#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gla s TRP 42 N 0.00 3.52 -0.40 3.69 -0.00 -1.26 -4.94 118.94 119.55 3gla s TRP 42 Ca 0.00 0.94 0.03 0.00 -0.00 0.00 0.00 56.10 57.06 3gla s TRP 42 Cb 0.00 -2.59 0.11 0.00 -0.00 0.00 0.00 33.47 30.99 3gla s TRP 42 CO 0.00 0.15 0.14 0.08 -0.00 0.00 0.00 176.95 177.32 3gla s VAL 43 N 0.67 2.01 0.25 5.86 1.01 -1.26 -4.59 120.40 124.35 3gla s VAL 43 Ca 0.27 -2.49 -0.30 0.00 0.00 0.00 0.00 61.98 59.46 3gla s VAL 43 Cb -0.15 -2.45 -0.10 0.00 0.00 0.00 0.00 36.38 33.68 3gla s VAL 43 CO 0.11 -0.71 1.35 -2.84 0.00 0.00 0.00 175.10 173.01 3gla s PRO 44 N 0.61 4.35 0.32 2.72 0.02 -1.26 -4.94 135.00 136.81 3gla s PRO 44 Ca 0.13 2.16 -0.27 0.00 0.02 0.00 0.00 61.00 63.05 3gla s PRO 44 Cb -0.21 -3.14 -0.09 0.00 0.02 0.00 0.00 34.50 31.07 3gla s PRO 44 CO -0.07 -0.28 1.01 1.03 -0.33 0.00 0.00 177.00 178.36 3gla s ARG 45 N -0.59 4.53 0.00 5.54 0.52 -1.26 -4.80 118.95 122.89 3gla s ARG 45 Ca 0.56 1.53 0.02 0.00 -0.52 0.00 0.00 55.73 57.32 3gla s ARG 45 Cb -0.39 -2.91 -0.01 0.00 0.52 0.00 0.00 34.95 32.16 3gla s ARG 45 CO 0.43 0.19 -0.07 0.08 0.02 0.00 0.00 175.30 175.95 3gla s VAL 46 N -1.43 0.58 0.12 3.52 1.01 -1.26 -0.77 120.40 122.16 3gla s VAL 46 Ca 0.49 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 62.12 3gla s VAL 46 Cb -0.24 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 3gla s VAL 46 CO 0.31 0.09 -0.04 -1.81 0.00 0.00 0.00 175.10 173.65 3gla s ASP 47 N -0.36 4.71 -0.02 3.32 1.01 0.45 -4.95 116.67 120.83 3gla s ASP 47 Ca 0.01 -0.31 0.01 0.00 0.71 0.00 0.00 52.55 52.97 3gla s ASP 47 Cb -0.04 -1.01 0.01 0.00 1.01 0.00 0.00 42.92 42.90 3gla s ASP 47 CO -0.00 0.16 -0.02 -0.63 0.21 0.00 0.00 175.17 174.89 3gla s ILE 48 N -1.37 0.25 -0.00 0.77 1.01 -1.26 0.07 121.20 120.67 3gla s ILE 48 Ca 0.24 -0.03 0.06 0.00 0.00 0.00 0.00 60.65 60.92 3gla s ILE 48 Cb -0.11 -0.29 -0.02 0.00 0.01 0.00 0.00 42.46 42.06 3gla s ILE 48 CO 0.16 0.13 -0.17 -0.75 0.00 0.00 0.00 174.94 174.31 3gla s LYS 49 N 0.57 1.36 -0.32 2.79 2.20 0.30 -4.97 119.74 121.67 3gla s LYS 49 Ca -0.06 -0.68 -0.06 0.00 -0.36 0.00 0.00 55.97 54.81 3gla s LYS 49 Cb -0.09 -1.34 0.03 0.00 -1.51 0.00 0.00 37.83 34.92 3gla s LYS 49 CO -0.01 0.36 0.08 -2.00 -0.36 0.00 0.00 175.35 173.43 3gla s GLU 50 N -0.59 2.82 0.69 4.03 2.12 -1.26 -0.23 118.70 126.27 3gla s GLU 50 Ca 0.06 -1.04 0.02 0.00 0.36 0.00 0.00 54.97 54.38 3gla s GLU 50 Cb -0.07 -3.39 0.12 0.00 0.26 0.00 0.00 34.13 31.05 3gla s GLU 50 CO -0.00 -0.56 0.95 -1.21 -0.54 0.00 0.00 175.26 173.90 3gla s GLU 51 N 1.43 1.80 0.16 4.30 2.02 0.26 -5.00 118.70 123.68 3gla s GLU 51 Ca 0.00 -1.31 -0.10 0.00 0.02 0.00 0.00 54.97 53.58 3gla s GLU 51 Cb -0.18 -2.42 0.03 0.00 0.10 0.00 0.00 34.13 31.66 3gla s GLU 51 CO 0.02 -1.32 1.59 0.28 0.02 0.00 0.00 175.26 175.85 3gla h VAL 52 N -0.36 1.27 -0.01 2.63 2.07 -2.02 -3.25 116.25 116.58 3gla h VAL 52 Ca -0.34 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 65.96 3gla h VAL 52 Cb 1.27 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3gla h VAL 52 CO 0.39 0.43 -0.38 0.59 0.02 0.00 0.00 177.57 178.62 3gla n ASN 53 N -4.20 1.55 -3.64 0.57 5.03 -1.26 -4.92 115.26 108.39 3gla n ASN 53 Ca 0.01 -1.27 -0.14 0.00 0.87 0.00 0.00 54.58 54.05 3gla n ASN 53 Cb 0.38 0.53 -0.06 0.00 -1.02 0.00 0.00 39.78 39.60 3gla n ASN 53 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3gla