#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swk h ILE 17 N 0.00 1.47 -3.53 -0.61 2.04 -1.97 -3.46 117.51 111.44 1swk h ILE 17 Ca 0.00 -3.13 -0.56 0.00 1.00 0.00 0.00 64.86 62.17 1swk h ILE 17 Cb 0.00 2.83 0.12 0.00 -0.74 0.00 0.00 36.82 39.03 1swk h ILE 17 CO 0.00 0.88 0.54 0.41 0.00 0.00 0.00 178.15 179.98 1swk n THR 18 N -3.40 2.30 0.00 -0.27 -1.04 -1.26 -4.79 114.28 105.81 1swk n THR 18 Ca -0.07 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.44 1swk n THR 18 Cb 1.00 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 1swk n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swk n GLY 19 N 0.74 0.90 3.34 3.41 0.00 0.16 -4.98 105.19 108.76 1swk n GLY 19 Ca 0.05 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 1swk n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swk s THR 20 N -1.78 3.55 0.16 2.61 2.01 -1.26 -0.13 115.64 120.79 1swk s THR 20 Ca 0.00 -0.43 0.10 0.00 0.31 0.00 0.00 61.69 61.67 1swk s THR 20 Cb 0.00 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 1swk s THR 20 CO 0.00 0.41 -0.18 0.26 -0.69 0.00 0.00 174.62 174.42 1swk s TRP 21 N 1.48 2.49 0.05 4.92 0.52 0.16 -4.56 118.94 123.99 1swk s TRP 21 Ca 0.06 -0.28 0.08 0.00 0.02 0.00 0.00 56.10 55.97 1swk s TRP 21 Cb -0.14 -1.27 -0.03 0.00 -1.15 0.00 0.00 33.47 30.88 1swk s TRP 21 CO -0.02 0.45 -0.23 0.71 0.02 0.00 0.00 176.95 177.88 1swk s TYR 22 N -1.45 2.03 0.48 -1.98 1.51 0.91 -1.35 117.35 117.50 1swk s TYR 22 Ca 0.20 -0.39 0.07 0.00 -1.01 0.00 0.00 57.07 55.94 1swk s TYR 22 Cb -0.09 -1.21 0.01 0.00 -0.11 0.00 0.00 41.96 40.56 1swk s TYR 22 CO 0.11 0.11 0.38 0.54 -1.11 0.00 0.00 175.55 175.59 1swk s ASN 23 N -1.24 4.78 0.64 2.29 2.20 -0.94 -0.27 114.94 122.41 1swk s ASN 23 Ca 0.09 -1.02 0.25 0.00 -0.94 0.00 0.00 52.86 51.25 1swk s ASN 23 Cb -0.09 -0.08 1.36 0.00 -2.00 0.00 0.00 41.25 40.44 1swk s ASN 23 CO 0.02 -0.87 1.76 0.06 -2.94 0.00 0.00 177.10 175.12 1swk h GLN 24 N 0.91 0.00 0.00 3.55 -0.00 -1.90 0.65 115.11 118.32 1swk h GLN 24 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.26 1swk h GLN 24 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 1swk h GLN 24 CO 0.58 0.00 -0.97 1.28 -0.00 0.00 0.00 178.83 179.72 1swk n LEU 25 N -2.77 0.63 0.00 0.06 4.77 -1.26 -4.95 117.00 113.48 1swk n LEU 25 Ca -0.02 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1swk n LEU 25 Cb 0.45 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1swk n LEU 25 CO 0.11 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 1swk n GLY 26 N 1.39 0.89 3.81 -0.72 0.00 0.22 -4.82 105.19 105.96 1swk n GLY 26 Ca 0.02 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1swk n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swk s SER 27 N -2.05 6.26 -0.08 1.61 0.01 -1.26 -4.48 113.70 113.71 1swk s SER 27 Ca 0.00 1.76 0.05 0.00 1.31 0.00 0.00 55.95 59.07 1swk s SER 27 Cb 0.00 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 1swk s SER 27 CO 0.00 -0.83 -0.23 -0.89 0.41 0.00 0.00 173.24 171.69 1swk s THR 28 N -2.37 2.16 -0.26 1.44 2.01 0.12 -2.20 115.64 116.54 1swk s THR 28 Ca 0.63 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.62 1swk s THR 28 Cb -0.14 -1.81 0.08 0.00 0.01 0.00 0.00 72.50 70.64 1swk s THR 28 CO 0.29 0.56 0.01 0.12 -0.69 0.00 0.00 174.62 174.91 1swk s PHE 29 N 0.06 2.26 -0.32 4.92 5.36 -0.46 0.73 117.98 130.53 1swk s PHE 29 Ca -0.10 -1.82 -0.09 0.00 -0.96 0.00 0.00 56.93 53.96 1swk s PHE 29 Cb -0.16 -1.74 0.01 0.00 -0.34 0.00 0.00 43.02 40.80 1swk s PHE 29 CO 0.06 -0.81 0.13 0.42 -1.46 0.00 0.00 175.22 173.57 1swk s ILE 30 N 1.43 4.27 0.06 3.12 1.01 -0.03 0.37 121.20 131.43 1swk s ILE 30 Ca 0.01 -0.70 0.09 0.00 0.00 0.00 0.00 60.65 60.05 1swk s ILE 30 Cb -0.18 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 1swk s ILE 30 CO -0.11 -0.02 -0.24 -0.69 0.00 0.00 0.00 174.94 173.87 1swk s VAL 31 N 1.54 1.97 -0.07 2.92 1.01 0.81 -1.21 120.40 127.37 1swk s VAL 31 Ca 