#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfm s SER 2 N 0.00 -0.13 0.43 1.61 0.01 -1.26 -5.16 113.70 109.21 1wfm s SER 2 Ca 0.00 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1wfm s SER 2 Cb 0.00 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1wfm s SER 2 CO 0.00 -0.68 0.00 -0.24 0.41 0.00 0.00 173.24 172.73 1wfm n SER 3 N -0.50 -5.96 0.00 2.44 2.88 -1.26 -5.09 113.62 106.13 1wfm n SER 3 Ca -0.07 1.28 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1wfm n SER 3 Cb 0.61 -3.40 0.00 0.00 -0.75 0.00 0.00 64.21 60.67 1wfm n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfm n GLY 4 N -2.62 4.16 3.74 0.46 0.00 -1.26 -5.19 105.19 104.47 1wfm n GLY 4 Ca -0.02 -0.97 -0.02 0.00 0.00 0.00 0.00 46.02 45.02 1wfm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfm s SER 5 N 1.53 -0.12 -0.10 1.61 0.01 -1.26 -5.16 113.70 110.20 1wfm s SER 5 Ca 0.00 -0.36 -0.33 0.00 1.31 0.00 0.00 55.95 56.57 1wfm s SER 5 Cb 0.00 0.40 0.14 0.00 0.21 0.00 0.00 66.02 66.77 1wfm s SER 5 CO 0.00 -0.74 1.40 -0.44 0.41 0.00 0.00 173.24 173.87 1wfm s SER 6 N -3.01 -0.02 0.06 2.44 0.01 -1.26 -4.82 113.70 107.10 1wfm s SER 6 Ca 0.14 -0.03 -0.03 0.00 1.31 0.00 0.00 55.95 57.34 1wfm s SER 6 Cb 0.00 0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.28 1wfm s SER 6 CO 0.01 -0.07 0.14 0.61 0.41 0.00 0.00 173.24 174.33 1wfm n GLY 7 N -0.43 1.72 2.04 3.44 0.00 -1.26 -4.62 105.19 106.08 1wfm n GLY 7 Ca -0.08 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1wfm n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfm n SER 8 N -1.03 -0.89 -1.09 1.61 2.88 -1.26 -4.97 113.62 108.88 1wfm n SER 8 Ca -0.01 0.47 0.09 0.00 -1.33 0.00 0.00 58.87 58.08 1wfm n SER 8 Cb 0.10 1.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.51 1wfm n SER 8 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1wfm n TRP 9 N -3.26 -2.93 0.04 0.66 7.02 -1.26 -4.82 117.44 112.88 1wfm n TRP 9 Ca 0.00 1.61 -0.02 0.00 -1.02 0.00 0.00 57.50 58.07 1wfm n TRP 9 Cb 0.00 -2.65 -0.01 0.00 -2.42 0.00 0.00 31.31 26.23 1wfm n TRP 9 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 1wfm h ASN 10 N -0.70 -0.12 -4.33 -0.99 2.35 -2.03 -3.46 115.58 106.30 1wfm h ASN 10 Ca -0.10 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.18 1wfm h ASN 10 Cb 0.92 0.03 0.12 0.00 0.05 0.00 0.00 38.32 39.44 1wfm h ASN 10 CO 0.04 0.12 0.34 -1.10 -1.65 0.00 0.00 177.43 175.17 1wfm s GLN 11 N -1.94 1.74 0.02 0.81 1.11 -1.26 -5.09 119.66 115.05 1wfm s GLN 11 Ca -0.02 0.41 -0.02 0.00 0.01 0.00 0.00 55.36 55.74 1wfm s GLN 11 Cb 0.00 -1.90 -0.02 0.00 -1.01 0.00 0.00 33.01 30.09 1wfm s GLN 11 CO 0.06 -1.81 0.02 0.00 0.01 0.00 0.00 175.29 173.57 1wfm s ALA 12 N -3.28 0.06 -0.02 6.09 0.00 -1.26 -5.09 121.76 118.26 1wfm s ALA 12 Ca 0.62 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 51.71 1wfm s ALA 12 Cb -0.14 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1wfm s ALA 12 CO 0.53 -0.21 1.21 -1.25 0.00 0.00 0.00 175.76 176.04 1wfm s PRO 13 N -1.86 4.37 0.04 0.00 0.04 -1.26 -4.79 135.00 131.54 1wfm s PRO 13 Ca -0.12 1.71 0.05 0.00 0.04 0.00 0.00 61.00 62.68 1wfm s PRO 13 Cb -0.07 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 1wfm s PRO 13 CO -0.02 -0.40 -0.08 0.15 0.04 0.00 0.00 177.00 176.69 1wfm s LYS 14 N 1.93 2.40 -0.04 4.56 1.02 0.03 0.65 119.74 130.29 1wfm s LYS 14 Ca 0.57 -0.83 -0.01 0.00 0.02 0.00 0.00 55.97 55.72 1wfm s LYS 14 Cb -0.26 -2.42 0.03 0.00 -0.52 0.00 0.00 37.83 34.65 1wfm s LYS 14 CO 0.24 0.57 0.04 -1.17 -0.92 0.00 0.00 175.35 174.11 1wfm s LEU 15 N -1.67 0.51 0.05 3.17 2.96 0.14 0.19 118.68 124.03 1wfm s LEU 15 Ca 0.18 0.03 -0.14 0.00 -0.22 0.00 0.00 54.13 53.99 1wfm s LEU 15 Cb -0.11 -0.18 -0.06 0.00 0.50 0.00 0.00 46.19 46.34 1wfm s LEU 15 CO 0.10 -0.20 0.45 -2.28 -1.32 0.00 0.00 176.35 173.09 1wfm s HIS 16 N 1.80 3.70 -0.25 5.38 5.65 -0.21 -2.21 115.29 129.15 1wfm s HIS 16 Ca 0.01 1.01 -0.25 0.00 0.25 0.00 0.00 55.06 56.07 1wfm s HIS 16 Cb -0.12 -2.31 0.07 0.00 -1.18 0.00 0.00 32.58 29.04 1wfm s HIS 16 CO -0.03 0.58 0.70 1.52 -0.65 0.00 0.00 174.74 176.86 1wfm s TYR 17 N -1.20 -0.76 -0.26 3.88 1.13 -0.65 -2.88 117.35 116.61 1wfm s TYR 17 Ca 0.28 1.81 -0.02 0.00 -1.41 0.00 0.00 57.07 57.74 1wfm s TYR 17 Cb -0.16 0.27 0.03 0.00 -1.10 0.00 0.00 41.96 41.00 1wfm s TYR 17 CO 0.16 -0.39 -0.04 0.00 -2.51 0.00 0.00 175.55 172.77 1wfm s LEU 19 