#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 5.91 -0.10 1.61 0.15 -1.26 -5.05 113.70 114.95 2dks s SER 2 Ca 0.00 -1.52 0.04 0.00 0.70 0.00 0.00 55.95 55.16 2dks s SER 2 Cb 0.00 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 2dks s SER 2 CO 0.00 -0.64 -0.23 -0.94 1.20 0.00 0.00 173.24 172.63 2dks s SER 3 N 2.56 2.97 0.00 5.45 1.04 -1.26 -5.12 113.70 119.34 2dks s SER 3 Ca 0.04 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.93 2dks s SER 3 Cb -0.25 -1.36 0.00 0.00 0.10 0.00 0.00 66.02 64.51 2dks s SER 3 CO 0.04 0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.00 2dks n GLY 4 N 3.62 2.16 3.73 7.32 0.00 -1.26 -5.06 105.19 115.69 2dks n GLY 4 Ca -0.19 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.72 7.46 -0.10 1.61 0.15 -1.26 -5.04 113.70 115.80 2dks s SER 5 Ca 0.00 1.75 -0.30 0.00 0.70 0.00 0.00 55.95 58.09 2dks s SER 5 Cb 0.00 -2.58 0.10 0.00 -1.71 0.00 0.00 66.02 61.83 2dks s SER 5 CO 0.00 -0.07 0.84 -0.94 1.20 0.00 0.00 173.24 174.27 2dks s SER 6 N 0.08 -0.51 -0.18 5.45 1.04 -1.26 -5.09 113.70 113.23 2dks s SER 6 Ca 0.47 0.54 -0.14 0.00 0.48 0.00 0.00 55.95 57.29 2dks s SER 6 Cb -0.23 0.42 -0.08 0.00 0.10 0.00 0.00 66.02 66.23 2dks s SER 6 CO 0.29 -0.48 -0.17 0.61 0.98 0.00 0.00 173.24 174.47 2dks n GLY 7 N 0.77 -0.77 3.64 7.32 0.00 -1.26 -4.98 105.19 109.91 2dks n GLY 7 Ca -0.14 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 2dks n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dks s THR 8 N -2.47 2.15 0.08 2.61 -4.23 -1.26 -5.08 115.64 107.45 2dks s THR 8 Ca -0.24 0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.33 2dks s THR 8 Cb 0.05 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 2dks s THR 8 CO 0.37 -0.06 -0.05 0.00 -0.54 0.00 0.00 174.62 174.34 2dks s ALA 9 N -2.83 0.78 -0.18 3.99 0.00 -1.26 -5.16 121.76 117.10 2dks s ALA 9 Ca 0.66 -1.27 -0.14 0.00 0.00 0.00 0.00 51.96 51.21 2dks s ALA 9 Cb -0.20 0.20 0.05 0.00 0.00 0.00 0.00 23.12 23.17 2dks s ALA 9 CO 0.59 -0.28 0.46 1.14 0.00 0.00 0.00 175.76 177.67 2dks s GLN 10 N -3.77 0.50 -0.35 0.00 -2.07 -1.26 -5.11 119.66 107.60 2dks s GLN 10 Ca 0.09 0.74 -0.37 0.00 -1.82 0.00 0.00 55.36 54.00 2dks s GLN 10 Cb 0.06 0.15 -0.13 0.00 -1.09 0.00 0.00 33.01 32.00 2dks s GLN 10 CO -0.07 -0.10 2.10 -0.11 -1.32 0.00 0.00 175.29 175.79 2dks n LEU 11 N 3.46 2.02 -4.45 2.60 7.94 -1.26 -4.66 117.00 122.65 2dks n LEU 11 Ca -0.17 0.57 -0.22 0.00 -1.11 0.00 0.00 56.01 55.08 2dks n LEU 11 Cb 0.56 -1.20 -0.11 0.00 0.53 0.00 0.00 43.42 43.21 2dks n LEU 11 CO 0.09 -0.67 -0.28 0.28 -1.11 0.00 0.00 177.39 175.71 2dks s THR 12 N 6.42 1.25 -0.01 1.96 -1.32 -1.09 -4.61 115.64 118.24 2dks s THR 12 Ca 1.09 -2.01 -0.01 0.00 -1.21 0.00 0.00 61.69 59.54 2dks s THR 12 Cb -0.98 -2.75 0.00 0.00 -1.51 0.00 0.00 72.50 67.26 2dks s THR 12 CO 0.54 -0.04 0.04 -0.63 -2.21 0.00 0.00 174.62 172.32 2dks s ILE 13 N -3.26 0.00 -0.24 5.08 1.01 -1.26 -2.08 121.20 120.45 2dks s ILE 13 Ca 0.36 -0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.96 2dks s ILE 13 Cb 0.08 -0.07 0.07 0.00 0.01 0.00 0.00 42.46 42.56 2dks s ILE 13 CO 0.15 -0.01 0.04 -0.70 0.00 0.00 0.00 174.94 174.41 2dks s GLU 14 N -0.02 0.87 0.27 2.79 2.12 -0.93 -4.79 118.70 119.01 2dks s GLU 14 Ca -0.00 -0.72 -0.31 0.00 0.36 0.00 0.00 54.97 54.30 2dks s GLU 14 Cb -0.01 -2.18 -0.12 0.00 0.26 0.00 0.00 34.13 32.09 2dks s GLU 14 CO 0.00 -0.73 1.55 0.00 -0.54 0.00 0.00 175.26 175.54 2dks n ALA 15 N 4.92 2.12 -3.69 6.30 0.00 -1.26 -2.75 120.51 126.15 2dks n ALA 15 Ca -0.08 0.39 -0.28 0.00 0.00 0.00 0.00 53.44 53.48 2dks n ALA 15 Cb 0.45 -2.41 -0.16 0.00 0.00 0.00 0.00 19.45 17.33 2dks n ALA 15 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2dks s VAL 16 N 0.11 0.35 1.08 0.00 1.01 -0.08 -2.72 120.40 120.15 2dks s VAL 16 Ca 0.67 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 2dks s VAL 16 Cb -0.55 -0.98 0.27 0.00 0.00 0.00 0.00 36.38 35.13 2dks s VAL 16 CO 0.47 -0.32 0.96 -0.81 0.00 0.00 0.00 175.10 175.40 2dks n PRO 17 N 5.11 -2.90 0.01 2.72 -0.04 -1.26 -0.23 135.00 138.41 2dks n PRO 17 Ca -0.08 -1.54 -0.02 0.00 -0.04 0.00 0.00 63.50 61.82 2dks n PRO 17 Cb 0.47 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 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 -4.65 0.79 -3.57 3.54 2.88 -1.10 -4.67 113.62 106.84 2dks n SER 18 Ca 0.13 0.36 -0.29 0.00 -1.33 0.00 0.00 58.87 57.74 2dks n SER 18 Cb 0.52 0.20 -0.12 0.00 -0.75 0.00 0.00 64.21 64.06 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 3.08 0.65 -3.46 4.22 -1.26 -3.64 114.94 108.72 2dks s ASN 19 Ca -0.04 -2.58 -0.02 0.00 -2.14 0.00 0.00 52.86 48.08 2dks s ASN 19 Cb 0.08 -0.71 0.06 0.00 1.28 0.00 0.00 41.25 41.97 2dks s ASN 19 CO 0.82 -0.26 0.91 0.00 -2.04 0.00 0.00 177.10 176.53 2dks s ALA 20 N 0.51 3.56 0.44 3.54 0.00 -1.15 -4.88 121.76 123.77 2dks s ALA 20 Ca 0.21 -1.26 0.07 0.00 0.00 0.00 0.00 51.96 50.98 2dks s ALA 20 Cb -0.18 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 2dks s ALA 20 CO -0.03 -1.12 0.18 0.00 0.00 0.00 0.00 175.76 174.79 2dks s ALA 21 N -3.03 3.72 -0.08 0.00 0.00 -1.26 -1.34 121.76 119.76 2dks s ALA 21 Ca 0.60 -1.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.41 2dks s ALA 21 Cb -0.09 -0.36 -0.07 0.00 0.00 0.00 0.00 23.12 22.60 2dks s ALA 21 CO 0.42 -0.19 2.04 -1.21 0.00 0.00 0.00 175.76 176.82 2dks s GLU 22 N -3.94 3.73 0.00 0.00 2.02 -1.26 -1.12 118.70 118.14 2dks s GLU 22 Ca 0.37 2.32 0.00 0.00 0.02 0.00 0.00 54.97 57.68 2dks s GLU 22 Cb 0.03 -4.23 0.00 0.00 0.10 0.00 0.00 34.13 30.03 2dks s GLU 22 CO 0.20 -1.42 0.00 0.41 0.02 0.00 0.00 175.26 174.48 2dks n GLY 23 N 5.01 0.51 4.00 -1.39 0.00 0.43 -4.99 105.19 108.77 2dks n GLY 23 Ca 0.24 0.00 -0.21 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 -0.82 2.18 0.16 1.61 -0.14 -0.28 -4.33 119.74 118.12 2dks s LYS 24 Ca 0.00 -1.14 0.07 0.00 -1.36 0.00 0.00 55.97 53.55 2dks s LYS 24 Cb 0.00 -2.49 -0.04 0.00 -1.68 0.00 0.00 37.83 33.62 2dks s LYS 24 CO 0.00 -0.99 -0.04 -1.21 -0.76 0.00 0.00 175.35 172.35 2dks s GLU 25 N -4.85 2.29 -0.05 1.68 8.01 -1.26 -0.44 118.70 124.08 2dks s GLU 25 Ca 0.62 -1.11 -0.02 0.00 0.01 0.00 0.00 54.97 54.47 2dks s GLU 25 Cb -0.07 -2.32 0.03 0.00 -4.31 0.00 0.00 34.13 27.45 2dks s GLU 25 CO 0.40 0.47 0.04 0.08 0.01 0.00 0.00 175.26 176.26 2dks s VAL 26 N -1.60 0.07 -0.38 2.63 1.01 0.49 -4.39 120.40 118.24 2dks s VAL 26 Ca 0.26 0.31 -0.13 0.00 0.00 0.00 0.00 61.98 62.42 2dks s VAL 26 Cb -0.10 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.01 2dks s VAL 26 CO 0.17 0.21 0.24 -0.22 0.00 0.00 0.00 175.10 175.50 2dks s LEU 27 N 2.10 4.82 -0.80 3.92 2.96 0.69 -0.36 118.68 132.00 2dks s LEU 27 Ca 0.05 -0.87 -0.24 0.00 -0.22 0.00 0.00 54.13 52.85 2dks s LEU 27 Cb -0.12 -2.09 0.06 0.00 0.50 0.00 0.00 46.19 44.54 2dks s LEU 27 CO -0.04 -0.38 1.20 -0.76 -1.32 0.00 0.00 176.35 175.04 2dks s LEU 28 N 1.62 3.89 0.80 -0.68 1.43 -0.62 -0.91 118.68 124.21 2dks s LEU 28 Ca 0.04 -1.06 -0.11 0.00 -1.03 0.00 0.00 54.13 51.97 2dks s LEU 28 Cb -0.19 -2.49 0.07 0.00 0.03 0.00 0.00 46.19 43.61 2dks s LEU 28 CO 0.08 -1.54 1.09 -0.76 0.23 0.00 0.00 176.35 175.46 2dks s LEU 29 N 4.62 2.64 -0.05 1.79 1.43 -1.11 -3.02 118.68 124.97 2dks s LEU 29 Ca 0.33 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 54.84 2dks s LEU 29 Cb -0.09 -4.03 0.02 0.00 0.03 0.00 0.00 46.19 42.13 2dks s LEU 29 CO 0.05 -2.01 -0.03 -0.69 0.23 0.00 0.00 176.35 173.89 2dks s VAL 30 N -3.09 0.51 0.27 -1.59 1.01 -1.26 -2.18 120.40 114.07 2dks s VAL 30 Ca 0.61 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.62 2dks s VAL 30 Cb -0.15 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 2dks s VAL 30 CO 0.55 0.24 0.06 -1.00 0.00 0.00 0.00 175.10 174.95 2dks s HIS 31 N 1.24 2.80 -1.74 5.22 0.09 -0.89 -4.57 115.29 117.45 2dks s HIS 31 Ca -0.06 -0.21 0.00 0.00 -0.00 0.00 0.00 55.06 54.79 2dks s HIS 31 Cb -0.14 -1.28 0.00 0.00 -0.00 0.00 0.00 32.58 31.16 2dks s HIS 31 CO -0.02 0.57 0.00 0.09 -0.00 0.00 0.00 174.74 175.39 2dks n ASN 32 N -0.99 -5.34 -4.27 1.40 3.02 -1.26 -2.66 115.26 105.16 2dks n ASN 32 Ca -0.06 0.17 -0.34 0.00 -0.03 0.00 0.00 54.58 54.31 2dks n ASN 32 Cb 0.59 -4.43 0.10 0.00 -0.61 0.00 0.00 39.78 35.42 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 -2.47 -2.19 0.00 3.41 4.77 -1.26 -4.30 117.00 114.97 2dks n LEU 33 Ca -0.21 0.27 -0.22 0.00 -0.03 0.00 0.00 56.01 55.82 2dks n LEU 33 Cb 0.65 -1.05 0.18 0.00 -2.33 0.00 0.00 43.42 40.87 2dks n LEU 33 CO 0.27 -4.39 0.44 -0.81 -1.33 0.00 0.00 