#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sos n THR 2 N 0.00 0.00 -3.83 0.00 -1.04 -1.26 -4.79 114.28 103.36 1sos n THR 2 Ca 0.00 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.05 61.65 1sos n THR 2 Cb 0.00 0.49 -0.11 0.00 -1.82 0.00 0.00 70.33 68.90 1sos n THR 2 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1sos s LYS 3 N -2.45 0.39 0.12 -2.82 1.02 -1.26 -1.61 119.74 113.12 1sos s LYS 3 Ca -0.01 -0.09 -0.07 0.00 0.02 0.00 0.00 55.97 55.81 1sos s LYS 3 Cb 0.07 0.17 -0.01 0.00 -0.52 0.00 0.00 37.83 37.53 1sos s LYS 3 CO 0.41 -0.08 0.19 0.00 -0.92 0.00 0.00 175.35 174.94 1sos s ALA 4 N -0.73 0.07 0.07 5.17 0.00 -0.28 -1.28 121.76 124.77 1sos s ALA 4 Ca -0.08 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.00 1sos s ALA 4 Cb -0.05 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 1sos s ALA 4 CO 0.01 -0.55 -0.05 0.54 0.00 0.00 0.00 175.76 175.72 1sos s VAL 5 N -3.93 0.44 -0.03 0.00 0.11 -0.02 -0.41 120.40 116.55 1sos s VAL 5 Ca 0.12 -1.70 0.00 0.00 -2.93 0.00 0.00 61.98 57.47 1sos s VAL 5 Cb 0.05 -1.38 0.03 0.00 -1.53 0.00 0.00 36.38 33.55 1sos s VAL 5 CO -0.05 -0.84 -0.00 0.00 -3.33 0.00 0.00 175.10 170.88 1sos s ALA 6 N -3.30 0.36 -0.39 1.54 0.00 0.54 -1.39 121.76 119.13 1sos s ALA 6 Ca 0.05 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.02 1sos s ALA 6 Cb 0.03 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.81 1sos s ALA 6 CO -0.06 -0.11 0.24 0.08 0.00 0.00 0.00 175.76 175.91 1sos s VAL 7 N 1.12 4.83 -0.15 0.00 1.01 -1.26 -1.20 120.40 124.74 1sos s VAL 7 Ca -0.08 -0.77 -0.26 0.00 0.00 0.00 0.00 61.98 60.87 1sos s VAL 7 Cb -0.13 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1sos s VAL 7 CO -0.02 -0.25 0.84 -0.76 0.00 0.00 0.00 175.10 174.91 1sos s LEU 8 N 1.60 4.20 0.09 3.92 1.02 0.03 -4.04 118.68 125.49 1sos s LEU 8 Ca 0.03 1.22 -0.00 0.00 0.02 0.00 0.00 54.13 55.40 1sos s LEU 8 Cb -0.19 -3.26 -0.04 0.00 0.02 0.00 0.00 46.19 42.72 1sos s LEU 8 CO 0.08 -0.38 -0.02 -0.54 0.02 0.00 0.00 176.35 175.51 1sos s LYS 9 N 2.00 0.76 0.03 1.70 3.01 -0.05 -1.94 119.74 125.25 1sos s LYS 9 Ca 0.39 -1.31 -0.01 0.00 -1.01 0.00 0.00 55.97 54.03 1sos s LYS 9 Cb -0.17 0.06 0.00 0.00 -1.01 0.00 0.00 37.83 36.72 1sos s LYS 9 CO 0.14 -0.11 0.06 0.41 0.51 0.00 0.00 175.35 176.35 1sos n GLY 10 N 0.01 1.96 0.26 -3.33 0.00 -1.21 -1.64 105.19 101.25 1sos n GLY 10 Ca -0.11 -1.04 0.14 0.00 0.00 0.00 0.00 46.02 45.00 1sos n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sos n ASP 11 N -1.08 0.91 0.00 1.61 8.00 -1.26 -4.88 116.55 119.84 1sos n ASP 11 Ca -0.01 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1sos n ASP 11 Cb 0.04 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1sos n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sos n GLY 12 N 1.21 6.17 0.07 0.44 0.00 -1.26 -5.01 105.19 106.80 1sos n GLY 12 Ca 0.17 -1.93 0.10 0.00 0.00 0.00 0.00 46.02 44.36 1sos n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sos n PRO 13 N 0.00 1.09 -3.79 1.61 -0.04 -1.26 -4.80 135.00 127.80 1sos n PRO 13 Ca 0.00 -0.13 -0.35 0.00 -0.04 0.00 0.00 63.50 62.97 1sos n PRO 13 Cb 0.00 -1.32 -0.09 0.00 -0.04 0.00 0.00 33.50 32.05 1sos n PRO 13 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sos s VAL 14 N -1.98 5.17 -0.00 0.52 0.11 -1.26 -4.23 120.40 118.73 1sos s VAL 14 Ca 0.30 0.11 -0.16 0.00 -2.93 0.00 0.00 61.98 59.30 1sos s VAL 14 Cb 0.14 -3.37 0.03 0.00 -1.53 0.00 0.00 36.38 31.65 1sos s VAL 14 CO 0.23 0.41 0.35 0.00 -3.33 0.00 0.00 175.10 172.76 1sos s GLN 15 N 0.62 0.74 0.12 1.54 -2.07 -1.14 -3.33 119.66 116.15 1sos s GLN 15 Ca 0.06 -0.22 -0.25 0.00 -1.82 0.00 0.00 55.36 53.13 1sos s GLN 15 Cb -0.12 0.33 0.08 0.00 -1.09 0.00 0.00 33.01 32.21 1sos s GLN 15 CO 0.01 -0.22 1.09 0.20 -1.32 0.00 0.00 175.29 175.05 1sos s GLY 16 N -1.50 -0.07 -0.08 2.60 0.00 -0.82 -1.37 107.32 106.08 1sos s GLY 16 Ca -0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 44.72 44.57 1sos s GLY 16 CO 0.03 1.94 -0.04 -0.42 0.00 0.00 0.00 173.10 174.60 1sos s ILE 17 N -2.45 0.68 -0.02 0.90 1.01 -0.59 -0.79 121.20 119.95 1sos s ILE 17 Ca 0.19 -0.11 0.08 0.00 0.00 0.00 0.00 60.65 60.81 1sos s ILE 17 Cb -0.01 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 1sos s ILE 17 CO 0.03 0.30 -0.25 -0.63 0.00 0.00 0.00 174.94 174.39 1sos s ILE 18 N 1.59 2.19 0.14 2.92 -1.09 -0.34 -2.19 121.20 124.41 1sos s ILE 18 Ca 0.00 -1.10 0.11 0.00 -2.23 0.00 0.00 60.65 57.44 1sos s ILE 18 Cb -0.13 -1.78 -0.04 0.00 -1.58 0.00 0.00 42.46 38.93 1sos s ILE 18 CO -0.05 0.55 -0.26 0.20 -1.23 0.00 0.00 174.94 174.16 1sos s ASN 19 N -0.70 3.23 -0.01 3.58 0.01 -0.11 -0.34 114.94 120.60 1sos s ASN 19 Ca 0.10 -0.76 0.03 0.00 -0.71 0.00 0.00 52.86 51.52 1sos s ASN 19 Cb -0.10 -0.21 -0.00 0.00 0.41 0.00 0.00 41.25 41.34 1sos s ASN 19 CO -0.00 0.15 -0.10 -0.36 -1.51 0.00 0.00 177.10 175.28 1sos s PHE 20 N -1.17 0.91 -0.05 2.20 0.08 0.45 -2.15 117.98 118.25 1sos s PHE 20 Ca 0.14 -0.19 -0.01 0.00 0.12 0.00 0.00 56.93 