#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1msa n ASN 2 N 0.00 3.09 -4.16 1.67 6.94 -1.23 -1.15 115.26 120.41 1msa n ASN 2 Ca 0.00 -1.93 -0.28 0.00 -0.02 0.00 0.00 54.58 52.36 1msa n ASN 2 Cb 0.00 -0.13 -0.16 0.00 -2.36 0.00 0.00 39.78 37.13 1msa n ASN 2 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1msa s ILE 3 N -1.57 1.59 -0.24 1.53 1.01 -1.26 0.09 121.20 122.36 1msa s ILE 3 Ca 0.31 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 1msa s ILE 3 Cb 0.20 -1.36 0.02 0.00 0.01 0.00 0.00 42.46 41.32 1msa s ILE 3 CO 0.28 0.45 -0.07 -0.22 0.00 0.00 0.00 174.94 175.39 1msa s LEU 4 N 0.05 3.04 0.33 2.97 2.96 0.12 -4.96 118.68 123.19 1msa s LEU 4 Ca -0.05 -0.75 -0.11 0.00 -0.22 0.00 0.00 54.13 52.99 1msa s LEU 4 Cb -0.13 -1.67 -0.07 0.00 0.50 0.00 0.00 46.19 44.82 1msa s LEU 4 CO 0.03 -0.10 0.70 -0.31 -1.32 0.00 0.00 176.35 175.35 1msa s TYR 5 N 1.36 3.43 0.29 5.38 1.51 -1.26 -0.26 117.35 127.80 1msa s TYR 5 Ca 0.02 1.03 -0.30 0.00 -1.01 0.00 0.00 57.07 56.81 1msa s TYR 5 Cb -0.16 -2.40 -0.11 0.00 -0.11 0.00 0.00 41.96 39.17 1msa s TYR 5 CO -0.05 0.06 1.58 -1.54 -1.11 0.00 0.00 175.55 174.49 1msa s SER 6 N -2.72 6.38 0.00 2.29 1.04 -0.56 -1.17 113.70 118.96 1msa s SER 6 Ca 0.51 2.94 0.00 0.00 0.48 0.00 0.00 55.95 59.88 1msa s SER 6 Cb -0.10 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1msa s SER 6 CO 0.25 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.17 1msa n GLY 7 N 2.13 0.50 3.67 7.32 0.00 -0.19 -4.91 105.19 113.72 1msa n GLY 7 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1msa n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1msa s GLU 8 N -0.88 2.41 0.10 1.61 2.02 -0.32 -5.01 118.70 118.62 1msa s GLU 8 Ca 0.00 -1.24 0.03 0.00 0.02 0.00 0.00 54.97 53.78 1msa s GLU 8 Cb 0.00 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.90 1msa s GLU 8 CO 0.00 0.41 -0.08 0.95 0.02 0.00 0.00 175.26 176.55 1msa s THR 9 N -2.04 0.82 -0.25 3.63 -4.23 -1.26 -1.94 115.64 110.37 1msa s THR 9 Ca 0.30 -1.76 -0.05 0.00 -1.18 0.00 0.00 61.69 59.00 1msa s THR 9 Cb -0.08 -1.48 -0.00 0.00 1.34 0.00 0.00 72.50 72.28 1msa s THR 9 CO 0.20 -0.70 0.01 -0.76 -0.54 0.00 0.00 174.62 172.83 1msa s LEU 10 N -2.70 3.30 0.82 4.79 1.43 0.14 -4.95 118.68 121.52 1msa s LEU 10 Ca 0.08 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 1msa s LEU 10 Cb 0.00 -1.80 0.09 0.00 0.03 0.00 0.00 46.19 44.52 1msa s LEU 10 CO -0.02 -0.09 1.18 -0.44 0.23 0.00 0.00 176.35 177.22 1msa s SER 11 N 1.48 4.35 0.13 2.29 0.01 -1.26 0.28 113.70 120.99 1msa s SER 11 Ca 0.04 0.68 -0.35 0.00 1.31 0.00 0.00 55.95 57.64 1msa s SER 11 Cb -0.16 -1.13 -0.15 0.00 0.21 0.00 0.00 66.02 64.79 1msa s SER 11 CO -0.01 -1.99 1.44 0.41 0.41 0.00 0.00 173.24 173.51 1msa n THR 12 N -3.34 0.10 -0.48 1.44 -1.04 -1.17 -1.17 114.28 108.61 1msa n THR 12 Ca 0.09 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1msa n THR 12 Cb 0.61 -1.17 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 1msa n THR 12 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1msa n GLY 13 N 2.87 1.52 3.88 3.41 0.00 0.20 -4.96 105.19 112.12 1msa n GLY 13 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1msa n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1msa s GLU 14 N -0.19 3.74 0.25 1.61 2.02 -0.32 -4.85 118.70 120.96 1msa s GLU 14 Ca 0.00 0.27 -0.12 0.00 0.02 0.00 0.00 54.97 55.15 1msa s GLU 14 Cb 0.00 -2.54 -0.00 0.00 0.10 0.00 0.00 34.13 31.69 1msa s GLU 14 CO 0.00 0.14 0.47 -0.59 0.02 0.00 0.00 175.26 175.29 1msa s PHE 15 N -2.14 0.45 -0.07 1.61 -0.12 -1.26 -1.38 117.98 115.07 1msa s PHE 15 Ca 0.48 -0.80 -0.01 0.00 -0.05 0.00 0.00 56.93 56.55 1msa s PHE 15 Cb -0.11 0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.40 1msa s PHE 15 CO 0.28 -1.00 0.00 -0.51 -0.05 0.00 0.00 175.22 173.95 1msa s LEU 16 N -3.04 3.57 0.06 -1.99 1.43 0.16 -4.66 118.68 114.21 1msa s LEU 16 Ca 0.24 0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 1msa s LEU 16 Cb -0.00 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1msa s LEU 16 CO 0.10 0.36 -0.08 0.54 0.23 0.00 0.00 176.35 177.50 1msa s ASN 17 N -1.02 1.01 -0.30 2.29 4.22 -0.30 -0.73 114.94 120.10 1msa s ASN 17 Ca 0.15 -0.65 -0.05 0.00 -2.14 0.00 0.00 52.86 50.17 1msa s ASN 17 Cb -0.11 0.04 0.17 0.00 1.28 0.00 0.00 41.25 42.63 1msa s ASN 17 CO 0.04 -0.24 0.66 -0.47 -2.04 0.00 0.00 177.10 175.05 1msa s TYR 18 N -1.83 -1.43 0.00 1.54 6.14 -0.56 -3.54 117.35 117.67 1msa s TYR 18 Ca -0.05 1.79 0.00 0.00 0.64 0.00 0.00 57.07 59.45 1msa s TYR 18 Cb -0.07 0.60 0.00 0.00 0.42 0.00 0.00 41.96 42.91 1msa s TYR 18 CO -0.00 -0.76 0.00 0.41 0.64 0.00 0.00 175.55 175.83 1msa n GLY 19 N 5.42 4.08 0.77 8.97 0.00 -1.26 -0.53 105.19 122.65 1msa n GLY 19 Ca -0.05 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1msa n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1msa n SER 20 N 7.56 2.39 -4.71 1.61 3.41 -1.26 -4.90 113.62 117.73 1msa n SER 20 Ca 0.00 -1.80 -0.39 0.00 -0.26 0.00 0.00 58.87 56.42 1msa n SER 20 Cb 0.00 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 63.86 1msa n SER 20 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1msa s PHE 21 N -1.93 3.54 -0.09 7.33 0.08 0.31 -1.24 117.98 125.99 1msa s PHE 21 Ca 0.33 1.12 0.01 0.00 0.12 0.00 0.00 56.93 58.51 1msa s PHE 21 Cb 0.20 -2.74 0.02 0.00 -0.57 0.00 0.00 43.02 39.94 1msa s PHE 21 CO 0.31 0.08 -0.08 0.08 -0.10 0.00 0.00 175.22 175.51 1msa s VAL 22 N 0.87 0.98 -0.45 -0.44 1.01 -0.24 -1.50 120.40 120.63 1msa s VAL 22 Ca 0.34 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 1msa s VAL 22 Cb -0.17 -0.97 0.12 0.00 0.00 0.00 0.00 36.38 35.36 1msa s VAL 22 CO 0.15 0.34 0.27 0.12 0.00 0.00 0.00 175.10 175.98 1msa s PHE 23 N 1.31 3.54 -0.06 5.22 5.36 0.09 0.62 117.98 134.06 1msa s PHE 23 Ca -0.03 -2.33 0.04 0.00 -0.96 0.00 0.00 56.93 53.65 1msa s PHE 23 Cb -0.14 -3.29 -0.02 0.00 -0.34 0.00 0.00 43.02 39.23 1msa s PHE 23 CO -0.03 -0.96 -0.16 -1.50 -1.46 0.00 0.00 175.22 171.10 1msa s ILE 24 N 1.05 2.85 -0.87 3.12 2.07 -0.55 -0.66 121.20 128.21 1msa s ILE 24 Ca 0.09 -0.79 -0.20 0.00 -1.41 0.00 0.00 60.65 58.34 1msa s ILE 24 Cb -0.23 -2.12 0.10 0.00 0.13 0.00 0.00 42.46 40.35 1msa s ILE 24 CO -0.03 0.57 1.14 -0.32 -1.91 0.00 0.00 174.94 174.39 1msa s MET 25 N -0.44 3.47 0.84 3.50 -2.45 -0.48 -2.49 119.30 121.26 1msa s MET 25 Ca 0.05 -1.41 -0.11 0.00 -1.25 0.00 0.00 55.69 52.97 1msa s MET 25 Cb -0.12 -4.80 0.10 0.00 1.25 0.00 0.00 34.83 31.26 1msa s MET 25 CO 0.02 -1.86 1.10 -0.65 1.05 0.00 0.00 175.02 174.68 1msa s GLN 26 N 3.42 1.69 0.42 4.11 -0.21 -0.94 0.59 119.66 128.74 1msa s GLN 26 Ca 0.32 1.14 0.18 0.00 0.02 0.00 0.00 55.36 57.02 1msa s GLN 26 Cb -0.07 -1.83 0.94 0.00 1.00 0.00 0.00 33.01 33.04 1msa s GLN 26 CO -0.04 -2.03 1.88 1.49 -2.12 0.00 0.00 175.29 174.47 1msa h GLU 27 N -1.41 0.00 -0.06 2.91 4.81 -1.92 -2.19 114.58 116.71 1msa h GLU 27 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1msa h GLU 27 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1msa h GLU 27 CO 0.50 0.29 0.00 -0.40 -0.73 0.00 0.00 179.01 178.67 1msa n ASP 28 N -3.84 0.44 0.00 1.04 5.75 -1.26 -1.06 116.55 117.62 1msa n ASP 28 Ca -0.01 -1.