#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dks s SER 2 N 0.00 0.44 0.13 1.61 1.04 -1.26 -5.06 113.70 110.61 2dks s SER 2 Ca 0.00 -0.10 -0.33 0.00 0.48 0.00 0.00 55.95 56.00 2dks s SER 2 Cb 0.00 -0.04 -0.10 0.00 0.10 0.00 0.00 66.02 65.98 2dks s SER 2 CO 0.00 0.02 1.55 0.77 0.98 0.00 0.00 173.24 176.56 2dks h SER 3 N 5.94 -1.91 -3.53 7.02 4.64 -1.99 -3.47 113.55 120.25 2dks h SER 3 Ca -0.27 0.26 0.35 0.00 -0.47 0.00 0.00 61.79 61.65 2dks h SER 3 Cb 1.20 0.79 -0.15 0.00 -0.31 0.00 0.00 62.40 63.93 2dks h SER 3 CO 0.50 -0.38 -0.96 0.61 -0.87 0.00 0.00 176.83 175.73 2dks n GLY 4 N -1.36 -2.82 2.80 -0.77 0.00 -1.26 -4.91 105.19 96.87 2dks n GLY 4 Ca -0.03 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.64 2dks n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dks s SER 5 N -7.13 2.16 0.00 1.61 1.04 -1.26 -5.13 113.70 104.99 2dks s SER 5 Ca 0.00 -0.37 -0.09 0.00 0.48 0.00 0.00 55.95 55.97 2dks s SER 5 Cb 0.00 -0.60 0.01 0.00 0.10 0.00 0.00 66.02 65.52 2dks s SER 5 CO 0.00 -0.21 0.18 -0.55 0.98 0.00 0.00 173.24 173.65 2dks s SER 6 N 1.86 -0.02 0.18 7.02 0.15 -1.26 -5.06 113.70 116.57 2dks s SER 6 Ca 0.03 -0.16 -0.13 0.00 0.70 0.00 0.00 55.95 56.39 2dks s SER 6 Cb -0.14 0.24 0.17 0.00 -1.71 0.00 0.00 66.02 64.58 2dks s SER 6 CO -0.07 -0.41 1.74 1.23 1.20 0.00 0.00 173.24 176.94 2dks h GLY 7 N 4.08 0.65 -4.39 9.45 0.00 -2.05 -3.42 103.07 107.40 2dks h GLY 7 Ca -0.31 -0.09 -0.53 0.00 0.00 0.00 0.00 47.33 46.40 2dks h GLY 7 CO 0.41 0.00 0.90 -0.37 0.00 0.00 0.00 176.54 177.49 2dks n THR 8 N -5.02 0.83 -2.67 4.70 5.66 -1.26 -4.96 114.28 111.56 2dks n THR 8 Ca 0.05 -0.21 -0.39 0.00 -3.05 0.00 0.00 64.05 60.45 2dks n THR 8 Cb 0.20 -1.96 -0.06 0.00 -1.55 0.00 0.00 70.33 66.97 2dks n THR 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dks s ALA 9 N 0.21 3.30 -0.20 1.79 0.00 -1.26 -5.06 121.76 120.55 2dks s ALA 9 Ca 0.66 0.67 -0.17 0.00 0.00 0.00 0.00 51.96 53.12 2dks s ALA 9 Cb -0.50 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.44 2dks s ALA 9 CO 0.45 0.08 0.52 1.14 0.00 0.00 0.00 175.76 177.95 2dks s GLN 10 N -1.56 0.59 -0.25 0.00 -2.07 -1.26 -5.12 119.66 110.00 2dks s GLN 10 Ca 0.45 0.75 -0.28 0.00 -1.82 0.00 0.00 55.36 54.46 2dks s GLN 10 Cb -0.25 0.26 -0.03 0.00 -1.09 0.00 0.00 33.01 31.89 2dks s GLN 10 CO 0.32 -0.08 1.91 -1.17 -1.32 0.00 0.00 175.29 174.95 2dks s LEU 11 N 0.45 3.62 0.38 2.60 0.20 -1.26 -4.46 118.68 120.21 2dks s LEU 11 Ca -0.01 1.65 0.04 0.00 0.69 0.00 0.00 54.13 56.49 2dks s LEU 11 Cb -0.04 -3.52 -0.04 0.00 -0.43 0.00 0.00 46.19 42.15 2dks s LEU 11 CO -0.02 -1.66 0.07 0.28 -0.29 0.00 0.00 176.35 174.74 2dks s THR 12 N 6.85 1.02 -0.03 3.68 -1.32 -1.02 -4.79 115.64 120.04 2dks s THR 12 Ca 0.86 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.34 2dks s THR 12 Cb -0.28 -2.58 0.03 0.00 -1.51 0.00 0.00 72.50 68.16 2dks s THR 12 CO 0.34 0.00 0.01 -0.63 -2.21 0.00 0.00 174.62 172.13 2dks s ILE 13 N -3.19 0.10 -0.17 5.08 1.01 -1.26 -1.09 121.20 121.68 2dks s ILE 13 Ca 0.29 0.13 0.01 0.00 0.00 0.00 0.00 60.65 61.08 2dks s ILE 13 Cb 0.06 -0.21 0.02 0.00 0.01 0.00 0.00 42.46 42.34 2dks s ILE 13 CO 0.14 0.13 -0.19 -0.70 0.00 0.00 0.00 174.94 174.31 2dks s GLU 14 N 1.04 2.88 0.27 2.79 2.12 0.28 -4.81 118.70 123.26 2dks s GLU 14 Ca -0.10 -0.79 -0.29 0.00 0.36 0.00 0.00 54.97 54.15 2dks s GLU 14 Cb -0.13 -2.46 -0.09 0.00 0.26 0.00 0.00 34.13 31.70 2dks s GLU 14 CO -0.02 -0.17 1.15 0.00 -0.54 0.00 0.00 175.26 175.68 2dks s ALA 15 N 1.21 3.43 -0.20 6.30 0.00 -1.26 -0.98 121.76 130.26 2dks s ALA 15 Ca 0.02 0.97 -0.04 0.00 0.00 0.00 0.00 51.96 52.91 2dks s ALA 15 Cb -0.14 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.69 2dks s ALA 15 CO -0.10 -0.28 0.09 0.08 0.00 0.00 0.00 175.76 175.55 2dks s VAL 16 N -0.98 0.03 1.04 0.00 1.01 0.13 -2.98 120.40 118.66 2dks s VAL 16 Ca 0.47 -0.39 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 2dks s VAL 16 Cb -0.33 -0.76 0.26 0.00 0.00 0.00 0.00 36.38 35.55 2dks s VAL 16 CO 0.43 -0.38 0.93 -0.81 0.00 0.00 0.00 175.10 175.26 2dks n PRO 17 N 5.23 -2.82 -0.00 2.72 -0.04 -1.26 -0.21 135.00 138.62 2dks n PRO 17 Ca -0.07 -1.48 -0.03 0.00 -0.04 0.00 0.00 63.50 61.88 2dks n PRO 17 Cb 0.47 -1.39 -0.11 0.00 -0.04 0.00 0.00 33.50 32.43 2dks n PRO 17 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dks n SER 18 N -4.59 0.70 -3.56 3.54 2.88 -1.16 -4.66 113.62 106.77 