#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gal s PRO 4 N 0.00 3.28 0.09 1.45 0.05 -1.26 -4.64 135.00 133.97 2gal s PRO 4 Ca 0.00 -0.15 -0.19 0.00 0.05 0.00 0.00 61.00 60.71 2gal s PRO 4 Cb 0.00 -4.13 -0.07 0.00 0.05 0.00 0.00 34.50 30.35 2gal s PRO 4 CO 0.00 -1.95 0.58 -1.58 0.05 0.00 0.00 177.00 174.10 2gal s HIS 5 N 5.26 3.78 -0.03 0.56 2.46 -0.26 -4.94 115.29 122.13 2gal s HIS 5 Ca 0.36 1.26 0.00 0.00 0.47 0.00 0.00 55.06 57.14 2gal s HIS 5 Cb -0.09 -2.49 0.03 0.00 -0.13 0.00 0.00 32.58 29.90 2gal s HIS 5 CO 0.18 0.56 0.02 0.15 -2.47 0.00 0.00 174.74 173.17 2gal s LYS 6 N -1.26 0.10 -0.16 2.88 1.02 -1.26 -0.79 119.74 120.29 2gal s LYS 6 Ca 0.31 0.15 0.01 0.00 0.02 0.00 0.00 55.97 56.46 2gal s LYS 6 Cb -0.19 -0.37 0.02 0.00 -0.52 0.00 0.00 37.83 36.77 2gal s LYS 6 CO 0.19 -0.17 -0.17 -1.12 -0.92 0.00 0.00 175.35 173.16 2gal s SER 7 N 1.13 2.88 0.10 2.83 0.01 0.46 -4.98 113.70 116.13 2gal s SER 7 Ca -0.08 -0.56 -0.28 0.00 1.31 0.00 0.00 55.95 56.34 2gal s SER 7 Cb -0.13 -1.32 -0.06 0.00 0.21 0.00 0.00 66.02 64.72 2gal s SER 7 CO -0.03 -0.02 0.87 -0.55 0.41 0.00 0.00 173.24 173.93 2gal s SER 8 N 1.31 7.39 -0.56 2.44 0.15 -1.26 -1.45 113.70 121.72 2gal s SER 8 Ca 0.03 1.66 0.04 0.00 0.70 0.00 0.00 55.95 58.39 2gal s SER 8 Cb -0.13 -2.54 0.16 0.00 -1.71 0.00 0.00 66.02 61.80 2gal s SER 8 CO -0.10 -0.00 0.39 -0.76 1.20 0.00 0.00 173.24 173.97 2gal s LEU 9 N -0.17 3.39 0.14 3.45 1.43 0.69 -4.98 118.68 122.63 2gal s LEU 9 Ca 0.43 -3.36 -0.22 0.00 -1.03 0.00 0.00 54.13 49.95 2gal s LEU 9 Cb -0.22 -1.17 0.01 0.00 0.03 0.00 0.00 46.19 44.83 2gal s LEU 9 CO 0.27 -0.15 1.65 -0.65 0.23 0.00 0.00 176.35 177.70 2gal h PRO 10 N 5.76 -0.20 0.00 1.29 0.11 -1.92 -1.89 132.00 135.15 2gal h PRO 10 Ca 0.14 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2gal h PRO 10 Cb 0.84 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2gal h PRO 10 CO 0.57 -0.14 0.00 0.39 -0.21 0.00 0.00 178.00 178.61 2gal n GLU 11 N -5.33 0.98 0.00 1.05 4.71 -1.26 -4.99 120.64 115.80 2gal n GLU 11 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 2gal n GLU 11 Cb 0.25 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.38 2gal n GLU 11 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2gal n GLY 12 N 0.76 -1.36 3.30 0.62 0.00 -0.71 -4.94 105.19 102.87 2gal n GLY 12 Ca 0.14 -1.23 -0.16 0.00 0.00 0.00 0.00 46.02 44.77 2gal n GLY 12 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2gal s ILE 13 N 0.00 1.24 0.27 -0.61 -4.36 -1.26 -4.99 121.20 111.49 2gal s ILE 13 Ca 0.00 -2.08 0.02 0.00 -0.26 0.00 0.00 60.65 58.33 2gal s ILE 13 Cb 0.00 -2.09 -0.05 0.00 1.25 0.00 0.00 42.46 41.58 2gal s ILE 13 CO 0.00 -0.55 0.12 -0.13 0.24 0.00 0.00 174.94 174.62 2gal s ARG 14 N -3.77 1.45 0.19 0.37 0.52 -1.26 -4.43 118.95 112.02 2gal s ARG 14 Ca 0.22 -1.80 -0.32 0.00 -0.52 0.00 0.00 55.73 53.31 2gal s ARG 14 Cb 0.03 -0.16 -0.12 0.00 0.52 0.00 0.00 34.95 35.22 2gal s ARG 14 CO 0.05 -0.35 1.70 -2.30 0.02 0.00 0.00 175.30 174.41 2gal n PRO 15 N -0.48 2.63 0.00 3.54 -0.02 -1.26 -1.50 135.00 137.90 2gal n PRO 15 Ca 0.00 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2gal n PRO 15 Cb 0.66 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 2gal n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gal n GLY 16 N 3.85 0.78 3.75 -1.23 0.00 0.41 -4.96 105.19 107.80 2gal n GLY 16 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2gal n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gal s THR 17 N -2.00 4.54 -0.11 2.61 2.01 -0.56 -4.92 115.64 117.21 2gal s THR 17 Ca 0.00 1.78 0.02 0.00 0.31 0.00 0.00 61.69 63.80 2gal s THR 17 Cb 0.00 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.34 2gal s THR 17 CO 0.00 0.40 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.48 2gal s VAL 18 N -0.39 1.60 -0.24 3.82 1.01 0.32 -1.09 120.40 125.43 2gal s VAL 18 Ca 0.40 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 2gal s VAL 18 Cb -0.22 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 2gal s VAL 18 CO 0.26 0.46 0.10 -0.76 0.00 0.00 0.00 175.10 175.16 2gal s LEU 19 N 0.88 3.71 -0.17 3.92 1.43 0.04 -0.39 118.68 128.10 2gal s LEU 19 Ca -0.08 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 2gal s LEU 19 Cb -0.15 -1.99 -0.00 0.00 0.03 0.00 0.00 46.19 44.07 2gal s LEU 19 CO -0.00 0.02 -0.12 -0.60 0.23 0.00 0.00 176.35 175.88 2gal s ARG 20 N 1.29 3.29 -0.10 1.70 3.52 0.69 -0.59 118.95 128.75 2gal s ARG 20 Ca 0.06 -0.70 0.03 0.00 -0.13 0.00 0.00 55.73 54.98 2gal s ARG 20 Cb -0.15 -2.74 0.01 0.00 -1.56 0.00 0.00 34.95 30.51 2gal s ARG 20 CO 0.05 -0.03 -0.19 0.42 -0.81 0.00 0.00 175.30 174.74 2gal s ILE 21 N 0.96 1.71 0.05 4.11 1.01 0.62 -1.28 121.20 128.38 2gal s ILE 21 Ca -0.02 -0.80 0.08 0.00 0.00 0.00 0.00 60.65 59.91 2gal s ILE 21 Cb -0.15 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 2gal s ILE 21 CO -0.01 0.48 -0.21 -0.13 0.00 0.00 0.00 174.94 175.07 2gal s ARG 22 N 0.59 1.40 0.00 2.79 0.52 -0.03 -0.44 118.95 123.78 2gal s ARG 22 Ca -0.14 -0.99 0.00 0.00 -0.52 0.00 0.00 55.73 54.08 2gal s ARG 22 Cb -0.17 -1.54 0.00 0.00 0.52 0.00 0.00 34.95 33.76 2gal s ARG 22 CO 0.05 0.39 0.00 0.41 0.02 0.00 0.00 175.30 176.17 2gal n GLY 23 N 1.75 0.44 3.13 -3.53 0.00 -1.06 -0.67 105.19 105.24 2gal n GLY 23 Ca -0.17 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 2gal n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2gal s LEU 24 N 0.00 1.97 -0.39 0.99 2.96 0.59 -1.19 118.68 123.61 2gal s LEU 24 Ca 0.00 -0.30 -0.21 0.00 -0.22 0.00 0.00 54.13 53.40 2gal s LEU 24 Cb 0.00 -0.85 0.01 0.00 0.50 0.00 0.00 46.19 45.85 2gal s LEU 24 CO 0.00 0.17 0.67 -0.69 -1.32 0.00 0.00 176.35 175.18 2gal s VAL 25 N -0.19 4.83 0.89 1.68 1.01 -1.05 -0.66 120.40 126.90 2gal s VAL 25 Ca 0.02 0.47 -0.11 0.00 0.00 0.00 0.00 61.98 62.36 2gal s VAL 25 Cb -0.08 -4.15 0.12 0.00 0.00 0.00 0.00 36.38 32.27 2gal s VAL 25 CO 0.00 -0.45 1.09 -2.16 0.00 0.00 0.00 175.10 173.59 2gal s PRO 26 N 2.84 1.32 0.47 2.72 0.04 -1.26 -0.29 135.00 140.84 2gal s PRO 26 Ca 0.25 0.87 -0.24 0.00 0.04 0.00 0.00 61.00 61.93 2gal s PRO 26 Cb -0.14 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 2gal s PRO 26 CO 0.17 -2.21 1.31 -1.25 0.04 0.00 0.00 177.00 175.06 2gal s PRO 27 N -4.92 3.61 -1.10 0.56 0.04 -1.26 -2.41 135.00 129.53 2gal s PRO 27 Ca 0.63 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.82 2gal s PRO 27 Cb -0.18 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.85 2gal s PRO 27 CO 0.57 -0.78 0.00 0.09 0.04 0.00 0.00 177.00 176.92 2gal n ASN 28 N -0.42 -4.46 -4.77 6.66 3.02 -1.26 -4.97 115.26 109.06 2gal n ASN 28 Ca 0.07 0.26 -0.38 0.00 -0.03 0.00 0.00 54.58 54.49 2gal n ASN 28 Cb 0.45 -2.87 -0.03 0.00 -0.61 0.00 0.00 39.78 36.71 2gal n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gal s ALA 29 N -2.31 3.19 -0.28 5.41 0.00 -1.01 -4.96 121.76 121.80 2gal s ALA 29 Ca 0.00 0.85 -0.12 0.00 0.00 0.00 0.00 51.96 52.69 2gal s ALA 29 Cb 0.00 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.67 2gal s ALA 29 CO 0.00 -0.33 -0.35 -1.13 0.00 0.00 0.00 175.76 173.96 2gal n SER 30 N 0.29 1.95 -3.55 0.00 3.41 -1.26 -4.51 113.62 109.95 2gal n SER 30 Ca 0.03 0.29 -0.07 0.00 -0.26 0.00 0.00 58.87 58.86 2gal n SER 30 Cb 0.47 -0.77 -0.02 0.00 -0.26 0.00 0.00 64.21 63.63 2gal n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gal s ARG 31 N -2.51 0.74 0.31 4.33 1.70 -1.26 -0.11 118.95 122.15 2gal s ARG 31 Ca -0.38 -0.30 -0.01 0.00 -0.47 0.00 0.00 55.73 54.57 2gal s ARG 31 Cb 0.14 0.33 -0.01 0.00 -0.57 0.00 0.00 34.95 34.84 2gal s ARG 31 CO 0.50 -0.33 0.38 -0.59 -1.08 0.00 0.00 175.30 174.18 2gal s PHE 32 N -2.98 1.16 0.10 5.89 -0.71 -0.98 -0.97 117.98 119.50 2gal s PHE 32 Ca 0.07 -1.33 -0.13 0.00 -1.04 0.00 0.00 56.93 54.49 2gal s PHE 32 Cb -0.01 -0.27 0.02 0.00 -1.21 0.00 0.00 43.02 41.55 2gal s PHE 32 CO -0.07 -0.98 0.32 -3.38 -1.34 0.00 0.00 175.22 169.76 2gal s HIS 33 N -3.42 -0.07 -0.13 3.49 -3.43 -0.62 -2.89 115.29 108.23 2gal s HIS 33 Ca 0.33 -0.27 -0.01 0.00 -0.80 0.00 0.00 55.06 54.32 2gal s HIS 33 Cb 0.01 0.13 0.03 0.00 -1.43 0.00 0.00 32.58 31.32 2gal s HIS 33 CO 0.19 -0.62 -0.06 0.08 -2.00 0.00 0.00 174.74 172.33 2gal s VAL 34 N -3.68 0.98 -0.09 -5.38 1.01 -0.32 -1.67 120.40 111.26 2gal s VAL 34 Ca 0.03 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2gal s VAL 34 Cb 0.03 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 2gal s VAL 34 CO -0.11 0.26 -0.12 0.20 0.00 0.00 0.00 175.10 175.33 2gal s ASN 35 N 1.71 4.16 -0.42 3.32 0.01 0.24 -1.11 114.94 122.85 2gal s ASN 35 Ca 0.03 -0.22 -0.07 0.00 -0.71 0.00 0.00 52.86 51.90 2gal s ASN 35 Cb -0.14 -1.24 0.09 0.00 0.41 0.00 0.00 41.25 40.37 2gal s ASN 35 CO -0.08 0.27 0.25 -0.76 -1.51 0.00 0.00 177.10 175.27 2gal s LEU 36 N -0.26 5.19 0.17 0.60 1.43 0.34 -1.25 118.68 124.91 2gal s LEU 36 Ca 0.02 -1.68 0.03 0.00 -1.03 0.00 0.00 54.13 51.47 2gal s LEU 36 Cb -0.13 