#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 1.49 -1.77 -0.61 2.04 -1.97 -3.45 117.51 113.23 1swa h ILE 17 Ca 0.00 -2.47 -0.67 0.00 1.00 0.00 0.00 64.86 62.72 1swa h ILE 17 Cb 0.00 3.15 0.05 0.00 -0.74 0.00 0.00 36.82 39.28 1swa h ILE 17 CO 0.00 0.68 0.57 0.41 0.00 0.00 0.00 178.15 179.81 1swa n THR 18 N -4.20 0.04 -0.63 -0.27 -1.04 -1.26 -4.76 114.28 102.17 1swa n THR 18 Ca -0.15 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1swa n THR 18 Cb 0.76 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 68.28 1swa n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swa n GLY 19 N 2.87 0.72 3.47 3.41 0.00 -0.68 -5.01 105.19 109.97 1swa n GLY 19 Ca 0.19 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.83 3.76 0.19 2.61 2.01 -1.26 -1.98 115.64 118.13 1swa s THR 20 Ca 0.00 -0.40 0.09 0.00 0.31 0.00 0.00 61.69 61.69 1swa s THR 20 Cb 0.00 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 1swa s THR 20 CO 0.00 0.49 -0.18 0.26 -0.69 0.00 0.00 174.62 174.50 1swa s TRP 21 N 0.44 1.87 0.05 4.92 0.52 0.02 -4.45 118.94 122.31 1swa s TRP 21 Ca -0.04 -0.47 0.01 0.00 0.02 0.00 0.00 56.10 55.61 1swa s TRP 21 Cb -0.14 -0.90 -0.03 0.00 -1.15 0.00 0.00 33.47 31.24 1swa s TRP 21 CO 0.03 0.38 -0.06 0.71 0.02 0.00 0.00 176.95 178.04 1swa s TYR 22 N -2.27 0.62 0.46 -1.98 2.02 0.65 -0.58 117.35 116.28 1swa s TYR 22 Ca 0.19 -0.73 0.06 0.00 -0.37 0.00 0.00 57.07 56.22 1swa s TYR 22 Cb -0.05 -0.39 -0.02 0.00 -0.40 0.00 0.00 41.96 41.11 1swa s TYR 22 CO 0.08 -0.18 0.24 0.54 -1.57 0.00 0.00 175.55 174.65 1swa s ASN 23 N -2.20 4.49 0.29 2.29 4.22 -1.06 -0.83 114.94 122.14 1swa s ASN 23 Ca -0.02 -1.17 -0.01 0.00 -2.14 0.00 0.00 52.86 49.52 1swa s ASN 23 Cb -0.02 -0.11 0.47 0.00 1.28 0.00 0.00 41.25 42.87 1swa s ASN 23 CO -0.03 -0.75 1.90 0.06 -2.04 0.00 0.00 177.10 176.24 1swa h GLN 24 N 1.20 1.07 -0.36 3.55 -0.00 -1.92 -2.00 115.11 116.65 1swa h GLN 24 Ca -0.41 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 1swa h GLN 24 Cb 1.28 -0.24 0.00 0.00 -0.00 0.00 0.00 27.48 28.51 1swa h GLN 24 CO 0.66 0.71 0.00 1.28 -0.00 0.00 0.00 178.83 181.48 1swa n LEU 25 N -4.48 0.84 0.00 0.06 4.77 -1.26 -4.82 117.00 112.11 1swa n LEU 25 Ca 0.14 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 1swa n LEU 25 Cb 0.18 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1swa n LEU 25 CO 0.33 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1swa n GLY 26 N 0.48 0.39 3.87 -0.72 0.00 -0.75 -5.04 105.19 103.41 1swa n GLY 26 Ca 0.03 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 1swa n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swa s SER 27 N -2.90 6.63 -0.07 1.61 0.01 -1.26 -4.82 113.70 112.91 1swa s SER 27 Ca 0.00 1.10 0.04 0.00 1.31 0.00 0.00 55.95 58.40 1swa s SER 27 Cb 0.00 -2.30 -0.00 0.00 0.21 0.00 0.00 66.02 63.93 1swa s SER 27 CO 0.00 -0.23 -0.21 -0.89 0.41 0.00 0.00 173.24 172.32 1swa s THR 28 N -2.07 1.76 -0.03 1.44 2.01 -0.67 -2.55 115.64 115.52 1swa s THR 28 Ca 0.51 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.66 1swa s THR 28 Cb -0.10 -1.52 0.01 0.00 0.01 0.00 0.00 72.50 70.89 1swa s THR 28 CO 0.24 0.49 -0.10 0.72 -0.69 0.00 0.00 174.62 175.28 1swa s PHE 29 N 0.23 1.09 -0.21 4.92 -0.12 0.26 -1.10 117.98 123.05 1swa s PHE 29 Ca -0.12 -0.30 -0.04 0.00 -0.05 0.00 0.00 56.93 56.42 1swa s PHE 29 Cb -0.15 -0.78 -0.02 0.00 -0.63 0.00 0.00 43.02 41.44 1swa s PHE 29 CO 0.05 -0.14 -0.02 0.42 -0.05 0.00 0.00 175.22 175.49 1swa s ILE 30 N 0.30 3.70 0.16 -4.49 1.09 0.17 -0.80 121.20 121.33 1swa s ILE 30 Ca -0.05 -0.39 0.09 0.00 -1.10 0.00 0.00 60.65 59.20 1swa s ILE 30 Cb -0.10 -2.67 -0.04 0.00 -1.06 0.00 0.00 42.46 38.58 1swa s ILE 30 CO 0.01 0.43 -0.21 0.68 -0.10 0.00 0.00 174.94 175.75 1swa s