s HIS 54 N -1.98 -0.36 0.21 3.10 3.76 -1.23 -0.63 115.29 118.16 3gla s HIS 54 Ca 0.13 0.45 -0.01 0.00 -0.15 0.00 0.00 55.06 55.48 3gla s HIS 54 Cb 0.13 0.26 -0.04 0.00 1.11 0.00 0.00 32.58 34.04 3gla s HIS 54 CO 0.44 -0.56 0.40 -0.06 -0.85 0.00 0.00 174.74 174.11 3gla s PHE 55 N -2.01 3.48 -0.04 1.40 0.40 0.16 0.93 117.98 122.29 3gla s PHE 55 Ca -0.08 0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.64 3gla s PHE 55 Cb -0.02 -1.88 0.02 0.00 0.51 0.00 0.00 43.02 41.65 3gla s PHE 55 CO 0.01 0.36 -0.06 0.08 0.70 0.00 0.00 175.22 176.32 3gla s VAL 56 N -1.88 0.62 -0.10 -0.44 1.01 0.68 -0.51 120.40 119.78 3gla s VAL 56 Ca 0.39 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.19 3gla s VAL 56 Cb -0.11 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 3gla s VAL 56 CO 0.29 0.24 -0.12 -0.22 0.00 0.00 0.00 175.10 175.28 3gla s LEU 57 N 0.76 2.81 -0.15 3.92 0.20 0.11 -0.54 118.68 125.79 3gla s LEU 57 Ca -0.11 -0.24 0.02 0.00 0.69 0.00 0.00 54.13 54.49 3gla s LEU 57 Cb -0.14 -1.62 0.01 0.00 -0.43 0.00 0.00 46.19 44.02 3gla s LEU 57 CO 0.01 0.24 -0.20 -0.31 -0.29 0.00 0.00 176.35 175.80 3gla s TYR 58 N -0.11 2.72 -0.06 5.38 2.02 0.11 0.35 117.35 127.76 3gla s TYR 58 Ca -0.01 -1.31 0.06 0.00 -0.37 0.00 0.00 57.07 55.44 3gla s TYR 58 Cb -0.14 -1.86 -0.01 0.00 -0.40 0.00 0.00 41.96 39.56 3gla s TYR 58 CO 0.03 -0.61 -0.24 0.00 -1.57 0.00 0.00 175.55 173.16 3gla s ALA 59 N 0.91 2.07 -0.50 3.71 0.00 0.67 -0.41 121.76 128.21 3gla s ALA 59 Ca -0.04 -1.00 -0.22 0.00 0.00 0.00 0.00 51.96 50.70 3gla s ALA 59 Cb -0.15 -0.65 0.04 0.00 0.00 0.00 0.00 23.12 22.36 3gla s ALA 59 CO -0.03 0.40 0.79 -0.51 0.00 0.00 0.00 175.76 176.41 3gla s ASP 60 N -0.13 6.33 -0.51 0.00 1.11 0.05 -0.54 116.67 122.98 3gla s ASP 60 Ca -0.04 -0.43 0.07 0.00 0.18 0.00 0.00 52.55 52.34 3gla s ASP 60 Cb -0.13 -2.38 0.32 0.00 1.07 0.00 0.00 42.92 41.80 3gla s ASP 60 CO 0.04 -1.02 0.82 0.18 1.18 0.00 0.00 175.17 176.36 3gla n LEU 61 N 6.84 2.96 -4.77 1.23 4.77 0.23 -4.17 117.00 124.09 3gla n LEU 61 Ca -0.00 -5.37 -0.40 0.00 -0.03 0.00 0.00 56.01 50.21 3gla n LEU 61 Cb 0.47 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 3gla n LEU 61 CO 0.59 2.26 0.93 -2.16 -1.33 0.00 0.00 177.39 177.68 3gla s PRO 62 N -2.81 4.22 0.00 3.23 0.04 -1.15 -3.24 135.00 135.30 3gla s PRO 62 Ca 0.44 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.56 3gla s PRO 62 Cb 0.27 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.89 3gla s PRO 62 CO -0.10 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.10 3gla n GLY 63 N 0.77 0.79 3.05 0.56 0.00 -1.26 -5.02 105.19 104.08 3gla n GLY 63 Ca 0.02 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 3gla n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gla s ILE 64 N -2.00 1.12 0.29 -0.61 1.01 -1.20 -4.74 121.20 115.08 3gla s ILE 64 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 3gla s ILE 64 Cb 0.00 -1.00 -0.10 0.00 0.01 0.00 0.00 42.46 41.37 3gla s ILE 64 CO 0.00 0.34 1.27 -1.81 0.00 0.00 0.00 174.94 174.74 3gla s ASP 65 N 0.37 6.90 0.45 3.58 -0.00 -1.26 -4.85 116.67 121.86 3gla s ASP 65 Ca -0.09 2.54 0.16 0.00 -0.00 0.00 0.00 52.55 55.17 3gla s ASP 65 Cb -0.13 -2.64 1.10 0.00 -0.00 0.00 0.00 42.92 41.26 3gla s ASP 65 CO 0.02 -0.45 1.96 -0.65 -0.00 0.00 0.00 175.17 176.05 3gla h PRO 66 N 3.90 0.34 0.00 8.23 0.11 -1.95 