#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gud s LEU 2 N 0.00 4.37 0.00 2.46 1.43 -1.26 -5.00 118.68 120.69 2gud s LEU 2 Ca 0.00 1.79 -0.07 0.00 -1.03 0.00 0.00 54.13 54.82 2gud s LEU 2 Cb 0.00 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.67 2gud s LEU 2 CO 0.00 -0.33 0.51 1.07 0.23 0.00 0.00 176.35 177.83 2gud n THR 3 N 3.87 0.00 -3.78 5.49 5.66 -1.26 -5.18 114.28 119.09 2gud n THR 3 Ca 0.07 -1.06 -0.11 0.00 -3.05 0.00 0.00 64.05 59.90 2gud n THR 3 Cb 0.49 0.81 -0.07 0.00 -1.55 0.00 0.00 70.33 70.01 2gud n THR 3 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 2gud s HIS 4 N -3.55 -0.04 -0.01 1.09 -3.43 -1.26 -5.16 115.29 102.93 2gud s HIS 4 Ca 0.17 -0.17 -0.00 0.00 -0.80 0.00 0.00 55.06 54.26 2gud s HIS 4 Cb -0.02 0.06 0.01 0.00 -1.43 0.00 0.00 32.58 31.19 2gud s HIS 4 CO 0.13 -0.51 0.01 1.03 -2.00 0.00 0.00 174.74 173.40 2gud s ARG 5 N -2.83 -0.01 -0.14 -0.38 0.52 -1.26 -5.15 118.95 109.71 2gud s ARG 5 Ca -0.03 0.06 -0.09 0.00 -0.52 0.00 0.00 55.73 55.15 2gud s ARG 5 Cb 0.00 -0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.36 2gud s ARG 5 CO -0.05 -0.05 0.16 0.21 0.02 0.00 0.00 175.30 175.59 2gud s LYS 6 N 0.31 3.74 0.01 3.54 2.20 -1.26 -5.10 119.74 123.18 2gud s LYS 6 Ca -0.03 -0.12 0.06 0.00 -0.36 0.00 0.00 55.97 55.53 2gud s LYS 6 Cb -0.04 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 32.99 2gud s LYS 6 CO -0.01 0.60 -0.18 -0.06 -0.36 0.00 0.00 175.35 175.34 2gud s PHE 7 N -0.53 1.56 0.00 4.03 0.40 -1.26 -5.09 117.98 117.10 2gud s PHE 7 Ca 0.13 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 2gud s PHE 7 Cb -0.12 -0.97 0.00 0.00 0.51 0.00 0.00 43.02 42.44 2gud s PHE 7 CO 0.03 0.02 0.00 0.41 0.70 0.00 0.00 175.22 176.38 2gud n GLY 8 N 2.26 -0.95 0.00 4.36 0.00 -1.26 -5.07 105.19 104.53 2gud n GLY 8 Ca -0.16 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.73 2gud n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gud n GLY 9 N 0.00 2.00 0.71 -0.02 0.00 -1.26 -5.05 105.19 101.57 2gud n GLY 9 Ca 0.00 -2.11 0.12 0.00 0.00 0.00 0.00 46.02 44.03 2gud n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gud n SER 10 N -2.10 2.39 -3.47 1.61 3.41 -1.26 -5.00 113.62 109.19 2gud n SER 10 Ca 0.00 -1.71 -0.19 0.00 -0.26 0.00 0.00 58.87 56.71 2gud n SER 10 Cb 0.00 0.16 0.12 0.00 -0.26 0.00 0.00 64.21 64.23 2gud n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gud n GLY 11 N 1.35 -0.63 0.50 5.00 0.00 -1.26 -5.01 105.19 105.14 2gud n GLY 11 Ca 0.13 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.34 2gud n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gud n GLY 12 N -0.72 -2.32 3.53 -0.02 0.00 -1.26 -4.93 105.19 99.47 2gud n GLY 12 Ca 0.11 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 2gud n GLY 12 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gud s SER 13 N -2.08 4.31 0.54 1.61 0.15 -1.26 -5.10 113.70 111.86 2gud s SER 13 Ca 0.00 -0.17 -0.21 0.00 0.70 0.00 0.00 55.95 56.28 2gud s SER 13 Cb 0.00 -0.96 -0.05 0.00 -1.71 0.00 0.00 66.02 63.30 2gud s SER 13 CO 0.00 0.32 1.23 -2.84 1.20 0.00 0.00 173.24 173.15 2gud s PRO 14 N -1.01 3.27 0.06 5.44 0.02 -1.26 -5.05 135.00 136.46 2gud s PRO 14 Ca 0.14 1.91 -0.00 0.00 0.02 0.00 0.00 61.00 63.06 2gud s PRO 14 Cb -0.11 -2.16 -0.04 0.00 0.02 0.00 0.00 34.50 32.21 2gud s PRO 14 CO 0.03 -0.99 -0.04 -0.59 -0.33 0.00 0.00 177.00 175.08 2gud s PHE 15 N -1.51 0.57 0.02 6.54 -0.12 -1.26 -4.89 117.98 117.34 2gud s PHE 15 Ca 0.72 -1.00 0.05 0.00 -0.05 0.00 0.00 56.93 56.65 2gud s PHE 15 Cb -0.32 -0.40 -0.03 0.00 -0.63 0.00 0.00 43.02 41.64 2gud s PHE 15 CO 0.37 -0.32 -0.14 -1.12 -0.05 0.00 0.00 175.22 173.96 2gud s SER 16 N -2.83 4.08 0.31 1.98 0.01 -1.26 -5.03 113.70 110.96 2gud s SER 16 Ca 0.06 -0.31 0.25 0.00 1.31 0.00 0.00 55.95 57.27 2gud s SER 16 Cb 0.06 -0.79 1.05 0.00 0.21 0.00 0.00 66.02 66.56 2gud s SER 16 CO -0.08 0.27 1.76 1.23 0.41 0.00 0.00 173.24 176.83 2gud h GLY 17 N 4.63 0.00 -7.65 3.44 0.00 -2.02 -3.41 103.07 