#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 4.07 0.00 -4.42 1.43 -0.43 -4.97 118.68 114.36 1h1a s LEU 3 Ca 0.00 2.01 0.03 0.00 -1.03 0.00 0.00 54.13 55.14 1h1a s LEU 3 Cb 0.00 -4.28 0.04 0.00 0.03 0.00 0.00 46.19 41.98 1h1a s LEU 3 CO 0.00 -0.56 0.73 0.35 0.23 0.00 0.00 176.35 177.10 1h1a n THR 4 N -0.29 0.32 -3.87 5.49 -2.24 -1.26 -4.56 114.28 107.86 1h1a n THR 4 Ca 0.06 -0.66 -0.02 0.00 -2.27 0.00 0.00 64.05 61.16 1h1a n THR 4 Cb 0.50 0.88 0.01 0.00 -2.10 0.00 0.00 70.33 69.62 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 -0.47 -0.01 0.48 3.42 0.15 -1.26 -5.13 113.70 110.88 1h1a s SER 5 Ca 0.04 -0.55 -0.24 0.00 0.70 0.00 0.00 55.95 55.89 1h1a s SER 5 Cb 0.02 0.43 -0.07 0.00 -1.71 0.00 0.00 66.02 64.69 1h1a s SER 5 CO 0.03 -0.85 1.40 -1.20 1.20 0.00 0.00 173.24 173.83 1h1a n SER 6 N -1.10 3.06 -3.55 5.45 7.64 -1.26 -4.96 113.62 118.91 1h1a n SER 6 Ca -0.02 1.07 -0.10 0.00 1.01 0.00 0.00 58.87 60.83 1h1a n SER 6 Cb 0.60 -1.59 -0.02 0.00 -1.01 0.00 0.00 64.21 62.19 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 -1.22 -1.58 0.16 -0.43 0.00 -0.18 -4.99 121.76 113.51 1h1a s ALA 7 Ca 0.65 0.42 -0.08 0.00 0.00 0.00 0.00 51.96 52.95 1h1a s ALA 7 Cb -0.44 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 1h1a s ALA 7 CO 0.55 -0.83 0.25 0.95 0.00 0.00 0.00 175.76 176.68 1h1a s THR 8 N -3.61 0.07 -5.00 0.00 -4.23 -1.26 -0.63 115.64 100.98 1h1a s THR 8 Ca 0.05 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1h1a s THR 8 Cb -0.02 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 71.95 1h1a s THR 8 CO -0.07 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 1h1a n GLY 9 N -0.19 -0.12 3.22 3.99 0.00 -0.93 -4.98 105.19 106.17 1h1a n GLY 9 Ca -0.07 -1.45 -0.26 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.84 1.58 -0.05 2.61 -4.23 -1.26 0.22 115.64 111.67 1h1a s THR 10 Ca 0.00 -0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 59.56 1h1a s THR 10 Cb 0.00 -1.33 0.03 0.00 1.34 0.00 0.00 72.50 72.54 1h1a s THR 10 CO 0.00 0.37 0.01 -2.28 -0.54 0.00 0.00 174.62 172.18 1h1a s HIS 11 N -0.56 0.41 -1.44 3.99 5.04 0.12 -4.81 115.29 118.05 1h1a s HIS 11 Ca 0.07 -0.01 -0.11 0.00 -1.54 0.00 0.00 55.06 53.47 1h1a s HIS 11 Cb -0.08 -0.57 0.08 0.00 0.04 0.00 0.00 32.58 32.05 1h1a s HIS 11 CO -0.00 -0.21 0.69 0.09 -2.34 0.00 0.00 174.74 172.96 1h1a n ASN 12 N 4.71 -4.35 0.00 9.88 3.02 -1.26 -1.02 115.26 126.24 1h1a n ASN 12 Ca -0.15 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 1h1a n ASN 12 Cb 0.50 -3.54 0.00 0.00 -0.61 0.00 0.00 39.78 36.14 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 -1.40 1.45 3.47 7.41 0.00 -1.26 -4.68 105.19 110.17 1h1a n GLY 13 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.86 2.89 0.51 1.61 1.51 -0.18 -5.02 117.35 115.80 1h1a s TYR 14 Ca 0.00 -0.33 -0.21 0.00 -1.01 0.00 0.00 57.07 55.51 1h1a s TYR 14 Cb 0.00 -1.82 -0.06 0.00 -0.11 0.00 0.00 41.96 39.97 1h1a s TYR 14 CO 0.00 0.01 1.19 -0.47 -1.11 0.00 0.00 175.55 175.17 1h1a s TYR 15 N -0.04 2.67 0.01 2.71 5.04 -0.43 0.16 117.35 127.47 1h1a s TYR 15 Ca -0.01 1.51 0.02 0.00 -2.44 0.00 0.00 57.07 56.15 1h1a s TYR 15 Cb -0.14 -3.44 -0.01 0.00 0.35 0.00 0.00 41.96 38.72 1h1a s TYR 15 CO 0.03 -1.83 -0.06 1.52 -1.34 0.00 0.00 175.55 173.87 1h1a s TYR 16 N -1.56 0.57 -0.02 4.97 -0.85 0.13 -0.04 117.35 120.55 1h1a s TYR 16 Ca 0.69 -0.26 0.00 0.00 -0.52 0.00 0.00 57.07 56.99 1h1a s TYR 16 Cb -0.30 -0.35 0.02 0.00 0.38 0.00 0.00 41.96 41.72 1h1a s TYR 16 CO 0.35 -0.04 0.01 0.45 -1.52 0.00 0.00 175.55 174.80 1h1a s SER 17 N -0.72 0.27 -0.08 -0.18 0.15 -0.84 -2.19 113.70 110.11 1h1a s SER 17 Ca -0.03 -0.01 -0.01 0.00 0.70 0.00 0.00 55.95 56.61 1h1a s SER 17 Cb -0.05 -0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.14 1h1a s SER 17 CO 0.00 -0.09 -0.02 0.12 1.20 0.00 0.00 173.24 174.44 1h1a s PHE 18 N 0.91 0.89 -0.08 3.44 5.36 0.20 -1.16 117.98 127.54 1h1a s PHE 18 Ca -0.09 -0.32 0.04 0.00 -0.96 0.00 0.00 56.93 55.60 1h1a s PHE 18 Cb -0.12 -0.90 0.00 0.00 -0.34 0.00 0.00 43.02 41.66 1h1a s PHE 18 CO -0.02 -0.36 -0.22 -0.46 -1.46 0.00 0.00 175.22 172.70 1h1a s TRP 19 N 1.79 2.27 -0.00 10.12 -0.00 0.39 -1.01 118.94 132.51 1h1a s TRP 19 Ca 0.03 -0.85 -0.03 0.00 -0.00 0.00 0.00 56.10 55.25 1h1a s TRP 19 Cb -0.13 -1.53 -0.00 0.00 -0.00 0.00 0.00 33.47 31.81 1h1a s TRP 19 CO -0.05 -0.34 0.06 -0.08 -0.00 0.00 0.00 176.95 176.54 1h1a s THR 20 N 0.28 0.07 -2.01 5.86 -1.32 -1.26 -0.54 115.64 116.72 1h1a s THR 20 Ca -0.14 -0.55 0.07 0.00 -1.21 0.00 0.00 61.69 59.86 1h1a s THR 20 Cb -0.16 -0.27 0.19 0.00 -1.51 0.00 0.00 72.50 70.75 1h1a s THR 20 CO 0.07 -0.30 1.18 -0.90 -2.21 0.00 0.00 174.62 172.45 1h1a n ASP 21 N 2.00 1.04 0.00 8.08 5.75 -0.43 -4.77 116.55 128.21 1h1a n ASP 21 Ca -0.20 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.61 1h1a n ASP 21 Cb 0.57 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 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 0.82 1.46 3.98 6.12 0.00 -1.26 -4.98 105.19 111.32 1h1a n GLY 22 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.08 2.82 2.21 1.61 -1.52 -1.26 -4.98 119.66 118.45 1h1a s GLN 23 Ca 0.00 -0.82 0.00 0.00 -1.95 0.00 0.00 55.36 52.59 1h1a s GLN 23 Cb 0.00 -2.61 0.00 0.00 -0.22 0.00 0.00 33.01 30.18 1h1a s GLN 23 CO 0.00 -0.40 0.00 0.41 -0.25 0.00 0.00 175.29 175.05 1h1a n GLY 24 N -2.08 -0.62 3.33 3.09 0.00 -1.25 -4.03 105.19 103.63 1h1a n GLY 24 Ca 0.05 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 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 3.73 -0.24 1.61 0.01 0.45 -4.90 114.94 111.60 1h1a s ASN 25 Ca 0.00 -0.39 -0.25 0.00 -0.71 0.00 0.00 52.86 51.51 1h1a s ASN 25 Cb 0.00 -1.49 0.07 0.00 0.41 0.00 0.00 41.25 40.24 1h1a s ASN 25 CO 0.00 0.18 0.70 -0.51 -1.51 0.00 0.00 177.10 175.95 1h1a s ILE 26 N 0.27 0.00 -0.21 0.60 2.07 -1.26 -1.28 121.20 121.39 1h1a s ILE 26 Ca -0.12 -0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.09 1h1a s ILE 26 Cb -0.16 -0.98 0.07 0.00 0.13 0.00 0.00 42.46 41.52 1h1a s ILE 26 CO 0.06 -0.00 0.04 -0.13 -1.91 0.00 0.00 174.94 173.00 1h1a s ARG 27 N 0.19 0.69 -0.26 3.50 0.52 -0.79 -5.02 118.95 117.78 1h1a s ARG 27 Ca -0.01 -0.54 -0.09 0.00 -0.52 0.00 0.00 55.73 54.57 1h1a s ARG 27 Cb -0.04 -2.08 -0.04 0.00 0.52 0.00 0.00 34.95 33.31 1h1a s ARG 27 CO 0.02 -0.70 0.12 0.12 0.02 0.00 0.00 175.30 174.88 1h1a s PHE 28 N 1.82 3.14 -0.11 -0.53 5.36 -1.26 -2.17 117.98 124.23 1h1a s PHE 28 Ca 0.01 -0.19 0.02 0.00 -0.96 0.00 0.00 56.93 55.81 1h1a s PHE 28 Cb -0.17 -2.30 -0.01 0.00 -0.34 0.00 0.00 43.02 40.20 1h1a s PHE 28 CO -0.11 -0.27 -0.19 -0.80 -1.46 0.00 0.00 175.22 172.39 1h1a s ASN 29 N 1.66 3.56 -0.15 6.13 -0.87 0.98 -1.31 114.94 124.94 1h1a s ASN 29 Ca 0.07 -0.43 -0.22 0.00 -1.57 0.00 0.00 52.86 50.70 1h1a s ASN 29 Cb -0.15 -1.46 -0.03 0.00 -0.02 0.00 0.00 41.25 39.59 1h1a s ASN 29 CO 0.07 0.17 0.67 -0.76 -2.57 0.00 0.00 177.10 174.68 1h1a s LEU 30 N 0.28 4.20 0.00 0.60 1.43 -1.26 -1.13 118.68 122.80 1h1a s LEU 30 Ca -0.13 0.98 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 1h1a s LEU 30 Cb -0.17 -2.98 -0.00 0.00 0.03 0.00 0.00 46.19 43.08 1h1a s LEU 30 CO 0.07 -0.23 0.00 -0.62 0.23 0.00 0.00 176.35 175.80 1h1a n GLU 31 N 4.63 1.78 -1.62 1.70 1.02 -0.43 -4.85 120.64 122.86 1h1a n GLU 31 Ca -0.01 -0.25 -0.44 0.00 -0.02 0.00 0.00 57.16 56.44 1h1a n GLU 31 Cb 0.50 0.08 -0.01 0.00 -0.02 0.00 0.00 31.44 31.99 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 1.74 0.00 1.62 2.88 -1.26 -4.29 113.62 113.15 1h1a n SER 32 Ca -0.01 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 1h1a n SER 32 Cb 0.04 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.15 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 1.08 3.30 1.88 0.46 0.00 -1.26 -1.44 105.19 109.21 1h1a n GLY 33 Ca 0.08 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 3.72 3.80 -0.02 0.00 -1.26 -4.59 105.19 106.84 1h1a n GLY 34 Ca 0.00 -0.81 -0.31 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 -2.49 2.97 0.07 1.61 0.74 -0.52 -0.11 119.66 121.93 1h1a s GLN 35 Ca 0.43 -0.65 -0.13 0.00 0.05 0.00 0.00 55.36 55.07 1h1a s GLN 35 Cb 0.36 -2.78 0.02 0.00 1.10 0.00 0.00 33.01 31.71 1h1a s GLN 35 CO 0.09 0.57 0.29 1.52 -0.55 0.00 0.00 175.29 177.22 1h1a s TYR 36 N -1.40 -0.06 0.04 1.67 -0.85 -0.36 -1.31 117.35 115.07 1h1a s TYR 36 Ca 0.30 -0.19 0.01 0.00 -0.52 0.00 0.00 57.07 56.67 1h1a s TYR 36 Cb -0.12 0.09 -0.02 0.00 0.38 0.00 0.00 41.96 42.28 1h1a s TYR 36 CO 0.23 -0.55 -0.05 -1.54 -1.52 0.00 0.00 175.55 172.11 1h1a s SER 37 N -2.41 0.59 -0.09 -0.18 1.04 -0.29 -1.07 113.70 111.29 1h1a s SER 37 Ca -0.01 -0.57 -0.10 0.00 0.48 0.00 0.00 55.95 55.75 1h1a s SER 37 Cb 0.01 0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.23 1h1a s SER 37 CO -0.07 -0.27 0.27 0.54 0.98 0.00 0.00 173.24 174.69 1h1a s VAL 38 N -1.62 0.01 -0.07 5.02 0.11 -0.10 -0.02 120.40 123.73 1h1a s VAL 38 Ca -0.11 -0.09 0.02 0.00 -2.93 0.00 0.00 61.98 58.87 1h1a s VAL 38 Cb -0.09 -0.42 0.02 0.00 -1.53 0.00 0.00 36.38 34.36 1h1a s VAL 38 CO -0.01 -0.05 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.71 1h1a s THR 39 N -0.10 1.05 0.17 5.04 2.01 -0.92 -1.31 115.64 121.57 1h1a s THR 39 Ca -0.02 -0.41 -0.05 0.00 0.31 0.00 0.00 61.69 61.52 1h1a s THR 39 Cb -0.03 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 1h1a s THR 39 CO 0.01 0.34 0.18 -1.66 -0.69 0.00 0.00 174.62 172.80 1h1a s TRP 40 N 0.81 0.72 0.06 4.92 -2.14 -0.23 -1.89 118.94 121.21 1h1a s TRP 40 Ca -0.12 -1.06 -0.26 0.00 2.66 0.00 0.00 56.10 57.31 1h1a s TRP 40 Cb -0.15 -0.30 0.09 0.00 -3.10 0.00 0.00 33.47 30.01 1h1a s TRP 40 CO 0.02 -0.65 1.19 -1.54 -2.66 0.00 0.00 176.95 173.31 1h1a s SER 41 N -3.04 -0.01 0.00 -2.66 1.04 -0.40 -1.27 113.70 107.35 1h1a s SER 41 Ca 0.25 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1h1a s SER 41 Cb 0.05 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1h1a s SER 41 CO 0.04 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1h1a n GLY 42 N -0.75 -1.67 2.68 7.32 0.00 -1.24 -0.41 105.19 111.11 1h1a n GLY 42 Ca -0.01 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 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 0.19 7.08 -4.77 1.61 3.02 -1.26 -3.54 115.26 117.59 1h1a n ASN 43 Ca 0.00 -3.68 -0.23 0.00 -0.03 0.00 0.00 54.58 50.65 1h1a n ASN 43 Cb 0.00 -1.12 -0.05 0.00 -0.61 0.00 0.00 39.78 37.99 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 -1.54 1.98 -0.11 7.41 0.00 -1.26 -3.82 107.32 109.98 1h1a s GLY 44 Ca 0.40 -1.83 -0.01 0.00 0.00 0.00 0.00 44.72 43.27 1h1a s GLY 44 CO -0.12 -1.73 -0.04 0.21 0.00 0.00 0.00 173.10 171.42 1h1a s ASN 45 N -3.92 2.13 0.17 1.64 3.04 -1.26 0.03 114.94 116.77 1h1a s ASN 45 Ca 0.40 -0.32 -0.18 0.00 0.04 0.00 0.00 52.86 52.80 1h1a s ASN 45 Cb -0.02 -0.71 0.04 0.00 -1.54 0.00 0.00 41.25 39.01 1h1a s ASN 45 CO 0.24 -0.16 0.51 -1.66 -3.04 0.00 0.00 177.10 172.98 1h1a s TRP 46 N 1.79 -0.25 -0.24 0.43 1.48 -0.72 -1.32 118.94 120.11 1h1a s TRP 46 Ca 0.04 -0.05 -0.16 0.00 -1.06 0.00 0.00 56.10 54.86 1h1a s TRP 46 Cb -0.13 0.40 0.07 0.00 -1.16 0.00 0.00 33.47 32.64 1h1a s TRP 46 CO -0.07 -0.84 0.60 0.54 -4.06 0.00 0.00 176.95 173.12 1h1a s VAL 47 N -3.82 -0.01 0.08 -0.66 0.11 0.30 -1.57 120.40 114.83 1h1a s VAL 47 Ca 0.05 0.02 -0.26 0.00 -2.93 0.00 0.00 61.98 58.86 1h1a s VAL 47 Cb -0.00 -0.86 0.08 0.00 -1.53 0.00 0.00 36.38 34.07 1h1a s VAL 47 CO -0.08 0.01 0.85 -0.83 -3.33 0.00 0.00 175.10 171.72 1h1a s GLY 48 N 1.11 -0.40 0.00 6.54 0.00 -0.71 -0.46 107.32 113.40 1h1a s GLY 48 Ca -0.06 0.60 0.00 0.00 0.00 0.00 0.00 44.72 45.26 1h1a s GLY 48 CO -0.11 0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.79 1h1a n GLY 49 N -0.34 -1.40 3.52 0.20 0.00 -0.31 -1.23 105.19 105.63 1h1a n GLY 49 Ca -0.09 -0.99 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.04 1.88 0.00 1.61 1.02 -1.23 -1.99 119.74 119.99 1h1a s LYS 50 Ca 0.00 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 54.59 1h1a s LYS 50 Cb 0.00 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 1h1a s LYS 50 CO 0.00 0.41 0.00 0.41 -0.92 0.00 0.00 175.35 175.25 1h1a n GLY 51 N -0.02 -0.30 3.11 -3.33 0.00 0.95 -1.09 105.19 104.51 1h1a n GLY 51 Ca -0.10 0.39 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 0.65 -0.28 1.61 0.51 0.53 -1.32 118.94 120.64 1h1a s TRP 52 Ca 0.00 -0.97 -0.02 0.00 -2.12 0.00 