#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfm n SER 2 N 0.00 0.10 -4.01 1.61 2.88 -1.26 -5.10 113.62 107.84 1wfm n SER 2 Ca 0.00 0.30 -0.36 0.00 -1.33 0.00 0.00 58.87 57.48 1wfm n SER 2 Cb 0.00 0.17 0.04 0.00 -0.75 0.00 0.00 64.21 63.67 1wfm n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wfm n SER 3 N -3.25 -5.92 0.00 -3.46 3.41 -1.26 -4.79 113.62 98.34 1wfm n SER 3 Ca 0.00 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1wfm n SER 3 Cb 0.04 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 1wfm n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfm n GLY 4 N 3.43 0.02 1.23 5.00 0.00 -1.26 -5.16 105.19 108.45 1wfm n GLY 4 Ca -0.02 -0.51 0.16 0.00 0.00 0.00 0.00 46.02 45.65 1wfm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfm n SER 5 N 0.00 -7.18 -1.25 1.61 7.64 -1.26 -5.03 113.62 108.14 1wfm n SER 5 Ca 0.00 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.87 1wfm n SER 5 Cb 0.00 -4.05 0.00 0.00 -1.01 0.00 0.00 64.21 59.15 1wfm n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wfm n SER 6 N -4.03 -6.99 0.00 6.43 7.64 -1.26 -5.10 113.62 110.31 1wfm n SER 6 Ca -0.05 0.93 0.00 0.00 1.01 0.00 0.00 58.87 60.77 1wfm n SER 6 Cb 0.58 -3.26 0.00 0.00 -1.01 0.00 0.00 64.21 60.52 1wfm n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfm n GLY 7 N -0.24 3.21 3.63 0.23 0.00 -1.26 -5.08 105.19 105.68 1wfm n GLY 7 Ca 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 1wfm n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfm s SER 8 N 0.00 -0.19 -0.27 1.61 0.15 -1.26 -5.18 113.70 108.55 1wfm s SER 8 Ca 0.00 0.32 -0.38 0.00 0.70 0.00 0.00 55.95 56.59 1wfm s SER 8 Cb 0.00 0.31 0.16 0.00 -1.71 0.00 0.00 66.02 64.77 1wfm s SER 8 CO 0.00 -0.10 1.40 0.86 1.20 0.00 0.00 173.24 176.60 1wfm s TRP 9 N -0.32 -0.00 -0.05 3.44 -0.00 -1.26 -5.07 118.94 115.68 1wfm s TRP 9 Ca 0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 56.10 56.04 1wfm s TRP 9 Cb -0.03 0.50 -0.06 0.00 -0.00 0.00 0.00 33.47 33.87 1wfm s TRP 9 CO -0.09 -0.01 0.49 -0.91 -0.00 0.00 0.00 176.95 176.43 1wfm h ASN 10 N 2.00 -0.36 -3.24 5.86 2.35 -2.08 -3.43 115.58 116.68 1wfm h ASN 10 Ca -0.05 0.01 -0.56 0.00 -0.55 0.00 0.00 56.30 55.16 1wfm h ASN 10 Cb 1.13 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.56 1wfm h ASN 10 CO 0.20 0.08 0.57 -1.10 -1.65 0.00 0.00 177.43 175.53 1wfm s GLN 11 N -2.91 4.42 0.15 0.81 -0.21 -1.26 -5.04 119.66 115.61 1wfm s GLN 11 Ca -0.06 1.45 0.06 0.00 0.02 0.00 0.00 55.36 56.83 1wfm s GLN 11 Cb 0.01 -3.54 -0.04 0.00 1.00 0.00 0.00 33.01 30.44 1wfm s GLN 11 CO 0.18 -0.32 0.02 0.00 -2.12 0.00 0.00 175.29 173.05 1wfm s ALA 12 N 1.96 3.28 0.04 6.09 0.00 -1.26 -5.09 121.76 126.78 1wfm s ALA 12 Ca 0.50 -1.27 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 1wfm s ALA 12 Cb -0.20 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 1wfm s ALA 12 CO 0.19 0.55 1.17 -1.25 0.00 0.00 0.00 175.76 176.43 1wfm s PRO 13 N -2.76 4.44 0.00 0.00 0.04 -1.26 -4.80 135.00 130.66 1wfm s PRO 13 Ca 0.27 1.72 0.04 0.00 0.04 0.00 0.00 61.00 63.08 1wfm s PRO 13 Cb -0.10 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 1wfm s PRO 13 CO 0.19 -0.25 -0.12 0.15 0.04 0.00 0.00 177.00 177.02 1wfm s LYS 14 N 1.15 2.40 -0.09 4.56 1.02 -0.14 -0.27 119.74 128.38 1wfm s LYS 14 Ca 0.58 -0.79 -0.02 0.00 0.02 0.00 0.00 55.97 55.76 1wfm s LYS 14 Cb -0.28 -2.38 0.03 0.00 -0.52 0.00 0.00 37.83 34.68 1wfm s LYS 14 CO 0.28 0.59 0.02 -1.17 -0.92 0.00 0.00 175.35 174.16 1wfm s LEU 15 N -1.27 0.56 0.06 3.17 2.96 0.50 0.19 118.68 124.86 1wfm s LEU 15 Ca 0.15 -0.18 -0.19 0.00 -0.22 0.00 0.00 54.13 53.69 1wfm s LEU 15 Cb -0.11 -0.39 -0.06 0.00 0.50 0.00 0.00 46.19 46.12 1wfm s LEU 15 CO 0.05 -0.23 0.57 -2.28 -1.32 0.00 0.00 176.35 173.14 1wfm s HIS 16 N 2.00 3.79 -0.10 5.38 5.65 -1.06 -2.83 115.29 128.13 1wfm s HIS 16 Ca 0.04 1.26 -0.26 0.00 0.25 0.00 0.00 55.06 56.35 1wfm s HIS 16 Cb -0.13 -2.50 0.06 0.00 -1.18 0.00 0.00 32.58 28.83 1wfm s HIS 16 CO -0.05 0.56 0.60 1.52 -0.65 0.00 0.00 174.74 176.72 1wfm s TYR 17 N -1.00 -0.59 -0.26 3.88 -0.85 -1.16 -2.97 117.35 114.41 1wfm s TYR 17 Ca 0.29 1.15 0.02 0.00 -0.52 0.00 0.00 57.07 58.00 1wfm s TYR 17 Cb -0.19 0.31 0.05 0.00 0.38 0.00 0.00 41.96 42.51 1wfm s TYR 17 CO 0.19 -0.49 -0.10 0.00 -1.52 0.00 0.00 175.55 173.62 1wfm s LEU 19 N 1.17 4.19 -0.22 0.00 2.01 -1.26 -1.97 118.68 122.61 1wfm s LEU 19 Ca -0.06 1.08 -0.05 0.00 0.01 0.00 0.00 54.13 55.11 1wfm s LEU 19 Cb -0.19 -3.10 0.11 0.00 0.01 0.00 0.00 46.19 43.02 1wfm s LEU 19 CO -0.05 -0.31 0.41 -0.62 1.01 0.00 0.00 176.35 176.79 1wfm s ASP 20 N 1.10 -0.11 -0.29 2.29 2.15 -0.63 0.19 116.67 121.38 1wfm s ASP 20 Ca 0.35 0.72 -0.11 0.00 0.43 0.00 0.00 52.55 53.94 1wfm s ASP 20 Cb -0.17 1.28 -0.04 0.00 -0.30 0.00 0.00 42.92 43.70 1wfm s ASP 20 CO 0.13 -0.26 0.17 -0.47 -0.17 0.00 0.00 175.17 174.58 1wfm s TYR 21 N 2.59 3.19 -1.02 -5.34 5.04 -1.26 -1.40 117.35 119.15 1wfm s TYR 21 Ca 0.04 -0.08 -0.15 0.00 -2.44 0.00 0.00 57.07 54.43 1wfm s TYR 21 Cb -0.13 -2.37 0.18 0.00 0.35 0.00 0.00 41.96 39.98 1wfm s TYR 21 CO -0.14 -0.25 1.16 0.34 -1.34 0.00 0.00 175.55 175.32 1wfm s ASP 22 N 1.72 6.87 0.31 4.32 -1.08 -1.12 -4.85 116.67 122.84 1wfm s ASP 22 Ca 0.07 -2.63 0.07 0.00 -0.52 0.00 0.00 52.55 49.54 1wfm s ASP 22 Cb -0.16 -2.34 0.88 0.00 -1.46 0.00 0.00 42.92 39.83 1wfm s ASP 22 CO 0.09 -0.79 1.64 0.00 0.52 0.00 0.00 175.17 176.64 1wfm h GLN 24 N 0.23 0.12 0.11 0.00 4.20 -1.97 -1.47 115.11 116.32 1wfm h GLN 24 Ca 0.64 -0.01 -0.34 0.00 0.06 0.00 0.00 58.65 59.00 1wfm h GLN 24 Cb 1.38 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.11 1wfm h GLN 24 CO -0.66 0.08 -1.85 0.87 -0.67 0.00 0.00 178.83 176.60 1wfm h LYS 25 N 0.12 0.23 -0.07 1.46 1.57 0.25 -3.48 116.57 116.65 1wfm h LYS 25 Ca 0.42 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1wfm h LYS 25 Cb 0.75 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1wfm h LYS 25 CO -0.65 1.08 0.00 0.00 -0.57 0.00 0.00 179.45 179.31 1wfm n ALA 26 N -2.85 0.00 -3.18 3.86 0.00 0.74 -4.99 120.51 114.08 1wfm n ALA 26 Ca -0.26 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 52.99 1wfm n ALA 26 Cb 1.05 -0.40 -0.16 0.00 0.00 0.00 0.00 19.45 19.95 1wfm n ALA 26 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wfm s GLU 27 N -3.44 0.83 0.90 0.00 8.01 -1.22 -1.20 118.70 122.57 1wfm s GLU 27 Ca 0.00 -0.22 -0.12 0.00 0.01 0.00 0.00 54.97 54.64 1wfm s GLU 27 Cb 0.00 -0.80 0.13 0.00 -4.31 0.00 0.00 34.13 29.15 1wfm s GLU 27 CO 0.00 0.05 1.09 -1.17 0.01 0.00 0.00 175.26 175.25 1wfm s LEU 28 N 0.37 2.17 -0.14 1.80 2.96 0.58 -2.81 118.68 123.61 1wfm s LEU 28 Ca -0.05 1.38 -0.09 0.00 -0.22 0.00 0.00 54.13 55.15 1wfm s LEU 28 Cb -0.09 -3.78 0.05 0.00 0.50 0.00 0.00 46.19 42.86 1wfm s LEU 28 CO 0.00 -2.64 0.34 -0.36 -1.32 0.00 0.00 176.35 172.38 1wfm s PHE 29 N -2.99 -0.46 -0.43 5.38 0.08 -0.50 -1.64 117.98 117.43 1wfm s PHE 29 Ca 0.63 1.04 0.02 0.00 0.12 0.00 0.00 56.93 58.74 1wfm s PHE 29 Cb -0.17 0.16 0.12 0.00 -0.57 0.00 0.00 43.02 42.56 1wfm s PHE 29 CO 0.56 -0.26 0.20 0.08 -0.10 0.00 0.00 175.22 175.70 1wfm s VAL 30 N 0.97 1.77 0.00 -0.44 1.01 0.70 -1.61 120.40 122.80 1wfm s VAL 30 Ca -0.06 -2.56 0.00 0.00 0.00 0.00 0.00 61.98 59.36 1wfm s VAL 30 Cb -0.07 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1wfm s VAL 30 CO -0.07 -0.80 0.00 0.35 0.00 0.00 0.00 175.10 174.58 1wfm n THR 31 N 3.72 0.00 -3.71 3.92 -2.24 -0.83 0.11 114.28 115.25 1wfm n THR 31 Ca 0.05 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.58 1wfm n THR 31 Cb 0.36 -0.71 0.06 0.00 -2.10 0.00 0.00 70.33 67.94 1wfm n THR 31 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wfm n ARG 32 N -0.49 -6.72 -2.28 -0.78 5.12 -1.26 0.73 116.66 110.99 1wfm n ARG 32 Ca 0.00 0.73 -0.43 0.00 -1.93 0.00 0.00 57.85 56.22 1wfm n ARG 32 Cb 0.00 -5.68 -0.02 0.00 -1.16 0.00 0.00 32.46 25.59 1wfm n ARG 32 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1wfm s LEU 33 N -7.16 4.19 -0.44 0.55 2.01 -1.25 -3.37 118.68 113.20 1wfm s LEU 33 Ca 0.51 1.82 0.05 0.00 0.01 0.00 0.00 54.13 56.52 1wfm s LEU 33 Cb -0.24 -3.54 0.18 0.00 0.01 0.00 0.00 46.19 42.60 1wfm s LEU 33 CO 0.77 -0.86 0.53 -1.61 1.01 0.00 0.00 176.35 176.19 1wfm s GLU 34 N 3.78 0.90 0.91 1.70 8.01 -1.16 -2.98 118.70 129.86 1wfm s GLU 34 Ca 0.61 -1.24 -0.11 0.00 0.01 0.00 0.00 54.97 54.24 1wfm s GLU 34 Cb -0.25 -0.58 0.12 0.00 -4.31 0.00 0.00 34.13 29.11 1wfm s GLU 34 CO 0.20 -1.30 1.04 0.00 0.01 0.00 0.00 175.26 175.22 1wfm n ALA 35 N 3.36 -0.99 -2.99 5.21 0.00 -1.03 -2.56 120.51 121.52 1wfm n ALA 35 Ca 0.19 -0.54 -0.16 0.00 0.00 0.00 0.00 53.44 52.93 1wfm n ALA 35 Cb 0.51 -2.14 -0.01 0.00 0.00 0.00 0.00 19.45 17.80 1wfm n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wfm n VAL 36 N -4.04 -0.36 -3.58 0.00 0.31 0.51 -3.33 118.33 107.84 1wfm n VAL 36 Ca 0.11 -2.88 -0.10 0.00 -0.01 0.00 0.00 64.34 61.47 1wfm n VAL 36 Cb 0.52 -0.31 -0.10 0.00 -0.91 0.00 0.00 