VAL 31 N 1.17 1.97 -0.10 2.92 -7.23 -0.84 -0.63 120.40 117.67 1swa s VAL 31 Ca 0.03 -1.89 0.01 0.00 -1.81 0.00 0.00 61.98 58.32 1swa s VAL 31 Cb -0.14 -1.89 0.02 0.00 0.56 0.00 0.00 36.38 34.92 1swa s VAL 31 CO 0.00 -0.21 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.57 1swa s THR 32 N -1.77 1.29 -0.37 5.32 2.01 0.24 -1.69 115.64 120.67 1swa s THR 32 Ca 0.16 -0.51 -0.17 0.00 0.31 0.00 0.00 61.69 61.47 1swa s THR 32 Cb -0.07 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.23 1swa s THR 32 CO 0.07 0.40 0.47 0.00 -0.69 0.00 0.00 174.62 174.87 1swa s ALA 33 N 1.11 3.46 0.31 7.40 0.00 -1.26 -2.30 121.76 130.49 1swa s ALA 33 Ca -0.05 -1.18 -0.26 0.00 0.00 0.00 0.00 51.96 50.47 1swa s ALA 33 Cb -0.14 -2.99 -0.10 0.00 0.00 0.00 0.00 23.12 19.88 1swa s ALA 33 CO -0.02 -1.30 0.94 0.20 0.00 0.00 0.00 175.76 175.58 1swa s GLY 34 N 1.78 2.82 0.63 0.00 0.00 0.42 -4.89 107.32 108.09 1swa s GLY 34 Ca 0.16 0.52 0.36 0.00 0.00 0.00 0.00 44.72 45.76 1swa s GLY 34 CO 0.13 0.98 2.26 0.00 0.00 0.00 0.00 173.10 176.47 1swa h ALA 35 N 3.26 1.33 -1.95 3.20 0.00 -1.98 -1.95 119.26 121.16 1swa h ALA 35 Ca -0.47 -0.00 -0.61 0.00 0.00 0.00 0.00 54.91 53.84 1swa h ALA 35 Cb 1.19 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.58 1swa h ALA 35 CO 0.65 -0.08 -0.53 -3.47 0.00 0.00 0.00 179.25 175.82 1swa n ASP 36 N -3.42 4.80 0.00 0.00 2.03 -1.26 -4.90 116.55 113.80 1swa n ASP 36 Ca -0.02 -3.70 0.00 0.00 0.52 0.00 0.00 54.79 51.58 1swa n ASP 36 Cb 0.14 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 1swa n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1swa n GLY 37 N -0.32 0.75 3.82 0.27 0.00 -0.73 -5.00 105.19 103.98 1swa n GLY 37 Ca 0.35 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.82 2.95 -0.11 4.61 0.00 -1.25 -0.78 121.76 124.36 1swa s ALA 38 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1swa s ALA 38 Cb 0.00 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.97 1swa s ALA 38 CO 0.00 -0.35 -0.09 -0.51 0.00 0.00 0.00 175.76 174.81 1swa s LEU 39 N -3.97 1.34 0.11 0.00 1.02 -0.09 -0.44 118.68 116.65 1swa s LEU 39 Ca 0.62 -0.33 0.06 0.00 0.02 0.00 0.00 54.13 54.50 1swa s LEU 39 Cb -0.12 -0.90 -0.04 0.00 0.02 0.00 0.00 46.19 45.16 1swa s LEU 39 CO 0.28 -0.08 -0.15 0.42 0.02 0.00 0.00 176.35 176.84 1swa s THR 40 N 1.50 1.31 -3.97 5.49 -4.23 -0.97 -1.45 115.64 113.32 1swa s THR 40 Ca 0.02 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 1swa s THR 40 Cb -0.13 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.28 1swa s THR 40 CO -0.07 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 1swa n GLY 41 N 0.74 -1.83 3.25 3.99 0.00 -1.14 -0.59 105.19 109.62 1swa n GLY 41 Ca -0.17 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.61 1.56 -0.17 2.61 -4.23 0.20 -1.23 115.64 111.77 1swa s THR 42 Ca 0.00 -1.40 0.01 0.00 -1.18 0.00 0.00 61.69 59.12 1swa s THR 42 Cb 0.00 -1.42 0.02 0.00 1.34 0.00 0.00 72.50 72.44 1swa s THR 42 CO 0.00 -0.04 -0.20 -0.47 -0.54 0.00 0.00 174.62 173.38 1swa s TYR 43 N -1.09 2.76 0.32 3.99 6.14 -0.43 0.42 117.35 129.46 1swa s TYR 43 Ca 0.05 -1.53 0.08 0.00 0.64 0.00 0.00 57.07 56.31 1swa s TYR 43 Cb -0.10 -1.90 -0.06 0.00 0.42 0.00 0.00 41.96 40.32 1swa s TYR 43 CO 0.03 -0.74 -0.07 -1.21 0.64 0.00 0.00 175.55 174.20 1swa s GLU 44 N 1.16 1.72 0.00 4.97 2.02 -0.26 -0.75 118.70 127.57 1swa s GLU 44 Ca 0.02 -1.89 0.00 0.00 0.02 0.00 0.00 54.97 53.12 1swa s GLU 44 Cb -0.14 -1.47 0.00 0.00 0.10 0.00 0.00 34.13 32.62 1swa s GLU 44 CO -0.09 0.08 0.04 0.43 0.02 0.00 0.00 175.26 175.74 1swa n SER 45 N -0.72 0.08 -1.23 -0.19 7.64 -1.12 -1.67 113.62 116.41 1swa n SER 45 Ca -0.05 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 59.03 1swa n SER 45 Cb 0.64 