0.43 132.00 143.06 3gla h PRO 66 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3gla h PRO 66 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3gla h PRO 66 CO 0.68 0.22 0.00 0.66 -0.21 0.00 0.00 178.00 179.36 3gla h SER 67 N 0.35 0.00 -0.10 -2.05 4.64 -2.01 -1.37 113.55 113.01 3gla h SER 67 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3gla h SER 67 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3gla h SER 67 CO -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.88 3gla n GLN 68 N -2.53 1.72 -3.63 4.77 1.13 0.14 -4.82 117.38 114.16 3gla n GLN 68 Ca 0.01 -1.06 -0.36 0.00 -1.94 0.00 0.00 57.00 53.64 3gla n GLN 68 Cb 0.21 -1.43 -0.09 0.00 0.11 0.00 0.00 30.24 29.04 3gla n GLN 68 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3gla s ILE 69 N -1.88 5.35 -0.22 5.09 1.01 -0.52 -4.64 121.20 125.40 3gla s ILE 69 Ca 0.35 0.27 -0.19 0.00 0.00 0.00 0.00 60.65 61.08 3gla s ILE 69 Cb 0.19 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 3gla s ILE 69 CO 0.29 0.36 0.57 -0.70 0.00 0.00 0.00 174.94 175.46 3gla s GLU 70 N 0.89 4.16 -0.11 2.79 2.12 0.77 -4.92 118.70 124.40 3gla s GLU 70 Ca 0.10 0.47 0.01 0.00 0.36 0.00 0.00 54.97 55.91 3gla s GLU 70 Cb -0.13 -3.60 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 3gla s GLU 70 CO 0.03 -0.25 -0.14 0.08 -0.54 0.00 0.00 175.26 174.44 3gla s VAL 71 N 1.98 2.96 -0.01 3.70 1.01 -1.26 -1.00 120.40 127.78 3gla s VAL 71 Ca 0.25 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 3gla s VAL 71 Cb -0.16 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.02 3gla s VAL 71 CO 0.09 0.54 0.20 -1.10 0.00 0.00 0.00 175.10 174.84 3gla s GLN 72 N 0.15 0.52 -0.04 2.72 -0.21 -0.69 -5.00 119.66 117.11 3gla s GLN 72 Ca -0.08 -0.26 0.00 0.00 0.02 0.00 0.00 55.36 55.04 3gla s GLN 72 Cb -0.15 0.23 0.03 0.00 1.00 0.00 0.00 33.01 34.11 3gla s GLN 72 CO 0.05 -0.13 -0.01 1.41 -2.12 0.00 0.00 175.29 174.49 3gla s MET 73 N -1.22 0.52 -0.09 2.91 1.75 -1.26 0.36 119.30 122.28 3gla s MET 73 Ca -0.13 0.02 -0.09 0.00 -1.25 0.00 0.00 55.69 54.25 3gla s MET 73 Cb -0.06 -0.68 0.02 0.00 2.84 0.00 0.00 34.83 36.95 3gla s MET 73 CO 0.02 -0.14 0.24 0.34 -0.65 0.00 0.00 175.02 174.83 3gla s ASP 74 N 1.15 -0.24 -1.46 1.11 2.15 -0.78 -4.89 116.67 113.71 3gla s ASP 74 Ca -0.08 0.46 -0.03 0.00 0.43 0.00 0.00 52.55 53.32 3gla s ASP 74 Cb -0.14 0.49 0.02 0.00 -0.30 0.00 0.00 42.92 42.98 3gla s ASP 74 CO -0.02 -0.11 0.31 0.29 -0.17 0.00 0.00 175.17 175.48 3gla n LYS 75 N 2.83 -3.29 -1.00 4.34 5.02 -1.26 -0.72 118.16 124.08 3gla n LYS 75 Ca -0.13 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 3gla n LYS 75 Cb 0.58 -5.53 0.00 0.00 -0.02 0.00 0.00 35.03 30.06 3gla n LYS 75 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gla n GLY 76 N -1.19 0.50 3.16 0.72 0.00 -1.26 -4.99 105.19 102.14 3gla n GLY 76 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3gla n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gla s ILE 77 N -2.07 2.42 -0.05 -0.61 1.01 0.10 -0.73 121.20 121.27 3gla s ILE 77 Ca 0.00 -0.92 -0.22 0.00 0.00 0.00 0.00 60.65 59.51 3gla s ILE 77 Cb 0.00 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 3gla s ILE 77 CO 0.00 0.43 0.66 -0.22 0.00 0.00 0.00 174.94 175.81 3gla s LEU 78 N 1.32 4.34 -0.03 2.97 2.96 0.40 -1.86 118.68 128.77 3gla s LEU 78 Ca 0.03 1.16 0.07 0.00 -0.22 0.00 0.00 54.13 