#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gal s VAL 3 N 0.00 0.00 -0.83 3.44 0.11 -1.26 -4.97 120.40 116.89 3gal s VAL 3 Ca 0.00 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 58.85 3gal s VAL 3 Cb 0.00 -1.00 -0.20 0.00 -1.53 0.00 0.00 36.38 33.65 3gal s VAL 3 CO 0.00 0.00 2.19 -0.81 -3.33 0.00 0.00 175.10 173.15 3gal n PRO 4 N 0.41 0.30 -2.80 1.54 -0.04 -1.26 -4.83 135.00 128.31 3gal n PRO 4 Ca 0.02 -0.70 -0.41 0.00 -0.04 0.00 0.00 63.50 62.36 3gal n PRO 4 Cb 0.58 -2.83 -0.03 0.00 -0.04 0.00 0.00 33.50 31.18 3gal n PRO 4 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3gal s HIS 5 N 10.29 3.60 0.02 0.54 2.46 -0.89 -4.92 115.29 126.39 3gal s HIS 5 Ca 0.94 1.54 0.07 0.00 0.47 0.00 0.00 55.06 58.07 3gal s HIS 5 Cb -0.29 -3.04 -0.02 0.00 -0.13 0.00 0.00 32.58 29.09 3gal s HIS 5 CO 0.22 -0.03 -0.20 0.15 -2.47 0.00 0.00 174.74 172.40 3gal s LYS 6 N 1.19 1.49 -0.24 2.88 -0.14 -1.26 -0.84 119.74 122.81 3gal s LYS 6 Ca 0.47 -0.83 -0.01 0.00 -1.36 0.00 0.00 55.97 54.24 3gal s LYS 6 Cb -0.19 -1.52 0.07 0.00 -1.68 0.00 0.00 37.83 34.51 3gal s LYS 6 CO 0.23 0.40 0.03 -1.12 -0.76 0.00 0.00 175.35 174.13 3gal s SER 7 N -0.84 3.52 0.32 2.83 0.01 -0.43 -5.00 113.70 114.11 3gal s SER 7 Ca 0.07 -1.18 -0.26 0.00 1.31 0.00 0.00 55.95 55.89 3gal s SER 7 Cb -0.08 -0.84 -0.10 0.00 0.21 0.00 0.00 66.02 65.21 3gal s SER 7 CO 0.01 -0.32 0.95 -0.44 0.41 0.00 0.00 173.24 173.84 3gal s SER 8 N 1.65 7.33 -0.54 2.44 0.01 -1.26 -1.76 113.70 121.58 3gal s SER 8 Ca 0.01 1.84 0.07 0.00 1.31 0.00 0.00 55.95 59.18 3gal s SER 8 Cb -0.18 -2.58 0.26 0.00 0.21 0.00 0.00 66.02 63.74 3gal s SER 8 CO -0.13 -0.07 0.69 0.18 0.41 0.00 0.00 173.24 174.32 3gal n LEU 9 N 0.55 2.46 0.31 2.44 4.77 0.15 -4.96 117.00 122.73 3gal n LEU 9 Ca 0.02 -5.19 0.18 0.00 -0.03 0.00 0.00 56.01 51.00 3gal n LEU 9 Cb 0.50 -0.15 0.96 0.00 -2.33 0.00 0.00 43.42 42.40 3gal n LEU 9 CO 0.44 2.10 1.15 1.55 -1.33 0.00 0.00 177.39 181.30 3gal h PRO 10 N 3.97 0.00 -0.46 3.23 0.13 -1.93 -0.50 132.00 136.44 3gal h PRO 10 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3gal h PRO 10 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3gal h PRO 10 CO 0.69 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.85 3gal n GLU 11 N -3.12 2.61 -0.22 0.86 -0.58 -1.26 -5.04 120.64 113.89 3gal n GLU 11 Ca -0.02 -2.23 0.03 0.00 -0.42 0.00 0.00 57.16 54.53 3gal n GLU 11 Cb 0.27 -1.40 -0.01 0.00 -0.57 0.00 0.00 31.44 29.74 3gal n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gal n GLY 12 N 1.03 -2.17 3.16 0.62 0.00 -0.19 -5.01 105.19 102.61 3gal n GLY 12 Ca 0.17 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 3gal n GLY 12 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gal s ILE 13 N -1.07 0.79 0.33 -0.61 -4.36 -1.26 -5.00 121.20 110.02 3gal s ILE 13 Ca 0.00 -1.71 0.09 0.00 -0.26 0.00 0.00 60.65 58.77 3gal s ILE 13 Cb 0.00 -1.41 -0.06 0.00 1.25 0.00 0.00 42.46 42.23 3gal s ILE 13 CO 0.00 -0.68 -0.08 -0.13 0.24 0.00 0.00 174.94 174.29 3gal s ARG 14 N -3.11 1.75 0.38 0.37 3.00 -1.26 -4.62 118.95 115.45 3gal s ARG 14 Ca 0.07 -1.90 -0.26 0.00 0.00 0.00 0.00 55.73 53.64 3gal s ARG 14 Cb -0.00 -1.55 -0.12 0.00 0.00 0.00 0.00 34.95 33.28 3gal s ARG 14 CO -0.02 0.11 1.04 -2.30 0.00 0.00 0.00 175.30 174.13 3gal n PRO 15 N -0.74 1.45 0.00 3.54 -0.02 -1.26 -2.24 135.00 135.73 3gal n PRO 15 Ca -0.05 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3gal n PRO 15 Cb 0.64 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 3gal n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gal n GLY 16 N 1.14 0.57 3.77 -1.23 0.00 0.70 -4.97 105.19 105.17 3gal n GLY 16 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3gal n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gal s THR 17 N -2.00 4.95 -0.13 2.61 2.01 -0.95 -4.95 115.64 117.19 3gal s THR 17 Ca 0.00 1.16 0.02 0.00 0.31 0.00 0.00 61.69 63.18 3gal s THR 17 Cb 0.00 -3.89 0.01 0.00 0.01 0.00 0.00 72.50 68.63 3gal s THR 17 CO 0.00 0.42 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.49 3gal s VAL 18 N -0.19 1.74 -0.25 3.82 1.01 -0.08 -1.18 120.40 125.27 3gal s VAL 18 Ca 0.30 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 3gal s VAL 18 Cb -0.18 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 3gal s VAL 18 CO 0.16 0.49 0.31 -0.22 0.00 0.00 0.00 175.10 175.84 3gal s LEU 19 N 1.04 4.07 -0.23 3.92 0.20 0.62 -0.67 118.68 127.63 3gal s LEU 19 Ca -0.04 0.26 -0.02 0.00 0.69 0.00 0.00 54.13 55.02 3gal s LEU 19 