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 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 -0.02 -2.92 0.11 6.43 6.94 -1.26 -4.90 115.26 119.63 1swa n ASN 49 Ca 0.00 0.46 0.18 0.00 -0.02 0.00 0.00 54.58 55.20 1swa n ASN 49 Cb 0.18 -2.72 0.59 0.00 -2.36 0.00 0.00 39.78 35.47 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 1.07 2.12 0.00 -2.53 0.00 -2.03 0.39 119.26 118.28 1swa h ALA 50 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1swa h ALA 50 Cb 0.05 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1swa h ALA 50 CO 0.00 -0.89 0.00 -0.85 0.00 0.00 0.00 179.25 177.51 1swa n GLU 51 N -3.24 0.19 -0.48 0.00 0.00 -1.26 -2.74 120.64 113.11 1swa n GLU 51 Ca 0.08 0.25 0.08 0.00 0.00 0.00 0.00 57.16 57.57 1swa n GLU 51 Cb 0.84 -1.77 0.29 0.00 0.00 0.00 0.00 31.44 30.80 1swa n GLU 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1swa n SER 52 N -2.11 4.14 -4.70 -1.84 3.41 0.14 -4.80 113.62 107.86 1swa n SER 52 Ca 0.05 -2.53 -0.37 0.00 -0.26 0.00 0.00 58.87 55.77 1swa n SER 52 Cb 0.35 -0.49 -0.08 0.00 -0.26 0.00 0.00 64.21 63.73 1swa n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1swa s ARG 53 N -1.97 4.19 0.09 4.33 3.00 -1.11 -2.80 118.95 124.67 1swa s ARG 53 Ca 0.42 -0.02 0.02 0.00 0.00 0.00 0.00 55.73 56.15 1swa s ARG 53 Cb 0.29 -3.47 -0.04 0.00 0.00 0.00 0.00 34.95 31.73 1swa s ARG 53 CO 0.18 0.15 -0.07 0.71 0.00 0.00 0.00 175.30 176.26 1swa s TYR 54 N 0.76 0.87 -0.02 -0.53 1.51 0.07 -4.79 117.35 115.22 1swa s TYR 54 Ca 0.14 -0.80 -0.24 0.00 -1.01 0.00 0.00 57.07 55.15 1swa s TYR 54 Cb -0.13 -0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 41.18 1swa s TYR 54 CO 0.04 -0.12 0.74 0.08 -1.11 0.00 0.00 175.55 175.18 1swa s VAL 55 N -3.02 4.91 0.13 0.71 1.01 -1.26 -1.31 120.40 121.57 1swa s VAL 55 Ca 0.07 1.56 0.07 0.00 0.00 0.00 0.00 61.98 63.67 1swa s VAL 55 Cb 0.01 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1swa s VAL 55 CO -0.03 0.29 -0.08 -1.48 0.00 0.00 0.00 175.10 173.80 1swa s LEU 56 N 0.45 3.09 -0.06 3.92 0.05 -0.36 -4.43 118.68 121.34 1swa s LEU 56 Ca 0.39 -0.41 -0.15 0.00 0.05 0.00 0.00 54.13 54.00 1swa s LEU 56 Cb -0.19 -1.84 0.03 0.00 -2.05 0.00 0.00 46.19 42.14 1swa s LEU 56 CO 0.21 0.15 0.36 0.28 -0.55 0.00 0.00 176.35 176.80 1swa s THR 57 N -1.38 0.03 0.00 5.48 -1.32 -0.54 -2.88 115.64 115.03 1swa s THR 57 Ca 0.23 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 1swa s THR 57 Cb -0.10 -0.61 0.00 0.00 -1.51 0.00 0.00 72.50 70.28 1swa s THR 57 CO 0.15 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1swa n GLY 58 N 1.83 1.48 3.16 6.08 0.00 -0.53 -0.22 105.19 116.99 1swa n GLY 58 Ca -0.18 -0.70 -0.08 0.00 0.00 0.00 0.00 46.02 45.06 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 0.46 0.81 0.07 1.61 1.81 -0.40 -0.92 118.95 122.39 1swa s ARG 59 Ca 0.00 -1.20 -0.09 0.00 -1.72 0.00 0.00 55.73 52.73 1swa s ARG 59 Cb 0.00 0.27 -0.00 0.00 -0.45 0.00 0.00 34.95 34.77 1swa s ARG 59 CO 0.00 -0.22 0.18 1.52 -0.68 0.00 0.00 175.30 176.10 1swa s TYR 60 N -3.94 0.14 -0.49 -0.53 1.13 0.04 -1.07 117.35 112.63 1swa s TYR 60 Ca 0.12 -0.50 -0.28 0.00 -1.41 0.00 0.00 57.07 54.99 1swa s TYR 60 Cb 0.06 -0.07 0.01 0.00 -1.10 0.00 0.00 41.96 40.87 1swa s TYR 60 CO -0.06 -0.50 1.40 0.34 -2.51 0.00 0.00 175.55 174.22 1swa s ASP 61 N -2.60 6.24 0.00 -0.18 2.15 -0.35 -4.45 116.67 117.49 1swa s ASP 61 Ca 0.02 0.56 0.17 0.00 0.43 0.00 0.00 52.55 53.72 1swa s ASP 61 Cb 0.03 -2.54 0.78 0.00 -0.30 0.00 0.00 42.92 40.88 1swa s ASP 61 CO -0.09 -1.56 1.53 -1.54 -0.17 0.00 0.00 175.17 173.35 1swa n SER 62 N 9.16 0.83 -3.02 -0.34 3.41 -1.26 -4.09 113.62 118.31 1swa n SER 62 Ca 0.14 -1.65 -0.18 0.00 -0.26 0.00 0.00 58.87 56.93 1swa n SER 62 Cb 0.49 -0.06 -0.02 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 -0.20 0.97 -1.25 7.33 0.00 -1.26 -5.01 120.51 121.09 1swa n ALA 63 Ca 0.13 -2.65 -0.30 0.00 0.00 0.00 0.00 53.44 50.63 1swa n ALA 63 Cb 0.18 -1.01 0.13 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.58 1.29 0.99 0.00 0.04 -1.26 -5.00 135.00 130.48 1swa s PRO 64 Ca 0.34 0.