#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 -0.21 -0.49 1.61 0.01 -1.26 -5.10 113.70 108.27 2dks s SER 2 Ca 0.00 0.28 -0.44 0.00 1.31 0.00 0.00 55.95 57.11 2dks s SER 2 Cb 0.00 0.43 -0.19 0.00 0.21 0.00 0.00 66.02 66.48 2dks s SER 2 CO 0.00 -0.27 1.91 -1.54 0.41 0.00 0.00 173.24 173.75 2dks n SER 3 N 2.08 0.87 -2.86 2.44 3.41 -1.26 -4.85 113.62 113.44 2dks n SER 3 Ca -0.18 0.82 -0.10 0.00 -0.26 0.00 0.00 58.87 59.15 2dks n SER 3 Cb 0.57 -0.87 0.01 0.00 -0.26 0.00 0.00 64.21 63.66 2dks n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dks n GLY 4 N 6.22 0.35 2.95 5.00 0.00 -1.26 -5.09 105.19 113.36 2dks n GLY 4 Ca 0.46 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.61 4.54 -1.04 1.61 1.04 -1.26 -5.04 113.70 112.93 2dks s SER 5 Ca 0.32 -1.95 -0.06 0.00 0.48 0.00 0.00 55.95 54.74 2dks s SER 5 Cb 0.13 -1.43 0.26 0.00 0.10 0.00 0.00 66.02 65.08 2dks s SER 5 CO -0.16 -0.37 1.00 -1.54 0.98 0.00 0.00 173.24 173.15 2dks n SER 6 N 4.42 5.05 0.00 7.02 3.41 -1.26 -4.91 113.62 127.35 2dks n SER 6 Ca 0.01 -3.08 0.00 0.00 -0.26 0.00 0.00 58.87 55.54 2dks n SER 6 Cb 0.42 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 2dks n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dks n GLY 7 N 2.51 0.87 2.58 5.00 0.00 -1.26 -4.87 105.19 110.01 2dks n GLY 7 Ca 0.23 0.36 -0.36 0.00 0.00 0.00 0.00 46.02 46.25 2dks n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dks n THR 8 N 0.00 1.50 -3.86 2.61 -2.24 -1.26 -4.97 114.28 106.06 2dks n THR 8 Ca 0.00 -0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 61.28 2dks n THR 8 Cb 0.00 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 2dks n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dks s ALA 9 N -0.75 -0.07 -0.18 6.98 0.00 -1.26 -4.99 121.76 121.49 2dks s ALA 9 Ca 0.49 0.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.39 2dks s ALA 9 Cb -0.71 -0.04 0.06 0.00 0.00 0.00 0.00 23.12 22.42 2dks s ALA 9 CO 0.42 -0.02 0.46 1.14 0.00 0.00 0.00 175.76 177.76 2dks s GLN 10 N -0.01 0.48 -0.38 0.00 -2.07 -1.26 -5.10 119.66 111.32 2dks s GLN 10 Ca -0.00 0.77 -0.39 0.00 -1.82 0.00 0.00 55.36 53.92 2dks s GLN 10 Cb -0.00 0.10 -0.14 0.00 -1.09 0.00 0.00 33.01 31.87 2dks s GLN 10 CO 0.00 -0.12 2.06 -0.11 -1.32 0.00 0.00 175.29 175.80 2dks n LEU 11 N 3.71 1.81 0.00 2.60 7.94 -1.25 -4.59 117.00 127.23 2dks n LEU 11 Ca -0.19 0.65 -0.21 0.00 -1.11 0.00 0.00 56.01 55.15 2dks n LEU 11 Cb 0.56 -1.13 -0.06 0.00 0.53 0.00 0.00 43.42 43.32 2dks n LEU 11 CO 0.08 -0.67 -0.13 1.07 -1.11 0.00 0.00 177.39 176.63 2dks n THR 12 N 6.36 0.00 -3.90 1.96 5.66 -0.94 -4.67 114.28 118.74 2dks n THR 12 Ca 0.41 -2.05 -0.10 0.00 -3.05 0.00 0.00 64.05 59.26 2dks n THR 12 Cb 0.13 0.80 -0.09 0.00 -1.55 0.00 0.00 70.33 69.61 2dks n THR 12 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2dks s ILE 13 N -2.93 0.11 -0.00 1.09 1.01 -1.26 -2.05 121.20 117.17 2dks s ILE 13 Ca 0.21 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.96 2dks s ILE 13 Cb 0.01 -0.69 -0.00 0.00 0.01 0.00 0.00 42.46 41.79 2dks s ILE 13 CO 0.15 -0.50 -0.03 -0.70 0.00 0.00 0.00 174.94 173.86 2dks s GLU 14 N -2.09 0.27 -0.18 2.79 2.56 -0.36 -4.90 118.70 116.79 2dks s GLU 14 Ca -0.09 -0.10 -0.19 0.00 0.00 0.00 0.00 54.97 54.59 2dks s GLU 14 Cb -0.04 -0.27 -0.03 0.00 2.00 0.00 0.00 34.13 35.79 2dks s GLU 14 CO -0.02 0.05 0.53 0.00 -0.56 0.00 0.00 175.26 175.26 2dks s ALA 15 N 0.01 3.53 -0.25 6.30 0.00 -1.26 0.10 121.76 130.17 2dks s ALA 15 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 2dks s ALA 15 Cb -0.02 -2.81 0.08 0.00 0.00 0.00 0.00 23.12 20.37 2dks s ALA 15 CO -0.00 -0.37 0.03 0.08 0.00 0.00 0.00 175.76 175.49 2dks s VAL 16 N 1.48 1.09 0.77 0.00 1.01 -0.35 -2.05 120.40 122.36 2dks s VAL 16 Ca 0.25 -1.17 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 2dks s VAL 16 Cb -0.15 -1.60 0.19 0.00 0.00 0.00 0.00 36.38 34.82 2dks s VAL 16 CO 0.10 -0.35 0.69 -0.81 0.00 0.00 0.00 175.10 174.73 2dks n PRO 17 N 4.80 -2.36 0.09 2.72 -0.04 -1.26 -0.16 135.00 138.80 2dks n PRO 17 Ca -0.07 -1.10 0.01 0.00 -0.04 0.00 0.00 63.50 62.30 2dks n PRO 17 Cb 0.44 -1.03 -0.02 0.00 -0.04 0.00 0.00 33.50 32.85 2dks n PRO 17 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dks h SER 18 N -2.09 0.00 -2.11 3.54 0.87 -1.80 -3.44 113.55 108.52 2dks