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 1msa n ASP 28 Cb 0.37 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1msa n ASP 28 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1msa s ASN 30 N -2.10 6.85 -0.45 0.00 2.47 -1.26 -4.35 114.94 116.10 1msa s ASN 30 Ca 0.00 1.02 -0.17 0.00 0.42 0.00 0.00 52.86 54.13 1msa s ASN 30 Cb 0.00 -2.35 0.05 0.00 -1.45 0.00 0.00 41.25 37.50 1msa s ASN 30 CO 0.00 -0.05 0.43 -0.22 -3.72 0.00 0.00 177.10 173.55 1msa s LEU 31 N 0.64 5.22 0.07 3.21 2.96 -1.26 -2.20 118.68 127.31 1msa s LEU 31 Ca 0.32 -1.01 0.08 0.00 -0.22 0.00 0.00 54.13 53.30 1msa s LEU 31 Cb -0.17 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 1msa s LEU 31 CO 0.14 -0.64 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.65 1msa s VAL 32 N 1.95 2.67 -0.27 1.68 1.01 -1.04 -1.17 120.40 125.25 1msa s VAL 32 Ca 0.08 -1.34 -0.07 0.00 0.00 0.00 0.00 61.98 60.65 1msa s VAL 32 Cb -0.21 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 1msa s VAL 32 CO 0.10 0.26 0.08 -0.22 0.00 0.00 0.00 175.10 175.32 1msa s LEU 33 N -1.63 3.61 0.03 3.92 2.96 0.16 -1.48 118.68 126.25 1msa s LEU 33 Ca 0.15 -0.39 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 1msa s LEU 33 Cb -0.10 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 1msa s LEU 33 CO 0.06 -0.10 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.67 1msa s TYR 34 N 1.58 3.01 -0.47 5.38 2.02 0.20 -0.79 117.35 128.29 1msa s TYR 34 Ca 0.05 0.03 0.03 0.00 -0.37 0.00 0.00 57.07 56.81 1msa s TYR 34 Cb -0.16 -1.62 0.12 0.00 -0.40 0.00 0.00 41.96 39.91 1msa s TYR 34 CO 0.03 0.45 0.21 0.34 -1.57 0.00 0.00 175.55 175.01 1msa s ASP 35 N -1.77 4.61 1.65 2.29 -1.08 -0.27 -1.08 116.67 121.03 1msa s ASP 35 Ca 0.21 -2.66 0.00 0.00 -0.52 0.00 0.00 52.55 49.58 1msa s ASP 35 Cb -0.11 -1.67 0.00 0.00 -1.46 0.00 0.00 42.92 39.67 1msa s ASP 35 CO 0.12 -0.31 0.00 0.52 0.52 0.00 0.00 175.17 176.02 1msa n VAL 36 N 3.60 0.00 -0.35 1.11 0.31 -0.37 -1.80 118.33 120.82 1msa n VAL 36 Ca 0.05 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.47 1msa n VAL 36 Cb 0.36 0.00 0.28 0.00 -0.91 0.00 0.00 33.84 33.57 1msa n VAL 36 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1msa n ASP 37 N 9.05 3.74 -4.66 4.52 5.75 -1.26 -4.92 116.55 128.77 1msa n ASP 37 Ca 0.00 -2.06 -0.36 0.00 -0.01 0.00 0.00 54.79 52.36 1msa n ASP 37 Cb 0.00 -0.43 -0.10 0.00 -1.03 0.00 0.00 41.12 39.57 1msa n ASP 37 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1msa s LYS 38 N -1.11 4.06 -0.30 0.11 2.20 -0.75 -5.04 119.74 118.90 1msa s LYS 38 Ca 0.42 -0.28 -0.29 0.00 -0.36 0.00 0.00 55.97 55.46 1msa s LYS 38 Cb 0.22 -3.50 -0.01 0.00 -1.51 0.00 0.00 37.83 33.03 1msa s LYS 38 CO 0.27 0.08 1.52 -2.14 -0.36 0.00 0.00 175.35 174.73 1msa s PRO 39 N 0.98 3.69 -0.14 4.03 0.02 -1.26 -1.11 135.00 141.21 1msa s PRO 39 Ca 0.07 1.35 0.05 0.00 0.02 0.00 0.00 61.00 62.49 1msa s PRO 39 Cb -0.13 -4.02 -0.23 0.00 0.02 0.00 0.00 34.50 30.13 1msa s PRO 39 CO 0.04 -1.42 0.28 -0.89 -0.33 0.00 0.00 177.00 174.68 1msa n ILE 40 N 6.70 1.60 -3.63 2.83 2.08 0.03 -4.97 119.36 124.00 1msa n ILE 40 Ca 0.18 -0.72 -0.15 0.00 0.56 0.00 0.00 62.75 62.62 1msa n ILE 40 Cb 0.46 -1.23 -0.07 0.00 -0.75 0.00 0.00 39.64 38.05 1msa n ILE 40 CO 0.00 0.00 0.00 0.86 0.56 0.00 0.00 176.55 177.97 1msa s TRP 41 N -2.55 -0.52 0.12 1.39 -0.00 -1.15 -4.99 118.94 111.23 1msa s TRP 41 Ca -0.17 1.03 -0.12 0.00 -0.00 0.00 0.00 56.10 56.83 1msa s TRP 41 Cb 0.07 0.27 0.02 0.00 -0.00 