#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nae n GLY 21 N 0.00 0.83 3.44 -0.02 0.00 -1.26 -5.09 105.19 103.09 1nae n GLY 21 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 46.02 45.68 1nae n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nae s THR 22 N -2.87 -0.64 0.26 2.61 2.01 -1.26 -5.01 115.64 110.73 1nae s THR 22 Ca 0.00 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 1nae s THR 22 Cb 0.00 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.42 1nae s THR 22 CO 0.00 0.00 1.16 -0.13 -0.69 0.00 0.00 174.62 174.96 1nae s ARG 23 N 2.60 4.55 0.23 4.92 0.52 -1.21 -4.83 118.95 125.74 1nae s ARG 23 Ca -0.02 1.88 -0.30 0.00 -0.52 0.00 0.00 55.73 56.77 1nae s ARG 23 Cb -0.08 -3.19 -0.09 0.00 0.52 0.00 0.00 34.95 32.11 1nae s ARG 23 CO -0.18 0.06 1.11 0.45 0.02 0.00 0.00 175.30 176.76 1nae s SER 24 N -0.50 7.26 0.62 0.23 0.15 -1.26 0.27 113.70 120.47 1nae s SER 24 Ca 0.48 2.19 0.40 0.00 0.70 0.00 0.00 55.95 59.72 1nae s SER 24 Cb -0.33 -2.62 2.03 0.00 -1.71 0.00 0.00 66.02 63.39 1nae s SER 24 CO 0.41 -0.19 2.23 0.00 1.20 0.00 0.00 173.24 176.90 1nae h ALA 25 N 4.48 1.02 -0.02 5.45 0.00 -1.50 -3.25 119.26 125.44 1nae h ALA 25 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1nae h ALA 25 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1nae h ALA 25 CO 0.70 0.01 -0.21 1.19 0.00 0.00 0.00 179.25 180.94 1nae n PHE 26 N -3.11 0.00 -4.18 0.00 3.72 -1.26 -0.56 117.46 112.06 1nae n PHE 26 Ca -0.02 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.14 1nae n PHE 26 Cb 0.16 -0.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.60 1nae n PHE 26 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1nae s SER 27 N -2.25 4.45 0.17 4.37 0.01 -1.23 -4.80 113.70 114.42 1nae s SER 27 Ca 0.26 -0.93 -0.32 0.00 1.31 0.00 0.00 55.95 56.27 1nae s SER 27 Cb 0.19 -0.59 -0.10 0.00 0.21 0.00 0.00 66.02 65.73 1nae s SER 27 CO 0.44 -0.35 1.59 0.20 0.41 0.00 0.00 173.24 175.53 1nae s ASN 28 N -3.82 6.56 -0.27 2.44 0.01 -1.26 -4.69 114.94 113.91 1nae s ASN 28 Ca 0.38 2.65 -0.09 0.00 -0.71 0.00 0.00 52.86 55.09 1nae s ASN 28 Cb 0.00 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 39.03 1nae s ASN 28 CO 0.22 -0.84 0.12 -0.63 -1.51 0.00 0.00 177.10 174.45 1nae s ILE 29 N 1.17 4.66 0.03 0.60 1.01 0.77 -4.95 121.20 124.49 1nae s ILE 29 Ca 0.71 -0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.97 1nae s ILE 29 Cb -0.44 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 1nae s ILE 29 CO 0.31 0.28 1.17 -1.10 0.00 0.00 0.00 174.94 175.60 1nae s GLN 30 N 1.66 4.44 0.45 2.79 -1.52 -1.26 -1.75 119.66 124.46 1nae s GLN 30 Ca 0.06 1.70 0.18 0.00 -1.95 0.00 0.00 55.36 55.35 1nae s GLN 30 Cb -0.16 -3.40 1.05 0.00 -0.22 0.00 0.00 33.01 30.28 1nae s GLN 30 CO 0.06 -0.26 1.95 0.00 -0.25 0.00 0.00 175.29 176.80 1nae h ALA 31 N 6.93 1.43 0.00 6.09 0.00 -1.57 0.25 119.26 132.39 1nae h ALA 31 Ca -0.40 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1nae h ALA 31 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1nae h ALA 31 CO 0.81 0.28 0.00 -0.85 0.00 0.00 0.00 179.25 179.50 1nae n GLU 32 N -3.99 0.07 -1.01 0.00 0.00 -1.26 -3.63 120.64 110.82 1nae n GLU 32 Ca -0.02 0.28 -0.22 0.00 0.00 0.00 0.00 57.16 57.20 1nae n GLU 32 Cb 0.30 -1.63 0.10 0.00 0.00 0.00 0.00 31.44 30.21 1nae n GLU 32 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1nae n ASP 33 N -1.77 5.31 -4.77 -1.84 9.92 0.08 -4.96 116.55 118.53 1nae n ASP 33 Ca 0.03 -3.31 -0.36 0.00 -0.53 0.00 0.00 54.79 50.62 1nae n ASP 33 Cb 0.22 -0.88 0.01 0.00 -0.64 0.00 0.00 41.12 39.83 1nae n ASP 33 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 1nae s TYR 34 N -2.65 2.57 -0.13 1.24 -0.85 -1.24 -4.89 117.35 111.42 1nae s TYR 34 Ca 0.45 1.53 0.18 0.00 -0.52 0.00 0.00 57.07 58.71 1nae s TYR 34 Cb 0.37 -3.38 -0.17 0.00 0.38 0.00 0.00 41.96 39.15 1nae s TYR 34 CO 0.04 -1.83 0.67 -0.25 -1.52 0.00 0.00 175.55 172.65 1nae n ASP 35 N -1.33 0.61 -3.67 -0.18 8.00 0.79 -4.98 116.55 115.78 1nae n ASP 35 Ca 0.12 0.26 -0.10 0.00 0.71 0.00 0.00 54.79 55.79 1nae n ASP 35 Cb 0.50 0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 42.13 1nae n ASP 35 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1nae s SER 36 N -5.54 -0.36 0.15 -2.24 1.04 -1.22 -5.02 113.70 100.51 1nae s SER 36 Ca -0.05 -0.36 -0.24 0.00 0.48 0.00 0.00 55.95 55.78 1nae s