0.00 56.10 52.99 1h1a s TRP 52 Cb 0.00 -0.43 0.17 0.00 -0.81 0.00 0.00 33.47 32.40 1h1a s TRP 52 CO 0.00 -0.28 0.53 1.21 -0.51 0.00 0.00 176.95 177.90 1h1a s ASN 53 N -2.86 -0.88 0.70 2.95 2.47 -1.26 -0.31 114.94 115.74 1h1a s ASN 53 Ca 0.07 0.72 -0.11 0.00 0.42 0.00 0.00 52.86 53.96 1h1a s ASN 53 Cb 0.06 1.85 0.01 0.00 -1.45 0.00 0.00 41.25 41.72 1h1a s ASN 53 CO -0.07 -0.27 1.06 -2.16 -3.72 0.00 0.00 177.10 171.94 1h1a s PRO 54 N 2.76 2.93 0.84 0.43 0.04 -1.26 -5.01 135.00 135.73 1h1a s PRO 54 Ca 0.17 0.79 -0.09 0.00 0.04 0.00 0.00 61.00 61.92 1h1a s PRO 54 Cb -0.15 -2.00 0.16 0.00 0.04 0.00 0.00 34.50 32.54 1h1a s PRO 54 CO -0.19 -1.06 1.16 0.20 0.04 0.00 0.00 177.00 177.15 1h1a s GLY 55 N -3.97 1.76 0.06 0.56 0.00 -0.21 -4.86 107.32 100.66 1h1a s GLY 55 Ca 0.58 -1.39 0.02 0.00 0.00 0.00 0.00 44.72 43.93 1h1a s GLY 55 CO 0.54 -0.74 -0.08 -0.51 0.00 0.00 0.00 173.10 172.31 1h1a s THR 56 N -3.52 0.64 -2.04 0.90 -4.23 -1.26 -4.70 115.64 101.43 1h1a s THR 56 Ca 0.69 -1.36 0.13 0.00 -1.18 0.00 0.00 61.69 59.98 1h1a s THR 56 Cb -0.05 -0.97 0.35 0.00 1.34 0.00 0.00 72.50 73.17 1h1a s THR 56 CO 0.49 -0.51 1.44 -0.90 -0.54 0.00 0.00 174.62 174.60 1h1a n ASP 57 N 1.00 0.44 -0.23 3.99 5.75 -1.26 -3.47 116.55 122.77 1h1a n ASP 57 Ca -0.19 -1.68 0.02 0.00 -0.01 0.00 0.00 54.79 52.92 1h1a n ASP 57 Cb 0.56 -0.04 0.02 0.00 -1.03 0.00 0.00 41.12 40.64 1h1a n ASP 57 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1h1a n ASN 58 N -0.41 0.63 -4.77 -1.12 6.94 -1.26 -2.68 115.26 112.59 1h1a n ASN 58 Ca 0.10 -1.90 -0.38 0.00 -0.02 0.00 0.00 54.58 52.38 1h1a n ASN 58 Cb 0.11 -0.16 -0.03 0.00 -2.36 0.00 0.00 39.78 37.34 1h1a n ASN 58 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1h1a s ARG 59 N -0.61 4.13 -0.42 -3.83 3.52 -1.23 -4.68 118.95 115.84 1h1a s ARG 59 Ca 0.05 1.75 -0.05 0.00 -0.13 0.00 0.00 55.73 57.35 1h1a s ARG 59 Cb 0.05 -2.69 0.10 0.00 -1.56 0.00 0.00 34.95 30.85 1h1a s ARG 59 CO 0.01 -0.23 0.23 0.08 -0.81 0.00 0.00 175.30 174.58 1h1a s VAL 60 N -1.45 3.66 -0.07 7.11 1.01 -1.26 -1.91 120.40 127.49 1h1a s VAL 60 Ca 0.56 -1.82 -0.21 0.00 0.00 0.00 0.00 61.98 60.51 1h1a s VAL 60 Cb -0.29 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1h1a s VAL 60 CO 0.36 -0.63 0.60 -0.63 0.00 0.00 0.00 175.10 174.80 1h1a s ILE 61 N 1.25 5.07 -0.06 2.22 1.01 0.05 -4.90 121.20 125.84 1h1a s ILE 61 Ca 0.06 1.23 0.05 0.00 0.00 0.00 0.00 60.65 61.99 1h1a s ILE 61 Cb -0.23 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 1h1a s ILE 61 CO -0.02 0.31 -0.23 0.54 0.00 0.00 0.00 174.94 175.54 1h1a s ASN 62 N 0.53 2.90 0.17 3.58 4.22 -1.26 0.86 114.94 125.94 1h1a s ASN 62 Ca 0.32 -0.49 -0.12 0.00 -2.14 0.00 0.00 52.86 50.43 1h1a s ASN 62 Cb -0.17 -0.91 0.00 0.00 1.28 0.00 0.00 41.25 41.45 1h1a s ASN 62 CO 0.15 0.21 0.36 -0.72 -2.04 0.00 0.00 177.10 175.06 1h1a s TYR 63 N -0.02 0.23 0.02 1.54 -0.85 -0.25 -0.17 117.35 117.85 1h1a s TYR 63 Ca -0.07 -0.59 -0.00 0.00 -0.52 0.00 0.00 57.07 55.89 1h1a s TYR 63 Cb -0.14 0.09 -0.02 0.00 0.38 0.00 0.00 41.96 42.26 1h1a s TYR 63 CO 0.04 -0.78 -0.03 0.95 -1.52 0.00 0.00 175.55 174.22 1h1a s THR 64 N -3.93 0.12 -0.13 -3.49 -4.23 -0.89 -0.77 115.64 102.31 1h1a s THR 64 Ca 0.14 -0.97 -0.20 0.00 -1.18 0.00 0.00 61.69 59.48 1h1a s THR 64 Cb 0.02 -0.36 0.05 0.00 1.34 0.00 0.00 72.50 73.55 1h1a s THR 64 CO -0.01 -0.53 0.52 0.00 -0.54 0.00 0.00 174.62 174.05 1h1a s ALA 65 N -1.64 -1.30 -0.73 3.99 0.00 -0.65 -1.16 121.76 120.28 1h1a s ALA 65 Ca -0.14 1.20 -0.05 0.00 0.00 0.00 0.00 51.96 52.97 1h1a s ALA 65 Cb -0.09 -0.47 0.19 0.00 0.00 0.00 0.00 23.12 22.75 1h1a s ALA 65 CO -0.02 -0.28 0.59 0.34 0.00 0.00 0.00 175.76 176.39 1h1a s ASP 66 N -0.40 5.73 -0.35 0.00 -1.08 0.12 -4.79 116.67 115.90 1h1a s ASP 66 Ca -0.05 -3.01 -0.13 0.00 -0.52 0.00 0.00 52.55 48.84 1h1a s ASP 66 Cb -0.03 -1.95 -0.01 0.00 -1.46 0.00 0.00 42.92 39.47 1h1a s ASP 66 CO 0.04 -0.37 0.25 -0.47 0.52 0.00 0.00 175.17 175.14 1h1a s TYR 67 N -0.29 3.23 -0.59 -5.34 5.04 -1.26 -1.94 117.35 116.19 1h1a s TYR 67 Ca 0.19 -0.28 0.06 0.00 -2.44 0.00 0.00 57.07 54.60 1h1a s TYR 67 Cb -0.16 -2.50 0.23 0.00 0.35 0.00 0.00 41.96 39.89 1h1a s TYR 67 CO -0.06 -0.40 0.64 0.54 -1.34 0.00 0.00 175.55 174.93 1h1a n ARG 68 N 5.12 1.96 -2.63 4.97 1.74 -0.18 -5.03 116.66 122.60 1h1a n ARG 68 Ca -0.12 -4.30 -0.31 0.00 -0.77 0.00 0.00 57.85 52.35 1h1a n ARG 68 Cb 0.49 -2.04 -0.04 0.00 -1.02 0.00 0.00 32.46 29.86 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 -1.95 3.89 -0.36 5.56 0.04 -1.26 -2.13 135.00 138.78 1h1a s PRO 69 Ca 0.36 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.14 1h1a s PRO 69 Cb 0.12 -2.26 0.13 0.00 0.04 0.00 0.00 34.50 32.53 1h1a s PRO 69 CO -0.06 -0.15 0.19 1.21 0.04 0.00 0.00 177.00 178.23 1h1a s ASN 70 N -3.05 3.35 0.00 6.66 3.04 0.02 -4.96 114.94 120.00 1h1a s ASN 70 Ca 0.55 -2.13 0.00 0.00 0.04 0.00 0.00 52.86 51.32 1h1a s ASN 70 Cb -0.10 -0.63 0.00 0.00 -1.54 0.00 0.00 41.25 38.98 1h1a s ASN 70 CO 0.30 -0.33 0.00 0.61 -3.04 0.00 0.00 177.10 174.65 1h1a n GLY 71 N 4.15 0.22 3.57 1.21 0.00 -1.26 -2.37 105.19 110.71 1h1a n GLY 71 Ca 0.07 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 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 6.08 0.03 1.61 3.84 -1.26 -1.56 114.94 119.68 1h1a s ASN 72 Ca 0.00 0.25 -0.28 0.00 0.21 0.00 0.00 52.86 53.05 1h1a s ASN 72 Cb 0.00 -2.55 0.07 0.00 -0.55 0.00 0.00 41.25 38.22 1h1a s ASN 72 CO 0.00 -1.76 0.65 -0.55 -2.79 0.00 0.00 177.10 172.65 1h1a s SER 73 N 4.61 -0.62 0.09 -4.21 0.15 -1.26 -1.25 113.70 111.20 1h1a s SER 73 Ca 0.52 0.43 -0.07 0.00 0.70 0.00 0.00 55.95 57.53 1h1a s SER 73 Cb -0.11 0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 64.75 1h1a s SER 73 CO 0.24 -0.75 0.15 -0.72 1.20 0.00 0.00 173.24 173.36 1h1a s TYR 74 N -2.21 0.25 -0.16 3.44 -0.85 -0.97 0.82 117.35 117.68 1h1a s TYR 74 Ca -0.06 -0.70 0.01 0.00 -0.52 0.00 0.00 57.07 55.80 1h1a s TYR 74 Cb -0.00 -0.13 0.02 0.00 0.38 0.00 0.00 41.96 42.23 1h1a s TYR 74 CO 0.01 -0.52 -0.18 -1.17 -1.52 0.00 0.00 175.55 172.17 1h1a s LEU 75 N -2.88 1.94 0.02 -3.49 2.96 0.10 -1.02 118.68 116.32 1h1a s LEU 75 Ca 0.06 -0.57 -0.27 0.00 -0.22 