#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swo h ILE 17 N 0.00 1.29 -3.46 -0.61 2.04 -1.98 -3.44 117.51 111.35 1swo h ILE 17 Ca 0.00 -1.39 -0.53 0.00 1.00 0.00 0.00 64.86 63.95 1swo h ILE 17 Cb 0.00 1.71 0.06 0.00 -0.74 0.00 0.00 36.82 37.84 1swo h ILE 17 CO 0.00 0.40 0.73 -0.89 0.00 0.00 0.00 178.15 178.39 1swo s THR 18 N -4.15 2.74 -4.55 -0.27 2.01 -1.26 -4.78 115.64 105.38 1swo s THR 18 Ca -0.03 0.64 0.00 0.00 0.31 0.00 0.00 61.69 62.61 1swo s THR 18 Cb 0.14 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 69.24 1swo s THR 18 CO 0.74 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 175.39 1swo n GLY 19 N 2.00 0.88 3.39 4.40 0.00 0.23 -5.00 105.19 111.09 1swo n GLY 19 Ca 0.06 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 1swo n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swo s THR 20 N -2.94 3.25 0.18 2.61 2.01 -1.26 -1.26 115.64 118.24 1swo s THR 20 Ca 0.00 -0.58 0.08 0.00 0.31 0.00 0.00 61.69 61.50 1swo s THR 20 Cb 0.00 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 1swo s THR 20 CO 0.00 0.50 -0.16 0.26 -0.69 0.00 0.00 174.62 174.53 1swo s TRP 21 N 0.51 1.77 0.00 4.92 0.52 0.23 -4.50 118.94 122.40 1swo s TRP 21 Ca -0.07 -0.51 0.03 0.00 0.02 0.00 0.00 56.10 55.57 1swo s TRP 21 Cb -0.15 -0.85 -0.01 0.00 -1.15 0.00 0.00 33.47 31.30 1swo s TRP 21 CO 0.04 0.35 -0.11 0.71 0.02 0.00 0.00 176.95 177.96 1swo s TYR 22 N -2.46 0.96 0.56 -1.98 2.02 -0.01 0.16 117.35 116.60 1swo s TYR 22 Ca 0.19 -0.23 0.06 0.00 -0.37 0.00 0.00 57.07 56.71 1swo s TYR 22 Cb -0.04 -0.61 0.06 0.00 -0.40 0.00 0.00 41.96 40.98 1swo s TYR 22 CO 0.07 -0.01 0.77 0.54 -1.57 0.00 0.00 175.55 175.35 1swo s ASN 23 N -0.50 5.13 0.55 2.29 4.22 -1.03 -1.05 114.94 124.56 1swo s ASN 23 Ca 0.03 -0.48 0.31 0.00 -2.14 0.00 0.00 52.86 50.57 1swo s ASN 23 Cb -0.05 -0.23 1.47 0.00 1.28 0.00 0.00 41.25 43.71 1swo s ASN 23 CO -0.00 -1.25 1.88 0.06 -2.04 0.00 0.00 177.10 175.74 1swo h GLN 24 N 0.14 0.00 -0.01 3.55 -0.00 -1.91 -2.75 115.11 114.13 1swo h GLN 24 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.29 1swo h GLN 24 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 1swo h GLN 24 CO 0.44 0.00 -0.38 1.28 -0.00 0.00 0.00 178.83 180.17 1swo n LEU 25 N -4.08 1.79 0.00 0.06 4.77 -1.26 -4.98 117.00 113.30 1swo n LEU 25 Ca 0.16 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1swo n LEU 25 Cb 0.89 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 1swo n LEU 25 CO 0.35 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1swo n GLY 26 N 1.24 0.98 3.83 -0.72 0.00 -1.04 -5.09 105.19 104.40 1swo n GLY 26 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1swo n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swo s SER 27 N -2.09 6.97 -0.09 1.61 0.01 -1.26 -4.79 113.70 114.06 1swo s SER 27 Ca 0.00 1.34 0.03 0.00 1.31 0.00 0.00 55.95 58.63 1swo s SER 27 Cb 0.00 -2.39 -0.02 0.00 0.21 0.00 0.00 66.02 63.82 1swo s SER 27 CO 0.00 -0.01 -0.17 -0.89 0.41 0.00 0.00 173.24 172.59 1swo s THR 28 N -1.61 2.76 -0.24 1.44 2.01 -0.35 -2.45 115.64 117.20 1swo s THR 28 Ca 0.45 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.65 1swo s THR 28 Cb -0.15 -2.10 0.07 0.00 0.01 0.00 0.00 72.50 70.33 1swo s THR 28 CO 0.20 0.56 -0.01 0.12 -0.69 0.00 0.00 174.62 174.80 1swo s PHE 29 N -0.09 2.12 -0.37 4.92 5.36 0.12 -0.99 117.98 129.06 1swo s PHE 29 Ca -0.03 -1.67 -0.14 0.00 -0.96 0.00 0.00 56.93 54.13 1swo s PHE 29 Cb -0.14 -1.59 -0.00 0.00 -0.34 0.00 0.00 43.02 40.95 1swo s PHE 29 CO 0.04 -0.77 0.29 0.42 -1.46 0.00 0.00 175.22 173.73 1swo s ILE 30 N 1.48 5.25 0.12 3.12 1.01 -0.74 -0.60 121.20 130.84 1swo s ILE 30 Ca -0.01 -0.35 0.10 0.00 0.00 0.00 0.00 60.65 60.39 1swo s ILE 30 Cb -0.18 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1swo s ILE 30 CO -0.09 -0.15 -0.23 0.68 0.00 0.00 0.00 174.94 175.15 1swo s VAL 