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.03 1swa s PRO 64 Cb 0.21 -1.82 0.16 0.00 0.04 0.00 0.00 34.50 33.09 1swa s PRO 64 CO -0.15 -2.20 0.96 0.00 0.04 0.00 0.00 177.00 175.65 1swa n ALA 65 N -3.85 -1.67 0.24 8.56 0.00 -1.26 -4.94 120.51 117.59 1swa n ALA 65 Ca 0.07 -0.73 0.08 0.00 0.00 0.00 0.00 53.44 52.86 1swa n ALA 65 Cb 0.56 -2.07 0.15 0.00 0.00 0.00 0.00 19.45 18.08 1swa n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1swa n THR 66 N -4.33 0.47 0.59 0.00 -2.24 -1.26 -4.59 114.28 102.92 1swa n THR 66 Ca 0.09 -0.74 0.08 0.00 -2.27 0.00 0.00 64.05 61.21 1swa n THR 66 Cb 0.53 0.95 0.23 0.00 -2.10 0.00 0.00 70.33 69.94 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 0.99 2.46 0.00 3.42 5.68 -1.26 -4.88 116.55 122.97 1swa n ASP 67 Ca 0.14 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.47 1swa n ASP 67 Cb 0.47 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 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 1.25 0.68 3.80 6.12 0.00 -1.26 -5.07 105.19 110.71 1swa n GLY 68 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.69 4.68 0.95 1.61 0.01 -1.26 -5.05 113.70 111.95 1swa s SER 69 Ca 0.00 1.45 -0.14 0.00 1.31 0.00 0.00 55.95 58.57 1swa s SER 69 Cb 0.00 -2.22 0.21 0.00 0.21 0.00 0.00 66.02 64.22 1swa s SER 69 CO 0.00 -1.87 1.29 -0.83 0.41 0.00 0.00 173.24 172.25 1swa s GLY 70 N -3.80 1.81 -0.41 3.44 0.00 -1.26 -4.84 107.32 102.26 1swa s GLY 70 Ca 0.60 -1.44 -0.10 0.00 0.00 0.00 0.00 44.72 43.78 1swa s GLY 70 CO 0.55 -0.64 0.25 -1.59 0.00 0.00 0.00 173.10 171.67 1swa s THR 71 N -3.81 4.41 0.43 0.90 2.01 -0.69 -4.74 115.64 114.15 1swa s THR 71 Ca 0.75 -1.19 -0.26 0.00 0.31 0.00 0.00 61.69 61.30 1swa s THR 71 Cb -0.02 -3.61 -0.09 0.00 0.01 0.00 0.00 72.50 68.78 1swa s THR 71 CO 0.52 -0.42 1.42 0.00 -0.69 0.00 0.00 174.62 175.46 1swa s ALA 72 N 1.48 3.30 0.26 7.40 0.00 -1.26 -0.25 121.76 132.70 1swa s ALA 72 Ca 0.02 1.46 -0.17 0.00 0.00 0.00 0.00 51.96 53.28 1swa s ALA 72 Cb -0.22 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.33 1swa s ALA 72 CO 0.04 -1.13 0.59 -0.48 0.00 0.00 0.00 175.76 174.78 1swa s LEU 73 N -2.58 0.05 0.07 0.00 0.05 -0.41 -1.21 118.68 114.65 1swa s LEU 73 Ca 0.59 -0.77 -0.22 0.00 0.05 0.00 0.00 54.13 53.78 1swa s LEU 73 Cb -0.44 2.22 0.05 0.00 -2.05 0.00 0.00 46.19 45.98 1swa s LEU 73 CO 0.57 -1.23 0.52 -0.83 -0.55 0.00 0.00 176.35 174.82 1swa s GLY 74 N -2.97 -0.44 0.16 -3.48 0.00 -0.23 -1.57 107.32 98.80 1swa s GLY 74 Ca 0.17 0.49 -0.15 0.00 0.00 0.00 0.00 44.72 45.23 1swa s GLY 74 CO 0.08 0.20 0.43 0.66 0.00 0.00 0.00 173.10 174.46 1swa s TRP 75 N -2.83 -0.03 0.04 1.90 -2.14 -0.48 -1.28 118.94 114.11 1swa s TRP 75 Ca -0.03 -0.31 0.05 0.00 2.66 0.00 0.00 56.10 58.47 1swa s TRP 75 Cb -0.00 0.25 -0.02 0.00 -3.10 0.00 0.00 33.47 30.59 1swa s TRP 75 CO -0.05 -0.80 -0.14 0.99 -2.66 0.00 0.00 176.95 174.29 1swa s THR 76 N -3.87 1.15 -0.12 0.66 2.01 0.69 -1.04 115.64 115.12 1swa s THR 76 Ca 0.09 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.10 1swa s THR 76 Cb 0.01 -1.03 0.02 0.00 0.01 0.00 0.00 72.50 71.51 1swa s THR 76 CO -0.05 0.04 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.12 1swa s VAL 77 N -0.82 1.23 -0.11 3.82 1.01 0.28 -1.47 120.40 124.35 1swa s VAL 77 Ca 0.02 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 1swa s VAL 77 Cb -0.08 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1swa s VAL 77 CO 