0.00 0.00 54.13 53.13 1h1a s LEU 75 Cb 0.05 -1.34 0.09 0.00 0.50 0.00 0.00 46.19 45.49 1h1a s LEU 75 CO -0.10 -0.00 0.74 0.00 -1.32 0.00 0.00 176.35 175.67 1h1a s ALA 76 N 1.25 -1.74 0.15 5.97 0.00 -0.19 -1.21 121.76 125.99 1h1a s ALA 76 Ca 0.02 0.98 -0.30 0.00 0.00 0.00 0.00 51.96 52.66 1h1a s ALA 76 Cb -0.13 0.33 -0.07 0.00 0.00 0.00 0.00 23.12 23.25 1h1a s ALA 76 CO -0.09 -0.58 1.14 0.08 0.00 0.00 0.00 175.76 176.31 1h1a s VAL 77 N -2.58 3.84 -0.01 0.00 1.01 -0.33 -0.12 120.40 122.21 1h1a s VAL 77 Ca -0.02 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.48 1h1a s VAL 77 Cb -0.01 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.42 1h1a s VAL 77 CO -0.04 0.22 -0.01 -0.47 0.00 0.00 0.00 175.10 174.81 1h1a s TYR 78 N 0.11 0.17 0.20 5.22 5.04 0.24 -0.72 117.35 127.60 1h1a s TYR 78 Ca 0.52 0.00 -0.14 0.00 -2.44 0.00 0.00 57.07 55.02 1h1a s TYR 78 Cb -0.30 -0.20 0.05 0.00 0.35 0.00 0.00 41.96 41.86 1h1a s TYR 78 CO 0.34 -0.05 0.68 0.41 -1.34 0.00 0.00 175.55 175.59 1h1a n GLY 79 N 3.49 0.98 3.08 8.97 0.00 -0.82 -0.26 105.19 120.62 1h1a n GLY 79 Ca -0.18 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.52 0.50 0.14 1.61 0.52 -0.75 -1.32 118.94 116.13 1h1a s TRP 80 Ca 0.15 -0.97 0.03 0.00 0.02 0.00 0.00 56.10 55.32 1h1a s TRP 80 Cb -0.03 -0.36 -0.04 0.00 -1.15 0.00 0.00 33.47 31.88 1h1a s TRP 80 CO 0.06 -0.33 -0.05 0.95 0.02 0.00 0.00 176.95 177.60 1h1a s THR 81 N -3.47 0.82 0.18 2.01 -4.23 -0.51 -0.62 115.64 109.83 1h1a s THR 81 Ca 0.03 -1.99 0.08 0.00 -1.18 0.00 0.00 61.69 58.63 1h1a s THR 81 Cb 0.05 -1.91 -0.04 0.00 1.34 0.00 0.00 72.50 71.93 1h1a s THR 81 CO -0.08 -0.67 -0.16 -0.13 -0.54 0.00 0.00 174.62 173.04 1h1a s ARG 82 N -3.84 1.28 -0.86 3.99 0.52 0.27 -1.42 118.95 118.89 1h1a s ARG 82 Ca 0.18 -1.47 -0.04 0.00 -0.52 0.00 0.00 55.73 53.88 1h1a s ARG 82 Cb 0.05 -1.20 -0.01 0.00 0.52 0.00 0.00 34.95 34.31 1h1a s ARG 82 CO 0.00 0.22 0.71 -1.71 0.02 0.00 0.00 175.30 174.55 1h1a n ASN 83 N 0.02 -6.52 -4.92 0.23 5.15 -1.26 -1.07 115.26 106.89 1h1a n ASN 83 Ca -0.11 -0.53 -0.27 0.00 -0.60 0.00 0.00 54.58 53.08 1h1a n ASN 83 Cb 0.58 -4.04 0.03 0.00 -0.53 0.00 0.00 39.78 35.83 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 -4.16 2.87 0.01 1.20 0.04 -1.26 -2.70 135.00 131.01 1h1a s PRO 84 Ca 0.13 -0.02 -0.30 0.00 0.04 0.00 0.00 61.00 60.85 1h1a s PRO 84 Cb -0.04 -2.26 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 1h1a s PRO 84 CO 0.81 -0.73 1.48 -1.17 0.04 0.00 0.00 177.00 177.42 1h1a s LEU 85 N -5.01 4.33 0.00 -3.56 2.96 -1.26 -4.71 118.68 111.43 1h1a s LEU 85 Ca 0.54 2.21 0.00 0.00 -0.22 0.00 0.00 54.13 56.67 1h1a s LEU 85 Cb -0.11 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.02 1h1a s LEU 85 CO 0.45 -0.78 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.07 1h1a s ILE 86 N 2.57 0.03 -0.09 6.68 -1.09 -0.50 -3.97 121.20 124.83 1h1a s ILE 86 Ca 0.67 -0.05 0.02 0.00 -2.23 0.00 0.00 60.65 59.06 1h1a s ILE 86 Cb -0.34 -0.04 -0.02 0.00 -1.58 0.00 0.00 42.46 40.48 1h1a s ILE 86 CO 0.28 -0.01 -0.16 -0.70 -1.23 0.00 0.00 174.94 173.12 1h1a s GLU 87 N -0.05 2.98 0.06 2.79 2.12 -0.92 -1.42 118.70 124.25 1h1a s GLU 87 Ca -0.00 -0.73 0.01 0.00 0.36 0.00 0.00 54.97 54.60 1h1a s GLU 87 Cb -0.00 -2.46 -0.03 0.00 0.26 0.00 0.00 34.13 31.89 1h1a s GLU 87 CO -0.00 0.36 -0.05 1.52 -0.54 0.00 0.00 175.26 176.55 1h1a s TYR 88 N -0.05 0.62 -0.03 5.30 -0.85 -0.43 -0.70 117.35 121.20 1h1a s TYR 88 Ca -0.04 -0.81 -0.04 0.00 -0.52 0.00 0.00 57.07 55.66 1h1a s TYR 88 Cb -0.14 -0.40 0.01 0.00 0.38 0.00 0.00 41.96 41.81 1h1a s TYR 88 CO 0.04 -0.21 0.10 0.71 -1.52 0.00 0.00 175.55 174.67 1h1a s TYR 89 N -2.87 -0.05 -0.42 -3.49 1.51 -0.34 -1.95 117.35 109.75 1h1a s TYR 89 Ca 0.01 0.12 0.03 0.00 -1.01 0.00 0.00 57.07 56.22 1h1a s TYR 89 Cb 0.00 -0.00 0.12 0.00 -0.11 0.00 0.00 41.96 41.97 1h1a s TYR 89 CO -0.05 -0.12 0.16 0.08 -1.11 0.00 0.00 175.55 174.51 1h1a s VAL 90 N -0.42 2.13 -0.32 0.71 1.01 0.10 -1.27 120.40 122.34 1h1a s VAL 90 Ca -0.05 -2.66 -0.29 0.00 0.00 0.00 0.00 61.98 58.98 1h1a s VAL 90 Cb -0.03 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1h1a s VAL 90 CO 0.00 -0.73 1.18 -0.69 0.00 0.00 0.00 175.10 174.86 1h1a s VAL 91 N 0.44 4.33 -0.12 2.92 1.01 0.12 -1.19 120.40 127.90 1h1a s VAL 91 Ca 0.14 1.51 -0.01 0.00 0.00 0.00 0.00 61.98 63.62 1h1a s VAL 91 Cb -0.22 -4.32 -0.24 0.00 0.00 0.00 0.00 36.38 31.60 1h1a s VAL 91 CO -0.05 -0.52 0.34 -0.62 0.00 0.00 0.00 175.10 174.25 1h1a n GLU 92 N 7.13 0.72 -3.60 2.72 -0.58 -0.35 -1.73 120.64 124.95 1h1a n GLU 92 Ca 0.13 0.24 -0.14 0.00 -0.42 0.00 0.00 57.16 56.98 1h1a n GLU 92 Cb 0.47 -1.69 -0.06 0.00 -0.57 0.00 0.00 31.44 29.59 1h1a n GLU 92 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1h1a s SER 93 N -6.72 -0.41 0.27 1.62 0.15 -1.00 -1.52 113.70 106.09 1h1a s SER 93 Ca -0.20 0.18 -0.12 0.00 0.70 0.00 0.00 55.95 56.51 1h1a s SER 93 Cb 0.07 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1h1a s SER 93 CO 0.76 -0.68 0.51 0.72 1.20 0.00 0.00 173.24 175.75 1h1a s PHE 94 N -2.28 0.41 0.00 3.44 -0.12 -1.26 0.00 117.98 118.17 1h1a s PHE 94 Ca -0.06 -0.78 0.00 0.00 -0.05 0.00 0.00 56.93 56.04 1h1a s PHE 94 Cb -0.01 0.22 0.00 0.00 -0.63 0.00 0.00 43.02 42.60 1h1a s PHE 94 CO -0.01 -1.06 0.00 0.41 -0.05 0.00 0.00 175.22 174.51 1h1a n GLY 95 N -0.42 0.52 0.60 1.99 0.00 0.24 -4.90 105.19 103.23 1h1a n GLY 95 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 1h1a n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h1a n THR 96 N 0.00 0.50 -3.47 2.61 -2.24 -0.60 -4.75 114.28 106.33 1h1a n THR 96 Ca 0.00 -0.33 -0.10 0.00 -2.27 0.00 0.00 64.05 61.35 1h1a n THR 96 Cb 0.00 -0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.04 1h1a n THR 96 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1h1a s TYR 97 N -1.63 -0.75 -0.25 4.78 5.04 -1.26 -4.90 117.35 118.39 1h1a s TYR 97 Ca 0.15 1.01 -0.29 0.00 -2.44 0.00 0.00 57.07 55.50 1h1a s TYR 97 Cb 0.09 0.07 -0.03 0.00 0.35 0.00 0.00 41.96 42.45 1h1a s TYR 97 CO 0.08 -0.61 1.74 0.34 -1.34 0.00 0.00 175.55 175.76 1h1a s ASP 98 N 2.54 6.14 0.46 4.32 -1.08 -1.26 -4.80 116.67 123.00 1h1a s ASP 98 Ca 0.07 1.58 0.28 0.00 -0.52 0.00 0.00 52.55 53.97 1h1a s ASP 98 Cb -0.14 -2.53 1.55 0.00 -1.46 0.00 0.00 42.92 40.34 1h1a s ASP 98 CO -0.14 -1.46 1.86 1.55 0.52 0.00 0.00 175.17 177.50 1h1a h PRO 99 N 11.79 0.00 -0.01 4.34 0.13 -1.99 -1.03 132.00 145.23 1h1a h PRO 99 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1h1a h PRO 99 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1h1a h PRO 99 CO 1.01 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.65 1h1a n SER 100 N -2.55 0.93 -4.66 1.44 3.41 -1.26 -4.92 113.62 106.01 1h1a n SER 100 Ca -0.02 -1.32 -0.46 0.00 -0.26 0.00 0.00 58.87 56.82 1h1a n SER 100 Cb 0.12 -0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.03 1h1a n SER 100 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1h1a n THR 101 N -0.27 0.43 0.00 6.66 -1.04 -0.39 -1.08 114.28 118.58 1h1a n THR 101 Ca 0.21 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1h1a n THR 101 Cb 0.26 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 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 2.78 2.56 3.86 3.41 0.00 -1.26 -5.03 105.19 111.50 1h1a n GLY 102 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.21 3.20 -0.20 4.61 0.00 -0.24 -5.01 121.76 121.91 1h1a s ALA 103 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 51.96 51.71 1h1a s ALA 103 Cb 0.00 -2.93 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 1h1a s ALA 103 CO 0.00 -0.13 0.86 0.99 0.00 0.00 0.00 175.76 177.48 1h1a s THR 104 N -2.51 4.84 -0.00 0.00 2.01 -0.08 -4.82 115.64 115.08 1h1a s THR 104 Ca 0.55 1.68 -0.30 0.00 0.31 0.00 0.00 61.69 63.93 1h1a s THR 104 Cb -0.10 -4.16 -0.06 0.00 0.01 0.00 0.00 72.50 68.19 1h1a s THR 104 CO 0.31 -0.03 1.52 -0.60 -0.69 0.00 0.00 174.62 175.14 1h1a s ARG 105 N 2.48 4.23 -0.23 4.92 3.52 -1.26 -0.75 118.95 131.86 1h1a s ARG 105 Ca 0.38 2.11 0.12 0.00 -0.13 0.00 0.00 55.73 58.21 1h1a s ARG 105 Cb -0.16 -3.68 0.45 0.00 -1.56 0.00 0.00 34.95 29.99 1h1a s ARG 105 CO 0.10 -0.69 1.33 -1.33 -0.81 0.00 0.00 175.30 173.90 1h1a n MET 106 N 5.89 1.78 0.00 5.12 2.81 0.25 -4.94 117.12 128.03 1h1a n MET 106 Ca 0.15 -3.10 0.00 0.00 -1.81 0.00 0.00 57.70 52.93 1h1a n MET 106 Cb 0.43 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 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 -1.11 -0.16 3.61 3.03 0.00 -1.24 -4.83 105.19 104.49 1h1a n GLY 107 Ca 0.24 -2.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.20 -0.05 1.61 1.04 -1.26 -0.30 113.70 110.54 1h1a s SER 108 Ca 0.00 -0.65 -0.04 0.00 0.48 0.00 0.00 55.95 55.74 1h1a s SER 108 Cb 0.00 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.74 1h1a s SER 108 CO 0.00 -1.14 0.12 0.54 0.98 0.00 0.00 173.24 173.74 1h1a s VAL 109 N -3.93 -0.00 -0.22 5.02 0.11 0.31 -4.89 120.40 116.80 1h1a s VAL 109 Ca 0.14 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.14 1h1a s VAL 109 Cb -0.02 -0.18 -0.02 0.00 -1.53 0.00 0.00 36.38 34.63 1h1a s VAL 109 CO 0.03 0.00 0.01 -0.89 -3.33 0.00 0.00 175.10 170.92 1h1a s THR 110 N 0.09 3.98 -0.14 5.04 2.01 -1.26 -0.43 115.64 124.93 1h1a s THR 110 Ca -0.00 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.40 1h1a s THR 110 Cb -0.01 -2.82 0.11 0.00 0.01 0.00 0.00 72.50 69.79 1h1a s THR 110 CO 0.00 0.41 0.88 0.28 -0.69 0.00 0.00 174.62 175.50 1h1a s THR 111 N 1.21 0.00 -1.37 -0.82 -1.32 -0.26 -4.99 115.64 108.09 1h1a s THR 111 Ca 0.03 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.45 1h1a s THR 111 Cb -0.15 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.87 1h1a s THR 111 CO 0.01 0.00 0.94 0.47 -2.21 0.00 0.00 174.62 173.83 1h1a n ASP 112 N 1.00 -3.46 0.00 8.08 8.00 -1.26 -1.97 116.55 126.94 1h1a n ASP 112 Ca -0.14 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.65 1h1a n ASP 112 Cb 0.57 -4.39 0.00 0.00 -0.02 0.00 0.00 41.12 37.28 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 -1.62 0.36 3.35 0.44 0.00 -1.26 -4.91 105.19 101.54 1h1a n GLY 113 Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 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 2.16 -0.04 -0.02 0.00 -0.83 -5.13 107.32 101.46 1h1a s GLY 114 Ca 0.00 -1.74 0.06 0.00 0.00 0.00 0.00 44.72 43.04 1h1a s GLY 114 CO 0.00 -1.60 -0.21 -1.59 0.00 0.00 0.00 173.10 169.71 1h1a s THR 115 N -3.54 1.67 -0.03 0.90 2.01 -1.26 -1.11 115.64 114.28 1h1a s THR 115 Ca 0.35 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.53 1h1a s THR 115 Cb 0.04 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 71.13 1h1a s THR 115 CO 0.19 0.47 -0.18 -0.31 -0.69 0.00 0.00 174.62 174.10 1h1a s TYR 116 N -0.21 1.70 0.02 4.92 1.51 0.42 -0.66 117.35 125.06 1h1a s TYR 116 Ca 0.01 -0.41 -0.19 0.00 -1.01 0.00 0.00 57.07 55.47 1h1a s TYR 116 Cb -0.11 -1.12 -0.06 0.00 -0.11 0.00 0.00 41.96 40.57 1h1a s TYR 116 CO 0.01 -0.10 0.54 -0.80 -1.11 0.00 0.00 175.55 174.09 1h1a s ASN 117 N -0.20 6.96 -0.07 2.29 0.01 -0.53 -0.53 114.94 122.87 1h1a s ASN 117 Ca 0.02 1.14 -0.11 0.00 -0.71 0.00 0.00 52.86 53.20 1h1a s ASN 117 Cb -0.09 -2.33 -0.05 0.00 0.41 0.00 0.00 41.25 39.18 1h1a s ASN 117 CO 0.01 0.21 0.27 -0.63 -1.51 0.00 0.00 177.10 175.45 1h1a s ILE 118 N -0.69 5.29 0.06 0.60 -1.09 0.59 -1.29 121.20 124.66 1h1a s ILE 118 Ca 0.28 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 59.21 1h1a s ILE 118 Cb -0.18 -3.55 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1h1a s ILE 118 CO 0.17 0.58 -0.05 -0.31 -1.23 0.00 0.00 174.94 174.10 1h1a s TYR 119 N -0.89 0.60 -0.01 3.97 1.51 -0.17 0.87 117.35 123.23 1h1a s TYR 119 Ca 0.19 -0.84 -0.06 0.00 -1.01 0.00 0.00 57.07 55.35 1h1a s TYR 119 Cb -0.14 -0.39 0.00 0.00 -0.11 0.00 0.00 41.96 41.32 1h1a s TYR 119 CO 0.08 -0.24 0.12 0.50 -1.11 0.00 0.00 175.55 174.91 1h1a s ARG 120 N -3.09 0.38 -0.21 -0.62 3.52 0.07 -0.63 118.95 118.37 1h1a s ARG 120 Ca 0.02 -0.25 -0.27 0.00 -0.13 0.00 0.00 55.73 55.10 1h1a s ARG 120 Cb 0.01 0.16 0.07 0.00 -1.56 0.00 0.00 34.95 33.64 1h1a s ARG 120 CO -0.05 -0.08 0.74 -0.08 -0.81 0.00 0.00 175.30 175.01 1h1a s THR 121 N -0.98 0.00 -0.16 4.11 -1.32 -0.64 -0.90 115.64 115.74 1h1a s THR 121 Ca -0.11 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.17 1h1a s THR 121 Cb -0.06 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.90 