98.05 2gud h GLY 17 Ca -0.48 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.20 2gud h GLY 17 CO 0.50 0.00 -0.41 -2.27 0.00 0.00 0.00 176.54 174.36 2gud s LEU 18 N -4.76 4.28 -0.06 3.11 2.96 -1.26 -4.97 118.68 117.98 2gud s LEU 18 Ca 0.04 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 2gud s LEU 18 Cb 0.09 -2.22 -0.06 0.00 0.50 0.00 0.00 46.19 44.50 2gud s LEU 18 CO 0.42 -0.20 -0.01 -1.20 -1.32 0.00 0.00 176.35 174.04 2gud n SER 19 N 5.19 3.55 -3.52 3.68 7.64 -1.26 -4.89 113.62 124.00 2gud n SER 19 Ca -0.12 -0.01 -0.13 0.00 1.01 0.00 0.00 58.87 59.62 2gud n SER 19 Cb 0.50 0.41 -0.04 0.00 -1.01 0.00 0.00 64.21 64.08 2gud n SER 19 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2gud s SER 20 N -4.01 -0.46 -0.01 6.43 1.04 -1.26 -1.34 113.70 114.09 2gud s SER 20 Ca -0.05 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.44 2gud s SER 20 Cb 0.02 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2gud s SER 20 CO 0.21 -0.83 -0.01 -0.63 0.98 0.00 0.00 173.24 172.96 2gud s ILE 21 N -3.12 0.12 0.22 -1.02 -1.09 -0.19 -0.95 121.20 115.17 2gud s ILE 21 Ca -0.02 -0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.38 2gud s ILE 21 Cb -0.00 -0.13 -0.04 0.00 -1.58 0.00 0.00 42.46 40.70 2gud s ILE 21 CO -0.07 0.05 0.10 0.00 -1.23 0.00 0.00 174.94 173.79 2gud s ALA 22 N 0.18 1.38 0.09 9.38 0.00 -0.35 -0.65 121.76 131.79 2gud s ALA 22 Ca -0.01 -1.74 0.01 0.00 0.00 0.00 0.00 51.96 50.22 2gud s ALA 22 Cb -0.03 1.15 -0.04 0.00 0.00 0.00 0.00 23.12 24.20 2gud s ALA 22 CO -0.01 -0.51 -0.06 0.14 0.00 0.00 0.00 175.76 175.32 2gud s VAL 23 N -3.95 0.62 -0.13 0.00 -7.23 -1.26 -0.54 120.40 107.91 2gud s VAL 23 Ca 0.36 -1.81 -0.05 0.00 -1.81 0.00 0.00 61.98 58.67 2gud s VAL 23 Cb 0.07 -1.52 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 2gud s VAL 23 CO 0.11 -0.82 0.05 -0.13 -0.31 0.00 0.00 175.10 174.00 2gud s ARG 24 N -3.54 3.46 0.02 4.82 0.52 -0.40 -0.42 118.95 123.42 2gud s ARG 24 Ca 0.08 -0.33 -0.11 0.00 -0.52 0.00 0.00 55.73 54.86 2gud s ARG 24 Cb 0.04 -3.03 0.01 0.00 0.52 0.00 0.00 34.95 32.48 2gud s ARG 24 CO -0.05 0.55 0.22 -1.54 0.02 0.00 0.00 175.30 174.51 2gud s SER 25 N -0.43 -0.03 0.00 0.23 1.04 -0.30 -0.49 113.70 113.72 2gud s SER 25 Ca 0.09 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.29 2gud s SER 25 Cb -0.12 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2gud s SER 25 CO 0.02 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.33 2gud n GLY 26 N 0.90 2.90 0.21 7.32 0.00 -1.26 -0.86 105.19 114.40 2gud n GLY 26 Ca -0.20 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 45.64 2gud n GLY 26 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2gud h SER 27 N 0.00 0.00 -1.70 1.61 0.02 -1.91 -3.13 113.55 108.43 2gud h SER 27 Ca 0.00 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 2gud h SER 27 Cb 0.00 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.41 2gud h SER 27 CO 0.00 0.24 -0.50 -0.31 -1.14 0.00 0.00 176.83 175.12 2gud s TYR 28 N -3.47 1.77 -0.41 3.45 2.02 -1.26 -1.91 117.35 117.54 2gud s TYR 28 Ca 0.02 -1.18 -0.27 0.00 -0.37 0.00 0.00 57.07 55.26 2gud s TYR 28 Cb 0.09 -1.35 0.02 0.00 -0.40 0.00 0.00 41.96 40.32 2gud s TYR 28 CO 0.65 -0.09 1.03 -0.51 -1.57 0.00 0.00 175.55 175.06 2gud s LEU 29 N -3.76 3.86 0.25 -1.29 1.43 -0.23 -4.37 118.68 114.58 2gud s LEU 29 Ca 0.12 0.56 0.06 0.00 -1.03 0.00 0.00 54.13 53.83 2gud s LEU 29 Cb 0.01 -3.40 0.31 0.00 0.03 0.00 0.00 46.19 43.13 2gud s LEU 29 CO 0.08 -1.03 1.60 0.44 0.23 0.00 0.00 176.35 177.67 2gud h ASP 30 N 8.75 0.23 -4.96 2.29 5.19 -1.09 -0.74 116.42 126.10 2gud h ASP 30 Ca -0.23 -0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.04 2gud h ASP 30 Cb 1.07 -0.07 -0.15 0.00 0.18 0.00 0.00 39.33 40.36 2gud h ASP 30 CO 1.05 0.75 0.23 0.00 -3.12 0.00 0.00 179.24 178.14 2gud s ALA 31 N -3.82 -1.68 0.01 3.45 0.00 -1.05 -1.11 121.76 117.56 2gud s ALA 31 Ca -0.04 0.82 0.08 0.00 0.00 0.00 0.00 51.96 52.83 2gud s ALA 31 Cb 0.12 