#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 3.12 -4.16 1.67 6.94 -1.24 -1.34 115.26 120.25 1msa n ASN 2 Ca 0.00 -1.97 -0.27 0.00 -0.02 0.00 0.00 54.58 52.32 1msa n ASN 2 Cb 0.00 -0.28 -0.16 0.00 -2.36 0.00 0.00 39.78 36.98 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 -1.01 1.51 -0.30 1.53 1.01 -1.26 -0.43 121.20 122.25 1msa s ILE 3 Ca 0.29 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.19 1msa s ILE 3 Cb 0.15 -1.29 0.08 0.00 0.01 0.00 0.00 42.46 41.41 1msa s ILE 3 CO 0.20 0.43 -0.01 -0.22 0.00 0.00 0.00 174.94 175.34 1msa s LEU 4 N -0.07 4.11 0.43 2.97 2.96 0.14 -4.97 118.68 124.25 1msa s LEU 4 Ca -0.02 -1.70 -0.22 0.00 -0.22 0.00 0.00 54.13 51.98 1msa s LEU 4 Cb -0.11 -1.62 -0.09 0.00 0.50 0.00 0.00 46.19 44.87 1msa s LEU 4 CO 0.02 -0.29 1.01 -0.31 -1.32 0.00 0.00 176.35 175.46 1msa s TYR 5 N 1.05 3.20 0.37 5.38 1.51 -1.26 -0.58 117.35 127.03 1msa s TYR 5 Ca -0.00 1.62 -0.28 0.00 -1.01 0.00 0.00 57.07 57.40 1msa s TYR 5 Cb -0.20 -3.02 -0.11 0.00 -0.11 0.00 0.00 41.96 38.52 1msa s TYR 5 CO -0.05 -0.52 1.48 -1.13 -1.11 0.00 0.00 175.55 174.21 1msa n SER 6 N -0.50 3.72 0.00 2.29 3.41 0.13 -1.76 113.62 120.91 1msa n SER 6 Ca 0.07 1.22 0.00 0.00 -0.26 0.00 0.00 58.87 59.90 1msa n SER 6 Cb 0.52 -1.61 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 1msa n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1msa n GLY 7 N 0.63 0.33 3.65 5.00 0.00 0.60 -4.90 105.19 110.50 1msa n GLY 7 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.93 2.24 0.13 1.61 2.02 -0.72 -5.01 118.70 118.04 1msa s GLU 8 Ca 0.00 -1.53 0.03 0.00 0.02 0.00 0.00 54.97 53.49 1msa s GLU 8 Cb 0.00 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 32.09 1msa s GLU 8 CO 0.00 0.26 -0.07 0.95 0.02 0.00 0.00 175.26 176.42 1msa s THR 9 N -2.39 0.93 -0.28 3.63 -4.23 -1.26 -2.10 115.64 109.93 1msa s THR 9 Ca 0.33 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.80 1msa s THR 9 Cb -0.04 -1.83 0.02 0.00 1.34 0.00 0.00 72.50 71.99 1msa s THR 9 CO 0.20 -0.75 0.02 -0.76 -0.54 0.00 0.00 174.62 172.79 1msa s LEU 10 N -3.13 3.68 0.75 4.79 1.43 0.22 -4.95 118.68 121.47 1msa s LEU 10 Ca 0.16 -0.89 -0.11 0.00 -1.03 0.00 0.00 54.13 52.26 1msa s LEU 10 Cb 0.04 -1.78 0.04 0.00 0.03 0.00 0.00 46.19 44.52 1msa s LEU 10 CO -0.01 -0.19 1.09 -0.44 0.23 0.00 0.00 176.35 177.02 1msa s SER 11 N 1.39 4.99 -0.00 2.29 0.01 -1.26 -0.40 113.70 120.72 1msa s SER 11 Ca 0.00 1.34 -0.36 0.00 1.31 0.00 0.00 55.95 58.24 1msa s SER 11 Cb -0.18 -2.14 -0.15 0.00 0.21 0.00 0.00 66.02 63.77 1msa s SER 11 CO -0.00 -1.66 1.60 1.07 0.41 0.00 0.00 173.24 174.66 1msa n THR 12 N -3.24 0.19 0.00 1.44 5.66 -1.12 -0.17 114.28 117.04 1msa n THR 12 Ca 0.07 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1msa n THR 12 Cb 0.56 -1.33 0.00 0.00 -1.55 0.00 0.00 70.33 68.01 1msa n THR 12 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1msa n GLY 13 N 3.51 1.87 3.88 1.09 0.00 0.12 -4.94 105.19 110.71 1msa n GLY 13 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.84 3.75 0.26 1.61 2.02 0.76 -4.83 118.70 121.43 1msa s GLU 14 Ca 0.00 0.50 -0.13 0.00 0.02 0.00 0.00 54.97 55.36 1msa s GLU 14 Cb 0.00 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.89 1msa s GLU 14 CO 0.00 -0.11 0.52 -0.59 0.02 0.00 0.00 175.26 175.10 1msa s PHE 15 N -2.49 0.34 0.03 1.61 -0.12 -1.26 -1.41 117.98 114.67 1msa s PHE 15 Ca 0.52 -0.71 0.01 0.00 -0.05 0.00 0.00 56.93 56.70 1msa s PHE 15 Cb -0.10 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.51 1msa s PHE 15 CO 0.34 -1.06 0.07 -0.51 -0.05 0.00 0.00 175.22 174.01 1msa s LEU 16 N -3.02 3.80 0.04 -1.99 1.43 0.40 -4.64 118.68 114.70 1msa s LEU 16 Ca 0.21 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1msa s LEU 16 Cb -0.01 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 1msa s LEU 16 CO 0.10 0.23 0.02 0.54 0.23 0.00 0.00 176.35 177.46 1msa s ASN 17 N -2.00 0.30 -0.30 2.29 4.22 -0.45 -1.12 114.94 117.87 1msa s ASN 17 Ca 0.25 -0.68 -0.13 0.00 -2.14 0.00 0.00 52.86 50.16 1msa s ASN 17 Cb -0.12 0.18 0.16 0.00 1.28 0.00 0.00 41.25 42.75 1msa s ASN 17 CO 0.17 -0.48 0.91 -0.47 -2.04 0.00 0.00 177.10 175.19 1msa s TYR 18 N -2.74 -0.83 0.00 1.54 5.04 -0.44 -3.61 117.35 116.30 1msa s TYR 18 Ca -0.04 1.36 0.00 0.00 -2.44 0.00 0.00 57.07 55.95 1msa s TYR 18 Cb -0.01 0.47 0.00 0.00 0.35 0.00 0.00 41.96 42.77 1msa s TYR 18 CO -0.05 -0.42 0.00 0.41 -1.34 0.00 0.00 175.55 174.15 1msa n GLY 19 N 5.12 3.36 1.08 8.97 0.00 -1.26 0.53 105.19 122.98 1msa n GLY 19 Ca -0.09 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 4.48 3.11 -4.71 1.61 3.41 -1.26 -4.88 113.62 115.38 1msa n SER 20 Ca 0.00 -2.25 -0.35 0.00 -0.26 0.00 0.00 58.87 56.01 1msa n SER 20 Cb 0.00 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.42 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 -1.69 3.37 -0.08 7.33 0.08 0.19 -0.88 117.98 126.28 1msa s PHE 21 Ca 0.32 0.26 -0.00 0.00 0.12 0.00 0.00 56.93 57.62 1msa s PHE 21 Cb 0.20 -2.11 0.02 0.00 -0.57 0.00 0.00 43.02 40.56 1msa s PHE 21 CO 0.16 0.28 -0.05 0.08 -0.10 0.00 0.00 175.22 175.59 1msa s VAL 22 N 0.26 0.72 -0.50 -0.44 1.01 -0.61 -1.32 120.40 119.51 1msa s VAL 22 Ca 0.07 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 1msa s VAL 22 Cb -0.11 -0.77 0.13 0.00 0.00 0.00 0.00 36.38 35.62 1msa s VAL 22 CO -0.01 0.30 0.33 0.12 0.00 0.00 0.00 175.10 175.85 1msa s PHE 23 N 1.55 3.50 -0.07 5.22 5.36 -0.28 0.21 117.98 133.48 1msa s PHE 23 Ca 0.00 -2.30 0.02 0.00 -0.96 0.00 0.00 56.93 53.69 1msa s PHE 23 Cb -0.13 -3.34 -0.02 0.00 -0.34 0.00 0.00 43.02 39.19 1msa s PHE 23 CO -0.04 -0.95 -0.14 -1.50 -1.46 0.00 0.00 175.22 171.13 1msa s ILE 24 N 0.87 3.08 -1.04 3.12 2.07 -0.51 -0.45 121.20 128.34 1msa s ILE 24 Ca 0.10 -0.70 -0.18 0.00 -1.41 0.00 0.00 60.65 58.46 1msa s ILE 24 Cb -0.23 -2.23 0.12 0.00 0.13 0.00 0.00 42.46 40.26 1msa s ILE 24 CO -0.03 0.57 1.30 -0.32 -1.91 0.00 0.00 174.94 174.55 1msa s MET 25 N -0.43 3.75 1.05 3.50 -2.45 -0.50 -2.59 119.30 121.62 1msa s MET 25 Ca 0.05 -1.88 -0.11 0.00 -1.25 0.00 0.00 55.69 52.50 1msa s MET 25 Cb -0.12 -5.07 0.22 0.00 1.25 0.00 0.00 34.83 31.10 1msa s MET 25 CO 0.02 -1.88 1.07 1.04 1.05 0.00 0.00 175.02 176.32 1msa n GLN 26 N 6.85 -1.44 0.12 4.11 6.02 -0.93 0.10 117.38 132.21 1msa n GLN 26 Ca 0.30 -0.37 -0.01 0.00 -0.01 0.00 0.00 57.00 56.91 1msa n GLN 26 Cb 0.48 -2.27 0.26 0.00 1.02 0.00 0.00 30.24 29.73 1msa n GLN 26 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1msa h GLU 27 N -2.29 0.17 -0.06 -1.09 4.57 -1.92 -2.86 114.58 111.11 1msa h GLU 27 Ca -0.52 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 57.58 1msa h GLU 27 Cb 1.30 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 1msa h GLU 27 CO 0.45 0.55 0.00 -0.40 -1.18 0.00 0.00 179.01 178.43 1msa n ASP 28 N -4.03 0.50 -0.02 1.04 