#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h1a s LEU 3 N 0.00 4.16 0.00 -4.42 1.43 -0.28 -4.96 118.68 114.61 1h1a s LEU 3 Ca 0.00 2.13 0.05 0.00 -1.03 0.00 0.00 54.13 55.28 1h1a s LEU 3 Cb 0.00 -4.13 0.03 0.00 0.03 0.00 0.00 46.19 42.12 1h1a s LEU 3 CO 0.00 -0.55 0.58 0.35 0.23 0.00 0.00 176.35 176.96 1h1a n THR 4 N -0.01 0.00 -3.84 5.49 -2.24 -1.26 -4.55 114.28 107.87 1h1a n THR 4 Ca 0.05 -0.48 -0.04 0.00 -2.27 0.00 0.00 64.05 61.31 1h1a n THR 4 Cb 0.49 1.09 0.01 0.00 -2.10 0.00 0.00 70.33 69.81 1h1a n THR 4 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1h1a s SER 5 N -0.57 -0.05 0.43 3.42 0.15 -1.26 -5.13 113.70 110.69 1h1a s SER 5 Ca 0.05 -0.65 -0.25 0.00 0.70 0.00 0.00 55.95 55.80 1h1a s SER 5 Cb 0.04 0.54 -0.10 0.00 -1.71 0.00 0.00 66.02 64.79 1h1a s SER 5 CO 0.08 -1.05 1.17 -1.20 1.20 0.00 0.00 173.24 173.45 1h1a n SER 6 N -1.03 2.04 -3.47 5.45 7.64 -1.26 -4.96 113.62 118.04 1h1a n SER 6 Ca -0.04 1.07 -0.10 0.00 1.01 0.00 0.00 58.87 60.80 1h1a n SER 6 Cb 0.60 -1.45 -0.02 0.00 -1.01 0.00 0.00 64.21 62.33 1h1a n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h1a s ALA 7 N -1.23 -1.66 0.17 -0.43 0.00 -0.16 -4.99 121.76 113.44 1h1a s ALA 7 Ca 0.62 0.64 -0.06 0.00 0.00 0.00 0.00 51.96 53.16 1h1a s ALA 7 Cb -0.52 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 1h1a s ALA 7 CO 0.57 -0.76 0.21 0.95 0.00 0.00 0.00 175.76 176.73 1h1a s THR 8 N -3.53 0.06 -5.00 0.00 -4.23 -1.26 -0.38 115.64 101.30 1h1a s THR 8 Ca 0.03 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1h1a s THR 8 Cb -0.01 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.81 1h1a s THR 8 CO -0.11 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1h1a n GLY 9 N -0.20 -0.04 3.16 3.99 0.00 -0.92 -4.98 105.19 106.21 1h1a n GLY 9 Ca -0.05 -1.42 -0.25 0.00 0.00 0.00 0.00 46.02 44.31 1h1a n GLY 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h1a s THR 10 N -2.94 1.38 -0.06 2.61 -4.23 -1.26 -0.24 115.64 110.89 1h1a s THR 10 Ca 0.00 -0.74 -0.01 0.00 -1.18 0.00 0.00 61.69 59.76 1h1a s THR 10 Cb 0.00 -1.15 0.03 0.00 1.34 0.00 0.00 72.50 72.72 1h1a s THR 10 CO 0.00 0.39 0.00 -2.28 -0.54 0.00 0.00 174.62 172.19 1h1a s HIS 11 N -0.39 0.59 -1.44 3.99 5.04 0.20 -4.81 115.29 118.48 1h1a s HIS 11 Ca 0.06 -0.12 -0.09 0.00 -1.54 0.00 0.00 55.06 53.37 1h1a s HIS 11 Cb -0.07 -0.72 0.05 0.00 0.04 0.00 0.00 32.58 31.88 1h1a s HIS 11 CO -0.01 -0.28 0.70 0.09 -2.34 0.00 0.00 174.74 172.90 1h1a n ASN 12 N 4.96 -4.90 0.00 9.88 3.02 -1.26 -1.37 115.26 125.59 1h1a n ASN 12 Ca -0.10 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 1h1a n ASN 12 Cb 0.50 -3.97 0.00 0.00 -0.61 0.00 0.00 39.78 35.71 1h1a n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h1a n GLY 13 N -1.47 1.38 3.53 7.41 0.00 -1.26 -4.72 105.19 110.07 1h1a n GLY 13 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1h1a n GLY 13 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h1a s TYR 14 N -2.55 2.95 0.46 1.61 1.51 -0.47 -5.02 117.35 115.84 1h1a s TYR 14 Ca 0.00 -0.14 -0.23 0.00 -1.01 0.00 0.00 57.07 55.69 1h1a s TYR 14 Cb 0.00 -1.80 -0.07 0.00 -0.11 0.00 0.00 41.96 39.98 1h1a s TYR 14 CO 0.00 0.16 1.17 -0.47 -1.11 0.00 0.00 175.55 175.31 1h1a s TYR 15 N -0.33 2.85 0.01 2.71 5.04 -0.41 0.63 117.35 127.84 1h1a s TYR 15 Ca 0.05 1.53 0.02 0.00 -2.44 0.00 0.00 57.07 56.23 1h1a s TYR 15 Cb -0.12 -3.40 -0.01 0.00 0.35 0.00 0.00 41.96 38.78 1h1a s TYR 15 CO 0.02 -1.56 -0.07 1.52 -1.34 0.00 0.00 175.55 174.12 1h1a s TYR 16 N -1.54 0.64 -0.02 4.97 -0.85 0.66 -0.19 117.35 121.02 1h1a s TYR 16 Ca 0.64 -0.19 0.01 0.00 -0.52 0.00 0.00 57.07 57.01 1h1a s TYR 16 Cb -0.29 -0.40 0.02 0.00 0.38 0.00 0.00 41.96 41.66 1h1a s TYR 16 CO 0.35 -0.02 -0.02 0.45 -1.52 0.00 0.00 175.55 174.79 1h1a s SER 17 N -0.46 0.49 -0.08 -0.18 0.15 -0.90 -2.16 113.70 110.56 1h1a s SER 17 Ca 0.00 -0.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.59 1h1a s SER 17 Cb -0.04 -0.20 0.03 0.00 -1.71 0.00 0.00 66.02 64.10 1h1a s SER 17 CO -0.00 -0.05 -0.01 0.12 1.20 0.00 0.00 173.24 174.50 1h1a s PHE 18 N 0.64 0.82 -0.09 3.44 5.36 0.49 -1.17 117.98 127.46 1h1a s PHE 18 Ca -0.07 -0.27 0.03 0.00 -0.96 0.00 0.00 56.93 55.67 1h1a s PHE 18 Cb -0.10 -0.87 0.01 0.00 -0.34 0.00 0.00 43.02 41.72 1h1a s PHE 18 CO -0.01 -0.35 -0.20 -0.46 -1.46 0.00 0.00 175.22 172.74 1h1a s TRP 19 N 1.85 2.23 0.01 10.12 -0.00 0.04 -0.99 118.94 132.20 1h1a s TRP 19 Ca 0.04 -0.92 -0.03 0.00 -0.00 0.00 0.00 56.10 55.19 1h1a s TRP 19 Cb -0.12 -1.52 -0.01 0.00 -0.00 0.00 0.00 33.47 31.81 1h1a s TRP 19 CO -0.05 -0.40 0.04 -0.08 -0.00 0.00 0.00 176.95 176.45 1h1a s THR 20 N 0.51 0.09 -1.49 5.86 -1.32 -1.26 -0.89 115.64 117.13 1h1a s THR 20 Ca -0.16 -0.74 0.10 0.00 -1.21 0.00 0.00 61.69 59.67 1h1a s THR 20 Cb -0.17 -0.30 0.35 0.00 -1.51 0.00 0.00 72.50 70.87 1h1a s THR 20 CO 0.06 -0.41 1.21 -0.90 -2.21 0.00 0.00 174.62 172.37 1h1a n ASP 21 N 1.69 2.47 0.00 8.08 5.75 -0.40 -4.77 116.55 129.37 1h1a n ASP 21 Ca -0.22 -2.17 0.00 0.00 -0.01 0.00 0.00 54.79 52.39 1h1a n ASP 21 Cb 0.56 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1h1a n ASP 21 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h1a n GLY 22 N 0.80 0.77 3.97 6.12 0.00 -1.26 -4.96 105.19 110.62 1h1a n GLY 22 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1h1a n GLY 22 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1h1a s GLN 23 N -0.34 3.06 1.80 1.61 -1.52 -1.26 -4.98 119.66 118.03 1h1a s GLN 23 Ca 0.00 -0.66 0.00 0.00 -1.95 0.00 0.00 55.36 52.75 1h1a s GLN 23 Cb 0.00 -2.64 0.00 0.00 -0.22 0.00 0.00 33.01 30.15 1h1a s GLN 23 CO 0.00 -0.18 0.00 0.41 -0.25 0.00 0.00 175.29 175.27 1h1a n GLY 24 N -1.95 -1.20 3.42 3.09 0.00 -1.25 -3.87 105.19 103.43 1h1a n GLY 24 Ca 0.01 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 1h1a n GLY 24 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1h1a s ASN 25 N -4.00 4.15 -0.21 1.61 0.01 0.25 -4.90 114.94 111.85 1h1a s ASN 25 Ca 0.00 -0.26 -0.27 0.00 -0.71 0.00 0.00 52.86 51.62 1h1a s ASN 25 Cb 0.00 -1.47 0.07 0.00 0.41 0.00 0.00 41.25 40.26 1h1a s ASN 25 CO 0.00 0.21 0.71 -0.51 -1.51 0.00 0.00 177.10 176.00 1h1a s ILE 26 N 0.08 0.00 -0.22 0.60 2.07 -1.26 -1.13 121.20 121.35 1h1a s ILE 26 Ca -0.05 -0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.16 1h1a s ILE 26 Cb -0.14 -1.00 0.07 0.00 0.13 0.00 0.00 42.46 41.51 1h1a s ILE 26 CO 0.04 -0.00 0.06 -0.13 -1.91 0.00 0.00 