2dks n SER 18 Ca 0.13 0.32 -0.29 0.00 -1.33 0.00 0.00 58.87 57.70 2dks n SER 18 Cb 0.50 0.32 -0.12 0.00 -0.75 0.00 0.00 64.21 64.16 2dks n SER 18 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2dks s ASN 19 N -5.74 2.99 0.66 -3.46 0.01 -1.26 -3.19 114.94 104.96 2dks s ASN 19 Ca -0.05 -2.65 -0.02 0.00 -0.71 0.00 0.00 52.86 49.44 2dks s ASN 19 Cb 0.08 -0.71 0.08 0.00 0.41 0.00 0.00 41.25 41.12 2dks s ASN 19 CO 0.82 -0.25 0.93 0.00 -1.51 0.00 0.00 177.10 177.09 2dks s ALA 20 N 0.43 3.61 0.22 0.60 0.00 -1.04 -4.89 121.76 120.69 2dks s ALA 20 Ca 0.22 -1.41 0.11 0.00 0.00 0.00 0.00 51.96 50.88 2dks s ALA 20 Cb -0.16 -2.18 -0.05 0.00 0.00 0.00 0.00 23.12 20.74 2dks s ALA 20 CO -0.05 -1.21 -0.20 0.00 0.00 0.00 0.00 175.76 174.30 2dks s ALA 21 N -3.05 2.68 -0.00 0.00 0.00 -1.26 -1.59 121.76 118.53 2dks s ALA 21 Ca 0.62 -1.70 -0.39 0.00 0.00 0.00 0.00 51.96 50.49 2dks s ALA 21 Cb -0.08 -0.37 -0.18 0.00 0.00 0.00 0.00 23.12 22.48 2dks s ALA 21 CO 0.43 0.38 1.27 0.39 0.00 0.00 0.00 175.76 178.22 2dks n GLU 22 N -0.10 0.61 0.00 0.00 1.02 -1.21 0.17 120.64 121.14 2dks n GLU 22 Ca -0.10 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2dks n GLU 22 Cb 0.57 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 2dks n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dks n GLY 23 N 2.28 2.71 3.95 0.62 0.00 -0.03 -4.91 105.19 109.81 2dks n GLY 23 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 2dks n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dks s LYS 24 N -0.73 0.73 0.07 1.61 -0.14 0.13 -4.03 119.74 117.38 2dks s LYS 24 Ca 0.00 -0.68 0.10 0.00 -1.36 0.00 0.00 55.97 54.03 2dks s LYS 24 Cb 0.00 -1.96 -0.03 0.00 -1.68 0.00 0.00 37.83 34.16 2dks s LYS 24 CO 0.00 -2.28 -0.26 -1.21 -0.76 0.00 0.00 175.35 170.84 2dks s GLU 25 N -5.74 1.69 -0.08 1.68 8.01 -1.26 -0.76 118.70 122.23 2dks s GLU 25 Ca 0.74 -1.18 0.01 0.00 0.01 0.00 0.00 54.97 54.54 2dks s GLU 25 Cb -0.03 -1.96 0.02 0.00 -4.31 0.00 0.00 34.13 27.85 2dks s GLU 25 CO 0.51 0.49 -0.09 0.08 0.01 0.00 0.00 175.26 176.27 2dks s VAL 26 N -0.89 0.99 -0.36 2.63 1.01 0.88 -4.41 120.40 120.24 2dks s VAL 26 Ca 0.13 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 2dks s VAL 26 Cb -0.10 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.32 2dks s VAL 26 CO 0.03 0.34 0.22 -0.22 0.00 0.00 0.00 175.10 175.48 2dks s LEU 27 N 1.21 4.64 -0.86 3.92 2.96 0.71 -0.03 118.68 131.24 2dks s LEU 27 Ca -0.05 -0.80 -0.22 0.00 -0.22 0.00 0.00 54.13 52.85 2dks s LEU 27 Cb -0.14 -2.06 0.08 0.00 0.50 0.00 0.00 46.19 44.57 2dks s LEU 27 CO -0.02 -0.34 1.19 -0.76 -1.32 0.00 0.00 176.35 175.09 2dks s LEU 28 N 1.61 4.27 0.63 -0.68 1.43 -0.85 0.19 118.68 125.28 2dks s LEU 28 Ca 0.04 -1.44 -0.13 0.00 -1.03 0.00 0.00 54.13 51.56 2dks s LEU 28 Cb -0.18 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 2dks s LEU 28 CO 0.08 -1.36 1.05 -0.76 0.23 0.00 0.00 176.35 175.58 2dks s LEU 29 N 3.98 3.35 0.08 1.79 1.43 -0.15 -3.13 118.68 126.02 2dks s LEU 29 Ca 0.34 1.67 0.08 0.00 -1.03 0.00 0.00 54.13 55.19 2dks s LEU 29 Cb -0.07 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.61 2dks s LEU 29 CO -0.02 -1.18 -0.21 -0.69 0.23 0.00 0.00 176.35 174.49 2dks s VAL 30 N -2.77 1.72 0.18 -1.59 1.01 -1.26 -0.56 120.40 117.13 2dks s VAL 30 Ca 0.60 -1.43 0.06 0.00 0.00 0.00 0.00 61.98 61.22 2dks s VAL 30 Cb -0.14 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 2dks s VAL 30 CO 0.45 0.04 -0.13 -1.00 0.00 0.00 0.00 175.10 174.46 2dks s HIS 31 N -1.02 1.53 -1.80 5.22 0.09 -0.25 -4.75 115.29 114.30 2dks s HIS 31 Ca 0.07 -0.64 0.00 0.00 -0.00 0.00 0.00 55.06 54.49 2dks s HIS 31 Cb -0.10 -0.73 0.00 0.00 -0.00 0.00 0.00 32.58 31.75 2dks s HIS 31 CO 0.03 0.25 0.00 0.09 -0.00 0.00 0.00 174.74 175.11 2dks n ASN 32 N -0.27 -5.41 -4.36 1.40 3.02 -1.26 -2.43 115.26 105.95 2dks n ASN 32 Ca -0.09 0.19 -0.33 0.00 -0.03 0.00 0.00 54.58 54.32 2dks n ASN 32 Cb 0.60 -4.51 0.12 0.00 -0.61 0.00 0.00 39.78 35.38 2dks n ASN 32 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2dks n LEU 33 N -2.49 -1.04 0.00 3.41 4.77 -1.26 -4.38 117.00 116.01 2dks n LEU 33 Ca -0.21 0.27 -0.23 0.00 -0.03 0.00 0.00 56.01 55.81 2dks n LEU 33 Cb 0.65 -1.13 0.19 0.00 -2.33 0.00 0.00 43.42 40.80 2dks n LEU 33 CO 0.27 -3.83 0.46 -0.81 -1.33 0.00 0.00 177.39 172.16 2dks n PRO 34 N -1.26 -2.65 -0.07 3.23 -0.04 -1.26 -5.02 135.00 127.92 2dks n PRO 34 Ca 0.05 -1.34 -0.09 0.00 -0.04 0.00 0.00 63.50 62.08 2dks n PRO 34 Cb 0.55 -1.25 -0.06 0.00 -0.04 0.00 0.00 33.50 32.70 2dks n PRO 34 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2dks h GLN 35 N 0.00 0.00 -2.97 0.54 3.07 -2.00 -3.43 115.11 110.32 2dks h GLN 35 Ca -0.31 0.00 -0.61 0.00 0.09 0.00 0.00 58.65 57.81 2dks h GLN 35 Cb 0.96 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.12 2dks h GLN 35 CO 0.21 0.47 -0.73 -0.51 0.09 0.00 0.00 178.83 178.36 2dks s ASP 36 N -6.04 3.66 -0.12 0.06 1.11 -1.26 -5.09 116.67 108.99 2dks s ASP 36 Ca -0.14 -2.95 -0.29 0.00 0.18 0.00 0.00 52.55 49.35 2dks s ASP 36 Cb 0.01 -1.13 -0.04 0.00 1.07 0.00 0.00 42.92 42.83 2dks s ASP 36 CO 0.35 -0.22 1.54 -2.16 1.18 0.00 0.00 175.17 175.87 2dks s PRO 37 N -0.08 4.12 0.29 8.23 0.04 -1.26 -1.69 135.00 144.65 2dks s PRO 37 Ca 0.21 1.95 0.12 0.00 0.04 0.00 0.00 61.00 63.31 2dks s PRO 37 Cb -0.17 -3.93 0.40 0.00 0.04 0.00 0.00 34.50 30.84 2dks s PRO 37 CO -0.05 -0.89 1.63 -0.09 0.04 0.00 0.00 177.00 177.64 2dks h ARG 38 N 9.39 0.00 0.00 4.56 2.43 0.59 -3.43 114.38 127.92 2dks h ARG 38 Ca -0.35 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 2dks h ARG 38 Cb 1.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2dks h ARG 38 CO 0.97 0.58 0.00 0.41 -1.51 0.00 0.00 179.97 180.42 2dks n GLY 39 N 0.23 1.94 3.93 2.80 0.00 -1.16 -2.36 105.19 110.57 2dks n GLY 39 Ca -0.01 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 2dks n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dks s TYR 40 N -1.53 3.48 -0.23 1.61 2.02 -0.01 -0.51 117.35 122.19 2dks s TYR 40 Ca 0.00 0.38 -0.05 0.00 -0.37 0.00 0.00 57.07 57.03 2dks s TYR 40 Cb 0.00 -1.89 0.12 0.00 -0.40 0.00 0.00 41.96 39.79 2dks s TYR 40 CO 0.00 0.32 0.42 -0.80 -1.57 0.00 0.00 175.55 173.92 2dks s ASN 41 N -3.27 -0.17 0.22 2.29 0.01 0.46 -0.98 114.94 113.50 2dks s ASN 41 Ca 0.39 0.69 0.05 0.00 -0.71 0.00 0.00 52.86 53.28 2dks s ASN 41 Cb -0.11 1.35 -0.03 0.00 0.41 0.00 0.00 41.25 42.87 2dks s ASN 41 CO 0.30 -0.26 0.33 0.26 -1.51 0.00 0.00 177.10 176.21 2dks s TRP 42 N 2.61 3.43 0.16 2.20 0.52 -0.75 0.44 118.94 127.56 2dks s TRP 42 Ca 0.06 0.01 -0.08 0.00 0.02 0.00 0.00 56.10 56.11 2dks s TRP 42 Cb -0.14 -1.58 -0.01 0.00 -1.15 0.00 0.00 33.47 30.59 2dks s TRP 42 CO -0.15 0.47 0.26 0.71 0.02 0.00 0.00 176.95 178.26 2dks s TYR 43 N -1.93 0.48 -0.49 -1.98 1.51 0.10 -1.94 117.35 113.10 2dks s TYR 43 Ca 0.34 -0.84 -0.10 0.00 -1.01 0.00 0.00 57.07 55.46 2dks s TYR 43 Cb -0.09 -0.12 0.13 0.00 -0.11 0.00 0.00 41.96 41.76 2dks s TYR 43 CO 0.28 -0.70 0.37 0.21 -1.11 0.00 0.00 175.55 174.60 2dks s LYS 44 N -3.99 2.54 0.00 -0.62 2.20 0.81 -2.65 119.74 118.05 2dks s LYS 44 Ca 0.19 -1.81 0.00 0.00 -0.36 0.00 0.00 55.97 53.99 2dks s LYS 44 Cb 0.04 -3.96 0.00 0.00 -1.51 0.00 0.00 37.83 32.40 2dks s LYS 44 CO 0.01 -1.21 0.00 0.41 -0.36 0.00 0.00 175.35 174.20 2dks n GLY 45 N 4.85 0.66 1.32 5.54 0.00 -0.28 -4.81 105.19 112.46 2dks n GLY 45 Ca -0.07 -1.94 -0.08 0.00 0.00 0.00 0.00 46.02 43.93 2dks n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dks n GLU 46 N 0.00 2.10 -3.80 1.61 1.02 -1.26 -2.31 120.64 118.00 2dks n GLU 46 Ca 0.00 -3.35 -0.13 0.00 -0.02 0.00 0.00 57.16 53.66 2dks n GLU 46 Cb 0.00 -1.89 -0.12 0.00 -0.02 0.00 0.00 31.44 29.41 2dks n GLU 46 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2dks s THR 47 N -3.54 -0.00 -1.26 2.62 -4.23 -1.26 -5.05 115.64 102.93 2dks s THR 47 Ca 0.46 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.93 2dks s THR 47 Cb 0.41 -0.31 0.17 0.00 1.34 0.00 0.00 72.50 74.11 2dks s THR 47 CO -0.01 0.00 2.23 0.52 -0.54 0.00 0.00 174.62 176.82 2dks n VAL 48 N 2.97 5.39 -3.95 2.29 0.31 -1.26 -4.71 118.33 119.37 2dks n VAL 48 Ca -0.13 -4.71 -0.36 0.00 -0.01 0.00 0.00 64.34 59.14 2dks n VAL 48 Cb 0.58 -1.98 -0.06 0.00 -0.91 0.00 0.00 33.84 31.47 2dks n VAL 48 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dks s ASP 49 N -0.00 6.22 0.50 4.52 -1.08 -1.26 -4.99 116.67 120.58 2dks s ASP 49 Ca 0.50 0.38 0.22 0.00 -0.52 0.00 0.00 52.55 53.13 2dks s ASP 49 Cb 0.18 -1.96 1.28 0.00 -1.46 0.00 0.00 42.92 40.96 2dks s ASP 49 CO -0.09 0.36 1.97 0.00 0.52 0.00 0.00 175.17 177.93 2dks h ALA 50 N 4.66 2.38 -0.22 3.66 0.00 -1.97 0.12 119.26 127.88 2dks h ALA 50 Ca -0.53 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 2dks h ALA 50 Cb 1.