#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 -0.34 -0.25 1.61 1.04 -1.26 -5.18 113.70 109.32 1wfm s SER 2 Ca 0.00 0.20 -0.34 0.00 0.48 0.00 0.00 55.95 56.29 1wfm s SER 2 Cb 0.00 0.32 0.16 0.00 0.10 0.00 0.00 66.02 66.60 1wfm s SER 2 CO 0.00 -0.44 1.30 -0.55 0.98 0.00 0.00 173.24 174.53 1wfm s SER 3 N -1.76 -0.08 -0.08 7.02 0.15 -1.26 -5.19 113.70 112.50 1wfm s SER 3 Ca 0.02 0.04 -0.31 0.00 0.70 0.00 0.00 55.95 56.40 1wfm s SER 3 Cb -0.01 0.07 0.12 0.00 -1.71 0.00 0.00 66.02 64.49 1wfm s SER 3 CO -0.03 -0.11 1.38 -0.83 1.20 0.00 0.00 173.24 174.85 1wfm s GLY 4 N -1.63 -0.31 -0.19 9.45 0.00 -1.26 -5.19 107.32 108.19 1wfm s GLY 4 Ca 0.09 0.43 -0.36 0.00 0.00 0.00 0.00 44.72 44.89 1wfm s GLY 4 CO -0.05 4.17 1.33 -1.35 0.00 0.00 0.00 173.10 177.20 1wfm s SER 5 N -3.58 -0.05 -0.20 1.64 1.04 -1.26 -5.19 113.70 106.10 1wfm s SER 5 Ca 0.25 -0.02 -0.36 0.00 0.48 0.00 0.00 55.95 56.30 1wfm s SER 5 Cb 0.03 0.07 0.15 0.00 0.10 0.00 0.00 66.02 66.37 1wfm s SER 5 CO -0.04 -0.12 1.35 -0.94 0.98 0.00 0.00 173.24 174.47 1wfm s SER 6 N -2.36 -0.04 0.14 7.02 1.04 -1.26 -5.19 113.70 113.05 1wfm s SER 6 Ca 0.12 -0.02 -0.19 0.00 0.48 0.00 0.00 55.95 56.35 1wfm s SER 6 Cb 0.01 0.05 0.05 0.00 0.10 0.00 0.00 66.02 66.23 1wfm s SER 6 CO -0.04 -0.09 0.49 -0.83 0.98 0.00 0.00 173.24 173.75 1wfm s GLY 7 N -2.36 -0.39 -0.27 7.32 0.00 -1.26 -5.18 107.32 105.19 1wfm s GLY 7 Ca 0.12 0.14 -0.38 0.00 0.00 0.00 0.00 44.72 44.60 1wfm s GLY 7 CO -0.04 -0.13 1.35 -1.35 0.00 0.00 0.00 173.10 172.93 1wfm s SER 8 N -2.79 -0.04 -0.30 1.64 1.04 -1.26 -5.15 113.70 106.84 1wfm s SER 8 Ca 0.03 -0.00 -0.13 0.00 0.48 0.00 0.00 55.95 56.33 1wfm s SER 8 Cb 0.01 0.04 0.18 0.00 0.10 0.00 0.00 66.02 66.34 1wfm s SER 8 CO -0.12 -0.06 1.04 0.86 0.98 0.00 0.00 173.24 175.94 1wfm s TRP 9 N -2.11 -0.57 0.00 5.02 -0.11 -1.26 -5.12 118.94 114.79 1wfm s TRP 9 Ca 0.11 0.63 0.00 0.00 1.22 0.00 0.00 56.10 58.07 1wfm s TRP 9 Cb -0.01 0.21 0.00 0.00 -1.50 0.00 0.00 33.47 32.17 1wfm s TRP 9 CO -0.03 -0.31 0.00 0.09 -4.62 0.00 0.00 176.95 172.08 1wfm n ASN 10 N 5.42 0.00 -1.28 5.86 4.13 -1.26 -5.15 115.26 122.98 1wfm n ASN 10 Ca -0.07 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.19 1wfm n ASN 10 Cb 0.54 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 1wfm n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wfm n GLN 11 N 0.00 -3.39 -3.83 3.52 3.00 -1.26 -4.92 117.38 110.50 1wfm n GLN 11 Ca 0.00 2.63 -0.37 0.00 -0.01 0.00 0.00 57.00 59.25 1wfm n GLN 11 Cb 0.00 -3.26 -0.06 0.00 0.00 0.00 0.00 30.24 26.92 1wfm n GLN 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1wfm s ALA 12 N -5.02 3.86 -0.01 -1.58 0.00 -1.26 -5.06 121.76 112.69 1wfm s ALA 12 Ca 0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 1wfm s ALA 12 Cb 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 