SER 36 Cb 0.09 0.63 0.07 0.00 0.10 0.00 0.00 66.02 66.91 1nae s SER 36 CO 0.83 -1.12 0.71 -0.94 0.98 0.00 0.00 173.24 173.69 1nae s SER 37 N -2.85 -0.44 -0.07 7.02 1.04 -1.26 -0.84 113.70 116.31 1nae s SER 37 Ca 0.07 -0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.36 1nae s SER 37 Cb -0.03 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.69 1nae s SER 37 CO -0.03 -0.98 -0.10 -0.47 0.98 0.00 0.00 173.24 172.64 1nae s TYR 38 N -3.63 1.36 0.00 5.02 5.04 0.18 -4.98 117.35 120.34 1nae s TYR 38 Ca 0.05 -0.52 0.00 0.00 -2.44 0.00 0.00 57.07 54.15 1nae s TYR 38 Cb -0.02 -1.04 0.00 0.00 0.35 0.00 0.00 41.96 41.25 1nae s TYR 38 CO -0.07 -0.30 0.00 0.41 -1.34 0.00 0.00 175.55 174.25 1nae n GLY 39 N 4.04 1.21 0.24 8.97 0.00 -1.26 -1.15 105.19 117.24 1nae n GLY 39 Ca -0.21 0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1nae n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nae h PRO 40 N 0.00 0.00 -0.01 1.61 0.13 -1.96 -2.54 132.00 129.23 1nae h PRO 40 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1nae h PRO 40 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1nae h PRO 40 CO 0.00 0.14 -0.31 0.09 -0.23 0.00 0.00 178.00 177.69 1nae n ASN 41 N -4.13 1.31 -4.64 1.44 3.02 -1.26 -4.96 115.26 106.04 1nae n ASN 41 Ca -0.02 -1.08 -0.49 0.00 -0.03 0.00 0.00 54.58 52.96 1nae n ASN 41 Cb 0.22 0.22 -0.05 0.00 -0.61 0.00 0.00 39.78 39.56 1nae n ASN 41 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1nae n LEU 42 N -0.45 2.50 -4.37 3.41 -0.00 -0.96 -4.72 117.00 112.41 1nae n LEU 42 Ca 0.12 1.10 -0.30 0.00 -0.00 0.00 0.00 56.01 56.92 1nae n LEU 42 Cb 0.38 -1.32 -0.14 0.00 -0.00 0.00 0.00 43.42 42.33 1nae n LEU 42 CO 0.26 -0.59 -0.56 -1.10 -0.00 0.00 0.00 177.39 175.40 1nae s GLN 43 N 0.85 1.83 -0.15 1.96 -0.21 -0.27 -4.99 119.66 118.68 1nae s GLN 43 Ca 0.82 -1.10 -0.12 0.00 0.02 0.00 0.00 55.36 54.98 1nae s GLN 43 Cb -0.80 -2.01 -0.05 0.00 1.00 0.00 0.00 33.01 31.15 1nae s GLN 43 CO 0.42 0.51 0.23 0.42 -2.12 0.00 0.00 175.29 174.75 1nae s ILE 44 N -0.84 5.35 0.09 1.08 1.01 -1.26 -1.36 121.20 125.27 1nae s ILE 44 Ca 0.12 0.41 -0.07 0.00 0.00 0.00 0.00 60.65 61.11 1nae s ILE 44 Cb -0.10 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 1nae s ILE 44 CO 0.03 0.46 0.14 0.72 0.00 0.00 0.00 174.94 176.29 1nae s PHE 45 N 0.04 0.28 0.33 3.97 -0.12 -0.61 -4.98 117.98 116.89 1nae s PHE 45 Ca 0.14 -0.73 -0.15 0.00 -0.05 0.00 0.00 56.93 56.14 1nae s PHE 45 Cb -0.13 -0.15 -0.09 0.00 -0.63 0.00 0.00 43.02 42.02 1nae s PHE 45 CO 0.03 -0.51 0.75 -1.54 -0.05 0.00 0.00 175.22 173.89 1nae s SER 46 N -2.89 6.78 0.05 1.98 1.04 -1.26 -0.91 113.70 118.49 1nae s SER 46 Ca 0.07 1.30 -0.01 0.00 0.48 0.00 0.00 55.95 57.79 1nae s SER 46 Cb 0.06 -2.38 -0.04 0.00 0.10 0.00 0.00 66.02 63.76 1nae s SER 46 CO -0.10 -0.22 0.22 -0.76 0.98 0.00 0.00 173.24 173.36 1nae s LEU 47 N -3.01 4.36 0.31 2.42 1.43 0.51 -4.85 118.68 119.84 1nae s LEU 47 Ca 0.55 0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.99 1nae s LEU 47 Cb -0.10 -2.91 0.65 0.00 0.03 0.00 0.00 46.19 43.86 1nae s LEU 47 CO 0.17 0.18 1.86 -0.65 0.23 0.00 0.00 176.35 178.14 1nae h PRO 48 N 3.22 0.86 -0.04 1.29 0.11 -1.98 -2.15 132.00 133.30 1nae h PRO 48 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1nae h PRO 48 Cb 1.17 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1nae h PRO 48 CO 0.74 0.57 0.00 0.41 -0.21 0.00 0.00 178.00 179.51 1nae n GLY 49 N -1.38 -0.33 0.00 -0.55 0.00 -1.26 -5.01 105.19 96.66 1nae n GLY 49 Ca 0.18 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1nae n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nae n GLY 50 N 1.07 2.70 7.00 -0.02 0.00 -0.81 -5.13 105.19 109.99 1nae n GLY 50 Ca 0.19 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1nae n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nae n GLY 51 N 0.65 -1.85 3.25 -0.02 0.00 -1.26 -4.43 105.19 101.53 1nae n GLY 51 Ca 0.00 -1.34 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 1nae n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nae s SER 52 N -4.00 0.68 0.17 1.61 0.01 -1.26 -0.36 113.70 110.54 1nae s SER 52 Ca 0.00 -1.45 -0.12 0.00 1.31 0.00 0.00 55.95 55.70 1nae s SER 52 Cb 0.00 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1nae s SER 52 CO 0.00 -0.85 0.36 0.00 0.41 0.00 0.00 173.24 173.16 1nae s ALA 53 N -3.94 -0.30 0.09 