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2dks h ALA 50 CO 0.61 -0.55 -0.11 -0.91 0.00 0.00 0.00 179.25 178.28 2dks h ASN 51 N 0.14 0.34 -0.60 0.00 2.35 -1.98 -2.34 115.58 113.48 2dks h ASN 51 Ca 0.29 -0.08 -0.19 0.00 -0.55 0.00 0.00 56.30 55.78 2dks h ASN 51 Cb 0.97 -0.09 -0.11 0.00 0.05 0.00 0.00 38.32 39.13 2dks h ASN 51 CO -0.04 0.49 0.19 0.54 -1.65 0.00 0.00 177.43 176.96 2dks n ARG 52 N -4.25 3.20 -2.67 0.81 5.12 0.35 -4.55 116.66 114.67 2dks n ARG 52 Ca 0.00 -3.06 -0.43 0.00 -1.93 0.00 0.00 57.85 52.43 2dks n ARG 52 Cb 0.29 -2.08 -0.03 0.00 -1.16 0.00 0.00 32.46 29.48 2dks n ARG 52 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2dks s ARG 53 N -3.03 3.75 -0.05 5.56 3.52 -0.88 -0.13 118.95 127.70 2dks s ARG 53 Ca 0.51 0.57 -0.16 0.00 -0.13 0.00 0.00 55.73 56.52 2dks s ARG 53 Cb 0.42 -3.87 -0.11 0.00 -1.56 0.00 0.00 34.95 29.83 2dks s ARG 53 CO 0.10 -1.24 0.67 0.82 -0.81 0.00 0.00 175.30 174.85 2dks h ILE 54 N 6.09 0.33 -1.85 4.11 2.04 -1.64 -3.20 117.51 123.39 2dks h ILE 54 Ca -0.23 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 2dks h ILE 54 Cb 1.06 0.56 -0.23 0.00 -0.74 0.00 0.00 36.82 37.48 2dks h ILE 54 CO 1.08 0.09 0.26 -0.51 0.00 0.00 0.00 178.15 179.06 2dks s ILE 55 N -3.21 0.00 -0.03 -0.67 2.07 -1.24 -2.00 121.20 116.13 2dks s ILE 55 Ca -0.09 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.19 2dks s ILE 55 Cb 0.01 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.59 2dks s ILE 55 CO 0.31 0.00 -0.16 -0.83 -1.91 0.00 0.00 174.94 172.35 2dks s GLY 56 N 0.18 0.83 0.03 1.50 0.00 -1.12 -1.80 107.32 106.93 2dks s GLY 56 Ca 0.00 -0.64 0.06 0.00 0.00 0.00 0.00 44.72 44.14 2dks s GLY 56 CO -0.01 -0.39 -0.18 -0.47 0.00 0.00 0.00 173.10 172.05 2dks s TYR 57 N -0.08 1.57 -0.28 1.90 5.04 -0.16 -1.29 117.35 124.06 2dks s TYR 57 Ca -0.00 -0.35 0.02 0.00 -2.44 0.00 0.00 57.07 54.30 2dks s TYR 57 Cb -0.09 -0.95 0.06 0.00 0.35 0.00 0.00 41.96 41.33 2dks s TYR 57 CO 0.01 0.05 -0.06 0.08 -1.34 0.00 0.00 175.55 174.29 2dks s VAL 58 N -0.73 2.40 0.45 3.14 1.01 -0.18 -0.83 120.40 125.66 2dks s VAL 58 Ca 0.05 -1.65 0.21 0.00 0.00 0.00 0.00 61.98 60.60 2dks s VAL 58 Cb -0.08 -2.44 0.24 0.00 0.00 0.00 0.00 36.38 34.10 2dks s VAL 58 CO 0.01 -0.11 2.05 0.40 0.00 0.00 0.00 175.10 177.45 2dks h ILE 59 N 6.67 0.83 -0.14 2.22 2.04 -1.74 1.92 117.51 129.31 2dks h ILE 59 Ca -0.18 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 2dks h ILE 59 Cb 1.04 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2dks h ILE 59 CO 0.49 0.14 -0.07 -1.28 0.00 0.00 0.00 178.15 177.43 2dks h SER 60 N 0.00 0.30 -0.40 1.72 0.87 -1.84 -3.23 113.55 110.97 2dks h SER 60 Ca -0.00 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 2dks h SER 60 Cb 0.30 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2dks h SER 60 CO 0.02 0.65 0.00 -3.20 -0.53 0.00 0.00 176.83 173.77 2dks n ASN 61 N -4.66 3.67 -3.74 6.23 5.15 -1.05 -4.97 115.26 115.89 2dks n ASN 61 Ca -0.06 -2.42 -0.25 0.00 -0.60 0.00 0.00 54.58 51.25 2dks n ASN 61 Cb 0.29 -0.41 -0.07 0.00 -0.53 0.00 0.00 39.78 39.06 2dks n ASN 61 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dks n GLN 62 N 0.35 -0.90 -4.21 1.20 6.02 0.65 -4.88 117.38 115.61 2dks n GLN 62 Ca 0.18 0.08 -0.30 0.00 -0.01 0.00 0.00 57.00 56.95 2dks n GLN 62 Cb 0.68 -2.84 -0.09 0.00 1.02 0.00 0.00 30.24 29.01 2dks n GLN 62 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2dks s GLN 63 N -5.84 2.19 -0.14 -1.09 2.00 -0.95 -4.92 119.66 110.91 2dks s GLN 63 Ca 0.23 -1.01 0.00 0.00 -2.00 0.00 0.00 55.36 52.58 2dks s GLN 63 Cb -0.13 -2.34 0.02 0.00 0.80 0.00 0.00 33.01 31.36 2dks s GLN 63 CO 0.72 0.51 -0.12 0.42 -0.50 0.00 0.00 175.29 176.32 2dks s ILE 64 N -1.25 1.36 -0.35 -2.34 1.01 -1.26 -1.01 121.20 117.36 2dks s ILE 64 Ca 0.22 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.38 2dks s ILE 64 Cb -0.11 -1.32 0.11 0.00 0.01 0.00 0.00 42.46 41.15 2dks s ILE 64 CO 0.15 0.42 0.11 -0.89 0.00 0.00 0.00 174.94 174.73 2dks s THR 65 N 1.57 1.47 0.68 2.92 2.01 -0.41 -5.01 115.64 118.87 2dks s THR 65 Ca 0.05 -1.98 -0.14 0.00 0.31 0.00 0.00 61.69 59.93 2dks s THR 65 Cb -0.13 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.30 2dks s THR 65 CO -0.10 -0.70 1.11 -2.16 -0.69 0.00 0.00 174.62 172.08 2dks s PRO 66 N 1.09 2.71 0.00 4.92 0.04 -1.26 -2.81 135.00 139.70 2dks s PRO 66 Ca 0.12 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.51 2dks s PRO 66 Cb -0.19 