55.17 3gla s LEU 78 Cb -0.14 -3.02 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 3gla s LEU 78 CO -0.09 -0.05 -0.24 -0.55 -1.32 0.00 0.00 176.35 174.10 3gla s SER 79 N 0.52 2.87 -0.02 3.68 0.15 0.16 0.10 113.70 121.16 3gla s SER 79 Ca 0.35 -0.46 0.07 0.00 0.70 0.00 0.00 55.95 56.61 3gla s SER 79 Cb -0.18 -0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 63.60 3gla s SER 79 CO 0.17 0.27 -0.23 0.27 1.20 0.00 0.00 173.24 174.92 3gla s ILE 80 N -0.38 1.83 0.04 6.45 -4.36 0.48 -1.71 121.20 123.55 3gla s ILE 80 Ca 0.04 -0.98 -0.16 0.00 -0.26 0.00 0.00 60.65 59.28 3gla s ILE 80 Cb -0.11 -1.53 0.03 0.00 1.25 0.00 0.00 42.46 42.10 3gla s ILE 80 CO 0.01 0.52 0.37 0.00 0.24 0.00 0.00 174.94 176.07 3gla s ARG 81 N -0.47 0.86 0.00 0.37 1.70 -0.17 -1.09 118.95 120.16 3gla s ARG 81 Ca 0.07 -0.39 0.00 0.00 -0.47 0.00 0.00 55.73 54.93 3gla s ARG 81 Cb -0.10 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.66 3gla s ARG 81 CO -0.00 -0.28 0.00 0.41 -1.08 0.00 0.00 175.30 174.34 3gla n GLY 82 N 0.60 -0.74 3.39 3.88 0.00 -0.74 -0.16 105.19 111.41 3gla n GLY 82 Ca -0.19 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 3gla n GLY 82 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gla s GLU 83 N -1.17 0.56 -0.03 1.61 2.12 -1.26 -0.40 118.70 120.14 3gla s GLU 83 Ca 0.00 0.70 0.07 0.00 0.36 0.00 0.00 54.97 56.10 3gla s GLU 83 Cb 0.00 0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.63 3gla s GLU 83 CO 0.00 -0.07 -0.26 0.50 -0.54 0.00 0.00 175.26 174.89 3gla s ARG 84 N 0.34 2.25 0.47 4.30 3.52 -0.15 -4.93 118.95 124.75 3gla s ARG 84 Ca -0.01 -0.92 -0.01 0.00 -0.13 0.00 0.00 55.73 54.66 3gla s ARG 84 Cb -0.04 -2.07 -0.00 0.00 -1.56 0.00 0.00 34.95 31.27 3gla s ARG 84 CO -0.00 0.50 0.71 0.15 -0.81 0.00 0.00 175.30 175.84 3gla s LYS 85 N -0.46 3.09 0.04 5.12 -0.14 -1.26 -0.44 119.74 125.68 3gla s LYS 85 Ca 0.05 -0.36 0.02 0.00 -1.36 0.00 0.00 55.97 54.32 3gla s LYS 85 Cb -0.11 -2.51 -0.02 0.00 -1.68 0.00 0.00 37.83 33.51 3gla s LYS 85 CO 0.01 -0.31 -0.08 0.45 -0.76 0.00 0.00 175.35 174.65 3gla s SER 86 N -4.22 0.89 0.64 2.83 0.15 -1.26 -4.87 113.70 107.86 3gla s SER 86 Ca 0.49 -0.49 0.42 0.00 0.70 0.00 0.00 55.95 57.07 3gla s SER 86 Cb -0.10 0.01 2.22 0.00 -1.71 0.00 0.00 66.02 66.44 3gla s SER 86 CO 0.39 -0.16 2.29 -0.33 1.20 0.00 0.00 173.24 176.64 3gla h GLU 87 N 4.70 0.00 0.00 5.44 3.07 -1.99 -1.82 114.58 123.98 3gla h GLU 87 Ca -0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 3gla h GLU 87 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 3gla h GLU 87 CO 0.42 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.90 3gla n SER 88 N -3.05 0.54 0.03 1.42 3.41 -1.26 -1.48 113.62 113.22 3gla n SER 88 Ca -0.02 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 3gla n SER 88 Cb 0.11 -0.73 0.45 0.00 -0.26 0.00 0.00 64.21 63.79 3gla n SER 88 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gla n SER 89 N -2.06 0.36 -4.62 4.04 3.41 -0.68 -4.06 113.62 110.01 3gla n SER 89 Ca 0.04 0.34 -0.35 0.00 -0.26 0.00 0.00 58.87 58.64 3gla n SER 89 Cb 0.28 -0.36 -0.10 0.00 -0.26 0.00 0.00 64.21 63.77 3gla n SER 89 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gla s THR 90 N -3.04 4.83 -1.30 6.66 2.01 -0.55 -4.49 115.64 119.76 3gla s THR 90 Ca 0.12 -0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.07 3gla s THR 90 Cb 0.17 -3.19 