0.03 -1.37 0.04 0.00 0.00 0.00 0.00 61.98 60.68 1swk s VAL 31 Cb -0.18 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 1swk s VAL 31 CO 0.05 0.26 -0.20 -0.89 0.00 0.00 0.00 175.10 174.32 1swk s THR 32 N -0.85 1.71 -0.31 3.92 2.01 0.53 0.38 115.64 123.04 1swk s THR 32 Ca 0.10 -0.85 -0.16 0.00 0.31 0.00 0.00 61.69 61.10 1swk s THR 32 Cb -0.10 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 1swk s THR 32 CO 0.02 0.48 0.41 0.00 -0.69 0.00 0.00 174.62 174.85 1swk s ALA 33 N 0.20 3.52 0.38 7.40 0.00 -1.26 -1.86 121.76 130.13 1swk s ALA 33 Ca -0.10 -0.99 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 1swk s ALA 33 Cb -0.15 -2.83 -0.07 0.00 0.00 0.00 0.00 23.12 20.07 1swk s ALA 33 CO 0.05 -0.94 0.76 0.20 0.00 0.00 0.00 175.76 175.82 1swk s GLY 34 N 1.70 2.06 0.37 0.00 0.00 0.17 -4.92 107.32 106.70 1swk s GLY 34 Ca 0.15 -0.14 0.05 0.00 0.00 0.00 0.00 44.72 44.79 1swk s GLY 34 CO 0.11 0.06 1.96 0.00 0.00 0.00 0.00 173.10 175.23 1swk h ALA 35 N 1.56 1.52 -0.96 3.20 0.00 -1.98 -1.22 119.26 121.38 1swk h ALA 35 Ca -0.47 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.43 1swk h ALA 35 Cb 1.18 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 1swk h ALA 35 CO 0.64 0.37 0.61 0.38 0.00 0.00 0.00 179.25 181.25 1swk h ASP 36 N 0.55 0.85 0.00 0.00 2.03 -2.00 -3.46 116.42 114.38 1swk h ASP 36 Ca 0.13 0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.47 1swk h ASP 36 Cb 0.14 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.51 1swk h ASP 36 CO -0.01 0.46 0.00 0.61 -1.03 0.00 0.00 179.24 179.26 1swk n GLY 37 N -1.38 1.84 3.85 7.15 0.00 -0.46 -4.83 105.19 111.36 1swk n GLY 37 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1swk n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swk s ALA 38 N -1.84 3.40 -0.17 4.61 0.00 -1.20 -2.02 121.76 124.54 1swk s ALA 38 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.93 1swk s ALA 38 Cb 0.00 -2.67 0.02 0.00 0.00 0.00 0.00 23.12 20.47 1swk s ALA 38 CO 0.00 0.38 -0.18 -0.51 0.00 0.00 0.00 175.76 175.46 1swk s LEU 39 N -2.86 2.06 0.01 0.00 1.02 0.89 0.45 118.68 120.25 1swk s LEU 39 Ca 0.51 -0.64 0.02 0.00 0.02 0.00 0.00 54.13 54.04 1swk s LEU 39 Cb -0.11 -1.39 -0.01 0.00 0.02 0.00 0.00 46.19 44.71 1swk s LEU 39 CO 0.19 -0.03 -0.07 -0.89 0.02 0.00 0.00 176.35 175.57 1swk s THR 40 N 1.34 0.55 -2.49 5.49 2.01 -0.78 0.08 115.64 121.84 1swk s THR 40 Ca 0.04 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.59 1swk s THR 40 Cb -0.13 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 71.88 1swk s THR 40 CO -0.12 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.46 1swk n GLY 41 N 2.61 -0.57 3.11 4.40 0.00 -1.15 -0.34 105.19 113.24 1swk n GLY 41 Ca -0.15 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 1swk n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swk s THR 42 N -3.32 0.49 -0.02 2.61 -4.23 -0.35 -1.85 115.64 108.96 1swk s THR 42 Ca 0.00 -1.60 0.04 0.00 -1.18 0.00 0.00 61.69 58.95 1swk s THR 42 Cb 0.00 -1.24 -0.00 0.00 1.34 0.00 0.00 72.50 72.59 1swk s THR 42 CO 0.00 -0.75 -0.12 -0.47 -0.54 0.00 0.00 174.62 172.74 1swk s TYR 43 N -2.94 1.18 -0.10 3.99 6.14 0.85 -0.85 117.35 125.63 1swk s TYR 43 Ca 0.03 -0.27 0.00 0.00 0.64 0.00 0.00 57.07 57.47 1swk s TYR 43 Cb 0.01 -0.79 0.02 0.00 0.42 0.00 0.00 41.96 41.62 1swk s TYR 43 CO -0.04 -0.07 -0.09 -2.00 0.64 0.00 0.00 175.55 173.99 1swk s GLU 44 N -0.08 1.57 -0.30 4.97 2.12 0.22 -0.91 118.70 126.31 1swk s GLU 44 Ca 0.01 -0.30 -0.11 0.00 0.36 0.00 0.00 54.97 54.93 1swk s GLU 44 Cb -0.07 -1.52 -0.04 0.00 0.26 0.00 0.00 34.13 32.76 1swk s GLU 44 CO 0.00 -0.17 0.19 0.45 -0.54 0.00 0.00 175.26 175.19 1swk s SER 45 N 1.36 5.89 0.59 -1.70 0.15 -1.26 0.16 113.70 118.88 1swk s SER 45 Ca -0.01 -0.19 0.29 0.00 0.70 0.00 0.00 55.95 56.74 1swk s SER 45 Cb -0.14 -2.09 1.68 0.00 -1.71 0.00 0.00 66.02 63.77 1swk s SER 45 CO -0.04 -0.11 2.12 0.00 1.20 0.00 0.00 173.24 