#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swb h ILE 17 N 0.00 0.89 -1.87 -0.61 2.04 -1.97 -3.47 117.51 112.52 1swb h ILE 17 Ca 0.00 -2.48 -0.65 0.00 1.00 0.00 0.00 64.86 62.73 1swb h ILE 17 Cb 0.00 2.73 0.05 0.00 -0.74 0.00 0.00 36.82 38.86 1swb h ILE 17 CO 0.00 0.86 0.58 0.41 0.00 0.00 0.00 178.15 180.00 1swb n THR 18 N -3.60 0.02 -0.61 -0.27 -1.04 -1.26 -4.79 114.28 102.72 1swb n THR 18 Ca -0.26 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 1swb n THR 18 Cb 1.06 -1.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 1swb n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swb n GLY 19 N 2.88 0.68 3.70 3.41 0.00 -0.20 -5.01 105.19 110.65 1swb n GLY 19 Ca 0.18 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 1swb n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swb s THR 20 N -2.48 4.80 0.03 2.61 2.01 -1.26 -1.92 115.64 119.43 1swb s THR 20 Ca 0.00 -0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.00 1swb s THR 20 Cb 0.00 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 1swb s THR 20 CO 0.00 0.53 -0.14 0.26 -0.69 0.00 0.00 174.62 174.59 1swb s TRP 21 N -0.25 1.19 0.06 4.92 0.52 0.07 -4.65 118.94 120.80 1swb s TRP 21 Ca 0.08 -0.34 0.09 0.00 0.02 0.00 0.00 56.10 55.95 1swb s TRP 21 Cb -0.12 -0.71 -0.03 0.00 -1.15 0.00 0.00 33.47 31.46 1swb s TRP 21 CO 0.01 0.02 -0.24 0.71 0.02 0.00 0.00 176.95 177.48 1swb s TYR 22 N -0.78 2.05 0.32 -1.98 1.51 0.13 -2.03 117.35 116.57 1swb s TYR 22 Ca 0.02 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.72 1swb s TYR 22 Cb -0.07 -1.20 0.04 0.00 -0.11 0.00 0.00 41.96 40.62 1swb s TYR 22 CO 0.01 0.15 0.34 0.27 -1.11 0.00 0.00 175.55 175.21 1swb n ASN 23 N 1.59 1.60 -0.77 2.29 0.23 -0.99 -0.74 115.26 118.46 1swb n ASN 23 Ca -0.17 -1.97 0.06 0.00 -0.53 0.00 0.00 54.58 51.96 1swb n ASN 23 Cb 0.53 -0.13 0.17 0.00 -2.08 0.00 0.00 39.78 38.27 1swb n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1swb n GLN 24 N -1.46 2.05 -0.53 -3.83 0.00 -1.26 -4.03 117.38 108.31 1swb n GLN 24 Ca 0.04 -1.38 0.07 0.00 0.00 0.00 0.00 57.00 55.73 1swb n GLN 24 Cb 0.34 -1.39 0.14 0.00 0.00 0.00 0.00 30.24 29.34 1swb n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1swb n LEU 25 N 0.54 2.13 0.00 2.61 4.77 -1.26 -4.97 117.00 120.82 1swb n LEU 25 Ca 0.13 -3.14 0.00 0.00 -0.03 0.00 0.00 56.01 52.97 1swb n LEU 25 Cb 0.38 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1swb n LEU 25 CO 0.10 0.96 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1swb n GLY 26 N -0.92 0.62 3.75 -0.72 0.00 -1.26 -5.05 105.19 101.61 1swb n GLY 26 Ca 0.15 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 1swb n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swb s SER 27 N -2.72 5.50 0.02 1.61 0.01 -1.26 -4.83 113.70 112.04 1swb s SER 27 Ca 0.00 0.11 0.06 0.00 1.31 0.00 0.00 55.95 57.43 1swb s SER 27 Cb 0.00 -1.55 -0.02 0.00 0.21 0.00 0.00 66.02 64.67 1swb s SER 27 CO 0.00 0.29 -0.17 -0.89 0.41 0.00 0.00 173.24 172.88 1swb s THR 28 N -1.13 1.32 -0.00 1.44 2.01 -0.26 -2.34 115.64 116.68 1swb s THR 28 Ca 0.21 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 61.22 1swb s THR 28 Cb -0.12 -1.14 -0.00 0.00 0.01 0.00 0.00 72.50 71.25 1swb s THR 28 CO 0.11 0.19 0.10 0.72 -0.69 0.00 0.00 174.62 175.06 1swb s PHE 29 N -0.65 0.05 -0.15 4.92 -0.12 -0.86 -0.24 117.98 120.92 1swb s PHE 29 Ca 0.05 -0.12 0.02 0.00 -0.05 0.00 0.00 56.93 56.83 1swb s PHE 29 Cb -0.07 -0.06 0.01 0.00 -0.63 0.00 0.00 43.02 42.27 1swb s PHE 29 CO 0.01 -0.22 -0.20 0.42 -0.05 0.00 0.00 175.22 175.18 1swb s ILE 30 N -1.10 2.21 0.02 -4.49 1.09 -0.45 -0.75 121.20 117.73 1swb s ILE 30 Ca -0.12 -0.92 0.04 0.00 -1.10 0.00 0.00 60.65 58.55 1swb s ILE 30 Cb -0.07 -1.91 -0.02 0.00 -1.06 0.00 0.00 42.46 39.41 1swb s ILE 30 CO 0.01 0.54 -0.12 0.54 -0.10 0.00 0.00 174.94 175.81 1swb s VAL 31 N 0.92 0.91 -0.15 