0.01 0.00 0.01 0.00 0.00 72.50 69.49 3gla s THR 90 CO 0.60 0.43 0.95 -0.62 -0.69 0.00 0.00 174.62 175.29 3gla n GLU 91 N 3.76 -6.26 -0.02 4.92 -0.58 -1.26 -4.83 120.64 116.36 3gla n GLU 91 Ca -0.16 0.75 0.03 0.00 -0.42 0.00 0.00 57.16 57.36 3gla n GLU 91 Cb 0.52 -5.63 0.40 0.00 -0.57 0.00 0.00 31.44 26.16 3gla n GLU 91 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 3gla h THR 92 N -2.06 1.12 0.00 2.62 2.02 -1.79 -0.74 112.91 114.07 3gla h THR 92 Ca -0.59 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.32 3gla h THR 92 Cb 1.35 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 3gla h THR 92 CO 0.55 0.13 0.00 1.05 0.37 0.00 0.00 175.52 177.61 3gla h GLU 93 N 0.59 0.00 -0.00 6.66 9.09 -1.89 -0.55 114.58 128.48 3gla h GLU 93 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.57 3gla h GLU 93 Cb -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.07 3gla h GLU 93 CO -0.03 0.00 -0.27 0.54 0.05 0.00 0.00 179.01 179.30 3gla n ARG 94 N -2.39 0.52 -2.77 1.06 1.74 -0.29 -4.83 116.66 109.70 3gla n ARG 94 Ca 0.00 -0.27 -0.41 0.00 -0.77 0.00 0.00 57.85 56.40 3gla n ARG 94 Cb 0.14 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.05 3gla n ARG 94 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3gla s PHE 95 N -2.66 3.70 -1.77 -1.55 0.08 -0.22 -4.91 117.98 110.64 3gla s PHE 95 Ca 0.21 1.66 0.24 0.00 0.12 0.00 0.00 56.93 59.16 3gla s PHE 95 Cb 0.19 -3.05 0.20 0.00 -0.57 0.00 0.00 43.02 39.80 3gla s PHE 95 CO 0.56 0.08 1.22 -1.13 -0.10 0.00 0.00 175.22 175.84 3gla n SER 96 N 3.53 1.54 -3.67 1.36 3.41 -1.26 -4.86 113.62 113.66 3gla n SER 96 Ca 0.04 -1.21 -0.09 0.00 -0.26 0.00 0.00 58.87 57.35 3gla n SER 96 Cb 0.51 0.44 -0.09 0.00 -0.26 0.00 0.00 64.21 64.80 3gla n SER 96 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3gla s ARG 97 N -2.58 0.45 -0.07 4.33 3.52 -1.26 -5.13 118.95 118.21 3gla s ARG 97 Ca 0.18 0.98 -0.00 0.00 -0.13 0.00 0.00 55.73 56.76 3gla s ARG 97 Cb 0.18 0.15 0.02 0.00 -1.56 0.00 0.00 34.95 33.74 3gla s ARG 97 CO 0.60 -0.18 -0.04 0.42 -0.81 0.00 0.00 175.30 175.29 3gla s ILE 98 N 1.82 0.66 0.00 4.11 1.01 -1.26 -4.97 121.20 122.57 3gla s ILE 98 Ca -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.46 3gla s ILE 98 Cb -0.09 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.66 3gla s ILE 98 CO -0.15 0.29 0.00 -1.84 0.00 0.00 0.00 174.94 173.24 3gla n GLU 99 N 4.65 0.00 -2.44 2.79 0.28 -1.26 -5.09 120.64 119.57 3gla n GLU 99 Ca -0.15 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.45 3gla n GLU 99 Cb 0.50 -0.07 -0.04 0.00 1.43 0.00 0.00 31.44 33.26 3gla n GLU 99 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3gla s ARG 100 N 0.00 4.60 0.31 3.44 0.52 -1.26 -4.98 118.95 121.58 3gla s ARG 100 Ca 0.00 1.83 -0.08 0.00 -0.52 0.00 0.00 55.73 56.97 3gla s ARG 100 Cb 0.00 -3.19 -0.06 0.00 0.52 0.00 0.00 34.95 32.22 3gla s ARG 100 CO 0.00 0.15 0.61 1.03 0.02 0.00 0.00 175.30 177.11 3gla s ARG 101 N -1.27 3.72 0.00 3.54 1.81 -1.26 -5.05 118.95 120.44 3gla s ARG 101 Ca 0.46 0.20 0.00 0.00 -1.72 0.00 0.00 55.73 54.67 3gla s ARG 101 Cb -0.32 -2.58 0.00 0.00 -0.45 0.00 0.00 34.95 31.60 3gla s ARG 101 CO 0.41 0.17 0.00 2.48 -0.68 0.00 0.00 175.30 177.68 3gla n TYR 102 N -0.84 -0.92 -1.69 -0.53 0.18 -1.26 -4.96 117.16 107.14 3gla n TYR 102 Ca -0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3gla n TYR 102 