h SER 18 Ca -0.26 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.06 2dks h SER 18 Cb 0.79 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.43 2dks h SER 18 CO 0.17 0.54 -0.56 0.54 -0.53 0.00 0.00 176.83 176.98 2dks s ASN 19 N -6.16 0.88 0.27 6.23 2.20 -1.26 -3.27 114.94 113.83 2dks s ASN 19 Ca 0.01 -0.17 0.06 0.00 -0.94 0.00 0.00 52.86 51.82 2dks s ASN 19 Cb 0.08 0.78 -0.03 0.00 -2.00 0.00 0.00 41.25 40.08 2dks s ASN 19 CO 0.78 -0.33 0.34 0.00 -2.94 0.00 0.00 177.10 174.94 2dks s ALA 20 N 2.44 3.91 0.52 3.54 0.00 -1.00 -4.93 121.76 126.24 2dks s ALA 20 Ca 0.10 -1.36 0.04 0.00 0.00 0.00 0.00 51.96 50.74 2dks s ALA 20 Cb -0.15 -1.57 0.03 0.00 0.00 0.00 0.00 23.12 21.44 2dks s ALA 20 CO -0.20 0.16 0.72 0.00 0.00 0.00 0.00 175.76 176.44 2dks s ALA 21 N -2.09 4.16 -0.10 0.00 0.00 -1.26 -1.94 121.76 120.54 2dks s ALA 21 Ca 0.37 -1.53 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 2dks s ALA 21 Cb -0.09 -1.87 -0.08 0.00 0.00 0.00 0.00 23.12 21.08 2dks s ALA 21 CO 0.28 -0.63 2.09 0.39 0.00 0.00 0.00 175.76 177.89 2dks n GLU 22 N -2.19 2.36 0.00 0.00 1.02 -1.25 -0.94 120.64 119.65 2dks n GLU 22 Ca 0.09 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 2dks n GLU 22 Cb 0.60 -3.07 0.00 0.00 -0.02 0.00 0.00 31.44 28.95 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 5.15 0.53 4.00 0.62 0.00 -0.25 -4.98 105.19 110.26 2dks n GLY 23 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.04 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 1.59 0.19 1.61 -0.14 -0.11 -4.27 119.74 117.88 2dks s LYS 24 Ca 0.00 -1.19 0.11 0.00 -1.36 0.00 0.00 55.97 53.53 2dks s LYS 24 Cb 0.00 -2.33 -0.04 0.00 -1.68 0.00 0.00 37.83 33.78 2dks s LYS 24 CO 0.00 -1.51 -0.22 -1.21 -0.76 0.00 0.00 175.35 171.65 2dks s GLU 25 N -5.16 1.61 -0.06 1.68 8.01 -1.26 -0.59 118.70 122.92 2dks s GLU 25 Ca 0.67 -1.49 -0.01 0.00 0.01 0.00 0.00 54.97 54.15 2dks s GLU 25 Cb -0.05 -1.89 0.03 0.00 -4.31 0.00 0.00 34.13 27.91 2dks s GLU 25 CO 0.45 0.40 0.01 0.08 0.01 0.00 0.00 175.26 176.21 2dks s VAL 26 N -1.69 0.29 -0.46 2.63 1.01 0.87 -4.44 120.40 118.61 2dks s VAL 26 Ca 0.22 0.16 -0.16 0.00 0.00 0.00 0.00 61.98 62.20 2dks s VAL 26 Cb -0.08 -0.45 0.06 0.00 0.00 0.00 0.00 36.38 35.91 2dks s VAL 26 CO 0.11 0.23 0.39 -0.22 0.00 0.00 0.00 175.10 175.61 2dks s LEU 27 N 1.86 5.41 -0.75 3.92 2.96 0.78 -0.24 118.68 132.62 2dks s LEU 27 Ca 0.03 -1.16 -0.25 0.00 -0.22 0.00 0.00 54.13 52.54 2dks s LEU 27 Cb -0.12 -2.20 0.05 0.00 0.50 0.00 0.00 46.19 44.42 2dks s LEU 27 CO -0.04 -0.60 1.18 -0.76 -1.32 0.00 0.00 176.35 174.80 2dks s LEU 28 N 1.73 3.74 0.74 -0.68 1.43 -0.54 -1.21 118.68 123.89 2dks s LEU 28 Ca 0.05 -0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 52.21 2dks s LEU 28 Cb -0.22 -2.50 0.03 0.00 0.03 0.00 0.00 46.19 43.53 2dks s LEU 28 CO 0.08 -1.62 1.07 -0.76 0.23 0.00 0.00 176.35 175.36 2dks s LEU 29 N 4.89 2.93 -0.13 1.79 1.43 0.11 -2.79 118.68 126.92 2dks s LEU 29 Ca 0.31 1.53 -0.01 0.00 -1.03 0.00 0.00 54.13 54.94 2dks s LEU 29 Cb -0.10 -4.30 0.03 0.00 0.03 0.00 0.00 46.19 41.85 2dks s LEU 29 CO 0.09 -1.69 -0.06 -0.69 0.23 0.00 0.00 176.35 174.24 2dks s VAL 30 N -3.06 0.99 0.38 -1.59 1.01 -1.26 -1.22 120.40 115.64 2dks s VAL 30 Ca 0.59 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 62.25 2dks s VAL 30 Cb -0.14 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 2dks s VAL 30 CO 0.55 0.25 0.39 -1.00 0.00 0.00 0.00 175.10 175.29 2dks s HIS 31 N 1.70 2.83 -1.42 5.22 0.09 -0.87 -4.48 115.29 118.37 2dks s HIS 31 Ca 0.03 -0.38 0.00 0.00 -0.00 0.00 0.00 55.06 54.71 2dks s HIS 31 Cb -0.14 -2.07 0.00 0.00 -0.00 0.00 0.00 32.58 30.38 2dks s HIS 31 CO -0.08 -0.06 0.00 0.09 -0.00 0.00 0.00 174.74 174.69 2dks n ASN 32 N -1.55 -4.35 -4.36 1.40 3.02 -1.26 -2.21 115.26 105.94 2dks n ASN 32 Ca 0.02 0.22 -0.33 0.00 -0.03 0.00 0.00 54.58 54.46 2dks n ASN 32 Cb 0.60 -3.78 0.12 0.00 -0.61 0.00 0.00 39.78 36.11 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 -2.54 -0.98 0.00 3.41 4.77 -1.26 -3.77 117.00 116.64 2dks n LEU 33 Ca -0.17 0.27 -0.04 0.00 -0.03 0.00 0.00 56.01 56.04 2dks n LEU 33 Cb 0.58 -1.14 0.03 0.00 -2.33 0.00 0.00 43.42 40.57 2dks n LEU 33 CO 0.22 -3.79 0.08 -0.81 -1.33 0.00 0.00 177.39 171.75 2dks n PRO 34 N -1.33 -1.29 -0.08 3.23 -0.04 -1.26 -4.98 135.00 129.25 2dks n PRO 34 Ca 0.05 -0.22 -0.11 0.00 -0.04 0.00 0.00 63.50 63.18 2dks n PRO 34 Cb 0.55 -0.21 -0.06 0.00 -0.04 0.00 0.00 33.50 33.74 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 -3.02 0.54 3.07 -1.99 -3.44 115.11 110.28 2dks h GLN 35 Ca -0.05 0.00 -0.62 0.00 0.09 0.00 0.00 58.65 58.07 2dks h GLN 35 Cb 0.16 0.00 -0.41 0.00 0.08 0.00 0.00 27.48 27.31 2dks h GLN 35 CO 0.03 0.47 -0.70 -0.51 0.09 0.00 0.00 178.83 178.22 2dks s ASP 36 N -6.17 3.83 -1.19 0.06 1.01 -1.26 -5.04 116.67 107.90 2dks s ASP 36 Ca -0.18 -3.10 -0.23 0.00 0.71 0.00 0.00 52.55 49.75 2dks s ASP 36 Cb 0.03 -1.25 -0.09 0.00 1.01 0.00 0.00 42.92 42.62 2dks s ASP 36 CO 0.38 -0.20 1.93 -2.16 0.21 0.00 0.00 175.17 175.33 2dks s PRO 37 N -0.31 2.49 0.48 8.23 0.04 -1.26 -1.23 135.00 143.45 2dks s PRO 37 Ca 0.21 -1.18 0.42 0.00 0.04 0.00 0.00 61.00 60.49 2dks s PRO 37 Cb -0.16 -5.25 1.55 0.00 0.04 0.00 0.00 34.50 30.69 2dks s PRO 37 CO -0.07 -4.00 1.46 -2.13 0.04 0.00 0.00 177.00 172.31 2dks n ARG 38 N 8.27 -0.01 0.00 4.56 0.63 0.59 -4.50 116.66 126.21 2dks n ARG 38 Ca 0.45 1.07 0.00 0.00 -0.92 0.00 0.00 57.85 58.45 2dks n ARG 38 Cb 0.47 -2.34 0.00 0.00 0.45 0.00 0.00 32.46 31.04 2dks n ARG 38 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2dks n GLY 39 N -1.73 1.21 3.85 5.14 0.00 -1.09 -1.72 105.19 110.85 2dks n GLY 39 Ca 0.41 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 3.35 -0.25 1.61 2.02 0.10 -0.32 117.35 121.86 2dks s TYR 40 Ca 0.00 0.15 -0.02 0.00 -0.37 0.00 0.00 57.07 56.82 2dks s TYR 40 Cb 0.00 -1.68 0.11 0.00 -0.40 0.00 0.00 41.96 40.00 2dks s TYR 40 CO 0.00 0.55 0.25 -0.80 -1.57 0.00 0.00 175.55 173.98 2dks s ASN 41 N -2.54 1.66 0.20 2.29 -0.87 0.10 -0.81 114.94 114.97 2dks s ASN 41 Ca 0.32 -0.53 -0.12 0.00 -1.57 0.00 0.00 52.86 50.96 2dks s ASN 41 Cb -0.12 0.40 -0.07 0.00 -0.02 0.00 0.00 41.25 41.43 2dks s ASN 41 CO 0.25 -0.36 0.57 0.26 -2.57 0.00 0.00 177.10 175.25 2dks s TRP 42 N 2.33 3.50 0.32 2.20 0.52 -0.51 -0.59 118.94 126.70 2dks s TRP 42 Ca 0.08 0.99 0.06 0.00 0.02 0.00 0.00 56.10 57.26 2dks s TRP 42 Cb -0.15 -2.34 -0.03 0.00 -1.15 0.00 0.00 33.47 29.80 2dks s TRP 42 CO -0.23 0.32 0.27 0.71 0.02 0.00 0.00 176.95 178.04 2dks s TYR 43 N -1.68 1.68 -0.06 -1.98 1.51 0.11 -2.04 117.35 114.89 2dks s TYR 43 Ca 0.44 -1.63 0.05 0.00 -1.01 0.00 0.00 57.07 54.92 2dks s TYR 43 Cb -0.13 -0.68 -0.02 0.00 -0.11 0.00 0.00 41.96 41.02 2dks s TYR 43 CO 0.20 -0.85 -0.20 0.21 -1.11 0.00 0.00 175.55 173.80 2dks s LYS 44 N -3.51 2.61 0.00 -0.62 2.20 -1.21 -3.06 119.74 116.14 2dks s LYS 44 Ca 0.40 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 55.21 2dks s LYS 44 Cb 0.03 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 34.05 2dks s LYS 44 CO 0.26 0.46 0.00 0.41 -0.36 0.00 0.00 175.35 176.12 2dks n GLY 45 N 2.76 0.23 0.55 5.54 0.00 0.15 -4.68 105.19 109.74 2dks n GLY 45 Ca -0.17 -2.08 0.06 0.00 0.00 0.00 0.00 46.02 43.83 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 1.56 -3.68 1.61 1.02 -1.26 -2.10 120.64 117.79 2dks n GLU 46 Ca 0.00 -3.24 0.01 0.00 -0.02 0.00 0.00 57.16 53.91 2dks n GLU 46 Cb 0.00 -1.61 -0.00 0.00 -0.02 0.00 0.00 31.44 29.81 2dks n GLU 46 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2dks s THR 47 N -3.21 0.00 -0.41 2.62 -1.32 -1.26 -5.00 115.64 107.06 2dks s THR 47 Ca 0.37 -0.30 -0.27 0.00 -1.21 0.00 0.00 61.69 60.27 2dks s THR 47 Cb 0.36 -2.10 -0.03 0.00 -1.51 0.00 0.00 72.50 69.22 2dks s THR 47 CO -0.06 0.00 1.96 -0.69 -2.21 0.00 0.00 174.62 173.62 2dks s VAL 48 N -2.53 3.31 -0.35 5.08 1.01 -1.26 -4.72 120.40 120.95 2dks s VAL 48 Ca 0.15 0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.44 2dks s VAL 48 Cb 0.03 -3.54 0.10 0.00 0.00 0.00 0.00 36.38 32.97 2dks s VAL 48 CO -0.02 -0.42 0.06 -1.81 0.00 0.00 0.00 175.10 172.91 2dks s ASP 49 N 7.83 4.82 0.55 3.32 1.01 -1.26 -4.95 116.67 127.98 2dks s ASP 49 Ca 0.82 -2.12 0.31 0.00 0.71 0.00 0.00 52.55 52.27 2dks s ASP 49 Cb -0.21 -1.65 1.62 0.00 1.01 0.00 0.00 42.92 43.70 2dks s ASP 49 CO 0.29 -0.39 2.12 0.00 0.21 0.00 0.00 175.17 177.40 2dks h ALA 50 N 7.67 1.21 0.00 5.23 0.00 -1.97 -1.27 119.26 130.12 2dks h ALA 50 Ca -0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2dks h ALA 50 Cb 1.02 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2dks