1.44 0.00 -0.09 -4.75 121.76 114.21 1nae s ALA 53 Ca 0.39 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.70 1nae s ALA 53 Cb 0.06 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 1nae s ALA 53 CO 0.15 -0.69 0.13 0.96 0.00 0.00 0.00 175.76 176.31 1nae s ILE 54 N -3.93 4.79 0.00 0.00 -4.36 0.02 -1.57 121.20 116.15 1nae s ILE 54 Ca 0.14 -0.71 0.00 0.00 -0.26 0.00 0.00 60.65 59.82 1nae s ILE 54 Cb 0.02 -3.35 0.00 0.00 1.25 0.00 0.00 42.46 40.38 1nae s ILE 54 CO -0.01 0.08 0.00 0.61 0.24 0.00 0.00 174.94 175.86 1nae n GLY 55 N 0.24 1.33 3.96 6.27 0.00 -0.46 -1.46 105.19 115.07 1nae n GLY 55 Ca -0.08 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 1nae n GLY 55 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nae n TYR 56 N 0.00 -2.00 -3.08 1.61 4.02 -1.26 -1.11 117.16 115.33 1nae n TYR 56 Ca 0.00 0.85 -0.38 0.00 -0.01 0.00 0.00 57.90 58.36 1nae n TYR 56 Cb 0.00 -3.77 -0.06 0.00 -0.02 0.00 0.00 39.34 35.49 1nae n TYR 56 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1nae s ILE 57 N -3.47 4.51 0.23 -0.72 1.01 -1.26 -3.58 121.20 117.93 1nae s ILE 57 Ca 0.46 1.45 0.05 0.00 0.00 0.00 0.00 60.65 62.61 1nae s ILE 57 Cb -0.24 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 1nae s ILE 57 CO 0.86 0.40 -0.06 -1.61 0.00 0.00 0.00 174.94 174.54 1nae s GLU 58 N -1.47 1.36 -0.04 2.79 2.02 -1.26 -3.10 118.70 119.00 1nae s GLU 58 Ca 0.37 -1.66 -0.39 0.00 0.02 0.00 0.00 54.97 53.32 1nae s GLU 58 Cb -0.20 -0.86 -0.17 0.00 0.10 0.00 0.00 34.13 32.99 1nae s GLU 58 CO 0.23 0.02 1.38 -1.71 0.02 0.00 0.00 175.26 175.19 1nae n ASN 59 N -0.43 1.42 0.00 -0.19 4.05 -1.25 -1.70 115.26 117.16 1nae n ASN 59 Ca -0.06 1.12 0.00 0.00 0.45 0.00 0.00 54.58 56.09 1nae n ASN 59 Cb 0.63 -1.11 0.00 0.00 1.23 0.00 0.00 39.78 40.53 1nae n ASN 59 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1nae n GLY 60 N 2.73 0.94 3.79 8.20 0.00 0.21 -4.93 105.19 116.13 1nae n GLY 60 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1nae n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nae s TYR 61 N -2.68 2.88 0.04 1.61 1.51 -0.69 -4.83 117.35 115.19 1nae s TYR 61 Ca 0.00 1.52 -0.15 0.00 -1.01 0.00 0.00 57.07 57.43 1nae s TYR 61 Cb 0.00 -3.06 0.02 0.00 -0.11 0.00 0.00 41.96 38.82 1nae s TYR 61 CO 0.00 -1.28 0.33 -1.54 -1.11 0.00 0.00 175.55 171.95 1nae s SER 62 N -2.70 -0.17 0.08 2.29 1.04 -0.30 -0.54 113.70 113.41 1nae s SER 62 Ca 0.65 -0.11 0.07 0.00 0.48 0.00 0.00 55.95 57.03 1nae s SER 62 Cb -0.17 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 1nae s SER 62 CO 0.38 -0.60 -0.18 0.42 0.98 0.00 0.00 173.24 174.23 1nae s THR 63 N -2.37 1.48 -0.05 2.02 -4.23 -0.26 -0.64 115.64 111.59 1nae s THR 63 Ca -0.06 -1.37 0.04 0.00 -1.18 0.00 0.00 61.69 59.11 1nae s THR 63 Cb -0.01 -1.35 -0.02 0.00 1.34 0.00 0.00 72.50 72.45 1nae s THR 63 CO -0.02 -0.06 -0.16 -0.89 -0.54 0.00 0.00 174.62 172.95 1nae s THR 64 N -1.11 2.89 -0.25 3.99 2.01 -0.02 -0.91 115.64 122.25 1nae s THR 64 Ca 0.04 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.27 1nae s THR 64 Cb -0.10 -2.12 0.06 0.00 0.01 0.00 0.00 72.50 70.36 1nae s THR 64 CO 0.03 0.59 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.16 1nae s TYR 65 N -0.64 2.76 0.33 4.92 1.51 0.63 -0.15 117.35 126.70 1nae s TYR 65 Ca 0.10 -2.00 -0.27 0.00 -1.01 0.00 0.00 57.07 53.89 1nae s TYR 65 Cb -0.11 -1.73 -0.09 0.00 -0.11 0.00 0.00 41.96 39.92 1nae s TYR 65 CO 0.01 -0.82 1.05 0.15 -1.11 0.00 0.00 175.55 174.83 1nae s LYS 66 N 1.27 4.47 -1.16 -0.62 -0.14 -1.26 -1.58 119.74 120.71 1nae s LYS 66 Ca -0.07 1.62 -0.12 0.00 -1.36 0.00 0.00 55.97 56.04 1nae s LYS 66 Cb -0.19 -2.91 -0.02 0.00 -1.68 0.00 0.00 37.83 33.02 1nae s LYS 66 CO -0.06 0.11 0.79 0.09 -0.76 0.00 0.00 175.35 175.53 1nae n ASN 67 N 0.68 -4.54 -4.69 2.83 5.03 -1.19 -4.79 115.26 108.59 1nae n ASN 67 Ca 0.01 -0.89 -0.39 0.00 0.87 0.00 0.00 54.58 54.18 1nae n ASN 67 Cb 0.47 -4.00 -0.06 0.00 -1.02 0.00 0.00 39.78 35.18 1nae n ASN 67 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1nae s ILE 68 N -3.51 5.07 -0.59 2.41 -1.09 0.83 -3.32 121.20 121.00 1nae s ILE 68 Ca 0.35 1.20 -0.24 0.00 -2.23 0.00 0.00 60.65 59.73 1nae s ILE 68 Cb -0.10 -3.94 0.05 0.00 -1.58 0.00 0.00 42.46 36.89 1nae s ILE 68 CO 0.82 0.20 0.95 -0.62 -1.23 0.00 0.00 174.94 175.06 1nae s ASP 69 N 0.95 6.28 0.00 3.58 -1.08 0.14 -0.81 116.67 125.74 