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 2gal s LEU 36 CO 0.03 -0.55 0.29 -0.76 0.23 0.00 0.00 176.35 175.58 2gal s LEU 37 N 1.34 4.29 -0.02 1.79 1.43 0.26 -0.50 118.68 127.28 2gal s LEU 37 Ca 0.04 0.13 0.17 0.00 -1.03 0.00 0.00 54.13 53.43 2gal s LEU 37 Cb -0.23 -2.86 0.51 0.00 0.03 0.00 0.00 46.19 43.64 2gal s LEU 37 CO -0.00 0.03 1.42 0.00 0.23 0.00 0.00 176.35 178.03 2gal s GLY 39 N -0.96 -0.17 0.00 0.00 0.00 -1.26 -4.57 107.32 100.37 2gal s GLY 39 Ca 0.38 0.15 0.23 0.00 0.00 0.00 0.00 44.72 45.48 2gal s GLY 39 CO 0.24 2.14 1.17 1.18 0.00 0.00 0.00 173.10 177.83 2gal n GLU 40 N -0.65 1.78 -2.91 2.90 1.02 -1.26 -4.70 120.64 116.82 2gal n GLU 40 Ca -0.04 -1.47 -0.22 0.00 -0.02 0.00 0.00 57.16 55.42 2gal n GLU 40 Cb 0.60 -1.46 0.02 0.00 -0.02 0.00 0.00 31.44 30.58 2gal n GLU 40 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2gal s GLU 41 N -2.21 2.87 0.33 3.49 1.03 -1.26 -5.05 118.70 117.91 2gal s GLU 41 Ca 0.23 -0.68 -0.29 0.00 0.03 0.00 0.00 54.97 54.27 2gal s GLU 41 Cb 0.19 -2.57 -0.10 0.00 -0.80 0.00 0.00 34.13 30.85 2gal s GLU 41 CO 0.43 -0.40 1.33 -1.14 -1.33 0.00 0.00 175.26 174.15 2gal s GLN 42 N -4.58 4.32 -0.01 -4.83 0.74 -1.26 -2.70 119.66 111.34 2gal s GLN 42 Ca 0.52 2.26 0.00 0.00 0.05 0.00 0.00 55.36 58.19 2gal s GLN 42 Cb -0.10 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 30.95 2gal s GLN 42 CO 0.37 -0.24 0.00 0.41 -0.55 0.00 0.00 175.29 175.28 2gal n GLY 43 N 0.83 0.48 3.76 2.59 0.00 -1.26 -5.02 105.19 106.57 2gal n GLY 43 Ca 0.00 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 2gal n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gal s SER 44 N -2.08 5.50 0.63 1.61 0.01 -1.10 -4.55 113.70 113.73 2gal s SER 44 Ca 0.00 2.52 -0.18 0.00 1.31 0.00 0.00 55.95 59.60 2gal s SER 44 Cb 0.00 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 2gal s SER 44 CO 0.00 -1.39 1.22 0.47 0.41 0.00 0.00 173.24 173.95 2gal n ASP 45 N -1.03 1.81 -4.12 2.44 9.92 -1.26 -4.76 116.55 119.55 2gal n ASP 45 Ca 0.10 0.84 -0.33 0.00 -0.53 0.00 0.00 54.79 54.87 2gal n ASP 45 Cb 0.47 -1.52 -0.15 0.00 -0.64 0.00 0.00 41.12 39.28 2gal n ASP 45 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2gal s ALA 46 N -1.41 2.48 0.27 2.24 0.00 0.30 -0.94 121.76 124.70 2gal s ALA 46 Ca 0.80 -1.45 0.10 0.00 0.00 0.00 0.00 51.96 51.42 2gal s ALA 46 Cb -0.39 -1.41 0.33 0.00 0.00 0.00 0.00 23.12 21.65 2gal s ALA 46 CO 0.43 -0.72 1.60 0.00 0.00 0.00 0.00 175.76 177.07 2gal h ALA 47 N 7.90 0.95 -2.59 0.00 0.00 -1.07 -1.34 119.26 123.11 2gal h ALA 47 Ca -0.35 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 53.89 2gal h ALA 47 Cb 1.10 -0.10 -0.26 0.00 0.00 0.00 0.00 17.79 18.53 2gal h ALA 47 CO 0.57 0.78 -0.27 -1.17 0.00 0.00 0.00 179.25 179.16 2gal s LEU 48 N -7.60 -0.17 -0.21 0.00 2.96 -1.18 -4.69 118.68 107.80 2gal s LEU 48 Ca -0.01 0.95 0.01 0.00 -0.22 0.00 0.00 54.13 54.86 2gal s LEU 48 Cb 0.13 1.44 0.04 0.00 0.50 0.00 0.00 46.19 48.29 2gal s LEU 48 CO 0.77 -0.20 -0.13 -2.28 -1.32 0.00 0.00 176.35 173.19 2gal s HIS 49 N 1.42 2.70 -0.31 5.38 5.65 0.41 -0.50 115.29 130.03 2gal s HIS 49 Ca -0.10 -1.76 -0.03 0.00 0.25 0.00 0.00 55.06 53.43 2gal s HIS 49 Cb -0.08 -1.78 0.05 0.00 -1.18 0.00 0.00 32.58 29.59 2gal s HIS 49 CO -0.13 -0.79 0.02 0.12 -0.65 0.00 0.00 174.74 173.31 2gal s PHE 50 N 1.30 3.27 -0.58 3.88 5.36 -0.27 -1.58 117.98 129.36 2gal s PHE 50 Ca -0.01 -1.81 0.04 0.00 -0.96 0.00 0.00 56.93 54.19 2gal s PHE 50 Cb -0.16 -2.16 0.16 0.00 -0.34 0.00 0.00 43.02 40.51 2gal s PHE 50 CO -0.09 -0.80 0.38 1.21 -1.46 0.00 0.00 175.22 174.47 2gal s ASN 51 N 1.29 4.01 0.13 6.13 3.04 0.13 -1.17 114.94 128.51 2gal s ASN 51 Ca -0.04 -3.36 -0.31 0.00 0.04 0.00 0.00 52.86 49.19 2gal s ASN 51 Cb -0.20 -1.35 -0.09 0.00 -1.54 0.00 0.00 41.25 38.08 2gal s ASN 51 CO -0.01 -0.16 1.45 -2.84 -3.04 0.00 0.00 177.10 172.51 2gal s PRO 52 N -0.69 4.28 -0.33 0.43 0.02 -1.14 -2.34 135.00 135.23 2gal s PRO 52 Ca 0.23 2.17 0.01 0.00 0.02 0.00 0.00 61.00 63.43 2gal s PRO 52 Cb -0.11 -3.22 0.08 0.00 0.02 0.00 0.00 34.50 31.27 2gal s PRO 52 CO -0.11 -0.50 0.05 1.03 -0.33 0.00 0.00 177.00 177.14 2gal s ARG 53 N 1.15 1.99 0.25 5.54 0.52 0.43 -2.31 118.95 126.52 2gal s ARG 53 Ca 0.66 -1.62 0.08 0.00 -0.52 0.00 0.00 55.73 54.34 2gal s ARG 53 Cb -0.39 -3.24 0.28 0.00 0.52 0.00 0.00 34.95 32.12 2gal s ARG 53 CO 0.30 -0.83 1.57 -0.07 0.02 0.00 0.00 175.30 176.30 2gal h LEU 54 N 7.85 0.08 -1.18 2.53 -0.00 -0.78 -0.37 115.31 123.43 2gal h LEU 54 Ca -0.13 -0.05 -0.04 0.00 -0.00 0.00 0.00 57.88 57.66 2gal h LEU 54 Cb 1.04 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.67 2gal h LEU 54 CO 0.56 0.70 -0.20 -2.24 -0.00 0.00 0.00 178.44 177.27 2gal h ASP 55 N 0.05 0.00 -0.02 -0.43 3.04 -1.48 -3.15 116.42 114.42 2gal h ASP 55 Ca -0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 2gal h ASP 55 Cb 1.15 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.44 2gal h ASP 55 CO 0.09 0.20 0.00 0.35 -2.04 0.00 0.00 179.24 177.84 2gal n THR 56 N -3.37 0.33 -3.53 1.15 -2.24 -1.20 -5.03 114.28 100.38 2gal n THR 56 Ca 0.00 -0.66 -0.20 0.00 -2.27 0.00 0.00 64.05 60.92 2gal n THR 56 Cb 0.41 0.87 0.06 0.00 -2.10 0.00 0.00 70.33 69.56 2gal n THR 56 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2gal n SER 57 N -0.02 -3.16 -3.54 3.42 7.64 -0.20 -5.02 113.62 112.73 2gal n SER 57 Ca 0.02 -0.77 -0.11 0.00 1.01 0.00 0.00 58.87 59.02 2gal n SER 57 Cb 0.13 -4.49 -0.02 0.00 -1.01 0.00 0.00 64.21 58.82 2gal n SER 57 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2gal s GLU 58 N -5.47 1.40 -0.12 1.43 -1.05 -0.89 -4.12 118.70 109.88 2gal s GLU 58 Ca 0.17 -0.62 0.02 0.00 -0.15 0.00 0.00 54.97 54.39 2gal s GLU 58 Cb -0.04 0.59 -0.00 0.00 -0.44 0.00 0.00 34.13 34.24 2gal s GLU 58 CO 0.78 -0.62 -0.18 0.08 0.95 0.00 0.00 175.26 176.27 2gal s VAL 59 N -3.80 2.51 -0.10 1.83 1.01 -1.26 -0.42 120.40 120.17 2gal s VAL 59 Ca 0.04 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 2gal s VAL 59 Cb -0.02 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 2gal s VAL 59 CO -0.08 0.54 -0.09 -0.69 0.00 0.00 0.00 175.10 174.78 2gal s VAL 60 N 0.49 3.46 -0.05 2.92 1.01 -0.99 -2.27 120.40 124.97 2gal s VAL 60 Ca -0.12 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.37 2gal s VAL 60 Cb -0.17 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 2gal s VAL 60 CO 0.05 0.55 -0.21 -0.36 0.00 0.00 0.00 175.10 175.14 2gal s PHE 61 N -0.18 2.53 0.34 5.22 0.40 0.17 -0.69 117.98 125.77 2gal s PHE 61 Ca 0.01 -0.44 -0.18 0.00 -0.60 0.00 0.00 56.93 55.73 2gal s PHE 61 Cb -0.13 -1.60 0.04 0.00 0.51 0.00 0.00 43.02 41.84 2gal s PHE 61 CO 0.03 -0.03 0.76 1.21 0.70 0.00 0.00 175.22 177.89 2gal s ASN 62 N -0.44 -0.09 0.17 1.36 3.84 -0.62 -0.60 114.94 118.57 2gal s ASN 62 Ca 0.05 -0.94 0.04 0.00 0.21 0.00 0.00 52.86 52.21 2gal s ASN 62 Cb -0.12 0.80 -0.05 0.00 -0.55 0.00 0.00 41.25 41.34 2gal s ASN 62 CO 0.01 -1.55 -0.06 -0.94 -2.79 0.00 0.00 177.10 171.78 2gal s SER 63 N -3.01 1.69 -0.05 -4.21 1.04 -1.26 -0.45 113.70 107.45 2gal s SER 63 Ca 0.14 -1.09 -0.00 0.00 0.48 0.00 0.00 55.95 55.47 2gal s SER 63 Cb -0.05 0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.11 2gal s SER 63 CO 0.10 -0.42 0.00 -0.75 0.98 0.00 0.00 173.24 173.15 2gal s LYS 64 N -3.81 0.43 -0.05 4.02 2.20 -0.50 -1.65 119.74 120.38 2gal s LYS 64 Ca 0.21 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 2gal s LYS 64 Cb 0.04 -0.69 0.02 0.00 -1.51 0.00 0.00 37.83 35.69 2gal s LYS 64 CO 0.03 -0.20 -0.02 -2.00 -0.36 0.00 0.00 175.35 172.80 2gal s GLU 65 N 1.43 0.63 -1.52 4.03 2.12 -0.33 -0.54 118.70 124.52 2gal s GLU 65 Ca -0.04 0.01 -0.03 0.00 0.36 0.00 0.00 54.97 55.27 2gal s GLU 65 Cb -0.13 -0.80 0.00 0.00 0.26 0.00 0.00 34.13 33.47 2gal s GLU 65 CO -0.03 -0.17 0.38 1.04 -0.54 0.00 0.00 175.26 175.94 2gal n GLN 66 N 4.44 -3.56 -0.98 4.30 3.00 -1.26 -1.50 117.38 121.82 2gal n GLN 66 Ca -0.19 0.88 0.00 0.00 -0.01 0.00 0.00 57.00 57.68 2gal n GLN 66 Cb 0.50 -5.55 0.00 0.00 0.00 0.00 0.00 30.24 25.19 2gal n GLN 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2gal n GLY 67 N -1.32 0.69 3.16 1.08 0.00 -1.26 -5.02 105.19 102.52 2gal n GLY 67 Ca -0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 2gal n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gal s SER 68 N -2.47 2.24 0.50 1.61 1.04 -0.56 -5.13 113.70 110.92 2gal s SER 68 Ca 0.00 -0.36 -0.20 0.00 0.48 0.00 0.00 55.95 55.87 2gal s SER 68 Cb 0.00 -0.53 -0.08 0.00 0.10 0.00 0.00 66.02 65.51 2gal s SER 68 CO 0.00 0.18 1.06 0.26 0.98 0.00 0.00 173.24 175.72 2gal s TRP 69 N -0.09 2.91 0.00 5.02 0.52 -1.26 -1.18 118.94 124.85 2gal s TRP 69 Ca -0.01 1.57 0.00 0.00 0.02 0.00 0.00 56.10 57.68 2gal s TRP 69 Cb -0.11 -3.13 0.00 0.00 -1.15 0.00 0.00 33.47 29.08 2gal s TRP 69 CO 0.02 -1.03 0.00 0.41 0.02 0.00 0.00 176.95 176.36 2gal n GLY 70 N -0.12 0.71 3.72 0.98 0.00 -0.66 -4.94 105.19 104.88 2gal