h ALA 50 CO 0.54 0.09 -0.08 -0.91 0.00 0.00 0.00 179.25 178.89 2dks h ASN 51 N 0.00 0.00 -0.18 0.00 -0.26 -1.99 -3.12 115.58 110.04 2dks h ASN 51 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2dks h ASN 51 Cb 0.29 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 2dks h ASN 51 CO 0.01 0.08 0.00 0.54 -1.06 0.00 0.00 177.43 177.00 2dks n ARG 52 N -3.14 2.42 -1.53 0.81 5.12 -0.54 -4.48 116.66 115.32 2dks n ARG 52 Ca 0.03 -2.67 -0.38 0.00 -1.93 0.00 0.00 57.85 52.90 2dks n ARG 52 Cb 0.49 -1.67 -0.09 0.00 -1.16 0.00 0.00 32.46 30.02 2dks n ARG 52 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2dks n ARG 53 N -0.73 0.52 0.25 5.56 0.63 -0.83 -3.36 116.66 118.71 2dks n ARG 53 Ca 0.18 -0.02 -0.16 0.00 -0.92 0.00 0.00 57.85 56.93 2dks n ARG 53 Cb 0.76 -2.50 -0.08 0.00 0.45 0.00 0.00 32.46 31.10 2dks n ARG 53 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2dks h ILE 54 N 7.83 0.42 -1.59 5.15 2.04 -1.59 -2.98 117.51 126.79 2dks h ILE 54 Ca -0.14 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.79 2dks h ILE 54 Cb 1.28 0.42 -0.25 0.00 -0.74 0.00 0.00 36.82 37.53 2dks h ILE 54 CO 1.27 0.00 0.49 -0.51 0.00 0.00 0.00 178.15 179.40 2dks s ILE 55 N -6.06 0.00 -0.06 -0.67 2.07 -1.20 -3.08 121.20 112.20 2dks s ILE 55 Ca -0.17 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.10 2dks s ILE 55 Cb 0.05 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.65 2dks s ILE 55 CO 0.63 0.00 -0.11 -0.83 -1.91 0.00 0.00 174.94 172.73 2dks s GLY 56 N -0.33 0.71 -0.03 1.50 0.00 -1.02 -1.43 107.32 106.73 2dks s GLY 56 Ca 0.01 -0.34 0.06 0.00 0.00 0.00 0.00 44.72 44.45 2dks s GLY 56 CO -0.03 0.15 -0.21 -0.47 0.00 0.00 0.00 173.10 172.53 2dks s TYR 57 N 0.65 1.95 -0.21 1.90 5.04 0.01 -0.62 117.35 126.07 2dks s TYR 57 Ca -0.13 -0.42 -0.03 0.00 -2.44 0.00 0.00 57.07 54.05 2dks s TYR 57 Cb -0.15 -1.27 -0.00 0.00 0.35 0.00 0.00 41.96 40.89 2dks s TYR 57 CO 0.03 -0.07 -0.07 0.08 -1.34 0.00 0.00 175.55 174.17 2dks s VAL 58 N -0.39 3.15 0.11 3.14 1.01 0.42 0.01 120.40 127.85 2dks s VAL 58 Ca 0.05 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 2dks s VAL 58 Cb -0.09 -2.41 -0.14 0.00 0.00 0.00 0.00 36.38 33.74 2dks s VAL 58 CO 0.00 0.45 1.33 0.40 0.00 0.00 0.00 175.10 177.28 2dks h ILE 59 N 5.72 1.28 -0.90 2.22 2.04 -1.56 1.73 117.51 128.04 2dks h ILE 59 Ca -0.41 -1.89 0.16 0.00 1.00 0.00 0.00 64.86 63.71 2dks h ILE 59 Cb 1.16 1.89 -0.07 0.00 -0.74 0.00 0.00 36.82 39.06 2dks h ILE 59 CO 0.61 0.61 0.58 0.77 0.00 0.00 0.00 178.15 180.71 2dks h SER 60 N 0.56 0.63 0.00 1.72 4.64 -1.83 -2.06 113.55 117.21 2dks h SER 60 Ca -0.03 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2dks h SER 60 Cb 1.33 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2dks h SER 60 CO 0.15 0.30 -0.00 -3.20 -0.87 0.00 0.00 176.83 173.21 2dks n ASN 61 N -4.57 1.97 -3.97 4.97 5.15 -1.20 -4.99 115.26 112.62 2dks n ASN 61 Ca 0.18 -2.14 -0.32 0.00 -0.60 0.00 0.00 54.58 51.70 2dks n ASN 61 Cb 0.51 -0.07 -0.07 0.00 -0.53 0.00 0.00 39.78 39.62 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 -0.63 -0.82 -4.18 1.20 6.02 0.58 -4.88 117.38 114.67 2dks n GLN 62 Ca 0.03 0.10 -0.31 0.00 -0.01 0.00 0.00 57.00 56.80 2dks n GLN 62 Cb 0.32 -3.55 -0.08 0.00 1.02 0.00 0.00 30.24 27.95 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 -6.20 2.74 -0.15 -1.09 0.74 -0.40 -4.90 119.66 110.40 2dks s GLN 63 Ca 0.48 -0.69 0.02 0.00 0.05 0.00 0.00 55.36 55.22 2dks s GLN 63 Cb -0.28 -2.65 0.01 0.00 1.10 0.00 0.00 33.01 31.19 2dks s GLN 63 CO 0.83 0.59 -0.20 0.42 -0.55 0.00 0.00 175.29 176.38 2dks s ILE 64 N -1.22 2.21 -0.34 -2.34 1.01 -1.26 -0.43 121.20 118.83 2dks s ILE 64 Ca 0.23 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.97 2dks s ILE 64 Cb -0.12 -1.90 0.11 0.00 0.01 0.00 0.00 42.46 40.56 2dks s ILE 64 CO 0.15 0.54 0.12 -0.89 0.00 0.00 0.00 174.94 174.86 2dks s THR 65 N 0.90 1.22 0.35 2.92 2.01 0.21 -5.02 115.64 118.23 2dks s THR 65 Ca -0.05 -1.79 -0.27 0.00 0.31 0.00 0.00 61.69 59.89 2dks s THR 65 Cb -0.15 -1.91 -0.09 0.00 0.01 0.00 0.00 72.50 70.36 2dks s THR 65 CO -0.03 -0.71 1.21 -2.16 -0.69 0.00 0.00 174.62 172.24 2dks s PRO 66 N 1.25 4.26 0.00 4.92 0.04 -1.26 -2.42 135.00 141.79 2dks s PRO 66 Ca 0.12 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2dks