Cb 0.54 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.50 3gla n TYR 102 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3gla n GLY 103 N 0.00 -1.04 3.86 -7.48 0.00 0.42 -4.08 105.19 96.86 3gla n GLY 103 Ca 0.00 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 3gla n GLY 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gla s SER 104 N -4.00 6.63 0.05 1.61 1.04 -1.26 -0.98 113.70 116.80 3gla s SER 104 Ca 0.00 1.30 0.00 0.00 0.48 0.00 0.00 55.95 57.73 3gla s SER 104 Cb 0.00 -2.39 -0.03 0.00 0.10 0.00 0.00 66.02 63.69 3gla s SER 104 CO 0.00 -0.39 -0.04 0.72 0.98 0.00 0.00 173.24 174.50 3gla s PHE 105 N -2.32 0.56 -0.30 5.02 -0.12 0.47 -4.09 117.98 117.20 3gla s PHE 105 Ca 0.54 -0.87 -0.08 0.00 -0.05 0.00 0.00 56.93 56.47 3gla s PHE 105 Cb -0.10 -0.38 0.16 0.00 -0.63 0.00 0.00 43.02 42.07 3gla s PHE 105 CO 0.27 -0.26 0.70 -1.58 -0.05 0.00 0.00 175.22 174.29 3gla s HIS 106 N -3.11 -1.30 0.11 3.49 2.46 -1.26 -1.79 115.29 113.90 3gla s HIS 106 Ca 0.02 1.90 0.08 0.00 0.47 0.00 0.00 55.06 57.53 3gla s HIS 106 Cb 0.02 0.65 -0.04 0.00 -0.13 0.00 0.00 32.58 33.09 3gla s HIS 106 CO -0.06 -0.67 -0.19 1.03 -2.47 0.00 0.00 174.74 172.38 3gla s ARG 107 N 2.83 1.12 -0.01 2.88 0.52 -0.25 -4.98 118.95 121.07 3gla s ARG 107 Ca 0.03 -1.20 0.05 0.00 -0.52 0.00 0.00 55.73 54.09 3gla s ARG 107 Cb -0.12 -1.30 -0.01 0.00 0.52 0.00 0.00 34.95 34.04 3gla s ARG 107 CO -0.19 0.29 -0.16 1.03 0.02 0.00 0.00 175.30 176.29 3gla s ARG 108 N -2.13 1.29 -0.25 3.54 0.52 -1.26 -0.38 118.95 120.28 3gla s ARG 108 Ca 0.08 -0.58 -0.02 0.00 -0.52 0.00 0.00 55.73 54.68 3gla s ARG 108 Cb -0.09 -1.25 0.08 0.00 0.52 0.00 0.00 34.95 34.21 3gla s ARG 108 CO 0.04 0.34 0.06 -0.06 0.02 0.00 0.00 175.30 175.71 3gla s PHE 109 N -0.39 1.23 0.25 -0.53 0.40 0.29 -4.95 117.98 114.27 3gla s PHE 109 Ca 0.06 -1.19 -0.30 0.00 -0.60 0.00 0.00 56.93 54.90 3gla s PHE 109 Cb -0.06 -1.27 -0.10 0.00 0.51 0.00 0.00 43.02 42.10 3gla s PHE 109 CO -0.01 -0.73 1.46 0.00 0.70 0.00 0.00 175.22 176.65 3gla s ALA 110 N 1.79 3.65 0.33 5.36 0.00 -1.26 -0.45 121.76 131.17 3gla s ALA 110 Ca 0.04 1.36 0.10 0.00 0.00 0.00 0.00 51.96 53.45 3gla s ALA 110 Cb -0.17 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 19.32 3gla s ALA 110 CO -0.17 -0.77 -0.09 -0.51 0.00 0.00 0.00 175.76 174.22 3gla s LEU 111 N -0.30 2.76 0.77 0.00 1.43 0.09 -4.91 118.68 118.53 3gla s LEU 111 Ca 0.60 -1.11 -0.14 0.00 -1.03 0.00 0.00 54.13 52.45 3gla s LEU 111 Cb -0.43 -1.11 0.06 0.00 0.03 0.00 0.00 46.19 44.74 3gla s LEU 111 CO 0.43 -0.15 1.21 -2.65 0.23 0.00 0.00 176.35 175.41 3gla n PRO 112 N -0.79 0.39 0.30 1.29 -0.02 -1.26 -4.84 135.00 130.07 3gla n PRO 112 Ca -0.05 0.20 0.18 0.00 -2.02 0.00 0.00 63.50 61.82 3gla n PRO 112 Cb 0.62 -2.44 0.96 0.00 -0.02 0.00 0.00 33.50 32.62 3gla n PRO 112 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3gla h ASP 113 N -0.58 0.00 0.61 2.55 3.45 -1.99 0.22 116.42 120.68 3gla h ASP 113 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 3gla h ASP 113 Cb 1.31 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.08 3gla h ASP 113 CO 0.47 0.00 0.00 0.77 -1.57 0.00 0.00 179.24 178.91 3gla h SER 114 N 0.00 0.00 -3.86 6.45 4.64 -1.95 -3.44 113.55 115.39 3gla h SER 114 Ca 0.02 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.85 3gla h SER 114 Cb 0.41 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3gla