#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 1.26 -2.26 -0.61 2.04 -1.98 -3.43 117.51 112.54 1swk h ILE 17 Ca 0.00 -1.24 -0.58 0.00 1.00 0.00 0.00 64.86 64.03 1swk h ILE 17 Cb 0.00 1.04 0.05 0.00 -0.74 0.00 0.00 36.82 37.18 1swk h ILE 17 CO 0.00 0.43 0.84 0.41 0.00 0.00 0.00 178.15 179.83 1swk n THR 18 N -4.14 0.07 -2.22 -0.27 -1.04 -1.26 -4.82 114.28 100.60 1swk n THR 18 Ca 0.01 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1swk n THR 18 Cb 0.39 -1.60 0.00 0.00 -1.82 0.00 0.00 70.33 67.31 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 3.56 -0.95 3.59 3.41 0.00 -0.94 -5.01 105.19 108.85 1swk n GLY 19 Ca 0.18 -1.44 -0.35 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.49 4.59 0.13 2.61 2.01 -1.26 -1.31 115.64 119.92 1swk s THR 20 Ca 0.00 -0.10 0.07 0.00 0.31 0.00 0.00 61.69 61.97 1swk s THR 20 Cb 0.00 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1swk s THR 20 CO 0.00 0.45 -0.16 0.26 -0.69 0.00 0.00 174.62 174.47 1swk s TRP 21 N 0.55 1.59 0.03 4.92 0.52 0.24 -4.58 118.94 122.19 1swk s TRP 21 Ca 0.02 -0.50 0.04 0.00 0.02 0.00 0.00 56.10 55.68 1swk s TRP 21 Cb -0.13 -0.82 -0.02 0.00 -1.15 0.00 0.00 33.47 31.35 1swk s TRP 21 CO 0.01 0.21 -0.11 0.71 0.02 0.00 0.00 176.95 177.80 1swk s TYR 22 N -1.93 0.96 0.53 -1.98 1.51 0.14 -0.03 117.35 116.55 1swk s TYR 22 Ca 0.10 -0.31 0.06 0.00 -1.01 0.00 0.00 57.07 55.91 1swk s TYR 22 Cb -0.06 -0.58 0.06 0.00 -0.11 0.00 0.00 41.96 41.27 1swk s TYR 22 CO 0.04 -0.00 0.51 0.27 -1.11 0.00 0.00 175.55 175.26 1swk n ASN 23 N 2.12 2.44 0.27 2.29 0.23 -0.59 -1.44 115.26 120.57 1swk n ASN 23 Ca -0.17 -2.68 0.18 0.00 -0.53 0.00 0.00 54.58 51.38 1swk n ASN 23 Cb 0.55 -0.16 0.88 0.00 -2.08 0.00 0.00 39.78 38.97 1swk n ASN 23 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1swk h GLN 24 N 0.00 0.00 -0.00 -3.83 -0.00 -1.90 0.71 115.11 110.09 1swk h GLN 24 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.35 1swk h GLN 24 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.67 1swk h GLN 24 CO 0.47 0.00 -0.52 1.28 -0.00 0.00 0.00 178.83 180.06 1swk n LEU 25 N -2.86 0.64 0.00 0.06 4.77 -1.26 -4.93 117.00 113.41 1swk n LEU 25 Ca -0.01 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1swk n LEU 25 Cb 0.16 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1swk n LEU 25 CO 0.21 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1swk n GLY 26 N 1.48 0.78 3.79 -0.72 0.00 0.24 -4.76 105.19 106.00 1swk n GLY 26 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.23 5.43 -0.18 1.61 0.01 -1.26 -4.70 113.70 112.39 1swk s SER 27 Ca 0.00 1.89 -0.00 0.00 1.31 0.00 0.00 55.95 59.14 1swk s SER 27 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1swk s SER 27 CO 0.00 -1.41 -0.14 -0.89 0.41 0.00 0.00 173.24 171.21 1swk s THR 28 N -2.45 2.61 -0.20 1.44 2.01 -0.24 -1.54 115.64 117.27 1swk s THR 28 Ca 0.65 -0.77 -0.01 0.00 0.31 0.00 0.00 61.69 61.87 1swk s THR 28 Cb -0.18 -2.12 0.01 0.00 0.01 0.00 0.00 72.50 70.22 1swk s THR 28 CO 0.40 0.50 -0.13 0.12 -0.69 0.00 0.00 174.62 174.83 1swk s PHE 29 N 1.14 2.88 -0.20 4.92 5.36 0.95 -1.07 117.98 131.96 1swk s PHE 29 Ca 0.01 -1.39 -0.01 0.00 -0.96 0.00 0.00 56.93 54.58 1swk s PHE 29 Cb -0.14 -2.00 0.02 0.00 -0.34 0.00 0.00 43.02 40.55 1swk s PHE 29 CO -0.05 -0.71 -0.13 0.42 -1.46 0.00 0.00 175.22 173.28 1swk s ILE 30 N 1.36 2.54 0.05 3.12 1.01 -0.87 0.79 121.20 129.20 1swk s ILE 30 Ca 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1swk s ILE 30 Cb -0.14 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 1swk s ILE 30 CO -0.09 0.43 -0.05 0.54 0.00 0.00 0.00 174.94 175.78 1swk s VAL 31 N 1.34 0.35 -0.15 2.92 0.11 -0.43 -1.87 120.40 122.67 1swk s VAL 31 Ca 0.04 -1.46 0.01 0.00 -2.93 0.00 0.00 61.98 57.64 1swk s VAL 31 Cb -0.14 -1.05 