n GLY 70 Ca 0.10 -1.87 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 2gal n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2gal s ARG 71 N 1.10 4.45 0.51 1.61 3.52 -1.26 -4.86 118.95 124.01 2gal s ARG 71 Ca 0.00 0.92 -0.21 0.00 -0.13 0.00 0.00 55.73 56.31 2gal s ARG 71 Cb 0.00 -3.45 -0.06 0.00 -1.56 0.00 0.00 34.95 29.88 2gal s ARG 71 CO 0.00 0.05 1.19 -1.21 -0.81 0.00 0.00 175.30 174.52 2gal s GLU 72 N 0.83 3.49 0.13 5.12 2.02 -1.26 -4.80 118.70 124.23 2gal s GLU 72 Ca 0.39 1.81 0.10 0.00 0.02 0.00 0.00 54.97 57.28 2gal s GLU 72 Cb -0.18 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 31.77 2gal s GLU 72 CO 0.19 -0.78 -0.21 -1.21 0.02 0.00 0.00 175.26 173.26 2gal s GLU 73 N -2.93 1.63 0.03 1.61 2.02 0.23 -4.96 118.70 116.33 2gal s GLU 73 Ca 0.68 -1.28 0.05 0.00 0.02 0.00 0.00 54.97 54.44 2gal s GLU 73 Cb -0.29 -2.01 -0.02 0.00 0.10 0.00 0.00 34.13 31.91 2gal s GLU 73 CO 0.35 0.46 -0.16 1.03 0.02 0.00 0.00 175.26 176.96 2gal s ARG 74 N -2.21 1.09 0.58 1.61 0.52 -1.26 -0.65 118.95 118.63 2gal s ARG 74 Ca 0.17 -0.76 0.03 0.00 -0.52 0.00 0.00 55.73 54.65 2gal s ARG 74 Cb -0.10 -1.12 0.07 0.00 0.52 0.00 0.00 34.95 34.32 2gal s ARG 74 CO 0.09 0.28 0.81 0.20 0.02 0.00 0.00 175.30 176.70 2gal s GLY 75 N -1.01 1.81 -1.01 -3.53 0.00 -0.96 -5.00 107.32 97.63 2gal s GLY 75 Ca 0.04 -1.66 -0.23 0.00 0.00 0.00 0.00 44.72 42.87 2gal s GLY 75 CO 0.01 -1.27 1.65 2.56 0.00 0.00 0.00 173.10 176.05 2gal s PRO 76 N -4.78 3.24 0.16 2.90 0.04 -1.26 -4.60 135.00 130.69 2gal s PRO 76 Ca 0.60 -0.91 0.00 0.00 0.04 0.00 0.00 61.00 60.73 2gal s PRO 76 Cb -0.08 -5.27 0.00 0.00 0.04 0.00 0.00 34.50 29.19 2gal s PRO 76 CO 0.39 -2.66 0.00 0.41 0.04 0.00 0.00 177.00 175.18 2gal n GLY 77 N 6.73 -1.95 3.58 0.56 0.00 -1.26 -4.81 105.19 108.05 2gal n GLY 77 Ca 0.37 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 2gal n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gal s VAL 78 N -2.10 5.23 -0.29 1.61 0.11 -1.26 -4.33 120.40 119.37 2gal s VAL 78 Ca 0.00 0.29 0.03 0.00 -2.93 0.00 0.00 61.98 59.37 2gal s VAL 78 Cb 0.00 -3.66 0.31 0.00 -1.53 0.00 0.00 36.38 31.50 2gal s VAL 78 CO 0.00 0.13 1.33 -0.81 -3.33 0.00 0.00 175.10 172.43 2gal n PRO 79 N 5.23 1.79 -4.28 1.54 -0.04 -1.26 -4.85 135.00 133.14 2gal n PRO 79 Ca -0.11 -1.34 -0.19 0.00 -0.04 0.00 0.00 63.50 61.82 2gal n PRO 79 Cb 0.51 -1.59 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 2gal n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2gal s PHE 80 N -1.52 1.57 0.00 0.54 0.08 -1.26 -4.97 117.98 112.42 2gal s PHE 80 Ca 0.25 -0.53 0.00 0.00 0.12 0.00 0.00 56.93 56.77 2gal s PHE 80 Cb 0.21 -0.80 -0.00 0.00 -0.57 0.00 0.00 43.02 41.85 2gal s PHE 80 CO 0.05 0.22 -0.02 -0.65 -0.10 0.00 0.00 175.22 174.73 2gal s GLN 81 N -2.80 0.13 0.28 0.44 -0.21 -1.26 -5.04 119.66 111.20 2gal s GLN 81 Ca 0.12 -0.14 -0.29 0.00 0.02 0.00 0.00 55.36 55.07 2gal s GLN 81 Cb -0.05 -0.07 -0.10 0.00 1.00 0.00 0.00 33.01 33.79 2gal s GLN 81 CO 0.04 0.02 1.40 1.03 -2.12 0.00 0.00 175.29 175.66 2gal s ARG 82 N -0.26 4.28 0.00 2.91 0.52 -1.26 -2.16 118.95 122.98 2gal s ARG 82 Ca -0.02 2.29 0.00 0.00 -0.52 0.00 0.00 55.73 57.48 2gal s ARG 82 Cb -0.02 -3.09 0.00 0.00 0.52 0.00 0.00 34.95 32.36 2gal s ARG 82 CO -0.00 -0.36 0.00 0.41 0.02 0.00 0.00 175.30 175.37 2gal n GLY 83 N 1.65 0.69 3.20 -3.53 0.00 0.60 -4.89 105.19 102.91 2gal n GLY 83 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 2gal n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gal s GLN 84 N -0.22 1.29 0.79 1.61 -1.52 -0.92 -4.96 119.66 115.74 2gal s GLN 84 Ca 0.00 -0.82 -0.12 0.00 -1.95 0.00 0.00 55.36 52.47 2gal s GLN 84 Cb 0.00 -1.34 0.07 0.00 -0.22 0.00 0.00 33.01 31.51 2gal s GLN 84 CO 0.00 0.35 1.13 -1.25 -0.25 0.00 0.00 175.29 175.27 2gal s PRO 85 N -0.97 2.11 0.20 2.91 0.04 -1.26 -2.53 135.00 135.50 2gal s PRO 85 Ca 0.06 0.33 -0.14 0.00 0.04 0.00 0.00 61.00 61.29 2gal s PRO 85 Cb -0.08 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.52 2gal s PRO 85 CO 0.01 -1.53 0.45 -0.59 0.04 0.00 0.00 177.00 175.38 2gal s PHE 86 N -3.39 0.13 -0.05 0.56 -0.12 -0.33 -4.92 117.98 109.85 2gal s PHE 86 Ca 0.61 -0.49 -0.02 0.00 -0.05 0.00 0.00 56.93 56.98 2gal s PHE 86 Cb -0.12 0.23 0.04 0.00 -0.63 0.00 0.00 43.02 42.53 2gal s PHE 86 CO 0.51 -0.89 0.09 -2.00 -0.05 0.00 0.00 175.22 172.89 2gal s GLU 87 N -3.93 -0.04 -0.08 1.99 2.12 -1.26 -2.58 118.70 114.92 2gal s GLU 87 Ca 0.14 0.43 0.03 0.00 