174.94 173.00 1h1a s ARG 27 N -0.02 0.59 -0.26 3.50 0.52 -0.39 -5.01 118.95 117.88 1h1a s ARG 27 Ca -0.03 -0.51 -0.08 0.00 -0.52 0.00 0.00 55.73 54.59 1h1a s ARG 27 Cb -0.04 -2.00 -0.03 0.00 0.52 0.00 0.00 34.95 33.40 1h1a s ARG 27 CO 0.03 -0.73 0.11 0.12 0.02 0.00 0.00 175.30 174.85 1h1a s PHE 28 N 1.86 3.13 -0.12 -0.53 5.36 -1.26 -2.06 117.98 124.36 1h1a s PHE 28 Ca 0.02 -0.26 0.03 0.00 -0.96 0.00 0.00 56.93 55.75 1h1a s PHE 28 Cb -0.17 -2.28 -0.00 0.00 -0.34 0.00 0.00 43.02 40.23 1h1a s PHE 28 CO -0.13 -0.29 -0.20 -0.80 -1.46 0.00 0.00 175.22 172.33 1h1a s ASN 29 N 1.64 3.35 -0.08 6.13 -0.87 0.32 -1.13 114.94 124.31 1h1a s ASN 29 Ca 0.07 -0.51 -0.26 0.00 -1.57 0.00 0.00 52.86 50.58 1h1a s ASN 29 Cb -0.15 -1.47 -0.03 0.00 -0.02 0.00 0.00 41.25 39.58 1h1a s ASN 29 CO 0.06 0.14 0.85 -0.76 -2.57 0.00 0.00 177.10 174.81 1h1a s LEU 30 N 0.47 4.29 0.00 0.60 1.43 -1.26 -1.47 118.68 122.74 1h1a s LEU 30 Ca -0.14 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 1h1a s LEU 30 Cb -0.17 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1h1a s LEU 30 CO 0.06 -0.26 0.00 -0.62 0.23 0.00 0.00 176.35 175.76 1h1a n GLU 31 N 4.29 1.86 -1.69 1.70 1.02 -0.24 -4.86 120.64 122.73 1h1a n GLU 31 Ca 0.03 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.76 1h1a n GLU 31 Cb 0.50 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.93 1h1a n GLU 31 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1h1a n SER 32 N -1.16 2.41 0.00 1.62 2.88 -1.26 -4.33 113.62 113.78 1h1a n SER 32 Ca 0.00 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1h1a n SER 32 Cb 0.00 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 61.99 1h1a n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1h1a n GLY 33 N 0.86 3.32 1.88 0.46 0.00 -1.26 -1.21 105.19 109.23 1h1a n GLY 33 Ca 0.07 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1h1a n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h1a n GLY 34 N 0.00 3.66 3.84 -0.02 0.00 -1.26 -4.62 105.19 106.80 1h1a n GLY 34 Ca 0.00 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 1h1a n GLY 34 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1h1a s GLN 35 N -2.55 3.12 0.04 1.61 0.74 -0.35 -0.69 119.66 121.58 1h1a s GLN 35 Ca 0.44 -0.63 -0.16 0.00 0.05 0.00 0.00 55.36 55.06 1h1a s GLN 35 Cb 0.37 -2.84 0.03 0.00 1.10 0.00 0.00 33.01 31.67 1h1a s GLN 35 CO 0.10 0.56 0.37 1.52 -0.55 0.00 0.00 175.29 177.29 1h1a s TYR 36 N -1.52 -0.20 0.05 1.67 -0.85 -0.46 -1.07 117.35 114.97 1h1a s TYR 36 Ca 0.32 0.15 0.03 0.00 -0.52 0.00 0.00 57.07 57.05 1h1a s TYR 36 Cb -0.12 0.16 -0.02 0.00 0.38 0.00 0.00 41.96 42.36 1h1a s TYR 36 CO 0.25 -0.53 -0.09 -1.54 -1.52 0.00 0.00 175.55 172.12 1h1a s SER 37 N -1.95 1.03 -0.08 -0.18 1.04 -0.54 -1.09 113.70 111.93 1h1a s SER 37 Ca -0.06 -0.55 -0.07 0.00 0.48 0.00 0.00 55.95 55.75 1h1a s SER 37 Cb -0.01 0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.15 1h1a s SER 37 CO -0.02 -0.17 0.21 0.54 0.98 0.00 0.00 173.24 174.79 1h1a s VAL 38 N -1.32 -0.01 -0.06 5.02 0.11 0.49 -0.52 120.40 124.11 1h1a s VAL 38 Ca -0.08 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.03 1h1a s VAL 38 Cb -0.10 -0.31 0.01 0.00 -1.53 0.00 0.00 36.38 34.45 1h1a s VAL 38 CO 0.01 0.01 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.75 1h1a s THR 39 N 0.33 1.37 0.16 5.04 2.01 -0.87 -0.82 115.64 122.84 1h1a s THR 39 Ca -0.02 -0.63 -0.11 0.00 0.31 0.00 0.00 61.69 61.24 1h1a s THR 39 Cb -0.03 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.27 1h1a s THR 39 CO -0.01 0.40 0.31 -1.66 -0.69 0.00 0.00 174.62 172.97 1h1a s TRP 40 N 0.43 0.25 0.17 4.92 -2.14 -0.41 -1.26 118.94 120.91 1h1a s TRP 40 Ca -0.12 -0.62 -0.20 0.00 2.66 0.00 0.00 56.10 57.81 1h1a s TRP 40 Cb -0.15 0.03 0.07 0.00 -3.10 0.00 0.00 33.47 30.32 1h1a s TRP 40 CO 0.04 -0.72 0.98 -1.13 -2.66 0.00 0.00 176.95 173.46 1h1a n SER 41 N -0.21 -1.65 0.00 -2.66 3.41 -0.28 -0.96 113.62 111.26 1h1a n SER 41 Ca -0.09 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 1h1a n SER 41 Cb 0.63 2.68 0.00 0.00 -0.26 0.00 0.00 64.21 67.26 1h1a n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h1a n GLY 42 N -0.69 -1.38 2.74 5.00 0.00 -1.25 -0.58 105.19 109.03 1h1a n GLY 42 Ca -0.02 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.30 1h1a n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h1a n ASN 43 N 0.12 6.39 -4.96 1.61 3.02 -1.26 -3.64 115.26 116.54 1h1a n ASN 43 Ca 0.00 -3.69 -0.19 0.00 -0.03 0.00 0.00 54.58 50.67 1h1a n ASN 43 Cb 0.00 -0.96 -0.01 0.00 -0.61 0.00 0.00 39.78 38.20 1h1a n ASN 43 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1h1a s GLY 44 N -2.07 1.74 -0.19 7.41 0.00 -1.25 -3.91 107.32 109.04 1h1a s GLY 44 Ca 0.43 -1.57 -0.01 0.00 0.00 0.00 0.00 44.72 43.56 1h1a s GLY 44 CO -0.14 -1.46 -0.00 0.21 0.00 0.00 0.00 173.10 171.71 1h1a s ASN 45 N -4.16 2.97 0.12 1.64 3.04 -1.26 -0.51 114.94 116.77 1h1a s ASN 45 Ca 0.46 -0.80 -0.19 0.00 0.04 0.00 0.00 52.86 52.37 1h1a s ASN 45 Cb -0.08 -0.77 0.05 0.00 -1.54 0.00 0.00 41.25 38.91 1h1a s ASN 45 CO 0.30 -0.26 0.48 -1.66 -3.04 0.00 0.00 177.10 172.92 1h1a s TRP 46 N 1.73 -0.33 -0.20 0.43 1.48 -0.70 -1.28 118.94 120.06 1h1a s TRP 46 Ca -0.01 0.12 -0.12 0.00 -1.06 0.00 0.00 56.10 55.03 1h1a s TRP 46 Cb -0.17 0.35 0.06 0.00 -1.16 0.00 0.00 33.47 32.56 1h1a s TRP 46 CO -0.07 -0.73 0.49 0.54 -4.06 0.00 0.00 176.95 173.13 1h1a s VAL 47 N -3.50 -0.01 0.18 -0.66 0.11 -0.07 -1.05 120.40 115.39 1h1a s VAL 47 Ca 0.01 0.05 -0.23 0.00 -2.93 0.00 0.00 61.98 58.88 1h1a s VAL 47 Cb 0.01 -0.72 0.06 0.00 -1.53 0.00 0.00 36.38 34.20 1h1a s VAL 47 CO -0.10 0.02 0.65 -0.83 -3.33 0.00 0.00 175.10 171.51 1h1a s GLY 48 N 1.25 -0.49 0.00 6.54 0.00 -0.61 -0.78 107.32 113.23 1h1a s GLY 48 Ca -0.08 0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.98 1h1a s GLY 48 CO -0.12 0.11 0.00 0.61 0.00 0.00 0.00 173.10 173.70 1h1a n GLY 49 N -0.39 -1.42 3.43 0.20 0.00 -0.32 -1.35 105.19 105.35 1h1a n GLY 49 Ca -0.13 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 1h1a n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h1a s LYS 50 N -1.12 1.65 0.00 1.61 1.02 -1.20 -2.13 119.74 119.57 1h1a s LYS 50 Ca 0.00 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 54.76 1h1a s LYS 50 Cb 0.00 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 1h1a s LYS 50 CO 0.00 0.48 0.00 0.41 -0.92 0.00 0.00 175.35 175.32 1h1a n GLY 51 N 0.99 -0.21 3.10 -3.33 