0.01 0.40 0.55 0.00 0.00 0.00 0.00 175.10 176.06 1swa s ALA 78 N 1.45 3.45 -1.11 5.51 0.00 -1.26 0.08 121.76 129.88 1swa s ALA 78 Ca 0.02 -0.12 -0.07 0.00 0.00 0.00 0.00 51.96 51.79 1swa s ALA 78 Cb -0.13 -2.76 -0.00 0.00 0.00 0.00 0.00 23.12 20.23 1swa s ALA 78 CO -0.07 -0.09 2.78 0.91 0.00 0.00 0.00 175.76 179.30 1swa n TRP 79 N 3.85 2.05 -4.60 0.00 7.02 -0.18 -4.75 117.44 120.84 1swa n TRP 79 Ca -0.05 -2.60 -0.23 0.00 -1.02 0.00 0.00 57.50 53.60 1swa n TRP 79 Cb 0.51 -1.93 -0.16 0.00 -2.42 0.00 0.00 31.31 27.31 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 0.03 1.33 0.00 -0.99 2.20 -1.26 -0.87 119.74 120.18 1swa s LYS 80 Ca 0.61 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 1swa s LYS 80 Cb 0.23 -1.19 0.00 0.00 -1.51 0.00 0.00 37.83 35.36 1swa s LYS 80 CO -0.09 0.18 0.00 0.27 -0.36 0.00 0.00 175.35 175.34 1swa n ASN 81 N 3.21 0.50 -0.13 1.43 0.23 0.28 -4.74 115.26 116.04 1swa n ASN 81 Ca -0.18 -0.49 0.15 0.00 -0.53 0.00 0.00 54.58 53.53 1swa n ASN 81 Cb 0.54 0.00 0.76 0.00 -2.08 0.00 0.00 39.78 38.99 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 -1.23 0.44 -0.02 0.53 3.02 -1.26 -3.41 115.26 113.33 1swa n ASN 82 Ca 0.00 -0.93 -0.01 0.00 -0.03 0.00 0.00 54.58 53.61 1swa n ASN 82 Cb 0.00 -0.04 -0.05 0.00 -0.61 0.00 0.00 39.78 39.08 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 -0.76 0.00 -3.82 3.10 4.01 -1.26 -5.09 117.16 113.34 1swa n TYR 83 Ca 0.20 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.83 1swa n TYR 83 Cb 0.22 -0.28 -0.08 0.00 -0.31 0.00 0.00 39.34 38.89 1swa n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1swa s ARG 84 N -2.26 0.73 -0.22 -0.72 3.00 -1.22 -5.13 118.95 113.13 1swa s ARG 84 Ca -0.03 -0.61 -0.03 0.00 0.00 0.00 0.00 55.73 55.06 1swa s ARG 84 Cb 0.03 0.31 0.11 0.00 0.00 0.00 0.00 34.95 35.39 1swa s ARG 84 CO 0.28 -0.22 0.26 1.21 0.00 0.00 0.00 175.30 176.83 1swa s ASN 85 N -2.11 1.16 0.00 0.23 3.84 -1.25 0.10 114.94 116.91 1swa s ASN 85 Ca -0.05 -0.17 0.23 0.00 0.21 0.00 0.00 52.86 53.08 1swa s ASN 85 Cb -0.01 0.55 0.48 0.00 -0.55 0.00 0.00 41.25 41.72 1swa s ASN 85 CO -0.04 -0.33 1.43 0.00 -2.79 0.00 0.00 177.10 175.38 1swa n ALA 86 N 5.33 2.42 -3.55 1.71 0.00 -0.04 -4.94 120.51 121.43 1swa n ALA 86 Ca -0.05 -1.02 -0.20 0.00 0.00 0.00 0.00 53.44 52.18 1swa n ALA 86 Cb 0.49 -0.90 0.07 0.00 0.00 0.00 0.00 19.45 19.11 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 1.47 -2.16 -3.69 0.00 8.25 -1.26 -4.85 115.22 112.98 1swa n HIS 87 Ca 0.20 0.91 -0.10 0.00 -0.26 0.00 0.00 57.72 58.47 1swa n HIS 87 Cb 0.60 -4.81 -0.04 0.00 1.12 0.00 0.00 29.99 26.85 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 -4.24 -0.23 -0.03 0.41 1.04 -1.26 -1.69 113.70 107.71 1swa s SER 88 Ca 0.07 -0.41 -0.08 0.00 0.48 0.00 0.00 55.95 56.01 1swa s SER 88 Cb -0.03 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.61 1swa s SER 88 CO 0.76 -0.93 0.17 0.00 0.98 0.00 0.00 173.24 174.22 1swa s ALA 89 N -3.84 -0.42 -0.06 5.32 0.00 -0.64 -1.01 121.76 121.11 1swa s ALA 89 Ca 0.06 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.23 1swa s ALA 89 Cb 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 1swa s ALA 89 CO -0.08 -0.17 -0.24 0.99 0.00 0.00 0.00 175.76 176.27 1swa s THR 90 N -0.85 2.19 -0.11 0.00 2.01 0.11 -1.21 115.64 117.78 1swa s THR 90 Ca -0.09 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 60.91 1swa s THR 90 Cb -0.05 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 1swa s THR 90 CO 0.01 0.57 -0.18 0.42 -0.69 0.00 0.00 174.62 174.75 1swa s THR 91 N -0.23 2.59 -0.17 -0.82 -4.23 -0.61 -0.55 115.64 111.62 1swa s THR 91 Ca -0.01 -0.84 -0.04 0.00 -1.18 0.00 0.00 61.69 59.62 1swa s THR 91 Cb -0.13 -2.04 -0.03 0.00 1.34 0.00 0.00 72.50 71.64 1swa s THR 91 CO 0.03 0.54 -0.03 0.26 -0.54 0.00 0.00 174.62 174.88 1swa s TRP 92 N 0.26 3.01 -0.13 3.99 0.51 -0.21 -1.54 118.94 124.84 1swa s TRP 92 Ca -0.13 -0.38 0.02 0.00 -2.12 0.00 0.00 56.10 53.50 1swa s TRP 92 Cb -0.16 -1.99 0.01 0.00 -0.81 0.00 0.00 33.47 30.52 1swa s TRP 92 CO 0.07 -0.11 -0.19 0.45 -0.51 0.00 0.00 176.95 176.66 1swa s SER 93 N 0.55 2.84 0.00 2.95 0.15 -0.62 -1.38 113.70 118.18 1swa s SER 93 Ca -0.03 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1swa s SER 93 Cb -0.14 -1.