0.01 0.00 -1.53 0.00 0.00 36.38 33.67 1swk s VAL 31 CO -0.09 -0.73 -0.19 -0.89 -3.33 0.00 0.00 175.10 169.87 1swk s THR 32 N -2.74 2.31 -0.34 5.04 2.01 0.50 -2.22 115.64 120.21 1swk s THR 32 Ca -0.01 -0.89 -0.23 0.00 0.31 0.00 0.00 61.69 60.87 1swk s THR 32 Cb -0.01 -1.95 0.00 0.00 0.01 0.00 0.00 72.50 70.56 1swk s THR 32 CO -0.05 0.53 0.75 0.00 -0.69 0.00 0.00 174.62 175.17 1swk s ALA 33 N 0.86 3.47 0.56 7.40 0.00 -1.26 -0.44 121.76 132.35 1swk s ALA 33 Ca -0.05 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1swk s ALA 33 Cb -0.15 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.70 1swk s ALA 33 CO -0.02 -1.36 0.79 0.20 0.00 0.00 0.00 175.76 175.37 1swk s GLY 34 N 1.76 1.78 0.34 0.00 0.00 0.39 -4.91 107.32 106.68 1swk s GLY 34 Ca 0.30 -1.24 0.06 0.00 0.00 0.00 0.00 44.72 43.84 1swk s GLY 34 CO 0.15 -0.96 1.83 0.00 0.00 0.00 0.00 173.10 174.13 1swk h ALA 35 N 0.03 1.32 0.00 3.20 0.00 -1.98 -2.72 119.26 119.11 1swk h ALA 35 Ca -0.43 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1swk h ALA 35 Cb 1.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1swk h ALA 35 CO 0.54 0.45 0.00 -0.40 0.00 0.00 0.00 179.25 179.84 1swk n ASP 36 N -4.21 0.08 0.00 0.00 5.68 -1.26 -4.78 116.55 112.07 1swk n ASP 36 Ca -0.00 0.53 0.00 0.00 -0.50 0.00 0.00 54.79 54.81 1swk n ASP 36 Cb 0.32 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 1swk n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swk n GLY 37 N -0.46 0.89 3.79 6.12 0.00 -1.03 -4.97 105.19 109.53 1swk n GLY 37 Ca 0.02 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 3.47 -0.13 4.61 0.00 -1.25 -0.65 121.76 125.81 1swk s ALA 38 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1swk s ALA 38 Cb 0.00 -2.87 -0.01 0.00 0.00 0.00 0.00 23.12 20.24 1swk s ALA 38 CO 0.00 0.32 -0.14 -0.51 0.00 0.00 0.00 175.76 175.43 1swk s LEU 39 N -1.29 2.62 0.04 0.00 1.02 -0.85 0.15 118.68 120.37 1swk s LEU 39 Ca 0.36 -0.37 0.00 0.00 0.02 0.00 0.00 54.13 54.14 1swk s LEU 39 Cb -0.21 -1.58 -0.03 0.00 0.02 0.00 0.00 46.19 44.38 1swk s LEU 39 CO 0.24 0.15 -0.04 0.42 0.02 0.00 0.00 176.35 177.14 1swk s THR 40 N 0.41 0.29 -2.61 5.49 -4.23 0.42 -2.28 115.64 113.13 1swk s THR 40 Ca -0.11 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1swk s THR 40 Cb -0.16 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 72.82 1swk s THR 40 CO 0.05 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 1swk n GLY 41 N 0.95 -0.62 3.02 3.99 0.00 -1.15 0.19 105.19 111.57 1swk n GLY 41 Ca -0.19 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 1swk n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swk s THR 42 N -4.00 0.09 0.01 2.61 2.01 -0.78 -1.96 115.64 113.62 1swk s THR 42 Ca 0.00 -0.73 0.06 0.00 0.31 0.00 0.00 61.69 61.33 1swk s THR 42 Cb 0.00 -0.31 -0.02 0.00 0.01 0.00 0.00 72.50 72.18 1swk s THR 42 CO 0.00 -0.40 -0.17 -0.47 -0.69 0.00 0.00 174.62 172.89 1swk s TYR 43 N -1.27 1.54 -0.15 4.92 6.14 0.31 -2.05 117.35 126.79 1swk s TYR 43 Ca -0.14 -0.32 -0.01 0.00 0.64 0.00 0.00 57.07 57.24 1swk s TYR 43 Cb -0.08 -0.95 0.04 0.00 0.42 0.00 0.00 41.96 41.39 1swk s TYR 43 CO 0.00 0.02 -0.05 -2.00 0.64 0.00 0.00 175.55 174.16 1swk s GLU 44 N -0.76 1.32 0.09 4.97 2.12 -0.24 0.75 118.70 126.96 1swk s GLU 44 Ca 0.06 -0.40 -0.19 0.00 0.36 0.00 0.00 54.97 54.80 1swk s GLU 44 Cb -0.07 -1.83 -0.07 0.00 0.26 0.00 0.00 34.13 32.41 1swk s GLU 44 CO 0.00 -0.40 0.58 0.45 -0.54 0.00 0.00 175.26 175.35 1swk s SER 45 N 1.70 7.04 0.00 -1.70 0.15 -1.26 -1.08 113.70 118.54 1swk s SER 45 Ca 0.02 1.25 0.25 0.00 0.70 0.00 0.00 55.95 58.17 1swk s SER 45 Cb -0.15 -2.36 0.48 0.00 -1.71 0.00 0.00 66.02 62.28 1swk s SER 45 CO -0.08 0.23 1.39 0.00 1.20 0.00 0.00 173.24 175.99 1swk n ALA 46 N 1.52 3.51 -2.44 5.45 0.00 -1.26 -4.79 