2.92 0.11 -0.81 -1.40 120.40 122.90 1swb s VAL 31 Ca -0.04 -0.74 -0.01 0.00 -2.93 0.00 0.00 61.98 58.26 1swb s VAL 31 Cb -0.15 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 33.88 1swb s VAL 31 CO -0.04 0.07 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.79 1swb s THR 32 N -0.62 2.94 -0.40 5.04 2.01 0.13 -1.03 115.64 123.72 1swb s THR 32 Ca 0.01 -0.68 -0.14 0.00 0.31 0.00 0.00 61.69 61.19 1swb s THR 32 Cb -0.06 -2.25 0.02 0.00 0.01 0.00 0.00 72.50 70.21 1swb s THR 32 CO 0.00 0.51 0.28 0.00 -0.69 0.00 0.00 174.62 174.72 1swb s ALA 33 N 0.71 3.45 0.59 7.40 0.00 -1.26 -1.81 121.76 130.84 1swb s ALA 33 Ca -0.06 -1.69 -0.13 0.00 0.00 0.00 0.00 51.96 50.08 1swb s ALA 33 Cb -0.15 -2.82 -0.05 0.00 0.00 0.00 0.00 23.12 20.10 1swb s ALA 33 CO 0.02 -1.41 1.02 0.20 0.00 0.00 0.00 175.76 175.59 1swb s GLY 34 N 1.66 1.79 0.55 0.00 0.00 0.46 -4.90 107.32 106.89 1swb s GLY 34 Ca 0.05 0.01 0.33 0.00 0.00 0.00 0.00 44.72 45.10 1swb s GLY 34 CO 0.09 0.28 2.06 0.00 0.00 0.00 0.00 173.10 175.54 1swb h ALA 35 N 0.05 1.08 -0.15 3.20 0.00 -1.99 -1.65 119.26 119.81 1swb h ALA 35 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1swb h ALA 35 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1swb h ALA 35 CO 0.62 0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.55 1swb n ASP 36 N -3.28 1.46 0.00 0.00 5.75 -1.26 -4.91 116.55 114.30 1swb n ASP 36 Ca -0.01 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 1swb n ASP 36 Cb 0.26 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 1swb n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swb n GLY 37 N 1.08 0.76 3.75 6.12 0.00 -0.62 -4.99 105.19 111.29 1swb n GLY 37 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1swb n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swb s ALA 38 N -2.35 3.35 -0.18 4.61 0.00 -1.25 -1.98 121.76 123.95 1swb s ALA 38 Ca 0.00 0.55 -0.02 0.00 0.00 0.00 0.00 51.96 52.49 1swb s ALA 38 Cb 0.00 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 1swb s ALA 38 CO 0.00 0.20 -0.09 -0.51 0.00 0.00 0.00 175.76 175.36 1swb s LEU 39 N -1.03 2.74 0.01 0.00 1.02 -0.41 -0.40 118.68 120.61 1swb s LEU 39 Ca 0.40 -0.40 -0.02 0.00 0.02 0.00 0.00 54.13 54.14 1swb s LEU 39 Cb -0.25 -1.66 -0.01 0.00 0.02 0.00 0.00 46.19 44.29 1swb s LEU 39 CO 0.30 0.05 0.02 0.42 0.02 0.00 0.00 176.35 177.16 1swb s THR 40 N 1.07 0.07 -1.26 5.49 -4.23 -0.75 -1.78 115.64 114.24 1swb s THR 40 Ca 0.00 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 1swb s THR 40 Cb -0.15 -0.21 0.00 0.00 1.34 0.00 0.00 72.50 73.48 1swb s THR 40 CO -0.02 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 1swb n GLY 41 N 2.12 -0.58 3.13 3.99 0.00 -1.00 -0.69 105.19 112.15 1swb n GLY 41 Ca -0.19 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 1swb n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swb s THR 42 N -3.20 1.15 -0.16 2.61 2.01 -0.49 -0.61 115.64 116.94 1swb s THR 42 Ca 0.00 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.28 1swb s THR 42 Cb 0.00 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.53 1swb s THR 42 CO 0.00 0.24 -0.15 -0.47 -0.69 0.00 0.00 174.62 173.55 1swb s TYR 43 N -0.47 2.79 -0.44 4.92 6.14 1.00 -1.35 117.35 129.94 1swb s TYR 43 Ca 0.05 -1.14 -0.10 0.00 0.64 0.00 0.00 57.07 56.51 1swb s TYR 43 Cb -0.06 -1.91 0.09 0.00 0.42 0.00 0.00 41.96 40.49 1swb s TYR 43 CO -0.00 -0.54 0.30 -1.21 0.64 0.00 0.00 175.55 174.74 1swb s GLU 44 N 0.96 2.64 0.41 4.97 8.01 0.67 -0.62 118.70 135.73 1swb s GLU 44 Ca -0.03 -1.51 0.17 0.00 0.01 0.00 0.00 54.97 53.61 1swb s GLU 44 Cb -0.15 -3.87 0.91 0.00 -4.31 0.00 0.00 34.13 26.71 1swb s GLU 44 CO -0.03 -1.02 1.88 0.66 0.01 0.00 0.00 175.26 176.76 1swb h SER 45 N 8.48 0.00 -3.88 -0.19 4.64 -1.66 -0.66 113.55 120.28 1swb h SER 45 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1swb h SER 45 