0.00 0.00 33.47 33.83 1msa s TRP 41 CO 0.76 -0.46 0.31 0.00 -0.00 0.00 0.00 176.95 177.56 1msa s ALA 42 N -0.77 -0.55 -0.73 5.86 0.00 -1.26 0.38 121.76 124.69 1msa s ALA 42 Ca -0.08 -0.38 0.26 0.00 0.00 0.00 0.00 51.96 51.76 1msa s ALA 42 Cb -0.03 0.63 0.68 0.00 0.00 0.00 0.00 23.12 24.40 1msa s ALA 42 CO 0.06 -0.60 1.63 0.25 0.00 0.00 0.00 175.76 177.10 1msa n THR 43 N -0.16 0.46 -3.56 0.00 -2.24 -0.31 -4.94 114.28 103.54 1msa n THR 43 Ca -0.15 -0.25 -0.23 0.00 -2.27 0.00 0.00 64.05 61.15 1msa n THR 43 Cb 0.63 -0.40 0.08 0.00 -2.10 0.00 0.00 70.33 68.53 1msa n THR 43 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1msa n ASN 44 N -2.14 -6.13 -0.58 3.42 3.02 -1.26 -4.89 115.26 106.69 1msa n ASN 44 Ca 0.05 -0.52 0.06 0.00 -0.03 0.00 0.00 54.58 54.14 1msa n ASN 44 Cb 0.42 -4.88 0.17 0.00 -0.61 0.00 0.00 39.78 34.88 1msa n ASN 44 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1msa n THR 45 N -4.90 1.57 -1.71 3.41 -2.24 -1.26 -5.02 114.28 104.12 1msa n THR 45 Ca 0.00 -1.46 -0.42 0.00 -2.27 0.00 0.00 64.05 59.90 1msa n THR 45 Cb 0.56 0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 1msa n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1msa n GLY 46 N -0.21 1.57 2.01 3.38 0.00 -1.26 -2.00 105.19 108.68 1msa n GLY 46 Ca 0.14 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1msa n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1msa n GLY 47 N 4.05 1.53 0.23 -0.02 0.00 0.12 -4.88 105.19 106.22 1msa n GLY 47 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1msa n GLY 47 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1msa h LEU 48 N 0.00 0.00 0.00 0.99 3.38 -1.57 -3.47 115.31 114.64 1msa h LEU 48 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1msa h LEU 48 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1msa h LEU 48 CO 0.00 0.16 0.00 -0.24 0.09 0.00 0.00 178.44 178.45 1msa n SER 49 N -3.28 0.00 -3.95 -0.43 2.88 -1.26 -5.13 113.62 102.45 1msa n SER 49 Ca 0.01 -0.72 -0.10 0.00 -1.33 0.00 0.00 58.87 56.72 1msa n SER 49 Cb 0.42 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.76 1msa n SER 49 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1msa s ARG 50 N -1.17 0.27 -1.33 -1.46 1.81 -1.26 -4.09 118.95 111.72 1msa s ARG 50 Ca 0.00 -0.47 -0.05 0.00 -1.72 0.00 0.00 55.73 53.48 1msa s ARG 50 Cb 0.00 0.10 0.02 0.00 -0.45 0.00 0.00 34.95 34.62 1msa s ARG 50 CO 0.00 -0.05 1.01 0.43 -0.68 0.00 0.00 175.30 176.02 1msa n SER 51 N 1.87 -3.85 -4.82 0.23 7.64 -0.23 -4.34 113.62 110.12 1msa n SER 51 Ca -0.22 -0.65 -0.30 0.00 1.01 0.00 0.00 58.87 58.71 1msa n SER 51 Cb 0.56 -4.72 0.07 0.00 -1.01 0.00 0.00 64.21 59.10 1msa n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1msa s PHE 53 N -3.15 1.41 -0.19 0.00 -0.71 -0.56 -3.07 117.98 111.72 1msa s PHE 53 Ca 0.59 -0.37 -0.09 0.00 -1.04 0.00 0.00 56.93 56.02 1msa s PHE 53 Cb -0.14 -0.83 -0.05 0.00 -1.21 0.00 0.00 43.02 40.79 1msa s PHE 53 CO 0.54 0.06 0.12 -1.17 -1.34 0.00 0.00 175.22 173.43 1msa s LEU 54 N -1.23 4.15 -0.15 -1.99 2.96 0.14 -1.39 118.68 121.18 1msa s LEU 54 Ca 0.03 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 1msa s LEU 54 Cb -0.08 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.56 1msa s LEU 54 CO 0.02 0.19 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.53 1msa s SER 55 N 0.27 2.76 -0.60 3.68 0.15 0.32 0.28 113.70 120.57 1msa s SER 55 Ca 0.08 -0.52 -0.19 0.00 0.70 0.00 0.00 55.95 56.01 1msa s SER 55 Cb -0.11 -1.24 0.09 0.00 -1.71 0.00 0.00 66.02 63.05 1msa s SER 55 CO -0.01 -0.02 0.74 -0.32 