#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4gal n ASN 2 N 0.00 5.13 -4.66 -3.46 2.85 -1.26 -4.99 115.26 108.88 4gal n ASN 2 Ca 0.00 -3.27 -0.39 0.00 -0.11 0.00 0.00 54.58 50.81 4gal n ASN 2 Cb 0.00 -1.12 -0.07 0.00 1.24 0.00 0.00 39.78 39.83 4gal n ASN 2 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 4gal s VAL 3 N -2.07 5.13 0.63 3.44 1.01 -1.26 -4.91 120.40 122.38 4gal s VAL 3 Ca 0.32 0.86 -0.16 0.00 0.00 0.00 0.00 61.98 62.99 4gal s VAL 3 Cb 0.01 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 4gal s VAL 3 CO -0.02 0.19 1.11 -2.84 0.00 0.00 0.00 175.10 173.54 4gal s PRO 4 N 1.64 2.92 0.14 2.72 0.02 -1.26 -4.96 135.00 136.22 4gal s PRO 4 Ca 0.22 1.44 -0.30 0.00 0.02 0.00 0.00 61.00 62.38 4gal s PRO 4 Cb -0.15 -1.96 -0.07 0.00 0.02 0.00 0.00 34.50 32.34 4gal s PRO 4 CO 0.09 -1.16 0.98 -1.58 -0.33 0.00 0.00 177.00 175.00 4gal s HIS 5 N -2.21 3.80 -0.05 6.54 5.65 -0.18 -4.90 115.29 123.94 4gal s HIS 5 Ca 0.68 1.79 0.04 0.00 0.25 0.00 0.00 55.06 57.82 4gal s HIS 5 Cb -0.21 -3.08 -0.00 0.00 -1.18 0.00 0.00 32.58 28.10 4gal s HIS 5 CO 0.38 0.11 -0.18 0.15 -0.65 0.00 0.00 174.74 174.55 4gal s LYS 6 N -0.26 1.97 -0.05 2.88 1.02 -1.26 -2.17 119.74 121.87 4gal s LYS 6 Ca 0.46 -0.65 -0.00 0.00 0.02 0.00 0.00 55.97 55.80 4gal s LYS 6 Cb -0.25 -1.68 0.03 0.00 -0.52 0.00 0.00 37.83 35.41 4gal s LYS 6 CO 0.31 0.24 -0.02 -1.12 -0.92 0.00 0.00 175.35 173.84 4gal s SER 7 N 0.09 1.13 0.46 2.83 0.01 -0.40 -4.99 113.70 112.83 4gal s SER 7 Ca -0.06 -0.09 -0.21 0.00 1.31 0.00 0.00 55.95 56.90 4gal s SER 7 Cb -0.13 -0.41 -0.09 0.00 0.21 0.00 0.00 66.02 65.60 4gal s SER 7 CO 0.03 -0.12 1.01 -0.44 0.41 0.00 0.00 173.24 174.13 4gal s SER 8 N 1.38 6.55 -0.54 2.44 0.01 -1.26 -0.47 113.70 121.80 4gal s SER 8 Ca -0.04 1.87 -0.02 0.00 1.31 0.00 0.00 55.95 59.06 4gal s SER 8 Cb -0.13 -2.56 0.14 0.00 0.21 0.00 0.00 66.02 63.68 4gal s SER 8 CO -0.02 -0.64 0.35 -0.76 0.41 0.00 0.00 173.24 172.57 4gal s LEU 9 N -3.33 5.19 0.13 2.44 1.43 -0.48 -4.87 118.68 119.19 4gal s LEU 9 Ca 0.65 -2.58 -0.30 0.00 -1.03 0.00 0.00 54.13 50.87 4gal s LEU 9 Cb -0.15 -1.83 -0.08 0.00 0.03 0.00 0.00 46.19 44.16 4gal s LEU 9 CO 0.18 -0.42 1.58 -0.65 0.23 0.00 0.00 176.35 177.27 4gal h PRO 10 N 7.35 -0.52 -0.79 1.29 0.11 -1.95 -1.27 132.00 136.22 4gal h PRO 10 Ca -0.06 0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.02 4gal h PRO 10 Cb 0.98 0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 4gal h PRO 10 CO 0.71 -0.35 0.09 -1.91 -0.21 0.00 0.00 178.00 176.33 4gal n GLU 11 N -5.44 3.10 0.00 1.05 4.07 -1.26 -5.03 120.64 117.13 4gal n GLU 11 Ca -0.05 -1.96 0.00 0.00 -0.06 0.00 0.00 57.16 55.09 4gal n GLU 11 Cb 0.37 -1.93 0.00 0.00 -0.06 0.00 0.00 31.44 29.82 4gal n GLU 11 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 4gal n GLY 12 N 0.19 0.67 3.11 8.31 0.00 -0.48 -4.83 105.19 112.16 4gal n GLY 12 Ca 0.22 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 45.21 4gal n GLY 12 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 4gal s ILE 13 N 0.00 0.85 0.17 -0.61 -4.36 -1.26 -4.92 121.20 111.06 4gal s ILE 13 Ca 0.00 -1.06 -0.05 0.00 -0.26 0.00 0.00 60.65 59.28 4gal s ILE 13 Cb 0.00 -0.83 -0.03 0.00 1.25 0.00 0.00 42.46 42.85 4gal s ILE 13 CO 0.00 -0.20 0.19 -0.13 0.24 0.00 0.00 174.94 175.04 4gal s ARG 14 N -1.41 1.12 -0.13 0.37 0.52 -1.26 -4.50 118.95 113.66 4gal s ARG 14 Ca -0.04 -1.36 -0.37 0.00 -0.52 0.00 0.00 55.73 53.44 4gal s ARG 14 Cb -0.09 0.32 -0.15 0.00 0.52 0.00 0.00 34.95 35.55 4gal s ARG 14 CO 0.01 -0.38 1.70 -2.30 0.02 0.00 0.00 175.30 174.36 4gal n PRO 15 N -0.20 1.54 0.00 3.54 -0.02 -1.26 -0.66 135.00 137.94 4gal n PRO 15 Ca -0.04 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 4gal n PRO 15 Cb 0.64 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 4gal n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4gal n GLY 16 N 3.92 1.44 3.71 -1.23 0.00 0.36 -4.97 105.19 108.43 4gal n GLY 16 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 4gal n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 4gal s THR 17 N -2.01 4.88 -0.10 2.61 2.01 0.16 -4.95 115.64 118.24 4gal s THR 17 Ca 0.00 1.97 0.04 0.00 0.31 0.00 0.00 61.69 64.00 4gal s THR 17 Cb 0.00 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.23 4gal s THR 17 CO 0.00 0.15 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.15 4gal s VAL 18 N 1.14 2.04 -0.21 3.82 1.01 -0.07 -2.18 120.40 125.96 4gal s VAL 18 Ca 0.49 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 4gal s VAL 18 Cb -0.20 