 115.64 115.84 3h1o s THR 177 Ca 0.05 -0.50 -0.08 0.00 0.31 0.00 0.00 61.69 61.48 3h1o s THR 177 Cb -0.10 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 3h1o s THR 177 CO 0.04 0.42 0.07 -0.31 -0.69 0.00 0.00 174.62 174.15 3h1o s TYR 178 N 1.57 3.22 -0.04 4.92 2.02 0.14 -1.45 117.35 127.72 3h1o s TYR 178 Ca 0.05 0.00 0.04 0.00 -0.37 0.00 0.00 57.07 56.80 3h1o s TYR 178 Cb -0.13 -2.11 -0.00 0.00 -0.40 0.00 0.00 41.96 39.32 3h1o s TYR 178 CO -0.10 0.07 -0.17 1.03 -1.57 0.00 0.00 175.55 174.81 3h1o s ARG 179 N 0.61 1.75 0.36 -0.62 0.52 -0.29 -0.26 118.95 121.03 3h1o s ARG 179 Ca 0.03 -0.60 -0.18 0.00 -0.52 0.00 0.00 55.73 54.47 3h1o s ARG 179 Cb -0.13 -1.53 -0.10 0.00 0.52 0.00 0.00 34.95 33.72 3h1o s ARG 179 CO 0.01 0.24 0.82 0.45 0.02 0.00 0.00 175.30 176.85 3h1o s SER 180 N 0.04 6.87 0.00 0.23 0.15 -1.26 -0.92 113.70 118.81 3h1o s SER 180 Ca -0.04 1.46 0.23 0.00 0.70 0.00 0.00 55.95 58.31 3h1o s SER 180 Cb -0.11 -2.45 0.12 0.00 -1.71 0.00 0.00 66.02 61.87 3h1o s SER 180 CO 0.02 -0.24 1.16 0.29 1.20 0.00 0.00 173.24 175.66 3h1o n LYS 181 N -0.37 0.71 -3.29 5.44 5.02 -0.36 -4.89 118.16 120.41 3h1o n LYS 181 Ca 0.04 -0.55 -0.38 0.00 -2.02 0.00 0.00 58.31 55.40 3h1o n LYS 181 Cb 0.53 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.00 3h1o n LYS 181 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3h1o s LYS 182 N -2.67 4.27 -0.13 1.97 2.20 -1.26 -4.93 119.74 119.19 3h1o s LYS 182 Ca 0.16 0.56 -0.41 0.00 -0.36 0.00 0.00 55.97 55.92 3h1o s LYS 182 Cb 0.18 -3.37 -0.19 0.00 -1.51 0.00 0.00 37.83 32.93 3h1o s LYS 182 CO 0.65 0.31 1.27 -2.30 -0.36 0.00 0.00 175.35 174.93 3h1o n PRO 183 N 3.05 0.19 -0.19 4.03 -0.02 -1.26 -4.79 135.00 136.00 3h1o n PRO 183 Ca -0.08 0.07 0.30 0.00 -2.02 0.00 0.00 63.50 61.77 3h1o n PRO 183 Cb 0.51 -1.59 0.73 0.00 -0.02 0.00 0.00 33.50 33.13 3h1o n PRO 183 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h1o h ALA 184 N 3.90 2.85 -0.99 3.55 0.00 -1.94 0.15 119.26 126.79 3h1o h ALA 184 Ca -0.49 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 54.60 3h1o h ALA 184 Cb 1.40 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 19.16 3h1o h ALA 184 CO 0.76 -1.17 0.62 0.87 0.00 0.00 0.00 179.25 180.33 3h1o h LYS 185 N 0.00 0.60 -0.85 0.00 1.57 -2.03 -0.24 116.57 115.61 3h1o h LYS 185 Ca 0.44 