#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 -0.42 0.24 1.61 3.41 -1.26 -4.86 113.62 112.34 1wfm n SER 2 Ca 0.00 0.75 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 1wfm n SER 2 Cb 0.00 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 62.70 1wfm n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wfm n SER 3 N -0.01 -4.29 0.02 4.04 7.64 -1.26 -5.09 113.62 114.67 1wfm n SER 3 Ca 0.12 0.93 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1wfm n SER 3 Cb 0.48 3.97 0.00 0.00 -1.01 0.00 0.00 64.21 67.64 1wfm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfm n GLY 4 N -1.41 -1.82 5.00 0.23 0.00 -1.26 -5.05 105.19 100.88 1wfm n GLY 4 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1wfm n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfm n SER 5 N -2.31 0.00 -4.58 1.61 2.88 -1.26 -4.86 113.62 105.10 1wfm n SER 5 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1wfm n SER 5 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1wfm n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wfm n SER 6 N 2.03 0.83 0.00 -3.46 3.41 -1.26 -4.76 113.62 110.41 1wfm n SER 6 Ca 0.00 1.02 0.00 0.00 -0.26 0.00 0.00 58.87 59.63 1wfm n SER 6 Cb 0.00 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 62.65 1wfm n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfm n GLY 7 N 1.31 -0.78 3.66 5.00 0.00 -1.26 -4.91 105.19 108.22 1wfm n GLY 7 Ca 0.10 0.39 -0.06 0.00 0.00 0.00 0.00 46.02 46.44 1wfm n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfm s SER 8 N 0.00 -0.29 0.19 1.61 1.04 -1.26 -4.61 113.70 110.38 1wfm s SER 8 Ca 0.00 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1wfm s SER 8 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1wfm s SER 8 CO 0.00 -0.90 0.00 1.87 0.98 0.00 0.00 173.24 175.19 1wfm n TRP 9 N -0.40 -1.91 -3.65 5.02 -0.00 -1.26 -5.13 117.44 110.11 1wfm n TRP 9 Ca -0.08 0.39 -0.12 0.00 -0.00 0.00 0.00 57.50 57.69 1wfm n TRP 9 Cb 0.61 0.90 -0.08 0.00 -0.00 0.00 0.00 31.31 32.74 1wfm n TRP 9 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1wfm s ASN 10 N -4.09 -0.72 0.32 5.87 3.84 -1.26 -5.11 114.94 113.78 1wfm s ASN 10 Ca 0.00 1.33 0.00 0.00 0.21 0.00 0.00 52.86 54.40 1wfm s ASN 10 Cb 0.00 1.32 0.00 0.00 -0.55 0.00 0.00 41.25 42.02 1wfm s ASN 10 CO 0.00 -0.23 0.00 0.00 -2.79 0.00 0.00 177.10 174.08 1wfm n GLN 11 N 3.12 -4.17 -4.32 0.43 6.02 -1.26 -5.03 117.38 112.17 1wfm n GLN 11 Ca -0.16 3.02 -0.27 0.00 -0.01 0.00 0.00 57.00 59.58 1wfm n GLN 11 Cb 0.56 -3.33 -0.10 0.00 1.02 0.00 0.00 30.24 28.40 1wfm n GLN 11 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wfm s ALA 12 N -1.92 2.85 0.20 -1.58 0.00 -1.26 -5.01 121.76 115.04 1wfm s ALA 12 Ca 0.00 -1.53 -0.30 0.00 0.00 0.00 0.00 51.96 50.14 1wfm s ALA 12 Cb 0.00 -0.63 -0.08 0.00 0.00 0.00 0.00 23.12 22.41 1wfm s ALA 12 CO 0.00 0.45 1.11 -1.25 0.00 0.00 0.00 175.76 176.07 1wfm s PRO 13 N -2.83 4.59 0.14 0.00 0.04 -1.26 -4.70 135.00 130.98 1wfm s PRO 13 Ca 0.24 1.75 0.05 0.00 0.04 0.00 0.00 61.00 63.08 1wfm s PRO 13 Cb -0.08 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1wfm s PRO 13 CO 0.14 0.09 0.11 0.15 0.04 0.00 0.00 177.00 177.53 1wfm s LYS 14 N -0.58 2.86 -0.27 4.56 1.02 0.25 0.01 119.74 127.59 1wfm s LYS 14 Ca 0.49 -0.84 -0.21 0.00 0.02 0.00 0.00 55.97 55.42 1wfm s LYS 14 Cb -0.30 -2.65 0.07 0.00 -0.52 0.00 0.00 37.83 34.43 1wfm s LYS 14 CO 0.36 0.50 0.69 -1.17 -0.92 0.00 0.00 175.35 174.82 1wfm s LEU 15 N -2.90 -0.76 -0.05 3.17 1.98 0.05 0.99 118.68 121.17 1wfm s LEU 15 Ca 0.30 1.44 0.04 0.00 -2.89 0.00 0.00 54.13 53.02 1wfm s LEU 15 Cb -0.11 2.38 -0.03 0.00 0.66 0.00 0.00 46.19 49.10 1wfm s LEU 15 CO 0.23 -0.24 -0.15 -2.28 -1.89 0.00 0.00 176.35 172.02 1wfm s HIS 16 N 0.80 2.68 -0.06 5.38 5.65 -0.43 0.15 115.29 129.45 1wfm s HIS 16 Ca -0.03 -0.17 -0.05 0.00 0.25 0.00 0.00 55.06 55.05 1wfm s HIS 16 Cb -0.05 -1.62 0.02 0.00 -1.18 0.00 0.00 32.58 29.75 1wfm s HIS 16 CO -0.06 0.18 0.16 1.52 -0.65 0.00 0.00 174.74 175.89 1wfm s TYR 17 N -0.73 -0.18 -0.32 3.88 -0.85 -1.09 -2.77 117.35 115.29 1wfm s TYR 17 Ca 0.11 0.44 -0.07 0.00 -0.52 0.00 0.00 57.07 57.03 1wfm s TYR 17 Cb -0.11 0.05 0.02 0.00 0.38 0.00 0.00 41.96 42.30 1wfm s TYR 17 CO 0.00 -0.10 0.11 0.00 -1.52 0.00 0.00 175.55 174.05 1wfm s LEU 19 N 1.47 4.40 -0.30 0.00 2.01 -1.25 -1.39 118.68 123.62 1wfm s LEU 19 Ca 0.01 0.94 -0.03 0.00 0.01 