#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5gal n ASN 2 N 0.00 -5.83 -4.18 6.43 3.02 -1.26 -0.68 115.26 112.77 5gal n ASN 2 Ca 0.00 -0.09 -0.23 0.00 -0.03 0.00 0.00 54.58 54.23 5gal n ASN 2 Cb 0.00 -4.81 -0.14 0.00 -0.61 0.00 0.00 39.78 34.22 5gal n ASN 2 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 5gal s VAL 3 N -3.05 1.35 0.42 2.41 -7.23 -1.26 -3.49 120.40 109.55 5gal s VAL 3 Ca 0.09 -0.93 -0.25 0.00 -1.81 0.00 0.00 61.98 59.08 5gal s VAL 3 Cb -0.04 -1.17 -0.08 0.00 0.56 0.00 0.00 36.38 35.65 5gal s VAL 3 CO 0.11 0.22 1.28 -2.16 -0.31 0.00 0.00 175.10 174.25 5gal s PRO 4 N -0.82 3.91 -0.14 4.82 0.04 -1.26 -5.00 135.00 136.54 5gal s PRO 4 Ca 0.05 2.10 -0.02 0.00 0.04 0.00 0.00 61.00 63.18 5gal s PRO 4 Cb -0.07 -2.69 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 5gal s PRO 4 CO 0.01 -0.53 -0.09 -1.58 0.04 0.00 0.00 177.00 174.85 5gal s HIS 5 N -1.30 2.91 -0.06 0.56 2.46 0.67 -4.95 115.29 115.57 5gal s HIS 5 Ca 0.58 -0.51 0.03 0.00 0.47 0.00 0.00 55.06 55.64 5gal s HIS 5 Cb -0.37 -1.90 0.00 0.00 -0.13 0.00 0.00 32.58 30.19 5gal s HIS 5 CO 0.47 -0.15 -0.16 0.15 -2.47 0.00 0.00 174.74 172.58 5gal s LYS 6 N 0.39 1.89 -0.06 2.88 1.02 -1.26 -0.29 119.74 124.31 5gal s LYS 6 Ca -0.08 -0.55 0.01 0.00 0.02 0.00 0.00 55.97 55.38 5gal s LYS 6 Cb -0.15 -1.57 0.02 0.00 -0.52 0.00 0.00 37.83 35.61 5gal s LYS 6 CO 0.04 0.14 -0.08 -1.12 -0.92 0.00 0.00 175.35 173.40 5gal s SER 7 N 0.35 1.50 0.37 2.83 0.01 -0.01 -4.99 113.70 113.77 5gal s SER 7 Ca -0.11 -0.23 -0.18 0.00 1.31 0.00 0.00 55.95 56.75 5gal s SER 7 Cb -0.14 -0.67 -0.10 0.00 0.21 0.00 0.00 66.02 65.32 5gal s SER 7 CO 0.04 -0.02 0.84 -0.44 0.41 0.00 0.00 173.24 174.06 5gal s SER 8 N 0.91 6.86 -0.45 2.44 0.01 -1.26 -0.38 113.70 121.82 5gal s SER 8 Ca -0.11 1.47 0.07 0.00 1.31 0.00 0.00 55.95 58.70 5gal s SER 8 Cb -0.15 -2.45 0.24 0.00 0.21 0.00 0.00 66.02 63.87 5gal s SER 8 CO 0.01 -0.28 0.55 0.18 0.41 0.00 0.00 173.24 174.11 5gal n LEU 9 N -0.48 0.93 -0.27 2.44 4.77 -0.17 -4.91 117.00 119.31 5gal n LEU 9 Ca 0.05 -4.83 0.02 0.00 -0.03 0.00 0.00 56.01 51.22 5gal n LEU 9 Cb 0.54 0.32 0.09 0.00 -2.33 0.00 0.00 43.42 42.03 5gal n LEU 9 CO 0.39 2.04 0.71 -0.65 -1.33 0.00 0.00 177.39 178.54 5gal h PRO 10 N 4.25 -0.01 -0.05 3.23 0.11 -1.92 0.42 132.00 138.05 5gal h PRO 10 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 5gal h PRO 10 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 5gal h PRO 10 CO 0.54 -0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.71 5gal n GLU 11 N -5.50 1.40 0.00 1.05 1.02 -1.26 -5.03 120.64 112.31 5gal n GLU 11 Ca 0.10 -0.59 0.00 0.00 -0.02 0.00 0.00 57.16 56.65 5gal n GLU 11 Cb 0.39 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 5gal n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 5gal n GLY 12 N 1.05 -1.26 3.32 0.62 0.00 0.15 -4.94 105.19 104.12 5gal n GLY 12 Ca 0.18 -1.23 -0.17 0.00 0.00 0.00 0.00 46.02 44.80 5gal n GLY 12 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 5gal s ILE 13 N 0.00 1.58 0.26 -0.61 -4.36 -1.26 -4.97 121.20 111.84 5gal s ILE 13 Ca 0.00 -2.17 0.02 0.00 -0.26 0.00 0.00 60.65 58.24 5gal s ILE 13 Cb 0.00 -1.99 -0.04 0.00 1.25 0.00 0.00 42.46 41.68 5gal s ILE 13 CO 0.00 -0.64 0.15 0.00 0.24 0.00 0.00 174.94 174.69 5gal s ARG 14 N -3.67 1.45 0.07 0.37 1.70 -1.26 -4.34 118.95 113.26 5gal s ARG 14 Ca 0.21 -1.80 -0.32 0.00 -0.47 0.00 0.00 55.73 53.35 5gal s ARG 14 Cb 0.00 0.03 -0.11 0.00 -0.57 0.00 0.00 34.95 34.30 5gal s ARG 14 CO 0.05 -0.42 1.87 -2.30 -1.08 0.00 0.00 175.30 173.42 5gal n PRO 15 N -0.46 2.67 0.00 3.89 -0.02 -1.26 -1.93 135.00 137.89 5gal n PRO 15 Ca 0.02 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 5gal n PRO 15 Cb 0.65 -2.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 5gal n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 5gal n GLY 16 N 4.30 1.27 3.78 -1.23 0.00 0.18 -4.98 105.19 108.51 5gal n GLY 16 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 5gal n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 5gal s THR 17 N -2.00 5.17 -0.09 2.61 2.01 -0.81 -4.96 115.64 117.57 5gal s THR 17 Ca 0.00 0.76 0.03 0.00 0.31 0.00 0.00 61.69 62.79 5gal s THR 17 Cb 0.00 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.81 5gal s THR 17 CO 0.00 0.46 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.49 5gal s VAL 18 N -0.17 1.79 -0.25 3.82 1.01 0.43 -1.01 120.40 126.03 5gal s VAL 18 Ca 0.22 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 5gal s VAL 18 Cb -0.15 