#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4cha s VAL 17 N 0.00 5.05 -0.91 1.39 1.01 -1.24 -3.92 120.40 121.78 4cha s VAL 17 Ca 0.00 1.18 -0.00 0.00 0.00 0.00 0.00 61.98 63.16 4cha s VAL 17 Cb 0.00 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.44 4cha s VAL 17 CO 0.00 0.16 0.03 -3.20 0.00 0.00 0.00 175.10 172.09 4cha n ASN 18 N 4.69 -3.56 -0.64 3.32 2.85 -1.26 -5.03 115.26 115.63 4cha n ASN 18 Ca -0.02 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 4cha n ASN 18 Cb 0.50 -2.77 0.00 0.00 1.24 0.00 0.00 39.78 38.75 4cha n ASN 18 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 4cha n GLY 19 N -1.02 1.39 3.21 8.20 0.00 -1.26 -5.15 105.19 110.57 4cha n GLY 19 Ca -0.12 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 43.87 4cha n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4cha s GLU 20 N 2.47 0.81 0.22 1.61 2.02 -1.26 -5.13 118.70 119.44 4cha s GLU 20 Ca 0.00 -0.79 -0.30 0.00 0.02 0.00 0.00 54.97 53.90 4cha s GLU 20 Cb 0.00 0.34 -0.09 0.00 0.10 0.00 0.00 34.13 34.47 4cha s GLU 20 CO 0.00 -0.26 1.38 -2.00 0.02 0.00 0.00 175.26 174.40 4cha s GLU 21 N -3.33 4.32 0.61 1.61 2.12 -1.26 -5.01 118.70 117.77 4cha s GLU 21 Ca 0.01 2.18 -0.09 0.00 0.36 0.00 0.00 54.97 57.42 4cha s GLU 21 Cb 0.02 -3.16 -0.02 0.00 0.26 0.00 0.00 34.13 31.24 4cha s GLU 21 CO -0.08 -0.35 0.99 0.00 -0.54 0.00 0.00 175.26 175.28 4cha s ALA 22 N 0.15 3.13 0.10 6.30 0.00 -1.26 -5.04 121.76 125.14 4cha s ALA 22 Ca 0.59 -0.31 -0.30 0.00 0.00 0.00 0.00 51.96 51.93 4cha s ALA 22 Cb -0.39 -2.91 -0.06 0.00 0.00 0.00 0.00 23.12 19.75 4cha s ALA 22 CO 0.40 -0.76 1.13 0.08 0.00 0.00 0.00 175.76 176.61 4cha s VAL 23 N -3.12 4.07 0.09 0.00 1.01 -1.26 -4.93 120.40 116.25 4cha s VAL 23 Ca 0.54 1.60 -0.35 0.00 0.00 0.00 0.00 61.98 63.77 4cha s VAL 23 Cb -0.11 -4.02 -0.14 0.00 0.00 0.00 0.00 36.38 32.11 4cha s VAL 23 CO 0.51 0.19 1.59 -2.65 0.00 0.00 0.00 175.10 174.73 4cha n PRO 24 N 3.28 1.93 -0.92 2.72 -0.02 -1.26 -1.68 135.00 139.06 4cha n PRO 24 Ca 0.06 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 4cha n PRO 24 Cb 0.47 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 4cha n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4cha n GLY 25 N 3.43 0.51 0.00 -1.23 0.00 -1.26 -4.90 105.19 101.74 4cha n GLY 25 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 4cha n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 4cha n SER 26 N -0.16 0.00 -3.38 1.61 3.41 -0.68 -3.55 113.62 110.87 4cha n SER 26 Ca 0.00 -0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 4cha n SER 26 Cb 0.08 -0.30 -0.08 0.00 -0.26 0.00 0.00 64.21 63.65 4cha n SER 26 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 4cha n TRP 27 N -1.30 1.52 0.29 7.33 7.02 -1.26 -4.98 117.44 126.06 4cha n TRP 27 Ca 0.10 -3.85 0.13 0.00 -1.02 0.00 0.00 57.50 52.87 4cha n TRP 27 Cb 0.18 -0.39 0.63 0.00 -2.42 0.00 0.00 31.31 29.31 4cha n TRP 27 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 4cha h PRO 28 N 4.40 0.00 0.00 -0.99 0.13 -1.77 -1.96 132.00 131.81 4cha h PRO 28 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 4cha h PRO 28 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 4cha h PRO 28 CO 0.62 0.00 -0.60 0.11 -0.23 0.00 0.00 178.00 177.90 4cha h TRP 29 N 0.00 0.00 -2.72 1.56 0.09 -1.77 -2.55 115.95 110.57 4cha h TRP 29 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 58.89 58.45 4cha h TRP 29 Cb 0.22 0.00 0.02 0.00 0.08 0.00 0.00 29.16 29.48 4cha h TRP 29 CO 0.00 0.00 0.97 -1.14 0.09 0.00 0.00 178.44 178.36 4cha s GLN 30 N -3.25 4.20 0.23 0.12 2.00 -0.74 -0.89 119.66 121.33 4cha s GLN 30 Ca 0.04 2.32 0.09 0.00 -2.00 0.00 0.00 55.36 55.81 4cha s GLN 30 Cb 0.10 -3.53 -0.05 0.00 0.80 0.00 0.00 33.01 30.33 4cha s GLN 30 CO 0.73 -0.71 -0.16 0.14 -0.50 0.00 0.00 175.29 174.80 4cha s VAL 31 N 2.40 1.94 -0.14 1.34 -7.23 -0.64 -4.45 120.40 113.63 4cha s VAL 31 Ca 0.73 -2.26 0.02 0.00 -1.81 0.00 0.00 61.98 58.65 4cha s VAL 31 Cb -0.40 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.40 4cha s VAL 31 CO 0.32 -0.53 -0.19 -0.55 -0.31 0.00 0.00 175.10 173.85 4cha s SER 32 N -3.38 3.43 -0.22 4.85 0.15 0.19 -2.35 113.70 116.36 4cha s SER 32 Ca 0.25 -0.51 -0.09 0.00 0.70 0.00 0.00 55.95 56.30 4cha s SER 32 Cb -0.02 -1.50 -0.05 0.00 -1.71 0.00 0.00 66.02 62.74 4cha s SER 32 