#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gha s VAL 17 N 0.00 3.94 -0.54 1.39 1.01 -1.22 -3.43 120.40 121.55 1gha s VAL 17 Ca 0.00 1.35 -0.02 0.00 0.00 0.00 0.00 61.98 63.31 1gha s VAL 17 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1gha s VAL 17 CO 0.00 0.05 0.22 -3.20 0.00 0.00 0.00 175.10 172.17 1gha n ASN 18 N 4.65 -3.17 -1.21 3.32 2.85 -1.26 -5.05 115.26 115.40 1gha n ASN 18 Ca 0.11 -0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1gha n ASN 18 Cb 0.45 -2.07 0.00 0.00 1.24 0.00 0.00 39.78 39.40 1gha n ASN 18 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1gha n GLY 19 N -1.02 2.50 3.38 8.20 0.00 -1.22 -5.14 105.19 111.88 1gha n GLY 19 Ca -0.04 -2.10 -0.19 0.00 0.00 0.00 0.00 46.02 43.69 1gha n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gha s GLU 20 N -0.16 1.50 0.36 1.61 2.02 -1.26 -5.13 118.70 117.65 1gha s GLU 20 Ca 0.00 -1.81 -0.25 0.00 0.02 0.00 0.00 54.97 52.93 1gha s GLU 20 Cb 0.00 -0.64 -0.10 0.00 0.10 0.00 0.00 34.13 33.50 1gha s GLU 20 CO 0.00 -0.19 1.00 -2.00 0.02 0.00 0.00 175.26 174.09 1gha s GLU 21 N -3.92 4.37 0.46 1.61 2.12 -1.26 -5.05 118.70 117.03 1gha s GLU 21 Ca 0.35 1.43 0.01 0.00 0.36 0.00 0.00 54.97 57.11 1gha s GLU 21 Cb 0.08 -2.66 0.00 0.00 0.26 0.00 0.00 34.13 31.81 1gha s GLU 21 CO 0.13 0.06 0.68 0.00 -0.54 0.00 0.00 175.26 175.59 1gha s ALA 22 N -1.65 3.78 -0.05 6.30 0.00 -1.26 -5.06 121.76 123.83 1gha s ALA 22 Ca 0.54 -1.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 1gha s ALA 22 Cb -0.20 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.77 1gha s ALA 22 CO 0.26 -0.41 1.07 0.08 0.00 0.00 0.00 175.76 176.76 1gha s VAL 23 N -2.57 4.60 -0.21 0.00 1.01 -1.26 -4.93 120.40 117.04 1gha s VAL 23 Ca 0.49 1.88 -0.36 0.00 0.00 0.00 0.00 61.98 63.99 1gha s VAL 23 Cb -0.10 -4.20 -0.12 0.00 0.00 0.00 0.00 36.38 31.95 1gha s VAL 23 CO 0.38 0.06 1.93 -2.65 0.00 0.00 0.00 175.10 174.82 1gha n PRO 24 N 4.62 1.64 -0.35 2.72 -0.02 -1.26 -1.30 135.00 141.06 1gha n PRO 24 Ca 0.09 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1gha n PRO 24 Cb 0.48 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1gha n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gha n GLY 25 N 4.91 1.12 0.24 -1.23 0.00 -1.26 -4.94 105.19 104.03 1gha n GLY 25 Ca 0.28 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.40 1gha n GLY 25 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1gha h SER 26 N 0.00 0.00 -2.72 1.61 4.64 -1.55 -3.29 113.55 112.24 1gha h SER 26 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 1gha h SER 26 Cb 0.00 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.68 1gha h SER 26 CO 0.00 0.19 -0.50 0.79 -0.87 0.00 0.00 176.83 176.44 1gha n TRP 27 N -3.66 3.49 0.33 4.77 7.02 -1.26 -4.97 117.44 123.15 1gha n TRP 27 Ca -0.01 -4.19 0.20 0.00 -1.02 0.00 0.00 57.50 52.48 1gha n TRP 27 Cb 0.31 -0.66 1.06 0.00 -2.42 0.00 0.00 31.31 29.60 1gha n TRP 27 CO 0.00 0.00 0.00 -1.35 -2.02 0.00 0.00 177.69 174.32 1gha h PRO 28 N 4.91 0.00 0.00 -0.99 0.11 -1.78 -2.49 132.00 131.77 1gha h PRO 28 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1gha h PRO 28 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1gha h PRO 28 CO 0.80 0.00 -0.89 0.11 -0.21 0.00 0.00 178.00 177.81 1gha h TRP 29 N 0.00 0.00 -2.69 0.65 0.09 -1.83 -2.59 115.95 109.58 1gha h TRP 29 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 58.89 58.46 1gha h TRP 29 Cb 0.25 0.00 0.05 0.00 0.08 0.00 0.00 29.16 29.54 1gha h TRP 29 CO 0.00 0.00 0.99 -1.14 0.09 0.00 0.00 178.44 178.38 1gha s GLN 30 N -3.32 4.16 0.31 0.12 2.00 -0.94 -1.39 119.66 120.59 1gha s GLN 30 Ca 0.01 2.52 0.05 0.00 -2.00 0.00 0.00 55.36 55.94 1gha s GLN 30 Cb 0.10 -3.20 -0.06 0.00 0.80 0.00 0.00 33.01 30.65 1gha s GLN 30 CO 0.77 -0.72 0.02 0.14 -0.50 0.00 0.00 175.29 174.99 1gha s VAL 31 N 1.48 1.35 -0.12 1.34 -7.23 -0.28 -4.47 120.40 112.48 1gha s VAL 31 Ca 0.74 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.89 1gha s VAL 31 Cb -0.47 -2.66 0.02 0.00 0.56 0.00 0.00 36.38 33.83 1gha s VAL 31 CO 0.32 -0.12 -0.15 -0.55 -0.31 0.00 0.00 175.10 174.29 1gha s SER 32 N -3.47 2.49 -0.24 4.85 0.15 -0.26 -2.26 113.70 114.96 1gha s SER 32 Ca 0.33 -0.44 -0.19 0.00 0.70 0.00 0.00 55.95 56.35 1gha s SER 32 Cb 0.07 -1.11 -0.02 0.00 -1.71 0.00 0.00 66.02 63.25 1gha s SER 32 CO 0.14 0.00 0.57 -0.76 1.20 0.00 0.00 173.24 174.39 1gha s LEU 33 N 1.08 4.08 -0.01 3.45 1.43 -0.14 -0.31 118.68 128.26 1gha s LEU 33 Ca -0.04 0.65 0.05 0.00 -1.03 0.00 0.00 54.13 53.76 1gha s LEU 33 Cb -0.14 -2.77 -0.01 0.00 0.03 0.00 0.00 46.19 43.30 1gha s LEU 33 CO -0.03 -0.30 -0.17 -1.10 0.23 0.00 0.00 176.35 174.98 1gha s GLN 34 N 2.22 1.34 0.94 1.70 -0.21 -0.39 -1.48 119.66 123.79 1gha s GLN 34 Ca 0.24 -0.61 -0.14 0.00 0.02 0.00 0.00 55.36 54.88 1gha s GLN 34 Cb -0.16 -1.30 0.16 0.00 1.00 0.00 0.00 33.01 32.72 1gha s GLN 34 CO 0.09 0.36 1.18 0.16 -2.12 0.00 0.00 175.29 174.96 1gha s ASP 35 N -0.43 3.24 0.00 5.90 1.47 -0.74 -1.34 116.67 124.77 1gha s ASP 35 Ca 0.06 0.75 0.07 0.00 1.18 0.00 0.00 52.55 54.61 1gha s ASP 35 Cb -0.06 -1.15 0.43 0.00 -0.34 0.00 0.00 42.92 41.79 1gha s ASP 35 CO -0.01 -2.70 0.83 2.29 0.68 0.00 0.00 175.17 176.27 1gha n LYS 36 N -3.83 0.31 0.06 2.11 2.85 -1.26 -0.49 118.16 117.90 1gha n LYS 36 Ca 0.09 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.47 1gha n LYS 36 Cb 0.60 -1.37 -0.05 0.00 -0.65 0.00 0.00 35.03 33.56 1gha n LYS 36 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1gha n THR 37 N -0.87 0.36 0.00 0.58 -1.04 -1.26 -4.95 114.28 107.10 1gha n THR 37 Ca 0.05 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 1gha n THR 37 Cb 0.02 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 1gha n THR 37 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1gha n GLY 38 N 1.23 0.34 3.63 3.41 0.00 0.36 -5.06 105.19 109.11 1gha n GLY 38 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1gha n GLY 38 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gha s PHE 39 N -2.00 2.48 -0.14 1.61 5.36 -1.25 -4.75 117.98 119.28 1gha s PHE 39 Ca 0.00 0.75 -0.29 0.00 -0.96 0.00 0.00 56.93 56.43 1gha s PHE 39 Cb 0.00 -3.91 -0.04 0.00 -0.34 0.00 0.00 43.02 38.73 1gha s PHE 39 CO 0.00 -2.19 1.62 -1.58 -1.46 0.00 0.00 175.22 171.61 1gha s HIS 40 N 4.61 2.08 -0.02 10.12 5.65 -1.26 -1.79 115.29 134.67 1gha s HIS 40 Ca 0.62 0.42 0.04 0.00 0.25 0.00 0.00 55.06 56.40 1gha s HIS 40 Cb -0.20 -3.91 -0.07 0.00 -1.18 0.00 0.00 32.58 27.22 1gha s HIS 40 CO 0.25 -3.28 0.06 1.97 -0.65 0.00 0.00 174.74 173.09 1gha n PHE 41 N 7.79 0.00 -3.98 3.88 -1.74 -0.55 -5.00 117.46 117.86 1gha n PHE 41 Ca 0.18 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.98 1gha n PHE 41 Cb 0.44 -0.16 -0.06 0.00 1.52 0.00 0.00 39.48 41.22 1gha n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1gha n GLY 43 N -0.36 2.78 3.67 0.00 0.00 -1.26 -0.97 105.19 109.06 1gha n GLY 43 Ca -0.03 -2.26 -0.02 0.00 0.00 0.00 0.00 46.02 43.72 1gha n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gha s GLY 44 N -3.43 -0.33 -0.06 -0.02 0.00 -0.96 -4.66 107.32 97.86 1gha s GLY 44 Ca 0.23 0.49 0.01 0.00 0.00 0.00 0.00 44.72 45.45 1gha s GLY 44 CO 0.15 0.10 -0.08 -0.56 0.00 0.00 0.00 173.10 172.70 1gha s SER 45 N -2.90 1.50 -0.06 1.64 0.01 0.81 -1.13 113.70 113.57 1gha s SER 45 Ca 0.13 -0.22 -0.30 0.00 1.31 0.00 0.00 55.95 56.87 1gha s SER 45 Cb 0.01 -0.66 -0.03 0.00 0.21 0.00 0.00 66.02 65.56 1gha s SER 45 CO -0.01 -0.04 1.19 -0.76 0.41 0.00 0.00 173.24 174.03 1gha s LEU 46 N 1.00 4.27 0.00 2.44 1.43 -0.49 -0.18 118.68 127.15 1gha s LEU 46 Ca -0.09 1.79 0.15 0.00 -1.03 0.00 0.00 54.13 54.95 1gha s LEU 46 Cb -0.15 -3.56 -0.14 0.00 0.03 0.00 0.00 46.19 42.38 1gha s LEU 46 CO -0.00 -0.59 0.65 2.30 0.23 0.00 0.00 176.35 178.95 1gha n ILE 47 N 4.65 0.00 -3.80 -0.59 -5.35 -0.75 -1.59 119.36 111.93 1gha n ILE 47 Ca 0.11 -0.18 0.03 0.00 -0.27 0.00 0.00 62.75 62.44 1gha n ILE 47 Cb 0.46 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 1gha n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1gha s ASN 48 N -2.31 -0.01 0.45 7.28 6.03 -1.24 -4.73 114.94 120.41 1gha s ASN 48 Ca 0.07 -0.07 0.31 0.00 -1.03 0.00 0.00 52.86 52.13 1gha s ASN 48 Cb 0.11 0.07 1.57 0.00 -3.03 0.00 0.00 41.25 39.96 1gha s ASN 48 CO 0.57 -0.13 1.93 1.05 -2.03 0.00 0.00 177.10 178.49 1gha h GLU 49 N 2.00 0.00 -0.00 3.55 9.09 -1.96 -3.13 114.58 124.12 1gha h GLU 49 Ca -0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.14 1gha h GLU 49 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1gha h GLU 49 CO 0.30 0.00 -0.21 0.09 0.05 