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 2gud s ALA 31 CO 0.79 -0.62 -0.24 -1.50 0.00 0.00 0.00 175.76 174.19 2gud s ILE 32 N -2.79 1.93 -0.24 0.00 2.07 -0.29 -1.27 121.20 120.60 2gud s ILE 32 Ca -0.03 -1.15 0.02 0.00 -1.41 0.00 0.00 60.65 58.08 2gud s ILE 32 Cb -0.01 -1.62 0.05 0.00 0.13 0.00 0.00 42.46 41.01 2gud s ILE 32 CO -0.05 0.44 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.66 2gud s ILE 33 N -0.67 2.23 -0.22 2.00 1.09 0.30 -0.84 121.20 125.10 2gud s ILE 33 Ca 0.10 -1.39 -0.02 0.00 -1.10 0.00 0.00 60.65 58.23 2gud s ILE 33 Cb -0.09 -2.20 0.01 0.00 -1.06 0.00 0.00 42.46 39.12 2gud s ILE 33 CO 0.00 0.14 -0.08 -0.63 -0.10 0.00 0.00 174.94 174.27 2gud s ILE 34 N 1.18 2.93 -1.41 2.92 1.01 -0.36 -1.21 121.20 126.25 2gud s ILE 34 Ca -0.04 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 59.76 2gud s ILE 34 Cb -0.18 -2.36 0.05 0.00 0.01 0.00 0.00 42.46 39.98 2gud s ILE 34 CO -0.07 0.38 0.60 0.47 0.00 0.00 0.00 174.94 176.32 2gud n ASP 35 N 4.72 -4.73 0.00 3.58 8.00 -0.12 -1.20 116.55 126.79 2gud n ASP 35 Ca -0.18 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 54.92 2gud n ASP 35 Cb 0.49 -3.85 0.00 0.00 -0.02 0.00 0.00 41.12 37.74 2gud n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gud n GLY 36 N -1.37 2.53 3.66 0.44 0.00 -1.26 -4.98 105.19 104.21 2gud n GLY 36 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 2gud n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gud s VAL 37 N -2.21 5.03 0.06 1.61 1.01 -0.34 -5.01 120.40 120.54 2gud s VAL 37 Ca 0.00 1.15 -0.27 0.00 0.00 0.00 0.00 61.98 62.86 2gud s VAL 37 Cb 0.00 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 2gud s VAL 37 CO 0.00 0.12 0.85 -2.28 0.00 0.00 0.00 175.10 173.78 2gud s HIS 38 N 1.90 3.74 -0.18 5.22 2.46 -1.26 -1.22 115.29 125.96 2gud s HIS 38 Ca 0.28 1.59 -0.02 0.00 0.47 0.00 0.00 55.06 57.38 2gud s HIS 38 Cb -0.16 -2.93 0.05 0.00 -0.13 0.00 0.00 32.58 29.42 2gud s HIS 38 CO 0.10 0.21 0.02 -1.01 -2.47 0.00 0.00 174.74 171.59 2gud s HIS 39 N 0.12 1.12 -2.79 3.88 3.76 -0.02 -5.00 115.29 116.36 2gud s HIS 39 Ca 0.43 -0.83 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 2gud s HIS 39 Cb -0.21 -1.05 0.00 0.00 1.11 0.00 0.00 32.58 32.42 2gud s HIS 39 CO 0.25 -0.58 0.00 0.41 -0.85 0.00 0.00 174.74 173.97 2gud n GLY 40 N 5.03 0.77 0.00 -2.22 0.00 -1.26 -1.14 105.19 106.36 2gud n GLY 40 Ca -0.09 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.86 2gud n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gud n GLY 41 N 0.00 1.11 0.58 -0.02 0.00 -0.27 -4.83 105.19 101.76 2gud n GLY 41 Ca 0.00 -1.99 0.06 0.00 0.00 0.00 0.00 46.02 44.09 2gud n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gud n SER 42 N -2.52 2.35 -3.55 1.61 3.41 -1.26 -4.58 113.62 109.08 2gud n SER 42 Ca 0.00 -1.66 -0.25 0.00 -0.26 0.00 0.00 58.87 56.69 2gud n SER 42 Cb 0.00 -0.07 0.19 0.00 -0.26 0.00 0.00 64.21 64.06 2gud n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gud n GLY 43 N 0.71 -1.88 7.00 5.00 0.00 -1.26 -4.92 105.19 109.84 2gud n GLY 43 Ca 0.09 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2gud n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gud n GLY 44 N -2.85 -0.09 3.24 -0.02 0.00 -1.26 -4.50 105.19 99.70 2gud n GLY 44 Ca 0.14 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.90 2gud n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gud s ASN 45 N -4.00 2.42 -0.12 1.61 0.01 -0.04 -4.79 114.94 110.03 2gud s ASN 45 Ca 0.00 -0.48 -0.29 0.00 -0.71 0.00 0.00 52.86 51.38 2gud s ASN 45 Cb 0.00 -0.22 -0.01 0.00 0.41 0.00 0.00 41.25 41.43 2gud s ASN 45 CO 0.00 0.18 0.98 -0.22 -1.51 0.00 0.00 177.10 176.52 2gud s LEU 46 N -1.02 4.23 0.80 0.60 2.96 -1.26 -1.15 118.68 123.84 2gud s LEU 46 Ca 0.07 1.47 -0.11 0.00 -0.22 0.00 0.00 54.13 55.35 2gud s LEU 46 Cb -0.09 -3.50 0.07 0.00 0.50 0.00 0.00 46.19 43.17 2gud s LEU 46 CO 0.01 -0.44 1.09 -0.94 -1.32 0.00 0.00 176.35 174.75 2gud s SER 47 N 1.10 4.35 0.90 3.68 1.04 