0.00 0.00 54.13 55.06 1wfm s LEU 19 Cb -0.18 -2.68 0.18 0.00 0.01 0.00 0.00 46.19 43.51 1wfm s LEU 19 CO 0.03 0.17 0.64 -1.81 1.01 0.00 0.00 176.35 176.39 1wfm s ASP 20 N -0.32 -1.29 -0.37 2.29 1.01 -0.92 0.18 116.67 117.25 1wfm s ASP 20 Ca 0.25 0.96 -0.13 0.00 0.71 0.00 0.00 52.55 54.34 1wfm s ASP 20 Cb -0.16 2.14 0.00 0.00 1.01 0.00 0.00 42.92 45.91 1wfm s ASP 20 CO 0.13 -0.24 0.26 -0.47 0.21 0.00 0.00 175.17 175.05 1wfm s TYR 21 N 2.87 3.23 -1.03 4.23 5.04 -1.26 -1.34 117.35 129.08 1wfm s TYR 21 Ca 0.15 -0.48 -0.18 0.00 -2.44 0.00 0.00 57.07 54.12 1wfm s TYR 21 Cb -0.14 -2.51 0.13 0.00 0.35 0.00 0.00 41.96 39.79 1wfm s TYR 21 CO -0.20 -0.50 1.27 0.34 -1.34 0.00 0.00 175.55 175.12 1wfm s ASP 22 N 1.68 6.76 0.45 4.32 -1.08 -1.10 -4.83 116.67 122.87 1wfm s ASP 22 Ca 0.05 -2.30 0.31 0.00 -0.52 0.00 0.00 52.55 50.09 1wfm s ASP 22 Cb -0.18 -2.42 1.43 0.00 -1.46 0.00 0.00 42.92 40.29 1wfm s ASP 22 CO 0.10 -1.00 1.65 0.00 0.52 0.00 0.00 175.17 176.43 1wfm h GLN 24 N 0.11 0.44 -0.08 0.00 4.20 -1.97 -1.69 115.11 116.11 1wfm h GLN 24 Ca 0.79 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.47 1wfm h GLN 24 Cb 2.55 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 30.23 1wfm h GLN 24 CO -0.33 0.29 0.00 1.63 -0.67 0.00 0.00 178.83 179.75 1wfm n LYS 25 N -4.88 2.13 -4.13 1.46 5.02 0.54 -4.93 118.16 113.36 1wfm n LYS 25 Ca 0.01 -1.66 -0.34 0.00 -2.02 0.00 0.00 58.31 54.30 1wfm n LYS 25 Cb 0.07 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 1wfm n LYS 25 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wfm n ALA 26 N 0.98 -1.17 -3.62 7.82 0.00 0.74 -4.88 120.51 120.39 1wfm n ALA 26 Ca 0.16 -0.16 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1wfm n ALA 26 Cb 0.52 -2.18 -0.17 0.00 0.00 0.00 0.00 19.45 17.62 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 -6.80 1.09 0.82 0.00 0.41 -1.20 -1.86 118.70 111.16 1wfm s GLU 27 Ca 0.67 -0.18 -0.11 0.00 -0.41 0.00 0.00 54.97 54.94 1wfm s GLU 27 Cb -0.39 -1.05 0.09 0.00 -1.78 0.00 0.00 34.13 30.99 1wfm s GLU 27 CO 0.82 -0.09 1.09 -1.17 -0.49 0.00 0.00 175.26 175.43 1wfm s LEU 28 N 1.00 2.57 -0.04 1.80 2.96 0.54 -2.73 118.68 124.77 1wfm s LEU 28 Ca -0.09 1.47 -0.04 0.00 -0.22 0.00 0.00 54.13 55.25 1wfm s LEU 28 Cb -0.14 -4.04 0.01 0.00 0.50 0.00 0.00 46.19 42.52 1wfm s LEU 28 CO -0.00 -2.19 0.11 -0.36 -1.32 0.00 0.00 176.35 172.58 1wfm s PHE 29 N -3.03 -0.12 -0.53 5.38 0.40 -0.45 -2.09 117.98 117.54 1wfm s PHE 29 Ca 0.62 0.30 0.06 0.00 -0.60 0.00 0.00 56.93 57.30 1wfm s PHE 29 Cb -0.16 0.03 0.22 0.00 0.51 0.00 0.00 43.02 43.62 1wfm s PHE 29 CO 0.56 -0.06 0.55 0.28 0.70 0.00 0.00 175.22 177.25 1wfm n VAL 30 N 3.07 0.61 -2.11 -0.44 0.31 -1.04 -2.16 118.33 116.58 1wfm n VAL 30 Ca -0.13 -4.44 -0.01 0.00 -0.01 0.00 0.00 64.34 59.74 1wfm n VAL 30 Cb 0.59 -1.99 0.01 0.00 -0.91 0.00 0.00 33.84 31.54 1wfm n VAL 30 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1wfm n THR 31 N 1.61 0.00 -3.59 2.52 -2.24 -0.48 -2.00 114.28 110.10 1wfm n THR 31 Ca 0.25 -0.09 -0.24 0.00 -2.27 0.00 0.00 64.05 61.71 1wfm n THR 31 Cb 0.45 -1.43 0.03 0.00 -2.10 0.00 0.00 70.33 67.28 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 -1.11 -1.29 -3.51 -0.78 5.12 -1.26 0.87 116.66 114.69 1wfm n ARG 32 Ca 0.01 0.73 -0.37 0.00 -1.93 0.00 0.00 57.85 56.28 1wfm n ARG 32 Cb 0.03 -4.00 -0.08 0.00 -1.16 0.00 0.00 32.46 27.25 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 -5.66 4.17 -0.28 0.55 1.43 -1.25 -3.21 118.68 114.43 1wfm s LEU 33 Ca 0.28 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 1wfm s LEU 33 Cb -0.10 -2.35 0.15 0.00 0.03 0.00 0.00 46.19 43.92 1wfm s LEU 33 CO 0.85 0.02 0.39 -1.61 0.23 0.00 0.00 176.35 176.23 1wfm s GLU 34 N 0.98 0.39 0.09 1.70 8.01 -1.11 -2.71 118.70 126.06 1wfm s GLU 34 Ca 0.15 0.21 -0.23 0.00 0.01 0.00 0.00 54.97 55.10 1wfm s GLU 34 Cb -0.14 -0.37 -0.07 0.00 -4.31 0.00 0.00 34.13 29.24 1wfm s GLU 34 CO 0.06 -0.94 0.70 0.00 0.01 0.00 0.00 175.26 175.09 1wfm s ALA 35 N 2.53 3.47 -0.44 5.21 0.00 -1.07 -1.32 121.76 130.13 1wfm s ALA 35 Ca 0.10 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.31 1wfm s ALA 35 Cb -0.13 -2.87 0.14 0.00 0.00 0.00 0.00 23.12 20.26 1wfm s ALA 35 CO -0.27 0.25 0.25 0.08 0.00 0.00 0.00 175.76 176.07 1wfm s VAL 36 N -0.76 1.38 -0.20 0.00 1.01 0.28 -2.45 120.40 119.66 1wfm s VAL 36 Ca 0.34 -2.59 -0.03 0.00 0.00 0.00 0.00 61.98 