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2dks s PRO 66 CO -0.15 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 175.99 2dks n GLY 67 N -0.63 3.34 0.17 0.56 0.00 -0.85 -4.92 105.19 102.86 2dks n GLY 67 Ca 0.10 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.06 2dks n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dks h PRO 68 N 0.00 0.04 -0.98 1.61 0.13 -1.83 -2.93 132.00 128.04 2dks h PRO 68 Ca 0.00 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 65.02 2dks h PRO 68 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2dks h PRO 68 CO 0.00 0.52 0.11 0.00 -0.23 0.00 0.00 178.00 178.40 2dks n ALA 69 N -2.45 3.10 -2.69 -0.56 0.00 -1.21 -4.83 120.51 111.86 2dks n ALA 69 Ca -0.02 -0.59 -0.34 0.00 0.00 0.00 0.00 53.44 52.49 2dks n ALA 69 Cb 0.51 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.76 2dks n ALA 69 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2dks s TYR 70 N -0.90 2.95 -0.03 0.00 5.04 -1.11 -4.62 117.35 118.68 2dks s TYR 70 Ca 0.13 -0.09 0.04 0.00 -2.44 0.00 0.00 57.07 54.71 2dks s TYR 70 Cb 0.10 -1.77 0.06 0.00 0.35 0.00 0.00 41.96 40.71 2dks s TYR 70 CO 0.03 0.22 0.92 0.45 -1.34 0.00 0.00 175.55 175.82 2dks n SER 71 N 2.58 0.78 -2.48 4.32 2.88 -1.26 -4.98 113.62 115.46 2dks n SER 71 Ca -0.18 -2.01 -0.16 0.00 -1.33 0.00 0.00 58.87 55.20 2dks n SER 71 Cb 0.53 -0.18 0.05 0.00 -0.75 0.00 0.00 64.21 63.86 2dks n SER 71 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2dks n ASN 72 N -0.39 -4.86 0.00 -3.46 2.85 -1.26 -4.91 115.26 103.23 2dks n ASN 72 Ca 0.04 -0.33 0.00 0.00 -0.11 0.00 0.00 54.58 54.17 2dks n ASN 72 Cb 0.58 -3.49 0.00 0.00 1.24 0.00 0.00 39.78 38.11 2dks n ASN 72 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2dks n ARG 73 N -3.40 3.49 -3.01 1.20 1.74 -1.26 -5.06 116.66 110.36 2dks n ARG 73 Ca -0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.78 2dks n ARG 73 Cb 0.55 -0.95 -0.03 0.00 -1.02 0.00 0.00 32.46 31.01 2dks n ARG 73 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2dks s GLU 74 N -1.90 3.69 -0.20 5.56 8.01 -1.26 -2.89 118.70 129.71 2dks s GLU 74 Ca 0.00 0.26 -0.04 0.00 0.01 0.00 0.00 54.97 55.20 2dks s GLU 74 Cb 0.00 -2.48 0.10 0.00 -4.31 0.00 0.00 34.13 27.44 2dks s GLU 74 CO 0.00 0.03 0.25 0.99 0.01 0.00 0.00 175.26 176.55 2dks s THR 75 N -2.32 -0.38 1.14 3.63 2.01 -0.91 -4.95 115.64 113.86 2dks s THR 75 Ca 0.48 -0.07 -0.13 0.00 0.31 0.00 0.00 61.69 62.28 2dks s THR 75 Cb -0.10 -0.68 0.27 0.00 0.01 0.00 0.00 72.50 72.00 2dks s THR 75 CO 0.33 -0.16 1.04 -0.63 -0.69 0.00 0.00 174.62 174.50 2dks s ILE 76 N 2.37 2.02 0.10 1.82 1.09 -1.26 -1.23 121.20 126.11 2dks s ILE 76 Ca 0.07 0.01 0.01 0.00 -1.10 0.00 0.00 60.65 59.65 2dks s ILE 76 Cb -0.15 -2.12 -0.04 0.00 -1.06 0.00 0.00 42.46 39.08 2dks s ILE 76 CO -0.12 -0.01 -0.05 -0.31 -0.10 0.00 0.00 174.94 174.35 2dks s TYR 77 N -2.53 0.87 -2.00 3.97 1.51 0.18 -4.82 117.35 114.53 2dks s TYR 77 Ca 0.68 -0.96 0.12 0.00 -1.01 0.00 0.00 57.07 55.90 2dks s TYR 77 Cb -0.24 -0.51 0.70 0.00 -0.11 0.00 0.00 41.96 41.80 2dks s TYR 77 CO 0.64 -0.20 1.13 -0.35 -1.11 0.00 0.00 175.55 175.66 2dks n PRO 78 N -0.04 0.49 -0.05 -1.71 -0.04 -1.26 -1.89 135.00 130.49 2dks n PRO 78 Ca -0.12 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.40 2dks n PRO 78 Cb 0.61 -1.38 0.08 0.00 -0.04 0.00 0.00 33.50 32.77 2dks n PRO 78 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2dks n ASN 79 N -0.88 2.10 -0.96 3.54 6.94 -1.26 -4.97 115.26 119.78 2dks n ASN 79 Ca 0.09 -2.58 -0.07 0.00 -0.02 0.00 0.00 54.58 51.99 2dks n ASN 79 Cb 0.04 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.22 2dks n ASN 79 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2dks n ALA 80 N -1.00 -0.26 -2.57 -2.53 0.00 -0.79 -4.53 120.51 108.84 2dks n ALA 80 Ca 0.09 0.07 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 2dks n ALA 80 Cb 0.48 -1.29 -0.11 0.00 0.00 0.00 0.00 19.45 18.53 2dks n ALA 80 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dks s SER 81 N -2.74 4.48 -0.19 0.00 0.01 -1.25 -4.66 113.70 109.34 2dks s SER 81 Ca 0.03 -0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.12 2dks s SER 81 Cb -0.02 -1.02 0.00 0.00 0.21 0.00 0.00 66.02 65.20 2dks s SER 81 CO 0.04 0.30 -0.13 -0.22 0.41 0.00 0.00 173.24 173.64 2dks s LEU 82 N -1.27 2.50 -0.43 2.44 2.96 -1.18 0.50 118.68 124.20 2dks s LEU 82 Ca 0.16 -0.51 -0.20 0.00 -0.22 0.00 0.00 54.13 53.36 2dks s LEU 82 Cb -0.11 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 45.01 2dks s LEU 82 CO 0.06 0.01 0.59 -0.22 -1.32 0.00 0.00 176.35 175.47 2dks s LEU 83 N 1.25 4.59 -0.28 -0.68 2.96 -0.37 -2.00 118.68 124.15 2dks s LEU 83 Ca 0.03 -0.42 -0.20 0.00 -0.22 0.00 0.00 54.13 53.32 2dks s LEU 83 Cb -0.14 -2.