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.87 1swa s SER 93 CO 0.03 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1swa n GLY 94 N 4.19 1.80 3.03 9.45 0.00 -0.61 -1.41 105.19 121.65 1swa n GLY 94 Ca -0.19 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 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 1.07 0.25 -0.00 1.61 -2.07 -0.82 -1.29 119.66 118.41 1swa s GLN 95 Ca 0.00 -0.01 -0.24 0.00 -1.82 0.00 0.00 55.36 53.29 1swa s GLN 95 Cb 0.00 0.11 -0.05 0.00 -1.09 0.00 0.00 33.01 31.98 1swa s GLN 95 CO 0.00 -0.04 0.73 -0.47 -1.32 0.00 0.00 175.29 174.18 1swa s TYR 96 N -0.39 3.67 -0.34 9.60 5.04 0.66 -2.16 117.35 133.43 1swa s TYR 96 Ca -0.05 1.36 0.02 0.00 -2.44 0.00 0.00 57.07 55.97 1swa s TYR 96 Cb -0.03 -2.80 0.09 0.00 0.35 0.00 0.00 41.96 39.57 1swa s TYR 96 CO 0.00 0.21 0.05 0.08 -1.34 0.00 0.00 175.55 174.55 1swa s VAL 97 N 0.27 2.54 0.46 3.14 1.01 0.42 -1.71 120.40 126.53 1swa s VAL 97 Ca 0.38 -2.07 -0.22 0.00 0.00 0.00 0.00 61.98 60.06 1swa s VAL 97 Cb -0.19 -2.74 -0.08 0.00 0.00 0.00 0.00 36.38 33.37 1swa s VAL 97 CO 0.21 -0.47 1.11 -0.83 0.00 0.00 0.00 175.10 175.11 1swa s GLY 98 N 1.16 2.69 0.00 4.51 0.00 -1.26 -2.42 107.32 112.01 1swa s GLY 98 Ca 0.05 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.57 1swa s GLY 98 CO -0.06 1.20 0.00 0.61 0.00 0.00 0.00 173.10 174.85 1swa n GLY 99 N 0.24 -0.52 0.32 0.20 0.00 -1.26 -4.92 105.19 99.25 1swa n GLY 99 Ca 0.08 -0.89 0.16 0.00 0.00 0.00 0.00 46.02 45.37 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 1.48 -3.31 4.61 0.00 -2.05 -3.33 119.26 116.66 1swa h ALA 100 Ca 0.00 0.21 -0.42 0.00 0.00 0.00 0.00 54.91 54.71 1swa h ALA 100 Cb 0.00 0.26 -0.37 0.00 0.00 0.00 0.00 17.79 17.68 1swa h ALA 100 CO 0.00 -0.49 -0.76 -1.83 0.00 0.00 0.00 179.25 176.17 1swa s GLU 101 N -5.85 0.51 0.01 0.00 -1.05 -1.26 -5.13 118.70 105.93 1swa s GLU 101 Ca -0.11 0.12 -0.30 0.00 -0.15 0.00 0.00 54.97 54.52 1swa s GLU 101 Cb 0.27 -0.84 -0.06 0.00 -0.44 0.00 0.00 34.13 33.06 1swa s GLU 101 CO 0.78 -0.27 1.43 0.00 0.95 0.00 0.00 175.26 178.15 1swa s ALA 102 N 1.78 3.59 0.03 -0.84 0.00 -1.25 -4.82 121.76 120.25 1swa s ALA 102 Ca 0.02 0.93 -0.00 0.00 0.00 0.00 0.00 51.96 52.90 1swa s ALA 102 Cb -0.13 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 1swa s ALA 102 CO -0.04 -0.92 -0.03 -0.98 0.00 0.00 0.00 175.76 173.79 1swa s ARG 103 N 2.37 0.38 -0.23 0.00 1.04 -1.01 -4.21 118.95 117.29 1swa s ARG 103 Ca 0.65 -0.74 -0.05 0.00 -1.04 0.00 0.00 55.73 54.55 1swa s ARG 103 Cb -0.33 0.13 -0.01 0.00 -2.04 0.00 0.00 34.95 32.70 1swa s ARG 103 CO 0.27 -0.06 -0.02 0.42 -0.04 0.00 0.00 175.30 175.87 1swa s ILE 104 N -2.00 3.58 -0.27 4.99 1.01 -0.21 -0.44 121.20 127.86 1swa s ILE 104 Ca -0.11 -0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.00 1swa s ILE 104 Cb -0.06 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 1swa s ILE 104 CO -0.03 0.40 0.18 0.20 0.00 0.00 0.00 174.94 175.68 1swa s ASN 105 N 1.51 5.98 0.16 3.58 0.01 -0.92 0.36 114.94 125.62 1swa s ASN 105 Ca 0.06 0.00 0.06 0.00 -0.71 0.00 0.00 52.86 52.27 1swa s ASN 105 Cb -0.14 -2.10 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 1swa s ASN 105 CO -0.02 -0.03 -0.12 0.42 -1.51 