59.70 1wfm s VAL 36 Cb -0.21 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 1wfm s VAL 36 CO 0.23 -0.91 -0.06 0.42 0.00 0.00 0.00 175.10 174.78 1wfm s THR 37 N 0.31 3.37 0.00 3.92 -4.23 -1.23 0.86 115.64 118.63 1wfm s THR 37 Ca 0.18 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 1wfm s THR 37 Cb -0.23 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1wfm s THR 37 CO -0.01 0.45 0.48 -1.54 -0.54 0.00 0.00 174.62 173.46 1wfm n SER 38 N 4.41 0.00 -4.03 3.99 3.41 -1.26 -4.65 113.62 115.49 1wfm n SER 38 Ca -0.18 0.48 -0.18 0.00 -0.26 0.00 0.00 58.87 58.72 1wfm n SER 38 Cb 0.51 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.32 1wfm n SER 38 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1wfm s ASN 39 N -2.64 1.06 -0.43 4.04 2.47 -1.26 -4.86 114.94 113.31 1wfm s ASN 39 Ca 0.00 -0.19 0.01 0.00 0.42 0.00 0.00 52.86 53.10 1wfm s ASN 39 Cb 0.00 -0.11 0.22 0.00 -1.45 0.00 0.00 41.25 39.92 1wfm s ASN 39 CO 0.00 0.09 0.96 1.41 -3.72 0.00 0.00 177.10 175.85 1wfm n HIS 40 N 2.76 -2.28 -1.43 0.43 8.25 -1.26 -5.13 115.22 116.56 1wfm n HIS 40 Ca -0.14 -1.15 -0.39 0.00 -0.26 0.00 0.00 57.72 55.79 1wfm n HIS 40 Cb 0.57 1.33 0.03 0.00 1.12 0.00 0.00 29.99 33.04 1wfm n HIS 40 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1wfm n ASP 41 N 2.26 -1.44 0.00 0.41 2.03 -1.26 -4.72 116.55 113.83 1wfm n ASP 41 Ca 0.11 0.74 0.00 0.00 0.52 0.00 0.00 54.79 56.16 1wfm n ASP 41 Cb 0.63 -1.11 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 1wfm n ASP 41 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wfm n GLY 42 N 1.90 -1.32 1.98 0.27 0.00 -1.26 -5.01 105.19 101.75 1wfm n GLY 42 Ca 0.11 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 2.45 3.20 -0.02 0.00 -1.26 -5.00 105.19 104.56 1wfm n GLY 43 Ca 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.90 6.78 -0.13 0.00 1.01 -1.26 -4.36 116.67 115.81 1wfm s ASP 45 Ca 0.63 0.92 -0.06 0.00 0.71 0.00 0.00 52.55 54.75 1wfm s ASP 45 Cb -0.12 -2.28 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1wfm s ASP 45 CO 0.54 0.14 0.10 0.00 0.21 0.00 0.00 175.17 176.17 1wfm s TYR 47 N -0.75 0.03 0.18 0.00 1.13 -1.13 -2.76 117.35 114.06 1wfm s TYR 47 Ca 0.13 -0.24 -0.10 0.00 -1.41 0.00 0.00 57.07 55.45 1wfm s TYR 47 Cb -0.12 -0.01 -0.07 0.00 -1.10 0.00 0.00 41.96 40.66 1wfm s TYR 47 CO 0.03 -0.44 0.51 0.08 -2.51 0.00 0.00 175.55 173.22 1wfm s VAL 48 N -2.55 4.96 -0.06 -3.49 1.01 -1.26 -2.80 120.40 116.22 1wfm s VAL 48 Ca -0.05 0.52 -0.02 0.00 0.00 0.00 0.00 61.98 62.42 1wfm s VAL 48 Cb -0.01 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.75 1wfm s VAL 48 CO -0.04 0.08 0.11 -1.58 0.00 0.00 0.00 175.10 173.67 1wfm s GLN 49 N -2.44 0.01 -0.13 2.72 0.74 0.26 -2.81 119.66 118.01 1wfm s GLN 49 Ca 0.42 0.40 0.03 0.00 0.05 0.00 0.00 55.36 56.25 1wfm s GLN 49 Cb -0.13 -0.30 0.00 0.00 1.10 0.00 0.00 33.01 33.68 1wfm s GLN 49 CO 0.20 -0.25 -0.21 0.20 -0.55 0.00 0.00 175.29 174.68 1wfm s GLY 50 N 1.75 1.37 0.07 2.59 0.00 -0.34 0.19 107.32 112.95 1wfm s GLY 50 Ca -0.02 -1.04 0.08 0.00 0.00 0.00 0.00 44.72 43.75 1wfm s GLY 50 CO -0.05 -0.12 -0.20 -0.45 0.00 0.00 0.00 173.10 172.28 1wfm s SER 51 N 0.64 3.68 0.08 1.64 0.15 -0.47 -1.76 113.70 117.67 1wfm s SER 51 Ca -0.11 -0.51 0.08 0.00 0.70 0.00 0.00 55.95 56.11 1wfm s SER 51 Cb -0.16 -0.51 -0.03 0.00 -1.71 0.00 0.00 66.02 63.61 1wfm s SER 51 CO 0.02 0.23 -0.20 -0.69 1.20 0.00 0.00 173.24 173.80 1wfm s VAL 52 N -0.97 1.65 -0.20 4.45 1.01 0.06 -1.55 120.40 124.84 1wfm s VAL 52 Ca 0.15 -1.40 -0.00 0.00 0.00 0.00 0.00 61.98 60.72 1wfm s VAL 52 Cb -0.10 -1.48 0.05 0.00 0.00 0.00 0.00 36.38 34.85 1wfm s VAL 52 CO 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 175.10 175.15 1wfm s ALA 53 N -1.04 1.61 0.40 5.51 0.00 -1.05 0.34 121.76 127.54 1wfm s ALA 53 Ca 0.06 -1.05 0.08 0.00 0.00 0.00 0.00 51.96 51.05 1wfm s ALA 53 Cb -0.10 -1.28 -0.05 0.00 0.00 0.00 0.00 23.12 21.69 1wfm s ALA 53 CO 0.03 -1.06 0.16 0.54 0.00 0.00 0.00 175.76 175.44 1wfm s ASN 54 N 1.57 4.43 0.19 0.00 2.20 0.12 -3.08 114.94 120.36 1wfm s ASN 54 Ca -0.03 -1.05 0.16 0.00 -0.94 0.00 0.00 52.86 51.01 1wfm s ASN 54 Cb -0.17 -0.50 0.79 0.00 -2.00 0.00 0.00 41.25 39.36 1wfm s ASN 54 CO -0.07 -0.50 1.50 0.54 -2.94 0.00 0.00 177.10 175.63 1wfm n ARG 55 N -1.21 0.10 -0.00 3.55 3.00 -1.26 -1.04 116.66 119.80 1wfm n ARG 55 Ca -0.01 0.50 -0.06 0.00 -0.01 0.00 0.00 