5.75 -1.26 -0.82 116.55 117.70 1msa n ASP 28 Ca -0.02 -1.58 -0.00 0.00 -0.01 0.00 0.00 54.79 53.18 1msa n ASP 28 Cb 0.46 -0.04 -0.00 0.00 -1.03 0.00 0.00 41.12 40.52 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 -2.22 6.50 -0.44 0.00 2.47 -1.26 -4.17 114.94 115.82 1msa s ASN 30 Ca 0.00 0.59 -0.16 0.00 0.42 0.00 0.00 52.86 53.72 1msa s ASN 30 Cb 0.00 -2.24 0.05 0.00 -1.45 0.00 0.00 41.25 37.61 1msa s ASN 30 CO 0.00 -0.02 0.37 -0.22 -3.72 0.00 0.00 177.10 173.51 1msa s LEU 31 N 0.95 5.32 0.06 3.21 2.96 -1.26 -2.19 118.68 127.73 1msa s LEU 31 Ca 0.20 -1.08 0.08 0.00 -0.22 0.00 0.00 54.13 53.11 1msa s LEU 31 Cb -0.14 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 1msa s LEU 31 CO 0.08 -0.58 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.65 1msa s VAL 32 N 1.75 2.73 -0.32 1.68 1.01 -1.07 -1.97 120.40 124.22 1msa s VAL 32 Ca 0.06 -1.27 -0.07 0.00 0.00 0.00 0.00 61.98 60.69 1msa s VAL 32 Cb -0.21 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.02 1msa s VAL 32 CO 0.09 0.29 0.10 -0.22 0.00 0.00 0.00 175.10 175.36 1msa s LEU 33 N -1.56 4.07 0.01 3.92 2.96 0.32 -1.43 118.68 126.97 1msa s LEU 33 Ca 0.15 -0.86 0.00 0.00 -0.22 0.00 0.00 54.13 53.21 1msa s LEU 33 Cb -0.10 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1msa s LEU 33 CO 0.06 -0.25 0.08 -0.31 -1.32 0.00 0.00 176.35 174.61 1msa s TYR 34 N 1.48 3.25 -0.51 5.38 2.02 0.13 -0.77 117.35 128.34 1msa s TYR 34 Ca 0.01 0.17 0.02 0.00 -0.37 0.00 0.00 57.07 56.91 1msa s TYR 34 Cb -0.18 -1.71 0.13 0.00 -0.40 0.00 0.00 41.96 39.80 1msa s TYR 34 CO 0.03 0.54 0.26 0.34 -1.57 0.00 0.00 175.55 175.15 1msa s ASP 35 N -1.86 4.59 1.48 2.29 -1.08 0.08 -1.57 116.67 120.60 1msa s ASP 35 Ca 0.24 -2.81 0.00 0.00 -0.52 0.00 0.00 52.55 49.46 1msa s ASP 35 Cb -0.12 -1.69 0.00 0.00 -1.46 0.00 0.00 42.92 39.65 1msa s ASP 35 CO 0.15 -0.29 0.00 0.52 0.52 0.00 0.00 175.17 176.07 1msa n VAL 36 N 3.42 0.00 -0.16 1.11 0.31 -0.06 -1.72 118.33 121.22 1msa n VAL 36 Ca 0.05 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.43 1msa n VAL 36 Cb 0.35 0.00 0.14 0.00 -0.91 0.00 0.00 33.84 33.42 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 10.93 2.83 -4.49 4.52 5.75 -1.26 -4.94 116.55 129.89 1msa n ASP 37 Ca 0.00 -2.00 -0.39 0.00 -0.01 0.00 0.00 54.79 52.39 1msa n ASP 37 Cb 0.00 -0.21 -0.11 0.00 -1.03 0.00 0.00 41.12 39.77 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 -1.00 3.55 -0.17 0.11 2.20 -0.70 -5.05 119.74 118.68 1msa s LYS 38 Ca 0.21 -0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 54.95 1msa s LYS 38 Cb 0.11 -3.61 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 1msa s LYS 38 CO 0.14 -0.34 1.53 -1.25 -0.36 0.00 0.00 175.35 175.07 1msa s PRO 39 N 1.67 4.00 -0.21 4.03 0.05 -1.26 -0.74 135.00 142.55 1msa s PRO 39 Ca 0.06 1.78 0.07 0.00 0.05 0.00 0.00 61.00 62.95 1msa s PRO 39 Cb -0.17 -3.95 -0.21 0.00 0.05 0.00 0.00 34.50 30.22 1msa s PRO 39 CO 0.08 -1.03 -0.00 -0.89 0.05 0.00 0.00 177.00 175.20 1msa n ILE 40 N 5.91 1.50 -3.68 0.56 2.08 0.05 -4.96 119.36 120.82 1msa n ILE 40 Ca 0.17 -0.68 -0.15 0.00 0.56 0.00 0.00 62.75 62.65 1msa n ILE 40 Cb 0.45 -1.14 -0.08 0.00 -0.75 0.00 0.00 39.64 38.12 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 -2.52 -0.38 0.07 1.39 -0.00 -1.19 -5.01 118.94 111.30 1msa s TRP 41 Ca -0.24 0.69 -0.22 0.00 -0.00 0.00 0.00 56.10 56.33 1msa s TRP 41 Cb 0.08 0.20 0.06 0.00 -0.00 0.00 0.00 33.47 33.80 1msa s TRP 41 CO 0.71 -0.43 0.54 0.00 -0.00 0.00 0.00 176.95 177.77 1msa s ALA 42 N -1.00 -1.38 -0.79 5.86 0.00 -1.26 -0.53 121.76 122.67 1msa s ALA 42 Ca -0.10 0.56 0.27 0.00 0.00 0.00 0.00 51.96 52.68 1msa s ALA 42 Cb -0.03 0.50 0.85 0.00 0.00 0.00 0.00 23.12 24.44 1msa s ALA 42 CO 0.05 -0.57 1.76 0.25 0.00 0.00 0.00 175.76 177.25 1msa n THR 43 N 0.20 0.43 -3.54 0.00 -2.24 -0.83 -4.94 114.28 103.36 1msa n THR 43 Ca -0.18 -0.22 -0.21 0.00 -2.27 0.00 0.00 64.05 61.17 1msa n THR 43 Cb 0.61 -0.50 0.08 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.07 -4.86 -0.32 3.42 3.02 -1.26 -4.90 115.26 108.28 1msa n ASN 44 Ca 0.06 -0.57 0.05 0.00 -0.03 0.00 0.00 54.58 54.09 1msa n ASN 44 Cb 0.41 -5.06 0.12 0.00 -0.61 0.00 0.00 39.78 34.64 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 -4.70 1.45 -2.01 3.41 -2.24 -1.26 -5.02 114.28 103.91 1msa n THR 45 Ca -0.10 -1.48 -0.42 0.00 -2.27 0.00 0.00 64.05 59.79 1msa n THR 45 Cb 0.60 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 1msa n THR 45 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1msa s GLY 46 N -1.64 1.95 0.00 3.38 0.00 -1.26 -2.02 107.32 107.73 1msa s GLY 46 Ca 0.21 1.30 0.00 0.00 0.00 0.00 0.00 44.72 46.23 1msa s GLY 46 CO 0.06 2.43 0.00 0.61 0.00 0.00 0.00 173.10 176.20 1msa n GLY 47 N 3.06 0.72 0.33 0.20 0.00 -0.27 -4.91 105.19 104.31 1msa n GLY 47 Ca 0.10 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.27 1msa n GLY 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1msa n LEU 48 N 0.00 1.02 0.00 0.99 4.77 -0.86 -4.96 117.00 117.96 1msa n LEU 48 Ca 0.00 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1msa n LEU 48 Cb 0.00 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1msa n LEU 48 CO 0.00 0.17 0.00 -0.24 -1.33 0.00 0.00 177.39 175.99 1msa n SER 49 N -0.20 0.00 -3.89 -1.43 2.88 -1.26 -5.09 113.62 104.63 1msa n SER 49 Ca 0.21 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.60 1msa n SER 49 Cb 0.28 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.59 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 -1.68 0.24 -0.64 -1.46 1.81 -1.26 -4.03 118.95 111.93 1msa s ARG 50 Ca 0.00 -0.05 -0.00 0.00 -1.72 0.00 0.00 55.73 53.96 1msa s ARG 50 Cb 0.00 -0.29 -0.00 0.00 -0.45 0.00 0.00 34.95 34.21 1msa s ARG 50 CO 0.00 0.00 0.54 0.43 -0.68 0.00 0.00 175.30 175.59 1msa n SER 51 N 3.34 -2.24 -4.91 0.23 7.64 -0.00 -4.64 113.62 113.04 1msa n SER 51 Ca -0.17 -0.34 -0.28 0.00 1.01 0.00 0.00 58.87 59.09 1msa n SER 51 Cb 0.56 -3.01 0.08 0.00 -1.01 0.00 0.00 64.21 60.84 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 -3.50 0.52 -0.13 0.00 -0.71 -0.47 -2.80 117.98 110.89 1msa s PHE 53 Ca 0.61 -0.45 -0.10 0.00 -1.04 0.00 0.00 56.93 55.96 1msa s PHE 53 Cb -0.11 -0.32 -0.05 0.00 -1.21 0.00 0.00 43.02 41.33 1msa s PHE 53 CO 0.48 -0.10 0.20 -1.17 -1.34 0.00 0.00 175.22 173.29 1msa s LEU 54 N -1.34 4.34 -0.11 -1.99 2.96 0.47 -1.33 118.68 121.67 1msa s LEU 54 Ca -0.10 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.30 1msa s LEU 54 Cb -0.09 -2.19 0.02 0.00 0.50 0.00 0.00 46.19 44.43 1msa s LEU 54 CO -0.00 0.30 -0.13 -0.55 -1.32 0.00 0.00 176.35 174.65 1msa s SER 55 N -0.47 2.35 -0.51 3.68 0.15 -0.03 -0.61 113.70 118.25 1msa s SER 55 Ca 0.15 -0.39 -0.16 0.00 0.70 0.00 0.00 55.95 56.24 1msa s SER 55 Cb -0.13 -1.02 0.10 0.00 -1.71 0.00 0.00 66.02 63.26 1msa s SER 55 CO 