#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 6.27 -1.34 1.61 0.15 -1.26 -4.32 113.70 114.81 2dks s SER 2 Ca 0.00 0.29 -0.02 0.00 0.70 0.00 0.00 55.95 56.92 2dks s SER 2 Cb 0.00 -2.22 0.01 0.00 -1.71 0.00 0.00 66.02 62.10 2dks s SER 2 CO 0.00 -0.20 0.75 -1.20 1.20 0.00 0.00 173.24 173.79 2dks n SER 3 N 5.36 -1.77 -1.76 5.45 7.64 -1.26 -4.84 113.62 122.45 2dks n SER 3 Ca -0.08 -0.81 -0.08 0.00 1.01 0.00 0.00 58.87 58.92 2dks n SER 3 Cb 0.51 -4.06 -0.04 0.00 -1.01 0.00 0.00 64.21 59.61 2dks n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dks n GLY 4 N -1.59 3.03 3.06 0.23 0.00 -1.26 -4.82 105.19 103.83 2dks n GLY 4 Ca -0.25 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 2dks n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dks s SER 5 N 1.57 1.16 -0.26 1.61 0.15 -1.26 -5.11 113.70 111.55 2dks s SER 5 Ca 0.26 -0.31 -0.29 0.00 0.70 0.00 0.00 55.95 56.31 2dks s SER 5 Cb 0.15 -0.08 -0.01 0.00 -1.71 0.00 0.00 66.02 64.37 2dks s SER 5 CO -0.02 0.03 1.40 -0.94 1.20 0.00 0.00 173.24 174.91 2dks s SER 6 N -0.71 6.60 0.00 5.45 1.04 -1.26 -4.91 113.70 119.91 2dks s SER 6 Ca 0.00 1.38 0.00 0.00 0.48 0.00 0.00 55.95 57.81 2dks s SER 6 Cb -0.06 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2dks s SER 6 CO 0.00 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.72 2dks n GLY 7 N 4.37 1.15 3.45 7.32 0.00 -1.26 -5.13 105.19 115.09 2dks n GLY 7 Ca 0.16 -0.74 -0.50 0.00 0.00 0.00 0.00 46.02 44.93 2dks n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2dks n THR 8 N 0.00 1.44 -2.96 2.61 5.66 -1.26 -4.95 114.28 114.82 2dks n THR 8 Ca 0.00 -0.36 -0.22 0.00 -3.05 0.00 0.00 64.05 60.42 2dks n THR 8 Cb 0.00 -0.14 0.02 0.00 -1.55 0.00 0.00 70.33 68.66 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 -0.71 3.89 -0.28 1.79 0.00 -1.26 -5.12 121.76 120.08 2dks s ALA 9 Ca 0.71 -1.21 -0.24 0.00 0.00 0.00 0.00 51.96 51.22 2dks s ALA 9 Cb -0.99 -2.04 0.10 0.00 0.00 0.00 0.00 23.12 20.20 2dks s ALA 9 CO 0.56 -0.42 0.90 1.14 0.00 0.00 0.00 175.76 177.94 2dks s GLN 10 N -4.55 0.63 -0.40 0.00 -2.07 -1.26 -5.11 119.66 106.90 2dks s GLN 10 Ca 0.50 0.77 -0.43 0.00 -1.82 0.00 0.00 55.36 54.39 2dks s GLN 10 Cb -0.10 0.30 -0.17 0.00 -1.09 0.00 0.00 33.01 31.95 2dks s GLN 10 CO 0.37 -0.08 1.82 -0.11 -1.32 0.00 0.00 175.29 175.97 2dks n LEU 11 N 2.52 1.68 -4.24 2.60 7.94 -1.26 -4.64 117.00 121.60 2dks n LEU 11 Ca -0.13 0.96 -0.14 0.00 -1.11 0.00 0.00 56.01 55.59 2dks n LEU 11 Cb 0.56 -1.03 -0.10 0.00 0.53 0.00 0.00 43.42 43.38 2dks n LEU 11 CO 0.02 -0.66 -0.30 0.28 -1.11 0.00 0.00 177.39 175.63 2dks s THR 12 N 4.28 0.49 -0.04 1.96 -1.32 -1.14 -4.75 115.64 115.12 2dks s THR 12 Ca 1.06 -1.98 -0.02 0.00 -1.21 0.00 0.00 61.69 59.55 2dks s THR 12 Cb -1.26 -2.28 0.03 0.00 -1.51 0.00 0.00 72.50 67.48 2dks s THR 12 CO 0.69 -0.30 0.09 -0.63 -2.21 0.00 0.00 174.62 172.26 2dks s ILE 13 N -3.79 -0.05 -0.17 5.08 1.01 -1.26 -1.19 121.20 120.83 2dks s ILE 13 Ca 0.29 0.18 0.01 0.00 0.00 0.00 0.00 60.65 61.13 2dks s ILE 13 Cb 0.07 -0.16 0.02 0.00 0.01 0.00 0.00 42.46 42.39 2dks s ILE 13 CO 0.07 0.07 -0.20 -0.70 0.00 0.00 0.00 174.94 174.18 2dks s GLU 14 N 1.03 3.01 0.26 2.79 2.12 -0.78 -4.81 118.70 122.32 2dks s GLU 14 Ca -0.08 -0.83 -0.30 0.00 0.36 0.00 0.00 54.97 54.12 2dks s GLU 14 Cb -0.11 -2.54 -0.10 0.00 0.26 0.00 0.00 34.13 31.64 2dks s GLU 14 CO -0.04 -0.14 1.42 0.00 -0.54 0.00 0.00 175.26 175.96 2dks s ALA 15 N 1.13 3.61 -0.23 6.30 0.00 -1.26 -2.20 121.76 129.10 2dks s ALA 15 Ca 0.01 1.31 -0.04 0.00 0.00 0.00 0.00 51.96 53.24 2dks s ALA 15 Cb -0.14 -3.55 0.09 0.00 0.00 0.00 0.00 23.12 19.52 2dks s ALA 15 CO -0.09 -0.73 0.13 0.08 0.00 0.00 0.00 175.76 175.15 2dks s VAL 16 N -0.13 -0.12 1.11 0.00 1.01 0.02 -3.01 120.40 119.28 2dks s VAL 16 Ca 0.58 -0.45 -0.19 0.00 0.00 0.00 0.00 61.98 61.92 2dks s VAL 16 Cb -0.41 -0.79 0.28 0.00 0.00 0.00 0.00 36.38 35.45 2dks s VAL 16 CO 0.44 -0.49 0.99 -0.81 0.00 0.00 0.00 175.10 175.23 2dks n PRO 17 N 5.27 -2.95 0.00 2.72 -0.04 -1.26 -0.04 135.00 138.70 2dks n PRO 17 Ca -0.06 -1.58 -0.03 0.00 -0.04 0.00 0.00 63.50 61.79 2dks n PRO 17 Cb 0.46 -1.48 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 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 -4.69 0.76 -3.57 3.54 2.88 -1.16 -4.67 113.62 106.70 