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1swb h SER 45 CO 0.80 0.30 -0.68 -0.46 -0.87 0.00 0.00 176.83 175.92 1swb n ASN 49 N -3.92 -6.65 -0.03 4.97 6.94 -1.26 -4.80 115.26 110.51 1swb n ASN 49 Ca -0.02 1.28 0.24 0.00 -0.02 0.00 0.00 54.58 56.06 1swb n ASN 49 Cb 0.37 -4.10 0.72 0.00 -2.36 0.00 0.00 39.78 34.41 1swb n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1swb h ALA 50 N 2.84 2.47 -0.63 -2.53 0.00 -2.03 1.39 119.26 120.77 1swb h ALA 50 Ca 0.00 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.07 1swb h ALA 50 Cb 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1swb h ALA 50 CO 0.00 -0.85 0.48 0.93 0.00 0.00 0.00 179.25 179.81 1swb h GLU 51 N 0.00 0.00 -0.45 0.00 5.08 -2.02 -2.17 114.58 115.01 1swb h GLU 51 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1swb h GLU 51 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1swb h GLU 51 CO -0.00 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.44 1swb n SER 52 N -4.21 4.07 -4.76 1.42 7.64 0.48 -4.80 113.62 113.46 1swb n SER 52 Ca 0.12 -2.51 -0.36 0.00 1.01 0.00 0.00 58.87 57.13 1swb n SER 52 Cb 0.73 -0.48 -0.08 0.00 -1.01 0.00 0.00 64.21 63.37 1swb n SER 52 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1swb s ARG 53 N -1.94 3.71 0.04 1.43 0.52 -0.82 -2.02 118.95 119.87 1swb s ARG 53 Ca 0.41 -0.24 0.03 0.00 -0.52 0.00 0.00 55.73 55.41 1swb s ARG 53 Cb 0.28 -3.20 -0.02 0.00 0.52 0.00 0.00 34.95 32.53 1swb s ARG 53 CO 0.17 0.52 -0.09 0.71 0.02 0.00 0.00 175.30 176.63 1swb s TYR 54 N -0.32 0.81 0.33 -0.53 1.51 0.21 -4.80 117.35 114.56 1swb s TYR 54 Ca 0.10 -0.42 -0.28 0.00 -1.01 0.00 0.00 57.07 55.46 1swb s TYR 54 Cb -0.12 -0.48 -0.10 0.00 -0.11 0.00 0.00 41.96 41.16 1swb s TYR 54 CO 0.01 -0.03 1.18 0.08 -1.11 0.00 0.00 175.55 175.68 1swb s VAL 55 N -1.12 3.17 0.14 0.71 1.01 -1.26 -0.00 120.40 123.04 1swb s VAL 55 Ca -0.06 1.12 0.10 0.00 0.00 0.00 0.00 61.98 63.14 1swb s VAL 55 Cb -0.09 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1swb s VAL 55 CO 0.01 0.23 -0.22 -1.48 0.00 0.00 0.00 175.10 173.63 1swb s LEU 56 N -1.84 2.36 -0.11 3.92 0.05 0.22 -4.43 118.68 118.85 1swb s LEU 56 Ca 0.49 -0.77 -0.15 0.00 0.05 0.00 0.00 54.13 53.74 1swb s LEU 56 Cb -0.34 -1.01 0.04 0.00 -2.05 0.00 0.00 46.19 42.83 1swb s LEU 56 CO 0.44 0.08 0.40 0.28 -0.55 0.00 0.00 176.35 177.00 1swb s THR 57 N -1.43 0.01 0.00 5.48 -1.32 -0.97 -2.37 115.64 115.05 1swb s THR 57 Ca 0.13 -0.12 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1swb s THR 57 Cb -0.09 -0.61 0.00 0.00 -1.51 0.00 0.00 72.50 70.30 1swb s THR 57 CO 0.06 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1swb n GLY 58 N 2.34 1.29 3.11 6.08 0.00 -0.74 -0.73 105.19 116.55 1swb n GLY 58 Ca -0.16 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 44.89 1swb n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swb s ARG 59 N -1.80 0.64 0.13 1.61 1.81 -0.57 -1.28 118.95 119.49 1swb s ARG 59 Ca 0.00 -1.18 -0.19 0.00 -1.72 0.00 0.00 55.73 52.64 1swb s ARG 59 Cb 0.00 0.23 0.05 0.00 -0.45 0.00 0.00 34.95 34.78 1swb s ARG 59 CO 0.00 -0.13 0.49 1.52 -0.68 0.00 0.00 175.30 176.49 1swb s TYR 60 N -3.90 -0.35 -0.48 -0.53 1.13 -0.84 -1.55 117.35 110.84 1swb s TYR 60 Ca 0.07 0.11 -0.29 0.00 -1.41 0.00 0.00 57.07 55.55 1swb s TYR 60 Cb 0.07 0.38 0.02 0.00 -1.10 0.00 0.00 41.96 41.33 1swb s TYR 60 CO -0.10 -0.75 1.33 0.34 -2.51 0.00 0.00 175.55 173.86 1swb s ASP 61 N -2.70 6.36 0.00 -0.18 2.15 -0.61 -4.63 116.67 117.06 1swb s ASP 61 Ca 0.01 0.55 0.31 0.00 0.43 0.00 0.00 52.55 53.85 1swb s ASP 61 Cb 0.01 -2.54 1.78 0.00 -0.30 0.00 0.00 42.92 41.86 1swb s ASP 61 CO -0.11 -1.47 2.14 -1.54 -0.17 0.00 0.00 175.17 174.02 1swb n SER 62 N 8.76 0.00 -3.08 -0.34 3.41 -1.26 -3.95 113.62 117.16 1swb n SER 62 Ca 0.14 -0.82 -0.19 0.00 -0.26 0.00 0.00 58.87 57.73 1swb n SER 62 Cb 0.49 