#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 0.00 0.00 1.61 2.88 -1.26 -5.02 113.62 111.84 1wfm n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wfm n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wfm n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wfm n SER 3 N 0.00 0.00 -1.15 -3.46 7.64 -1.26 -4.89 113.62 110.50 1wfm n SER 3 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.95 1wfm n SER 3 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.00 -1.24 0.00 0.23 0.00 -1.26 -5.04 105.19 97.87 1wfm n GLY 4 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.44 0.00 0.00 1.61 2.88 -1.26 -5.19 113.62 108.21 1wfm n SER 5 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wfm n SER 5 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 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 0.00 0.00 -4.52 -3.46 3.41 -1.26 -4.93 113.62 102.86 1wfm n SER 6 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 1wfm n SER 6 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 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 -0.09 1.97 3.63 5.00 0.00 -1.26 -5.14 105.19 109.31 1wfm n GLY 7 Ca 0.00 -2.21 -0.03 0.00 0.00 0.00 0.00 46.02 43.78 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 -4.08 -0.05 0.00 1.61 0.15 -1.26 -5.06 113.70 105.02 1wfm s SER 8 Ca 0.52 0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1wfm s SER 8 Cb -0.04 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1wfm s SER 8 CO 0.33 -0.08 0.00 1.87 1.20 0.00 0.00 173.24 176.56 1wfm n TRP 9 N 0.06 0.00 0.00 3.44 -0.00 -1.26 -5.08 117.44 114.60 1wfm n TRP 9 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.53 1wfm n TRP 9 Cb 0.57 -1.98 0.00 0.00 -0.00 0.00 0.00 31.31 29.90 1wfm n TRP 9 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1wfm n ASN 10 N -1.23 0.00 -4.19 5.87 6.94 -1.26 -5.16 115.26 116.23 1wfm n ASN 10 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.21 1wfm n ASN 10 Cb 0.49 0.00 0.09 0.00 -2.36 0.00 0.00 39.78 38.00 1wfm n ASN 10 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1wfm n GLN 11 N -0.10 -0.35 -3.68 -3.83 7.27 -1.26 -4.97 117.38 110.46 1wfm n GLN 11 Ca 0.00 -0.08 -0.28 0.00 0.07 0.00 0.00 57.00 56.71 1wfm n GLN 11 Cb 0.00 -1.40 -0.03 0.00 2.41 0.00 0.00 30.24 31.21 1wfm n GLN 11 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wfm s ALA 12 N -2.17 3.82 -0.14 1.69 0.00 -1.26 -5.05 121.76 118.65 1wfm s ALA 12 Ca 0.48 -0.80 -0.29 0.00 0.00 0.00 0.00 51.96 51.34 1wfm s ALA 12 Cb -0.14 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 1wfm s ALA 12 CO 0.73 0.44 1.27 -1.25 0.00 0.00 0.00 175.76 176.94 1wfm s PRO 13 N -3.30 4.25 -0.07 0.00 0.04 -1.26 -4.83 135.00 129.83 1wfm s PRO 13 Ca 0.39 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1wfm s PRO 13 Cb -0.11 -3.73 -0.03 0.00 0.04 0.00 0.00 34.50 30.66 1wfm s PRO 13 CO 0.29 -0.67 -0.05 0.15 0.04 0.00 0.00 177.00 176.76 1wfm s LYS 14 N 3.29 2.79 -0.16 4.56 1.02 -0.81 -0.01 119.74 130.42 1wfm s LYS 14 Ca 0.56 -0.52 -0.04 0.00 0.02 0.00 0.00 55.97 55.99 1wfm s LYS 14 Cb -0.23 -2.63 0.06 0.00 -0.52 0.00 0.00 37.83 34.51 1wfm s LYS 14 CO 0.16 0.67 0.06 -1.17 -0.92 0.00 0.00 175.35 174.16 1wfm s LEU 15 N -0.83 0.68 0.24 3.17 2.96 -0.58 0.18 118.68 124.49 1wfm s LEU 15 Ca 0.13 -0.60 -0.30 0.00 -0.22 0.00 0.00 54.13 53.13 1wfm s LEU 15 Cb -0.11 -0.39 -0.09 0.00 0.50 0.00 0.00 46.19 46.10 1wfm s LEU 15 CO 0.02 -0.31 0.94 -2.28 -1.32 0.00 0.00 176.35 173.40 1wfm s HIS 16 N 2.02 3.98 -0.26 5.38 5.65 -0.89 -3.37 115.29 127.80 1wfm s HIS 16 Ca 0.01 1.91 -0.21 0.00 0.25 0.00 0.00 55.06 57.03 1wfm s HIS 16 Cb -0.16 -2.98 0.07 0.00 -1.18 0.00 0.00 32.58 28.33 1wfm s HIS 16 CO -0.08 0.44 0.67 1.52 -0.65 0.00 0.00 174.74 176.64 1wfm s TYR 17 N -1.14 -0.83 -0.33 3.88 -0.85 -1.17 -2.94 117.35 113.97 1wfm s TYR 17 Ca 0.41 1.88 -0.04 0.00 -0.52 0.00 0.00 57.07 58.80 1wfm s TYR 17 Cb -0.26 0.36 0.05 0.00 0.38 0.00 0.00 41.96 42.49 1wfm s TYR 17 CO 0.32 -0.40 0.08 0.00 -1.52 0.00 0.00 175.55 174.02 1wfm s LEU 19 N 1.33 4.09 -0.20 0.00 2.01 -1.25 -1.52 118.68 123.14 1wfm s LEU 19 Ca -0.02 0.99 -0.04 0.00 0.01 0.00 0.00 54.13 55.07 1wfm s LEU 19 Cb -0.20 -3.13 0.10 0.00 0.01 0.00 0.00 46.19 42.97 1wfm s LEU 19 CO 0.01 -0.47 0.26 -0.62 1.01 0.00 0.00 176.35 176.54 1wfm s ASP 20 N 1.34 