176.41 1swk h ALA 46 N 8.38 1.76 -2.29 5.45 0.00 -1.88 -3.43 119.26 127.26 1swk h ALA 46 Ca -0.34 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.26 1swk h ALA 46 Cb 1.18 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 1swk h ALA 46 CO 0.58 -0.25 -0.65 0.14 0.00 0.00 0.00 179.25 179.07 1swk s VAL 47 N -4.63 0.67 0.00 0.00 -7.23 -1.26 -5.03 120.40 102.91 1swk s VAL 47 Ca -0.05 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 1swk s VAL 47 Cb 0.15 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.86 1swk s VAL 47 CO 0.55 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.57 1swk n GLY 48 N -0.29 -2.66 2.90 2.32 0.00 -1.26 -4.48 105.19 101.72 1swk n GLY 48 Ca -0.05 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 1swk n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1swk n ASN 49 N -0.08 4.11 -3.86 1.61 2.85 -1.26 -4.84 115.26 113.79 1swk n ASN 49 Ca 0.00 -2.86 -0.11 0.00 -0.11 0.00 0.00 54.58 51.50 1swk n ASN 49 Cb 0.00 -1.67 -0.09 0.00 1.24 0.00 0.00 39.78 39.26 1swk n ASN 49 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1swk s ALA 50 N 3.33 -0.33 -0.27 5.20 0.00 -1.26 -4.55 121.76 123.88 1swk s ALA 50 Ca 0.48 -0.21 -0.25 0.00 0.00 0.00 0.00 51.96 51.97 1swk s ALA 50 Cb 0.12 0.19 0.09 0.00 0.00 0.00 0.00 23.12 23.51 1swk s ALA 50 CO -0.05 -0.28 0.83 -1.83 0.00 0.00 0.00 175.76 174.42 1swk s GLU 51 N -1.96 0.73 1.94 0.00 -1.05 -1.26 -4.95 118.70 112.15 1swk s GLU 51 Ca -0.10 0.83 0.00 0.00 -0.15 0.00 0.00 54.97 55.55 1swk s GLU 51 Cb -0.04 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 1swk s GLU 51 CO -0.01 -0.09 0.00 0.45 0.95 0.00 0.00 175.26 176.56 1swk n SER 52 N 2.45 -4.26 -4.86 0.83 2.88 -1.26 -4.84 113.62 104.56 1swk n SER 52 Ca -0.14 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.09 1swk n SER 52 Cb 0.55 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.96 1swk n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1swk s ARG 53 N 0.00 3.92 -0.02 -1.46 0.52 -1.26 -4.46 118.95 116.19 1swk s ARG 53 Ca 0.00 0.56 0.03 0.00 -0.52 0.00 0.00 55.73 55.79 1swk s ARG 53 Cb 0.00 -2.46 0.00 0.00 0.52 0.00 0.00 34.95 33.01 1swk s ARG 53 CO 0.00 0.15 -0.09 0.71 0.02 0.00 0.00 175.30 176.08 1swk s TYR 54 N -2.03 0.93 0.29 -0.53 2.02 -0.08 -4.91 117.35 113.04 1swk s TYR 54 Ca 0.52 -0.22 -0.29 0.00 -0.37 0.00 0.00 57.07 56.71 1swk s TYR 54 Cb -0.10 -0.65 -0.10 0.00 -0.40 0.00 0.00 41.96 40.71 1swk s TYR 54 CO 0.21 -0.08 1.20 0.08 -1.57 0.00 0.00 175.55 175.39 1swk s VAL 55 N 0.09 3.18 0.26 0.71 1.01 -1.26 -0.10 120.40 124.29 1swk s VAL 55 Ca -0.01 1.16 0.08 0.00 0.00 0.00 0.00 61.98 63.21 1swk s VAL 55 Cb -0.07 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 1swk s VAL 55 CO 0.00 0.26 -0.12 -1.48 0.00 0.00 0.00 175.10 173.77 1swk s LEU 56 N -1.40 2.56 0.02 3.92 0.05 -0.77 -4.34 118.68 118.71 1swk s LEU 56 Ca 0.47 -1.11 -0.21 0.00 0.05 0.00 0.00 54.13 53.34 1swk s LEU 56 Cb -0.35 -0.79 0.05 0.00 -2.05 0.00 0.00 46.19 43.04 1swk s LEU 56 CO 0.45 -0.19 0.48 0.28 -0.55 0.00 0.00 176.35 176.82 1swk s THR 57 N -2.85 0.04 0.01 5.48 -1.32 -0.98 -2.96 115.64 113.07 1swk s THR 57 Ca 0.28 -0.31 -0.03 0.00 -1.21 0.00 0.00 61.69 60.42 1swk s THR 57 Cb 0.00 -0.91 0.01 0.00 -1.51 0.00 0.00 72.50 70.09 1swk s THR 57 CO 0.12 -0.17 0.13 0.61 -2.21 0.00 0.00 174.62 173.09 1swk n GLY 58 N 0.67 0.94 3.19 6.08 0.00 0.11 -1.12 105.19 115.05 1swk n GLY 58 Ca -0.19 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 1swk n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swk s ARG 59 N -2.00 0.88 0.01 1.61 1.81 -0.97 -0.07 118.95 120.21 1swk s ARG 59 Ca 0.03 -1.21 -0.09 0.00 -1.72 0.00 0.00 55.73 52.74 1swk s ARG 59 Cb -0.00 -0.53 0.01 0.00 -0.45 0.00 0.00 34.95 33.97 1swk s ARG 59 CO 0.00 0.08 0.18 1.52 -0.68 0.00 0.00 175.30 176.40 1swk s TYR 60 N -2.64 0.01 -0.62 -0.53 1.13 -0.85 -1.86 117.35 111.99 1swk s TYR 60 Ca 0.07 -0.10 -0.26 0.00 -1.41 0.00 0.00 57.07 55.37 1swk s TYR 60 Cb -0.02 -0.02 -0.03 0.00 -1.10 0.00 0.00 41.96 40.80 1swk s TYR 60 CO -0.00 -0.34 1.92 0.34 -2.51 0.00 0.00 175.55 174.96 1swk s ASP 61 N -1.55 5.18 0.00 -0.18 2.15 -0.34 -4.73 116.67 117.20 1swk s ASP 61 Ca -0.12 0.35 0.11 0.00 0.43 0.00 0.00 52.55 53.31 1swk s ASP 61 Cb -0.06 -2.53 0.63 0.00 -0.30 0.00 0.00 42.92 40.67 1swk s ASP 61 CO 0.01 -2.46 1.21 -1.54 -0.17 0.00 0.00 175.17 172.22 1swk n SER 62 N 13.15 0.00 -3.07 -0.34 3.41 -1.26 -3.72 113.62 121.79 1swk n SER 62 Ca 0.23 -1.17 -0.16 0.00 -0.26 0.00 0.00 58.87 57.52 1swk n SER 62 Cb 0.52 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.46 1swk n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swk n ALA 63 N -0.72 1.79 -1.22 7.33 0.00 -1.26 -5.05 120.51 121.38 1swk n ALA 63 Ca 0.08 -3.10 -0.31 0.00 0.00 0.00 0.00 53.44 50.11 1swk n ALA 63 Cb 0.04 -0.96 0.11 0.00 0.00 0.00 0.00 19.45 18.63 1swk n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swk s PRO 64 N -2.13 1.98 1.03 0.00 0.04 -1.24 -4.98 135.00 129.70 1swk s PRO 64 Ca 0.36 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.39 1swk s PRO 64 Cb 0.35 -1.87 0.21 0.00 0.04 0.00 0.00 34.50 33.23 1swk s PRO 64 CO -0.06 -1.82 1.09 0.00 0.04 0.00 0.00 177.00 176.24 1swk s ALA 65 N -2.90 0.56 -0.52 8.56 0.00 -1.26 -4.96 121.76 121.24 1swk s ALA 65 Ca 0.62 0.21 0.07 0.00 0.00 0.00 0.00 51.96 52.86 1swk s ALA 65 Cb -0.18 -3.34 0.34 0.00 0.00 0.00 0.00 23.12 19.94 1swk s ALA 65 CO 0.56 -3.24 0.86 0.25 0.00 0.00 0.00 175.76 174.19 1swk n THR 66 N -4.53 2.01 -0.37 0.00 -2.24 -1.26 -4.67 114.28 103.21 1swk n THR 66 Ca 0.07 -5.24 0.00 0.00 -2.27 0.00 0.00 64.05 56.61 1swk n THR 66 Cb 0.53 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 1swk n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swk n ASP 67 N 0.01 0.88 0.00 3.42 5.68 -1.26 -4.99 116.55 120.29 1swk n ASP 67 Ca 0.29 -1.24 0.00 0.00 -0.50 0.00 0.00 54.79 53.33 1swk n ASP 67 Cb 0.47 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1swk n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swk n GLY 68 N -0.12 0.91 3.76 6.12 0.00 -1.26 -5.10 105.19 109.50 1swk n GLY 68 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1swk n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swk s SER 69 N -1.84 5.35 1.05 1.61 0.01 -1.26 -5.04 113.70 113.58 1swk s SER 69 Ca 0.00 2.33 -0.18 0.00 1.31 0.00 0.00 55.95 59.42 1swk s SER 69 Cb 0.00 -2.59 0.25 0.00 0.21 0.00 0.00 66.02 63.88 1swk s SER 69 CO 0.00 -1.48 1.31 0.61 0.41 0.00 0.00 173.24 174.09 1swk n GLY 70 N 0.41 -1.76 3.53 3.44 0.00 -1.26 -4.85 105.19 104.71 1swk n GLY 70 Ca 0.13 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 1swk n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swk s THR 71 N -3.78 5.24 0.32 2.61 2.01 -0.84 -4.76 115.64 116.44 1swk s THR 71 Ca 0.76 -0.13 -0.29 0.00 0.31 0.00 0.00 61.69 62.34 1swk s THR 71 Cb -0.03 -3.77 -0.10 0.00 0.01 0.00 0.00 72.50 68.61 1swk s THR 71 CO 0.54 -0.06 1.23 0.00 -0.69 0.00 0.00 174.62 175.64 1swk s ALA 72 N 1.84 3.45 0.29 7.40 0.00 -1.26 -1.96 121.76 131.52 1swk s ALA 72 Ca 0.08 1.12 -0.09 0.00 0.00 0.00 0.00 51.96 53.08 1swk s ALA 72 Cb -0.17 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1swk s ALA 72 CO 0.11 -0.47 0.48 -0.48 0.00 0.00 0.00 175.76 175.40 1swk s LEU 73 N -1.70 0.58 0.08 0.00 0.05 -0.03 -1.20 118.68 116.47 1swk s LEU 73 Ca 0.48 -1.17 -0.26 0.00 0.05 0.00 0.00 54.13 53.23 1swk s LEU 73 Cb -0.37 1.68 0.08 0.00 -2.05 0.00 0.00 46.19 45.53 1swk s LEU 73 CO 0.48 -1.23 0.79 -0.83 -0.55 0.00 0.00 176.35 175.02 1swk s GLY 74 N -3.11 -0.47 0.15 -3.48 0.00 -0.77 -1.41 107.32 98.23 1swk s GLY 74 Ca 0.26 0.66 -0.21 0.00 0.00 0.00 0.00 44.72 45.42 1swk s GLY 74 CO 0.13 0.21 0.55 0.66 0.00 0.00 0.00 173.10 174.66 1swk s TRP 75 N -3.39 -0.46 0.16 1.90 -2.14 -0.66 -2.29 118.94 112.06 1swk s TRP 75 Ca 0.05 0.23 0.11 0.00 2.66 0.00 0.00 