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 4gal s VAL 18 CO 0.25 0.56 0.04 -0.76 0.00 0.00 0.00 175.10 175.18 4gal s LEU 19 N 0.34 3.46 -0.25 3.92 1.02 -0.51 -0.30 118.68 126.36 4gal s LEU 19 Ca -0.19 -0.13 0.01 0.00 0.02 0.00 0.00 54.13 53.84 4gal s LEU 19 Cb -0.18 -1.89 0.04 0.00 0.02 0.00 0.00 46.19 44.19 4gal s LEU 19 CO 0.09 0.07 -0.09 -0.60 0.02 0.00 0.00 176.35 175.84 4gal s ARG 20 N 0.99 2.54 -0.17 1.70 3.52 0.60 -1.25 118.95 126.88 4gal s ARG 20 Ca 0.03 -1.16 -0.04 0.00 -0.13 0.00 0.00 55.73 54.43 4gal s ARG 20 Cb -0.14 -2.93 -0.03 0.00 -1.56 0.00 0.00 34.95 30.30 4gal s ARG 20 CO 0.02 -0.48 -0.03 0.42 -0.81 0.00 0.00 175.30 174.42 4gal s ILE 21 N 1.22 3.88 -0.02 4.11 1.01 -0.30 -1.69 121.20 129.39 4gal s ILE 21 Ca -0.04 -0.36 0.07 0.00 0.00 0.00 0.00 60.65 60.32 4gal s ILE 21 Cb -0.18 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 4gal s ILE 21 CO -0.05 0.48 -0.23 -0.13 0.00 0.00 0.00 174.94 175.00 4gal s ARG 22 N 0.53 2.00 0.00 2.79 0.52 -0.70 -0.38 118.95 123.71 4gal s ARG 22 Ca -0.03 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.34 4gal s ARG 22 Cb -0.14 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.45 4gal s ARG 22 CO 0.03 0.48 0.00 0.41 0.02 0.00 0.00 175.30 176.23 4gal n GLY 23 N 2.59 1.27 2.93 -3.53 0.00 -0.89 -0.85 105.19 106.72 4gal n GLY 23 Ca -0.16 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 4gal n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 4gal s LEU 24 N 0.00 1.19 -0.40 0.99 2.96 -0.42 -1.14 118.68 121.86 4gal s LEU 24 Ca 0.00 0.22 -0.27 0.00 -0.22 0.00 0.00 54.13 53.86 4gal s LEU 24 Cb 0.00 0.30 0.02 0.00 0.50 0.00 0.00 46.19 47.01 4gal s LEU 24 CO 0.00 -0.09 1.00 -0.69 -1.32 0.00 0.00 176.35 175.24 4gal s VAL 25 N 0.63 4.48 0.41 1.68 1.01 0.48 -1.32 120.40 127.77 4gal s VAL 25 Ca -0.05 1.22 -0.25 0.00 0.00 0.00 0.00 61.98 62.91 4gal s VAL 25 Cb -0.07 -4.42 -0.11 0.00 0.00 0.00 0.00 36.38 31.79 4gal s VAL 25 CO -0.03 -0.67 1.06 -2.65 0.00 0.00 0.00 175.10 172.81 4gal n PRO 26 N 7.07 1.47 -0.31 2.72 -0.02 -1.26 0.18 135.00 144.85 4gal n PRO 26 Ca 0.09 0.52 0.05 0.00 -2.02 0.00 0.00 63.50 62.14 4gal n PRO 26 Cb 0.48 -2.10 0.14 0.00 -0.02 0.00 0.00 33.50 32.00 4gal n PRO 26 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 4gal h PRO 27 N 1.68 0.01 -0.89 0.52 0.11 -1.92 0.76 132.00 132.28 4gal h PRO 27 Ca -0.45 -0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.30 4gal h PRO 27 Cb 1.33 -0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.22 4gal h PRO 27 CO 0.58 0.01 0.46 0.27 -0.21 0.00 0.00 178.00 179.10 4gal n ASN 28 N -5.54 4.26 -4.73 -2.05 6.94 -1.26 -4.58 115.26 108.30 4gal n ASN 28 Ca 0.14 -3.37 -0.42 0.00 -0.02 0.00 0.00 54.58 50.91 4gal n ASN 28 Cb 0.48 -0.79 -0.01 0.00 -2.36 0.00 0.00 39.78 37.10 4gal n ASN 28 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 4gal n ALA 29 N -0.61 2.10 -0.11 -2.53 0.00 0.26 -4.93 120.51 114.70 4gal n ALA 29 Ca 0.49 0.37 -0.20 0.00 0.00 0.00 0.00 53.44 54.10 4gal n ALA 29 Cb 1.51 -2.39 -0.08 0.00 0.00 0.00 0.00 19.45 18.48 4gal n ALA 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 4gal n SER 30 N 1.63 1.91 -3.60 0.00 2.88 -1.26 -4.63 113.62 110.54 4gal n SER 30 Ca 0.07 0.40 -0.04 0.00 -1.33 0.00 0.00 58.87 57.97 4gal n SER 30 Cb 0.36 -0.84 -0.02 0.00 -0.75 0.00 0.00 64.21 62.96 4gal n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 4gal s ARG 31 N -2.53 0.61 0.25 -1.46 1.70 -1.26 -1.58 118.95 114.68 4gal s ARG 31 Ca -0.31 -0.28 -0.09 0.00 -0.47 0.00 0.00 55.73 54.58 4gal s ARG 31 Cb 0.09 0.25 -0.01 0.00 -0.57 0.00 0.00 34.95 34.70 4gal s ARG 31 CO 0.46 -0.27 0.39 -0.59 -1.08 0.00 0.00 175.30 174.21 4gal s PHE 32 N -2.76 0.63 0.05 5.89 -0.71 -0.99 -0.60 117.98 119.50 4gal s PHE 32 Ca 0.10 -0.95 -0.11 0.00 -1.04 0.00 0.00 56.93 54.93 4gal s PHE 32 Cb 0.00 -0.02 0.01 0.00 -1.21 0.00 0.00 43.02 41.80 4gal s PHE 32 CO -0.05 -0.92 0.23 -3.38 -1.34 0.00 0.00 175.22 169.77 4gal s HIS 33 N -3.95 0.02 -0.13 3.49 -3.43 -0.47 -2.74 115.29 108.06 4gal s HIS 33 Ca 0.27 -0.26 0.01 0.00 -0.80 0.00 0.00 55.06 54.29 4gal s HIS 33 Cb 0.01 0.01 0.02 0.00 -1.43 0.00 0.00 32.58 31.19 4gal s HIS 33 CO 0.11 -0.48 -0.15 0.08 -2.00 0.00 0.00 174.74 172.30 4gal s VAL 34 N -2.84 1.55 -0.08 -5.38 1.01 0.32 -1.33 120.40 113.65 4gal s VAL 34 Ca -0.03 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.34 4gal s VAL 34 Cb 0.00 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 4gal s VAL 34 CO -0.05 0.45 -0.16 0.20 0.00 0.00 0.00 175.10 175.54 