33.84 33.04 1wfm n VAL 36 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1wfm s THR 37 N -0.37 -0.59 0.00 2.52 -1.32 -1.26 -0.96 115.64 113.65 1wfm s THR 37 Ca 0.34 0.12 0.00 0.00 -1.21 0.00 0.00 61.69 60.94 1wfm s THR 37 Cb 0.21 -0.67 0.00 0.00 -1.51 0.00 0.00 72.50 70.53 1wfm s THR 37 CO -0.17 0.03 0.00 -0.24 -2.21 0.00 0.00 174.62 172.03 1wfm n SER 38 N 5.38 0.00 0.11 8.08 2.88 -1.26 -4.62 113.62 124.18 1wfm n SER 38 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1wfm n SER 38 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1wfm n SER 38 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1wfm n ASN 39 N 0.00 -1.93 -2.81 -3.46 3.02 -1.26 -4.87 115.26 103.95 1wfm n ASN 39 Ca 0.00 0.42 -0.10 0.00 -0.03 0.00 0.00 54.58 54.86 1wfm n ASN 39 Cb 0.00 2.06 0.06 0.00 -0.61 0.00 0.00 39.78 41.28 1wfm n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wfm n HIS 40 N -2.92 -2.63 0.00 3.10 1.44 -1.26 -5.04 115.22 107.91 1wfm n HIS 40 Ca 0.00 -2.23 0.00 0.00 -2.01 0.00 0.00 57.72 53.48 1wfm n HIS 40 Cb 0.00 1.31 0.00 0.00 0.12 0.00 0.00 29.99 31.42 1wfm n HIS 40 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1wfm n ASP 41 N 0.88 0.00 0.00 4.39 8.00 -1.26 -5.12 116.55 123.44 1wfm n ASP 41 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1wfm n ASP 41 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 1wfm n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wfm n GLY 42 N 0.00 -1.97 2.74 0.44 0.00 -1.26 -4.97 105.19 100.17 1wfm n GLY 42 Ca 0.00 0.93 -0.37 0.00 0.00 0.00 0.00 46.02 46.58 1wfm n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfm n GLY 43 N 0.00 5.92 3.66 -0.02 0.00 -1.26 -4.62 105.19 108.88 1wfm n GLY 43 Ca 0.00 -2.62 -0.02 0.00 0.00 0.00 0.00 46.02 43.38 1wfm n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfm s ASP 45 N -2.83 6.47 0.19 0.00 1.01 -1.26 -3.23 116.67 117.02 1wfm s ASP 45 Ca 0.12 0.55 0.10 0.00 0.71 0.00 0.00 52.55 54.02 1wfm s ASP 45 Cb 0.01 -2.20 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 1wfm s ASP 45 CO -0.02 0.09 -0.15 0.00 0.21 0.00 0.00 175.17 175.30 1wfm s TYR 47 N -1.70 0.22 0.23 0.00 -0.85 -0.95 -2.75 117.35 111.55 1wfm s TYR 47 Ca 0.23 -0.61 -0.10 0.00 -0.52 0.00 0.00 57.07 56.07 1wfm s TYR 47 Cb -0.08 -0.02 -0.07 0.00 0.38 0.00 0.00 41.96 42.17 1wfm s TYR 47 CO 0.13 -0.65 0.56 0.08 -1.52 0.00 0.00 175.55 174.16 1wfm s VAL 48 N -3.90 4.91 -0.02 -3.49 1.01 -1.26 -2.69 120.40 114.95 1wfm s VAL 48 Ca 0.10 0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.64 1wfm s VAL 48 Cb 0.04 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1wfm s VAL 48 CO -0.06 -0.04 -0.05 -1.58 0.00 0.00 0.00 175.10 173.37 1wfm s GLN 49 N -2.73 0.59 0.08 2.72 0.74 0.11 -1.61 119.66 119.55 1wfm s GLN 49 Ca 0.47 -0.16 0.10 0.00 0.05 0.00 0.00 55.36 55.81 1wfm s GLN 49 Cb -0.12 -0.59 -0.03 0.00 1.10 0.00 0.00 33.01 33.37 1wfm s GLN 49 CO 0.21 0.05 -0.26 0.20 -0.55 0.00 0.00 175.29 174.94 1wfm s GLY 50 N 0.27 1.42 -0.03 2.59 0.00 0.37 0.50 107.32 112.44 1wfm s GLY 50 Ca -0.03 -1.31 -0.02 0.00 0.00 0.00 0.00 44.72 43.35 1wfm s GLY 50 CO -0.00 -1.24 0.08 -1.35 0.00 0.00 0.00 173.10 170.59 1wfm s SER 51 N -1.55 -0.07 -0.04 1.64 1.04 -0.61 -0.40 113.70 113.72 1wfm s SER 51 Ca 0.12 0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.74 1wfm s SER 51 Cb -0.10 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1wfm s SER 51 CO 0.03 -0.06 -0.11 -0.69 0.98 0.00 0.00 173.24 173.39 1wfm s VAL 52 N 0.40 0.97 -0.24 5.02 1.01 0.25 0.20 120.40 128.01 1wfm s VAL 52 Ca -0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 1wfm s VAL 52 Cb -0.04 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.50 1wfm s VAL 52 CO -0.02 0.30 -0.08 0.00 0.00 0.00 0.00 175.10 175.30 1wfm s ALA 53 N 0.29 2.65 0.45 5.51 0.00 -0.81 0.75 121.76 130.59 1wfm s ALA 53 Ca -0.06 -1.42 0.06 0.00 0.00 0.00 0.00 51.96 50.55 1wfm s ALA 53 Cb -0.11 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 1wfm s ALA 53 CO 0.01 -0.73 0.19 0.54 0.00 0.00 0.00 175.76 175.77 1wfm s ASN 54 N 1.32 4.40 0.00 0.00 2.20 -0.04 -2.76 114.94 120.06 1wfm s ASN 54 Ca 0.01 -1.19 0.17 0.00 -0.94 0.00 0.00 52.86 50.90 1wfm s ASN 54 Cb -0.16 -0.20 0.86 0.00 -2.00 0.00 0.00 41.25 39.75 1wfm s ASN 54 CO -0.06 -0.67 1.47 0.54 -2.94 0.00 0.00 177.10 175.44 1wfm n ARG 55 N -1.32 0.28 -0.05 3.55 1.74 -1.26 -1.87 116.66 117.74 1wfm n ARG 55 Ca -0.04 0.11 0.01 0.00 -0.77 0.00 0.00 57.85 57.16 1wfm n ARG 55 Cb 0.65 