1nae s ASP 69 Ca 0.30 -0.54 0.17 0.00 -0.52 0.00 0.00 52.55 51.96 1nae s ASP 69 Cb -0.16 -2.43 0.87 0.00 -1.46 0.00 0.00 42.92 39.73 1nae s ASP 69 CO 0.12 -1.30 1.58 0.49 0.52 0.00 0.00 175.17 176.58 1nae n PHE 70 N 7.57 0.08 0.00 -5.34 3.01 0.99 -1.26 117.46 122.51 1nae n PHE 70 Ca 0.00 -0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.42 1nae n PHE 70 Cb 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 1nae n PHE 70 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nae n GLY 71 N 0.88 3.30 1.41 1.37 0.00 -1.25 -1.66 105.19 109.23 1nae n GLY 71 Ca 0.13 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.37 1nae n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nae n ASP 72 N 4.90 4.51 0.00 1.61 8.00 -1.26 0.11 116.55 134.42 1nae n ASP 72 Ca 0.00 -2.51 0.00 0.00 0.71 0.00 0.00 54.79 52.99 1nae n ASP 72 Cb 0.00 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 1nae n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nae n GLY 73 N 0.79 4.23 3.05 0.44 0.00 -0.66 -4.93 105.19 108.11 1nae n GLY 73 Ca 0.24 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 1nae n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nae s ALA 74 N -0.06 0.89 -0.01 4.61 0.00 -0.17 -4.32 121.76 122.70 1nae s ALA 74 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1nae s ALA 74 Cb 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.90 1nae s ALA 74 CO 0.00 0.21 0.84 0.25 0.00 0.00 0.00 175.76 177.06 1nae n THR 75 N 2.86 0.68 -3.81 0.00 -2.24 -0.56 -1.55 114.28 109.65 1nae n THR 75 Ca -0.14 -0.70 -0.12 0.00 -2.27 0.00 0.00 64.05 60.82 1nae n THR 75 Cb 0.56 0.63 -0.11 0.00 -2.10 0.00 0.00 70.33 69.31 1nae n THR 75 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nae s SER 76 N -0.76 -0.17 0.06 3.42 0.15 -1.02 -1.57 113.70 113.82 1nae s SER 76 Ca 0.02 0.26 0.09 0.00 0.70 0.00 0.00 55.95 57.02 1nae s SER 76 Cb 0.01 0.38 -0.03 0.00 -1.71 0.00 0.00 66.02 64.68 1nae s SER 76 CO 0.00 -0.18 -0.25 0.54 1.20 0.00 0.00 173.24 174.55 1nae s VAL 77 N -0.36 2.06 -0.06 4.45 0.11 -0.09 -1.20 120.40 125.31 1nae s VAL 77 Ca -0.05 -1.43 0.02 0.00 -2.93 0.00 0.00 61.98 57.59 1nae s VAL 77 Cb -0.03 -1.78 0.01 0.00 -1.53 0.00 0.00 36.38 33.05 1nae s VAL 77 CO 0.01 0.27 -0.11 -0.89 -3.33 0.00 0.00 175.10 171.05 1nae s THR 78 N -0.87 1.01 -0.04 5.04 2.01 0.86 -0.95 115.64 122.71 1nae s THR 78 Ca 0.11 -0.41 0.06 0.00 0.31 0.00 0.00 61.69 61.76 1nae s THR 78 Cb -0.10 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.46 1nae s THR 78 CO 0.03 0.33 -0.21 0.00 -0.69 0.00 0.00 174.62 174.07 1nae s ALA 79 N 0.72 1.83 -0.47 7.40 0.00 0.16 -0.92 121.76 130.48 1nae s ALA 79 Ca -0.14 -0.89 -0.21 0.00 0.00 0.00 0.00 51.96 50.72 1nae s ALA 79 Cb -0.15 -0.55 0.03 0.00 0.00 0.00 0.00 23.12 22.45 1nae s ALA 79 CO 0.03 0.37 0.71 0.50 0.00 0.00 0.00 175.76 177.37 1nae s ARG 80 N -0.20 3.27 0.13 0.00 3.52 0.37 0.10 118.95 126.13 1nae s ARG 80 Ca -0.00 -0.43 0.03 0.00 -0.13 0.00 0.00 55.73 55.20 1nae s ARG 80 Cb -0.11 -4.00 -0.04 0.00 -1.56 0.00 0.00 34.95 29.23 1nae s ARG 80 CO 0.02 -1.15 -0.09 0.14 -0.81 0.00 0.00 175.30 173.41 1nae s VAL 81 N 3.04 0.97 -0.06 7.11 -7.23 -0.78 -1.01 120.40 122.44 1nae s VAL 81 Ca 0.23 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.37 1nae s VAL 81 Cb -0.15 -1.78 0.03 0.00 0.56 0.00 0.00 36.38 35.05 1nae s VAL 81 CO 0.18 -0.80 0.13 0.00 -0.31 0.00 0.00 175.10 174.30 1nae s ALA 82 N -3.45 -0.25 0.06 1.32 0.00 0.30 -1.32 121.76 118.42 1nae s ALA 82 Ca 0.15 0.56 -0.26 0.00 0.00 0.00 0.00 51.96 52.40 1nae s ALA 82 Cb 0.04 -0.37 0.09 0.00 0.00 0.00 0.00 23.12 22.87 1nae s ALA 82 CO -0.02 -0.13 0.75 -0.08 0.00 0.00 0.00 175.76 176.29 1nae s THR 83 N 0.85 0.00 -1.31 0.00 -1.32 -1.14 -0.24 115.64 112.48 1nae s THR 83 Ca -0.07 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.63 1nae s THR 83 Cb -0.09 -1.00 -0.15 0.00 -1.51 0.00 0.00 72.50 69.76 1nae s THR 83 CO -0.04 0.00 0.99 0.00 -2.21 0.00 0.00 174.62 173.36 1nae n GLN 84 N -0.16 0.36 -3.79 7.08 6.02 -1.26 -0.71 117.38 124.92 1nae n GLN 84 Ca -0.13 -0.29 -0.13 0.00 -0.01 0.00 0.00 57.00 56.44 1nae n GLN 84 Cb 0.63 -1.49 -0.13 0.00 1.02 0.00 0.00 30.24 30.26 1nae n GLN 84 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1nae s ASN 85 N -2.84 -0.15 0.28 1.08 0.01 -1.26 -4.75 114.94 107.30 1nae s ASN 85 Ca 0.11 0.32 -0.30 0.00 -0.71 