31 N 1.76 2.50 -0.17 2.92 -7.23 -0.39 -1.80 120.40 117.99 1swo s VAL 31 Ca 0.07 -1.63 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 1swo s VAL 31 Cb -0.18 -2.12 0.01 0.00 0.56 0.00 0.00 36.38 34.65 1swo s VAL 31 CO 0.11 0.11 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.95 1swo s THR 32 N -1.08 2.39 -0.28 5.32 2.01 0.94 -0.60 115.64 124.34 1swo s THR 32 Ca 0.15 -0.85 -0.16 0.00 0.31 0.00 0.00 61.69 61.15 1swo s THR 32 Cb -0.10 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 1swo s THR 32 CO 0.07 0.52 0.41 0.00 -0.69 0.00 0.00 174.62 174.93 1swo s ALA 33 N 1.07 3.56 0.25 7.40 0.00 -1.26 -1.20 121.76 131.58 1swo s ALA 33 Ca -0.01 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 1swo s ALA 33 Cb -0.14 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1swo s ALA 33 CO -0.06 -0.74 0.44 0.20 0.00 0.00 0.00 175.76 175.60 1swo s GLY 34 N 1.64 1.65 0.31 0.00 0.00 -0.10 -4.90 107.32 105.93 1swo s GLY 34 Ca 0.16 -0.85 0.06 0.00 0.00 0.00 0.00 44.72 44.10 1swo s GLY 34 CO 0.10 -0.79 1.80 0.00 0.00 0.00 0.00 173.10 174.21 1swo h ALA 35 N 1.61 1.70 -2.13 3.20 0.00 -1.98 -1.34 119.26 120.32 1swo h ALA 35 Ca -0.49 0.05 -0.62 0.00 0.00 0.00 0.00 54.91 53.85 1swo h ALA 35 Cb 1.20 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 18.48 1swo h ALA 35 CO 0.66 -0.03 -0.38 -3.47 0.00 0.00 0.00 179.25 176.03 1swo n ASP 36 N -4.69 4.93 0.00 0.00 2.03 -1.26 -4.90 116.55 112.66 1swo n ASP 36 Ca 0.22 -3.69 0.00 0.00 0.52 0.00 0.00 54.79 51.84 1swo n ASP 36 Cb 0.53 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 1swo n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1swo n GLY 37 N -0.21 0.62 3.80 0.27 0.00 -0.50 -5.02 105.19 104.15 1swo n GLY 37 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 1swo n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swo s ALA 38 N -2.31 3.20 -0.15 4.61 0.00 -1.25 -1.79 121.76 124.07 1swo s ALA 38 Ca 0.00 0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1swo s ALA 38 Cb 0.00 -3.08 0.01 0.00 0.00 0.00 0.00 23.12 20.05 1swo s ALA 38 CO 0.00 0.20 -0.19 -0.51 0.00 0.00 0.00 175.76 175.26 1swo s LEU 39 N -2.46 2.26 0.06 0.00 1.02 0.68 -0.92 118.68 119.32 1swo s LEU 39 Ca 0.53 -0.55 0.03 0.00 0.02 0.00 0.00 54.13 54.16 1swo s LEU 39 Cb -0.15 -1.50 -0.03 0.00 0.02 0.00 0.00 46.19 44.54 1swo s LEU 39 CO 0.19 0.08 -0.09 0.42 0.02 0.00 0.00 176.35 176.97 1swo s THR 40 N 0.83 0.70 -4.72 5.49 -4.23 -0.34 -1.26 115.64 112.11 1swo s THR 40 Ca -0.06 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1swo s THR 40 Cb -0.15 -0.86 0.00 0.00 1.34 0.00 0.00 72.50 72.83 1swo s THR 40 CO -0.01 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 1swo n GLY 41 N 1.21 -0.50 3.05 3.99 0.00 -1.17 -0.04 105.19 111.73 1swo n GLY 41 Ca -0.21 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 1swo n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swo s THR 42 N -3.31 0.51 -0.16 2.61 -4.23 -0.75 -1.91 115.64 108.41 1swo s THR 42 Ca 0.00 -1.01 -0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1swo s THR 42 Cb 0.00 -0.57 -0.00 0.00 1.34 0.00 0.00 72.50 73.26 1swo s THR 42 CO 0.00 -0.35 -0.14 -0.47 -0.54 0.00 0.00 174.62 173.12 1swo s TYR 43 N -1.29 2.80 0.30 3.99 6.14 0.41 -1.80 117.35 127.90 1swo s TYR 43 Ca -0.09 -0.98 0.03 0.00 0.64 0.00 0.00 57.07 56.66 1swo s TYR 43 Cb -0.09 -1.90 -0.05 0.00 0.42 0.00 0.00 41.96 40.33 1swo s TYR 43 CO 0.00 -0.45 0.09 -1.21 0.64 0.00 0.00 175.55 174.62 1swo s GLU 44 N 0.80 1.56 0.00 4.97 2.02 -0.16 -1.26 118.70 126.63 1swo s GLU 44 Ca -0.05 -1.87 0.00 0.00 0.02 0.00 0.00 54.97 53.07 1swo s GLU 44 Cb -0.15 -0.53 0.00 0.00 0.10 0.00 0.00 34.13 33.55 1swo s GLU 44 CO 0.00 -0.28 0.12 0.43 0.02 0.00 0.00 175.26 175.56 1swo n SER 45 N -0.65 0.00 -0.20 -0.19 7.64 -1.14 -1.21 113.62 117.87 1swo n SER 45 Ca -0.01 