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.43 1wfm n ARG 55 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wfm n THR 56 N -1.24 0.65 0.00 0.55 -2.24 -1.26 -5.08 114.28 105.66 1wfm n THR 56 Ca 0.09 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1wfm n THR 56 Cb 0.12 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1wfm n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wfm n GLY 57 N 1.56 -0.45 3.60 3.38 0.00 -0.78 -5.15 105.19 107.36 1wfm n GLY 57 Ca -0.17 0.26 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 1wfm n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfm s SER 58 N -4.00 -0.40 0.13 1.61 1.04 -1.26 -0.86 113.70 109.96 1wfm s SER 58 Ca 0.00 0.60 0.08 0.00 0.48 0.00 0.00 55.95 57.11 1wfm s SER 58 Cb 0.00 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 1wfm s SER 58 CO 0.00 -0.26 -0.20 0.68 0.98 0.00 0.00 173.24 174.44 1wfm s VAL 59 N -0.52 1.76 0.10 5.02 -7.23 0.23 -4.95 120.40 114.82 1wfm s VAL 59 Ca 0.00 -1.69 0.02 0.00 -1.81 0.00 0.00 61.98 58.51 1wfm s VAL 59 Cb -0.02 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 1wfm s VAL 59 CO -0.02 -0.15 -0.07 -1.61 -0.31 0.00 0.00 175.10 172.94 1wfm s GLU 60 N -2.24 0.85 0.11 4.82 2.02 -1.26 0.86 118.70 123.86 1wfm s GLU 60 Ca 0.10 -1.35 -0.26 0.00 0.02 0.00 0.00 54.97 53.49 1wfm s GLU 60 Cb -0.08 -0.23 0.08 0.00 0.10 0.00 0.00 34.13 33.99 1wfm s GLU 60 CO 0.05 -0.02 0.84 0.00 0.02 0.00 0.00 175.26 176.16 1wfm s ALA 61 N -3.61 -1.66 0.27 5.21 0.00 0.47 -4.96 121.76 117.47 1wfm s ALA 61 Ca 0.12 0.49 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 1wfm s ALA 61 Cb 0.05 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1wfm s ALA 61 CO -0.04 -0.85 0.53 1.14 0.00 0.00 0.00 175.76 176.53 1wfm s GLN 62 N -3.37 1.66 0.54 0.00 1.03 -1.26 0.14 119.66 118.40 1wfm s GLN 62 Ca 0.07 -1.29 0.09 0.00 0.04 0.00 0.00 55.36 54.27 1wfm s GLN 62 Cb -0.02 0.49 0.06 0.00 0.03 0.00 0.00 33.01 33.58 1wfm s GLN 62 CO -0.04 -0.71 0.69 0.95 -2.54 0.00 0.00 175.29 173.64 1wfm s THR 63 N -3.79 2.27 0.24 3.63 -4.23 -0.63 -4.86 115.64 108.27 1wfm s THR 63 Ca 0.22 -1.07 -0.30 0.00 -1.18 0.00 0.00 61.69 59.36 1wfm s THR 63 Cb -0.02 -2.34 -0.09 0.00 1.34 0.00 0.00 72.50 71.40 1wfm s THR 63 CO 0.10 0.00 1.11 0.00 -0.54 0.00 0.00 174.62 175.30 1wfm s ALA 64 N -2.61 3.40 0.87 3.99 0.00 -1.26 -4.69 121.76 121.46 1wfm s ALA 64 Ca 0.57 0.88 -0.14 0.00 0.00 0.00 0.00 51.96 53.27 1wfm s ALA 64 Cb -0.06 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 1wfm s ALA 64 CO 0.36 -0.21 0.29 1.28 0.00 0.00 0.00 175.76 177.48 1wfm n LEU 65 N 1.73 -0.65 0.00 0.00 7.99 -1.26 -4.85 117.00 119.96 1wfm n LEU 65 Ca 0.01 0.40 -0.07 0.00 -0.01 0.00 0.00 56.01 56.34 1wfm n LEU 65 Cb 0.45 -1.15 0.01 0.00 -0.11 0.00 0.00 43.42 42.62 1wfm n LEU 65 CO 0.54 -3.78 0.27 0.29 -1.51 0.00 0.00 177.39 173.20 1wfm n LYS 66 N -0.81 0.66 -3.60 3.23 5.02 -1.11 -5.00 118.16 116.55 1wfm n LYS 66 Ca 0.07 -1.61 -0.36 0.00 -2.02 0.00 0.00 58.31 54.38 1wfm n LYS 66 Cb 0.52 1.83 -0.08 0.00 -0.02 0.00 0.00 35.03 37.29 1wfm n LYS 66 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1wfm s LYS 67 N -2.22 4.17 0.15 1.97 2.20 -1.26 -2.48 119.74 122.28 1wfm s LYS 67 Ca 0.14 -0.08 -0.34 0.00 -0.36 0.00 0.00 55.97 55.32 1wfm s LYS 67 Cb -0.02 -3.47 -0.14 0.00 -1.51 0.00 0.00 37.83 32.68 1wfm s LYS 67 CO 0.10 0.16 1.57 -2.13 -0.36 0.00 0.00 175.35 174.69 1wfm n ARG 68 N 3.91 2.10 -4.13 4.03 0.63 -1.20 -4.85 116.66 117.15 1wfm n ARG 68 Ca -0.13 0.76 -0.15 0.00 -0.92 0.00 0.00 57.85 57.40 1wfm n ARG 68 Cb 0.52 -2.52 -0.05 0.00 0.45 0.00 0.00 32.46 30.86 1wfm n ARG 68 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1wfm s GLN 69 N 0.93 1.86 0.00 -0.14 -1.52 -1.26 -4.93 119.66 114.60 1wfm s GLN 69 Ca 0.79 -1.80 0.30 0.00 -1.95 0.00 0.00 55.36 52.70 1wfm s GLN 69 Cb -0.69 0.42 1.41 0.00 -0.22 0.00 0.00 33.01 33.93 1wfm s GLN 69 CO 0.38 -0.75 1.97 1.28 -0.25 0.00 0.00 175.29 177.92 1wfm n LEU 70 N -0.57 0.32 -2.70 2.90 4.77 -1.26 -4.28 117.00 116.19 1wfm n LEU 70 Ca 0.02 0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 55.99 1wfm n LEU 70 Cb 0.62 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.61 1wfm n LEU 70 CO 0.30 0.06 0.45 1.57 -1.33 0.00 0.00 177.39 178.44 1wfm n HIS 71 N -0.99 -1.72 -2.15 -1.77 -0.00 -1.26 -4.13 115.22 103.20 1wfm n HIS 71 Ca 0.16 -1.21 -0.34 0.00 0.46 0.00 0.00 57.72 56.79 1wfm n HIS 71 Cb 0.24 1.32 0.01 0.00 -0.12 0.00 0.00 29.99 31.44 1wfm n HIS 71 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1wfm s THR 72 N 0.32 3.33 0.05 3.57 2.01 -1.21 -4.87 115.64 118.83 1wfm s THR 72 Ca 0.27 0.75 0.02 0.00 0.31 0.00 0.00 61.69 63.04 1wfm s THR 72 Cb 0.23 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 1wfm s THR 72 CO -0.15 -0.25 -0.06 0.42 -0.69 0.00 0.00 174.62 173.88 1wfm s THR 73 N -2.00 0.47 0.45 -0.82 -4.23 -1.26 -2.45 115.64 105.79 1wfm s THR 73 Ca 0.70 -1.