56.99 1sos s PHE 20 Cb -0.10 -0.61 0.03 0.00 -0.57 0.00 0.00 43.02 41.77 1sos s PHE 20 CO 0.06 -0.04 0.02 -2.00 -0.10 0.00 0.00 175.22 173.16 1sos s GLU 21 N -0.10 0.33 -0.30 0.44 2.12 -0.24 -1.13 118.70 119.82 1sos s GLU 21 Ca 0.02 0.17 -0.01 0.00 0.36 0.00 0.00 54.97 55.51 1sos s GLU 21 Cb -0.05 -0.69 0.06 0.00 0.26 0.00 0.00 34.13 33.70 1sos s GLU 21 CO -0.00 -0.25 -0.01 -1.14 -0.54 0.00 0.00 175.26 173.32 1sos s GLN 22 N 1.70 2.33 0.37 4.30 0.74 -0.64 -0.64 119.66 127.82 1sos s GLN 22 Ca -0.00 -1.34 0.09 0.00 0.05 0.00 0.00 55.36 54.16 1sos s GLN 22 Cb -0.13 -3.15 0.71 0.00 1.10 0.00 0.00 33.01 31.55 1sos s GLN 22 CO -0.03 -0.65 1.87 0.87 -0.55 0.00 0.00 175.29 176.80 1sos h LYS 23 N 7.94 0.25 -3.43 1.67 1.79 -1.83 -3.42 116.57 119.55 1sos h LYS 23 Ca -0.19 -0.07 -0.13 0.00 -2.18 0.00 0.00 60.65 58.07 1sos h LYS 23 Cb 1.05 -0.03 -0.20 0.00 -1.58 0.00 0.00 32.23 31.47 1sos h LYS 23 CO 0.53 0.43 -0.44 -1.83 -1.08 0.00 0.00 179.45 177.06 1sos s GLU 24 N -4.62 0.55 0.33 3.15 -1.05 -1.26 -5.05 118.70 110.74 1sos s GLU 24 Ca -0.05 -0.39 0.16 0.00 -0.15 0.00 0.00 54.97 54.54 1sos s GLU 24 Cb 0.15 0.23 1.13 0.00 -0.44 0.00 0.00 34.13 35.20 1sos s GLU 24 CO 0.74 -0.14 1.43 -1.13 0.95 0.00 0.00 175.26 177.11 1sos n SER 25 N 1.32 0.25 -0.73 0.83 3.41 -1.26 -0.68 113.62 116.75 1sos n SER 25 Ca -0.22 1.51 0.08 0.00 -0.26 0.00 0.00 58.87 59.97 1sos n SER 25 Cb 0.56 -0.70 0.13 0.00 -0.26 0.00 0.00 64.21 63.93 1sos n SER 25 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1sos n ASN 26 N -5.09 2.70 -4.63 4.04 6.94 -1.26 -4.88 115.26 113.08 1sos n ASN 26 Ca 0.32 -1.79 -0.24 0.00 -0.02 0.00 0.00 54.58 52.85 1sos n ASN 26 Cb 1.09 -0.13 0.12 0.00 -2.36 0.00 0.00 39.78 38.50 1sos n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1sos s GLY 27 N -1.17 1.74 0.65 4.83 0.00 0.14 -5.08 107.32 108.44 1sos s GLY 27 Ca 0.24 -1.89 -0.15 0.00 0.00 0.00 0.00 44.72 42.92 1sos s GLY 27 CO 0.20 -1.26 1.10 2.56 0.00 0.00 0.00 173.10 175.70 1sos s PRO 28 N -5.19 2.90 -0.20 2.90 0.04 -1.26 -4.86 135.00 129.34 1sos s PRO 28 Ca 0.68 1.32 -0.03 0.00 0.04 0.00 0.00 61.00 63.01 1sos s PRO 28 Cb -0.04 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1sos s PRO 28 CO 0.45 -1.16 -0.07 0.54 0.04 0.00 0.00 177.00 176.80 1sos s VAL 29 N -2.42 3.26 0.14 -0.36 0.11 -0.50 -4.26 120.40 116.37 1sos s VAL 29 Ca 0.66 -0.54 -0.30 0.00 -2.93 0.00 0.00 61.98 58.86 1sos s VAL 29 Cb -0.19 -2.45 -0.06 0.00 -1.53 0.00 0.00 36.38 32.14 1sos s VAL 29 CO 0.42 0.46 1.02 -0.54 -3.33 0.00 0.00 175.10 173.12 1sos s LYS 30 N 1.16 4.65 -0.09 1.54 1.02 0.18 -2.26 119.74 125.94 1sos s LYS 30 Ca 0.02 1.56 0.01 0.00 0.02 0.00 0.00 55.97 57.58 1sos s LYS 30 Cb -0.14 -3.34 0.02 0.00 -0.52 0.00 0.00 37.83 33.85 1sos s LYS 30 CO -0.02 0.15 -0.09 0.54 -0.92 0.00 0.00 175.35 175.01 1sos s VAL 31 N -0.07 1.05 0.05 3.17 0.11 0.72 -1.08 120.40 124.35 1sos s VAL 31 Ca 0.48 -0.36 -0.01 0.00 -2.93 0.00 0.00 61.98 59.16 1sos s VAL 31 Cb -0.26 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.53 1sos s VAL 31 CO 0.32 0.36 -0.03 -1.66 -3.33 0.00 0.00 175.10 170.75 1sos s TRP 32 N 1.24 0.52 -5.00 1.54 -2.14 -0.91 -0.74 118.94 113.44 1sos s TRP 32 Ca -0.04 -1.06 0.00 0.00 2.66 0.00 0.00 56.10 57.66 1sos s TRP 32 Cb -0.14 -0.39 0.00 0.00 -3.10 0.00 0.00 33.47 29.84 1sos s TRP 32 CO -0.03 -0.38 0.00 0.41 -2.66 0.00 0.00 176.95 174.29 1sos n GLY 33 N 0.12 -0.45 3.23 3.67 0.00 -0.91 -0.93 105.19 109.92 1sos n GLY 33 Ca -0.14 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 1sos n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sos s SER 34 N -4.00 -0.07 -0.02 1.61 1.04 -0.93 -1.26 113.70 110.08 1sos s SER 34 Ca 0.00 -0.26 0.04 0.00 0.48 0.00 0.00 55.95 56.21 1sos s SER 34 Cb 0.00 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 1sos s SER 34 CO 0.00 -0.60 -0.14 -0.63 0.98 0.00 0.00 173.24 172.85 1sos s ILE 35 N -2.59 1.15 0.30 -1.02 1.01 -0.85 -1.54 121.20 117.66 1sos s ILE 35 Ca -0.05 -0.61 0.10 0.00 0.00 0.00 0.00 60.65 60.10 1sos s ILE 35 Cb -0.01 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.44 1sos s ILE 35 CO -0.04 0.33 -0.09 -0.54 0.00 0.00 0.00 174.94 174.60 1sos s LYS 36 N -0.24 1.92 0.00 2.79 1.02 -0.47 -0.65 119.74 124.11 1sos s LYS 36 Ca 0.03 -1.72 0.00 0.00 0.02 0.00 0.00 55.97 54.30 1sos s LYS 36 Cb -0.07 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 1sos s LYS 36 CO -0.00 0.26 0.00 0.41 -0.92 0.00 0.00 175.35 175.10 1sos n GLY 37 N -0.78 0.66 3.93 -3.33 0.00 -0.71 -2.89 105.19 102.07 1sos n GLY 37 Ca -0.05 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 1sos n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sos s LEU 38 N 0.00 4.27 0.62 0.99 1.02 -0.79 -4.36 118.68 120.42 1sos s LEU 38 Ca 0.00 0.32 -0.10 0.00 0.02 0.00 0.00 54.13 54.38 1sos s LEU 38 Cb 0.00 -3.08 -0.02 0.00 0.02 0.00 0.00 46.19 43.11 1sos s LEU 38 CO 0.00 -0.00 1.00 0.42 0.02 0.00 0.00 176.35 177.78 1sos s THR 39 N -1.81 4.26 0.42 5.49 -4.23 -1.26 -4.12 115.64 114.39 1sos s THR 39 Ca 0.37 0.55 -0.25 0.00 -1.18 0.00 0.00 61.69 61.19 1sos s THR 39 Cb -0.11 -3.71 -0.08 0.00 1.34 0.00 0.00 72.50 69.94 1sos s THR 39 CO 0.29 -0.87 1.23 -1.61 -0.54 0.00 0.00 174.62 173.11 1sos s GLU 40 N -5.14 3.92 0.00 3.99 2.02 -1.26 -4.57 118.70 117.66 1sos s GLU 40 Ca 0.55 1.97 0.00 0.00 0.02 0.00 0.00 54.97 57.51 1sos s GLU 40 Cb -0.11 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.48 1sos s GLU 40 CO 0.51 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.73 1sos n GLY 41 N 0.63 -0.73 3.77 -1.39 0.00 0.12 -4.88 105.19 102.71 1sos n GLY 41 Ca 0.05 -2.15 -0.39 0.00 0.00 0.00 0.00 46.02 43.53 1sos n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sos s LEU 42 N 0.00 4.44 -0.04 0.99 1.02 -1.26 -1.01 118.68 122.82 1sos s LEU 42 Ca 0.00 2.08 -0.02 0.00 0.02 0.00 0.00 54.13 56.21 1sos s LEU 42 Cb 0.00 -3.82 0.03 0.00 0.02 0.00 0.00 46.19 42.43 1sos s LEU 42 CO 0.00 -0.15 0.09 -1.00 0.02 0.00 0.00 176.35 175.32 1sos s HIS 43 N -1.35 -0.08 0.45 0.29 3.76 -0.72 -3.37 115.29 114.26 1sos s HIS 43 Ca 0.48 0.31 -0.25 0.00 -0.15 0.00 0.00 55.06 55.45 1sos s HIS 43 Cb -0.26 -0.13 -0.09 0.00 1.11 0.00 0.00 32.58 33.22 1sos s HIS 43 CO 0.33 -0.12 1.30 0.41 -0.85 0.00 0.00 174.74 175.82 1sos n GLY 44 N 4.04 0.64 2.77 -2.22 0.00 -0.17 -1.31 105.19 108.94 1sos n GLY 44 Ca -0.25 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 1sos n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sos s PHE 45 N -1.22 0.80 0.14 1.61 5.36 -0.00 -0.84 117.98 123.82 1sos s PHE 45 Ca 0.63 -0.37 -0.13 0.00 -0.96 0.00 0.00 56.93 56.11 1sos s PHE 45 Cb -0.48 -0.88 0.01 0.00 -0.34 0.00 0.00 43.02 41.33 1sos s PHE 45 CO 0.56 -0.41 0.34 -1.01 -1.46 0.00 0.00 175.22 173.24 1sos s HIS 46 N 1.93 0.06 -0.22 10.12 3.76 -0.27 -2.32 115.29 128.35 1sos s HIS 46 Ca 0.04 -0.42 -0.05 0.00 -0.15 0.00 0.00 55.06 54.47 1sos s HIS 46 Cb -0.13 0.12 -0.02 0.00 1.11 0.00 0.00 32.58 33.66 1sos s HIS 46 CO -0.06 -0.71 -0.01 0.08 -0.85 0.00 0.00 174.74 173.19 1sos s VAL 47 N -3.87 3.74 0.13 -0.90 1.01 -0.34 -0.21 120.40 119.95 1sos s VAL 47 Ca 0.08 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1sos s VAL 47 Cb 0.02 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1sos s VAL 47 CO -0.07 0.40 0.23 -1.00 0.00 0.00 0.00 175.10 174.66 1sos s HIS 48 N 1.40 3.41 0.41 5.22 3.76 0.62 -1.68 115.29 128.42 1sos s HIS 48 Ca 0.05 0.11 0.08 0.00 -0.15 0.00 0.00 55.06 55.16 1sos s HIS 48 Cb -0.15 -1.65 0.88 0.00 1.11 0.00 0.00 32.58 32.77 1sos s HIS 48 CO -0.00 0.53 2.02 1.49 -0.85 0.00 0.00 174.74 177.93 1sos h GLU 49 N 2.44 0.54 -6.53 1.40 4.81 -0.84 -1.99 114.58 114.42 1sos h GLU 49 Ca -0.48 -0.03 -0.70 0.00 -0.13 0.00 0.00 59.36 58.02 1sos h GLU 49 Cb 1.19 -0.12 -0.28 0.00 0.63 0.00 0.00 28.75 30.17 1sos h GLU 49 CO 0.69 0.36 -0.85 -0.06 -0.73 0.00 0.00 179.01 178.41 1sos s PHE 50 N -5.50 2.44 -1.19 0.92 0.08 -0.20 -4.75 117.98 109.78 1sos s PHE 50 Ca -0.08 -0.35 -0.04 0.00 0.12 0.00 0.00 56.93 56.58 1sos s PHE 50 Cb 0.18 -1.54 0.21 0.00 -0.57 0.00 0.00 43.02 41.31 1sos s PHE 50 CO 0.74 0.03 2.08 0.41 -0.10 0.00 0.00 175.22 178.39 1sos n GLY 51 N 2.38 5.56 3.23 4.36 0.00 -0.66 -3.62 105.19 116.43 1sos n GLY 51 Ca -0.16 -2.30 -0.37 0.00 0.00 0.00 0.00 46.02 43.19 1sos n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sos s ASP 52 N -0.40 5.25 -0.08 1.61 -1.08 -1.26 -4.91 116.67 115.80 1sos s ASP 52 Ca 0.46 -1.35 0.16 0.00 -0.52 0.00 0.00 52.55 51.30 1sos s ASP 52 Cb 0.17 -1.84 0.54 0.00 -1.46 0.00 0.00 42.92 40.34 1sos s ASP 52 CO -0.09 -0.37 1.46 -3.20 0.52 0.00 0.00 175.17 173.49 1sos n ASN 53 N 4.75 3.92 0.23 -0.34 4.05 -1.26 -3.38 115.26 123.23 1sos n ASN 53 Ca -0.11 -2.36 0.18 0.00 0.45 0.00 0.00 54.58 52.74 1sos n ASN 53 Cb 0.44 -0.45 0.86 0.00 1.23 0.00 0.00 39.78 41.86 1sos n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1sos h THR 54 N 3.00 0.31 -0.95 -0.44 1.35 -1.93 -2.29 112.91 111.97 1sos h THR 54 Ca 0.00 0.00 -0.41 0.00 -0.55 0.00 0.00 66.41 65.45 1sos h THR 54 Cb 1.17 0.80 -0.41 0.00 -1.73 0.00 0.00 68.15 67.98 1sos h THR 54 CO 0.13 0.00 -1.02 0.00 -0.25 0.00 0.00 175.52 174.38 1sos n ALA 55 N -2.22 3.80 -0.86 6.62 0.00 -1.26 -5.05 120.51 121.54 1sos n ALA 55 Ca 0.01 -3.40 0.00 0.00 0.00 0.00 0.00 53.44 50.06 1sos n ALA 55 Cb 0.35 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1sos n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sos n GLY 56 N -0.37 1.19 0.23 0.00 0.00 -0.86 -2.38 105.19 103.00 1sos n GLY 56 Ca 0.20 -0.63 0.16 0.00 0.00 0.00 0.00 46.02 45.75 1sos n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sos h THR 58 N 0.00 1.24 0.00 0.00 2.02 -1.80 -2.72 112.91 111.65 1sos h THR 58 Ca 0.00 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.43 1sos h THR 58 Cb 0.23 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1sos h THR 58 CO 0.00 0.30 0.00 -1.54 0.37 0.00 0.00 175.52 174.65 1sos n SER 59 N -4.38 0.00 0.22 4.18 3.41 -1.23 -3.36 113.62 112.46 