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.87 1swo n SER 45 Cb 0.66 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1swo n SER 45 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1swo n ASN 49 N 0.00 0.00 0.15 6.43 0.23 -1.26 -4.92 115.26 115.89 1swo n ASN 49 Ca 0.00 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.14 1swo n ASN 49 Cb 0.46 -0.61 0.60 0.00 -2.08 0.00 0.00 39.78 38.15 1swo n ASN 49 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1swo h ALA 50 N -0.40 2.03 0.00 -2.53 0.00 -2.04 -2.01 119.26 114.31 1swo h ALA 50 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1swo h ALA 50 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1swo h ALA 50 CO 0.00 -0.07 0.00 -0.85 0.00 0.00 0.00 179.25 178.33 1swo n GLU 51 N -4.50 0.12 -0.40 0.00 0.00 -1.26 -2.25 120.64 112.34 1swo n GLU 51 Ca 0.01 0.40 0.08 0.00 0.00 0.00 0.00 57.16 57.64 1swo n GLU 51 Cb 0.19 -1.74 0.25 0.00 0.00 0.00 0.00 31.44 30.14 1swo n GLU 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1swo n SER 52 N -1.96 3.81 -4.51 -1.84 3.41 -0.75 -4.72 113.62 107.05 1swo n SER 52 Ca 0.02 -2.50 -0.36 0.00 -0.26 0.00 0.00 58.87 55.77 1swo n SER 52 Cb 0.18 -0.44 -0.12 0.00 -0.26 0.00 0.00 64.21 63.57 1swo n SER 52 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1swo s ARG 53 N -1.91 3.75 0.06 4.33 3.52 -0.96 -2.90 118.95 124.85 1swo s ARG 53 Ca 0.38 -0.44 0.04 0.00 -0.13 0.00 0.00 55.73 55.58 1swo s ARG 53 Cb 0.26 -3.27 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 1swo s ARG 53 CO 0.16 -0.02 -0.11 0.71 -0.81 0.00 0.00 175.30 175.22 1swo s TYR 54 N 1.17 0.99 0.23 5.12 1.51 -0.39 -4.80 117.35 121.17 1swo s TYR 54 Ca 0.04 -0.49 -0.30 0.00 -1.01 0.00 0.00 57.07 55.31 1swo s TYR 54 Cb -0.14 -0.56 -0.09 0.00 -0.11 0.00 0.00 41.96 41.06 1swo s TYR 54 CO 0.03 -0.00 1.04 0.08 -1.11 0.00 0.00 175.55 175.59 1swo s VAL 55 N -1.42 3.82 0.20 0.71 1.01 -1.26 -0.44 120.40 123.03 1swo s VAL 55 Ca -0.05 1.74 0.10 0.00 0.00 0.00 0.00 61.98 63.78 1swo s VAL 55 Cb -0.09 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1swo s VAL 55 CO 0.01 0.38 -0.20 -1.48 0.00 0.00 0.00 175.10 173.81 1swo s LEU 56 N -1.00 2.48 0.02 3.92 0.05 -0.80 -4.34 118.68 119.01 1swo s LEU 56 Ca 0.45 -0.92 -0.15 0.00 0.05 0.00 0.00 54.13 53.56 1swo s LEU 56 Cb -0.29 -0.98 0.03 0.00 -2.05 0.00 0.00 46.19 42.90 1swo s LEU 56 CO 0.36 0.01 0.34 0.28 -0.55 0.00 0.00 176.35 176.79 1swo s THR 57 N -2.14 0.07 0.00 5.48 -1.32 -0.80 -3.07 115.64 113.86 1swo s THR 57 Ca 0.21 -0.56 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 1swo s THR 57 Cb -0.06 -0.85 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 1swo s THR 57 CO 0.09 -0.31 0.00 0.61 -2.21 0.00 0.00 174.62 172.81 1swo n GLY 58 N 0.77 1.68 3.10 6.08 0.00 -0.39 -1.11 105.19 115.31 1swo n GLY 58 Ca -0.19 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 1swo n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swo s ARG 59 N 0.31 0.53 0.07 1.61 1.81 -0.92 -0.23 118.95 122.13 1swo s ARG 59 Ca 0.00 -0.65 -0.01 0.00 -1.72 0.00 0.00 55.73 53.34 1swo s ARG 59 Cb 0.00 0.21 -0.04 0.00 -0.45 0.00 0.00 34.95 34.67 1swo s ARG 59 CO 0.00 -0.13 -0.01 1.52 -0.68 0.00 0.00 175.30 176.01 1swo s TYR 60 N -2.18 0.57 -0.49 -0.53 1.13 -0.74 -2.04 117.35 113.07 1swo s TYR 60 Ca -0.09 -1.08 -0.27 0.00 -1.41 0.00 0.00 57.07 54.22 1swo s TYR 60 Cb -0.04 -0.39 -0.02 0.00 -1.10 0.00 0.00 41.96 40.41 1swo s TYR 60 CO -0.03 -0.41 1.79 0.34 -2.51 0.00 0.00 175.55 174.73 1swo s ASP 61 N -2.94 5.60 0.00 -0.18 -1.08 -0.16 -4.55 116.67 113.36 1swo s ASP 61 Ca 0.10 0.73 0.31 0.00 -0.52 0.00 0.00 52.55 53.17 1swo s ASP 61 Cb 0.08 -2.53 1.75 0.00 -1.46 0.00 0.00 42.92 40.75 1swo s ASP 61 CO -0.08 -2.04 2.14 -1.54 0.52 0.00 0.00 175.17 174.17 1swo n SER 62 N 11.47 0.15 -3.18 -0.34 3.41 -1.26 -3.96 113.62 119.92 1swo n SER 62 Ca 0.21 -0.89 -0.22 0.00 -0.26 0.00 0.00 58.87 57.71 1swo n SER 62 Cb 0.50 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.35 1swo n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swo n ALA 63 N -0.94 2.23 -0.67 7.33 0.00 -1.26 -5.01 120.51 122.18 1swo n ALA 63 Ca 0.22 -3.36 -0.29 0.00 0.00 0.00 0.00 53.44 50.01 1swo n ALA 63 Cb 0.16 -0.85 0.26 0.00 0.00 0.00 0.00 19.45 19.01 1swo n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swo s PRO 64 N -1.48 -1.62 0.55 0.00 0.04 -1.25 -5.00 135.00 126.24 1swo s PRO 64 Ca 0.36 0.33 -0.19 0.00 0.04 0.00 0.00 61.00 61.54 1swo s PRO 64 Cb 0.22 -1.51 -0.05 0.00 0.04 0.00 0.00 34.50 33.19 1swo s PRO 64 CO -0.10 -4.06 1.11 0.00 0.04 0.00 0.00 177.00 173.98 1swo s ALA 65 N -2.57 2.70 -1.15 8.56 0.00 -1.26 -4.97 121.76 123.07 1swo s ALA 65 Ca 0.69 0.74 0.16 0.00 0.00 0.00 0.00 51.96 53.54 1swo s ALA 65 Cb -0.17 -3.33 0.49 0.00 0.00 0.00 0.00 23.12 20.11 1swo s ALA 65 CO 0.60 -0.77 1.41 0.25 0.00 0.00 0.00 175.76 177.25 1swo n THR 66 N -1.43 1.28 1.31 0.00 -2.24 -1.26 -4.49 114.28 107.45 1swo n THR 66 Ca 0.11 -1.13 0.14 0.00 -2.27 0.00 0.00 64.05 60.90 1swo n THR 66 Cb 0.51 0.36 0.52 0.00 -2.10 0.00 0.00 70.33 69.62 1swo n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swo n ASP 67 N 0.80 0.59 0.00 3.42 5.68 -1.26 -4.89 116.55 120.89 1swo n ASP 67 Ca 0.18 -0.57 0.00 0.00 -0.50 0.00 0.00 54.79 53.90 1swo n ASP 67 Cb 0.60 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 1swo n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swo n GLY 68 N 1.32 1.16 3.78 6.12 0.00 -1.26 -5.12 105.19 111.20 1swo n GLY 68 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1swo n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swo s SER 69 N -1.42 4.86 0.93 1.61 0.01 -1.26 -5.03 113.70 113.39 1swo s SER 69 Ca 0.00 1.79 -0.13 0.00 1.31 0.00 0.00 55.95 58.92 1swo s SER 69 Cb 0.00 -2.52 0.21 0.00 0.21 0.00 0.00 66.02 63.92 1swo s SER 69 CO 0.00 -1.80 1.26 0.61 0.41 0.00 0.00 173.24 173.72 1swo n GLY 70 N -1.34 -0.96 3.45 3.44 0.00 -1.26 -4.81 105.19 103.71 1swo n GLY 70 Ca 0.09 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 1swo n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swo s THR 71 N -3.72 4.76 0.31 2.61 2.01 0.04 -4.77 115.64 116.88 1swo s THR 71 Ca 0.74 -0.43 -0.29 0.00 0.31 0.00 0.00 61.69 62.02 1swo s THR 71 Cb -0.02 -3.46 -0.10 0.00 0.01 0.00 0.00 72.50 68.92 1swo s THR 71 CO 0.51 0.01 1.38 0.00 -0.69 0.00 0.00 174.62 175.83 1swo s ALA 72 N 1.63 3.56 0.29 7.40 0.00 -1.26 0.14 121.76 133.52 1swo s ALA 72 Ca 0.05 1.34 -0.13 0.00 0.00 0.00 0.00 51.96 53.21 1swo s ALA 72 Cb -0.17 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.43 1swo s ALA 72 CO 0.07 -0.74 0.56 -0.48 0.00 0.00 0.00 175.76 175.17 1swo s LEU 73 N -1.34 0.27 -0.07 0.00 0.05 -0.26 -0.98 118.68 116.36 1swo s LEU 73 Ca 0.53 -0.98 -0.30 0.00 0.05 0.00 0.00 54.13 53.43 1swo s LEU 73 Cb -0.42 2.04 0.09 0.00 -2.05 0.00 0.00 46.19 45.86 1swo s LEU 73 CO 0.51 -1.27 0.79 -0.83 -0.55 0.00 0.00 176.35 175.00 1swo s GLY 74 N -3.04 -0.47 0.18 -3.48 0.00 -0.87 -1.36 107.32 98.28 1swo s GLY 74 Ca 0.21 1.46 -0.11 0.00 0.00 0.00 0.00 44.72 46.28 1swo s GLY 74 CO 0.11 0.88 0.35 0.66 0.00 0.00 0.00 173.10 175.09 1swo s TRP 75 N -1.50 0.31 0.03 1.90 -2.14 -0.36 -2.16 118.94 115.02 1swo s TRP 75 Ca -0.06 -0.67 0.06 0.00 2.66 0.00 0.00 56.10 58.09 1swo s TRP 75 Cb -0.00 0.05 -0.02 0.00 -3.10 0.00 0.00 33.47 30.39 1swo s TRP 75 CO 0.04 -0.79 -0.18 0.99 -2.66 0.00 0.00 176.95 174.35 1swo s THR 76 N -3.96 1.47 -0.10 0.66 2.01 -0.27 -0.95 115.64 114.50 1swo s THR 76 Ca 0.17 -1.07 0.01 0.00 0.31 0.00 0.00 61.69 61.11 1swo s THR 76 Cb 0.02 -1.28 0.02 0.00 0.01 0.00 0.00 72.50 71.27 1swo s THR 76 CO 0.01 0.18 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.33 1swo s VAL 77 N -0.75 1.11 -0.08 3.82 1.01 -0.33 -1.91 