2dks n SER 18 Ca 0.14 0.34 -0.29 0.00 -1.33 0.00 0.00 58.87 57.73 2dks n SER 18 Cb 0.53 0.23 -0.12 0.00 -0.75 0.00 0.00 64.21 64.10 2dks n SER 18 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dks s ASN 19 N -5.80 3.06 0.62 -3.46 2.20 -1.26 -3.44 114.94 106.86 2dks s ASN 19 Ca -0.04 -2.61 -0.02 0.00 -0.94 0.00 0.00 52.86 49.25 2dks s ASN 19 Cb 0.08 -0.72 0.05 0.00 -2.00 0.00 0.00 41.25 38.66 2dks s ASN 19 CO 0.82 -0.25 0.88 0.00 -2.94 0.00 0.00 177.10 175.61 2dks s ALA 20 N 0.47 3.57 0.18 3.54 0.00 -1.01 -4.91 121.76 123.60 2dks s ALA 20 Ca 0.21 -1.15 0.10 0.00 0.00 0.00 0.00 51.96 51.12 2dks s ALA 20 Cb -0.18 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 2dks s ALA 20 CO -0.04 -0.99 -0.17 0.00 0.00 0.00 0.00 175.76 174.56 2dks s ALA 21 N -2.98 2.74 0.00 0.00 0.00 -1.26 -1.55 121.76 118.71 2dks s ALA 21 Ca 0.59 -1.55 -0.39 0.00 0.00 0.00 0.00 51.96 50.60 2dks s ALA 21 Cb -0.11 -0.54 -0.19 0.00 0.00 0.00 0.00 23.12 22.29 2dks s ALA 21 CO 0.41 0.45 1.18 0.39 0.00 0.00 0.00 175.76 178.19 2dks n GLU 22 N 0.18 0.34 0.00 0.00 1.02 -1.21 0.25 120.64 121.22 2dks n GLU 22 Ca -0.12 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2dks n GLU 22 Cb 0.56 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 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 1.92 1.58 2.62 0.62 0.00 0.49 -4.94 105.19 107.47 2dks n GLY 23 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 2dks n GLY 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dks n LYS 24 N -2.00 -0.30 -4.76 1.61 4.76 0.14 -4.04 118.16 113.57 2dks n LYS 24 Ca 0.00 -1.65 -0.25 0.00 -2.87 0.00 0.00 58.31 53.54 2dks n LYS 24 Cb 0.00 -0.65 -0.15 0.00 -1.84 0.00 0.00 35.03 32.39 2dks n LYS 24 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2dks s GLU 25 N -4.53 1.41 -0.14 1.97 -1.05 -1.26 -0.20 118.70 114.90 2dks s GLU 25 Ca 0.47 -0.76 0.01 0.00 -0.15 0.00 0.00 54.97 54.55 2dks s GLU 25 Cb -0.02 -1.42 0.02 0.00 -0.44 0.00 0.00 34.13 32.27 2dks s GLU 25 CO 0.32 0.38 -0.17 0.08 0.95 0.00 0.00 175.26 176.83 2dks s VAL 26 N -0.59 1.69 -0.43 1.83 1.01 0.94 -4.42 120.40 120.44 2dks s VAL 26 Ca 0.07 -0.73 -0.15 0.00 0.00 0.00 0.00 61.98 61.16 2dks s VAL 26 Cb -0.08 -1.55 0.04 0.00 0.00 0.00 0.00 36.38 34.79 2dks s VAL 26 CO 0.00 0.48 0.33 -0.22 0.00 0.00 0.00 175.10 175.69 2dks s LEU 27 N 1.19 5.28 -1.00 3.92 2.96 0.94 -0.22 118.68 131.75 2dks s LEU 27 Ca -0.01 -1.05 -0.21 0.00 -0.22 0.00 0.00 54.13 52.65 2dks s LEU 27 Cb -0.14 -2.16 0.09 0.00 0.50 0.00 0.00 46.19 44.48 2dks s LEU 27 CO -0.07 -0.52 1.32 -0.76 -1.32 0.00 0.00 176.35 175.01 2dks s LEU 28 N 1.66 4.23 0.77 -0.68 1.43 -0.75 -0.80 118.68 124.54 2dks s LEU 28 Ca 0.05 -1.79 -0.11 0.00 -1.03 0.00 0.00 54.13 51.24 2dks s LEU 28 Cb -0.21 -2.49 0.06 0.00 0.03 0.00 0.00 46.19 43.58 2dks s LEU 28 CO 0.09 -1.28 1.11 -0.76 0.23 0.00 0.00 176.35 175.73 2dks s LEU 29 N 3.86 3.08 -0.10 1.79 1.43 -0.93 -3.07 118.68 124.75 2dks s LEU 29 Ca 0.40 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.45 2dks s LEU 29 Cb -0.02 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.69 2dks s LEU 29 CO -0.09 -2.14 -0.08 -0.69 0.23 0.00 0.00 176.35 173.58 2dks s VAL 30 N -2.71 0.96 0.50 -1.59 1.01 -1.26 -1.87 120.40 115.44 2dks s VAL 30 Ca 0.64 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.41 2dks s VAL 30 Cb -0.19 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.24 2dks s VAL 30 CO 0.53 0.35 0.47 -1.00 0.00 0.00 0.00 175.10 175.45 2dks s HIS 31 N 1.50 2.02 -0.97 5.22 0.09 -0.34 -4.54 115.29 118.27 2dks s HIS 31 Ca 0.01 -0.68 0.00 0.00 -0.00 0.00 0.00 55.06 54.39 2dks s HIS 31 Cb -0.13 -2.08 0.00 0.00 -0.00 0.00 0.00 32.58 30.37 2dks s HIS 31 CO -0.05 -0.46 0.00 0.09 -0.00 0.00 0.00 174.74 174.31 2dks n ASN 32 N -1.77 -3.19 -4.35 1.40 3.02 -1.26 -2.87 115.26 106.23 2dks n ASN 32 Ca 0.04 0.25 -0.33 0.00 -0.03 0.00 0.00 54.58 54.50 2dks n ASN 32 Cb 0.63 -2.86 0.11 0.00 -0.61 0.00 0.00 39.78 37.06 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 -2.36 -1.14 0.00 3.41 4.77 -1.26 -4.08 117.00 116.33 2dks n LEU 33 Ca -0.12 0.27 -0.21 0.00 -0.03 0.00 0.00 56.01 55.92 2dks n LEU 33 Cb 0.50 -1.12 0.17 0.00 -2.33 0.00 0.00 43.42 40.64 2dks n LEU 33 CO 0.15 -3.87 0.42 -0.81 -1.33 0.00 0.00 177.39 171.95 2dks n PRO 34 N -1.18 -2.50 -0.10 3.23 -0.04 -1.26 -5.01 135.00 128.13 2dks n PRO 34 Ca 0.05 -1.21 -0.17 0.00 -0.04 0.00 0.00 63.50 62.13 2dks n PRO 34 Cb 0.55 -1.13 -0.07 0.00 -0.04 0.00 0.00 33.50 32.80 2dks n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dks n GLN 35 N -3.82 0.54 -3.50 0.54 10.64 -1.26 -4.71 117.38 115.81 2dks n GLN 35 Ca 0.10 0.43 -0.34 0.00 -1.83 0.00 0.00 57.00 55.36 2dks n GLN 35 Cb 0.41 -1.62 -0.06 0.00 -0.86 0.00 0.00 30.24 28.11 2dks n GLN 35 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2dks n ASP 36 N -4.44 4.36 -4.55 2.61 9.92 -1.26 -5.03 116.55 118.16 2dks n ASP 36 Ca -0.29 -3.27 -0.35 0.00 -0.53 0.00 0.00 54.79 50.35 2dks n ASP 36 Cb 0.60 -0.96 -0.04 0.00 -0.64 0.00 0.00 41.12 40.09 2dks n ASP 36 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2dks s PRO 37 N -1.94 2.60 0.54 -0.24 0.04 -1.26 -1.73 135.00 133.01 2dks s PRO 37 Ca 0.31 0.34 0.23 0.00 0.04 0.00 0.00 61.00 61.92 2dks s PRO 37 Cb 0.01 -4.59 1.50 0.00 0.04 0.00 0.00 34.50 31.46 2dks s PRO 37 CO -0.06 -2.94 2.18 -0.09 0.04 0.00 0.00 177.00 176.13 2dks h ARG 38 N 13.89 0.00 0.00 4.56 2.43 0.27 -3.42 114.38 132.11 2dks h ARG 38 Ca -0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2dks h ARG 38 Cb 1.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2dks h ARG 38 CO 1.22 0.03 0.00 0.41 -1.51 0.00 0.00 179.97 180.11 2dks n GLY 39 N -1.33 1.82 3.72 2.80 0.00 -1.01 -2.47 105.19 108.71 2dks n GLY 39 Ca -0.03 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 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 3.03 -0.24 1.61 2.02 0.15 -1.26 117.35 120.66 2dks s TYR 40 Ca 0.00 -0.02 -0.03 0.00 -0.37 0.00 0.00 57.07 56.65 2dks s TYR 40 Cb 0.00 -1.53 0.13 0.00 -0.40 0.00 0.00 41.96 40.16 2dks s TYR 40 CO 0.00 0.50 0.35 -0.80 -1.57 0.00 0.00 175.55 174.03 2dks s ASN 41 N -2.53 0.49 0.28 2.29 0.01 -0.10 -0.20 114.94 115.19 2dks s ASN 41 Ca 0.27 0.08 -0.04 0.00 -0.71 0.00 0.00 52.86 52.47 2dks s ASN 41 Cb -0.11 0.97 -0.05 0.00 0.41 0.00 0.00 41.25 42.47 2dks s ASN 41 CO 0.20 -0.31 0.53 0.26 -1.51 0.00 0.00 177.10 176.27 2dks s TRP 42 N 2.50 3.48 0.27 2.20 0.52 -0.62 -0.35 118.94 126.94 2dks s TRP 42 Ca 0.11 0.57 -0.00 0.00 0.02 0.00 0.00 56.10 56.80 2dks s TRP 42 Cb -0.15 -2.05 -0.03 0.00 -1.15 0.00 0.00 33.47 30.09 2dks s TRP 42 CO -0.17 0.19 0.27 0.71 0.02 0.00 0.00 176.95 177.97 2dks s TYR 43 N -2.09 1.24 -0.11 -1.98 1.51 0.72 -2.66 117.35 113.99 2dks s TYR 43 Ca 0.43 -1.38 -0.03 0.00 -1.01 0.00 0.00 57.07 55.08 2dks s TYR 43 Cb -0.11 -0.45 0.04 0.00 -0.11 0.00 0.00 41.96 41.34 2dks s TYR 43 CO 0.31 -0.83 0.05 0.21 -1.11 0.00 0.00 175.55 174.19 2dks s LYS 44 N -3.76 0.20 0.00 -0.62 2.20 -0.90 -3.00 119.74 113.87 2dks s LYS 44 Ca 0.36 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 56.04 2dks s LYS 44 Cb 0.04 -1.26 0.00 0.00 -1.51 0.00 0.00 37.83 35.10 2dks s LYS 44 CO 0.18 -0.48 0.00 0.41 -0.36 0.00 0.00 175.35 175.10 2dks n GLY 45 N 5.23 0.89 3.55 5.54 0.00 -1.24 -4.76 105.19 114.40 2dks n GLY 45 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.15 -3.60 1.61 1.02 -1.26 -4.95 120.64 108.31 2dks n GLU 46 Ca 0.00 0.66 -0.16 0.00 -0.02 0.00 0.00 57.16 57.64 2dks n GLU 46 Cb 0.00 -5.53 -0.07 0.00 -0.02 0.00 0.00 31.44 25.83 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 -3.18 0.01 -0.59 2.62 -4.23 -1.26 -5.00 115.64 104.00 2dks s THR 47 Ca 0.52 -0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 60.90 2dks s THR 47 Cb -0.25 -0.91 -0.07 0.00 1.34 0.00 0.00 72.50 72.61 2dks s THR 47 CO 0.64 -0.04 3.05 0.52 -0.54 0.00 0.00 174.62 178.25 2dks n VAL 48 N 1.55 3.65 -2.19 2.29 0.31 -1.26 -4.50 118.33 118.17 2dks n VAL 48 Ca -0.18 -2.61 -0.29 0.00 -0.01 0.00 0.00 64.34 61.26 2dks n VAL 48 Cb 0.56 -1.96 0.02 0.00 -0.91 0.00 0.00 33.84 31.55 2dks n VAL 48 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2dks s ASP 49 N 1.20 5.94 0.02 4.52 1.47 -1.26 -5.00 116.67 123.57 2dks s ASP 49 Ca 0.63 1.08 0.22 0.00 1.18 0.00 0.00 52.55 55.66 2dks s ASP 49 Cb 0.30 -2.14 -0.21 0.00 -0.34 0.00 0.00 42.92 40.54 2dks s ASP 49 CO -0.10 -0.93 0.71 0.00 0.68 0.00 0.00 175.17 175.53 2dks n ALA 50 N -2.64 3.09 0.08 2.11 0.00 -1.26 -3.67 120.51 118.23 2dks n ALA 50 Ca 0.04 -0.46 -0.11 0.00 0.00 0.00 0.00 53.44 52.91 2dks n ALA 50 Cb 0.56 -0.85 -0.12 0.00 