0.00 0.00 179.01 179.24 1gha n ASN 50 N -2.60 0.77 -4.14 3.06 3.02 -1.26 0.17 115.26 114.27 1gha n ASN 50 Ca -0.01 -0.88 -0.26 0.00 -0.03 0.00 0.00 54.58 53.39 1gha n ASN 50 Cb 0.10 0.66 -0.16 0.00 -0.61 0.00 0.00 39.78 39.77 1gha n ASN 50 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1gha s TRP 51 N -1.30 1.71 0.02 3.10 0.52 -1.19 -0.87 118.94 120.93 1gha s TRP 51 Ca 0.05 -0.48 0.08 0.00 0.02 0.00 0.00 56.10 55.77 1gha s TRP 51 Cb 0.06 -1.15 -0.02 0.00 -1.15 0.00 0.00 33.47 31.20 1gha s TRP 51 CO 0.22 -0.15 -0.25 0.08 0.02 0.00 0.00 176.95 176.87 1gha s VAL 52 N -0.01 1.96 -0.11 4.03 1.01 -0.37 -1.80 120.40 125.10 1gha s VAL 52 Ca -0.03 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 60.76 1gha s VAL 52 Cb -0.11 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1gha s VAL 52 CO 0.02 0.41 -0.18 0.68 0.00 0.00 0.00 175.10 176.03 1gha s VAL 53 N -0.71 2.60 0.33 2.92 -7.23 0.75 -0.38 120.40 118.68 1gha s VAL 53 Ca 0.10 -0.83 -0.00 0.00 -1.81 0.00 0.00 61.98 59.44 1gha s VAL 53 Cb -0.09 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.80 1gha s VAL 53 CO 0.01 0.54 0.43 1.07 -0.31 0.00 0.00 175.10 176.84 1gha n THR 54 N 3.45 0.00 -2.68 5.32 5.66 -0.87 -0.14 114.28 125.02 1gha n THR 54 Ca -0.18 -1.77 -0.41 0.00 -3.05 0.00 0.00 64.05 58.64 1gha n THR 54 Cb 0.53 1.05 -0.05 0.00 -1.55 0.00 0.00 70.33 70.31 1gha n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gha s ALA 55 N -2.80 3.31 0.45 1.79 0.00 -1.26 -1.73 121.76 121.52 1gha s ALA 55 Ca 0.29 0.65 0.19 0.00 0.00 0.00 0.00 51.96 53.09 1gha s ALA 55 Cb -0.01 -3.27 1.19 0.00 0.00 0.00 0.00 23.12 21.04 1gha s ALA 55 CO 0.21 0.01 2.04 0.00 0.00 0.00 0.00 175.76 178.01 1gha h ALA 56 N 4.92 1.57 0.00 0.00 0.00 -1.75 -2.69 119.26 121.31 1gha h ALA 56 Ca -0.44 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1gha h ALA 56 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1gha h ALA 56 CO 0.70 0.19 0.00 -2.39 0.00 0.00 0.00 179.25 177.75 1gha n HIS 57 N -4.09 0.49 0.30 0.00 1.44 -1.26 -2.62 115.22 109.47 1gha n HIS 57 Ca -0.02 0.18 0.17 0.00 -2.01 0.00 0.00 57.72 56.04 1gha n HIS 57 Cb 0.23 -0.79 0.95 0.00 0.12 0.00 0.00 29.99 30.49 1gha n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1gha n GLY 59 N -0.98 -0.36 3.77 0.00 0.00 -1.08 -4.95 105.19 101.58 1gha n GLY 59 Ca -0.02 0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1gha n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gha s VAL 60 N -3.33 2.96 0.42 1.61 1.01 -1.26 -5.05 120.40 116.76 1gha s VAL 60 Ca 0.18 0.95 0.05 0.00 0.00 0.00 0.00 61.98 63.17 1gha s VAL 60 Cb -0.08 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 1gha s VAL 60 CO 0.69 0.21 0.02 0.42 0.00 0.00 0.00 175.10 176.44 1gha s THR 61 N -1.18 1.70 -0.82 3.92 -4.23 -1.26 -4.95 115.64 108.82 1gha s THR 61 Ca 0.49 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.24 1gha s THR 61 Cb -0.37 -2.79 0.23 0.00 1.34 0.00 0.00 72.50 70.91 1gha s THR 61 CO 0.48 0.00 1.73 0.35 -0.54 0.00 0.00 174.62 176.65 1gha n THR 62 N -1.00 0.57 0.80 3.99 -2.24 -1.26 -2.85 114.28 112.29 1gha n THR 62 Ca -0.08 0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.86 1gha n THR 62 Cb 0.67 -0.78 0.51 0.00 -2.10 0.00 0.00 70.33 68.63 1gha n THR 62 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1gha n SER 63 N -1.85 0.11 -4.29 3.42 7.64 -1.26 -4.52 113.62 112.86 1gha n SER 63 Ca 0.05 0.51 -0.27 0.00 1.01 0.00 0.00 58.87 60.17 1gha n SER 63 Cb 0.30 -0.54 0.16 0.00 -1.01 0.00 0.00 64.21 63.12 1gha n SER 63 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1gha s ASP 64 N -3.20 3.49 0.01 6.43 1.01 -1.13 -4.32 116.67 118.95 1gha s ASP 64 Ca 0.11 -0.14 -0.01 0.00 0.71 0.00 0.00 52.55 53.22 1gha s ASP 64 Cb 0.15 0.03 -0.01 0.00 1.01 0.00 0.00 42.92 44.10 1gha s ASP 64 CO 0.46 -2.46 0.01 0.54 0.21 0.00 0.00 175.17 173.93 1gha s VAL 65 N -3.59 0.06 -0.23 -1.27 0.11 -0.45 -4.26 120.40 110.78 1gha s VAL 65 Ca 0.72 -0.51 -0.09 0.00 -2.93 0.00 0.00 61.98 59.17 1gha s VAL 65 Cb -0.03 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.58 1gha s VAL 65 CO 0.50 -0.28 0.12 -0.69 -3.33 0.00 0.00 175.10 171.41 1gha s VAL 66 N -0.84 4.99 -0.22 2.04 1.01 0.02 -1.26 120.40 126.13 1gha s VAL 66 Ca -0.09 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 