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 5gal s VAL 18 CO 0.09 0.50 0.02 -0.76 0.00 0.00 0.00 175.10 174.95 5gal s LEU 19 N 0.46 3.28 -0.21 3.92 1.02 -0.17 0.44 118.68 127.42 5gal s LEU 19 Ca -0.17 -0.43 -0.02 0.00 0.02 0.00 0.00 54.13 53.52 5gal s LEU 19 Cb -0.17 -1.82 -0.00 0.00 0.02 0.00 0.00 46.19 44.21 5gal s LEU 19 CO 0.07 -0.07 -0.09 -0.60 0.02 0.00 0.00 176.35 175.69 5gal s ARG 20 N 1.52 3.28 -0.10 1.70 3.52 0.51 -0.82 118.95 128.55 5gal s ARG 20 Ca 0.05 -0.68 0.04 0.00 -0.13 0.00 0.00 55.73 55.01 5gal s ARG 20 Cb -0.15 -2.88 -0.00 0.00 -1.56 0.00 0.00 34.95 30.35 5gal s ARG 20 CO -0.00 -0.19 -0.24 0.42 -0.81 0.00 0.00 175.30 174.49 5gal s ILE 21 N 1.39 2.09 0.00 4.11 1.01 -0.46 -0.26 121.20 129.09 5gal s ILE 21 Ca 0.05 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 59.75 5gal s ILE 21 Cb -0.14 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 5gal s ILE 21 CO -0.06 0.56 -0.18 -0.13 0.00 0.00 0.00 174.94 175.14 5gal s ARG 22 N 0.35 1.34 0.03 2.79 0.52 -0.31 -0.10 118.95 123.57 5gal s ARG 22 Ca -0.18 -0.70 -0.09 0.00 -0.52 0.00 0.00 55.73 54.23 5gal s ARG 22 Cb -0.18 -1.33 0.03 0.00 0.52 0.00 0.00 34.95 33.99 5gal s ARG 22 CO 0.09 0.36 0.43 0.41 0.02 0.00 0.00 175.30 176.60 5gal n GLY 23 N 2.40 0.74 3.26 -3.53 0.00 -0.74 -0.47 105.19 106.85 5gal n GLY 23 Ca -0.16 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 5gal n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 5gal s LEU 24 N 0.00 2.05 -0.25 0.99 2.96 -0.05 -0.23 118.68 124.15 5gal s LEU 24 Ca 0.10 -0.49 -0.20 0.00 -0.22 0.00 0.00 54.13 53.32 5gal s LEU 24 Cb -0.01 -1.32 -0.02 0.00 0.50 0.00 0.00 46.19 45.34 5gal s LEU 24 CO 0.01 0.25 0.60 -0.69 -1.32 0.00 0.00 176.35 175.19 5gal s VAL 25 N -0.21 5.01 0.77 1.68 1.01 -0.77 -1.61 120.40 126.28 5gal s VAL 25 Ca -0.02 1.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.93 5gal s VAL 25 Cb -0.13 -3.91 0.06 0.00 0.00 0.00 0.00 36.38 32.40 5gal s VAL 25 CO 0.03 0.06 1.08 -2.16 0.00 0.00 0.00 175.10 174.11 5gal s PRO 26 N 2.34 2.27 0.27 2.72 0.04 -1.26 0.48 135.00 141.86 5gal s PRO 26 Ca 0.25 0.85 -0.07 0.00 0.04 0.00 0.00 61.00 62.08 5gal s PRO 26 Cb -0.16 -1.92 0.47 0.00 0.04 0.00 0.00 34.50 32.93 5gal s PRO 26 CO 0.09 -1.54 1.58 -1.00 0.04 0.00 0.00 177.00 176.16 5gal h PRO 27 N -1.04 0.01 -0.72 0.56 0.13 -1.95 -2.17 132.00 126.82 5gal h PRO 27 Ca -0.46 -0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.32 5gal h PRO 27 Cb 1.25 -0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.16 5gal h PRO 27 CO 0.56 0.01 0.34 0.09 -0.23 0.00 0.00 178.00 178.77 5gal n ASN 28 N -5.54 3.44 -4.77 1.44 3.02 -1.26 -4.73 115.26 106.85 5gal n ASN 28 Ca 0.16 -3.61 -0.40 0.00 -0.03 0.00 0.00 54.58 50.70 5gal n ASN 28 Cb 0.51 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 5gal n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 5gal s ALA 29 N -3.23 3.34 -0.17 5.41 0.00 -0.82 -4.93 121.76 121.36 5gal s ALA 29 Ca 0.52 1.40 -0.13 0.00 0.00 0.00 0.00 51.96 53.75 5gal s ALA 29 Cb 0.45 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.94 5gal s ALA 29 CO 0.07 -1.00 -0.28 0.43 0.00 0.00 0.00 175.76 174.99 5gal n SER 30 N 0.14 1.65 -3.58 0.00 7.64 -1.26 -4.57 113.62 113.63 5gal n SER 30 Ca 0.03 0.28 -0.06 0.00 1.01 0.00 0.00 58.87 60.13 5gal n SER 30 Cb 0.42 -0.65 -0.02 0.00 -1.01 0.00 0.00 64.21 62.95 5gal n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 5gal s ARG 31 N -2.56 0.84 0.27 1.43 1.70 -1.26 0.32 118.95 119.69 5gal s ARG 31 Ca -0.26 -0.37 -0.08 0.00 -0.47 0.00 0.00 55.73 54.55 5gal s ARG 31 Cb 0.07 0.35 -0.01 0.00 -0.57 0.00 0.00 34.95 34.80 5gal s ARG 31 CO 0.36 -0.38 0.43 -0.59 -1.08 0.00 0.00 175.30 174.04 5gal s PHE 32 N -3.06 0.69 0.11 5.89 -0.71 -1.07 -0.56 117.98 119.27 5gal s PHE 32 Ca 0.08 -1.00 -0.10 0.00 -1.04 0.00 0.00 56.93 54.88 5gal s PHE 32 Cb -0.01 0.01 0.00 0.00 -1.21 0.00 0.00 43.02 41.81 5gal s PHE 32 CO -0.05 -0.99 0.24 -3.38 -1.34 0.00 0.00 175.22 169.69 5gal s HIS 33 N -3.72 0.18 -0.15 3.49 -3.43 -0.47 -2.77 115.29 108.43 5gal s HIS 33 Ca 0.27 -0.58 -0.01 0.00 -0.80 0.00 0.00 55.06 53.94 5gal s HIS 33 Cb 0.01 -0.02 0.04 0.00 -1.43 0.00 0.00 32.58 31.17 5gal s HIS 33 CO 0.13 -0.61 -0.04 0.08 -2.00 0.00 0.00 174.74 172.30 5gal s VAL 34 N -3.88 0.92 -0.06 -5.38 1.01 -0.10 -1.57 120.40 111.33 5gal s VAL 34 Ca 0.08 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.60 5gal s VAL 34 Cb 0.04 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 5gal s VAL 34 CO -0.08 0.13 -0.09 0.20 0.00 0.00 0.00 175.10 