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.96 3h1o h LYS 185 Cb 1.83 -0.13 -0.13 0.00 0.08 0.00 0.00 32.23 33.87 3h1o h LYS 185 CO -0.00 0.39 0.29 0.09 -0.57 0.00 0.00 179.45 179.65 3h1o n ASN 186 N -4.68 4.12 -3.96 0.86 3.02 0.52 -4.85 115.26 110.29 3h1o n ASN 186 Ca 0.23 -3.03 -0.30 0.00 -0.03 0.00 0.00 54.58 51.45 3h1o n ASN 186 Cb 0.66 -0.71 -0.16 0.00 -0.61 0.00 0.00 39.78 38.95 3h1o n ASN 186 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3h1o s LEU 187 N -2.41 1.95 -0.71 3.41 1.43 -0.10 -4.99 118.68 117.25 3h1o s LEU 187 Ca 0.44 -0.75 -0.23 0.00 -1.03 0.00 0.00 54.13 52.57 3h1o s LEU 187 Cb 0.36 -1.11 0.07 0.00 0.03 0.00 0.00 46.19 45.54 3h1o s LEU 187 CO 0.10 -0.15 1.05 -0.75 0.23 0.00 0.00 176.35 176.84 3h1o s LYS 188 N 1.50 3.19 0.40 1.70 2.20 -1.26 -5.00 119.74 122.46 3h1o s LYS 188 Ca 0.00 -0.84 -0.26 0.00 -0.36 0.00 0.00 55.97 54.52 3h1o s LYS 188 Cb -0.15 -4.33 -0.09 0.00 -1.51 0.00 0.00 37.83 31.75 3h1o s LYS 188 CO -0.08 -1.88 1.24 -1.64 -0.36 0.00 0.00 175.35 172.62 3h1o s MET 189 N 4.24 4.03 0.92 4.03 -1.94 -1.26 -4.84 119.30 124.48 3h1o s MET 189 Ca 0.26 2.01 -0.12 0.00 -1.71 0.00 0.00 55.69 56.13 3h1o s MET 189 Cb -0.14 -2.74 0.19 0.00 2.01 0.00 0.00 34.83 34.15 3h1o s MET 189 CO 0.08 -0.39 1.26 -2.14 -0.01 0.00 0.00 175.02 173.82 3h1o s PRO 190 N -2.23 0.79 0.00 2.03 0.02 -1.26 -4.99 135.00 129.37 3h1o s PRO 190 Ca 0.56 -0.63 0.00 0.00 0.02 0.00 0.00 61.00 60.95 3h1o s PRO 190 Cb -0.35 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.21 3h1o s PRO 190 CO 0.44 -2.25 0.00 0.41 -0.33 0.00 0.00 177.00 175.28 3h1o n GLY 191 N -3.57 1.89 3.73 0.52 0.00 -1.26 -4.58 105.19 101.91 3h1o n GLY 191 Ca 0.16 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 3h1o n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1o s VAL 192 N 2.45 3.62 0.32 1.61 1.01 -1.26 -4.46 120.40 123.69 3h1o s VAL 192 Ca 0.00 1.25 -0.06 0.00 0.00 0.00 0.00 61.98 63.17 3h1o s VAL 192 Cb 0.00 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.60 3h1o s VAL 192 CO 0.00 0.15 0.53 0.00 0.00 0.00 0.00 175.10 175.78 3h1o n TYR 193 N 3.25 -1.68 -4.14 5.22 4.11 -0.41 -4.91 117.16 118.60 3h1o n TYR 193 Ca 0.07 -1.87 -0.16 0.00 -0.00 0.00 0.00 57.90 55.94 3h1o n TYR 193 Cb 0.44 0.61 -0.12 0.00 -0.00 0.00 0.00 39.34 40.28 3h1o n TYR 193 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 