1wfm s ALA 12 CO 0.00 0.62 1.20 -1.25 0.00 0.00 0.00 175.76 176.33 1wfm s PRO 13 N -1.19 4.38 -0.01 0.00 0.04 -1.26 -4.85 135.00 132.11 1wfm s PRO 13 Ca 0.18 1.71 0.04 0.00 0.04 0.00 0.00 61.00 62.97 1wfm s PRO 13 Cb -0.13 -3.49 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 1wfm s PRO 13 CO 0.08 -0.37 -0.10 0.15 0.04 0.00 0.00 177.00 176.79 1wfm s LYS 14 N 1.79 2.47 -0.21 4.56 1.02 -1.07 0.12 119.74 128.42 1wfm s LYS 14 Ca 0.57 -0.75 -0.05 0.00 0.02 0.00 0.00 55.97 55.76 1wfm s LYS 14 Cb -0.26 -2.42 0.07 0.00 -0.52 0.00 0.00 37.83 34.69 1wfm s LYS 14 CO 0.25 0.60 0.10 -1.17 -0.92 0.00 0.00 175.35 174.21 1wfm s LEU 15 N -1.22 0.42 0.39 3.17 2.96 0.36 0.16 118.68 124.91 1wfm s LEU 15 Ca 0.15 -0.82 -0.24 0.00 -0.22 0.00 0.00 54.13 53.00 1wfm s LEU 15 Cb -0.11 -0.28 -0.09 0.00 0.50 0.00 0.00 46.19 46.21 1wfm s LEU 15 CO 0.05 -0.38 1.02 -2.28 -1.32 0.00 0.00 176.35 173.45 1wfm s HIS 16 N 2.12 3.34 -0.26 5.38 5.65 0.18 -2.91 115.29 128.79 1wfm s HIS 16 Ca 0.04 1.66 -0.21 0.00 0.25 0.00 0.00 55.06 56.81 1wfm s HIS 16 Cb -0.16 -3.07 0.07 0.00 -1.18 0.00 0.00 32.58 28.24 1wfm s HIS 16 CO -0.18 -0.45 0.67 1.52 -0.65 0.00 0.00 174.74 175.66 1wfm s TYR 17 N -1.69 -0.85 -0.37 3.88 -0.85 -1.06 -2.61 117.35 113.79 1wfm s TYR 17 Ca 0.57 1.91 -0.00 0.00 -0.52 0.00 0.00 57.07 59.03 1wfm s TYR 17 Cb -0.20 0.38 0.10 0.00 0.38 0.00 0.00 41.96 42.62 1wfm s TYR 17 CO 0.26 -0.42 0.13 0.00 -1.52 0.00 0.00 175.55 174.00 1wfm s LEU 19 N 1.06 4.44 -0.30 0.00 1.43 -1.26 -2.23 118.68 121.82 1wfm s LEU 19 Ca 0.08 2.19 -0.05 0.00 -1.03 0.00 0.00 54.13 55.32 1wfm s LEU 19 Cb -0.21 -3.78 0.17 0.00 0.03 0.00 0.00 46.19 42.40 1wfm s LEU 19 CO -0.05 -0.23 0.66 -1.81 0.23 0.00 0.00 176.35 175.15 1wfm s ASP 20 N -1.09 -1.23 -0.34 2.29 1.11 -0.61 0.17 116.67 116.97 1wfm s ASP 20 Ca 0.48 1.04 -0.10 0.00 0.18 0.00 0.00 52.55 54.15 1wfm s ASP 20 Cb -0.29 2.14 0.01 0.00 1.07 0.00 0.00 42.92 45.85 1wfm s ASP 20 CO 0.37 -0.23 0.17 -0.47 1.18 0.00 0.00 175.17 176.18 1wfm s TYR 21 N 2.86 3.21 -1.04 4.23 5.04 -1.26 -0.89 117.35 129.50 1wfm s TYR 21 Ca 0.11 -0.84 -0.18 0.00 -2.44 0.00 0.00 57.07 53.73 1wfm s TYR 21 Cb -0.14 -2.38 0.13 0.00 0.35 0.00 0.00 41.96 39.93 1wfm s TYR 21 CO -0.20 -0.57 1.27 -0.51 -1.34 0.00 0.00 175.55 174.21 1wfm s ASP 22 N 1.56 6.75 0.52 4.32 1.11 -1.14 -4.82 116.67 124.97 1wfm s ASP 22 Ca 0.03 -2.28 0.40 0.00 0.18 0.00 0.00 52.55 50.88 1wfm s ASP 22 Cb -0.18 -2.42 1.58 0.00 1.07 0.00 0.00 42.92 42.97 1wfm s ASP 22 CO 0.06 -1.02 1.66 0.00 1.18 0.00 0.00 175.17 177.04 1wfm h GLN 24 N 0.04 -0.11 -0.19 0.00 4.20 -1.97 -2.19 115.11 114.89 1wfm h GLN 24 Ca 0.80 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.51 1wfm h GLN 24 Cb 2.97 0.02 0.00 0.00 0.30 0.00 0.00 27.48 30.78 1wfm h GLN 24 CO -0.13 -0.07 0.00 1.63 -0.67 0.00 0.00 178.83 