4gal s ASN 35 N 1.32 3.84 -0.36 3.32 0.01 0.16 -1.16 114.94 122.08 4gal s ASN 35 Ca 0.01 -0.29 -0.08 0.00 -0.71 0.00 0.00 52.86 51.79 4gal s ASN 35 Cb -0.14 -1.07 0.05 0.00 0.41 0.00 0.00 41.25 40.50 4gal s ASN 35 CO -0.08 0.27 0.15 -0.76 -1.51 0.00 0.00 177.10 175.18 4gal s LEU 36 N -0.30 4.57 0.26 0.60 1.43 0.02 -1.01 118.68 124.24 4gal s LEU 36 Ca 0.02 -1.20 0.07 0.00 -1.03 0.00 0.00 54.13 51.99 4gal s LEU 36 Cb -0.13 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 4gal s LEU 36 CO 0.03 -0.38 0.24 -0.76 0.23 0.00 0.00 176.35 175.70 4gal s LEU 37 N 1.43 3.90 0.00 1.79 1.43 -0.64 0.32 118.68 126.91 4gal s LEU 37 Ca 0.00 -0.20 0.21 0.00 -1.03 0.00 0.00 54.13 53.11 4gal s LEU 37 Cb -0.20 -2.45 0.52 0.00 0.03 0.00 0.00 46.19 44.10 4gal s LEU 37 CO 0.03 -0.07 1.44 0.00 0.23 0.00 0.00 176.35 177.99 4gal s GLY 39 N -1.13 -0.37 0.00 0.00 0.00 -1.26 -4.65 107.32 99.91 4gal s GLY 39 Ca 0.42 0.94 0.28 0.00 0.00 0.00 0.00 44.72 46.36 4gal s GLY 39 CO 0.30 0.24 1.76 1.18 0.00 0.00 0.00 173.10 176.59 4gal n GLU 40 N -0.36 1.52 -2.66 2.90 1.02 -1.26 -4.78 120.64 117.02 4gal n GLU 40 Ca -0.06 -0.84 -0.40 0.00 -0.02 0.00 0.00 57.16 55.84 4gal n GLU 40 Cb 0.61 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.50 4gal n GLU 40 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 4gal s GLU 41 N -2.06 4.78 0.14 3.49 8.01 -1.26 -4.97 118.70 126.82 4gal s GLU 41 Ca 0.37 1.58 -0.33 0.00 0.01 0.00 0.00 54.97 56.60 4gal s GLU 41 Cb 0.21 -3.24 -0.13 0.00 -4.31 0.00 0.00 34.13 26.67 4gal s GLU 41 CO 0.36 0.42 1.69 0.94 0.01 0.00 0.00 175.26 178.67 4gal n GLN 42 N 1.36 2.40 -0.74 1.61 7.27 -1.26 -1.51 117.38 126.52 4gal n GLN 42 Ca -0.02 0.87 0.00 0.00 0.07 0.00 0.00 57.00 57.92 4gal n GLN 42 Cb 0.46 -2.68 0.00 0.00 2.41 0.00 0.00 30.24 30.43 4gal n GLN 42 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 4gal n GLY 43 N 3.79 0.60 3.66 1.69 0.00 -1.26 -5.06 105.19 108.61 4gal n GLY 43 Ca 0.18 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 4gal n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 4gal s SER 44 N -2.68 2.63 0.62 1.61 0.01 -0.57 -4.62 113.70 110.70 4gal s SER 44 Ca 0.00 1.32 -0.16 0.00 1.31 0.00 0.00 55.95 58.42 4gal s SER 44 Cb 0.00 -2.00 -0.02 0.00 0.21 0.00 0.00 66.02 64.21 4gal s SER 44 CO 0.00 -3.15 1.12 -1.81 0.41 0.00 0.00 173.24 169.81 4gal s ASP 45 N -3.32 5.31 -0.28 2.44 1.01 -1.26 -4.86 116.67 115.72 4gal s ASP 45 Ca 0.65 2.05 0.01 0.00 0.71 0.00 0.00 52.55 55.97 4gal s ASP 45 Cb -0.19 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.23 4gal s ASP 45 CO 0.58 -1.49 -0.06 0.00 0.21 0.00 0.00 175.17 174.41 4gal s ALA 46 N -2.16 2.68 0.39 5.23 0.00 -0.35 -1.74 121.76 125.81 4gal s ALA 46 Ca 0.69 -1.76 0.08 0.00 0.00 0.00 0.00 51.96 50.97 4gal s ALA 46 Cb -0.21 -1.75 0.80 0.00 0.00 0.00 0.00 23.12 21.96 4gal s ALA 46 CO 0.37 -1.23 1.97 0.00 0.00 0.00 0.00 175.76 176.87 4gal h ALA 47 N 7.88 1.58 -2.78 0.00 0.00 -0.44 -1.97 119.26 123.53 4gal h ALA 47 Ca -0.20 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 4gal h ALA 47 Cb 1.05 -0.12 -0.26 0.00 0.00 0.00 0.00 17.79 18.46 4gal h ALA 47 CO 0.50 0.32 -0.31 -1.17 0.00 0.00 0.00 179.25 178.59 4gal s LEU 48 N -9.10 0.30 -0.24 0.00 2.96 -1.18 -4.66 118.68 106.75 4gal s LEU 48 Ca -0.07 0.78 -0.00 0.00 -0.22 0.00 0.00 54.13 54.62 4gal s LEU 48 Cb 0.16 1.25 0.07 0.00 0.50 0.00 0.00 46.19 48.17 4gal s LEU 48 CO 0.73 -0.16 -0.00 -2.28 -1.32 0.00 0.00 176.35 173.32 4gal s HIS 49 N 0.78 1.98 -0.29 5.38 5.65 0.14 -0.80 115.29 128.14 4gal s HIS 49 Ca -0.05 -1.56 -0.06 0.00 0.25 0.00 0.00 55.06 53.65 4gal s HIS 49 Cb -0.06 -1.51 0.01 0.00 -1.18 0.00 0.00 32.58 29.85 4gal s HIS 49 CO -0.06 -0.75 0.05 0.12 -0.65 0.00 0.00 174.74 173.45 4gal s PHE 50 N 1.53 3.14 -0.43 3.88 5.36 -0.31 -1.39 117.98 129.76 4gal s PHE 50 Ca -0.02 -1.14 0.02 0.00 -0.96 0.00 0.00 56.93 54.83 4gal s PHE 50 Cb -0.18 -2.21 0.14 0.00 -0.34 0.00 0.00 43.02 40.43 4gal s PHE 50 CO -0.09 -0.62 0.27 1.21 -1.46 0.00 0.00 175.22 174.52 4gal s ASN 51 N 1.45 3.23 0.09 6.13 3.04 0.10 -0.52 114.94 128.46 4gal s ASN 51 Ca 0.02 -2.68 -0.31 0.00 0.04 0.00 0.00 52.86 49.93 4gal s ASN 51 Cb -0.17 -0.83 -0.07 0.00 -1.54 0.00 0.00 41.25 38.63 4gal s ASN 51 CO 0.01 -0.25 1.36 -2.84 -3.04 0.00 0.00 177.10 172.34 4gal s PRO 52 N 0.34 4.33 -0.31 0.43 0.02 -1.11 -1.87 135.00 136.84 4gal s PRO 52 Ca 0.21 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.23 4gal s PRO 52 Cb -0.18 -3.32 0.07 0.00 0.02 0.00 0.00 34.50 31.09 4gal s PRO 52 CO -0.04 -0.43 