0.00 0.00 0.00 19.45 19.04 2dks n ALA 50 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2dks h ASN 51 N 0.00 0.20 -0.47 0.00 2.35 -1.99 -3.25 115.58 112.42 2dks h ASN 51 Ca 0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2dks h ASN 51 Cb 0.90 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.20 2dks h ASN 51 CO 0.00 1.15 0.00 0.54 -1.65 0.00 0.00 177.43 177.47 2dks n ARG 52 N -3.46 4.04 -2.06 0.81 5.12 -1.26 -4.48 116.66 115.37 2dks n ARG 52 Ca -0.04 -3.00 -0.43 0.00 -1.93 0.00 0.00 57.85 52.46 2dks n ARG 52 Cb 0.96 -2.06 -0.03 0.00 -1.16 0.00 0.00 32.46 30.18 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 -2.65 3.84 -0.00 5.56 3.52 -1.23 -2.11 118.95 125.88 2dks s ARG 53 Ca 0.49 1.80 -0.15 0.00 -0.13 0.00 0.00 55.73 57.74 2dks s ARG 53 Cb 0.37 -4.05 -0.08 0.00 -1.56 0.00 0.00 34.95 29.63 2dks s ARG 53 CO 0.14 -1.25 0.83 0.82 -0.81 0.00 0.00 175.30 175.04 2dks h ILE 54 N 6.08 0.00 -1.88 4.11 2.04 -1.74 -3.22 117.51 122.90 2dks h ILE 54 Ca -0.35 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 2dks h ILE 54 Cb 1.16 0.00 -0.21 0.00 -0.74 0.00 0.00 36.82 37.03 2dks h ILE 54 CO 0.99 0.00 0.25 -0.51 0.00 0.00 0.00 178.15 178.88 2dks s ILE 55 N -3.53 0.00 -0.09 -0.67 2.07 -1.24 -1.04 121.20 116.70 2dks s ILE 55 Ca -0.08 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.17 2dks s ILE 55 Cb 0.01 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.62 2dks s ILE 55 CO 0.24 0.00 -0.10 -0.83 -1.91 0.00 0.00 174.94 172.34 2dks s GLY 56 N -0.45 0.80 0.03 1.50 0.00 -1.01 -1.59 107.32 106.61 2dks s GLY 56 Ca -0.04 -0.47 0.06 0.00 0.00 0.00 0.00 44.72 44.28 2dks s GLY 56 CO 0.04 0.48 -0.16 -0.47 0.00 0.00 0.00 173.10 172.98 2dks s TYR 57 N 1.20 2.62 -0.20 1.90 5.04 0.73 -1.12 117.35 127.52 2dks s TYR 57 Ca -0.05 -0.22 0.01 0.00 -2.44 0.00 0.00 57.07 54.38 2dks s TYR 57 Cb -0.14 -1.49 0.03 0.00 0.35 0.00 0.00 41.96 40.71 2dks s TYR 57 CO -0.02 0.28 -0.15 0.08 -1.34 0.00 0.00 175.55 174.39 2dks s VAL 58 N -0.94 1.93 0.30 3.14 1.01 0.41 0.34 120.40 126.58 2dks s VAL 58 Ca 0.15 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 61.09 2dks s VAL 58 Cb -0.11 -1.87 0.12 0.00 0.00 0.00 0.00 36.38 34.52 2dks s VAL 58 CO 0.06 0.33 1.80 0.40 0.00 0.00 0.00 175.10 177.69 2dks h ILE 59 N 6.23 1.23 -0.45 2.22 2.04 -1.74 0.73 117.51 127.77 2dks h ILE 59 Ca -0.35 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 64.58 2dks h ILE 59 Cb 1.11 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 2dks h ILE 59 CO 0.55 0.33 -0.26 -0.24 0.00 0.00 0.00 178.15 178.52 2dks n SER 60 N -4.22 -0.47 -0.25 1.72 2.88 -1.21 -2.66 113.62 109.41 2dks n SER 60 Ca 0.01 1.13 0.07 0.00 -1.33 0.00 0.00 58.87 58.75 2dks n SER 60 Cb 0.30 -0.27 0.10 0.00 -0.75 0.00 0.00 64.21 63.59 2dks n SER 60 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2dks n ASN 61 N -4.04 1.61 -3.58 -3.46 6.94 -1.23 -5.00 115.26 106.50 2dks n ASN 61 Ca 0.01 -2.79 -0.20 0.00 -0.02 0.00 0.00 54.58 51.58 2dks n ASN 61 Cb 0.12 -0.36 0.05 0.00 -2.36 0.00 0.00 39.78 37.23 2dks n ASN 61 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2dks n GLN 62 N -0.97 -5.10 -3.30 -3.83 6.02 0.24 -4.95 117.38 105.49 2dks n GLN 62 Ca 0.11 0.70 -0.40 0.00 -0.01 0.00 0.00 57.00 57.41 2dks n GLN 62 Cb 0.67 -5.40 -0.08 0.00 1.02 0.00 0.00 30.24 26.45 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 -5.67 3.91 -0.18 -1.09 0.74 -0.27 -4.84 119.66 112.27 2dks s GLN 63 Ca 0.05 0.06 -0.05 0.00 0.05 0.00 0.00 55.36 55.48 2dks s GLN 63 Cb -0.01 -3.70 -0.03 0.00 1.10 0.00 0.00 33.01 30.37 2dks s GLN 63 CO 0.78 -0.40 -0.01 0.42 -0.55 0.00 0.00 175.29 175.53 2dks s ILE 64 N 2.22 4.08 -0.33 -2.34 1.01 -1.26 -0.45 121.20 124.13 2dks s ILE 64 Ca 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.53 2dks s ILE 64 Cb -0.16 -2.82 0.11 0.00 0.01 0.00 0.00 42.46 39.61 2dks s ILE 64 CO 0.11 0.46 0.15 -0.89 0.00 0.00 0.00 174.94 174.77 2dks s THR 65 N 0.58 0.60 0.29 2.92 2.01 -0.27 -5.02 115.64 116.74 2dks s THR 65 Ca -0.01 -1.47 -0.29 0.00 0.31 0.00 0.00 61.69 60.23 2dks s THR 65 Cb -0.14 -1.45 -0.10 0.00 0.01 0.00 0.00 72.50 70.82 2dks s THR 65 CO 0.02 -0.78 1.24 -2.16 -0.69 0.00 0.00 174.62 172.26 2dks s PRO 66 N 1.45 4.45 0.26 4.92 0.04 -1.26 -2.41 135.00 142.46 2dks s PRO 66 Ca 0.12 