120.40 123.27 1swo s VAL 77 Ca 0.06 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 1swo s VAL 77 Cb -0.08 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 1swo s VAL 77 CO 0.01 0.37 0.44 0.00 0.00 0.00 0.00 175.10 175.92 1swo s ALA 78 N 1.27 3.55 -1.31 5.51 0.00 -1.26 -0.70 121.76 128.82 1swo s ALA 78 Ca -0.03 -0.21 -0.06 0.00 0.00 0.00 0.00 51.96 51.65 1swo s ALA 78 Cb -0.14 -2.55 0.06 0.00 0.00 0.00 0.00 23.12 20.49 1swo s ALA 78 CO -0.04 0.16 2.57 0.91 0.00 0.00 0.00 175.76 179.37 1swo n TRP 79 N 3.05 2.44 -4.82 0.00 7.02 -0.06 -4.79 117.44 120.28 1swo n TRP 79 Ca -0.10 -2.80 -0.27 0.00 -1.02 0.00 0.00 57.50 53.31 1swo n TRP 79 Cb 0.52 -1.95 -0.16 0.00 -2.42 0.00 0.00 31.31 27.29 1swo n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swo s LYS 80 N -0.41 2.01 0.00 -0.99 2.20 -1.26 -0.51 119.74 120.79 1swo s LYS 80 Ca 0.58 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 1swo s LYS 80 Cb 0.20 -1.65 0.00 0.00 -1.51 0.00 0.00 37.83 34.87 1swo s LYS 80 CO -0.09 0.15 0.00 0.27 -0.36 0.00 0.00 175.35 175.32 1swo n ASN 81 N 3.47 0.17 0.11 1.43 0.23 0.58 -4.77 115.26 116.47 1swo n ASN 81 Ca -0.20 -0.91 0.11 0.00 -0.53 0.00 0.00 54.58 53.05 1swo n ASN 81 Cb 0.52 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.68 1swo n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swo n ASN 82 N -2.57 0.57 -0.06 0.53 3.02 -1.26 -3.50 115.26 112.00 1swo n ASN 82 Ca 0.00 0.63 -0.06 0.00 -0.03 0.00 0.00 54.58 55.11 1swo n ASN 82 Cb 0.00 -0.75 -0.09 0.00 -0.61 0.00 0.00 39.78 38.33 1swo n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1swo n TYR 83 N -2.12 0.00 -3.98 3.10 4.01 -1.26 -5.06 117.16 111.85 1swo n TYR 83 Ca 0.03 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.68 1swo n TYR 83 Cb 0.25 -0.57 -0.11 0.00 -0.31 0.00 0.00 39.34 38.59 1swo n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1swo s ARG 84 N -2.28 0.31 -0.20 -0.72 0.52 -1.23 -5.13 118.95 110.22 1swo s ARG 84 Ca -0.07 -0.61 -0.04 0.00 -0.52 0.00 0.00 55.73 54.49 1swo s ARG 84 Cb 0.04 0.11 0.08 0.00 0.52 0.00 0.00 34.95 35.69 1swo s ARG 84 CO 0.46 -0.05 0.14 1.21 0.02 0.00 0.00 175.30 177.09 1swo s ASN 85 N -1.45 2.22 0.00 0.23 3.84 -1.25 -0.31 114.94 118.22 1swo s ASN 85 Ca -0.16 -0.61 0.23 0.00 0.21 0.00 0.00 52.86 52.53 1swo s ASN 85 Cb -0.10 -0.04 0.53 0.00 -0.55 0.00 0.00 41.25 41.09 1swo s ASN 85 CO -0.01 -0.36 1.45 0.00 -2.79 0.00 0.00 177.10 175.39 1swo n ALA 86 N 5.29 2.47 -3.55 1.71 0.00 0.33 -4.95 120.51 121.82 1swo n ALA 86 Ca -0.06 -0.73 -0.20 0.00 0.00 0.00 0.00 53.44 52.45 1swo n ALA 86 Cb 0.48 -0.95 0.06 0.00 0.00 0.00 0.00 19.45 19.04 1swo n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swo n HIS 87 N 1.00 -2.08 -3.70 0.00 8.25 -1.26 -4.84 115.22 112.60 1swo n HIS 87 Ca 0.17 0.85 -0.05 0.00 -0.26 0.00 0.00 57.72 58.43 1swo n HIS 87 Cb 0.51 -4.52 -0.02 0.00 1.12 0.00 0.00 29.99 27.07 1swo n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swo s SER 88 N -4.17 -0.25 -0.03 0.41 1.04 -1.26 -1.32 113.70 108.12 1swo s SER 88 Ca 0.10 -0.32 -0.05 0.00 0.48 0.00 0.00 55.95 56.15 1swo s SER 88 Cb -0.02 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.61 1swo s SER 88 CO 0.78 -0.91 0.12 0.00 0.98 0.00 0.00 173.24 174.22 1swo s ALA 89 N -3.36 -0.30 -0.03 5.32 0.00 -0.58 -0.88 121.76 121.93 1swo s ALA 89 Ca 0.10 0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.25 1swo s ALA 89 Cb -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1swo s ALA 89 CO -0.00 -0.12 -0.16 0.99 0.00 0.00 0.00 175.76 176.46 1swo s THR 90 N -0.52 2.89 -0.04 0.00 2.01 0.12 -0.69 115.64 119.41 1swo s THR 90 Ca -0.06 -0.87 0.06 0.00 0.31 0.00 0.00 61.69 61.13 1swo s THR 90 Cb -0.04 -2.14 -0.01 0.00 0.01 0.00 0.00 72.50 70.32 1swo s THR 90 CO 0.01 0.53 -0.23 0.42 -0.69 0.00 0.00 174.62 174.65 1swo s THR 91 N -0.76 1.91 -0.14 -0.82 -4.23 0.15 -1.19 115.64 110.55 1swo s THR 91 Ca 0.12 -1.