0.01 1.03 -0.33 0.00 0.00 177.00 177.25 4gal s ARG 53 N 1.30 2.15 0.17 5.54 0.52 0.67 -2.35 118.95 126.95 4gal s ARG 53 Ca 0.63 -1.48 -0.09 0.00 -0.52 0.00 0.00 55.73 54.27 4gal s ARG 53 Cb -0.35 -3.18 0.03 0.00 0.52 0.00 0.00 34.95 31.98 4gal s ARG 53 CO 0.29 -0.73 1.56 -0.07 0.02 0.00 0.00 175.30 176.37 4gal h LEU 54 N 7.88 1.01 -0.63 2.53 3.38 -1.57 0.81 115.31 128.72 4gal h LEU 54 Ca -0.16 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.34 4gal h LEU 54 Cb 1.05 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 4gal h LEU 54 CO 0.54 1.17 0.06 -2.24 0.09 0.00 0.00 178.44 178.07 4gal h ASP 55 N 0.85 1.04 -0.15 -0.43 3.04 -1.74 -2.50 116.42 116.53 4gal h ASP 55 Ca 0.11 -0.28 0.00 0.00 -3.24 0.00 0.00 57.03 53.62 4gal h ASP 55 Cb 0.79 -0.28 0.00 0.00 -1.04 0.00 0.00 39.33 38.81 4gal h ASP 55 CO 0.07 1.06 0.00 0.35 -2.04 0.00 0.00 179.24 178.68 4gal n THR 56 N -4.22 0.17 -3.81 1.15 -2.24 -1.23 -4.98 114.28 99.12 4gal n THR 56 Ca 0.03 -0.49 -0.31 0.00 -2.27 0.00 0.00 64.05 61.01 4gal n THR 56 Cb 0.31 0.98 0.01 0.00 -2.10 0.00 0.00 70.33 69.53 4gal n THR 56 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 4gal n SER 57 N 0.99 -4.93 -3.57 3.42 7.64 0.17 -5.00 113.62 112.34 4gal n SER 57 Ca 0.17 -1.01 -0.14 0.00 1.01 0.00 0.00 58.87 58.89 4gal n SER 57 Cb 0.51 -2.21 -0.06 0.00 -1.01 0.00 0.00 64.21 61.44 4gal n SER 57 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 4gal s GLU 58 N -5.76 0.82 -0.26 1.43 -1.05 -0.58 -4.79 118.70 108.51 4gal s GLU 58 Ca 0.23 0.41 -0.05 0.00 -0.15 0.00 0.00 54.97 55.41 4gal s GLU 58 Cb -0.11 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 4gal s GLU 58 CO 0.91 -0.21 0.01 0.08 0.95 0.00 0.00 175.26 176.99 4gal s VAL 59 N -0.70 3.54 -0.13 1.83 1.01 -1.26 -0.24 120.40 124.46 4gal s VAL 59 Ca -0.05 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 4gal s VAL 59 Cb -0.02 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 4gal s VAL 59 CO 0.04 0.24 0.15 -0.69 0.00 0.00 0.00 175.10 174.83 4gal s VAL 60 N 1.46 5.48 0.03 2.92 1.01 -0.78 -2.20 120.40 128.32 4gal s VAL 60 Ca 0.03 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.30 4gal s VAL 60 Cb -0.16 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 4gal s VAL 60 CO -0.01 0.59 -0.16 -0.36 0.00 0.00 0.00 175.10 175.15 4gal s PHE 61 N -0.79 2.61 -0.14 5.22 0.40 0.12 -0.72 117.98 124.68 4gal s PHE 61 Ca 0.14 -0.22 -0.34 0.00 -0.60 0.00 0.00 56.93 55.91 4gal s PHE 61 Cb -0.12 -1.49 0.13 0.00 0.51 0.00 0.00 43.02 42.05 4gal s PHE 61 CO 0.03 0.26 1.18 1.21 0.70 0.00 0.00 175.22 178.60 4gal s ASN 62 N -1.38 -0.15 0.32 1.36 3.84 -0.48 -1.26 114.94 117.19 4gal s ASN 62 Ca 0.15 -0.03 0.10 0.00 0.21 0.00 0.00 52.86 53.28 4gal s ASN 62 Cb -0.11 0.18 -0.06 0.00 -0.55 0.00 0.00 41.25 40.71 4gal s ASN 62 CO 0.05 -0.30 -0.11 -0.94 -2.79 0.00 0.00 177.10 173.01 4gal s SER 63 N -2.35 3.56 -0.23 -4.21 1.04 -1.26 0.27 113.70 110.52 4gal s SER 63 Ca 0.10 -1.16 -0.03 0.00 0.48 0.00 0.00 55.95 55.34 4gal s SER 63 Cb -0.00 -0.31 0.07 0.00 0.10 0.00 0.00 66.02 65.88 4gal s SER 63 CO -0.05 -0.17 0.07 -0.75 0.98 0.00 0.00 173.24 173.32 4gal s LYS 64 N -3.61 0.49 -0.18 4.02 2.20 -0.74 -2.26 119.74 119.66 4gal s LYS 64 Ca 0.31 -0.51 -0.03 0.00 -0.36 0.00 0.00 55.97 55.39 4gal s LYS 64 Cb 0.01 -1.88 -0.01 0.00 -1.51 0.00 0.00 37.83 34.44 4gal s LYS 64 CO 0.15 -0.78 -0.07 -2.00 -0.36 0.00 0.00 175.35 172.29 4gal s GLU 65 N 1.90 3.43 -1.45 4.03 2.56 -0.41 -1.21 118.70 127.55 4gal s GLU 65 Ca 0.03 -0.63 -0.09 0.00 0.00 0.00 0.00 54.97 54.28 4gal s GLU 65 Cb -0.17 -2.86 0.05 0.00 2.00 0.00 0.00 34.13 33.15 4gal s GLU 65 CO -0.16 0.01 0.94 0.94 -0.56 0.00 0.00 175.26 176.42 4gal n GLN 66 N 4.16 -5.70 0.00 4.30 7.27 -1.26 -2.68 117.38 123.47 4gal n GLN 66 Ca -0.18 0.64 0.00 0.00 0.07 0.00 0.00 57.00 57.53 4gal n GLN 66 Cb 0.52 -5.47 0.00 0.00 2.41 0.00 0.00 30.24 27.70 4gal n GLN 66 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 4gal n GLY 67 N -1.69 2.88 3.60 1.69 0.00 -1.26 -5.04 105.19 105.37 4gal n GLY 67 Ca -0.06 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 4gal n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 4gal s SER 68 N 0.71 4.58 1.29 1.61 1.04 -1.09 -5.10 113.70 116.74 4gal s SER 68 Ca 0.00 -0.25 -0.20 0.00 0.48 0.00 0.00 55.95 55.97 4gal s SER 68 Cb 0.00 -0.99 0.30 0.00 0.10 0.00 0.00 66.02 65.43 4gal s SER 68 CO 0.00 0.22 0.97 0.79 0.98 0.00 0.00 173.24 176.20 4gal n TRP 69 N 1.04 -3.80 -2.77 5.02 7.02 -1.26 -1.29 117.44 121.40 4gal n TRP 69 Ca -0.14 -0.89 