0.00 0.00 52.86 52.29 1nae s ASN 85 Cb 0.17 0.28 -0.13 0.00 0.41 0.00 0.00 41.25 41.98 1nae s ASN 85 CO 0.77 -0.09 1.31 0.00 -1.51 0.00 0.00 177.10 177.57 1nae n ALA 86 N 3.49 0.94 -3.56 0.60 0.00 -1.26 -4.59 120.51 116.13 1nae n ALA 86 Ca -0.18 0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.55 1nae n ALA 86 Cb 0.56 -2.23 -0.00 0.00 0.00 0.00 0.00 19.45 17.78 1nae n ALA 86 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1nae s THR 87 N -0.56 0.00 0.09 0.00 -1.32 -0.52 -4.96 115.64 108.37 1nae s THR 87 Ca 0.63 -1.17 0.08 0.00 -1.21 0.00 0.00 61.69 60.01 1nae s THR 87 Cb -0.64 -2.67 -0.03 0.00 -1.51 0.00 0.00 72.50 67.65 1nae s THR 87 CO 0.56 0.00 -0.20 0.42 -2.21 0.00 0.00 174.62 173.19 1nae s THR 88 N -2.80 1.61 -0.20 5.08 -4.23 -1.26 -0.65 115.64 113.19 1nae s THR 88 Ca 0.19 -1.48 0.01 0.00 -1.18 0.00 0.00 61.69 59.23 1nae s THR 88 Cb -0.04 -1.47 0.04 0.00 1.34 0.00 0.00 72.50 72.37 1nae s THR 88 CO 0.13 -0.07 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.37 1nae s ILE 89 N -1.15 1.93 0.25 2.99 1.01 -0.42 -2.33 121.20 123.47 1nae s ILE 89 Ca 0.05 -1.11 -0.25 0.00 0.00 0.00 0.00 60.65 59.35 1nae s ILE 89 Cb -0.10 -1.89 -0.09 0.00 0.01 0.00 0.00 42.46 40.39 1nae s ILE 89 CO 0.04 0.29 0.85 -1.10 0.00 0.00 0.00 174.94 175.01 1nae s GLN 90 N 1.29 4.53 -0.27 2.79 -0.21 -0.19 -0.09 119.66 127.50 1nae s GLN 90 Ca -0.00 1.19 -0.05 0.00 0.02 0.00 0.00 55.36 56.52 1nae s GLN 90 Cb -0.16 -2.99 0.02 0.00 1.00 0.00 0.00 33.01 30.88 1nae s GLN 90 CO -0.09 0.41 0.02 0.08 -2.12 0.00 0.00 175.29 173.58 1nae s VAL 91 N -1.43 3.50 0.18 1.09 1.01 0.82 -1.38 120.40 124.19 1nae s VAL 91 Ca 0.44 -0.84 0.11 0.00 0.00 0.00 0.00 61.98 61.69 1nae s VAL 91 Cb -0.20 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1nae s VAL 91 CO 0.25 0.13 -0.24 -0.13 0.00 0.00 0.00 175.10 175.11 1nae s ARG 92 N 1.42 1.47 -0.20 2.72 0.52 0.39 0.21 118.95 125.49 1nae s ARG 92 Ca 0.01 -1.49 -0.24 0.00 -0.52 0.00 0.00 55.73 53.50 1nae s ARG 92 Cb -0.17 -1.78 -0.01 0.00 0.52 0.00 0.00 34.95 33.51 1nae s ARG 92 CO -0.00 0.39 0.77 -0.51 0.02 0.00 0.00 175.30 175.97 1nae s LEU 93 N -2.59 4.14 0.00 2.53 1.43 -0.13 -0.88 118.68 123.18 1nae s LEU 93 Ca 0.19 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 1nae s LEU 93 Cb -0.08 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 43.02 1nae s LEU 93 CO 0.09 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 176.88 1nae n GLY 94 N 3.64 1.83 3.31 -3.19 0.00 0.17 -3.86 105.19 107.11 1nae n GLY 94 Ca 0.03 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1nae n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nae s SER 95 N 0.00 -0.06 0.58 1.61 1.04 -1.26 -4.91 113.70 110.70 1nae s SER 95 Ca 0.00 -0.58 0.27 0.00 0.48 0.00 0.00 55.95 56.12 1nae s SER 95 Cb 0.00 0.44 1.48 0.00 0.10 0.00 0.00 66.02 68.03 1nae s SER 95 CO 0.00 -0.85 1.81 -0.65 0.98 0.00 0.00 173.24 174.53 1nae h PRO 96 N 2.51 0.00 -0.06 4.02 0.11 -1.93 0.18 132.00 136.82 1nae h PRO 96 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1nae h PRO 96 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1nae h PRO 96 CO 0.49 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.71 1nae n SER 97 N -2.70 2.27 -2.84 -2.05 7.64 -1.26 -4.99 113.62 109.69 1nae n SER 97 Ca -0.02 -1.76 -0.12 0.00 1.01 0.00 0.00 58.87 57.98 1nae n SER 97 Cb 0.33 -0.03 0.08 0.00 -1.01 0.00 0.00 64.21 63.59 1nae n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nae n GLY 98 N 1.27 -1.06 3.65 0.23 0.00 0.62 -4.96 105.19 104.93 1nae n GLY 98 Ca 0.17 -1.72 -0.47 0.00 0.00 0.00 0.00 46.02 44.00 1nae n GLY 98 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nae n THR 99 N -2.70 0.40 -2.76 2.61 -1.04 -1.25 -4.62 114.28 104.92 1nae n THR 99 Ca 0.07 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.05 61.55 1nae n THR 99 Cb 0.25 -1.34 -0.04 0.00 -1.82 0.00 0.00 70.33 67.38 1nae n THR 99 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1nae s LEU 100 N 0.55 3.91 0.11 -4.42 2.96 -1.26 -0.96 118.68 119.56 1nae s LEU 100 Ca 0.76 -0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 54.43 1nae s LEU 100 Cb -0.73 -2.93 -0.18 0.00 0.50 0.00 0.00 46.19 42.85 1nae s LEU 100 CO 0.44 -1.30 1.24 -0.07 -1.32 0.00 0.00 176.35 175.34 1nae h LEU 101 N 11.25 0.38 -7.51 -0.68 3.38 -0.59 -3.46 115.31 118.08 1nae h LEU 101 Ca -0.26 -0.36 