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.35 1swb n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swb n ALA 63 N -1.05 1.33 -1.01 7.33 0.00 -1.26 -5.04 120.51 120.81 1swb n ALA 63 Ca 0.22 -2.77 -0.30 0.00 0.00 0.00 0.00 53.44 50.59 1swb n ALA 63 Cb 0.13 -0.97 0.23 0.00 0.00 0.00 0.00 19.45 18.84 1swb n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swb s PRO 64 N -0.50 -0.91 0.57 0.00 0.04 -1.25 -5.02 135.00 127.92 1swb s PRO 64 Ca 0.34 0.17 -0.15 0.00 0.04 0.00 0.00 61.00 61.39 1swb s PRO 64 Cb 0.16 -1.61 -0.05 0.00 0.04 0.00 0.00 34.50 33.04 1swb s PRO 64 CO -0.15 -3.55 1.02 0.00 0.04 0.00 0.00 177.00 174.36 1swb s ALA 65 N -2.90 2.92 -0.21 8.56 0.00 -1.26 -4.98 121.76 123.89 1swb s ALA 65 Ca 0.69 0.23 0.15 0.00 0.00 0.00 0.00 51.96 53.03 1swb s ALA 65 Cb -0.14 -3.16 0.56 0.00 0.00 0.00 0.00 23.12 20.38 1swb s ALA 65 CO 0.57 -0.57 1.47 -2.37 0.00 0.00 0.00 175.76 174.86 1swb n THR 66 N -1.97 2.39 -0.85 0.00 5.66 -1.26 -4.61 114.28 113.63 1swb n THR 66 Ca 0.07 -1.95 0.08 0.00 -3.05 0.00 0.00 64.05 59.20 1swb n THR 66 Cb 0.54 -0.27 0.38 0.00 -1.55 0.00 0.00 70.33 69.43 1swb n THR 66 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1swb n ASP 67 N -0.52 5.39 0.00 1.09 5.75 -1.26 -4.90 116.55 122.10 1swb n ASP 67 Ca 0.24 -2.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.19 1swb n ASP 67 Cb 0.96 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 1swb n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swb n GLY 68 N 0.63 0.51 3.81 6.12 0.00 -1.26 -5.07 105.19 109.93 1swb n GLY 68 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 1swb n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swb s SER 69 N -2.90 6.54 0.89 1.61 0.01 -1.26 -5.07 113.70 113.53 1swb s SER 69 Ca 0.00 1.78 -0.13 0.00 1.31 0.00 0.00 55.95 58.91 1swb s SER 69 Cb 0.00 -2.54 0.13 0.00 0.21 0.00 0.00 66.02 63.82 1swb s SER 69 CO 0.00 -0.64 1.18 -0.83 0.41 0.00 0.00 173.24 173.37 1swb s GLY 70 N -2.28 1.62 -0.31 3.44 0.00 -1.26 -4.84 107.32 103.69 1swb s GLY 70 Ca 0.64 -0.71 -0.12 0.00 0.00 0.00 0.00 44.72 44.53 1swb s GLY 70 CO 0.21 -0.13 0.24 -1.59 0.00 0.00 0.00 173.10 171.82 1swb s THR 71 N -3.50 5.28 0.43 0.90 2.01 -0.17 -4.83 115.64 115.76 1swb s THR 71 Ca 0.65 -0.00 -0.23 0.00 0.31 0.00 0.00 61.69 62.41 1swb s THR 71 Cb -0.11 -3.65 -0.08 0.00 0.01 0.00 0.00 72.50 68.67 1swb s THR 71 CO 0.52 0.10 1.09 0.00 -0.69 0.00 0.00 174.62 175.63 1swb s ALA 72 N 1.78 3.04 0.26 7.40 0.00 -1.26 -0.99 121.76 131.97 1swb s ALA 72 Ca 0.07 0.78 -0.20 0.00 0.00 0.00 0.00 51.96 52.61 1swb s ALA 72 Cb -0.17 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.67 1swb s ALA 72 CO 0.11 -0.38 0.66 -0.48 0.00 0.00 0.00 175.76 175.67 1swb s LEU 73 N -2.82 -0.19 0.02 0.00 2.34 -0.86 -1.57 118.68 115.60 1swb s LEU 73 Ca 0.60 -0.57 -0.27 0.00 0.06 0.00 0.00 54.13 53.95 1swb s LEU 73 Cb -0.24 2.55 0.09 0.00 -0.56 0.00 0.00 46.19 48.02 1swb s LEU 73 CO 0.30 -1.26 0.74 -0.83 -1.06 0.00 0.00 176.35 174.24 1swb s GLY 74 N -2.91 -0.53 0.16 -3.48 0.00 -0.59 -1.83 107.32 98.14 1swb s GLY 74 Ca 0.11 1.04 -0.13 0.00 0.00 0.00 0.00 44.72 45.74 1swb s GLY 74 CO 0.04 0.53 0.38 0.66 0.00 0.00 0.00 173.10 174.72 1swb s TRP 75 N -2.57 0.08 0.00 1.90 -2.14 -0.62 -1.52 118.94 114.08 1swb s TRP 75 Ca -0.02 -0.44 0.04 0.00 2.66 0.00 0.00 56.10 58.34 1swb s TRP 75 Cb -0.01 0.16 -0.01 0.00 -3.10 0.00 0.00 33.47 30.51 1swb s TRP 75 CO -0.04 -0.77 -0.12 0.99 -2.66 0.00 0.00 176.95 174.35 1swb s THR 76 N -3.89 0.94 -0.13 0.66 2.01 0.10 -0.94 115.64 114.38 1swb s THR 76 Ca 0.11 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.51 1swb s THR 76 Cb 0.02 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.74 1swb s THR 76 CO -0.04 0.19 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.24 1swb s VAL 77 N -0.41 1.56 -0.13 3.82 1.01 -0.52 -2.30 120.40 123.42 1swb s