3h1o s TYR 194 N -3.17 0.87 -0.14 -3.48 1.51 0.09 -0.52 117.35 112.52 3h1o s TYR 194 Ca 0.21 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 3h1o s TYR 194 Cb -0.02 -0.51 0.02 0.00 -0.11 0.00 0.00 41.96 41.34 3h1o s TYR 194 CO 0.15 -0.02 -0.15 0.08 -1.11 0.00 0.00 175.55 174.50 3h1o s VAL 195 N -1.14 1.56 -0.04 0.71 1.01 -0.19 -0.21 120.40 122.10 3h1o s VAL 195 Ca -0.05 -0.64 -0.20 0.00 0.00 0.00 0.00 61.98 61.08 3h1o s VAL 195 Cb -0.09 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 3h1o s VAL 195 CO 0.01 0.46 0.59 -1.81 0.00 0.00 0.00 175.10 174.34 3h1o s ASP 196 N 1.32 6.91 0.08 3.32 1.01 -0.62 -0.79 116.67 127.90 3h1o s ASP 196 Ca 0.01 1.09 0.10 0.00 0.71 0.00 0.00 52.55 54.46 3h1o s ASP 196 Cb -0.14 -2.36 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 3h1o s ASP 196 CO -0.08 0.04 -0.26 -0.31 0.21 0.00 0.00 175.17 174.78 3h1o s TYR 197 N 0.15 2.26 -0.26 4.23 1.51 0.20 -1.55 117.35 123.89 3h1o s TYR 197 Ca 0.31 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.96 3h1o s TYR 197 Cb -0.17 -1.31 0.08 0.00 -0.11 0.00 0.00 41.96 40.45 3h1o s TYR 197 CO 0.16 0.20 0.05 0.50 -1.11 0.00 0.00 175.55 175.35 3h1o s ARG 198 N -1.54 0.83 -0.25 -0.62 3.52 -0.25 -1.88 118.95 118.76 3h1o s ARG 198 Ca 0.12 -0.84 -0.10 0.00 -0.13 0.00 0.00 55.73 54.78 3h1o s ARG 198 Cb -0.10 -2.12 -0.04 0.00 -1.56 0.00 0.00 34.95 31.12 3h1o s ARG 198 CO 0.03 -0.81 0.14 -1.17 -0.81 0.00 0.00 175.30 172.68 3h1o s LEU 199 N 1.67 3.89 -0.03 -0.88 2.96 -1.26 -2.17 118.68 122.85 3h1o s LEU 199 Ca 0.04 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.98 3h1o s LEU 199 Cb -0.17 -2.05 -0.00 0.00 0.50 0.00 0.00 46.19 44.46 3h1o s LEU 199 CO -0.17 0.01 -0.14 -1.61 -1.32 0.00 0.00 176.35 173.13 3h1o s GLU 200 N 1.35 1.39 -0.20 1.98 2.02 0.42 -4.53 118.70 121.13 3h1o s GLU 200 Ca 0.06 -0.50 -0.29 0.00 0.02 0.00 0.00 54.97 54.26 3h1o s GLU 200 Cb -0.15 -1.26 0.00 0.00 0.10 0.00 0.00 34.13 32.83 3h1o s GLU 200 CO 0.06 0.23 1.06 0.50 0.02 0.00 0.00 175.26 177.13 3h1o s ARG 201 N -0.02 4.29 -0.16 1.61 6.06 -1.26 -0.27 118.95 129.20 3h1o s ARG 201 Ca -0.01 1.40 0.06 0.00 -2.50 0.00 0.00 55.73 54.68 3h1o s ARG 201 Cb -0.09 -3.63 -0.23 0.00 0.06 0.00 0.00 34.95 31.06 3h1o s ARG 201 CO 0.01 -0.58 0.20 -0.89 -2.50 0.00 0.00 175.30 171.53 3h1o n ILE 202 