N 1.33 4.42 -0.30 0.00 2.01 -1.25 -1.24 118.68 123.63 1wfm s LEU 19 Ca -0.00 1.15 -0.03 0.00 0.01 0.00 0.00 54.13 55.25 1wfm s LEU 19 Cb -0.17 -2.91 0.18 0.00 0.01 0.00 0.00 46.19 43.30 1wfm s LEU 19 CO -0.04 0.11 0.63 -1.81 1.01 0.00 0.00 176.35 176.25 1wfm s ASP 20 N -0.21 -1.30 -0.38 2.29 1.11 -0.82 0.95 116.67 118.31 1wfm s ASP 20 Ca 0.31 0.99 -0.15 0.00 0.18 0.00 0.00 52.55 53.88 1wfm s ASP 20 Cb -0.18 2.16 0.01 0.00 1.07 0.00 0.00 42.92 45.98 1wfm s ASP 20 CO 0.17 -0.24 0.30 -0.47 1.18 0.00 0.00 175.17 176.11 1wfm s TYR 21 N 2.87 3.23 -1.04 4.23 5.04 -1.26 -1.59 117.35 128.82 1wfm s TYR 21 Ca 0.15 -0.40 -0.17 0.00 -2.44 0.00 0.00 57.07 54.21 1wfm s TYR 21 Cb -0.14 -2.60 0.14 0.00 0.35 0.00 0.00 41.96 39.71 1wfm s TYR 21 CO -0.20 -0.52 1.26 0.34 -1.34 0.00 0.00 175.55 175.09 1wfm s ASP 22 N 1.71 6.77 0.47 4.32 -1.08 -1.15 -4.83 116.67 122.89 1wfm s ASP 22 Ca 0.07 -2.33 0.36 0.00 -0.52 0.00 0.00 52.55 50.12 1wfm s ASP 22 Cb -0.18 -2.42 1.52 0.00 -1.46 0.00 0.00 42.92 40.38 1wfm s ASP 22 CO 0.11 -0.99 1.61 0.00 0.52 0.00 0.00 175.17 176.42 1wfm h GLN 24 N 0.05 0.16 -0.01 0.00 4.20 -1.97 -2.04 115.11 115.49 1wfm h GLN 24 Ca 0.85 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.55 1wfm h GLN 24 Cb 2.88 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 30.63 1wfm h GLN 24 CO -0.31 0.10 -0.29 1.63 -0.67 0.00 0.00 178.83 179.29 1wfm n LYS 25 N -5.03 0.98 -4.32 1.46 5.02 0.57 -4.93 118.16 111.91 1wfm n LYS 25 Ca -0.04 -0.64 -0.38 0.00 -2.02 0.00 0.00 58.31 55.23 1wfm n LYS 25 Cb 0.05 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.53 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 -0.45 -1.33 -3.56 7.82 0.00 0.76 -4.91 120.51 118.84 1wfm n ALA 26 Ca 0.12 -0.11 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1wfm n ALA 26 Cb 0.38 -2.91 -0.16 0.00 0.00 0.00 0.00 19.45 16.76 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 -7.04 0.79 0.36 0.00 0.41 -1.22 -2.33 118.70 109.67 1wfm s GLU 27 Ca 0.69 -0.11 -0.25 0.00 -0.41 0.00 0.00 54.97 54.89 1wfm s GLU 27 Cb -0.39 -0.79 -0.09 0.00 -1.78 0.00 0.00 34.13 31.08 1wfm s GLU 27 CO 0.96 -0.06 1.02 -1.17 -0.49 0.00 0.00 175.26 175.52 1wfm s LEU 28 N 0.81 4.24 0.02 1.80 1.98 0.61 -2.94 118.68 125.18 1wfm s LEU 28 Ca -0.11 1.98 0.06 0.00 -2.89 0.00 0.00 54.13 53.17 1wfm s LEU 28 Cb -0.14 -4.09 -0.02 0.00 0.66 0.00 0.00 46.19 42.61 1wfm s LEU 28 CO 0.00 -0.32 -0.18 -0.36 -1.89 0.00 0.00 176.35 173.61 1wfm s PHE 29 N -1.62 1.56 -0.46 5.38 0.08 -0.62 0.03 117.98 122.33 1wfm s PHE 29 Ca 0.54 -0.33 0.07 0.00 0.12 0.00 0.00 56.93 57.34 1wfm s PHE 29 Cb -0.21 -0.96 0.24 0.00 -0.57 0.00 0.00 43.02 41.52 1wfm s PHE 29 CO 0.27 0.02 0.57 0.28 -0.10 0.00 0.00 175.22 176.27 1wfm n VAL 30 N 2.24 0.13 -0.91 -0.44 0.31 -1.13 -1.94 118.33 116.59 1wfm n VAL 30 Ca -0.16 -4.32 0.00 0.00 -0.01 0.00 0.00 64.34 59.85 1wfm n VAL 30 Cb 0.54 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 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 1.34 0.00 -3.49 2.52 -2.24 -0.38 -2.49 114.28 109.54 1wfm n THR 31 Ca 0.24 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.80 1wfm n THR 31 Cb 0.49 -1.76 0.03 0.00 -2.10 0.00 0.00 70.33 67.00 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 -0.42 -1.45 -3.17 -0.78 5.12 -1.26 0.18 116.66 114.87 1wfm n ARG 32 Ca 0.00 0.78 -0.40 0.00 -1.93 0.00 0.00 57.85 56.30 1wfm n ARG 32 Cb 0.00 -4.53 -0.07 0.00 -1.16 0.00 0.00 32.46 26.70 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 -5.59 4.06 -0.36 0.55 2.01 -1.25 -1.63 118.68 116.46 1wfm s LEU 33 Ca 0.32 0.62 0.04 0.00 0.01 0.00 0.00 54.13 55.11 1wfm s LEU 33 Cb -0.10 -2.76 0.16 0.00 0.01 0.00 0.00 46.19 43.50 1wfm s LEU 33 CO 0.82 -0.33 0.41 -1.61 1.01 0.00 0.00 176.35 176.66 1wfm s GLU 34 N 2.39 0.62 0.18 1.70 2.02 -1.14 -1.99 118.70 122.49 1wfm s GLU 34 Ca 0.24 -0.62 -0.30 0.00 0.02 0.00 0.00 54.97 54.31 1wfm s GLU 34 Cb -0.16 -0.55 -0.07 0.00 0.10 0.00 0.00 34.13 33.45 1wfm s GLU 34 CO 0.09 -1.17 1.01 0.00 0.02 0.00 0.00 175.26 175.21 1wfm s ALA 35 N 1.67 3.32 -0.56 5.21 0.00 -0.86 -1.04 121.76 129.50 1wfm s ALA 35 Ca 0.16 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.85 1wfm s ALA 35 Cb -0.13 -3.29 0.14 0.00 0.00 0.00 0.00 23.12 19.84 1wfm s ALA 35 CO -0.09 -0.04 0.32 0.08 0.00 0.00 0.00 175.76 176.03 1wfm s VAL 36 N -0.44 2.45 -0.20 0.00 1.01 0.50 -2.48 120.40 