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.90 2dks s LEU 83 CO -0.06 -0.72 0.64 -0.32 -1.32 0.00 0.00 176.35 174.56 2dks s MET 84 N 2.64 3.99 0.02 1.98 -2.45 0.96 -2.15 119.30 124.29 2dks s MET 84 Ca 0.20 0.42 0.00 0.00 -1.25 0.00 0.00 55.69 55.05 2dks s MET 84 Cb -0.15 -3.69 -0.04 0.00 1.25 0.00 0.00 34.83 32.20 2dks s MET 84 CO 0.17 -0.51 0.12 1.03 1.05 0.00 0.00 175.02 176.89 2dks s ARG 85 N 2.58 3.14 -1.38 4.11 0.52 -1.14 -0.08 118.95 126.69 2dks s ARG 85 Ca 0.26 -0.50 -0.06 0.00 -0.52 0.00 0.00 55.73 54.91 2dks s ARG 85 Cb -0.15 -2.90 0.03 0.00 0.52 0.00 0.00 34.95 32.45 2dks s ARG 85 CO 0.10 0.63 0.90 0.09 0.02 0.00 0.00 175.30 177.04 2dks n ASN 86 N 0.83 -3.23 -4.51 0.23 3.02 -0.76 -4.86 115.26 105.98 2dks n ASN 86 Ca -0.10 -0.75 -0.36 0.00 -0.03 0.00 0.00 54.58 53.34 2dks n ASN 86 Cb 0.52 -4.24 0.08 0.00 -0.61 0.00 0.00 39.78 35.53 2dks n ASN 86 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2dks n VAL 87 N -4.50 1.94 -4.24 2.41 0.24 0.06 -4.39 118.33 109.84 2dks n VAL 87 Ca -0.14 -0.37 -0.14 0.00 -2.04 0.00 0.00 64.34 61.66 2dks n VAL 87 Cb 0.61 -0.84 -0.10 0.00 -1.47 0.00 0.00 33.84 32.04 2dks n VAL 87 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2dks s THR 88 N -1.92 0.64 0.33 3.34 -4.23 -1.26 -0.85 115.64 111.69 2dks s THR 88 Ca 0.67 -1.98 0.37 0.00 -1.18 0.00 0.00 61.69 59.58 2dks s THR 88 Cb -0.34 -2.16 0.38 0.00 1.34 0.00 0.00 72.50 71.73 2dks s THR 88 CO 0.56 -0.44 2.13 0.08 -0.54 0.00 0.00 174.62 176.42 2dks h ARG 89 N 2.68 0.00 -0.00 3.99 0.11 -1.96 -2.22 114.38 116.98 2dks h ARG 89 Ca -0.37 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.51 2dks h ARG 89 Cb 1.21 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.30 2dks h ARG 89 CO 0.62 0.00 -0.80 -0.91 0.10 0.00 0.00 179.97 178.98 2dks h ASN 90 N 0.00 0.71 -0.96 0.08 2.35 -1.95 -3.22 115.58 112.60 2dks h ASN 90 Ca 0.00 -0.75 0.24 0.00 -0.55 0.00 0.00 56.30 55.24 2dks h ASN 90 Cb 0.13 -0.22 -0.07 0.00 0.05 0.00 0.00 38.32 38.21 2dks h ASN 90 CO 0.00 1.37 0.64 0.44 -1.65 0.00 0.00 177.43 178.23 2dks h ASP 91 N 0.13 0.31 -1.50 5.81 3.32 -1.81 -3.41 116.42 119.26 2dks h ASP 91 Ca -0.10 0.04 -0.74 0.00 0.02 0.00 0.00 57.03 56.25 2dks h ASP 91 Cb 1.49 -0.01 0.02 0.00 0.22 0.00 0.00 39.33 41.05 2dks h ASP 91 CO 0.16 0.10 0.80 0.41 -1.72 0.00 0.00 179.24 178.99 2dks n THR 92 N -4.47 0.23 0.00 0.35 -1.04 -1.22 -4.40 114.28 103.74 2dks n THR 92 Ca 0.21 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 2dks n THR 92 Cb 0.83 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 2dks n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dks n GLY 93 N 3.89 -1.47 3.45 3.41 0.00 -1.26 -5.07 105.19 108.14 2dks n GLY 93 Ca 0.26 0.58 -0.16 0.00 0.00 0.00 0.00 46.02 46.70 2dks n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dks s SER 94 N -4.00 -0.54 -0.18 1.61 0.01 -1.26 -4.84 113.70 104.49 2dks s SER 94 Ca 0.00 0.64 -0.05 0.00 1.31 0.00 0.00 55.95 57.85 2dks s SER 94 Cb 0.00 0.59 0.07 0.00 0.21 0.00 0.00 66.02 66.89 2dks s SER 94 CO 0.00 -0.51 0.13 -0.31 0.41 0.00 0.00 173.24 172.96 2dks s TYR 95 N -0.99 0.05 0.03 2.43 1.51 -1.23 -1.12 117.35 118.03 2dks s TYR 95 Ca -0.10 -0.16 -0.21 0.00 -1.01 0.00 0.00 57.07 55.59 2dks s TYR 95 Cb -0.02 -0.60 -0.06 0.00 -0.11 0.00 0.00 41.96 41.18 2dks s TYR 95 CO 0.07 -0.55 0.62 0.99 -1.11 0.00 0.00 175.55 175.57 2dks s THR 96 N 2.20 4.81 -0.26 -0.71 2.01 -0.98 0.32 115.64 123.04 2dks s THR 96 Ca 0.04 1.30 0.01 0.00 0.31 0.00 0.00 61.69 63.35 2dks s THR 96 Cb -0.16 -3.95 0.07 0.00 0.01 0.00 0.00 72.50 68.47 2dks s THR 96 CO -0.11 0.46 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.03 2dks s LEU 97 N -0.48 2.87 -0.23 4.42 1.98 -0.25 0.01 118.68 127.00 2dks s LEU 97 Ca 0.31 -1.35 -0.08 0.00 -2.89 0.00 0.00 54.13 50.12 2dks s LEU 97 Cb -0.19 -1.23 -0.04 0.00 0.66 0.00 0.00 46.19 45.39 2dks s LEU 97 CO 0.19 -0.27 0.09 -1.58 -1.89 0.00 0.00 176.35 172.90 2dks s GLN 98 N 1.33 3.83 -0.14 1.98 0.74 0.17 -3.04 119.66 124.54 2dks s GLN 98 Ca -0.03 -0.40 0.00 0.00 0.05 0.00 0.00 