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.22 2dks s PRO 66 Cb -0.19 -3.13 0.05 0.00 0.04 0.00 0.00 34.50 31.27 2dks s PRO 66 CO -0.20 -0.08 0.36 0.41 0.04 0.00 0.00 177.00 177.54 2dks n GLY 67 N 1.25 0.98 0.22 0.56 0.00 -0.20 -4.96 105.19 103.03 2dks n GLY 67 Ca 0.01 -2.02 0.09 0.00 0.00 0.00 0.00 46.02 44.10 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 0.00 -0.98 1.61 0.13 -1.82 -2.91 132.00 128.04 2dks h PRO 68 Ca -0.12 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.83 2dks h PRO 68 Cb 0.46 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.48 2dks h PRO 68 CO 0.14 0.25 0.23 0.00 -0.23 0.00 0.00 178.00 178.39 2dks n ALA 69 N -2.28 3.66 -2.93 -0.56 0.00 -1.22 -4.85 120.51 112.34 2dks n ALA 69 Ca -0.01 -1.11 -0.34 0.00 0.00 0.00 0.00 53.44 51.98 2dks n ALA 69 Cb 0.40 -1.16 -0.12 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.38 3.06 -0.24 0.00 5.04 -1.10 -4.54 117.35 118.18 2dks s TYR 70 Ca 0.23 -0.23 0.11 0.00 -2.44 0.00 0.00 57.07 54.73 2dks s TYR 70 Cb 0.19 -1.97 0.46 0.00 0.35 0.00 0.00 41.96 40.99 2dks s TYR 70 CO 0.05 0.00 1.34 0.45 -1.34 0.00 0.00 175.55 176.06 2dks n SER 71 N 3.50 2.23 -2.56 4.32 2.88 -1.26 -4.94 113.62 117.79 2dks n SER 71 Ca -0.17 -3.75 -0.12 0.00 -1.33 0.00 0.00 58.87 53.50 2dks n SER 71 Cb 0.52 -0.58 -0.00 0.00 -0.75 0.00 0.00 64.21 63.40 2dks n SER 71 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2dks n ASN 72 N -1.11 -3.44 -0.03 -3.46 0.23 -1.26 -4.75 115.26 101.44 2dks n ASN 72 Ca 0.26 0.17 -0.03 0.00 -0.53 0.00 0.00 54.58 54.45 2dks n ASN 72 Cb 0.86 -2.93 -0.03 0.00 -2.08 0.00 0.00 39.78 35.60 2dks n ASN 72 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2dks n ARG 73 N -2.87 2.01 -3.10 -3.83 1.74 -1.26 -5.03 116.66 104.32 2dks n ARG 73 Ca -0.11 0.01 -0.35 0.00 -0.77 0.00 0.00 57.85 56.64 2dks n ARG 73 Cb 0.59 -1.12 -0.06 0.00 -1.02 0.00 0.00 32.46 30.84 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 -2.12 4.16 -0.04 5.56 8.01 -1.26 -3.18 118.70 129.83 2dks s GLU 74 Ca -0.05 0.80 -0.01 0.00 0.01 0.00 0.00 54.97 55.73 2dks s GLU 74 Cb 0.02 -2.69 0.03 0.00 -4.31 0.00 0.00 34.13 27.18 2dks s GLU 74 CO 0.17 0.29 0.03 0.99 0.01 0.00 0.00 175.26 176.75 2dks s THR 75 N -1.72 0.09 0.99 3.63 2.01 -0.72 -4.94 115.64 114.98 2dks s THR 75 Ca 0.48 0.23 -0.12 0.00 0.31 0.00 0.00 61.69 62.59 2dks s THR 75 Cb -0.14 -0.26 0.19 0.00 0.01 0.00 0.00 72.50 72.30 2dks s THR 75 CO 0.19 0.17 1.09 -0.63 -0.69 0.00 0.00 174.62 174.76 2dks s ILE 76 N 1.63 2.12 0.10 1.82 1.09 -1.26 -0.77 121.20 125.94 2dks s ILE 76 Ca -0.01 0.04 0.01 0.00 -1.10 0.00 0.00 60.65 59.58 2dks s ILE 76 Cb -0.13 -2.52 -0.04 0.00 -1.06 0.00 0.00 42.46 38.71 2dks s ILE 76 CO -0.03 -0.05 -0.03 -0.31 -0.10 0.00 0.00 174.94 174.41 2dks s TYR 77 N -2.95 0.82 -2.00 3.97 1.51 0.14 -4.83 117.35 114.01 2dks s TYR 77 Ca 0.65 -1.01 0.11 0.00 -1.01 0.00 0.00 57.07 55.82 2dks s TYR 77 Cb -0.19 -0.50 0.68 0.00 -0.11 0.00 0.00 41.96 41.85 2dks s TYR 77 CO 0.58 -0.27 1.11 -0.35 -1.11 0.00 0.00 175.55 175.51 2dks n PRO 78 N -0.03 0.49 -0.09 -1.71 -0.04 -1.26 -1.94 135.00 130.42 2dks n PRO 78 Ca -0.11 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.42 2dks n PRO 78 Cb 0.61 -1.37 0.11 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.87 2.09 -0.84 3.54 3.02 -1.26 -4.96 115.26 115.98 2dks n ASN 79 Ca 0.09 -2.81 -0.09 0.00 -0.03 0.00 0.00 54.58 51.74 2dks n ASN 79 Cb 0.04 -0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 38.85 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 -1.17 -0.20 -2.86 5.41 0.00 -0.82 -4.46 120.51 116.42 2dks n ALA 80 Ca 0.12 0.11 -0.27 0.00 0.00 0.00 0.00 53.44 53.40 2dks n ALA 80 Cb 0.58 -1.