121.24 1wfm s VAL 36 Ca 0.46 -3.46 -0.00 0.00 0.00 0.00 0.00 61.98 58.98 1wfm s VAL 36 Cb -0.27 -2.67 0.05 0.00 0.00 0.00 0.00 36.38 33.49 1wfm s VAL 36 CO 0.33 -0.88 -0.05 0.42 0.00 0.00 0.00 175.10 174.91 1wfm s THR 37 N -0.52 1.29 -0.50 3.92 -4.23 -1.26 -0.79 115.64 113.55 1wfm s THR 37 Ca 0.20 -0.90 -0.18 0.00 -1.18 0.00 0.00 61.69 59.63 1wfm s THR 37 Cb -0.19 -1.52 0.06 0.00 1.34 0.00 0.00 72.50 72.20 1wfm s THR 37 CO -0.05 0.02 0.56 -0.44 -0.54 0.00 0.00 174.62 174.17 1wfm s SER 38 N 1.53 6.20 -0.10 3.99 0.01 -1.26 -4.36 113.70 119.70 1wfm s SER 38 Ca -0.02 -1.06 -0.32 0.00 1.31 0.00 0.00 55.95 55.86 1wfm s SER 38 Cb -0.17 -2.26 0.12 0.00 0.21 0.00 0.00 66.02 63.92 1wfm s SER 38 CO -0.07 -0.83 1.08 0.54 0.41 0.00 0.00 173.24 174.37 1wfm s ASN 39 N 2.71 -0.22 -0.08 2.44 2.20 -1.26 -5.04 114.94 115.69 1wfm s ASN 39 Ca 0.12 -0.02 -0.06 0.00 -0.94 0.00 0.00 52.86 51.96 1wfm s ASN 39 Cb -0.21 0.25 0.03 0.00 -2.00 0.00 0.00 41.25 39.32 1wfm s ASN 39 CO 0.10 -0.41 0.20 -2.28 -2.94 0.00 0.00 177.10 171.78 1wfm s HIS 40 N -2.71 -0.24 0.00 1.54 2.46 -1.26 -4.93 115.29 110.15 1wfm s HIS 40 Ca 0.08 0.59 0.00 0.00 0.47 0.00 0.00 55.06 56.20 1wfm s HIS 40 Cb -0.01 0.05 0.00 0.00 -0.13 0.00 0.00 32.58 32.49 1wfm s HIS 40 CO -0.06 -0.14 0.00 -0.40 -2.47 0.00 0.00 174.74 171.67 1wfm n ASP 41 N 3.43 0.00 0.00 9.88 5.75 -1.26 -5.14 116.55 129.21 1wfm n ASP 41 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.61 1wfm n ASP 41 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1wfm n ASP 41 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wfm n GLY 42 N 0.00 0.14 3.53 6.12 0.00 -1.26 -4.95 105.19 108.77 1wfm n GLY 42 Ca 0.00 -1.16 -0.17 0.00 0.00 0.00 0.00 46.02 44.69 1wfm n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wfm s GLY 43 N 0.00 -0.54 -0.06 -0.02 0.00 -1.26 -5.13 107.32 100.30 1wfm s GLY 43 Ca 0.00 1.42 -0.29 0.00 0.00 0.00 0.00 44.72 45.85 1wfm s GLY 43 CO 0.00 1.09 0.89 0.00 0.00 0.00 0.00 173.10 175.07 1wfm s ASP 45 N -1.80 6.37 0.44 0.00 1.11 -1.26 -3.58 116.67 117.94 1wfm s ASP 45 Ca 0.00 -1.58 -0.19 0.00 0.18 0.00 0.00 52.55 50.96 1wfm s ASP 45 Cb -0.01 -2.37 -0.10 0.00 1.07 0.00 0.00 42.92 41.52 1wfm s ASP 45 CO -0.03 -1.17 0.94 0.00 1.18 0.00 0.00 175.17 176.09 1wfm s TYR 47 N -2.26 -0.27 0.19 0.00 1.13 -1.16 -2.52 117.35 112.45 1wfm s TYR 47 Ca 0.61 0.03 -0.11 0.00 -1.41 0.00 0.00 57.07 56.19 1wfm s TYR 47 Cb -0.09 0.29 -0.07 0.00 -1.10 0.00 0.00 41.96 40.99 1wfm s TYR 47 CO 0.17 -0.70 0.52 0.08 -2.51 0.00 0.00 175.55 173.12 1wfm s VAL 48 N -3.52 4.94 -0.07 -3.49 1.01 -1.26 -3.30 120.40 114.71 1wfm s VAL 48 Ca 0.01 0.54 -0.03 0.00 0.00 0.00 0.00 61.98 62.51 1wfm s VAL 48 Cb 0.01 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.78 1wfm s VAL 48 CO -0.10 0.06 0.13 -1.58 0.00 0.00 0.00 175.10 173.61 1wfm s GLN 49 N -2.47 0.01 -0.20 2.72 0.74 0.31 -2.64 119.66 118.12 1wfm s GLN 49 Ca 0.43 0.48 -0.05 0.00 0.05 0.00 0.00 55.36 56.26 1wfm s GLN 49 Cb -0.13 -0.32 -0.03 0.00 1.10 0.00 0.00 33.01 33.64 1wfm s GLN 49 CO 0.20 -0.29 0.01 0.20 -0.55 0.00 0.00 175.29 174.87 1wfm s GLY 50 N 2.08 1.74 -0.11 2.59 0.00 0.14 0.32 107.32 114.07 1wfm s GLY 50 Ca 0.02 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.76 1wfm s GLY 50 CO -0.05 0.25 -0.13 -1.35 0.00 0.00 0.00 173.10 171.82 1wfm s SER 51 N 1.01 4.01 0.03 1.64 1.04 0.04 0.18 113.70 121.66 1wfm s SER 51 Ca 0.02 -0.30 0.08 0.00 0.48 0.00 0.00 55.95 56.23 1wfm s SER 51 Cb -0.14 -1.44 -0.02 0.00 0.10 0.00 0.00 66.02 64.51 1wfm s SER 51 CO 0.02 0.21 -0.22 -0.69 0.98 0.00 0.00 173.24 173.53 1wfm s VAL 52 N 0.11 1.79 -0.20 5.02 1.01 -0.76 0.22 120.40 127.60 1wfm s VAL 52 Ca -0.06 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 60.73 1wfm s VAL 52 Cb -0.15 -1.54 0.04 0.00 0.00 0.00 0.00 36.38 34.74 1wfm s VAL 52 CO 0.05 0.30 -0.10 0.00 0.00 0.00 0.00 175.10 175.34 1wfm s ALA 53 N -0.75 1.97 0.20 5.51 0.00 -1.02 0.13 121.76 127.81 1wfm s ALA 53 Ca 0.09 -1.18 0.09 0.00 0.00 0.00 0.00 51.96 50.96 1wfm s ALA 53 Cb -0.09 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1wfm s ALA 53 CO 0.01 -0.80 -0.08 0.54 0.00 0.00 0.00 175.76 175.43 1wfm s ASN 54 N 1.41 4.30 0.63 0.00 2.20 0.19 -3.36 114.94 120.30 1wfm s ASN 54 Ca -0.01 -0.60 0.25 0.00 -0.94 0.00 0.00 52.86 51.56 1wfm s ASN 54 Cb -0.16 -0.74 1.25 0.00 -2.00 0.00 0.00 41.25 39.60 1wfm s ASN 