177.39 171.57 2dks n PRO 34 N -0.31 -2.58 -0.06 3.23 -0.04 -1.26 -5.02 135.00 128.96 2dks n PRO 34 Ca 0.04 -1.27 -0.07 0.00 -0.04 0.00 0.00 63.50 62.15 2dks n PRO 34 Cb 0.55 -1.19 -0.07 0.00 -0.04 0.00 0.00 33.50 32.75 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 -2.68 0.54 3.07 -1.99 -3.43 115.11 110.62 2dks h GLN 35 Ca -0.30 0.00 -0.60 0.00 0.09 0.00 0.00 58.65 57.84 2dks h GLN 35 Cb 0.91 0.00 -0.39 0.00 0.08 0.00 0.00 27.48 28.08 2dks h GLN 35 CO 0.20 0.51 -0.82 -0.51 0.09 0.00 0.00 178.83 178.29 2dks s ASP 36 N -5.89 2.82 -0.98 0.06 1.01 -1.26 -5.06 116.67 107.37 2dks s ASP 36 Ca -0.10 -2.99 -0.24 0.00 0.71 0.00 0.00 52.55 49.93 2dks s ASP 36 Cb -0.02 -0.80 -0.06 0.00 1.01 0.00 0.00 42.92 43.06 2dks s ASP 36 CO 0.35 -0.20 1.94 -2.16 0.21 0.00 0.00 175.17 175.32 2dks s PRO 37 N -0.02 2.54 0.45 8.23 0.04 -1.26 -2.56 135.00 142.43 2dks s PRO 37 Ca 0.26 -0.53 0.39 0.00 0.04 0.00 0.00 61.00 61.15 2dks s PRO 37 Cb -0.08 -5.11 1.42 0.00 0.04 0.00 0.00 34.50 30.77 2dks s PRO 37 CO -0.12 -3.54 1.33 -2.13 0.04 0.00 0.00 177.00 172.59 2dks n ARG 38 N 8.70 -0.01 0.00 4.56 0.63 0.65 -4.59 116.66 126.60 2dks n ARG 38 Ca 0.41 0.96 0.00 0.00 -0.92 0.00 0.00 57.85 58.31 2dks n ARG 38 Cb 0.47 -2.13 0.00 0.00 0.45 0.00 0.00 32.46 31.25 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 -1.69 0.99 3.79 5.14 0.00 -1.10 -2.13 105.19 110.18 2dks n GLY 39 Ca 0.37 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 3.21 -0.18 1.61 2.02 0.29 -0.91 117.35 121.39 2dks s TYR 40 Ca 0.00 0.08 -0.05 0.00 -0.37 0.00 0.00 57.07 56.73 2dks s TYR 40 Cb 0.00 -1.62 0.09 0.00 -0.40 0.00 0.00 41.96 40.03 2dks s TYR 40 CO 0.00 0.53 0.33 -0.80 -1.57 0.00 0.00 175.55 174.03 2dks s ASN 41 N -2.47 0.28 0.26 2.29 0.01 -0.08 -0.55 114.94 114.68 2dks s ASN 41 Ca 0.30 0.54 0.02 0.00 -0.71 0.00 0.00 52.86 53.00 2dks s ASN 41 Cb -0.12 0.93 -0.03 0.00 0.41 0.00 0.00 41.25 42.44 2dks s ASN 41 CO 0.23 -0.26 0.42 0.26 -1.51 0.00 0.00 177.10 176.24 2dks s TRP 42 N 2.49 3.48 0.07 2.20 0.52 -0.80 -0.07 118.94 126.83 2dks s TRP 42 Ca 0.03 0.21 -0.04 0.00 0.02 0.00 0.00 56.10 56.32 2dks s TRP 42 Cb -0.13 -1.76 -0.02 0.00 -1.15 0.00 0.00 33.47 30.41 2dks s TRP 42 CO -0.12 0.33 0.06 0.71 0.02 0.00 0.00 176.95 177.95 2dks s TYR 43 N -2.04 0.36 -0.70 -1.98 1.51 0.19 -2.86 117.35 111.84 2dks s TYR 43 Ca 0.37 -0.86 -0.14 0.00 -1.01 0.00 0.00 57.07 55.44 2dks s TYR 43 Cb -0.10 -0.25 0.18 0.00 -0.11 0.00 0.00 41.96 41.68 2dks s TYR 43 CO 0.31 -0.45 0.63 0.21 -1.11 0.00 0.00 175.55 175.15 2dks s LYS 44 N -3.86 3.26 0.00 -0.62 2.20 -0.90 -2.14 119.74 117.68 2dks s LYS 44 Ca 0.06 -2.18 0.00 0.00 -0.36 0.00 0.00 55.97 53.49 2dks s LYS 44 Cb 0.06 -4.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.08 2dks s LYS 44 CO -0.10 -1.29 0.00 0.41 -0.36 0.00 0.00 175.35 174.01 2dks n GLY 45 N 4.41 0.84 2.38 5.54 0.00 0.65 -4.87 105.19 114.14 2dks n GLY 45 Ca 0.03 -2.01 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 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 3.30 -3.63 1.61 1.02 -1.26 -1.80 120.64 119.88 2dks n GLU 46 Ca 0.00 -4.10 -0.15 0.00 -0.02 0.00 0.00 57.16 52.88 2dks n GLU 46 Cb 0.00 -2.27 -0.07 0.00 -0.02 0.00 0.00 31.44 29.08 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 -5.08 0.01 -0.95 2.62 -4.23 -1.26 -5.05 115.64 101.70 2dks s THR 47 Ca 0.52 -0.09 -0.07 0.00 -1.18 0.00 0.00 61.69 60.86 2dks s THR 47 Cb 0.42 -0.86 -0.10 0.00 1.34 0.00 0.00 72.50 73.31 2dks s THR 47 CO -0.13 -0.05 3.06 0.52 -0.54 0.00 0.00 174.62 177.48 2dks n VAL 48 N 1.71 3.95 -2.46 2.29 0.31 -1.26 -4.80 118.33 118.07 2dks n VAL 48 Ca -0.17 -2.56 -0.30 0.00 -0.01 0.00 0.00 64.34 61.29 2dks n VAL 48 Cb 0.56 -2.23 -0.01 0.00 -0.91 0.00 0.00 33.84 31.25 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 1.64 6.40 0.00 4.52 1.47 -1.26 -4.99 116.67 124.44 2dks s ASP 49 Ca 0.65 1.23 0.18 0.00 1.18 0.00 0.00 52.55 55.80 2dks s ASP 49 Cb 0.25 -2.37 -0.16 0.00 -0.34 0.00 0.00 42.92 40.29 2dks s ASP 49 CO -0.06 -0.60 0.82 0.00 0.68 0.00 0.00 175.17 176.00 2dks n ALA 50 N -1.98 4.18 0.06 2.11 0.00 -1.26 -3.97 120.51 119.65 2dks n ALA 50 Ca 0.04 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2dks n ALA 50 Cb 0.54 -0.67 -0.05 0.00 0.00 0.00 0.00 19.45 