0.00 0.00 -1.02 0.00 0.00 57.50 55.46 4gal n TRP 69 Cb 0.52 -1.09 0.00 0.00 -2.42 0.00 0.00 31.31 28.32 4gal n TRP 69 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 4gal n GLY 70 N -4.59 5.76 3.66 6.99 0.00 -0.96 -4.71 105.19 111.35 4gal n GLY 70 Ca 0.14 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 4gal n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 4gal s ARG 71 N 1.23 4.20 -0.14 1.61 3.00 -1.26 -4.87 118.95 122.73 4gal s ARG 71 Ca 0.00 2.09 -0.20 0.00 -1.00 0.00 0.00 55.73 56.62 4gal s ARG 71 Cb 0.00 -3.88 -0.04 0.00 0.00 0.00 0.00 34.95 31.03 4gal s ARG 71 CO 0.00 -0.79 0.56 -1.83 0.00 0.00 0.00 175.30 173.24 4gal s GLU 72 N 3.69 4.30 -0.15 5.12 -1.05 -1.26 -4.66 118.70 124.68 4gal s GLU 72 Ca 0.69 0.56 -0.07 0.00 -0.15 0.00 0.00 54.97 56.01 4gal s GLU 72 Cb -0.32 -3.49 -0.04 0.00 -0.44 0.00 0.00 34.13 29.84 4gal s GLU 72 CO 0.27 -0.00 0.08 -1.21 0.95 0.00 0.00 175.26 175.34 4gal s GLU 73 N 1.13 3.73 0.22 -4.83 2.02 -0.39 -4.93 118.70 115.65 4gal s GLU 73 Ca 0.28 -0.29 0.06 0.00 0.02 0.00 0.00 54.97 55.04 4gal s GLU 73 Cb -0.16 -3.16 -0.03 0.00 0.10 0.00 0.00 34.13 30.87 4gal s GLU 73 CO 0.12 0.46 0.25 0.50 0.02 0.00 0.00 175.26 176.60 4gal s ARG 74 N -0.14 3.14 0.46 1.61 3.52 -1.26 0.13 118.95 126.40 4gal s ARG 74 Ca 0.08 -0.88 0.07 0.00 -0.13 0.00 0.00 55.73 54.87 4gal s ARG 74 Cb -0.12 -2.72 -0.00 0.00 -1.56 0.00 0.00 34.95 30.55 4gal s ARG 74 CO 0.01 0.44 0.39 0.20 -0.81 0.00 0.00 175.30 175.53 4gal s GLY 75 N -3.68 2.21 -1.03 8.12 0.00 -0.94 -4.96 107.32 107.04 4gal s GLY 75 Ca 0.33 -1.75 -0.23 0.00 0.00 0.00 0.00 44.72 43.08 4gal s GLY 75 CO 0.26 -1.79 1.48 2.56 0.00 0.00 0.00 173.10 175.61 4gal s PRO 76 N -4.18 3.57 0.47 2.90 0.05 -1.26 -4.69 135.00 131.86 4gal s PRO 76 Ca 0.44 -1.13 0.00 0.00 0.05 0.00 0.00 61.00 60.36 4gal s PRO 76 Cb -0.02 -5.36 0.00 0.00 0.05 0.00 0.00 34.50 29.17 4gal s PRO 76 CO 0.26 -2.25 0.00 0.41 0.05 0.00 0.00 177.00 175.47 4gal n GLY 77 N 6.83 -2.30 2.96 0.56 0.00 -1.26 -4.81 105.19 107.16 4gal n GLY 77 Ca 0.34 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 4gal n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4gal s VAL 78 N -0.36 1.96 -0.98 1.61 1.01 -1.26 -4.39 120.40 117.98 4gal s VAL 78 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 59.92 4gal s VAL 78 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.96 4gal s VAL 78 CO 0.00 -0.55 0.50 -0.81 0.00 0.00 0.00 175.10 174.24 4gal n PRO 79 N 4.40 0.98 -4.35 2.72 -0.05 -1.26 -4.76 135.00 132.68 4gal n PRO 79 Ca 0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 63.50 63.20 4gal n PRO 79 Cb 0.42 -1.48 -0.13 0.00 -0.05 0.00 0.00 33.50 32.26 4gal n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 4gal s PHE 80 N -0.98 1.93 -0.01 0.54 0.08 -1.26 -4.95 117.98 113.33 4gal s PHE 80 Ca 0.00 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.65 4gal s PHE 80 Cb 0.00 -1.06 0.01 0.00 -0.57 0.00 0.00 43.02 41.40 4gal s PHE 80 CO 0.00 0.23 0.01 -1.14 -0.10 0.00 0.00 175.22 174.22 4gal s GLN 81 N -1.88 0.01 0.45 0.44 0.74 -1.26 -5.06 119.66 113.10 4gal s GLN 81 Ca 0.08 0.06 -0.23 0.00 0.05 0.00 0.00 55.36 55.33 4gal s GLN 81 Cb -0.10 -0.11 -0.10 0.00 1.10 0.00 0.00 33.01 33.80 4gal s GLN 81 CO 0.04 -0.06 0.88 0.54 -0.55 0.00 0.00 175.29 176.15 4gal n ARG 82 N 3.47 1.08 -0.87 1.67 1.74 -1.26 -1.82 116.66 120.66 4gal n ARG 82 Ca -0.18 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 4gal n ARG 82 Cb 0.56 -1.93 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 4gal n ARG 82 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 4gal n GLY 83 N 1.36 0.12 3.59 -0.13 0.00 0.47 -4.86 105.19 105.75 4gal n GLY 83 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 4gal n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 4gal s GLN 84 N -1.36 2.17 0.33 1.61 2.00 -0.76 -4.86 119.66 118.80 4gal s GLN 84 Ca 0.00 -1.08 -0.09 0.00 -2.00 0.00 0.00 55.36 52.19 4gal s GLN 84 Cb 0.00 -2.30 -0.06 0.00 0.80 0.00 0.00 33.01 31.45 4gal s GLN 84 CO 0.00 0.49 0.66 -1.25 -0.50 0.00 0.00 175.29 174.69 4gal s PRO 85 N -2.45 3.76 0.05 1.67 0.04 -1.26 -0.38 135.00 136.42 4gal s PRO 85 Ca 0.23 0.31 -0.02 0.00 0.04 0.00 0.00 61.00 61.56 4gal s PRO 85 Cb -0.10 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 31.89 4gal s PRO 85 CO 0.15 0.12 0.01 -0.59 0.04 0.00 0.00 177.00 176.74 4gal s PHE 86 N -2.15 0.39 -0.08 0.56 -0.12 -0.29 -4.94 117.98 111.35 4gal s PHE 86 Ca 0.49 -0.84 -0.00 0.00 -0.05 0.00 0.00 56.93 56.52 4gal s PHE 86 Cb -0.11 -0.28 0.02 