1.20 0.00 0.00 173.24 174.82 1msa s MET 56 N 1.32 3.06 0.69 5.44 1.75 -0.82 -1.25 119.30 129.49 1msa s MET 56 Ca 0.02 -1.21 -0.11 0.00 -1.25 0.00 0.00 55.69 53.14 1msa s MET 56 Cb -0.13 -4.25 0.00 0.00 2.84 0.00 0.00 34.83 33.29 1msa s MET 56 CO -0.09 -1.56 1.07 -0.65 -0.65 0.00 0.00 175.02 173.14 1msa s GLN 57 N 2.89 3.03 0.00 4.11 -0.21 -0.44 -1.02 119.66 128.02 1msa s GLN 57 Ca 0.13 0.68 0.18 0.00 0.02 0.00 0.00 55.36 56.37 1msa s GLN 57 Cb -0.23 -2.02 1.06 0.00 1.00 0.00 0.00 33.01 32.82 1msa s GLN 57 CO 0.07 -0.96 1.51 0.25 -2.12 0.00 0.00 175.29 174.04 1msa n THR 58 N -3.00 0.00 0.64 -0.19 -2.24 -1.26 -2.00 114.28 106.23 1msa n THR 58 Ca 0.07 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.94 1msa n THR 58 Cb 0.55 -0.53 0.10 0.00 -2.10 0.00 0.00 70.33 68.35 1msa n THR 58 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1msa n ASP 59 N -0.89 2.65 0.00 3.42 5.68 -1.26 -0.80 116.55 125.35 1msa n ASP 59 Ca 0.13 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 1msa n ASP 59 Cb 0.06 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 1msa n ASP 59 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1msa n GLY 60 N 1.05 0.75 3.75 6.12 0.00 -0.85 0.22 105.19 116.24 1msa n GLY 60 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1msa n GLY 60 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1msa s ASN 61 N -3.00 6.92 -0.37 1.61 2.47 -1.26 -4.45 114.94 116.87 1msa s ASN 61 Ca 0.00 1.10 -0.11 0.00 0.42 0.00 0.00 52.86 54.27 1msa s ASN 61 Cb 0.00 -2.36 0.02 0.00 -1.45 0.00 0.00 41.25 37.47 1msa s ASN 61 CO 0.00 0.06 0.21 -0.22 -3.72 0.00 0.00 177.10 173.43 1msa s LEU 62 N 0.06 4.69 -0.02 3.21 2.96 -1.26 -1.33 118.68 126.99 1msa s LEU 62 Ca 0.31 -0.94 0.07 0.00 -0.22 0.00 0.00 54.13 53.36 1msa s LEU 62 Cb -0.18 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 1msa s LEU 62 CO 0.16 -0.37 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.89 1msa s VAL 63 N 1.57 2.20 -0.29 1.68 1.01 -0.38 -0.99 120.40 125.20 1msa s VAL 63 Ca 0.03 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 60.84 1msa s VAL 63 Cb -0.19 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1msa s VAL 63 CO 0.07 0.57 0.16 -0.69 0.00 0.00 0.00 175.10 175.22 1msa s VAL 64 N -0.63 4.94 0.04 2.92 1.01 0.76 -0.52 120.40 128.92 1msa s VAL 64 Ca 0.10 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.04 1msa s VAL 64 Cb -0.10 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1msa s VAL 64 CO -0.01 0.19 -0.04 -0.31 0.00 0.00 0.00 175.10 174.93 1msa s TYR 65 N 1.69 2.93 0.58 5.22 2.02 -0.49 -0.69 117.35 128.61 1msa s TYR 65 Ca 0.06 -0.03 0.03 0.00 -0.37 0.00 0.00 57.07 56.77 1msa s TYR 65 Cb -0.16 -1.58 0.07 0.00 -0.40 0.00 0.00 41.96 39.89 1msa s TYR 65 CO 0.08 0.42 0.81 0.54 -1.57 0.00 0.00 175.55 175.83 1msa s ASN 66 N -1.77 5.03 0.57 2.29 2.20 -0.70 -1.50 114.94 121.07 1msa s ASN 66 Ca 0.20 -0.34 0.27 0.00 -0.94 0.00 0.00 52.86 52.05 1msa s ASN 66 Cb -0.11 -0.37 1.57 0.00 -2.00 0.00 0.00 41.25 40.34 1msa s ASN 66 CO 0.11 -1.33 2.08 -0.65 -2.94 0.00 0.00 177.10 174.37 1msa h PRO 67 N 0.01 0.00 -0.00 3.55 0.11 -1.78 0.23 132.00 134.12 1msa h PRO 67 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1msa h PRO 67 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1msa h PRO 67 CO 0.45 0.00 -0.01 0.43 -0.21 0.00 0.00 178.00 178.66 1msa n SER 68 N -3.97 0.26 -0.26 -2.05 7.64 -1.26 -4.91 113.62 109.07 1msa n SER 68 Ca 0.03 -0.88 -0.03 0.00 1.01 0.00 0.00 58.87 58.99 1msa n SER 68 Cb 0.37 -0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 