s PRO 66 Cb -0.19 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.44 2dks s PRO 66 CO -0.17 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.09 2dks n GLY 67 N 0.80 1.18 0.18 0.56 0.00 -1.13 -4.93 105.19 101.85 2dks n GLY 67 Ca 0.02 -1.98 -0.02 0.00 0.00 0.00 0.00 46.02 44.05 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 0.16 -1.27 1.61 0.13 -1.83 -3.04 132.00 127.76 2dks h PRO 68 Ca 0.00 -0.08 -0.11 0.00 -0.87 0.00 0.00 66.00 64.94 2dks h PRO 68 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.08 2dks h PRO 68 CO 0.00 0.60 0.14 0.00 -0.23 0.00 0.00 178.00 178.51 2dks n ALA 69 N -2.46 3.54 -2.72 -0.56 0.00 -1.18 -4.85 120.51 112.28 2dks n ALA 69 Ca -0.02 -0.58 -0.35 0.00 0.00 0.00 0.00 53.44 52.50 2dks n ALA 69 Cb 0.51 -1.10 -0.10 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 -0.65 3.17 0.00 0.00 5.04 -1.15 -4.27 117.35 119.48 2dks s TYR 70 Ca 0.11 0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.90 2dks s TYR 70 Cb 0.09 -1.82 0.00 0.00 0.35 0.00 0.00 41.96 40.58 2dks s TYR 70 CO 0.01 0.42 0.81 -1.13 -1.34 0.00 0.00 175.55 174.33 2dks n SER 71 N 2.32 1.30 -2.94 4.32 3.41 -1.26 -5.00 113.62 115.77 2dks n SER 71 Ca -0.18 -1.64 -0.21 0.00 -0.26 0.00 0.00 58.87 56.58 2dks n SER 71 Cb 0.53 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.53 2dks n SER 71 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2dks n ASN 72 N -0.32 -5.77 0.00 4.04 3.02 -1.26 -4.87 115.26 110.11 2dks n ASN 72 Ca 0.00 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 2dks n ASN 72 Cb 0.33 -4.50 0.00 0.00 -0.61 0.00 0.00 39.78 34.99 2dks n ASN 72 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2dks n ARG 73 N -4.03 2.29 -3.60 3.52 1.74 -1.26 -5.06 116.66 110.27 2dks n ARG 73 Ca -0.06 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.69 2dks n ARG 73 Cb 0.59 -0.87 -0.05 0.00 -1.02 0.00 0.00 32.46 31.11 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 -1.60 3.72 -0.05 5.56 8.01 -1.26 -3.25 118.70 129.82 2dks s GLU 74 Ca 0.00 0.10 0.01 0.00 0.01 0.00 0.00 54.97 55.08 2dks s GLU 74 Cb 0.00 -2.93 0.02 0.00 -4.31 0.00 0.00 34.13 26.92 2dks s GLU 74 CO 0.00 0.51 -0.04 0.99 0.01 0.00 0.00 175.26 176.73 2dks s THR 75 N -1.51 0.56 0.85 3.63 2.01 -0.94 -4.96 115.64 115.28 2dks s THR 75 Ca 0.36 -0.10 -0.12 0.00 0.31 0.00 0.00 61.69 62.14 2dks s THR 75 Cb -0.13 -0.61 0.10 0.00 0.01 0.00 0.00 72.50 71.87 2dks s THR 75 CO 0.20 0.25 1.13 -0.63 -0.69 0.00 0.00 174.62 174.88 2dks s ILE 76 N 1.15 2.39 0.13 1.82 1.09 -1.26 -0.63 121.20 125.89 2dks s ILE 76 Ca -0.07 0.13 0.03 0.00 -1.10 0.00 0.00 60.65 59.63 2dks s ILE 76 Cb -0.14 -2.94 -0.04 0.00 -1.06 0.00 0.00 42.46 38.28 2dks s ILE 76 CO -0.01 -0.17 -0.07 -0.31 -0.10 0.00 0.00 174.94 174.28 2dks s TYR 77 N -3.30 1.11 -2.00 3.97 1.51 0.15 -4.85 117.35 113.94 2dks s TYR 77 Ca 0.62 -0.87 0.12 0.00 -1.01 0.00 0.00 57.07 55.93 2dks s TYR 77 Cb -0.14 -0.61 0.73 0.00 -0.11 0.00 0.00 41.96 41.84 2dks s TYR 77 CO 0.53 -0.07 1.16 -0.35 -1.11 0.00 0.00 175.55 175.71 2dks n PRO 78 N -0.15 0.49 -0.07 -1.71 -0.04 -1.26 -1.92 135.00 130.35 2dks n PRO 78 Ca -0.10 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.43 2dks n PRO 78 Cb 0.61 -1.39 0.10 0.00 -0.04 0.00 0.00 33.50 32.78 2dks n PRO 78 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2dks n ASN 79 N -0.89 2.32 -0.70 3.54 3.02 -1.26 -4.95 115.26 116.34 2dks n ASN 79 Ca 0.09 -2.73 -0.07 0.00 -0.03 0.00 0.00 54.58 51.84 2dks n ASN 79 Cb 0.04 -0.30 -0.02 0.00 -0.61 0.00 0.00 39.78 38.90 2dks n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dks n ALA 80 N -1.07 -0.17 -2.86 5.41 0.00 -0.81 -4.50 120.51 116.52 2dks n ALA 80 Ca 0.11 0.09 -0.26 0.00 0.00 0.00 0.00 53.44 53.38 2dks n ALA 80 Cb 0.53 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.79 5.84 -0.09 0.00 0.01 -1.25 -4.70 113.70 110.72 2dks s SER 81 Ca 0.00 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.26 2dks s SER 81 Cb 0.00 -1.63 0.02 0.00 0.21 0.00 0.00 66.02 64.62 2dks s SER 81 CO 0.00 0.06 -0.10 -0.22 0.41 0.00 0.00 173.24 173.39 2dks s LEU 82 N -3.16 1.46 -0.40 2.44 2.96 -1.12 0.32 118.68 121.17 2dks s LEU 82 Ca 0.32 -0.31 -0.16 0.00 -0.22 0.00 0.00 54.13 53.77 2dks s LEU 82 Cb -0.10 -0.85 0.01 0.00 0.50 0.00 0.00 46.19 45.75 2dks s LEU 82 CO 0.25 -0.03 0.35 -0.22 -1.32 0.00 0.00 176.35 175.38 2dks s LEU 83 N 1.14 4.91 -0.16 -0.68 2.96 0.20 -1.47 118.68 125.58 2dks s LEU 83 Ca -0.05 -0.72 -0.20 0.00 -0.22 0.00 0.00 54.13 52.93 2dks s LEU 83 Cb -0.14 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 2dks s LEU 83 CO -0.02 -0.46 0.58 -0.32 -1.32 0.00 0.00 176.35 174.81 2dks s MET 84 N 1.87 4.28 0.14 1.98 -2.45 0.67 -2.22 119.30 123.56 2dks s MET 84 Ca 0.08 0.58 0.06 0.00 -1.25 0.00 0.00 55.69 55.17 2dks s MET 84 Cb -0.18 -3.52 -0.04 0.00 1.25 0.00 0.00 34.83 32.34 2dks s MET 84 CO 0.11 -0.08 0.01 1.03 1.05 0.00 0.00 175.02 177.14 2dks s ARG 85 N 1.36 2.48 -1.49 4.11 0.52 -1.20 -0.09 118.95 124.64 2dks s ARG 85 Ca 0.29 -0.98 -0.11 0.00 -0.52 0.00 0.00 55.73 54.40 2dks s ARG 85 Cb -0.16 -2.45 0.07 0.00 0.52 0.00 0.00 34.95 32.93 2dks s ARG 85 CO 0.11 0.49 0.93 0.09 0.02 0.00 0.00 175.30 176.95 2dks n ASN 86 N 0.16 -4.11 -4.57 0.23 3.02 -0.92 -4.89 115.26 104.18 2dks n ASN 86 Ca -0.10 -0.79 -0.36 0.00 -0.03 0.00 0.00 54.58 53.30 2dks n ASN 86 Cb 0.54 -3.92 0.08 0.00 -0.61 0.00 0.00 39.78 35.86 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 -4.62 2.63 -4.19 2.41 0.24 0.24 -4.49 118.33 110.56 2dks n VAL 87 Ca -0.03 -0.40 -0.11 0.00 -2.04 0.00 0.00 64.34 61.76 2dks n VAL 87 Cb 0.56 -0.99 -0.10 0.00 -1.47 0.00 0.00 33.84 31.83 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 -1.80 0.28 0.62 3.34 -4.23 -1.26 -1.09 115.64 111.50 2dks s THR 88 Ca 0.71 -1.95 0.34 0.00 -1.18 0.00 0.00 61.69 59.62 2dks s THR 88 Cb -0.36 -2.16 0.38 0.00 1.34 0.00 0.00 72.50 71.70 2dks s THR 88 CO 0.52 -0.38 2.21 0.08 -0.54 0.00 0.00 174.62 176.51 2dks h ARG 89 N 2.76 0.00 -0.08 3.99 0.11 -1.95 -1.80 114.38 117.40 2dks h ARG 89 Ca -0.36 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.64 2dks h ARG 89 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2dks h ARG 89 CO 0.60 0.00 -0.26 -0.97 0.10 0.00 0.00 179.97 179.43 2dks h ASN 90 N 0.00 0.37 -1.20 0.08 -1.24 -1.95 -3.17 115.58 108.47 2dks h ASN 90 Ca 0.03 -0.62 0.35 0.00 0.71 0.00 0.00 56.30 56.77 2dks h ASN 90 Cb 0.22 -0.11 -0.10 0.00 0.73 0.00 0.00 38.32 39.06 2dks h ASN 90 CO -0.00 0.92 0.78 0.44 -1.29 0.00 0.00 177.43 178.28 2dks h ASP 91 N -0.17 0.30 -1.58 1.15 3.32 -1.73 -3.41 116.42 114.31 2dks h ASP 91 Ca -0.01 0.10 -0.73 0.00 0.02 0.00 0.00 57.03 56.41 2dks h ASP 91 Cb 0.89 0.06 0.02 0.00 0.22 0.00 0.00 39.33 40.52 2dks h ASP 91 CO 0.06 -0.04 0.85 0.41 -1.72 0.00 0.00 179.24 178.80 2dks n THR 92 N -4.60 0.28 0.00 0.35 -1.04 -1.20 -4.49 114.28 103.58 2dks n THR 92 Ca 0.31 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 2dks n THR 92 Cb 1.18 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 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 3.99 -1.37 3.47 3.41 0.00 -1.26 -5.05 105.19 108.38 2dks n GLY 93 Ca 0.25 0.64 -0.15 0.00 0.00 0.00 0.00 46.02 46.76 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 -0.57 -0.10 1.61 0.01 -1.26 -4.82 113.70 104.56 2dks s SER 94 Ca 0.00 0.83 -0.03 0.00 1.31 0.00 0.00 55.95 58.06 2dks s SER 94 Cb 0.00 0.80 0.05 0.00 0.21 0.00 0.00 66.02 67.08 2dks s SER 94 CO 0.00 -0.42 0.09 -0.31 0.41 0.00 0.00 173.24 173.01 2dks s TYR 95 N -0.57 0.08 -0.17 2.43 1.51 -0.89 -0.67 117.35 119.07 2dks s TYR 95 Ca -0.07 0.05 -0.11 0.00 -1.01 0.00 0.00 57.07 55.93 2dks s TYR 95 Cb -0.03 -0.55 -0.05 0.00 -0.11 0.00 0.00 41.96 41.23 2dks s TYR 95 CO 0.05 -0.35 0.19 0.99 -1.11 0.00 0.00 175.55 175.33 2dks s THR 96 N 2.17 5.38 -0.19 -0.71 2.01 -1.17 -0.79 115.64 122.35 2dks s THR 96 Ca 0.04 0.33 0.01 0.00 0.31 0.00 0.00 61.69 62.37 2dks s THR 96 Cb -0.14 -3.52 0.03 0.00 0.01 0.00 0.00 72.50 68.89 2dks s THR 96 CO -0.06 0.46 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.98 2dks s LEU 97 N 0.10 2.18 -0.19 4.42 1.98 -1.02 0.05 118.68 126.20 2dks s LEU 97 Ca 0.12 -0.77 -0.06 0.00 -2.89 0.00 0.00 54.13 50.54 2dks s LEU 97 Cb -0.12 -1.29 -0.03 0.00 0.66 0.00 0.00 46.19 45.41 2dks s LEU 97 CO 0.01 -0.10 0.02 -1.58 -1.89 0.00 0.00 176.35 172.82 2dks s GLN 98 N 1.38 3.78 -0.17 1.98 0.74 0.24 -3.03 119.66 124.58 2dks s GLN 98 Ca 0.01 -0.44 -0.03 0.00 0.05 0.00 0.00 55.36 54.95 2dks s GLN 98 Cb -0.15 -3.12 -0.02 0.00 1.10 0.00 0.00 33.01 30.83 2dks s GLN 98 CO -0.10 0.16 -0.07 0.54 -0.55 0.00 0.00 175.29 175.28 