0.04 -0.03 0.48 -0.32 1.20 0.00 0.00 173.24 174.61 1msa s MET 56 N 1.23 3.00 0.56 5.44 1.75 -0.89 -1.61 119.30 128.78 1msa s MET 56 Ca -0.02 -1.44 -0.08 0.00 -1.25 0.00 0.00 55.69 52.90 1msa s MET 56 Cb -0.14 -4.21 -0.03 0.00 2.84 0.00 0.00 34.83 33.30 1msa s MET 56 CO -0.05 -1.21 0.90 -0.65 -0.65 0.00 0.00 175.02 173.37 1msa s GLN 57 N 1.81 3.42 0.00 4.11 -0.21 -0.57 -0.29 119.66 127.93 1msa s GLN 57 Ca 0.05 0.37 0.26 0.00 0.02 0.00 0.00 55.36 56.06 1msa s GLN 57 Cb -0.26 -2.24 1.43 0.00 1.00 0.00 0.00 33.01 32.94 1msa s GLN 57 CO 0.06 -0.45 1.90 0.25 -2.12 0.00 0.00 175.29 174.92 1msa n THR 58 N -2.52 0.10 1.03 -0.19 -2.24 -1.26 -1.73 114.28 107.47 1msa n THR 58 Ca 0.03 0.02 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 1msa n THR 58 Cb 0.55 -0.61 0.07 0.00 -2.10 0.00 0.00 70.33 68.24 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 -1.15 2.24 0.00 3.42 5.75 -1.26 0.87 116.55 126.42 1msa n ASP 59 Ca 0.16 -1.62 0.00 0.00 -0.01 0.00 0.00 54.79 53.32 1msa n ASP 59 Cb 0.15 0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1msa n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1msa n GLY 60 N 1.39 0.74 3.77 6.12 0.00 -0.70 -1.15 105.19 115.35 1msa n GLY 60 Ca 0.11 0.00 -0.38 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 -2.57 6.81 -0.42 1.61 2.47 -1.26 -4.28 114.94 117.30 1msa s ASN 61 Ca 0.00 0.96 -0.12 0.00 0.42 0.00 0.00 52.86 54.12 1msa s ASN 61 Cb 0.00 -2.29 0.06 0.00 -1.45 0.00 0.00 41.25 37.56 1msa s ASN 61 CO 0.00 0.15 0.28 -0.22 -3.72 0.00 0.00 177.10 173.58 1msa s LEU 62 N -0.21 5.13 -0.06 3.21 2.96 -1.26 -1.51 118.68 126.94 1msa s LEU 62 Ca 0.26 -1.28 0.05 0.00 -0.22 0.00 0.00 54.13 52.94 1msa s LEU 62 Cb -0.17 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 1msa s LEU 62 CO 0.13 -0.51 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.75 1msa s VAL 63 N 1.53 2.46 -0.33 1.68 1.01 -0.63 -1.16 120.40 124.96 1msa s VAL 63 Ca 0.03 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 1msa s VAL 63 Cb -0.22 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1msa s VAL 63 CO 0.05 0.57 0.34 -0.69 0.00 0.00 0.00 175.10 175.37 1msa s VAL 64 N -0.31 5.19 0.03 2.92 1.01 0.85 -0.85 120.40 129.24 1msa s VAL 64 Ca 0.02 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1msa s VAL 64 Cb -0.13 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1msa s VAL 64 CO 0.02 -0.03 -0.00 -0.31 0.00 0.00 0.00 175.10 174.78 1msa s TYR 65 N 1.97 3.03 0.74 5.22 2.02 -0.44 0.62 117.35 130.52 1msa s TYR 65 Ca 0.11 0.03 -0.06 0.00 -0.37 0.00 0.00 57.07 56.78 1msa s TYR 65 Cb -0.17 -1.62 0.10 0.00 -0.40 0.00 0.00 41.96 39.88 1msa s TYR 65 CO 0.11 0.46 1.05 0.54 -1.57 0.00 0.00 175.55 176.14 1msa s ASN 66 N -1.82 4.42 0.63 2.29 2.20 -0.06 -1.36 114.94 121.23 1msa s ASN 66 Ca 0.22 0.18 0.38 0.00 -0.94 0.00 0.00 52.86 52.69 1msa s ASN 66 Cb -0.12 -0.66 2.17 0.00 -2.00 0.00 0.00 41.25 40.64 1msa s ASN 66 CO 0.13 -1.84 2.32 -0.65 -2.94 0.00 0.00 177.10 174.13 1msa h PRO 67 N -0.72 0.00 -0.10 3.55 0.11 -1.83 0.14 132.00 133.16 1msa h PRO 67 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1msa h PRO 67 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1msa h PRO 67 CO 0.50 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.73 1msa n SER 68 N -3.42 1.13 -1.21 -2.05 7.64 -1.26 -4.90 113.62 109.56 1msa n SER 68 Ca -0.03 -1.59 -0.08 0.00 1.01 0.00 0.00 58.87 