56.10 59.15 1swk s TRP 75 Cb -0.01 0.48 -0.04 0.00 -3.10 0.00 0.00 33.47 30.79 1swk s TRP 75 CO -0.08 -0.81 -0.25 0.99 -2.66 0.00 0.00 176.95 174.14 1swk s THR 76 N -3.72 2.34 -0.12 0.66 2.01 -0.28 -1.34 115.64 115.20 1swk s THR 76 Ca 0.01 -1.88 -0.03 0.00 0.31 0.00 0.00 61.69 60.11 1swk s THR 76 Cb -0.00 -2.08 0.04 0.00 0.01 0.00 0.00 72.50 70.47 1swk s THR 76 CO -0.12 -0.01 0.04 -0.69 -0.69 0.00 0.00 174.62 173.14 1swk s VAL 77 N -1.36 0.23 -0.20 3.82 1.01 -0.61 -2.30 120.40 120.98 1swk s VAL 77 Ca 0.18 -0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.93 1swk s VAL 77 Cb -0.09 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1swk s VAL 77 CO 0.08 0.02 0.50 0.00 0.00 0.00 0.00 175.10 175.70 1swk s ALA 78 N 2.01 3.55 -1.55 5.51 0.00 -1.26 -1.47 121.76 128.55 1swk s ALA 78 Ca 0.03 -0.43 -0.10 0.00 0.00 0.00 0.00 51.96 51.46 1swk s ALA 78 Cb -0.14 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1swk s ALA 78 CO -0.06 -0.43 2.78 1.19 0.00 0.00 0.00 175.76 179.23 1swk n PHE 79 N 4.77 2.56 -4.68 0.00 3.72 -0.41 -4.79 117.46 118.63 1swk n PHE 79 Ca -0.05 -3.03 -0.26 0.00 -0.05 0.00 0.00 57.45 54.06 1swk n PHE 79 Cb 0.50 -2.38 -0.17 0.00 -0.94 0.00 0.00 39.48 36.50 1swk n PHE 79 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1swk s LYS 80 N 1.64 1.89 0.00 -1.08 2.20 -1.26 -1.25 119.74 121.89 1swk s LYS 80 Ca 0.64 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 1swk s LYS 80 Cb 0.18 -1.53 0.00 0.00 -1.51 0.00 0.00 37.83 34.96 1swk s LYS 80 CO -0.07 0.06 0.00 0.27 -0.36 0.00 0.00 175.35 175.25 1swk n ASN 81 N 3.74 0.00 0.16 1.43 0.23 0.49 -4.83 115.26 116.48 1swk n ASN 81 Ca -0.22 -0.75 0.04 0.00 -0.53 0.00 0.00 54.58 53.12 1swk n ASN 81 Cb 0.52 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.68 1swk n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1swk h ASN 82 N 0.00 0.14 0.17 0.53 -0.26 -1.96 -3.15 115.58 111.05 1swk h ASN 82 Ca 0.00 -0.02 -0.36 0.00 -0.56 0.00 0.00 56.30 55.36 1swk h ASN 82 Cb 0.00 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1swk h ASN 82 CO 0.00 0.27 -1.88 1.88 -1.06 0.00 0.00 177.43 176.64 1swk h TYR 83 N 0.15 0.57 -3.47 1.19 0.05 -1.95 -3.49 116.97 110.01 1swk h TYR 83 Ca 0.03 -0.42 -0.09 0.00 0.05 0.00 0.00 58.73 58.30 1swk h TYR 83 Cb 0.28 -0.02 -0.16 0.00 1.01 0.00 0.00 36.73 37.84 1swk h TYR 83 CO 0.00 1.71 -0.29 1.03 -1.05 0.00 0.00 178.16 179.56 1swk s ARG 84 N -2.57 0.81 -0.10 4.88 0.52 -1.19 -5.09 118.95 116.21 1swk s ARG 84 Ca -0.19 -0.64 -0.03 0.00 -0.52 0.00 0.00 55.73 54.36 1swk s ARG 84 Cb 0.06 0.34 0.04 0.00 0.52 0.00 0.00 34.95 35.91 1swk s ARG 84 CO 0.81 -0.26 0.06 1.21 0.02 0.00 0.00 175.30 177.14 1swk s ASN 85 N -2.27 1.69 0.00 0.23 2.47 -1.26 0.18 114.94 115.98 1swk s ASN 85 Ca -0.03 -0.22 0.24 0.00 0.42 0.00 0.00 52.86 53.28 1swk s ASN 85 Cb 0.00 -0.23 0.38 0.00 -1.45 0.00 0.00 41.25 39.96 1swk s ASN 85 CO -0.06 -0.28 1.33 0.00 -3.72 0.00 0.00 177.10 174.37 1swk n ALA 86 N 5.26 3.41 -3.72 1.71 0.00 -0.38 -4.95 120.51 121.85 1swk n ALA 86 Ca -0.05 -0.50 -0.23 0.00 0.00 0.00 0.00 53.44 52.65 1swk n ALA 86 Cb 0.50 -0.98 0.04 0.00 0.00 0.00 0.00 19.45 19.01 1swk n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swk n HIS 87 N -0.53 -2.11 -3.91 0.00 -0.00 -1.26 -4.83 115.22 102.57 1swk n HIS 87 Ca 0.10 0.88 -0.09 0.00 -0.00 0.00 0.00 57.72 58.61 1swk n HIS 87 Cb 0.39 -4.40 -0.09 0.00 -0.00 0.00 0.00 29.99 25.89 1swk n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1swk s SER 88 N -4.01 0.16 0.00 0.41 1.04 -1.26 -1.37 113.70 108.67 1swk s SER 88 Ca 0.22 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 56.14 1swk s SER 88 Cb -0.11 0.25 -0.01 0.00 0.10 0.00 0.00 66.02 66.25 1swk s SER 88 CO 0.80 -0.54 -0.07 0.00 0.98 0.00 0.00 173.24 174.41 1swk s ALA 89 N -2.75 0.60 -0.03 5.32 0.00 0.12 -1.29 121.76 123.74 1swk s ALA 89 Ca -0.04 -0.36 0.06 0.00 0.00 0.00 0.00 51.96 51.62 1swk s ALA 89 Cb -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 1swk s ALA 89 CO -0.05 0.13 -0.23 0.99 0.00 0.00 0.00 175.76 176.60 1swk s THR 90 N -0.30 1.83 -0.04 0.00 2.01 -0.54 0.31 115.64 118.91 1swk s THR 90 Ca 0.02 -0.97 0.06 0.00 0.31 0.00 0.00 61.69 61.11 1swk s THR 90 Cb -0.04 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.92 1swk s THR 90 CO -0.00 0.52 -0.23 0.42 -0.69 0.00 0.00 174.62 174.64 1swk s THR 91 N -0.36 2.30 -0.16 -0.82 -4.23 0.59 -1.58 115.64 111.40 1swk s THR 91 Ca 0.04 -1.