0.36 0.00 0.00 54.97 55.94 2gal s GLU 87 Cb 0.00 -0.42 -0.02 0.00 0.26 0.00 0.00 34.13 33.96 2gal s GLU 87 CO 0.01 -0.31 -0.17 0.08 -0.54 0.00 0.00 175.26 174.33 2gal s VAL 88 N 2.15 2.77 -0.18 3.70 1.01 0.42 -1.50 120.40 128.77 2gal s VAL 88 Ca 0.04 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 2gal s VAL 88 Cb -0.12 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.17 2gal s VAL 88 CO -0.04 0.56 -0.14 -0.76 0.00 0.00 0.00 175.10 174.73 2gal s LEU 89 N -0.20 2.49 -0.32 3.92 1.43 -0.01 -0.27 118.68 125.73 2gal s LEU 89 Ca -0.01 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.54 2gal s LEU 89 Cb -0.13 -1.59 0.04 0.00 0.03 0.00 0.00 46.19 44.54 2gal s LEU 89 CO 0.03 0.03 0.06 -0.63 0.23 0.00 0.00 176.35 176.08 2gal s ILE 90 N 1.13 3.54 -0.20 -0.59 1.01 0.24 -0.73 121.20 125.60 2gal s ILE 90 Ca 0.01 -1.12 -0.05 0.00 0.00 0.00 0.00 60.65 59.49 2gal s ILE 90 Cb -0.14 -2.97 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 2gal s ILE 90 CO -0.05 -0.09 -0.00 -0.63 0.00 0.00 0.00 174.94 174.17 2gal s ILE 91 N 1.37 3.94 -0.10 2.92 1.01 0.01 -0.78 121.20 129.58 2gal s ILE 91 Ca -0.02 -0.32 -0.25 0.00 0.00 0.00 0.00 60.65 60.07 2gal s ILE 91 Cb -0.19 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 2gal s ILE 91 CO 0.01 0.43 0.77 0.00 0.00 0.00 0.00 174.94 176.15 2gal s ALA 92 N 0.94 3.38 0.37 9.38 0.00 -0.25 -0.64 121.76 134.94 2gal s ALA 92 Ca 0.01 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.11 2gal s ALA 92 Cb -0.14 -3.08 -0.00 0.00 0.00 0.00 0.00 23.12 19.89 2gal s ALA 92 CO 0.02 -0.31 0.03 0.43 0.00 0.00 0.00 175.76 175.93 2gal n SER 93 N 4.30 2.59 -0.09 0.00 7.64 -0.02 -0.44 113.62 127.59 2gal n SER 93 Ca 0.01 -2.71 -0.09 0.00 1.01 0.00 0.00 58.87 57.09 2gal n SER 93 Cb 0.50 0.41 0.05 0.00 -1.01 0.00 0.00 64.21 64.17 2gal n SER 93 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2gal h ASP 94 N 1.02 0.84 0.04 6.43 3.32 -1.96 -3.31 116.42 122.81 2gal h ASP 94 Ca -0.31 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.41 2gal h ASP 94 Cb 0.97 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2gal h ASP 94 CO 0.50 1.07 -1.18 -0.90 -1.72 0.00 0.00 179.24 177.01 2gal n ASP 95 N -4.09 0.77 0.00 6.45 5.68 -1.26 -4.94 116.55 119.16 2gal n ASP 95 Ca -0.01 -0.74 0.00 0.00 -0.50 0.00 0.00 54.79 53.55 2gal n ASP 95 Cb 0.47 1.15 0.00 0.00 -1.14 0.00 0.00 41.12 41.61 2gal n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2gal n GLY 96 N 1.45 -0.96 3.42 6.12 0.00 -1.25 -1.88 105.19 112.09 2gal n GLY 96 Ca 0.02 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 2gal n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gal s PHE 97 N -3.00 2.94 -0.18 1.61 0.08 0.24 -0.84 117.98 118.84 2gal s PHE 97 Ca 0.00 -0.52 -0.11 0.00 0.12 0.00 0.00 56.93 56.42 2gal s PHE 97 Cb 0.00 -1.94 -0.05 0.00 -0.57 0.00 0.00 43.02 40.46 2gal s PHE 97 CO 0.00 -0.18 0.20 0.15 -0.10 0.00 0.00 175.22 175.29 2gal s LYS 98 N 0.54 4.17 -0.27 0.44 1.02 0.18 -1.11 119.74 124.72 2gal s LYS 98 Ca -0.05 -0.08 -0.08 0.00 0.02 0.00 0.00 55.97 55.78 2gal s LYS 98 Cb -0.15 -3.41 -0.02 0.00 -0.52 0.00 0.00 37.83 33.73 2gal s LYS 98 CO 0.03 0.31 0.09 0.00 -0.92 0.00 0.00 175.35 174.87 2gal s ALA 99 N 0.30 3.20 -0.17 5.17 0.00 0.12 -0.81 121.76 129.58 2gal s ALA 99 Ca 0.12 -1.21 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 2gal s ALA 99 Cb -0.12 -2.17 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 2gal s ALA 99 CO 0.01 -0.62 -0.10 0.08 0.00 0.00 0.00 175.76 175.12 2gal s VAL 100 N 1.61 3.12 -0.18 0.00 1.01 0.09 -0.04 120.40 126.01 2gal s VAL 100 Ca 0.06 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.44 2gal s VAL 100 Cb -0.16 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.89 2gal s VAL 100 CO 0.04 0.49 -0.20 -0.69 0.00 0.00 0.00 175.10 174.75 2gal s VAL 101 N 0.84 2.11 -0.48 2.92 1.01 -0.58 -0.83 120.40 125.39 2gal s VAL 101 Ca -0.03 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 2gal s VAL 101 Cb -0.15 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.37 2gal s VAL 101 CO 0.01 0.54 0.46 0.61 0.00 0.00 0.00 175.10 176.72 2gal n GLY 102 N 4.56 -0.44 2.55 4.51 0.00 -0.56 -2.69 105.19 113.11 2gal n GLY 102 Ca -0.21 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2gal n GLY 102 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gal n ASP 103 N -0.89 0.00 -3.83 1.61 8.00 -1.26 -5.02 116.55 115.15 2gal n ASP 103 Ca -0.16 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.22 2gal n ASP 103 Cb 0.51 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.50 2gal n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gal s ALA 104 N -3.26 -0.39 0.13 2.24 0.00 -1.10 -5.11 121.76 114.27 2gal s ALA 104 Ca 0.00 0.