#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swa h ILE 17 N 0.00 1.00 -3.20 -0.61 2.04 -1.99 -3.46 117.51 111.29 1swa h ILE 17 Ca 0.00 -2.63 -0.53 0.00 1.00 0.00 0.00 64.86 62.70 1swa h ILE 17 Cb 0.00 2.72 0.05 0.00 -0.74 0.00 0.00 36.82 38.85 1swa h ILE 17 CO 0.00 0.82 0.81 -0.89 0.00 0.00 0.00 178.15 178.89 1swa s THR 18 N -2.59 2.61 -5.00 -0.27 2.01 -1.26 -4.78 115.64 106.35 1swa s THR 18 Ca -0.13 0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.35 1swa s THR 18 Cb 0.06 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.26 1swa s THR 18 CO 0.84 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 175.45 1swa n GLY 19 N 2.70 0.77 3.78 4.40 0.00 0.41 -4.99 105.19 112.26 1swa n GLY 19 Ca 0.09 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 1swa n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swa s THR 20 N -2.84 5.28 0.10 2.61 2.01 -1.26 -0.83 115.64 120.71 1swa s THR 20 Ca 0.00 0.55 0.10 0.00 0.31 0.00 0.00 61.69 62.64 1swa s THR 20 Cb 0.00 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 1swa s THR 20 CO 0.00 0.48 -0.25 0.26 -0.69 0.00 0.00 174.62 174.41 1swa s TRP 21 N -0.18 2.19 -0.00 4.92 0.52 0.29 -4.59 118.94 122.09 1swa s TRP 21 Ca 0.18 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 55.96 1swa s TRP 21 Cb -0.14 -1.23 -0.02 0.00 -1.15 0.00 0.00 33.47 30.94 1swa s TRP 21 CO 0.06 0.25 -0.19 0.71 0.02 0.00 0.00 176.95 177.80 1swa s TYR 22 N -0.99 1.66 0.43 -1.98 2.02 0.21 -0.86 117.35 117.83 1swa s TYR 22 Ca 0.12 -0.32 0.08 0.00 -0.37 0.00 0.00 57.07 56.57 1swa s TYR 22 Cb -0.10 -1.05 0.00 0.00 -0.40 0.00 0.00 41.96 40.41 1swa s TYR 22 CO 0.04 -0.01 0.50 0.54 -1.57 0.00 0.00 175.55 175.06 1swa s ASN 23 N -0.57 5.35 0.50 2.29 2.20 -1.10 -0.88 114.94 122.74 1swa s ASN 23 Ca 0.07 -0.60 0.29 0.00 -0.94 0.00 0.00 52.86 51.68 1swa s ASN 23 Cb -0.07 -0.53 1.11 0.00 -2.00 0.00 0.00 41.25 39.76 1swa s ASN 23 CO -0.00 -0.77 1.89 0.06 -2.94 0.00 0.00 177.10 175.34 1swa h GLN 24 N 0.76 0.00 0.00 3.55 -0.00 -1.91 -2.12 115.11 115.39 1swa h GLN 24 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.25 1swa h GLN 24 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 1swa h GLN 24 CO 0.50 0.08 0.00 1.28 -0.00 0.00 0.00 178.83 180.69 1swa n LEU 25 N -3.19 0.66 0.00 0.06 4.77 -1.26 -4.92 117.00 113.12 1swa n LEU 25 Ca 0.01 0.65 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 1swa n LEU 25 Cb 0.37 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1swa n LEU 25 CO 0.30 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.48 1swa n GLY 26 N 0.19 3.09 2.06 -0.72 0.00 -0.80 -5.05 105.19 103.96 1swa n GLY 26 Ca 0.03 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 1swa n GLY 26 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1swa n SER 27 N 1.16 -1.46 -4.06 1.61 7.64 -1.26 -4.61 113.62 112.64 1swa n SER 27 Ca 0.00 0.56 -0.18 0.00 1.01 0.00 0.00 58.87 60.27 1swa n SER 27 Cb 0.00 -0.56 -0.14 0.00 -1.01 0.00 0.00 64.21 62.50 1swa n SER 27 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1swa s THR 28 N -0.91 0.76 -0.02 0.44 2.01 0.15 -2.71 115.64 115.36 1swa s THR 28 Ca 0.38 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.70 1swa s THR 28 Cb -0.45 -0.69 0.03 0.00 0.01 0.00 0.00 72.50 71.40 1swa s THR 28 CO 0.38 0.03 0.02 0.72 -0.69 0.00 0.00 174.62 175.08 1swa s PHE 29 N -0.60 0.07 -0.21 4.92 -0.12 -0.04 -0.54 117.98 121.44 1swa s PHE 29 Ca 0.00 0.11 -0.03 0.00 -0.05 0.00 0.00 56.93 56.96 1swa s PHE 29 Cb -0.06 -0.25 -0.01 0.00 -0.63 0.00 0.00 43.02 42.07 1swa s PHE 29 CO 0.00 -0.09 -0.05 0.42 -0.05 0.00 0.00 175.22 175.45 1swa s ILE 30 N 1.03 3.30 0.08 -4.49 -1.09 -0.93 0.10 121.20 119.20 1swa s ILE 30 Ca -0.09 -0.52 0.06 0.00 -2.23 0.00 0.00 60.65 57.88 1swa s ILE 30 Cb -0.13 -2.49 -0.03 0.00 -1.58 0.00 0.00 42.46 38.23 1swa s ILE 30 CO -0.03 0.43 -0.16 0.68 -1.23 