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.62 1swo s THR 91 Cb -0.11 -1.61 -0.02 0.00 1.34 0.00 0.00 72.50 72.11 1swo s THR 91 CO 0.01 0.54 -0.10 0.26 -0.54 0.00 0.00 174.62 174.79 1swo s TRP 92 N -0.24 2.88 -0.13 3.99 0.51 -0.12 -1.43 118.94 124.40 1swo s TRP 92 Ca -0.00 -0.58 0.03 0.00 -2.12 0.00 0.00 56.10 53.43 1swo s TRP 92 Cb -0.12 -1.90 0.01 0.00 -0.81 0.00 0.00 33.47 30.65 1swo s TRP 92 CO 0.02 -0.20 -0.22 0.45 -0.51 0.00 0.00 176.95 176.50 1swo s SER 93 N 0.45 3.05 0.00 2.95 0.15 0.11 -1.23 113.70 119.19 1swo s SER 93 Ca -0.08 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 55.99 1swo s SER 93 Cb -0.15 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 1swo s SER 93 CO 0.04 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1swo n GLY 94 N 3.99 1.36 3.19 9.45 0.00 -0.46 -0.49 105.19 122.24 1swo n GLY 94 Ca -0.20 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 1swo n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swo s GLN 95 N 1.26 0.40 0.09 1.61 -2.07 -0.96 -1.10 119.66 118.89 1swo s GLN 95 Ca 0.00 0.30 -0.22 0.00 -1.82 0.00 0.00 55.36 53.62 1swo s GLN 95 Cb 0.00 0.19 -0.07 0.00 -1.09 0.00 0.00 33.01 32.04 1swo s GLN 95 CO 0.00 -0.06 0.67 -0.47 -1.32 0.00 0.00 175.29 174.11 1swo s TYR 96 N -0.11 3.81 -0.19 9.60 5.04 0.12 -2.16 117.35 133.47 1swo s TYR 96 Ca -0.02 1.41 0.01 0.00 -2.44 0.00 0.00 57.07 56.03 1swo s TYR 96 Cb -0.03 -2.65 0.03 0.00 0.35 0.00 0.00 41.96 39.66 1swo s TYR 96 CO 0.01 0.48 -0.16 0.08 -1.34 0.00 0.00 175.55 174.62 1swo s VAL 97 N -0.82 1.92 0.41 3.14 1.01 0.88 -0.78 120.40 126.16 1swo s VAL 97 Ca 0.33 -1.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 1swo s VAL 97 Cb -0.21 -1.83 -0.08 0.00 0.00 0.00 0.00 36.38 34.26 1swo s VAL 97 CO 0.22 0.37 0.85 -0.83 0.00 0.00 0.00 175.10 175.71 1swo s GLY 98 N 1.31 2.18 0.00 4.51 0.00 -1.26 -0.98 107.32 113.08 1swo s GLY 98 Ca 0.02 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.82 1swo s GLY 98 CO -0.11 0.32 0.00 0.61 0.00 0.00 0.00 173.10 173.92 1swo n GLY 99 N -0.95 0.01 0.00 0.20 0.00 -1.26 -4.89 105.19 98.31 1swo n GLY 99 Ca 0.05 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1swo n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swo n ALA 100 N -0.39 0.00 -3.03 4.61 0.00 -1.26 -3.52 120.51 116.92 1swo n ALA 100 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 1swo n ALA 100 Cb 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 1swo n ALA 100 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1swo s GLU 101 N -0.78 3.06 0.08 0.00 2.12 -1.26 -5.02 118.70 116.91 1swo s GLU 101 Ca 0.00 -1.19 -0.34 0.00 0.36 0.00 0.00 54.97 53.80 1swo s GLU 101 Cb 0.00 -4.24 -0.13 0.00 0.26 0.00 0.00 34.13 30.02 1swo s GLU 101 CO 0.00 -1.54 1.66 0.00 -0.54 0.00 0.00 175.26 174.84 1swo n ALA 102 N 6.50 1.14 -2.49 6.30 0.00 -1.23 -4.91 120.51 125.82 1swo n ALA 102 Ca -0.08 0.40 -0.08 0.00 0.00 0.00 0.00 53.44 53.67 1swo n ALA 102 Cb 0.43 -2.38 -0.09 0.00 0.00 0.00 0.00 19.45 17.41 1swo n ALA 102 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1swo s ARG 103 N 1.82 0.64 -0.27 0.00 3.03 -0.15 -4.35 118.95 119.66 1swo s ARG 103 Ca 0.83 -0.94 -0.03 0.00 2.03 0.00 0.00 55.73 57.62 1swo s ARG 103 Cb -0.69 0.24 0.03 0.00 -1.03 0.00 0.00 34.95 33.50 1swo s ARG 103 CO 0.42 -0.16 -0.01 0.42 -1.13 0.00 0.00 175.30 174.84 1swo s ILE 104 N -3.25 3.17 -0.24 4.99 1.01 -0.58 -0.08 121.20 126.22 1swo s ILE 104 Ca 0.01 -1.04 -0.14 0.00 0.00 0.00 0.00 60.65 59.48 1swo s ILE 104 Cb 0.03 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 1swo s ILE 104 CO -0.08 0.09 0.30 0.20 0.00 0.00 0.00 174.94 175.46 1swo s ASN 105 N 1.35 6.26 0.21 3.58 0.01 -0.92 -0.87 114.94 124.57 1swo s ASN 105 Ca -0.01 0.29 0.04 0.00 -0.71 0.00 0.00 52.86 52.47 