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.01 1wfm s THR 73 Cb -0.21 -0.77 -0.03 0.00 1.34 0.00 0.00 72.50 72.83 1wfm s THR 73 CO 0.31 -0.52 0.05 0.26 -0.54 0.00 0.00 174.62 174.18 1wfm s TRP 74 N -1.89 1.92 -0.13 3.99 0.51 -1.16 -5.04 118.94 117.15 1wfm s TRP 74 Ca -0.07 -1.03 0.09 0.00 -2.12 0.00 0.00 56.10 52.97 1wfm s TRP 74 Cb -0.07 -1.45 -0.14 0.00 -0.81 0.00 0.00 33.47 31.00 1wfm s TRP 74 CO -0.01 0.06 0.01 -1.91 -0.51 0.00 0.00 176.95 174.59 1wfm n GLU 75 N -1.07 1.72 -3.74 4.98 2.13 -1.26 -4.80 120.64 118.60 1wfm n GLU 75 Ca -0.12 0.01 -0.22 0.00 0.66 0.00 0.00 57.16 57.49 1wfm n GLU 75 Cb 0.66 -1.31 -0.04 0.00 0.27 0.00 0.00 31.44 31.02 1wfm n GLU 75 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1wfm s GLU 76 N -2.29 2.43 0.00 5.31 -1.05 -1.26 -4.97 118.70 116.87 1wfm s GLU 76 Ca -0.09 -1.64 0.00 0.00 -0.15 0.00 0.00 54.97 53.09 1wfm s GLU 76 Cb 0.04 -2.25 0.00 0.00 -0.44 0.00 0.00 34.13 31.48 1wfm s GLU 76 CO 0.47 -0.19 0.00 0.41 0.95 0.00 0.00 175.26 176.90 1wfm n GLY 77 N -1.47 5.96 3.23 -3.83 0.00 -1.26 -4.71 105.19 103.12 1wfm n GLY 77 Ca 0.02 -2.11 -0.34 0.00 0.00 0.00 0.00 46.02 43.59 1wfm n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wfm s LEU 78 N 0.00 2.85 -0.08 0.99 1.43 0.29 -4.77 118.68 119.39 1wfm s LEU 78 Ca 0.00 -0.63 0.03 0.00 -1.03 0.00 0.00 54.13 52.50 1wfm s LEU 78 Cb 0.00 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 1wfm s LEU 78 CO 0.00 -0.06 -0.15 0.54 0.23 0.00 0.00 176.35 176.91 1wfm s VAL 79 N 1.38 2.93 -0.01 -1.59 0.11 -1.26 0.25 120.40 122.22 1wfm s VAL 79 Ca 0.04 -0.75 0.02 0.00 -2.93 0.00 0.00 61.98 58.36 1wfm s VAL 79 Cb -0.15 -2.17 -0.00 0.00 -1.53 0.00 0.00 36.38 32.53 1wfm s VAL 79 CO -0.06 0.56 -0.07 -0.76 -3.33 0.00 0.00 175.10 171.44 1wfm s LEU 80 N -0.27 1.98 0.10 2.54 1.43 -0.65 -4.78 118.68 119.02 1wfm s LEU 80 Ca 0.01 -0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 1wfm s LEU 80 Cb -0.13 -0.38 -0.06 0.00 0.03 0.00 0.00 46.19 45.65 1wfm s LEU 80 CO 0.03 0.08 1.15 -2.16 0.23 0.00 0.00 176.35 175.68 1wfm s PRO 81 N -0.12 4.49 -0.06 1.29 0.04 -1.26 0.21 135.00 139.60 1wfm s PRO 81 Ca 0.02 1.73 -0.28 0.00 0.04 0.00 0.00 61.00 62.51 1wfm s PRO 81 Cb -0.03 -3.33 0.06 0.00 0.04 0.00 0.00 34.50 31.24 1wfm s PRO 81 CO -0.00 -0.13 0.62 -1.17 0.04 0.00 0.00 177.00 176.35 1wfm s LEU 82 N 0.56 -0.40 -0.02 -3.56 2.96 -0.34 -4.80 118.68 113.08 1wfm s LEU 82 Ca 0.55 0.67 -0.20 0.00 -0.22 0.00 0.00 54.13 54.93 1wfm s LEU 82 Cb -0.29 2.30 -0.05 0.00 0.50 0.00 0.00 46.19 48.65 1wfm s LEU 82 CO 0.31 -0.55 0.57 0.00 -1.32 0.00 0.00 176.35 175.37 1wfm s ALA 83 N -1.08 3.49 0.60 5.97 0.00 -1.26 -4.19 121.76 125.29 1wfm s ALA 83 Ca -0.10 -0.01 0.29 0.00 0.00 0.00 0.00 51.96 52.14 1wfm s ALA 83 Cb -0.01 -2.72 1.61 0.00 0.00 0.00 0.00 23.12 22.01 1wfm s ALA 83 CO 0.08 0.16 2.01 1.49 0.00 0.00 0.00 175.76 179.50 1wfm h GLU 84 N 5.74 0.00 -0.00 0.00 4.81 -1.95 1.30 114.58 124.49 1wfm h GLU 84 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1wfm h GLU 84 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1wfm h GLU 84 CO 0.70 0.00 -0.00 -0.85 -0.73 0.00 0.00 179.01 178.13 1wfm n GLU 85 N -3.62 0.37 0.00 1.92 0.28 -1.26 -2.85 120.64 115.48 1wfm n GLU 85 Ca 0.03 -0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.06 1wfm n GLU 85 Cb 0.45 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.81 1wfm n GLU 85 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1wfm n GLU 86 N -1.31 3.02 -0.27 3.44 1.02 0.43 -4.60 120.64 122.37 1wfm n GLU 86 Ca 0.13 -0.35 0.02 0.00 -0.02 0.00 0.00 57.16 56.93 1wfm n GLU 86 Cb 0.26 -0.91 0.09 0.00 -0.02 0.00 0.00 31.44 30.86 1wfm n GLU 86 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1wfm h LEU 87 N 0.50 -0.80 -0.58 -4.62 3.38 -1.05 1.16 115.31 113.31 1wfm h LEU 87 Ca 0.00 0.24 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 1wfm h LEU 87 Cb 0.19 0.51 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1wfm h LEU 87 CO 0.00 -0.27 -0.52 1.55 0.09 0.00 0.00 178.44 