54 CO -0.08 0.08 1.70 0.03 -2.94 0.00 0.00 177.10 175.88 1wfm h ARG 55 N 2.68 0.00 0.06 3.55 3.08 -1.89 1.46 114.38 123.31 1wfm h ARG 55 Ca -0.46 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.35 1wfm h ARG 55 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 1wfm h ARG 55 CO 0.56 0.00 -1.16 1.79 -1.07 0.00 0.00 179.97 180.09 1wfm h THR 56 N 0.00 1.56 0.00 2.04 1.35 -1.95 -3.50 112.91 112.42 1wfm h THR 56 Ca 0.16 -3.22 0.00 0.00 -0.55 0.00 0.00 66.41 62.80 1wfm h THR 56 Cb 1.39 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 70.67 1wfm h THR 56 CO -0.00 0.92 0.00 0.61 -0.25 0.00 0.00 175.52 176.79 1wfm n GLY 57 N 1.45 -0.38 3.64 5.82 0.00 0.50 -5.16 105.19 111.06 1wfm n GLY 57 Ca -0.05 0.30 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.39 0.30 1.61 1.04 -1.26 0.54 113.70 111.55 1wfm s SER 58 Ca 0.00 -0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.14 1wfm s SER 58 Cb 0.00 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.75 1wfm s SER 58 CO 0.00 -1.16 0.23 0.68 0.98 0.00 0.00 173.24 173.97 1wfm s VAL 59 N -3.85 0.05 -0.28 5.02 -7.23 0.35 -4.92 120.40 109.54 1wfm s VAL 59 Ca 0.07 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.06 1wfm s VAL 59 Cb -0.03 -2.49 0.08 0.00 0.56 0.00 0.00 36.38 34.50 1wfm s VAL 59 CO -0.02 0.00 0.73 -1.61 -0.31 0.00 0.00 175.10 173.89 1wfm s GLU 60 N -3.64 0.70 0.21 4.82 2.02 -1.26 -1.82 118.70 119.74 1wfm s GLU 60 Ca 0.39 1.12 0.02 0.00 0.02 0.00 0.00 54.97 56.52 1wfm s GLU 60 Cb 0.04 0.19 -0.05 0.00 0.10 0.00 0.00 34.13 34.41 1wfm s GLU 60 CO 0.23 -0.13 0.04 0.00 0.02 0.00 0.00 175.26 175.42 1wfm s ALA 61 N 1.32 1.50 0.26 5.21 0.00 0.13 -4.96 121.76 125.21 1wfm s ALA 61 Ca -0.07 -1.70 -0.21 0.00 0.00 0.00 0.00 51.96 49.98 1wfm s ALA 61 Cb -0.05 0.74 0.05 0.00 0.00 0.00 0.00 23.12 23.86 1wfm s ALA 61 CO -0.15 -0.37 0.84 1.14 0.00 0.00 0.00 175.76 177.22 1wfm s GLN 62 N -3.96 1.67 0.56 0.00 1.03 -1.26 0.24 119.66 117.94 1wfm s GLN 62 Ca 0.29 -0.98 0.05 0.00 0.04 0.00 0.00 55.36 54.76 1wfm s GLN 62 Cb 0.07 0.53 0.04 0.00 0.03 0.00 0.00 33.01 33.68 1wfm s GLN 62 CO 0.08 -0.77 0.38 0.95 -2.54 0.00 0.00 175.29 173.39 1wfm s THR 63 N -3.18 1.52 0.19 3.63 -4.23 -1.08 -4.79 115.64 107.70 1wfm s THR 63 Ca 0.14 -1.53 -0.30 0.00 -1.18 0.00 0.00 61.69 58.81 1wfm s THR 63 Cb -0.04 -2.05 -0.08 0.00 1.34 0.00 0.00 72.50 71.67 1wfm s THR 63 CO 0.07 0.00 1.17 0.00 -0.54 0.00 0.00 174.62 175.31 1wfm s ALA 64 N -2.81 3.42 0.72 3.99 0.00 -1.26 -4.75 121.76 121.08 1wfm s ALA 64 Ca 0.30 0.92 -0.17 0.00 0.00 0.00 0.00 51.96 53.02 1wfm s ALA 64 Cb -0.02 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 1wfm s ALA 64 CO 0.19 -0.33 0.26 1.28 0.00 0.00 0.00 175.76 177.16 1wfm n LEU 65 N 2.38 -0.79 0.00 0.00 7.99 -1.26 -4.92 117.00 120.40 1wfm n LEU 65 Ca 0.04 0.55 -0.09 0.00 -0.01 0.00 0.00 56.01 56.49 1wfm n LEU 65 Cb 0.45 -1.10 -0.03 0.00 -0.11 0.00 0.00 43.42 42.63 1wfm n LEU 65 CO 0.55 -3.76 -0.05 0.29 -1.51 0.00 0.00 177.39 172.91 1wfm n LYS 66 N 0.02 0.28 -3.59 3.23 4.76 -1.05 -5.02 118.16 116.80 1wfm n LYS 66 Ca 0.08 -1.49 -0.41 0.00 -2.87 0.00 0.00 58.31 53.62 1wfm n LYS 66 Cb 0.50 1.15 -0.10 0.00 -1.84 0.00 0.00 35.03 34.74 1wfm n LYS 66 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1wfm s LYS 67 N -2.62 2.73 -0.49 1.97 2.20 -1.26 -3.64 119.74 118.63 1wfm s LYS 67 Ca 0.16 -1.27 -0.46 0.00 -0.36 0.00 0.00 55.97 54.04 1wfm s LYS 67 Cb 0.01 -3.77 -0.20 0.00 -1.51 0.00 0.00 37.83 32.36 1wfm s LYS 67 CO 0.11 -0.83 1.67 -2.13 -0.36 0.00 0.00 175.35 173.81 1wfm n ARG 68 N 4.97 0.05 -4.01 4.03 0.00 -1.24 -4.88 116.66 115.58 1wfm n ARG 68 Ca -0.11 0.02 -0.19 0.00 -0.00 0.00 0.00 57.85 57.57 1wfm n ARG 68 Cb 0.44 -1.53 -0.07 0.00 0.00 0.00 0.00 32.46 31.31 1wfm n ARG 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1wfm n GLN 69 N 4.45 0.43 0.00 -0.14 1.13 -1.26 -5.01 117.38 116.99 1wfm n GLN 69 Ca 0.33 -2.97 0.10 0.00 -1.94 0.00 0.00 57.00 52.52 1wfm n GLN 69 Cb -0.05 2.19 0.46 0.00 0.11 0.00 0.00 30.24 32.95 1wfm n GLN 69 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1wfm n LEU 70 N 0.00 0.00 -2.85 1.08 4.77 -1.26 -4.36 117.00 114.38 1wfm n LEU 70 Ca 0.03 0.40 0.02 0.00 -0.03 0.00 0.00 56.01 56.43 1wfm n LEU 70 Cb 0.53 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1wfm n LEU 70 CO 0.28 -0.13 0.40 -2.28 -1.33 0.00 0.00 177.39 174.33 1wfm