0.00 0.00 174.94 174.63 1swa s VAL 31 N 1.42 1.32 -0.22 2.92 -7.23 -0.01 -2.00 120.40 116.61 1swa s VAL 31 Ca 0.05 -1.41 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1swa s VAL 31 Cb -0.14 -1.26 0.03 0.00 0.56 0.00 0.00 36.38 35.57 1swa s VAL 31 CO -0.04 -0.19 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.55 1swa s THR 32 N -1.30 2.34 -0.40 5.32 2.01 -0.54 -0.45 115.64 122.62 1swa s THR 32 Ca 0.01 -1.18 -0.23 0.00 0.31 0.00 0.00 61.69 60.61 1swa s THR 32 Cb -0.10 -2.17 0.02 0.00 0.01 0.00 0.00 72.50 70.26 1swa s THR 32 CO 0.03 0.27 0.76 0.00 -0.69 0.00 0.00 174.62 174.99 1swa s ALA 33 N 1.24 3.37 0.57 7.40 0.00 -1.26 -1.60 121.76 131.48 1swa s ALA 33 Ca -0.01 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1swa s ALA 33 Cb -0.16 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.62 1swa s ALA 33 CO -0.08 -1.66 0.80 0.20 0.00 0.00 0.00 175.76 175.02 1swa s GLY 34 N 1.96 1.82 0.43 0.00 0.00 0.73 -4.91 107.32 107.35 1swa s GLY 34 Ca 0.30 -1.33 0.19 0.00 0.00 0.00 0.00 44.72 43.88 1swa s GLY 34 CO 0.19 -1.02 1.91 0.00 0.00 0.00 0.00 173.10 174.17 1swa h ALA 35 N 0.00 1.29 0.00 3.20 0.00 -1.98 -2.35 119.26 119.43 1swa h ALA 35 Ca -0.42 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1swa h ALA 35 Cb 1.30 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1swa h ALA 35 CO 0.52 0.33 -0.06 0.22 0.00 0.00 0.00 179.25 180.26 1swa h ASP 36 N 0.00 0.00 0.00 0.00 3.58 -1.98 -3.46 116.42 114.56 1swa h ASP 36 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1swa h ASP 36 Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1swa h ASP 36 CO 0.03 0.06 0.00 0.61 -2.88 0.00 0.00 179.24 177.07 1swa n GLY 37 N -0.92 1.14 3.79 -0.78 0.00 -0.88 -4.86 105.19 102.68 1swa n GLY 37 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1swa n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swa s ALA 38 N -2.00 3.51 -0.14 4.61 0.00 -1.26 -1.12 121.76 125.37 1swa s ALA 38 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1swa s ALA 38 Cb 0.00 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 1swa s ALA 38 CO 0.00 0.34 -0.15 -0.51 0.00 0.00 0.00 175.76 175.44 1swa s LEU 39 N -1.13 2.53 -0.00 0.00 1.02 -0.34 -0.19 118.68 120.57 1swa s LEU 39 Ca 0.33 -0.43 0.01 0.00 0.02 0.00 0.00 54.13 54.05 1swa s LEU 39 Cb -0.22 -1.57 -0.00 0.00 0.02 0.00 0.00 46.19 44.43 1swa s LEU 39 CO 0.23 0.12 -0.02 0.42 0.02 0.00 0.00 176.35 177.12 1swa s THR 40 N 0.61 0.14 -1.94 5.49 -4.23 -0.63 -1.15 115.64 113.93 1swa s THR 40 Ca -0.09 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 1swa s THR 40 Cb -0.16 -0.13 0.00 0.00 1.34 0.00 0.00 72.50 73.56 1swa s THR 40 CO 0.03 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1swa n GLY 41 N 3.00 -0.58 3.21 3.99 0.00 -0.88 -1.46 105.19 112.47 1swa n GLY 41 Ca -0.13 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 1swa n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swa s THR 42 N -3.28 1.32 -0.21 2.61 -4.23 -0.85 -0.82 115.64 110.18 1swa s THR 42 Ca 0.00 -1.33 -0.00 0.00 -1.18 0.00 0.00 61.69 59.18 1swa s THR 42 Cb 0.00 -1.23 0.02 0.00 1.34 0.00 0.00 72.50 72.63 1swa s THR 42 CO 0.00 -0.12 -0.13 -0.47 -0.54 0.00 0.00 174.62 173.36 1swa s TYR 43 N -1.16 2.92 -0.03 3.99 6.14 0.48 -2.19 117.35 127.49 1swa s TYR 43 Ca 0.01 -1.54 0.02 0.00 0.64 0.00 0.00 57.07 56.21 1swa s TYR 43 Cb -0.10 -1.99 -0.03 0.00 0.42 0.00 0.00 41.96 40.26 1swa s TYR 43 CO 0.03 -0.74 -0.06 -1.83 0.64 0.00 0.00 175.55 173.58 1swa s GLU 44 N 1.32 2.66 -0.13 4.97 4.04 0.29 -0.69 118.70 131.17 1swa s GLU 44 Ca 0.03 -0.64 0.15 0.00 0.04 0.00 0.00 54.97 54.55 1swa s GLU 44 Cb -0.15 -2.55 -0.21 0.00 0.02 0.00 0.00 34.13 31.24 1swa s GLU 44 CO -0.08 0.63 0.12 0.43 -1.84 0.00 0.00 175.26 174.52 1swa n SER 45 N 1.85 1.08 -1.50 0.83 7.64 -0.96 0.29 113.62 122.85 1swa n SER 45 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1swa