57.85 58.26 1wfm n ARG 55 Cb 0.64 -1.77 -0.12 0.00 0.00 0.00 0.00 32.46 31.21 1wfm n ARG 55 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1wfm n THR 56 N -1.98 1.48 0.00 0.55 -2.24 -1.26 -5.07 114.28 105.77 1wfm n THR 56 Ca 0.01 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1wfm n THR 56 Cb 0.10 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 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 1.50 -0.53 3.29 3.38 0.00 -0.21 -5.16 105.19 107.46 1wfm n GLY 57 Ca -0.14 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.13 0.18 1.61 1.04 -1.26 0.16 113.70 111.30 1wfm s SER 58 Ca 0.00 -0.43 -0.00 0.00 0.48 0.00 0.00 55.95 56.00 1wfm s SER 58 Cb 0.00 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1wfm s SER 58 CO 0.00 -0.83 0.09 0.68 0.98 0.00 0.00 173.24 174.16 1wfm s VAL 59 N -3.83 0.18 0.13 5.02 -7.23 0.15 -4.96 120.40 109.87 1wfm s VAL 59 Ca 0.04 -1.97 -0.16 0.00 -1.81 0.00 0.00 61.98 58.08 1wfm s VAL 59 Cb 0.03 -2.32 0.03 0.00 0.56 0.00 0.00 36.38 34.68 1wfm s VAL 59 CO -0.11 -0.22 0.42 -1.61 -0.31 0.00 0.00 175.10 173.27 1wfm s GLU 60 N -4.08 1.11 -0.00 4.82 2.02 -1.26 -0.76 118.70 120.54 1wfm s GLU 60 Ca 0.32 -0.73 -0.30 0.00 0.02 0.00 0.00 54.97 54.29 1wfm s GLU 60 Cb 0.07 0.48 0.10 0.00 0.10 0.00 0.00 34.13 34.88 1wfm s GLU 60 CO 0.08 -0.44 1.08 0.00 0.02 0.00 0.00 175.26 176.00 1wfm s ALA 61 N -3.81 -1.94 0.29 5.21 0.00 -0.72 -4.93 121.76 115.86 1wfm s ALA 61 Ca 0.04 0.81 -0.20 0.00 0.00 0.00 0.00 51.96 52.61 1wfm s ALA 61 Cb 0.02 0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.51 1wfm s ALA 61 CO -0.11 -0.86 0.73 1.14 0.00 0.00 0.00 175.76 176.66 1wfm s GLN 62 N -2.83 1.85 0.59 0.00 1.03 -1.26 -1.20 119.66 117.84 1wfm s GLN 62 Ca 0.10 -1.05 0.10 0.00 0.04 0.00 0.00 55.36 54.55 1wfm s GLN 62 Cb 0.00 0.61 0.10 0.00 0.03 0.00 0.00 33.01 33.75 1wfm s GLN 62 CO -0.04 -0.85 0.80 0.25 -2.54 0.00 0.00 175.29 172.92 1wfm n THR 63 N -0.47 0.00 -2.47 3.63 -2.24 -1.12 -4.85 114.28 106.76 1wfm n THR 63 Ca -0.05 -1.99 -0.41 0.00 -2.27 0.00 0.00 64.05 59.33 1wfm n THR 63 Cb 0.59 -0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 68.30 1wfm n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfm s ALA 64 N -2.72 3.39 0.65 6.98 0.00 -1.26 -4.78 121.76 124.02 1wfm s ALA 64 Ca 0.61 0.87 -0.17 0.00 0.00 0.00 0.00 51.96 53.26 1wfm s ALA 64 Cb -0.05 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.63 1wfm s ALA 64 CO 0.39 -0.26 0.39 1.28 0.00 0.00 0.00 175.76 177.55 1wfm n LEU 65 N 2.30 -0.05 -3.76 0.00 7.99 -1.26 -4.91 117.00 117.30 1wfm n LEU 65 Ca 0.03 0.64 -0.13 0.00 -0.01 0.00 0.00 56.01 56.54 1wfm n LEU 65 Cb 0.46 -1.13 -0.10 0.00 -0.11 0.00 0.00 43.42 42.53 1wfm n LEU 65 CO 0.54 -3.43 0.01 -0.54 -1.51 0.00 0.00 177.39 172.47 1wfm s LYS 66 N -2.23 0.46 0.30 3.23 1.02 -1.11 -5.00 119.74 116.41 1wfm s LYS 66 Ca 0.65 0.31 -0.30 0.00 0.02 0.00 0.00 55.97 56.65 1wfm s LYS 66 Cb -0.40 0.22 -0.12 0.00 -0.52 0.00 0.00 37.83 37.01 1wfm s LYS 66 CO 0.59 -0.08 1.51 0.36 -0.92 0.00 0.00 175.35 176.81 1wfm n LYS 67 N 2.51 2.52 -1.67 1.68 0.00 -1.26 -2.30 118.16 119.63 1wfm n LYS 67 Ca -0.15 0.89 -0.45 0.00 -0.00 0.00 0.00 58.31 58.60 1wfm n LYS 67 Cb 0.57 -2.62 -0.04 0.00 -0.00 0.00 0.00 35.03 32.94 1wfm n LYS 67 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1wfm n ARG 68 N 1.65 2.15 -3.80 -1.58 1.85 -1.26 -4.86 116.66 110.81 1wfm n ARG 68 Ca 0.07 0.77 -0.11 0.00 -1.00 0.00 0.00 57.85 57.58 1wfm n ARG 68 Cb 0.36 -2.50 -0.08 0.00 -1.05 0.00 0.00 32.46 29.19 1wfm n ARG 68 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1wfm s GLN 69 N 0.40 0.73 0.57 2.89 -1.52 -1.26 -5.01 119.66 116.45 1wfm s GLN 69 Ca 0.74 -0.51 0.27 0.00 -1.95 0.00 0.00 55.36 53.91 1wfm s GLN 69 Cb -0.66 0.31 1.57 0.00 -0.22 0.00 0.00 33.01 34.01 1wfm s GLN 69 CO 0.42 -0.22 2.07 1.25 -0.25 0.00 0.00 175.29 178.56 1wfm h LEU 70 N 3.44 0.00 -5.74 2.90 7.12 -1.89 -3.25 115.31 117.89 1wfm h LEU 70 Ca -0.32 0.00 -0.39 0.00 0.13 0.00 0.00 57.88 57.30 1wfm h LEU 70 Cb 1.19 0.00 -0.28 0.00 -0.53 0.00 0.00 40.66 41.04 1wfm h LEU 70 CO 0.46 0.00 -0.76 1.57 -0.13 0.00 0.00 178.44 179.58 1wfm n HIS 71 N -3.95 -2.26 -2.66 1.25 -0.00 -1.26 -3.57 115.22 102.76 1wfm n HIS 71 Ca 0.03 -2.42 -0.34 0.00 0.46 0.00 0.00 57.72 55.45 1wfm n HIS 71 Cb 0.38 0.82 -0.05 0.00 -0.12 0.00 0.00 29.99 31.02 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 0.41 4.03 0.02 3.57 2.01 -1.03 -4.93 115.64 119.73 1wfm s THR 72 Ca 0.32 1.30 -0.02 0.00 0.31 0.00 0.00 61.69 63.59 1wfm s THR 72 Cb 0.03 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 1wfm s THR 72 CO -0.13 -0.24 0.01 0.42 -0.69 0.00 0.00 174.62 173.99 1wfm s THR 73 N -2.03 0.12 0.44 -0.82 -4.23 -1.26 -2.61 115.64 105.26 1wfm s THR 73 Ca 0.64 -1.