Cb -0.15 -2.34 0.02 0.00 -0.43 0.00 0.00 46.19 43.29 3gal s LEU 19 CO -0.04 -0.10 -0.08 -0.60 -0.29 0.00 0.00 176.35 175.24 3gal s ARG 20 N 1.71 2.95 -0.17 1.98 3.52 0.63 -0.78 118.95 128.80 3gal s ARG 20 Ca 0.13 -0.89 -0.01 0.00 -0.13 0.00 0.00 55.73 54.82 3gal s ARG 20 Cb -0.15 -2.93 -0.01 0.00 -1.56 0.00 0.00 34.95 30.30 3gal s ARG 20 CO 0.09 -0.34 -0.10 0.42 -0.81 0.00 0.00 175.30 174.56 3gal s ILE 21 N 1.35 3.09 -0.05 4.11 1.01 0.04 -1.30 121.20 129.45 3gal s ILE 21 Ca 0.02 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 60.10 3gal s ILE 21 Cb -0.16 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 3gal s ILE 21 CO -0.05 0.49 -0.22 -0.13 0.00 0.00 0.00 174.94 175.03 3gal s ARG 22 N 0.86 2.46 0.00 2.79 0.52 -0.13 -0.92 118.95 124.54 3gal s ARG 22 Ca -0.03 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.34 3gal s ARG 22 Cb -0.15 -2.22 0.00 0.00 0.52 0.00 0.00 34.95 33.10 3gal s ARG 22 CO 0.00 0.49 0.00 0.41 0.02 0.00 0.00 175.30 176.22 3gal n GLY 23 N 2.66 1.02 2.88 -3.53 0.00 -0.95 -0.91 105.19 106.36 3gal n GLY 23 Ca -0.17 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 3gal n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gal s LEU 24 N 0.00 1.99 -0.24 0.99 0.20 0.74 -0.32 118.68 122.04 3gal s LEU 24 Ca 0.00 -0.02 -0.21 0.00 0.69 0.00 0.00 54.13 54.60 3gal s LEU 24 Cb 0.00 0.02 -0.02 0.00 -0.43 0.00 0.00 46.19 45.76 3gal s LEU 24 CO 0.00 -0.02 0.64 -0.69 -0.29 0.00 0.00 176.35 175.99 3gal s VAL 25 N -0.07 4.98 0.71 1.68 1.01 -0.56 -0.54 120.40 127.62 3gal s VAL 25 Ca -0.01 1.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.99 3gal s VAL 25 Cb -0.01 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.46 3gal s VAL 25 CO -0.00 0.04 1.17 -2.84 0.00 0.00 0.00 175.10 173.47 3gal s PRO 26 N 2.41 2.33 0.41 2.72 0.02 -1.26 0.39 135.00 142.03 3gal s PRO 26 Ca 0.27 1.62 0.22 0.00 0.02 0.00 0.00 61.00 63.13 3gal s PRO 26 Cb -0.16 -1.87 1.20 0.00 0.02 0.00 0.00 34.50 33.69 3gal s PRO 26 CO 0.09 -1.66 1.74 -1.35 -0.33 0.00 0.00 177.00 175.49 3gal h PRO 27 N -0.24 0.29 -0.23 5.54 0.11 -1.93 -2.06 132.00 133.48 3gal h PRO 27 Ca -0.47 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 3gal h PRO 27 Cb 1.28 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 3gal h PRO 27 CO 0.51 0.19 -0.06 0.09 -0.21 0.00 0.00 178.00 178.52 3gal n ASN 28 N -4.63 2.94 -4.78 -2.05 5.03 -1.26 -4.71 115.26 105.80 3gal n ASN 28 Ca 0.28 -3.37 -0.41 0.00 0.87 0.00 0.00 54.58 51.96 3gal n ASN 28 Cb 1.02 -0.56 0.00 0.00 -1.02 0.00 0.00 39.78 39.23 3gal n ASN 28 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gal s ALA 29 N -3.02 3.52 -0.20 5.41 0.00 -0.77 -4.94 121.76 121.76 3gal s ALA 29 Ca 0.41 1.57 -0.08 0.00 0.00 0.00 0.00 51.96 53.87 3gal s ALA 29 Cb 0.36 -3.61 -0.10 0.00 0.00 0.00 0.00 23.12 19.77 3gal s ALA 29 CO 0.03 -1.10 -0.24 -1.13 0.00 0.00 0.00 175.76 173.32 3gal n SER 30 N 0.34 1.67 -3.51 0.00 3.41 -1.26 -4.63 113.62 109.64 3gal n SER 30 Ca 0.02 0.17 -0.11 0.00 -0.26 0.00 0.00 58.87 58.69 3gal n SER 30 Cb 0.39 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 3gal n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gal s ARG 31 N -2.37 0.88 0.18 4.33 1.70 -1.26 -0.01 118.95 122.39 3gal s ARG 31 Ca -0.28 -0.13 -0.04 0.00 -0.47 0.00 0.00 55.73 54.81 3gal s ARG 31 Cb 0.10 0.41 -0.03 0.00 -0.57 0.00 0.00 34.95 34.86 3gal s ARG 31 CO 0.37 -0.34 0.19 -0.59 -1.08 0.00 0.00 175.30 173.85 3gal s PHE 32 N -2.43 0.84 0.11 5.89 -0.71 -1.03 -0.52 117.98 120.13 3gal s PHE 32 Ca 0.00 -1.14 -0.11 0.00 -1.04 0.00 0.00 56.93 54.63 3gal s PHE 32 Cb -0.01 -0.35 0.01 0.00 -1.21 0.00 0.00 43.02 41.47 3gal s PHE 32 CO -0.04 -0.67 0.28 -3.38 -1.34 0.00 0.00 175.22 170.07 3gal s HIS 33 N -4.08 0.05 -0.10 3.49 -3.43 -0.10 -2.91 115.29 108.21 3gal s HIS 33 Ca 0.29 -0.43 0.01 0.00 -0.80 0.00 0.00 55.06 54.13 3gal s HIS 33 Cb 0.05 0.06 0.02 0.00 -1.43 0.00 0.00 32.58 31.28 3gal s HIS 33 CO 0.07 -0.63 -0.12 0.08 -2.00 0.00 0.00 174.74 172.14 3gal s VAL 34 N -3.85 1.25 -0.02 -5.38 1.01 -0.19 -1.58 120.40 111.65 3gal s VAL 34 Ca 0.06 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.62 3gal s VAL 34 Cb 0.03 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 3gal s VAL 34 CO -0.10 0.39 -0.24 0.20 0.00 0.00 0.00 175.10 175.35 3gal s ASN 35 N 1.12 3.22 -0.36 3.32 0.01 0.79 -0.99 114.94 122.05 3gal s ASN 35 Ca -0.05 -0.43 -0.05 0.00 -0.71 0.00 0.00 52.86 51.61 3gal s ASN 35 Cb -0.14 -0.42 0.07 0.00 0.41 0.00 0.00 41.25 