0.00 0.73 -0.87 105.19 105.59 1h1a n GLY 51 Ca -0.17 0.50 -0.08 0.00 0.00 0.00 0.00 46.02 46.28 1h1a n GLY 51 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h1a s TRP 52 N 0.00 0.57 -0.25 1.61 0.51 0.63 -1.29 118.94 120.71 1h1a s TRP 52 Ca 0.00 -1.03 -0.05 0.00 -2.12 0.00 0.00 56.10 52.90 1h1a s TRP 52 Cb 0.00 -0.40 0.13 0.00 -0.81 0.00 0.00 33.47 32.39 1h1a s TRP 52 CO 0.00 -0.34 0.49 1.21 -0.51 0.00 0.00 176.95 177.80 1h1a s ASN 53 N -2.90 -0.54 0.65 2.95 2.47 -1.26 -0.63 114.94 115.68 1h1a s ASN 53 Ca 0.07 0.85 -0.11 0.00 0.42 0.00 0.00 52.86 54.09 1h1a s ASN 53 Cb 0.07 1.65 -0.02 0.00 -1.45 0.00 0.00 41.25 41.50 1h1a s ASN 53 CO -0.09 -0.26 1.05 -2.16 -3.72 0.00 0.00 177.10 171.92 1h1a s PRO 54 N 2.70 3.33 0.91 0.43 0.04 -1.26 -5.03 135.00 136.12 1h1a s PRO 54 Ca 0.07 0.77 -0.13 0.00 0.04 0.00 0.00 61.00 61.75 1h1a s PRO 54 Cb -0.14 -2.05 0.14 0.00 0.04 0.00 0.00 34.50 32.49 1h1a s PRO 54 CO -0.17 -0.77 1.16 0.20 0.04 0.00 0.00 177.00 177.46 1h1a s GLY 55 N -4.09 1.60 0.11 0.56 0.00 0.44 -4.85 107.32 101.09 1h1a s GLY 55 Ca 0.56 -0.63 0.03 0.00 0.00 0.00 0.00 44.72 44.68 1h1a s GLY 55 CO 0.54 -0.06 -0.09 -0.51 0.00 0.00 0.00 173.10 172.98 1h1a s THR 56 N -3.39 0.95 0.29 0.90 -4.23 -1.26 -4.76 115.64 104.14 1h1a s THR 56 Ca 0.65 -1.84 0.22 0.00 -1.18 0.00 0.00 61.69 59.54 1h1a s THR 56 Cb -0.13 -1.58 0.20 0.00 1.34 0.00 0.00 72.50 72.33 1h1a s THR 56 CO 0.52 -0.69 1.89 0.44 -0.54 0.00 0.00 174.62 176.24 1h1a h ASP 57 N 3.18 0.00 -0.07 3.99 3.32 -1.98 -3.28 116.42 121.60 1h1a h ASP 57 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1h1a h ASP 57 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1h1a h ASP 57 CO 0.59 0.25 0.00 0.59 -1.72 0.00 0.00 179.24 178.95 1h1a n ASN 58 N -3.65 2.68 -4.76 6.45 3.02 -1.26 -2.83 115.26 114.91 1h1a n ASN 58 Ca -0.01 -2.97 -0.41 0.00 -0.03 0.00 0.00 54.58 51.16 1h1a n ASN 58 Cb 0.38 -0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 39.11 1h1a n ASN 58 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1h1a s ARG 59 N -2.69 4.30 -0.32 3.52 3.52 -1.24 -4.77 118.95 121.27 1h1a s ARG 59 Ca 0.32 2.28 -0.03 0.00 -0.13 0.00 0.00 55.73 58.17 1h1a s ARG 59 Cb 0.27 -3.07 0.05 0.00 -1.56 0.00 0.00 34.95 30.64 1h1a s ARG 59 CO 0.04 -0.29 0.04 0.08 -0.81 0.00 0.00 175.30 174.37 1h1a s VAL 60 N -0.85 3.26 -0.11 7.11 1.01 -1.26 -2.32 120.40 127.23 1h1a s VAL 60 Ca 0.52 -1.34 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 1h1a s VAL 60 Cb -0.41 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1h1a s VAL 60 CO 0.52 -0.16 0.33 -0.63 0.00 0.00 0.00 175.10 175.15 1h1a s ILE 61 N 1.29 5.24 -0.08 2.22 1.01 0.05 -4.91 121.20 126.03 1h1a s ILE 61 Ca -0.03 0.63 0.04 0.00 0.00 0.00 0.00 60.65 61.29 1h1a s ILE 61 Cb -0.20 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.62 1h1a s ILE 61 CO -0.00 0.46 -0.22 0.54 0.00 0.00 0.00 174.94 175.72 1h1a s ASN 62 N -0.09 2.82 0.18 3.58 4.22 -1.26 0.95 114.94 125.33 1h1a s ASN 62 Ca 0.19 -0.49 -0.10 0.00 -2.14 0.00 0.00 52.86 50.31 1h1a s ASN 62 Cb -0.14 -1.13 -0.00 0.00 1.28 0.00 0.00 41.25 41.26 1h1a s ASN 62 CO 0.07 0.16 0.33 -0.72 -2.04 0.00 0.00 177.10 174.91 1h1a s TYR 63 N 0.24 0.33 0.04 1.54 -0.85 -0.18 -0.79 117.35 117.68 1h1a s TYR 63 Ca -0.14 -0.69 0.00 0.00 -0.52 0.00 0.00 57.07 55.73 1h1a s TYR 63 Cb -0.16 0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.18 1h1a s TYR 63 CO 0.06 -0.77 -0.04 0.95 -1.52 0.00 0.00 175.55 174.23 1h1a s THR 64 N -3.96 0.25 -0.15 -3.49 -4.23 -0.67 -1.00 115.64 102.39 1h1a s THR 64 Ca 0.17 -1.21 -0.26 0.00 -1.18 0.00 0.00 61.69 59.21 1h1a s THR 64 Cb 0.02 -0.70 0.06 0.00 1.34 0.00 0.00 72.50 73.23 1h1a s THR 64 CO 0.00 -0.62 0.65 0.00 -0.54 0.00 0.00 174.62 174.11 1h1a s ALA 65 N -2.15 -1.64 -0.54 3.99 0.00 -0.66 -1.20 121.76 119.57 1h1a s ALA 65 Ca -0.08 1.52 -0.05 0.00 0.00 0.00 0.00 51.96 53.35 1h1a s ALA 65 Cb -0.05 -0.53 0.14 0.00 0.00 0.00 0.00 23.12 22.68 1h1a s ALA 65 CO -0.03 -0.33 0.37 0.34 0.00 0.00 0.00 175.76 176.10 1h1a s ASP 66 N -0.45 5.42 -0.26 0.00 -1.08 0.07 -4.78 116.67 115.60 1h1a s ASP 66 Ca -0.06 -2.41 -0.06 0.00 -0.52 0.00 0.00 52.55 49.50 1h1a s ASP 66 Cb -0.03 -1.90 -0.01 0.00 -1.46 0.00 0.00 42.92 39.53 1h1a s ASP 66 CO 0.05 -0.50 0.05 -0.47 0.52 0.00 0.00 175.17 174.82 1h1a s TYR 67 N 0.60 3.08 -0.54 -5.34 5.04 -1.26 -1.60 117.35 117.33 1h1a s TYR 67 Ca 0.12 -0.78 0.05 0.00 -2.44 0.00 0.00 57.07 54.03 1h1a s TYR 67 Cb -0.22 -2.21 0.20 0.00 0.35 0.00 0.00 41.96 40.08 1h1a s TYR 67 CO -0.04 -0.49 0.49 0.54 -1.34 0.00 0.00 175.55 174.71 1h1a n ARG 68 N 4.87 1.18 -2.37 4.97 1.74 -0.55 -5.04 116.66 121.46 1h1a n ARG 68 Ca -0.16 -3.84 -0.29 0.00 -0.77 0.00 0.00 57.85 52.80 1h1a n ARG 68 Cb 0.50 -1.87 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1h1a n ARG 68 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1h1a s PRO 69 N -1.07 3.58 -0.34 5.56 0.04 -1.26 -2.36 135.00 139.16 1h1a s PRO 69 Ca 0.32 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1h1a s PRO 69 Cb 0.06 -2.27 0.14 0.00 0.04 0.00 0.00 34.50 32.47 1h1a s PRO 69 CO -0.14 -0.33 0.27 1.21 0.04 0.00 0.00 177.00 178.05 1h1a s ASN 70 N -4.06 2.26 0.00 6.66 3.04 0.38 -4.94 114.94 118.28 1h1a s ASN 70 Ca 0.51 -1.65 0.00 0.00 0.04 0.00 0.00 52.86 51.75 1h1a s ASN 70 Cb -0.11 0.06 0.00 0.00 -1.54 0.00 0.00 41.25 39.67 1h1a s ASN 70 CO 0.47 -0.32 0.00 0.61 -3.04 0.00 0.00 177.10 174.82 1h1a n GLY 71 N 4.46 0.25 3.54 1.21 0.00 -1.26 -1.84 105.19 111.55 1h1a n GLY 71 Ca 0.07 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 1h1a n GLY 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h1a s ASN 72 N -4.00 6.37 0.02 1.61 2.47 -1.26 -0.57 114.94 119.58 1h1a s ASN 72 Ca 0.00 -0.20 -0.14 0.00 0.42 0.00 0.00 52.86 52.94 1h1a s ASN 72 Cb 0.00 -2.48 0.02 0.00 -1.45 0.00 0.00 41.25 37.34 1h1a s ASN 72 CO 0.00 -1.34 0.29 -0.55 -3.72 0.00 0.00 177.10 171.79 1h1a s SER 73 N 2.92 -0.13 0.08 -4.21 0.15 -1.26 -1.44 113.70 109.82 1h1a s SER 73 Ca 0.35 -0.10 0.05 0.00 0.70 0.00 0.00 55.95 56.95 1h1a s SER 73 Cb -0.11 0.33 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 1h1a s SER 73 CO 0.21 -0.54 -0.14 -0.31 1.20 0.00 0.00 173.24 173.66 1h1a s TYR 74 N -2.08 1.24 -0.19 3.44 4.12 -0.31 -0.48 117.35 123.09 1h1a s TYR 74 Ca -0.08 -0.50 0.01 0.00 0.02 0.00 0.00 57.07 56.52 1h1a s TYR 74 Cb -0.03 -0.68 0.04 0.00 -1.52 0.00 0.00 41.96 39.77 1h1a s TYR 74 CO -0.00 