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 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 -2.76 5.87 -0.11 0.00 0.01 -1.25 -4.71 113.70 110.76 2dks s SER 81 Ca 0.00 0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.29 2dks s SER 81 Cb 0.00 -1.65 0.02 0.00 0.21 0.00 0.00 66.02 64.60 2dks s SER 81 CO 0.00 0.09 -0.11 -0.22 0.41 0.00 0.00 173.24 173.41 2dks s LEU 82 N -2.99 1.47 -0.32 2.44 2.96 -1.17 0.27 118.68 121.35 2dks s LEU 82 Ca 0.32 -0.35 -0.15 0.00 -0.22 0.00 0.00 54.13 53.73 2dks s LEU 82 Cb -0.11 -0.93 -0.02 0.00 0.50 0.00 0.00 46.19 45.63 2dks s LEU 82 CO 0.25 -0.05 0.38 -0.22 -1.32 0.00 0.00 176.35 175.40 2dks s LEU 83 N 1.28 4.28 -0.46 -0.68 2.96 0.05 -1.81 118.68 124.30 2dks s LEU 83 Ca -0.02 -0.02 -0.16 0.00 -0.22 0.00 0.00 54.13 53.71 2dks s LEU 83 Cb -0.14 -2.40 0.06 0.00 0.50 0.00 0.00 46.19 44.22 2dks s LEU 83 CO -0.04 -0.30 0.39 -0.32 -1.32 0.00 0.00 176.35 174.76 2dks s MET 84 N 2.08 2.99 0.32 1.98 -2.45 0.69 -1.75 119.30 123.16 2dks s MET 84 Ca 0.14 -1.28 -0.04 0.00 -1.25 0.00 0.00 55.69 53.26 2dks s MET 84 Cb -0.16 -4.11 -0.05 0.00 1.25 0.00 0.00 34.83 31.76 2dks s MET 84 CO 0.11 -0.99 0.57 1.03 1.05 0.00 0.00 175.02 176.79 2dks s ARG 85 N 1.69 3.60 -1.48 4.11 0.52 -1.19 -0.04 118.95 126.15 2dks s ARG 85 Ca 0.05 -0.04 -0.12 0.00 -0.52 0.00 0.00 55.73 55.10 2dks s ARG 85 Cb -0.23 -2.62 0.06 0.00 0.52 0.00 0.00 34.95 32.68 2dks s ARG 85 CO 0.07 0.16 0.95 0.09 0.02 0.00 0.00 175.30 176.60 2dks n ASN 86 N -1.22 -5.18 -4.54 0.23 3.02 0.06 -4.86 115.26 102.78 2dks n ASN 86 Ca -0.02 -0.65 -0.37 0.00 -0.03 0.00 0.00 54.58 53.51 2dks n ASN 86 Cb 0.54 -4.13 0.06 0.00 -0.61 0.00 0.00 39.78 35.64 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 -4.67 2.77 -4.33 2.41 0.24 0.72 -4.34 118.33 111.12 2dks n VAL 87 Ca 0.02 -0.46 -0.17 0.00 -2.04 0.00 0.00 64.34 61.69 2dks n VAL 87 Cb 0.54 -0.92 -0.10 0.00 -1.47 0.00 0.00 33.84 31.89 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 -1.71 1.39 0.28 3.34 -4.23 -1.26 -0.38 115.64 113.07 2dks s THR 88 Ca 0.71 -2.11 -0.02 0.00 -1.18 0.00 0.00 61.69 59.09 2dks s THR 88 Cb -0.40 -2.14 0.27 0.00 1.34 0.00 0.00 72.50 71.57 2dks s THR 88 CO 0.52 -0.51 1.91 0.08 -0.54 0.00 0.00 174.62 176.07 2dks h ARG 89 N 2.54 1.14 -0.11 3.99 0.11 -1.95 -1.22 114.38 118.88 2dks h ARG 89 Ca -0.38 -0.07 -0.08 0.00 0.10 0.00 0.00 59.98 59.55 2dks h ARG 89 Cb 1.22 -0.26 -0.01 0.00 1.11 0.00 0.00 29.97 32.03 2dks h ARG 89 CO 0.64 0.75 -0.28 -0.91 0.10 0.00 0.00 179.97 180.27 2dks h ASN 90 N 1.17 0.20 -1.01 0.08 4.21 -1.96 -2.85 115.58 115.43 2dks h ASN 90 Ca 0.40 -0.06 0.23 0.00 1.21 0.00 0.00 56.30 58.08 2dks h ASN 90 Cb 0.09 -0.06 -0.10 0.00 -1.12 0.00 0.00 38.32 37.14 2dks h ASN 90 CO -0.14 0.49 0.63 -0.78 -1.29 0.00 0.00 177.43 176.33 2dks h ASP 91 N 0.19 0.60 -1.41 5.81 1.82 -1.62 -3.42 116.42 118.40 2dks h ASP 91 Ca 0.03 0.10 -0.74 0.00 -0.39 0.00 0.00 57.03 56.02 2dks h ASP 91 Cb 0.60 -0.01 0.04 0.00 0.68 0.00 0.00 39.33 40.64 2dks h ASP 91 CO 0.04 0.16 0.52 0.41 -1.61 0.00 0.00 179.24 178.76 2dks n THR 92 N -4.72 0.08 0.00 2.25 -1.04 -1.08 -4.62 114.28 105.15 2dks n THR 92 Ca 0.24 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 2dks n THR 92 Cb 0.73 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 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 2.93 -0.87 3.51 3.41 0.00 -1.26 -5.06 105.19 107.85 2dks n GLY 93 Ca 0.22 0.62 -0.16 0.00 0.00 0.00 0.00 46.02 46.71 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 -0.62 -0.05 1.61 0.01 -1.26 -4.79 113.70 104.59 2dks s SER 94 Ca 0.00 0.92 -0.02 0.00 1.31 0.00 0.00 55.95 58.16 2dks s SER 94 Cb 0.00 0.86 0.04 0.00 0.21 0.00 0.00 66.02 67.13 2dks s SER 94 CO 0.00 -0.43 0.11 -0.31 0.41 0.00 0.00 173.24 173.02 2dks s TYR 95 N -0.53 -0.09 -0.17 2.43 1.51 -1.26 -3.59 117.35 115.64 2dks s TYR 95 Ca -0.06 0.37 -0.08 0.00 -1.01 0.00 0.00 57.07 56.28 2dks s TYR 95 Cb -0.02 -0.16 -0.04 0.00 -0.11 0.00 0.00 41.96 41.62 2dks s TYR 95 CO 0.05 -0.15 0.11 0.99 -1.11 0.00 0.00 175.55 175.45 2dks s THR 96 N 1.25 5.25 -0.27 -0.71 2.01 -1.16 -0.90 115.64 121.10 2dks s THR 96 Ca -0.08 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.06 2dks s THR 96 Cb -0.12 -3.35 0.06 0.00 0.01 0.00 0.00 72.50 69.09 2dks s THR 96 CO -0.05 0.50 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.08 2dks s LEU 97 N -0.05 3.56 -0.02 4.42 1.98 -0.73 -0.20 118.68 127.64 2dks s LEU 97 Ca 0.09 -1.35 -0.11 0.00 -2.89 0.00 0.00 54.13 49.87 2dks s LEU 97 Cb -0.12 -1.60 -0.05 0.00 0.66 0.00 0.00 46.19 45.09 2dks s LEU 97 CO 0.00 -0.21 0.32 -1.58 -1.89 0.00 0.00 176.35 173.00 2dks s GLN 98 N 1.15 3.74 -0.21 1.98 0.74 0.52 -2.75 119.66 124.83 2dks s GLN 98 Ca -0.08 0.19 0.01 0.00 0.05 0.00 0.00 55.36 55.54 2dks s GLN 98 Cb -0.20 -3.17 0.05 0.00 1.10 0.00 0.00 33.01 30.79 2dks s GLN 98 CO -0.04 0.70 -0.10 0.08 -0.55 0.00 0.00 175.29 175.38 2dks s