0.00 0.00 177.10 175.85 1swa s THR 106 N 1.61 1.38 0.04 1.60 -4.23 0.28 -1.94 115.64 114.37 1swa s THR 106 Ca 0.07 -2.05 0.06 0.00 -1.18 0.00 0.00 61.69 58.59 1swa s THR 106 Cb -0.15 -1.85 -0.03 0.00 1.34 0.00 0.00 72.50 71.80 1swa s THR 106 CO 0.09 -0.64 -0.12 -1.10 -0.54 0.00 0.00 174.62 172.31 1swa s GLN 107 N -3.52 2.27 0.22 3.99 -1.52 -0.50 -1.72 119.66 118.87 1swa s GLN 107 Ca 0.17 -0.89 0.02 0.00 -1.95 0.00 0.00 55.36 52.71 1swa s GLN 107 Cb 0.00 -2.33 -0.05 0.00 -0.22 0.00 0.00 33.01 30.41 1swa s GLN 107 CO 0.03 0.56 0.03 1.67 -0.25 0.00 0.00 175.29 177.32 1swa s TRP 108 N -1.02 1.42 -0.06 0.91 1.48 0.17 -1.59 118.94 120.24 1swa s TRP 108 Ca 0.17 -1.04 -0.01 0.00 -1.06 0.00 0.00 56.10 54.16 1swa s TRP 108 Cb -0.11 -0.82 0.03 0.00 -1.16 0.00 0.00 33.47 31.41 1swa s TRP 108 CO 0.08 -0.19 0.00 -0.51 -4.06 0.00 0.00 176.95 172.27 1swa s LEU 109 N -3.26 0.61 -0.29 -4.66 1.43 -0.59 -1.24 118.68 110.68 1swa s LEU 109 Ca 0.29 -0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 1swa s LEU 109 Cb 0.06 -0.40 0.01 0.00 0.03 0.00 0.00 46.19 45.90 1swa s LEU 109 CO 0.08 -0.19 0.07 -0.22 0.23 0.00 0.00 176.35 176.32 1swa s LEU 110 N 1.89 3.82 -0.16 1.79 2.96 -0.45 -1.57 118.68 126.95 1swa s LEU 110 Ca 0.03 -0.78 -0.07 0.00 -0.22 0.00 0.00 54.13 53.09 1swa s LEU 110 Cb -0.12 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1swa s LEU 110 CO -0.05 -0.20 0.07 -0.89 -1.32 0.00 0.00 176.35 173.97 1swa s THR 111 N 1.47 4.87 0.07 3.68 2.01 -0.35 -0.55 115.64 126.84 1swa s THR 111 Ca 0.02 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.03 1swa s THR 111 Cb -0.17 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1swa s THR 111 CO 0.02 0.50 0.10 -0.44 -0.69 0.00 0.00 174.62 174.10 1swa s SER 112 N 0.04 5.65 -0.06 3.53 0.01 -0.13 -1.62 113.70 121.12 1swa s SER 112 Ca 0.06 0.04 -0.30 0.00 1.31 0.00 0.00 55.95 57.07 1swa s SER 112 Cb -0.12 -1.56 -0.05 0.00 0.21 0.00 0.00 66.02 64.50 1swa s SER 112 CO 0.01 0.18 1.57 -0.83 0.41 0.00 0.00 173.24 174.58 1swa s GLY 113 N -2.34 1.58 0.13 3.44 0.00 -0.68 -4.85 107.32 104.59 1swa s GLY 113 Ca 0.29 0.87 0.04 0.00 0.00 0.00 0.00 44.72 45.92 1swa s GLY 113 CO 0.22 2.91 -0.09 -0.51 0.00 0.00 0.00 173.10 175.63 1swa s THR 114 N 3.78 1.04 1.01 0.90 -4.23 -1.26 -5.03 115.64 111.84 1swa s THR 114 Ca 0.70 -1.97 -0.13 0.00 -1.18 0.00 0.00 61.69 59.10 1swa s THR 114 Cb -0.32 -1.74 0.19 0.00 1.34 0.00 0.00 72.50 71.98 1swa s THR 114 CO 0.27 -0.74 1.11 0.42 -0.54 0.00 0.00 174.62 175.14 1swa s THR 115 N -3.25 1.95 0.38 3.99 -4.23 -1.26 -4.82 115.64 108.39 1swa s THR 115 Ca 0.14 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 60.89 1swa s THR 115 Cb 0.02 -2.57 0.25 0.00 1.34 0.00 0.00 72.50 71.54 1swa s THR 115 CO -0.01 0.00 2.01 -0.33 -0.54 0.00 0.00 174.62 175.75 1swa h GLU 116 N -1.91 0.00 0.00 3.99 4.39 -2.01 -1.99 114.58 117.06 1swa h GLU 116 Ca -0.52 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.16 1swa h GLU 116 Cb 1.33 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1swa h GLU 116 CO 0.55 0.17 -0.07 0.00 -1.16 0.00 0.00 179.01 178.50 1swa h ALA 117 N 1.83 0.99 -0.20 3.43 0.00 -2.07 -3.13 119.26 120.11 1swa h ALA 117 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1swa h ALA 117 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1swa h ALA 117 CO 0.02 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.45 1swa n ASN 118 N -3.16 2.46 -0.20 0.00 3.02 -0.79 -4.62 115.26 111.96 1swa n ASN 118 Ca 0.01 -1.79 0.13 0.00 -0.03 0.00 0.00 54.58 52.91 1swa n ASN 118 Cb 0.41 -0.13 0.44 0.00 -0.61 0.00 0.00 39.78 39.89 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 1.84 1.96 -0.50 5.41 0.00 -1.38 -1.55 119.26 125.04 1swa h ALA 119 