58.18 1msa n SER 68 Cb 0.08 -0.06 0.01 0.00 -1.01 0.00 0.00 64.21 63.22 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 -0.04 -3.15 -4.73 6.43 3.02 0.50 -5.04 115.26 112.25 1msa n ASN 69 Ca 0.16 -0.09 -0.35 0.00 -0.03 0.00 0.00 54.58 54.27 1msa n ASN 69 Cb 0.25 -2.13 -0.08 0.00 -0.61 0.00 0.00 39.78 37.21 1msa n ASN 69 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1msa s LYS 70 N -4.87 3.80 -0.31 3.52 2.20 -1.24 -4.83 119.74 118.02 1msa s LYS 70 Ca 0.09 -0.26 -0.28 0.00 -0.36 0.00 0.00 55.97 55.16 1msa s LYS 70 Cb -0.04 -3.22 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 1msa s LYS 70 CO 0.12 0.45 1.82 -2.14 -0.36 0.00 0.00 175.35 175.23 1msa s PRO 71 N -0.11 3.37 0.08 4.03 0.02 -1.26 -0.88 135.00 140.24 1msa s PRO 71 Ca 0.08 1.51 0.15 0.00 0.02 0.00 0.00 61.00 62.76 1msa s PRO 71 Cb -0.12 -4.20 -0.13 0.00 0.02 0.00 0.00 34.50 30.07 1msa s PRO 71 CO 0.01 -1.81 0.92 0.82 -0.33 0.00 0.00 177.00 176.60 1msa h ILE 72 N 6.77 0.73 -2.22 2.83 1.08 -0.16 -3.48 117.51 123.05 1msa h ILE 72 Ca -0.34 -2.30 -0.03 0.00 -0.39 0.00 0.00 64.86 61.79 1msa h ILE 72 Cb 1.17 2.24 -0.17 0.00 -3.07 0.00 0.00 36.82 36.99 1msa h ILE 72 CO 1.02 0.42 0.24 0.86 -0.69 0.00 0.00 178.15 180.00 1msa s TRP 73 N -2.84 -0.59 0.03 1.37 -0.00 -1.09 -4.97 118.94 110.84 1msa s TRP 73 Ca -0.02 0.85 -0.19 0.00 -0.00 0.00 0.00 56.10 56.73 1msa s TRP 73 Cb 0.08 0.46 0.04 0.00 -0.00 0.00 0.00 33.47 34.05 1msa s TRP 73 CO 0.81 -0.64 0.44 0.00 -0.00 0.00 0.00 176.95 177.55 1msa s ALA 74 N -1.91 -1.09 -0.88 5.86 0.00 -1.26 -0.11 121.76 122.38 1msa s ALA 74 Ca -0.07 0.43 0.27 0.00 0.00 0.00 0.00 51.96 52.60 1msa s ALA 74 Cb -0.00 0.29 0.83 0.00 0.00 0.00 0.00 23.12 24.24 1msa s ALA 74 CO 0.03 -0.43 1.67 -1.13 0.00 0.00 0.00 175.76 175.90 1msa n SER 75 N 0.61 0.41 -2.42 0.00 3.41 -0.31 -4.94 113.62 110.39 1msa n SER 75 Ca -0.19 0.28 -0.18 0.00 -0.26 0.00 0.00 58.87 58.52 1msa n SER 75 Cb 0.59 -0.27 0.03 0.00 -0.26 0.00 0.00 64.21 64.29 1msa n SER 75 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1msa n ASN 76 N -1.76 -5.21 -0.95 4.04 3.02 -1.26 -4.91 115.26 108.23 1msa n ASN 76 Ca 0.06 -0.22 0.08 0.00 -0.03 0.00 0.00 54.58 54.47 1msa n ASN 76 Cb 0.37 -4.07 0.26 0.00 -0.61 0.00 0.00 39.78 35.73 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 -4.25 2.08 -0.59 3.41 -2.24 -1.26 -5.02 114.28 106.41 1msa n THR 77 Ca -0.10 -1.67 -0.30 0.00 -2.27 0.00 0.00 64.05 59.72 1msa n THR 77 Cb 0.60 -0.11 0.21 0.00 -2.10 0.00 0.00 70.33 68.93 1msa n THR 77 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1msa n GLY 78 N -0.18 -1.04 0.00 3.38 0.00 -1.26 -4.08 105.19 102.01 1msa n GLY 78 Ca 0.20 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1msa n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1msa n GLY 79 N 0.57 -0.02 3.68 -0.02 0.00 -0.30 -4.89 105.19 104.21 1msa n GLY 79 Ca 0.08 -0.17 -0.50 0.00 0.00 0.00 0.00 46.02 45.43 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 1.88 -2.59 1.61 7.27 -1.25 -4.77 117.38 119.53 1msa n GLN 80 Ca 0.00 0.69 -0.41 0.00 0.07 0.00 0.00 57.00 57.34 1msa n GLN 80 Cb 0.00 -2.47 -0.04 0.00 2.41 0.00 0.00 30.24 30.15 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 2.99 7.33 0.00 1.69 3.84 -1.26 -4.23 114.94 125.29 1msa s ASN 81 Ca 0.90 1.95 0.00 0.00 0.21 0.00 0.00 52.86 55.93 1msa s ASN 81 Cb -0.79 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 37.32 