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.91 2gal s ALA 104 Cb 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 23.12 22.89 2gal s ALA 104 CO 0.00 -0.13 1.62 -1.14 0.00 0.00 0.00 175.76 176.11 2gal s GLN 105 N -0.45 4.20 -0.24 0.00 -0.44 -1.26 -1.53 119.66 119.94 2gal s GLN 105 Ca -0.05 2.37 0.01 0.00 -2.50 0.00 0.00 55.36 55.18 2gal s GLN 105 Cb -0.04 -3.34 -0.15 0.00 -1.64 0.00 0.00 33.01 27.85 2gal s GLN 105 CO 0.01 -0.67 -0.22 0.98 0.50 0.00 0.00 175.29 175.89 2gal n TYR 106 N 4.66 0.00 -3.51 1.67 9.36 0.95 -4.89 117.16 125.40 2gal n TYR 106 Ca 0.15 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.25 2gal n TYR 106 Cb 0.39 -0.90 -0.04 0.00 -0.63 0.00 0.00 39.34 38.16 2gal n TYR 106 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2gal s HIS 107 N -2.47 -0.47 -0.15 2.98 5.04 -1.08 -4.60 115.29 114.53 2gal s HIS 107 Ca -0.32 0.59 0.01 0.00 -1.54 0.00 0.00 55.06 53.81 2gal s HIS 107 Cb 0.09 0.48 0.02 0.00 0.04 0.00 0.00 32.58 33.21 2gal s HIS 107 CO 0.53 -0.57 -0.18 -1.58 -2.34 0.00 0.00 174.74 170.60 2gal s HIS 108 N -2.19 2.47 -0.38 3.88 2.46 -1.26 -0.70 115.29 119.57 2gal s HIS 108 Ca -0.02 -1.36 -0.05 0.00 0.47 0.00 0.00 55.06 54.10 2gal s HIS 108 Cb -0.01 -1.74 0.07 0.00 -0.13 0.00 0.00 32.58 30.78 2gal s HIS 108 CO -0.02 -0.68 0.16 0.12 -2.47 0.00 0.00 174.74 171.86 2gal s PHE 109 N 1.19 3.38 0.41 3.88 5.36 -0.26 -4.94 117.98 126.99 2gal s PHE 109 Ca 0.00 -1.83 -0.27 0.00 -0.96 0.00 0.00 56.93 53.88 2gal s PHE 109 Cb -0.14 -2.73 -0.09 0.00 -0.34 0.00 0.00 43.02 39.72 2gal s PHE 109 CO -0.08 -0.85 1.43 0.50 -1.46 0.00 0.00 175.22 174.76 2gal s ARG 110 N 1.31 3.91 0.38 10.12 6.06 -1.26 -0.59 118.95 138.87 2gal s ARG 110 Ca 0.02 2.44 -0.28 0.00 -2.50 0.00 0.00 55.73 55.41 2gal s ARG 110 Cb -0.22 -2.81 -0.11 0.00 0.06 0.00 0.00 34.95 31.88 2gal s ARG 110 CO -0.00 -0.65 1.49 0.72 -2.50 0.00 0.00 175.30 174.36 2gal n HIS 111 N 0.13 2.99 -0.01 5.12 8.25 -0.79 -4.86 115.22 126.05 2gal n HIS 111 Ca 0.03 0.44 -0.02 0.00 -0.26 0.00 0.00 57.72 57.92 2gal n HIS 111 Cb 0.41 -2.53 -0.02 0.00 1.12 0.00 0.00 29.99 28.96 2gal n HIS 111 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2gal n ARG 112 N 0.48 3.10 -4.43 -0.41 1.74 -1.26 -5.03 116.66 110.85 2gal n ARG 112 Ca 0.01 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.85 2gal n ARG 112 Cb 0.39 -1.07 -0.10 0.00 -1.02 0.00 0.00 32.46 30.65 2gal n ARG 112 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2gal s LEU 113 N -4.34 2.66 0.16 0.55 1.43 -1.26 -5.09 118.68 112.79 2gal s LEU 113 Ca -0.02 -0.93 -0.31 0.00 -1.03 0.00 0.00 54.13 51.84 2gal s LEU 113 Cb 0.01 -1.22 -0.10 0.00 0.03 0.00 0.00 46.19 44.92 2gal s LEU 113 CO 0.12 0.05 1.53 -2.16 0.23 0.00 0.00 176.35 176.11 2gal s PRO 114 N -3.36 4.24 0.39 1.29 0.04 -1.26 -4.87 135.00 131.46 2gal s PRO 114 Ca 0.28 2.31 0.14 0.00 0.04 0.00 0.00 61.00 63.77 2gal s PRO 114 Cb -0.06 -3.16 0.97 0.00 0.04 0.00 0.00 34.50 32.29 2gal s PRO 114 CO 0.15 -0.56 1.85 1.25 0.04 0.00 0.00 177.00 179.73 2gal h LEU 115 N 6.63 0.52 -2.66 -3.56 6.46 -1.98 -1.19 115.31 119.53 2gal h LEU 115 Ca -0.43 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.38 2gal h LEU 115 Cb 1.21 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 41.09 2gal h LEU 115 CO 0.89 0.22 -0.01 0.00 -0.62 0.00 0.00 178.44 178.92 2gal h ALA 116 N 1.61 1.11 -0.00 1.25 0.00 -1.90 -2.58 119.26 118.76 2gal h ALA 116 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2gal h ALA 116 Cb 1.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2gal h ALA 116 CO -0.21 0.01 -0.19 0.54 0.00 0.00 0.00 179.25 179.40 2gal n ARG 117 N -3.26 0.50 -2.32 0.00 1.74 -0.45 -4.78 116.66 108.10 2gal n ARG 117 Ca -0.03 -0.21 -0.42 0.00 -0.77 0.00 0.00 57.85 56.42 2gal n ARG 117 Cb 0.11 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 2gal n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2gal s VAL 118 N -2.64 3.92 0.00 1.55 1.01 -0.97 -4.31 120.40 118.96 2gal s VAL 118 Ca 0.23 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.49 2gal s VAL 118 Cb 0.19 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2gal s VAL 118 CO 0.53 0.00 0.01 0.54 0.00 0.00 0.00 