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.03 1swa h ALA 119 Cb 0.60 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1swa h ALA 119 CO 0.00 -0.16 0.35 0.11 0.00 0.00 0.00 179.25 179.55 1swa h TRP 120 N 0.55 0.14 -0.57 0.00 5.08 -1.84 0.54 115.95 119.86 1swa h TRP 120 Ca 0.38 0.00 -0.35 0.00 1.08 0.00 0.00 58.89 60.01 1swa h TRP 120 Cb 0.71 -0.04 -0.21 0.00 -3.00 0.00 0.00 29.16 26.62 1swa h TRP 120 CO -0.00 0.06 -0.03 0.36 -1.28 0.00 0.00 178.44 177.55 1swa n LYS 121 N -4.43 2.31 0.18 0.12 2.85 -0.59 -4.68 118.16 113.93 1swa n LYS 121 Ca 0.09 -3.38 0.07 0.00 -1.05 0.00 0.00 58.31 54.04 1swa n LYS 121 Cb 0.48 -2.00 0.15 0.00 -0.65 0.00 0.00 35.03 33.02 1swa n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1swa h SER 122 N 1.36 0.00 -3.24 -5.58 4.64 -0.87 -3.47 113.55 106.39 1swa h SER 122 Ca 0.34 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.13 1swa h SER 122 Cb 1.62 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.35 1swa h SER 122 CO 0.68 0.28 -0.81 -0.89 -0.87 0.00 0.00 176.83 175.22 1swa s THR 123 N -3.16 1.10 0.24 2.95 2.01 -1.26 -0.96 115.64 116.57 1swa s THR 123 Ca 0.04 -0.37 -0.06 0.00 0.31 0.00 0.00 61.69 61.61 1swa s THR 123 Cb 0.07 -1.08 -0.06 0.00 0.01 0.00 0.00 72.50 71.44 1swa s THR 123 CO 0.70 0.37 0.51 -0.76 -0.69 0.00 0.00 174.62 174.75 1swa s LEU 124 N 1.39 4.13 -0.03 4.42 1.43 0.29 -4.92 118.68 125.39 1swa s LEU 124 Ca -0.01 0.73 0.03 0.00 -1.03 0.00 0.00 54.13 53.86 1swa s LEU 124 Cb -0.13 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1swa s LEU 124 CO -0.05 -0.11 -0.13 0.54 0.23 0.00 0.00 176.35 176.83 1swa s VAL 125 N -1.92 1.07 0.00 -1.59 0.11 -1.26 -1.34 120.40 115.46 1swa s VAL 125 Ca 0.44 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 1swa s VAL 125 Cb -0.11 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 1swa s VAL 125 CO 0.26 0.32 0.00 0.61 -3.33 0.00 0.00 175.10 172.96 1swa n GLY 126 N 3.22 3.09 3.29 6.54 0.00 -0.37 -4.98 105.19 115.98 1swa n GLY 126 Ca -0.18 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.41 0.45 -0.26 1.61 -3.43 -1.26 0.44 115.29 109.43 1swa s HIS 127 Ca 0.00 -0.83 -0.22 0.00 -0.80 0.00 0.00 55.06 53.22 1swa s HIS 127 Cb 0.00 -0.13 0.07 0.00 -1.43 0.00 0.00 32.58 31.08 1swa s HIS 127 CO 0.00 -0.66 0.68 0.34 -2.00 0.00 0.00 174.74 173.10 1swa s ASP 128 N -2.97 -0.75 -0.15 7.38 -1.08 -0.70 -4.92 116.67 113.47 1swa s ASP 128 Ca 0.17 1.39 -0.02 0.00 -0.52 0.00 0.00 52.55 53.57 1swa s ASP 128 Cb 0.04 1.38 -0.02 0.00 -1.46 0.00 0.00 42.92 42.86 1swa s ASP 128 CO -0.01 -0.24 -0.10 -0.89 0.52 0.00 0.00 175.17 174.46 1swa s THR 129 N 0.63 3.28 -0.04 1.71 2.01 -1.26 -0.56 115.64 121.41 1swa s THR 129 Ca -0.02 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 1swa s THR 129 Cb -0.05 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 1swa s THR 129 CO -0.03 0.50 0.06 -0.36 -0.69 0.00 0.00 174.62 174.10 1swa s PHE 130 N 0.56 3.27 0.21 4.92 0.40 0.16 -4.21 117.98 123.29 1swa s PHE 130 Ca -0.06 0.23 0.02 0.00 -0.60 0.00 0.00 56.93 56.52 1swa s PHE 130 Cb -0.15 -1.77 -0.05 0.00 0.51 0.00 0.00 43.02 41.56 1swa s PHE 130 CO 0.03 0.54 0.03 0.95 0.70 0.00 0.00 175.22 177.47 1swa s THR 131 N -1.09 0.75 -2.11 0.64 -4.23 -0.01 -1.04 115.64 108.55 1swa s THR 131 Ca 0.19 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.99 1swa s THR 131 Cb -0.12 -2.32 0.59 0.00 1.34 0.00 0.00 72.50 71.99 1swa s THR 131 CO 0.09 -0.30 1.87 0.29 -0.54 0.00 0.00 174.62 176.03 1swa n LYS 132 N -0.35 1.20 0.00 3.99 5.02 -1.26 -0.25 118.16 126.51 1swa n LYS 132 Ca -0.04 -0.52 0.08 0.00 -2.02 0.00 0.00 58.31 55.81 1swa n LYS 132 Cb 0.64 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 34.23 1swa n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16