VAL 99 N -1.12 1.69 0.16 1.34 1.01 -1.18 -0.92 120.40 121.38 2dks s VAL 99 Ca 0.23 -1.12 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 2dks s VAL 99 Cb -0.15 -1.80 -0.08 0.00 0.00 0.00 0.00 36.38 34.35 2dks s VAL 99 CO 0.12 0.10 0.72 -0.63 0.00 0.00 0.00 175.10 175.42 2dks s ILE 100 N 1.36 4.48 0.17 2.22 1.09 -0.39 -0.28 121.20 129.86 2dks s ILE 100 Ca -0.03 1.51 0.07 0.00 -1.10 0.00 0.00 60.65 61.11 2dks s ILE 100 Cb -0.17 -4.03 -0.04 0.00 -1.06 0.00 0.00 42.46 37.16 2dks s ILE 100 CO -0.08 0.46 0.01 -0.54 -0.10 0.00 0.00 174.94 174.69 2dks s LYS 101 N -1.33 2.46 0.48 2.79 3.01 -0.30 0.24 119.74 127.08 2dks s LYS 101 Ca 0.36 -1.08 0.21 0.00 -1.01 0.00 0.00 55.97 54.45 2dks s LYS 101 Cb -0.21 -2.39 1.13 0.00 -1.01 0.00 0.00 37.83 35.35 2dks s LYS 101 CO 0.24 0.46 1.59 -0.07 0.51 0.00 0.00 175.35 178.07 2dks h LEU 102 N 2.70 0.00 -2.95 3.17 -0.00 -1.67 -0.52 115.31 116.04 2dks h LEU 102 Ca -0.47 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.21 2dks h LEU 102 Cb 1.20 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.76 2dks h LEU 102 CO 0.59 0.00 0.26 -0.46 -0.00 0.00 0.00 178.44 178.82 2dks n ASN 103 N -2.43 4.40 -3.95 -0.43 6.94 -1.26 -4.81 115.26 113.72 2dks n ASN 103 Ca -0.01 -2.68 -0.32 0.00 -0.02 0.00 0.00 54.58 51.54 2dks n ASN 103 Cb 0.34 -0.80 -0.03 0.00 -2.36 0.00 0.00 39.78 36.93 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 0.22 -1.46 -4.75 -4.53 4.77 -0.22 -4.93 117.00 106.10 2dks n LEU 104 Ca 0.21 -0.79 -0.29 0.00 -0.03 0.00 0.00 56.01 55.10 2dks n LEU 104 Cb 0.77 -1.97 -0.07 0.00 -2.33 0.00 0.00 43.42 39.81 2dks n LEU 104 CO 0.24 0.22 -0.19 -0.04 -1.33 0.00 0.00 177.39 176.28 2dks s MET 105 N -6.63 2.16 -0.04 3.23 -1.94 -1.14 -4.95 119.30 110.00 2dks s MET 105 Ca 0.63 -2.17 -0.11 0.00 -1.71 0.00 0.00 55.69 52.33 2dks s MET 105 Cb -0.35 -1.74 0.02 0.00 2.01 0.00 0.00 34.83 34.77 2dks s MET 105 CO 0.78 -0.29 0.26 -1.54 -0.01 0.00 0.00 175.02 174.21 2dks s SER 106 N -3.92 -0.17 0.46 3.03 1.04 -1.26 -1.14 113.70 111.74 2dks s SER 106 Ca 0.24 0.16 0.06 0.00 0.48 0.00 0.00 55.95 56.89 2dks s SER 106 Cb 0.03 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 66.50 2dks s SER 106 CO 0.13 -0.32 0.26 -1.61 0.98 0.00 0.00 173.24 172.68 2dks s GLU 107 N -0.88 2.27 -0.05 4.02 0.41 0.62 -4.89 118.70 120.20 2dks s GLU 107 Ca -0.10 -1.91 -0.02 0.00 -0.41 0.00 0.00 54.97 52.53 2dks s GLU 107 Cb -0.05 -2.03 0.03 0.00 -1.78 0.00 0.00 34.13 30.30 2dks s GLU 107 CO 0.02 -0.30 0.11 -1.21 -0.49 0.00 0.00 175.26 173.39 2dks s GLU 108 N -4.04 0.07 -0.26 1.61 2.02 -1.26 -3.10 118.70 113.74 2dks s GLU 108 Ca 0.37 0.26 -0.03 0.00 0.02 0.00 0.00 54.97 55.59 2dks s GLU 108 Cb 0.01 -0.13 0.15 0.00 0.10 0.00 0.00 34.13 34.26 2dks s GLU 108 CO 0.21 -0.12 0.47 0.54 0.02 0.00 0.00 175.26 176.38 2dks s VAL 109 N 0.82 -0.76 -0.60 2.63 0.11 -1.11 -4.85 120.40 116.65 2dks s VAL 109 Ca -0.06 -0.02 -0.28 0.00 -2.93 0.00 0.00 61.98 58.68 2dks s VAL 109 Cb -0.09 -0.87 0.03 0.00 -1.53 0.00 0.00 36.38 33.92 2dks s VAL 109 CO -0.04 -0.06 1.24 -0.89 -3.33 0.00 0.00 175.10 172.02 2dks s THR 110 N 2.67 3.94 -0.15 5.04 2.01 -1.26 -1.76 115.64 126.13 2dks s THR 110 Ca 0.14 0.81 -0.01 0.00 0.31 0.00 0.00 61.69 62.94 2dks s THR 110 Cb -0.15 -4.71 0.04 0.00 0.01 0.00 0.00 72.50 67.69 2dks s THR 110 CO -0.17 -1.38 -0.06 -0.83 -0.69 0.00 0.00 174.62 171.49 2dks s GLY 111 N 3.28 0.89 0.24 4.40 0.00 -0.08 -4.76 107.32 111.30 2dks s GLY 111 Ca 0.43 -0.71 0.04 0.00 0.00 0.00 0.00 44.72 44.48 2dks s GLY 111 CO 0.24 0.92 0.15 0.61 0.00 0.00 0.00 173.10 175.02 2dks n GLN 112 N 4.91 0.43 -4.22 2.90 0.00 -1.26 -4.00 117.38 116.14 2dks n GLN 112 Ca -0.12 -2.26 -0.17 0.00 0.00 0.00 0.00 57.00 54.45 2dks n GLN 112 Cb 0.49 1.62 -0.07 0.00 0.00 0.00 0.00 30.24 32.27 2dks n GLN 112 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 2dks s PHE 113 N -2.78 1.50 0.01 2.61 -0.71 -1.26 -4.48 117.98 112.86 2dks s PHE 113 Ca 0.22 -1.53 0.06 0.00 -1.04 0.00 0.00 56.93 54.64 2dks s PHE 113 Cb 0.01 -0.54 -0.02 0.00 -1.21 0.00 0.00 43.02 41.27 2dks s PHE 113 CO 0.15 -0.90 -0.17 -1.12 -1.34 0.00 0.00 175.22 171.84 2dks s SER 114 N -3.31 2.06 0.14 1.98 0.01 -1.22 -4.12 113.70 109.23 2dks s SER 114 Ca 0.38 -0.38 0.11 0.00 1.31 0.00 0.00 55.95 57.37 2dks s SER 114 Cb 0.02 