VAL 77 Ca 0.04 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.18 1swb s VAL 77 Cb -0.05 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1swb s VAL 77 CO -0.00 0.45 0.49 0.00 0.00 0.00 0.00 175.10 176.04 1swb s ALA 78 N 1.21 3.49 -1.51 5.51 0.00 -1.26 -1.22 121.76 127.97 1swb s ALA 78 Ca -0.01 -0.23 -0.08 0.00 0.00 0.00 0.00 51.96 51.63 1swb s ALA 78 Cb -0.14 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 1swb s ALA 78 CO -0.06 -0.10 2.73 0.91 0.00 0.00 0.00 175.76 179.25 1swb n TRP 79 N 3.91 2.51 -4.50 0.00 7.02 -0.62 -4.77 117.44 120.99 1swb n TRP 79 Ca -0.06 -2.99 -0.24 0.00 -1.02 0.00 0.00 57.50 53.19 1swb n TRP 79 Cb 0.51 -2.25 -0.16 0.00 -2.42 0.00 0.00 31.31 26.99 1swb n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swb s LYS 80 N 0.95 1.51 0.00 -0.99 2.20 -1.26 -1.27 119.74 120.88 1swb s LYS 80 Ca 0.63 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 1swb s LYS 80 Cb 0.18 -1.28 0.00 0.00 -1.51 0.00 0.00 37.83 35.22 1swb s LYS 80 CO -0.07 0.01 0.00 0.27 -0.36 0.00 0.00 175.35 175.20 1swb n ASN 81 N 3.84 0.69 0.00 1.43 0.23 -0.81 -4.78 115.26 115.86 1swb n ASN 81 Ca -0.23 -0.73 0.11 0.00 -0.53 0.00 0.00 54.58 53.19 1swb n ASN 81 Cb 0.52 0.00 0.63 0.00 -2.08 0.00 0.00 39.78 38.85 1swb n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swb n ASN 82 N -1.69 0.00 -0.01 0.53 5.03 -1.26 -3.55 115.26 114.31 1swb n ASN 82 Ca 0.00 -0.82 -0.01 0.00 0.87 0.00 0.00 54.58 54.62 1swb n ASN 82 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.74 1swb n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1swb n TYR 83 N -0.95 0.00 -3.81 3.10 4.01 -1.26 -5.10 117.16 113.15 1swb n TYR 83 Ca 0.16 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.81 1swb n TYR 83 Cb 0.07 -0.09 -0.04 0.00 -0.31 0.00 0.00 39.34 38.98 1swb n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1swb s ARG 84 N -2.05 1.52 -0.26 -0.72 3.03 -1.23 -5.15 118.95 114.08 1swb s ARG 84 Ca -0.01 -0.96 -0.04 0.00 2.03 0.00 0.00 55.73 56.75 1swb s ARG 84 Cb 0.01 0.54 0.14 0.00 -1.03 0.00 0.00 34.95 34.60 1swb s ARG 84 CO 0.08 -0.66 0.50 1.21 -1.13 0.00 0.00 175.30 175.30 1swb s ASN 85 N -2.91 -0.59 0.00 -2.89 3.84 -1.26 -1.93 114.94 109.20 1swb s ASN 85 Ca 0.12 0.81 0.18 0.00 0.21 0.00 0.00 52.86 54.18 1swb s ASN 85 Cb -0.02 1.68 0.52 0.00 -0.55 0.00 0.00 41.25 42.88 1swb s ASN 85 CO 0.02 -0.26 1.42 0.00 -2.79 0.00 0.00 177.10 175.49 1swb n ALA 86 N 5.40 2.44 -3.97 1.71 0.00 -0.39 -4.97 120.51 120.74 1swb n ALA 86 Ca -0.05 -0.82 -0.30 0.00 0.00 0.00 0.00 53.44 52.27 1swb n ALA 86 Cb 0.50 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.96 1swb n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swb n HIS 87 N 0.93 -1.61 -3.66 0.00 -0.00 -1.26 -4.85 115.22 104.77 1swb n HIS 87 Ca 0.17 0.58 -0.08 0.00 -0.00 0.00 0.00 57.72 58.39 1swb n HIS 87 Cb 0.44 -3.42 -0.02 0.00 -0.00 0.00 0.00 29.99 26.99 1swb n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1swb s SER 88 N -4.08 -0.35 -0.05 0.41 1.04 -1.26 -1.09 113.70 108.32 1swb s SER 88 Ca 0.16 -0.31 -0.05 0.00 0.48 0.00 0.00 55.95 56.23 1swb s SER 88 Cb -0.07 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.66 1swb s SER 88 CO 0.91 -1.05 0.14 0.00 0.98 0.00 0.00 173.24 174.22 1swb s ALA 89 N -3.64 -0.35 -0.04 5.32 0.00 0.06 -1.59 121.76 121.52 1swb s ALA 89 Ca 0.07 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.41 1swb s ALA 89 Cb -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1swb s ALA 89 CO -0.02 -0.09 -0.16 0.99 0.00 0.00 0.00 175.76 176.48 1swb s THR 90 N -0.12 2.89 -0.06 0.00 2.01 -0.36 -0.62 115.64 119.38 1swb s THR 90 Ca -0.02 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.22 1swb s THR 90 Cb -0.02 -2.12 -0.00 0.00 0.01 0.00 0.00 72.50 70.37 1swb s THR 90 CO 0.00 0.58 -0.20 0.42 -0.69 0.00 0.00 174.62 174.73 1swb s THR 91 N -0.72 