41.16 3gal s ASN 35 CO -0.02 0.32 0.13 -0.76 -1.51 0.00 0.00 177.10 175.26 3gal s LEU 36 N -0.68 4.60 0.15 0.60 1.43 0.09 -1.03 118.68 123.85 3gal s LEU 36 Ca 0.10 -1.46 0.03 0.00 -1.03 0.00 0.00 54.13 51.78 3gal s LEU 36 Cb -0.10 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3gal s LEU 36 CO -0.00 -0.40 0.24 -0.76 0.23 0.00 0.00 176.35 175.65 3gal s LEU 37 N 1.31 4.17 -0.15 1.79 1.43 0.10 -0.80 118.68 126.53 3gal s LEU 37 Ca 0.01 0.08 0.11 0.00 -1.03 0.00 0.00 54.13 53.29 3gal s LEU 37 Cb -0.21 -2.75 0.58 0.00 0.03 0.00 0.00 46.19 43.84 3gal s LEU 37 CO -0.00 0.06 1.40 0.00 0.23 0.00 0.00 176.35 178.04 3gal n GLY 39 N 0.56 0.85 0.05 0.00 0.00 -1.26 -4.64 105.19 100.75 3gal n GLY 39 Ca 0.20 -0.93 0.11 0.00 0.00 0.00 0.00 46.02 45.40 3gal n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gal n GLU 40 N -0.35 0.39 -1.63 1.61 1.02 -1.26 -4.79 120.64 115.63 3gal n GLU 40 Ca 0.00 0.01 -0.34 0.00 -0.02 0.00 0.00 57.16 56.81 3gal n GLU 40 Cb 0.00 -1.64 0.07 0.00 -0.02 0.00 0.00 31.44 29.85 3gal n GLU 40 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3gal s GLU 41 N -3.26 2.47 0.22 3.49 8.01 -1.26 -4.96 118.70 123.42 3gal s GLU 41 Ca 0.02 1.66 -0.30 0.00 0.01 0.00 0.00 54.97 56.36 3gal s GLU 41 Cb 0.13 -1.88 -0.09 0.00 -4.31 0.00 0.00 34.13 27.97 3gal s GLU 41 CO 0.80 -1.56 1.38 -0.65 0.01 0.00 0.00 175.26 175.24 3gal s GLN 42 N -3.86 4.33 0.00 1.61 -1.52 -1.26 -2.71 119.66 116.25 3gal s GLN 42 Ca 0.73 2.18 0.00 0.00 -1.95 0.00 0.00 55.36 56.32 3gal s GLN 42 Cb -0.27 -3.15 0.00 0.00 -0.22 0.00 0.00 33.01 29.37 3gal s GLN 42 CO 0.42 -0.34 0.00 0.41 -0.25 0.00 0.00 175.29 175.53 3gal n GLY 43 N 2.33 0.64 3.70 3.09 0.00 -1.26 -5.02 105.19 108.66 3gal n GLY 43 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3gal n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gal n SER 44 N 0.00 1.74 -4.73 1.61 7.64 -1.10 -4.52 113.62 114.26 3gal n SER 44 Ca 0.00 0.83 -0.36 0.00 1.01 0.00 0.00 58.87 60.35 3gal n SER 44 Cb 0.00 -1.51 0.07 0.00 -1.01 0.00 0.00 64.21 61.76 3gal n SER 44 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3gal s ASP 45 N -1.31 4.58 -0.25 6.43 1.01 -1.26 -4.78 116.67 121.09 3gal s ASP 45 Ca 0.80 2.54 -0.02 0.00 0.71 0.00 0.00 52.55 56.59 3gal s ASP 45 Cb -0.39 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 40.95 3gal s ASP 45 CO 0.43 -2.01 -0.06 0.00 0.21 0.00 0.00 175.17 173.74 3gal s ALA 46 N -1.53 2.70 0.26 5.23 0.00 0.27 -1.12 121.76 127.56 3gal s ALA 46 Ca 0.80 -1.48 0.03 0.00 0.00 0.00 0.00 51.96 51.31 3gal s ALA 46 Cb -0.35 -1.70 0.35 0.00 0.00 0.00 0.00 23.12 21.42 3gal s ALA 46 CO 0.40 -0.84 1.65 0.00 0.00 0.00 0.00 175.76 176.97 3gal h ALA 47 N 8.01 0.99 -2.81 0.00 0.00 -1.24 -0.82 119.26 123.39 3gal h ALA 47 Ca -0.32 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.02 3gal h ALA 47 Cb 1.10 -0.10 -0.27 0.00 0.00 0.00 0.00 17.79 18.53 3gal h ALA 47 CO 0.57 0.62 -0.35 -1.17 0.00 0.00 0.00 179.25 178.91 3gal s LEU 48 N -8.37 0.25 -0.21 0.00 2.96 -1.14 -4.66 118.68 107.51 3gal s LEU 48 Ca -0.06 0.74 0.01 0.00 -0.22 0.00 0.00 54.13 54.61 3gal s LEU 48 Cb 0.13 1.14 0.05 0.00 0.50 0.00 0.00 46.19 48.01 3gal s LEU 48 CO 0.79 -0.17 -0.10 -2.28 -1.32 0.00 0.00 176.35 173.27 3gal s HIS 49 N 1.03 2.60 -0.29 5.38 5.65 0.44 -0.73 115.29 129.36 3gal s HIS 49 Ca -0.07 -1.75 -0.06 0.00 0.25 0.00 0.00 55.06 53.43 3gal s HIS 49 Cb -0.07 -1.70 0.02 0.00 -1.18 0.00 0.00 32.58 29.64 3gal s HIS 49 CO -0.08 -0.78 0.06 0.12 -0.65 0.00 0.00 174.74 173.41 3gal s PHE 50 N 1.33 3.15 -0.59 3.88 5.36 -0.17 -1.70 117.98 129.24 3gal s PHE 50 Ca -0.03 -1.15 0.04 0.00 -0.96 0.00 0.00 56.93 54.84 3gal s PHE 50 Cb -0.17 -2.22 0.16 0.00 -0.34 0.00 0.00 43.02 40.45 3gal s PHE 50 CO -0.08 -0.63 0.42 1.21 -1.46 0.00 0.00 175.22 174.68 3gal s ASN 51 N 1.45 3.82 0.13 6.13 3.04 0.75 -1.02 114.94 129.24 3gal s ASN 51 Ca 0.01 -3.48 -0.31 0.00 0.04 0.00 0.00 52.86 49.12 3gal s ASN 51 Cb -0.17 -1.27 -0.09 0.00 -1.54 0.00 0.00 41.25 38.17 3gal s ASN 51 CO 0.01 -0.13 1.59 -2.84 -3.04 0.00 0.00 177.10 172.69 3gal s PRO 52 N -0.82 4.21 -0.35 0.43 0.02 -1.15 -2.22 135.00 135.13 3gal s PRO 52 Ca 0.26 2.33 0.01 0.00 0.02 0.00 0.00 61.00 63.62 3gal s PRO 52 Cb -0.06 -3.32 0.09 0.00 0.02 0.00 0.00 34.50 31.23 3gal s PRO 52 CO -0.15 -0.64 0.08 1.03 -0.33 0.00 0.00 177.00 176.99 3gal s ARG 53 N 1.69 1.82 0.31 5.54 0.52 0.11 -2.46 118.95 126.49 3gal s ARG 53 Ca 0.71 -1.74 0.13 0.00 -0.52 0.00 0.00 55.73 54.31 3gal s ARG 53 Cb -0.42 -3.29 0.48 0.00 0.52 0.00 0.00 34.95 32.24 3gal s ARG 53 CO 0.31 -0.91 1.66 -0.07 0.02 0.00 0.00 175.30 176.32 3gal h LEU 54 N 7.81 0.00 -0.70 2.53 -0.00 -0.69 -0.31 115.31 123.95 3gal h LEU 54 Ca -0.10 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.64 3gal h LEU 54 Cb 1.04 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.68 3gal h LEU 54 CO 0.57 0.53 -0.58 -2.24 -0.00 0.00 0.00 178.44 176.71 3gal h ASP 55 N 0.00 0.22 -0.26 -0.43 2.03 -1.49 -3.20 116.42 113.30 3gal h ASP 55 Ca -0.01 -0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.17 3gal h ASP 55 Cb 1.01 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.45 3gal h ASP 55 CO 0.07 0.76 0.00 0.35 -1.03 0.00 0.00 179.24 179.39 3gal n THR 56 N -3.88 1.18 -3.88 1.15 -2.24 -1.20 -5.02 114.28 100.39 3gal n THR 56 Ca -0.02 -1.14 -0.31 0.00 -2.27 0.00 0.00 64.05 60.31 3gal n THR 56 Cb 0.60 0.39 0.01 0.00 -2.10 0.00 0.00 70.33 69.23 3gal n THR 56 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gal n SER 57 N 0.15 -2.69 -3.84 3.42 7.64 -0.17 -4.99 113.62 113.14 3gal n SER 57 Ca 0.11 -1.06 -0.09 0.00 1.01 0.00 0.00 58.87 58.83 3gal n SER 57 Cb 0.45 -2.95 -0.06 0.00 -1.01 0.00 0.00 64.21 60.65 3gal n SER 57 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 3gal s GLU 58 N -6.47 1.10 -0.14 1.43 -1.05 -0.90 -4.63 118.70 108.03 3gal s GLU 58 Ca 0.25 -0.98 -0.01 0.00 -0.15 0.00 0.00 54.97 54.08 3gal s GLU 58 Cb -0.10 0.41 0.04 0.00 -0.44 0.00 0.00 34.13 34.04 3gal s GLU 58 CO 0.89 -0.41 -0.05 0.08 0.95 0.00 0.00 175.26 176.72 3gal s VAL 59 N -3.90 1.01 -0.03 1.83 1.01 -1.26 0.05 120.40 119.11 3gal s VAL 59 Ca 0.10 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 3gal s VAL 59 Cb 0.03 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3gal s VAL 59 CO -0.05 0.20 0.03 -0.69 0.00 0.00 0.00 175.10 174.59 3gal s VAL 60 N 1.69 4.44 -0.06 2.92 1.01 -0.94 -2.68 120.40 126.78 3gal s VAL 60 Ca 0.02 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.65 3gal s VAL 60 Cb -0.14 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 3gal s VAL 60 CO -0.08 0.44 -0.21 -0.36 0.00 0.00 0.00 175.10 174.90 3gal s PHE 61 N -1.06 2.07 0.28 5.22 0.40 0.10 -0.18 117.98 124.81 3gal s PHE 61 Ca 0.19 -0.64 -0.20 0.00 -0.60 0.00 0.00 56.93 55.68 3gal s PHE 61 Cb -0.12 -1.38 0.04 0.00 0.51 0.00 0.00 43.02 42.08 3gal s PHE 61 CO 0.09 -0.22 0.82 1.21 0.70 0.00 0.00 175.22 177.82 3gal s ASN 62 N 0.02 -0.13 0.23 1.36 3.84 -0.69 -1.48 114.94 118.09 3gal s ASN 62 Ca -0.06 -0.76 0.07 0.00 0.21 0.00 0.00 52.86 52.32 3gal s ASN 62 Cb -0.13 0.71 -0.05 0.00 -0.55 0.00 0.00 41.25 41.22 3gal s ASN 62 CO 0.04 -1.35 -0.10 -0.94 -2.79 0.00 0.00 177.10 171.95 3gal s SER 63 N -3.03 2.55 -0.06 -4.21 1.04 -1.26 -0.42 113.70 108.31 3gal s SER 63 Ca 0.14 -1.09 0.01 0.00 0.48 0.00 0.00 55.95 55.48 3gal s SER 63 Cb -0.05 -0.13 0.02 0.00 0.10 0.00 0.00 66.02 65.97 3gal s SER 63 CO 0.07 -0.26 -0.05 -0.75 0.98 0.00 0.00 173.24 173.23 3gal s LYS 64 N -3.69 1.05 -0.08 4.02 2.20 -0.31 -1.43 119.74 121.50 3gal s LYS 64 Ca 0.25 -0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.73 3gal s LYS 64 Cb 0.01 -1.08 0.02 0.00 -1.51 0.00 0.00 37.83 35.27 3gal s LYS 64 CO 0.08 -0.14 -0.08 -2.00 -0.36 0.00 0.00 175.35 172.86 3gal s GLU 65 N 1.21 1.33 -1.57 4.03 2.12 -0.32 -0.57 118.70 124.93 3gal s GLU 65 Ca -0.06 -0.24 -0.12 0.00 0.36 0.00 0.00 54.97 54.91 3gal s GLU 65 Cb -0.14 -1.29 0.10 0.00 0.26 0.00 0.00 34.13 33.06 3gal s GLU 65 CO -0.02 -0.13 0.77 1.04 -0.54 0.00 0.00 175.26 176.39 3gal n GLN 66 N 4.37 -4.03 0.00 4.30 1.13 -1.26 -1.37 117.38 120.52 3gal n GLN 66 Ca -0.18 0.46 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 3gal n GLN 66 Cb 0.51 -5.11 0.00 0.00 0.11 0.00 0.00 30.24 25.74 3gal n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gal n GLY 67 N -1.61 2.71 3.70 1.08 0.00 -1.26 -5.03 105.19 104.77 3gal n GLY 67 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3gal n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gal s SER 68 N -1.95 5.56 0.43 1.61 0.01 -0.47 -5.09 113.70 113.79 3gal s SER 68 Ca 0.00 0.18 -0.22 0.00 1.31 0.00 0.00 55.95 57.21 3gal s SER 68 Cb 0.00 -1.76 -0.09 0.00 0.21 0.00 0.00 66.02 64.38 3gal s SER 68 CO 0.00 0.31 1.01 0.26 0.41 0.00 0.00 173.24 175.24 3gal s TRP 69 N -0.47 3.23 0.00 2.43 0.52 -1.26 -1.18 118.94 122.21 3gal s TRP 69 Ca 0.09 1.63 0.00 0.00 0.02 0.00 0.00 56.10 57.84 3gal s TRP 69 Cb -0.12 -3.03 0.00 0.00 -1.15 0.00 0.00 33.47 29.17 3gal s TRP 69 