1gha s VAL 66 Cb -0.06 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 1gha s VAL 66 CO -0.00 0.37 0.02 -0.69 0.00 0.00 0.00 175.10 174.80 1gha s VAL 67 N 0.99 4.00 0.13 2.92 1.01 0.57 0.57 120.40 130.59 1gha s VAL 67 Ca 0.06 -0.29 0.10 0.00 0.00 0.00 0.00 61.98 61.85 1gha s VAL 67 Cb -0.14 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1gha s VAL 67 CO 0.03 0.40 -0.21 0.00 0.00 0.00 0.00 175.10 175.32 1gha s ALA 68 N 1.27 2.57 -0.48 5.51 0.00 -0.42 -1.10 121.76 129.10 1gha s ALA 68 Ca 0.04 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1gha s ALA 68 Cb -0.15 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1gha s ALA 68 CO 0.02 0.57 0.00 0.41 0.00 0.00 0.00 175.76 176.75 1gha n GLY 69 N 0.81 0.41 3.82 0.00 0.00 -1.26 -0.06 105.19 108.91 1gha n GLY 69 Ca -0.16 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 1gha n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gha s GLU 70 N -3.50 3.20 0.00 1.61 2.12 -1.26 -4.45 118.70 116.41 1gha s GLU 70 Ca 0.00 -0.40 0.00 0.00 0.36 0.00 0.00 54.97 54.93 1gha s GLU 70 Cb 0.00 -2.95 0.00 0.00 0.26 0.00 0.00 34.13 31.44 1gha s GLU 70 CO 0.00 0.67 0.00 0.34 -0.54 0.00 0.00 175.26 175.73 1gha n PHE 71 N 1.24 0.00 -3.96 5.30 7.35 -1.26 -4.87 117.46 121.26 1gha n PHE 71 Ca -0.13 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.23 1gha n PHE 71 Cb 0.53 0.15 -0.14 0.00 0.35 0.00 0.00 39.48 40.37 1gha n PHE 71 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1gha s ASP 72 N -4.59 4.84 0.39 -2.13 2.15 -1.26 -4.96 116.67 111.12 1gha s ASP 72 Ca 0.00 -1.88 0.22 0.00 0.43 0.00 0.00 52.55 51.31 1gha s ASP 72 Cb 0.00 -1.67 1.19 0.00 -0.30 0.00 0.00 42.92 42.13 1gha s ASP 72 CO 0.00 -0.37 1.63 1.56 -0.17 0.00 0.00 175.17 177.82 1gha h GLN 73 N 7.79 0.00 -0.02 4.34 4.20 -2.02 -2.09 115.11 127.31 1gha h GLN 73 Ca -0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1gha h GLN 73 Cb 1.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.82 1gha h GLN 73 CO 0.55 0.00 -0.32 0.41 -0.67 0.00 0.00 178.83 178.81 1gha n GLY 74 N -1.26 0.34 3.83 3.46 0.00 -1.26 -4.98 105.19 105.32 1gha n GLY 74 Ca -0.01 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 1gha n GLY 74 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gha s SER 75 N -2.32 6.91 -0.05 1.61 0.15 -0.79 -5.00 113.70 114.21 1gha s SER 75 Ca 0.22 1.41 0.15 0.00 0.70 0.00 0.00 55.95 58.42 1gha s SER 75 Cb 0.19 -2.42 -0.22 0.00 -1.71 0.00 0.00 66.02 61.86 1gha s SER 75 CO 0.48 -0.16 0.26 -0.24 1.20 0.00 0.00 173.24 174.78 1gha n SER 76 N -0.05 1.54 -0.63 5.45 2.88 -1.26 -4.50 113.62 117.04 1gha n SER 76 Ca 0.02 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.60 1gha n SER 76 Cb 0.52 1.47 0.12 0.00 -0.75 0.00 0.00 64.21 65.58 1gha n SER 76 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1gha n SER 77 N -2.16 1.76 -4.67 -3.46 3.41 -1.26 -4.86 113.62 102.39 1gha n SER 77 Ca -0.08 -2.10 -0.41 0.00 -0.26 0.00 0.00 58.87 56.02 1gha n SER 77 Cb 0.54 -0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 64.14 1gha n SER 77 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1gha s GLU 78 N -1.64 4.25 -1.48 4.33 2.02 -1.26 -4.95 118.70 119.97 1gha s GLU 78 Ca 0.17 0.80 -0.12 0.00 0.02 0.00 0.00 54.97 55.84 1gha s GLU 78 Cb 0.11 -3.57 -0.04 0.00 0.10 0.00 0.00 34.13 30.72 1gha s GLU 78 CO 0.09 -0.27 2.60 1.17 0.02 0.00 0.00 175.26 178.87 1gha n LYS 79 N 5.11 3.19 -1.88 1.61 4.81 -1.26 -4.94 118.16 124.80 1gha n LYS 79 Ca 0.01 -2.27 -0.29 0.00 -0.87 0.00 0.00 58.31 54.89 1gha n LYS 79 Cb 0.49 -2.95 0.09 0.00 0.02 0.00 0.00 35.03 32.68 1gha n LYS 79 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1gha s ILE 80 N 2.75 2.00 -0.27 3.15 -4.36 -1.26 -4.94 121.20 118.27 1gha s ILE 80 Ca 0.59 0.00 0.03 0.00 -0.26 0.00 0.00 60.65 61.01 1gha s ILE 80 Cb 0.16 -2.98 0.07 0.00 1.25 0.00 0.00 42.46 40.95 1gha s ILE 80 CO -0.06 0.00 -0.06 -1.10 0.24 0.00 0.00 174.94 173.96 1gha s GLN 81 N -5.57 1.91 -0.55 0.37 -0.21 0.91 -4.97 119.66 111.57 1gha s GLN 81 Ca 0.62 -1.35 -0.25 0.00 0.02 0.00 0.00 55.36 54.40 1gha s GLN 81 Cb -0.11 -2.85 0.04 0.00 1.00 0.00 0.00 33.01 31.09 1gha s GLN 81 CO 0.49 -0.66 0.96 0.15 -2.12 0.00 0.00 175.29 174.12 1gha s LYS 82 N 1.15 3.36 -0.17 2.91 1.02 -1.26 -1.31 119.74 125.44 1gha s LYS 82 Ca -0.04 -0.19 -0.07 0.00 0.02 0.00 0.00 55.97 55.69 1gha s LYS 82 Cb -0.19 -4.04 -0.04 0.00 -0.52 0.00 0.00 37.83 33.04 1gha s LYS 82 CO -0.06 -1.49 0.05 -0.51 -0.92 0.00 0.00 175.35 172.42 1gha s LEU 83 N 4.02 3.73 0.10 3.17 1.43 0.19 -4.94 118.68 126.38 1gha s LEU 83 Ca 0.32 0.06 -0.27 0.00 -1.03 0.00 0.00 54.13 53.20 1gha s LEU 83 Cb -0.12 -1.93 -0.06 0.00 0.03 0.00 0.00 46.19 44.11 1gha s LEU 83 CO 0.20 0.18 0.86 -0.54 0.23 0.00 0.00 176.35 177.29 1gha s LYS 84 N 0.31 4.62 -0.28 1.70 1.02 -1.26 -0.80 119.74 125.04 1gha s LYS 84 Ca 0.02 1.27 -0.24 0.00 0.02 0.00 0.00 55.97 57.04 1gha s LYS 84 Cb -0.13 -3.35 -0.00 0.00 -0.52 0.00 0.00 37.83 33.83 1gha s LYS 84 CO 0.01 0.30 0.83 0.42 -0.92 0.00 0.00 175.35 175.98 1gha s ILE 85 N -0.22 4.79 -0.10 2.17 1.01 -1.26 -1.06 121.20 126.53 1gha s ILE 85 Ca 0.42 1.38 -0.11 0.00 0.00 0.00 0.00 60.65 62.34 1gha s ILE 85 Cb -0.22 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 38.00 1gha s ILE 85 CO 0.27 -0.20 0.33 0.00 0.00 0.00 0.00 174.94 175.34 1gha h ALA 86 N 7.94 -0.06 -3.76 9.38 0.00 0.05 -3.44 119.26 129.38 1gha h ALA 86 Ca -0.23 -0.16 -0.28 0.00 0.00 0.00 0.00 54.91 54.24 1gha h ALA 86 Cb 1.09 0.02 -0.29 0.00 0.00 0.00 0.00 17.79 18.61 1gha h ALA 86 CO 0.89 -0.06 -0.73 0.15 0.00 0.00 0.00 179.25 179.49 1gha s LYS 87 N -2.02 0.17 -0.24 0.00 1.02 -0.71 -4.91 119.74 113.05 1gha s LYS 87 Ca -0.07 -0.05 -0.15 0.00 0.02 0.00 0.00 55.97 55.73 1gha s LYS 87 Cb -0.01 -0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 37.07 1gha s LYS 87 CO 0.24 0.02 0.36 0.08 -0.92 0.00 0.00 175.35 175.13 1gha s VAL 88 N 0.10 5.21 -0.57 3.17 1.01 -1.26 -0.56 120.40 127.50 1gha s VAL 88 Ca -0.01 0.58 -0.03 0.00 0.00 0.00 0.00 61.98 62.52 1gha s VAL 88 Cb -0.03 -3.69 0.15 0.00 0.00 0.00 0.00 36.38 32.81 1gha s VAL 88 CO -0.00 0.22 0.38 -0.36 0.00 0.00 0.00 175.10 175.33 1gha s PHE 89 N 1.62 3.46 -0.12 5.22 0.40 0.13 -4.98 117.98 123.70 1gha s PHE 89 Ca 0.16 -2.61 -0.29 0.00 -0.60 0.00 0.00 56.93 53.59 1gha s PHE 89 Cb -0.15 -3.22 -0.01 0.00 0.51 0.00 0.00 43.02 40.15 1gha s PHE 89 CO 0.08 -0.88 0.96 0.21 0.70 0.00 0.00 175.22 176.30 1gha s LYS 90 N 0.29 4.40 -0.04 0.44 2.20 -1.26 -0.16 119.74 125.60 1gha s LYS 90 Ca 0.14 1.30 -0.32 0.00 -0.36 0.00 0.00 55.97 56.73 1gha s LYS 90 Cb -0.21 -3.55 -0.10 0.00 -1.51 0.00 0.00 37.83 32.46 1gha s LYS 90 CO -0.04 -0.31 1.93 -1.71 -0.36 0.00 0.00 175.35 174.87 1gha n ASN 91 N 5.03 3.75 0.23 1.43 5.15 -0.81 -4.86 115.26 125.19 1gha n ASN 91 Ca 0.08 0.93 0.18 0.00 -0.60 0.00 0.00 54.58 55.16 1gha n ASN 91 Cb 0.49 -1.44 0.86 0.00 -0.53 0.00 0.00 39.78 39.16 1gha n ASN 91 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1gha h SER 92 N 9.93 0.00 1.55 1.20 4.64 -1.93 0.16 113.55 129.09 1gha h SER 92 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1gha h SER 92 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1gha h SER 92 CO 0.95 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 177.02 1gha h LYS 93 N 0.00 0.00 -6.13 4.77 1.79 -1.90 -3.46 116.57 111.65 1gha h LYS 93 Ca 0.08 0.00 -0.76 0.00 -2.18 0.00 0.00 60.65 57.79 1gha h LYS 93 Cb 0.59 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.26 1gha h LYS 93 CO -0.00 0.00 0.76 0.98 -1.08 0.00 0.00 179.45 180.11 1gha n TYR 94 N -2.88 1.86 -3.87 -1.35 9.36 0.55 -4.77 117.16 116.06 1gha n TYR 94 Ca 0.03 0.68 -0.35 0.00 3.32 0.00 0.00 57.90 61.59 1gha n TYR 94 Cb 0.43 -2.38 -0.13 0.00 -0.63 0.00 0.00 39.34 36.63 1gha n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1gha s ASN 95 N 2.85 5.03 0.56 2.98 3.84 -0.76 -4.97 114.94 124.47 1gha s ASN 95 Ca 0.97 -1.83 0.29 0.00 0.21 0.00 0.00 52.86 52.50 1gha s ASN 95 Cb -1.14 -1.75 1.64 0.00 -0.55 0.00 0.00 41.25 39.46 1gha s ASN 95 CO 0.65 -0.42 2.17 -1.28 -2.79 0.00 0.00 177.10 175.43 1gha h SER 96 N 7.94 0.00 0.95 -4.21 0.87 -1.91 1.03 113.55 118.22 1gha h SER 96 Ca -0.14 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.21 1gha h SER 96 Cb 1.05 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.97 1gha h SER 96 CO 0.61 0.06 -1.08 -0.07 -0.53 0.00 0.00 176.83 175.82 1gha h LEU 97 N 0.00 0.00 0.00 2.23 4.07 -1.97 -3.34 115.31 116.30 1gha h LEU 97 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1gha h LEU 97 Cb 0.