0.07 -0.11 -1.17 0.02 0.00 0.00 175.55 174.36 1h1a s LEU 75 N -1.95 2.13 0.03 -1.29 2.96 -0.30 -0.82 118.68 119.44 1h1a s LEU 75 Ca 0.01 -0.79 -0.27 0.00 -0.22 0.00 0.00 54.13 52.85 1h1a s LEU 75 Cb -0.08 -1.21 0.09 0.00 0.50 0.00 0.00 46.19 45.49 1h1a s LEU 75 CO 0.02 -0.13 0.79 0.00 -1.32 0.00 0.00 176.35 175.71 1h1a s ALA 76 N 1.42 -1.76 0.17 5.97 0.00 0.09 -1.47 121.76 126.18 1h1a s ALA 76 Ca 0.00 0.91 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 1h1a s ALA 76 Cb -0.15 0.45 -0.07 0.00 0.00 0.00 0.00 23.12 23.34 1h1a s ALA 76 CO -0.09 -0.66 1.14 0.08 0.00 0.00 0.00 175.76 176.23 1h1a s VAL 77 N -3.03 3.79 -0.01 0.00 1.01 -0.45 -0.07 120.40 121.62 1h1a s VAL 77 Ca 0.02 1.49 -0.01 0.00 0.00 0.00 0.00 61.98 63.49 1h1a s VAL 77 Cb -0.01 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1h1a s VAL 77 CO -0.08 0.23 0.03 -0.47 0.00 0.00 0.00 175.10 174.81 1h1a s TYR 78 N -0.03 -0.03 0.14 5.22 5.04 0.15 -0.93 117.35 126.91 1h1a s TYR 78 Ca 0.52 0.08 -0.17 0.00 -2.44 0.00 0.00 57.07 55.06 1h1a s TYR 78 Cb -0.30 -0.00 0.06 0.00 0.35 0.00 0.00 41.96 42.06 1h1a s TYR 78 CO 0.35 -0.02 0.83 0.41 -1.34 0.00 0.00 175.55 175.78 1h1a n GLY 79 N 3.13 0.72 3.17 8.97 0.00 -0.92 -0.35 105.19 119.90 1h1a n GLY 79 Ca -0.13 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 1h1a n GLY 79 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h1a s TRP 80 N -2.88 0.89 0.11 1.61 0.52 -0.92 -0.83 118.94 117.44 1h1a s TRP 80 Ca 0.18 -1.03 0.00 0.00 0.02 0.00 0.00 56.10 55.28 1h1a s TRP 80 Cb -0.02 -0.53 -0.04 0.00 -1.15 0.00 0.00 33.47 31.73 1h1a s TRP 80 CO 0.04 -0.28 -0.02 0.95 0.02 0.00 0.00 176.95 177.67 1h1a s THR 81 N -3.77 0.43 0.08 2.01 -4.23 -0.55 -0.50 115.64 109.11 1h1a s THR 81 Ca 0.16 -1.90 0.07 0.00 -1.18 0.00 0.00 61.69 58.84 1h1a s THR 81 Cb 0.06 -1.79 -0.03 0.00 1.34 0.00 0.00 72.50 72.08 1h1a s THR 81 CO -0.02 -0.75 -0.19 -0.13 -0.54 0.00 0.00 174.62 172.99 1h1a s ARG 82 N -3.92 1.06 -0.85 3.99 0.52 0.27 -1.55 118.95 118.46 1h1a s ARG 82 Ca 0.15 -1.05 -0.04 0.00 -0.52 0.00 0.00 55.73 54.27 1h1a s ARG 82 Cb 0.07 -1.22 -0.01 0.00 0.52 0.00 0.00 34.95 34.32 1h1a s ARG 82 CO -0.03 0.29 0.70 -1.71 0.02 0.00 0.00 175.30 174.56 1h1a n ASN 83 N 1.29 -6.42 -4.87 0.23 5.15 -1.26 -0.16 115.26 109.21 1h1a n ASN 83 Ca -0.20 -0.54 -0.30 0.00 -0.60 0.00 0.00 54.58 52.94 1h1a n ASN 83 Cb 0.54 -3.87 -0.01 0.00 -0.53 0.00 0.00 39.78 35.91 1h1a n ASN 83 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1h1a s PRO 84 N -4.18 3.71 -0.24 1.20 0.04 -1.26 -4.16 135.00 130.10 1h1a s PRO 84 Ca 0.11 0.59 -0.29 0.00 0.04 0.00 0.00 61.00 61.45 1h1a s PRO 84 Cb -0.03 -2.24 -0.00 0.00 0.04 0.00 0.00 34.50 32.27 1h1a s PRO 84 CO 0.81 -0.28 1.22 -1.17 0.04 0.00 0.00 177.00 177.62 1h1a s LEU 85 N -4.50 4.03 -0.00 -3.56 2.96 -1.25 -3.87 118.68 112.49 1h1a s LEU 85 Ca 0.53 1.39 0.00 0.00 -0.22 0.00 0.00 54.13 55.83 1h1a s LEU 85 Cb -0.10 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.05 1h1a s LEU 85 CO 0.41 -0.88 -0.01 -0.63 -1.32 0.00 0.00 176.35 173.92 1h1a s ILE 86 N 3.80 0.10 -0.20 6.68 -1.09 -0.60 -4.10 121.20 125.79 1h1a s ILE 86 Ca 0.53 -0.03 -0.04 0.00 -2.23 0.00 0.00 60.65 58.87 1h1a s ILE 86 Cb -0.18 -0.10 -0.02 0.00 -1.58 0.00 0.00 42.46 40.58 1h1a s ILE 86 CO 0.17 0.04 -0.02 -0.70 -1.23 0.00 0.00 174.94 173.19 1h1a s GLU 87 N 0.08 3.54 0.18 2.79 2.12 -1.01 -1.49 118.70 124.90 1h1a s GLU 87 Ca -0.01 -0.56 0.09 0.00 0.36 0.00 0.00 54.97 54.85 1h1a s GLU 87 Cb -0.02 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 1h1a s GLU 87 CO -0.00 -0.03 -0.18 1.52 -0.54 0.00 0.00 175.26 176.03 1h1a s TYR 88 N 1.08 1.84 0.01 5.30 -0.85 -0.01 -1.53 117.35 123.19 1h1a s TYR 88 Ca 0.02 -0.47 0.00 0.00 -0.52 0.00 0.00 57.07 56.09 1h1a s TYR 88 Cb -0.14 -0.90 -0.01 0.00 0.38 0.00 0.00 41.96 41.29 1h1a s TYR 88 CO 0.01 0.36 -0.02 0.71 -1.52 0.00 0.00 175.55 175.09 1h1a s TYR 89 N -2.20 0.14 -0.40 -3.49 1.51 -0.20 -2.17 117.35 110.53 1h1a s TYR 89 Ca 0.18 -0.27 0.02 0.00 -1.01 0.00 0.00 57.07 55.99 1h1a s TYR 89 Cb -0.05 -0.10 0.12 0.00 -0.11 0.00 0.00 41.96 41.82 1h1a s TYR 89 CO 0.07 -0.09 0.16 0.08 -1.11 0.00 0.00 175.55 174.66 1h1a s VAL 90 N -0.73 1.78 -0.37 0.71 1.01 -0.10 -1.57 120.40 121.13 1h1a s VAL 90 Ca -0.08 -2.41 -0.29 0.00 0.00 0.00 0.00 61.98 59.20 1h1a s VAL 90 Cb -0.05 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 34.06 1h1a s VAL 90 CO -0.00 -0.75 1.20 -0.69 0.00 0.00 0.00 175.10 174.86 1h1a s VAL 91 N 0.64 4.24 -0.07 2.92 1.01 0.12 -1.35 120.40 127.91 1h1a s VAL 91 Ca 0.14 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.48 1h1a s VAL 91 Cb -0.22 -4.37 -0.26 0.00 0.00 0.00 0.00 36.38 31.54 1h1a s VAL 91 CO -0.08 -0.67 0.57 -0.33 0.00 0.00 0.00 175.10 174.59 1h1a h GLU 92 N 9.09 0.18 -3.10 2.72 4.39 -1.55 -1.86 114.58 124.46 1h1a h GLU 92 Ca -0.24 -0.31 -0.06 0.00 0.34 0.00 0.00 59.36 59.10 1h1a h GLU 92 Cb 1.08 0.11 -0.15 0.00 -0.10 0.00 0.00 28.75 29.69 1h1a h GLU 92 CO 1.07 0.97 -0.03 0.45 -1.16 0.00 0.00 179.01 180.30 1h1a s SER 93 N -6.73 -0.33 0.27 1.42 0.15 -1.03 -1.16 113.70 106.30 1h1a s SER 93 Ca -0.14 -0.07 -0.13 0.00 0.70 0.00 0.00 55.95 56.30 1h1a s SER 93 Cb 0.07 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1h1a s SER 93 CO 0.81 -0.77 0.54 0.72 1.20 0.00 0.00 173.24 175.73 1h1a s PHE 94 N -3.06 0.32 0.00 3.44 -0.12 -1.26 -1.15 117.98 116.15 1h1a s PHE 94 Ca -0.02 -0.71 0.00 0.00 -0.05 0.00 0.00 56.93 56.15 1h1a s PHE 94 Cb 0.00 0.29 0.00 0.00 -0.63 0.00 0.00 43.02 42.69 1h1a s PHE 94 CO -0.07 -1.09 0.00 0.41 -0.05 0.00 0.00 175.22 174.43 1h1a n GLY 95 N -0.42 0.58 0.21 1.99 0.00 0.36 -4.93 105.19 102.99 1h1a n GLY 95 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1h1a n GLY 95 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1h1a h THR 96 N 0.00 0.09 -3.71 2.61 1.35 -1.14 -3.44 112.91 108.67 1h1a h THR 96 Ca 0.00 -1.10 -0.67 0.00 -0.55 0.00 0.00 66.41 64.09 1h1a h THR 96 Cb 0.00 2.02 -0.20 0.00 -1.73 0.00 0.00 68.15 68.24 1h1a h THR 96 CO 0.00 0.05 -0.54 -0.47 -0.25 0.00 0.00 175.52 174.31 1h1a s TYR 97 N -3.21 3.19 -0.31 4.73 5.04 -1.26 -4.98 117.35 120.55 1h1a s TYR 97 Ca 0.06 -0.33 -0.27 0.00 -2.44 0.00 0.00 57.07 54.09 1h1a s TYR 97 Cb 0.05 -2.38 0.01 0.00 0.35 0.00 0.00 41.96 40.00 1h1a s TYR 97 CO 0.67 -0.36 0.98 0.34 -1.34 0.00 0.00 175.55 175.84 1h1a s ASP 98 N 1.67 6.85 0.63 4.32 -1.08 -1.26 -4.86 116.67 122.93 1h1a s ASP 98 