1sos n SER 59 Ca 0.05 -0.58 0.09 0.00 -0.26 0.00 0.00 58.87 58.17 1sos n SER 59 Cb 0.17 -0.04 0.52 0.00 -0.26 0.00 0.00 64.21 64.60 1sos n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sos h ALA 60 N 3.27 1.19 -0.17 7.33 0.00 -1.49 -3.39 119.26 126.00 1sos h ALA 60 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1sos h ALA 60 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1sos h ALA 60 CO 0.00 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1sos n GLY 61 N -0.28 -1.75 3.61 0.00 0.00 -1.21 -1.04 105.19 104.52 1sos n GLY 61 Ca -0.01 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 1sos n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sos s PRO 62 N 0.00 -0.82 0.29 1.61 0.04 -1.26 -4.50 135.00 130.36 1sos s PRO 62 Ca 0.00 0.07 -0.29 0.00 0.04 0.00 0.00 61.00 60.82 1sos s PRO 62 Cb 0.00 -1.63 -0.10 0.00 0.04 0.00 0.00 34.50 32.81 1sos s PRO 62 CO 0.00 -3.48 1.36 -1.01 0.04 0.00 0.00 177.00 173.92 1sos s HIS 63 N -3.00 3.03 -0.23 0.56 3.76 -1.26 -1.37 115.29 116.78 1sos s HIS 63 Ca 0.70 1.24 -0.34 0.00 -0.15 0.00 0.00 55.06 56.51 1sos s HIS 63 Cb -0.12 -3.74 -0.10 0.00 1.11 0.00 0.00 32.58 29.72 1sos s HIS 63 CO 0.56 -2.21 2.07 0.34 -0.85 0.00 0.00 174.74 174.65 1sos n PHE 64 N 1.50 1.95 -3.20 1.40 7.35 -0.68 -4.65 117.46 121.13 1sos n PHE 64 Ca 0.03 0.11 -0.23 0.00 -0.76 0.00 0.00 57.45 56.60 1sos n PHE 64 Cb 0.41 -2.62 -0.06 0.00 0.35 0.00 0.00 39.48 37.57 1sos n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1sos n ASN 65 N 8.96 1.32 -0.31 -2.13 5.15 -1.26 -1.32 115.26 125.67 1sos n ASN 65 Ca 0.32 -3.00 0.14 0.00 -0.60 0.00 0.00 54.58 51.44 1sos n ASN 65 Cb 0.29 -0.63 0.32 0.00 -0.53 0.00 0.00 39.78 39.24 1sos n ASN 65 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1sos h PRO 66 N 3.60 0.43 -0.71 1.20 0.11 -1.92 -2.78 132.00 131.93 1sos h PRO 66 Ca 0.10 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1sos h PRO 66 Cb 0.84 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1sos h PRO 66 CO 0.56 0.29 0.00 1.28 -0.21 0.00 0.00 178.00 179.92 1sos n LEU 67 N -5.00 3.83 -3.81 2.35 4.77 -1.26 -4.96 117.00 112.91 1sos n LEU 67 Ca 0.23 -1.91 -0.26 0.00 -0.03 0.00 0.00 56.01 54.04 1sos n LEU 67 Cb 0.67 -0.47 0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1sos n LEU 67 CO 0.14 0.95 0.05 -1.20 -1.33 0.00 0.00 177.39 176.00 1sos n SER 68 N 1.60 -3.52 -4.86 -1.43 7.64 -1.05 -4.99 113.62 107.01 1sos n SER 68 Ca 0.24 -0.78 -0.22 0.00 1.01 0.00 0.00 58.87 59.12 1sos n SER 68 Cb 0.61 -4.03 0.07 0.00 -1.01 0.00 0.00 64.21 59.85 1sos n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1sos s ARG 69 N -6.36 2.15 0.59 1.43 1.81 -1.26 -5.10 118.95 112.22 1sos s ARG 69 Ca 0.41 -1.10 0.03 0.00 -1.72 0.00 0.00 55.73 53.35 1sos s ARG 69 Cb -0.20 -2.47 0.07 0.00 -0.45 0.00 0.00 34.95 31.90 1sos s ARG 69 CO 0.82 -1.02 0.82 0.15 -0.68 0.00 0.00 175.30 175.39 1sos s LYS 70 N -4.88 2.26 0.26 3.54 3.01 -1.26 -4.70 119.74 117.97 1sos s LYS 70 Ca 0.62 -1.08 -0.30 0.00 -1.01 0.00 0.00 55.97 54.20 1sos s LYS 70 Cb -0.07 -2.50 -0.09 0.00 -1.01 0.00 0.00 37.83 34.16 1sos s LYS 70 CO 0.41 -0.92 1.16 -1.58 0.51 0.00 0.00 175.35 174.92 1sos s HIS 71 N -2.82 3.46 0.37 3.18 5.65 -0.70 -3.18 115.29 121.25 1sos s HIS 71 Ca 0.61 1.58 -0.04 0.00 0.25 0.00 0.00 55.06 57.46 1sos s HIS 71 Cb -0.08 -3.38 0.02 0.00 -1.18 0.00 0.00 32.58 27.95 1sos s HIS 71 CO 0.40 -0.92 0.55 0.41 -0.65 0.00 0.00 174.74 174.52 1sos n GLY 72 N 1.44 1.91 3.73 1.59 0.00 -1.24 -4.39 105.19 108.23 1sos n GLY 72 Ca 0.01 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 1sos n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sos s GLY 73 N -3.22 1.63 0.59 -0.02 0.00 -1.00 -4.72 107.32 100.59 1sos s GLY 73 Ca 0.28 0.02 0.33 0.00 0.00 0.00 0.00 44.72 45.34 1sos s GLY 73 CO 0.20 0.47 2.23 -0.56 0.00 0.00 0.00 173.10 175.45 1sos h PRO 74 N -1.45 0.00 -0.00 2.90 0.13 -1.87 -1.81 132.00 129.89 1sos h PRO 74 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1sos h PRO 74 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1sos h PRO 74 CO 0.54 0.03 -0.35 1.63 -0.23 0.00 0.00 178.00 179.61 1sos n LYS 75 N -3.60 0.17 -2.34 0.86 5.02 -1.26 -4.96 118.16 112.05 1sos n LYS 75 Ca -0.03 -0.09 -0.32 0.00 -2.02 0.00 0.00 58.31 55.86 1sos n LYS 75 Cb 0.12 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.61 1sos n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sos s ASP 76 N -2.89 6.52 0.07 4.39 1.01 -0.68 -4.96 116.67 120.13 1sos s ASP 76 Ca 0.15 1.47 -0.06 0.00 0.71 0.00 0.00 52.55 54.82 1sos s ASP 76 Cb 0.18 -2.47 -0.28 0.00 1.01 0.00 0.00 42.92 41.36 1sos s ASP 76 CO 0.63 -0.63 1.14 -0.08 0.21 0.00 0.00 175.17 176.44 1sos h GLU 77 N 0.67 0.31 -4.87 8.23 4.22 -1.93 -3.37 114.58 117.84 1sos h GLU 77 Ca -0.46 -0.51 -0.70 0.00 0.08 0.00 0.00 59.36 57.77 1sos h GLU 77 Cb 1.19 0.19 -0.19 0.00 0.50 0.00 0.00 28.75 30.44 1sos h GLU 77 CO 0.62 1.24 0.65 -2.00 -2.18 0.00 0.00 179.01 177.34 1sos s GLU 78 N -2.70 3.51 0.28 