0.96 -0.36 2.29 2.15 -0.72 0.19 116.67 122.52 1wfm s ASP 20 Ca 0.34 0.00 -0.15 0.00 0.43 0.00 0.00 52.55 53.16 1wfm s ASP 20 Cb -0.15 0.60 -0.00 0.00 -0.30 0.00 0.00 42.92 43.06 1wfm s ASP 20 CO 0.08 -0.31 0.36 -0.47 -0.17 0.00 0.00 175.17 174.66 1wfm s TYR 21 N 2.39 3.21 -1.04 -5.34 5.04 -1.26 -1.85 117.35 118.50 1wfm s TYR 21 Ca 0.07 -0.17 -0.17 0.00 -2.44 0.00 0.00 57.07 54.36 1wfm s TYR 21 Cb -0.15 -2.69 0.14 0.00 0.35 0.00 0.00 41.96 39.61 1wfm s TYR 21 CO -0.12 -0.50 1.27 0.34 -1.34 0.00 0.00 175.55 175.20 1wfm s ASP 22 N 1.74 6.77 0.44 4.32 -1.08 -1.11 -4.83 116.67 122.93 1wfm s ASP 22 Ca 0.11 -2.34 0.30 0.00 -0.52 0.00 0.00 52.55 50.10 1wfm s ASP 22 Cb -0.17 -2.42 1.41 0.00 -1.46 0.00 0.00 42.92 40.29 1wfm s ASP 22 CO 0.12 -0.99 1.64 0.00 0.52 0.00 0.00 175.17 176.46 1wfm h GLN 24 N 0.10 0.36 -0.03 0.00 4.20 -1.97 -1.55 115.11 116.23 1wfm h GLN 24 Ca 0.80 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.49 1wfm h GLN 24 Cb 2.53 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 30.23 1wfm h GLN 24 CO -0.39 0.24 0.00 1.63 -0.67 0.00 0.00 178.83 179.64 1wfm n LYS 25 N -4.94 2.06 -4.19 1.46 5.02 0.55 -4.93 118.16 113.19 1wfm n LYS 25 Ca 0.01 -1.54 -0.36 0.00 -2.02 0.00 0.00 58.31 54.40 1wfm n LYS 25 Cb 0.10 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 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 0.88 -1.18 -3.60 7.82 0.00 0.75 -4.88 120.51 120.30 1wfm n ALA 26 Ca 0.16 -0.15 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 1wfm n ALA 26 Cb 0.50 -2.31 -0.16 0.00 0.00 0.00 0.00 19.45 17.47 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 -6.86 1.08 0.81 0.00 0.41 -1.20 -2.06 118.70 110.88 1wfm s GLU 27 Ca 0.70 -0.18 -0.11 0.00 -0.41 0.00 0.00 54.97 54.96 1wfm s GLU 27 Cb -0.40 -1.03 0.08 0.00 -1.78 0.00 0.00 34.13 30.99 1wfm s GLU 27 CO 0.86 -0.07 1.09 -1.17 -0.49 0.00 0.00 175.26 175.47 1wfm s LEU 28 N 0.93 2.67 -0.09 1.80 1.98 0.46 -2.75 118.68 123.69 1wfm s LEU 28 Ca -0.11 1.56 -0.08 0.00 -2.89 0.00 0.00 54.13 52.62 1wfm s LEU 28 Cb -0.15 -4.16 0.02 0.00 0.66 0.00 0.00 46.19 42.56 1wfm s LEU 28 CO 0.00 -2.17 0.22 -0.36 -1.89 0.00 0.00 176.35 172.16 1wfm s PHE 29 N -2.99 -0.25 -0.57 5.38 0.40 -0.77 -2.08 117.98 117.10 1wfm s PHE 29 Ca 0.61 0.61 0.05 0.00 -0.60 0.00 0.00 56.93 57.61 1wfm s PHE 29 Cb -0.16 0.08 0.20 0.00 0.51 0.00 0.00 43.02 43.64 1wfm s PHE 29 CO 0.56 -0.13 0.51 0.28 0.70 0.00 0.00 175.22 177.14 1wfm n VAL 30 N 3.05 0.69 -1.80 -0.44 0.31 0.35 -1.76 118.33 118.73 1wfm n VAL 30 Ca -0.13 -4.43 -0.02 0.00 -0.01 0.00 0.00 64.34 59.74 1wfm n VAL 30 Cb 0.58 -1.99 0.01 0.00 -0.91 0.00 0.00 33.84 31.53 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 1.90 0.00 -2.68 2.52 -2.24 -0.57 -1.39 114.28 111.82 1wfm n THR 31 Ca 0.25 -0.10 -0.21 0.00 -2.27 0.00 0.00 64.05 61.72 1wfm n THR 31 Cb 0.42 -1.59 0.01 0.00 -2.10 0.00 0.00 70.33 67.08 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 -1.16 -3.17 -1.83 -0.78 5.12 -1.26 0.19 116.66 113.76 1wfm n ARG 32 Ca 0.01 0.96 -0.38 0.00 -1.93 0.00 0.00 57.85 56.52 1wfm n ARG 32 Cb 0.04 -5.71 -0.03 0.00 -1.16 0.00 0.00 32.46 25.60 1wfm n ARG 32 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1wfm s LEU 33 N -6.29 3.36 -0.38 0.55 2.96 -1.25 -3.42 118.68 114.20 1wfm s LEU 33 Ca 0.14 0.75 0.02 0.00 -0.22 0.00 0.00 54.13 54.82 1wfm s LEU 33 Cb -0.06 -2.63 0.15 0.00 0.50 0.00 0.00 46.19 44.15 1wfm s LEU 33 CO 0.17 -2.51 0.26 -1.61 -1.32 0.00 0.00 176.35 171.34 1wfm s GLU 34 N 7.40 0.75 0.58 1.98 2.02 -1.15 -2.98 118.70 127.28 1wfm s GLU 34 Ca 0.81 -1.66 -0.20 0.00 0.02 0.00 0.00 54.97 53.95 1wfm s GLU 34 Cb -0.16 -1.45 -0.04 0.00 0.10 0.00 0.00 34.13 32.59 1wfm s GLU 34 CO 0.24 -1.26 1.24 0.00 0.02 0.00 0.00 175.26 175.49 1wfm s ALA 35 N 0.66 2.61 -0.46 5.21 0.00 -0.71 -2.10 121.76 126.96 1wfm s ALA 35 Ca 0.23 1.08 0.07 0.00 0.00 0.00 0.00 51.96 53.33 1wfm s ALA 35 Cb -0.14 -3.47 0.23 0.00 0.00 0.00 0.00 23.12 19.73 1wfm s ALA 35 CO -0.06 -1.19 0.53 0.28 0.00 0.00 0.00 175.76 175.32 1wfm n VAL 36 N -1.42 -0.05 -3.64 0.00 0.31 0.49 -2.51 118.33 111.51 1wfm n VAL 36 Ca 0.13 -4.19 -0.03 0.00 -0.01 0.00 0.00 64.34 60.24 1wfm n VAL 36 Cb 0.49 -1.94 -0.05 0.00 -0.91 0.00 0.00 33.84 31.42 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 -1.21 -0.59 -0.32 2.52 -1.32 -1.26 -1.92 115.64 