0.44 -4.99 113.70 120.23 2gud s SER 47 Ca 0.47 1.66 -0.11 0.00 0.48 0.00 0.00 55.95 58.45 2gud s SER 47 Cb -0.18 -2.38 0.12 0.00 0.10 0.00 0.00 66.02 63.68 2gud s SER 47 CO 0.17 -2.11 1.06 -2.65 0.98 0.00 0.00 173.24 170.69 2gud n PRO 48 N -3.56 -0.34 -3.14 4.02 -0.02 -1.26 -4.63 135.00 126.08 2gud n PRO 48 Ca 0.08 -0.03 -0.39 0.00 -2.02 0.00 0.00 63.50 61.14 2gud n PRO 48 Cb 0.54 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 2gud n PRO 48 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2gud s THR 49 N -2.52 5.02 -0.31 3.45 2.01 -1.26 -4.62 115.64 117.40 2gud s THR 49 Ca 0.67 1.31 -0.16 0.00 0.31 0.00 0.00 61.69 63.82 2gud s THR 49 Cb -0.24 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.28 2gud s THR 49 CO 0.58 0.32 0.41 0.12 -0.69 0.00 0.00 174.62 175.35 2gud s PHE 50 N 0.44 3.22 -0.20 4.92 2.19 0.18 -4.96 117.98 123.76 2gud s PHE 50 Ca 0.34 0.20 -0.04 0.00 0.33 0.00 0.00 56.93 57.75 2gud s PHE 50 Cb -0.18 -2.69 -0.02 0.00 -1.31 0.00 0.00 43.02 38.82 2gud s PHE 50 CO 0.17 -0.38 -0.02 0.99 1.83 0.00 0.00 175.22 177.81 2gud s THR 51 N 2.13 3.72 0.14 0.12 2.01 -1.26 -1.03 115.64 121.47 2gud s THR 51 Ca 0.15 -0.39 -0.31 0.00 0.31 0.00 0.00 61.69 61.45 2gud s THR 51 Cb -0.16 -2.67 -0.08 0.00 0.01 0.00 0.00 72.50 69.60 2gud s THR 51 CO 0.11 0.43 1.34 -0.36 -0.69 0.00 0.00 174.62 175.46 2gud s PHE 52 N 1.07 3.27 1.01 4.92 0.08 -0.45 -5.01 117.98 122.87 2gud s PHE 52 Ca 0.02 1.08 -0.16 0.00 0.12 0.00 0.00 56.93 57.99 2gud s PHE 52 Cb -0.14 -3.63 0.20 0.00 -0.57 0.00 0.00 43.02 38.88 2gud s PHE 52 CO 0.01 -2.10 1.21 0.20 -0.10 0.00 0.00 175.22 174.43 2gud s GLY 53 N 0.83 1.66 0.18 4.36 0.00 -1.26 -4.92 107.32 108.17 2gud s GLY 53 Ca 0.61 -0.92 -0.32 0.00 0.00 0.00 0.00 44.72 44.09 2gud s GLY 53 CO 0.33 -0.19 1.72 -1.26 0.00 0.00 0.00 173.10 173.70 2gud n SER 54 N -4.03 3.81 -0.22 1.64 2.88 -1.26 -1.47 113.62 114.98 2gud n SER 54 Ca 0.12 1.05 -0.03 0.00 -1.33 0.00 0.00 58.87 58.68 2gud n SER 54 Cb 0.59 -1.54 -0.01 0.00 -0.75 0.00 0.00 64.21 62.51 2gud n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gud n GLY 55 N 3.91 0.48 3.84 0.46 0.00 -1.26 -4.99 105.19 107.64 2gud n GLY 55 Ca 0.17 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 2gud n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gud s GLU 56 N -1.55 3.67 0.09 1.61 2.12 -0.54 -4.96 118.70 119.14 2gud s GLU 56 Ca 0.00 -0.06 -0.12 0.00 0.36 0.00 0.00 54.97 55.15 2gud s GLU 56 Cb 0.00 -3.24 0.02 0.00 0.26 0.00 0.00 34.13 31.16 2gud s GLU 56 CO 0.00 0.66 0.29 1.52 -0.54 0.00 0.00 175.26 177.19 2gud s TYR 57 N -0.73 -0.03 0.01 5.30 -0.85 -1.26 -4.68 117.35 115.11 2gud s TYR 57 Ca 0.15 -0.30 -0.30 0.00 -0.52 0.00 0.00 57.07 56.10 2gud s TYR 57 Cb -0.13 0.09 -0.06 0.00 0.38 0.00 0.00 41.96 42.24 2gud s TYR 57 CO 0.04 -0.60 1.48 0.42 -1.52 0.00 0.00 175.55 175.38 2gud s ILE 58 N -3.60 3.55 -0.03 -3.49 1.01 -1.26 -1.31 121.20 116.07 2gud s ILE 58 Ca 0.02 0.92 0.14 0.00 0.00 0.00 0.00 60.65 61.74 2gud s ILE 58 Cb 0.03 -3.59 -0.22 0.00 0.01 0.00 0.00 42.46 38.69 2gud s ILE 58 CO -0.10 -0.01 0.29 -0.24 0.00 0.00 0.00 174.94 174.87 2gud n SER 59 N 5.63 1.73 -3.74 3.58 2.88 -0.21 -1.69 113.62 121.79 2gud n SER 59 Ca 0.14 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.55 2gud n SER 59 Cb 0.43 1.57 -0.09 0.00 -0.75 0.00 0.00 64.21 65.37 2gud n SER 59 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2gud s ASN 60 N -3.75 -0.28 -0.11 -3.46 2.20 -1.00 -1.55 114.94 106.99 2gud s ASN 60 Ca -0.05 0.32 -0.19 0.00 -0.94 0.00 0.00 52.86 52.00 2gud s ASN 60 Cb 0.09 0.46 0.05 0.00 -2.00 0.00 0.00 41.25 39.84 2gud s ASN 60 CO 0.59 -0.37 0.48 -0.32 -2.94 0.00 0.00 177.10 174.54 2gud s MET 61 N -0.88 0.69 -0.11 3.55 1.75 -0.25 -1.13 119.30 122.91 2gud s MET 61 Ca -0.10 0.37 0.02 0.00 -1.25 0.00 0.00 55.69 54.73 2gud s MET 61 Cb -0.04 0.32 0.01 0.00 2.84 0.00 0.00 34.83 37.96 2gud s MET 61 CO 0.04 -0.15 -0.18 0.99 -0.65 0.00 0.00 175.02 175.07 2gud s THR 62 N -0.44 