179.29 1wfm h PRO 88 N -0.01 0.00 -0.90 1.13 0.13 -1.80 -3.00 132.00 127.55 1wfm h PRO 88 Ca 0.37 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 65.16 1wfm h PRO 88 Cb 0.58 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.50 1wfm h PRO 88 CO -0.81 0.52 0.43 0.25 -0.23 0.00 0.00 178.00 178.16 1wfm n THR 89 N -3.49 2.84 -3.99 1.56 -2.24 0.26 -4.89 114.28 104.33 1wfm n THR 89 Ca 0.00 -1.59 -0.09 0.00 -2.27 0.00 0.00 64.05 60.10 1wfm n THR 89 Cb 0.63 -0.47 -0.11 0.00 -2.10 0.00 0.00 70.33 68.29 1wfm n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfm s ALA 90 N -2.85 0.16 -0.00 6.98 0.00 0.33 -4.07 121.76 122.31 1wfm s ALA 90 Ca 0.50 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1wfm s ALA 90 Cb 0.41 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.71 1wfm s ALA 90 CO 0.11 -0.22 -0.00 0.99 0.00 0.00 0.00 175.76 176.64 1wfm s THR 91 N -2.06 0.03 0.06 0.00 2.01 -1.11 -4.18 115.64 110.38 1wfm s THR 91 Ca -0.10 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1wfm s THR 91 Cb -0.05 -0.04 -0.04 0.00 0.01 0.00 0.00 72.50 72.38 1wfm s THR 91 CO -0.03 0.01 0.20 -0.22 -0.69 0.00 0.00 174.62 173.89 1wfm s LEU 92 N 0.03 4.31 -0.18 4.42 2.96 -1.07 -1.93 118.68 127.21 1wfm s LEU 92 Ca -0.00 0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 54.11 1wfm s LEU 92 Cb -0.01 -2.90 0.07 0.00 0.50 0.00 0.00 46.19 43.86 1wfm s LEU 92 CO -0.00 0.18 0.16 -0.89 -1.32 0.00 0.00 176.35 174.47 1wfm s THR 93 N -1.49 -0.22 0.22 3.68 2.01 0.13 -1.25 115.64 118.73 1wfm s THR 93 Ca 0.34 -0.09 -0.20 0.00 0.31 0.00 0.00 61.69 62.05 1wfm s THR 93 Cb -0.13 -0.59 -0.08 0.00 0.01 0.00 0.00 72.50 71.70 1wfm s THR 93 CO 0.27 -0.20 0.73 -0.76 -0.69 0.00 0.00 174.62 173.96 1wfm s LEU 94 N 2.24 4.35 -0.08 4.42 1.02 0.22 -1.57 118.68 129.28 1wfm s LEU 94 Ca 0.05 1.43 -0.04 0.00 0.02 0.00 0.00 54.13 55.58 1wfm s LEU 94 Cb -0.15 -3.58 0.04 0.00 0.02 0.00 0.00 46.19 42.51 1wfm s LEU 94 CO -0.10 0.04 0.19 0.42 0.02 0.00 0.00 176.35 176.92 1wfm s THR 95 N -1.51 -0.04 -0.55 5.49 -4.23 0.18 0.19 115.64 115.16 1wfm s THR 95 Ca 0.43 0.14 -0.16 0.00 -1.18 0.00 0.00 61.69 60.92 1wfm s THR 95 Cb -0.17 -0.30 0.13 0.00 1.34 0.00 0.00 72.50 73.50 1wfm s THR 95 CO 0.21 0.06 0.54 -0.22 -0.54 0.00 0.00 174.62 174.67 1wfm s LEU 96 N 1.06 6.07 0.05 4.79 2.96 0.11 0.05 118.68 133.78 1wfm s LEU 96 Ca -0.08 -1.75 -0.06 0.00 -0.22 0.00 0.00 54.13 52.02 1wfm s LEU 96 Cb -0.10 -2.22 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 1wfm s LEU 96 CO -0.06 -0.90 0.31 -0.13 -1.32 0.00 0.00 176.35 174.25 1wfm s ARG 97 N 1.75 3.60 -0.04 1.98 0.52 -1.10 0.17 118.95 125.84 1wfm s ARG 97 Ca 0.05 -0.07 -0.01 0.00 -0.52 0.00 0.00 55.73 55.17 1wfm s ARG 97 Cb -0.29 -3.01 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 1wfm s ARG 97 CO 0.03 0.59 0.06 0.95 0.02 0.00 0.00 175.30 176.95 1wfm s THR 98 N -1.41 4.66 0.18 0.02 -4.23 -1.26 -2.24 115.64 111.36 1wfm s THR 98 Ca 0.32 -0.31 -0.32 0.00 -1.18 0.00 0.00 61.69 60.20 1wfm s THR 98 Cb -0.13 -3.07 -0.11 0.00 1.34 0.00 0.00 72.50 70.53 1wfm s THR 98 CO 0.19 0.45 1.75 0.00 -0.54 0.00 0.00 174.62 176.48 1wfm s ASP 100 N 1.68 -0.10 0.20 0.00 1.47 -1.26 -4.69 116.67 113.96 1wfm s ASP 100 Ca 0.77 -0.40 -0.19 0.00 1.18 0.00 0.00 52.55 53.90 1wfm s ASP 100 Cb -0.48 0.41 0.16 0.00 -0.34 0.00 0.00 42.92 42.66 1wfm s ASP 100 CO 0.33 -0.77 1.44 -1.14 0.68 0.00 0.00 175.17 175.71 1wfm n ARG 101 N -0.54 -0.26 -3.26 2.11 0.63 -1.26 -4.13 116.66 109.94 1wfm n ARG 101 Ca -0.06 1.42 -0.06 0.00 -0.92 0.00 0.00 57.85 58.24 1wfm n ARG 101 Cb 0.61 -2.11 -0.04 0.00 0.45 0.00 0.00 32.46 31.37 1wfm n ARG 101 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1wfm s PHE 102 N -5.78 -1.22 -0.63 -0.14 0.08 -1.26 -5.03 117.98 104.00 1wfm s PHE 102 Ca -0.12 0.44 -0.04 0.00 0.12 0.00 0.00 56.93 57.32 1wfm s PHE 102 Cb 0.17 -0.03 -0.05 0.00 -0.57 0.00 0.00 43.02 42.54 1wfm s PHE 102 CO 0.64 -1.02 1.85 0.45 -0.10 0.00 0.00 175.22 177.04 1wfm n SER 103 N 5.26 3.63 -4.84 1.36 2.88 -1.26 -4.83 113.62 115.82 1wfm n SER 103 Ca 0.03 -2.21 -0.37 0.00 -1.33 0.00 0.00 58.87 54.99 1wfm n SER 103 Cb 0.51 -0.92 -0.06 0.00 -0.75 0.00 0.00 64.21 62.98 1wfm n SER 103 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wfm s ARG 104 N 3.61 3.68 -1.17 -1.46 1.70 -1.26 -4.18 118.95 119.86 1wfm s ARG 104 Ca 0.30 -0.09 0.00 0.00 -0.47 0.00 0.00 55.73 55.48 1wfm s ARG 104 Cb 0.08 -3.25 0.00 0.00 -0.57 0.00 0.00 34.95 31.21 1wfm s ARG 104 CO -0.02 