111.54 1wfm s THR 37 Ca 0.35 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.79 1wfm s THR 37 Cb 0.13 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.30 1wfm s THR 37 CO -0.11 0.00 0.89 -0.55 -2.21 0.00 0.00 174.62 172.64 1wfm s SER 38 N 2.39 -0.82 0.22 8.08 0.15 -1.26 -4.44 113.70 118.02 1wfm s SER 38 Ca -0.07 -0.11 0.08 0.00 0.70 0.00 0.00 55.95 56.54 1wfm s SER 38 Cb -0.09 1.31 -0.05 0.00 -1.71 0.00 0.00 66.02 65.48 1wfm s SER 38 CO -0.19 -0.13 -0.13 0.54 1.20 0.00 0.00 173.24 174.53 1wfm s ASN 39 N 2.49 2.62 0.96 5.45 2.20 -1.26 -4.85 114.94 122.56 1wfm s ASN 39 Ca 0.19 -1.05 -0.14 0.00 -0.94 0.00 0.00 52.86 50.92 1wfm s ASN 39 Cb -0.03 -0.14 -0.01 0.00 -2.00 0.00 0.00 41.25 39.07 1wfm s ASN 39 CO -0.19 -0.19 0.08 0.00 -2.94 0.00 0.00 177.10 173.86 1wfm n HIS 40 N -0.42 -2.47 -0.61 1.54 -0.00 -1.26 -4.72 115.22 107.27 1wfm n HIS 40 Ca -0.07 0.16 0.03 0.00 -0.00 0.00 0.00 57.72 57.84 1wfm n HIS 40 Cb 0.61 -1.69 -0.02 0.00 -0.00 0.00 0.00 29.99 28.89 1wfm n HIS 40 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1wfm n ASP 41 N -0.02 -3.32 0.00 4.39 2.03 -1.26 -4.94 116.55 113.43 1wfm n ASP 41 Ca 0.04 0.69 0.00 0.00 0.52 0.00 0.00 54.79 56.04 1wfm n ASP 41 Cb 0.54 -1.72 0.00 0.00 -0.72 0.00 0.00 41.12 39.23 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 -2.40 0.90 0.00 0.27 0.00 -1.26 -4.97 105.19 97.72 1wfm n GLY 42 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.41 0.52 -0.02 0.00 -1.26 -5.06 105.19 99.78 1wfm n GLY 43 Ca 0.00 -1.22 0.07 0.00 0.00 0.00 0.00 46.02 44.88 1wfm n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfm n ASP 45 N -2.23 4.05 -4.42 0.00 8.00 -1.26 -3.78 116.55 116.90 1wfm n ASP 45 Ca 0.00 1.03 -0.22 0.00 0.71 0.00 0.00 54.79 56.31 1wfm n ASP 45 Cb 0.24 -1.57 -0.10 0.00 -0.02 0.00 0.00 41.12 39.67 1wfm n ASP 45 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wfm s TYR 47 N -2.61 -0.59 0.08 0.00 1.13 -1.16 -1.01 117.35 113.20 1wfm s TYR 47 Ca 0.27 0.70 -0.15 0.00 -1.41 0.00 0.00 57.07 56.48 1wfm s TYR 47 Cb -0.04 0.48 -0.06 0.00 -1.10 0.00 0.00 41.96 41.24 1wfm s TYR 47 CO 0.12 -0.73 0.50 0.08 -2.51 0.00 0.00 175.55 173.01 1wfm s VAL 48 N -2.51 4.90 -0.05 -3.49 1.01 -1.26 -3.22 120.40 115.78 1wfm s VAL 48 Ca -0.05 0.89 -0.01 0.00 0.00 0.00 0.00 61.98 62.81 1wfm s VAL 48 Cb -0.01 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.64 1wfm s VAL 48 CO -0.02 0.41 0.03 -1.58 0.00 0.00 0.00 175.10 173.95 1wfm s GLN 49 N -1.52 0.19 -0.16 2.72 0.74 0.99 -1.21 119.66 121.42 1wfm s GLN 49 Ca 0.31 0.25 -0.06 0.00 0.05 0.00 0.00 55.36 55.91 1wfm s GLN 49 Cb -0.16 -0.65 -0.04 0.00 1.10 0.00 0.00 33.01 33.26 1wfm s GLN 49 CO 0.18 -0.29 0.06 0.20 -0.55 0.00 0.00 175.29 174.89 1wfm s GLY 50 N 1.94 1.94 -0.05 2.59 0.00 0.12 0.57 107.32 114.43 1wfm s GLY 50 Ca 0.03 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 44.04 1wfm s GLY 50 CO -0.04 -0.12 -0.14 -1.35 0.00 0.00 0.00 173.10 171.45 1wfm s SER 51 N -0.08 1.92 -0.01 1.64 1.04 -0.50 0.20 113.70 117.91 1wfm s SER 51 Ca 0.07 -0.32 0.06 0.00 0.48 0.00 0.00 55.95 56.24 1wfm s SER 51 Cb -0.12 -0.70 -0.01 0.00 0.10 0.00 0.00 66.02 65.29 1wfm s SER 51 CO 0.01 0.09 -0.18 -0.69 0.98 0.00 0.00 173.24 173.45 1wfm s VAL 52 N 0.33 1.45 -0.22 5.02 1.01 -0.20 0.13 120.40 127.92 1wfm s VAL 52 Ca -0.09 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 1wfm s VAL 52 Cb -0.13 -1.20 0.03 0.00 0.00 0.00 0.00 36.38 35.07 1wfm s VAL 52 CO 0.03 0.41 -0.11 0.00 0.00 0.00 0.00 175.10 175.42 1wfm s ALA 53 N -0.43 2.56 0.30 5.51 0.00 -0.92 0.16 121.76 128.94 1wfm s ALA 53 Ca 0.07 -1.40 0.09 0.00 0.00 0.00 0.00 51.96 50.72 1wfm s ALA 53 Cb -0.07 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 1wfm s ALA 53 CO -0.01 -0.68 0.06 0.54 0.00 0.00 0.00 175.76 175.67 1wfm s ASN 54 N 1.29 4.64 0.32 0.00 2.20 0.34 -3.06 114.94 120.67 1wfm s ASN 54 Ca 0.01 -0.69 0.20 0.00 -0.94 0.00 0.00 52.86 51.45 1wfm s ASN 54 Cb -0.16 -0.82 1.11 0.00 -2.00 0.00 0.00 41.25 39.39 1wfm s ASN 54 CO -0.07 -0.13 1.61 0.54 -2.94 0.00 0.00 177.10 176.11 1wfm n ARG 55 N -1.01 0.13 0.01 3.55 1.74 -1.25 -0.28 116.66 119.54 1wfm n ARG 55 Ca -0.05 0.63 -0.11 0.00 -0.77 0.00 0.00 57.85 57.54 1wfm n ARG 55 Cb 0.60 -1.98 -0.14 0.00 -1.02 0.00 0.00 32.46 29.92 1wfm n ARG 55 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1wfm