63.50 1msa n SER 68 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1msa n ASN 69 N -0.88 -3.43 -4.87 6.43 3.02 0.80 -5.04 115.26 111.29 1msa n ASN 69 Ca 0.21 0.08 -0.37 0.00 -0.03 0.00 0.00 54.58 54.47 1msa n ASN 69 Cb 0.18 -1.23 -0.06 0.00 -0.61 0.00 0.00 39.78 38.06 1msa n ASN 69 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1msa s LYS 70 N -2.22 3.46 0.25 3.52 -2.85 -1.26 -4.82 119.74 115.82 1msa s LYS 70 Ca 0.00 -0.14 -0.30 0.00 -1.00 0.00 0.00 55.97 54.54 1msa s LYS 70 Cb 0.00 -3.19 -0.09 0.00 -2.06 0.00 0.00 37.83 32.48 1msa s LYS 70 CO 0.00 0.76 1.30 -1.25 0.10 0.00 0.00 175.35 176.26 1msa s PRO 71 N -0.97 4.39 -0.00 1.78 0.04 -1.26 -1.72 135.00 137.26 1msa s PRO 71 Ca 0.15 2.10 0.03 0.00 0.04 0.00 0.00 61.00 63.31 1msa s PRO 71 Cb -0.12 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 1msa s PRO 71 CO 0.04 -0.21 0.11 0.44 0.04 0.00 0.00 177.00 177.43 1msa n ILE 72 N 1.98 0.00 -3.60 0.56 -5.35 0.13 -4.94 119.36 108.14 1msa n ILE 72 Ca 0.04 -0.37 -0.13 0.00 -0.27 0.00 0.00 62.75 62.02 1msa n ILE 72 Cb 0.42 0.91 -0.07 0.00 -1.74 0.00 0.00 39.64 39.17 1msa n ILE 72 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 1msa s TRP 73 N -1.42 -0.60 -0.04 4.28 -0.00 -1.22 -5.01 118.94 114.93 1msa s TRP 73 Ca 0.01 1.32 -0.19 0.00 -0.00 0.00 0.00 56.10 57.23 1msa s TRP 73 Cb 0.02 0.36 0.04 0.00 -0.00 0.00 0.00 33.47 33.88 1msa s TRP 73 CO 0.12 -0.37 0.42 0.00 -0.00 0.00 0.00 176.95 177.13 1msa s ALA 74 N -0.21 -1.08 0.07 5.86 0.00 -1.26 -0.17 121.76 124.97 1msa s ALA 74 Ca -0.01 0.70 0.28 0.00 0.00 0.00 0.00 51.96 52.93 1msa s ALA 74 Cb -0.03 -0.04 1.08 0.00 0.00 0.00 0.00 23.12 24.12 1msa s ALA 74 CO 0.01 -0.28 1.88 0.66 0.00 0.00 0.00 175.76 178.02 1msa h SER 75 N 3.83 0.00 -4.95 0.00 4.64 -1.44 -3.47 113.55 112.15 1msa h SER 75 Ca -0.29 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.74 1msa h SER 75 Cb 1.17 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.38 1msa h SER 75 CO 0.38 0.10 -0.59 0.59 -0.87 0.00 0.00 176.83 176.44 1msa n ASN 76 N -3.22 -3.90 -0.44 4.97 3.02 -1.26 -4.92 115.26 109.51 1msa n ASN 76 Ca 0.01 -0.47 0.07 0.00 -0.03 0.00 0.00 54.58 54.16 1msa n ASN 76 Cb 0.38 -4.22 0.18 0.00 -0.61 0.00 0.00 39.78 35.51 1msa n ASN 76 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1msa n THR 77 N -4.07 2.10 -1.89 3.41 -2.24 -1.26 -5.04 114.28 105.29 1msa n THR 77 Ca -0.11 -2.54 -0.40 0.00 -2.27 0.00 0.00 64.05 58.73 1msa n THR 77 Cb 0.59 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1msa n THR 77 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1msa s GLY 78 N -2.82 2.94 0.00 3.38 0.00 -1.26 -3.98 107.32 105.58 1msa s GLY 78 Ca 0.36 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.51 1msa s GLY 78 CO 0.01 2.05 0.00 0.61 0.00 0.00 0.00 173.10 175.77 1msa n GLY 79 N 0.59 1.60 3.64 0.20 0.00 0.13 -4.93 105.19 106.43 1msa n GLY 79 Ca 0.03 0.16 -0.47 0.00 0.00 0.00 0.00 46.02 45.75 1msa n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1msa n GLN 80 N 0.00 1.79 -2.45 1.61 7.27 -1.26 -4.77 117.38 119.58 1msa n GLN 80 Ca 0.00 0.64 -0.40 0.00 0.07 0.00 0.00 57.00 57.31 1msa n GLN 80 Cb 0.00 -2.29 -0.04 0.00 2.41 0.00 0.00 30.24 30.32 1msa n GLN 80 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 1msa s ASN 81 N 0.37 7.13 0.00 1.69 3.84 -1.26 -4.48 114.94 122.23 1msa s ASN 81 Ca 0.73 2.28 0.00 0.00 0.21 0.00 0.00 52.86 56.07 1msa s ASN 81 Cb -0.73 -2.62 0.00 0.00 -0.55 0.00 0.00 41.25 37.35 1msa s ASN 81 CO 0.48 -0.24 0.00 0.61 -2.79 0.00 0.00 