120.51 122.49 1swk n ALA 46 Ca -0.09 -0.42 -0.08 0.00 0.00 0.00 0.00 53.44 52.84 1swk n ALA 46 Cb 0.51 -1.06 -0.09 0.00 0.00 0.00 0.00 19.45 18.81 1swk n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1swk s VAL 47 N -2.77 0.17 0.00 0.00 -7.23 -1.26 -5.03 120.40 104.28 1swk s VAL 47 Ca 0.16 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 1swk s VAL 47 Cb 0.18 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.92 1swk s VAL 47 CO 0.64 -0.77 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 1swk n GLY 48 N 0.38 -1.89 3.12 2.32 0.00 -1.26 -4.51 105.19 103.36 1swk n GLY 48 Ca -0.16 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 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 0.57 4.98 -3.75 1.61 5.15 -1.26 -4.87 115.26 117.69 1swk n ASN 49 Ca 0.00 -3.02 -0.12 0.00 -0.60 0.00 0.00 54.58 50.84 1swk n ASN 49 Cb 0.00 -1.56 -0.12 0.00 -0.53 0.00 0.00 39.78 37.57 1swk n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1swk s ALA 50 N 1.49 -0.67 -0.00 5.20 0.00 -1.26 -4.50 121.76 122.02 1swk s ALA 50 Ca 0.43 0.93 0.04 0.00 0.00 0.00 0.00 51.96 53.37 1swk s ALA 50 Cb 0.05 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1swk s ALA 50 CO 0.00 -0.17 -0.14 -1.83 0.00 0.00 0.00 175.76 173.62 1swk s GLU 51 N 0.69 1.12 0.15 0.00 -1.05 -1.26 -4.87 118.70 113.47 1swk s GLU 51 Ca -0.04 -0.54 0.00 0.00 -0.15 0.00 0.00 54.97 54.24 1swk s GLU 51 Cb -0.06 -1.09 0.00 0.00 -0.44 0.00 0.00 34.13 32.54 1swk s GLU 51 CO -0.04 0.30 0.00 0.45 0.95 0.00 0.00 175.26 176.91 1swk n SER 52 N 2.63 -3.78 -4.83 0.83 2.88 -1.26 -4.87 113.62 105.22 1swk n SER 52 Ca -0.15 0.26 -0.33 0.00 -1.33 0.00 0.00 58.87 57.33 1swk n SER 52 Cb 0.55 -1.93 -0.06 0.00 -0.75 0.00 0.00 64.21 62.02 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 -1.60 4.12 0.08 -1.46 0.52 -1.26 -4.52 118.95 114.82 1swk s ARG 53 Ca 0.00 1.03 0.06 0.00 -0.52 0.00 0.00 55.73 56.30 1swk s ARG 53 Cb 0.00 -2.18 -0.03 0.00 0.52 0.00 0.00 34.95 33.26 1swk s ARG 53 CO 0.00 -0.10 -0.17 0.71 0.02 0.00 0.00 175.30 175.76 1swk s TYR 54 N -2.32 1.45 0.21 -0.53 1.51 0.23 -4.89 117.35 113.02 1swk s TYR 54 Ca 0.60 -0.43 -0.30 0.00 -1.01 0.00 0.00 57.07 55.93 1swk s TYR 54 Cb -0.09 -0.81 -0.09 0.00 -0.11 0.00 0.00 41.96 40.85 1swk s TYR 54 CO 0.20 0.11 1.32 0.08 -1.11 0.00 0.00 175.55 176.15 1swk s VAL 55 N -1.18 3.11 0.09 0.71 1.01 -1.26 0.11 120.40 122.99 1swk s VAL 55 Ca 0.02 0.93 0.07 0.00 0.00 0.00 0.00 61.98 63.00 1swk s VAL 55 Cb -0.10 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1swk s VAL 55 CO 0.03 0.15 -0.19 -1.48 0.00 0.00 0.00 175.10 173.60 1swk s LEU 56 N -0.26 2.27 0.01 3.92 0.05 -0.83 -4.41 118.68 119.43 1swk s LEU 56 Ca 0.56 -0.64 -0.02 0.00 0.05 0.00 0.00 54.13 54.08 1swk s LEU 56 Cb -0.37 -0.81 -0.01 0.00 -2.05 0.00 0.00 46.19 42.95 1swk s LEU 56 CO 0.40 0.04 0.02 0.28 -0.55 0.00 0.00 176.35 176.54 1swk s THR 57 N -1.12 0.09 0.00 5.48 -1.32 -0.92 -2.95 115.64 114.90 1swk s THR 57 Ca 0.05 -0.78 0.00 0.00 -1.21 0.00 0.00 61.69 59.74 1swk s THR 57 Cb -0.10 -0.29 0.00 0.00 -1.51 0.00 0.00 72.50 70.60 1swk s THR 57 CO 0.03 -0.43 0.00 0.61 -2.21 0.00 0.00 174.62 172.62 1swk n GLY 58 N 1.67 2.50 3.21 6.08 0.00 -0.97 -0.44 105.19 117.25 1swk n GLY 58 Ca -0.23 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.65 0.86 0.07 1.61 1.81 -0.53 -2.00 118.95 120.11 1swk s ARG 59 Ca 0.00 -1.02 -0.17 0.00 -1.72 0.00 0.00 55.73 52.82 1swk s ARG 59 Cb 0.00 0.33 0.03 0.00 -0.45 0.00 0.00 34.95 34.86 1swk s ARG 59 CO 0.00 -0.27 0.39 1.52 -0.68 0.00 0.00 175.30 176.26 1swk s TYR 60 N -3.88 -0.22 -0.45 -0.53 1.13 0.17 -1.93 117.35 111.64 1swk s TYR 60 Ca 0.07 0.07 -0.27 0.00 -1.41 0.00 0.00 57.07 55.53 1swk s TYR 60 Cb 0.05 0.21 -0.02 0.00 -1.10 0.00 0.00 41.96 41.10 1swk s TYR 60 CO -0.09 -0.60 1.86 0.34 -2.51 0.00 0.00 175.55 174.54 1swk s ASP 61 N -2.28 5.55 0.00 -0.18 -1.08 0.33 -4.61 116.67 114.39 1swk s ASP 61 Ca -0.02 0.90 0.09 0.00 -0.52 0.00 0.00 52.55 53.00 1swk s ASP 61 Cb 0.00 -2.53 0.54 0.00 -1.46 0.00 0.00 42.92 39.47 1swk s ASP 61 CO -0.06 -2.05 1.34 -1.54 0.52 0.00 0.00 175.17 173.37 1swk n SER 62 N 11.65 0.00 -2.86 -0.34 3.41 -1.26 -3.98 113.62 120.23 1swk n SER 62 Ca 0.23 -1.69 -0.12 0.00 -0.26 0.00 0.00 58.87 57.03 1swk n SER 62 Cb 0.49 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.64 -0.37 -1.03 7.33 0.00 -1.26 -5.07 120.51 119.47 1swk n ALA 63 Ca 0.07 -1.92 -0.31 0.00 0.00 0.00 0.00 53.44 51.28 1swk n ALA 63 Cb 0.03 -1.19 0.14 0.00 0.00 0.00 0.00 19.45 18.43 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 0.12 1.44 0.82 0.00 0.04 -1.26 -4.97 135.00 131.18 1swk s PRO 64 Ca 0.32 1.17 -0.14 0.00 0.04 0.00 0.00 61.00 62.40 1swk s PRO 64 Cb 0.23 -1.80 0.06 0.00 0.04 0.00 0.00 34.50 33.02 1swk s PRO 64 CO -0.19 -2.22 0.97 0.00 0.04 0.00 0.00 177.00 175.59 1swk n ALA 65 N -3.91 -0.70 0.99 8.56 0.00 -1.26 -4.88 120.51 119.30 1swk n ALA 65 Ca 0.09 -0.37 0.12 0.00 0.00 0.00 0.00 53.44 53.28 1swk n ALA 65 Cb 0.53 -2.11 0.10 0.00 0.00 0.00 0.00 19.45 17.97 1swk n ALA 65 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1swk n THR 66 N -3.23 0.00 1.09 0.00 5.66 -1.26 -4.27 114.28 112.28 1swk n THR 66 Ca 0.12 -0.50 0.08 0.00 -3.05 0.00 0.00 64.05 60.70 1swk n THR 66 Cb 0.51 1.49 0.47 0.00 -1.55 0.00 0.00 70.33 71.25 1swk n THR 66 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1swk n ASP 67 N 1.34 0.00 0.00 1.09 5.68 -1.26 -4.76 116.55 118.63 1swk n ASP 67 Ca 0.14 -0.59 0.00 0.00 -0.50 0.00 0.00 54.79 53.84 1swk n ASP 67 Cb 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 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 0.08 0.80 3.82 6.12 0.00 -1.26 -5.06 105.19 109.69 1swk n GLY 68 Ca 0.12 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.10 5.63 1.00 1.61 0.01 -1.26 -5.06 113.70 113.53 1swk s SER 69 Ca 0.00 1.65 -0.17 0.00 1.31 0.00 0.00 55.95 58.75 1swk s SER 69 Cb 0.00 -2.50 0.22 0.00 0.21 0.00 0.00 66.02 63.95 1swk s SER 69 CO 0.00 -1.27 1.32 -0.83 0.41 0.00 0.00 173.24 172.87 1swk s GLY 70 N -3.50 1.79 -0.27 3.44 0.00 -1.26 -4.80 107.32 102.72 1swk s GLY 70 Ca 0.59 -1.25 -0.11 0.00 0.00 0.00 0.00 44.72 43.96 1swk s GLY 70 CO 0.48 -0.44 0.18 -1.59 0.00 0.00 0.00 173.10 171.74 1swk s THR 71 N -3.86 5.32 0.30 0.90 2.01 0.04 -4.73 115.64 115.62 1swk s THR 71 Ca 0.75 0.17 -0.29 0.00 0.31 0.00 0.00 61.69 62.64 1swk s THR 71 Cb -0.03 -3.52 -0.09 0.00 0.01 0.00 0.00 72.50 68.86 1swk s THR 71 CO 0.54 0.28 1.09 0.00 -0.69 0.00 0.00 174.62 175.83 1swk s ALA 72 N 1.57 3.36 0.22 7.40 0.00 -1.26 -1.05 121.76 131.99 1swk s ALA 72 Ca 0.07 0.86 -0.19 0.00 0.00 0.00 0.00 51.96 52.70 1swk s ALA 72 Cb -0.15 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.68 1swk s ALA 72 CO 0.09 -0.16 0.59 -0.48 0.00 0.00 0.00 175.76 175.80 1swk s LEU 73 N -1.61 -0.10 0.13 0.00 2.34 -0.69 -0.51 118.68 118.24 1swk s LEU 73 Ca 0.46 -0.47 -0.24 0.00 0.06 0.00 0.00 54.13 53.94 1swk s LEU 73 Cb -0.30 2.35 0.07 0.00 -0.56 0.00 0.00 46.19 47.75 1swk s LEU 73 CO 0.39 -1.13 0.60 -0.83 -1.06 0.00 0.00 176.35 174.32 1swk s GLY 74 N -2.88 -0.60 0.17 -3.48 0.00 -0.81 -1.25 107.32 98.46 1swk s GLY 74 Ca 0.09 0.57 -0.14 0.00 0.00 0.00 0.00 44.72 45.25 1swk s GLY 74 CO -0.01 0.24 0.39 0.66 0.00 0.00 0.00 173.10 174.38 1swk s TRP 75 N -3.43 0.08 0.08 1.90 -2.14 -0.87 -1.45 118.94 113.10 1swk s TRP 75 Ca -0.00 -0.43 0.08 0.00 2.66 0.00 0.00 56.10 58.40 1swk s TRP 75 Cb -0.01 0.18 -0.03 0.00 -3.10 0.00 0.00 33.47 30.51 1swk s TRP 75 CO -0.10 -0.79 -0.20 0.99 -2.66 0.00 0.00 176.95 174.19 1swk s THR 76 N -3.90 1.62 -0.07 0.66 