CO 0.02 -0.50 0.00 0.41 0.02 0.00 0.00 176.95 176.90 3gal n GLY 70 N -0.05 1.26 3.70 0.98 0.00 -0.51 -4.94 105.19 105.63 3gal n GLY 70 Ca 0.07 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 3gal n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gal s ARG 71 N 2.18 4.40 0.32 1.61 3.52 -1.26 -4.87 118.95 124.85 3gal s ARG 71 Ca 0.00 1.63 -0.28 0.00 -0.13 0.00 0.00 55.73 56.95 3gal s ARG 71 Cb 0.00 -3.50 -0.09 0.00 -1.56 0.00 0.00 34.95 29.80 3gal s ARG 71 CO 0.00 -0.34 1.07 -1.21 -0.81 0.00 0.00 175.30 174.01 3gal s GLU 72 N 1.80 4.48 0.14 5.12 2.02 -1.26 -4.75 118.70 126.25 3gal s GLU 72 Ca 0.55 1.69 0.09 0.00 0.02 0.00 0.00 54.97 57.32 3gal s GLU 72 Cb -0.24 -2.96 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 3gal s GLU 72 CO 0.24 0.10 -0.20 -1.21 0.02 0.00 0.00 175.26 174.20 3gal s GLU 73 N -1.81 1.25 0.03 1.61 2.02 -0.55 -4.98 118.70 116.28 3gal s GLU 73 Ca 0.49 -1.33 0.03 0.00 0.02 0.00 0.00 54.97 54.18 3gal s GLU 73 Cb -0.28 -1.44 -0.02 0.00 0.10 0.00 0.00 34.13 32.49 3gal s GLU 73 CO 0.36 0.31 -0.08 1.03 0.02 0.00 0.00 175.26 176.90 3gal s ARG 74 N -2.42 0.57 0.67 1.61 0.52 -1.26 -0.72 118.95 117.92 3gal s ARG 74 Ca 0.13 -0.65 -0.01 0.00 -0.52 0.00 0.00 55.73 54.68 3gal s ARG 74 Cb -0.08 -0.43 0.13 0.00 0.52 0.00 0.00 34.95 35.10 3gal s ARG 74 CO 0.06 0.09 0.92 0.41 0.02 0.00 0.00 175.30 176.80 3gal n GLY 75 N 1.82 0.54 3.68 -3.53 0.00 -1.09 -5.02 105.19 101.59 3gal n GLY 75 Ca -0.20 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 3gal n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gal s PRO 76 N -4.88 4.39 2.42 1.61 0.04 -1.26 -4.73 135.00 132.59 3gal s PRO 76 Ca 0.60 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.97 3gal s PRO 76 Cb -0.03 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.95 3gal s PRO 76 CO 0.40 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.50 3gal n GLY 77 N 3.17 0.89 2.74 0.56 0.00 -1.26 -4.64 105.19 106.65 3gal n GLY 77 Ca 0.08 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 3gal n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gal s VAL 78 N 0.00 0.79 -0.12 1.61 1.01 -1.26 -4.14 120.40 118.29 3gal s VAL 78 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.87 3gal s VAL 78 Cb 0.00 -1.47 0.11 0.00 0.00 0.00 0.00 36.38 35.02 3gal s VAL 78 CO 0.00 -0.50 1.69 -0.81 0.00 0.00 0.00 175.10 175.49 3gal n PRO 79 N 4.91 1.31 -4.03 2.72 -0.04 -1.26 -4.80 135.00 133.80 3gal n PRO 79 Ca -0.05 -0.64 -0.12 0.00 -0.04 0.00 0.00 63.50 62.65 3gal n PRO 79 Cb 0.44 -1.25 -0.12 0.00 -0.04 0.00 0.00 33.50 32.52 3gal n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3gal s PHE 80 N -0.73 0.41 -0.08 0.54 0.08 -1.26 -4.96 117.98 111.98 3gal s PHE 80 Ca 0.12 -0.34 -0.07 0.00 0.12 0.00 0.00 56.93 56.77 3gal s PHE 80 Cb 0.10 -0.26 0.03 0.00 -0.57 0.00 0.00 43.02 42.32 3gal s PHE 80 CO 0.01 -0.08 0.21 1.14 -0.10 0.00 0.00 175.22 176.40 3gal s GLN 81 N -0.98 0.23 0.22 0.44 -2.07 -1.26 -5.05 119.66 111.19 3gal s GLN 81 Ca -0.07 0.34 -0.31 0.00 -1.82 0.00 0.00 55.36 53.50 3gal s GLN 81 Cb -0.07 0.06 -0.15 0.00 -1.09 0.00 0.00 33.01 31.76 3gal s GLN 81 CO -0.00 -0.06 1.13 0.54 -1.32 0.00 0.00 175.29 175.58 3gal n ARG 82 N 3.28 1.30 -0.82 9.60 1.74 -1.26 -1.22 116.66 129.27 3gal n ARG 82 Ca -0.16 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 3gal n ARG 82 Cb 0.57 -1.93 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 3gal n ARG 82 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gal n GLY 83 N 1.78 0.82 3.35 -0.13 0.00 0.16 -4.85 105.19 106.32 3gal n GLY 83 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 3gal n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gal s GLN 84 N -0.18 1.30 0.67 1.61 -1.52 -0.36 -4.90 119.66 116.29 3gal s GLN 84 Ca 0.00 -1.27 -0.12 0.00 -1.95 0.00 0.00 55.36 52.02 3gal s GLN 84 Cb 0.00 -1.69 0.00 0.00 -0.22 0.00 0.00 33.01 31.10 3gal s GLN 84 CO 0.00 0.40 1.07 -2.14 -0.25 0.00 0.00 175.29 174.37 3gal s PRO 85 N -1.97 2.95 0.19 2.91 0.02 -1.26 -1.49 135.00 136.34 3gal s PRO 85 Ca 0.11 1.07 -0.12 0.00 0.02 0.00 0.00 61.00 62.08 3gal s PRO 85 Cb -0.10 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.44 3gal s PRO 85 CO 0.05 -1.10 0.39 -0.59 -0.33 0.00 0.00 177.00 175.43 3gal s PHE 86 N -2.82 0.22 -0.07 6.54 -0.12 0.56 -4.90 117.98 117.39 3gal s PHE 86 Ca 0.60 -0.58 -0.03 0.00 -0.05 0.00 0.00 56.93 56.87 3gal s PHE 86 Cb -0.15 0.13 0.04 0.00 -0.63 0.00 0.00 43.02 42.41 3gal s PHE 86 CO 0.49 -0.83 0.16 -2.00 -0.05 0.00 0.00 175.22 172.99 3gal s GLU 87 N -3.95 0.09 -0.04 1.99 2.12 -1.26 -2.24 118.70 115.42 3gal s GLU 87 Ca 0.15 0.43 0.05 0.00 0.36 0.00 0.00 54.97 55.96 3gal s GLU 87 Cb 0.01 -0.19 -0.01 0.00 0.26 0.00 0.00 34.13 34.20 3gal s GLU 87 CO 0.01 -0.20 -0.18 0.08 -0.54 0.00 0.00 175.26 174.43 3gal s VAL 88 N 1.43 1.50 -0.14 3.70 1.01 -0.09 -0.75 120.40 127.06 3gal s VAL 88 Ca -0.07 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.15 3gal s VAL 88 Cb -0.12 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 3gal s VAL 88 CO -0.06 0.43 -0.16 -0.76 0.00 0.00 0.00 175.10 174.55 3gal s LEU 89 N -0.13 2.52 -0.24 3.92 1.43 0.17 -0.78 118.68 125.58 3gal s LEU 89 Ca -0.00 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3gal s LEU 89 Cb -0.10 -1.56 0.03 0.00 0.03 0.00 0.00 46.19 44.58 3gal s LEU 89 CO 0.01 0.13 -0.09 -0.63 0.23 0.00 0.00 176.35 176.01 3gal s ILE 90 N 0.53 2.71 -0.16 -0.59 1.01 0.04 -0.33 121.20 124.42 3gal s ILE 90 Ca -0.10 -1.04 -0.04 0.00 0.00 0.00 0.00 60.65 59.46 3gal s ILE 90 Cb -0.16 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 3gal s ILE 90 CO 0.04 0.24 -0.03 -0.63 0.00 0.00 0.00 174.94 174.56 3gal s ILE 91 N 1.31 3.96 -0.24 2.92 1.01 0.40 -0.28 121.20 130.27 3gal s ILE 91 Ca 0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 60.65 60.17 3gal s ILE 91 Cb -0.16 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 3gal s ILE 91 CO -0.06 0.48 0.37 0.00 0.00 0.00 0.00 174.94 175.74 3gal s ALA 92 N 0.45 3.57 0.42 9.38 0.00 -0.32 -0.73 121.76 134.52 3gal s ALA 92 Ca -0.03 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3gal s ALA 92 Cb -0.14 -2.66 -0.00 0.00 0.00 0.00 0.00 23.12 20.31 3gal s ALA 92 CO 0.03 -0.51 0.04 -1.13 0.00 0.00 0.00 175.76 174.19 3gal n SER 93 N 4.97 2.66 0.05 0.00 3.41 0.08 -0.21 113.62 124.58 3gal n SER 93 Ca -0.09 -2.92 0.01 0.00 -0.26 0.00 0.00 58.87 55.61 3gal n SER 93 Cb 0.51 0.47 0.32 0.00 -0.26 0.00 0.00 64.21 65.26 3gal n SER 93 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3gal h ASP 94 N 1.16 0.39 -0.01 4.04 5.19 -1.97 -3.22 116.42 122.00 3gal h ASP 94 Ca -0.34 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 3gal h ASP 94 Cb 1.09 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.50 3gal h ASP 94 CO 0.56 0.51 -0.57 -0.90 -3.12 0.00 0.00 179.24 175.71 3gal n ASP 95 N -4.27 1.32 0.00 6.45 5.75 -1.26 -4.94 116.55 119.61 3gal n ASP 95 Ca 0.01 -1.16 0.00 0.00 -0.01 0.00 0.00 54.79 53.62 3gal n ASP 95 Cb 0.27 0.71 0.00 0.00 -1.03 0.00 0.00 41.12 41.07 3gal n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gal n GLY 96 N 1.31 -0.81 3.39 6.12 0.00 -1.22 -1.95 105.19 112.04 3gal n GLY 96 Ca 0.06 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 3gal n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gal s PHE 97 N -3.00 2.67 -0.13 1.61 0.08 0.46 -0.74 117.98 118.94 3gal s PHE 97 Ca 0.00 -0.44 -0.03 0.00 0.12 0.00 0.00 56.93 56.58 3gal s PHE 97 Cb 0.00 -1.69 -0.03 0.00 -0.57 0.00 0.00 43.02 40.73 3gal s PHE 97 CO 0.00 -0.03 -0.03 0.15 -0.10 0.00 0.00 175.22 175.21 3gal s LYS 98 N -0.27 3.43 -0.17 0.44 1.02 0.09 -0.63 119.74 123.65 3gal s LYS 98 Ca 0.01 -0.49 -0.04 0.00 0.02 0.00 0.00 55.97 55.47 3gal s LYS 98 Cb -0.13 -2.86 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 3gal s LYS 98 CO 0.03 0.39 -0.02 0.00 -0.92 0.00 0.00 175.35 174.83 3gal s ALA 99 N -0.05 3.01 -0.14 5.17 0.00 -0.14 -0.45 121.76 129.15 3gal s ALA 99 Ca 0.02 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.10 3gal s ALA 99 Cb -0.13 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.35 3gal s ALA 99 CO 0.02 0.06 -0.19 0.08 0.00 0.00 0.00 175.76 175.73 3gal s VAL 100 N 0.64 2.32 -0.19 0.00 1.01 0.56 0.09 120.40 124.82 3gal s VAL 100 Ca -0.02 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 3gal s VAL 100 Cb -0.14 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.29 3gal s VAL 100 CO 0.02 0.54 -0.10 -0.69 0.00 0.00 0.00 175.10 174.87 3gal s VAL 101 N 0.75 2.93 0.00 2.92 1.01 -0.44 -0.65 120.40 126.92 3gal s VAL 101 Ca -0.08 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3gal s VAL 101 Cb -0.16 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.93 3gal s VAL 101 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.19 3gal n GLY 102 N 4.53 3.28 1.13 4.51 0.00 0.07 -1.93 105.19 116.78 3gal n GLY 102 Ca -0.19 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.77 3gal n GLY 102 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gal