0.38 0.00 0.09 0.00 0.00 57.88 57.73 1nae h LEU 101 Cb 1.07 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.59 1nae h LEU 101 CO 1.12 1.23 0.96 -0.83 0.09 0.00 0.00 178.44 181.01 1nae s GLY 102 N -4.58 -0.34 -0.09 0.83 0.00 -1.12 -1.03 107.32 100.99 1nae s GLY 102 Ca -0.04 0.51 0.01 0.00 0.00 0.00 0.00 44.72 45.21 1nae s GLY 102 CO 0.86 3.23 -0.12 -1.59 0.00 0.00 0.00 173.10 175.49 1nae s THR 103 N -2.07 1.17 -0.24 0.90 2.01 -1.26 -0.13 115.64 116.02 1nae s THR 103 Ca 0.23 -0.46 -0.22 0.00 0.31 0.00 0.00 61.69 61.55 1nae s THR 103 Cb 0.04 -1.10 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 1nae s THR 103 CO -0.04 0.37 0.72 -0.63 -0.69 0.00 0.00 174.62 174.36 1nae s ILE 104 N 1.01 4.92 -0.80 1.82 1.01 0.86 -4.81 121.20 125.22 1nae s ILE 104 Ca -0.08 1.35 -0.19 0.00 0.00 0.00 0.00 60.65 61.73 1nae s ILE 104 Cb -0.15 -4.02 0.13 0.00 0.01 0.00 0.00 42.46 38.43 1nae s ILE 104 CO -0.01 -0.01 0.96 -0.31 0.00 0.00 0.00 174.94 175.58 1nae s TYR 105 N 2.59 3.09 -0.25 3.97 2.02 -1.26 -1.30 117.35 126.20 1nae s TYR 105 Ca 0.31 -1.22 -0.29 0.00 -0.37 0.00 0.00 57.07 55.49 1nae s TYR 105 Cb -0.15 -4.17 -0.00 0.00 -0.40 0.00 0.00 41.96 37.23 1nae s TYR 105 CO 0.08 -1.41 1.29 0.08 -1.57 0.00 0.00 175.55 174.02 1nae s VAL 106 N 2.62 4.18 0.56 0.71 1.01 0.17 -4.96 120.40 124.69 1nae s VAL 106 Ca 0.24 1.37 -0.18 0.00 0.00 0.00 0.00 61.98 63.42 1nae s VAL 106 Cb -0.12 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 1nae s VAL 106 CO -0.03 -0.36 1.07 -0.83 0.00 0.00 0.00 175.10 174.95 1nae s GLY 107 N 2.54 2.33 0.26 4.51 0.00 -1.26 -1.44 107.32 114.26 1nae s GLY 107 Ca 0.56 0.55 -0.31 0.00 0.00 0.00 0.00 44.72 45.51 1nae s GLY 107 CO 0.20 0.87 1.51 -1.26 0.00 0.00 0.00 173.10 174.43 1nae n SER 108 N -1.60 3.31 -0.77 1.64 2.88 -1.26 -4.70 113.62 113.12 1nae n SER 108 Ca 0.09 1.14 0.10 0.00 -1.33 0.00 0.00 58.87 58.87 1nae n SER 108 Cb 0.52 -1.51 0.08 0.00 -0.75 0.00 0.00 64.21 62.56 1nae n SER 108 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1nae n THR 109 N 2.21 0.00 0.00 2.46 -2.24 0.11 -4.97 114.28 111.86 1nae n THR 109 Ca 0.11 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1nae n THR 109 Cb 0.34 1.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 1nae n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nae n GLY 110 N 1.08 1.75 3.60 3.38 0.00 -1.11 -4.83 105.19 109.05 1nae n GLY 110 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1nae n GLY 110 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nae s SER 111 N -2.18 -0.52 0.00 1.61 0.15 -1.22 -4.84 113.70 106.70 1nae s SER 111 Ca 0.00 0.81 0.12 0.00 0.70 0.00 0.00 55.95 57.59 1nae s SER 111 Cb 0.00 0.76 0.59 0.00 -1.71 0.00 0.00 66.02 65.66 1nae s SER 111 CO 0.00 -0.30 1.34 0.49 1.20 0.00 0.00 173.24 175.96 1nae n PHE 112 N 1.64 0.00 0.62 3.44 3.72 -1.26 -2.21 117.46 123.42 1nae n PHE 112 Ca -0.13 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.34 1nae n PHE 112 Cb 0.56 -0.36 -0.00 0.00 -0.94 0.00 0.00 39.48 38.74 1nae n PHE 112 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1nae n ASP 113 N -1.36 1.48 -4.41 4.37 8.00 -1.26 -4.75 116.55 118.61 1nae n ASP 113 Ca 0.05 -1.24 -0.40 0.00 0.71 0.00 0.00 54.79 53.91 1nae n ASP 113 Cb 0.11 0.47 -0.11 0.00 -0.02 0.00 0.00 41.12 41.57 1nae n ASP 113 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1nae s THR 114 N -1.72 4.62 -0.09 -3.53 2.01 -0.94 -5.07 115.64 110.91 1nae s THR 114 Ca 0.12 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.46 1nae s THR 114 Cb 0.11 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 1nae s THR 114 CO 0.35 -0.08 0.07 -0.31 -0.69 0.00 0.00 174.62 173.97 1nae s TYR 115 N 1.59 3.37 0.01 4.92 1.51 -1.26 -4.31 117.35 123.18 1nae s TYR 115 Ca 0.03 0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 56.43 1nae s TYR 115 Cb -0.18 -1.85 -0.01 0.00 -0.11 0.00 0.00 41.96 39.81 1nae s TYR 115 CO 0.07 0.60 0.01 1.03 -1.11 0.00 0.00 175.55 176.14 1nae s ARG 116 N -1.04 0.25 -0.18 -0.62 1.81 -0.43 -4.93 118.95 113.81 1nae s ARG 116 Ca 0.15 -0.38 -0.25 0.00 -1.72 0.00 0.00 55.73 53.53 1nae s ARG 116 Cb -0.12 0.09 -0.02 0.00 -0.45 0.00 0.00 34.95 34.46 1nae s ARG 116 CO 0.04 -0.04 0.81 -0.51 -0.68 0.00 0.00 175.30 174.92 1nae s ASP 117 N -1.00 6.92 -0.02 0.23 1.01 -1.26 -1.86 116.67 120.69 1nae s ASP 117 Ca -0.11 1.13 0.06 0.00 0.71 0.00 