19.27 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 0.46 0.00 -0.44 0.00 2.35 -1.99 -3.31 115.58 112.65 2dks h ASN 51 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2dks h ASN 51 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2dks h ASN 51 CO 0.00 0.59 0.00 0.54 -1.65 0.00 0.00 177.43 176.91 2dks n ARG 52 N -3.01 3.17 -1.75 0.81 5.12 -1.26 -4.66 116.66 115.07 2dks n ARG 52 Ca -0.06 -2.56 -0.42 0.00 -1.93 0.00 0.00 57.85 52.88 2dks n ARG 52 Cb 0.82 -1.64 -0.02 0.00 -1.16 0.00 0.00 32.46 30.46 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 -1.76 4.12 -0.15 5.56 3.52 -1.25 -2.12 118.95 126.87 2dks s ARG 53 Ca 0.38 2.60 -0.11 0.00 -0.13 0.00 0.00 55.73 58.48 2dks s ARG 53 Cb 0.25 -3.04 -0.06 0.00 -1.56 0.00 0.00 34.95 30.54 2dks s ARG 53 CO 0.17 -0.69 -0.07 0.82 -0.81 0.00 0.00 175.30 174.73 2dks h ILE 54 N 3.56 0.21 -1.66 4.11 2.04 -1.81 -2.91 117.51 121.06 2dks h ILE 54 Ca -0.45 -1.24 0.05 0.00 1.00 0.00 0.00 64.86 64.21 2dks h ILE 54 Cb 1.21 0.48 -0.24 0.00 -0.74 0.00 0.00 36.82 37.53 2dks h ILE 54 CO 0.86 0.07 0.43 -0.51 0.00 0.00 0.00 178.15 179.01 2dks s ILE 55 N -2.18 0.00 -0.04 -0.67 2.07 -1.25 -1.43 121.20 117.70 2dks s ILE 55 Ca -0.16 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.10 2dks s ILE 55 Cb 0.02 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.63 2dks s ILE 55 CO 0.27 0.00 -0.08 -0.83 -1.91 0.00 0.00 174.94 172.39 2dks s GLY 56 N -0.31 0.57 0.04 1.50 0.00 -1.08 -1.91 107.32 106.14 2dks s GLY 56 Ca 0.00 -0.26 0.09 0.00 0.00 0.00 0.00 44.72 44.55 2dks s GLY 56 CO -0.02 0.13 -0.24 -0.47 0.00 0.00 0.00 173.10 172.50 2dks s TYR 57 N 0.54 2.38 -0.22 1.90 5.04 0.29 -1.15 117.35 126.12 2dks s TYR 57 Ca -0.09 -0.37 0.02 0.00 -2.44 0.00 0.00 57.07 54.19 2dks s TYR 57 Cb -0.12 -1.41 0.05 0.00 0.35 0.00 0.00 41.96 40.82 2dks s TYR 57 CO 0.01 0.16 -0.13 0.08 -1.34 0.00 0.00 175.55 174.33 2dks s VAL 58 N -0.83 1.98 0.25 3.14 1.01 0.12 -0.55 120.40 125.52 2dks s VAL 58 Ca 0.12 -1.28 -0.04 0.00 0.00 0.00 0.00 61.98 60.78 2dks s VAL 58 Cb -0.10 -2.01 0.16 0.00 0.00 0.00 0.00 36.38 34.43 2dks s VAL 58 CO 0.03 0.16 1.81 0.40 0.00 0.00 0.00 175.10 177.50 2dks h ILE 59 N 6.46 1.24 -0.56 2.22 2.04 -1.69 1.29 117.51 128.51 2dks h ILE 59 Ca -0.28 -0.81 0.05 0.00 1.00 0.00 0.00 64.86 64.82 2dks h ILE 59 Cb 1.08 0.48 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 2dks h ILE 59 CO 0.51 0.32 -0.33 -0.24 0.00 0.00 0.00 178.15 178.41 2dks n SER 60 N -4.28 -0.59 -0.13 1.72 2.88 -1.21 -2.02 113.62 109.99 2dks n SER 60 Ca 0.06 1.20 0.01 0.00 -1.33 0.00 0.00 58.87 58.80 2dks n SER 60 Cb 0.20 -0.23 0.03 0.00 -0.75 0.00 0.00 64.21 63.47 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 -4.37 2.16 -3.44 -3.46 6.94 -1.21 -5.00 115.26 106.88 2dks n ASN 61 Ca 0.01 -1.98 -0.18 0.00 -0.02 0.00 0.00 54.58 52.41 2dks n ASN 61 Cb 0.15 -0.04 0.07 0.00 -2.36 0.00 0.00 39.78 37.59 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 -0.29 -4.69 -4.02 -3.83 6.02 0.43 -5.00 117.38 106.00 2dks n GLN 62 Ca 0.02 0.79 -0.32 0.00 -0.01 0.00 0.00 57.00 57.49 2dks n GLN 62 Cb 0.28 -5.64 -0.06 0.00 1.02 0.00 0.00 30.24 25.85 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 -5.21 3.14 -0.04 -1.09 2.00 -0.20 -4.86 119.66 113.39 2dks s GLN 63 Ca 0.17 -0.52 0.03 0.00 -2.00 0.00 0.00 55.36 53.03 2dks s GLN 63 Cb -0.03 -2.89 0.01 0.00 0.80 0.00 0.00 33.01 30.90 2dks s GLN 63 CO 0.75 0.62 -0.11 0.42 -0.50 0.00 0.00 175.29 176.47 2dks s ILE 64 N -1.35 1.01 -0.33 -2.34 1.01 -1.26 0.11 121.20 118.06 2dks s ILE 64 Ca 0.28 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.48 2dks s ILE 64 Cb -0.12 -0.91 0.11 0.00 0.01 0.00 0.00 42.46 41.55 2dks s ILE 64 CO 0.20 0.31 0.12 -0.89 0.00 0.00 0.00 174.94 174.69 2dks s THR 65 N 0.38 0.84 -0.06 2.92 2.01 -0.30 -5.00 115.64 116.42 2dks s THR 65 Ca -0.08 -1.50 -0.30 0.00 0.31 0.00 0.00 61.69 60.12 2dks s THR 65 Cb -0.12 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.71 2dks s THR 65 CO 0.02 -0.72 1.49 -2.16 -0.69 0.00 0.00 174.62 172.56 2dks s PRO 66 N 1.48 4.22 0.46 4.92 0.04 -1.26 -2.63 135.00 142.23 2dks s PRO 66 Ca 0.11 2.01 -0.08 0.00 0.04 0.00 0.00 61.00 63.09 2dks s PRO 66 Cb -0.18 -3.80 0.11 0.00 0.04 0.00 0.00 34.50 30.67 2dks s PRO 