2dks s VAL 99 N 0.63 3.44 0.18 1.34 0.11 -1.21 -0.72 120.40 124.17 2dks s VAL 99 Ca 0.01 -0.50 -0.21 0.00 -2.93 0.00 0.00 61.98 58.34 2dks s VAL 99 Cb -0.14 -2.51 -0.08 0.00 -1.53 0.00 0.00 36.38 32.12 2dks s VAL 99 CO 0.02 0.48 0.72 -0.63 -3.33 0.00 0.00 175.10 172.35 2dks s ILE 100 N 0.78 4.53 0.10 7.04 1.09 0.56 -1.63 121.20 133.67 2dks s ILE 100 Ca -0.03 1.41 0.02 0.00 -1.10 0.00 0.00 60.65 60.96 2dks s ILE 100 Cb -0.15 -3.96 -0.04 0.00 -1.06 0.00 0.00 42.46 37.25 2dks s ILE 100 CO 0.02 0.37 0.17 -0.54 -0.10 0.00 0.00 174.94 174.86 2dks s LYS 101 N -1.56 3.17 0.45 2.79 1.02 0.90 0.22 119.74 126.72 2dks s LYS 101 Ca 0.38 -0.63 0.26 0.00 0.02 0.00 0.00 55.97 56.00 2dks s LYS 101 Cb -0.19 -2.86 1.43 0.00 -0.52 0.00 0.00 37.83 35.69 2dks s LYS 101 CO 0.22 0.55 1.78 -0.07 -0.92 0.00 0.00 175.35 176.92 2dks h LEU 102 N 2.82 0.00 -3.00 3.17 -0.00 -1.49 -0.98 115.31 115.84 2dks h LEU 102 Ca -0.47 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.16 2dks h LEU 102 Cb 1.18 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.69 2dks h LEU 102 CO 0.69 0.00 0.32 -0.46 -0.00 0.00 0.00 178.44 178.99 2dks n ASN 103 N -2.48 3.70 -3.20 -0.43 6.94 -1.26 -4.82 115.26 113.70 2dks n ASN 103 Ca -0.02 -2.79 -0.23 0.00 -0.02 0.00 0.00 54.58 51.53 2dks n ASN 103 Cb 0.14 -0.70 0.02 0.00 -2.36 0.00 0.00 39.78 36.87 2dks n ASN 103 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2dks n LEU 104 N -0.20 -2.09 0.00 -4.53 4.77 -0.39 -4.96 117.00 109.60 2dks n LEU 104 Ca 0.28 -0.34 -0.25 0.00 -0.03 0.00 0.00 56.01 55.67 2dks n LEU 104 Cb 1.00 -2.53 -0.05 0.00 -2.33 0.00 0.00 43.42 39.51 2dks n LEU 104 CO 0.30 0.20 -0.16 0.23 -1.33 0.00 0.00 177.39 176.63 2dks n MET 105 N -3.88 0.99 -3.62 3.23 2.81 -1.13 -4.94 117.12 110.58 2dks n MET 105 Ca -0.06 -2.94 -0.10 0.00 -1.81 0.00 0.00 57.70 52.79 2dks n MET 105 Cb 0.58 0.72 -0.07 0.00 -0.71 0.00 0.00 33.22 33.74 2dks n MET 105 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2dks s SER 106 N -3.29 -0.46 0.47 7.83 0.01 -1.26 -0.07 113.70 116.94 2dks s SER 106 Ca 0.04 0.81 0.02 0.00 1.31 0.00 0.00 55.95 58.13 2dks s SER 106 Cb -0.00 0.79 0.02 0.00 0.21 0.00 0.00 66.02 67.04 2dks s SER 106 CO 0.02 -0.21 0.21 -0.62 0.41 0.00 0.00 173.24 173.05 2dks n GLU 107 N 1.91 0.83 -3.90 12.44 -0.58 -0.65 -4.96 120.64 125.74 2dks n GLU 107 Ca -0.12 -3.13 -0.11 0.00 -0.42 0.00 0.00 57.16 53.38 2dks n GLU 107 Cb 0.56 0.56 -0.11 0.00 -0.57 0.00 0.00 31.44 31.88 2dks n GLU 107 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2dks s GLU 108 N -3.83 0.30 -0.29 3.49 2.02 -1.26 -3.34 118.70 115.79 2dks s GLU 108 Ca 0.16 -0.30 -0.05 0.00 0.02 0.00 0.00 54.97 54.80 2dks s GLU 108 Cb -0.01 0.12 0.16 0.00 0.10 0.00 0.00 34.13 34.50 2dks s GLU 108 CO 0.10 -0.06 0.60 0.54 0.02 0.00 0.00 175.26 176.46 2dks s VAL 109 N -0.93 -0.96 -0.60 2.63 0.11 -1.17 -4.88 120.40 114.60 2dks s VAL 109 Ca -0.10 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.68 2dks s VAL 109 Cb -0.06 -0.97 0.03 0.00 -1.53 0.00 0.00 36.38 33.85 2dks s VAL 109 CO 0.00 -0.00 1.16 -0.89 -3.33 0.00 0.00 175.10 172.04 2dks s THR 110 N 2.85 4.04 -0.18 5.04 2.01 -1.26 -2.45 115.64 125.68 2dks s THR 110 Ca 0.10 0.72 -0.01 0.00 0.31 0.00 0.00 61.69 62.81 2dks s THR 110 Cb -0.14 -4.72 0.05 0.00 0.01 0.00 0.00 72.50 67.70 2dks s THR 110 CO -0.20 -1.38 -0.04 -0.83 -0.69 0.00 0.00 174.62 171.49 2dks s GLY 111 N 3.06 0.97 0.39 4.40 0.00 0.03 -4.75 107.32 111.42 2dks s GLY 111 Ca 0.40 -0.90 0.05 0.00 0.00 0.00 0.00 44.72 44.27 2dks s GLY 111 CO 0.23 1.03 0.20 0.61 0.00 0.00 0.00 173.10 175.16 2dks n GLN 112 N 4.87 0.51 -4.10 2.90 0.00 -1.26 -3.96 117.38 116.34 2dks n GLN 112 Ca -0.11 -3.47 -0.20 0.00 0.00 0.00 0.00 57.00 53.21 2dks n GLN 112 Cb 0.47 2.22 -0.07 0.00 0.00 0.00 0.00 30.24 32.86 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 -0.84 -0.41 -4.66 2.61 -1.74 -1.26 -4.57 117.46 106.59 2dks n PHE 113 Ca -0.01 -2.51 -0.24 0.00 -0.56 0.00 0.00 57.45 54.13 2dks n PHE 113 Cb 0.62 0.17 -0.15 0.00 1.52 0.00 0.00 39.48 41.64 2dks n PHE 113 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 2dks s SER 114 N -3.19 2.06 0.09 5.98 0.01 -1.20 -4.13 113.70 113.31 2dks s SER 114 Ca 0.30 -0.40 0.09 0.00 1.31 0.00 0.00 55.95 57.25 2dks s SER 114 Cb 0.01 