0.00 52.55 54.34 1nae s ASP 117 Cb -0.07 -2.44 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 1nae s ASP 117 CO -0.00 -0.39 -0.20 -0.69 0.21 0.00 0.00 175.17 174.10 1nae s VAL 118 N 2.15 1.59 0.18 -1.27 1.01 0.11 -4.92 120.40 119.26 1nae s VAL 118 Ca 0.37 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.57 1nae s VAL 118 Cb -0.16 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1nae s VAL 118 CO 0.12 0.45 -0.16 -0.44 0.00 0.00 0.00 175.10 175.07 1nae s SER 119 N -0.44 2.55 -0.01 3.32 0.01 -1.26 0.36 113.70 118.22 1nae s SER 119 Ca 0.07 -0.93 -0.21 0.00 1.31 0.00 0.00 55.95 56.19 1nae s SER 119 Cb -0.08 -0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.05 1nae s SER 119 CO -0.01 -0.11 0.46 0.00 0.41 0.00 0.00 173.24 173.99 1nae s ALA 120 N -2.49 -1.17 0.41 1.44 0.00 -0.12 -4.74 121.76 115.09 1nae s ALA 120 Ca 0.18 0.66 -0.18 0.00 0.00 0.00 0.00 51.96 52.62 1nae s ALA 120 Cb -0.03 0.12 -0.10 0.00 0.00 0.00 0.00 23.12 23.11 1nae s ALA 120 CO 0.06 -0.35 0.88 0.95 0.00 0.00 0.00 175.76 177.31 1nae s THR 121 N -1.56 4.52 0.22 0.00 -4.23 -1.26 -0.91 115.64 112.42 1nae s THR 121 Ca -0.11 1.23 0.08 0.00 -1.18 0.00 0.00 61.69 61.71 1nae s THR 121 Cb -0.02 -3.63 -0.05 0.00 1.34 0.00 0.00 72.50 70.14 1nae s THR 121 CO 0.05 -0.35 -0.14 0.27 -0.54 0.00 0.00 174.62 173.91 1nae s ILE 122 N -2.20 1.80 0.41 2.99 -4.36 -0.61 -4.44 121.20 114.79 1nae s ILE 122 Ca 0.58 -2.22 -0.26 0.00 -0.26 0.00 0.00 60.65 58.50 1nae s ILE 122 Cb -0.10 -2.12 -0.10 0.00 1.25 0.00 0.00 42.46 41.39 1nae s ILE 122 CO 0.18 -0.54 1.21 -1.20 0.24 0.00 0.00 174.94 174.83 1nae n SER 123 N -0.43 2.28 -4.69 4.36 7.64 -0.20 -4.53 113.62 118.05 1nae n SER 123 Ca -0.07 1.11 -0.50 0.00 1.01 0.00 0.00 58.87 60.41 1nae n SER 123 Cb 0.61 -1.46 -0.05 0.00 -1.01 0.00 0.00 64.21 62.29 1nae n SER 123 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1nae n ASN 124 N 0.35 3.24 -4.19 6.43 2.85 -1.26 -4.73 115.26 117.96 1nae n ASN 124 Ca 0.07 0.99 -0.30 0.00 -0.11 0.00 0.00 54.58 55.23 1nae n ASN 124 Cb 0.39 -1.33 -0.17 0.00 1.24 0.00 0.00 39.78 39.91 1nae n ASN 124 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1nae s THR 125 N 3.93 1.82 0.07 -0.44 2.01 -0.60 -4.90 115.64 117.54 1nae s THR 125 Ca 0.94 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 62.03 1nae s THR 125 Cb -0.76 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1nae s THR 125 CO 0.54 0.51 -0.02 0.00 -0.69 0.00 0.00 174.62 174.96 1nae s ALA 126 N 0.25 0.61 0.01 7.40 0.00 -1.26 -1.00 121.76 127.77 1nae s ALA 126 Ca -0.13 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1nae s ALA 126 Cb -0.16 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1nae s ALA 126 CO 0.06 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1nae n GLY 127 N 0.07 -1.63 3.67 0.00 0.00 0.12 -4.76 105.19 102.67 1nae n GLY 127 Ca -0.13 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 1nae n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nae s VAL 128 N -0.08 5.01 0.04 1.61 1.01 -1.26 -0.01 120.40 126.72 1nae s VAL 128 Ca 0.00 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.30 1nae s VAL 128 Cb 0.00 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1nae s VAL 128 CO 0.00 0.13 -0.05 -0.54 0.00 0.00 0.00 175.10 174.64 1nae s LYS 129 N 1.70 0.49 -0.18 2.72 -0.14 0.01 -4.90 119.74 119.44 1nae s LYS 129 Ca 0.32 -0.81 -0.20 0.00 -1.36 0.00 0.00 55.97 53.92 1nae s LYS 129 Cb -0.16 -0.08 -0.03 0.00 -1.68 0.00 0.00 37.83 35.88 1nae s LYS 129 CO 0.12 -0.01 0.58 -0.51 -0.76 0.00 0.00 175.35 174.77 1nae s ASP 130 N -1.83 6.67 -0.09 2.83 1.01 -1.26 -0.12 116.67 123.88 1nae s ASP 130 Ca -0.08 0.80 -0.00 0.00 0.71 0.00 0.00 52.55 53.98 1nae s ASP 130 Cb -0.07 -2.33 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 1nae s ASP 130 CO -0.02 -0.20 -0.07 -0.63 0.21 0.00 0.00 175.17 174.46 1nae s ILE 131 N 1.59 3.66 -0.08 0.77 -1.09 -0.62 -0.65 121.20 124.77 1nae s ILE 131 Ca 0.27 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 58.25 1nae s ILE 131 Cb -0.16 -2.52 0.00 0.00 -1.58 0.00 0.00 42.46 38.21 1nae s ILE 131 CO 0.11 0.57 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.51 1nae s VAL 132 N -0.49 1.69 -0.18 2.92 1.01 -0.05 -0.27 120.40 125.03 1nae s VAL 132 Ca 0.07 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 1nae s VAL 132 Cb -0.12 