CO 0.09 0.11 0.12 -0.76 1.20 0.00 0.00 173.24 174.01 4cha s LEU 33 N 0.65 3.97 0.03 3.45 1.43 0.74 -0.22 118.68 128.74 4cha s LEU 33 Ca -0.09 0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.16 4cha s LEU 33 Cb -0.16 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 4cha s LEU 33 CO 0.02 0.09 -0.22 -1.10 0.23 0.00 0.00 176.35 175.37 4cha s GLN 34 N 0.91 2.00 0.09 1.70 -0.21 -0.44 -0.35 119.66 123.35 4cha s GLN 34 Ca 0.06 -1.01 -0.01 0.00 0.02 0.00 0.00 55.36 54.42 4cha s GLN 34 Cb -0.13 -2.10 0.02 0.00 1.00 0.00 0.00 33.01 31.79 4cha s GLN 34 CO 0.03 0.54 0.12 -0.40 -2.12 0.00 0.00 175.29 173.45 4cha n ASP 35 N 1.78 0.04 -0.27 5.90 3.85 -0.63 -0.52 116.55 126.70 4cha n ASP 35 Ca -0.17 -1.06 0.10 0.00 -0.71 0.00 0.00 54.79 52.95 4cha n ASP 35 Cb 0.52 -0.09 0.46 0.00 -1.35 0.00 0.00 41.12 40.67 4cha n ASP 35 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 4cha n LYS 36 N -1.24 1.35 0.04 0.11 4.76 -1.26 -2.62 118.16 119.30 4cha n LYS 36 Ca 0.02 -0.53 0.12 0.00 -2.87 0.00 0.00 58.31 55.05 4cha n LYS 36 Cb 0.05 -1.34 0.24 0.00 -1.84 0.00 0.00 35.03 32.15 4cha n LYS 36 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 4cha n THR 37 N -0.25 0.22 -0.14 -0.18 -2.24 -1.26 -4.91 114.28 105.52 4cha n THR 37 Ca 0.15 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 4cha n THR 37 Cb 0.19 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 4cha n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 4cha n GLY 38 N 1.40 0.92 3.70 3.38 0.00 -1.08 -5.09 105.19 108.42 4cha n GLY 38 Ca 0.04 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 4cha n GLY 38 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 4cha s PHE 39 N -2.00 3.18 0.01 1.61 -0.71 -1.26 -4.82 117.98 114.00 4cha s PHE 39 Ca 0.00 0.19 -0.30 0.00 -1.04 0.00 0.00 56.93 55.78 4cha s PHE 39 Cb 0.00 -1.77 -0.08 0.00 -1.21 0.00 0.00 43.02 39.97 4cha s PHE 39 CO 0.00 0.49 1.80 -1.58 -1.34 0.00 0.00 175.22 174.58 4cha s HIS 40 N -0.96 1.76 0.00 3.49 5.65 -1.26 -1.60 115.29 122.38 4cha s HIS 40 Ca 0.15 -0.08 0.00 0.00 0.25 0.00 0.00 55.06 55.39 4cha s HIS 40 Cb -0.11 -4.08 0.00 0.00 -1.18 0.00 0.00 32.58 27.21 4cha s HIS 40 CO 0.05 -4.64 0.00 1.97 -0.65 0.00 0.00 174.74 171.46 4cha n PHE 41 N 6.98 0.00 -3.56 3.88 1.16 0.52 -4.98 117.46 121.46 4cha n PHE 41 Ca 0.18 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.67 4cha n PHE 41 Cb 0.41 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.27 4cha n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 4cha s GLY 43 N -2.71 1.91 0.20 0.00 0.00 -1.26 -0.18 107.32 105.28 4cha s GLY 43 Ca 0.06 -1.63 -0.23 0.00 0.00 0.00 0.00 44.72 42.92 4cha s GLY 43 CO -0.06 -1.46 0.95 -0.32 0.00 0.00 0.00 173.10 172.21 4cha s GLY 44 N -4.33 -0.02 -0.01 0.20 0.00 -0.99 -4.69 107.32 97.48 4cha s GLY 44 Ca 0.54 -0.18 0.01 0.00 0.00 0.00 0.00 44.72 45.09 4cha s GLY 44 CO 0.33 0.83 -0.02 -0.56 0.00 0.00 0.00 173.10 173.68 4cha s SER 45 N -3.13 0.33 -0.09 1.64 0.01 0.45 -1.61 113.70 111.31 4cha s SER 45 Ca 0.16 -0.04 -0.30 0.00 1.31 0.00 0.00 55.95 57.08 4cha s SER 45 Cb -0.03 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 4cha s SER 45 CO 0.05 -0.01 1.06 -0.76 0.41 0.00 0.00 173.24 173.99 4cha s LEU 46 N 0.25 4.26 -0.00 2.44 1.43 -0.07 -0.10 118.68 126.89 4cha s LEU 46 Ca -0.02 1.62 0.08 0.00 -1.03 0.00 0.00 54.13 54.77 4cha s LEU 46 Cb -0.05 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.52 4cha s LEU 46 CO -0.01 -0.48 0.29 2.30 0.23 0.00 0.00 176.35 178.69 4cha n ILE 47 N 4.53 0.00 -3.88 -0.59 -5.35 -0.68 -1.67 119.36 111.72 4cha n ILE 47 Ca 0.09 -0.27 -0.09 0.00 -0.27 0.00 0.00 62.75 62.21 4cha n ILE 47 Cb 0.48 0.78 -0.04 0.00 -1.74 0.00 0.00 39.64 39.12 4cha n ILE 47 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 4cha s ASN 48 N -2.14 -0.18 0.49 7.28 0.02 -1.20 -4.69 114.94 114.52 4cha s ASN 48 Ca 0.01 -0.71 0.26 0.00 -1.02 0.00 0.00 52.86 51.40 4cha s ASN 48 Cb 0.06 0.62 1.24 0.00 0.02 0.00 0.00 41.25 43.19 4cha s ASN 48 CO 0.33 -1.16 1.97 -0.08 0.02 0.00 0.00 177.10 178.18 4cha h GLU 49 N 2.18 0.00 -0.00 -0.60 4.81 -1.96 -3.24 114.58 115.76 4cha h GLU 49 Ca -0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 4cha h GLU 49 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 4cha h GLU 49 CO 0.33 0.17 -0.31 0.09 -0.73 0.00 0.00 