Ca 0.06 0.92 0.33 0.00 -0.52 0.00 0.00 52.55 53.34 1h1a s ASP 98 Cb -0.17 -2.50 1.85 0.00 -1.46 0.00 0.00 42.92 40.65 1h1a s ASP 98 CO 0.08 -0.79 2.13 -0.65 0.52 0.00 0.00 175.17 176.46 1h1a h PRO 99 N 8.09 0.00 0.00 4.34 0.11 -1.98 -1.34 132.00 141.22 1h1a h PRO 99 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1h1a h PRO 99 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1h1a h PRO 99 CO 0.98 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.43 1h1a h SER 100 N 0.00 0.00 -1.64 -2.05 4.64 -1.97 -3.43 113.55 109.10 1h1a h SER 100 Ca 0.04 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.71 1h1a h SER 100 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1h1a h SER 100 CO -0.00 0.00 1.22 0.41 -0.87 0.00 0.00 176.83 177.59 1h1a n THR 101 N -2.35 0.39 -1.12 2.95 -1.04 -0.51 -1.24 114.28 111.35 1h1a n THR 101 Ca 0.03 -0.19 -0.04 0.00 -2.04 0.00 0.00 64.05 61.81 1h1a n THR 101 Cb 0.29 -1.78 -0.02 0.00 -1.82 0.00 0.00 70.33 67.00 1h1a n THR 101 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1h1a n GLY 102 N 5.25 0.57 3.91 3.41 0.00 -1.26 -4.99 105.19 112.07 1h1a n GLY 102 Ca 0.30 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1h1a n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h1a s ALA 103 N -1.71 3.58 -0.41 4.61 0.00 -0.37 -5.04 121.76 122.42 1h1a s ALA 103 Ca 0.00 -0.57 -0.27 0.00 0.00 0.00 0.00 51.96 51.12 1h1a s ALA 103 Cb 0.00 -2.35 0.02 0.00 0.00 0.00 0.00 23.12 20.80 1h1a s ALA 103 CO 0.00 0.10 0.99 0.99 0.00 0.00 0.00 175.76 177.84 1h1a s THR 104 N -2.23 4.47 0.14 0.00 2.01 -0.95 -4.91 115.64 114.17 1h1a s THR 104 Ca 0.44 1.15 -0.30 0.00 0.31 0.00 0.00 61.69 63.29 1h1a s THR 104 Cb -0.10 -4.42 -0.07 0.00 0.01 0.00 0.00 72.50 67.91 1h1a s THR 104 CO 0.33 -0.70 1.19 -0.60 -0.69 0.00 0.00 174.62 174.15 1h1a s ARG 105 N 3.76 4.48 -0.20 4.92 3.52 -1.26 -1.47 118.95 132.70 1h1a s ARG 105 Ca 0.41 1.83 0.12 0.00 -0.13 0.00 0.00 55.73 57.96 1h1a s ARG 105 Cb -0.11 -3.28 0.43 0.00 -1.56 0.00 0.00 34.95 30.43 1h1a s ARG 105 CO 0.23 -0.13 1.21 -1.33 -0.81 0.00 0.00 175.30 174.47 1h1a n MET 106 N 2.96 1.67 0.00 5.12 2.81 0.17 -4.96 117.12 124.90 1h1a n MET 106 Ca 0.06 -3.28 0.00 0.00 -1.81 0.00 0.00 57.70 52.66 1h1a n MET 106 Cb 0.45 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 1h1a n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1h1a n GLY 107 N -0.91 -0.97 3.57 3.03 0.00 -1.25 -4.77 105.19 103.89 1h1a n GLY 107 Ca 0.20 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 1h1a n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h1a s SER 108 N -4.00 -0.16 -0.05 1.61 1.04 -1.26 -0.27 113.70 110.60 1h1a s SER 108 Ca 0.00 -0.70 -0.05 0.00 0.48 0.00 0.00 55.95 55.68 1h1a s SER 108 Cb 0.00 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.72 1h1a s SER 108 CO 0.00 -1.10 0.14 0.54 0.98 0.00 0.00 173.24 173.80 1h1a s VAL 109 N -3.94 -0.00 -0.20 5.02 0.11 0.56 -4.91 120.40 117.04 1h1a s VAL 109 Ca 0.15 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.16 1h1a s VAL 109 Cb -0.01 -0.21 -0.02 0.00 -1.53 0.00 0.00 36.38 34.61 1h1a s VAL 109 CO 0.03 0.00 -0.02 0.42 -3.33 0.00 0.00 175.10 172.20 1h1a s THR 110 N 0.12 3.75 -0.12 5.04 -4.23 -1.26 -0.02 115.64 118.91 1h1a s THR 110 Ca -0.00 -0.38 -0.29 0.00 -1.18 0.00 0.00 61.69 59.83 1h1a s THR 110 Cb -0.01 -2.69 0.08 0.00 1.34 0.00 0.00 72.50 71.22 1h1a s THR 110 CO -0.00 0.44 0.76 0.28 -0.54 0.00 0.00 174.62 175.55 1h1a s THR 111 N 1.03 0.00 -1.46 3.99 -1.32 0.01 -4.97 115.64 112.91 1h1a s THR 111 Ca 0.01 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.38 1h1a s THR 111 Cb -0.14 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.90 1h1a s THR 111 CO 0.01 0.00 0.99 0.47 -2.21 0.00 0.00 174.62 173.88 1h1a n ASP 112 N 1.28 -5.49 0.00 8.08 8.00 -1.26 -1.69 116.55 125.47 1h1a n ASP 112 Ca -0.16 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.72 1h1a n ASP 112 Cb 0.57 -4.36 0.00 0.00 -0.02 0.00 0.00 41.12 37.30 1h1a n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h1a n GLY 113 N -1.76 0.77 3.44 0.44 0.00 -1.26 -4.89 105.19 101.93 1h1a n GLY 113 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1h1a n GLY 113 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h1a s GLY 114 N -2.00 2.17 -0.05 -0.02 0.00 -0.68 -5.15 107.32 101.59 1h1a s GLY 114 Ca 0.00 -1.76 0.06 0.00 0.00 0.00 0.00 44.72 43.02 1h1a s GLY 114 CO 0.00 -1.77 -0.23 -1.59 0.00 0.00 0.00 173.10 169.51 1h1a s THR 115 N -3.37 1.88 -0.04 0.90 2.01 -1.26 -0.81 115.64 114.94 1h1a s THR 115 Ca 0.33 -0.98 0.04 0.00 0.31 0.00 0.00 61.69 61.39 1h1a s THR 115 Cb 0.07 -1.59 0.00 0.00 0.01 0.00 0.00 72.50 70.98 1h1a s THR 115 CO 0.15 0.53 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.15 1h1a s TYR 116 N -0.17 1.49 0.10 4.92 1.51 0.96 -1.17 117.35 125.00 1h1a s TYR 116 Ca -0.02 -0.44 -0.17 0.00 -1.01 0.00 0.00 57.07 55.44 1h1a s TYR 116 Cb -0.13 -1.03 -0.07 0.00 -0.11 0.00 0.00 41.96 40.63 1h1a s TYR 116 CO 0.03 -0.17 0.55 -0.80 -1.11 0.00 0.00 175.55 174.05 1h1a s ASN 117 N 0.17 6.94 -0.13 2.29 0.01 -0.48 -0.32 114.94 123.42 1h1a s ASN 117 Ca -0.05 1.16 -0.07 0.00 -0.71 0.00 0.00 52.86 53.19 1h1a s ASN 117 Cb -0.11 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.19 1h1a s ASN 117 CO 0.02 0.21 0.12 -0.63 -1.51 0.00 0.00 177.10 175.30 1h1a s ILE 118 N -1.26 5.30 0.06 0.60 1.01 0.63 -0.89 121.20 126.65 1h1a s ILE 118 Ca 0.32 0.13 -0.03 0.00 0.00 0.00 0.00 60.65 61.07 1h1a s ILE 118 Cb -0.17 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 1h1a s ILE 118 CO 0.18 0.58 0.04 -0.31 0.00 0.00 0.00 174.94 175.43 1h1a s TYR 119 N -0.71 0.40 -0.03 3.97 1.51 -0.17 0.45 117.35 122.77 1h1a s TYR 119 Ca 0.13 -0.90 0.03 0.00 -1.01 0.00 0.00 57.07 55.32 1h1a s TYR 119 Cb -0.12 -0.29 -0.00 0.00 -0.11 0.00 0.00 41.96 41.45 1h1a s TYR 119 CO 0.03 -0.42 -0.12 0.50 -1.11 0.00 0.00 175.55 174.42 1h1a s ARG 120 N -3.81 1.24 0.33 -0.62 3.52 -0.54 -0.56 118.95 118.51 1h1a s ARG 120 Ca 0.06 -0.43 0.04 0.00 -0.13 0.00 0.00 55.73 55.27 1h1a s ARG 120 Cb 0.06 -1.13 -0.03 0.00 -1.56 0.00 0.00 34.95 32.29 1h1a s ARG 120 CO -0.10 0.18 0.18 0.95 -0.81 0.00 0.00 175.30 175.70 1h1a s THR 121 N 0.08 0.29 0.00 4.11 -4.23 -0.60 -2.24 115.64 113.06 1h1a s THR 121 Ca -0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1h1a s THR 121 Cb -0.09 -2.47 -0.00 0.00 1.34 0.00 0.00 72.50 71.27 1h1a s THR 121 CO 0.01 0.00 -0.01 -1.58 -0.54 0.00 