1msa s ASN 81 CO 0.51 -0.20 0.00 0.61 -2.79 0.00 0.00 177.10 175.23 1msa n GLY 82 N 2.31 -0.66 3.46 1.21 0.00 0.25 -4.97 105.19 106.79 1msa n GLY 82 Ca 0.04 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 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 5.09 0.21 1.61 0.01 -1.26 -4.59 114.94 112.01 1msa s ASN 83 Ca 0.00 -0.18 0.07 0.00 -0.71 0.00 0.00 52.86 52.04 1msa s ASN 83 Cb 0.00 -1.90 -0.05 0.00 0.41 0.00 0.00 41.25 39.71 1msa s ASN 83 CO 0.00 0.01 -0.11 -0.31 -1.51 0.00 0.00 177.10 175.18 1msa s TYR 84 N 1.34 1.64 -0.01 2.20 1.51 -1.26 -2.61 117.35 120.16 1msa s TYR 84 Ca 0.05 -0.66 0.01 0.00 -1.01 0.00 0.00 57.07 55.46 1msa s TYR 84 Cb -0.15 -0.82 -0.00 0.00 -0.11 0.00 0.00 41.96 40.88 1msa s TYR 84 CO 0.03 0.25 -0.04 0.14 -1.11 0.00 0.00 175.55 174.83 1msa s VAL 85 N -3.09 0.31 -0.26 0.71 -7.23 -0.50 -0.70 120.40 109.63 1msa s VAL 85 Ca 0.23 -0.15 -0.06 0.00 -1.81 0.00 0.00 61.98 60.19 1msa s VAL 85 Cb 0.01 -0.27 -0.01 0.00 0.56 0.00 0.00 36.38 36.67 1msa s VAL 85 CO 0.06 0.10 0.04 0.00 -0.31 0.00 0.00 175.10 174.99 1msa s ILE 87 N 1.52 2.42 -0.67 0.00 1.01 -0.09 0.24 121.20 125.62 1msa s ILE 87 Ca 0.04 -0.91 -0.20 0.00 0.00 0.00 0.00 60.65 59.59 1msa s ILE 87 Cb -0.16 -1.94 0.10 0.00 0.01 0.00 0.00 42.46 40.47 1msa s ILE 87 CO 0.01 0.56 0.85 -0.22 0.00 0.00 0.00 174.94 176.14 1msa s LEU 88 N 0.12 5.10 0.86 2.97 2.96 0.43 -1.74 118.68 129.39 1msa s LEU 88 Ca -0.10 -1.45 -0.12 0.00 -0.22 0.00 0.00 54.13 52.24 1msa s LEU 88 Cb -0.16 -2.35 0.11 0.00 0.50 0.00 0.00 46.19 44.29 1msa s LEU 88 CO 0.06 -1.18 1.10 -1.10 -1.32 0.00 0.00 176.35 173.91 1msa s GLN 89 N 2.99 1.53 0.57 1.98 -0.21 -0.02 -4.84 119.66 121.65 1msa s GLN 89 Ca 0.18 0.63 0.35 0.00 0.02 0.00 0.00 55.36 56.54 1msa s GLN 89 Cb -0.18 -1.86 1.50 0.00 1.00 0.00 0.00 33.01 33.47 1msa s GLN 89 CO 0.04 -2.01 2.03 1.57 -2.12 0.00 0.00 175.29 174.81 1msa h LYS 90 N -1.37 0.00 -0.45 2.91 2.10 -1.96 -2.28 116.57 115.52 1msa h LYS 90 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1msa h LYS 90 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1msa h LYS 90 CO 0.58 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.63 1msa n ASP 91 N -3.09 2.34 0.00 7.07 5.75 -1.26 -4.91 116.55 122.45 1msa n ASP 91 Ca 0.00 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 1msa n ASP 91 Cb 0.28 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 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 0.67 -0.02 -3.25 0.11 0.63 -0.86 -5.02 116.66 108.93 1msa n ARG 92 Ca 0.14 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.70 1msa n ARG 92 Cb 0.39 -2.69 -0.06 0.00 0.45 0.00 0.00 32.46 30.54 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 -2.79 7.00 -0.37 6.15 3.84 -1.26 -4.84 114.94 122.67 1msa s ASN 93 Ca 0.00 1.25 -0.07 0.00 0.21 0.00 0.00 52.86 54.25 1msa s ASN 93 Cb 0.00 -2.36 0.06 0.00 -0.55 0.00 0.00 41.25 38.40 1msa s ASN 93 CO 0.00 0.16 0.17 -0.69 -2.79 0.00 0.00 177.10 173.95 1msa s VAL 94 N -1.32 3.91 0.09 -5.21 1.01 -1.26 -0.84 120.40 116.77 1msa s VAL 94 Ca 0.35 -1.30 0.09 0.00 0.00 0.00 0.00 61.98 61.12 1msa s VAL 94 Cb -0.18 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1msa s VAL 94 CO 0.20 -0.34 -0.22 -0.69 0.00 0.00 0.00 175.10 174.05 1msa s VAL 95 N 1.39 2.56 -0.20 2.92 1.01 -0.71 -4.95 120.40 122.42 1msa s VAL 95 Ca 0.01 -1.46 -0.07 0.00 0.00 0.00 0.00 61.98 60.46 1msa s VAL 