h THR 56 N 0.00 0.97 0.00 0.55 1.35 -1.94 -3.50 112.91 110.34 1wfm h THR 56 Ca 0.00 -2.75 0.00 0.00 -0.55 0.00 0.00 66.41 63.11 1wfm h THR 56 Cb 0.08 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1wfm h THR 56 CO 0.00 0.66 0.00 0.61 -0.25 0.00 0.00 175.52 176.54 1wfm n GLY 57 N 1.61 -0.37 3.59 5.82 0.00 0.62 -5.16 105.19 111.30 1wfm n GLY 57 Ca -0.17 0.33 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.67 0.36 1.61 1.04 -1.26 -0.51 113.70 110.27 1wfm s SER 58 Ca 0.00 1.06 0.09 0.00 0.48 0.00 0.00 55.95 57.58 1wfm s SER 58 Cb 0.00 1.00 -0.07 0.00 0.10 0.00 0.00 66.02 67.05 1wfm s SER 58 CO 0.00 -0.39 -0.06 0.68 0.98 0.00 0.00 173.24 174.45 1wfm s VAL 59 N -0.32 2.22 -0.13 5.02 -7.23 0.43 -4.96 120.40 115.42 1wfm s VAL 59 Ca -0.04 -2.14 -0.24 0.00 -1.81 0.00 0.00 61.98 57.75 1wfm s VAL 59 Cb -0.03 -2.74 0.06 0.00 0.56 0.00 0.00 36.38 34.23 1wfm s VAL 59 CO 0.04 -0.15 0.60 -1.61 -0.31 0.00 0.00 175.10 173.67 1wfm s GLU 60 N -3.64 0.85 0.24 4.82 2.02 -1.26 -1.04 118.70 120.69 1wfm s GLU 60 Ca 0.33 0.49 -0.14 0.00 0.02 0.00 0.00 54.97 55.68 1wfm s GLU 60 Cb 0.04 0.40 0.00 0.00 0.10 0.00 0.00 34.13 34.67 1wfm s GLU 60 CO 0.17 -0.19 0.49 0.00 0.02 0.00 0.00 175.26 175.75 1wfm s ALA 61 N -0.47 -0.39 0.17 5.21 0.00 0.13 -4.98 121.76 121.42 1wfm s ALA 61 Ca -0.06 -0.75 -0.24 0.00 0.00 0.00 0.00 51.96 50.91 1wfm s ALA 61 Cb -0.03 1.01 0.06 0.00 0.00 0.00 0.00 23.12 24.16 1wfm s ALA 61 CO 0.05 -0.85 0.73 1.14 0.00 0.00 0.00 175.76 176.83 1wfm s GLN 62 N -3.99 1.34 0.54 0.00 1.03 -1.26 0.12 119.66 117.44 1wfm s GLN 62 Ca 0.19 -0.62 0.08 0.00 0.04 0.00 0.00 55.36 55.05 1wfm s GLN 62 Cb -0.01 0.53 0.06 0.00 0.03 0.00 0.00 33.01 33.62 1wfm s GLN 62 CO 0.07 -0.60 0.61 0.95 -2.54 0.00 0.00 175.29 173.77 1wfm s THR 63 N -3.63 2.08 0.95 3.63 -4.23 -0.35 -4.98 115.64 109.12 1wfm s THR 63 Ca 0.06 -1.20 -0.11 0.00 -1.18 0.00 0.00 61.69 59.27 1wfm s THR 63 Cb -0.03 -2.28 0.17 0.00 1.34 0.00 0.00 72.50 71.70 1wfm s THR 63 CO -0.04 0.00 1.12 0.00 -0.54 0.00 0.00 174.62 175.16 1wfm s ALA 64 N -2.66 1.14 0.09 3.99 0.00 -1.26 -4.63 121.76 118.43 1wfm s ALA 64 Ca 0.51 0.42 -0.25 0.00 0.00 0.00 0.00 51.96 52.63 1wfm s ALA 64 Cb -0.05 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.62 1wfm s ALA 64 CO 0.32 -2.91 0.78 -0.51 0.00 0.00 0.00 175.76 173.44 1wfm s LEU 65 N -6.68 4.51 0.23 0.00 1.02 -1.26 -4.66 118.68 111.83 1wfm s LEU 65 Ca 0.67 1.54 0.04 0.00 0.02 0.00 0.00 54.13 56.40 1wfm s LEU 65 Cb -0.23 -3.28 -0.05 0.00 0.02 0.00 0.00 46.19 42.65 1wfm s LEU 65 CO 0.59 0.08 -0.03 -0.54 0.02 0.00 0.00 176.35 176.48 1wfm s LYS 66 N -0.46 1.33 -0.18 1.70 1.02 -0.18 -4.93 119.74 118.04 1wfm s LYS 66 Ca 0.38 -1.66 -0.28 0.00 0.02 0.00 0.00 55.97 54.43 1wfm s LYS 66 Cb -0.22 -0.70 -0.00 0.00 -0.52 0.00 0.00 37.83 36.39 1wfm s LYS 66 CO 0.25 -0.05 0.99 0.21 -0.92 0.00 0.00 175.35 175.83 1wfm s LYS 67 N -3.82 4.31 -0.43 1.68 2.20 -1.26 -1.11 119.74 121.30 1wfm s LYS 67 Ca 0.27 1.30 -0.44 0.00 -0.36 0.00 0.00 55.97 56.74 1wfm s LYS 67 Cb 0.05 -3.60 -0.18 0.00 -1.51 0.00 0.00 37.83 32.59 1wfm s LYS 67 CO 0.08 -0.48 1.76 -2.13 -0.36 0.00 0.00 175.35 174.22 1wfm n ARG 68 N 5.74 0.37 -4.34 4.03 3.00 -1.25 -4.90 116.66 119.32 1wfm n ARG 68 Ca 0.10 0.13 -0.17 0.00 -0.00 0.00 0.00 57.85 57.90 1wfm n ARG 68 Cb 0.47 -1.72 -0.10 0.00 0.00 0.00 0.00 32.46 31.11 1wfm n ARG 68 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1wfm s GLN 69 N 3.83 1.41 0.34 -0.14 -1.52 -1.26 -5.01 119.66 117.31 1wfm s GLN 69 Ca 1.06 -1.75 0.26 0.00 -1.95 0.00 0.00 55.36 52.98 1wfm s GLN 69 Cb -1.35 -0.49 1.15 0.00 -0.22 0.00 0.00 33.01 32.10 1wfm s GLN 69 CO 0.73 -0.20 1.78 -0.07 -0.25 0.00 0.00 175.29 177.29 1wfm h LEU 70 N 2.38 0.00 -5.00 2.90 -0.00 -1.89 -3.35 115.31 110.36 1wfm h LEU 70 Ca -0.39 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.33 1wfm h LEU 70 Cb 1.24 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 41.74 1wfm h LEU 70 CO 0.64 0.00 -0.48 1.57 -0.00 0.00 0.00 178.44 180.17 1wfm n HIS 71 N -2.43 -3.65 -2.59 1.13 -0.00 -1.25 -4.18 115.22 102.24 1wfm n HIS 71 Ca 0.01 -1.45 -0.43 0.00 0.46 0.00 0.00 57.72 56.31 1wfm n HIS 71 Cb 0.20 1.50 -0.02 0.00 -0.12 0.00 0.00 29.99 31.55 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 0.82 4.56 -0.04 3.57 2.01 -1.04 -4.90 115.64 120.62 1wfm