66 CO -0.22 -0.73 0.50 0.41 0.04 0.00 0.00 177.00 177.00 2dks n GLY 67 N 3.87 -1.96 0.23 0.56 0.00 -0.51 -4.91 105.19 102.47 2dks n GLY 67 Ca 0.15 -1.57 0.10 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.87 1.61 0.13 -1.83 -2.78 132.00 128.25 2dks h PRO 68 Ca -0.17 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.85 2dks h PRO 68 Cb 0.51 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.58 2dks h PRO 68 CO 0.12 0.23 0.13 0.00 -0.23 0.00 0.00 178.00 178.25 2dks n ALA 69 N -2.26 3.54 -2.85 -0.56 0.00 -1.10 -4.83 120.51 112.45 2dks n ALA 69 Ca -0.00 -1.16 -0.38 0.00 0.00 0.00 0.00 53.44 51.90 2dks n ALA 69 Cb 0.39 -1.13 -0.12 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.80 3.16 -0.82 0.00 5.04 -1.05 -4.71 117.35 117.17 2dks s TYR 70 Ca 0.28 -0.36 0.16 0.00 -2.44 0.00 0.00 57.07 54.72 2dks s TYR 70 Cb 0.22 -2.33 0.62 0.00 0.35 0.00 0.00 41.96 40.82 2dks s TYR 70 CO 0.07 -0.36 1.54 0.43 -1.34 0.00 0.00 175.55 175.89 2dks n SER 71 N 4.99 4.37 -2.15 4.32 7.64 -1.26 -4.93 113.62 126.59 2dks n SER 71 Ca -0.14 -2.53 -0.18 0.00 1.01 0.00 0.00 58.87 57.02 2dks n SER 71 Cb 0.50 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 2dks n SER 71 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2dks n ASN 72 N 0.64 -5.17 -0.00 6.43 3.02 -1.26 -4.86 115.26 114.06 2dks n ASN 72 Ca 0.23 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 2dks n ASN 72 Cb 0.84 -4.18 -0.00 0.00 -0.61 0.00 0.00 39.78 35.83 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 -2.92 5.75 -4.21 3.52 1.74 -1.26 -5.03 116.66 114.25 2dks n ARG 73 Ca -0.17 -0.08 -0.30 0.00 -0.77 0.00 0.00 57.85 56.53 2dks n ARG 73 Cb 0.64 -0.58 -0.09 0.00 -1.02 0.00 0.00 32.46 31.41 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 -0.85 2.30 -0.03 5.56 8.01 -1.26 -2.38 118.70 130.05 2dks s GLU 74 Ca 0.00 -0.94 -0.01 0.00 0.01 0.00 0.00 54.97 54.02 2dks s GLU 74 Cb 0.00 -2.40 0.02 0.00 -4.31 0.00 0.00 34.13 27.45 2dks s GLU 74 CO 0.00 0.52 0.07 0.99 0.01 0.00 0.00 175.26 176.85 2dks s THR 75 N -1.23 -0.04 0.81 3.63 2.01 -0.94 -4.97 115.64 114.92 2dks s THR 75 Ca 0.23 0.13 -0.12 0.00 0.31 0.00 0.00 61.69 62.24 2dks s THR 75 Cb -0.11 -0.12 0.08 0.00 0.01 0.00 0.00 72.50 72.36 2dks s THR 75 CO 0.15 0.05 1.15 -0.63 -0.69 0.00 0.00 174.62 174.65 2dks s ILE 76 N 0.72 2.35 0.16 1.82 1.09 -1.26 -0.39 121.20 125.69 2dks s ILE 76 Ca -0.06 0.11 0.04 0.00 -1.10 0.00 0.00 60.65 59.64 2dks s ILE 76 Cb -0.08 -3.03 -0.05 0.00 -1.06 0.00 0.00 42.46 38.24 2dks s ILE 76 CO -0.03 -0.15 -0.07 -0.31 -0.10 0.00 0.00 174.94 174.29 2dks s TYR 77 N -3.43 1.26 -2.00 3.97 1.51 0.21 -4.84 117.35 114.03 2dks s TYR 77 Ca 0.62 -0.83 0.12 0.00 -1.01 0.00 0.00 57.07 55.96 2dks s TYR 77 Cb -0.12 -0.67 0.72 0.00 -0.11 0.00 0.00 41.96 41.78 2dks s TYR 77 CO 0.51 0.00 1.15 -0.35 -1.11 0.00 0.00 175.55 175.75 2dks n PRO 78 N -0.22 0.49 -0.10 -1.71 -0.04 -1.26 -1.99 135.00 130.17 2dks n PRO 78 Ca -0.09 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.46 2dks n PRO 78 Cb 0.61 -1.39 0.13 0.00 -0.04 0.00 0.00 33.50 32.82 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 2.18 -1.04 3.54 3.02 -1.26 -4.95 115.26 115.86 2dks n ASN 79 Ca 0.09 -3.01 -0.11 0.00 -0.03 0.00 0.00 54.58 51.53 2dks n ASN 79 Cb 0.04 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.78 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 -1.33 -0.25 -2.76 5.41 0.00 -0.84 -4.40 120.51 116.33 2dks n ALA 80 Ca 0.15 0.12 -0.33 0.00 0.00 0.00 0.00 53.44 53.38 2dks n ALA 80 Cb 0.64 -1.33 -0.07 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.67 5.53 -0.13 0.00 0.01 -1.25 -4.71 113.70 110.47 2dks s SER 81 Ca 0.00 0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.38 2dks s SER 81 Cb 0.00 -1.55 -0.00 0.00 0.21 0.00 0.00 66.02 64.68 2dks s SER 81 CO 0.00 0.27 -0.18 -0.22 0.41 0.00 0.00 173.24 173.52 2dks s LEU 82 N -1.72 2.36 -0.36 2.44 2.96 -1.17 0.68 118.68 123.87 2dks s LEU 82 Ca 0.22 -0.49 -0.15 0.00 -0.22 0.00 0.00 54.13 53.49 2dks s LEU 82 Cb -0.12 -1.51 -0.00 0.00 0.50 0.00 0.00 46.19 45.06 2dks s LEU 82 CO 0.13 0.12 0.36 -0.22 -1.32 0.00 0.00 176.35 175.42 2dks s LEU 83 N 0.62 4.57 -0.44 -0.68 2.96 0.48 -1.59 118.68 124.60 2dks s LEU 83 Ca -0.10 -0.38 -0.17 0.00 -0.22 