h SER 114 CO -0.00 0.00 0.43 0.00 -0.87 0.00 0.00 176.83 176.39 3gla s ALA 115 N -3.73 3.27 -0.36 5.18 0.00 0.76 0.16 121.76 127.04 3gla s ALA 115 Ca -0.00 0.77 -0.06 0.00 0.00 0.00 0.00 51.96 52.67 3gla s ALA 115 Cb 0.10 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 19.99 3gla s ALA 115 CO 0.45 -0.12 0.14 0.34 0.00 0.00 0.00 175.76 176.58 3gla s ASP 116 N -1.21 5.33 0.49 0.00 3.68 0.25 -4.74 116.67 120.47 3gla s ASP 116 Ca 0.49 -1.38 0.15 0.00 2.13 0.00 0.00 52.55 53.95 3gla s ASP 116 Cb -0.27 -1.87 1.19 0.00 -1.45 0.00 0.00 42.92 40.52 3gla s ASP 116 CO 0.34 -0.40 2.10 0.00 0.13 0.00 0.00 175.17 177.34 3gla h ALA 117 N 8.21 2.01 0.00 3.66 0.00 -1.91 -2.43 119.26 128.81 3gla h ALA 117 Ca -0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3gla h ALA 117 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3gla h ALA 117 CO 0.64 -0.05 0.00 -0.44 0.00 0.00 0.00 179.25 179.41 3gla h ASP 118 N 0.14 0.00 -0.64 0.00 3.45 -1.91 -2.90 116.42 114.55 3gla h ASP 118 Ca 0.09 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.55 3gla h ASP 118 Cb 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 3gla h ASP 118 CO -0.01 0.00 0.00 0.61 -1.57 0.00 0.00 179.24 178.27 3gla n GLY 119 N 0.56 2.45 3.76 2.75 0.00 -0.91 -5.01 105.19 108.79 3gla n GLY 119 Ca 0.03 -0.73 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 3gla n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gla s ILE 120 N -1.04 2.43 0.24 -0.61 1.01 -1.10 -4.46 121.20 117.67 3gla s ILE 120 Ca 0.44 0.37 0.05 0.00 0.00 0.00 0.00 60.65 61.50 3gla s ILE 120 Cb 0.23 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 3gla s ILE 120 CO 0.31 0.04 -0.03 0.42 0.00 0.00 0.00 174.94 175.67 3gla s THR 121 N -1.28 1.26 -0.13 2.92 -4.23 -0.39 -4.98 115.64 108.82 3gla s THR 121 Ca 0.61 -2.07 -0.18 0.00 -1.18 0.00 0.00 61.69 58.87 3gla s THR 121 Cb -0.39 -2.34 0.04 0.00 1.34 0.00 0.00 72.50 71.15 3gla s THR 121 CO 0.49 -0.35 0.47 0.00 -0.54 0.00 0.00 174.62 174.70 3gla s ALA 122 N -3.27 -1.18 -0.01 3.99 0.00 -1.26 -0.10 121.76 119.94 3gla s ALA 122 Ca 0.28 1.16 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 3gla s ALA 122 Cb 0.05 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.64 3gla s ALA 122 CO 0.09 -0.25 0.23 0.00 0.00 0.00 0.00 175.76 175.83 3gla s ALA 123 N -0.21 -0.56 0.07 0.00 0.00 -0.22 -4.96 121.76 115.88 3gla s ALA 123 Ca -0.04 0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.10 3gla s ALA 123 Cb -0.03 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 3gla s ALA 123 CO 0.02 -0.23 -0.19 0.20 0.00 0.00 0.00 175.76 175.56 3gla s GLY 124 N -1.34 1.08 -0.21 0.00 0.00 -1.26 0.50 107.32 106.09 3gla s GLY 124 Ca -0.14 -1.08 -0.12 0.00 0.00 0.00 0.00 44.72 43.38 3gla s GLY 124 CO 0.03 -1.05 0.52 -1.60 0.00 0.00 0.00 173.10 171.00 3gla s ARG 125 N -1.49 0.52 -1.52 2.90 3.52 0.04 -4.91 118.95 118.00 3gla s ARG 125 Ca 0.05 0.94 -0.14 0.00 -0.13 0.00 0.00 55.73 56.46 3gla s ARG 125 Cb -0.09 0.06 0.08 0.00 -1.56 0.00 0.00 34.95 33.44 3gla s ARG 125 CO 0.03 -0.15 0.96 0.09 -0.81 0.00 0.00 175.30 175.42 3gla n ASN 126 N 4.17 -4.87 0.00 -2.12 3.02 -1.26 -0.96 115.26 113.24 3gla n ASN 126 Ca -0.21 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 3gla n ASN 126 Cb 0.57 -3.89 0.00 0.00 -0.61 0.00 0.00 39.78 35.84 3gla n ASN 126 