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.16 1wfm s THR 73 Cb -0.14 -0.56 -0.05 0.00 1.34 0.00 0.00 72.50 73.10 1wfm s THR 73 CO 0.18 -0.57 0.02 0.26 -0.54 0.00 0.00 174.62 173.97 1wfm s TRP 74 N -1.97 2.12 -0.19 3.99 0.51 -1.10 -5.04 118.94 117.26 1wfm s TRP 74 Ca -0.11 -0.88 -0.05 0.00 -2.12 0.00 0.00 56.10 52.94 1wfm s TRP 74 Cb -0.06 -1.60 -0.10 0.00 -0.81 0.00 0.00 33.47 30.91 1wfm s TRP 74 CO -0.02 0.24 -0.22 0.39 -0.51 0.00 0.00 176.95 176.83 1wfm n GLU 75 N -1.06 0.43 -2.76 4.98 4.71 -1.26 -4.72 120.64 120.97 1wfm n GLU 75 Ca -0.11 0.15 -0.22 0.00 -0.01 0.00 0.00 57.16 56.98 1wfm n GLU 75 Cb 0.67 -1.26 0.09 0.00 -1.01 0.00 0.00 31.44 29.92 1wfm n GLU 75 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 1wfm s GLU 76 N -2.36 1.96 0.00 3.49 -1.05 -1.26 -4.82 118.70 114.67 1wfm s GLU 76 Ca -0.26 -1.29 0.00 0.00 -0.15 0.00 0.00 54.97 53.26 1wfm s GLU 76 Cb 0.09 -2.46 0.00 0.00 -0.44 0.00 0.00 34.13 31.32 1wfm s GLU 76 CO 0.37 -1.18 0.00 0.41 0.95 0.00 0.00 175.26 175.82 1wfm n GLY 77 N -2.58 5.54 4.01 -3.83 0.00 -1.26 -4.63 105.19 102.44 1wfm n GLY 77 Ca 0.15 -1.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.19 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 3.37 -0.33 0.99 1.43 -0.85 -4.81 118.68 118.48 1wfm s LEU 78 Ca 0.00 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 1wfm s LEU 78 Cb 0.00 -2.32 0.16 0.00 0.03 0.00 0.00 46.19 44.07 1wfm s LEU 78 CO 0.00 -1.10 0.45 -0.69 0.23 0.00 0.00 176.35 175.23 1wfm s VAL 79 N -2.59 -0.63 -0.24 -1.59 1.01 -1.26 -2.49 120.40 112.62 1wfm s VAL 79 Ca 0.59 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 1wfm s VAL 79 Cb -0.08 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 1wfm s VAL 79 CO 0.37 -0.31 0.14 -0.76 0.00 0.00 0.00 175.10 174.53 1wfm s LEU 80 N 2.12 3.96 -0.07 3.92 2.01 -0.89 -4.87 118.68 124.86 1wfm s LEU 80 Ca 0.13 0.05 -0.30 0.00 0.01 0.00 0.00 54.13 54.02 1wfm s LEU 80 Cb -0.12 -2.06 -0.03 0.00 0.01 0.00 0.00 46.19 43.99 1wfm s LEU 80 CO -0.18 0.06 1.23 -2.16 1.01 0.00 0.00 176.35 176.30 1wfm s PRO 81 N 1.11 4.33 0.09 1.29 0.04 -1.26 0.20 135.00 140.79 1wfm s PRO 81 Ca 0.06 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 1wfm s PRO 81 Cb -0.14 -3.59 0.02 0.00 0.04 0.00 0.00 34.50 30.83 1wfm s PRO 81 CO 0.05 -0.50 0.29 -1.17 0.04 0.00 0.00 177.00 175.71 1wfm s LEU 82 N 2.43 0.95 -0.10 -3.56 2.96 -0.78 -4.89 118.68 115.69 1wfm s LEU 82 Ca 0.56 -0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 54.03 1wfm s LEU 82 Cb -0.25 1.38 -0.03 0.00 0.50 0.00 0.00 46.19 47.79 1wfm s LEU 82 CO 0.21 -0.74 0.02 0.00 -1.32 0.00 0.00 176.35 174.52 1wfm s ALA 83 N -3.47 3.34 0.53 5.97 0.00 -1.26 -4.10 121.76 122.77 1wfm s ALA 83 Ca 0.01 -0.79 0.30 0.00 0.00 0.00 0.00 51.96 51.49 1wfm s ALA 83 Cb 0.02 -1.56 1.65 0.00 0.00 0.00 0.00 23.12 23.23 1wfm s ALA 83 CO -0.09 0.55 1.92 1.49 0.00 0.00 0.00 175.76 179.62 1wfm h GLU 84 N 5.31 0.00 0.00 0.00 4.81 -1.94 1.47 114.58 124.23 1wfm h GLU 84 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1wfm h GLU 84 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1wfm h GLU 84 CO 0.56 0.00 -0.38 -0.85 -0.73 0.00 0.00 179.01 177.61 1wfm n GLU 85 N -2.78 0.08 0.00 1.92 0.28 -1.26 -3.46 120.64 115.42 1wfm n GLU 85 Ca -0.02 0.03 0.05 0.00 -0.16 0.00 0.00 57.16 57.06 1wfm n GLU 85 Cb 0.29 -1.56 0.03 0.00 1.43 0.00 0.00 31.44 31.63 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 -1.69 0.55 -0.16 3.44 1.02 0.49 -4.60 120.64 119.69 1wfm n GLU 86 Ca 0.05 -0.97 -0.03 0.00 -0.02 0.00 0.00 57.16 56.19 1wfm n GLU 86 Cb 0.37 -1.15 0.03 0.00 -0.02 0.00 0.00 31.44 30.66 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 1.67 -0.63 -0.71 -4.62 3.38 -1.08 0.88 115.31 114.20 1wfm h LEU 87 Ca 0.00 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1wfm h LEU 87 Cb 0.37 0.37 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1wfm h LEU 87 CO 0.00 -0.21 -0.11 1.55 0.09 0.00 0.00 178.44 179.76 1wfm h PRO 88 N -0.06 0.00 -0.74 1.13 