179.01 178.56 4cha n ASN 50 N -3.53 0.71 -4.10 1.04 3.02 -1.26 -0.07 115.26 111.07 4cha n ASN 50 Ca -0.01 -0.86 -0.16 0.00 -0.03 0.00 0.00 54.58 53.53 4cha n ASN 50 Cb 0.32 0.77 -0.12 0.00 -0.61 0.00 0.00 39.78 40.14 4cha n ASN 50 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 4cha s TRP 51 N -1.56 0.89 -0.01 3.10 0.52 -1.22 0.09 118.94 120.75 4cha s TRP 51 Ca 0.05 -0.44 0.05 0.00 0.02 0.00 0.00 56.10 55.77 4cha s TRP 51 Cb 0.07 -0.52 -0.01 0.00 -1.15 0.00 0.00 33.47 31.85 4cha s TRP 51 CO 0.29 -0.02 -0.15 0.08 0.02 0.00 0.00 176.95 177.17 4cha s VAL 52 N -1.20 1.18 -0.08 4.03 1.01 -0.53 -1.69 120.40 123.12 4cha s VAL 52 Ca -0.05 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.32 4cha s VAL 52 Cb -0.09 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 4cha s VAL 52 CO 0.01 0.34 -0.15 0.54 0.00 0.00 0.00 175.10 175.84 4cha s VAL 53 N -0.31 2.94 0.00 2.92 0.11 0.86 -0.34 120.40 126.58 4cha s VAL 53 Ca 0.05 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.36 4cha s VAL 53 Cb -0.06 -2.17 0.00 0.00 -1.53 0.00 0.00 36.38 32.62 4cha s VAL 53 CO -0.00 0.57 0.00 1.07 -3.33 0.00 0.00 175.10 173.40 4cha n THR 54 N 2.81 0.00 -3.47 5.04 5.66 0.52 -0.41 114.28 124.43 4cha n THR 54 Ca -0.18 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.44 4cha n THR 54 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 4cha n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 4cha s ALA 55 N -1.80 3.68 0.39 1.79 0.00 -1.26 -1.82 121.76 122.72 4cha s ALA 55 Ca 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 51.83 4cha s ALA 55 Cb 0.00 -2.42 0.78 0.00 0.00 0.00 0.00 23.12 21.47 4cha s ALA 55 CO 0.00 0.45 1.99 0.00 0.00 0.00 0.00 175.76 178.20 4cha h ALA 56 N 4.81 1.59 0.00 0.00 0.00 -1.73 -2.52 119.26 121.41 4cha h ALA 56 Ca -0.51 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.30 4cha h ALA 56 Cb 1.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.85 4cha h ALA 56 CO 0.62 0.33 0.00 1.12 0.00 0.00 0.00 179.25 181.32 4cha h HIS 57 N 0.51 0.00 0.00 0.00 2.07 -1.93 -2.73 115.15 113.07 4cha h HIS 57 Ca 0.13 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.65 4cha h HIS 57 Cb 0.10 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.08 4cha h HIS 57 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 4cha n GLY 59 N -0.65 -0.42 3.77 0.00 0.00 -1.03 -4.93 105.19 101.93 4cha n GLY 59 Ca -0.00 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 4cha n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4cha s VAL 60 N -3.45 2.79 0.32 1.61 1.01 -1.26 -5.03 120.40 116.39 4cha s VAL 60 Ca 0.48 0.78 0.04 0.00 0.00 0.00 0.00 61.98 63.28 4cha s VAL 60 Cb -0.25 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 4cha s VAL 60 CO 0.85 0.17 0.05 0.42 0.00 0.00 0.00 175.10 176.60 4cha s THR 61 N -1.17 1.16 -1.38 3.92 -4.23 -1.26 -4.98 115.64 107.70 4cha s THR 61 Ca 0.50 -2.01 0.14 0.00 -1.18 0.00 0.00 61.69 59.15 4cha s THR 61 Cb -0.38 -2.76 0.23 0.00 1.34 0.00 0.00 72.50 70.93 4cha s THR 61 CO 0.51 -0.02 1.39 1.07 -0.54 0.00 0.00 174.62 177.02 4cha n THR 62 N -0.66 0.66 0.12 3.99 5.66 -1.26 -1.51 114.28 121.28 4cha n THR 62 Ca -0.02 0.17 0.04 0.00 -3.05 0.00 0.00 64.05 61.18 4cha n THR 62 Cb 0.66 -0.93 0.01 0.00 -1.55 0.00 0.00 70.33 68.52 4cha n THR 62 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 4cha h SER 63 N 0.00 0.00 -4.37 1.09 0.87 -1.96 -3.41 113.55 105.77 4cha h SER 63 Ca 0.00 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.06 4cha h SER 63 Cb 0.15 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.19 4cha h SER 63 CO 0.00 0.40 0.39 -1.81 -0.53 0.00 0.00 176.83 175.28 4cha s ASP 64 N -6.12 5.46 0.03 6.23 -0.00 -0.57 -4.27 116.67 117.42 4cha s ASP 64 Ca 0.02 1.37 0.06 0.00 -0.00 0.00 0.00 52.55 54.01 4cha s ASP 64 Cb 0.08 -2.25 -0.02 0.00 -0.00 0.00 0.00 42.92 40.72 4cha s ASP 64 CO 0.76 -1.36 -0.18 0.54 -0.00 0.00 0.00 175.17 174.93 4cha s VAL 65 N -3.19 1.45 -0.24 -1.27 0.11 0.32 -4.27 120.40 113.31 4cha s VAL 65 Ca 0.58 -1.05 -0.12 0.00 -2.93 0.00 0.00 61.98 58.46 4cha s VAL 65 Cb -0.12 -1.26 -0.05 0.00 -1.53 0.00 0.00 36.38 33.42 4cha s VAL 65 CO 0.54 0.18 0.21 -0.69 -3.33 0.00 0.00 175.10 172.01 4cha s VAL 66 N -0.74 5.32 -0.22 2.04 1.01 -0.19 -1.32 120.40 126.30 4cha s VAL 66 Ca 0.06 0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 