n SER 45 Cb 0.53 1.09 0.00 0.00 -1.01 0.00 0.00 64.21 64.81 1swa n SER 45 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1swa n ASN 49 N -2.48 -6.33 -0.32 6.43 6.94 -1.26 -4.26 115.26 113.98 1swa n ASN 49 Ca -0.21 0.96 0.20 0.00 -0.02 0.00 0.00 54.58 55.51 1swa n ASN 49 Cb 0.89 -4.13 0.40 0.00 -2.36 0.00 0.00 39.78 34.57 1swa n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1swa h ALA 50 N 1.43 1.60 -0.32 -2.53 0.00 -2.03 0.11 119.26 117.51 1swa h ALA 50 Ca 0.00 0.25 0.09 0.00 0.00 0.00 0.00 54.91 55.25 1swa h ALA 50 Cb 0.06 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1swa h ALA 50 CO 0.00 -0.62 0.32 0.93 0.00 0.00 0.00 179.25 179.88 1swa h GLU 51 N 0.15 0.00 -0.17 0.00 3.07 -2.03 -0.71 114.58 114.89 1swa h GLU 51 Ca 0.67 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.53 1swa h GLU 51 Cb 1.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.42 1swa h GLU 51 CO -0.73 0.00 0.00 0.43 -1.40 0.00 0.00 179.01 177.31 1swa n SER 52 N -3.85 3.19 -4.81 1.42 7.64 0.37 -4.74 113.62 112.83 1swa n SER 52 Ca 0.05 -2.88 -0.36 0.00 1.01 0.00 0.00 58.87 56.68 1swa n SER 52 Cb 0.48 -0.44 -0.07 0.00 -1.01 0.00 0.00 64.21 63.17 1swa n SER 52 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1swa s ARG 53 N -2.55 3.81 0.02 1.43 0.52 -0.28 -2.26 118.95 119.64 1swa s ARG 53 Ca 0.34 -0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 1swa s ARG 53 Cb 0.28 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 32.44 1swa s ARG 53 CO 0.07 0.57 -0.03 0.71 0.02 0.00 0.00 175.30 176.64 1swa s TYR 54 N -0.45 0.27 0.21 -0.53 1.51 0.14 -4.80 117.35 113.70 1swa s TYR 54 Ca 0.14 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.48 1swa s TYR 54 Cb -0.12 -0.18 -0.08 0.00 -0.11 0.00 0.00 41.96 41.46 1swa s TYR 54 CO 0.03 -0.14 1.13 0.08 -1.11 0.00 0.00 175.55 175.55 1swa s VAL 55 N -1.16 3.64 0.08 0.71 1.01 -1.26 0.18 120.40 123.60 1swa s VAL 55 Ca -0.12 1.47 0.09 0.00 0.00 0.00 0.00 61.98 63.42 1swa s VAL 55 Cb -0.08 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1swa s VAL 55 CO -0.01 0.28 -0.24 -1.48 0.00 0.00 0.00 175.10 173.66 1swa s LEU 56 N -0.68 2.25 -0.01 3.92 0.05 0.00 -4.43 118.68 119.78 1swa s LEU 56 Ca 0.49 -0.65 -0.01 0.00 0.05 0.00 0.00 54.13 54.01 1swa s LEU 56 Cb -0.31 -1.09 0.00 0.00 -2.05 0.00 0.00 46.19 42.74 1swa s LEU 56 CO 0.38 0.16 0.03 0.28 -0.55 0.00 0.00 176.35 176.64 1swa s THR 57 N -0.97 0.01 0.04 5.48 -1.32 -0.84 -2.07 115.64 115.97 1swa s THR 57 Ca 0.10 -0.10 -0.02 0.00 -1.21 0.00 0.00 61.69 60.46 1swa s THR 57 Cb -0.10 -0.08 0.01 0.00 -1.51 0.00 0.00 72.50 70.82 1swa s THR 57 CO 0.04 -0.05 0.12 0.61 -2.21 0.00 0.00 174.62 173.12 1swa n GLY 58 N 2.89 1.60 3.03 6.08 0.00 -0.30 -1.51 105.19 116.98 1swa n GLY 58 Ca -0.13 -1.01 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 1swa n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swa s ARG 59 N -2.01 0.44 0.05 1.61 1.81 -0.62 -1.19 118.95 119.04 1swa s ARG 59 Ca 0.02 -0.86 -0.03 0.00 -1.72 0.00 0.00 55.73 53.14 1swa s ARG 59 Cb -0.01 0.14 -0.03 0.00 -0.45 0.00 0.00 34.95 34.61 1swa s ARG 59 CO 0.01 -0.07 0.02 1.52 -0.68 0.00 0.00 175.30 176.10 1swa s TYR 60 N -2.47 0.39 -0.45 -0.53 1.13 -0.27 -1.23 117.35 113.92 1swa s TYR 60 Ca -0.06 -0.85 -0.28 0.00 -1.41 0.00 0.00 57.07 54.46 1swa s TYR 60 Cb -0.03 -0.28 0.00 0.00 -1.10 0.00 0.00 41.96 40.55 1swa s TYR 60 CO -0.05 -0.38 1.52 0.34 -2.51 0.00 0.00 175.55 174.48 1swa s ASP 61 N -2.60 6.11 0.00 -0.18 2.15 0.06 -4.56 116.67 117.65 1swa s ASP 61 Ca 0.02 0.73 0.14 0.00 0.43 0.00 0.00 52.55 53.88 1swa s ASP 61 Cb 0.04 -2.54 0.81 0.00 -0.30 0.00 0.00 42.92 40.93 1swa s ASP 61 CO -0.08 -1.63 1.53 -1.54 -0.17 0.00 0.00 175.17 173.27 1swa n SER 62 N 9.61 0.22 -3.20 -0.34 3.41 -1.26 -4.09 113.62 117.96 1swa n SER 62 Ca 0.17 -1.59 -0.24 0.00 -0.26 0.00 0.00 58.87 