0.64 0.00 0.72 -1.08 0.00 0.00 175.30 175.56 1wfm n HIS 105 N 2.37 -0.71 -4.42 5.89 8.25 -1.26 -4.90 115.22 120.44 1wfm n HIS 105 Ca -0.18 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 56.99 1wfm n HIS 105 Cb 0.54 -2.46 -0.17 0.00 1.12 0.00 0.00 29.99 29.03 1wfm n HIS 105 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1wfm s SER 106 N -2.00 2.50 -0.08 0.41 0.01 -1.26 -4.43 113.70 108.85 1wfm s SER 106 Ca 0.00 -0.44 -0.03 0.00 1.31 0.00 0.00 55.95 56.79 1wfm s SER 106 Cb 0.00 -1.12 0.04 0.00 0.21 0.00 0.00 66.02 65.16 1wfm s SER 106 CO 0.00 0.01 0.10 -0.69 0.41 0.00 0.00 173.24 173.07 1wfm s VAL 107 N 1.03 -0.15 0.55 3.43 1.01 -1.26 -4.76 120.40 120.25 1wfm s VAL 107 Ca -0.05 0.28 0.33 0.00 0.00 0.00 0.00 61.98 62.54 1wfm s VAL 107 Cb -0.15 -0.28 0.37 0.00 0.00 0.00 0.00 36.38 36.32 1wfm s VAL 107 CO -0.03 0.07 2.24 0.00 0.00 0.00 0.00 175.10 177.38 1wfm h ALA 108 N 8.41 1.32 0.00 5.51 0.00 0.16 -3.41 119.26 131.25 1wfm h ALA 108 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1wfm h ALA 108 Cb 1.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1wfm h ALA 108 CO 0.18 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.87 1wfm n GLY 109 N -1.06 0.81 3.60 0.00 0.00 -1.19 -4.73 105.19 102.62 1wfm n GLY 109 Ca -0.03 0.41 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 1wfm n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wfm s GLU 110 N 0.00 3.02 0.06 1.61 2.12 -1.26 0.05 118.70 124.30 1wfm s GLU 110 Ca 0.00 -0.50 0.06 0.00 0.36 0.00 0.00 54.97 54.90 1wfm s GLU 110 Cb 0.00 -2.73 -0.03 0.00 0.26 0.00 0.00 34.13 31.64 1wfm s GLU 110 CO 0.00 0.59 -0.17 -1.17 -0.54 0.00 0.00 175.26 173.97 1wfm s LEU 111 N -0.59 2.21 0.01 2.70 0.20 0.50 0.19 118.68 123.91 1wfm s LEU 111 Ca 0.09 -0.55 0.06 0.00 0.69 0.00 0.00 54.13 54.42 1wfm s LEU 111 Cb -0.12 -0.75 -0.03 0.00 -0.43 0.00 0.00 46.19 44.87 1wfm s LEU 111 CO 0.02 0.06 -0.16 -0.13 -0.29 0.00 0.00 176.35 175.84 1wfm s ARG 112 N -1.40 2.23 0.27 1.98 1.81 -1.26 0.69 118.95 123.28 1wfm s ARG 112 Ca 0.04 -0.88 -0.05 0.00 -1.72 0.00 0.00 55.73 53.11 1wfm s ARG 112 Cb -0.09 -2.26 -0.01 0.00 -0.45 0.00 0.00 34.95 32.14 1wfm s ARG 112 CO 0.02 0.57 0.38 -0.51 -0.68 0.00 0.00 175.30 175.08 1wfm s LEU 113 N -1.23 0.85 0.03 2.53 1.43 -0.38 -4.95 118.68 116.97 1wfm s LEU 113 Ca 0.14 -1.29 0.04 0.00 -1.03 0.00 0.00 54.13 51.99 1wfm s LEU 113 Cb -0.11 1.24 -0.02 0.00 0.03 0.00 0.00 46.19 47.33 1wfm s LEU 113 CO 0.04 -1.11 -0.12 -0.83 0.23 0.00 0.00 176.35 174.56 1wfm s GLY 114 N -3.15 0.66 -0.34 -3.19 0.00 -1.26 -2.61 107.32 97.42 1wfm s GLY 114 Ca 0.31 -0.72 0.07 0.00 0.00 0.00 0.00 44.72 44.37 1wfm s GLY 114 CO 0.15 -0.71 1.56 1.04 0.00 0.00 0.00 173.10 175.14 1wfm n LEU 115 N 1.99 4.83 -0.11 0.66 7.99 -1.26 -4.43 117.00 126.67 1wfm n LEU 115 Ca -0.18 -3.84 -0.15 0.00 -0.01 0.00 0.00 56.01 51.83 1wfm n LEU 115 Cb 0.55 -0.68 -0.13 0.00 -0.11 0.00 0.00 43.42 43.05 1wfm n LEU 115 CO 0.23 1.29 -1.25 -0.90 -1.51 0.00 0.00 177.39 175.25 1wfm n ASP 116 N -1.10 1.29 0.00 -1.43 5.68 -1.25 -4.29 116.55 115.44 1wfm n ASP 116 Ca 0.40 -0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.62 1wfm n ASP 116 Cb 1.14 0.06 0.00 0.00 -1.14 0.00 0.00 41.12 41.18 1wfm n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wfm n GLY 117 N 2.06 1.52 0.00 6.12 0.00 -1.26 -4.93 105.19 108.71 1wfm n GLY 117 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1wfm n GLY 117 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wfm n THR 118 N -0.23 0.00 -0.10 2.61 -1.04 -1.26 -4.84 114.28 109.42 1wfm n THR 118 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1wfm n THR 118 Cb 0.00 -0.29 -0.03 0.00 -1.82 0.00 0.00 70.33 68.19 1wfm n THR 118 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1wfm h SER 119 N 0.00 -0.61 -3.63 8.00 0.02 -1.98 -3.39 113.55 111.97 1wfm h SER 119 Ca 0.00 0.09 -0.68 0.00 -0.84 0.00 0.00 61.79 60.36 1wfm h SER 119 Cb 0.00 0.26 -0.30 0.00 0.14 0.00 0.00 62.40 62.50 1wfm h SER 119 CO 0.00 -0.08 -0.84 0.68 -1.14 0.00 0.00 176.83 175.44 1wfm s VAL 120 N -3.74 2.40 0.95 2.27 -7.23 -1.26 -5.05 120.40 108.72 1wfm s VAL 120 Ca -0.04 -0.92 -0.13 0.00 -1.81 0.00 0.00 61.98 59.08 1wfm s VAL 120 Cb 0.03 -1.93 0.16 0.00 0.56 0.00 0.00 36.38 35.20 1wfm s VAL 120 CO 0.18 0.56 1.15 -2.16 -0.31 0.00 0.00 175.10 174.52 1wfm s PRO 121 N 0.07 0.85 0.20 4.82 0.04 -1.26 -4.39 135.00 135.32 1wfm s PRO 121 Ca -0.09 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1wfm