4cha s VAL 66 Cb -0.08 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 4cha s VAL 66 CO 0.01 0.32 -0.05 -0.69 0.00 0.00 0.00 175.10 174.69 4cha s VAL 67 N 1.19 3.27 0.14 2.92 1.01 0.69 0.45 120.40 130.08 4cha s VAL 67 Ca 0.10 -0.56 0.11 0.00 0.00 0.00 0.00 61.98 61.62 4cha s VAL 67 Cb -0.14 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 4cha s VAL 67 CO 0.06 0.40 -0.23 0.00 0.00 0.00 0.00 175.10 175.33 4cha s ALA 68 N 1.46 2.52 -0.06 5.51 0.00 -0.49 -0.64 121.76 130.06 4cha s ALA 68 Ca 0.05 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.53 4cha s ALA 68 Cb -0.14 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.52 4cha s ALA 68 CO -0.04 0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.65 4cha n GLY 69 N 0.68 0.46 3.89 0.00 0.00 -1.26 -0.93 105.19 108.02 4cha n GLY 69 Ca -0.16 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 4cha n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 4cha s GLU 70 N -1.44 3.60 0.10 1.61 2.12 -1.26 -4.53 118.70 118.89 4cha s GLU 70 Ca 0.00 -0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.23 4cha s GLU 70 Cb 0.00 -2.96 0.00 0.00 0.26 0.00 0.00 34.13 31.43 4cha s GLU 70 CO 0.00 0.55 0.00 0.34 -0.54 0.00 0.00 175.26 175.61 4cha n PHE 71 N 0.50 -0.24 -4.05 5.30 7.35 -1.26 -4.88 117.46 120.19 4cha n PHE 71 Ca -0.06 0.04 -0.35 0.00 -0.76 0.00 0.00 57.45 56.32 4cha n PHE 71 Cb 0.52 0.07 -0.13 0.00 0.35 0.00 0.00 39.48 40.29 4cha n PHE 71 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 4cha s ASP 72 N -5.69 4.83 0.13 -2.13 2.15 -1.26 -5.00 116.67 109.69 4cha s ASP 72 Ca 0.00 -0.21 0.25 0.00 0.43 0.00 0.00 52.55 53.03 4cha s ASP 72 Cb 0.00 -1.83 0.95 0.00 -0.30 0.00 0.00 42.92 41.74 4cha s ASP 72 CO 0.00 0.06 1.78 0.00 -0.17 0.00 0.00 175.17 176.84 4cha n GLN 73 N 4.29 0.14 0.00 4.34 6.02 -1.26 -3.02 117.38 127.89 4cha n GLN 73 Ca -0.17 0.19 0.13 0.00 -0.01 0.00 0.00 57.00 57.14 4cha n GLN 73 Cb 0.52 -1.69 0.40 0.00 1.02 0.00 0.00 30.24 30.49 4cha n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 4cha n GLY 74 N 1.01 -0.73 3.70 1.08 0.00 -1.26 -4.92 105.19 104.06 4cha n GLY 74 Ca 0.05 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.26 4cha n GLY 74 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 4cha n SER 75 N -0.79 3.69 -0.38 1.61 7.64 -1.17 -4.85 113.62 119.37 4cha n SER 75 Ca 0.12 1.06 0.11 0.00 1.01 0.00 0.00 58.87 61.17 4cha n SER 75 Cb 0.34 -1.52 0.48 0.00 -1.01 0.00 0.00 64.21 62.50 4cha n SER 75 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 4cha n SER 76 N 3.94 1.16 0.00 6.43 3.41 -1.26 -4.79 113.62 122.51 4cha n SER 76 Ca 0.17 -1.55 0.00 0.00 -0.26 0.00 0.00 58.87 57.22 4cha n SER 76 Cb 0.33 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 4cha n SER 76 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 4cha n SER 77 N -0.04 0.00 -3.62 4.04 2.88 -1.26 -5.20 113.62 110.42 4cha n SER 77 Ca 0.17 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.60 4cha n SER 77 Cb 0.26 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.68 4cha n SER 77 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 4cha s GLU 78 N -0.20 1.76 -0.98 -1.46 2.12 -1.26 -5.10 118.70 113.58 4cha s GLU 78 Ca 0.00 -1.44 -0.15 0.00 0.36 0.00 0.00 54.97 53.74 4cha s GLU 78 Cb 0.00 0.48 0.18 0.00 0.26 0.00 0.00 34.13 35.06 4cha s GLU 78 CO 0.00 -0.75 1.08 0.21 -0.54 0.00 0.00 175.26 175.27 4cha s LYS 79 N -3.48 3.78 0.37 4.30 2.20 -1.26 -4.98 119.74 120.66 4cha s LYS 79 Ca 0.24 -2.31 0.08 0.00 -0.36 0.00 0.00 55.97 53.62 4cha s LYS 79 Cb -0.01 -4.76 -0.05 0.00 -1.51 0.00 0.00 37.83 31.50 4cha s LYS 79 CO 0.13 -1.57 0.13 0.96 -0.36 0.00 0.00 175.35 174.64 4cha s ILE 80 N 1.24 2.61 -0.21 5.43 -4.36 -1.26 -4.63 121.20 120.02 4cha s ILE 80 Ca 0.30 -1.76 0.01 0.00 -0.26 0.00 0.00 60.65 58.94 4cha s ILE 80 Cb -0.07 -2.94 0.05 0.00 1.25 0.00 0.00 42.46 40.75 4cha s ILE 80 CO -0.07 -0.11 -0.10 -1.10 0.24 0.00 0.00 174.94 173.81 4cha s GLN 81 N -3.84 1.97 -0.34 0.37 -0.21 -0.11 -5.00 119.66 112.50 4cha s GLN 81 Ca 0.39 -0.88 -0.17 0.00 0.02 0.00 0.00 55.36 54.71 4cha s GLN 81 Cb 0.01 -2.45 -0.01 0.00 1.00 0.00 0.00 33.01 31.56 4cha s GLN 81 CO 0.22 -0.46 0.48 0.15 -2.12 0.00 0.00 175.29 173.56 4cha s LYS 82 N 1.39 3.63 -0.10 2.91 3.01 -1.26 -1.39 119.74 127.92 4cha s LYS 