0.13 -1.82 -2.93 132.00 127.71 1wfm h PRO 88 Ca 0.24 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 65.07 1wfm h PRO 88 Cb 0.43 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.38 1wfm h PRO 88 CO -0.55 0.11 0.33 0.25 -0.23 0.00 0.00 178.00 177.91 1wfm n THR 89 N -3.17 2.93 -3.99 1.56 -2.24 0.11 -4.93 114.28 104.55 1wfm n THR 89 Ca 0.02 -1.94 -0.08 0.00 -2.27 0.00 0.00 64.05 59.77 1wfm n THR 89 Cb 0.46 -0.39 -0.09 0.00 -2.10 0.00 0.00 70.33 68.21 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 -3.14 0.15 -0.05 6.98 0.00 0.27 -4.00 121.76 121.97 1wfm s ALA 90 Ca 0.53 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.61 1wfm s ALA 90 Cb 0.44 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.87 1wfm s ALA 90 CO 0.10 -0.36 0.14 0.99 0.00 0.00 0.00 175.76 176.63 1wfm s THR 91 N -3.26 0.01 -0.11 0.00 2.01 -1.18 -4.26 115.64 108.85 1wfm s THR 91 Ca 0.01 -0.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.94 1wfm s THR 91 Cb 0.03 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.29 1wfm s THR 91 CO -0.08 -0.03 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.55 1wfm s LEU 92 N -0.03 3.19 -0.05 4.42 1.98 -1.16 -2.54 118.68 124.50 1wfm s LEU 92 Ca -0.01 -0.08 0.02 0.00 -2.89 0.00 0.00 54.13 51.16 1wfm s LEU 92 Cb -0.02 -1.73 0.02 0.00 0.66 0.00 0.00 46.19 45.12 1wfm s LEU 92 CO 0.00 0.26 -0.08 -0.89 -1.89 0.00 0.00 176.35 173.75 1wfm s THR 93 N -0.20 0.79 0.19 3.68 2.01 -0.60 0.30 115.64 121.81 1wfm s THR 93 Ca 0.03 -0.29 -0.09 0.00 0.31 0.00 0.00 61.69 61.65 1wfm s THR 93 Cb -0.13 -0.75 -0.07 0.00 0.01 0.00 0.00 72.50 71.57 1wfm s THR 93 CO 0.03 0.27 0.49 -0.76 -0.69 0.00 0.00 174.62 173.96 1wfm s LEU 94 N 0.68 4.22 -0.13 4.42 1.02 0.44 -1.36 118.68 127.97 1wfm s LEU 94 Ca -0.11 0.82 -0.07 0.00 0.02 0.00 0.00 54.13 54.79 1wfm s LEU 94 Cb -0.14 -3.50 0.05 0.00 0.02 0.00 0.00 46.19 42.62 1wfm s LEU 94 CO 0.02 -0.01 0.31 -0.89 0.02 0.00 0.00 176.35 175.80 1wfm s THR 95 N -1.72 -0.03 -0.48 5.49 2.01 0.50 0.18 115.64 121.60 1wfm s THR 95 Ca 0.44 0.11 -0.08 0.00 0.31 0.00 0.00 61.69 62.48 1wfm s THR 95 Cb -0.12 -0.47 0.12 0.00 0.01 0.00 0.00 72.50 72.05 1wfm s THR 95 CO 0.22 0.05 0.34 -0.22 -0.69 0.00 0.00 174.62 174.31 1wfm s LEU 96 N 1.20 5.62 0.26 4.42 2.96 0.37 0.91 118.68 134.43 1wfm s LEU 96 Ca -0.08 -2.03 0.04 0.00 -0.22 0.00 0.00 54.13 51.84 1wfm s LEU 96 Cb -0.09 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 1wfm s LEU 96 CO -0.09 -0.64 0.39 -0.13 -1.32 0.00 0.00 176.35 174.56 1wfm s ARG 97 N 1.18 3.43 -0.15 1.98 3.00 -1.12 0.20 118.95 127.47 1wfm s ARG 97 Ca 0.07 -0.71 -0.02 0.00 0.00 0.00 0.00 55.73 55.08 1wfm s ARG 97 Cb -0.25 -2.85 -0.02 0.00 0.00 0.00 0.00 34.95 31.83 1wfm s ARG 97 CO -0.02 0.37 -0.08 0.95 0.00 0.00 0.00 175.30 176.53 1wfm s THR 98 N -2.04 3.50 -0.80 0.02 -4.23 -1.26 -2.82 115.64 108.01 1wfm s THR 98 Ca 0.35 -0.50 -0.23 0.00 -1.18 0.00 0.00 61.69 60.14 1wfm s THR 98 Cb -0.09 -2.52 -0.18 0.00 1.34 0.00 0.00 72.50 71.06 1wfm s THR 98 CO 0.30 0.50 2.39 0.00 -0.54 0.00 0.00 174.62 177.27 1wfm s ASP 100 N 8.59 0.22 0.03 0.00 2.15 -1.26 -4.35 116.67 122.05 1wfm s ASP 100 Ca 1.07 -0.87 -0.09 0.00 0.43 0.00 0.00 52.55 53.08 1wfm s ASP 100 Cb -0.41 0.32 -0.04 0.00 -0.30 0.00 0.00 42.92 42.49 1wfm s ASP 100 CO 0.27 -0.73 1.15 -0.09 -0.17 0.00 0.00 175.17 175.59 1wfm h ARG 101 N 2.82 -0.20 0.00 4.34 2.43 -2.05 -3.38 114.38 118.34 1wfm h ARG 101 Ca -0.34 0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 58.62 1wfm h ARG 101 Cb 1.19 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.75 1wfm h ARG 101 CO 0.57 -0.13 -1.86 1.19 -1.51 0.00 0.00 179.97 178.23 1wfm n PHE 102 N -3.24 0.00 -2.72 2.20 3.72 -1.26 -5.05 117.46 111.11 1wfm n PHE 102 Ca -0.02 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.28 1wfm n PHE 102 Cb 0.11 -0.59 0.05 0.00 -0.94 0.00 0.00 39.48 38.11 1wfm n PHE 102 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1wfm n SER 103 N -2.79 -3.01 -4.03 4.37 7.64 -1.26 -4.95 113.62 109.59 1wfm n SER 103 Ca -0.25 -0.38 -0.36 0.00 1.01 0.00 0.00 58.87 58.89 1wfm n SER 103 Cb 0.82 -3.22 0.05 0.00 -1.01 0.00 0.00 64.21 60.85 1wfm n SER 103 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wfm n ARG 104 N -2.71 -0.04 -0.88 1.43 5.12 -1.26 -4.69 116.66 113.62 1wfm n ARG 104 Ca -0.12 -0.01 0.06 0.00 -1.93 0.00 0.00 57.85 55.85 1wfm n ARG 104 Cb 