2.01 0.42 -1.62 115.64 114.77 1swk s THR 76 Ca 0.11 -1.40 -0.01 0.00 0.31 0.00 0.00 61.69 60.69 1swk s THR 76 Cb 0.01 -1.46 0.03 0.00 0.01 0.00 0.00 72.50 71.09 1swk s THR 76 CO -0.04 0.00 0.01 -0.69 -0.69 0.00 0.00 174.62 173.21 1swk s VAL 77 N -1.06 0.33 -0.26 3.82 1.01 -0.67 -2.16 120.40 121.42 1swk s VAL 77 Ca 0.06 0.15 -0.23 0.00 0.00 0.00 0.00 61.98 61.96 1swk s VAL 77 Cb -0.10 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 1swk s VAL 77 CO 0.03 0.25 0.75 0.00 0.00 0.00 0.00 175.10 176.13 1swk s ALA 78 N 1.95 3.61 -1.55 5.51 0.00 -1.26 -1.20 121.76 128.82 1swk s ALA 78 Ca 0.04 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 51.59 1swk s ALA 78 Cb -0.12 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1swk s ALA 78 CO -0.05 -0.94 2.67 1.19 0.00 0.00 0.00 175.76 178.63 1swk n PHE 79 N 5.94 2.79 -4.10 0.00 3.72 0.36 -4.78 117.46 121.39 1swk n PHE 79 Ca 0.03 -3.03 -0.20 0.00 -0.05 0.00 0.00 57.45 54.19 1swk n PHE 79 Cb 0.48 -2.45 -0.16 0.00 -0.94 0.00 0.00 39.48 36.40 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 2.20 0.80 0.00 -1.08 2.20 -1.26 -0.14 119.74 122.45 1swk s LYS 80 Ca 0.61 -0.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.14 1swk s LYS 80 Cb 0.17 -0.86 0.00 0.00 -1.51 0.00 0.00 37.83 35.63 1swk s LYS 80 CO -0.07 -0.11 0.00 0.27 -0.36 0.00 0.00 175.35 175.08 1swk n ASN 81 N 4.20 0.00 0.21 1.43 0.23 -0.08 -4.82 115.26 116.44 1swk n ASN 81 Ca -0.22 -0.84 0.14 0.00 -0.53 0.00 0.00 54.58 53.13 1swk n ASN 81 Cb 0.51 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.70 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 0.00 0.28 0.53 4.21 -1.96 -3.08 115.58 115.57 1swk h ASN 82 Ca 0.00 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.17 1swk h ASN 82 Cb 0.00 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.22 1swk h ASN 82 CO 0.00 0.00 -1.57 1.88 -1.29 0.00 0.00 177.43 176.45 1swk h TYR 83 N 0.00 0.82 -2.26 1.19 0.05 -1.96 -3.49 116.97 111.31 1swk h TYR 83 Ca 0.00 -0.60 0.17 0.00 0.05 0.00 0.00 58.73 58.36 1swk h TYR 83 Cb 0.62 -0.03 -0.10 0.00 1.01 0.00 0.00 36.73 38.23 1swk h TYR 83 CO 0.00 1.57 0.51 -0.98 -1.05 0.00 0.00 178.16 178.21 1swk s ARG 84 N -2.60 1.06 -0.16 4.88 1.70 -1.16 -5.06 118.95 117.60 1swk s ARG 84 Ca -0.11 -0.55 -0.04 0.00 -0.47 0.00 0.00 55.73 54.55 1swk s ARG 84 Cb 0.05 0.38 0.06 0.00 -0.57 0.00 0.00 34.95 34.87 1swk s ARG 84 CO 0.90 -0.48 0.08 1.21 -1.08 0.00 0.00 175.30 175.93 1swk s ASN 85 N -2.84 2.31 0.00 -2.89 3.84 -1.26 -0.90 114.94 113.20 1swk s ASN 85 Ca 0.11 -0.58 0.28 0.00 0.21 0.00 0.00 52.86 52.88 1swk s ASN 85 Cb -0.01 -0.28 1.14 0.00 -0.55 0.00 0.00 41.25 41.56 1swk s ASN 85 CO -0.01 -0.34 1.83 0.00 -2.79 0.00 0.00 177.10 175.80 1swk n ALA 86 N 5.25 2.69 -3.60 1.71 0.00 0.80 -4.92 120.51 122.45 1swk n ALA 86 Ca -0.07 -0.20 -0.20 0.00 0.00 0.00 0.00 53.44 52.97 1swk n ALA 86 Cb 0.49 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.33 -2.02 -3.66 0.00 8.25 -1.26 -4.86 115.22 110.35 1swk n HIS 87 Ca 0.10 0.85 -0.11 0.00 -0.26 0.00 0.00 57.72 58.30 1swk n HIS 87 Cb 0.31 -4.54 -0.05 0.00 1.12 0.00 0.00 29.99 26.83 1swk n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swk s SER 88 N -4.28 -0.21 -0.11 0.41 1.04 -1.26 -1.50 113.70 107.79 1swk s SER 88 Ca 0.04 -0.29 -0.09 0.00 0.48 0.00 0.00 55.95 56.10 1swk s SER 88 Cb -0.01 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.60 1swk s SER 88 CO 0.79 -0.81 0.28 0.00 0.98 0.00 0.00 173.24 174.48 1swk s ALA 89 N -3.58 -0.68 0.05 5.32 0.00 -0.78 -0.48 121.76 121.60 1swk s ALA 89 Ca 0.02 0.88 0.08 0.00 0.00 0.00 0.00 51.96 52.93 1swk s ALA 89 Cb 0.02 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 1swk s ALA 89 CO -0.10 -0.16 -0.20 0.99 0.00 0.00 0.00 175.76 176.30 1swk s THR 90 N 0.49 2.67 -0.06 0.00 2.01 -0.34 -0.81 115.64 119.59 1swk s THR 90 Ca -0.03 -1.24 0.04 0.00 0.31 0.00 0.00 61.69 60.77 1swk s THR 90 Cb -0.04 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.35 1swk s THR 90 CO -0.03 0.33 -0.17 0.42 -0.69 0.00 0.00 174.62 174.49 1swk s THR 91 N -0.91 1.46 -0.17 -0.82 -4.23 -0.03 -1.66 115.64 109.27 1swk s THR 91 Ca 0.14 -0.70 -0.05 0.00 -1.18 0.00 0.00 61.69 59.91 1swk s THR 91 Cb -0.10 -1.28 -0.03 0.00 1.34 0.00 0.00 72.50 72.43 1swk s THR 91 CO 0.05 0.42 0.00 0.26 -0.54 0.00 0.00 174.62 174.81 1swk s TRP 92 N 0.32 3.10 -0.11 3.99 0.51 -0.64 -1.23 118.94 124.88 1swk s TRP 92 Ca -0.11 -0.20 0.02 0.00 -2.12 0.00 0.00 56.10 53.69 1swk s TRP 92 Cb -0.14 -2.02 0.01 0.00 -0.81 0.00 0.00 33.47 30.51 1swk s TRP 92 CO 0.04 -0.01 -0.17 0.45 -0.51 0.00 0.00 176.95 176.76 1swk s SER 93 N 0.47 2.57 0.00 2.95 0.15 0.14 -2.06 113.70 117.92 1swk s SER 93 Ca -0.01 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.18 1swk s SER 93 Cb -0.14 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.01 1swk s SER 93 CO 0.02 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1swk n GLY 94 N 4.12 1.72 3.02 9.45 0.00 -0.38 -0.78 105.19 122.32 1swk n GLY 94 Ca -0.19 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 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 1.64 0.32 -0.06 1.61 -2.07 -0.78 -1.71 119.66 118.61 1swk s GLN 95 Ca 0.00 -0.37 -0.17 0.00 -1.82 0.00 0.00 55.36 53.00 1swk s GLN 95 Cb 0.00 0.13 -0.05 0.00 -1.09 0.00 0.00 33.01 32.00 1swk s GLN 95 CO 0.00 -0.06 0.45 -0.47 -1.32 0.00 0.00 175.29 173.88 1swk s TYR 96 N -1.09 3.62 -0.16 9.60 5.04 -0.22 -1.50 117.35 132.65 1swk s TYR 96 Ca -0.12 0.95 -0.00 0.00 -2.44 0.00 0.00 57.07 55.46 1swk s TYR 96 Cb -0.07 -2.43 0.04 0.00 0.35 0.00 0.00 41.96 39.85 1swk s TYR 96 CO 0.00 0.40 -0.08 0.08 -1.34 0.00 0.00 175.55 174.62 1swk s VAL 97 N -0.23 1.27 0.33 3.14 1.01 0.93 -0.78 120.40 126.07 1swk s VAL 97 Ca 0.25 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 1swk s VAL 97 Cb -0.16 -1.37 0.07 0.00 0.00 0.00 0.00 36.38 34.92 1swk s VAL 97 CO 0.12 0.22 0.45 0.61 0.00 0.00 0.00 175.10 176.50 1swk n GLY 98 N 4.83 -0.43 0.00 4.51 0.00 -1.26 0.60 105.19 113.43 1swk n GLY 98 Ca -0.13 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1swk n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swk n GLY 99 N 1.88 -0.34 0.13 -0.02 0.00 -1.26 -4.45 105.19 101.13 1swk n GLY 99 Ca 0.06 -2.11 -0.10 0.00 0.00 0.00 0.00 46.02 43.87 1swk n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swk h ALA 100 N 0.00 0.31 -2.22 4.61 0.00 -2.07 -3.21 119.26 116.68 1swk h ALA 100 Ca 0.00 -0.11 -0.67 0.00 0.00 0.00 0.00 54.91 54.14 1swk h ALA 100 Cb 0.00 -0.09 -0.38 0.00 0.00 0.00 0.00 17.79 17.32 1swk h ALA 100 CO 0.00 -0.11 -0.16 0.39 0.00 0.00 0.00 179.25 179.37 1swk n GLU 101 N -4.81 3.05 -1.69 0.00 -0.58 -1.26 -5.06 120.64 110.29 1swk n GLU 101 Ca -0.03 -4.62 -0.39 0.00 -0.42 0.00 0.00 57.16 51.70 1swk n GLU 101 Cb 0.12 -2.35 0.03 0.00 -0.57 0.00 0.00 31.44 28.67 1swk n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1swk n ALA 102 N 1.17 1.06 -3.28 0.62 0.00 -1.22 -4.90 120.51 113.96 1swk n ALA 102 Ca 0.28 0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.73 1swk n ALA 102 Cb 0.38 -2.25 -0.09 0.00 0.00 0.00 0.00 19.45 17.49 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 -2.56 0.64 -0.27 0.00 0.52 0.20 -4.44 118.95 113.04 1swk s ARG 103 Ca 0.68 0.09 0.02 0.00 -0.52 0.00 0.00 55.73 56.00 1swk s ARG 103 Cb -0.46 0.30 0.06 0.00 0.52 0.00 0.00 34.95 35.36 1swk s ARG 103 CO 0.52 -0.16 -0.08 0.42 0.02 0.00 0.00 175.30 176.03 1swk s ILE 104 N -0.82 2.40 -0.24 1.52 1.01 -0.43 -0.05 121.20 124.58 1swk s ILE 104 Ca -0.09 -1.58 -0.11 0.00 0.00 0.00 0.00 60.65 58.87 1swk s ILE 104 