1.92 2.56 -1.26 -4.90 118.70 118.12 1sos s GLU 78 Ca -0.05 -1.74 -0.03 0.00 0.00 0.00 0.00 54.97 53.15 1sos s GLU 78 Cb 0.07 -4.74 -0.02 0.00 2.00 0.00 0.00 34.13 31.44 1sos s GLU 78 CO 0.89 -1.69 0.35 -0.98 -0.56 0.00 0.00 175.26 173.26 1sos s ARG 79 N 2.46 1.60 0.21 4.30 1.04 -1.19 -3.63 118.95 123.74 1sos s ARG 79 Ca 0.28 -1.65 -0.03 0.00 -1.04 0.00 0.00 55.73 53.30 1sos s ARG 79 Cb -0.08 0.38 -0.05 0.00 -2.04 0.00 0.00 34.95 33.16 1sos s ARG 79 CO -0.06 -0.62 0.43 -1.01 -0.04 0.00 0.00 175.30 173.99 1sos s HIS 80 N -3.65 3.48 0.35 5.89 3.76 -1.21 -4.52 115.29 119.39 1sos s HIS 80 Ca 0.33 0.47 0.03 0.00 -0.15 0.00 0.00 55.06 55.73 1sos s HIS 80 Cb 0.02 -1.95 0.64 0.00 1.11 0.00 0.00 32.58 32.40 1sos s HIS 80 CO 0.16 0.34 2.00 0.28 -0.85 0.00 0.00 174.74 176.67 1sos h VAL 81 N 1.61 1.14 0.00 -0.90 2.07 -1.82 -1.80 116.25 116.55 1sos h VAL 81 Ca -0.47 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1sos h VAL 81 Cb 1.18 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1sos h VAL 81 CO 0.69 0.16 0.00 0.61 0.02 0.00 0.00 177.57 179.04 1sos n GLY 82 N -1.44 -0.62 3.42 2.17 0.00 -0.43 -4.44 105.19 103.84 1sos n GLY 82 Ca 0.07 -0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 1sos n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sos s ASP 83 N -1.53 6.45 -0.11 1.61 1.01 -0.68 -1.20 116.67 122.22 1sos s ASP 83 Ca 0.07 -1.77 0.15 0.00 0.71 0.00 0.00 52.55 51.72 1sos s ASP 83 Cb 0.03 -2.36 0.63 0.00 1.01 0.00 0.00 42.92 42.23 1sos s ASP 83 CO 0.06 -1.09 1.51 0.18 0.21 0.00 0.00 175.17 176.03 1sos n LEU 84 N 6.41 4.24 0.00 1.23 4.77 -0.98 -3.98 117.00 128.70 1sos n LEU 84 Ca 0.09 -2.14 0.00 0.00 -0.03 0.00 0.00 56.01 53.93 1sos n LEU 84 Cb 0.46 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1sos n LEU 84 CO 0.53 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 1sos n GLY 85 N 0.96 1.64 3.24 -0.72 0.00 -1.22 -4.80 105.19 104.29 1sos n GLY 85 Ca 0.22 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 1sos n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sos s ASN 86 N -4.00 2.44 0.34 1.61 0.01 -1.26 -0.82 114.94 113.26 1sos s ASN 86 Ca 0.00 -0.50 0.07 0.00 -0.71 0.00 0.00 52.86 51.73 1sos s ASN 86 Cb 0.00 -0.21 -0.02 0.00 0.41 0.00 0.00 41.25 41.43 1sos s ASN 86 CO 0.00 0.17 0.35 0.68 -1.51 0.00 0.00 177.10 176.79 1sos s VAL 87 N -0.75 3.57 -0.13 1.60 -7.23 -0.43 -4.91 120.40 112.13 1sos s VAL 87 Ca 0.07 -1.27 0.01 0.00 -1.81 0.00 0.00 61.98 58.98 1sos s VAL 87 Cb -0.09 -3.22 0.02 0.00 0.56 0.00 0.00 36.38 33.66 1sos s VAL 87 CO 0.01 -0.15 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.62 1sos s THR 88 N -2.29 1.50 -0.12 5.32 2.01 -1.26 -1.76 115.64 119.04 1sos s THR 88 Ca 0.43 -0.62 -0.16 0.00 0.31 0.00 0.00 61.69 61.65 1sos s THR 88 Cb -0.07 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 1sos s THR 88 CO 0.28 0.44 0.40 0.00 -0.69 0.00 0.00 174.62 175.06 1sos s ALA 89 N 1.24 3.54 0.98 7.40 0.00 -0.18 -4.12 121.76 130.63 1sos s ALA 89 Ca -0.01 -0.29 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 1sos s ALA 89 Cb -0.14 -2.52 0.15 0.00 0.00 0.00 0.00 23.12 20.61 1sos s ALA 89 CO -0.06 0.09 0.92 -0.40 0.00 0.00 0.00 175.76 176.31 1sos n ASP 90 N 3.40 0.11 -0.33 0.00 5.68 -0.31 -0.70 116.55 124.41 1sos n ASP 90 Ca -0.10 -1.36 0.09 0.00 -0.50 0.00 0.00 54.79 52.92 1sos n ASP 90 Cb 0.52 -0.70 0.19 0.00 -1.14 0.00 0.00 41.12 39.99 1sos n ASP 90 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1sos h LYS 91 N 0.00 0.02 0.00 0.11 1.57 -1.97 0.33 116.57 116.63 1sos h LYS 91 Ca -0.30 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1sos h LYS 91 Cb 0.83 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1sos h LYS 91 CO 0.21 0.01 0.00 -0.25 -0.57 0.00 0.00 179.45 178.86 1sos n ASP 92 N -5.52 0.00 -1.46 0.86 8.00 -1.26 -4.86 116.55 112.31 1sos n ASP 92 Ca 0.18 -0.43 -0.12 0.00 0.71 0.00 0.00 54.79 55.12 1sos n ASP 92 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1sos n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sos n GLY 93 N -0.31 -0.08 3.30 0.44 0.00 0.12 -4.73 105.19 103.92 1sos n GLY 93 Ca 0.04 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1sos n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sos s VAL 94 N -2.67 2.53 -0.27 1.61 1.01 -1.24 -1.73 120.40 119.64 1sos s VAL 94 Ca 0.05 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 1sos s VAL 94 Cb -0.02 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1sos s VAL 94 CO 0.06 0.55 0.05 0.00 0.00 0.00 0.00 175.10 175.75 1sos s ALA 95 N 0.26 3.01 -0.57 5.51 0.00 0.18 -1.16 121.76 128.98 1sos s ALA 95 Ca -0.13 -1.36 -0.20 0.00 0.00 0.00 0.00 51.96 50.27 1sos s ALA 95 Cb -0.16 -2.03 0.08 0.00 0.00 0.00 0.00 23.12 21.00 1sos s ALA 95 CO 0.07 -0.77 0.73 -0.51 0.00 0.00 0.00 175.76 175.28 1sos s ASP 96 N 1.50 6.21 0.34 0.00 1.01 -1.26 -2.01 116.67 122.45 1sos s ASP 96 Ca 0.03 -1.09 -0.26 0.00 0.71 0.00 0.00 52.55 51.94 1sos s ASP 96 Cb -0.16 -2.32 -0.09 0.00 1.01 0.00 