82 Ca -0.02 -0.20 0.02 0.00 -1.01 0.00 0.00 55.97 54.76 4cha s LYS 82 Cb -0.17 -3.80 -0.01 0.00 -1.01 0.00 0.00 37.83 32.84 4cha s LYS 82 CO -0.08 -0.60 -0.17 -0.51 0.51 0.00 0.00 175.35 174.50 4cha s LEU 83 N 2.30 2.50 0.52 3.17 1.43 0.17 -4.95 118.68 123.82 4cha s LEU 83 Ca 0.17 -0.38 -0.16 0.00 -1.03 0.00 0.00 54.13 52.73 4cha s LEU 83 Cb -0.16 -1.53 -0.08 0.00 0.03 0.00 0.00 46.19 44.46 4cha s LEU 83 CO 0.13 0.21 0.99 -0.54 0.23 0.00 0.00 176.35 177.36 4cha s LYS 84 N 0.08 3.93 -0.24 1.70 1.02 -1.26 -1.02 119.74 123.95 4cha s LYS 84 Ca -0.07 0.96 -0.10 0.00 0.02 0.00 0.00 55.97 56.77 4cha s LYS 84 Cb -0.15 -2.13 -0.05 0.00 -0.52 0.00 0.00 37.83 34.98 4cha s LYS 84 CO 0.05 -0.29 0.14 0.42 -0.92 0.00 0.00 175.35 174.76 4cha s ILE 85 N -2.63 5.20 -0.11 2.17 1.01 -1.26 -0.45 121.20 125.13 4cha s ILE 85 Ca 0.59 0.13 -0.13 0.00 0.00 0.00 0.00 60.65 61.24 4cha s ILE 85 Cb -0.10 -3.42 -0.26 0.00 0.01 0.00 0.00 42.46 38.68 4cha s ILE 85 CO 0.32 0.35 0.47 0.00 0.00 0.00 0.00 174.94 176.08 4cha h ALA 86 N 7.57 0.27 -2.65 9.38 0.00 -1.03 -3.44 119.26 129.37 4cha h ALA 86 Ca -0.38 -1.21 -0.11 0.00 0.00 0.00 0.00 54.91 53.21 4cha h ALA 86 Cb 1.17 0.58 -0.24 0.00 0.00 0.00 0.00 17.79 19.31 4cha h ALA 86 CO 0.64 1.01 -0.19 0.21 0.00 0.00 0.00 179.25 180.92 4cha s LYS 87 N -2.51 0.53 -0.18 0.00 2.20 -1.13 -5.00 119.74 113.64 4cha s LYS 87 Ca -0.21 0.58 -0.08 0.00 -0.36 0.00 0.00 55.97 55.90 4cha s LYS 87 Cb 0.05 0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 36.59 4cha s LYS 87 CO 0.76 -0.07 0.09 0.08 -0.36 0.00 0.00 175.35 175.85 4cha s VAL 88 N 0.16 5.04 -0.51 4.02 1.01 -1.26 -1.33 120.40 127.53 4cha s VAL 88 Ca -0.01 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.04 4cha s VAL 88 Cb -0.03 -3.28 0.13 0.00 0.00 0.00 0.00 36.38 33.20 4cha s VAL 88 CO 0.01 0.46 0.28 -0.36 0.00 0.00 0.00 175.10 175.49 4cha s PHE 89 N 0.28 3.37 0.31 5.22 0.40 0.78 -5.01 117.98 123.34 4cha s PHE 89 Ca 0.06 -2.95 -0.27 0.00 -0.60 0.00 0.00 56.93 53.16 4cha s PHE 89 Cb -0.12 -2.98 -0.10 0.00 0.51 0.00 0.00 43.02 40.33 4cha s PHE 89 CO -0.01 -0.82 0.97 -1.59 0.70 0.00 0.00 175.22 174.47 4cha s LYS 90 N 0.08 4.61 -0.05 0.44 -2.85 -1.26 -0.63 119.74 120.07 4cha s LYS 90 Ca 0.15 1.43 -0.30 0.00 -1.00 0.00 0.00 55.97 56.26 4cha s LYS 90 Cb -0.23 -2.92 -0.02 0.00 -2.06 0.00 0.00 37.83 32.60 4cha s LYS 90 CO -0.03 0.28 1.02 1.21 0.10 0.00 0.00 175.35 177.93 4cha s ASN 91 N -1.44 7.28 0.65 0.03 3.84 -0.87 -4.90 114.94 119.53 4cha s ASN 91 Ca 0.48 1.63 0.41 0.00 0.21 0.00 0.00 52.86 55.59 4cha s ASN 91 Cb -0.22 -2.56 2.25 0.00 -0.55 0.00 0.00 41.25 40.17 4cha s ASN 91 CO 0.28 -0.37 2.34 0.77 -2.79 0.00 0.00 177.10 177.32 4cha h SER 92 N 6.97 0.00 -0.04 -4.21 4.64 -1.94 -1.16 113.55 117.82 4cha h SER 92 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 4cha h SER 92 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 4cha h SER 92 CO 0.81 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 177.06 4cha n LYS 93 N -3.28 1.44 -1.80 4.77 4.76 -1.26 -4.90 118.16 117.90 4cha n LYS 93 Ca -0.03 -0.65 -0.42 0.00 -2.87 0.00 0.00 58.31 54.34 4cha n LYS 93 Cb 0.08 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 31.80 4cha n LYS 93 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 4cha s TYR 94 N -1.95 2.23 -0.38 2.13 5.04 -0.44 -4.68 117.35 119.29 4cha s TYR 94 Ca 0.38 0.10 -0.13 0.00 -2.44 0.00 0.00 57.07 54.98 4cha s TYR 94 Cb 0.20 -4.10 0.02 0.00 0.35 0.00 0.00 41.96 38.43 4cha s TYR 94 CO 0.31 -4.49 0.24 1.21 -1.34 0.00 0.00 175.55 171.49 4cha s ASN 95 N 2.64 5.91 0.00 4.32 3.84 -0.78 -4.98 114.94 125.89 4cha s ASN 95 Ca 0.78 -0.86 0.15 0.00 0.21 0.00 0.00 52.86 53.14 4cha s ASN 95 Cb -0.43 -2.09 0.90 0.00 -0.55 0.00 0.00 41.25 39.08 4cha s ASN 95 CO 0.35 -0.38 1.42 -1.54 -2.79 0.00 0.00 177.10 174.16 4cha n SER 96 N 5.07 0.00 -0.11 -4.21 3.41 -1.26 -0.02 113.62 116.50 4cha n SER 96 Ca -0.12 -1.08 -0.19 0.00 -0.26 0.00 0.00 58.87 57.23 4cha n SER 96 Cb 0.47 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.32 4cha n SER 96 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 4cha n LEU 97 N -0.80 2.54 0.02 1.04 4.77 -1.26 -4.60 117.00 118.71 4cha n LEU 97 Ca 0.11 0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 4cha n LEU 97 Cb 0.05 -0.75 -0.13 0.00 -2.33 0.00 0.00 