179.59 1wfm n LYS 25 N -5.16 2.11 -4.17 1.46 5.02 0.40 -4.92 118.16 112.89 1wfm n LYS 25 Ca -0.07 -1.65 -0.35 0.00 -2.02 0.00 0.00 58.31 54.22 1wfm n LYS 25 Cb 0.09 -1.46 -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 0.90 -1.17 -3.78 7.82 0.00 0.60 -4.87 120.51 120.00 1wfm n ALA 26 Ca 0.17 -0.17 -0.26 0.00 0.00 0.00 0.00 53.44 53.19 1wfm n ALA 26 Cb 0.48 -2.17 -0.17 0.00 0.00 0.00 0.00 19.45 17.59 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 -6.84 1.52 0.83 0.00 0.41 -1.20 -1.73 118.70 111.69 1wfm s GLU 27 Ca 0.69 -0.28 -0.11 0.00 -0.41 0.00 0.00 54.97 54.86 1wfm s GLU 27 Cb -0.40 -1.50 0.09 0.00 -1.78 0.00 0.00 34.13 30.54 1wfm s GLU 27 CO 0.84 -0.19 1.09 -1.17 -0.49 0.00 0.00 175.26 175.34 1wfm s LEU 28 N 1.43 2.60 -0.07 1.80 2.96 0.56 -2.88 118.68 125.07 1wfm s LEU 28 Ca -0.00 1.54 -0.07 0.00 -0.22 0.00 0.00 54.13 55.38 1wfm s LEU 28 Cb -0.13 -4.12 0.02 0.00 0.50 0.00 0.00 46.19 42.46 1wfm s LEU 28 CO -0.05 -2.24 0.20 -0.36 -1.32 0.00 0.00 176.35 172.59 1wfm s PHE 29 N -2.98 -0.22 -0.54 5.38 0.40 -0.07 -1.37 117.98 118.58 1wfm s PHE 29 Ca 0.62 0.52 0.07 0.00 -0.60 0.00 0.00 56.93 57.54 1wfm s PHE 29 Cb -0.17 0.07 0.25 0.00 0.51 0.00 0.00 43.02 43.69 1wfm s PHE 29 CO 0.56 -0.12 0.66 0.28 0.70 0.00 0.00 175.22 177.30 1wfm n VAL 30 N 2.91 1.13 -0.30 -0.44 0.31 -0.78 -1.58 118.33 119.58 1wfm n VAL 30 Ca -0.13 -4.74 0.00 0.00 -0.01 0.00 0.00 64.34 59.46 1wfm n VAL 30 Cb 0.58 -2.03 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 1.06 0.00 -4.31 2.52 -2.24 -0.95 -2.59 114.28 107.77 1wfm n THR 31 Ca 0.26 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.72 1wfm n THR 31 Cb 0.46 -1.04 -0.09 0.00 -2.10 0.00 0.00 70.33 67.57 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 0.00 -1.20 -2.93 -0.78 5.12 -1.26 -1.07 116.66 114.55 1wfm n ARG 32 Ca 0.00 0.14 -0.41 0.00 -1.93 0.00 0.00 57.85 55.65 1wfm n ARG 32 Cb 0.00 -3.87 -0.04 0.00 -1.16 0.00 0.00 32.46 27.39 1wfm n ARG 32 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1wfm s LEU 33 N -7.32 4.28 -0.29 0.55 1.43 -1.25 -2.58 118.68 113.50 1wfm s LEU 33 Ca 0.14 1.28 -0.02 0.00 -1.03 0.00 0.00 54.13 54.49 1wfm s LEU 33 Cb -0.08 -3.23 0.17 0.00 0.03 0.00 0.00 46.19 43.08 1wfm s LEU 33 CO 0.99 -0.24 0.56 -1.61 0.23 0.00 0.00 176.35 176.29 1wfm s GLU 34 N 1.27 0.53 0.06 1.70 2.02 -1.07 -2.03 118.70 121.18 1wfm s GLU 34 Ca 0.41 0.97 -0.20 0.00 0.02 0.00 0.00 54.97 56.17 1wfm s GLU 34 Cb -0.18 0.41 -0.06 0.00 0.10 0.00 0.00 34.13 34.39 1wfm s GLU 34 CO 0.18 -0.58 0.59 0.00 0.02 0.00 0.00 175.26 175.47 1wfm s ALA 35 N 2.81 3.56 -0.68 5.21 0.00 0.25 0.50 121.76 133.41 1wfm s ALA 35 Ca 0.17 0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.24 1wfm s ALA 35 Cb -0.15 -2.68 0.22 0.00 0.00 0.00 0.00 23.12 20.51 1wfm s ALA 35 CO -0.20 0.34 0.66 0.28 0.00 0.00 