0.00 -0.63 0.00 0.00 43.02 42.03 4gal s PHE 86 CO 0.28 -0.37 -0.04 -2.00 -0.05 0.00 0.00 175.22 173.04 4gal s GLU 87 N -3.32 1.04 -0.01 1.99 2.12 -1.26 -2.08 118.70 117.17 4gal s GLU 87 Ca 0.01 -0.10 0.07 0.00 0.36 0.00 0.00 54.97 55.32 4gal s GLU 87 Cb 0.03 -1.17 -0.02 0.00 0.26 0.00 0.00 34.13 33.22 4gal s GLU 87 CO -0.08 -0.22 -0.22 0.08 -0.54 0.00 0.00 175.26 174.29 4gal s VAL 88 N 1.55 2.46 -0.10 3.70 1.01 0.49 -1.69 120.40 127.83 4gal s VAL 88 Ca -0.00 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 60.95 4gal s VAL 88 Cb -0.13 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.32 4gal s VAL 88 CO -0.04 0.51 -0.22 -0.76 0.00 0.00 0.00 175.10 174.58 4gal s LEU 89 N -0.88 2.02 -0.26 3.92 1.43 0.58 -1.15 118.68 124.34 4gal s LEU 89 Ca 0.11 -0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 4gal s LEU 89 Cb -0.10 -1.32 0.03 0.00 0.03 0.00 0.00 46.19 44.82 4gal s LEU 89 CO 0.01 0.14 -0.03 -0.63 0.23 0.00 0.00 176.35 176.07 4gal s ILE 90 N 0.39 3.02 -0.28 -0.59 1.01 -0.38 -0.42 121.20 123.96 4gal s ILE 90 Ca -0.18 -1.07 -0.06 0.00 0.00 0.00 0.00 60.65 59.34 4gal s ILE 90 Cb -0.18 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.72 4gal s ILE 90 CO 0.08 0.12 0.05 -0.63 0.00 0.00 0.00 174.94 174.56 4gal s ILE 91 N 1.33 3.87 -0.24 2.92 1.01 0.73 -1.42 121.20 129.39 4gal s ILE 91 Ca -0.01 -0.61 -0.27 0.00 0.00 0.00 0.00 60.65 59.76 4gal s ILE 91 Cb -0.17 -2.93 0.01 0.00 0.01 0.00 0.00 42.46 39.37 4gal s ILE 91 CO -0.03 0.17 0.97 0.00 0.00 0.00 0.00 174.94 176.05 4gal s ALA 92 N 1.50 3.66 0.49 9.38 0.00 -0.92 -0.04 121.76 135.83 4gal s ALA 92 Ca 0.03 0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.07 4gal s ALA 92 Cb -0.16 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 4gal s ALA 92 CO 0.01 -1.04 0.09 -1.54 0.00 0.00 0.00 175.76 173.28 4gal s SER 93 N 1.29 4.21 0.39 0.00 1.04 0.46 -0.48 113.70 120.60 4gal s SER 93 Ca 0.41 -1.47 0.07 0.00 0.48 0.00 0.00 55.95 55.43 4gal s SER 93 Cb -0.15 0.24 0.80 0.00 0.10 0.00 0.00 66.02 67.01 4gal s SER 93 CO 0.07 -0.79 2.00 -2.24 0.98 0.00 0.00 173.24 173.26 4gal h ASP 94 N 1.33 0.57 -0.38 7.02 2.03 -1.95 -3.06 116.42 121.98 4gal h ASP 94 Ca -0.43 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 4gal h ASP 94 Cb 1.29 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 4gal h ASP 94 CO 0.72 0.39 0.00 -0.90 -1.03 0.00 0.00 179.24 178.42 4gal n ASP 95 N -4.47 3.23 0.00 4.15 5.68 -1.26 -4.95 116.55 118.93 4gal n ASP 95 Ca 0.08 -2.15 0.00 0.00 -0.50 0.00 0.00 54.79 52.21 4gal n ASP 95 Cb 0.17 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 4gal n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 4gal n GLY 96 N 0.51 -1.58 3.44 6.12 0.00 -1.16 -3.12 105.19 109.39 4gal n GLY 96 Ca 0.15 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 4gal n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 4gal s PHE 97 N -2.82 2.89 -0.20 1.61 0.08 0.12 -0.41 117.98 119.25 4gal s PHE 97 Ca 0.00 -0.45 -0.09 0.00 0.12 0.00 0.00 56.93 56.51 4gal s PHE 97 Cb 0.00 -1.87 -0.05 0.00 -0.57 0.00 0.00 43.02 40.54 4gal s PHE 97 CO 0.00 -0.09 0.11 0.15 -0.10 0.00 0.00 175.22 175.29 4gal s LYS 98 N 0.23 4.08 -0.24 0.44 1.02 0.95 -0.86 119.74 125.36 4gal s LYS 98 Ca -0.06 -0.28 -0.08 0.00 0.02 0.00 0.00 55.97 55.58 4gal s LYS 98 Cb -0.15 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.76 4gal s LYS 98 CO 0.04 0.24 0.08 0.00 -0.92 0.00 0.00 175.35 174.79 4gal s ALA 99 N 0.51 3.24 -0.15 5.17 0.00 0.43 -0.19 121.76 130.76 4gal s ALA 99 Ca 0.06 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.95 4gal s ALA 99 Cb -0.12 -2.10 -0.00 0.00 0.00 0.00 0.00 23.12 20.90 4gal s ALA 99 CO -0.00 -0.40 -0.15 0.08 0.00 0.00 0.00 175.76 175.29 4gal s VAL 100 N 1.45 2.71 -0.16 0.00 1.01 0.45 0.09 120.40 125.94 4gal s VAL 100 Ca 0.06 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.29 4gal s VAL 100 Cb -0.15 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.11 4gal s VAL 100 CO 0.04 0.52 -0.19 -0.69 0.00 0.00 0.00 175.10 174.78 4gal s VAL 101 N 0.73 1.96 -0.75 2.92 1.01 -0.18 -0.31 120.40 125.79 4gal s VAL 101 Ca -0.07 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 4gal s VAL 101 Cb -0.15 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.47 4gal s VAL 101 CO 0.01 0.53 0.62 0.61 0.00 0.00 0.00 175.10 176.87 4gal n GLY 102 N 4.50 -1.01 2.60 4.51 0.00 -0.68 -2.28 105.19 112.84 4gal n GLY 102 Ca -0.20 0.72 -0.02 0.00 0.00 0.00 0.00 46.02 46.53 4gal n GLY 102 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 4gal n ASP 103 N -2.09 -4.87 -3.81 1.61 9.92 -1.26 -4.98 116.55 111.07 4gal n ASP 103 Ca -0.26 0.04 -0.13 0.00 -0.53 0.00 0.00 54.79 53.91 4gal n ASP 103 Cb 0.69 -2.52 -0.14 0.00 -0.64 0.00 0.00 41.12 38.50 4gal n ASP 103 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 4gal s ALA 104 N -1.51 -0.13 -0.05 2.24 0.00 -0.96 -5.10 121.76 116.24 4gal s ALA 104 Ca 0.00 0.