N 5.18 1.57 -3.59 4.11 2.08 0.13 -4.96 119.36 123.88 3h1o n ILE 202 Ca 0.12 -0.71 -0.15 0.00 0.56 0.00 0.00 62.75 62.56 3h1o n ILE 202 Cb 0.46 -1.19 -0.06 0.00 -0.75 0.00 0.00 39.64 38.10 3h1o n ILE 202 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 3h1o s LYS 203 N -2.54 0.97 0.01 0.38 2.20 -0.92 -4.97 119.74 114.87 3h1o s LYS 203 Ca -0.19 -0.07 -0.02 0.00 -0.36 0.00 0.00 55.97 55.33 3h1o s LYS 203 Cb 0.07 0.45 -0.01 0.00 -1.51 0.00 0.00 37.83 36.83 3h1o s LYS 203 CO 0.75 -0.32 0.02 -1.83 -0.36 0.00 0.00 175.35 173.61 3h1o s GLU 204 N -1.83 0.34 0.01 4.03 4.04 -1.26 -0.47 118.70 123.57 3h1o s GLU 204 Ca -0.09 -0.49 0.00 0.00 0.04 0.00 0.00 54.97 54.43 3h1o s GLU 204 Cb -0.01 0.13 -0.01 0.00 0.02 0.00 0.00 34.13 34.25 3h1o s GLU 204 CO 0.03 -0.07 -0.02 0.00 -1.84 0.00 0.00 175.26 173.37 3h1o s ALA 205 N -1.32 0.10 -1.06 -0.84 0.00 0.26 -4.93 121.76 113.98 3h1o s ALA 205 Ca -0.14 -0.38 -0.02 0.00 0.00 0.00 0.00 51.96 51.42 3h1o s ALA 205 Cb -0.09 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 3h1o s ALA 205 CO -0.00 -0.09 0.90 -0.25 0.00 0.00 0.00 175.76 176.32 3h1o n ASP 206 N 2.15 -3.31 -3.20 0.00 8.00 -1.26 -1.83 116.55 117.11 3h1o n ASP 206 Ca -0.19 -0.60 -0.19 0.00 0.71 0.00 0.00 54.79 54.52 3h1o n ASP 206 Cb 0.57 -4.79 0.07 0.00 -0.02 0.00 0.00 41.12 36.95 3h1o n ASP 206 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3h1o n LYS 207 N -3.65 -6.68 -1.80 -1.24 5.02 -1.26 -2.37 118.16 106.18 3h1o n LYS 207 Ca -0.21 0.73 -0.14 0.00 -2.02 0.00 0.00 58.31 56.68 3h1o n LYS 207 Cb 0.64 -5.47 -0.03 0.00 -0.02 0.00 0.00 35.03 30.15 3h1o n LYS 207 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3h1o n GLU 208 N -4.26 -1.02 0.11 1.97 1.02 -1.18 -4.54 120.64 112.73 3h1o n GLU 208 Ca -0.07 0.83 0.12 0.00 -0.02 0.00 0.00 57.16 58.03 3h1o n GLU 208 Cb 0.58 -5.00 0.27 0.00 -0.02 0.00 0.00 31.44 27.27 3h1o n GLU 208 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3h1o h THR 209 N 0.00 0.00 -3.47 2.62 1.35 -1.08 -3.43 112.91 108.91 3h1o h THR 209 Ca -0.30 -0.60 -0.53 0.00 -0.55 0.00 0.00 66.41 64.42 3h1o h THR 209 Cb 1.06 1.45 -0.33 0.00 -1.73 0.00 0.00 68.15 68.60 3h1o h THR 209 CO 0.40 0.00 -0.82 -0.47 -0.25 0.00 0.00 175.52 174.38 3h1o s TYR 210 N -3.15 1.58 -0.02 4.73 6.14 -0.76 -0.89 117.35 124.98 3h1o s TYR 210 Ca 0.08 -0.58 0.00 