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.52 1swk s THR 91 Cb -0.11 -1.84 -0.02 0.00 1.34 0.00 0.00 72.50 71.87 1swk s THR 91 CO 0.01 0.58 -0.06 0.26 -0.54 0.00 0.00 174.62 174.86 1swk s TRP 92 N -0.45 2.96 -0.05 3.99 0.51 -0.45 -0.97 118.94 124.48 1swk s TRP 92 Ca 0.05 -0.47 0.04 0.00 -2.12 0.00 0.00 56.10 53.60 1swk s TRP 92 Cb -0.12 -1.95 -0.00 0.00 -0.81 0.00 0.00 33.47 30.60 1swk s TRP 92 CO 0.01 -0.15 -0.17 0.45 -0.51 0.00 0.00 176.95 176.58 1swk s SER 93 N 0.50 2.20 0.00 2.95 0.15 -0.03 -1.66 113.70 117.82 1swk s SER 93 Ca -0.05 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1swk s SER 93 Cb -0.15 -0.67 0.00 0.00 -1.71 0.00 0.00 66.02 63.49 1swk s SER 93 CO 0.03 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1swk n GLY 94 N 3.22 -0.76 3.34 9.45 0.00 -0.50 -1.45 105.19 118.49 1swk n GLY 94 Ca -0.19 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 1swk n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swk s GLN 95 N -0.71 0.70 -0.23 1.61 -2.07 0.19 -0.85 119.66 118.30 1swk s GLN 95 Ca 0.00 0.18 -0.29 0.00 -1.82 0.00 0.00 55.36 53.44 1swk s GLN 95 Cb 0.00 0.33 0.01 0.00 -1.09 0.00 0.00 33.01 32.25 1swk s GLN 95 CO 0.00 -0.17 1.02 -0.47 -1.32 0.00 0.00 175.29 174.35 1swk s TYR 96 N -0.77 3.34 -0.36 9.60 5.04 -0.83 -1.34 117.35 132.04 1swk s TYR 96 Ca -0.08 1.44 -0.03 0.00 -2.44 0.00 0.00 57.07 55.95 1swk s TYR 96 Cb -0.03 -3.25 0.07 0.00 0.35 0.00 0.00 41.96 39.10 1swk s TYR 96 CO 0.04 -0.47 0.11 0.08 -1.34 0.00 0.00 175.55 173.97 1swk s VAL 97 N 3.16 3.33 0.73 3.14 1.01 0.49 -1.98 120.40 130.28 1swk s VAL 97 Ca 0.43 -1.60 -0.08 0.00 0.00 0.00 0.00 61.98 60.73 1swk s VAL 97 Cb -0.15 -3.06 0.06 0.00 0.00 0.00 0.00 36.38 33.24 1swk s VAL 97 CO 0.06 -0.37 1.05 -0.83 0.00 0.00 0.00 175.10 175.02 1swk s GLY 98 N 1.56 1.66 0.00 4.51 0.00 -1.26 0.12 107.32 113.90 1swk s GLY 98 Ca 0.01 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.88 1swk s GLY 98 CO -0.01 -0.43 0.00 0.61 0.00 0.00 0.00 173.10 173.27 1swk n GLY 99 N -3.01 0.38 0.00 0.20 0.00 -1.26 -4.82 105.19 96.67 1swk n GLY 99 Ca 0.08 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1swk n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swk n ALA 100 N -1.00 -0.29 -3.21 4.61 0.00 -1.26 -3.69 120.51 115.67 1swk n ALA 100 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 1swk n ALA 100 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 1swk n ALA 100 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1swk s GLU 101 N -2.83 3.46 0.05 0.00 -6.30 -1.26 -5.03 118.70 106.79 1swk s GLU 101 Ca 0.00 -2.08 -0.35 0.00 -2.50 0.00 0.00 54.97 50.03 1swk s GLU 101 Cb 0.00 -4.49 -0.14 0.00 0.00 0.00 0.00 34.13 29.49 1swk s GLU 101 CO 0.00 -1.43 1.60 0.00 0.02 0.00 0.00 175.26 175.45 1swk n ALA 102 N 4.96 0.57 -2.74 6.30 0.00 -1.24 -4.85 120.51 123.52 1swk n ALA 102 Ca 0.10 0.42 -0.17 0.00 0.00 0.00 0.00 53.44 53.79 1swk n ALA 102 Cb 0.46 -2.31 -0.13 0.00 0.00 0.00 0.00 19.45 17.48 1swk n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1swk s ARG 103 N 1.71 0.72 -0.28 0.00 0.52 0.12 -4.12 118.95 117.60 1swk s ARG 103 Ca 0.85 -0.69 0.03 0.00 -0.52 0.00 0.00 55.73 55.40 1swk s ARG 103 Cb -0.78 -0.65 0.08 0.00 0.52 0.00 0.00 34.95 34.12 1swk s ARG 103 CO 0.45 0.15 -0.04 0.42 0.02 0.00 0.00 175.30 176.31 1swk s ILE 104 N -0.94 2.01 -0.19 1.52 1.01 -0.95 0.19 121.20 123.85 1swk s ILE 104 Ca -0.02 -1.77 -0.18 0.00 0.00 0.00 0.00 60.65 58.67 1swk s ILE 104 Cb -0.08 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 1swk s ILE 104 CO 0.01 -0.26 0.49 0.20 0.00 0.00 0.00 174.94 175.38 1swk s ASN 105 N 1.12 6.56 0.14 3.58 0.01 -0.45 -0.97 114.94 124.94 1swk s ASN 105 Ca -0.01 0.67 0.03 0.00 -0.71 0.00 0.00 52.86 52.84 1swk s ASN 105 Cb -0.19 -2.28 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 1swk s ASN 105 CO -0.07 -0.13 -0.06 0.42 -1.51 0.00 0.00 177.10 175.75 1swk s THR 106 N 1.40 0.90 0.11 1.60 -4.23 -0.55 -0.64 115.64 114.23 1swk s THR 106 Ca 0.24 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.85 1swk s THR 106 Cb -0.15 -1.89 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 1swk s THR 106 CO 0.09 -0.69 -0.26 -1.10 -0.54 0.00 0.00 174.62 172.12 1swk s GLN 107 N -3.82 1.52 0.09 3.99 -0.21 -0.53 -2.16 119.66 118.54 1swk s GLN 107 Ca 0.18 -1.29 0.03 0.00 0.02 0.00 0.00 55.36 54.30 1swk s GLN 107 Cb 0.04 -1.94 -0.04 0.00 1.00 0.00 0.00 33.01 32.08 1swk s GLN 107 CO 0.00 0.47 -0.08 1.67 -2.12 0.00 0.00 175.29 175.22 1swk s TRP 108 N -1.02 0.96 -0.13 0.91 1.48 0.91 -0.85 118.94 121.19 1swk s TRP 108 Ca 0.14 -0.75 0.03 0.00 -1.06 0.00 0.00 56.10 54.45 1swk s TRP 108 Cb -0.10 -0.53 0.01 0.00 -1.16 0.00 0.00 33.47 31.68 1swk s TRP 108 CO 0.06 -0.07 -0.22 -0.51 -4.06 0.00 0.00 176.95 172.15 1swk s LEU 109 N -2.65 2.08 -0.24 -4.66 1.43 -0.14 -1.43 118.68 113.06 1swk s LEU 109 Ca 0.07 -0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 52.55 1swk s LEU 109 Cb 0.00 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.81 1swk s LEU 109 CO -0.02 0.08 -0.05 -0.22 0.23 0.00 0.00 176.35 176.38 1swk s LEU 110 N 0.78 3.07 -0.08 1.79 2.96 -0.06 -0.30 118.68 126.84 1swk s LEU 110 Ca -0.08 -0.64 0.01 0.00 -0.22 0.00 0.00 54.13 53.19 1swk s LEU 110 Cb -0.16 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 1swk s LEU 110 CO -0.01 -0.08 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.97 1swk s THR 111 N 1.40 3.59 -0.00 3.68 2.01 0.15 -0.75 115.64 125.72 1swk s THR 111 Ca 0.03 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.55 1swk s THR 111 Cb -0.15 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 1swk s THR 111 CO -0.04 0.58 -0.09 -0.44 -0.69 0.00 0.00 174.62 173.95 1swk s SER 112 N -0.61 4.49 0.21 3.53 0.01 0.04 -0.70 113.70 120.67 1swk s SER 112 Ca 0.09 -0.17 -0.30 0.00 1.31 0.00 0.00 55.95 56.87 1swk s SER 112 Cb -0.12 -1.01 -0.09 0.00 0.21 0.00 0.00 66.02 65.00 1swk s SER 112 CO 0.02 0.29 1.43 -0.83 0.41 0.00 0.00 173.24 174.56 1swk s GLY 113 N -1.32 2.16 0.14 3.44 0.00 -0.47 -4.83 107.32 106.44 1swk s GLY 113 Ca 0.16 1.26 -0.03 0.00 0.00 0.00 0.00 44.72 46.11 1swk s GLY 113 CO 0.06 2.31 0.12 -0.51 0.00 0.00 0.00 173.10 175.09 1swk s THR 114 N 0.38 0.09 0.62 0.90 -4.23 -1.26 -5.02 115.64 107.12 1swk s THR 114 Ca 0.61 -1.76 -0.06 0.00 -1.18 0.00 0.00 61.69 59.30 1swk s THR 114 Cb -0.40 -1.97 0.02 0.00 1.34 0.00 0.00 72.50 71.48 1swk s THR 114 CO 0.38 -0.43 0.94 0.28 -0.54 0.00 0.00 174.62 175.25 1swk s THR 115 N -4.02 3.34 0.28 3.99 -1.32 -1.26 -4.89 115.64 111.76 1swk s THR 115 Ca 0.22 -0.03 0.01 0.00 -1.21 0.00 0.00 61.69 60.68 1swk s THR 115 Cb 0.06 -3.35 0.27 0.00 -1.51 0.00 0.00 72.50 67.97 1swk s THR 115 CO 0.01 -0.37 1.80 -0.33 -2.21 0.00 0.00 174.62 173.51 1swk h GLU 116 N -0.30 0.78 -0.98 7.08 4.39 -2.02 -1.46 114.58 122.07 1swk h GLU 116 Ca -0.45 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.22 1swk h GLU 116 Cb 1.27 -0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 29.69 1swk h GLU 116 CO 0.61 0.52 0.65 0.00 -1.16 0.00 0.00 179.01 179.62 1swk h ALA 117 N 1.57 1.26 -0.51 3.43 0.00 -2.07 -2.67 119.26 120.26 1swk h ALA 117 Ca 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1swk h ALA 117 Cb 0.64 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1swk h ALA 117 CO -0.32 0.61 0.00 0.09 0.00 0.00 0.00 179.25 179.62 