s HIS 71 N -2.81 -0.60 0.16 -1.77 5.04 -1.26 -4.13 115.29 109.91 1wfm s HIS 71 Ca 0.14 0.09 -0.17 0.00 -1.54 0.00 0.00 55.06 53.59 1wfm s HIS 71 Cb 0.13 0.11 -0.07 0.00 0.04 0.00 0.00 32.58 32.79 1wfm s HIS 71 CO 0.34 -0.41 0.60 0.99 -2.34 0.00 0.00 174.74 173.92 1wfm s THR 72 N 1.96 4.75 0.00 0.89 2.01 -1.04 -4.96 115.64 119.26 1wfm s THR 72 Ca 0.15 1.03 0.01 0.00 0.31 0.00 0.00 61.69 63.19 1wfm s THR 72 Cb 0.02 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1wfm s THR 72 CO -0.14 0.29 -0.05 0.42 -0.69 0.00 0.00 174.62 174.46 1wfm s THR 73 N -1.42 0.34 0.53 -0.82 -4.23 -1.26 -2.04 115.64 106.74 1wfm s THR 73 Ca 0.38 -0.32 0.07 0.00 -1.18 0.00 0.00 61.69 60.63 1wfm s THR 73 Cb -0.16 -0.32 0.04 0.00 1.34 0.00 0.00 72.50 73.40 1wfm s THR 73 CO 0.20 0.01 0.48 0.26 -0.54 0.00 0.00 174.62 175.02 1wfm s TRP 74 N -0.32 1.79 -0.10 3.99 0.51 -0.84 -5.03 118.94 118.95 1wfm s TRP 74 Ca -0.01 -0.75 0.04 0.00 -2.12 0.00 0.00 56.10 53.26 1wfm s TRP 74 Cb -0.03 -2.02 -0.08 0.00 -0.81 0.00 0.00 33.47 30.52 1wfm s TRP 74 CO -0.00 -0.54 -0.04 -1.91 -0.51 0.00 0.00 176.95 173.94 1wfm n GLU 75 N -1.82 1.24 -3.14 4.98 2.13 -1.26 -4.70 120.64 118.07 1wfm n GLU 75 Ca 0.03 0.03 -0.20 0.00 0.66 0.00 0.00 57.16 57.68 1wfm n GLU 75 Cb 0.63 -1.22 0.05 0.00 0.27 0.00 0.00 31.44 31.18 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 -2.21 2.29 0.34 5.31 -1.05 -1.26 -4.90 118.70 117.22 1wfm s GLU 76 Ca -0.10 -1.70 0.03 0.00 -0.15 0.00 0.00 54.97 53.05 1wfm s GLU 76 Cb 0.03 -2.58 -0.04 0.00 -0.44 0.00 0.00 34.13 31.11 1wfm s GLU 76 CO 0.29 -0.84 0.13 0.20 0.95 0.00 0.00 175.26 175.99 1wfm s GLY 77 N -4.63 2.25 0.88 -3.83 0.00 -1.26 -4.54 107.32 96.19 1wfm s GLY 77 Ca 0.59 -1.63 -0.14 0.00 0.00 0.00 0.00 44.72 43.53 1wfm s GLY 77 CO 0.37 -1.71 1.24 1.08 0.00 0.00 0.00 173.10 174.08 1wfm s LEU 78 N -3.47 2.57 -0.32 0.66 1.43 -1.04 -4.85 118.68 113.66 1wfm s LEU 78 Ca 0.32 0.56 0.04 0.00 -1.03 0.00 0.00 54.13 54.02 1wfm s LEU 78 Cb 0.05 -2.84 0.17 0.00 0.03 0.00 0.00 46.19 43.60 1wfm s LEU 78 CO 0.16 -2.30 0.49 -0.69 0.23 0.00 0.00 176.35 174.24 1wfm s VAL 79 N -3.71 -0.76 -0.20 -1.59 1.01 -1.25 -2.85 120.40 111.05 1wfm s VAL 79 Ca 0.67 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 62.33 1wfm s VAL 79 Cb -0.08 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1wfm s VAL 79 CO 0.51 -0.20 0.08 -0.76 0.00 0.00 0.00 175.10 174.73 1wfm s LEU 80 N 2.39 3.81 0.10 3.92 2.01 0.10 -4.81 118.68 126.20 1wfm s LEU 80 Ca 0.12 0.05 -0.30 0.00 0.01 0.00 0.00 54.13 54.00 1wfm s LEU 80 Cb -0.11 -1.98 -0.06 0.00 0.01 0.00 0.00 46.19 44.05 1wfm s LEU 80 CO -0.23 0.13 1.15 -2.16 1.01 0.00 0.00 176.35 176.26 1wfm s PRO 81 N 0.61 4.49 0.12 1.29 0.04 -1.26 0.22 135.00 140.52 1wfm s PRO 81 Ca 0.04 1.73 -0.22 0.00 0.04 0.00 0.00 61.00 62.59 1wfm s PRO 81 Cb -0.13 -3.33 0.06 0.00 0.04 0.00 0.00 34.50 31.14 1wfm s PRO 81 CO 0.01 -0.13 0.54 -1.17 0.04 0.00 0.00 177.00 176.29 1wfm s LEU 82 N 0.54 -0.24 -0.09 -3.56 2.96 -0.98 -4.86 118.68 112.45 1wfm s LEU 82 Ca 0.55 0.00 -0.02 0.00 -0.22 0.00 0.00 54.13 54.44 1wfm s LEU 82 Cb -0.29 2.32 -0.03 0.00 0.50 0.00 0.00 46.19 48.68 1wfm s LEU 82 CO 0.31 -0.87 0.01 0.00 -1.32 0.00 0.00 176.35 174.49 1wfm s ALA 83 N -3.34 3.31 0.51 5.97 0.00 -1.26 -4.12 121.76 122.84 1wfm s ALA 83 Ca -0.01 -0.79 0.30 0.00 0.00 0.00 0.00 51.96 51.46 1wfm s ALA 83 Cb -0.00 -1.52 1.63 0.00 0.00 0.00 0.00 23.12 23.23 1wfm s ALA 83 CO -0.09 0.57 1.91 1.49 0.00 0.00 0.00 175.76 179.64 1wfm h GLU 84 N 5.23 0.00 -0.00 0.00 4.81 -1.94 1.46 114.58 124.14 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 0.55 0.00 -0.28 -0.85 -0.73 0.00 0.00 179.01 177.70 1wfm n GLU 85 N -2.77 0.11 -0.06 1.92 0.28 -1.26 -3.39 120.64 115.48 1wfm n GLU 85 Ca -0.02 -0.05 0.02 0.00 -0.16 0.00 0.00 57.16 56.95 1wfm n GLU 85 Cb 0.29 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 31.71 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 -1.40 2.94 0.02 3.44 1.02 0.49 -4.66 120.64 122.48 1wfm n GLU 86 Ca 0.07 -1.69 -0.12 0.00 -0.02 0.00 0.00 57.16 55.40 1wfm n GLU 86 Cb 0.33 -1.10 -0.07 0.00 -0.02 0.00 0.00 31.44 30.59 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 0.64 0.04 -0.06 -4.62 3.38 -1.33 0.24 115.31 113.60 1wfm h LEU 87 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1wfm h LEU 87 Cb 0.58 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1wfm