Cb -0.04 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 1swk s ILE 104 CO 0.04 -0.06 0.19 0.20 0.00 0.00 0.00 174.94 175.31 1swk s ASN 105 N 1.14 6.14 0.17 3.58 0.01 -0.56 -1.00 114.94 124.42 1swk s ASN 105 Ca -0.08 0.14 0.03 0.00 -0.71 0.00 0.00 52.86 52.24 1swk s ASN 105 Cb -0.20 -2.12 -0.05 0.00 0.41 0.00 0.00 41.25 39.29 1swk s ASN 105 CO -0.04 0.03 -0.03 0.42 -1.51 0.00 0.00 177.10 175.96 1swk s THR 106 N 1.22 0.88 0.13 1.60 -4.23 0.02 -1.87 115.64 113.38 1swk s THR 106 Ca 0.09 -2.01 0.10 0.00 -1.18 0.00 0.00 61.69 58.69 1swk s THR 106 Cb -0.14 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.61 1swk s THR 106 CO 0.06 -0.56 -0.24 -1.10 -0.54 0.00 0.00 174.62 172.25 1swk s GLN 107 N -3.85 1.30 0.10 3.99 -0.21 0.04 -2.29 119.66 118.73 1swk s GLN 107 Ca 0.22 -1.30 0.03 0.00 0.02 0.00 0.00 55.36 54.32 1swk s GLN 107 Cb 0.05 -1.66 -0.04 0.00 1.00 0.00 0.00 33.01 32.36 1swk s GLN 107 CO 0.03 0.38 -0.08 1.67 -2.12 0.00 0.00 175.29 175.18 1swk s TRP 108 N -1.23 0.97 -0.10 0.91 1.48 -0.15 0.25 118.94 121.08 1swk s TRP 108 Ca 0.12 -0.80 0.02 0.00 -1.06 0.00 0.00 56.10 54.38 1swk s TRP 108 Cb -0.09 -0.54 0.02 0.00 -1.16 0.00 0.00 33.47 31.69 1swk s TRP 108 CO 0.06 -0.07 -0.13 -0.51 -4.06 0.00 0.00 176.95 172.23 1swk s LEU 109 N -2.82 1.63 -0.24 -4.66 1.43 -0.37 -1.85 118.68 111.80 1swk s LEU 109 Ca 0.10 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1swk s LEU 109 Cb 0.02 -0.99 0.02 0.00 0.03 0.00 0.00 46.19 45.27 1swk s LEU 109 CO -0.02 0.00 -0.06 -0.22 0.23 0.00 0.00 176.35 176.28 1swk s LEU 110 N 1.00 3.07 -0.15 1.79 2.96 -0.25 -0.85 118.68 126.26 1swk s LEU 110 Ca -0.07 -0.73 -0.01 0.00 -0.22 0.00 0.00 54.13 53.10 1swk s LEU 110 Cb -0.15 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 1swk s LEU 110 CO -0.01 -0.10 -0.12 -0.89 -1.32 0.00 0.00 176.35 173.91 1swk s THR 111 N 1.37 3.06 0.02 3.68 2.01 0.01 -0.73 115.64 125.05 1swk s THR 111 Ca 0.02 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 61.36 1swk s THR 111 Cb -0.16 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 1swk s THR 111 CO -0.04 0.51 0.18 -0.44 -0.69 0.00 0.00 174.62 174.13 1swk s SER 112 N 0.59 6.25 0.20 3.53 0.01 -0.04 -1.86 113.70 122.37 1swk s SER 112 Ca -0.07 0.28 -0.30 0.00 1.31 0.00 0.00 55.95 57.16 1swk s SER 112 Cb -0.15 -1.92 -0.09 0.00 0.21 0.00 0.00 66.02 64.07 1swk s SER 112 CO 0.03 0.22 1.36 -0.83 0.41 0.00 0.00 173.24 174.44 1swk s GLY 113 N -2.16 2.31 0.06 3.44 0.00 -0.56 -4.81 107.32 105.61 1swk s GLY 113 Ca 0.30 1.17 -0.05 0.00 0.00 0.00 0.00 44.72 46.15 1swk s GLY 113 CO 0.22 2.19 0.07 -0.51 0.00 0.00 0.00 173.10 175.07 1swk s THR 114 N 0.28 0.18 0.85 0.90 -4.23 -1.26 -5.03 115.64 107.33 1swk s THR 114 Ca 0.59 -1.46 -0.11 0.00 -1.18 0.00 0.00 61.69 59.53 1swk s THR 114 Cb -0.38 -1.34 0.10 0.00 1.34 0.00 0.00 72.50 72.22 1swk s THR 114 CO 0.38 -0.80 1.09 0.42 -0.54 0.00 0.00 174.62 175.17 1swk s THR 115 N -3.67 2.84 0.25 3.99 -4.23 -1.26 -4.87 115.64 108.69 1swk s THR 115 Ca 0.04 0.27 -0.05 0.00 -1.18 0.00 0.00 61.69 60.77 1swk s THR 115 Cb 0.05 -2.86 0.19 0.00 1.34 0.00 0.00 72.50 71.23 1swk s THR 115 CO -0.09 -0.36 1.85 -0.33 -0.54 0.00 0.00 174.62 175.15 1swk h GLU 116 N -1.36 1.13 -0.00 3.99 3.07 -2.02 -0.60 114.58 118.80 1swk h GLU 116 Ca -0.48 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.22 1swk h GLU 116 Cb 1.28 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.98 1swk h GLU 116 CO 0.56 0.87 0.00 0.00 -1.40 0.00 0.00 179.01 179.04 1swk h ALA 117 N 1.29 1.56 -0.31 3.43 0.00 -2.07 -2.53 119.26 120.63 1swk h ALA 117 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1swk h ALA 117 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1swk h ALA 117 CO -0.04 -0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.30 