175.26 5gal s ASN 35 N 1.72 4.43 -0.54 3.32 0.01 0.25 -0.76 114.94 123.36 5gal s ASN 35 Ca 0.02 -0.08 -0.06 0.00 -0.71 0.00 0.00 52.86 52.02 5gal s ASN 35 Cb -0.15 -1.06 0.14 0.00 0.41 0.00 0.00 41.25 40.59 5gal s ASN 35 CO -0.07 0.35 0.38 -0.76 -1.51 0.00 0.00 177.10 175.49 5gal s LEU 36 N -0.77 5.52 0.44 0.60 1.43 0.59 -1.19 118.68 125.30 5gal s LEU 36 Ca 0.12 -2.34 -0.07 0.00 -1.03 0.00 0.00 54.13 50.81 5gal s LEU 36 Cb -0.11 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 5gal s LEU 36 CO 0.01 -0.53 0.76 -0.76 0.23 0.00 0.00 176.35 176.06 5gal s LEU 37 N 0.70 3.73 0.00 1.79 1.43 -0.12 -0.82 118.68 125.40 5gal s LEU 37 Ca 0.11 0.96 0.22 0.00 -1.03 0.00 0.00 54.13 54.40 5gal s LEU 37 Cb -0.22 -3.88 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 5gal s LEU 37 CO -0.03 -0.49 1.01 0.00 0.23 0.00 0.00 176.35 177.07 5gal s GLY 39 N -3.17 0.36 0.00 0.00 0.00 -1.26 -4.46 107.32 98.79 5gal s GLY 39 Ca 0.07 -0.71 0.26 0.00 0.00 0.00 0.00 44.72 44.35 5gal s GLY 39 CO 0.82 -0.34 1.50 1.18 0.00 0.00 0.00 173.10 176.26 5gal n GLU 40 N -0.50 1.84 -2.69 2.90 1.02 -1.26 -4.83 120.64 117.12 5gal n GLU 40 Ca -0.06 -1.32 -0.35 0.00 -0.02 0.00 0.00 57.16 55.42 5gal n GLU 40 Cb 0.60 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 30.49 5gal n GLU 40 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 5gal s GLU 41 N -2.07 4.25 0.34 3.49 1.03 -1.26 -4.99 118.70 119.50 5gal s GLU 41 Ca 0.32 1.32 -0.29 0.00 0.03 0.00 0.00 54.97 56.35 5gal s GLU 41 Cb 0.20 -2.44 -0.11 0.00 -0.80 0.00 0.00 34.13 30.98 5gal s GLU 41 CO 0.35 -0.03 1.52 1.04 -1.33 0.00 0.00 175.26 176.81 5gal n GLN 42 N -0.20 2.66 -1.00 -4.83 3.00 -1.26 -2.04 117.38 113.71 5gal n GLN 42 Ca 0.05 0.94 0.00 0.00 -0.01 0.00 0.00 57.00 57.98 5gal n GLN 42 Cb 0.51 -2.68 0.00 0.00 0.00 0.00 0.00 30.24 28.07 5gal n GLN 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 5gal n GLY 43 N 1.13 0.63 3.35 1.08 0.00 -1.26 -5.01 105.19 105.12 5gal n GLY 43 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 5gal n GLY 43 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 5gal n SER 44 N -0.02 -2.45 -4.73 1.61 2.88 -0.87 -4.70 113.62 105.35 5gal n SER 44 Ca 0.00 0.50 -0.33 0.00 -1.33 0.00 0.00 58.87 57.71 5gal n SER 44 Cb 0.01 -1.09 0.10 0.00 -0.75 0.00 0.00 64.21 62.48 5gal n SER 44 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 5gal s ASP 45 N -1.41 4.15 -0.06 -3.46 1.11 -1.26 -4.82 116.67 110.93 5gal s ASP 45 Ca 0.59 2.19 -0.01 0.00 0.18 0.00 0.00 52.55 55.49 5gal s ASP 45 Cb -0.32 -2.57 0.03 0.00 1.07 0.00 0.00 42.92 41.13 5gal s ASP 45 CO 0.64 -2.28 0.02 0.00 1.18 0.00 0.00 175.17 174.73 5gal s ALA 46 N -2.30 0.54 0.35 5.23 0.00 0.54 -1.27 121.76 124.85 5gal s ALA 46 Ca 0.70 -0.02 0.12 0.00 0.00 0.00 0.00 51.96 52.76 5gal s ALA 46 Cb -0.25 -0.67 0.64 0.00 0.00 0.00 0.00 23.12 22.85 5gal s ALA 46 CO 0.48 -0.42 1.78 0.00 0.00 0.00 0.00 175.76 177.61 5gal h ALA 47 N 8.23 1.30 -2.71 0.00 0.00 -1.23 -0.54 119.26 124.31 5gal h ALA 47 Ca -0.20 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.20 5gal h ALA 47 Cb 1.12 -0.07 -0.27 0.00 0.00 0.00 0.00 17.79 18.57 5gal h ALA 47 CO 0.26 0.52 -0.34 -1.17 0.00 0.00 0.00 179.25 178.52 5gal s LEU 48 N -8.12 -0.03 -0.18 0.00 2.96 -1.21 -4.69 118.68 107.41 5gal s LEU 48 Ca -0.03 0.83 0.00 0.00 -0.22 0.00 0.00 54.13 54.72 5gal s LEU 48 Cb 0.14 1.24 0.04 0.00 0.50 0.00 0.00 46.19 48.10 5gal s LEU 48 CO 0.74 -0.19 -0.11 -2.28 -1.32 0.00 0.00 176.35 173.19 5gal s HIS 49 N 1.44 2.22 -0.22 5.38 5.65 0.44 -0.30 115.29 129.90 5gal s HIS 49 Ca -0.09 -1.39 -0.04 0.00 0.25 0.00 0.00 55.06 53.80 5gal s HIS 49 Cb -0.09 -1.57 -0.01 0.00 -1.18 0.00 0.00 32.58 29.73 5gal s HIS 49 CO -0.12 -0.70 -0.04 0.12 -0.65 0.00 0.00 174.74 173.35 5gal s PHE 50 N 1.46 2.96 -0.49 3.88 5.36 0.06 -1.16 117.98 130.04 5gal s PHE 50 Ca 0.01 -0.88 0.04 0.00 -0.96 0.00 0.00 56.93 55.13 5gal s PHE 50 Cb -0.15 -2.09 0.16 0.00 -0.34 0.00 0.00 43.02 40.60 5gal s PHE 50 CO -0.09 -0.51 0.36 1.21 -1.46 0.00 0.00 175.22 174.73 5gal s ASN 51 N 1.40 2.86 -0.02 6.13 3.04 0.79 -0.92 114.94 128.22 5gal s ASN 51 Ca 0.05 -3.15 -0.30 0.00 0.04 0.00 0.00 52.86 49.50 5gal s ASN 51 Cb -0.14 -0.87 -0.06 0.00 -1.54 0.00 0.00 41.25 38.64 5gal s ASN 51 CO -0.02 -0.17 1.54 -2.84 -3.04 0.00 0.00 177.10 172.56 5gal s PRO 52 N -0.24 4.22 -0.52 0.43 0.02 -1.11 -2.44 135.00 135.36 5gal s PRO 52 Ca 0.27 2.10 -0.08 0.00 0.02 0.00 0.00 61.00 63.31 5gal s PRO 52 Cb -0.05 -3.76 0.13 0.00 0.02 0.00 0.00 34.50 30.84 5gal s PRO 52 