43.42 40.26 4cha n LEU 97 CO 0.08 0.75 -0.22 0.74 -1.33 0.00 0.00 177.39 177.41 4cha h THR 98 N -0.28 1.25 -0.70 -5.08 2.02 -1.98 -3.48 112.91 104.66 4cha h THR 98 Ca -0.53 -3.02 -0.21 0.00 0.77 0.00 0.00 66.41 63.42 4cha h THR 98 Cb 1.68 2.65 -0.07 0.00 -1.74 0.00 0.00 68.15 70.67 4cha h THR 98 CO -0.17 0.74 -0.21 -0.38 0.37 0.00 0.00 175.52 175.87 4cha n ILE 99 N -3.23 -0.10 -2.86 3.11 2.08 0.97 -5.00 119.36 114.32 4cha n ILE 99 Ca -0.10 0.00 -0.35 0.00 0.56 0.00 0.00 62.75 62.86 4cha n ILE 99 Cb 1.00 -1.34 -0.07 0.00 -0.75 0.00 0.00 39.64 38.49 4cha n ILE 99 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 4cha s ASN 100 N -2.82 7.13 -0.94 4.38 2.47 -1.23 -3.85 114.94 120.09 4cha s ASN 100 Ca 0.00 1.69 -0.03 0.00 0.42 0.00 0.00 52.86 54.94 4cha s ASN 100 Cb 0.00 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 4cha s ASN 100 CO 0.00 -0.16 0.80 0.59 -3.72 0.00 0.00 177.10 174.62 4cha n ASN 101 N 0.13 -3.68 -4.12 -4.21 3.02 -1.26 -1.87 115.26 103.25 4cha n ASN 101 Ca 0.03 -0.42 -0.42 0.00 -0.03 0.00 0.00 54.58 53.73 4cha n ASN 101 Cb 0.52 -3.85 0.00 0.00 -0.61 0.00 0.00 39.78 35.83 4cha n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 4cha n ASP 102 N -2.17 4.37 -3.81 6.41 4.64 -1.25 -4.14 116.55 120.60 4cha n ASP 102 Ca -0.10 -2.88 -0.12 0.00 -1.38 0.00 0.00 54.79 50.31 4cha n ASP 102 Cb 0.58 -1.70 -0.12 0.00 -1.04 0.00 0.00 41.12 38.85 4cha n ASP 102 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 4cha s ILE 103 N 3.63 0.01 -0.02 5.18 2.07 -1.26 -3.68 121.20 127.13 4cha s ILE 103 Ca 0.50 -0.11 -0.02 0.00 -1.41 0.00 0.00 60.65 59.62 4cha s ILE 103 Cb 0.09 -0.31 0.01 0.00 0.13 0.00 0.00 42.46 42.38 4cha s ILE 103 CO -0.01 -0.06 0.05 -0.89 -1.91 0.00 0.00 174.94 172.13 4cha s THR 104 N -0.13 -0.00 -0.06 4.00 2.01 -0.76 -2.06 115.64 118.63 4cha s THR 104 Ca -0.02 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.01 4cha s THR 104 Cb -0.02 -0.09 -0.03 0.00 0.01 0.00 0.00 72.50 72.38 4cha s THR 104 CO 0.01 0.00 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.59 4cha s LEU 105 N 0.06 2.82 -0.15 4.42 2.96 0.20 -0.36 118.68 128.64 4cha s LEU 105 Ca -0.00 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 4cha s LEU 105 Cb -0.01 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 45.10 4cha s LEU 105 CO -0.00 0.32 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.39 4cha s LEU 106 N -0.59 2.17 -0.25 -0.68 1.43 0.54 -0.16 118.68 121.14 4cha s LEU 106 Ca 0.09 -0.59 -0.14 0.00 -1.03 0.00 0.00 54.13 52.46 4cha s LEU 106 Cb -0.11 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 4cha s LEU 106 CO 0.01 0.07 0.32 -0.75 0.23 0.00 0.00 176.35 176.24 4cha s LYS 107 N 0.86 4.06 0.30 1.70 2.20 -0.44 -1.45 119.74 126.97 4cha s LYS 107 Ca -0.06 -0.01 -0.28 0.00 -0.36 0.00 0.00 55.97 55.27 4cha s LYS 107 Cb -0.15 -3.60 -0.09 0.00 -1.51 0.00 0.00 37.83 32.47 4cha s LYS 107 CO -0.03 -0.14 1.02 -0.51 -0.36 0.00 0.00 175.35 175.33 4cha s LEU 108 N 1.65 4.47 0.05 5.43 1.43 0.11 -0.49 118.68 131.33 4cha s LEU 108 Ca 0.14 2.07 -0.23 0.00 -1.03 0.00 0.00 54.13 55.07 4cha s LEU 108 Cb -0.15 -3.79 -0.16 0.00 0.03 0.00 0.00 46.19 42.12 4cha s LEU 108 CO 0.09 -0.11 1.55 -1.28 0.23 0.00 0.00 176.35 176.82 4cha h SER 109 N 3.55 0.06 -3.33 2.29 0.87 -1.04 -3.42 113.55 112.53 4cha h SER 109 Ca -0.47 -0.21 -0.66 0.00 -1.23 0.00 0.00 61.79 59.22 4cha h SER 109 Cb 1.21 -0.02 -0.29 0.00 -0.44 0.00 0.00 62.40 62.86 4cha h SER 109 CO 0.66 0.25 -0.75 -0.89 -0.53 0.00 0.00 176.83 175.57 4cha s THR 110 N -5.36 3.08 0.77 2.23 2.01 -1.26 -4.97 115.64 112.13 4cha s THR 110 Ca -0.14 -0.60 -0.14 0.00 0.31 0.00 0.00 61.69 61.12 4cha s THR 110 Cb 0.05 -2.39 0.06 0.00 0.01 0.00 0.00 72.50 70.23 4cha s THR 110 CO 0.68 0.44 1.18 0.00 -0.69 0.00 0.00 174.62 176.23 4cha s ALA 111 N 1.44 2.01 0.29 7.40 0.00 -1.26 -4.73 121.76 126.91 4cha s ALA 111 Ca 0.06 0.76 -0.28 0.00 0.00 0.00 0.00 51.96 52.50 4cha s ALA 111 Cb -0.14 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.44 4cha s ALA 111 CO -0.05 -2.02 0.94 0.00 0.00 0.00 0.00 175.76 174.63 4cha s ALA 112 N -2.20 3.26 -0.32 0.00 0.00 0.89 -5.01 121.76 118.38 4cha s ALA 112 Ca 0.71 0.56 -0.21 0.00 0.00 0.00 0.00 51.96 53.02 4cha s ALA 112 Cb -0.27 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 4cha s ALA 112 CO 0.48 