1.69 -0.10 10.11 2.01 -0.20 -0.58 115.64 128.14 2gud s THR 62 Ca -0.06 -0.77 0.04 0.00 0.31 0.00 0.00 61.69 61.22 2gud s THR 62 Cb -0.03 -1.51 0.00 0.00 0.01 0.00 0.00 72.50 70.96 2gud s THR 62 CO 0.03 0.48 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.58 2gud s ILE 63 N 0.83 2.00 -0.15 1.82 1.01 -0.16 -1.20 121.20 125.35 2gud s ILE 63 Ca -0.09 -0.99 -0.10 0.00 0.00 0.00 0.00 60.65 59.47 2gud s ILE 63 Cb -0.16 -1.73 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 2gud s ILE 63 CO 0.00 0.55 0.17 -0.13 0.00 0.00 0.00 174.94 175.53 2gud s ARG 64 N 0.33 3.91 0.16 2.79 0.52 -0.36 -1.05 118.95 125.25 2gud s ARG 64 Ca -0.18 -0.11 -0.15 0.00 -0.52 0.00 0.00 55.73 54.77 2gud s ARG 64 Cb -0.18 -3.32 0.03 0.00 0.52 0.00 0.00 34.95 31.99 2gud s ARG 64 CO 0.08 0.49 0.43 -1.54 0.02 0.00 0.00 175.30 174.78 2gud s SER 65 N -0.22 -0.20 0.00 0.23 1.04 -0.37 -0.22 113.70 113.97 2gud s SER 65 Ca 0.13 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2gud s SER 65 Cb -0.12 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2gud s SER 65 CO 0.02 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.91 2gud n GLY 66 N -0.26 2.35 0.20 7.32 0.00 -1.26 -1.35 105.19 112.19 2gud n GLY 66 Ca -0.12 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 45.93 2gud n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gud h ASP 67 N 0.00 0.00 -2.12 1.61 3.32 -2.00 -3.46 116.42 113.78 2gud h ASP 67 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 2gud h ASP 67 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 2gud h ASP 67 CO 0.00 0.29 -0.51 -0.31 -1.72 0.00 0.00 179.24 177.00 2gud s TYR 68 N -3.59 1.80 -0.35 4.55 2.02 -1.26 -4.77 117.35 115.75 2gud s TYR 68 Ca 0.01 -1.20 -0.23 0.00 -0.37 0.00 0.00 57.07 55.28 2gud s TYR 68 Cb 0.10 -1.31 0.01 0.00 -0.40 0.00 0.00 41.96 40.36 2gud s TYR 68 CO 0.66 -0.14 0.79 0.42 -1.57 0.00 0.00 175.55 175.72 2gud s ILE 69 N -3.08 4.75 0.03 2.71 -1.09 -0.04 -4.40 121.20 120.08 2gud s ILE 69 Ca 0.16 0.98 -0.04 0.00 -2.23 0.00 0.00 60.65 59.52 2gud s ILE 69 Cb 0.02 -4.19 -0.29 0.00 -1.58 0.00 0.00 42.46 36.42 2gud s ILE 69 CO 0.10 -0.38 0.98 0.44 -1.23 0.00 0.00 174.94 174.85 2gud h ASP 70 N 8.37 0.43 -4.46 3.58 5.19 -0.92 -0.58 116.42 128.03 2gud h ASP 70 Ca -0.25 -0.53 -0.04 0.00 -0.62 0.00 0.00 57.03 55.59 2gud h ASP 70 Cb 1.09 -0.14 -0.20 0.00 0.18 0.00 0.00 39.33 40.26 2gud h ASP 70 CO 0.90 1.43 0.19 0.21 -3.12 0.00 0.00 179.24 178.85 2gud s ASN 71 N -7.09 -0.68 0.03 6.45 3.84 -0.91 -0.93 114.94 115.65 2gud s ASN 71 Ca -0.07 1.03 0.03 0.00 0.21 0.00 0.00 52.86 54.06 2gud s ASN 71 Cb 0.07 0.95 -0.02 0.00 -0.55 0.00 0.00 41.25 41.70 2gud s ASN 71 CO 0.87 -0.43 -0.10 -0.51 -2.79 0.00 0.00 177.10 174.14 2gud s ILE 72 N -0.45 0.79 -0.01 -5.21 2.07 -0.59 -1.22 121.20 116.58 2gud s ILE 72 Ca -0.05 -0.81 -0.08 0.00 -1.41 0.00 0.00 60.65 58.29 2gud s ILE 72 Cb -0.02 -0.74 0.01 0.00 0.13 0.00 0.00 42.46 41.83 2gud s ILE 72 CO 0.05 -0.06 0.16 -0.55 -1.91 0.00 0.00 174.94 172.64 2gud s SER 73 N -0.97 -0.02 0.16 4.50 0.15 -0.34 -1.42 113.70 115.76 2gud s SER 73 Ca -0.01 -0.11 -0.10 0.00 0.70 0.00 0.00 55.95 56.42 2gud s SER 73 Cb -0.07 0.24 -0.00 0.00 -1.71 0.00 0.00 66.02 64.48 2gud s SER 73 CO 0.01 -0.35 0.31 0.72 1.20 0.00 0.00 173.24 175.13 2gud s PHE 74 N -1.23 0.27 0.03 3.44 -0.12 -0.31 -1.03 117.98 119.03 2gud s PHE 74 Ca -0.13 -0.63 0.03 0.00 -0.05 0.00 0.00 56.93 56.15 2gud s PHE 74 Cb -0.07 0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 42.33 2gud s PHE 74 CO 0.02 -0.73 -0.09 -1.21 -0.05 0.00 0.00 175.22 173.15 2gud s GLU 75 N -3.93 0.63 0.44 1.99 2.02 -0.28 -0.98 118.70 118.59 2gud s GLU 75 Ca 0.14 -0.65 0.08 0.00 0.02 0.00 0.00 54.97 54.56 2gud s GLU 75 Cb 0.03 -0.53 0.02 0.00 0.10 0.00 0.00 34.13 33.75 2gud s GLU 75 CO -0.02 0.12 0.59 0.95 0.02 0.00 0.00 175.26 176.92 2gud s THR 76 N -0.96 2.85 0.63 3.63 -4.23 -0.04 -1.05 115.64 116.48 2gud s THR 76 Ca -0.04 -1.02 0.36 0.00 -1.18 0.00 0.00 61.69 