0.00 175.76 176.85 1wfm n VAL 36 N 1.92 2.15 -3.55 0.00 0.31 0.43 -1.66 118.33 117.92 1wfm n VAL 36 Ca -0.09 -5.10 -0.13 0.00 -0.01 0.00 0.00 64.34 59.01 1wfm n VAL 36 Cb 0.51 -2.14 -0.05 0.00 -0.91 0.00 0.00 33.84 31.24 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 -2.07 0.00 -0.02 2.52 -1.32 -1.24 -2.60 115.64 110.92 1wfm s THR 37 Ca 0.34 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.85 1wfm s THR 37 Cb 0.07 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.05 1wfm s THR 37 CO -0.08 0.00 -0.12 -0.94 -2.21 0.00 0.00 174.62 171.28 1wfm s SER 38 N -1.28 1.45 -0.15 8.08 1.04 -1.26 -4.49 113.70 117.08 1wfm s SER 38 Ca -0.05 -0.22 -0.01 0.00 0.48 0.00 0.00 55.95 56.15 1wfm s SER 38 Cb -0.00 -0.23 -0.01 0.00 0.10 0.00 0.00 66.02 65.87 1wfm s SER 38 CO 0.04 0.13 -0.12 0.21 0.98 0.00 0.00 173.24 174.48 1wfm s ASN 39 N -0.15 3.97 -0.13 7.02 2.47 -1.26 -5.01 114.94 121.85 1wfm s ASN 39 Ca 0.02 -0.37 -0.12 0.00 0.42 0.00 0.00 52.86 52.82 1wfm s ASN 39 Cb -0.06 -1.62 -0.04 0.00 -1.45 0.00 0.00 41.25 38.08 1wfm s ASN 39 CO -0.00 0.12 -0.23 1.57 -3.72 0.00 0.00 177.10 174.84 1wfm n HIS 40 N 3.84 0.24 -2.10 0.43 -0.00 -1.26 -4.58 115.22 111.78 1wfm n HIS 40 Ca -0.18 0.10 -0.42 0.00 -0.00 0.00 0.00 57.72 57.22 1wfm n HIS 40 Cb 0.52 -0.47 -0.03 0.00 -0.00 0.00 0.00 29.99 30.01 1wfm n HIS 40 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1wfm s ASP 41 N -5.39 5.81 -0.19 0.26 2.15 -1.26 -4.10 116.67 113.96 1wfm s ASP 41 Ca -0.19 0.89 -0.04 0.00 0.43 0.00 0.00 52.55 53.65 1wfm s ASP 41 Cb 0.03 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 40.13 1wfm s ASP 41 CO 0.28 -1.84 0.07 0.61 -0.17 0.00 0.00 175.17 174.12 1wfm n GLY 42 N 5.43 -4.21 3.30 2.66 0.00 -1.26 -5.06 105.19 106.04 1wfm n GLY 42 Ca 0.20 0.64 -0.26 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.89 1.27 0.18 -0.02 0.00 -1.26 -4.97 107.32 101.63 1wfm s GLY 43 Ca -0.08 -1.23 -0.05 0.00 0.00 0.00 0.00 44.72 43.35 1wfm s GLY 43 CO 0.57 -1.20 0.32 0.00 0.00 0.00 0.00 173.10 172.79 1wfm n ASP 45 N -1.44 3.25 -4.31 0.00 9.92 -1.26 -4.10 116.55 118.61 1wfm n ASP 45 Ca -0.03 1.17 -0.28 0.00 -0.53 0.00 0.00 54.79 55.12 1wfm n ASP 45 Cb 0.27 -1.52 -0.14 0.00 -0.64 0.00 0.00 41.12 39.09 1wfm n ASP 45 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wfm s TYR 47 N -0.83 -0.18 0.10 0.00 1.13 -1.20 -1.90 117.35 114.46 1wfm s TYR 47 Ca 0.10 0.09 -0.14 0.00 -1.41 0.00 0.00 57.07 55.71 1wfm s TYR 47 Cb -0.09 0.16 -0.06 0.00 -1.10 0.00 0.00 41.96 40.86 1wfm s TYR 47 CO 0.02 -0.54 0.50 0.08 -2.51 0.00 0.00 175.55 173.11 1wfm s VAL 48 N -2.53 4.91 -0.04 -3.49 1.01 -1.26 -3.40 120.40 115.60 1wfm s VAL 48 Ca -0.05 0.81 -0.00 0.00 0.00 0.00 0.00 61.98 62.74 1wfm s VAL 48 Cb -0.01 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1wfm s VAL 48 CO -0.03 0.34 0.01 -1.58 0.00 0.00 0.00 175.10 173.84 1wfm s GLN 49 N -1.70 0.32 -0.31 2.72 0.74 -0.66 -2.32 119.66 118.45 1wfm s GLN 49 Ca 0.34 0.12 -0.02 0.00 0.05 0.00 0.00 55.36 55.84 1wfm s GLN 49 Cb -0.16 -0.58 0.05 0.00 1.10 0.00 0.00 33.01 33.43 1wfm s GLN 49 CO 0.18 -0.19 0.02 0.20 -0.55 0.00 0.00 175.29 174.95 1wfm s GLY 50 N 1.33 1.77 -0.12 2.59 0.00 0.15 0.57 107.32 113.61 1wfm s GLY 50 Ca -0.05 -1.82 -0.05 0.00 0.00 0.00 0.00 44.72 42.79 1wfm s GLY 50 CO -0.02 0.72 0.07 -0.45 0.00 0.00 0.00 173.10 173.42 1wfm s SER 51 N 1.29 5.81 0.16 1.64 0.15 -0.87 -2.10 113.70 119.78 1wfm s SER 51 Ca -0.04 0.27 0.09 0.00 0.70 0.00 0.00 55.95 56.97 1wfm s SER 51 Cb -0.20 -1.83 -0.04 0.00 -1.71 0.00 0.00 66.02 62.24 1wfm s SER 51 CO -0.01 0.35 -0.21 -0.69 1.20 0.00 0.00 173.24 173.87 1wfm s VAL 52 N -0.68 1.98 -0.24 4.45 1.01 0.58 -0.43 120.40 127.07 1wfm s VAL 52 Ca 0.12 -1.85 -0.03 0.00 0.00 0.00 0.00 61.98 60.22 1wfm s VAL 52 Cb -0.12 -1.87 0.08 0.00 0.00 0.00 0.00 36.38 34.47 1wfm s VAL 52 CO 0.02 -0.17 0.07 0.00 0.00 0.00 0.00 175.10 175.03 1wfm s ALA 53 N -1.66 1.05 0.45 5.51 0.00 -0.72 -0.47 121.76 125.91 1wfm s ALA 53 Ca 0.15 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.18 1wfm s ALA 53 Cb -0.08 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 1wfm s ALA 53 CO 0.07 -1.38 0.23 0.54 0.00 0.00 0.00 175.76 175.21 1wfm s ASN 54 N 1.85 4.49 0.59 0.00 4.22 0.97 -2.70 114.94 124.35 1wfm s ASN 54 Ca 0.04 -1.15 0.32 0.00 -2.14 0.00 0.00 52.86 49.93 1wfm s ASN 54 Cb -0.17 -0.20 1.83 0.00 1.28 0.00 0.00 41.25 44.00 1wfm s ASN 54 CO -0.17 -0.70 2.22 0.03 -2.04 0.00 0.00 177.10 176.44 1wfm h ARG 55 N 1.24 0.00 0.00 3.55 -0.00 -1.90 0.20 114.38 117.48 1wfm h ARG 55 Ca -0.42 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 58.94 1wfm h ARG 55 Cb 1.27 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.22 1wfm h ARG 55 CO 0.67 0.03 -0.58 1.79 0.00 0.00 0.00 179.97 181.88 1wfm h THR 56 N 0.00 1.18 0.00 2.04 1.35 -1.94 -3.49 112.91 112.05 1wfm h THR 56 Ca -0.00 -2.16 0.00 0.00 -0.55 0.00 0.00 66.41 63.70 1wfm h THR 56 Cb 0.10 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1wfm h THR 56 CO 0.00 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 1wfm n GLY 57 N 0.63 -0.34 3.14 5.82 0.00 0.06 -5.13 105.19 109.36 1wfm n GLY 57 Ca -0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 0.20 1.61 1.04 -1.26 -0.02 113.70 111.14 1wfm s SER 58 Ca 0.00 0.13 0.05 0.00 0.48 0.00 0.00 55.95 56.60 1wfm s SER 58 Cb 0.00 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.41 1wfm s SER 58 CO 0.00 -0.27 -0.07 0.68 0.98 0.00 0.00 173.24 174.56 1wfm s VAL 59 N -0.75 1.26 -0.02 5.02 -7.23 0.38 -4.97 120.40 114.08 1wfm s VAL 59 Ca -0.08 -2.08 -0.15 0.00 -1.81 0.00 0.00 61.98 57.85 1wfm s VAL 59 Cb -0.05 -2.11 0.03 0.00 0.56 0.00 0.00 36.38 34.80 