n ASP 103 N 7.83 4.17 -4.24 1.61 2.03 -1.26 -4.95 116.55 121.73 3gal n ASP 103 Ca 0.00 -2.72 -0.26 0.00 0.52 0.00 0.00 54.79 52.34 3gal n ASP 103 Cb 0.00 -0.52 -0.14 0.00 -0.72 0.00 0.00 41.12 39.74 3gal n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gal s ALA 104 N -2.31 1.73 0.00 -1.67 0.00 -0.81 -5.09 121.76 113.61 3gal s ALA 104 Ca 0.42 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.05 3gal s ALA 104 Cb 0.31 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 3gal s ALA 104 CO 0.14 0.39 1.34 -1.14 0.00 0.00 0.00 175.76 176.49 3gal s GLN 105 N -1.09 4.31 -0.25 0.00 2.00 -1.26 -1.32 119.66 122.05 3gal s GLN 105 Ca 0.07 1.90 -0.05 0.00 -2.00 0.00 0.00 55.36 55.27 3gal s GLN 105 Cb -0.09 -3.52 -0.13 0.00 0.80 0.00 0.00 33.01 30.07 3gal s GLN 105 CO 0.01 -0.51 -0.27 0.98 -0.50 0.00 0.00 175.29 175.00 3gal n TYR 106 N 5.10 0.00 -3.51 1.67 9.36 0.11 -4.90 117.16 124.99 3gal n TYR 106 Ca 0.12 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.18 3gal n TYR 106 Cb 0.44 -0.92 -0.05 0.00 -0.63 0.00 0.00 39.34 38.18 3gal n TYR 106 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 3gal s HIS 107 N -2.47 -0.61 -0.20 2.98 5.04 -1.13 -4.61 115.29 114.30 3gal s HIS 107 Ca -0.34 0.94 0.00 0.00 -1.54 0.00 0.00 55.06 54.12 3gal s HIS 107 Cb 0.11 0.44 0.02 0.00 0.04 0.00 0.00 32.58 33.19 3gal s HIS 107 CO 0.50 -0.63 -0.16 -1.58 -2.34 0.00 0.00 174.74 170.53 3gal s HIS 108 N -1.64 2.86 -0.34 3.88 2.46 -1.26 -0.97 115.29 120.28 3gal s HIS 108 Ca -0.08 -1.57 -0.07 0.00 0.47 0.00 0.00 55.06 53.81 3gal s HIS 108 Cb -0.00 -1.96 0.03 0.00 -0.13 0.00 0.00 32.58 30.52 3gal s HIS 108 CO 0.05 -0.77 0.11 0.12 -2.47 0.00 0.00 174.74 171.78 3gal s PHE 109 N 1.31 3.24 0.30 3.88 5.36 0.20 -4.96 117.98 127.30 3gal s PHE 109 Ca 0.04 -1.32 -0.29 0.00 -0.96 0.00 0.00 56.93 54.40 3gal s PHE 109 Cb -0.14 -2.29 -0.10 0.00 -0.34 0.00 0.00 43.02 40.16 3gal s PHE 109 CO -0.10 -0.70 1.13 0.50 -1.46 0.00 0.00 175.22 174.58 3gal s ARG 110 N 1.43 4.54 0.17 10.12 3.52 -1.26 -0.40 118.95 137.07 3gal s ARG 110 Ca -0.01 1.85 -0.33 0.00 -0.13 0.00 0.00 55.73 57.11 3gal s ARG 110 Cb -0.19 -3.11 -0.15 0.00 -1.56 0.00 0.00 34.95 29.94 3gal s ARG 110 CO 0.03 0.11 1.32 0.72 -0.81 0.00 0.00 175.30 176.67 3gal n HIS 111 N 1.01 1.70 -0.05 5.12 8.25 -0.82 -4.89 115.22 125.53 3gal n HIS 111 Ca -0.00 0.55 -0.07 0.00 -0.26 0.00 0.00 57.72 57.94 3gal n HIS 111 Cb 0.45 -2.37 -0.06 0.00 1.12 0.00 0.00 29.99 29.12 3gal n HIS 111 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3gal n ARG 112 N 2.22 1.10 -4.38 -0.41 1.74 -1.26 -5.00 116.66 110.67 3gal n ARG 112 Ca 0.15 0.04 -0.24 0.00 -0.77 0.00 0.00 57.85 57.03 3gal n ARG 112 Cb 0.26 -1.23 -0.09 0.00 -1.02 0.00 0.00 32.46 30.38 3gal n ARG 112 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3gal s LEU 113 N -5.31 2.86 0.23 0.55 1.43 -1.26 -5.08 118.68 112.09 3gal s LEU 113 Ca -0.12 -0.82 -0.31 0.00 -1.03 0.00 0.00 54.13 51.86 3gal s LEU 113 Cb 0.04 -1.41 -0.11 0.00 0.03 0.00 0.00 46.19 44.74 3gal s LEU 113 CO 0.30 0.04 1.59 -2.84 0.23 0.00 0.00 176.35 175.68 3gal s PRO 114 N -3.43 4.17 0.42 1.29 0.02 -1.26 -4.86 135.00 131.35 3gal s PRO 114 Ca 0.29 2.48 0.13 0.00 0.02 0.00 0.00 61.00 63.92 3gal s PRO 114 Cb -0.06 -3.09 0.99 0.00 0.02 0.00 0.00 34.50 32.36 3gal s PRO 114 CO 0.17 -0.62 1.96 1.25 -0.33 0.00 0.00 177.00 179.42 3gal h LEU 115 N 5.94 0.42 -1.84 -5.54 6.46 -1.97 -0.36 115.31 118.42 3gal h LEU 115 Ca -0.45 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.33 3gal h LEU 115 Cb 1.21 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.07 3gal h LEU 115 CO 0.87 0.25 0.01 0.00 -0.62 0.00 0.00 178.44 178.94 3gal h ALA 116 N 1.67 1.01 0.00 1.25 0.00 -1.89 -1.97 119.26 119.32 3gal h ALA 116 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3gal h ALA 116 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3gal h ALA 116 CO -0.09 -0.01 -0.35 0.54 0.00 0.00 0.00 179.25 179.34 3gal n ARG 117 N -2.47 0.27 -1.94 0.00 1.74 -0.14 -4.85 116.66 109.26 3gal n ARG 117 Ca -0.02 0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.78 3gal n ARG 117 Cb 0.05 -1.73 -0.03 0.00 -1.02 0.00 0.00 32.46 29.73 3gal n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gal s VAL 118 N -3.13 2.91 0.00 1.55 1.01 -0.74 -4.25 120.40 117.74 3gal s VAL 118 Ca 0.08 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.56 3gal s VAL 118 Cb 0.13 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.19 3gal s VAL 118 CO 0.67 0.01 0.18 0.54 0.00 0.00 0.00 175.10 176.50 3gal n ARG 119 N 4.97 -0.01 -3.59 2.72 5.12 0.61 -4.23 116.66 122.26 3gal n ARG 119 Ca 0.15 -0.18 -0.15 0.00 -1.93 0.00 0.00 57.85 55.75 3gal n ARG 119 Cb 0.40 -0.64 -0.06 0.00 -1.16 0.00 0.00 32.46 31.00 3gal n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3gal s LEU 120 N -0.10 -0.65 -0.13 0.55 2.96 -0.77 -0.67 118.68 119.87 3gal s LEU 120 Ca 0.00 1.