0.19 0.66 -1.12 0.00 0.00 0.00 175.76 175.97 4cha s SER 113 N -1.45 6.51 0.29 0.00 0.01 -1.26 -4.86 113.70 112.94 4cha s SER 113 Ca 0.47 0.42 -0.28 0.00 1.31 0.00 0.00 55.95 57.86 4cha s SER 113 Cb -0.21 -2.34 -0.09 0.00 0.21 0.00 0.00 66.02 63.58 4cha s SER 113 CO 0.27 -0.53 0.99 -0.36 0.41 0.00 0.00 173.24 174.02 4cha s PHE 114 N 2.69 3.73 0.00 2.43 0.40 -1.26 -4.77 117.98 121.20 4cha s PHE 114 Ca 0.26 1.80 0.00 0.00 -0.60 0.00 0.00 56.93 58.39 4cha s PHE 114 Cb -0.15 -3.04 0.00 0.00 0.51 0.00 0.00 43.02 40.34 4cha s PHE 114 CO 0.13 0.04 0.00 -1.13 0.70 0.00 0.00 175.22 174.96 4cha n SER 115 N 0.96 0.00 -0.22 1.36 3.41 0.43 -4.95 113.62 114.61 4cha n SER 115 Ca 0.00 -0.29 0.04 0.00 -0.26 0.00 0.00 58.87 58.36 4cha n SER 115 Cb 0.48 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.73 4cha n SER 115 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 4cha h GLN 116 N 0.00 0.86 -0.01 4.33 7.50 -1.98 -3.09 115.11 122.71 4cha h GLN 116 Ca 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.10 4cha h GLN 116 Cb 0.00 -0.19 0.00 0.00 0.05 0.00 0.00 27.48 27.34 4cha h GLN 116 CO 0.00 0.57 -0.40 0.25 -1.50 0.00 0.00 178.83 177.75 4cha n THR 117 N -4.47 0.00 -3.90 -0.54 -2.24 -1.26 -4.91 114.28 96.96 4cha n THR 117 Ca 0.11 -0.30 -0.28 0.00 -2.27 0.00 0.00 64.05 61.31 4cha n THR 117 Cb 0.17 1.18 -0.16 0.00 -2.10 0.00 0.00 70.33 69.41 4cha n THR 117 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 4cha s VAL 118 N -2.04 1.12 0.31 2.28 1.01 -1.17 -4.42 120.40 117.51 4cha s VAL 118 Ca 0.13 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 4cha s VAL 118 Cb 0.13 -1.26 0.04 0.00 0.00 0.00 0.00 36.38 35.29 4cha s VAL 118 CO 0.45 0.18 0.78 -0.94 0.00 0.00 0.00 175.10 175.57 4cha s SER 119 N 1.63 -0.13 0.13 3.32 1.04 -0.96 -0.43 113.70 118.30 4cha s SER 119 Ca 0.01 -0.83 0.03 0.00 0.48 0.00 0.00 55.95 55.64 4cha s SER 119 Cb -0.15 0.76 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 4cha s SER 119 CO -0.08 -1.46 0.21 0.00 0.98 0.00 0.00 173.24 172.89 4cha s ALA 120 N -3.12 3.82 0.37 5.32 0.00 -1.26 -2.52 121.76 124.37 4cha s ALA 120 Ca 0.13 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 4cha s ALA 120 Cb -0.05 -1.63 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 4cha s ALA 120 CO 0.09 0.60 0.68 0.54 0.00 0.00 0.00 175.76 177.66 4cha s VAL 121 N -1.67 4.91 0.46 0.00 0.11 -0.67 -4.89 120.40 118.66 4cha s VAL 121 Ca 0.33 0.29 -0.16 0.00 -2.93 0.00 0.00 61.98 59.51 4cha s VAL 121 Cb -0.11 -3.76 -0.08 0.00 -1.53 0.00 0.00 36.38 30.90 4cha s VAL 121 CO 0.26 -0.48 0.92 0.00 -3.33 0.00 0.00 175.10 172.47 4cha s LEU 123 N -3.78 2.83 0.81 0.00 1.43 -1.26 -5.12 118.68 113.59 4cha s LEU 123 Ca 0.58 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 4cha s LEU 123 Cb -0.10 -1.60 0.10 0.00 0.03 0.00 0.00 46.19 44.63 4cha s LEU 123 CO 0.27 0.34 1.16 -2.16 0.23 0.00 0.00 176.35 176.18 4cha s PRO 124 N -0.86 1.74 0.32 1.29 0.04 -1.26 -5.09 135.00 131.18 4cha s PRO 124 Ca 0.12 -0.15 0.06 0.00 0.04 0.00 0.00 61.00 61.07 4cha s PRO 124 Cb -0.11 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 4cha s PRO 124 CO 0.02 -1.66 0.46 -1.54 0.04 0.00 0.00 177.00 174.31 4cha s SER 125 N -4.63 6.04 0.52 6.66 1.04 -1.26 -4.99 113.70 117.08 4cha s SER 125 Ca 0.64 -0.09 0.19 0.00 0.48 0.00 0.00 55.95 57.17 4cha s SER 125 Cb -0.09 -1.39 1.36 0.00 0.10 0.00 0.00 66.02 66.00 4cha s SER 125 CO 0.48 -0.38 2.14 0.00 0.98 0.00 0.00 173.24 176.47 4cha h ALA 126 N 0.91 1.81 -0.00 5.32 0.00 -2.08 -2.77 119.26 122.46 4cha h ALA 126 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 4cha h ALA 126 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 4cha h ALA 126 CO 0.55 0.05 -0.27 -1.13 0.00 0.00 0.00 179.25 178.44 4cha n SER 127 N -4.31 0.49 -4.86 0.00 3.41 -1.26 -4.95 113.62 102.14 4cha n SER 127 Ca -0.03 -0.29 -0.32 0.00 -0.26 0.00 0.00 58.87 57.97 4cha n SER 127 Cb 0.12 0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.07 4cha n SER 127 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 4cha s ASP 128 N -2.79 6.42 -0.15 4.04 -0.00 -1.05 -5.03 116.67 118.11 4cha s ASP 128 Ca 0.18 1.49 0.00 0.00 -0.00 0.00 0.00 52.55 54.23 4cha s ASP 128 Cb 0.19 -2.49 -0.01 0.00 -0.00 0.00 0.00 42.92 40.61 4cha s ASP 128 CO 0.58 -0.73 -0.14 -0.62 -0.00 0.00 0.00 175.17 174.25 