56.95 1swa n SER 62 Cb 0.48 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.35 1swa n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swa n ALA 63 N -0.58 2.52 -1.40 7.33 0.00 -1.26 -5.05 120.51 122.07 1swa n ALA 63 Ca 0.11 -3.48 -0.31 0.00 0.00 0.00 0.00 53.44 49.76 1swa n ALA 63 Cb 0.08 -0.82 0.09 0.00 0.00 0.00 0.00 19.45 18.80 1swa n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swa s PRO 64 N -1.31 2.28 1.23 0.00 0.04 -1.26 -5.02 135.00 130.96 1swa s PRO 64 Ca 0.36 0.94 -0.15 0.00 0.04 0.00 0.00 61.00 62.19 1swa s PRO 64 Cb 0.18 -1.92 0.30 0.00 0.04 0.00 0.00 34.50 33.10 1swa s PRO 64 CO -0.10 -1.56 1.01 0.00 0.04 0.00 0.00 177.00 176.38 1swa s ALA 65 N -3.00 -0.50 -0.88 8.56 0.00 -1.26 -4.97 121.76 119.71 1swa s ALA 65 Ca 0.60 -0.37 0.13 0.00 0.00 0.00 0.00 51.96 52.32 1swa s ALA 65 Cb -0.16 -3.14 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 1swa s ALA 65 CO 0.56 -4.01 0.63 0.25 0.00 0.00 0.00 175.76 173.19 1swa n THR 66 N -5.07 0.00 0.13 0.00 -2.24 -1.26 -4.57 114.28 101.27 1swa n THR 66 Ca 0.05 -0.28 0.07 0.00 -2.27 0.00 0.00 64.05 61.62 1swa n THR 66 Cb 0.56 1.07 0.35 0.00 -2.10 0.00 0.00 70.33 70.22 1swa n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swa n ASP 67 N -0.76 0.34 0.00 3.42 5.68 -1.26 -4.67 116.55 119.29 1swa n ASP 67 Ca 0.04 0.58 0.00 0.00 -0.50 0.00 0.00 54.79 54.91 1swa n ASP 67 Cb 0.23 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 1swa n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swa n GLY 68 N -1.30 1.02 3.77 6.12 0.00 -1.26 -5.09 105.19 108.45 1swa n GLY 68 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1swa n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swa s SER 69 N -1.99 6.89 1.22 1.61 0.01 -1.26 -5.01 113.70 115.16 1swa s SER 69 Ca 0.00 2.57 -0.20 0.00 1.31 0.00 0.00 55.95 59.63 1swa s SER 69 Cb 0.00 -2.64 0.30 0.00 0.21 0.00 0.00 66.02 63.88 1swa s SER 69 CO 0.00 -0.44 1.12 -0.83 0.41 0.00 0.00 173.24 173.50 1swa s GLY 70 N -0.60 1.59 -0.32 3.44 0.00 -1.26 -4.81 107.32 105.36 1swa s GLY 70 Ca 0.48 -1.04 -0.10 0.00 0.00 0.00 0.00 44.72 44.06 1swa s GLY 70 CO 0.50 -0.12 0.16 -1.59 0.00 0.00 0.00 173.10 172.05 1swa s THR 71 N -3.04 4.57 0.24 0.90 2.01 0.11 -4.84 115.64 115.60 1swa s THR 71 Ca 0.72 -0.52 -0.30 0.00 0.31 0.00 0.00 61.69 61.90 1swa s THR 71 Cb -0.08 -3.38 -0.09 0.00 0.01 0.00 0.00 72.50 68.96 1swa s THR 71 CO 0.56 0.00 1.26 0.00 -0.69 0.00 0.00 174.62 175.75 1swa s ALA 72 N 1.60 3.49 0.31 7.40 0.00 -1.26 0.47 121.76 133.76 1swa s ALA 72 Ca 0.04 1.09 -0.11 0.00 0.00 0.00 0.00 51.96 52.98 1swa s ALA 72 Cb -0.17 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.51 1swa s ALA 72 CO 0.06 -0.48 0.58 -0.48 0.00 0.00 0.00 175.76 175.44 1swa s LEU 73 N -0.75 0.38 0.07 0.00 0.05 -0.88 -0.77 118.68 116.79 1swa s LEU 73 Ca 0.52 -1.11 -0.26 0.00 0.05 0.00 0.00 54.13 53.33 1swa s LEU 73 Cb -0.36 2.06 0.09 0.00 -2.05 0.00 0.00 46.19 45.92 1swa s LEU 73 CO 0.42 -1.35 0.79 -0.83 -0.55 0.00 0.00 176.35 174.83 1swa s GLY 74 N -3.08 -0.48 0.20 -3.48 0.00 -0.36 -1.29 107.32 98.82 1swa s GLY 74 Ca 0.22 0.72 -0.20 0.00 0.00 0.00 0.00 44.72 45.45 1swa s GLY 74 CO 0.13 0.23 0.60 0.66 0.00 0.00 0.00 173.10 174.72 1swa s TRP 75 N -3.38 -0.31 0.02 1.90 -2.14 -0.32 -1.58 118.94 113.13 1swa s TRP 75 Ca 0.04 -0.01 0.05 0.00 2.66 0.00 0.00 56.10 58.84 1swa s TRP 75 Cb -0.01 0.53 -0.02 0.00 -3.10 0.00 0.00 33.47 30.87 1swa s TRP 75 CO -0.09 -0.96 -0.15 0.99 -2.66 0.00 0.00 176.95 174.08 1swa s THR 76 N -3.83 1.16 -0.10 0.66 2.01 -0.57 -1.17 115.64 113.80 1swa s THR 76 Ca 0.06 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.21 1swa s THR 76 Cb -0.02 -1.01 0.02 0.00 0.01 0.00 0.00 72.50 71.49 1swa s THR 76 CO -0.05 0.15 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.24 1swa s VAL 77 N -0.63 1.17 -0.06 3.82 1.01 -0.83 -1.98 120.40 122.89 