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.90 1gha h LEU 97 CO 0.01 0.95 -1.12 0.35 -1.08 0.00 0.00 178.44 177.55 1gha n THR 98 N -3.28 0.00 -2.18 0.22 -2.24 -0.97 -4.98 114.28 100.85 1gha n THR 98 Ca -0.03 -0.24 -0.17 0.00 -2.27 0.00 0.00 64.05 61.35 1gha n THR 98 Cb 0.94 0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 69.78 1gha n THR 98 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1gha n ILE 99 N -1.64 -0.66 -3.41 2.28 5.41 0.35 -5.00 119.36 116.69 1gha n ILE 99 Ca 0.00 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.43 1gha n ILE 99 Cb 0.30 -2.35 -0.05 0.00 -0.71 0.00 0.00 39.64 36.82 1gha n ILE 99 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1gha s ASN 100 N -2.34 6.64 -1.20 4.38 3.04 -1.02 -4.17 114.94 120.26 1gha s ASN 100 Ca 0.00 0.93 -0.00 0.00 0.04 0.00 0.00 52.86 53.83 1gha s ASN 100 Cb 0.00 -2.23 -0.00 0.00 -1.54 0.00 0.00 41.25 37.48 1gha s ASN 100 CO 0.00 -0.07 0.97 0.59 -3.04 0.00 0.00 177.10 175.55 1gha n ASN 101 N -0.10 -2.15 -4.15 -4.21 3.02 -1.26 -1.84 115.26 104.57 1gha n ASN 101 Ca 0.00 -0.64 -0.43 0.00 -0.03 0.00 0.00 54.58 53.48 1gha n ASN 101 Cb 0.52 -5.04 0.00 0.00 -0.61 0.00 0.00 39.78 34.66 1gha n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1gha n ASP 102 N -3.13 4.54 -3.79 6.41 2.03 -1.26 -4.03 116.55 117.32 1gha n ASP 102 Ca -0.28 -2.91 -0.13 0.00 0.52 0.00 0.00 54.79 51.99 1gha n ASP 102 Cb 0.67 -1.67 -0.12 0.00 -0.72 0.00 0.00 41.12 39.28 1gha n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1gha s ILE 103 N 3.21 -0.00 -0.02 5.18 2.07 -1.26 -3.57 121.20 126.81 1gha s ILE 103 Ca 0.49 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.70 1gha s ILE 103 Cb 0.08 -0.35 0.00 0.00 0.13 0.00 0.00 42.46 42.33 1gha s ILE 103 CO -0.00 0.00 0.08 0.42 -1.91 0.00 0.00 174.94 173.52 1gha s THR 104 N 0.13 0.04 -0.03 4.00 -4.23 -0.71 -1.92 115.64 112.92 1gha s THR 104 Ca -0.00 -0.30 -0.02 0.00 -1.18 0.00 0.00 61.69 60.19 1gha s THR 104 Cb -0.02 -0.21 -0.04 0.00 1.34 0.00 0.00 72.50 73.57 1gha s THR 104 CO 0.00 -0.16 0.10 -0.76 -0.54 0.00 0.00 174.62 173.26 1gha s LEU 105 N -0.50 4.02 -0.19 4.79 1.43 0.77 -2.05 118.68 126.95 1gha s LEU 105 Ca -0.06 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1gha s LEU 105 Cb -0.04 -2.25 0.03 0.00 0.03 0.00 0.00 46.19 43.96 1gha s LEU 105 CO 0.00 0.30 -0.18 -0.76 0.23 0.00 0.00 176.35 175.95 1gha s LEU 106 N -1.57 2.35 -0.36 1.79 1.43 0.48 0.18 118.68 122.99 1gha s LEU 106 Ca 0.21 -0.78 -0.22 0.00 -1.03 0.00 0.00 54.13 52.31 1gha s LEU 106 Cb -0.12 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.63 1gha s LEU 106 CO 0.12 -0.04 0.72 -0.75 0.23 0.00 0.00 176.35 176.63 1gha s LYS 107 N 1.27 3.74 0.19 1.70 2.47 0.27 -1.24 119.74 128.14 1gha s LYS 107 Ca 0.02 0.22 -0.30 0.00 -1.56 0.00 0.00 55.97 54.36 1gha s LYS 107 Cb -0.14 -3.80 -0.08 0.00 -1.46 0.00 0.00 37.83 32.35 1gha s LYS 107 CO -0.11 -0.79 1.03 -0.51 0.16 0.00 0.00 175.35 175.13 1gha s LEU 108 N 2.92 4.54 0.08 5.43 1.43 -0.05 0.73 118.68 133.75 1gha s LEU 108 Ca 0.28 2.02 -0.08 0.00 -1.03 0.00 0.00 54.13 55.32 1gha s LEU 108 Cb -0.14 -3.61 -0.26 0.00 0.03 0.00 0.00 46.19 42.22 1gha s LEU 108 CO 0.16 -0.08 1.14 0.77 0.23 0.00 0.00 176.35 178.57 1gha h SER 109 N 4.78 0.59 -3.70 2.29 4.64 -1.38 -3.42 113.55 117.37 1gha h SER 109 Ca -0.44 -0.59 -0.69 0.00 -0.47 0.00 0.00 61.79 59.60 1gha h SER 109 Cb 1.21 -0.19 -0.30 0.00 -0.31 0.00 0.00 62.40 62.81 1gha h SER 109 CO 0.70 1.43 -0.65 0.28 -0.87 0.00 0.00 176.83 177.72 1gha s THR 110 N -2.82 3.44 0.30 2.95 -1.32 -1.24 -5.00 115.64 111.95 1gha s THR 110 Ca -0.06 -1.18 -0.30 0.00 -1.21 0.00 0.00 61.69 58.94 1gha s THR 110 Cb 0.07 -2.93 -0.11 0.00 -1.51 0.00 0.00 72.50 68.02 1gha s THR 110 CO 0.90 -0.11 1.52 0.00 -2.21 0.00 0.00 174.62 174.72 1gha s ALA 111 N 1.35 3.67 0.95 11.08 0.00 -1.26 -4.67 121.76 132.87 1gha s ALA 111 Ca -0.03 1.49 -0.10 0.00 0.00 0.00 0.00 51.96 53.32 1gha s ALA 111 Cb -0.19 -3.61 0.16 0.00 0.00 0.00 0.00 23.12 19.47 1gha s ALA 111 CO 0.01 -0.92 1.09 0.00 0.00 0.00 0.00 175.76 175.94 1gha n ALA 112 N 1.85 -1.12 -3.57 0.00 0.00 0.13 -4.99 120.51 112.80 1gha n ALA 112 Ca 0.06 -0.62 -0.36 0.00 0.00 0.00 0.00 53.44 52.52 1gha n ALA 112 Cb 0.39 -2.16 -0.13 0.00 0.00 0.00 0.00 19.45 17.55 1gha n ALA 112 