55.36 54.99 2dks s GLN 98 Cb -0.19 -3.36 -0.01 0.00 1.10 0.00 0.00 33.01 30.55 2dks s GLN 98 CO -0.08 -0.03 -0.15 0.54 -0.55 0.00 0.00 175.29 175.02 2dks s VAL 99 N 1.23 2.84 0.31 1.34 0.11 -1.08 -0.40 120.40 124.74 2dks s VAL 99 Ca 0.05 -0.73 -0.08 0.00 -2.93 0.00 0.00 61.98 58.30 2dks s VAL 99 Cb -0.14 -2.19 -0.06 0.00 -1.53 0.00 0.00 36.38 32.46 2dks s VAL 99 CO 0.04 0.52 0.61 -0.63 -3.33 0.00 0.00 175.10 172.32 2dks s ILE 100 N 0.50 4.93 0.07 7.04 1.09 0.34 -1.24 121.20 133.93 2dks s ILE 100 Ca -0.10 0.31 0.09 0.00 -1.10 0.00 0.00 60.65 59.84 2dks s ILE 100 Cb -0.16 -3.71 -0.03 0.00 -1.06 0.00 0.00 42.46 37.50 2dks s ILE 100 CO 0.04 -0.32 -0.24 -0.54 -0.10 0.00 0.00 174.94 173.78 2dks s LYS 101 N -3.47 1.51 0.53 2.79 1.02 0.68 0.11 119.74 122.92 2dks s LYS 101 Ca 0.47 -1.11 0.18 0.00 0.02 0.00 0.00 55.97 55.52 2dks s LYS 101 Cb -0.11 -1.74 0.97 0.00 -0.52 0.00 0.00 37.83 36.43 2dks s LYS 101 CO 0.28 0.44 1.49 -0.07 -0.92 0.00 0.00 175.35 176.57 2dks h LEU 102 N 4.55 0.00 -1.79 3.17 -0.00 -1.64 0.30 115.31 119.90 2dks h LEU 102 Ca -0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.38 2dks h LEU 102 Cb 1.16 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.80 2dks h LEU 102 CO 0.42 0.00 0.04 -3.20 -0.00 0.00 0.00 178.44 175.71 2dks n ASN 103 N -2.48 2.33 -3.76 -0.43 5.15 -1.26 -4.83 115.26 109.98 2dks n ASN 103 Ca -0.01 -2.21 -0.25 0.00 -0.60 0.00 0.00 54.58 51.51 2dks n ASN 103 Cb 0.49 -0.54 0.04 0.00 -0.53 0.00 0.00 39.78 39.23 2dks n ASN 103 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2dks n LEU 104 N 0.15 -2.97 -4.45 1.20 4.77 0.10 -4.99 117.00 110.82 2dks n LEU 104 Ca 0.07 -0.74 -0.22 0.00 -0.03 0.00 0.00 56.01 55.09 2dks n LEU 104 Cb 0.53 -2.71 -0.10 0.00 -2.33 0.00 0.00 43.42 38.81 2dks n LEU 104 CO 0.08 0.47 -0.25 -0.04 -1.33 0.00 0.00 177.39 176.32 2dks s MET 105 N -6.28 1.68 -0.21 3.23 -1.94 -1.09 -4.96 119.30 109.74 2dks s MET 105 Ca 0.39 -1.95 -0.12 0.00 -1.71 0.00 0.00 55.69 52.30 2dks s MET 105 Cb -0.19 -0.73 0.07 0.00 2.01 0.00 0.00 34.83 35.98 2dks s MET 105 CO 0.80 -0.26 0.52 -1.12 -0.01 0.00 0.00 175.02 174.95 2dks s SER 106 N -3.49 -0.67 0.23 3.03 0.01 -1.26 -0.23 113.70 111.33 2dks s SER 106 Ca 0.34 1.12 0.05 0.00 1.31 0.00 0.00 55.95 58.77 2dks s SER 106 Cb 0.07 1.01 -0.03 0.00 0.21 0.00 0.00 66.02 67.28 2dks s SER 106 CO 0.15 -0.21 0.29 -1.61 0.41 0.00 0.00 173.24 172.27 2dks s GLU 107 N 1.37 3.26 -0.02 12.44 8.01 -0.37 -4.93 118.70 138.46 2dks s GLU 107 Ca -0.09 -0.84 0.05 0.00 0.01 0.00 0.00 54.97 54.10 2dks s GLU 107 Cb -0.07 -2.78 -0.01 0.00 -4.31 0.00 0.00 34.13 26.96 2dks s GLU 107 CO -0.14 0.43 -0.17 -1.21 0.01 0.00 0.00 175.26 174.18 2dks s GLU 108 N -3.84 1.47 -0.30 1.61 8.01 -1.26 -2.65 118.70 121.74 2dks s GLU 108 Ca 0.34 -0.62 -0.08 0.00 0.01 0.00 0.00 54.97 54.62 2dks s GLU 108 Cb -0.09 -1.39 0.15 0.00 -4.31 0.00 0.00 34.13 28.49 2dks s GLU 108 CO 0.27 0.35 0.66 0.54 0.01 0.00 0.00 175.26 177.10 2dks s VAL 109 N -0.33 -0.97 -0.65 2.63 0.11 -1.17 -4.96 120.40 115.07 2dks s VAL 109 Ca 0.05 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.86 2dks s VAL 109 Cb -0.08 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.83 2dks s VAL 109 CO -0.00 0.00 1.04 -0.89 -3.33 0.00 0.00 175.10 171.92 2dks s THR 110 N 2.87 4.19 -0.30 5.04 2.01 -1.26 -1.09 115.64 127.09 2dks s THR 110 Ca 0.01 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.08 2dks s THR 110 Cb -0.12 -4.70 0.08 0.00 0.01 0.00 0.00 72.50 67.76 2dks s THR 110 CO -0.19 -1.45 -0.02 -0.83 -0.69 0.00 0.00 174.62 171.43 2dks s GLY 111 N 3.44 1.79 0.32 4.40 0.00 0.15 -4.68 107.32 112.75 2dks s GLY 111 Ca 0.28 -2.10 0.02 0.00 0.00 0.00 0.00 44.72 42.92 2dks s GLY 111 CO 0.14 0.77 0.06 0.61 0.00 0.00 0.00 173.10 174.68 2dks n GLN 112 N 4.39 0.85 -3.48 2.90 0.00 -1.26 -4.19 117.38 116.59 2dks n GLN 112 Ca -0.06 -2.57 -0.13 0.00 0.00 0.00 0.00 57.00 54.24 2dks n GLN 112 Cb 0.42 1.10 -0.05 0.00 0.00 0.00 0.00 30.24 31.71 2dks n GLN 112 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 2dks n PHE 113 N -0.76 -0.68 -4.80 2.61 -1.74 -1.26 -4.58 117.46 106.25 2dks n PHE 113 Ca -0.09 -1.88 -0.26 0.00 -0.56 0.00 0.00 57.45 54.67 2dks n PHE 113 Cb 0.45 0.24 -0.16 0.00 1.52 0.00 0.00 39.48 41.53 2dks n PHE 113 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2dks s SER 114 N -2.59 2.11 -0.12 5.98 0.15 -1.19 -4.23 113.70 113.79 2dks