175.10 176.18 2gal n ARG 119 N 5.25 4.84 -3.72 2.72 1.74 -0.07 -4.03 116.66 123.38 2gal n ARG 119 Ca 0.12 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 57.05 2gal n ARG 119 Cb 0.45 -0.38 -0.09 0.00 -1.02 0.00 0.00 32.46 31.42 2gal n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2gal s LEU 120 N -1.39 0.47 -0.12 0.55 2.96 -0.68 -0.23 118.68 120.25 2gal s LEU 120 Ca 0.00 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.41 2gal s LEU 120 Cb 0.00 1.51 -0.01 0.00 0.50 0.00 0.00 46.19 48.19 2gal s LEU 120 CO 0.00 -0.34 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.81 2gal s VAL 121 N -0.67 2.52 -0.01 1.68 1.01 -0.53 -0.57 120.40 123.83 2gal s VAL 121 Ca -0.08 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.10 2gal s VAL 121 Cb -0.04 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 2gal s VAL 121 CO 0.03 0.54 -0.15 -0.70 0.00 0.00 0.00 175.10 174.82 2gal s GLU 122 N 0.37 1.28 -0.05 2.72 2.12 -0.38 -0.40 118.70 124.35 2gal s GLU 122 Ca -0.15 -0.55 0.03 0.00 0.36 0.00 0.00 54.97 54.66 2gal s GLU 122 Cb -0.17 -1.23 0.01 0.00 0.26 0.00 0.00 34.13 33.00 2gal s GLU 122 CO 0.07 0.32 -0.13 0.08 -0.54 0.00 0.00 175.26 175.07 2gal s VAL 123 N -0.33 1.14 0.26 3.70 1.01 0.03 -0.59 120.40 125.62 2gal s VAL 123 Ca 0.05 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 2gal s VAL 123 Cb -0.06 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.32 2gal s VAL 123 CO -0.00 0.35 0.44 0.61 0.00 0.00 0.00 175.10 176.49 2gal n GLY 124 N 3.60 1.86 0.76 4.51 0.00 -0.67 -1.10 105.19 114.14 2gal n GLY 124 Ca -0.21 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.45 2gal n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gal n GLY 125 N -0.38 -1.85 3.09 -0.02 0.00 -1.26 -1.58 105.19 103.18 2gal n GLY 125 Ca -0.03 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 2gal n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gal n ASP 126 N 0.02 4.61 -3.80 1.61 8.00 -0.14 -4.75 116.55 122.09 2gal n ASP 126 Ca 0.00 -2.94 -0.12 0.00 0.71 0.00 0.00 54.79 52.44 2gal n ASP 126 Cb 0.00 -1.63 -0.10 0.00 -0.02 0.00 0.00 41.12 39.37 2gal n ASP 126 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2gal s VAL 127 N 2.65 0.05 -0.36 2.53 0.11 -1.26 -4.46 120.40 119.66 2gal s VAL 127 Ca 0.47 -0.44 -0.01 0.00 -2.93 0.00 0.00 61.98 59.07 2gal s VAL 127 Cb 0.08 -0.50 0.09 0.00 -1.53 0.00 0.00 36.38 34.53 2gal s VAL 127 CO -0.01 -0.24 0.11 -1.10 -3.33 0.00 0.00 175.10 170.53 2gal s GLN 128 N -1.01 1.95 0.21 1.54 -0.21 0.16 -4.60 119.66 117.71 2gal s GLN 128 Ca -0.11 -1.72 -0.30 0.00 0.02 0.00 0.00 55.36 53.26 2gal s GLN 128 Cb -0.05 -3.38 -0.09 0.00 1.00 0.00 0.00 33.01 30.48 2gal s GLN 128 CO 0.02 -0.93 1.29 -0.51 -2.12 0.00 0.00 175.29 173.04 2gal s LEU 129 N 1.10 4.43 -0.16 2.90 1.02 -1.26 -0.30 118.68 126.40 2gal s LEU 129 Ca 0.06 2.41 -0.13 0.00 0.02 0.00 0.00 54.13 56.49 2gal s LEU 129 Cb -0.21 -3.61 -0.06 0.00 0.02 0.00 0.00 46.19 42.33 2gal s LEU 129 CO -0.05 -0.50 -0.19 -0.67 0.02 0.00 0.00 176.35 174.97 2gal n ASP 130 N 2.39 1.85 -3.47 2.29 -0.08 0.15 -4.91 116.55 114.78 2gal n ASP 130 Ca 0.05 0.53 -0.14 0.00 -1.51 0.00 0.00 54.79 53.72 2gal n ASP 130 Cb 0.43 -0.85 -0.04 0.00 2.34 0.00 0.00 41.12 43.01 2gal n ASP 130 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2gal s SER 131 N -5.98 -0.58 -0.15 1.67 1.04 -0.93 -5.00 113.70 103.76 2gal s SER 131 Ca -0.21 0.25 -0.00 0.00 0.48 0.00 0.00 55.95 56.46 2gal s SER 131 Cb 0.04 0.57 0.04 0.00 0.10 0.00 0.00 66.02 66.76 2gal s SER 131 CO 0.32 -0.83 -0.06 -0.69 0.98 0.00 0.00 173.24 172.96 2gal s VAL 132 N -2.80 1.12 0.00 5.02 1.01 -1.26 -0.85 120.40 122.65 2gal s VAL 132 Ca -0.03 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.47 2gal s VAL 132 Cb -0.01 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 2gal s VAL 132 CO -0.04 0.21 -0.19 -0.13 0.00 0.00 0.00 175.10 174.95 2gal s ARG 133 N 1.64 1.42 -0.19 2.72 1.81 -0.41 -4.99 118.95 120.96 2gal s ARG 133 Ca 0.02 -0.73 0.00 0.00 -1.72 0.00 0.00 55.73 53.30 2gal s ARG 133 Cb -0.14 -1.41 0.02 0.00 -0.45 0.00 0.00 34.95 32.96 2gal s ARG 133 CO -0.08 0.38 -0.17 0.42 -0.68 0.00 0.00 175.30 175.17 2gal s ILE 134 N -0.55 2.29 -0.93 1.52 1.01 -1.26 -0.22 121.20 123.06 2gal s ILE 134 Ca 0.07 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.93 2gal s ILE 134 Cb -0.07 -1.98 0.06 0.00 0.01 0.00 0.00 42.46 40.47 2gal s ILE 134 CO 0.00 0.52 0.74 0.49 0.00 0.00 0.00 174.94 176.68