1swo s ASN 105 Cb -0.18 -2.18 -0.05 0.00 0.41 0.00 0.00 41.25 39.26 1swo s ASN 105 CO -0.02 -0.05 -0.02 0.42 -1.51 0.00 0.00 177.10 175.92 1swo s THR 106 N 1.44 1.03 0.02 1.60 -4.23 -0.01 -2.27 115.64 113.23 1swo s THR 106 Ca 0.14 -2.04 0.07 0.00 -1.18 0.00 0.00 61.69 58.68 1swo s THR 106 Cb -0.15 -2.24 -0.02 0.00 1.34 0.00 0.00 72.50 71.43 1swo s THR 106 CO 0.08 -0.41 -0.20 -1.10 -0.54 0.00 0.00 174.62 172.45 1swo s GLN 107 N -3.85 1.46 0.13 3.99 -0.21 0.36 -2.18 119.66 119.36 1swo s GLN 107 Ca 0.26 -0.86 0.05 0.00 0.02 0.00 0.00 55.36 54.83 1swo s GLN 107 Cb 0.05 -1.52 -0.04 0.00 1.00 0.00 0.00 33.01 32.50 1swo s GLN 107 CO 0.07 0.40 -0.12 1.67 -2.12 0.00 0.00 175.29 175.19 1swo s TRP 108 N -0.69 1.29 -0.09 0.91 1.48 -0.23 -0.71 118.94 120.89 1swo s TRP 108 Ca 0.07 -0.64 0.02 0.00 -1.06 0.00 0.00 56.10 54.50 1swo s TRP 108 Cb -0.08 -0.67 0.01 0.00 -1.16 0.00 0.00 33.47 31.57 1swo s TRP 108 CO 0.01 0.10 -0.15 -0.51 -4.06 0.00 0.00 176.95 172.34 1swo s LEU 109 N -2.68 1.72 -0.26 -4.66 1.43 -0.51 -1.53 118.68 112.19 1swo s LEU 109 Ca 0.11 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1swo s LEU 109 Cb -0.02 -1.03 0.04 0.00 0.03 0.00 0.00 46.19 45.20 1swo s LEU 109 CO 0.02 0.03 -0.06 -0.22 0.23 0.00 0.00 176.35 176.35 1swo s LEU 110 N 0.85 3.36 -0.16 1.79 2.96 -0.49 -0.68 118.68 126.31 1swo s LEU 110 Ca -0.10 -1.02 -0.06 0.00 -0.22 0.00 0.00 54.13 52.73 1swo s LEU 110 Cb -0.15 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1swo s LEU 110 CO 0.01 -0.16 0.03 -0.89 -1.32 0.00 0.00 176.35 174.02 1swo s THR 111 N 1.28 4.53 -0.08 3.68 2.01 0.13 -1.17 115.64 126.03 1swo s THR 111 Ca -0.02 -0.13 -0.04 0.00 0.31 0.00 0.00 61.69 61.81 1swo s THR 111 Cb -0.18 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 1swo s THR 111 CO -0.04 0.49 0.11 -0.44 -0.69 0.00 0.00 174.62 174.05 1swo s SER 112 N 0.18 6.05 0.11 3.53 0.01 0.95 -1.53 113.70 123.00 1swo s SER 112 Ca 0.03 0.34 -0.31 0.00 1.31 0.00 0.00 55.95 57.31 1swo s SER 112 Cb -0.13 -1.87 -0.09 0.00 0.21 0.00 0.00 66.02 64.14 1swo s SER 112 CO 0.01 0.36 1.54 -0.83 0.41 0.00 0.00 173.24 174.73 1swo s GLY 113 N -1.26 1.68 0.09 3.44 0.00 -0.44 -4.82 107.32 106.02 1swo s GLY 113 Ca 0.18 1.23 -0.00 0.00 0.00 0.00 0.00 44.72 46.12 1swo s GLY 113 CO 0.08 2.63 -0.02 -0.51 0.00 0.00 0.00 173.10 175.28 1swo s THR 114 N 1.67 0.36 0.80 0.90 -4.23 -1.26 -5.01 115.64 108.87 1swo s THR 114 Ca 0.69 -1.88 -0.11 0.00 -1.18 0.00 0.00 61.69 59.21 1swo s THR 114 Cb -0.40 -1.75 0.07 0.00 1.34 0.00 0.00 72.50 71.76 1swo s THR 114 CO 0.31 -0.79 1.10 0.42 -0.54 0.00 0.00 174.62 175.12 1swo s THR 115 N -3.85 3.06 -0.72 3.99 -4.23 -1.26 -4.89 115.64 107.74 1swo s THR 115 Ca 0.14 0.34 0.24 0.00 -1.18 0.00 0.00 61.69 61.23 1swo s THR 115 Cb 0.07 -3.07 0.24 0.00 1.34 0.00 0.00 72.50 71.08 1swo s THR 115 CO -0.04 -0.45 1.72 -0.62 -0.54 0.00 0.00 174.62 174.69 1swo n GLU 116 N -3.45 0.16 0.18 3.99 -0.58 -1.26 -1.53 120.64 118.15 1swo n GLU 116 Ca 0.07 0.27 0.03 0.00 -0.42 0.00 0.00 57.16 57.11 1swo n GLU 116 Cb 0.56 -1.74 0.34 0.00 -0.57 0.00 0.00 31.44 30.04 1swo n GLU 116 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1swo h ALA 117 N 2.49 1.24 -0.53 0.62 0.00 -2.06 -2.92 119.26 118.09 1swo h ALA 117 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1swo h ALA 117 Cb 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1swo h ALA 117 CO 0.00 0.50 0.00 0.09 0.00 0.00 0.00 179.25 179.84 1swo n ASN 118 N -3.92 4.01 0.10 0.00 3.02 -0.58 -4.60 115.26 113.29 1swo n ASN 118 Ca -0.01 -2.32 0.11 0.00 -0.03 0.00 0.00 54.58 52.33 1swo n ASN 118 Cb 0.45 -0.46 0.60 0.00 -0.61 0.00 0.00 39.78 39.75 1swo n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swo h ALA 119 N 3.27 2.08 0.00 5.41 0.00 -1.29 -1.47 119.26 127.26 1swo h ALA 119 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1swo