177.10 175.16 1msa n GLY 82 N 1.04 -0.53 3.72 1.21 0.00 0.02 -5.00 105.19 105.65 1msa n GLY 82 Ca -0.00 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 1msa n GLY 82 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1msa s ASN 83 N -4.00 6.13 0.19 1.61 0.01 -1.26 -4.66 114.94 112.96 1msa s ASN 83 Ca 0.00 0.22 0.02 0.00 -0.71 0.00 0.00 52.86 52.39 1msa s ASN 83 Cb 0.00 -2.07 -0.05 0.00 0.41 0.00 0.00 41.25 39.54 1msa s ASN 83 CO 0.00 0.19 0.01 -0.31 -1.51 0.00 0.00 177.10 175.47 1msa s TYR 84 N 0.31 1.29 0.00 2.20 1.51 -1.26 -2.86 117.35 118.54 1msa s TYR 84 Ca 0.08 -1.01 -0.01 0.00 -1.01 0.00 0.00 57.07 55.12 1msa s TYR 84 Cb -0.11 -0.74 -0.01 0.00 -0.11 0.00 0.00 41.96 41.00 1msa s TYR 84 CO -0.02 -0.19 0.01 0.14 -1.11 0.00 0.00 175.55 174.38 1msa s VAL 85 N -3.62 0.04 -0.24 0.71 -7.23 -0.33 -1.50 120.40 108.22 1msa s VAL 85 Ca 0.26 -0.31 -0.02 0.00 -1.81 0.00 0.00 61.98 60.09 1msa s VAL 85 Cb 0.06 -0.12 0.02 0.00 0.56 0.00 0.00 36.38 36.90 1msa s VAL 85 CO 0.05 -0.17 -0.06 0.00 -0.31 0.00 0.00 175.10 174.61 1msa s ILE 87 N 1.36 2.69 -0.65 0.00 1.01 -0.24 0.12 121.20 125.49 1msa s ILE 87 Ca 0.02 -0.81 -0.19 0.00 0.00 0.00 0.00 60.65 59.66 1msa s ILE 87 Cb -0.16 -2.07 0.11 0.00 0.01 0.00 0.00 42.46 40.35 1msa s ILE 87 CO -0.05 0.55 0.80 -0.22 0.00 0.00 0.00 174.94 176.03 1msa s LEU 88 N 0.03 5.25 0.76 2.97 2.96 0.11 -1.92 118.68 128.85 1msa s LEU 88 Ca -0.06 -1.49 -0.11 0.00 -0.22 0.00 0.00 54.13 52.24 1msa s LEU 88 Cb -0.15 -2.33 0.05 0.00 0.50 0.00 0.00 46.19 44.26 1msa s LEU 88 CO 0.05 -1.14 1.09 -1.10 -1.32 0.00 0.00 176.35 173.93 1msa s GLN 89 N 2.79 2.36 0.57 1.98 -0.21 -0.63 -4.83 119.66 121.69 1msa s GLN 89 Ca 0.16 0.68 0.35 0.00 0.02 0.00 0.00 55.36 56.58 1msa s GLN 89 Cb -0.20 -1.95 1.56 0.00 1.00 0.00 0.00 33.01 33.42 1msa s GLN 89 CO 0.04 -1.44 2.06 1.57 -2.12 0.00 0.00 175.29 175.40 1msa h LYS 90 N -0.95 0.00 -0.17 2.91 2.10 -1.96 -1.93 116.57 116.56 1msa h LYS 90 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1msa h LYS 90 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1msa h LYS 90 CO 0.59 0.01 0.00 -0.40 -2.00 0.00 0.00 179.45 177.65 1msa n ASP 91 N -3.11 1.37 0.00 7.07 5.75 -1.26 -4.90 116.55 121.48 1msa n ASP 91 Ca -0.00 -1.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 1msa n ASP 91 Cb 0.26 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 1msa n ASP 91 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1msa n ARG 92 N 0.15 0.00 -3.37 0.11 0.63 -0.73 -5.03 116.66 108.42 1msa n ARG 92 Ca 0.14 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.69 1msa n ARG 92 Cb 0.27 -2.36 -0.06 0.00 0.45 0.00 0.00 32.46 30.76 1msa n ARG 92 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1msa s ASN 93 N -2.64 6.93 -0.36 6.15 2.47 -1.26 -4.86 114.94 121.36 1msa s ASN 93 Ca 0.00 1.10 -0.11 0.00 0.42 0.00 0.00 52.86 54.27 1msa s ASN 93 Cb 0.00 -2.31 0.02 0.00 -1.45 0.00 0.00 41.25 37.51 1msa s ASN 93 CO 0.00 0.27 0.21 -0.69 -3.72 0.00 0.00 177.10 173.17 1msa s VAL 94 N -0.95 4.69 0.09 -5.21 1.01 -1.26 -1.61 120.40 117.15 1msa s VAL 94 Ca 0.27 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.62 1msa s VAL 94 Cb -0.18 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1msa s VAL 94 CO 0.16 -0.17 -0.23 -0.69 0.00 0.00 0.00 175.10 174.17 1msa s VAL 95 N 1.59 1.91 -0.20 2.92 1.01 -0.81 -4.96 120.40 121.86 1msa s VAL 95 Ca 0.03 -1.49 -0.07 0.00 0.00 0.00 0.00 61.98 60.45 1msa s VAL 95 Cb -0.19 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 1msa s VAL 95 CO 0.07 0.11 