h LEU 87 CO 0.00 0.10 0.00 -0.81 0.09 0.00 0.00 178.44 177.82 1wfm n PRO 88 N -5.03 0.04 -0.77 1.13 -0.04 -1.26 -2.37 135.00 126.69 1wfm n PRO 88 Ca -0.07 0.16 0.01 0.00 -0.04 0.00 0.00 63.50 63.56 1wfm n PRO 88 Cb 0.06 -1.56 0.19 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.63 2.31 -3.85 0.52 -2.24 -0.69 -4.88 114.28 103.83 1wfm n THR 89 Ca 0.05 -3.25 -0.11 0.00 -2.27 0.00 0.00 64.05 58.47 1wfm n THR 89 Cb 0.27 -0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 68.06 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 -3.28 -0.40 0.06 6.98 0.00 0.77 -4.10 121.76 121.79 1wfm s ALA 90 Ca 0.41 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.32 1wfm s ALA 90 Cb 0.38 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 1wfm s ALA 90 CO -0.05 -0.22 -0.07 0.99 0.00 0.00 0.00 175.76 176.42 1wfm s THR 91 N -1.39 0.53 -0.24 0.00 2.01 -1.22 -3.86 115.64 111.47 1wfm s THR 91 Ca -0.15 -1.40 0.00 0.00 0.31 0.00 0.00 61.69 60.46 1wfm s THR 91 Cb -0.07 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.47 1wfm s THR 91 CO 0.02 -0.60 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.03 1wfm s LEU 92 N -2.15 3.09 -0.26 4.42 1.98 -1.21 -2.43 118.68 122.11 1wfm s LEU 92 Ca -0.02 -0.99 -0.06 0.00 -2.89 0.00 0.00 54.13 50.17 1wfm s LEU 92 Cb -0.04 -1.60 -0.01 0.00 0.66 0.00 0.00 46.19 45.21 1wfm s LEU 92 CO -0.02 -0.13 0.05 -0.89 -1.89 0.00 0.00 176.35 173.47 1wfm s THR 93 N 1.25 3.90 0.25 3.68 2.01 0.13 -1.39 115.64 125.48 1wfm s THR 93 Ca -0.02 -0.51 -0.18 0.00 0.31 0.00 0.00 61.69 61.30 1wfm s THR 93 Cb -0.17 -2.91 -0.08 0.00 0.01 0.00 0.00 72.50 69.35 1wfm s THR 93 CO -0.06 0.23 0.72 -0.76 -0.69 0.00 0.00 174.62 174.06 1wfm s LEU 94 N 1.52 4.24 -0.04 4.42 1.43 0.19 -0.78 118.68 129.67 1wfm s LEU 94 Ca 0.04 1.34 -0.08 0.00 -1.03 0.00 0.00 54.13 54.41 1wfm s LEU 94 Cb -0.16 -3.74 0.01 0.00 0.03 0.00 0.00 46.19 42.34 1wfm s LEU 94 CO 0.01 -0.05 0.18 0.42 0.23 0.00 0.00 176.35 177.15 1wfm s THR 95 N -1.68 0.04 -0.35 5.49 -4.23 0.15 0.19 115.64 115.24 1wfm s THR 95 Ca 0.47 -0.33 0.03 0.00 -1.18 0.00 0.00 61.69 60.67 1wfm s THR 95 Cb -0.14 -0.37 0.10 0.00 1.34 0.00 0.00 72.50 73.43 1wfm s THR 95 CO 0.20 -0.18 0.08 -0.76 -0.54 0.00 0.00 174.62 173.41 1wfm s LEU 96 N -0.64 4.86 -0.01 4.79 1.43 0.10 -0.53 118.68 128.68 1wfm s LEU 96 Ca -0.07 -2.14 -0.03 0.00 -1.03 0.00 0.00 54.13 50.86 1wfm s LEU 96 Cb -0.04 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1wfm s LEU 96 CO 0.01 -0.41 0.18 -0.13 0.23 0.00 0.00 176.35 176.23 1wfm s ARG 97 N 0.94 3.41 -0.22 1.70 3.00 -1.21 0.41 118.95 126.99 1wfm s ARG 97 Ca 0.10 -0.33 -0.10 0.00 0.00 0.00 0.00 55.73 55.41 1wfm s ARG 97 Cb -0.20 -3.08 -0.05 0.00 0.00 0.00 0.00 34.95 31.62 1wfm s ARG 97 CO -0.07 0.68 0.13 0.95 0.00 0.00 0.00 175.30 176.98 1wfm s THR 98 N -1.31 5.17 -0.40 0.02 -4.23 -1.26 -2.99 115.64 110.64 1wfm s THR 98 Ca 0.27 0.11 -0.29 0.00 -1.18 0.00 0.00 61.69 60.60 1wfm s THR 98 Cb -0.13 -3.39 -0.08 0.00 1.34 0.00 0.00 72.50 70.24 1wfm s THR 98 CO 0.18 0.38 2.32 0.00 -0.54 0.00 0.00 174.62 176.97 1wfm s ASP 100 N 9.56 0.28 0.07 0.00 2.15 -1.26 -4.34 116.67 123.13 1wfm s ASP 100 Ca 1.04 -1.42 -0.13 0.00 0.43 0.00 0.00 52.55 52.47 1wfm s ASP 100 Cb -0.46 0.39 -0.03 0.00 -0.30 0.00 0.00 42.92 42.52 1wfm s ASP 100 CO 0.36 -0.86 1.23 -0.09 -0.17 0.00 0.00 175.17 175.65 1wfm h ARG 101 N 2.58 -0.01 0.00 4.34 2.43 -2.01 -3.18 114.38 118.54 1wfm h ARG 101 Ca -0.35 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.78 1wfm h ARG 101 Cb 1.25 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.72 1wfm h ARG 101 CO 0.52 -0.00 -0.46 1.19 -1.51 0.00 0.00 179.97 179.71 1wfm n PHE 102 N -3.97 0.00 -3.22 2.20 3.72 -1.26 -4.99 117.46 109.93 1wfm n PHE 102 Ca 0.01 -0.76 -0.15 0.00 -0.05 0.00 0.00 57.45 56.50 1wfm n PHE 102 Cb 0.11 -0.15 0.07 0.00 -0.94 0.00 0.00 39.48 38.58 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 -0.60 -5.27 -4.57 4.37 7.64 -1.20 -4.81 113.62 109.18 1wfm n SER 103 Ca 0.11 -0.65 -0.21 0.00 1.01 0.00 0.00 58.87 59.12 1wfm n SER 103 Cb 0.77 -4.98 -0.07 0.00 -1.01 0.00 0.00 64.21 58.92 1wfm n SER 103 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1wfm s ARG 104 N -4.58 2.04 0.00 1.43 1.81 -1.26 -1.36 118.95 117.02 1wfm s ARG 104 Ca 0.32 -0.25 0.00 0.00 -1.72 0.00 0.00 55.73 54.09 1wfm s ARG 104 Cb -0.04 -5.00 0.00 