0.00 42.92 41.35 1sos s ASP 96 CO 0.01 -1.09 1.02 -0.69 0.21 0.00 0.00 175.17 174.63 1sos s VAL 97 N 2.97 3.86 -0.27 -1.27 1.01 -0.39 -4.89 120.40 121.42 1sos s VAL 97 Ca 0.16 1.58 -0.05 0.00 0.00 0.00 0.00 61.98 63.67 1sos s VAL 97 Cb -0.20 -3.90 0.14 0.00 0.00 0.00 0.00 36.38 32.42 1sos s VAL 97 CO 0.10 0.16 0.54 -0.55 0.00 0.00 0.00 175.10 175.35 1sos s SER 98 N -1.42 -0.83 0.01 3.32 0.15 -1.25 -2.13 113.70 111.56 1sos s SER 98 Ca 0.51 1.00 -0.08 0.00 0.70 0.00 0.00 55.95 58.08 1sos s SER 98 Cb -0.23 1.88 0.00 0.00 -1.71 0.00 0.00 66.02 65.96 1sos s SER 98 CO 0.29 -0.25 0.15 -0.63 1.20 0.00 0.00 173.24 174.00 1sos s ILE 99 N 2.77 0.09 -0.02 6.45 1.01 0.08 -4.99 121.20 126.60 1sos s ILE 99 Ca 0.07 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.99 1sos s ILE 99 Cb -0.14 -0.55 0.01 0.00 0.01 0.00 0.00 42.46 41.79 1sos s ILE 99 CO -0.18 -0.41 -0.06 -0.70 0.00 0.00 0.00 174.94 173.58 1sos s GLU 100 N -1.66 0.73 -0.15 2.79 2.12 -1.26 -0.20 118.70 121.07 1sos s GLU 100 Ca -0.13 -0.20 -0.10 0.00 0.36 0.00 0.00 54.97 54.90 1sos s GLU 100 Cb -0.06 -0.71 0.05 0.00 0.26 0.00 0.00 34.13 33.66 1sos s GLU 100 CO 0.00 0.06 0.37 0.34 -0.54 0.00 0.00 175.26 175.50 1sos s ASP 101 N 0.31 -0.43 -0.12 -1.70 2.15 -0.96 -4.98 116.67 110.93 1sos s ASP 101 Ca -0.04 0.79 0.15 0.00 0.43 0.00 0.00 52.55 53.88 1sos s ASP 101 Cb -0.08 0.72 0.46 0.00 -0.30 0.00 0.00 42.92 43.72 1sos s ASP 101 CO 0.00 -0.17 1.38 -1.54 -0.17 0.00 0.00 175.17 174.67 1sos n SER 102 N 3.72 3.62 -0.07 -0.34 3.41 -1.26 -1.41 113.62 121.29 1sos n SER 102 Ca -0.20 -2.66 -0.18 0.00 -0.26 0.00 0.00 58.87 55.57 1sos n SER 102 Cb 0.56 -0.44 -0.13 0.00 -0.26 0.00 0.00 64.21 63.93 1sos n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1sos n VAL 103 N -0.11 1.60 -1.67 -3.33 0.31 -1.26 -4.89 118.33 108.98 1sos n VAL 103 Ca 0.18 -0.63 -0.29 0.00 -0.01 0.00 0.00 64.34 63.59 1sos n VAL 103 Cb 0.74 -1.46 0.11 0.00 -0.91 0.00 0.00 33.84 32.33 1sos n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1sos s ILE 104 N -2.54 2.20 0.09 2.52 -4.36 -1.26 -4.89 121.20 112.96 1sos s ILE 104 Ca -0.27 0.07 -0.26 0.00 -0.26 0.00 0.00 60.65 59.92 1sos s ILE 104 Cb 0.08 -2.90 0.08 0.00 1.25 0.00 0.00 42.46 40.96 1sos s ILE 104 CO 0.69 -0.09 0.82 -0.55 0.24 0.00 0.00 174.94 176.05 1sos s SER 105 N -4.20 -0.36 0.00 4.36 0.15 -0.77 -4.63 113.70 108.25 1sos s SER 105 Ca 0.63 -0.14 0.23 0.00 0.70 0.00 0.00 55.95 57.37 1sos s SER 105 Cb -0.13 0.49 0.53 0.00 -1.71 0.00 0.00 66.02 65.19 1sos s SER 105 CO 0.52 -0.82 1.47 0.18 1.20 0.00 0.00 173.24 175.78 1sos n LEU 106 N -0.34 3.65 -3.83 3.45 4.77 -1.26 -1.22 117.00 122.21 1sos n LEU 106 Ca -0.10 -1.69 -0.12 0.00 -0.03 0.00 0.00 56.01 54.07 1sos n LEU 106 Cb 0.62 -0.36 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 1sos n LEU 106 CO 0.12 0.85 -0.12 -0.44 -1.33 0.00 0.00 177.39 176.47 1sos s SER 107 N -1.27 -0.09 0.00 -1.43 0.01 -1.26 -2.80 113.70 106.86 1sos s SER 107 Ca 0.43 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.71 1sos s SER 107 Cb 0.24 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.76 1sos s SER 107 CO 0.32 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.27 1sos n GLY 108 N 1.79 -0.43 0.25 3.44 0.00 -1.26 -4.08 105.19 104.90 1sos n GLY 108 Ca -0.20 -1.20 0.08 0.00 0.00 0.00 0.00 46.02 44.71 1sos n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sos h ASP 109 N 6.93 0.00 -0.75 1.61 3.32 -2.00 -2.69 116.42 122.84 1sos h ASP 109 Ca 0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 1sos h ASP 109 Cb 0.00 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 39.32 1sos h ASP 109 CO 0.00 0.09 0.37 1.41 -1.72 0.00 0.00 179.24 179.39 1sos n HIS 110 N -4.24 2.32 -2.77 4.55 8.25 -1.26 -4.94 115.22 117.13 1sos n HIS 110 Ca -0.03 -1.80 -0.37 0.00 -0.26 0.00 0.00 57.72 55.26 1sos n HIS 110 Cb 0.17 -0.79 -0.06 0.00 1.12 0.00 0.00 29.99 30.43 1sos n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1sos s SER 111 N -1.82 7.36 0.00 0.41 0.15 -1.02 -1.84 113.70 116.95 1sos s SER 111 Ca 0.53 1.86 0.14 0.00 0.70 0.00 0.00 55.95 59.18 1sos s SER 111 Cb 0.45 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 62.19 1sos s SER 111 CO 0.06 -0.05 0.81 2.30 1.20 0.00 0.00 173.24 177.55 1sos n ILE 112 N 0.67 0.00 -1.84 6.45 -5.35 -0.36 -4.90 119.36 114.03 1sos n ILE 112 Ca 0.01 -0.36 -0.42 0.00 -0.27 0.00 0.00 62.75 61.71 1sos n ILE 112 Cb 0.50 1.18 -0.03 0.00 -1.74 0.00 0.00 39.64 39.55 1sos n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1sos s ILE 113 N -1.70 3.13 0.00 7.28 1.01 -1.26 -2.16 121.20 127.51 1sos s ILE 113 Ca 0.12 0.34 0.00 0.00 0.00 0.00 0.00 60.65 61.11 1sos s ILE 113 Cb 0.12 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.37 1sos s ILE 113 CO 0.35 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.88 1sos n GLY 114 N 4.26 0.72 3.83 6.18 0.00 0.76 -4.98 105.19 115.95 1sos n GLY 114 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1sos