95 Cb -0.21 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1msa s VAL 95 CO 0.02 0.21 0.05 -0.63 0.00 0.00 0.00 175.10 174.75 1msa s ILE 96 N -1.00 4.54 0.06 2.22 1.01 -1.26 -0.92 121.20 125.86 1msa s ILE 96 Ca 0.15 -0.11 0.08 0.00 0.00 0.00 0.00 60.65 60.77 1msa s ILE 96 Cb -0.10 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 1msa s ILE 96 CO 0.06 0.42 -0.23 -0.31 0.00 0.00 0.00 174.94 174.88 1msa s TYR 97 N 0.77 2.02 0.00 3.97 1.51 -0.30 -4.99 117.35 120.34 1msa s TYR 97 Ca 0.03 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 1msa s TYR 97 Cb -0.14 -1.18 0.00 0.00 -0.11 0.00 0.00 41.96 40.54 1msa s TYR 97 CO 0.02 0.15 0.00 0.41 -1.11 0.00 0.00 175.55 175.02 1msa n GLY 98 N 1.59 2.08 0.56 0.71 0.00 -1.26 -1.42 105.19 107.45 1msa n GLY 98 Ca -0.18 -0.90 -0.04 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.72 0.00 -2.10 2.61 -2.24 -1.26 -5.07 114.28 105.50 1msa n THR 99 Ca 0.00 -0.20 -0.41 0.00 -2.27 0.00 0.00 64.05 61.16 1msa n THR 99 Cb 0.00 -1.47 -0.03 0.00 -2.10 0.00 0.00 70.33 66.73 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 -1.62 6.76 -0.16 3.42 -4.77 -1.07 -4.92 116.67 114.31 1msa s ASP 100 Ca 0.10 2.54 0.15 0.00 -3.30 0.00 0.00 52.55 52.03 1msa s ASP 100 Cb -0.00 -2.61 -0.21 0.00 -1.09 0.00 0.00 42.92 39.00 1msa s ASP 100 CO 0.07 -0.63 0.07 0.54 0.70 0.00 0.00 175.17 175.91 1msa n ARG 101 N 2.62 1.24 -3.50 2.11 5.12 -1.26 -5.00 116.66 117.99 1msa n ARG 101 Ca 0.07 -0.01 -0.15 0.00 -1.93 0.00 0.00 57.85 55.82 1msa n ARG 101 Cb 0.41 -1.43 -0.05 0.00 -1.16 0.00 0.00 32.46 30.24 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 -2.44 -0.57 -0.06 -1.55 -0.00 -1.26 -5.18 118.94 107.88 1msa s TRP 102 Ca -0.08 0.75 -0.23 0.00 -0.00 0.00 0.00 56.10 56.54 1msa s TRP 102 Cb 0.05 0.44 0.05 0.00 -0.00 0.00 0.00 33.47 34.01 1msa s TRP 102 CO 0.69 -0.69 0.51 0.00 -0.00 0.00 0.00 176.95 177.46 1msa s ALA 103 N -2.21 -1.31 0.28 5.86 0.00 -1.26 -5.03 121.76 118.09 1msa s ALA 103 Ca -0.06 0.95 0.04 0.00 0.00 0.00 0.00 51.96 52.88 1msa s ALA 103 Cb -0.00 -0.09 0.40 0.00 0.00 0.00 0.00 23.12 23.42 1msa s ALA 103 CO 0.01 -0.31 1.69 1.79 0.00 0.00 0.00 175.76 178.94 1msa h THR 104 N 3.53 1.29 -0.05 0.00 1.35 -2.06 -3.47 112.91 113.51 1msa h THR 104 Ca -0.28 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 1msa h THR 104 Cb 1.16 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 1msa h THR 104 CO 0.36 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 176.68 1msa n GLY 105 N -0.23 0.79 1.31 5.82 0.00 -1.26 -4.98 105.19 106.64 1msa n GLY 105 Ca -0.01 -0.65 0.02 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.16 2.55 -2.13 2.61 -2.24 -1.26 -5.02 114.28 105.63 1msa n THR 106 Ca 0.00 -1.96 -0.35 0.00 -2.27 0.00 0.00 64.05 59.47 1msa n THR 106 Cb 0.37 -0.30 0.02 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.96 2.55 0.22 4.78 -3.43 -1.26 -5.05 115.29 110.14 1msa s HIS 107 Ca 0.47 1.53 0.03 0.00 -0.80 0.00 0.00 55.06 56.30 1msa s HIS 107 Cb 0.39 -3.36 0.03 0.00 -1.43 0.00 0.00 32.58 28.21 1msa s HIS 107 CO 0.09 -1.83 0.26 0.25 -2.00 0.00 0.00 174.74 171.50 1msa n THR 108 N -1.49 0.00 -1.09 -5.38 -2.24 -1.26 -5.25 114.28 97.57 1msa n THR 108 Ca 0.12 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1msa n THR 108 Cb 0.50 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 1msa n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11