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 2dks s SER 114 CO 0.24 0.17 -0.25 -0.69 0.41 0.00 0.00 173.24 173.12 2dks s VAL 115 N -0.56 2.37 -0.06 3.43 1.01 -1.26 -2.42 120.40 122.92 2dks s VAL 115 Ca 0.06 -1.75 -0.05 0.00 0.00 0.00 0.00 61.98 60.24 2dks s VAL 115 Cb -0.07 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.26 2dks s VAL 115 CO 0.00 0.07 0.14 -1.38 0.00 0.00 0.00 175.10 173.93 2dks s HIS 116 N -1.15 -0.16 0.82 5.22 -3.43 -0.60 -4.82 115.29 111.17 2dks s HIS 116 Ca 0.16 0.40 -0.11 0.00 -0.80 0.00 0.00 55.06 54.70 2dks s HIS 116 Cb -0.10 0.04 0.09 0.00 -1.43 0.00 0.00 32.58 31.17 2dks s HIS 116 CO 0.07 -0.09 1.09 -1.25 -2.00 0.00 0.00 174.74 172.57 2dks s PRO 117 N 0.23 1.85 -0.33 -0.38 0.04 -1.26 -3.30 135.00 131.84 2dks s PRO 117 Ca -0.01 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.01 2dks s PRO 117 Cb -0.02 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.66 2dks s PRO 117 CO -0.01 -1.89 2.84 0.39 0.04 0.00 0.00 177.00 178.38 2dks n GLU 118 N -3.67 2.22 -3.84 4.56 -0.58 -1.26 -4.85 120.64 113.22 2dks n GLU 118 Ca 0.08 -1.93 -0.12 0.00 -0.42 0.00 0.00 57.16 54.77 2dks n GLU 118 Cb 0.54 -2.03 -0.13 0.00 -0.57 0.00 0.00 31.44 29.25 2dks n GLU 118 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 2dks s THR 119 N -1.54 0.00 0.48 2.62 -1.32 -1.26 -5.15 115.64 109.48 2dks s THR 119 Ca 0.56 -0.04 -0.22 0.00 -1.21 0.00 0.00 61.69 60.78 2dks s THR 119 Cb 0.35 -0.17 -0.07 0.00 -1.51 0.00 0.00 72.50 71.10 2dks s THR 119 CO -0.15 -0.02 1.16 -2.16 -2.21 0.00 0.00 174.62 171.24 2dks s PRO 120 N -0.02 3.64 -0.02 7.08 0.04 -1.26 -5.06 135.00 139.41 2dks s PRO 120 Ca -0.01 1.73 0.02 0.00 0.04 0.00 0.00 61.00 62.78 2dks s PRO 120 Cb -0.01 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2dks s PRO 120 CO 0.00 -0.64 -0.08 0.21 0.04 0.00 0.00 177.00 176.53 2dks s LYS 121 N -2.87 0.79 -0.93 4.56 2.20 -1.26 -5.08 119.74 117.15 2dks s LYS 121 Ca 0.66 -0.28 -0.24 0.00 -0.36 0.00 0.00 55.97 55.75 2dks s LYS 121 Cb -0.27 -0.75 -0.05 0.00 -1.51 0.00 0.00 37.83 35.24 2dks s LYS 121 CO 0.32 0.13 1.94 -1.25 -0.36 0.00 0.00 175.35 176.13 2dks s PRO 122 N 0.06 2.56 0.10 4.03 0.04 -1.26 -4.88 135.00 135.65 2dks s PRO 122 Ca -0.01 -0.38 -0.20 0.00 0.04 0.00 0.00 61.00 60.46 2dks s PRO 122 Cb -0.06 -5.08 0.05 0.00 0.04 0.00 0.00 34.50 29.44 2dks s PRO 122 CO 0.00 -3.43 0.48 -1.54 0.04 0.00 0.00 177.00 172.55 2dks s SER 123 N 7.87 -0.37 -0.03 6.66 1.04 -1.26 -5.17 113.70 122.44 2dks s SER 123 Ca 0.70 -0.07 -0.01 0.00 0.48 0.00 0.00 55.95 57.05 2dks s SER 123 Cb -0.06 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 2dks s SER 123 CO 0.01 -0.82 0.08 -0.51 0.98 0.00 0.00 173.24 172.98 2dks s ILE 124 N -3.25 4.81 0.34 -1.02 1.10 -1.26 -5.08 121.20 116.84 2dks s ILE 124 Ca -0.01 -0.30 -0.29 0.00 -0.51 0.00 0.00 60.65 59.54 2dks s ILE 124 Cb 0.00 -3.17 -0.11 0.00 0.15 0.00 0.00 42.46 39.34 2dks s ILE 124 CO -0.08 0.41 1.46 -0.55 -2.11 0.00 0.00 174.94 174.07 2dks s SER 125 N -1.56 6.47 0.00 4.50 0.15 -1.26 -4.98 113.70 117.02 2dks s SER 125 Ca 0.21 2.92 0.00 0.00 0.70 0.00 0.00 55.95 59.78 2dks s SER 125 Cb -0.12 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 2dks s SER 125 CO 0.12 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.37 2dks n GLY 126 N 1.03 1.64 3.76 9.45 0.00 -1.26 -5.15 105.19 114.66 2dks n GLY 126 Ca 0.03 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.00 4.44 -0.52 1.61 0.04 -1.26 -5.01 135.00 132.30 2dks s PRO 127 Ca 0.00 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.13 2dks s PRO 127 Cb 0.00 -3.14 0.14 0.00 0.04 0.00 0.00 34.50 31.54 2dks s PRO 127 CO 0.00 -0.10 0.29 0.45 0.04 0.00 0.00 177.00 177.68 2dks s SER 128 N -0.34 4.12 0.13 6.66 0.15 -1.26 -5.07 113.70 118.09 2dks s SER 128 Ca 0.50 -3.02 -0.25 0.00 0.70 0.00 0.00 55.95 53.88 2dks s SER 128 Cb -0.37 -1.44 0.08 0.00 -1.71 0.00 0.00 66.02 62.58 2dks s SER 128 CO 0.45 -0.22 1.03 -0.94 1.20 0.00 0.00 173.24 174.76 2dks s SER 129 N -0.25 -0.13 0.00 5.45 1.04 -1.26 -5.36 113.70 113.19 2dks s SER 129 Ca 0.19 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2dks s SER 129 Cb -0.22 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2dks s SER 129 CO -0.03 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 173.99