0.00 174.62 172.50 1h1a s GLN 122 N -3.71 0.09 -0.16 3.99 0.74 -1.26 -1.10 119.66 118.24 1h1a s GLN 122 Ca 0.35 -0.07 -0.01 0.00 0.05 0.00 0.00 55.36 55.68 1h1a s GLN 122 Cb 0.04 -0.06 -0.01 0.00 1.10 0.00 0.00 33.01 34.08 1h1a s GLN 122 CO 0.19 0.01 -0.11 1.03 -0.55 0.00 0.00 175.29 175.87 1h1a s ARG 123 N -0.11 3.36 -0.15 1.67 0.52 -0.17 -4.98 118.95 119.09 1h1a s ARG 123 Ca -0.01 -0.68 -0.05 0.00 -0.52 0.00 0.00 55.73 54.48 1h1a s ARG 123 Cb -0.01 -2.73 -0.03 0.00 0.52 0.00 0.00 34.95 32.70 1h1a s ARG 123 CO -0.00 0.08 0.02 0.08 0.02 0.00 0.00 175.30 175.49 1h1a s VAL 124 N 0.71 4.39 -1.40 3.52 1.01 -1.26 -1.51 120.40 125.85 1h1a s VAL 124 Ca -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1h1a s VAL 124 Cb -0.15 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1h1a s VAL 124 CO 0.02 0.50 0.39 0.59 0.00 0.00 0.00 175.10 176.60 1h1a n ASN 125 N 3.26 -0.49 -4.59 3.32 5.03 -1.08 -4.93 115.26 115.77 1h1a n ASN 125 Ca -0.17 -1.05 -0.25 0.00 0.87 0.00 0.00 54.58 53.98 1h1a n ASN 125 Cb 0.53 -2.87 -0.09 0.00 -1.02 0.00 0.00 39.78 36.34 1h1a n ASN 125 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1h1a s ALA 126 N -3.98 3.01 0.40 5.41 0.00 0.15 -4.76 121.76 121.99 1h1a s ALA 126 Ca 0.04 -1.58 -0.27 0.00 0.00 0.00 0.00 51.96 50.15 1h1a s ALA 126 Cb -0.02 -0.71 -0.09 0.00 0.00 0.00 0.00 23.12 22.30 1h1a s ALA 126 CO 0.90 0.37 1.33 -1.25 0.00 0.00 0.00 175.76 177.12 1h1a s PRO 127 N -3.22 4.01 0.34 0.00 0.04 -1.26 -1.10 135.00 133.81 1h1a s PRO 127 Ca 0.28 2.23 -0.11 0.00 0.04 0.00 0.00 61.00 63.45 1h1a s PRO 127 Cb -0.07 -2.82 0.02 0.00 0.04 0.00 0.00 34.50 31.67 1h1a s PRO 127 CO 0.17 -0.48 0.62 -1.54 0.04 0.00 0.00 177.00 175.81 1h1a s SER 128 N -0.62 0.32 0.00 6.66 1.04 -0.53 -4.88 113.70 115.70 1h1a s SER 128 Ca 0.56 -1.20 0.10 0.00 0.48 0.00 0.00 55.95 55.89 1h1a s SER 128 Cb -0.40 0.73 0.49 0.00 0.10 0.00 0.00 66.02 66.94 1h1a s SER 128 CO 0.52 -1.43 1.27 2.30 0.98 0.00 0.00 173.24 176.88 1h1a n ILE 129 N -0.52 1.00 -0.75 -1.02 -5.35 -1.26 -1.52 119.36 109.95 1h1a n ILE 129 Ca -0.03 0.25 0.07 0.00 -0.27 0.00 0.00 62.75 62.77 1h1a n ILE 129 Cb 0.61 -1.08 0.16 0.00 -1.74 0.00 0.00 39.64 37.59 1h1a n ILE 129 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1h1a n GLU 130 N -1.38 2.31 0.00 6.28 1.02 -1.26 -5.10 120.64 122.50 1h1a n GLU 130 Ca 0.04 -2.41 0.00 0.00 -0.02 0.00 0.00 57.16 54.77 1h1a n GLU 130 Cb 0.10 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1h1a n GLU 130 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h1a n GLY 131 N -0.72 -1.73 3.64 0.62 0.00 -0.57 -4.84 105.19 101.58 1h1a n GLY 131 Ca 0.14 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 1h1a n GLY 131 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h1a s THR 132 N 0.00 4.02 0.22 2.61 2.01 -1.26 -1.45 115.64 121.79 1h1a s THR 132 Ca 0.00 1.18 -0.08 0.00 0.31 0.00 0.00 61.69 63.10 1h1a s THR 132 Cb 0.00 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 1h1a s THR 132 CO 0.00 -0.32 0.34 -0.54 -0.69 0.00 0.00 174.62 173.41 1h1a s LYS 133 N 4.13 1.37 -0.18 4.92 -0.14 -0.26 -4.85 119.74 124.73 1h1a s LYS 133 Ca 0.61 -1.35 -0.02 0.00 -1.36 0.00 0.00 55.97 53.85 1h1a s LYS 133 Cb -0.21 0.39 -0.01 0.00 -1.68 0.00 0.00 37.83 36.32 1h1a s LYS 133 CO 0.23 -0.53 -0.09 0.99 -0.76 0.00 0.00 175.35 175.19 1h1a s THR 134 N -4.05 3.13 0.21 2.17 2.01 -1.26 -0.68 115.64 117.17 1h1a s THR 134 Ca 0.27 -0.60 -0.15 0.00 0.31 0.00 0.00 61.69 61.52 1h1a s THR 134 Cb 0.02 -2.37 0.01 0.00 0.01 0.00 0.00 72.50 70.17 1h1a s THR 134 CO 0.08 0.48 0.48 0.72 -0.69 0.00 0.00 174.62 175.69 1h1a s PHE 135 N 0.98 0.12 0.30 4.92 -0.71 -0.57 -4.98 117.98 118.04 1h1a s PHE 135 Ca -0.01 -0.48 -0.05 0.00 -1.04 0.00 0.00 56.93 55.35 1h1a s PHE 135 Cb -0.15 0.28 -0.05 0.00 -1.21 0.00 0.00 43.02 41.89 1h1a s PHE 135 CO -0.01 -0.93 0.57 0.71 -1.34 0.00 0.00 175.22 174.21 1h1a s TYR 136 N -3.94 3.48 -0.05 3.49 2.02 -1.26 -1.00 117.35 120.09 1h1a s TYR 136 Ca 0.15 0.65 0.06 0.00 -0.37 0.00 0.00 57.07 57.56 1h1a s TYR 136 Cb -0.01 -2.11 -0.01 0.00 -0.40 0.00 0.00 41.96 39.43 1h1a s TYR 136 CO 0.02 0.15 -0.23 -0.65 -1.57 0.00 0.00 175.55 173.27 1h1a s GLN 137 N -3.61 2.38 -0.02 -0.62 -0.21 -0.26 -2.41 119.66 114.90 1h1a s GLN 137 Ca 0.44 -0.85 0.02 0.00 0.02 0.00 0.00 55.36 55.00 1h1a s GLN 137 Cb -0.11 -2.03 -0.03 0.00 1.00 0.00 0.00 33.01 31.84 1h1a s GLN 137 CO 0.30 0.36 -0.05 0.71 -2.12 0.00 0.00 175.29 174.49 1h1a s TYR 138 N -0.14 2.94 0.03 0.91 2.02 -0.58 -1.55 117.35 120.97 1h1a s TYR 138 Ca -0.03 0.01 0.03 0.00 -0.37 0.00 0.00 57.07 56.70 1h1a s TYR 138 Cb -0.13 -1.65 -0.02 0.00 -0.40 0.00 0.00 41.96 39.76 1h1a s TYR 138 CO 0.03 0.38 -0.08 -1.58 -1.57 0.00 0.00 175.55 172.73 1h1a s TRP 139 N -0.96 0.73 -0.20 2.71 0.52 0.27 -1.03 118.94 120.98 1h1a s TRP 139 Ca 0.16 -0.33 -0.01 0.00 0.02 0.00 0.00 56.10 55.94 1h1a s TRP 139 Cb -0.11 -0.44 0.05 0.00 -1.15 0.00 0.00 33.47 31.82 1h1a s TRP 139 CO 0.06 -0.03 -0.03 -1.12 0.02 0.00 0.00 176.95 175.85 1h1a s SER 140 N -0.99 3.24 -0.23 2.95 0.01 -0.61 -1.00 113.70 117.06 1h1a s SER 140 Ca -0.03 -0.90 -0.03 0.00 1.31 0.00 0.00 55.95 56.29 1h1a s SER 140 Cb -0.07 -0.91 0.01 0.00 0.21 0.00 0.00 66.02 65.25 1h1a s SER 140 CO 0.00 -0.24 -0.06 -0.69 0.41 0.00 0.00 173.24 172.66 1h1a s VAL 141 N 1.61 3.10 0.26 3.43 1.01 -0.07 0.11 120.40 129.85 1h1a s VAL 141 Ca -0.02 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 1h1a s VAL 141 Cb -0.17 -2.47 -0.11 0.00 0.00 0.00 0.00 36.38 33.64 1h1a s VAL 141 CO -0.07 0.34 1.50 -0.60 0.00 0.00 0.00 175.10 176.27 1h1a s ARG 142 N 1.41 4.21 0.33 2.72 3.52 -0.70 -1.38 118.95 129.06 1h1a s ARG 142 Ca 0.04 2.41 0.26 0.00 -0.13 0.00 0.00 55.73 58.31 1h1a s ARG 142 Cb -0.15 -3.08 1.00 0.00 -1.56 0.00 0.00 34.95 31.17 1h1a s ARG 142 CO -0.04 -0.51 1.78 1.79 -0.81 0.00 0.00 175.30 177.51 1h1a h THR 143 N 3.49 0.00 -3.31 4.11 1.35 -1.50 -3.41 112.91 113.65 1h1a h THR 143 Ca -0.46 -0.38 -0.46 0.00 -0.55 0.00 0.00 66.41 64.56 1h1a h THR 143 Cb 1.22 1.23 -0.36 0.00 -1.73 0.00 0.00 68.15 68.51 1h1a h THR 143 CO 0.79 0.00 -0.78 -0.55 -0.25 0.00 0.00 175.52 174.72 1h1a s SER 144 N -4.73 1.58 0.34 5.36 0.15 -1.26 -5.11 113.70 110.03 1h1a s SER 144 Ca 0.05 -0.18 -0.28 0.00 0.70 0.00 0.00 55.95 56.25 1h1a s SER 144 Cb 0.09 -0.59 -0.09 0.00 -1.71 0.00 0.00 66.02 63.72 1h1a s SER 144 CO 0.48 -0.11 1.20 -0.54 1.20 0.00 0.00 173.24 175.47 1h1a