1h1a s THR 121 CO 0.01 0.00 0.57 -1.58 -2.21 0.00 0.00 174.62 171.41 1h1a s GLN 122 N -0.07 4.26 -0.26 7.08 0.74 -1.26 -0.39 119.66 129.77 1h1a s GLN 122 Ca -0.03 0.55 -0.15 0.00 0.05 0.00 0.00 55.36 55.79 1h1a s GLN 122 Cb -0.04 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.51 1h1a s GLN 122 CO 0.03 -0.08 0.37 1.03 -0.55 0.00 0.00 175.29 176.08 1h1a s ARG 123 N 1.39 4.04 -0.28 1.67 1.81 0.20 -4.96 118.95 122.82 1h1a s ARG 123 Ca 0.28 0.05 -0.10 0.00 -1.72 0.00 0.00 55.73 54.23 1h1a s ARG 123 Cb -0.16 -3.64 -0.04 0.00 -0.45 0.00 0.00 34.95 30.67 1h1a s ARG 123 CO 0.11 -0.23 0.16 0.08 -0.68 0.00 0.00 175.30 174.74 1h1a s VAL 124 N 1.93 4.99 -1.18 3.52 1.01 -1.26 -0.73 120.40 128.67 1h1a s VAL 124 Ca 0.15 -0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.99 1h1a s VAL 124 Cb -0.16 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1h1a s VAL 124 CO 0.09 0.23 0.76 0.59 0.00 0.00 0.00 175.10 176.78 1h1a n ASN 125 N 5.02 -4.36 -4.52 3.32 5.03 -0.61 -4.92 115.26 114.23 1h1a n ASN 125 Ca -0.14 -0.94 -0.24 0.00 0.87 0.00 0.00 54.58 54.13 1h1a n ASN 125 Cb 0.51 -3.75 -0.09 0.00 -1.02 0.00 0.00 39.78 35.43 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 -3.53 2.84 0.44 5.41 0.00 0.17 -4.72 121.76 122.36 1h1a s ALA 126 Ca 0.35 -1.77 -0.26 0.00 0.00 0.00 0.00 51.96 50.29 1h1a s ALA 126 Cb -0.11 -0.43 -0.09 0.00 0.00 0.00 0.00 23.12 22.49 1h1a s ALA 126 CO 0.84 0.31 1.45 -2.14 0.00 0.00 0.00 175.76 176.21 1h1a s PRO 127 N -3.40 3.76 0.37 0.00 0.02 -1.26 -1.02 135.00 133.47 1h1a s PRO 127 Ca 0.29 2.46 -0.13 0.00 0.02 0.00 0.00 61.00 63.65 1h1a s PRO 127 Cb -0.06 -2.72 0.04 0.00 0.02 0.00 0.00 34.50 31.78 1h1a s PRO 127 CO 0.16 -0.77 0.72 -1.54 -0.33 0.00 0.00 177.00 175.23 1h1a s SER 128 N -0.42 0.21 0.04 2.53 1.04 -0.22 -4.86 113.70 112.02 1h1a s SER 128 Ca 0.59 -1.21 0.15 0.00 0.48 0.00 0.00 55.95 55.97 1h1a s SER 128 Cb -0.45 0.81 0.65 0.00 0.10 0.00 0.00 66.02 67.13 1h1a s SER 128 CO 0.58 -1.59 1.48 2.30 0.98 0.00 0.00 173.24 176.99 1h1a n ILE 129 N -0.54 1.03 -0.85 -1.02 -5.35 -1.26 -1.90 119.36 109.47 1h1a n ILE 129 Ca -0.06 0.27 0.08 0.00 -0.27 0.00 0.00 62.75 62.77 1h1a n ILE 129 Cb 0.60 -1.06 0.19 0.00 -1.74 0.00 0.00 39.64 37.64 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 -1.62 2.44 0.00 6.28 1.02 -1.26 -5.10 120.64 122.39 1h1a n GLU 130 Ca 0.03 -2.58 0.00 0.00 -0.02 0.00 0.00 57.16 54.59 1h1a n GLU 130 Cb 0.17 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 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 -0.67 -1.55 3.60 0.62 0.00 -0.80 -4.81 105.19 101.58 1h1a n GLY 131 Ca 0.17 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 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 4.13 0.30 2.61 2.01 -1.26 -1.06 115.64 122.37 1h1a s THR 132 Ca 0.00 1.12 0.04 0.00 0.31 0.00 0.00 61.69 63.17 1h1a s THR 132 Cb 0.00 -4.58 -0.03 0.00 0.01 0.00 0.00 72.50 67.89 1h1a s THR 132 CO 0.00 -1.05 0.21 -0.54 -0.69 0.00 0.00 174.62 172.55 1h1a s LYS 133 N 4.62 1.60 -0.19 4.92 -0.14 -0.19 -4.79 119.74 125.58 1h1a s LYS 133 Ca 0.49 -1.91 -0.02 0.00 -1.36 0.00 0.00 55.97 53.17 1h1a s LYS 133 Cb -0.08 0.17 -0.00 0.00 -1.68 0.00 0.00 37.83 36.24 1h1a s LYS 133 CO 0.31 -0.54 -0.11 0.99 -0.76 0.00 0.00 175.35 175.24 1h1a s THR 134 N -3.64 2.88 0.21 2.17 2.01 -1.26 0.42 115.64 118.44 1h1a s THR 134 Ca 0.38 -0.67 -0.15 0.00 0.31 0.00 0.00 61.69 61.56 1h1a s THR 134 Cb 0.04 -2.27 0.01 0.00 0.01 0.00 0.00 72.50 70.30 1h1a s THR 134 CO 0.21 0.48 0.48 0.72 -0.69 0.00 0.00 174.62 175.82 1h1a s PHE 135 N 1.19 0.09 0.16 4.92 -0.71 0.09 -4.94 117.98 118.78 1h1a s PHE 135 Ca 0.02 -0.45 -0.09 0.00 -1.04 0.00 0.00 56.93 55.37 1h1a s PHE 135 Cb -0.14 0.29 -0.06 0.00 -1.21 0.00 0.00 43.02 41.89 1h1a s PHE 135 CO -0.04 -0.92 0.47 0.71 -1.34 0.00 0.00 175.22 174.09 1h1a s TYR 136 N -3.93 3.51 -0.12 3.49 2.02 -1.25 0.59 117.35 121.66 1h1a s TYR 136 Ca 0.14 0.80 0.03 0.00 -0.37 0.00 0.00 57.07 57.67 1h1a s TYR 136 Cb -0.01 -2.19 0.01 0.00 -0.40 0.00 0.00 41.96 39.38 1h1a s TYR 136 CO 0.01 0.40 -0.20 -1.14 -1.57 0.00 0.00 175.55 173.05 1h1a s GLN 137 N -2.40 2.75 -0.06 -0.62 0.74 0.48 -2.16 119.66 118.38 1h1a s GLN 137 Ca 0.40 -0.76 0.02 0.00 0.05 0.00 0.00 55.36 55.07 1h1a s GLN 137 Cb -0.13 -2.20 -0.03 0.00 1.10 0.00 0.00 33.01 31.76 1h1a s GLN 137 CO 0.21 0.04 -0.10 0.71 -0.55 0.00 0.00 175.29 175.59 1h1a s TYR 138 N 0.70 2.83 0.05 1.67 1.51 0.12 -1.62 117.35 122.60 1h1a s TYR 138 Ca -0.11 -0.06 0.06 0.00 -1.01 0.00 0.00 57.07 55.94 1h1a s TYR 138 Cb -0.16 -1.67 -0.02 0.00 -0.11 0.00 0.00 41.96 39.99 1h1a s TYR 138 CO 0.02 0.26 -0.16 -1.58 -1.11 0.00 0.00 175.55 172.98 1h1a s TRP 139 N -0.76 1.43 -0.16 2.71 0.52 0.20 -1.19 118.94 121.67 1h1a s TRP 139 Ca 0.12 -0.37 -0.01 0.00 0.02 0.00 0.00 56.10 55.86 1h1a s TRP 139 Cb -0.11 -0.84 0.05 0.00 -1.15 0.00 0.00 33.47 31.42 1h1a s TRP 139 CO 0.01 0.06 -0.01 -1.12 0.02 0.00 0.00 176.95 175.91 1h1a s SER 140 N -1.23 2.71 -0.20 2.95 0.01 -0.40 -1.00 113.70 116.55 1h1a s SER 140 Ca 0.03 -0.66 -0.00 0.00 1.31 0.00 0.00 55.95 56.63 1h1a s SER 140 Cb -0.08 -0.72 0.02 0.00 0.21 0.00 0.00 66.02 65.44 1h1a s SER 140 CO 0.02 -0.24 -0.15 -0.69 0.41 0.00 0.00 173.24 172.59 1h1a s VAL 141 N 1.76 2.44 0.25 3.43 1.01 -0.41 0.16 120.40 129.05 1h1a s VAL 141 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 1h1a s VAL 141 Cb -0.16 -2.09 -0.11 0.00 0.00 0.00 0.00 36.38 34.03 1h1a s VAL 141 CO -0.07 0.45 1.51 -0.60 0.00 0.00 0.00 175.10 176.39 1h1a s ARG 142 N 1.33 4.21 0.52 2.72 3.52 -0.71 -1.45 118.95 129.10 1h1a s ARG 142 Ca 0.04 2.40 0.31 0.00 -0.13 0.00 0.00 55.73 58.35 1h1a s ARG 142 Cb -0.14 -3.09 1.13 0.00 -1.56 0.00 0.00 34.95 31.29 1h1a s ARG 142 CO -0.10 -0.52 1.90 1.79 -0.81 0.00 0.00 175.30 177.56 1h1a h THR 143 N 3.55 0.04 -3.35 4.11 1.35 -1.25 -3.40 112.91 113.96 1h1a h THR 143 Ca -0.46 -0.66 -0.56 0.00 -0.55 0.00 0.00 66.41 64.18 1h1a h THR 143 Cb 1.22 1.63 -0.38 0.00 -1.73 0.00 0.00 68.15 68.89 1h1a h THR 143 CO 0.80 0.02 -0.79 -0.55 -0.25 0.00 0.00 175.52 174.74 1h1a s SER 144 N -5.83 2.95 0.40 5.36 0.15 -1.26 -5.09 113.70 110.38 1h1a s SER 144 Ca 0.02 -0.72 -0.27 0.00 0.70 