s THR 72 Ca 0.30 1.86 0.06 0.00 0.31 0.00 0.00 61.69 64.23 1wfm s THR 72 Cb 0.07 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 1wfm s THR 72 CO -0.10 -0.06 -0.23 0.42 -0.69 0.00 0.00 174.62 173.95 1wfm s THR 73 N 2.56 1.89 0.45 -0.82 -4.23 -1.26 -1.75 115.64 112.48 1wfm s THR 73 Ca 0.50 -0.99 0.08 0.00 -1.18 0.00 0.00 61.69 60.10 1wfm s THR 73 Cb -0.19 -1.59 0.01 0.00 1.34 0.00 0.00 72.50 72.07 1wfm s THR 73 CO 0.15 0.53 0.53 0.26 -0.54 0.00 0.00 174.62 175.56 1wfm s TRP 74 N -0.26 2.52 -0.05 3.99 0.51 -1.16 -5.04 118.94 119.46 1wfm s TRP 74 Ca 0.01 -0.50 0.10 0.00 -2.12 0.00 0.00 56.10 53.59 1wfm s TRP 74 Cb -0.12 -2.27 -0.23 0.00 -0.81 0.00 0.00 33.47 30.04 1wfm s TRP 74 CO 0.02 -0.43 0.64 0.39 -0.51 0.00 0.00 176.95 177.05 1wfm n GLU 75 N -1.81 0.65 -4.32 4.98 1.02 -1.26 -4.88 120.64 115.02 1wfm n GLU 75 Ca 0.07 0.30 -0.18 0.00 -0.02 0.00 0.00 57.16 57.33 1wfm n GLU 75 Cb 0.60 -1.79 -0.10 0.00 -0.02 0.00 0.00 31.44 30.13 1wfm n GLU 75 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1wfm s GLU 76 N -2.59 1.24 0.09 3.49 -1.05 -1.26 -5.07 118.70 113.54 1wfm s GLU 76 Ca -0.07 -1.51 0.01 0.00 -0.15 0.00 0.00 54.97 53.25 1wfm s GLU 76 Cb 0.08 -1.02 0.01 0.00 -0.44 0.00 0.00 34.13 32.76 1wfm s GLU 76 CO 0.82 0.17 0.10 0.41 0.95 0.00 0.00 175.26 177.71 1wfm n GLY 77 N -0.20 2.42 3.99 -3.83 0.00 -1.26 -4.85 105.19 101.47 1wfm n GLY 77 Ca -0.10 -2.17 -0.19 0.00 0.00 0.00 0.00 46.02 43.57 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 3.44 -0.30 0.99 1.43 -0.48 -4.84 118.68 118.92 1wfm s LEU 78 Ca 0.08 -0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 52.78 1wfm s LEU 78 Cb -0.01 -2.68 0.16 0.00 0.03 0.00 0.00 46.19 43.69 1wfm s LEU 78 CO 0.05 -0.99 0.89 0.54 0.23 0.00 0.00 176.35 177.06 1wfm s VAL 79 N -2.57 -0.65 -0.03 -1.59 0.11 -1.26 0.13 120.40 114.55 1wfm s VAL 79 Ca 0.57 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.65 1wfm s VAL 79 Cb -0.10 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 1wfm s VAL 79 CO 0.36 0.00 -0.12 -0.76 -3.33 0.00 0.00 175.10 171.25 1wfm s LEU 80 N 2.59 2.90 -0.02 2.54 2.01 -0.88 -4.85 118.68 122.98 1wfm s LEU 80 Ca -0.03 -0.18 -0.30 0.00 0.01 0.00 0.00 54.13 53.62 1wfm s LEU 80 Cb -0.08 -1.64 -0.04 0.00 0.01 0.00 0.00 46.19 44.44 1wfm s LEU 80 CO -0.18 0.32 1.20 -2.16 1.01 0.00 0.00 176.35 176.54 1wfm s PRO 81 N -1.01 4.38 0.08 1.29 0.04 -1.26 0.18 135.00 138.70 1wfm s PRO 81 Ca 0.13 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.72 1wfm s PRO 81 Cb -0.11 -3.49 0.03 0.00 0.04 0.00 0.00 34.50 30.97 1wfm s PRO 81 CO 0.03 -0.38 0.39 -1.17 0.04 0.00 0.00 177.00 175.91 1wfm s LEU 82 N 1.83 0.46 -0.10 -3.56 2.96 -0.87 -4.86 118.68 114.54 1wfm s LEU 82 Ca 0.57 -0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 54.27 1wfm s LEU 82 Cb -0.26 1.75 -0.03 0.00 0.50 0.00 0.00 46.19 48.14 1wfm s LEU 82 CO 0.25 -0.76 0.02 0.00 -1.32 0.00 0.00 176.35 174.54 1wfm s ALA 83 N -3.17 3.34 0.65 5.97 0.00 -1.26 -4.08 121.76 123.21 1wfm s ALA 83 Ca -0.01 -0.79 0.33 0.00 0.00 0.00 0.00 51.96 51.50 1wfm s ALA 83 Cb 0.01 -1.55 1.81 0.00 0.00 0.00 0.00 23.12 23.38 1wfm s ALA 83 CO -0.07 0.56 2.05 1.49 0.00 0.00 0.00 175.76 179.79 1wfm h GLU 84 N 5.26 0.00 -0.00 0.00 4.81 -1.93 1.27 114.58 123.99 1wfm h GLU 84 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 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 -0.10 -0.85 -0.73 0.00 0.00 179.01 177.89 1wfm n GLU 85 N -3.12 0.23 -0.03 1.92 0.28 -1.26 -3.06 120.64 115.59 1wfm n GLU 85 Ca -0.01 -0.05 0.02 0.00 -0.16 0.00 0.00 57.16 56.96 1wfm n GLU 85 Cb 0.32 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.73 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 -1.35 1.49 -0.01 3.44 1.02 0.43 -4.67 120.64 120.99 1wfm n GLU 86 Ca 0.10 -1.26 -0.10 0.00 -0.02 0.00 0.00 57.16 55.88 1wfm n GLU 86 Cb 0.31 -1.08 -0.04 0.00 -0.02 0.00 0.00 31.44 30.61 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 0.65 -0.10 -0.00 -4.62 3.38 -1.25 0.82 115.31 114.19 1wfm h LEU 87 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1wfm h LEU 87 Cb 0.39 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1wfm h LEU 87 CO 0.00 -0.03 0.00 -0.81 0.09 0.00 0.00 178.44 177.69 1wfm n PRO 88 N -5.15 0.00 -0.42 1.13 -0.04 -1.26 -2.57 135.00 126.70 1wfm n PRO 88 Ca -0.04 0.13 0.07 0.00 -0.04 0.00 0.00 63.50 63.62 1wfm n PRO 88 Cb 0.09 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.23 1wfm n PRO 88 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wfm n THR 89 N -1.50 2.12 -3.90 0.52 -2.24 -0.15 -4.93 114.28 104.19 1wfm n THR 89 Ca 0.05 -2.82 -0.10 0.00 -2.27 0.00 0.00 64.05 58.91 1wfm n THR 89 Cb 0.25 -0.25 -0.09 0.00 -2.10 0.00 0.00 70.33 68.15 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 -3.10 -0.18 0.04 6.98 0.00 0.27 -3.90 121.76 121.87 1wfm s ALA 90 Ca 0.36 -0.40 -0.00 0.00 0.00 0.00 0.00 51.96 51.92 1wfm s ALA 90 Cb 0.34 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 1wfm s ALA 90 CO -0.02 -0.30 -0.04 0.99 0.00 0.00 0.00 175.76 176.39 1wfm s THR 91 N -2.27 0.23 -0.30 0.00 2.01 -1.17 -4.16 115.64 109.97 1wfm s THR 91 Ca -0.08 -1.45 -0.04 0.00 0.31 0.00 0.00 61.69 60.43 1wfm s THR 91 Cb -0.03 -1.03 0.03 0.00 0.01 0.00 0.00 72.50 71.49 1wfm s THR 91 CO -0.03 -0.78 0.03 -0.22 -0.69 0.00 0.00 174.62 172.93 1wfm s LEU 92 N -2.33 3.84 -0.41 4.42 1.98 -1.19 -2.17 118.68 122.82 1wfm s LEU 92 Ca -0.02 -1.05 -0.10 0.00 -2.89 0.00 0.00 54.13 50.07 1wfm s LEU 92 Cb 0.00 -1.77 0.06 0.00 0.66 0.00 0.00 46.19 45.14 1wfm s LEU 92 CO -0.06 -0.24 0.26 -0.89 -1.89 0.00 0.00 176.35 173.53 1wfm s THR 93 N 1.35 4.43 0.32 3.68 2.01 0.35 -1.23 115.64 126.56 1wfm s THR 93 Ca -0.02 -1.21 -0.26 0.00 0.31 0.00 0.00 61.69 60.51 1wfm s THR 93 Cb -0.19 -3.63 -0.10 0.00 0.01 0.00 0.00 72.50 68.60 1wfm s THR 93 CO -0.00 -0.43 0.98 -0.76 -0.69 0.00 0.00 174.62 173.72 1wfm s LEU 94 N 1.48 4.36 -0.00 4.42 1.02 0.52 -1.41 118.68 129.06 1wfm s LEU 94 Ca 0.03 1.93 -0.03 0.00 0.02 0.00 0.00 54.13 56.07 1wfm s LEU 94 Cb -0.22 -3.97 -0.00 0.00 0.02 0.00 0.00 46.19 42.02 1wfm s LEU 94 CO 0.04 -0.13 0.06 0.42 0.02 0.00 0.00 176.35 176.76 1wfm s THR 95 N -1.53 0.07 -0.28 5.49 -4.23 0.19 0.50 115.64 115.85 1wfm s THR 95 Ca 0.50 -0.57 0.01 0.00 -1.18 0.00 0.00 61.69 60.45 1wfm s THR 95 Cb -0.21 -0.28 0.08 0.00 1.34 0.00 0.00 72.50 73.43 1wfm s THR 95 CO 0.27 -0.31 0.03 -0.22 -0.54 0.00 0.00 174.62 173.85 1wfm s LEU 96 N -0.99 2.90 -0.13 4.79 0.20 -0.69 -0.01 118.68 124.75 1wfm s LEU 96 Ca -0.11 -1.56 -0.09 0.00 0.69 0.00 0.00 54.13 53.07 1wfm s LEU 96 Cb -0.06 -1.14 -0.04 0.00 -0.43 0.00 0.00 46.19 44.52 1wfm s LEU 96 CO 0.00 -0.34 0.16 -0.13 -0.29 0.00 0.00 176.35 175.75 1wfm s ARG 97 N 1.38 3.69 -0.19 1.98 3.00 -1.20 0.12 118.95 127.73 1wfm s ARG 97 Ca 0.04 -0.11 -0.08 0.00 0.00 0.00 0.00 55.73 55.59 1wfm s ARG 97 Cb -0.18 -3.26 -0.04 0.00 0.00 0.00 0.00 34.95 31.47 1wfm s ARG 97 CO -0.14 0.64 0.07 0.95 0.00 0.00 0.00 175.30 176.82 1wfm s THR 98 N -0.63 4.83 0.57 0.02 -4.23 -1.26 -3.00 115.64 111.94 1wfm s THR 98 Ca 0.14 -0.01 -0.18 0.00 -1.18 0.00 0.00 61.69 60.46 1wfm s THR 98 Cb -0.12 -3.19 -0.10 0.00 1.34 0.00 0.00 72.50 70.43 1wfm s THR 98 CO 0.03 0.44 0.36 0.00 -0.54 0.00 0.00 174.62 174.91 1wfm n ASP 100 N 0.95 -0.70 0.03 0.00 9.92 -1.26 -4.67 116.55 120.82 1wfm n ASP 100 Ca 0.11 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.50 1wfm n ASP 100 Cb 0.48 -1.00 0.00 0.00 -0.64 0.00 0.00 41.12 39.95 1wfm n ASP 100 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1wfm n ARG 101 N 1.03 0.00 -0.07 -1.24 0.63 -1.26 -4.87 116.66 110.88 1wfm n ARG 101 Ca 0.17 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.99 1wfm n ARG 101 Cb 0.24 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.10 1wfm n ARG 101 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1wfm n PHE 102 N -2.29 0.00 -1.87 -0.14 3.01 -1.26 -5.04 117.46 109.87 1wfm n PHE 102 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1wfm n PHE 102 Cb 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 39.48 38.97 1wfm n PHE 102 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1wfm n SER 103 N -3.15 -1.35 0.00 4.37 2.88 -1.26 -5.02 113.62 110.09 1wfm n SER 103 Ca -0.24 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.30 1wfm n SER 103 Cb 0.73 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1wfm n SER 103 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wfm n ARG 104 N -0.58 0.00 -4.16 -1.46 1.74 -1.26 -4.88 116.66 106.06 1wfm n ARG 104 Ca 0.00 0.49 -0.15 0.00 -0.77 0.00 0.00 57.85 57.42 1wfm n ARG 104 Cb 0.40 -1.45 -0.11 0.00 -1.02 0.00 0.00 32.46 30.28 1wfm n ARG 104 