1swa s VAL 77 Ca 0.04 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 1swa s VAL 77 Cb -0.07 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 1swa s VAL 77 CO 0.01 0.38 0.46 0.00 0.00 0.00 0.00 175.10 175.95 1swa s ALA 78 N 1.30 3.57 -1.35 5.51 0.00 -1.26 -0.92 121.76 128.61 1swa s ALA 78 Ca -0.02 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.70 1swa s ALA 78 Cb -0.14 -2.55 0.10 0.00 0.00 0.00 0.00 23.12 20.54 1swa s ALA 78 CO -0.04 0.21 2.40 0.91 0.00 0.00 0.00 175.76 179.24 1swa n TRP 79 N 2.82 2.62 -4.45 0.00 7.02 0.11 -4.79 117.44 120.75 1swa n TRP 79 Ca -0.10 -2.85 -0.23 0.00 -1.02 0.00 0.00 57.50 53.31 1swa n TRP 79 Cb 0.52 -1.92 -0.16 0.00 -2.42 0.00 0.00 31.31 27.33 1swa n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swa s LYS 80 N -0.65 1.35 0.00 -0.99 2.20 -1.26 -0.63 119.74 119.77 1swa s LYS 80 Ca 0.54 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 1swa s LYS 80 Cb 0.18 -1.18 0.00 0.00 -1.51 0.00 0.00 37.83 35.32 1swa s LYS 80 CO -0.08 0.02 0.00 0.27 -0.36 0.00 0.00 175.35 175.20 1swa n ASN 81 N 3.77 0.53 0.11 1.43 0.23 -0.21 -4.79 115.26 116.32 1swa n ASN 81 Ca -0.23 -0.64 0.10 0.00 -0.53 0.00 0.00 54.58 53.29 1swa n ASN 81 Cb 0.52 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.67 1swa n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swa n ASN 82 N -1.57 0.51 -0.03 0.53 3.02 -1.26 -3.83 115.26 112.62 1swa n ASN 82 Ca 0.00 0.65 -0.03 0.00 -0.03 0.00 0.00 54.58 55.17 1swa n ASN 82 Cb 0.00 -0.75 -0.05 0.00 -0.61 0.00 0.00 39.78 38.37 1swa n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1swa n TYR 83 N -2.09 0.00 -4.15 3.10 4.02 -1.26 -5.05 117.16 111.73 1swa n TYR 83 Ca 0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.80 1swa n TYR 83 Cb 0.17 -0.32 -0.10 0.00 -0.02 0.00 0.00 39.34 39.07 1swa n TYR 83 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1swa s ARG 84 N -2.16 0.99 -0.24 -0.72 1.70 -1.25 -5.15 118.95 112.13 1swa s ARG 84 Ca -0.04 -1.47 -0.03 0.00 -0.47 0.00 0.00 55.73 53.72 1swa s ARG 84 Cb 0.02 0.25 0.12 0.00 -0.57 0.00 0.00 34.95 34.77 1swa s ARG 84 CO 0.26 -0.29 0.31 1.21 -1.08 0.00 0.00 175.30 175.71 1swa s ASN 85 N -3.07 0.82 0.00 -2.89 3.84 -1.26 -1.05 114.94 111.33 1swa s ASN 85 Ca 0.27 -0.07 0.30 0.00 0.21 0.00 0.00 52.86 53.56 1swa s ASN 85 Cb 0.07 0.78 1.39 0.00 -0.55 0.00 0.00 41.25 42.94 1swa s ASN 85 CO 0.04 -0.32 1.94 0.00 -2.79 0.00 0.00 177.10 175.96 1swa n ALA 86 N 5.34 2.67 -3.72 1.71 0.00 0.20 -4.92 120.51 121.80 1swa n ALA 86 Ca -0.04 -0.31 -0.26 0.00 0.00 0.00 0.00 53.44 52.82 1swa n ALA 86 Cb 0.49 -1.33 0.06 0.00 0.00 0.00 0.00 19.45 18.67 1swa n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swa n HIS 87 N -0.54 -2.65 -3.89 0.00 8.25 -1.26 -4.86 115.22 110.27 1swa n HIS 87 Ca 0.19 0.97 -0.09 0.00 -0.26 0.00 0.00 57.72 58.54 1swa n HIS 87 Cb 0.25 -4.64 -0.07 0.00 1.12 0.00 0.00 29.99 26.65 1swa n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swa s SER 88 N -3.34 0.06 -0.07 0.41 1.04 -1.26 -1.20 113.70 109.34 1swa s SER 88 Ca 0.60 -0.74 -0.06 0.00 0.48 0.00 0.00 55.95 56.23 1swa s SER 88 Cb -0.28 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.25 1swa s SER 88 CO 0.77 -0.81 0.18 0.00 0.98 0.00 0.00 173.24 174.35 1swa s ALA 89 N -3.91 -0.44 -0.04 5.32 0.00 -0.78 0.05 121.76 121.96 1swa s ALA 89 Ca 0.11 0.51 0.06 0.00 0.00 0.00 0.00 51.96 52.63 1swa s ALA 89 Cb 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 1swa s ALA 89 CO -0.06 -0.09 -0.20 0.99 0.00 0.00 0.00 175.76 176.41 1swa s THR 90 N 0.11 2.59 -0.09 0.00 2.01 -0.09 -1.53 115.64 118.63 1swa s THR 90 Ca -0.00 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.13 1swa s THR 90 Cb -0.01 -1.97 -0.01 0.00 0.01 0.00 0.00 72.50 70.52 1swa s THR 90 CO 0.00 0.59 -0.21 0.42 -0.69 0.00 0.00 174.62 174.73 1swa s THR 91 N -0.66 2.38 -0.22 -0.82 -4.23 