0.00 0.00 55.95 55.68 1h1a s SER 144 Cb 0.08 -0.96 -0.10 0.00 -1.71 0.00 0.00 66.02 63.34 1h1a s SER 144 CO 0.58 -0.19 1.44 -0.54 1.20 0.00 0.00 173.24 175.73 1h1a s LYS 145 N 1.60 3.97 0.09 5.44 1.02 -1.26 -4.97 119.74 125.63 1h1a s LYS 145 Ca 0.00 2.46 -0.12 0.00 0.02 0.00 0.00 55.97 58.33 1h1a s LYS 145 Cb -0.16 -2.85 0.01 0.00 -0.52 0.00 0.00 37.83 34.32 1h1a s LYS 145 CO -0.08 -0.60 0.27 -0.98 -0.92 0.00 0.00 175.35 173.05 1h1a s ARG 146 N -2.21 0.90 -0.30 1.68 1.70 -0.57 -5.00 118.95 115.15 1h1a s ARG 146 Ca 0.56 -0.79 0.13 0.00 -0.47 0.00 0.00 55.73 55.15 1h1a s ARG 146 Cb -0.44 0.38 0.47 0.00 -0.57 0.00 0.00 34.95 34.79 1h1a s ARG 146 CO 0.59 -0.31 1.14 0.25 -1.08 0.00 0.00 175.30 175.89 1h1a n THR 147 N 0.03 2.01 0.00 4.99 -2.24 -1.26 -3.92 114.28 113.90 1h1a n THR 147 Ca -0.16 -3.80 0.00 0.00 -2.27 0.00 0.00 64.05 57.82 1h1a n THR 147 Cb 0.62 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.61 2.60 0.00 3.38 0.00 -1.26 -1.63 105.19 107.66 1h1a n GLY 148 Ca 0.29 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.58 0.62 3.40 -0.02 0.00 0.05 -4.99 105.19 103.67 1h1a n GLY 149 Ca 0.00 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.33 2.67 -0.23 2.61 2.01 -1.26 -1.09 115.64 117.03 1h1a s THR 150 Ca 0.00 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.15 1h1a s THR 150 Cb 0.00 -2.01 0.04 0.00 0.01 0.00 0.00 72.50 70.54 1h1a s THR 150 CO 0.00 0.58 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.69 1h1a s VAL 151 N -0.60 2.05 -0.85 3.82 1.01 0.25 -4.77 120.40 121.31 1h1a s VAL 151 Ca 0.09 -1.32 -0.18 0.00 0.00 0.00 0.00 61.98 60.57 1h1a s VAL 151 Cb -0.11 -2.06 0.14 0.00 0.00 0.00 0.00 36.38 34.35 1h1a s VAL 151 CO 0.00 0.18 0.99 -0.89 0.00 0.00 0.00 175.10 175.39 1h1a s THR 152 N 1.21 4.91 0.45 3.92 2.01 -1.26 -0.77 115.64 126.10 1h1a s THR 152 Ca -0.03 -1.64 0.20 0.00 0.31 0.00 0.00 61.69 60.53 1h1a s THR 152 Cb -0.17 -4.67 0.40 0.00 0.01 0.00 0.00 72.50 68.06 1h1a s THR 152 CO -0.08 -1.36 1.87 0.24 -0.69 0.00 0.00 174.62 174.61 1h1a h MET 153 N 8.68 0.31 -0.91 4.92 2.86 -1.69 -1.97 114.93 127.13 1h1a h MET 153 Ca 0.07 -0.02 0.16 0.00 -2.06 0.00 0.00 59.70 57.85 1h1a h MET 153 Cb 1.04 -0.07 -0.10 0.00 0.06 0.00 0.00 31.60 32.53 1h1a h MET 153 CO 1.03 0.20 0.51 0.00 1.06 0.00 0.00 176.91 179.71 1h1a h ALA 154 N 1.61 1.42 -0.07 6.32 0.00 -1.70 0.04 119.26 126.87 1h1a h ALA 154 Ca 0.44 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.33 1h1a h ALA 154 Cb 1.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1h1a h ALA 154 CO -0.14 -0.04 -0.41 -0.91 0.00 0.00 0.00 179.25 177.75 1h1a h ASN 155 N 0.71 0.16 0.00 0.00 2.35 -1.65 -1.70 115.58 115.45 1h1a h ASN 155 Ca 0.50 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 56.10 1h1a h ASN 155 Cb 0.71 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 39.04 1h1a h ASN 155 CO -0.36 0.56 -0.33 0.45 -1.65 0.00 0.00 177.43 176.10 1h1a h HIS 156 N 0.13 0.33 -0.92 1.19 3.86 -1.19 -2.91 115.15 115.64 1h1a h HIS 156 Ca 0.01 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.03 1h1a h HIS 156 Cb 0.79 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 29.18 1h1a h HIS 156 CO 0.01 1.00 0.52 0.74 0.86 0.00 0.00 177.93 181.06 1h1a h PHE 157 N -0.43 1.25 -0.17 2.45 0.04 -1.06 0.89 116.94 119.92 1h1a h PHE 157 Ca -0.04 -0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.75 1h1a h PHE 157 Cb 1.09 -0.40 -0.04 0.00 2.20 0.00 0.00 35.95 38.80 1h1a h PHE 157 CO 0.18 0.85 -0.09 -0.97 -0.60 0.00 0.00 178.31 177.68 1h1a h ASN 158 N 1.28 -0.29 -0.45 2.17 -0.00 -1.38 0.44 115.58 117.36 1h1a h ASN 158 Ca 0.33 0.07 -0.01 0.00 -0.00 0.00 0.00 56.30 56.68 1h1a h ASN 158 Cb -0.00 0.16 -0.02 0.00 -0.00 0.00 0.00 38.32 38.45 1h1a h ASN 158 CO -0.06 -0.12 0.23 0.00 -0.00 0.00 0.00 177.43 177.49 1h1a h ALA 159 N 1.07 0.58 -0.52 1.57 0.00 -1.22 -2.81 119.26 117.93 1h1a h ALA 159 Ca 0.09 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1h1a h ALA 159 Cb 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1h1a h ALA 159 CO -0.21 0.12 -0.05 -1.49 0.00 0.00 0.00 179.25 177.62 1h1a h TRP 160 N 0.58 1.00 -0.66 0.00 6.55 -0.30 -2.56 115.95 120.57 1h1a h TRP 160 Ca 0.16 -0.17 0.05 0.00 0.95 0.00 0.00 58.89 59.88 1h1a h TRP 160 Cb 0.09 -0.26 -0.05 0.00 -0.86 0.00 0.00 29.16 28.07 1h1a h TRP 160 CO -0.02 0.92 0.37 0.00 -1.05 0.00 0.00 178.44 178.67 1h1a h ARG 161 N 0.84 0.67 0.00 0.49 3.08 0.03 0.97 114.38 120.45 1h1a h ARG 161 Ca 0.15 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1h1a h ARG 161 Cb 0.56 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1h1a h ARG 161 CO 0.03 0.44 -0.19 1.96 -1.07 0.00 0.00 179.97 181.15 1h1a h GLN 162 N 0.69 0.00 -0.09 0.04 4.20 -1.32 -1.47 115.11 117.15 1h1a h GLN 162 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 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 -0.17 0.19 0.00 0.00 -0.67 0.00 0.00 178.83 178.17 1h1a n ALA 163 N -2.32 2.56 0.00 3.87 0.00 0.18 -4.88 120.51 119.92 1h1a n ALA 163 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1h1a n ALA 163 Cb 0.30 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.99 1.15 3.67 0.00 0.00 -0.56 -5.05 105.19 105.40 1h1a n GLY 164 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1h1a n GLY 164 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1h1a s LEU 165 N 0.00 4.28 -0.20 0.99 0.20 -0.32 -4.97 118.68 118.67 1h1a s LEU 165 Ca 0.00 2.03 -0.05 0.00 0.69 0.00 0.00 54.13 56.80 1h1a s LEU 165 Cb 0.00 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.19 1h1a s LEU 165 CO 0.00 -0.80 0.00 -1.10 -0.29 0.00 0.00 176.35 174.16 1h1a s GLN 166 N 3.30 3.65 -0.39 1.98 -0.21 -1.26 -4.23 119.66 122.49 1h1a s GLN 166 Ca 0.65 -0.51 -0.13 0.00 0.02 0.00 0.00 55.36 55.39 1h1a s GLN 166 Cb -0.29 -3.08 0.02 0.00 1.00 0.00 0.00 33.01 30.66 1h1a s GLN 166 CO 0.24 0.05 0.25 -1.17 -2.12 0.00 0.00 175.29 172.55 1h1a s LEU 167 N 0.90 4.90 0.00 2.90 2.96 -1.26 -4.20 118.68 124.87 1h1a s LEU 167 Ca 0.01 -0.93 0.00 0.00 -0.22 0.00 0.00 54.13 52.99 1h1a s LEU 167 Cb -0.14 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.45 1h1a s LEU 167 CO 0.02 -0.41 0.00 0.61 -1.32 0.00 0.00 176.35 175.25 