1.71 -0.14 -0.82 -4.23 -0.61 -1.44 115.64 109.38 1swb s THR 91 Ca 0.11 -0.86 -0.01 0.00 -1.18 0.00 0.00 61.69 59.76 1swb s THR 91 Cb -0.10 -1.47 -0.02 0.00 1.34 0.00 0.00 72.50 72.25 1swb s THR 91 CO 0.00 0.48 -0.10 0.26 -0.54 0.00 0.00 174.62 174.72 1swb s TRP 92 N 0.09 2.87 -0.12 3.99 0.51 -0.12 -1.56 118.94 124.59 1swb s TRP 92 Ca -0.07 -0.58 0.02 0.00 -2.12 0.00 0.00 56.10 53.35 1swb s TRP 92 Cb -0.14 -1.88 0.01 0.00 -0.81 0.00 0.00 33.47 30.65 1swb s TRP 92 CO 0.04 -0.18 -0.17 0.45 -0.51 0.00 0.00 176.95 176.57 1swb s SER 93 N 0.40 2.67 0.00 2.95 0.15 -0.71 -1.59 113.70 117.57 1swb s SER 93 Ca -0.09 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1swb s SER 93 Cb -0.15 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.95 1swb s SER 93 CO 0.05 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1swb n GLY 94 N 4.22 1.78 3.15 9.45 0.00 -0.76 -1.36 105.19 121.67 1swb n GLY 94 Ca -0.19 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 1swb n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swb s GLN 95 N 1.65 0.44 -0.05 1.61 -2.07 -0.71 -2.02 119.66 118.52 1swb s GLN 95 Ca 0.00 -0.03 -0.23 0.00 -1.82 0.00 0.00 55.36 53.29 1swb s GLN 95 Cb 0.00 0.20 -0.04 0.00 -1.09 0.00 0.00 33.01 32.08 1swb s GLN 95 CO 0.00 -0.10 0.68 -0.47 -1.32 0.00 0.00 175.29 174.08 1swb s TYR 96 N -0.71 3.61 -0.16 9.60 5.04 -0.17 -1.80 117.35 132.76 1swb s TYR 96 Ca -0.08 1.25 0.00 0.00 -2.44 0.00 0.00 57.07 55.80 1swb s TYR 96 Cb -0.04 -2.76 0.03 0.00 0.35 0.00 0.00 41.96 39.54 1swb s TYR 96 CO 0.02 0.16 -0.10 0.08 -1.34 0.00 0.00 175.55 174.37 1swb s VAL 97 N 0.52 1.40 0.77 3.14 1.01 -0.14 -1.00 120.40 126.10 1swb s VAL 97 Ca 0.36 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 1swb s VAL 97 Cb -0.18 -1.43 0.17 0.00 0.00 0.00 0.00 36.38 34.95 1swb s VAL 97 CO 0.18 0.29 1.05 0.61 0.00 0.00 0.00 175.10 177.23 1swb n GLY 98 N 4.80 -0.95 0.00 4.51 0.00 -1.26 -1.09 105.19 111.20 1swb n GLY 98 Ca -0.14 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1swb n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swb n GLY 99 N -2.11 0.77 0.19 -0.02 0.00 -1.26 -4.63 105.19 98.14 1swb n GLY 99 Ca 0.14 -2.21 -0.04 0.00 0.00 0.00 0.00 46.02 43.91 1swb n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swb h ALA 100 N 0.00 0.58 -2.16 4.61 0.00 -2.07 -2.83 119.26 117.39 1swb h ALA 100 Ca 0.00 0.05 -0.80 0.00 0.00 0.00 0.00 54.91 54.17 1swb h ALA 100 Cb 0.00 0.01 -0.29 0.00 0.00 0.00 0.00 17.79 17.51 1swb h ALA 100 CO 0.00 -0.20 0.60 -1.91 0.00 0.00 0.00 179.25 177.74 1swb n GLU 101 N -4.98 4.06 -1.99 0.00 0.00 -1.26 -5.01 120.64 111.46 1swb n GLU 101 Ca 0.04 -4.53 -0.37 0.00 0.00 0.00 0.00 57.16 52.30 1swb n GLU 101 Cb 0.17 -2.51 0.03 0.00 0.00 0.00 0.00 31.44 29.13 1swb n GLU 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1swb s ALA 102 N -2.28 2.68 0.16 4.31 0.00 -1.07 -4.89 121.76 120.66 1swb s ALA 102 Ca 0.31 1.09 -0.23 0.00 0.00 0.00 0.00 51.96 53.13 1swb s ALA 102 Cb 0.00 -3.47 0.07 0.00 0.00 0.00 0.00 23.12 19.71 1swb s ALA 102 CO 0.04 -1.15 0.64 -0.98 0.00 0.00 0.00 175.76 174.31 1swb s ARG 103 N -3.11 1.31 -0.23 0.00 1.70 -0.25 -4.35 118.95 114.01 1swb s ARG 103 Ca 0.74 -0.52 0.02 0.00 -0.47 0.00 0.00 55.73 55.50 1swb s ARG 103 Cb -0.33 0.57 0.05 0.00 -0.57 0.00 0.00 34.95 34.67 1swb s ARG 103 CO 0.37 -0.58 -0.14 0.42 -1.08 0.00 0.00 175.30 174.30 1swb s ILE 104 N -3.72 2.10 -0.22 4.99 1.01 -0.72 -0.97 121.20 123.67 1swb s ILE 104 Ca 0.03 -1.36 -0.13 0.00 0.00 0.00 0.00 60.65 59.19 1swb s ILE 104 Cb -0.02 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 1swb s ILE 104 CO -0.10 0.18 0.25 0.20 0.00 0.00 0.00 174.94 175.47 1swb s ASN 105 N 1.18 6.26 0.13 3.58 0.01 -0.75 -1.39 114.94 123.97 1swb s ASN 105 Ca -0.04 0.29 0.05 0.00 -0.71 0.00 0.00 52.86 52.46 1swb s ASN 105 Cb -0.17 -2.16 