59.81 2gud s THR 76 Cb -0.08 -2.88 0.39 0.00 1.34 0.00 0.00 72.50 71.28 2gud s THR 76 CO 0.01 0.00 2.28 -0.55 -0.54 0.00 0.00 174.62 175.82 2gud h ASN 77 N 0.60 0.00 -0.07 3.99 -1.07 -1.53 -0.12 115.58 117.37 2gud h ASN 77 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.98 2gud h ASN 77 Cb 1.28 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 2gud h ASN 77 CO 0.45 0.00 0.00 0.23 0.07 0.00 0.00 177.43 178.18 2gud n MET 78 N -3.46 1.45 -1.00 4.14 2.81 -1.26 -4.92 117.12 114.88 2gud n MET 78 Ca -0.03 -0.67 -0.00 0.00 -1.81 0.00 0.00 57.70 55.19 2gud n MET 78 Cb 0.11 -1.40 -0.00 0.00 -0.71 0.00 0.00 33.22 31.22 2gud n MET 78 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gud n GLY 79 N 1.04 0.48 3.83 3.03 0.00 -0.06 -5.03 105.19 108.49 2gud n GLY 79 Ca 0.17 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2gud n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gud s ARG 80 N -0.32 4.10 0.05 1.61 0.52 -1.26 -4.79 118.95 118.86 2gud s ARG 80 Ca 0.00 0.72 0.08 0.00 -0.52 0.00 0.00 55.73 56.01 2gud s ARG 80 Cb 0.00 -2.69 -0.03 0.00 0.52 0.00 0.00 34.95 32.75 2gud s ARG 80 CO 0.00 0.30 -0.21 0.50 0.02 0.00 0.00 175.30 175.91 2gud s ARG 81 N -2.43 1.93 -0.11 3.54 6.06 -1.26 -0.86 118.95 125.82 2gud s ARG 81 Ca 0.47 -1.05 0.02 0.00 -2.50 0.00 0.00 55.73 52.67 2gud s ARG 81 Cb -0.14 -2.10 0.01 0.00 0.06 0.00 0.00 34.95 32.79 2gud s ARG 81 CO 0.19 0.52 -0.17 0.12 -2.50 0.00 0.00 175.30 173.47 2gud s PHE 82 N -0.90 2.12 0.00 5.12 5.36 -0.15 -5.00 117.98 124.53 2gud s PHE 82 Ca 0.14 -1.01 0.00 0.00 -0.96 0.00 0.00 56.93 55.10 2gud s PHE 82 Cb -0.10 -1.51 0.00 0.00 -0.34 0.00 0.00 43.02 41.07 2gud s PHE 82 CO 0.04 -0.50 0.00 0.41 -1.46 0.00 0.00 175.22 173.71 2gud n GLY 83 N 4.15 -1.92 3.75 13.12 0.00 -1.26 -1.16 105.19 121.87 2gud n GLY 83 Ca -0.19 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 43.99 2gud n GLY 83 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2gud s PRO 84 N 0.00 3.22 -0.02 1.61 0.02 -1.26 -4.87 135.00 133.70 2gud s PRO 84 Ca 0.00 2.01 0.03 0.00 0.02 0.00 0.00 61.00 63.06 2gud s PRO 84 Cb 0.00 -2.19 -0.00 0.00 0.02 0.00 0.00 34.50 32.32 2gud s PRO 84 CO 0.00 -1.06 -0.10 0.71 -0.33 0.00 0.00 177.00 176.22 2gud s TYR 85 N -1.44 0.95 0.00 6.54 2.02 -0.51 -4.99 117.35 119.92 2gud s TYR 85 Ca 0.72 -0.21 0.00 0.00 -0.37 0.00 0.00 57.07 57.21 2gud s TYR 85 Cb -0.35 -0.65 0.00 0.00 -0.40 0.00 0.00 41.96 40.56 2gud s TYR 85 CO 0.41 -0.06 0.00 0.41 -1.57 0.00 0.00 175.55 174.73 2gud n GLY 86 N 3.06 0.37 0.00 0.71 0.00 -1.26 -1.54 105.19 106.53 2gud n GLY 86 Ca -0.16 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.60 2gud n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gud n GLY 87 N 0.00 3.06 0.56 -0.02 0.00 -0.10 -4.78 105.19 103.91 2gud n GLY 87 Ca 0.00 -2.14 0.07 0.00 0.00 0.00 0.00 46.02 43.95 2gud n GLY 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gud n SER 88 N -1.83 2.21 -3.15 1.61 3.41 -1.26 -4.52 113.62 110.09 2gud n SER 88 Ca 0.00 -1.60 -0.18 0.00 -0.26 0.00 0.00 58.87 56.83 2gud n SER 88 Cb 0.00 -0.03 0.14 0.00 -0.26 0.00 0.00 64.21 64.06 2gud n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gud n GLY 89 N 0.75 -2.00 7.00 5.00 0.00 -1.26 -4.93 105.19 109.75 2gud n GLY 89 Ca 0.08 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2gud n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gud n GLY 90 N -1.09 -0.49 3.05 -0.02 0.00 -1.26 -4.56 105.19 100.82 2gud n GLY 90 Ca 0.10 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 2gud n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gud s SER 91 N -4.00 0.72 0.06 1.61 1.04 -0.46 -4.85 113.70 107.82 2gud s SER 91 Ca 0.00 -0.58 -0.13 0.00 0.48 0.00 0.00 55.95 55.73 2gud s SER 91 Cb 0.00 0.06 -0.06 0.00 0.10 0.00 0.00 66.02 66.12 2gud s SER 91 CO 0.00 -0.25 0.43 0.00 0.98 0.00 0.00 173.24 174.40 2gud s ALA 92 N -1.61 3.69 0.02 5.32 0.00 -1.26 -1.23 121.76 126.69 2gud s ALA 92 Ca -0.10 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.60 2gud s ALA 92 Cb -0.09 -2.