1h1a n GLY 168 N 5.08 -0.21 3.10 7.98 0.00 -1.10 -4.96 105.19 115.09 1h1a n GLY 168 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 1h1a n GLY 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h1a s SER 169 N -2.84 0.11 0.09 1.61 1.04 -0.23 -4.95 113.70 108.52 1h1a s SER 169 Ca 0.00 -0.38 -0.22 0.00 0.48 0.00 0.00 55.95 55.84 1h1a s SER 169 Cb 0.00 0.21 -0.07 0.00 0.10 0.00 0.00 66.02 66.26 1h1a s SER 169 CO 0.00 -0.43 0.65 -1.00 0.98 0.00 0.00 173.24 173.44 1h1a s HIS 170 N -1.97 3.82 0.00 5.02 3.76 -1.26 0.98 115.29 125.64 1h1a s HIS 170 Ca -0.10 1.39 0.00 0.00 -0.15 0.00 0.00 55.06 56.20 1h1a s HIS 170 Cb -0.05 -2.62 0.00 0.00 1.11 0.00 0.00 32.58 31.02 1h1a s HIS 170 CO -0.01 0.51 0.00 -3.47 -0.85 0.00 0.00 174.74 170.92 1h1a n ASP 171 N 1.89 0.00 -4.76 1.40 2.03 0.21 -4.50 116.55 112.83 1h1a n ASP 171 Ca -0.08 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.92 1h1a n ASP 171 Cb 0.50 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 41.00 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 3.78 2.52 -0.25 -0.67 -0.85 -1.26 -1.05 117.35 119.57 1h1a s TYR 172 Ca 0.00 1.49 -0.02 0.00 -0.52 0.00 0.00 57.07 58.02 1h1a s TYR 172 Cb 0.00 -3.07 0.13 0.00 0.38 0.00 0.00 41.96 39.40 1h1a s TYR 172 CO 0.00 -1.93 0.33 -1.14 -1.52 0.00 0.00 175.55 171.28 1h1a s GLN 173 N -4.91 0.31 0.18 -3.49 0.74 0.58 -1.80 119.66 111.26 1h1a s GLN 173 Ca 0.62 0.25 0.03 0.00 0.05 0.00 0.00 55.36 56.31 1h1a s GLN 173 Cb -0.17 -0.67 -0.05 0.00 1.10 0.00 0.00 33.01 33.22 1h1a s GLN 173 CO 0.56 -0.79 -0.03 0.96 -0.55 0.00 0.00 175.29 175.44 1h1a s ILE 174 N 2.45 0.94 -0.53 -2.34 -4.36 0.64 -0.34 121.20 117.65 1h1a s ILE 174 Ca 0.10 -2.02 -0.17 0.00 -0.26 0.00 0.00 60.65 58.30 1h1a s ILE 174 Cb -0.15 -2.09 0.10 0.00 1.25 0.00 0.00 42.46 41.57 1h1a s ILE 174 CO -0.21 -0.53 0.53 -0.69 0.24 0.00 0.00 174.94 174.29 1h1a s VAL 175 N -3.48 5.09 0.25 8.37 1.01 -0.25 0.79 120.40 132.18 1h1a s VAL 175 Ca 0.23 -1.17 0.08 0.00 0.00 0.00 0.00 61.98 61.11 1h1a s VAL 175 Cb 0.05 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1h1a s VAL 175 CO 0.04 -0.85 0.14 0.00 0.00 0.00 0.00 175.10 174.44 1h1a s ALA 176 N 1.96 3.48 0.04 5.51 0.00 0.83 -3.49 121.76 130.09 1h1a s ALA 176 Ca 0.06 -1.46 0.08 0.00 0.00 0.00 0.00 51.96 50.63 1h1a s ALA 176 Cb -0.26 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 1h1a s ALA 176 CO 0.06 0.27 -0.20 0.99 0.00 0.00 0.00 175.76 176.88 1h1a s THR 177 N -2.16 2.66 0.05 0.00 2.01 -0.36 -1.02 115.64 116.82 1h1a s THR 177 Ca 0.32 -1.23 0.01 0.00 0.31 0.00 0.00 61.69 61.10 1h1a s THR 177 Cb -0.08 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 1h1a s THR 177 CO 0.24 0.34 -0.05 -0.70 -0.69 0.00 0.00 174.62 173.76 1h1a s GLU 178 N -1.40 0.53 -0.07 4.92 -6.30 -0.19 -1.73 118.70 114.45 1h1a s GLU 178 Ca 0.14 -0.91 -0.10 0.00 -2.50 0.00 0.00 54.97 51.60 1h1a s GLU 178 Cb -0.10 -0.04 0.02 0.00 0.00 0.00 0.00 34.13 34.01 1h1a s GLU 178 CO 0.05 -0.03 0.26 0.20 0.02 0.00 0.00 175.26 175.75 1h1a s GLY 179 N -2.09 -0.16 -0.21 -1.50 0.00 -0.61 -2.29 107.32 100.47 1h1a s GLY 179 Ca -0.04 0.57 -0.03 0.00 0.00 0.00 0.00 44.72 45.22 1h1a s GLY 179 CO -0.03 0.45 0.07 -0.47 0.00 0.00 0.00 173.10 173.11 1h1a s TYR 180 N -0.28 0.75 -1.43 1.90 5.04 -0.38 -1.76 117.35 121.18 1h1a s TYR 180 Ca -0.04 -0.76 -0.02 0.00 -2.44 0.00 0.00 57.07 53.82 1h1a s TYR 180 Cb -0.03 -0.96 0.00 0.00 0.35 0.00 0.00 41.96 41.32 1h1a s TYR 180 CO 0.01 -0.62 0.31 0.66 -1.34 0.00 0.00 175.55 174.57 1h1a n TYR 181 N 5.13 -1.54 -3.90 4.97 4.02 0.10 -4.33 117.16 121.62 1h1a n TYR 181 Ca -0.08 0.68 0.00 0.00 -0.01 0.00 0.00 57.90 58.49 1h1a n TYR 181 Cb 0.47 -3.44 0.00 0.00 -0.02 0.00 0.00 39.34 36.35 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 -2.93 0.24 -4.05 7.72 3.41 -1.23 -4.72 113.62 112.06 1h1a n SER 182 Ca -0.31 -0.90 -0.10 0.00 -0.26 0.00 0.00 58.87 57.31 1h1a n SER 182 Cb 0.68 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.57 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 -0.80 0.00 0.00 4.04 1.04 -1.00 -3.66 113.70 113.33 1h1a s SER 183 Ca 0.00 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1h1a s SER 183 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1h1a s SER 183 CO 0.00 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.78 1h1a n GLY 184 N -0.35 0.40 3.27 7.32 0.00 -0.40 -0.80 105.19 114.63 1h1a n GLY 184 Ca -0.00 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.00 -0.27 1.61 1.04 -0.91 -1.06 113.70 110.11 1h1a s SER 185 Ca 0.00 -0.58 -0.25 0.00 0.48 0.00 0.00 55.95 55.60 1h1a s SER 185 Cb 0.00 0.40 0.11 0.00 0.10 0.00 0.00 66.02 66.63 1h1a s SER 185 CO 0.00 -0.80 0.97 0.00 0.98 0.00 0.00 173.24 174.39 1h1a s ALA 186 N -3.86 -1.93 -0.12 5.32 0.00 -0.43 -1.01 121.76 119.72 1h1a s ALA 186 Ca 0.06 1.88 0.01 0.00 0.00 0.00 0.00 51.96 53.91 1h1a s ALA 186 Cb 0.04 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.85 1h1a s ALA 186 CO -0.09 -0.26 -0.14 0.99 0.00 0.00 0.00 175.76 176.25 1h1a s THR 187 N 0.16 1.47 -0.07 0.00 2.01 -0.82 -0.93 115.64 117.46 1h1a s THR 187 Ca 0.02 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.46 1h1a s THR 187 Cb -0.05 -1.37 0.00 0.00 0.01 0.00 0.00 72.50 71.10 1h1a s THR 187 CO -0.04 0.44 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.47 1h1a s VAL 188 N 1.24 1.47 -0.24 3.82 1.01 -0.23 -0.70 120.40 126.77 1h1a s VAL 188 Ca -0.01 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1h1a s VAL 188 Cb -0.14 -1.30 0.05 0.00 0.00 0.00 0.00 36.38 34.99 1h1a s VAL 188 CO -0.06 0.43 -0.12 0.21 0.00 0.00 0.00 175.10 175.57 1h1a s ASN 189 N 0.40 4.19 -0.16 3.32 2.47 -0.31 -1.23 114.94 123.62 1h1a s ASN 189 Ca -0.13 -1.18 -0.19 0.00 0.42 0.00 0.00 52.86 51.78 1h1a s ASN 189 Cb -0.15 -1.56 -0.04 0.00 -1.45 0.00 0.00 41.25 38.05 1h1a s ASN 189 CO 0.05 -0.15 0.51 -0.69 -3.72 0.00 0.00 177.10 173.10 1h1a s VAL 190 N 1.17 5.13 0.00 -5.21 1.01 0.84 -2.10 120.40 121.25 1h1a s VAL 190 Ca -0.05 0.98 0.00 0.00 0.00 0.00 0.00 61.98 62.91 1h1a s VAL 190 Cb -0.18 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1h1a s VAL 190 CO -0.06 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.88