0.97 -1.97 115.64 111.08 1swa s THR 91 Ca 0.10 -0.92 -0.07 0.00 -1.18 0.00 0.00 61.69 59.62 1swa s THR 91 Cb -0.10 -1.93 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 1swa s THR 91 CO -0.00 0.56 0.06 0.26 -0.54 0.00 0.00 174.62 174.95 1swa s TRP 92 N 0.14 3.11 -0.17 3.99 0.51 -0.32 -0.32 118.94 125.89 1swa s TRP 92 Ca -0.11 -0.30 -0.00 0.00 -2.12 0.00 0.00 56.10 53.56 1swa s TRP 92 Cb -0.16 -2.17 -0.00 0.00 -0.81 0.00 0.00 33.47 30.33 1swa s TRP 92 CO 0.06 -0.21 -0.14 0.45 -0.51 0.00 0.00 176.95 176.60 1swa s SER 93 N 1.21 3.73 0.00 2.95 0.15 0.00 -1.17 113.70 120.57 1swa s SER 93 Ca 0.04 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1swa s SER 93 Cb -0.14 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 1swa s SER 93 CO 0.03 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1swa n GLY 94 N 4.24 1.91 3.03 9.45 0.00 -0.41 -0.98 105.19 122.42 1swa n GLY 94 Ca -0.19 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 1swa n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swa s GLN 95 N 1.02 0.36 -0.17 1.61 -2.07 -0.05 -2.06 119.66 118.30 1swa s GLN 95 Ca 0.00 -0.43 -0.18 0.00 -1.82 0.00 0.00 55.36 52.93 1swa s GLN 95 Cb 0.00 0.14 -0.04 0.00 -1.09 0.00 0.00 33.01 32.02 1swa s GLN 95 CO 0.00 -0.07 0.48 -0.47 -1.32 0.00 0.00 175.29 173.91 1swa s TYR 96 N -1.23 3.43 -0.29 9.60 5.04 0.18 -1.17 117.35 132.90 1swa s TYR 96 Ca -0.13 0.79 0.03 0.00 -2.44 0.00 0.00 57.07 55.32 1swa s TYR 96 Cb -0.08 -2.60 0.08 0.00 0.35 0.00 0.00 41.96 39.71 1swa s TYR 96 CO 0.00 0.02 -0.04 0.08 -1.34 0.00 0.00 175.55 174.27 1swa s VAL 97 N 1.17 2.12 0.02 3.14 1.01 -0.19 0.09 120.40 127.76 1swa s VAL 97 Ca 0.24 -1.85 -0.00 0.00 0.00 0.00 0.00 61.98 60.37 1swa s VAL 97 Cb -0.15 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1swa s VAL 97 CO 0.09 -0.26 0.03 0.61 0.00 0.00 0.00 175.10 175.57 1swa n GLY 98 N 4.40 -1.37 0.00 4.51 0.00 -1.26 -0.40 105.19 111.06 1swa n GLY 98 Ca -0.07 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1swa n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swa n GLY 99 N 4.39 -0.59 0.17 -0.02 0.00 -1.26 -4.25 105.19 103.64 1swa n GLY 99 Ca 0.00 -2.00 -0.07 0.00 0.00 0.00 0.00 46.02 43.96 1swa n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swa h ALA 100 N 0.00 -0.97 -0.17 4.61 0.00 -2.06 -3.02 119.26 117.66 1swa h ALA 100 Ca 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.52 1swa h ALA 100 Cb 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.85 1swa h ALA 100 CO 0.00 -0.93 -0.13 -1.91 0.00 0.00 0.00 179.25 176.27 1swa n GLU 101 N -3.33 2.13 -1.64 0.00 4.07 -1.26 -4.94 120.64 115.68 1swa n GLU 101 Ca -0.05 -1.43 -0.46 0.00 -0.06 0.00 0.00 57.16 55.16 1swa n GLU 101 Cb 0.17 -2.05 -0.03 0.00 -0.06 0.00 0.00 31.44 29.48 1swa n GLU 101 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1swa n ALA 102 N 1.98 0.40 -2.85 4.31 0.00 -1.14 -4.92 120.51 118.29 1swa n ALA 102 Ca 0.45 0.42 -0.10 0.00 0.00 0.00 0.00 53.44 54.20 1swa n ALA 102 Cb 0.80 -2.17 -0.08 0.00 0.00 0.00 0.00 19.45 18.01 1swa n ALA 102 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1swa s ARG 103 N -0.71 0.75 -0.20 0.00 1.70 0.46 -4.17 118.95 116.79 1swa s ARG 103 Ca 0.67 -0.66 -0.02 0.00 -0.47 0.00 0.00 55.73 55.25 1swa s ARG 103 Cb -0.71 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 33.99 1swa s ARG 103 CO 0.53 -0.23 -0.10 0.42 -1.08 0.00 0.00 175.30 174.84 1swa s ILE 104 N -2.81 2.93 -0.21 4.99 1.01 0.70 -1.02 121.20 126.79 1swa s ILE 104 Ca -0.03 -0.65 -0.09 0.00 0.00 0.00 0.00 60.65 59.88 1swa s ILE 104 Cb 0.00 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 1swa s ILE 104 CO -0.05 0.47 0.12 0.20 0.00 0.00 0.00 174.94 175.67 1swa s ASN 105 N 1.37 5.97 0.08 3.58 0.01 -0.32 -0.62 114.94 125.01 1swa s ASN 105 Ca 0.05 0.13 0.01 0.00 -0.71 0.00 0.00 52.86 52.34 1swa s ASN 105 Cb -0.14 