0.00 -0.45 0.00 0.00 34.95 29.46 1wfm s ARG 104 CO 0.70 -4.16 0.00 0.72 -0.68 0.00 0.00 175.30 171.89 1wfm n HIS 105 N 16.38 0.00 0.00 -0.53 8.25 -1.26 -5.01 115.22 133.05 1wfm n HIS 105 Ca 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.89 1wfm n HIS 105 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1wfm n HIS 105 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1wfm n SER 106 N 0.00 0.00 -3.75 0.41 2.88 -0.46 -4.77 113.62 107.92 1wfm n SER 106 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1wfm n SER 106 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1wfm n SER 106 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1wfm s VAL 107 N 0.00 -0.00 0.03 2.46 1.01 -1.26 -4.85 120.40 117.78 1wfm s VAL 107 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1wfm s VAL 107 Cb 0.00 -0.47 -0.25 0.00 0.00 0.00 0.00 36.38 35.66 1wfm s VAL 107 CO 0.00 0.01 0.95 0.00 0.00 0.00 0.00 175.10 176.06 1wfm h ALA 108 N 5.86 0.37 -1.12 5.51 0.00 -0.35 -3.47 119.26 126.06 1wfm h ALA 108 Ca -0.28 -1.11 0.16 0.00 0.00 0.00 0.00 54.91 53.68 1wfm h ALA 108 Cb 1.18 0.19 -0.25 0.00 0.00 0.00 0.00 17.79 18.91 1wfm h ALA 108 CO 0.30 1.24 0.25 0.20 0.00 0.00 0.00 179.25 181.24 1wfm s GLY 109 N -4.90 -0.16 -0.01 0.00 0.00 -1.15 -4.64 107.32 96.46 1wfm s GLY 109 Ca -0.05 3.06 0.02 0.00 0.00 0.00 0.00 44.72 47.74 1wfm s GLY 109 CO 0.84 3.11 -0.02 1.85 0.00 0.00 0.00 173.10 178.88 1wfm s GLU 110 N 2.24 2.74 0.04 2.90 2.12 -1.26 0.03 118.70 127.50 1wfm s GLU 110 Ca -0.04 -0.62 0.06 0.00 0.36 0.00 0.00 54.97 54.73 1wfm s GLU 110 Cb -0.06 -2.63 -0.02 0.00 0.26 0.00 0.00 34.13 31.68 1wfm s GLU 110 CO -0.17 0.63 -0.16 -1.17 -0.54 0.00 0.00 175.26 173.84 1wfm s LEU 111 N -1.41 2.16 -0.08 2.70 0.20 0.49 0.19 118.68 122.92 1wfm s LEU 111 Ca 0.18 -0.46 -0.01 0.00 0.69 0.00 0.00 54.13 54.53 1wfm s LEU 111 Cb -0.11 -0.74 -0.03 0.00 -0.43 0.00 0.00 46.19 44.88 1wfm s LEU 111 CO 0.08 0.09 -0.03 -0.60 -0.29 0.00 0.00 176.35 175.60 1wfm s ARG 112 N -1.08 2.94 0.26 1.98 6.06 -1.26 0.55 118.95 128.40 1wfm s ARG 112 Ca 0.04 -0.48 -0.01 0.00 -2.50 0.00 0.00 55.73 52.78 1wfm s ARG 112 Cb -0.08 -2.72 -0.03 0.00 0.06 0.00 0.00 34.95 32.19 1wfm s ARG 112 CO 0.01 0.65 0.27 -0.51 -2.50 0.00 0.00 175.30 173.22 1wfm s LEU 113 N -0.74 1.11 0.05 -0.88 1.43 -0.48 -4.96 118.68 114.22 1wfm s LEU 113 Ca 0.11 -1.40 0.05 0.00 -1.03 0.00 0.00 54.13 51.86 1wfm s LEU 113 Cb -0.11 0.81 -0.03 0.00 0.03 0.00 0.00 46.19 46.89 1wfm s LEU 113 CO 0.02 -1.01 -0.15 -0.83 0.23 0.00 0.00 176.35 174.61 1wfm s GLY 114 N -3.19 0.86 -0.20 -3.19 0.00 -1.26 -3.35 107.32 96.99 1wfm s GLY 114 Ca 0.35 -0.93 0.10 0.00 0.00 0.00 0.00 44.72 44.24 1wfm s GLY 114 CO 0.16 -0.92 -0.05 1.04 0.00 0.00 0.00 173.10 173.33 1wfm n LEU 115 N 1.63 1.26 -0.41 0.66 4.77 -1.25 -4.37 117.00 119.30 1wfm n LEU 115 Ca -0.19 -0.05 0.34 0.00 -0.03 0.00 0.00 56.01 56.08 1wfm n LEU 115 Cb 0.54 -0.08 0.62 0.00 -2.33 0.00 0.00 43.42 42.17 1wfm n LEU 115 CO 0.22 0.62 1.20 -2.24 -1.33 0.00 0.00 177.39 175.86 1wfm h ASP 116 N 0.00 0.29 0.00 -1.43 3.04 -1.68 -3.44 116.42 113.20 1wfm h ASP 116 Ca -0.49 0.16 0.00 0.00 -3.24 0.00 0.00 57.03 53.46 1wfm h ASP 116 Cb 1.96 0.14 0.00 0.00 -1.04 0.00 0.00 39.33 40.39 1wfm h ASP 116 CO -0.02 -0.20 0.00 0.61 -2.04 0.00 0.00 179.24 177.59 1wfm n GLY 117 N -1.46 1.07 0.00 7.15 0.00 -1.26 -4.85 105.19 105.84 1wfm n GLY 117 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.04 0.00 -0.08 2.61 -1.04 -1.26 -4.79 114.28 109.68 1wfm n THR 118 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1wfm n THR 118 Cb 0.00 -0.46 -0.02 0.00 -1.82 0.00 0.00 70.33 68.03 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 -0.69 -0.19 -4.26 8.00 7.64 -1.26 -4.36 113.62 118.49 1wfm n SER 119 Ca 0.00 1.09 -0.32 0.00 1.01 0.00 0.00 58.87 60.65 1wfm n SER 119 Cb 0.00 -0.42 -0.16 0.00 -1.01 0.00 0.00 64.21 62.61 1wfm n SER 119 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wfm s VAL 120 N -3.48 2.16 0.94 0.44 0.11 -1.26 -4.99 120.40 114.31 1wfm s VAL 120 Ca -0.02 -1.01 -0.13 0.00 -2.93 0.00 0.00 61.98 57.89 1wfm s VAL 120 Cb 0.02 -1.80 0.15 0.00 -1.53 0.00 0.00 36.38 33.22 1wfm s VAL 120 CO 0.11 0.56 1.15 -2.16 -3.33 0.00 0.00 175.10 171.44 1wfm s PRO 121 N 0.04 0.94 0.23 1.54 0.04 -1.26 -4.52 135.00 132.00 1wfm s PRO 121 Ca -0.09 0.21 -0.02 0.00 0.04 0.00 0.00 61.00 61.13 1wfm