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1gha s SER 113 N -2.58 5.12 0.36 0.00 0.15 -1.26 -4.85 113.70 110.64 1gha s SER 113 Ca 0.67 -1.45 -0.27 0.00 0.70 0.00 0.00 55.95 55.59 1gha s SER 113 Cb -0.23 -1.79 -0.09 0.00 -1.71 0.00 0.00 66.02 62.19 1gha s SER 113 CO 0.59 -0.36 1.24 -0.36 1.20 0.00 0.00 173.24 175.55 1gha s PHE 114 N 1.27 3.07 0.00 3.44 0.08 -1.26 -4.73 117.98 119.84 1gha s PHE 114 Ca -0.00 1.49 0.00 0.00 0.12 0.00 0.00 56.93 58.53 1gha s PHE 114 Cb -0.21 -3.55 0.00 0.00 -0.57 0.00 0.00 43.02 38.69 1gha s PHE 114 CO -0.01 -1.59 0.00 -1.13 -0.10 0.00 0.00 175.22 172.39 1gha n SER 115 N 0.52 0.00 0.22 1.36 3.41 0.26 -4.92 113.62 114.47 1gha n SER 115 Ca 0.02 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.78 1gha n SER 115 Cb 0.44 0.00 0.59 0.00 -0.26 0.00 0.00 64.21 64.97 1gha n SER 115 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1gha h GLN 116 N 0.00 0.00 -0.02 4.33 5.75 -1.99 -3.12 115.11 120.07 1gha h GLN 116 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1gha h GLN 116 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1gha h GLN 116 CO 0.00 0.00 0.00 0.25 -2.65 0.00 0.00 178.83 176.43 1gha n THR 117 N -2.80 0.41 -3.64 2.39 -2.24 -1.26 -4.92 114.28 102.22 1gha n THR 117 Ca 0.01 -0.71 -0.25 0.00 -2.27 0.00 0.00 64.05 60.84 1gha n THR 117 Cb 0.30 0.81 -0.17 0.00 -2.10 0.00 0.00 70.33 69.17 1gha n THR 117 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1gha s VAL 118 N -0.47 -0.01 0.37 2.28 1.01 -1.18 -4.29 120.40 118.10 1gha s VAL 118 Ca 0.02 -0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 1gha s VAL 118 Cb 0.01 -0.54 0.04 0.00 0.00 0.00 0.00 36.38 35.89 1gha s VAL 118 CO 0.02 -0.16 0.70 -0.94 0.00 0.00 0.00 175.10 174.71 1gha s SER 119 N 2.11 0.23 0.12 3.32 1.04 -0.97 -0.58 113.70 118.97 1gha s SER 119 Ca 0.02 -1.20 -0.07 0.00 0.48 0.00 0.00 55.95 55.18 1gha s SER 119 Cb -0.15 0.79 -0.06 0.00 0.10 0.00 0.00 66.02 66.70 1gha s SER 119 CO -0.08 -1.56 0.40 0.00 0.98 0.00 0.00 173.24 172.98 1gha s ALA 120 N -2.63 3.75 0.28 5.32 0.00 -1.26 -3.16 121.76 124.05 1gha s ALA 120 Ca 0.19 -0.46 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 1gha s ALA 120 Cb -0.04 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.82 1gha s ALA 120 CO 0.13 0.61 0.53 0.54 0.00 0.00 0.00 175.76 177.58 1gha s VAL 121 N -1.55 5.04 0.48 0.00 0.11 -0.62 -4.90 120.40 118.96 1gha s VAL 121 Ca 0.38 0.02 -0.13 0.00 -2.93 0.00 0.00 61.98 59.32 1gha s VAL 121 Cb -0.13 -3.73 -0.07 0.00 -1.53 0.00 0.00 36.38 30.93 1gha s VAL 121 CO 0.21 -0.29 0.90 0.00 -3.33 0.00 0.00 175.10 172.59 1gha s LEU 123 N -4.11 3.18 0.83 0.00 1.43 -1.26 -5.13 118.68 113.62 1gha s LEU 123 Ca 0.55 -0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.42 1gha s LEU 123 Cb -0.10 -1.79 0.11 0.00 0.03 0.00 0.00 46.19 44.44 1gha s LEU 123 CO 0.34 0.30 1.19 -2.16 0.23 0.00 0.00 176.35 176.25 1gha s PRO 124 N -1.28 1.65 0.45 1.29 0.04 -1.26 -5.07 135.00 130.82 1gha s PRO 124 Ca 0.16 -0.09 -0.18 0.00 0.04 0.00 0.00 61.00 60.93 1gha s PRO 124 Cb -0.11 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 1gha s PRO 124 CO 0.06 -1.76 0.93 -1.12 0.04 0.00 0.00 177.00 175.15 1gha s SER 125 N -4.66 6.78 0.58 6.66 0.01 -1.26 -4.90 113.70 116.91 1gha s SER 125 Ca 0.65 1.58 0.27 0.00 1.31 0.00 0.00 55.95 59.76 1gha s SER 125 Cb -0.09 -2.50 1.60 0.00 0.21 0.00 0.00 66.02 65.24 1gha s SER 125 CO 0.49 -0.43 2.11 0.00 0.41 0.00 0.00 173.24 175.82 1gha h ALA 126 N 1.54 1.88 -0.05 1.44 0.00 -2.07 -0.02 119.26 121.98 1gha h ALA 126 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1gha h ALA 126 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1gha h ALA 126 CO 0.62 -0.28 0.00 -1.13 0.00 0.00 0.00 179.25 178.45 1gha n SER 127 N -3.95 1.57 -4.75 0.00 3.41 -1.26 -4.96 113.62 103.68 1gha n SER 127 Ca 0.02 -1.55 -0.37 0.00 -0.26 0.00 0.00 58.87 56.71 1gha n SER 127 Cb 0.31 -0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.27 1gha n SER 127 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1gha s ASP 128 N -1.91 5.37 -0.11 4.04 1.01 -0.02 -5.01 116.67 120.03 1gha s ASP 128 Ca 0.37 2.51 0.01 0.00 0.71 0.00 0.00 52.55 56.15 1gha s ASP 128 Cb 0.20 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.50 1gha s ASP 128 CO 0.32 -1.48 -0.14 -0.62 0.21 0.00 0.00 