0.00 0.00 54.13 53.26 2dks s LEU 83 Cb -0.16 -2.32 0.03 0.00 0.50 0.00 0.00 46.19 44.25 2dks s LEU 83 CO 0.03 -0.38 0.44 -0.32 -1.32 0.00 0.00 176.35 174.79 2dks s MET 84 N 1.99 3.06 0.18 1.98 -2.45 0.52 -2.21 119.30 122.37 2dks s MET 84 Ca 0.11 -0.90 -0.05 0.00 -1.25 0.00 0.00 55.69 53.60 2dks s MET 84 Cb -0.17 -4.01 -0.05 0.00 1.25 0.00 0.00 34.83 31.84 2dks s MET 84 CO 0.12 -0.92 0.42 1.03 1.05 0.00 0.00 175.02 176.72 2dks s ARG 85 N 2.07 3.62 -1.34 4.11 0.52 -1.00 -0.37 118.95 126.56 2dks s ARG 85 Ca 0.10 -0.08 -0.01 0.00 -0.52 0.00 0.00 55.73 55.23 2dks s ARG 85 Cb -0.19 -2.79 0.00 0.00 0.52 0.00 0.00 34.95 32.49 2dks s ARG 85 CO 0.12 0.40 0.64 0.09 0.02 0.00 0.00 175.30 176.57 2dks n ASN 86 N -0.22 -1.09 -4.75 0.23 3.02 -1.09 -4.87 115.26 106.49 2dks n ASN 86 Ca -0.02 -0.86 -0.36 0.00 -0.03 0.00 0.00 54.58 53.31 2dks n ASN 86 Cb 0.52 -3.82 0.04 0.00 -0.61 0.00 0.00 39.78 35.92 2dks n ASN 86 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2dks s VAL 87 N -3.72 2.57 0.17 2.41 -7.23 0.42 -4.62 120.40 110.38 2dks s VAL 87 Ca 0.03 0.34 0.02 0.00 -1.81 0.00 0.00 61.98 60.56 2dks s VAL 87 Cb -0.01 -3.09 -0.05 0.00 0.56 0.00 0.00 36.38 33.79 2dks s VAL 87 CO 0.83 -0.09 -0.01 0.42 -0.31 0.00 0.00 175.10 175.94 2dks s THR 88 N -1.65 0.74 0.61 5.32 -4.23 -1.26 -0.42 115.64 114.74 2dks s THR 88 Ca 0.77 -1.99 0.28 0.00 -1.18 0.00 0.00 61.69 59.58 2dks s THR 88 Cb -0.30 -2.08 0.36 0.00 1.34 0.00 0.00 72.50 71.82 2dks s THR 88 CO 0.35 -0.52 1.87 0.08 -0.54 0.00 0.00 174.62 175.87 2dks h ARG 89 N 2.71 0.00 -0.12 3.99 0.11 -1.95 0.16 114.38 119.28 2dks h ARG 89 Ca -0.37 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.67 2dks h ARG 89 Cb 1.20 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.28 2dks h ARG 89 CO 0.63 0.00 -0.10 -0.91 0.10 0.00 0.00 179.97 179.69 2dks h ASN 90 N 0.00 0.30 -1.05 0.08 4.21 -1.97 -3.08 115.58 114.07 2dks h ASN 90 Ca 0.17 -0.46 0.27 0.00 1.21 0.00 0.00 56.30 57.50 2dks h ASN 90 Cb 1.13 -0.08 -0.10 0.00 -1.12 0.00 0.00 38.32 38.14 2dks h ASN 90 CO -0.00 0.70 0.66 0.44 -1.29 0.00 0.00 177.43 177.94 2dks h ASP 91 N -0.09 0.48 -0.82 5.81 3.32 -1.36 -3.40 116.42 120.36 2dks h ASP 91 Ca 0.02 0.10 -0.70 0.00 0.02 0.00 0.00 57.03 56.47 2dks h ASP 91 Cb 0.61 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 2dks h ASP 91 CO 0.03 0.07 1.35 0.41 -1.72 0.00 0.00 179.24 179.38 2dks n THR 92 N -4.69 0.14 0.00 0.35 -1.04 -1.17 -4.45 114.28 103.42 2dks n THR 92 Ca 0.26 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 2dks n THR 92 Cb 0.89 -1.29 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 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 6.65 -1.40 3.28 3.41 0.00 -1.26 -5.04 105.19 110.84 2dks n GLY 93 Ca 0.44 0.74 -0.14 0.00 0.00 0.00 0.00 46.02 47.07 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 2.00 -0.33 -0.19 1.61 0.01 -1.26 -4.76 113.70 110.78 2dks s SER 94 Ca 0.00 0.48 -0.05 0.00 1.31 0.00 0.00 55.95 57.69 2dks s SER 94 Cb 0.00 0.57 0.07 0.00 0.21 0.00 0.00 66.02 66.87 2dks s SER 94 CO 0.00 -0.31 0.09 -0.31 0.41 0.00 0.00 173.24 173.13 2dks s TYR 95 N -0.56 0.26 -0.14 2.43 2.02 -1.22 -0.26 117.35 119.88 2dks s TYR 95 Ca -0.07 -0.43 -0.21 0.00 -0.37 0.00 0.00 57.07 55.99 2dks s TYR 95 Cb -0.04 -0.74 -0.03 0.00 -0.40 0.00 0.00 41.96 40.75 2dks s TYR 95 CO 0.03 -0.57 0.61 0.99 -1.57 0.00 0.00 175.55 175.04 2dks s THR 96 N 2.12 5.07 -0.27 -0.71 2.01 -0.74 -1.70 115.64 121.41 2dks s THR 96 Ca 0.03 1.20 -0.01 0.00 0.31 0.00 0.00 61.69 63.22 2dks s THR 96 Cb -0.16 -3.94 0.04 0.00 0.01 0.00 0.00 72.50 68.45 2dks s THR 96 CO -0.13 0.20 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.74 2dks s LEU 97 N 1.28 3.55 -0.13 4.42 1.98 -1.00 0.55 118.68 129.33 2dks s LEU 97 Ca 0.30 -1.16 -0.06 0.00 -2.89 0.00 0.00 54.13 50.32 2dks s LEU 97 Cb -0.16 -1.66 -0.04 0.00 0.66 0.00 0.00 46.19 44.99 2dks s LEU 97 CO 0.12 -0.20 0.11 -1.58 -1.89 0.00 0.00 176.35 172.91 2dks s GLN 98 N 1.25 3.46 -0.17 1.98 0.74 0.91 -2.51 119.66 125.31 2dks s GLN 98 Ca -0.04 -0.20 0.01 0.00 0.05 0.00 0.00 55.36 55.17 2dks s GLN 98 Cb -0.19 -3.14 0.01 0.00 1.10 0.00 0.00 33.01 30.79 2dks s GLN 98 CO -0.03 0.69 -0.19 0.08 -0.55 0.00 0.00 175.29 175.29 2dks s VAL 99 N -0.78 2.27 0.14 