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 1swb s ASN 105 CO -0.08 0.02 -0.12 0.42 -1.51 0.00 0.00 177.10 175.83 1swb s THR 106 N 1.06 1.25 0.05 1.60 -4.23 0.16 -1.74 115.64 113.79 1swb s THR 106 Ca 0.12 -1.84 0.07 0.00 -1.18 0.00 0.00 61.69 58.86 1swb s THR 106 Cb -0.14 -1.63 -0.03 0.00 1.34 0.00 0.00 72.50 72.04 1swb s THR 106 CO 0.05 -0.55 -0.16 -1.10 -0.54 0.00 0.00 174.62 172.32 1swb s GLN 107 N -3.07 2.10 0.18 3.99 -1.52 -0.47 -2.14 119.66 118.74 1swb s GLN 107 Ca 0.12 -0.97 0.05 0.00 -1.95 0.00 0.00 55.36 52.60 1swb s GLN 107 Cb -0.02 -2.22 -0.05 0.00 -0.22 0.00 0.00 33.01 30.50 1swb s GLN 107 CO 0.02 0.54 -0.08 1.67 -0.25 0.00 0.00 175.29 177.19 1swb s TRP 108 N -0.96 1.42 -0.05 0.91 1.48 0.32 -1.73 118.94 120.33 1swb s TRP 108 Ca 0.15 -0.77 0.03 0.00 -1.06 0.00 0.00 56.10 54.46 1swb s TRP 108 Cb -0.11 -0.74 0.01 0.00 -1.16 0.00 0.00 33.47 31.47 1swb s TRP 108 CO 0.06 0.10 -0.13 -0.51 -4.06 0.00 0.00 176.95 172.41 1swb s LEU 109 N -3.23 1.77 -0.17 -4.66 1.43 -0.60 -1.98 118.68 111.24 1swb s LEU 109 Ca 0.21 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1swb s LEU 109 Cb 0.03 -0.82 -0.01 0.00 0.03 0.00 0.00 46.19 45.42 1swb s LEU 109 CO 0.04 0.08 -0.11 -0.22 0.23 0.00 0.00 176.35 176.36 1swb s LEU 110 N 0.36 2.67 -0.09 1.79 2.96 -0.05 -1.57 118.68 124.74 1swb s LEU 110 Ca -0.09 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.45 1swb s LEU 110 Cb -0.13 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 1swb s LEU 110 CO 0.03 0.08 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.04 1swb s THR 111 N 0.89 2.49 0.07 3.68 2.01 0.21 -1.17 115.64 123.82 1swb s THR 111 Ca -0.03 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.12 1swb s THR 111 Cb -0.15 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 1swb s THR 111 CO -0.00 0.56 0.05 -0.44 -0.69 0.00 0.00 174.62 174.09 1swb s SER 112 N 0.06 5.36 0.10 3.53 0.01 -0.71 -0.76 113.70 121.28 1swb s SER 112 Ca -0.08 -0.05 -0.31 0.00 1.31 0.00 0.00 55.95 56.82 1swb s SER 112 Cb -0.15 -1.40 -0.07 0.00 0.21 0.00 0.00 66.02 64.61 1swb s SER 112 CO 0.05 0.19 1.28 -0.83 0.41 0.00 0.00 173.24 174.35 1swb s GLY 113 N -2.24 2.25 0.14 3.44 0.00 -0.25 -4.86 107.32 105.80 1swb s GLY 113 Ca 0.27 0.98 0.02 0.00 0.00 0.00 0.00 44.72 45.98 1swb s GLY 113 CO 0.19 2.16 -0.02 -0.51 0.00 0.00 0.00 173.10 174.92 1swb s THR 114 N 0.97 0.64 0.91 0.90 -4.23 -1.26 -5.02 115.64 108.55 1swb s THR 114 Ca 0.61 -1.96 -0.15 0.00 -1.18 0.00 0.00 61.69 59.01 1swb s THR 114 Cb -0.33 -1.95 0.16 0.00 1.34 0.00 0.00 72.50 71.72 1swb s THR 114 CO 0.30 -0.62 1.28 0.42 -0.54 0.00 0.00 174.62 175.46 1swb s THR 115 N -3.67 2.00 0.28 3.99 -4.23 -1.26 -4.90 115.64 107.85 1swb s THR 115 Ca 0.19 -0.01 -0.02 0.00 -1.18 0.00 0.00 61.69 60.67 1swb s THR 115 Cb 0.06 -3.00 0.20 0.00 1.34 0.00 0.00 72.50 71.11 1swb s THR 115 CO 0.01 0.00 1.88 -0.33 -0.54 0.00 0.00 174.62 175.64 1swb h GLU 116 N -1.46 0.99 0.00 3.99 5.08 -2.02 -2.51 114.58 118.64 1swb h GLU 116 Ca -0.45 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 1swb h GLU 116 Cb 1.26 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1swb h GLU 116 CO 0.46 0.76 0.00 0.00 -1.00 0.00 0.00 179.01 179.23 1swb h ALA 117 N 1.38 1.00 0.00 3.43 0.00 -2.07 -2.62 119.26 120.39 1swb h ALA 117 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1swb h ALA 117 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1swb h ALA 117 CO -0.03 0.00 -0.04 0.09 0.00 0.00 0.00 179.25 179.27 1swb n ASN 118 N -2.66 1.75 0.31 0.00 3.02 -0.97 -4.76 115.26 111.94 1swb n ASN 118 Ca -0.02 -2.29 0.20 0.00 -0.03 0.00 0.00 54.58 52.45 1swb n ASN 118 Cb 0.09 -0.17 0.95 0.00 -0.61 0.00 0.00 39.78 40.05 1swb n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swb h ALA 119 N 0.00 1.00 0.00 5.41 0.00 -1.23 -2.19 119.26 122.26 1swb h ALA 119 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1swb