s LYS 145 N 1.47 4.31 0.11 5.44 1.02 -1.26 -4.94 119.74 125.89 1h1a s LYS 145 Ca -0.02 1.97 -0.09 0.00 0.02 0.00 0.00 55.97 57.85 1h1a s LYS 145 Cb -0.13 -2.95 -0.00 0.00 -0.52 0.00 0.00 37.83 34.23 1h1a s LYS 145 CO -0.04 -0.14 0.23 -0.98 -0.92 0.00 0.00 175.35 173.50 1h1a s ARG 146 N -1.90 0.93 -0.31 1.68 1.70 -0.31 -5.00 118.95 115.75 1h1a s ARG 146 Ca 0.51 -0.99 0.14 0.00 -0.47 0.00 0.00 55.73 54.92 1h1a s ARG 146 Cb -0.34 0.36 0.47 0.00 -0.57 0.00 0.00 34.95 34.87 1h1a s ARG 146 CO 0.44 -0.31 1.11 0.25 -1.08 0.00 0.00 175.30 175.71 1h1a n THR 147 N -0.11 1.81 0.00 4.99 -2.24 -1.26 -3.87 114.28 113.60 1h1a n THR 147 Ca -0.13 -3.67 0.00 0.00 -2.27 0.00 0.00 64.05 57.97 1h1a n THR 147 Cb 0.63 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1h1a n THR 147 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h1a n GLY 148 N -0.54 2.70 0.00 3.38 0.00 -1.26 -1.65 105.19 107.82 1h1a n GLY 148 Ca 0.24 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1h1a n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h1a n GLY 149 N -0.64 0.63 3.52 -0.02 0.00 -0.17 -4.99 105.19 103.52 1h1a n GLY 149 Ca 0.00 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 1h1a n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h1a s THR 150 N -3.08 3.29 -0.20 2.61 2.01 -1.26 -1.01 115.64 118.00 1h1a s THR 150 Ca 0.00 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.36 1h1a s THR 150 Cb 0.00 -2.31 0.05 0.00 0.01 0.00 0.00 72.50 70.24 1h1a s THR 150 CO 0.00 0.59 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.75 1h1a s VAL 151 N -0.77 1.51 -0.75 3.82 1.01 0.27 -4.78 120.40 120.72 1h1a s VAL 151 Ca 0.12 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 1h1a s VAL 151 Cb -0.11 -1.66 0.11 0.00 0.00 0.00 0.00 36.38 34.72 1h1a s VAL 151 CO 0.01 0.08 0.93 -0.89 0.00 0.00 0.00 175.10 175.23 1h1a s THR 152 N 1.44 4.71 0.52 3.92 2.01 -1.26 -0.77 115.64 126.21 1h1a s THR 152 Ca -0.02 -1.14 0.21 0.00 0.31 0.00 0.00 61.69 61.05 1h1a s THR 152 Cb -0.17 -4.65 0.35 0.00 0.01 0.00 0.00 72.50 68.04 1h1a s THR 152 CO -0.07 -1.35 2.05 0.24 -0.69 0.00 0.00 174.62 174.80 1h1a h MET 153 N 9.06 0.02 -0.74 4.92 2.86 -1.76 -2.19 114.93 127.10 1h1a h MET 153 Ca -0.10 -0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1h1a h MET 153 Cb 1.06 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.67 1h1a h MET 153 CO 1.10 0.01 0.49 0.00 1.06 0.00 0.00 176.91 179.58 1h1a h ALA 154 N 1.83 1.50 -0.24 6.32 0.00 -1.73 -0.55 119.26 126.40 1h1a h ALA 154 Ca 0.16 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1h1a h ALA 154 Cb 0.60 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1h1a h ALA 154 CO -0.01 0.45 -0.31 -0.91 0.00 0.00 0.00 179.25 178.47 1h1a h ASN 155 N 0.98 0.50 -0.00 0.00 2.35 -1.71 -1.29 115.58 116.41 1h1a h ASN 155 Ca 0.28 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1h1a h ASN 155 Cb -0.06 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.17 1h1a h ASN 155 CO -0.07 0.79 -0.09 0.45 -1.65 0.00 0.00 177.43 176.87 1h1a h HIS 156 N 0.42 0.10 -0.61 1.19 3.86 -1.49 -2.59 115.15 116.03 1h1a h HIS 156 Ca 0.05 -0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1h1a h HIS 156 Cb 0.76 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.18 1h1a h HIS 156 CO 0.03 0.81 0.37 0.74 0.86 0.00 0.00 177.93 180.74 1h1a h PHE 157 N -0.65 0.69 -0.34 2.45 0.04 -1.12 -0.78 116.94 117.24 1h1a h PHE 157 Ca -0.01 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.69 1h1a h PHE 157 Cb 0.83 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.75 1h1a h PHE 157 CO 0.18 0.38 -0.16 -0.91 -0.60 0.00 0.00 178.31 177.21 1h1a h ASN 158 N 0.72 0.60 -0.63 2.17 2.35 -1.33 0.74 115.58 120.20 1h1a h ASN 158 Ca 0.25 -0.18 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 1h1a h ASN 158 Cb 0.05 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1h1a h ASN 158 CO -0.12 0.77 0.10 0.00 -1.65 0.00 0.00 177.43 176.54 1h1a h ALA 159 N 1.28 0.84 -0.04 -0.83 0.00 -0.98 -1.09 119.26 118.43 1h1a h ALA 159 Ca 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1h1a h ALA 159 Cb 0.58 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1h1a h ALA 159 CO 0.04 0.60 -0.01 -1.49 0.00 0.00 0.00 179.25 178.38 1h1a h TRP 160 N 0.95 0.10 -0.60 0.00 6.55 -0.78 -2.45 115.95 119.72 1h1a h TRP 160 Ca 0.19 -0.02 0.05 0.00 0.95 0.00 0.00 58.89 60.06 1h1a h TRP 160 Cb 0.44 -0.02 -0.05 0.00 -0.86 0.00 0.00 29.16 28.66 1h1a h TRP 160 CO 0.03 0.45 0.32 0.00 -1.05 0.00 0.00 178.44 178.18 1h1a h ARG 161 N -0.28 0.58 0.00 0.49 3.08 -0.77 0.01 114.38 117.49 1h1a h ARG 161 Ca 0.01 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 1h1a h ARG 161 Cb 0.42 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1h1a h ARG 161 CO 0.00 0.38 -0.26 1.96 -1.07 0.00 0.00 179.97 180.98 1h1a h GLN 162 N 0.60 0.00 -0.01 0.04 4.20 -1.20 -1.45 115.11 117.29 1h1a h GLN 162 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1h1a h GLN 162 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1h1a h GLN 162 CO -0.18 0.26 0.00 0.00 -0.67 0.00 0.00 178.83 178.25 1h1a n ALA 163 N -2.43 2.61 -0.48 3.87 0.00 -0.63 -4.86 120.51 118.60 1h1a n ALA 163 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1h1a n ALA 163 Cb 0.33 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1h1a n ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h1a n GLY 164 N 0.83 0.74 3.33 0.00 0.00 -0.54 -5.03 105.19 104.53 1h1a n GLY 164 Ca 0.15 -0.16 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1h1a n GLY 164 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h1a s LEU 165 N 0.00 6.53 0.40 0.99 1.43 -0.11 -5.00 118.68 122.93 1h1a s LEU 165 Ca 0.00 -2.45 -0.26 0.00 -1.03 0.00 0.00 54.13 50.39 1h1a s LEU 165 Cb 0.00 -2.22 -0.09 0.00 0.03 0.00 0.00 46.19 43.91 1h1a s LEU 165 CO 0.00 -0.67 1.32 -1.10 0.23 0.00 0.00 176.35 176.13 1h1a s GLN 166 N 0.64 3.97 -0.00 1.70 -0.21 -1.26 -3.40 119.66 121.09 1h1a s GLN 166 Ca 0.15 2.19 0.04 0.00 0.02 0.00 0.00 55.36 57.76 1h1a s GLN 166 Cb -0.14 -2.77 -0.03 0.00 1.00 0.00 0.00 33.01 31.07 1h1a s GLN 166 CO -0.06 -0.50 -0.12 -0.51 -2.12 0.00 0.00 175.29 171.97 1h1a s LEU 167 N -2.42 2.89 0.00 2.90 1.43 -1.26 -4.87 118.68 117.35 1h1a s LEU 167 Ca 0.57 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 1h1a s LEU 167 Cb -0.39 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1h1a s LEU 167 CO 0.50 