0.00 0.64 0.00 0.00 57.07 57.22 3h1o s TYR 210 Cb 0.11 -1.13 0.03 0.00 0.42 0.00 0.00 41.96 41.39 3h1o s TYR 210 CO 0.66 -0.28 0.01 0.08 0.64 0.00 0.00 175.55 176.66 3h1o s VAL 211 N 0.56 0.09 -0.19 3.14 1.01 -0.32 -0.57 120.40 124.12 3h1o s VAL 211 Ca -0.14 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 3h1o s VAL 211 Cb -0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 3h1o s VAL 211 CO 0.04 0.12 0.01 -0.70 0.00 0.00 0.00 175.10 174.57 3h1o s GLU 212 N 0.98 3.68 0.05 2.72 2.12 0.38 0.21 118.70 128.84 3h1o s GLU 212 Ca -0.09 -0.49 0.07 0.00 0.36 0.00 0.00 54.97 54.82 3h1o s GLU 212 Cb -0.13 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 3h1o s GLU 212 CO -0.02 0.08 -0.21 -0.65 -0.54 0.00 0.00 175.26 173.92 3h1o s GLN 213 N 0.83 1.38 0.03 4.30 -0.21 -0.65 0.17 119.66 125.52 3h1o s GLN 213 Ca 0.01 -0.96 0.05 0.00 0.02 0.00 0.00 55.36 54.48 3h1o s GLN 213 Cb -0.14 -1.51 -0.02 0.00 1.00 0.00 0.00 33.01 32.34 3h1o s GLN 213 CO 0.02 0.38 -0.14 -1.58 -2.12 0.00 0.00 175.29 171.85 3h1o s HIS 214 N -0.82 1.24 -0.01 0.91 5.65 0.63 -1.21 115.29 121.67 3h1o s HIS 214 Ca 0.07 -0.32 0.01 0.00 0.25 0.00 0.00 55.06 55.07 3h1o s HIS 214 Cb -0.09 -0.75 0.01 0.00 -1.18 0.00 0.00 32.58 30.57 3h1o s HIS 214 CO 0.02 0.02 -0.02 -2.00 -0.65 0.00 0.00 174.74 172.12 3h1o s GLU 215 N -0.92 0.22 -0.08 2.88 2.12 -0.31 -0.43 118.70 122.17 3h1o s GLU 215 Ca 0.03 -0.03 0.03 0.00 0.36 0.00 0.00 54.97 55.35 3h1o s GLU 215 Cb -0.07 -0.28 -0.02 0.00 0.26 0.00 0.00 34.13 34.02 3h1o s GLU 215 CO 0.01 -0.01 -0.16 0.54 -0.54 0.00 0.00 175.26 175.10 3h1o s VAL 216 N 0.30 2.88 -0.01 3.70 0.11 -0.92 -1.41 120.40 125.04 3h1o s VAL 216 Ca -0.03 -0.76 -0.00 0.00 -2.93 0.00 0.00 61.98 58.26 3h1o s VAL 216 Cb -0.05 -2.15 0.01 0.00 -1.53 0.00 0.00 36.38 32.66 3h1o s VAL 216 CO -0.01 0.56 0.03 0.00 -3.33 0.00 0.00 175.10 172.35 3h1o s ALA 217 N -0.20 -0.01 -0.07 1.54 0.00 0.25 -1.09 121.76 122.18 3h1o s ALA 217 Ca -0.00 0.15 -0.02 0.00 0.00 0.00 0.00 51.96 52.09 3h1o s ALA 217 Cb -0.13 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 22.91 3h1o s ALA 217 CO 0.03 -0.04 0.03 0.08 0.00 0.00 0.00 175.76 175.86 3h1o s VAL 218 N 0.38 0.17 0.13 0.00 1.01 -0.60 -1.71 120.40 119.77 3h1o s VAL 218 Ca -0.03 0.19 -0.26 0.00 0.00 0.00 0.00 61.98 61.89 3h1o s VAL 218 Cb -0.04 -0.41 -0.07 0.00 0.00 0.00 0.00 36.38 35.85 3h1o s VAL 218 CO -0.01 0.18 0.79 0.00 0.00 0.00 0.00 175.10 176.05 3h1o s ALA 219 N 2.05 3.41 0.26 5.51 0.00 0.19 -1.59 121.76 131.59 3h1o s ALA 219 Ca 0.05 0.36 -0.15 0.00 0.00 0.00 0.00 51.96 52.21 3h1o s ALA 219 Cb -0.13 -3.00 0.01 0.00 0.00 0.00 0.00 23.12 20.00 3h1o s ALA 219 CO -0.05 0.20 0.57 -0.98 0.00 0.00 0.00 175.76 175.50 3h1o s ARG 220 N -0.73 1.66 0.49 0.00 1.70 0.70 -2.20 118.95 120.57 3h1o s ARG 220 Ca 0.37 -1.18 0.03 0.00 -0.47 0.00 0.00 55.73 54.48 3h1o s ARG 220 Cb -0.22 0.52 0.02 0.00 -0.57 0.00 0.00 34.95 34.70 3h1o s ARG 220 CO 0.26 -0.72 0.69 0.71 -1.08 0.00 0.00 175.30 175.15 3h1o s TYR 221 N -3.91 2.91 -0.02 5.89 1.51 -1.26 -0.73 117.35 121.74 3h1o s TYR 221 Ca 0.19 -0.09 -0.30 0.00 -1.01 0.00 0.00 57.07 55.85 3h1o s TYR 221 Cb -0.03 -2.54 -0.04 0.00 -0.11 0.00 0.00 41.96 39.24 3h1o s TYR 221 CO 0.09 -0.63 1.28 0.00 -1.11 0.00 0.00 175.55 175.18 3h1o n ASP 223 N 5.14 4.34 -4.76 0.00 8.00 -1.26 -4.94 116.55 123.07 3h1o n ASP 223 Ca 0.12 -2.31 -0.38 0.00 0.71 0.00 0.00 54.79 52.94 3h1o n ASP 223 Cb 0.45 -0.54 0.01 0.00 -0.02 0.00 0.00 41.12 41.02 3h1o n ASP 223 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3h1o s LEU 224 N -1.56 3.96 0.74 0.64 1.43 -1.26 -4.99 118.68 117.65 3h1o s LEU 224 Ca 0.48 2.46 -0.14 0.00 -1.03 0.00 0.00 54.13 55.90 3h1o s LEU 224 Cb 0.29 -4.25 0.05 0.00 0.03 0.00 0.00 46.19 42.31 3h1o s LEU 224 CO 0.26 -1.14 1.19 -2.84 0.23 0.00 0.00 176.35 174.05 3h1o s PRO 225 N -2.76 2.10 0.04 1.29 0.02 -1.26 -5.04 135.00 129.39 3h1o s PRO 225 Ca 0.66 1.70 0.09 0.00 0.02 0.00 0.00 61.00 63.47 3h1o s PRO 225 Cb -0.33 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.33 3h1o s PRO 225 CO 0.39 -1.85 -0.25 0.45 -0.33 0.00 0.00 177.00 175.41 3h1o s SER 226 N -2.16 3.24 0.05 2.53 0.15 -1.26 -5.02 113.70 111.22 3h1o s SER 226 Ca 0.73 -0.57 0.23 0.00 0.70 0.00 0.00 55.95 57.03 3h1o s SER 226 Cb -0.28 -0.32 0.01 0.00 -1.71 0.00 0.00 66.02 63.72 3h1o s SER 226 CO 0.46 0.26 0.99 0.29 1.20 0.00 0.00 173.24 176.44 3h1o n LYS 227 N 1.75 0.32 0.00 5.44 5.02 -1.26 -5.32 118.16 124.11 3h1o n LYS 227 Ca -0.17 -0.01 0.14 0.00 -2.02 0.00 0.00 58.31 56.26 3h1o n LYS 227 Cb 0.52 -1.60 0.58 0.00 -0.02 0.00 0.00 35.03 34.51 3h1o n LYS 227 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16