1.34 1.01 -1.21 -0.90 120.40 122.27 2dks s VAL 99 Ca 0.13 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 2dks s VAL 99 Cb -0.12 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.25 2dks s VAL 99 CO 0.03 0.53 0.53 -0.63 0.00 0.00 0.00 175.10 175.56 2dks s ILE 100 N 1.08 4.88 0.21 2.22 1.09 -0.09 0.52 121.20 131.11 2dks s ILE 100 Ca -0.00 0.78 0.09 0.00 -1.10 0.00 0.00 60.65 60.42 2dks s ILE 100 Cb -0.14 -3.72 -0.04 0.00 -1.06 0.00 0.00 42.46 37.49 2dks s ILE 100 CO -0.07 0.24 -0.06 -0.54 -0.10 0.00 0.00 174.94 174.42 2dks s LYS 101 N -1.97 2.17 0.24 2.79 3.01 -0.49 0.24 119.74 125.73 2dks s LYS 101 Ca 0.37 -1.30 0.13 0.00 -1.01 0.00 0.00 55.97 54.16 2dks s LYS 101 Cb -0.15 -2.18 0.69 0.00 -1.01 0.00 0.00 37.83 35.19 2dks s LYS 101 CO 0.19 0.41 1.32 1.28 0.51 0.00 0.00 175.35 179.07 2dks n LEU 102 N -0.28 0.33 -1.55 3.17 7.99 -1.06 -1.09 117.00 124.52 2dks n LEU 102 Ca -0.09 0.59 -0.10 0.00 -0.01 0.00 0.00 56.01 56.39 2dks n LEU 102 Cb 0.57 -0.59 0.09 0.00 -0.11 0.00 0.00 43.42 43.37 2dks n LEU 102 CO 0.37 -0.70 0.85 -0.46 -1.51 0.00 0.00 177.39 175.94 2dks n ASN 103 N -1.96 3.34 -2.36 -1.43 6.94 -1.26 -4.82 115.26 113.71 2dks n ASN 103 Ca -0.01 -2.72 -0.12 0.00 -0.02 0.00 0.00 54.58 51.71 2dks n ASN 103 Cb 0.16 -0.65 -0.01 0.00 -2.36 0.00 0.00 39.78 36.92 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 -0.23 -1.10 -4.91 -4.53 4.77 -0.25 -4.93 117.00 105.82 2dks n LEU 104 Ca 0.27 0.21 -0.25 0.00 -0.03 0.00 0.00 56.01 56.21 2dks n LEU 104 Cb 1.03 -2.10 -0.00 0.00 -2.33 0.00 0.00 43.42 40.02 2dks n LEU 104 CO 0.27 -0.16 0.07 -0.04 -1.33 0.00 0.00 177.39 176.20 2dks s MET 105 N -4.87 2.30 -0.11 3.23 -1.94 -1.18 -4.94 119.30 111.78 2dks s MET 105 Ca 0.00 -1.89 -0.15 0.00 -1.71 0.00 0.00 55.69 51.93 2dks s MET 105 Cb 0.00 -2.21 0.04 0.00 2.01 0.00 0.00 34.83 34.67 2dks s MET 105 CO 0.00 -0.57 0.40 -1.12 -0.01 0.00 0.00 175.02 173.72 2dks s SER 106 N -4.29 -0.38 0.39 3.03 0.01 -1.26 -1.39 113.70 109.80 2dks s SER 106 Ca 0.40 0.64 0.04 0.00 1.31 0.00 0.00 55.95 58.33 2dks s SER 106 Cb -0.03 0.69 0.04 0.00 0.21 0.00 0.00 66.02 66.93 2dks s SER 106 CO 0.24 -0.24 0.32 -0.62 0.41 0.00 0.00 173.24 173.36 2dks n GLU 107 N 2.39 0.90 -3.71 12.44 1.02 0.19 -4.91 120.64 128.96 2dks n GLU 107 Ca -0.15 -2.39 -0.14 0.00 -0.02 0.00 0.00 57.16 54.46 2dks n GLU 107 Cb 0.57 0.21 -0.09 0.00 -0.02 0.00 0.00 31.44 32.11 2dks n GLU 107 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2dks s GLU 108 N -3.61 0.63 -0.30 3.49 8.01 -1.26 -3.31 118.70 122.35 2dks s GLU 108 Ca 0.24 0.40 -0.04 0.00 0.01 0.00 0.00 54.97 55.59 2dks s GLU 108 Cb -0.02 0.30 0.18 0.00 -4.31 0.00 0.00 34.13 30.28 2dks s GLU 108 CO 0.15 -0.12 0.66 0.54 0.01 0.00 0.00 175.26 176.50 2dks s VAL 109 N -0.29 -0.92 -0.56 2.63 0.11 -1.04 -4.74 120.40 115.58 2dks s VAL 109 Ca -0.04 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.73 2dks s VAL 109 Cb -0.03 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.83 2dks s VAL 109 CO 0.03 0.00 1.46 -0.89 -3.33 0.00 0.00 175.10 172.36 2dks s THR 110 N 2.86 3.74 -0.24 5.04 2.01 -1.26 -2.39 115.64 125.41 2dks s THR 110 Ca 0.15 0.63 -0.01 0.00 0.31 0.00 0.00 61.69 62.77 2dks s THR 110 Cb -0.14 -4.38 0.07 0.00 0.01 0.00 0.00 72.50 68.06 2dks s THR 110 CO -0.20 -1.13 0.01 -0.83 -0.69 0.00 0.00 174.62 171.78 2dks s GLY 111 N 4.72 1.05 0.34 4.40 0.00 -0.69 -4.68 107.32 112.45 2dks s GLY 111 Ca 0.54 -1.20 0.04 0.00 0.00 0.00 0.00 44.72 44.10 2dks s GLY 111 CO 0.25 1.25 0.14 0.61 0.00 0.00 0.00 173.10 175.35 2dks n GLN 112 N 4.84 0.59 -4.15 2.90 0.00 -1.26 -4.05 117.38 116.24 2dks n GLN 112 Ca -0.08 -2.93 -0.19 0.00 0.00 0.00 0.00 57.00 53.80 2dks n GLN 112 Cb 0.45 1.71 -0.07 0.00 0.00 0.00 0.00 30.24 32.32 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 -0.75 -0.75 -4.14 2.61 -1.74 -1.26 -4.49 117.46 106.95 2dks n PHE 113 Ca -0.03 -2.70 -0.19 0.00 -0.56 0.00 0.00 57.45 53.97 2dks n PHE 113 Cb 0.52 0.27 -0.16 0.00 1.52 0.00 0.00 39.48 41.63 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 -3.25 0.83 -0.08 5.98 0.01 -1.24 -4.07 113.70 111.88 2dks s SER 114 Ca 0.38 -0.11 -0.04 0.00 1.31 0.00 0.00 55.95 57.49 2dks s SER 114 Cb 0.02 -0.40 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 2dks