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.66 2gud s ALA 92 CO -0.01 0.51 -0.04 -0.80 0.00 0.00 0.00 175.76 175.43 2gud s ASN 93 N -1.49 0.35 0.01 0.00 0.01 -0.21 -4.99 114.94 108.61 2gud s ASN 93 Ca 0.30 -0.38 0.05 0.00 -0.71 0.00 0.00 52.86 52.11 2gud s ASN 93 Cb -0.15 0.05 -0.01 0.00 0.41 0.00 0.00 41.25 41.55 2gud s ASN 93 CO 0.16 -0.19 -0.14 0.42 -1.51 0.00 0.00 177.10 175.84 2gud s THR 94 N -1.06 1.11 -0.11 1.60 -4.23 -1.26 -0.99 115.64 110.70 2gud s THR 94 Ca -0.10 -0.74 -0.04 0.00 -1.18 0.00 0.00 61.69 59.63 2gud s THR 94 Cb -0.07 -0.95 -0.03 0.00 1.34 0.00 0.00 72.50 72.78 2gud s THR 94 CO -0.00 0.20 0.03 -0.76 -0.54 0.00 0.00 174.62 173.55 2gud s LEU 95 N -0.61 3.72 0.01 4.79 1.43 0.25 -4.97 118.68 123.30 2gud s LEU 95 Ca 0.04 0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 2gud s LEU 95 Cb -0.06 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 2gud s LEU 95 CO 0.00 0.33 -0.06 -0.44 0.23 0.00 0.00 176.35 176.41 2gud s SER 96 N -0.61 0.71 -1.28 2.29 0.01 -1.26 -1.09 113.70 112.47 2gud s SER 96 Ca 0.10 -0.25 -0.01 0.00 1.31 0.00 0.00 55.95 57.11 2gud s SER 96 Cb -0.12 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.08 2gud s SER 96 CO 0.02 -0.03 0.82 0.59 0.41 0.00 0.00 173.24 175.06 2gud n ASN 97 N 2.44 -1.72 -4.75 2.44 3.02 -0.81 -4.76 115.26 111.12 2gud n ASN 97 Ca -0.16 -0.75 -0.29 0.00 -0.03 0.00 0.00 54.58 53.35 2gud n ASN 97 Cb 0.57 -4.43 -0.07 0.00 -0.61 0.00 0.00 39.78 35.24 2gud n ASN 97 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2gud s VAL 98 N -3.55 1.61 -0.22 2.41 -7.23 -0.59 -0.90 120.40 111.93 2gud s VAL 98 Ca 0.04 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.33 2gud s VAL 98 Cb -0.02 -2.47 0.06 0.00 0.56 0.00 0.00 36.38 34.51 2gud s VAL 98 CO 0.78 0.00 0.02 -0.75 -0.31 0.00 0.00 175.10 174.84 2gud s LYS 99 N -3.91 0.96 0.05 4.82 2.20 -0.18 -4.02 119.74 119.66 2gud s LYS 99 Ca 0.22 -0.68 -0.31 0.00 -0.36 0.00 0.00 55.97 54.85 2gud s LYS 99 Cb 0.03 -2.25 -0.05 0.00 -1.51 0.00 0.00 37.83 34.05 2gud s LYS 99 CO 0.12 -0.67 1.19 0.08 -0.36 0.00 0.00 175.35 175.71 2gud s VAL 100 N 1.69 4.09 -0.24 4.02 1.01 -0.68 -0.96 120.40 129.33 2gud s VAL 100 Ca -0.01 1.50 0.01 0.00 0.00 0.00 0.00 61.98 63.48 2gud s VAL 100 Cb -0.18 -3.96 -0.19 0.00 0.00 0.00 0.00 36.38 32.06 2gud s VAL 100 CO -0.09 0.11 -0.13 -0.38 0.00 0.00 0.00 175.10 174.61 2gud n ILE 101 N 3.97 1.53 -3.52 2.22 2.08 0.53 -4.60 119.36 121.57 2gud n ILE 101 Ca 0.09 -0.59 -0.13 0.00 0.56 0.00 0.00 62.75 62.67 2gud n ILE 101 Cb 0.47 -1.43 -0.04 0.00 -0.75 0.00 0.00 39.64 37.88 2gud n ILE 101 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2gud s GLN 102 N -2.53 1.13 -0.17 0.38 2.00 -0.95 -4.68 119.66 114.84 2gud s GLN 102 Ca -0.32 -0.30 0.00 0.00 -2.00 0.00 0.00 55.36 52.75 2gud s GLN 102 Cb 0.09 0.52 0.04 0.00 0.80 0.00 0.00 33.01 34.45 2gud s GLN 102 CO 0.63 -0.44 -0.09 0.42 -0.50 0.00 0.00 175.29 175.31 2gud s ILE 103 N -2.87 1.43 0.56 -2.34 1.01 -1.26 -1.20 121.20 116.53 2gud s ILE 103 Ca -0.03 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.89 2gud s ILE 103 Cb -0.00 -1.50 0.04 0.00 0.01 0.00 0.00 42.46 41.01 2gud s ILE 103 CO -0.05 0.22 0.40 0.20 0.00 0.00 0.00 174.94 175.71 2gud s ASN 104 N 1.50 4.60 0.00 3.58 0.01 -0.19 -4.98 114.94 119.46 2gud s ASN 104 Ca 0.01 -1.30 0.00 0.00 -0.71 0.00 0.00 52.86 50.86 2gud s ASN 104 Cb -0.15 0.53 0.00 0.00 0.41 0.00 0.00 41.25 42.04 2gud s ASN 104 CO -0.08 -1.15 0.00 0.61 -1.51 0.00 0.00 177.10 174.96 2gud n GLY 105 N -1.79 -0.69 3.03 0.66 0.00 -1.26 -0.45 105.19 104.69 2gud n GLY 105 Ca -0.03 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 2gud n GLY 105 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gud s SER 106 N -4.00 -0.11 0.02 1.61 0.15 -0.52 -4.93 113.70 105.92 2gud s SER 106 Ca 0.00 0.18 -0.15 0.00 0.70 0.00 0.00 55.95 56.68 2gud s SER 106 Cb 0.00 0.27 0.02 0.00 -1.71 0.00 0.00 