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1wfm s HIS 105 N -2.78 1.03 0.48 -1.55 2.46 -1.26 -4.85 115.29 108.82 1wfm s HIS 105 Ca 0.00 -0.60 0.15 0.00 0.47 0.00 0.00 55.06 55.08 1wfm s HIS 105 Cb 0.00 -0.57 1.16 0.00 -0.13 0.00 0.00 32.58 33.04 1wfm s HIS 105 CO 0.00 -0.00 2.08 1.03 -2.47 0.00 0.00 174.74 175.38 1wfm h SER 106 N 3.84 0.16 -3.47 9.88 0.87 -1.96 -3.40 113.55 119.48 1wfm h SER 106 Ca -0.38 -0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 59.62 1wfm h SER 106 Cb 1.19 -0.04 -0.33 0.00 -0.44 0.00 0.00 62.40 62.78 1wfm h SER 106 CO 0.49 0.11 -0.83 -0.69 -0.53 0.00 0.00 176.83 175.37 1wfm s VAL 107 N -5.21 1.42 0.24 2.23 1.01 -1.26 -4.76 120.40 114.07 1wfm s VAL 107 Ca -0.06 -0.65 0.16 0.00 0.00 0.00 0.00 61.98 61.43 1wfm s VAL 107 Cb 0.18 -1.26 0.09 0.00 0.00 0.00 0.00 36.38 35.39 1wfm s VAL 107 CO 0.70 0.42 1.73 0.00 0.00 0.00 0.00 175.10 177.96 1wfm h ALA 108 N 6.79 1.07 -1.14 5.51 0.00 0.76 -3.46 119.26 128.79 1wfm h ALA 108 Ca -0.28 -0.39 0.18 0.00 0.00 0.00 0.00 54.91 54.42 1wfm h ALA 108 Cb 1.20 -0.07 -0.32 0.00 0.00 0.00 0.00 17.79 18.60 1wfm h ALA 108 CO 0.47 0.53 0.81 0.20 0.00 0.00 0.00 179.25 181.26 1wfm s GLY 109 N -4.37 0.33 -0.17 0.00 0.00 -1.19 -4.71 107.32 97.21 1wfm s GLY 109 Ca -0.01 3.47 -0.05 0.00 0.00 0.00 0.00 44.72 48.13 1wfm s GLY 109 CO 0.71 2.05 -0.00 -0.54 0.00 0.00 0.00 173.10 175.32 1wfm s GLU 110 N 0.20 3.75 -0.32 2.90 8.01 -1.26 -1.71 118.70 130.29 1wfm s GLU 110 Ca 0.05 -0.47 0.04 0.00 0.01 0.00 0.00 54.97 54.60 1wfm s GLU 110 Cb -0.05 -3.03 0.09 0.00 -4.31 0.00 0.00 34.13 26.83 1wfm s GLU 110 CO -0.14 0.21 0.00 -1.17 0.01 0.00 0.00 175.26 174.17 1wfm s LEU 111 N 0.48 4.35 0.37 1.80 1.98 0.18 0.19 118.68 128.04 1wfm s LEU 111 Ca -0.01 -1.91 -0.18 0.00 -2.89 0.00 0.00 54.13 49.14 1wfm s LEU 111 Cb -0.14 -1.61 -0.10 0.00 0.66 0.00 0.00 46.19 45.01 1wfm s LEU 111 CO 0.02 -0.32 0.83 -0.60 -1.89 0.00 0.00 176.35 174.39 1wfm s ARG 112 N 0.97 4.10 0.29 1.98 3.00 -1.26 0.19 118.95 128.22 1wfm s ARG 112 Ca 0.05 0.86 -0.14 0.00 -1.00 0.00 0.00 55.73 55.50 1wfm s ARG 112 Cb -0.19 -2.32 0.01 0.00 0.00 0.00 0.00 34.95 32.44 1wfm s ARG 112 CO -0.07 0.08 0.58 -0.51 0.00 0.00 0.00 175.30 175.38 1wfm s LEU 113 N -3.07 0.22 0.05 -0.88 1.43 -0.36 -4.90 118.68 111.17 1wfm s LEU 113 Ca 0.57 -0.95 0.06 0.00 -1.03 0.00 0.00 54.13 52.78 1wfm s LEU 113 Cb -0.10 2.12 -0.02 0.00 0.03 0.00 0.00 46.19 48.22 1wfm s LEU 113 CO 0.16 -1.29 -0.17 -0.83 0.23 0.00 0.00 176.35 174.45 1wfm s GLY 114 N -3.03 0.94 -0.22 -3.19 0.00 -1.26 -3.16 107.32 97.40 1wfm s GLY 114 Ca 0.20 -0.94 0.08 0.00 0.00 0.00 0.00 44.72 44.06 1wfm s GLY 114 CO 0.10 -0.90 -0.09 1.04 0.00 0.00 0.00 173.10 173.25 1wfm n LEU 115 N 1.80 1.69 -0.61 0.66 4.77 -1.26 -4.30 117.00 119.75 1wfm n LEU 115 Ca -0.18 -0.07 0.48 0.00 -0.03 0.00 0.00 56.01 56.21 1wfm n LEU 115 Cb 0.54 -0.28 0.77 0.00 -2.33 0.00 0.00 43.42 42.12 1wfm n LEU 115 CO 0.23 0.72 1.39 -2.24 -1.33 0.00 0.00 177.39 176.16 1wfm h ASP 116 N 0.00 0.08 0.00 -1.43 3.04 -1.75 -3.43 116.42 112.92 1wfm h ASP 116 Ca -0.53 0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.32 1wfm h ASP 116 Cb 1.98 0.06 0.00 0.00 -1.04 0.00 0.00 39.33 40.32 1wfm h ASP 116 CO -0.04 -0.09 0.00 0.61 -2.04 0.00 0.00 179.24 177.68 1wfm n GLY 117 N -1.77 1.94 0.00 7.15 0.00 -1.26 -4.89 105.19 106.35 1wfm n GLY 117 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.64 0.00 0.00 2.61 -1.04 -1.26 -4.76 114.28 109.19 1wfm n THR 118 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1wfm n THR 118 Cb 0.00 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.72 1wfm n THR 118 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1wfm n SER 119 N -1.17 0.00 -4.30 8.00 7.64 -1.26 -4.50 113.62 118.02 1wfm n SER 119 Ca 0.00 0.99 -0.31 0.00 1.01 0.00 0.00 58.87 60.57 1wfm n SER 119 Cb 0.00 -0.49 -0.16 0.00 -1.01 0.00 0.00 64.21 62.55 1wfm n SER 119 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1wfm s VAL 120 N -2.97 2.00 0.95 0.44 -7.23 -1.26 -4.97 120.40 107.37 1wfm s VAL 120 Ca 0.00 -1.08 -0.13 0.00 -1.81 0.00 0.00 61.98 58.95 1wfm s VAL 120 Cb 0.00 -1.66 0.16 0.00 0.56 0.00 0.00 36.38 35.44 1wfm s VAL 120 CO 0.00 0.57 1.16 -2.16 -0.31 0.00 0.00 175.10 174.35 1wfm s PRO 121 N -0.59 0.81 0.22 4.82 0.04 -1.26 -4.45 135.00 134.58 1wfm s PRO 121 Ca 0.10 