h ALA 119 Cb 1.17 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1swo h ALA 119 CO 0.12 -0.15 -0.09 0.27 0.00 0.00 0.00 179.25 179.41 1swo h PHE 120 N 0.15 0.00 -0.49 0.00 -0.00 -1.83 -1.72 116.94 113.04 1swo h PHE 120 Ca 0.13 0.00 -0.19 0.00 -0.00 0.00 0.00 57.97 57.91 1swo h PHE 120 Cb 0.33 0.00 -0.11 0.00 -0.00 0.00 0.00 35.95 36.17 1swo h PHE 120 CO -0.00 0.09 0.11 0.36 -0.00 0.00 0.00 178.31 178.86 1swo n LYS 121 N -3.65 2.50 0.10 6.09 2.85 -0.55 -4.70 118.16 120.79 1swo n LYS 121 Ca -0.02 -3.06 0.12 0.00 -1.05 0.00 0.00 58.31 54.30 1swo n LYS 121 Cb 0.20 -1.94 0.04 0.00 -0.65 0.00 0.00 35.03 32.68 1swo n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1swo h SER 122 N 1.49 0.00 -3.12 -5.58 4.64 -1.34 -3.46 113.55 106.18 1swo h SER 122 Ca 0.23 -0.05 -0.63 0.00 -0.47 0.00 0.00 61.79 60.87 1swo h SER 122 Cb 1.89 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.63 1swo h SER 122 CO 0.51 0.02 -0.84 -0.89 -0.87 0.00 0.00 176.83 174.76 1swo s THR 123 N -3.32 1.80 0.30 2.95 2.01 -1.26 -0.03 115.64 118.09 1swo s THR 123 Ca 0.01 -0.80 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 1swo s THR 123 Cb 0.10 -1.67 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 1swo s THR 123 CO 0.77 0.47 0.57 -0.76 -0.69 0.00 0.00 174.62 174.99 1swo s LEU 124 N 1.39 4.04 0.01 4.42 1.43 -0.31 -4.92 118.68 124.74 1swo s LEU 124 Ca 0.04 0.76 0.05 0.00 -1.03 0.00 0.00 54.13 53.96 1swo s LEU 124 Cb -0.13 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 1swo s LEU 124 CO -0.12 -0.21 -0.14 0.54 0.23 0.00 0.00 176.35 176.65 1swo s VAL 125 N -2.10 1.14 0.00 -1.59 0.11 -1.26 -1.39 120.40 115.31 1swo s VAL 125 Ca 0.45 -0.77 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 1swo s VAL 125 Cb -0.11 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 1swo s VAL 125 CO 0.30 0.20 0.00 0.61 -3.33 0.00 0.00 175.10 172.88 1swo n GLY 126 N 2.40 2.10 3.25 6.54 0.00 -0.58 -4.99 105.19 113.91 1swo n GLY 126 Ca -0.16 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 1swo n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swo s HIS 127 N -7.17 -0.14 -0.01 1.61 -3.43 -1.26 -1.07 115.29 103.82 1swo s HIS 127 Ca 0.00 0.10 -0.06 0.00 -0.80 0.00 0.00 55.06 54.30 1swo s HIS 127 Cb 0.00 0.10 0.00 0.00 -1.43 0.00 0.00 32.58 31.25 1swo s HIS 127 CO 0.00 -0.46 0.11 -0.51 -2.00 0.00 0.00 174.74 171.88 1swo s ASP 128 N -1.76 0.02 -0.09 7.38 1.01 -0.93 -4.96 116.67 117.34 1swo s ASP 128 Ca -0.08 -0.15 0.03 0.00 0.71 0.00 0.00 52.55 53.06 1swo s ASP 128 Cb -0.03 0.20 0.01 0.00 1.01 0.00 0.00 42.92 44.12 1swo s ASP 128 CO -0.00 -0.29 -0.18 -0.89 0.21 0.00 0.00 175.17 174.01 1swo s THR 129 N -1.08 1.63 -0.04 -1.27 2.01 -1.26 -0.83 115.64 114.81 1swo s THR 129 Ca -0.12 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.13 1swo s THR 129 Cb -0.07 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.97 1swo s THR 129 CO 0.01 0.47 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.01 1swo s PHE 130 N 0.54 3.01 0.05 4.92 0.40 -0.05 -3.41 117.98 123.45 1swo s PHE 130 Ca -0.16 0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 1swo s PHE 130 Cb -0.17 -1.69 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 1swo s PHE 130 CO 0.06 0.40 -0.04 0.95 0.70 0.00 0.00 175.22 177.29 1swo s THR 131 N -0.94 0.33 -1.04 0.64 -4.23 -0.21 -1.53 115.64 108.65 1swo s THR 131 Ca 0.16 -1.59 0.27 0.00 -1.18 0.00 0.00 61.69 59.34 1swo s THR 131 Cb -0.11 -1.22 0.25 0.00 1.34 0.00 0.00 72.50 72.75 1swo s THR 131 CO 0.05 -0.82 1.87 0.29 -0.54 0.00 0.00 174.62 175.48 1swo n LYS 132 N 0.50 0.04 0.00 3.99 5.02 -1.26 -0.83 118.16 125.61 1swo n LYS 132 Ca -0.16 0.04 0.12 0.00 -2.02 0.00 0.00 58.31 56.28 1swo n LYS 132 Cb 0.59 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 34.26 1swo n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16