0.59 -1.06 -0.03 0.00 -1.16 0.00 0.00 32.46 30.79 1wfm n ARG 104 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1wfm n HIS 105 N -2.73 -2.40 -0.67 -1.55 8.25 -1.26 -4.90 115.22 109.97 1wfm n HIS 105 Ca -0.01 1.31 -0.32 0.00 -0.26 0.00 0.00 57.72 58.44 1wfm n HIS 105 Cb 0.59 -2.20 0.18 0.00 1.12 0.00 0.00 29.99 29.67 1wfm n HIS 105 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1wfm n SER 106 N -2.83 -2.31 -4.26 0.41 3.41 -1.26 -4.90 113.62 101.88 1wfm n SER 106 Ca -0.03 -0.09 -0.33 0.00 -0.26 0.00 0.00 58.87 58.15 1wfm n SER 106 Cb 0.35 -0.99 0.15 0.00 -0.26 0.00 0.00 64.21 63.46 1wfm n SER 106 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1wfm n VAL 107 N -4.41 0.00 0.45 -3.33 0.24 -1.26 -4.81 118.33 105.20 1wfm n VAL 107 Ca 0.01 -0.26 0.12 0.00 -2.04 0.00 0.00 64.34 62.17 1wfm n VAL 107 Cb 0.61 -0.53 0.47 0.00 -1.47 0.00 0.00 33.84 32.92 1wfm n VAL 107 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wfm n ALA 108 N -4.23 1.77 0.00 2.33 0.00 0.52 -4.76 120.51 116.15 1wfm n ALA 108 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1wfm n ALA 108 Cb 0.63 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1wfm n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wfm n GLY 109 N 0.24 1.73 3.43 0.00 0.00 -1.11 -4.74 105.19 104.73 1wfm n GLY 109 Ca 0.03 0.34 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 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 2.33 0.12 1.61 2.12 -1.25 0.14 118.70 123.77 1wfm s GLU 110 Ca 0.00 -0.80 0.06 0.00 0.36 0.00 0.00 54.97 54.59 1wfm s GLU 110 Cb 0.00 -2.26 -0.04 0.00 0.26 0.00 0.00 34.13 32.10 1wfm s GLU 110 CO 0.00 0.59 -0.15 -1.17 -0.54 0.00 0.00 175.26 173.99 1wfm s LEU 111 N -0.81 2.38 0.08 2.70 0.20 0.48 0.20 118.68 123.91 1wfm s LEU 111 Ca 0.12 -0.77 0.09 0.00 0.69 0.00 0.00 54.13 54.26 1wfm s LEU 111 Cb -0.10 -0.61 -0.03 0.00 -0.43 0.00 0.00 46.19 45.01 1wfm s LEU 111 CO 0.01 -0.10 -0.24 -0.60 -0.29 0.00 0.00 176.35 175.13 1wfm s ARG 112 N -2.45 1.49 0.28 1.98 6.06 -1.26 0.17 118.95 125.22 1wfm s ARG 112 Ca 0.08 -1.14 -0.07 0.00 -2.50 0.00 0.00 55.73 52.09 1wfm s ARG 112 Cb -0.06 -1.75 -0.01 0.00 0.06 0.00 0.00 34.95 33.19 1wfm s ARG 112 CO 0.03 0.44 0.44 -0.51 -2.50 0.00 0.00 175.30 173.20 1wfm s LEU 113 N -1.54 0.68 -0.01 -0.88 1.43 0.15 -4.92 118.68 113.58 1wfm s LEU 113 Ca 0.10 -1.20 0.03 0.00 -1.03 0.00 0.00 54.13 52.04 1wfm s LEU 113 Cb -0.10 1.49 -0.01 0.00 0.03 0.00 0.00 46.19 47.61 1wfm s LEU 113 CO 0.03 -1.17 -0.11 -0.83 0.23 0.00 0.00 176.35 174.50 1wfm s GLY 114 N -3.12 0.55 -0.12 -3.19 0.00 -1.26 -2.97 107.32 97.21 1wfm s GLY 114 Ca 0.27 -0.46 0.19 0.00 0.00 0.00 0.00 44.72 44.72 1wfm s GLY 114 CO 0.14 -0.34 1.65 1.04 0.00 0.00 0.00 173.10 175.59 1wfm n LEU 115 N 2.91 4.86 0.11 0.66 7.99 -1.26 -4.04 117.00 128.23 1wfm n LEU 115 Ca -0.15 -2.46 0.08 0.00 -0.01 0.00 0.00 56.01 53.48 1wfm n LEU 115 Cb 0.56 -0.59 0.01 0.00 -0.11 0.00 0.00 43.42 43.28 1wfm n LEU 115 CO 0.25 0.82 0.10 -2.24 -1.51 0.00 0.00 177.39 174.81 1wfm h ASP 116 N 4.20 0.00 -0.22 -1.43 3.04 -1.85 -3.41 116.42 116.75 1wfm h ASP 116 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1wfm h ASP 116 Cb 1.48 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.77 1wfm h ASP 116 CO 0.24 0.18 0.00 0.61 -2.04 0.00 0.00 179.24 178.23 1wfm n GLY 117 N 1.22 1.10 0.00 7.15 0.00 -1.26 -4.94 105.19 108.47 1wfm n GLY 117 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.92 0.00 -0.37 2.61 -1.04 -1.26 -4.82 114.28 108.48 1wfm n THR 118 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 1wfm n THR 118 Cb 0.14 -0.46 -0.04 0.00 -1.82 0.00 0.00 70.33 68.15 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 -1.79 -3.88 8.00 0.02 -1.97 -3.39 113.55 110.53 1wfm h SER 119 Ca 0.00 0.31 -0.37 0.00 -0.84 0.00 0.00 61.79 60.89 1wfm h SER 119 Cb 0.00 0.84 -0.30 0.00 0.14 0.00 0.00 62.40 63.09 1wfm h SER 119 CO 0.00 -0.27 -0.77 0.68 -1.14 0.00 0.00 176.83 175.33 1wfm s VAL 120 N -5.72 0.57 0.94 2.27 -7.23 -1.26 -5.00 120.40 104.97 1wfm s VAL 120 Ca -0.13 -0.28 -0.13 0.00 -1.81 0.00 0.00 61.98 59.63 1wfm s VAL 120 Cb 0.15 -0.50 0.16 0.00 0.56 0.00 0.00 36.38 36.75 1wfm s VAL 120 CO 0.66 0.17 1.15 -2.16 -0.31 0.00 0.00 175.10 174.62 1wfm s PRO 121 N 0.02 0.87 0.24 4.82 0.04 -1.26 -4.41 135.00 135.32 1wfm s PRO 121 Ca 0.00 0.18 0.01 0.00 0.04 0.00 0.00 61.00 61.23 1wfm s PRO 121 Cb -0.05 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1wfm s PRO 121 CO -0.00 -2.36 0.41 -0.51 0.04 0.00 0.00 177.00 174.58 1wfm s LEU 122 N -6.10 4.21 -1.65 -3.56 1.43 -1.26 -4.19 118.68 107.56 1wfm s LEU 122 Ca 0.65 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 1wfm s LEU 122 Cb -0.13 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1wfm s LEU 122 CO 0.53 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.63 1wfm n GLY 123 N -1.06 1.22 2.91 -3.19 0.00 0.48 -4.90 105.19 100.65 1wfm n GLY 123 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.42 2.33 -0.24 4.61 0.00 -1.25 -5.02 121.76 119.77 1wfm s ALA 124 Ca 0.00 -2.12 -0.29 0.00 0.00 0.00 0.00 51.96 49.55 1wfm s ALA 124 Cb 0.00 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 1wfm s ALA 124 CO 0.00 -1.63 1.48 0.00 0.00 0.00 0.00 175.76 175.61 1wfm s ALA 125 N 1.20 3.34 0.05 0.00 0.00 -1.26 -4.44 121.76 120.64 1wfm s ALA 125 Ca 0.09 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.41 1wfm s ALA 125 Cb -0.18 -3.81 -0.02 0.00 0.00 0.00 0.00 23.12 19.10 1wfm s ALA 125 CO -0.14 -1.83 -0.10 1.14 0.00 0.00 0.00 175.76 174.83 1wfm s GLN 126 N 4.40 0.63 0.71 0.00 0.00 -1.20 -5.02 119.66 119.17 1wfm s GLN 126 Ca 0.65 -0.78 -0.11 0.00 -0.00 0.00 0.00 55.36 55.11 1wfm s GLN 126 Cb -0.22 -0.48 0.01 0.00 0.00 0.00 0.00 33.01 32.32 1wfm s GLN 126 CO 0.26 0.10 1.09 -1.58 0.00 0.00 0.00 175.29 175.17 1wfm s TRP 127 N -1.26 3.32 -0.28 9.60 0.52 -1.26 -2.69 118.94 126.89 1wfm s TRP 127 Ca -0.07 1.06 -0.17 0.00 0.02 0.00 0.00 56.10 56.95 1wfm s TRP 127 Cb -0.09 -3.06 0.10 0.00 -1.15 0.00 0.00 33.47 29.27 1wfm s TRP 127 CO 0.01 -1.18 0.80 0.20 0.02 0.00 0.00 176.95 176.80 1wfm s GLY 128 N -4.33 -0.40 0.23 0.98 0.00 0.39 -4.91 107.32 99.27 1wfm s GLY 128 Ca 0.58 2.65 -0.30 0.00 0.00 0.00 0.00 44.72 47.66 1wfm s GLY 128 CO 0.52 2.41 1.25 1.85 0.00 0.00 0.00 173.10 179.13 1wfm s GLU 129 N 1.41 4.45 0.08 2.90 2.12 -1.26 -0.77 118.70 127.63 1wfm s GLU 129 Ca -0.09 2.00 -0.30 0.00 0.36 0.00 0.00 54.97 56.95 1wfm s GLU 129 Cb -0.05 -3.18 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 1wfm s GLU 129 CO -0.17 -0.13 1.05 -0.51 -0.54 0.00 0.00 175.26 174.97 1wfm s LEU 130 N -0.67 4.43 -1.23 2.70 1.43 0.10 -4.84 118.68 120.60 1wfm s LEU 130 Ca 0.52 1.87 -0.05 0.00 -1.03 0.00 0.00 54.13 55.44 1wfm s LEU 130 Cb -0.35 -3.58 0.19 0.00 0.03 0.00 0.00 46.19 42.47 1wfm s LEU 130 CO 0.41 -0.24 2.04 0.29 0.23 0.00 0.00 176.35 179.08 1wfm n LYS 131 N 3.26 4.52 -0.32 1.70 4.76 0.55 -4.50 118.16 128.13 1wfm n LYS 131 Ca 0.05 -3.85 0.16 0.00 -2.87 0.00 0.00 58.31 51.80 1wfm n LYS 131 Cb 0.48 -2.65 0.31 0.00 -1.84 0.00 0.00 35.03 31.33 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 1.70 -0.39 -2.27 -0.18 -2.24 -1.26 -3.87 114.28 105.77 1wfm n THR 132 Ca 0.49 2.00 -0.42 0.00 -2.27 0.00 0.00 64.05 63.86 1wfm n THR 132 Cb 0.29 -2.97 -0.03 0.00 -2.10 0.00 0.00 70.33 65.52 1wfm n THR 132 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wfm s SER 133 N -4.94 6.88 0.00 3.42 1.04 -1.26 -4.65 113.70 114.18 1wfm s SER 133 Ca -0.11 2.02 0.00 0.00 0.48 0.00 0.00 55.95 58.33 1wfm s SER 133 Cb 0.28 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.84 1wfm s SER 133 CO 0.72 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1wfm n GLY 134 N 3.65 4.16 3.82 7.32 0.00 -1.26 -4.74 105.19 118.14 1wfm n GLY 134 Ca 0.13 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 1wfm n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfm s PRO 135 N -3.12 2.69 -0.38 1.61 0.04 -1.26 -4.82 135.00 129.76 1wfm s PRO 135 Ca 0.00 0.86 -0.12 0.00 0.04 0.00 0.00 61.00 61.78 1wfm s PRO 135 Cb 0.00 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.59 1wfm s PRO 135 CO 0.00 -1.25 0.24 0.45 0.04 0.00 0.00 177.00 176.48 1wfm s SER 136 N -3.83 5.87 0.00 6.66 0.15 -1.26 -5.00 113.70 116.29 1wfm s SER 136 Ca 0.59 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1wfm s SER 136 Cb -0.14 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1wfm s SER 136 CO 0.55 -0.40 0.00 -0.24 1.20 0.00 0.00 173.24 174.35 1wfm n SER 137 N 5.06 0.00 0.00 5.45 2.88 -1.26 -5.14 113.62 120.61 1wfm n SER 137 Ca -0.12 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.50 1wfm n SER 137 Cb 0.47 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 64.37 1wfm n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42