CO -0.14 -0.73 0.39 1.03 -0.33 0.00 0.00 177.00 177.22 5gal s ARG 53 N 3.20 2.55 0.44 5.54 0.52 0.11 -2.60 118.95 128.70 5gal s ARG 53 Ca 0.69 -1.96 0.24 0.00 -0.52 0.00 0.00 55.73 54.17 5gal s ARG 53 Cb -0.33 -3.91 0.91 0.00 0.52 0.00 0.00 34.95 32.14 5gal s ARG 53 CO 0.28 -1.19 1.82 -0.07 0.02 0.00 0.00 175.30 176.16 5gal h LEU 54 N 8.12 0.00 0.00 2.53 -0.00 -0.39 -0.11 115.31 125.46 5gal h LEU 54 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 5gal h LEU 54 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 5gal h LEU 54 CO 0.81 0.23 -0.06 -0.90 -0.00 0.00 0.00 178.44 178.52 5gal n ASP 55 N -3.39 0.49 0.00 -0.43 5.75 -0.23 -3.66 116.55 115.07 5gal n ASP 55 Ca 0.00 0.49 0.00 0.00 -0.01 0.00 0.00 54.79 55.27 5gal n ASP 55 Cb 0.43 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 5gal n ASP 55 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 5gal n THR 56 N -1.94 0.11 -3.52 2.12 -2.24 -1.14 -5.02 114.28 102.65 5gal n THR 56 Ca 0.06 -0.34 -0.20 0.00 -2.27 0.00 0.00 64.05 61.30 5gal n THR 56 Cb 0.39 1.29 0.08 0.00 -2.10 0.00 0.00 70.33 69.99 5gal n THR 56 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 5gal n SER 57 N -0.06 -3.34 -4.10 3.42 7.64 -0.11 -5.02 113.62 112.05 5gal n SER 57 Ca 0.00 -0.62 -0.09 0.00 1.01 0.00 0.00 58.87 59.17 5gal n SER 57 Cb 0.16 -4.97 -0.10 0.00 -1.01 0.00 0.00 64.21 58.29 5gal n SER 57 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 5gal s GLU 58 N -5.74 0.63 -0.24 1.43 2.02 -0.84 -4.61 118.70 111.36 5gal s GLU 58 Ca 0.20 -1.10 0.00 0.00 0.02 0.00 0.00 54.97 54.09 5gal s GLU 58 Cb -0.09 -0.03 0.06 0.00 0.10 0.00 0.00 34.13 34.18 5gal s GLU 58 CO 0.74 -0.04 -0.04 0.08 0.02 0.00 0.00 175.26 176.02 5gal s VAL 59 N -3.08 1.43 -0.14 2.63 1.01 -1.26 0.04 120.40 121.03 5gal s VAL 59 Ca 0.03 -1.19 -0.08 0.00 0.00 0.00 0.00 61.98 60.74 5gal s VAL 59 Cb 0.02 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 5gal s VAL 59 CO -0.05 -0.14 0.14 -0.69 0.00 0.00 0.00 175.10 174.35 5gal s VAL 60 N 1.43 5.47 -0.08 2.92 1.01 -1.02 -1.13 120.40 129.00 5gal s VAL 60 Ca -0.04 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.18 5gal s VAL 60 Cb -0.19 -3.41 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 5gal s VAL 60 CO -0.07 0.57 -0.23 -0.36 0.00 0.00 0.00 175.10 175.01 5gal s PHE 61 N -0.64 2.41 0.35 5.22 0.40 -0.24 -0.15 117.98 125.33 5gal s PHE 61 Ca 0.13 -0.89 -0.07 0.00 -0.60 0.00 0.00 56.93 55.50 5gal s PHE 61 Cb -0.12 -1.61 0.02 0.00 0.51 0.00 0.00 43.02 41.82 5gal s PHE 61 CO 0.02 -0.33 0.56 1.21 0.70 0.00 0.00 175.22 177.38 5gal s ASN 62 N 0.18 0.59 0.09 1.36 3.84 -0.31 -1.13 114.94 119.55 5gal s ASN 62 Ca -0.13 -1.34 0.01 0.00 0.21 0.00 0.00 52.86 51.60 5gal s ASN 62 Cb -0.16 0.71 -0.04 0.00 -0.55 0.00 0.00 41.25 41.20 5gal s ASN 62 CO 0.07 -1.39 -0.04 -0.94 -2.79 0.00 0.00 177.10 172.01 5gal s SER 63 N -3.17 0.85 -0.08 -4.21 1.04 -1.26 -0.42 113.70 106.44 5gal s SER 63 Ca 0.26 -1.03 0.01 0.00 0.48 0.00 0.00 55.95 55.67 5gal s SER 63 Cb -0.02 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.27 5gal s SER 63 CO 0.17 -0.54 -0.11 -0.75 0.98 0.00 0.00 173.24 172.99 5gal s LYS 64 N -3.89 1.62 -0.04 4.02 2.20 -0.21 -1.18 119.74 122.26 5gal s LYS 64 Ca 0.12 -0.36 -0.00 0.00 -0.36 0.00 0.00 55.97 55.37 5gal s LYS 64 Cb 0.06 -1.44 0.03 0.00 -1.51 0.00 0.00 37.83 34.97 5gal s LYS 64 CO -0.05 -0.07 0.01 -2.00 -0.36 0.00 0.00 175.35 172.88 5gal s GLU 65 N 0.99 0.34 -1.29 4.03 2.56 -0.33 -0.34 118.70 124.66 5gal s GLU 65 Ca -0.09 0.13 -0.06 0.00 0.00 0.00 0.00 54.97 54.96 5gal s GLU 65 Cb -0.15 -0.63 0.01 0.00 2.00 0.00 0.00 34.13 35.35 5gal s GLU 65 CO -0.00 -0.21 0.75 1.04 -0.56 0.00 0.00 175.26 176.28 5gal n GLN 66 N 4.61 -5.47 -1.18 4.30 1.13 -1.26 -1.15 117.38 118.37 5gal n GLN 66 Ca -0.17 0.77 -0.06 0.00 -1.94 0.00 0.00 57.00 55.60 5gal n GLN 66 Cb 0.50 -5.44 -0.03 0.00 0.11 0.00 0.00 30.24 25.39 5gal n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 5gal n GLY 67 N -1.60 0.72 3.21 1.08 0.00 -1.26 -4.97 105.19 102.37 5gal n GLY 67 Ca -0.05 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 5gal n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 5gal s SER 68 N -2.37 3.45 0.26 1.61 0.01 -0.30 -5.11 113.70 111.27 5gal s SER 68 Ca 0.00 -0.54 -0.29 0.00 1.31 0.00 0.00 55.95 56.42 5gal s SER 68 Cb 0.00 -1.53 -0.09 0.00 0.21 0.00 0.00 66.02 64.60 5gal s SER 68 CO 0.00 0.05 1.24 0.26 0.41 0.00 0.00 173.24 175.20 5gal s TRP 69 N 1.01 3.29 0.00 2.43 0.52 -1.26 -1.18 118.94 123.75 5gal s TRP 69 Ca -0.02 1.44 0.00 0.00 0.02 0.00 0.00 56.10 57.54 5gal s TRP 69 Cb -0.15 -3.53 0.00 0.00 -1.15 0.00 0.00 33.47 28.65 5gal s TRP 69 CO -0.04 -1.45 0.00 0.41 0.02 0.00 0.00 176.95 175.89 5gal n GLY 70 N 1.50 -0.54 3.66 0.98 0.00 -0.32 -4.95 105.19 105.51 5gal n GLY 70 Ca 0.02 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 5gal n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 5gal s ARG 71 N -0.16 4.27 0.47 1.61 3.52 -1.26 -4.88 118.95 122.52 5gal s ARG 71 Ca 0.00 0.95 -0.23 0.00 -0.13 0.00 0.00 55.73 56.32 5gal s ARG 71 Cb 0.00 -3.58 -0.07 0.00 -1.56 0.00 0.00 34.95 29.74 5gal s ARG 71 CO 0.00 -0.34 1.25 -1.21 -0.81 0.00 0.00 175.30 174.19 5gal s GLU 72 N 2.21 3.64 -0.03 5.12 2.02 -1.26 -4.80 118.70 125.59 5gal s GLU 72 Ca 0.36 1.99 0.07 0.00 0.02 0.00 0.00 54.97 57.41 5gal s GLU 72 Cb -0.16 -2.45 -0.02 0.00 0.10 0.00 0.00 34.13 31.60 5gal s GLU 72 CO 0.11 -0.71 -0.24 -1.21 0.02 0.00 0.00 175.26 173.23 5gal s GLU 73 N -2.65 2.25 -0.11 1.61 2.02 -0.29 -4.98 118.70 116.56 5gal s GLU 73 Ca 0.64 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.75 5gal s GLU 73 Cb -0.34 -2.12 -0.02 0.00 0.10 0.00 0.00 34.13 31.75 5gal s GLU 73 CO 0.41 0.54 -0.11 1.03 0.02 0.00 0.00 175.26 177.16 5gal s ARG 74 N -0.56 3.16 0.73 1.61 0.52 -1.26 -1.08 118.95 122.06 5gal s ARG 74 Ca 0.08 -0.64 -0.11 0.00 -0.52 0.00 0.00 55.73 54.54 5gal s ARG 74 Cb -0.11 -2.62 0.03 0.00 0.52 0.00 0.00 34.95 32.78 5gal s ARG 74 CO -0.00 0.37 1.11 0.20 0.02 0.00 0.00 175.30 177.01 5gal s GLY 75 N -0.05 1.62 -0.97 -3.53 0.00 -0.29 -4.96 107.32 99.14 5gal s GLY 75 Ca -0.02 -0.44 -0.24 0.00 0.00 0.00 0.00 44.72 44.03 5gal s GLY 75 CO 0.04 -0.04 1.85 2.56 0.00 0.00 0.00 173.10 177.51 5gal s PRO 76 N -5.41 2.77 0.08 2.90 0.04 -1.26 -4.67 135.00 129.45 5gal s PRO 76 Ca 0.59 -0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.03 5gal s PRO 76 Cb -0.11 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.28 5gal s PRO 76 CO 0.51 -3.22 0.00 0.41 0.04 0.00 0.00 177.00 174.73 5gal n GLY 77 N 6.68 -1.93 3.30 0.56 0.00 -1.26 -4.82 105.19 107.72 5gal n GLY 77 Ca 0.40 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 5gal n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5gal s VAL 78 N -2.03 4.64 -0.38 1.61 1.01 -1.26 -4.61 120.40 119.38 5gal s VAL 78 Ca 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 61.98 60.60 5gal s VAL 78 Cb 0.00 -3.86 0.24 0.00 0.00 0.00 0.00 36.38 32.76 5gal s VAL 78 CO 0.00 -0.61 2.06 -0.81 0.00 0.00 0.00 175.10 175.74 5gal n PRO 79 N 5.04 1.96 -4.23 2.72 -0.04 -1.26 -4.84 135.00 134.35 5gal n PRO 79 Ca -0.11 -1.85 -0.13 0.00 -0.04 0.00 0.00 63.50 61.37 5gal n PRO 79 Cb 0.42 -1.74 -0.10 0.00 -0.04 0.00 0.00 33.50 32.05 5gal n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 5gal s PHE 80 N -2.11 1.16 -0.22 0.54 0.08 -1.26 -4.87 117.98 111.30 5gal s PHE 80 Ca 0.37 -0.94 -0.18 0.00 0.12 0.00 0.00 56.93 56.30 5gal s PHE 80 Cb 0.29 -0.65 0.06 0.00 -0.57 0.00 0.00 43.02 42.15 5gal s PHE 80 CO -0.02 -0.13 0.57 -0.65 -0.10 0.00 0.00 175.22 174.89 5gal s GLN 81 N -3.86 0.64 0.39 0.44 -0.21 -1.26 -5.09 119.66 110.70 5gal s GLN 81 Ca 0.20 0.84 -0.27 0.00 0.02 0.00 0.00 55.36 56.14 5gal s GLN 81 Cb 0.05 0.27 -0.10 0.00 1.00 0.00 0.00 33.01 34.23 5gal s GLN 81 CO 0.01 -0.09 1.41 1.03 -2.12 0.00 0.00 175.29 175.53 5gal s ARG 82 N 0.55 4.05 -0.06 2.91 0.52 -1.26 -1.80 118.95 123.85 5gal s ARG 82 Ca -0.02 2.41 0.00 0.00 -0.52 0.00 0.00 55.73 57.60 5gal s ARG 82 Cb -0.05 -2.89 0.00 0.00 0.52 0.00 0.00 34.95 32.53 5gal s ARG 82 CO -0.03 -0.52 0.00 0.41 0.02 0.00 0.00 175.30 175.19 5gal n GLY 83 N 0.58 0.43 3.14 -3.53 0.00 0.18 -4.86 105.19 101.13 5gal n GLY 83 Ca 0.02 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 5gal n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 5gal s GLN 84 N -0.69 1.40 0.85 1.61 -1.52 -0.75 -4.95 119.66 115.62 5gal s GLN 84 Ca 0.00 -0.58 -0.12 0.00 -1.95 0.00 0.00 55.36 52.71 5gal s GLN 84 Cb 0.00 -1.33 0.10 0.00 -0.22 0.00 0.00 33.01 31.57 5gal s GLN 84 CO 0.00 0.33 1.16 -1.25 -0.25 0.00 0.00 175.29 175.28 5gal s PRO 85 N -0.29 1.62 0.20 2.91 0.04 -1.26 -1.84 135.00 136.37 5gal s PRO 85 Ca 0.04 0.20 -0.20 0.00 0.04 0.00 0.00 61.00 61.08 5gal s PRO 85 Cb -0.07 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.61 5gal s PRO 85 CO -0.00 -1.85 0.60 -0.59 0.04 0.00 0.00 177.00 175.19 5gal s PHE 86 N -3.44 -0.29 -0.04 0.56 -0.12 0.67 -4.88 117.98 110.44 5gal s PHE 86 Ca 0.63 -0.03 0.00 0.00 -0.05 0.00 0.00 56.93 57.48 5gal s PHE 86 Cb -0.13 