4cha s ASP 129 N -3.64 3.78 -0.37 0.27 2.15 -1.26 -4.98 116.67 112.61 4cha s ASP 129 Ca 0.57 -0.42 0.04 0.00 0.43 0.00 0.00 52.55 53.16 4cha s ASP 129 Cb -0.10 -1.58 0.11 0.00 -0.30 0.00 0.00 42.92 41.04 4cha s ASP 129 CO 0.43 0.11 0.10 -0.36 -0.17 0.00 0.00 175.17 175.28 4cha s PHE 130 N 0.66 3.51 0.59 -5.34 0.40 -1.26 -5.09 117.98 111.45 4cha s PHE 130 Ca -0.07 -2.96 -0.18 0.00 -0.60 0.00 0.00 56.93 53.11 4cha s PHE 130 Cb -0.16 -2.82 -0.04 0.00 0.51 0.00 0.00 43.02 40.52 4cha s PHE 130 CO 0.02 -0.90 1.17 0.00 0.70 0.00 0.00 175.22 176.21 4cha s ALA 131 N 0.70 2.57 0.38 5.36 0.00 -1.26 -4.97 121.76 124.54 4cha s ALA 131 Ca 0.12 0.89 -0.28 0.00 0.00 0.00 0.00 51.96 52.69 4cha s ALA 131 Cb -0.20 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.41 4cha s ALA 131 CO -0.07 -1.07 1.45 0.00 0.00 0.00 0.00 175.76 176.07 4cha s ALA 132 N -1.76 3.53 0.00 0.00 0.00 -1.26 -1.91 121.76 120.36 4cha s ALA 132 Ca 0.74 1.51 0.00 0.00 0.00 0.00 0.00 51.96 54.21 4cha s ALA 132 Cb -0.27 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.27 4cha s ALA 132 CO 0.32 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.50 4cha n GLY 133 N 0.53 3.32 3.68 0.00 0.00 -1.26 -5.05 105.19 106.40 4cha n GLY 133 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 4cha n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 4cha n THR 134 N -1.52 1.69 -3.31 2.61 -1.04 -0.80 -4.94 114.28 106.97 4cha n THR 134 Ca 0.00 -0.42 -0.39 0.00 -2.04 0.00 0.00 64.05 61.20 4cha n THR 134 Cb 0.00 -1.50 -0.07 0.00 -1.82 0.00 0.00 70.33 66.93 4cha n THR 134 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 4cha s THR 135 N -0.79 5.14 0.47 12.58 2.01 -1.26 -5.06 115.64 128.73 4cha s THR 135 Ca 0.59 0.80 0.02 0.00 0.31 0.00 0.00 61.69 63.42 4cha s THR 135 Cb -0.60 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.11 4cha s THR 135 CO 0.58 0.19 0.07 0.00 -0.69 0.00 0.00 174.62 174.77 4cha s VAL 137 N -3.03 0.70 0.04 0.00 1.01 -1.26 -5.15 120.40 112.70 4cha s VAL 137 Ca 0.14 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.38 4cha s VAL 137 Cb 0.02 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 4cha s VAL 137 CO 0.09 -0.09 -0.13 0.28 0.00 0.00 0.00 175.10 175.24 4cha s THR 138 N -0.81 1.04 0.14 3.92 -1.32 -1.26 -5.16 115.64 112.21 4cha s THR 138 Ca -0.02 -1.00 0.04 0.00 -1.21 0.00 0.00 61.69 59.49 4cha s THR 138 Cb -0.07 -0.96 -0.04 0.00 -1.51 0.00 0.00 72.50 69.92 4cha s THR 138 CO 0.00 -0.04 -0.08 0.42 -2.21 0.00 0.00 174.62 172.72 4cha s THR 139 N -0.89 1.02 0.00 5.08 -4.23 -1.26 -5.09 115.64 110.27 4cha s THR 139 Ca 0.00 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 4cha s THR 139 Cb -0.08 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 71.89 4cha s THR 139 CO 0.01 -0.72 0.00 0.61 -0.54 0.00 0.00 174.62 173.98 4cha n GLY 140 N -0.18 2.02 1.35 3.99 0.00 -1.26 -4.97 105.19 106.14 4cha n GLY 140 Ca -0.10 -1.17 0.04 0.00 0.00 0.00 0.00 46.02 44.79 4cha n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 4cha n TRP 141 N -1.09 1.50 -1.28 1.61 8.01 -1.26 -4.66 117.44 120.28 4cha n TRP 141 Ca 0.00 -1.00 -0.30 0.00 -1.31 0.00 0.00 57.50 54.89 4cha n TRP 141 Cb 0.00 -0.45 0.13 0.00 -2.01 0.00 0.00 31.31 28.98 4cha n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 4cha s GLY 142 N -1.60 1.61 0.42 6.99 0.00 -1.26 -4.90 107.32 108.58 4cha s GLY 142 Ca 0.48 -0.13 -0.25 0.00 0.00 0.00 0.00 44.72 44.82 4cha s GLY 142 CO 0.10 0.36 1.09 1.04 0.00 0.00 0.00 173.10 175.70 4cha n LEU 143 N -3.82 3.09 0.01 0.66 4.77 -1.26 -2.71 117.00 117.74 4cha n LEU 143 Ca 0.07 1.06 0.11 0.00 -0.03 0.00 0.00 56.01 57.22 4cha n LEU 143 Cb 0.56 -1.40 0.13 0.00 -2.33 0.00 0.00 43.42 40.37 4cha n LEU 143 CO 0.56 -1.22 0.27 0.35 -1.33 0.00 0.00 177.39 176.02 4cha n THR 144 N -0.42 0.03 -3.78 -5.08 -2.24 -1.25 -1.23 114.28 100.32 4cha n THR 144 Ca 0.09 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.70 4cha n THR 144 Cb 0.39 0.42 -0.11 0.00 -2.10 0.00 0.00 70.33 68.94 4cha n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 4cha s ARG 145 N -3.03 0.41 0.00 -0.78 0.52 -1.26 -3.99 118.95 110.82 4cha s ARG 145 Ca 0.09 0.24 0.02 0.00 -0.52 0.00 0.00 55.73 55.56 4cha s ARG 145 Cb 0.17 0.19 0.12 0.00 0.52 0.00 0.00 34.95 35.95 4cha s ARG 145 CO 0.76 -0.07 0.61 0.98 0.02 0.00 0.00 175.30 177.59