0.05 -0.63 0.00 0.00 0.00 175.10 174.71 1msa s ILE 96 N -0.99 4.50 0.14 2.22 1.01 -1.26 -1.07 121.20 125.74 1msa s ILE 96 Ca 0.10 -0.13 0.11 0.00 0.00 0.00 0.00 60.65 60.73 1msa s ILE 96 Cb -0.10 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 1msa s ILE 96 CO 0.04 0.42 -0.26 -0.31 0.00 0.00 0.00 174.94 174.83 1msa s TYR 97 N 0.80 2.32 0.00 3.97 1.51 -0.06 -4.98 117.35 120.91 1msa s TYR 97 Ca 0.03 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 1msa s TYR 97 Cb -0.14 -1.24 0.00 0.00 -0.11 0.00 0.00 41.96 40.47 1msa s TYR 97 CO 0.02 0.36 0.00 0.41 -1.11 0.00 0.00 175.55 175.23 1msa n GLY 98 N 0.84 2.76 0.21 0.71 0.00 -1.26 -1.19 105.19 107.26 1msa n GLY 98 Ca -0.17 -1.06 -0.01 0.00 0.00 0.00 0.00 46.02 44.77 1msa n GLY 98 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1msa n THR 99 N -1.11 0.00 -2.23 2.61 -2.24 -1.26 -5.07 114.28 104.98 1msa n THR 99 Ca 0.00 -0.07 -0.41 0.00 -2.27 0.00 0.00 64.05 61.30 1msa n THR 99 Cb 0.00 -1.68 -0.03 0.00 -2.10 0.00 0.00 70.33 66.52 1msa n THR 99 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1msa s ASP 100 N -1.25 6.91 -0.09 3.42 -4.77 -1.14 -4.94 116.67 114.83 1msa s ASP 100 Ca 0.04 2.39 0.15 0.00 -3.30 0.00 0.00 52.55 51.83 1msa s ASP 100 Cb -0.00 -2.61 -0.22 0.00 -1.09 0.00 0.00 42.92 39.00 1msa s ASP 100 CO 0.03 -0.51 0.21 0.54 0.70 0.00 0.00 175.17 176.13 1msa n ARG 101 N 2.60 1.00 -3.48 2.11 5.12 -1.26 -5.00 116.66 117.75 1msa n ARG 101 Ca 0.06 -0.08 -0.13 0.00 -1.93 0.00 0.00 57.85 55.77 1msa n ARG 101 Cb 0.43 -1.39 -0.03 0.00 -1.16 0.00 0.00 32.46 30.30 1msa n ARG 101 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 1msa s TRP 102 N -2.76 -0.51 0.02 -1.55 -0.00 -1.26 -5.18 118.94 107.70 1msa s TRP 102 Ca -0.07 0.53 -0.28 0.00 -0.00 0.00 0.00 56.10 56.28 1msa s TRP 102 Cb 0.08 0.51 0.07 0.00 -0.00 0.00 0.00 33.47 34.12 1msa s TRP 102 CO 0.66 -0.67 0.67 0.00 -0.00 0.00 0.00 176.95 177.61 1msa s ALA 103 N -2.70 -1.72 0.19 5.86 0.00 -1.26 -5.03 121.76 117.10 1msa s ALA 103 Ca -0.01 1.05 0.12 0.00 0.00 0.00 0.00 51.96 53.12 1msa s ALA 103 Cb -0.01 0.27 0.29 0.00 0.00 0.00 0.00 23.12 23.68 1msa s ALA 103 CO -0.05 -0.50 1.56 1.79 0.00 0.00 0.00 175.76 178.56 1msa h THR 104 N 2.64 1.34 -1.42 0.00 1.35 -2.06 -3.47 112.91 111.29 1msa h THR 104 Ca -0.29 -2.26 -0.09 0.00 -0.55 0.00 0.00 66.41 63.22 1msa h THR 104 Cb 1.20 2.26 0.01 0.00 -1.73 0.00 0.00 68.15 69.89 1msa h THR 104 CO 0.38 0.62 -0.13 0.61 -0.25 0.00 0.00 175.52 176.75 1msa n GLY 105 N 0.53 0.43 1.42 5.82 0.00 -1.26 -4.95 105.19 107.17 1msa n GLY 105 Ca -0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.42 1msa n GLY 105 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1msa n THR 106 N -3.47 2.64 -2.28 2.61 -2.24 -1.26 -5.03 114.28 105.25 1msa n THR 106 Ca -0.02 -2.08 -0.35 0.00 -2.27 0.00 0.00 64.05 59.33 1msa n THR 106 Cb 0.53 -0.32 -0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1msa n THR 106 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1msa s HIS 107 N -3.05 2.75 0.00 4.78 -3.43 -1.26 -5.05 115.29 110.03 1msa s HIS 107 Ca 0.48 1.55 0.00 0.00 -0.80 0.00 0.00 55.06 56.29 1msa s HIS 107 Cb 0.40 -3.22 0.00 0.00 -1.43 0.00 0.00 32.58 28.33 1msa s HIS 107 CO 0.08 -1.40 0.00 0.25 -2.00 0.00 0.00 174.74 171.67 1msa n THR 108 N -1.33 0.00 -1.64 -5.38 -2.24 -1.26 -5.26 114.28 97.17 1msa n THR 108 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1msa n THR 108 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1msa n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11