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.93 3gal s LEU 120 Cb 0.00 2.37 -0.01 0.00 0.50 0.00 0.00 46.19 49.05 3gal s LEU 120 CO 0.00 -0.38 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.81 3gal s VAL 121 N -0.34 2.78 -0.05 1.68 1.01 -0.72 0.01 120.40 124.77 3gal s VAL 121 Ca -0.04 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.21 3gal s VAL 121 Cb -0.03 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.22 3gal s VAL 121 CO 0.03 0.53 -0.07 -0.70 0.00 0.00 0.00 175.10 174.90 3gal s GLU 122 N 0.48 1.03 -0.11 2.72 2.12 -0.20 -1.32 118.70 123.42 3gal s GLU 122 Ca -0.11 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.04 3gal s GLU 122 Cb -0.16 -0.96 -0.02 0.00 0.26 0.00 0.00 34.13 33.25 3gal s GLU 122 CO 0.05 -0.04 -0.12 0.08 -0.54 0.00 0.00 175.26 174.69 3gal s VAL 123 N 0.79 3.18 0.35 3.70 1.01 -0.02 -0.15 120.40 129.26 3gal s VAL 123 Ca -0.12 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 3gal s VAL 123 Cb -0.14 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.94 3gal s VAL 123 CO 0.01 0.54 0.59 -0.83 0.00 0.00 0.00 175.10 175.41 3gal s GLY 124 N 0.05 1.06 0.00 4.51 0.00 -0.61 -2.10 107.32 110.23 3gal s GLY 124 Ca -0.04 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.46 3gal s GLY 124 CO 0.04 -0.74 0.00 0.61 0.00 0.00 0.00 173.10 173.01 3gal n GLY 125 N -0.55 -1.37 3.51 0.20 0.00 -1.26 -0.92 105.19 104.81 3gal n GLY 125 Ca -0.02 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 3gal n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gal s ASP 126 N -4.00 6.67 -0.14 1.61 1.01 0.32 -4.92 116.67 117.22 3gal s ASP 126 Ca 0.00 -2.00 -0.20 0.00 0.71 0.00 0.00 52.55 51.05 3gal s ASP 126 Cb 0.00 -2.49 0.05 0.00 1.01 0.00 0.00 42.92 41.49 3gal s ASP 126 CO 0.00 -1.21 0.53 0.54 0.21 0.00 0.00 175.17 175.24 3gal s VAL 127 N 3.67 0.01 -0.36 -1.27 0.11 -1.26 -4.52 120.40 116.78 3gal s VAL 127 Ca 0.42 -0.08 -0.12 0.00 -2.93 0.00 0.00 61.98 59.27 3gal s VAL 127 Cb -0.01 -0.78 0.01 0.00 -1.53 0.00 0.00 36.38 34.07 3gal s VAL 127 CO -0.06 -0.04 0.23 -1.58 -3.33 0.00 0.00 175.10 170.31 3gal s GLN 128 N -0.26 3.17 -0.18 1.54 0.74 0.30 -4.71 119.66 120.26 3gal s GLN 128 Ca -0.04 -0.86 -0.19 0.00 0.05 0.00 0.00 55.36 54.32 3gal s GLN 128 Cb -0.03 -3.77 -0.03 0.00 1.10 0.00 0.00 33.01 30.27 3gal s GLN 128 CO 0.03 -0.57 0.54 -1.17 -0.55 0.00 0.00 175.29 173.57 3gal s LEU 129 N 1.65 4.18 -0.20 3.68 2.96 -1.26 -0.19 118.68 129.50 3gal s LEU 129 Ca 0.04 0.76 0.16 0.00 -0.22 0.00 0.00 54.13 54.87 3gal s LEU 129 Cb -0.18 -2.76 -0.23 0.00 0.50 0.00 0.00 46.19 43.52 3gal s LEU 129 CO 0.08 -0.16 0.04 0.47 -1.32 0.00 0.00 176.35 175.47 3gal n ASP 130 N 4.56 0.40 -3.62 3.68 8.00 -0.09 -4.32 116.55 125.16 3gal n ASP 130 Ca -0.04 -0.01 -0.07 0.00 0.71 0.00 0.00 54.79 55.37 3gal n ASP 130 Cb 0.51 0.85 -0.06 0.00 -0.02 0.00 0.00 41.12 42.40 3gal n ASP 130 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3gal s SER 131 N -5.46 -0.29 -0.16 -2.24 1.04 -0.99 -5.00 113.70 100.59 3gal s SER 131 Ca -0.12 0.43 -0.02 0.00 0.48 0.00 0.00 55.95 56.72 3gal s SER 131 Cb 0.06 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.63 3gal s SER 131 CO 0.77 -0.18 0.02 -0.69 0.98 0.00 0.00 173.24 174.14 3gal s VAL 132 N -0.50 0.51 0.09 5.02 1.01 -1.26 -0.96 120.40 124.32 3gal s VAL 132 Ca 0.03 -0.40 0.10 0.00 0.00 0.00 0.00 61.98 61.71 3gal s VAL 132 Cb -0.03 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 3gal s VAL 132 CO -0.05 -0.08 -0.25 -0.13 0.00 0.00 0.00 175.10 174.58 3gal s ARG 133 N 1.88 1.62 -0.21 2.72 1.81 -0.42 -4.97 118.95 121.37 3gal s ARG 133 Ca 0.01 -1.23 0.01 0.00 -1.72 0.00 0.00 55.73 52.80 3gal s ARG 133 Cb -0.16 -1.97 0.05 0.00 -0.45 0.00 0.00 34.95 32.42 3gal s ARG 133 CO -0.07 0.48 -0.09 0.42 -0.68 0.00 0.00 175.30 175.35 3gal s ILE 134 N -0.97 1.67 -2.34 1.52 1.01 -1.26 -0.26 121.20 120.56 3gal s ILE 134 Ca 0.14 -1.10 0.19 0.00 0.00 0.00 0.00 60.65 59.87 3gal s ILE 134 Cb -0.10 -1.78 0.15 0.00 0.01 0.00 0.00 42.46 40.74 3gal s ILE 134 CO 0.05 0.10 1.09 0.49 0.00 0.00 0.00 174.94 176.68