1swk n ASN 118 N -3.89 3.04 0.11 0.00 3.02 -0.31 -4.62 115.26 112.62 1swk n ASN 118 Ca -0.03 -2.20 0.04 0.00 -0.03 0.00 0.00 54.58 52.36 1swk n ASN 118 Cb 0.08 -0.28 0.45 0.00 -0.61 0.00 0.00 39.78 39.43 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 1.83 1.67 -0.33 5.41 0.00 -0.89 -0.65 119.26 126.31 1swk h ALA 119 Ca 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1swk h ALA 119 Cb 0.85 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1swk h ALA 119 CO 0.04 0.25 0.27 0.11 0.00 0.00 0.00 179.25 179.93 1swk h TRP 120 N 0.28 0.00 -0.60 0.00 5.08 -1.82 -1.45 115.95 117.44 1swk h TRP 120 Ca 0.07 0.00 -0.40 0.00 1.08 0.00 0.00 58.89 59.64 1swk h TRP 120 Cb 0.16 0.00 -0.25 0.00 -3.00 0.00 0.00 29.16 26.07 1swk h TRP 120 CO 0.00 0.00 -0.20 0.36 -1.28 0.00 0.00 178.44 177.33 1swk n LYS 121 N -4.16 2.61 0.04 0.12 2.85 -0.25 -4.71 118.16 114.65 1swk n LYS 121 Ca 0.05 -3.57 0.13 0.00 -1.05 0.00 0.00 58.31 53.87 1swk n LYS 121 Cb 0.44 -2.06 0.38 0.00 -0.65 0.00 0.00 35.03 33.14 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 -0.94 0.46 -3.83 -5.58 3.41 -0.55 -4.89 113.62 101.70 1swk n SER 122 Ca 0.42 0.24 -0.26 0.00 -0.26 0.00 0.00 58.87 59.01 1swk n SER 122 Cb 0.94 -0.22 -0.17 0.00 -0.26 0.00 0.00 64.21 64.50 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 0.75 0.28 6.66 2.01 -1.26 -0.86 115.64 120.16 1swk s THR 123 Ca 0.11 -0.29 -0.05 0.00 0.31 0.00 0.00 61.69 61.77 1swk s THR 123 Cb 0.16 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.68 1swk s THR 123 CO 0.63 0.18 0.54 -0.76 -0.69 0.00 0.00 174.62 174.52 1swk s LEU 124 N 1.80 4.08 0.02 4.42 1.43 0.09 -4.91 118.68 125.60 1swk s LEU 124 Ca 0.03 0.71 0.04 0.00 -1.03 0.00 0.00 54.13 53.88 1swk s LEU 124 Cb -0.14 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 1swk s LEU 124 CO -0.07 -0.18 -0.13 0.54 0.23 0.00 0.00 176.35 176.74 1swk s VAL 125 N -2.05 1.01 0.09 -1.59 0.11 -1.26 -1.09 120.40 115.62 1swk s VAL 125 Ca 0.44 -0.80 -0.03 0.00 -2.93 0.00 0.00 61.98 58.66 1swk s VAL 125 Cb -0.11 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1swk s VAL 125 CO 0.29 0.09 0.16 0.61 -3.33 0.00 0.00 175.10 172.93 1swk n GLY 126 N 2.24 2.05 2.92 6.54 0.00 -0.77 -4.99 105.19 113.18 1swk n GLY 126 Ca -0.16 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 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 -6.71 -0.10 -0.00 1.61 -3.43 -1.26 -0.98 115.29 104.43 1swk s HIS 127 Ca 0.04 0.29 0.08 0.00 -0.80 0.00 0.00 55.06 54.67 1swk s HIS 127 Cb -0.01 -0.04 -0.02 0.00 -1.43 0.00 0.00 32.58 31.08 1swk s HIS 127 CO 0.03 -0.09 -0.25 -0.51 -2.00 0.00 0.00 174.74 171.93 1swk s ASP 128 N 0.53 2.90 -0.16 7.38 1.01 -0.97 -4.98 116.67 122.38 1swk s ASP 128 Ca -0.04 -0.48 0.01 0.00 0.71 0.00 0.00 52.55 52.75 1swk s ASP 128 Cb -0.06 -0.30 0.00 0.00 1.01 0.00 0.00 42.92 43.57 1swk s ASP 128 CO -0.02 0.28 -0.17 -0.89 0.21 0.00 0.00 175.17 174.58 1swk s THR 129 N -0.64 2.45 -0.07 -1.27 2.01 -1.26 -0.80 115.64 116.05 1swk s THR 129 Ca 0.10 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.24 1swk s THR 129 Cb -0.09 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 1swk s THR 129 CO -0.00 0.52 0.05 -0.36 -0.69 0.00 0.00 174.62 174.14 1swk s PHE 130 N 0.94 3.28 0.15 4.92 0.40 -0.17 -3.38 117.98 124.12 1swk s PHE 130 Ca -0.03 0.26 -0.04 0.00 -0.60 0.00 0.00 56.93 56.52 1swk s PHE 130 Cb -0.15 -1.80 -0.03 0.00 0.51 0.00 0.00 43.02 41.55 1swk s PHE 130 CO -0.03 0.54 0.14 -0.08 0.70 0.00 0.00 175.22 176.49 1swk s THR 131 N -0.99 0.08 -2.67 0.64 -1.32 -0.52 -1.32 115.64 109.54 1swk s THR 131 Ca 0.16 -1.76 0.27 0.00 -1.21 0.00 0.00 61.69 59.15 1swk s THR 131 Cb -0.12 -2.02 0.43 0.00 -1.51 0.00 0.00 72.50 69.28 1swk s THR 131 CO 0.06 -0.37 1.58 0.29 -2.21 0.00 0.00 174.62 173.96