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.99 1h1a n GLY 168 N 1.80 1.53 3.73 -3.19 0.00 -1.25 -4.67 105.19 103.14 1h1a n GLY 168 Ca -0.16 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 1h1a n GLY 168 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h1a s SER 169 N -1.00 7.47 0.23 1.61 0.01 0.77 -4.67 113.70 118.12 1h1a s SER 169 Ca 0.00 1.80 -0.31 0.00 1.31 0.00 0.00 55.95 58.75 1h1a s SER 169 Cb 0.00 -2.59 -0.11 0.00 0.21 0.00 0.00 66.02 63.53 1h1a s SER 169 CO 0.00 -0.10 1.58 -1.00 0.41 0.00 0.00 173.24 174.13 1h1a s HIS 170 N 0.11 2.92 0.00 2.43 0.09 -1.26 -0.57 115.29 119.02 1h1a s HIS 170 Ca 0.48 0.71 0.00 0.00 -0.00 0.00 0.00 55.06 56.24 1h1a s HIS 170 Cb -0.23 -3.99 0.00 0.00 -0.00 0.00 0.00 32.58 28.35 1h1a s HIS 170 CO 0.30 -3.49 0.00 -3.47 -0.00 0.00 0.00 174.74 168.08 1h1a n ASP 171 N 3.04 0.00 -4.76 1.40 2.03 0.34 -4.51 116.55 114.09 1h1a n ASP 171 Ca 0.11 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.11 1h1a n ASP 171 Cb 0.38 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.88 1h1a n ASP 171 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1h1a s TYR 172 N 4.38 2.57 -0.23 -0.67 -0.85 -1.26 -0.42 117.35 120.87 1h1a s TYR 172 Ca 0.00 1.40 -0.03 0.00 -0.52 0.00 0.00 57.07 57.93 1h1a s TYR 172 Cb 0.00 -3.07 0.12 0.00 0.38 0.00 0.00 41.96 39.38 1h1a s TYR 172 CO 0.00 -1.93 0.30 -1.14 -1.52 0.00 0.00 175.55 171.26 1h1a s GLN 173 N -4.95 0.28 0.19 -3.49 0.74 0.20 -2.17 119.66 110.46 1h1a s GLN 173 Ca 0.62 0.31 0.03 0.00 0.05 0.00 0.00 55.36 56.36 1h1a s GLN 173 Cb -0.17 -0.82 -0.05 0.00 1.10 0.00 0.00 33.01 33.07 1h1a s GLN 173 CO 0.56 -0.69 -0.01 0.96 -0.55 0.00 0.00 175.29 175.56 1h1a s ILE 174 N 2.43 0.86 -0.50 -2.34 -4.36 0.52 -0.26 121.20 117.55 1h1a s ILE 174 Ca 0.10 -2.01 -0.18 0.00 -0.26 0.00 0.00 60.65 58.30 1h1a s ILE 174 Cb -0.15 -2.17 0.07 0.00 1.25 0.00 0.00 42.46 41.45 1h1a s ILE 174 CO -0.16 -0.45 0.54 -0.69 0.24 0.00 0.00 174.94 174.42 1h1a s VAL 175 N -3.54 5.01 0.29 8.37 1.01 -0.05 0.31 120.40 131.79 1h1a s VAL 175 Ca 0.25 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.57 1h1a s VAL 175 Cb 0.05 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1h1a s VAL 175 CO 0.05 -0.74 0.09 0.00 0.00 0.00 0.00 175.10 174.51 1h1a s ALA 176 N 2.26 3.38 -0.03 5.51 0.00 0.90 -3.21 121.76 130.57 1h1a s ALA 176 Ca 0.11 -1.66 0.08 0.00 0.00 0.00 0.00 51.96 50.48 1h1a s ALA 176 Cb -0.21 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 1h1a s ALA 176 CO 0.10 0.18 -0.26 0.99 0.00 0.00 0.00 175.76 176.77 1h1a s THR 177 N -2.32 2.07 0.05 0.00 2.01 -0.46 -0.74 115.64 116.26 1h1a s THR 177 Ca 0.34 -1.09 0.02 0.00 0.31 0.00 0.00 61.69 61.27 1h1a s THR 177 Cb -0.05 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 1h1a s THR 177 CO 0.22 0.58 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.94 1h1a s GLU 178 N -0.52 0.59 -0.05 4.92 2.12 0.00 -1.58 118.70 124.18 1h1a s GLU 178 Ca 0.07 -0.84 -0.14 0.00 0.36 0.00 0.00 54.97 54.42 1h1a s GLU 178 Cb -0.11 -0.34 0.03 0.00 0.26 0.00 0.00 34.13 33.97 1h1a s GLU 178 CO -0.00 0.06 0.33 0.20 -0.54 0.00 0.00 175.26 175.30 1h1a s GLY 179 N -1.74 -0.19 -0.14 -1.50 0.00 -0.22 -1.17 107.32 102.37 1h1a s GLY 179 Ca -0.07 0.54 -0.04 0.00 0.00 0.00 0.00 44.72 45.15 1h1a s GLY 179 CO 0.00 0.35 0.08 -0.47 0.00 0.00 0.00 173.10 173.06 1h1a s TYR 180 N -0.86 0.17 -1.58 1.90 5.04 -0.52 -1.72 117.35 119.77 1h1a s TYR 180 Ca -0.09 -0.18 -0.15 0.00 -2.44 0.00 0.00 57.07 54.21 1h1a s TYR 180 Cb -0.04 -0.64 0.11 0.00 0.35 0.00 0.00 41.96 41.73 1h1a s TYR 180 CO 0.03 -0.43 0.91 0.66 -1.34 0.00 0.00 175.55 175.38 1h1a n TYR 181 N 5.28 -2.12 -4.48 4.97 4.02 0.33 -4.22 117.16 120.94 1h1a n TYR 181 Ca -0.06 0.86 -0.22 0.00 -0.01 0.00 0.00 57.90 58.47 1h1a n TYR 181 Cb 0.49 -3.62 -0.05 0.00 -0.02 0.00 0.00 39.34 36.14 1h1a n TYR 181 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1h1a n SER 182 N -2.75 2.30 -4.02 7.72 3.41 -1.24 -4.70 113.62 114.34 1h1a n SER 182 Ca 0.06 -2.63 -0.09 0.00 -0.26 0.00 0.00 58.87 55.94 1h1a n SER 182 Cb 0.51 0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 64.84 1h1a n SER 182 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1h1a s SER 183 N -2.98 0.16 0.00 4.04 1.04 -0.77 -3.81 113.70 111.38 1h1a s SER 183 Ca 0.06 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1h1a s SER 183 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1h1a s SER 183 CO 0.04 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.06 1h1a n GLY 184 N -0.15 -0.34 3.19 7.32 0.00 -0.13 -0.47 105.19 114.61 1h1a n GLY 184 Ca -0.08 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 1h1a n GLY 184 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h1a s SER 185 N -4.00 0.02 -0.28 1.61 1.04 -0.99 -1.29 113.70 109.81 1h1a s SER 185 Ca 0.00 -0.37 -0.22 0.00 0.48 0.00 0.00 55.95 55.84 1h1a s SER 185 Cb 0.00 0.30 0.09 0.00 0.10 0.00 0.00 66.02 66.51 1h1a s SER 185 CO 0.00 -0.58 0.79 0.00 0.98 0.00 0.00 173.24 174.43 1h1a s ALA 186 N -2.67 -1.88 -0.15 5.32 0.00 -0.00 -1.48 121.76 120.90 1h1a s ALA 186 Ca -0.04 2.11 0.00 0.00 0.00 0.00 0.00 51.96 54.03 1h1a s ALA 186 Cb -0.01 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.81 1h1a s ALA 186 CO -0.04 -0.33 -0.13 0.99 0.00 0.00 0.00 175.76 176.25 1h1a s THR 187 N 0.73 1.48 -0.07 0.00 2.01 -0.63 -0.38 115.64 118.79 1h1a s THR 187 Ca -0.03 -0.60 0.05 0.00 0.31 0.00 0.00 61.69 61.42 1h1a s THR 187 Cb -0.05 -1.42 -0.00 0.00 0.01 0.00 0.00 72.50 71.04 1h1a s THR 187 CO -0.07 0.42 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.38 1h1a s VAL 188 N 1.52 1.84 -0.21 3.82 1.01 -0.25 -0.75 120.40 127.38 1h1a s VAL 188 Ca 0.05 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1h1a s VAL 188 Cb -0.13 -1.58 0.04 0.00 0.00 0.00 0.00 36.38 34.71 1h1a s VAL 188 CO -0.10 0.52 -0.14 0.21 0.00 0.00 0.00 175.10 175.59 1h1a s ASN 189 N 0.09 3.62 -0.18 3.32 2.47 -0.34 -1.35 114.94 122.56 1h1a s ASN 189 Ca -0.09 -0.96 -0.13 0.00 0.42 0.00 0.00 52.86 52.10 1h1a s ASN 189 Cb -0.15 -1.41 -0.05 0.00 -1.45 0.00 0.00 41.25 38.20 1h1a s ASN 189 CO 0.05 -0.11 0.28 -0.69 -3.72 0.00 0.00 177.10 172.91 1h1a s VAL 190 N 1.27 5.30 0.00 -5.21 1.01 0.14 -1.68 120.40 121.24 1h1a s VAL 190 Ca -0.01 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1h1a s VAL 190 Cb -0.16 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1h1a s VAL 190 CO -0.09 0.36 0.00 0.61 0.00 0.00 0.00 175.10 175.98