n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sos s ARG 115 N -0.78 2.33 -0.17 1.61 0.52 -0.92 -1.66 118.95 119.89 1sos s ARG 115 Ca 0.00 -1.82 -0.08 0.00 -0.52 0.00 0.00 55.73 53.31 1sos s ARG 115 Cb 0.00 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 1sos s ARG 115 CO 0.00 -0.31 0.10 0.99 0.02 0.00 0.00 175.30 176.11 1sos s THR 116 N -2.62 5.16 -0.10 0.02 2.01 -0.75 -0.96 115.64 118.39 1sos s THR 116 Ca 0.40 0.09 -0.18 0.00 0.31 0.00 0.00 61.69 62.31 1sos s THR 116 Cb -0.00 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1sos s THR 116 CO 0.23 0.50 0.48 -0.22 -0.69 0.00 0.00 174.62 174.92 1sos s LEU 117 N -0.02 4.30 -0.06 4.42 2.96 -0.38 -0.28 118.68 129.62 1sos s LEU 117 Ca 0.08 0.85 0.03 0.00 -0.22 0.00 0.00 54.13 54.88 1sos s LEU 117 Cb -0.12 -2.70 0.00 0.00 0.50 0.00 0.00 46.19 43.87 1sos s LEU 117 CO 0.00 0.03 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.22 1sos s VAL 118 N 0.43 1.33 -0.17 1.68 1.01 0.70 -2.57 120.40 122.81 1sos s VAL 118 Ca 0.26 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 1sos s VAL 118 Cb -0.15 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1sos s VAL 118 CO 0.11 0.39 -0.01 0.54 0.00 0.00 0.00 175.10 176.13 1sos s VAL 119 N 0.34 4.04 0.33 2.92 0.11 -0.54 -1.12 120.40 126.47 1sos s VAL 119 Ca -0.10 -0.30 0.04 0.00 -2.93 0.00 0.00 61.98 58.69 1sos s VAL 119 Cb -0.14 -2.79 -0.02 0.00 -1.53 0.00 0.00 36.38 31.91 1sos s VAL 119 CO 0.03 0.47 0.49 -1.00 -3.33 0.00 0.00 175.10 171.77 1sos s HIS 120 N 0.51 3.29 0.16 1.54 3.76 -0.02 -0.87 115.29 123.65 1sos s HIS 120 Ca -0.02 0.01 -0.15 0.00 -0.15 0.00 0.00 55.06 54.75 1sos s HIS 120 Cb -0.14 -1.93 0.03 0.00 1.11 0.00 0.00 32.58 31.66 1sos s HIS 120 CO 0.02 0.06 1.81 1.49 -0.85 0.00 0.00 174.74 177.28 1sos h GLU 121 N 0.85 0.60 -5.62 1.40 4.81 -0.46 -3.35 114.58 112.80 1sos h GLU 121 Ca -0.48 -0.04 -0.63 0.00 -0.13 0.00 0.00 59.36 58.08 1sos h GLU 121 Cb 1.24 -0.13 -0.08 0.00 0.63 0.00 0.00 28.75 30.41 1sos h GLU 121 CO 0.57 0.41 -0.37 0.15 -0.73 0.00 0.00 179.01 179.04 1sos s LYS 122 N -6.11 2.23 0.19 1.92 1.02 0.03 -4.87 119.74 114.16 1sos s LYS 122 Ca -0.13 -2.20 -0.30 0.00 0.02 0.00 0.00 55.97 53.36 1sos s LYS 122 Cb 0.11 -1.87 -0.08 0.00 -0.52 0.00 0.00 37.83 35.48 1sos s LYS 122 CO 0.73 -0.56 0.96 0.00 -0.92 0.00 0.00 175.35 175.56 1sos s ALA 123 N -2.84 3.31 -0.03 5.17 0.00 -1.22 -0.99 121.76 125.16 1sos s ALA 123 Ca 0.21 0.62 -0.30 0.00 0.00 0.00 0.00 51.96 52.49 1sos s ALA 123 Cb -0.01 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 1sos s ALA 123 CO 0.13 0.08 1.36 0.34 0.00 0.00 0.00 175.76 177.68 1sos s ASP 124 N -0.65 6.89 -0.19 0.00 -1.08 -1.26 -4.30 116.67 116.08 1sos s ASP 124 Ca 0.44 2.03 0.01 0.00 -0.52 0.00 0.00 52.55 54.51 1sos s ASP 124 Cb -0.25 -2.56 0.24 0.00 -1.46 0.00 0.00 42.92 38.89 1sos s ASP 124 CO 0.32 -0.70 1.48 -0.90 0.52 0.00 0.00 175.17 175.88 1sos n ASP 125 N 5.51 3.86 -0.91 -0.34 5.68 -0.11 -4.90 116.55 125.35 1sos n ASP 125 Ca 0.13 -2.67 0.00 0.00 -0.50 0.00 0.00 54.79 51.75 1sos n ASP 125 Cb 0.44 -0.72 0.00 0.00 -1.14 0.00 0.00 41.12 39.71 1sos n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sos n LEU 126 N 0.02 0.00 0.00 -2.12 4.77 -1.26 -0.89 117.00 117.52 1sos n LEU 126 Ca 0.23 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1sos n LEU 126 Cb 0.87 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1sos n LEU 126 CO 0.24 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1sos n GLY 127 N -0.00 0.98 0.87 -0.72 0.00 -1.26 -2.37 105.19 102.69 1sos n GLY 127 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1sos n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sos n LYS 128 N -2.05 2.24 0.00 1.61 5.02 -0.07 -4.60 118.16 120.32 1sos n LYS 128 Ca 0.00 -2.95 0.13 0.00 -2.02 0.00 0.00 58.31 53.47 1sos n LYS 128 Cb 0.00 -1.78 0.33 0.00 -0.02 0.00 0.00 35.03 33.56 1sos n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sos n GLY 129 N -0.90 -0.23 2.15 0.72 0.00 -1.26 -4.95 105.19 100.72 1sos n GLY 129 Ca 0.25 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 1sos n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sos n GLY 130 N 1.31 0.47 3.36 -0.02 0.00 -1.26 -4.98 105.19 104.07 1sos n GLY 130 Ca 0.13 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 1sos n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sos s ASN 131 N -2.21 1.77 0.16 1.61 2.20 -1.26 -5.05 114.94 112.16 1sos s ASN 131 Ca 0.00 -1.33 -0.12 0.00 -0.94 0.00 0.00 52.86 50.46 1sos s ASN 131 Cb 0.00 0.04 0.05 0.00 -2.00 0.00 0.00 41.25 39.34 1sos s ASN 131 CO 0.00 -0.63 1.69 -0.08 -2.94 0.00 0.00 177.10 175.15 1sos h GLU 132 N 2.32 0.85 -0.78 3.55 4.81 -1.99 -2.65 114.58 120.69 1sos h GLU 132 Ca -0.39 -0.18 0.17 0.00 -0.13 0.00 0.00 59.36 58.83 1sos h GLU 132 Cb 1.24 -0.12 -0.11 0.00 0.63 0.00 0.00 28.75 30.39 1sos h GLU 132 CO 0.65 0.77 0.27 1.49 -0.73 0.00 0.00 179.01 181.47 1sos h GLU 133 N 0.77 0.36 0.10 1.92 4.57 -1.99 -1.86 114.58 118.44 1sos h GLU 133 Ca 0.18 