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gla n GLY 127 N -1.67 1.37 3.64 7.41 0.00 -1.26 -4.89 105.19 109.78 3gla n GLY 127 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3gla n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gla s VAL 128 N -3.19 4.56 -0.16 1.61 1.01 -0.13 0.74 120.40 124.83 3gla s VAL 128 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 3gla s VAL 128 Cb 0.00 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 3gla s VAL 128 CO 0.00 0.51 0.03 -0.22 0.00 0.00 0.00 175.10 175.42 3gla s LEU 129 N -0.03 3.64 -0.19 3.92 2.96 0.30 -0.78 118.68 128.50 3gla s LEU 129 Ca 0.05 0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.97 3gla s LEU 129 Cb -0.12 -1.90 -0.00 0.00 0.50 0.00 0.00 46.19 44.67 3gla s LEU 129 CO 0.01 0.20 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.44 3gla s GLU 130 N 0.21 3.27 -0.14 1.98 2.12 0.18 -0.24 118.70 126.08 3gla s GLU 130 Ca 0.02 -0.69 -0.03 0.00 0.36 0.00 0.00 54.97 54.63 3gla s GLU 130 Cb -0.13 -2.82 -0.02 0.00 0.26 0.00 0.00 34.13 31.42 3gla s GLU 130 CO 0.01 -0.13 -0.06 0.42 -0.54 0.00 0.00 175.26 174.96 3gla s ILE 131 N 1.22 3.68 -0.09 -3.70 1.01 0.15 -1.06 121.20 122.43 3gla s ILE 131 Ca 0.02 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.26 3gla s ILE 131 Cb -0.14 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.72 3gla s ILE 131 CO -0.04 0.51 -0.17 -0.13 0.00 0.00 0.00 174.94 175.11 3gla s ARG 132 N 0.28 2.93 -0.21 2.79 0.52 0.86 0.06 118.95 126.18 3gla s ARG 132 Ca -0.05 -0.75 -0.00 0.00 -0.52 0.00 0.00 55.73 54.41 3gla s ARG 132 Cb -0.14 -2.44 0.05 0.00 0.52 0.00 0.00 34.95 32.94 3gla s ARG 132 CO 0.04 0.37 -0.04 0.42 0.02 0.00 0.00 175.30 176.11 3gla s ILE 133 N -0.08 1.25 0.69 1.52 1.09 0.33 -1.26 121.20 124.74 3gla s ILE 133 Ca -0.03 -0.94 -0.11 0.00 -1.10 0.00 0.00 60.65 58.46 3gla s ILE 133 Cb -0.14 -1.53 0.01 0.00 -1.06 0.00 0.00 42.46 39.74 3gla s ILE 133 CO 0.04 -0.05 1.06 -2.16 -0.10 0.00 0.00 174.94 173.73 3gla s PRO 134 N 1.54 2.91 0.25 2.79 0.04 -1.26 0.39 135.00 141.65 3gla s PRO 134 Ca -0.03 1.01 -0.07 0.00 0.04 0.00 0.00 61.00 61.94 3gla s PRO 134 Cb -0.17 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 3gla s PRO 134 CO -0.07 -1.13 0.54 0.15 0.04 0.00 0.00 177.00 176.54 3gla s LYS 135 N -4.92 3.72 0.36 4.56 1.02 0.20 0.87 119.74 125.54 3gla s LYS 135 Ca 0.59 0.15 -0.27 0.00 0.02 0.00 0.00 55.97 56.45 3gla s LYS 135 Cb -0.15 -2.65 -0.09 0.00 -0.52 0.00 0.00 37.83 34.42 3gla s LYS 135 CO 0.53 0.28 1.23 1.03 -0.92 0.00 0.00 175.35 177.49 3gla s ARG 136 N -3.12 4.25 0.74 1.68 0.52 0.12 -4.77 118.95 118.38 3gla s ARG 136 Ca 0.46 2.02 -0.15 0.00 -0.52 0.00 0.00 55.73 57.53 3gla s ARG 136 Cb -0.11 -2.92 0.02 0.00 0.52 0.00 0.00 34.95 32.46 3gla s ARG 136 CO 0.25 -0.21 0.97 -2.30 0.02 0.00 0.00 175.30 174.04 3gla n PRO 137 N 0.53 0.43 -1.79 3.54 -0.02 -1.26 -4.91 135.00 131.53 3gla n PRO 137 Ca 0.02 0.20 -0.40 0.00 -2.02 0.00 0.00 63.50 61.30 3gla n PRO 137 Cb 0.44 -2.24 0.02 0.00 -0.02 0.00 0.00 33.50 31.70 3gla n PRO 137 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gla s ALA 138 N -1.89 3.24 -1.97 3.55 0.00 -1.26 -5.15 121.76 118.29 3gla s ALA 138 Ca 0.73 1.48 0.00 0.00 0.00 0.00 0.00 51.96 54.16 3gla s ALA 138 Cb -0.33 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.19 3gla s ALA 138 CO 0.51 -1.21 0.49 0.00 0.00 0.00 0.00 175.76 175.56