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.43 1swa s ASN 105 CO -0.06 0.13 -0.06 0.42 -1.51 0.00 0.00 177.10 176.02 1swa s THR 106 N 0.63 0.61 -0.08 1.60 -4.23 0.43 -0.87 115.64 113.73 1swa s THR 106 Ca 0.06 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 58.78 1swa s THR 106 Cb -0.12 -1.48 -0.03 0.00 1.34 0.00 0.00 72.50 72.20 1swa s THR 106 CO 0.01 -0.81 -0.01 -1.10 -0.54 0.00 0.00 174.62 172.17 1swa s GLN 107 N -3.47 2.93 0.17 3.99 -1.52 -0.15 -1.56 119.66 120.03 1swa s GLN 107 Ca 0.08 -0.44 0.07 0.00 -1.95 0.00 0.00 55.36 53.11 1swa s GLN 107 Cb 0.03 -2.75 -0.04 0.00 -0.22 0.00 0.00 33.01 30.03 1swa s GLN 107 CO -0.05 0.69 -0.15 1.67 -0.25 0.00 0.00 175.29 177.21 1swa s TRP 108 N -0.87 1.61 -0.08 0.91 1.48 0.15 -0.82 118.94 121.33 1swa s TRP 108 Ca 0.13 -0.56 0.04 0.00 -1.06 0.00 0.00 56.10 54.65 1swa s TRP 108 Cb -0.11 -0.79 0.00 0.00 -1.16 0.00 0.00 33.47 31.41 1swa s TRP 108 CO 0.02 0.27 -0.20 -0.51 -4.06 0.00 0.00 176.95 172.47 1swa s LEU 109 N -2.89 1.94 -0.16 -4.66 1.43 0.57 -2.08 118.68 112.83 1swa s LEU 109 Ca 0.16 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1swa s LEU 109 Cb -0.03 -1.18 0.02 0.00 0.03 0.00 0.00 46.19 45.04 1swa s LEU 109 CO 0.05 0.14 -0.18 -0.22 0.23 0.00 0.00 176.35 176.37 1swa s LEU 110 N 0.30 1.94 -0.10 1.79 2.96 -0.17 -0.02 118.68 125.37 1swa s LEU 110 Ca -0.13 -0.58 -0.00 0.00 -0.22 0.00 0.00 54.13 53.20 1swa s LEU 110 Cb -0.16 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 1swa s LEU 110 CO 0.06 -0.02 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.10 1swa s THR 111 N 1.35 3.63 -0.11 3.68 2.01 -0.59 -0.16 115.64 125.47 1swa s THR 111 Ca 0.04 -0.48 -0.04 0.00 0.31 0.00 0.00 61.69 61.53 1swa s THR 111 Cb -0.13 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1swa s THR 111 CO -0.12 0.56 0.03 -0.44 -0.69 0.00 0.00 174.62 173.97 1swa s SER 112 N -0.31 5.49 0.06 3.53 0.01 0.38 -1.87 113.70 120.98 1swa s SER 112 Ca 0.04 0.19 -0.31 0.00 1.31 0.00 0.00 55.95 57.19 1swa s SER 112 Cb -0.13 -1.66 -0.08 0.00 0.21 0.00 0.00 66.02 64.36 1swa s SER 112 CO 0.02 0.35 1.71 -0.83 0.41 0.00 0.00 173.24 174.91 1swa s GLY 113 N -0.72 1.51 0.26 3.44 0.00 -0.34 -4.82 107.32 106.65 1swa s GLY 113 Ca 0.12 1.22 0.02 0.00 0.00 0.00 0.00 44.72 46.07 1swa s GLY 113 CO 0.02 3.00 0.07 -0.51 0.00 0.00 0.00 173.10 175.68 1swa s THR 114 N 3.02 0.75 0.79 0.90 -4.23 -1.26 -4.99 115.64 110.62 1swa s THR 114 Ca 0.76 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.15 1swa s THR 114 Cb -0.40 -2.57 0.07 0.00 1.34 0.00 0.00 72.50 70.93 1swa s THR 114 CO 0.33 -0.09 1.16 0.42 -0.54 0.00 0.00 174.62 175.90 1swa s THR 115 N -3.61 2.24 0.19 3.99 -4.23 -1.26 -4.87 115.64 108.09 1swa s THR 115 Ca 0.35 0.06 -0.11 0.00 -1.18 0.00 0.00 61.69 60.81 1swa s THR 115 Cb 0.08 -3.07 0.11 0.00 1.34 0.00 0.00 72.50 70.95 1swa s THR 115 CO 0.12 -0.10 1.82 -0.33 -0.54 0.00 0.00 174.62 175.59 1swa h GLU 116 N -0.98 0.66 -0.76 3.99 3.07 -2.02 -1.71 114.58 116.82 1swa h GLU 116 Ca -0.46 -0.04 0.20 0.00 -0.50 0.00 0.00 59.36 58.57 1swa h GLU 116 Cb 1.32 -0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 29.04 1swa h GLU 116 CO 0.65 0.43 0.54 0.00 -1.40 0.00 0.00 179.01 179.24 1swa h ALA 117 N 1.29 2.55 -0.34 3.43 0.00 -2.07 -2.25 119.26 121.87 1swa h ALA 117 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1swa h ALA 117 Cb 0.09 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1swa h ALA 117 CO -0.13 -0.77 0.00 0.09 0.00 0.00 0.00 179.25 178.44 1swa n ASN 118 N -4.37 2.94 0.26 0.00 3.02 -0.67 -4.65 115.26 111.80 1swa n ASN 118 Ca 0.15 -1.89 0.14 0.00 -0.03 0.00 0.00 54.58 52.95 1swa n ASN 118 Cb 0.76 -0.22 0.68 0.00 -0.61 0.00 0.00 39.78 40.39 1swa n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swa h ALA 119 N 2.72 1.12 0.00 5.41 0.00 -1.08 -2.76 119.26 124.66 1swa h ALA 119 