0.17 -0.01 0.00 0.04 0.00 0.00 61.00 61.30 1wfm s PRO 121 Cb -0.10 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1wfm s PRO 121 CO -0.01 -2.40 0.42 -0.51 0.04 0.00 0.00 177.00 174.54 1wfm s LEU 122 N -6.12 4.20 -1.71 -3.56 1.43 -1.26 -4.14 118.68 107.52 1wfm s LEU 122 Ca 0.66 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 54.17 1wfm s LEU 122 Cb -0.13 -3.19 0.00 0.00 0.03 0.00 0.00 46.19 42.90 1wfm s LEU 122 CO 0.54 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.65 1wfm n GLY 123 N -0.83 1.50 2.85 -3.19 0.00 0.52 -4.90 105.19 101.13 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 1.98 0.18 4.61 0.00 -1.25 -5.01 121.76 119.89 1wfm s ALA 124 Ca 0.00 -1.86 -0.31 0.00 0.00 0.00 0.00 51.96 49.79 1wfm s ALA 124 Cb 0.00 -1.69 -0.09 0.00 0.00 0.00 0.00 23.12 21.34 1wfm s ALA 124 CO 0.00 -1.59 1.47 0.00 0.00 0.00 0.00 175.76 175.64 1wfm s ALA 125 N 1.38 3.68 0.15 0.00 0.00 -1.26 -4.46 121.76 121.25 1wfm s ALA 125 Ca 0.08 1.28 0.06 0.00 0.00 0.00 0.00 51.96 53.38 1wfm s ALA 125 Cb -0.18 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 1wfm s ALA 125 CO -0.17 -0.71 -0.13 -0.65 0.00 0.00 0.00 175.76 174.09 1wfm s GLN 126 N 0.66 1.11 -0.75 0.00 -1.52 -1.10 -5.01 119.66 113.06 1wfm s GLN 126 Ca 0.65 -1.37 -0.08 0.00 -1.95 0.00 0.00 55.36 52.60 1wfm s GLN 126 Cb -0.41 -0.91 0.19 0.00 -0.22 0.00 0.00 33.01 31.66 1wfm s GLN 126 CO 0.35 0.16 0.63 -1.58 -0.25 0.00 0.00 175.29 174.59 1wfm s TRP 127 N -2.59 3.61 0.46 0.91 0.52 -1.26 -3.04 118.94 117.56 1wfm s TRP 127 Ca 0.14 -2.37 -0.05 0.00 0.02 0.00 0.00 56.10 53.84 1wfm s TRP 127 Cb -0.02 -3.52 -0.04 0.00 -1.15 0.00 0.00 33.47 28.74 1wfm s TRP 127 CO 0.03 -0.91 0.76 0.20 0.02 0.00 0.00 176.95 177.05 1wfm s GLY 128 N 1.39 1.51 -0.19 0.98 0.00 -1.22 -4.92 107.32 104.87 1wfm s GLY 128 Ca 0.18 -0.53 -0.05 0.00 0.00 0.00 0.00 44.72 44.32 1wfm s GLY 128 CO -0.06 -0.37 0.01 -0.54 0.00 0.00 0.00 173.10 172.13 1wfm s GLU 129 N -4.64 3.73 0.24 2.90 2.02 -1.26 -1.53 118.70 120.16 1wfm s GLU 129 Ca 0.47 -0.47 -0.31 0.00 0.02 0.00 0.00 54.97 54.67 1wfm s GLU 129 Cb -0.10 -3.09 -0.12 0.00 0.10 0.00 0.00 34.13 30.92 1wfm s GLU 129 CO 0.43 0.13 1.65 1.28 0.02 0.00 0.00 175.26 178.77 1wfm n LEU 130 N 3.92 4.10 -3.73 1.80 4.77 0.98 -4.82 117.00 124.02 1wfm n LEU 130 Ca -0.17 1.10 -0.41 0.00 -0.03 0.00 0.00 56.01 56.50 1wfm n LEU 130 Cb 0.52 -1.57 0.02 0.00 -2.33 0.00 0.00 43.42 40.05 1wfm n LEU 130 CO 0.33 0.13 1.40 0.29 -1.33 0.00 0.00 177.39 178.22 1wfm n LYS 131 N 3.10 5.16 -0.41 3.23 4.76 0.50 -4.69 118.16 129.81 1wfm n LYS 131 Ca 0.13 -4.58 0.34 0.00 -2.87 0.00 0.00 58.31 51.32 1wfm n LYS 131 Cb 0.35 -2.49 0.56 0.00 -1.84 0.00 0.00 35.03 31.61 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 0.39 -0.16 0.23 -0.18 -2.24 -1.26 0.64 114.28 111.71 1wfm n THR 132 Ca 0.42 1.36 -0.09 0.00 -2.27 0.00 0.00 64.05 63.47 1wfm n THR 132 Cb 0.28 -2.24 -0.04 0.00 -2.10 0.00 0.00 70.33 66.23 1wfm n THR 132 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1wfm h SER 133 N 0.00 -0.49 -3.66 3.42 0.02 -1.93 -3.44 113.55 107.47 1wfm h SER 133 Ca 0.70 0.02 0.23 0.00 -0.84 0.00 0.00 61.79 61.90 1wfm h SER 133 Cb 2.39 0.13 -0.13 0.00 0.14 0.00 0.00 62.40 64.93 1wfm h SER 133 CO -0.29 -0.31 -1.19 0.61 -1.14 0.00 0.00 176.83 174.51 1wfm n GLY 134 N -0.85 -3.60 3.77 -3.77 0.00 0.21 -4.93 105.19 96.02 1wfm n GLY 134 Ca -0.07 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 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 -4.75 -0.25 -0.44 1.61 0.04 -1.26 -4.90 135.00 125.05 1wfm s PRO 135 Ca 0.00 -0.24 -0.27 0.00 0.04 0.00 0.00 61.00 60.53 1wfm s PRO 135 Cb 0.00 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 1wfm s PRO 135 CO 0.00 -3.03 2.04 0.45 0.04 0.00 0.00 177.00 176.49 1wfm s SER 136 N -4.40 5.27 0.25 6.66 0.15 -1.26 -4.14 113.70 116.22 1wfm s SER 136 Ca 0.72 1.05 0.00 0.00 0.70 0.00 0.00 55.95 58.42 1wfm s SER 136 Cb -0.07 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1wfm s SER 136 CO 0.54 -2.25 0.00 -1.20 1.20 0.00 0.00 173.24 171.54 1wfm n SER 137 N 12.67 -2.28 0.00 5.45 7.64 -1.26 -5.34 113.62 130.50 1wfm n SER 137 Ca 0.27 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1wfm n SER 137 Cb 0.50 2.32 0.00 0.00 -1.01 0.00 0.00 64.21 66.02 1wfm n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64