h ALA 119 Cb 0.81 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1swb h ALA 119 CO 0.00 0.00 -0.26 0.11 0.00 0.00 0.00 179.25 179.10 1swb h TRP 120 N 0.00 0.00 -0.45 0.00 5.08 -1.86 -3.11 115.95 115.61 1swb h TRP 120 Ca 0.00 0.00 -0.19 0.00 1.08 0.00 0.00 58.89 59.78 1swb h TRP 120 Cb 0.25 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.30 1swb h TRP 120 CO 0.00 0.26 0.06 0.36 -1.28 0.00 0.00 178.44 177.84 1swb n LYS 121 N -3.69 2.25 0.15 0.12 2.85 -0.82 -4.69 118.16 114.33 1swb n LYS 121 Ca -0.01 -3.08 0.12 0.00 -1.05 0.00 0.00 58.31 54.28 1swb n LYS 121 Cb 0.37 -1.90 0.09 0.00 -0.65 0.00 0.00 35.03 32.95 1swb n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1swb h SER 122 N 1.28 0.00 -3.16 -5.58 4.64 -1.58 -3.47 113.55 105.68 1swb h SER 122 Ca 0.23 -0.01 -0.57 0.00 -0.47 0.00 0.00 61.79 60.97 1swb h SER 122 Cb 1.83 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.55 1swb h SER 122 CO 0.48 0.01 -0.82 -0.89 -0.87 0.00 0.00 176.83 174.73 1swb s THR 123 N -3.28 1.32 0.04 2.95 2.01 -1.26 -1.74 115.64 115.68 1swb s THR 123 Ca 0.03 -0.48 -0.06 0.00 0.31 0.00 0.00 61.69 61.49 1swb s THR 123 Cb 0.08 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 1swb s THR 123 CO 0.73 0.42 0.30 -0.76 -0.69 0.00 0.00 174.62 174.61 1swb s LEU 124 N 1.54 4.35 0.01 4.42 1.43 -0.31 -4.94 118.68 125.18 1swb s LEU 124 Ca 0.04 0.58 0.07 0.00 -1.03 0.00 0.00 54.13 53.79 1swb s LEU 124 Cb -0.13 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.26 1swb s LEU 124 CO -0.09 0.21 -0.22 0.54 0.23 0.00 0.00 176.35 177.02 1swb s VAL 125 N -1.37 1.79 0.00 -1.59 0.11 -1.26 -0.87 120.40 117.21 1swb s VAL 125 Ca 0.30 -1.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 1swb s VAL 125 Cb -0.13 -1.51 0.00 0.00 -1.53 0.00 0.00 36.38 33.20 1swb s VAL 125 CO 0.18 0.39 0.00 0.61 -3.33 0.00 0.00 175.10 172.95 1swb n GLY 126 N 2.20 2.01 3.17 6.54 0.00 -0.84 -5.00 105.19 113.27 1swb n GLY 126 Ca -0.16 -0.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 1swb n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swb s HIS 127 N -8.22 0.46 -0.11 1.61 -3.43 -1.26 -0.52 115.29 103.82 1swb s HIS 127 Ca 0.00 -0.92 -0.25 0.00 -0.80 0.00 0.00 55.06 53.09 1swb s HIS 127 Cb 0.00 -0.27 0.06 0.00 -1.43 0.00 0.00 32.58 30.94 1swb s HIS 127 CO 0.00 -0.50 0.60 0.34 -2.00 0.00 0.00 174.74 173.19 1swb s ASP 128 N -2.93 -0.59 -0.10 7.38 -1.08 -0.91 -4.94 116.67 113.50 1swb s ASP 128 Ca 0.11 0.81 0.03 0.00 -0.52 0.00 0.00 52.55 52.99 1swb s ASP 128 Cb 0.06 0.77 0.00 0.00 -1.46 0.00 0.00 42.92 42.30 1swb s ASP 128 CO -0.07 -0.45 -0.22 -0.89 0.52 0.00 0.00 175.17 174.07 1swb s THR 129 N -0.67 1.94 0.03 1.71 2.01 -1.26 -0.66 115.64 118.73 1swb s THR 129 Ca -0.07 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.02 1swb s THR 129 Cb -0.02 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 1swb s THR 129 CO 0.06 0.53 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.11 1swb s PHE 130 N 0.48 2.92 0.25 4.92 0.40 -0.48 -4.32 117.98 122.14 1swb s PHE 130 Ca -0.16 -0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.16 1swb s PHE 130 Cb -0.17 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.72 1swb s PHE 130 CO 0.06 0.41 0.07 0.95 0.70 0.00 0.00 175.22 177.42 1swb s THR 131 N -1.08 0.65 -0.59 0.64 -4.23 0.08 -1.76 115.64 109.35 1swb s THR 131 Ca 0.19 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.95 1swb s THR 131 Cb -0.11 -2.55 0.16 0.00 1.34 0.00 0.00 72.50 71.34 1swb s THR 131 CO 0.10 -0.09 1.47 0.11 -0.54 0.00 0.00 174.62 175.67 1swb h LYS 132 N 2.42 0.00 0.00 3.99 1.79 -1.83 0.38 116.57 123.32 1swb h LYS 132 Ca -0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 1swb h LYS 132 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1swb h LYS 132 CO 0.62 0.00 0.00 0.28 -1.08 0.00 0.00 179.45 179.27