0.53 0.03 0.00 -0.63 0.00 0.00 43.02 42.82 5gal s PHE 86 CO 0.51 -0.97 -0.01 -2.00 -0.05 0.00 0.00 175.22 172.70 5gal s GLU 87 N -3.84 0.45 -0.02 1.99 2.12 -1.26 -1.80 118.70 116.35 5gal s GLU 87 Ca 0.06 0.04 0.05 0.00 0.36 0.00 0.00 54.97 55.48 5gal s GLU 87 Cb -0.02 -0.60 -0.01 0.00 0.26 0.00 0.00 34.13 33.75 5gal s GLU 87 CO -0.04 -0.13 -0.18 0.08 -0.54 0.00 0.00 175.26 174.44 5gal s VAL 88 N 1.07 1.45 -0.14 3.70 1.01 0.85 -2.59 120.40 125.75 5gal s VAL 88 Ca -0.09 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.14 5gal s VAL 88 Cb -0.14 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.04 5gal s VAL 88 CO -0.01 0.41 -0.22 -0.76 0.00 0.00 0.00 175.10 174.52 5gal s LEU 89 N -0.33 2.10 -0.29 3.92 1.43 -0.31 -1.35 118.68 123.85 5gal s LEU 89 Ca 0.05 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.52 5gal s LEU 89 Cb -0.08 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 44.75 5gal s LEU 89 CO -0.00 0.08 -0.01 -0.63 0.23 0.00 0.00 176.35 176.02 5gal s ILE 90 N 0.83 3.04 -0.20 -0.59 1.01 -0.00 -1.06 121.20 124.23 5gal s ILE 90 Ca -0.07 -1.26 -0.05 0.00 0.00 0.00 0.00 60.65 59.27 5gal s ILE 90 Cb -0.15 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 5gal s ILE 90 CO -0.02 -0.03 0.01 -0.63 0.00 0.00 0.00 174.94 174.27 5gal s ILE 91 N 1.29 4.12 -0.23 2.92 1.01 0.21 -0.99 121.20 129.52 5gal s ILE 91 Ca -0.04 -0.26 -0.22 0.00 0.00 0.00 0.00 60.65 60.13 5gal s ILE 91 Cb -0.19 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 5gal s ILE 91 CO -0.01 0.43 0.70 0.00 0.00 0.00 0.00 174.94 176.05 5gal s ALA 92 N 0.87 3.59 0.08 9.38 0.00 -0.18 0.48 121.76 135.99 5gal s ALA 92 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.71 5gal s ALA 92 Cb -0.14 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.89 5gal s ALA 92 CO 0.02 -0.74 0.02 -1.13 0.00 0.00 0.00 175.76 173.93 5gal n SER 93 N 5.53 1.91 -0.13 0.00 3.41 -0.31 -0.64 113.62 123.39 5gal n SER 93 Ca 0.01 -1.31 -0.00 0.00 -0.26 0.00 0.00 58.87 57.31 5gal n SER 93 Cb 0.49 0.03 0.26 0.00 -0.26 0.00 0.00 64.21 64.74 5gal n SER 93 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 5gal h ASP 94 N 0.15 0.73 0.00 4.04 5.19 -1.96 -3.33 116.42 121.24 5gal h ASP 94 Ca -0.06 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.28 5gal h ASP 94 Cb 0.19 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.51 5gal h ASP 94 CO 0.10 0.61 0.00 -0.90 -3.12 0.00 0.00 179.24 175.93 5gal n ASP 95 N -4.37 1.29 -2.18 6.45 5.68 -1.26 -4.99 116.55 117.18 5gal n ASP 95 Ca 0.05 -1.38 0.01 0.00 -0.50 0.00 0.00 54.79 52.97 5gal n ASP 95 Cb 0.12 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 5gal n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 5gal n GLY 96 N -0.19 0.40 3.49 6.12 0.00 -1.25 -1.35 105.19 112.42 5gal n GLY 96 Ca 0.00 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 5gal n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 5gal s PHE 97 N -2.45 3.04 -0.19 1.61 0.08 0.26 -1.16 117.98 119.18 5gal s PHE 97 Ca 0.13 -0.31 -0.14 0.00 0.12 0.00 0.00 56.93 56.73 5gal s PHE 97 Cb -0.00 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 5gal s PHE 97 CO -0.01 -0.07 0.30 0.15 -0.10 0.00 0.00 175.22 175.49 5gal s LYS 98 N 0.50 4.20 -0.26 0.44 1.02 0.18 -1.20 119.74 124.62 5gal s LYS 98 Ca -0.02 0.05 -0.08 0.00 0.02 0.00 0.00 55.97 55.94 5gal s LYS 98 Cb -0.14 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.66 5gal s LYS 98 CO 0.02 0.12 0.09 0.00 -0.92 0.00 0.00 175.35 174.67 5gal s ALA 99 N 0.84 3.22 -0.25 5.17 0.00 0.20 -0.62 121.76 130.33 5gal s ALA 99 Ca 0.15 -1.16 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 5gal s ALA 99 Cb -0.14 -2.16 0.04 0.00 0.00 0.00 0.00 23.12 20.86 5gal s ALA 99 CO 0.05 -0.54 -0.09 0.08 0.00 0.00 0.00 175.76 175.26 5gal s VAL 100 N 1.63 2.59 -0.13 0.00 1.01 -0.23 -0.37 120.40 124.89 5gal s VAL 100 Ca 0.06 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 60.85 5gal s VAL 100 Cb -0.15 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 5gal s VAL 100 CO 0.05 0.16 -0.17 -0.69 0.00 0.00 0.00 175.10 174.45 5gal s VAL 101 N 1.26 2.64 -1.32 2.92 1.01 -0.60 -1.16 120.40 125.13 5gal s VAL 101 Ca -0.02 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 5gal s VAL 101 Cb -0.17 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.14 5gal s VAL 101 CO -0.06 0.53 0.91 0.61 0.00 0.00 0.00 175.10 177.10 5gal n GLY 102 N 3.72 -0.39 2.59 4.51 0.00 -1.07 -2.52 105.19 112.04 5gal n GLY 102 Ca -0.19 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.98 