175.17 173.46 1gha s ASP 129 N -1.33 3.99 -0.41 0.27 2.15 -1.26 -4.96 116.67 115.12 1gha s ASP 129 Ca 0.73 -0.30 0.01 0.00 0.43 0.00 0.00 52.55 53.43 1gha s ASP 129 Cb -0.34 -1.41 0.13 0.00 -0.30 0.00 0.00 42.92 41.00 1gha s ASP 129 CO 0.38 0.21 0.22 -0.36 -0.17 0.00 0.00 175.17 175.45 1gha s PHE 130 N 0.08 1.72 0.53 -5.34 0.08 -1.26 -5.12 117.98 108.68 1gha s PHE 130 Ca -0.06 -2.21 -0.22 0.00 0.12 0.00 0.00 56.93 54.56 1gha s PHE 130 Cb -0.15 -1.69 -0.05 0.00 -0.57 0.00 0.00 43.02 40.56 1gha s PHE 130 CO 0.05 -0.80 1.37 0.00 -0.10 0.00 0.00 175.22 175.74 1gha s ALA 131 N 0.62 2.88 0.33 5.36 0.00 -1.26 -4.98 121.76 124.71 1gha s ALA 131 Ca 0.17 1.36 -0.29 0.00 0.00 0.00 0.00 51.96 53.21 1gha s ALA 131 Cb -0.24 -3.58 -0.10 0.00 0.00 0.00 0.00 23.12 19.20 1gha s ALA 131 CO -0.02 -1.36 1.37 0.00 0.00 0.00 0.00 175.76 175.75 1gha s ALA 132 N -1.28 3.53 0.00 0.00 0.00 -1.26 -2.34 121.76 120.41 1gha s ALA 132 Ca 0.70 1.35 0.00 0.00 0.00 0.00 0.00 51.96 54.01 1gha s ALA 132 Cb -0.41 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1gha s ALA 132 CO 0.49 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1gha n GLY 133 N 0.91 2.37 3.68 0.00 0.00 -1.26 -5.05 105.19 105.84 1gha n GLY 133 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1gha n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gha s THR 134 N -2.32 3.36 0.00 2.61 2.01 -0.99 -4.96 115.64 115.36 1gha s THR 134 Ca 0.00 0.72 -0.29 0.00 0.31 0.00 0.00 61.69 62.43 1gha s THR 134 Cb 0.00 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1gha s THR 134 CO 0.00 -0.02 0.95 -0.89 -0.69 0.00 0.00 174.62 173.97 1gha s THR 135 N 2.86 4.86 0.44 -0.82 2.01 -1.26 -5.03 115.64 118.69 1gha s THR 135 Ca 0.71 1.99 0.04 0.00 0.31 0.00 0.00 61.69 64.73 1gha s THR 135 Cb -0.36 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 67.85 1gha s THR 135 CO 0.30 0.19 0.13 0.00 -0.69 0.00 0.00 174.62 174.54 1gha s VAL 137 N -3.14 1.38 0.05 0.00 1.01 -1.26 -5.14 120.40 113.30 1gha s VAL 137 Ca 0.20 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.53 1gha s VAL 137 Cb 0.01 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1gha s VAL 137 CO 0.13 0.39 -0.22 0.28 0.00 0.00 0.00 175.10 175.69 1gha s THR 138 N -0.24 1.75 0.33 3.92 -1.32 -1.26 -5.15 115.64 113.67 1gha s THR 138 Ca 0.03 -1.28 0.03 0.00 -1.21 0.00 0.00 61.69 59.26 1gha s THR 138 Cb -0.08 -1.53 -0.05 0.00 -1.51 0.00 0.00 72.50 69.33 1gha s THR 138 CO 0.00 0.20 0.10 0.42 -2.21 0.00 0.00 174.62 173.13 1gha s THR 139 N -0.85 0.78 0.00 5.08 -4.23 -1.26 -5.10 115.64 110.07 1gha s THR 139 Ca 0.08 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1gha s THR 139 Cb -0.09 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1gha s THR 139 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1gha n GLY 140 N -0.67 1.53 1.10 3.99 0.00 -1.26 -4.93 105.19 104.95 1gha n GLY 140 Ca -0.02 -1.49 0.07 0.00 0.00 0.00 0.00 46.02 44.58 1gha n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1gha n TRP 141 N -1.47 1.19 -0.99 1.61 8.01 -1.26 -4.71 117.44 119.81 1gha n TRP 141 Ca 0.00 -0.91 -0.29 0.00 -1.31 0.00 0.00 57.50 54.99 1gha n TRP 141 Cb 0.00 -0.37 0.17 0.00 -2.01 0.00 0.00 31.31 29.10 1gha n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1gha s GLY 142 N -1.76 1.60 0.14 6.99 0.00 -1.26 -4.89 107.32 108.14 1gha s GLY 142 Ca 0.45 -0.04 -0.34 0.00 0.00 0.00 0.00 44.72 44.78 1gha s GLY 142 CO 0.10 0.51 1.27 1.04 0.00 0.00 0.00 173.10 176.02 1gha n LEU 143 N -4.20 1.77 -0.61 0.66 4.77 -1.26 -2.60 117.00 115.53 1gha n LEU 143 Ca 0.06 1.13 0.13 0.00 -0.03 0.00 0.00 56.01 57.31 1gha n LEU 143 Cb 0.55 -1.23 0.35 0.00 -2.33 0.00 0.00 43.42 40.76 1gha n LEU 143 CO 0.55 -1.09 0.75 0.35 -1.33 0.00 0.00 177.39 176.63 1gha n THR 144 N 2.04 0.00 -3.64 -5.08 -2.24 -1.26 -1.54 114.28 102.55 1gha n THR 144 Ca 0.16 -0.32 -0.09 0.00 -2.27 0.00 0.00 64.05 61.53 1gha n THR 144 Cb 0.23 0.84 -0.07 0.00 -2.10 0.00 0.00 70.33 69.24 1gha n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1gha s ARG 145 N -2.06 0.61 0.00 -0.78 0.52 -1.26 -4.05 118.95 111.93 1gha s ARG 145 Ca 0.33 0.81 0.21 0.00 -0.52 0.00 0.00 55.73 56.56 1gha s ARG 145 Cb 0.20 0.25 0.17 0.00 0.52 0.00 0.00 34.95 36.09 1gha s ARG 145 CO 0.35 -0.09 1.16 0.98 0.02 0.00 0.00 175.30 177.72