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1nae s VAL 132 CO 0.02 0.48 0.05 -0.76 0.00 0.00 0.00 175.10 174.89 1nae s LEU 133 N 0.44 3.76 -0.17 3.92 1.43 -0.09 -0.46 118.68 127.52 1nae s LEU 133 Ca -0.17 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1nae s LEU 133 Cb -0.17 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1nae s LEU 133 CO 0.07 0.17 -0.15 -0.69 0.23 0.00 0.00 176.35 175.97 1nae s VAL 134 N 0.40 2.59 -0.09 -1.59 1.01 -0.48 -1.11 120.40 121.13 1nae s VAL 134 Ca 0.02 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 1nae s VAL 134 Cb -0.13 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1nae s VAL 134 CO 0.01 0.51 0.11 -0.36 0.00 0.00 0.00 175.10 175.37 1nae s PHE 135 N 0.98 3.47 -1.62 5.22 0.08 0.30 -1.02 117.98 125.38 1nae s PHE 135 Ca -0.02 0.40 0.18 0.00 0.12 0.00 0.00 56.93 57.61 1nae s PHE 135 Cb -0.15 -1.87 -0.02 0.00 -0.57 0.00 0.00 43.02 40.41 1nae s PHE 135 CO -0.03 0.65 0.92 -1.13 -0.10 0.00 0.00 175.22 175.53 1nae n SER 136 N 1.80 1.72 0.00 1.36 3.41 -0.98 0.65 113.62 121.57 1nae n SER 136 Ca -0.18 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 1nae n SER 136 Cb 0.54 0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 1nae n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nae n GLY 137 N 1.25 -1.15 3.73 5.00 0.00 -1.26 -3.97 105.19 108.79 1nae n GLY 137 Ca 0.07 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1nae n GLY 137 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nae n PRO 138 N -0.02 2.59 -3.63 1.61 -0.02 -1.18 -4.54 135.00 129.81 1nae n PRO 138 Ca 0.00 0.92 -0.10 0.00 -2.02 0.00 0.00 63.50 62.30 1nae n PRO 138 Cb 0.00 -2.70 -0.07 0.00 -0.02 0.00 0.00 33.50 30.72 1nae n PRO 138 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1nae s VAL 139 N 0.20 0.00 -0.12 -1.45 0.11 -1.26 -4.78 120.40 113.10 1nae s VAL 139 Ca 0.67 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.68 1nae s VAL 139 Cb -0.53 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.29 1nae s VAL 139 CO 0.46 0.00 0.04 0.20 -3.33 0.00 0.00 175.10 172.47 1nae s ASN 140 N 0.04 5.51 -0.08 3.54 -0.87 0.66 -4.38 114.94 119.36 1nae s ASN 140 Ca 0.02 0.17 -0.01 0.00 -1.57 0.00 0.00 52.86 51.47 1nae s ASN 140 Cb -0.04 -1.72 0.03 0.00 -0.02 0.00 0.00 41.25 39.50 1nae s ASN 140 CO -0.04 0.32 -0.04 -0.69 -2.57 0.00 0.00 177.10 174.09 1nae s VAL 141 N -0.55 0.65 -0.15 1.60 1.01 -0.54 -0.54 120.40 121.89 1nae s VAL 141 Ca 0.10 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 1nae s VAL 141 Cb -0.12 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 1nae s VAL 141 CO 0.02 0.30 -0.08 -0.78 0.00 0.00 0.00 175.10 174.56 1nae h ASP 142 N 8.05 0.00 -5.06 3.32 1.82 -1.36 0.11 116.42 123.28 1nae h ASP 142 Ca -0.26 -0.09 0.01 0.00 -0.39 0.00 0.00 57.03 56.29 1nae h ASP 142 Cb 1.13 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 41.06 1nae h ASP 142 CO 0.35 0.83 0.10 -1.66 -1.61 0.00 0.00 179.24 177.26 1nae s TRP 143 N -2.17 -0.14 0.06 0.28 1.48 -1.25 -1.65 118.94 115.55 1nae s TRP 143 Ca -0.15 -0.23 -0.04 0.00 -1.06 0.00 0.00 56.10 54.63 1nae s TRP 143 Cb 0.02 0.50 -0.03 0.00 -1.16 0.00 0.00 33.47 32.80 1nae s TRP 143 CO 0.25 -1.03 0.04 -0.59 -4.06 0.00 0.00 176.95 171.57 1nae s PHE 144 N -3.89 0.37 0.04 1.66 -0.71 -0.72 -0.48 117.98 114.26 1nae s PHE 144 Ca 0.10 -0.85 -0.22 0.00 -1.04 0.00 0.00 56.93 54.93 1nae s PHE 144 Cb -0.03 -0.26 0.05 0.00 -1.21 0.00 0.00 43.02 41.57 1nae s PHE 144 CO 0.01 -0.42 0.50 0.54 -1.34 0.00 0.00 175.22 174.51 1nae s VAL 145 N -3.66 0.03 0.26 -2.49 0.11 -0.09 -0.16 120.40 114.40 1nae s VAL 145 Ca 0.04 -0.28 0.11 0.00 -2.93 0.00 0.00 61.98 58.92 1nae s VAL 145 Cb 0.05 -0.96 -0.05 0.00 -1.53 0.00 0.00 36.38 33.89 1nae s VAL 145 CO -0.09 -0.15 -0.11 -0.36 -3.33 0.00 0.00 175.10 171.05 1nae s PHE 146 N -2.40 2.48 0.03 1.54 0.08 0.27 -0.09 117.98 119.89 1nae s PHE 146 Ca -0.06 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 56.73 1nae s PHE 146 Cb -0.01 -1.10 -0.02 0.00 -0.57 0.00 0.00 43.02 41.32 1nae s PHE 146 CO -0.01 0.65 -0.06 -1.12 -0.10 0.00 0.00 175.22 174.57 1nae s SER 147 N -3.48 0.70 0.00 1.36 0.01 -0.34 -4.21 113.70 107.74 1nae s SER 147 Ca 0.30 -0.43 0.25 0.00 1.31 0.00 0.00 55.95 57.38 1nae s SER 147 Cb -0.06 0.02 0.49 0.00 0.21 0.00 0.00 66.02 66.68 1nae s SER 147 CO 0.17 -0.15 1.43 1.17 0.41 0.00 0.00 173.24 176.26