5gal n GLY 102 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 5gal n ASP 103 N -3.03 -3.82 -4.11 1.61 8.00 -1.26 -5.00 116.55 108.94 5gal n ASP 103 Ca -0.19 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.14 5gal n ASP 103 Cb 0.63 -1.79 -0.13 0.00 -0.02 0.00 0.00 41.12 39.81 5gal n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 5gal s ALA 104 N -1.68 0.94 0.13 2.24 0.00 -1.05 -5.11 121.76 117.24 5gal s ALA 104 Ca 0.00 -0.80 -0.31 0.00 0.00 0.00 0.00 51.96 50.85 5gal s ALA 104 Cb 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 23.12 22.93 5gal s ALA 104 CO 0.00 0.13 1.68 -0.65 0.00 0.00 0.00 175.76 176.92 5gal s GLN 105 N -1.32 4.18 -0.13 0.00 -1.52 -1.26 -1.56 119.66 118.05 5gal s GLN 105 Ca -0.02 2.44 -0.04 0.00 -1.95 0.00 0.00 55.36 55.79 5gal s GLN 105 Cb -0.08 -3.40 -0.06 0.00 -0.22 0.00 0.00 33.01 29.24 5gal s GLN 105 CO 0.01 -0.72 -0.14 0.98 -0.25 0.00 0.00 175.29 175.16 5gal n TYR 106 N 4.93 0.00 -3.52 0.91 9.36 0.50 -4.88 117.16 124.45 5gal n TYR 106 Ca 0.16 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.21 5gal n TYR 106 Cb 0.39 -0.46 -0.06 0.00 -0.63 0.00 0.00 39.34 38.58 5gal n TYR 106 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 5gal s HIS 107 N -2.24 -0.62 -0.17 2.98 5.04 -1.08 -4.44 115.29 114.76 5gal s HIS 107 Ca -0.17 0.98 0.01 0.00 -1.54 0.00 0.00 55.06 54.34 5gal s HIS 107 Cb 0.06 0.41 0.02 0.00 0.04 0.00 0.00 32.58 33.11 5gal s HIS 107 CO 0.25 -0.63 -0.18 -1.58 -2.34 0.00 0.00 174.74 170.26 5gal s HIS 108 N -1.53 2.58 -0.44 3.88 2.46 -1.26 -0.63 115.29 120.36 5gal s HIS 108 Ca -0.10 -1.52 -0.11 0.00 0.47 0.00 0.00 55.06 53.81 5gal s HIS 108 Cb -0.00 -1.81 0.08 0.00 -0.13 0.00 0.00 32.58 30.72 5gal s HIS 108 CO 0.07 -0.76 0.31 0.12 -2.47 0.00 0.00 174.74 172.00 5gal s PHE 109 N 1.35 3.32 0.39 3.88 5.36 -0.34 -4.93 117.98 127.02 5gal s PHE 109 Ca 0.05 -1.42 -0.26 0.00 -0.96 0.00 0.00 56.93 54.34 5gal s PHE 109 Cb -0.13 -3.10 -0.11 0.00 -0.34 0.00 0.00 43.02 39.34 5gal s PHE 109 CO -0.12 -0.86 1.19 0.54 -1.46 0.00 0.00 175.22 174.51 5gal n ARG 110 N 4.99 1.78 -1.78 10.12 5.12 -1.26 -0.57 116.66 135.07 5gal n ARG 110 Ca -0.10 0.63 -0.41 0.00 -1.93 0.00 0.00 57.85 56.03 5gal n ARG 110 Cb 0.43 -2.24 -0.01 0.00 -1.16 0.00 0.00 32.46 29.48 5gal n ARG 110 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 5gal s HIS 111 N -1.18 2.67 -0.04 -1.55 3.76 -0.46 -4.83 115.29 113.67 5gal s HIS 111 Ca 0.60 0.92 0.02 0.00 -0.15 0.00 0.00 55.06 56.45 5gal s HIS 111 Cb -0.55 -4.06 -0.04 0.00 1.11 0.00 0.00 32.58 29.03 5gal s HIS 111 CO 0.59 -3.41 -0.01 0.54 -0.85 0.00 0.00 174.74 171.60 5gal n ARG 112 N 1.50 2.06 -4.32 1.40 1.74 -1.26 -5.00 116.66 112.76 5gal n ARG 112 Ca 0.05 0.01 -0.26 0.00 -0.77 0.00 0.00 57.85 56.89 5gal n ARG 112 Cb 0.38 -1.10 -0.09 0.00 -1.02 0.00 0.00 32.46 30.63 5gal n ARG 112 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 5gal s LEU 113 N -4.69 2.91 0.20 0.55 1.43 -1.26 -5.09 118.68 112.74 5gal s LEU 113 Ca -0.04 -0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 52.09 5gal s LEU 113 Cb 0.01 -1.56 -0.09 0.00 0.03 0.00 0.00 46.19 44.59 5gal s LEU 113 CO 0.14 0.08 1.39 -2.84 0.23 0.00 0.00 176.35 175.35 5gal s PRO 114 N -3.04 4.32 0.50 1.29 0.02 -1.26 -4.89 135.00 131.94 5gal s PRO 114 Ca 0.26 2.18 0.23 0.00 0.02 0.00 0.00 61.00 63.68 5gal s PRO 114 Cb -0.08 -3.17 1.29 0.00 0.02 0.00 0.00 34.50 32.57 5gal s PRO 114 CO 0.15 -0.37 1.97 -0.07 -0.33 0.00 0.00 177.00 178.35 5gal h LEU 115 N 5.58 0.12 -1.15 -5.54 3.38 -1.99 -1.47 115.31 114.24 5gal h LEU 115 Ca -0.45 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.53 5gal h LEU 115 Cb 1.21 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.95 5gal h LEU 115 CO 0.80 0.06 0.00 0.00 0.09 0.00 0.00 178.44 179.39 5gal n ALA 116 N -2.61 1.29 0.45 1.53 0.00 -1.26 -2.45 120.51 117.45 5gal n ALA 116 Ca 0.11 0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.83 5gal n ALA 116 Cb 0.59 -1.35 0.16 0.00 0.00 0.00 0.00 19.45 18.86 5gal n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 5gal h ARG 117 N 0.00 0.00 -6.71 0.00 3.08 -1.62 -3.46 114.38 105.67 5gal h ARG 117 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 5gal h ARG 117 Cb 0.14 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.26 5gal h ARG 117 CO 0.00 0.00 0.87 0.08 -1.07 0.00 0.00 179.97 179.85 5gal s VAL 118 N -3.20 2.38 0.00 2.04 1.01 -1.03 -4.45 120.40 117.15 5gal s VAL 118 Ca 0.05 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.33 5gal s VAL 118 Cb 