s PRO 121 Cb -0.15 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 1wfm s PRO 121 CO 0.06 -2.32 0.45 -0.51 0.04 0.00 0.00 177.00 174.72 1wfm s LEU 122 N -6.09 4.17 -0.79 -3.56 1.43 -1.26 -4.06 118.68 108.51 1wfm s LEU 122 Ca 0.65 0.52 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 1wfm s LEU 122 Cb -0.14 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1wfm s LEU 122 CO 0.53 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.63 1wfm n GLY 123 N -0.73 0.72 2.94 -3.19 0.00 0.27 -4.91 105.19 100.30 1wfm n GLY 123 Ca -0.04 -0.00 -0.31 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 -1.65 2.50 -0.06 4.61 0.00 -1.25 -5.02 121.76 120.90 1wfm s ALA 124 Ca 0.00 -2.25 -0.30 0.00 0.00 0.00 0.00 51.96 49.42 1wfm s ALA 124 Cb 0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 1wfm s ALA 124 CO 0.00 -1.65 1.26 0.00 0.00 0.00 0.00 175.76 175.37 1wfm s ALA 125 N 1.11 3.54 0.02 0.00 0.00 -1.26 -4.43 121.76 120.74 1wfm s ALA 125 Ca 0.09 0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.71 1wfm s ALA 125 Cb -0.19 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 1wfm s ALA 125 CO -0.12 -0.86 -0.04 1.14 0.00 0.00 0.00 175.76 175.88 1wfm s GLN 126 N 2.46 0.33 0.84 0.00 -2.07 -1.16 -5.01 119.66 115.04 1wfm s GLN 126 Ca 0.57 -0.51 -0.12 0.00 -1.82 0.00 0.00 55.36 53.49 1wfm s GLN 126 Cb -0.26 -0.06 0.09 0.00 -1.09 0.00 0.00 33.01 31.69 1wfm s GLN 126 CO 0.22 -0.00 1.14 -1.58 -1.32 0.00 0.00 175.29 173.75 1wfm s TRP 127 N -1.07 2.79 -0.28 9.60 0.52 -1.26 -3.58 118.94 125.65 1wfm s TRP 127 Ca -0.10 0.90 -0.23 0.00 0.02 0.00 0.00 56.10 56.69 1wfm s TRP 127 Cb -0.08 -3.33 0.12 0.00 -1.15 0.00 0.00 33.47 29.03 1wfm s TRP 127 CO -0.00 -1.96 0.99 0.20 0.02 0.00 0.00 176.95 176.20 1wfm s GLY 128 N -4.20 -0.17 0.23 0.98 0.00 -0.94 -4.97 107.32 98.26 1wfm s GLY 128 Ca 0.62 2.71 -0.29 0.00 0.00 0.00 0.00 44.72 47.76 1wfm s GLY 128 CO 0.52 1.98 0.91 -0.54 0.00 0.00 0.00 173.10 175.97 1wfm s GLU 129 N 0.48 4.78 0.12 2.90 2.02 -1.26 0.28 118.70 128.01 1wfm s GLU 129 Ca 0.00 1.41 -0.30 0.00 0.02 0.00 0.00 54.97 56.10 1wfm s GLU 129 Cb -0.05 -3.23 -0.06 0.00 0.10 0.00 0.00 34.13 30.89 1wfm s GLU 129 CO -0.08 0.51 1.11 -0.51 0.02 0.00 0.00 175.26 176.31 1wfm s LEU 130 N -1.26 4.44 -1.22 1.80 1.43 0.21 -4.82 118.68 119.25 1wfm s LEU 130 Ca 0.41 2.00 -0.05 0.00 -1.03 0.00 0.00 54.13 55.46 1wfm s LEU 130 Cb -0.25 -3.59 0.11 0.00 0.03 0.00 0.00 46.19 42.49 1wfm s LEU 130 CO 0.30 -0.29 2.44 0.29 0.23 0.00 0.00 176.35 179.32 1wfm n LYS 131 N 3.05 4.34 -0.34 1.70 4.76 0.51 -4.70 118.16 127.47 1wfm n LYS 131 Ca 0.05 -3.32 0.32 0.00 -2.87 0.00 0.00 58.31 52.50 1wfm n LYS 131 Cb 0.47 -2.57 0.58 0.00 -1.84 0.00 0.00 35.03 31.66 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 1.64 -0.34 -2.91 -0.18 -2.24 -1.26 -4.15 114.28 104.84 1wfm n THR 132 Ca 0.61 1.83 -0.07 0.00 -2.27 0.00 0.00 64.05 64.16 1wfm n THR 132 Cb 0.28 -2.99 0.01 0.00 -2.10 0.00 0.00 70.33 65.53 1wfm n THR 132 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wfm n SER 133 N -4.95 -7.55 0.00 3.42 7.64 -1.26 -4.78 113.62 106.14 1wfm n SER 133 Ca 0.36 0.85 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1wfm n SER 133 Cb 1.29 -4.44 0.00 0.00 -1.01 0.00 0.00 64.21 60.05 1wfm n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfm n GLY 134 N 0.39 1.54 0.08 0.23 0.00 -1.26 -4.88 105.19 101.28 1wfm n GLY 134 Ca 0.03 -2.20 -0.12 0.00 0.00 0.00 0.00 46.02 43.73 1wfm n GLY 134 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfm h PRO 135 N 0.00 -0.05 0.00 1.61 0.13 -1.88 -3.43 132.00 128.38 1wfm h PRO 135 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wfm h PRO 135 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1wfm h PRO 135 CO 0.00 0.59 0.00 0.45 -0.23 0.00 0.00 178.00 178.81 1wfm n SER 136 N -4.77 0.00 -4.78 1.44 2.88 -1.26 -4.88 113.62 102.25 1wfm n SER 136 Ca -0.08 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.13 1wfm n SER 136 Cb 0.33 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.84 1wfm n SER 136 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wfm s SER 137 N 0.00 5.14 0.00 -3.46 0.01 -1.26 -5.09 113.70 109.04 1wfm s SER 137 Ca 0.00 1.87 0.00 0.00 1.31 0.00 0.00 55.95 59.13 1wfm s SER 137 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1wfm s SER 137 CO 0.00 -1.60 0.00 0.61 0.41 0.00 0.00 173.24 172.66