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 2dks s SER 114 CO 0.21 0.16 -0.22 -0.69 0.41 0.00 0.00 173.24 173.11 2dks s VAL 115 N -0.61 2.53 -0.17 3.43 1.01 -1.26 -2.37 120.40 122.97 2dks s VAL 115 Ca 0.06 -1.47 -0.10 0.00 0.00 0.00 0.00 61.98 60.47 2dks s VAL 115 Cb -0.07 -2.10 0.06 0.00 0.00 0.00 0.00 36.38 34.27 2dks s VAL 115 CO 0.00 0.21 0.41 -1.38 0.00 0.00 0.00 175.10 174.34 2dks s HIS 116 N -1.00 -0.58 0.28 5.22 -3.43 -0.82 -4.81 115.29 110.16 2dks s HIS 116 Ca 0.15 1.25 -0.29 0.00 -0.80 0.00 0.00 55.06 55.36 2dks s HIS 116 Cb -0.10 0.25 -0.10 0.00 -1.43 0.00 0.00 32.58 31.20 2dks s HIS 116 CO 0.06 -0.32 1.25 -1.25 -2.00 0.00 0.00 174.74 172.47 2dks s PRO 117 N 1.22 4.45 -1.04 -0.38 0.04 -1.26 -3.75 135.00 134.28 2dks s PRO 117 Ca -0.08 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.80 2dks s PRO 117 Cb -0.08 -3.14 0.07 0.00 0.04 0.00 0.00 34.50 31.40 2dks s PRO 117 CO -0.11 -0.09 1.42 -1.21 0.04 0.00 0.00 177.00 177.06 2dks s GLU 118 N -1.26 3.65 -0.00 4.56 0.41 -1.26 -4.95 118.70 119.85 2dks s GLU 118 Ca 0.50 -1.36 0.00 0.00 -0.41 0.00 0.00 54.97 53.70 2dks s GLU 118 Cb -0.37 -5.29 -0.00 0.00 -1.78 0.00 0.00 34.13 26.69 2dks s GLU 118 CO 0.46 -2.12 -0.01 0.95 -0.49 0.00 0.00 175.26 174.04 2dks s THR 119 N 4.40 0.11 0.32 3.63 -4.23 -1.26 -5.13 115.64 113.48 2dks s THR 119 Ca 0.44 -0.07 -0.28 0.00 -1.18 0.00 0.00 61.69 60.60 2dks s THR 119 Cb -0.01 -0.10 -0.10 0.00 1.34 0.00 0.00 72.50 73.64 2dks s THR 119 CO -0.08 0.03 1.22 -2.16 -0.54 0.00 0.00 174.62 173.09 2dks s PRO 120 N -0.04 4.40 -0.30 3.99 0.04 -1.26 -5.04 135.00 136.80 2dks s PRO 120 Ca 0.00 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.93 2dks s PRO 120 Cb -0.01 -3.05 0.15 0.00 0.04 0.00 0.00 34.50 31.63 2dks s PRO 120 CO -0.00 -0.08 0.88 0.21 0.04 0.00 0.00 177.00 178.06 2dks s LYS 121 N -1.75 0.41 0.41 4.56 2.20 -1.26 -5.03 119.74 119.27 2dks s LYS 121 Ca 0.49 0.92 0.19 0.00 -0.36 0.00 0.00 55.97 57.22 2dks s LYS 121 Cb -0.36 0.44 0.85 0.00 -1.51 0.00 0.00 37.83 37.25 2dks s LYS 121 CO 0.47 -0.12 1.82 -1.00 -0.36 0.00 0.00 175.35 176.16 2dks h PRO 122 N 7.26 0.00 -7.46 4.03 0.13 -2.08 -3.45 132.00 130.43 2dks h PRO 122 Ca -0.20 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.43 2dks h PRO 122 Cb 1.14 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.34 2dks h PRO 122 CO 0.12 0.32 0.42 -1.54 -0.23 0.00 0.00 178.00 177.08 2dks s SER 123 N -6.47 5.55 0.86 1.44 1.04 -1.26 -5.03 113.70 109.82 2dks s SER 123 Ca -0.01 1.17 -0.11 0.00 0.48 0.00 0.00 55.95 57.47 2dks s SER 123 Cb 0.12 -2.00 0.11 0.00 0.10 0.00 0.00 66.02 64.36 2dks s SER 123 CO 0.67 -1.28 1.16 -0.51 0.98 0.00 0.00 173.24 174.26 2dks s ILE 124 N -3.34 2.23 0.75 -1.02 2.07 -1.26 -5.01 121.20 115.62 2dks s ILE 124 Ca 0.58 0.08 -0.12 0.00 -1.41 0.00 0.00 60.65 59.78 2dks s ILE 124 Cb -0.11 -2.28 0.04 0.00 0.13 0.00 0.00 42.46 40.24 2dks s ILE 124 CO 0.52 -0.09 1.12 -0.94 -1.91 0.00 0.00 174.94 173.64 2dks s SER 125 N -2.59 5.00 0.00 4.50 1.04 -1.26 -4.82 113.70 115.57 2dks s SER 125 Ca 0.68 1.08 0.00 0.00 0.48 0.00 0.00 55.95 58.19 2dks s SER 125 Cb -0.24 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.08 2dks s SER 125 CO 0.55 -1.62 0.00 0.61 0.98 0.00 0.00 173.24 173.76 2dks n GLY 126 N -2.88 0.10 0.21 7.32 0.00 -1.26 -5.00 105.19 103.68 2dks n GLY 126 Ca 0.07 -0.42 -0.06 0.00 0.00 0.00 0.00 46.02 45.62 2dks n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dks h PRO 127 N 0.00 0.42 -6.06 1.61 0.13 -1.88 -3.40 132.00 122.82 2dks h PRO 127 Ca 0.00 -0.22 -0.52 0.00 -0.87 0.00 0.00 66.00 64.38 2dks h PRO 127 Cb 0.00 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.09 2dks h PRO 127 CO 0.00 0.79 -0.41 -1.54 -0.23 0.00 0.00 178.00 176.60 2dks s SER 128 N -6.87 4.80 -1.58 1.44 1.04 -1.26 -4.62 113.70 106.65 2dks s SER 128 Ca -0.06 -0.89 -0.17 0.00 0.48 0.00 0.00 55.95 55.31 2dks s SER 128 Cb 0.12 -0.48 0.17 0.00 0.10 0.00 0.00 66.02 65.93 2dks s SER 128 CO 0.81 -0.64 0.42 -1.54 0.98 0.00 0.00 173.24 173.26 2dks n SER 129 N -1.45 -1.10 0.00 7.02 3.41 -1.26 -5.20 113.62 115.04 2dks n SER 129 Ca 0.02 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.53 2dks n SER 129 Cb 0.63 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 2dks n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49