0.12 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.31 5gal s VAL 118 CO 0.72 0.04 0.08 0.54 0.00 0.00 0.00 175.10 176.47 5gal n ARG 119 N 2.95 -0.04 -3.62 2.72 5.12 -0.02 -4.14 116.66 119.64 5gal n ARG 119 Ca 0.10 -0.08 -0.15 0.00 -1.93 0.00 0.00 57.85 55.79 5gal n ARG 119 Cb 0.38 -0.53 -0.07 0.00 -1.16 0.00 0.00 32.46 31.08 5gal n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 5gal s LEU 120 N -0.01 -0.50 -0.12 0.55 2.96 -0.96 -1.00 118.68 119.60 5gal s LEU 120 Ca 0.00 1.09 0.02 0.00 -0.22 0.00 0.00 54.13 55.01 5gal s LEU 120 Cb 0.00 2.30 -0.01 0.00 0.50 0.00 0.00 46.19 48.99 5gal s LEU 120 CO 0.00 -0.36 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.81 5gal s VAL 121 N -0.20 2.60 -0.02 1.68 1.01 0.49 -0.94 120.40 125.01 5gal s VAL 121 Ca -0.04 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.17 5gal s VAL 121 Cb -0.03 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 5gal s VAL 121 CO 0.04 0.54 -0.17 -0.70 0.00 0.00 0.00 175.10 174.80 5gal s GLU 122 N 0.41 1.57 -0.09 2.72 2.12 -0.34 -0.83 118.70 124.27 5gal s GLU 122 Ca -0.13 -0.62 0.02 0.00 0.36 0.00 0.00 54.97 54.59 5gal s GLU 122 Cb -0.17 -1.45 0.01 0.00 0.26 0.00 0.00 34.13 32.79 5gal s GLU 122 CO 0.06 0.33 -0.14 0.08 -0.54 0.00 0.00 175.26 175.05 5gal s VAL 123 N -0.24 1.31 0.25 3.70 1.01 0.60 -0.58 120.40 126.45 5gal s VAL 123 Ca 0.03 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 5gal s VAL 123 Cb -0.09 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.12 5gal s VAL 123 CO 0.00 0.40 0.44 0.61 0.00 0.00 0.00 175.10 176.55 5gal n GLY 124 N 4.03 1.82 0.00 4.51 0.00 -0.61 -0.24 105.19 114.70 5gal n GLY 124 Ca -0.20 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.48 5gal n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5gal n GLY 125 N -0.37 -1.46 3.00 -0.02 0.00 -1.26 -1.37 105.19 103.71 5gal n GLY 125 Ca -0.03 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 5gal n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 5gal n ASP 126 N 0.00 4.66 -3.94 1.61 8.00 0.27 -4.89 116.55 122.26 5gal n ASP 126 Ca 0.00 -2.97 -0.09 0.00 0.71 0.00 0.00 54.79 52.44 5gal n ASP 126 Cb 0.00 -1.59 -0.10 0.00 -0.02 0.00 0.00 41.12 39.41 5gal n ASP 126 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 5gal s VAL 127 N 2.09 0.13 -0.32 2.53 0.11 -1.26 -4.40 120.40 119.28 5gal s VAL 127 Ca 0.45 -1.07 0.03 0.00 -2.93 0.00 0.00 61.98 58.46 5gal s VAL 127 Cb 0.09 -0.78 0.09 0.00 -1.53 0.00 0.00 36.38 34.24 5gal s VAL 127 CO -0.02 -0.59 0.04 -1.10 -3.33 0.00 0.00 175.10 170.10 5gal s GLN 128 N -2.37 1.39 0.33 1.54 -0.21 -0.64 -4.82 119.66 114.89 5gal s GLN 128 Ca -0.07 -1.58 -0.28 0.00 0.02 0.00 0.00 55.36 53.45 5gal s GLN 128 Cb -0.03 -2.86 -0.10 0.00 1.00 0.00 0.00 33.01 31.03 5gal s GLN 128 CO -0.04 -0.89 1.20 -0.51 -2.12 0.00 0.00 175.29 172.94 5gal s LEU 129 N 1.12 4.40 -0.21 2.90 2.01 0.15 -0.87 118.68 128.17 5gal s LEU 129 Ca 0.08 2.47 -0.17 0.00 0.01 0.00 0.00 54.13 56.52 5gal s LEU 129 Cb -0.19 -3.74 -0.08 0.00 0.01 0.00 0.00 46.19 42.19 5gal s LEU 129 CO -0.11 -0.45 -0.34 -0.67 1.01 0.00 0.00 176.35 175.79 5gal n ASP 130 N 0.73 1.94 -3.49 2.29 2.03 0.38 -4.58 116.55 115.85 5gal n ASP 130 Ca 0.01 0.35 -0.15 0.00 0.52 0.00 0.00 54.79 55.52 5gal n ASP 130 Cb 0.44 -0.77 -0.04 0.00 -0.72 0.00 0.00 41.12 40.02 5gal n ASP 130 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 5gal s SER 131 N -6.40 -0.58 -0.15 1.67 1.04 -1.03 -5.00 113.70 103.25 5gal s SER 131 Ca -0.31 0.40 -0.01 0.00 0.48 0.00 0.00 55.95 56.51 5gal s SER 131 Cb 0.07 0.52 0.04 0.00 0.10 0.00 0.00 66.02 66.76 5gal s SER 131 CO 0.44 -0.70 -0.05 -0.69 0.98 0.00 0.00 173.24 173.22 5gal s VAL 132 N -2.17 0.99 0.05 5.02 1.01 -1.26 -1.16 120.40 122.88 5gal s VAL 132 Ca -0.05 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.53 5gal s VAL 132 Cb -0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 5gal s VAL 132 CO 0.00 0.16 -0.26 -0.13 0.00 0.00 0.00 175.10 174.87 5gal s ARG 133 N 1.69 1.78 -0.18 2.72 1.81 0.64 -4.96 118.95 122.44 5gal s ARG 133 Ca 0.02 -1.12 0.01 0.00 -1.72 0.00 0.00 55.73 52.92 5gal s ARG 133 Cb -0.15 -1.97 0.03 0.00 -0.45 0.00 0.00 34.95 32.42 5gal s ARG 133 CO -0.08 0.51 -0.14 0.42 -0.68 0.00 0.00 175.30 175.33 5gal s ILE 134 N -0.82 1.80 -1.24 1.52 1.09 -1.26 -0.36 121.20 121.93 5gal s ILE 134 Ca 0.12 -0.94 0.10 0.00 -1.10 0.00 0.00 60.65 58.83 5gal s ILE 134 Cb -0.10 -1.74 0.08 0.00 -1.06 0.00 0.00 42.46 39.63 5gal s ILE 134 CO 0.02 0.34 0.81 0.49 -0.10 0.00 0.00 174.94 176.51