s PRO 121 Cb -0.15 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1wfm s PRO 121 CO 0.06 -2.37 0.38 -0.51 0.04 0.00 0.00 177.00 174.59 1wfm s LEU 122 N -6.11 4.24 -1.67 -3.56 1.43 -1.26 -4.17 118.68 107.59 1wfm s LEU 122 Ca 0.66 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 1wfm s LEU 122 Cb -0.13 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1wfm s LEU 122 CO 0.53 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.69 1wfm n GLY 123 N -0.71 1.39 2.77 -3.19 0.00 0.50 -4.90 105.19 101.06 1wfm n GLY 123 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1wfm n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfm s ALA 124 N -2.37 1.66 0.26 4.61 0.00 -1.25 -5.01 121.76 119.65 1wfm s ALA 124 Ca 0.00 -1.70 -0.30 0.00 0.00 0.00 0.00 51.96 49.96 1wfm s ALA 124 Cb 0.00 -1.63 -0.10 0.00 0.00 0.00 0.00 23.12 21.39 1wfm s ALA 124 CO 0.00 -1.63 1.43 0.00 0.00 0.00 0.00 175.76 175.56 1wfm s ALA 125 N 1.55 3.61 0.15 0.00 0.00 -1.26 -4.44 121.76 121.37 1wfm s ALA 125 Ca 0.09 1.34 0.05 0.00 0.00 0.00 0.00 51.96 53.44 1wfm s ALA 125 Cb -0.17 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 1wfm s ALA 125 CO -0.22 -0.75 -0.12 -0.65 0.00 0.00 0.00 175.76 174.02 1wfm s GLN 126 N -0.60 1.08 -0.57 0.00 -0.21 -0.91 -5.00 119.66 113.45 1wfm s GLN 126 Ca 0.58 -1.41 -0.10 0.00 0.02 0.00 0.00 55.36 54.45 1wfm s GLN 126 Cb -0.42 -0.75 0.15 0.00 1.00 0.00 0.00 33.01 32.98 1wfm s GLN 126 CO 0.45 0.11 0.46 -1.58 -2.12 0.00 0.00 175.29 172.61 1wfm s TRP 127 N -2.97 3.47 0.04 0.91 0.52 -1.26 -2.97 118.94 116.68 1wfm s TRP 127 Ca 0.15 -2.00 0.01 0.00 0.02 0.00 0.00 56.10 54.28 1wfm s TRP 127 Cb 0.00 -3.53 -0.04 0.00 -1.15 0.00 0.00 33.47 28.75 1wfm s TRP 127 CO 0.02 -0.97 0.09 0.20 0.02 0.00 0.00 176.95 176.31 1wfm s GLY 128 N 2.30 2.03 0.29 0.98 0.00 -1.13 -4.95 107.32 106.85 1wfm s GLY 128 Ca 0.10 -0.93 -0.10 0.00 0.00 0.00 0.00 44.72 43.79 1wfm s GLY 128 CO -0.02 -0.86 0.63 -0.54 0.00 0.00 0.00 173.10 172.31 1wfm s GLU 129 N -2.08 3.81 0.08 2.90 8.01 -1.26 -0.37 118.70 129.78 1wfm s GLU 129 Ca 0.27 0.34 -0.29 0.00 0.01 0.00 0.00 54.97 55.29 1wfm s GLU 129 Cb -0.12 -2.56 -0.05 0.00 -4.31 0.00 0.00 34.13 27.09 1wfm s GLU 129 CO 0.19 0.20 0.94 -0.51 0.01 0.00 0.00 175.26 176.09 1wfm s LEU 130 N -3.18 4.46 -1.00 1.80 1.43 0.63 -4.80 118.68 118.03 1wfm s LEU 130 Ca 0.49 1.72 -0.05 0.00 -1.03 0.00 0.00 54.13 55.26 1wfm s LEU 130 Cb -0.11 -3.55 0.06 0.00 0.03 0.00 0.00 46.19 42.63 1wfm s LEU 130 CO 0.24 -0.10 2.63 0.29 0.23 0.00 0.00 176.35 179.63 1wfm n LYS 131 N 3.06 3.70 -1.55 1.70 4.76 0.51 -4.73 118.16 125.60 1wfm n LYS 131 Ca 0.03 -2.87 -0.61 0.00 -2.87 0.00 0.00 58.31 51.98 1wfm n LYS 131 Cb 0.50 -2.46 -0.09 0.00 -1.84 0.00 0.00 35.03 31.14 1wfm n LYS 131 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1wfm n THR 132 N 1.65 0.00 -2.67 -0.18 -2.24 -1.26 -4.10 114.28 105.48 1wfm n THR 132 Ca 0.58 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.34 1wfm n THR 132 Cb 0.38 -0.25 0.03 0.00 -2.10 0.00 0.00 70.33 68.40 1wfm n THR 132 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wfm s SER 133 N 1.48 -0.21 0.22 3.42 0.15 -1.26 -4.95 113.70 112.54 1wfm s SER 133 Ca 0.94 -0.25 0.08 0.00 0.70 0.00 0.00 55.95 57.42 1wfm s SER 133 Cb -1.33 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 63.22 1wfm s SER 133 CO 0.67 -0.01 0.02 -0.83 1.20 0.00 0.00 173.24 174.29 1wfm s GLY 134 N 1.03 1.66 0.00 9.45 0.00 -1.26 -4.98 107.32 113.21 1wfm s GLY 134 Ca 0.23 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.46 1wfm s GLY 134 CO -0.11 -1.52 0.13 -1.55 0.00 0.00 0.00 173.10 170.05 1wfm n PRO 135 N -0.54 0.00 -0.35 2.90 -0.04 -1.26 -4.21 135.00 131.50 1wfm n PRO 135 Ca -0.08 0.01 0.10 0.00 -0.04 0.00 0.00 63.50 63.48 1wfm n PRO 135 Cb 0.57 -0.64 0.28 0.00 -0.04 0.00 0.00 33.50 33.68 1wfm n PRO 135 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wfm h SER 136 N 0.00 0.85 0.00 3.54 4.64 -1.97 -3.47 113.55 117.14 1wfm h SER 136 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1wfm h SER 136 Cb 0.00 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1wfm h SER 136 CO 0.00 0.41 0.00 -1.54 -0.87 0.00 0.00 176.83 174.83 1wfm n SER 137 N -4.65 0.00 0.00 4.97 3.41 -1.26 -5.18 113.62 110.92 1wfm n SER 137 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1wfm n SER 137 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1wfm n SER 137 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49