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.00 4gal s ALA 104 Cb 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 23.12 22.83 4gal s ALA 104 CO 0.00 -0.08 1.81 -1.14 0.00 0.00 0.00 175.76 176.35 4gal s GLN 105 N 0.56 4.04 -0.23 0.00 2.00 -1.26 -1.01 119.66 123.75 4gal s GLN 105 Ca -0.04 2.27 -0.16 0.00 -2.00 0.00 0.00 55.36 55.42 4gal s GLN 105 Cb -0.06 -4.09 -0.12 0.00 0.80 0.00 0.00 33.01 29.55 4gal s GLN 105 CO -0.02 -1.04 -0.22 0.98 -0.50 0.00 0.00 175.29 174.49 4gal n TYR 106 N 7.80 0.31 -3.70 1.67 9.36 0.11 -4.91 117.16 127.80 4gal n TYR 106 Ca 0.19 0.13 -0.13 0.00 3.32 0.00 0.00 57.90 61.42 4gal n TYR 106 Cb 0.43 -0.90 -0.07 0.00 -0.63 0.00 0.00 39.34 38.17 4gal n TYR 106 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 4gal s HIS 107 N -2.53 -0.22 -0.12 2.98 5.04 -1.08 -4.66 115.29 114.69 4gal s HIS 107 Ca -0.33 0.19 0.03 0.00 -1.54 0.00 0.00 55.06 53.42 4gal s HIS 107 Cb 0.10 0.18 0.00 0.00 0.04 0.00 0.00 32.58 32.90 4gal s HIS 107 CO 0.48 -0.53 -0.22 -1.58 -2.34 0.00 0.00 174.74 170.54 4gal s HIS 108 N -2.30 2.63 -0.23 3.88 2.46 -1.26 -0.43 115.29 120.04 4gal s HIS 108 Ca -0.06 -1.18 -0.00 0.00 0.47 0.00 0.00 55.06 54.29 4gal s HIS 108 Cb -0.01 -1.77 0.03 0.00 -0.13 0.00 0.00 32.58 30.69 4gal s HIS 108 CO -0.01 -0.51 -0.11 0.12 -2.47 0.00 0.00 174.74 171.76 4gal s PHE 109 N 0.59 3.01 0.38 3.88 5.36 -0.04 -4.95 117.98 126.20 4gal s PHE 109 Ca -0.12 -1.66 -0.25 0.00 -0.96 0.00 0.00 56.93 53.93 4gal s PHE 109 Cb -0.17 -2.00 -0.09 0.00 -0.34 0.00 0.00 43.02 40.42 4gal s PHE 109 CO 0.03 -0.76 1.07 1.03 -1.46 0.00 0.00 175.22 175.13 4gal s ARG 110 N 1.29 4.21 0.15 10.12 0.52 -1.26 0.14 118.95 134.12 4gal s ARG 110 Ca 0.01 1.59 -0.33 0.00 -0.52 0.00 0.00 55.73 56.47 4gal s ARG 110 Cb -0.16 -2.65 -0.13 0.00 0.52 0.00 0.00 34.95 32.53 4gal s ARG 110 CO -0.07 -0.12 1.66 0.72 0.02 0.00 0.00 175.30 177.51 4gal n HIS 111 N 0.12 2.42 -0.09 -0.53 8.25 -1.18 -4.87 115.22 119.33 4gal n HIS 111 Ca 0.04 0.15 -0.19 0.00 -0.26 0.00 0.00 57.72 57.46 4gal n HIS 111 Cb 0.49 -2.60 -0.07 0.00 1.12 0.00 0.00 29.99 28.93 4gal n HIS 111 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 4gal n ARG 112 N 4.02 0.39 -3.42 -0.41 1.74 -1.26 -4.99 116.66 112.74 4gal n ARG 112 Ca 0.17 0.17 -0.20 0.00 -0.77 0.00 0.00 57.85 57.22 4gal n ARG 112 Cb 0.31 -1.16 -0.00 0.00 -1.02 0.00 0.00 32.46 30.59 4gal n ARG 112 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 4gal s LEU 113 N -6.95 3.94 0.10 0.55 1.43 -1.26 -5.07 118.68 111.41 4gal s LEU 113 Ca -0.25 -0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 52.48 4gal s LEU 113 Cb 0.10 -2.84 -0.06 0.00 0.03 0.00 0.00 46.19 43.42 4gal s LEU 113 CO 0.32 -0.45 0.92 -2.16 0.23 0.00 0.00 176.35 175.21 4gal s PRO 114 N -4.23 4.65 0.34 1.29 0.05 -1.26 -4.93 135.00 130.91 4gal s PRO 114 Ca 0.45 1.37 0.14 0.00 0.05 0.00 0.00 61.00 63.00 4gal s PRO 114 Cb -0.10 -3.37 1.06 0.00 0.05 0.00 0.00 34.50 32.14 4gal s PRO 114 CO 0.32 0.23 1.67 -0.07 0.05 0.00 0.00 177.00 179.21 4gal h LEU 115 N 5.58 0.54 -2.04 -3.56 3.38 -1.98 -0.21 115.31 117.03 4gal h LEU 115 Ca -0.43 0.18 0.13 0.00 0.09 0.00 0.00 57.88 57.85 4gal h LEU 115 Cb 1.21 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 4gal h LEU 115 CO 0.71 -0.10 0.36 0.00 0.09 0.00 0.00 178.44 179.51 4gal h ALA 116 N 1.83 2.29 0.00 1.53 0.00 -1.92 -1.87 119.26 121.12 4gal h ALA 116 Ca 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.62 4gal h ALA 116 Cb 1.61 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.43 4gal h ALA 116 CO -0.59 -0.59 -0.27 0.00 0.00 0.00 0.00 179.25 177.80 4gal h ARG 117 N 0.00 0.00 -6.58 0.00 3.08 -1.41 -3.47 114.38 106.01 4gal h ARG 117 Ca 0.21 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.73 4gal h ARG 117 Cb 0.93 0.00 0.04 0.00 0.08 0.00 0.00 29.97 31.02 4gal h ARG 117 CO -0.00 0.00 0.85 0.08 -1.07 0.00 0.00 179.97 179.83 4gal s VAL 118 N -3.14 2.80 0.00 2.04 1.01 -0.70 -4.29 120.40 118.12 4gal s VAL 118 Ca 0.08 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.62 4gal s VAL 118 Cb 0.12 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.15 4gal s VAL 118 CO 