s SER 114 CO 0.27 -0.05 0.08 -0.69 0.41 0.00 0.00 173.24 173.26 2dks s VAL 115 N 0.87 4.93 -0.08 3.43 1.01 -1.26 -2.95 120.40 126.34 2dks s VAL 115 Ca -0.11 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.79 2dks s VAL 115 Cb -0.14 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.11 2dks s VAL 115 CO 0.00 0.55 -0.09 -1.38 0.00 0.00 0.00 175.10 174.18 2dks s HIS 116 N -1.02 1.38 0.30 5.22 -3.43 -0.45 -4.86 115.29 112.42 2dks s HIS 116 Ca 0.16 -0.58 -0.29 0.00 -0.80 0.00 0.00 55.06 53.55 2dks s HIS 116 Cb -0.12 -1.09 -0.10 0.00 -1.43 0.00 0.00 32.58 29.84 2dks s HIS 116 CO 0.06 -0.37 1.24 -1.25 -2.00 0.00 0.00 174.74 172.42 2dks s PRO 117 N 1.18 4.45 -1.11 -0.38 0.04 -1.26 -3.99 135.00 133.93 2dks s PRO 117 Ca -0.05 2.06 -0.25 0.00 0.04 0.00 0.00 61.00 62.80 2dks s PRO 117 Cb -0.14 -3.13 -0.16 0.00 0.04 0.00 0.00 34.50 31.11 2dks s PRO 117 CO -0.02 -0.07 2.05 -1.21 0.04 0.00 0.00 177.00 177.79 2dks s GLU 118 N -1.45 1.78 -0.04 4.56 2.02 -1.26 -4.83 118.70 119.47 2dks s GLU 118 Ca 0.48 -0.71 -0.07 0.00 0.02 0.00 0.00 54.97 54.69 2dks s GLU 118 Cb -0.37 -5.09 0.01 0.00 0.10 0.00 0.00 34.13 28.79 2dks s GLU 118 CO 0.47 -4.79 0.18 0.95 0.02 0.00 0.00 175.26 172.09 2dks s THR 119 N 14.28 0.03 0.49 3.63 -4.23 -1.26 -5.15 115.64 123.42 2dks s THR 119 Ca 0.76 -0.27 -0.22 0.00 -1.18 0.00 0.00 61.69 60.78 2dks s THR 119 Cb -0.04 -0.35 -0.07 0.00 1.34 0.00 0.00 72.50 73.39 2dks s THR 119 CO 0.15 -0.15 1.15 -2.16 -0.54 0.00 0.00 174.62 173.07 2dks s PRO 120 N -0.51 3.61 -0.04 3.99 0.04 -1.26 -5.06 135.00 135.77 2dks s PRO 120 Ca -0.06 1.71 -0.05 0.00 0.04 0.00 0.00 61.00 62.64 2dks s PRO 120 Cb -0.04 -2.26 0.01 0.00 0.04 0.00 0.00 34.50 32.25 2dks s PRO 120 CO 0.01 -0.66 0.13 0.15 0.04 0.00 0.00 177.00 176.67 2dks s LYS 121 N -2.91 0.18 0.00 4.56 -0.14 -1.26 -5.17 119.74 115.00 2dks s LYS 121 Ca 0.67 0.12 0.00 0.00 -1.36 0.00 0.00 55.97 55.40 2dks s LYS 121 Cb -0.27 0.09 0.00 0.00 -1.68 0.00 0.00 37.83 35.97 2dks s LYS 121 CO 0.32 -0.03 0.00 -0.35 -0.76 0.00 0.00 175.35 174.53 2dks n PRO 122 N 2.85 -0.92 -3.87 -1.68 -0.04 -1.26 -5.08 135.00 125.00 2dks n PRO 122 Ca -0.13 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.15 2dks n PRO 122 Cb 0.59 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.88 2dks n PRO 122 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dks s SER 123 N -1.51 0.59 0.13 3.54 0.15 -1.26 -5.15 113.70 110.19 2dks s SER 123 Ca 0.00 -0.01 0.10 0.00 0.70 0.00 0.00 55.95 56.74 2dks s SER 123 Cb 0.00 -0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.05 2dks s SER 123 CO 0.00 -0.13 -0.23 -0.63 1.20 0.00 0.00 173.24 173.45 2dks s ILE 124 N 1.25 2.53 -0.22 6.45 1.01 -1.26 -5.12 121.20 125.85 2dks s ILE 124 Ca -0.07 -1.68 -0.15 0.00 0.00 0.00 0.00 60.65 58.76 2dks s ILE 124 Cb -0.13 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 2dks s ILE 124 CO -0.02 0.07 0.34 -0.94 0.00 0.00 0.00 174.94 174.39 2dks s SER 125 N -2.17 6.34 0.00 3.58 1.04 -1.26 -5.04 113.70 116.19 2dks s SER 125 Ca 0.16 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.99 2dks s SER 125 Cb -0.10 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 63.82 2dks s SER 125 CO 0.08 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.85 2dks n GLY 126 N 4.12 1.24 3.56 7.32 0.00 -1.26 -5.09 105.19 115.08 2dks n GLY 126 Ca -0.10 0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.19 2.56 -0.56 1.61 0.04 -1.26 -4.91 135.00 131.29 2dks s PRO 127 Ca 0.00 -0.26 -0.26 0.00 0.04 0.00 0.00 61.00 60.51 2dks s PRO 127 Cb 0.00 -5.04 -0.04 0.00 0.04 0.00 0.00 34.50 29.46 2dks s PRO 127 CO 0.00 -3.36 2.08 -1.12 0.04 0.00 0.00 177.00 174.64 2dks s SER 128 N 8.04 4.94 0.14 6.66 0.01 -1.26 -4.85 113.70 127.38 2dks s SER 128 Ca 0.70 0.65 -0.22 0.00 1.31 0.00 0.00 55.95 58.39 2dks s SER 128 Cb -0.07 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2dks s SER 128 CO -0.00 -2.57 1.65 -1.28 0.41 0.00 0.00 173.24 171.45 2dks h SER 129 N 16.79 -0.59 0.00 2.44 0.87 -2.08 -3.57 113.55 127.41 2dks h SER 129 Ca -0.25 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2dks h SER 129 Cb 1.20 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.44 2dks h SER 129 CO 1.19 -0.23 0.00 0.61 -0.53 0.00 0.00 176.83 177.87