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.36 1sos h GLU 133 Cb 0.27 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.74 1sos h GLU 133 CO -0.01 0.24 -0.37 1.03 -1.18 0.00 0.00 179.01 178.72 1sos h SER 134 N 0.37 -1.10 0.00 1.04 0.87 -1.80 0.21 113.55 113.14 1sos h SER 134 Ca 0.45 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.14 1sos h SER 134 Cb 0.76 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1sos h SER 134 CO -0.48 -0.45 0.00 0.35 -0.53 0.00 0.00 176.83 175.73 1sos n THR 135 N -5.44 0.00 -0.07 2.23 -2.24 -0.77 -1.23 114.28 106.76 1sos n THR 135 Ca -0.07 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.59 1sos n THR 135 Cb 0.36 -0.42 -0.04 0.00 -2.10 0.00 0.00 70.33 68.13 1sos n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sos n LYS 136 N -0.73 0.37 0.00 -0.78 5.02 0.41 -1.72 118.16 120.72 1sos n LYS 136 Ca 0.07 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1sos n LYS 136 Cb 0.03 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1sos n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1sos n THR 137 N -4.00 0.00 -0.99 -0.18 -2.24 0.46 -4.64 114.28 102.69 1sos n THR 137 Ca -0.22 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 1sos n THR 137 Cb 0.54 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 1sos n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sos n GLY 138 N 0.05 0.73 3.19 3.38 0.00 -0.37 -3.24 105.19 108.94 1sos n GLY 138 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1sos n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sos n ASN 139 N -0.02 -5.83 0.00 1.61 3.02 -1.26 -0.93 115.26 111.85 1sos n ASN 139 Ca 0.00 -0.36 0.10 0.00 -0.03 0.00 0.00 54.58 54.29 1sos n ASN 139 Cb 0.01 -4.70 0.53 0.00 -0.61 0.00 0.00 39.78 35.02 1sos n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sos n ALA 140 N -3.84 2.11 -0.17 5.41 0.00 -1.20 -4.70 120.51 118.12 1sos n ALA 140 Ca -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1sos n ALA 140 Cb 0.60 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1sos n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sos n GLY 141 N 0.41 -1.12 3.68 0.00 0.00 -1.26 -0.78 105.19 106.11 1sos n GLY 141 Ca 0.11 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 1sos n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sos s SER 142 N -4.00 3.01 -0.41 1.61 1.04 -1.26 -4.56 113.70 109.13 1sos s SER 142 Ca 0.00 1.51 -0.18 0.00 0.48 0.00 0.00 55.95 57.76 1sos s SER 142 Cb 0.00 -2.18 0.02 0.00 0.10 0.00 0.00 66.02 63.96 1sos s SER 142 CO 0.00 -2.93 0.50 -0.13 0.98 0.00 0.00 173.24 171.66 1sos s ARG 143 N -4.86 3.25 0.08 4.02 0.52 -1.26 -0.17 118.95 120.53 1sos s ARG 143 Ca 0.65 -0.54 -0.05 0.00 -0.52 0.00 0.00 55.73 55.26 1sos s ARG 143 Cb -0.19 -3.93 -0.26 0.00 0.52 0.00 0.00 34.95 31.09 1sos s ARG 143 CO 0.58 -0.84 1.16 -0.07 0.02 0.00 0.00 175.30 176.14 1sos h LEU 144 N 9.21 0.47 -7.07 2.53 3.38 -1.30 -3.47 115.31 119.06 1sos h LEU 144 Ca -0.27 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.17 1sos h LEU 144 Cb 1.11 -0.15 -0.22 0.00 0.09 0.00 0.00 40.66 41.49 1sos h LEU 144 CO 0.81 1.36 0.05 0.00 0.09 0.00 0.00 178.44 180.75 1sos s ALA 145 N -2.74 -1.61 0.28 1.53 0.00 -1.16 -4.24 121.76 113.82 1sos s ALA 145 Ca -0.05 1.81 0.03 0.00 0.00 0.00 0.00 51.96 53.75 1sos s ALA 145 Cb 0.07 -1.03 -0.06 0.00 0.00 0.00 0.00 23.12 22.11 1sos s ALA 145 CO 0.89 -0.31 0.07 0.00 0.00 0.00 0.00 175.76 176.41 1sos s GLY 147 N -3.39 -0.18 0.16 0.00 0.00 -1.06 -0.87 107.32 101.98 1sos s GLY 147 Ca 0.36 2.72 -0.30 0.00 0.00 0.00 0.00 44.72 47.51 1sos s GLY 147 CO 0.14 2.06 1.22 0.14 0.00 0.00 0.00 173.10 176.66 1sos s VAL 148 N 0.62 3.60 -0.55 1.40 1.01 -1.26 -1.25 120.40 123.96 1sos s VAL 148 Ca -0.01 1.29 -0.28 0.00 0.00 0.00 0.00 61.98 62.98 1sos s VAL 148 Cb -0.05 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.54 1sos s VAL 148 CO -0.09 0.18 1.23 -0.63 0.00 0.00 0.00 175.10 175.79 1sos s ILE 149 N 0.22 4.00 0.41 2.22 1.01 -0.14 -4.45 121.20 124.48 1sos s ILE 149 Ca 0.55 0.92 0.08 0.00 0.00 0.00 0.00 60.65 62.20 1sos s ILE 149 Cb -0.33 -4.64 -0.02 0.00 0.01 0.00 0.00 42.46 37.49 1sos s ILE 149 CO 0.35 -1.23 0.39 -0.83 0.00 0.00 0.00 174.94 173.62 1sos s GLY 150 N 3.16 2.12 0.09 6.18 0.00 -0.49 -0.17 107.32 118.21 1sos s GLY 150 Ca 0.46 -1.87 -0.30 0.00 0.00 0.00 0.00 44.72 43.01 1sos s GLY 150 CO 0.27 -1.68 1.01 -0.42 0.00 0.00 0.00 173.10 172.28 1sos s ILE 151 N -2.46 4.44 0.24 0.90 1.01 -1.26 -0.84 121.20 123.23 1sos s ILE 151 Ca 0.48 1.93 0.10 0.00 0.00 0.00 0.00 60.65 63.16 1sos s ILE 151 Cb -0.04 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 1sos s ILE 151 CO 0.28 0.25 -0.07 0.00 0.00 0.00 0.00 174.94 175.40 1sos s ALA 152 N 0.33 3.00 -3.00 9.38 0.00 -0.40 -4.79 121.76 126.28 1sos s ALA 152 Ca 0.50 -1.65 0.24 0.00 0.00 0.00 0.00 51.96 51.05 1sos s ALA 152 Cb -0.24 -0.65 0.19 0.00 0.00 0.00 0.00 23.12 22.42 1sos s ALA 152 CO 0.30 0.33 1.26 0.00 0.00 0.00 0.00 175.76 177.65