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1swa h ALA 119 Cb 0.75 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1swa h ALA 119 CO 0.00 0.15 -0.02 0.11 0.00 0.00 0.00 179.25 179.49 1swa h TRP 120 N 0.00 0.00 -0.31 0.00 5.08 -1.82 -1.81 115.95 117.09 1swa h TRP 120 Ca -0.00 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 59.79 1swa h TRP 120 Cb 0.47 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.51 1swa h TRP 120 CO 0.00 0.02 -0.25 0.36 -1.28 0.00 0.00 178.44 177.29 1swa n LYS 121 N -3.21 1.96 0.07 0.12 2.85 -1.04 -4.75 118.16 114.16 1swa n LYS 121 Ca -0.02 -3.33 0.09 0.00 -1.05 0.00 0.00 58.31 54.00 1swa n LYS 121 Cb 0.16 -1.82 -0.04 0.00 -0.65 0.00 0.00 35.03 32.68 1swa n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1swa n SER 122 N -1.08 0.74 -4.17 -5.58 3.41 -0.68 -4.92 113.62 101.34 1swa n SER 122 Ca 0.31 0.29 -0.33 0.00 -0.26 0.00 0.00 58.87 58.89 1swa n SER 122 Cb 0.92 0.58 -0.16 0.00 -0.26 0.00 0.00 64.21 65.29 1swa n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1swa s THR 123 N -3.28 2.21 0.19 6.66 2.01 -1.26 -0.47 115.64 121.70 1swa s THR 123 Ca -0.02 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 61.06 1swa s THR 123 Cb 0.10 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 1swa s THR 123 CO 0.81 0.53 0.39 -0.76 -0.69 0.00 0.00 174.62 174.90 1swa s LEU 124 N 1.07 4.23 0.05 4.42 1.43 0.78 -4.92 118.68 125.73 1swa s LEU 124 Ca -0.01 0.43 0.04 0.00 -1.03 0.00 0.00 54.13 53.56 1swa s LEU 124 Cb -0.14 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 1swa s LEU 124 CO -0.07 -0.03 -0.11 0.54 0.23 0.00 0.00 176.35 176.91 1swa s VAL 125 N -1.84 0.82 0.00 -1.59 0.11 -1.26 -1.00 120.40 115.64 1swa s VAL 125 Ca 0.39 -1.11 0.00 0.00 -2.93 0.00 0.00 61.98 58.32 1swa s VAL 125 Cb -0.11 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1swa s VAL 125 CO 0.28 -0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.42 1swa n GLY 126 N 1.52 1.20 3.18 6.54 0.00 -0.88 -4.99 105.19 111.74 1swa n GLY 126 Ca -0.21 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 1swa n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swa s HIS 127 N -5.12 0.93 -0.03 1.61 -3.43 -1.26 0.34 115.29 108.33 1swa s HIS 127 Ca 0.00 -0.88 -0.17 0.00 -0.80 0.00 0.00 55.06 53.21 1swa s HIS 127 Cb 0.00 -0.53 0.03 0.00 -1.43 0.00 0.00 32.58 30.65 1swa s HIS 127 CO 0.00 -0.12 0.38 0.34 -2.00 0.00 0.00 174.74 173.34 1swa s ASP 128 N -3.00 -0.29 -0.10 7.38 -1.08 -0.60 -4.92 116.67 114.06 1swa s ASP 128 Ca 0.12 0.26 0.03 0.00 -0.52 0.00 0.00 52.55 52.43 1swa s ASP 128 Cb 0.04 0.40 0.01 0.00 -1.46 0.00 0.00 42.92 41.91 1swa s ASP 128 CO -0.04 -0.44 -0.19 -0.89 0.52 0.00 0.00 175.17 174.13 1swa s THR 129 N -1.15 1.69 -0.09 1.71 2.01 -1.26 -0.43 115.64 118.13 1swa s THR 129 Ca -0.12 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.13 1swa s THR 129 Cb -0.04 -1.50 -0.01 0.00 0.01 0.00 0.00 72.50 70.95 1swa s THR 129 CO 0.05 0.48 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.91 1swa s PHE 130 N 0.67 2.64 0.35 4.92 0.08 0.21 -4.34 117.98 122.51 1swa s PHE 130 Ca -0.13 -0.60 0.05 0.00 0.12 0.00 0.00 56.93 56.37 1swa s PHE 130 Cb -0.16 -1.70 -0.07 0.00 -0.57 0.00 0.00 43.02 40.51 1swa s PHE 130 CO 0.03 -0.14 0.04 0.95 -0.10 0.00 0.00 175.22 176.00 1swa s THR 131 N -0.06 1.46 -0.91 0.64 -4.23 -0.06 -0.21 115.64 112.27 1swa s THR 131 Ca -0.04 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.73 1swa s THR 131 Cb -0.14 -2.85 0.12 0.00 1.34 0.00 0.00 72.50 70.97 1swa s THR 131 CO 0.04 -0.01 1.61 0.29 -0.54 0.00 0.00 174.62 176.01 1swa n LYS 132 N -0.77 0.08 0.00 3.99 5.02 -1.26 0.63 118.16 125.85 1swa n LYS 132 Ca -0.03 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1swa n LYS 132 Cb 0.67 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 1swa n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16