1swk n ASN 118 N -4.42 3.41 0.09 0.00 3.02 -0.61 -4.53 115.26 112.23 1swk n ASN 118 Ca 0.12 -1.98 0.07 0.00 -0.03 0.00 0.00 54.58 52.76 1swk n ASN 118 Cb 0.03 -0.34 0.53 0.00 -0.61 0.00 0.00 39.78 39.40 1swk n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swk h ALA 119 N 4.36 1.90 0.00 5.41 0.00 -1.03 -0.68 119.26 129.21 1swk h ALA 119 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1swk h ALA 119 Cb 0.91 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1swk h ALA 119 CO 0.00 0.07 -0.03 0.11 0.00 0.00 0.00 179.25 179.40 1swk h TRP 120 N 0.29 0.00 -0.37 0.00 5.08 -1.80 -2.37 115.95 116.77 1swk h TRP 120 Ca 0.11 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 59.90 1swk h TRP 120 Cb 0.08 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.14 1swk h TRP 120 CO -0.00 0.03 -0.04 0.36 -1.28 0.00 0.00 178.44 177.51 1swk n LYS 121 N -3.56 1.95 0.02 0.12 2.85 -0.27 -4.71 118.16 114.56 1swk n LYS 121 Ca -0.03 -3.15 0.12 0.00 -1.05 0.00 0.00 58.31 54.21 1swk n LYS 121 Cb 0.13 -1.84 0.27 0.00 -0.65 0.00 0.00 35.03 32.94 1swk n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1swk n SER 122 N -1.08 0.51 -4.10 -5.58 3.41 -0.89 -4.89 113.62 101.01 1swk n SER 122 Ca 0.34 -0.02 -0.29 0.00 -0.26 0.00 0.00 58.87 58.63 1swk n SER 122 Cb 1.06 0.12 -0.17 0.00 -0.26 0.00 0.00 64.21 64.96 1swk n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1swk s THR 123 N -3.06 1.62 0.07 6.66 2.01 -1.26 -0.78 115.64 120.90 1swk s THR 123 Ca 0.10 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.38 1swk s THR 123 Cb 0.16 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 1swk s THR 123 CO 0.69 0.46 0.15 -0.76 -0.69 0.00 0.00 174.62 174.46 1swk s LEU 124 N 0.79 4.09 0.03 4.42 1.43 0.07 -4.93 118.68 124.58 1swk s LEU 124 Ca -0.10 0.14 0.06 0.00 -1.03 0.00 0.00 54.13 53.19 1swk s LEU 124 Cb -0.16 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 1swk s LEU 124 CO 0.01 0.18 -0.16 0.54 0.23 0.00 0.00 176.35 177.15 1swk s VAL 125 N -1.44 1.29 0.16 -1.59 0.11 -1.26 -0.89 120.40 116.78 1swk s VAL 125 Ca 0.32 -1.02 -0.05 0.00 -2.93 0.00 0.00 61.98 58.30 1swk s VAL 125 Cb -0.13 -1.14 0.02 0.00 -1.53 0.00 0.00 36.38 33.60 1swk s VAL 125 CO 0.25 0.10 0.31 0.61 -3.33 0.00 0.00 175.10 173.04 1swk n GLY 126 N 1.98 1.73 3.14 6.54 0.00 -0.52 -4.98 105.19 113.08 1swk n GLY 126 Ca -0.17 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 1swk n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swk s HIS 127 N -5.88 -0.33 0.04 1.61 -3.43 -1.26 -0.06 115.29 105.97 1swk s HIS 127 Ca 0.07 0.79 0.07 0.00 -0.80 0.00 0.00 55.06 55.20 1swk s HIS 127 Cb -0.02 0.10 -0.02 0.00 -1.43 0.00 0.00 32.58 31.21 1swk s HIS 127 CO 0.05 -0.18 -0.21 -0.51 -2.00 0.00 0.00 174.74 171.90 1swk s ASP 128 N 0.51 2.47 -0.18 7.38 1.01 -0.92 -4.97 116.67 121.96 1swk s ASP 128 Ca -0.03 -0.51 -0.02 0.00 0.71 0.00 0.00 52.55 52.69 1swk s ASP 128 Cb -0.04 -0.21 -0.01 0.00 1.01 0.00 0.00 42.92 43.66 1swk s ASP 128 CO -0.03 0.16 -0.07 -0.89 0.21 0.00 0.00 175.17 174.55 1swk s THR 129 N -0.78 3.33 0.01 -1.27 2.01 -1.26 -1.48 115.64 116.20 1swk s THR 129 Ca 0.07 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.58 1swk s THR 129 Cb -0.09 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 1swk s THR 129 CO 0.02 0.47 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.98 1swk s PHE 130 N 0.89 2.85 0.09 4.92 0.40 -0.15 -3.07 117.98 123.91 1swk s PHE 130 Ca -0.02 -0.06 0.06 0.00 -0.60 0.00 0.00 56.93 56.31 1swk s PHE 130 Cb -0.15 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.76 1swk s PHE 130 CO 0.01 0.36 -0.16 0.99 0.70 0.00 0.00 175.22 177.12 1swk s THR 131 N -1.00 1.32 -2.00 0.64 2.01 0.63 -2.23 115.64 115.02 1swk s THR 131 Ca 0.17 -1.44 0.19 0.00 0.31 0.00 0.00 61.69 60.91 1swk s THR 131 Cb -0.11 -1.29 0.53 0.00 0.01 0.00 0.00 72.50 71.65 1swk s THR 131 CO 0.08 -0.21 1.52 0.29 -0.69 0.00 0.00 174.62 175.60