s SER 114 Ca 0.26 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.57 2dks s SER 114 Cb 0.01 -0.65 -0.01 0.00 -1.71 0.00 0.00 66.02 63.66 2dks s SER 114 CO 0.19 0.14 -0.15 -0.69 1.20 0.00 0.00 173.24 173.92 2dks s VAL 115 N 0.13 2.89 -0.06 4.45 1.01 -1.26 -2.50 120.40 125.06 2dks s VAL 115 Ca -0.06 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2dks s VAL 115 Cb -0.12 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 2dks s VAL 115 CO 0.03 0.53 -0.15 -1.38 0.00 0.00 0.00 175.10 174.13 2dks s HIS 116 N 0.34 2.69 -0.96 5.22 -3.43 -0.62 -4.74 115.29 113.78 2dks s HIS 116 Ca -0.12 -0.30 -0.24 0.00 -0.80 0.00 0.00 55.06 53.60 2dks s HIS 116 Cb -0.16 -1.66 -0.05 0.00 -1.43 0.00 0.00 32.58 29.27 2dks s HIS 116 CO 0.06 0.08 1.94 -1.25 -2.00 0.00 0.00 174.74 173.57 2dks s PRO 117 N -0.48 2.55 -0.81 -0.38 0.04 -1.26 -3.34 135.00 131.31 2dks s PRO 117 Ca 0.06 -0.49 -0.33 0.00 0.04 0.00 0.00 61.00 60.29 2dks s PRO 117 Cb -0.12 -5.10 -0.19 0.00 0.04 0.00 0.00 34.50 29.13 2dks s PRO 117 CO 0.02 -3.50 2.54 -1.91 0.04 0.00 0.00 177.00 174.19 2dks n GLU 118 N 8.73 0.20 -4.24 4.56 2.13 -1.26 -4.89 120.64 125.87 2dks n GLU 118 Ca 0.41 0.02 -0.20 0.00 0.66 0.00 0.00 57.16 58.05 2dks n GLU 118 Cb 0.47 -1.81 -0.12 0.00 0.27 0.00 0.00 31.44 30.25 2dks n GLU 118 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2dks s THR 119 N 8.83 1.20 0.42 6.31 -4.23 -1.26 -5.05 115.64 121.85 2dks s THR 119 Ca 1.27 -1.25 -0.25 0.00 -1.18 0.00 0.00 61.69 60.28 2dks s THR 119 Cb -1.14 -1.12 -0.08 0.00 1.34 0.00 0.00 72.50 71.50 2dks s THR 119 CO 0.49 -0.13 1.18 -2.16 -0.54 0.00 0.00 174.62 173.46 2dks s PRO 120 N -1.59 3.96 -0.30 3.99 0.04 -1.26 -5.04 135.00 134.80 2dks s PRO 120 Ca 0.00 1.86 -0.13 0.00 0.04 0.00 0.00 61.00 62.77 2dks s PRO 120 Cb -0.09 -2.61 0.16 0.00 0.04 0.00 0.00 34.50 31.99 2dks s PRO 120 CO 0.02 -0.40 0.87 0.21 0.04 0.00 0.00 177.00 177.74 2dks s LYS 121 N -2.40 0.39 0.00 4.56 2.20 -1.26 -5.01 119.74 118.22 2dks s LYS 121 Ca 0.59 0.94 0.15 0.00 -0.36 0.00 0.00 55.97 57.29 2dks s LYS 121 Cb -0.31 0.56 0.88 0.00 -1.51 0.00 0.00 37.83 37.46 2dks s LYS 121 CO 0.39 -0.17 1.30 -0.35 -0.36 0.00 0.00 175.35 176.16 2dks n PRO 122 N 5.18 0.49 -3.88 4.03 -0.04 -1.26 -4.38 135.00 135.14 2dks n PRO 122 Ca -0.09 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.03 2dks n PRO 122 Cb 0.51 -1.47 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 2dks n PRO 122 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dks s SER 123 N -1.97 5.05 0.05 3.54 0.01 -1.26 -4.95 113.70 114.17 2dks s SER 123 Ca 0.22 -2.07 -0.14 0.00 1.31 0.00 0.00 55.95 55.27 2dks s SER 123 Cb 0.10 -1.74 -0.29 0.00 0.21 0.00 0.00 66.02 64.29 2dks s SER 123 CO 0.17 -0.47 1.10 -0.29 0.41 0.00 0.00 173.24 174.16 2dks h ILE 124 N 6.47 1.30 -2.30 1.44 6.09 -2.04 -3.40 117.51 125.05 2dks h ILE 124 Ca -0.09 -2.53 -0.67 0.00 -1.37 0.00 0.00 64.86 60.20 2dks h ILE 124 Cb 1.04 2.75 -0.16 0.00 0.47 0.00 0.00 36.82 40.92 2dks h ILE 124 CO 0.62 0.77 0.85 -0.55 -3.07 0.00 0.00 178.15 176.77 2dks s SER 125 N -7.43 6.52 0.00 2.19 0.15 -1.26 -4.91 113.70 108.96 2dks s SER 125 Ca -0.09 -1.75 0.00 0.00 0.70 0.00 0.00 55.95 54.81 2dks s SER 125 Cb 0.06 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 2dks s SER 125 CO 0.93 -1.20 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2dks n GLY 126 N 5.63 4.53 3.57 9.45 0.00 -1.26 -5.09 105.19 122.01 2dks n GLY 126 Ca 0.19 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 2dks n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dks s PRO 127 N 2.07 2.87 -0.23 1.61 0.04 -1.26 -4.82 135.00 135.28 2dks s PRO 127 Ca 0.00 0.83 -0.16 0.00 0.04 0.00 0.00 61.00 61.71 2dks s PRO 127 Cb 0.00 -4.31 -0.10 0.00 0.04 0.00 0.00 34.50 30.13 2dks s PRO 127 CO 0.00 -2.43 -0.31 0.43 0.04 0.00 0.00 177.00 174.73 2dks n SER 128 N 11.86 1.94 0.25 6.66 7.64 -1.26 -4.33 113.62 136.38 2dks n SER 128 Ca 0.21 0.36 0.13 0.00 1.01 0.00 0.00 58.87 60.58 2dks n SER 128 Cb 0.50 -0.80 0.71 0.00 -1.01 0.00 0.00 64.21 63.61 2dks n SER 128 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dks h SER 129 N -1.00 0.00 0.00 6.43 4.64 -2.05 -3.56 113.55 118.01 2dks h SER 129 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2dks h SER 129 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2dks h SER 129 CO -0.23 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.34