66.02 64.60 2gud s SER 106 CO 0.00 -0.11 0.33 0.00 1.20 0.00 0.00 173.24 174.66 2gud s ALA 107 N -0.20 -0.77 0.00 5.45 0.00 -1.26 -1.38 121.76 123.60 2gud s ALA 107 Ca -0.03 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2gud s ALA 107 Cb -0.02 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.33 2gud s ALA 107 CO 0.00 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2gud n GLY 108 N 0.82 3.01 0.21 0.00 0.00 -1.26 -4.80 105.19 103.18 2gud n GLY 108 Ca -0.20 -0.35 0.09 0.00 0.00 0.00 0.00 46.02 45.56 2gud n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gud h ASP 109 N 0.00 0.00 -2.64 1.61 3.32 -1.90 -2.96 116.42 113.85 2gud h ASP 109 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 2gud h ASP 109 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 2gud h ASP 109 CO 0.00 0.26 -0.52 -0.31 -1.72 0.00 0.00 179.24 176.96 2gud s TYR 110 N -3.66 1.81 -0.61 4.55 2.02 -1.26 -2.19 117.35 118.01 2gud s TYR 110 Ca 0.00 -1.22 -0.23 0.00 -0.37 0.00 0.00 57.07 55.25 2gud s TYR 110 Cb 0.11 -1.24 0.05 0.00 -0.40 0.00 0.00 41.96 40.48 2gud s TYR 110 CO 0.65 -0.20 0.97 -1.17 -1.57 0.00 0.00 175.55 174.23 2gud s LEU 111 N -3.66 4.19 0.05 -1.29 2.96 -0.28 -4.45 118.68 116.20 2gud s LEU 111 Ca 0.21 -0.67 -0.18 0.00 -0.22 0.00 0.00 54.13 53.27 2gud s LEU 111 Cb 0.02 -2.61 -0.15 0.00 0.50 0.00 0.00 46.19 43.96 2gud s LEU 111 CO 0.13 -1.36 1.31 0.44 -1.32 0.00 0.00 176.35 175.54 2gud h ASP 112 N 9.47 0.54 -5.03 3.68 5.19 -1.53 -0.08 116.42 128.66 2gud h ASP 112 Ca -0.28 -0.55 -0.06 0.00 -0.62 0.00 0.00 57.03 55.53 2gud h ASP 112 Cb 1.07 -0.15 -0.15 0.00 0.18 0.00 0.00 39.33 40.27 2gud h ASP 112 CO 1.14 0.98 0.01 -0.94 -3.12 0.00 0.00 179.24 177.31 2gud s SER 113 N -6.41 -0.38 -0.01 6.45 1.04 -0.85 -3.60 113.70 109.93 2gud s SER 113 Ca -0.13 0.04 0.06 0.00 0.48 0.00 0.00 55.95 56.39 2gud s SER 113 Cb 0.06 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 2gud s SER 113 CO 0.79 -0.76 -0.19 -0.76 0.98 0.00 0.00 173.24 173.31 2gud s LEU 114 N -2.20 2.04 -0.33 2.42 1.43 -1.26 -1.44 118.68 119.34 2gud s LEU 114 Ca -0.03 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2gud s LEU 114 Cb -0.00 -0.99 0.07 0.00 0.03 0.00 0.00 46.19 45.30 2gud s LEU 114 CO -0.05 0.24 0.04 -0.62 0.23 0.00 0.00 176.35 176.19 2gud s ASP 115 N -0.47 4.92 -0.24 2.29 -1.08 0.40 -4.92 116.67 117.57 2gud s ASP 115 Ca 0.07 -1.59 -0.12 0.00 -0.52 0.00 0.00 52.55 50.39 2gud s ASP 115 Cb -0.07 -1.71 -0.05 0.00 -1.46 0.00 0.00 42.92 39.63 2gud s ASP 115 CO -0.01 -0.34 0.24 -0.63 0.52 0.00 0.00 175.17 174.96 2gud s ILE 116 N 1.16 5.30 -0.20 4.11 -1.09 -1.26 -1.02 121.20 128.20 2gud s ILE 116 Ca -0.00 0.34 -0.06 0.00 -2.23 0.00 0.00 60.65 58.71 2gud s ILE 116 Cb -0.20 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.07 2gud s ILE 116 CO -0.03 0.30 0.01 -0.31 -1.23 0.00 0.00 174.94 173.68 2gud s TYR 117 N 1.27 3.08 0.14 3.97 1.51 -0.34 -5.02 117.35 121.96 2gud s TYR 117 Ca 0.11 -0.33 -0.17 0.00 -1.01 0.00 0.00 57.07 55.68 2gud s TYR 117 Cb -0.14 -2.08 0.03 0.00 -0.11 0.00 0.00 41.96 39.66 2gud s TYR 117 CO 0.06 -0.15 0.44 1.52 -1.11 0.00 0.00 175.55 176.31 2gud s TYR 118 N 0.86 -0.19 -0.17 2.71 1.13 -1.26 -0.35 117.35 120.08 2gud s TYR 118 Ca 0.01 -0.12 -0.10 0.00 -1.41 0.00 0.00 57.07 55.45 2gud s TYR 118 Cb -0.14 0.30 -0.05 0.00 -1.10 0.00 0.00 41.96 40.97 2gud s TYR 118 CO 0.02 -0.75 0.17 -1.21 -2.51 0.00 0.00 175.55 171.27 2gud s GLU 119 N -3.82 4.08 -0.30 -3.49 2.02 -0.14 -4.92 118.70 112.12 2gud s GLU 119 Ca 0.04 -0.13 -0.14 0.00 0.02 0.00 0.00 54.97 54.77 2gud s GLU 119 Cb 0.01 -3.38 -0.03 0.00 0.10 0.00 0.00 34.13 30.83 2gud s GLU 119 CO -0.10 0.37 0.33 -1.14 0.02 0.00 0.00 175.26 174.75 2gud s GLN 120 N 0.12 3.79 0.00 1.61 2.00 -1.26 -1.01 119.66 124.91 2gud s GLN 120 Ca 0.11 -0.24 0.22 0.00 -2.00 0.00 0.00 55.36 53.45 2gud s GLN 120 Cb -0.12 -3.73 0.17 0.00 0.80 0.00 0.00 33.01 30.14 2gud s GLN 120 CO 0.01 -0.37 1.19 0.66 -0.50 0.00 0.00 175.29 176.27