0.65 0.04 0.00 0.54 0.00 0.00 0.00 175.10 176.33 4gal n ARG 119 N 4.08 3.23 -3.64 2.72 1.74 0.48 -4.33 116.66 120.94 4gal n ARG 119 Ca 0.13 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.11 4gal n ARG 119 Cb 0.39 -0.50 -0.05 0.00 -1.02 0.00 0.00 32.46 31.29 4gal n ARG 119 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 4gal s LEU 120 N -1.15 0.44 -0.08 0.55 2.34 -1.05 -1.38 118.68 118.35 4gal s LEU 120 Ca 0.00 -0.32 0.02 0.00 0.06 0.00 0.00 54.13 53.89 4gal s LEU 120 Cb 0.00 1.81 -0.02 0.00 -0.56 0.00 0.00 46.19 47.41 4gal s LEU 120 CO 0.00 -0.84 -0.13 -0.69 -1.06 0.00 0.00 176.35 173.63 4gal s VAL 121 N -3.75 3.13 -0.05 1.48 1.01 0.38 -1.62 120.40 120.97 4gal s VAL 121 Ca 0.03 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.35 4gal s VAL 121 Cb 0.02 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.15 4gal s VAL 121 CO -0.12 0.57 -0.10 -0.70 0.00 0.00 0.00 175.10 174.76 4gal s GLU 122 N -0.40 1.38 -0.13 2.72 2.12 -0.18 -1.28 118.70 122.93 4gal s GLU 122 Ca 0.05 -0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.06 4gal s GLU 122 Cb -0.12 -1.19 0.02 0.00 0.26 0.00 0.00 34.13 33.09 4gal s GLU 122 CO 0.02 0.01 -0.14 0.08 -0.54 0.00 0.00 175.26 174.70 4gal s VAL 123 N 0.67 1.48 0.12 3.70 1.01 -0.92 0.40 120.40 126.86 4gal s VAL 123 Ca -0.13 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.27 4gal s VAL 123 Cb -0.15 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 4gal s VAL 123 CO 0.02 0.44 0.15 0.61 0.00 0.00 0.00 175.10 176.32 4gal n GLY 124 N 4.64 3.13 3.37 4.51 0.00 -0.44 -1.01 105.19 119.40 4gal n GLY 124 Ca -0.17 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.27 4gal n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4gal n GLY 125 N -0.22 -1.28 3.55 -0.02 0.00 -1.26 -1.37 105.19 104.59 4gal n GLY 125 Ca 0.01 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 4gal n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 4gal s ASP 126 N -4.00 6.88 -0.08 1.61 1.01 0.24 -4.91 116.67 117.42 4gal s ASP 126 Ca 0.00 -2.54 -0.20 0.00 0.71 0.00 0.00 52.55 50.52 4gal s ASP 126 Cb 0.00 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.44 4gal s ASP 126 CO 0.00 -1.07 0.47 0.54 0.21 0.00 0.00 175.17 175.32 4gal s VAL 127 N 3.54 0.02 -0.50 -1.27 0.11 -1.26 -4.36 120.40 116.68 4gal s VAL 127 Ca 0.50 -0.19 -0.14 0.00 -2.93 0.00 0.00 61.98 59.22 4gal s VAL 127 Cb 0.02 -0.74 0.11 0.00 -1.53 0.00 0.00 36.38 34.24 4gal s VAL 127 CO 0.05 -0.10 0.43 -1.10 -3.33 0.00 0.00 175.10 171.05 4gal s GLN 128 N -0.76 2.88 -0.00 1.54 -1.52 -0.43 -4.96 119.66 116.41 4gal s GLN 128 Ca -0.08 -1.62 -0.30 0.00 -1.95 0.00 0.00 55.36 51.41 4gal s GLN 128 Cb -0.03 -4.17 -0.04 0.00 -0.22 0.00 0.00 33.01 28.55 4gal s GLN 128 CO 0.05 -1.21 1.09 -1.17 -0.25 0.00 0.00 175.29 173.79 4gal s LEU 129 N 1.56 4.34 -0.23 2.90 2.96 -1.26 -1.30 118.68 127.65 4gal s LEU 129 Ca 0.04 1.78 -0.11 0.00 -0.22 0.00 0.00 54.13 55.62 4gal s LEU 129 Cb -0.28 -3.57 -0.17 0.00 0.50 0.00 0.00 46.19 42.67 4gal s LEU 129 CO 0.03 -0.40 -0.06 -0.67 -1.32 0.00 0.00 176.35 173.93 4gal n ASP 130 N 4.23 1.97 -3.57 3.68 2.03 -0.03 -4.96 116.55 119.90 4gal n ASP 130 Ca 0.08 0.24 -0.10 0.00 0.52 0.00 0.00 54.79 55.53 4gal n ASP 130 Cb 0.48 -0.78 -0.05 0.00 -0.72 0.00 0.00 41.12 40.05 4gal n ASP 130 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 4gal s SER 131 N -7.05 -0.37 -0.11 1.67 1.04 -1.03 -5.01 113.70 102.84 4gal s SER 131 Ca -0.33 0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.49 4gal s SER 131 Cb 0.10 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.55 4gal s SER 131 CO 0.59 -0.36 -0.13 -0.69 0.98 0.00 0.00 173.24 173.62 4gal s VAL 132 N -1.25 1.38 -0.03 5.02 1.01 -1.26 -1.72 120.40 123.56 4gal s VAL 132 Ca -0.01 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.46 4gal s VAL 132 Cb -0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 4gal s VAL 132 CO 0.01 0.42 -0.17 -0.13 0.00 0.00 0.00 175.10 175.23 4gal s ARG 133 N 1.20 1.54 -0.17 2.72 1.81 -0.68 -4.98 118.95 120.38 4gal s ARG 133 Ca -0.03 -0.60 -0.02 0.00 -1.72 0.00 0.00 55.73 53.36 4gal s ARG 133 Cb -0.14 -1.42 -0.01 0.00 -0.45 0.00 0.00 34.95 32.93 4gal s ARG 133 CO -0.04 0.31 -0.09 0.42 -0.68 0.00 0.00 175.30 175.21 4gal s ILE 134 N -0.19 3.19 -0.56 1.52 1.01 -1.26 -0.29 121.20 124.62 4gal s ILE 134 Ca 0.02 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.13 4gal s ILE 134 Cb -0.09 -2.39 0.04 0.00 0.01 0.00 0.00 42.46 40.03 4gal s ILE 134 CO 0.01 0.48 0.64 0.49 0.00 0.00 0.00 174.94 176.56