1wfm s VAL 59 CO 0.02 -0.53 0.33 -1.61 -0.31 0.00 0.00 175.10 172.99 1wfm s GLU 60 N -3.77 0.68 0.16 4.82 2.02 -1.26 -0.31 118.70 121.04 1wfm s GLU 60 Ca 0.23 -0.16 -0.22 0.00 0.02 0.00 0.00 54.97 54.84 1wfm s GLU 60 Cb 0.03 0.30 0.06 0.00 0.10 0.00 0.00 34.13 34.63 1wfm s GLU 60 CO 0.06 -0.19 0.58 0.00 0.02 0.00 0.00 175.26 175.73 1wfm s ALA 61 N -1.29 -1.49 0.20 5.21 0.00 -0.89 -4.94 121.76 118.55 1wfm s ALA 61 Ca -0.13 0.38 -0.23 0.00 0.00 0.00 0.00 51.96 51.98 1wfm s ALA 61 Cb -0.05 0.86 0.05 0.00 0.00 0.00 0.00 23.12 23.98 1wfm s ALA 61 CO 0.04 -0.76 0.82 1.14 0.00 0.00 0.00 175.76 177.00 1wfm s GLN 62 N -3.76 1.46 0.53 0.00 1.03 -1.26 0.32 119.66 117.98 1wfm s GLN 62 Ca 0.02 -0.78 0.07 0.00 0.04 0.00 0.00 55.36 54.71 1wfm s GLN 62 Cb -0.01 0.51 0.06 0.00 0.03 0.00 0.00 33.01 33.60 1wfm s GLN 62 CO -0.12 -0.66 0.73 0.95 -2.54 0.00 0.00 175.29 173.65 1wfm s THR 63 N -3.60 2.51 0.85 3.63 -4.23 -0.98 -4.82 115.64 109.00 1wfm s THR 63 Ca 0.11 -0.92 -0.12 0.00 -1.18 0.00 0.00 61.69 59.57 1wfm s THR 63 Cb -0.03 -2.58 0.10 0.00 1.34 0.00 0.00 72.50 71.32 1wfm s THR 63 CO 0.03 0.00 1.10 0.00 -0.54 0.00 0.00 174.62 175.21 1wfm n ALA 64 N -2.17 -0.51 -2.60 3.99 0.00 -1.26 -4.67 120.51 113.29 1wfm n ALA 64 Ca 0.12 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 1wfm n ALA 64 Cb 0.60 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.84 1wfm n ALA 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wfm s LEU 65 N -5.40 4.35 0.12 0.00 1.02 -1.26 -4.75 118.68 112.76 1wfm s LEU 65 Ca 0.70 1.76 0.10 0.00 0.02 0.00 0.00 54.13 56.71 1wfm s LEU 65 Cb -0.27 -3.57 -0.04 0.00 0.02 0.00 0.00 46.19 42.33 1wfm s LEU 65 CO 0.54 -0.37 -0.24 -0.54 0.02 0.00 0.00 176.35 175.76 1wfm s LYS 66 N 1.26 1.29 0.43 1.70 1.02 -0.80 -4.93 119.74 119.71 1wfm s LYS 66 Ca 0.54 -1.29 -0.25 0.00 0.02 0.00 0.00 55.97 54.99 1wfm s LYS 66 Cb -0.23 -1.67 -0.08 0.00 -0.52 0.00 0.00 37.83 35.33 1wfm s LYS 66 CO 0.27 0.39 1.26 -1.59 -0.92 0.00 0.00 175.35 174.76 1wfm s LYS 67 N -2.07 3.86 0.19 1.68 0.00 -1.26 -0.86 119.74 121.29 1wfm s LYS 67 Ca 0.11 2.05 -0.33 0.00 0.00 0.00 0.00 55.97 57.80 1wfm s LYS 67 Cb -0.10 -2.63 -0.13 0.00 0.00 0.00 0.00 37.83 34.97 1wfm s LYS 67 CO 0.06 -0.55 1.61 -2.13 0.00 0.00 0.00 175.35 174.34 1wfm n ARG 68 N -0.10 2.38 -3.90 1.78 3.00 -1.26 -4.81 116.66 113.74 1wfm n ARG 68 Ca 0.05 0.85 -0.09 0.00 -0.00 0.00 0.00 57.85 58.66 1wfm n ARG 68 Cb 0.45 -2.64 -0.09 0.00 0.00 0.00 0.00 32.46 30.19 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 0.74 0.68 0.67 -0.14 -1.52 -1.26 -5.00 119.66 113.82 1wfm s GLN 69 Ca 0.75 -0.81 0.33 0.00 -1.95 0.00 0.00 55.36 53.69 1wfm s GLN 69 Cb -0.61 0.27 1.82 0.00 -0.22 0.00 0.00 33.01 34.28 1wfm s GLN 69 CO 0.38 -0.19 2.03 -0.07 -0.25 0.00 0.00 175.29 177.19 1wfm h LEU 70 N 3.34 0.00 -5.31 2.90 -0.00 -1.93 -3.27 115.31 111.04 1wfm h LEU 70 Ca -0.33 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.44 1wfm h LEU 70 Cb 1.19 0.00 -0.17 0.00 -0.00 0.00 0.00 40.66 41.68 1wfm h LEU 70 CO 0.52 0.00 -0.45 -2.28 -0.00 0.00 0.00 178.44 176.23 1wfm s HIS 71 N -4.12 -1.58 0.19 1.13 2.46 -1.26 -3.63 115.29 108.48 1wfm s HIS 71 Ca -0.04 -0.28 -0.30 0.00 0.47 0.00 0.00 55.06 54.91 1wfm s HIS 71 Cb 0.10 0.30 -0.08 0.00 -0.13 0.00 0.00 32.58 32.77 1wfm s HIS 71 CO 0.31 -1.19 0.98 0.99 -2.47 0.00 0.00 174.74 173.36 1wfm s THR 72 N 1.20 4.16 0.11 0.89 2.01 -0.67 -4.91 115.64 118.44 1wfm s THR 72 Ca 0.25 1.99 0.03 0.00 0.31 0.00 0.00 61.69 64.26 1wfm s THR 72 Cb -0.01 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 1wfm s THR 72 CO -0.06 0.40 -0.08 0.42 -0.69 0.00 0.00 174.62 174.61 1wfm s THR 73 N -0.63 0.82 0.46 -0.82 -4.23 -1.26 -0.58 115.64 109.40 1wfm s THR 73 Ca 0.44 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 59.09 1wfm s THR 73 Cb -0.26 -1.64 -0.01 0.00 1.34 0.00 0.00 72.50 71.93 1wfm s THR 73 CO 0.32 -0.79 0.10 0.26 -0.54 0.00 0.00 174.62 173.97 1wfm s TRP 74 N -3.34 1.77 -0.03 3.99 0.51 -0.86 -5.00 118.94 115.98 1wfm s TRP 74 Ca 0.11 -1.24 0.01 0.00 -2.12 0.00 0.00 56.10 52.87 1wfm s TRP 74 Cb 0.03 -1.28 -0.03 0.00 -0.81 0.00 0.00 33.47 31.38 1wfm s TRP 74 CO -0.03 -0.19 -0.01 0.39 -0.51 0.00 0.00 176.95 176.60 1wfm n GLU 75 N -1.07 1.75 -3.02 4.98 1.02 -1.26 -4.72 120.64 118.32 1wfm n GLU 75 Ca -0.11 0.01 -0.22 0.00 -0.02 0.00 0.00 57.16 56.82 1wfm n GLU 75 Cb 0.65 -1.07 0.01 0.00 -0.02 0.00 0.00 31.44 31.01 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 -2.07 3.02 0.24 3.49 -1.05 -1.26 -4.83 118.70 116.24 1wfm s GLU 76 Ca -0.03 -0.59 0.06 0.00 -0.15 0.00 0.00 54.97 54.25 1wfm s GLU 76 Cb 0.01 -2.59 -0.05 0.00 -0.44 0.00 0.00 34.13 31.06 1wfm s GLU 76 CO 0.09 -0.26 -0.06 0.20 0.95 0.00 0.00 175.26 176.18 1wfm s GLY 77 N -4.23 1.59 0.88 -3.83 0.00 -1.26 -4.64 107.32 95.82 1wfm s GLY 77 Ca 0.49 -1.77 -0.12 0.00 0.00 0.00 0.00 44.72 43.32 1wfm s GLY 77 CO 0.37 -1.75 1.10 1.08 0.00 0.00 0.00 173.10 173.91 1wfm s LEU 78 N -3.35 2.23 -0.32 0.66 2.01 -1.07 -4.77 118.68 114.08 1wfm s LEU 78 Ca 0.26 1.28 0.00 0.00 0.01 0.00 0.00 54.13 55.69 1wfm s LEU 78 Cb 0.03 -3.72 0.14 0.00 0.01 0.00 0.00 46.19 42.66 1wfm s LEU 78 CO 0.09 -2.46 0.30 -0.69 1.01 0.00 0.00 176.35 174.60 1wfm s VAL 79 N -3.08 -0.34 -0.22 -1.59 1.01 -1.26 -1.87 120.40 113.05 1wfm s VAL 79 Ca 0.63 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 1wfm s VAL 79 Cb -0.16 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 1wfm s VAL 79 CO 0.55 -0.54 0.13 -0.76 0.00 0.00 0.00 175.10 174.48 1wfm s LEU 80 N 2.02 4.00 -0.07 3.92 2.01 -0.47 -4.87 118.68 125.22 1wfm s LEU 80 Ca 0.12 0.09 -0.30 0.00 0.01 0.00 0.00 54.13 54.05 1wfm s LEU 80 Cb -0.15 -2.05 -0.03 0.00 0.01 0.00 0.00 46.19 43.97 1wfm s LEU 80 CO -0.23 0.09 1.23 -2.16 1.01 0.00 0.00 176.35 176.29 1wfm s PRO 81 N 0.87 4.33 0.01 1.29 0.04 -1.26 0.21 135.00 140.48 1wfm s PRO 81 Ca 0.06 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.66 1wfm s PRO 81 Cb -0.13 -3.59 0.02 0.00 0.04 0.00 0.00 34.50 30.84 1wfm s PRO 81 CO 0.03 -0.49 0.30 -1.17 0.04 0.00 0.00 177.00 175.70 1wfm s LEU 82 N 2.41 0.90 -0.12 -3.56 2.96 -0.71 -4.88 118.68 115.68 1wfm s LEU 82 Ca 0.56 -0.02 -0.09 0.00 -0.22 0.00 0.00 54.13 54.36 1wfm s LEU 82 Cb -0.25 1.26 -0.04 0.00 0.50 0.00 0.00 46.19 47.66 1wfm s LEU 82 CO 0.21 -0.50 0.18 0.00 -1.32 0.00 0.00 176.35 174.92 1wfm s ALA 83 N -1.73 3.80 0.61 5.97 0.00 -1.26 -4.08 121.76 125.08 1wfm s ALA 83 Ca -0.11 -0.59 0.31 0.00 0.00 0.00 0.00 51.96 51.57 1wfm s ALA 83 Cb -0.04 -2.08 1.71 0.00 0.00 0.00 0.00 23.12 22.71 1wfm s ALA 83 CO 0.02 0.48 1.96 1.49 0.00 0.00 0.00 175.76 179.71 1wfm h GLU 84 N 5.38 0.00 -0.00 0.00 4.81 -1.93 1.59 114.58 124.43 1wfm h GLU 84 Ca -0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1wfm h GLU 84 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1wfm h GLU 84 CO 0.63 0.00 -0.26 -0.85 -0.73 0.00 0.00 179.01 177.80 1wfm n GLU 85 N -2.86 0.16 0.00 1.92 0.28 -1.26 -3.41 120.64 115.46 1wfm n GLU 85 Ca -0.02 -0.07 0.04 0.00 -0.16 0.00 0.00 57.16 56.95 1wfm n GLU 85 Cb 0.32 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.67 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 -1.36 3.10 -0.30 3.44 1.02 0.52 -4.60 120.64 122.47 1wfm n GLU 86 Ca 0.08 -0.34 0.02 0.00 -0.02 0.00 0.00 57.16 56.90 1wfm n GLU 86 Cb 0.33 -0.94 0.09 0.00 -0.02 0.00 0.00 31.44 30.90 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 0.54 -0.88 -0.61 -4.62 3.38 -1.06 1.33 115.31 113.40 1wfm h LEU 87 Ca 0.00 0.26 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 1wfm h LEU 87 Cb 0.22 0.55 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1wfm h LEU 87 CO 0.00 -0.28 -0.43 1.55 0.09 0.00 0.00 178.44 179.37 1wfm h PRO 88 N -0.02 0.00 -0.81 1.13 0.13 -1.82 -2.94 132.00 127.67 1wfm h PRO 88 Ca 0.38 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.28 1wfm h PRO 88 Cb 0.61 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.60 1wfm h PRO 88 CO -0.86 0.43 0.29 0.25 -0.23 0.00 0.00 178.00 177.88 1wfm n THR 89 N -3.41 2.73 -4.06 1.56 -2.24 0.35 -4.90 114.28 104.31 1wfm n THR 89 Ca 0.01 -1.49 -0.08 0.00 -2.27 0.00 0.00 64.05 60.22 1wfm n THR 89 Cb 0.59 -0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 68.31 1wfm n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfm s ALA 90 N -2.77 0.41 -0.07 6.98 0.00 0.37 -3.76 121.76 122.92 1wfm s ALA 90 Ca 0.50 -1.03 -0.09 0.00 0.00 0.00 0.00 51.96 51.34 1wfm s ALA 90 Cb 0.40 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.77 1wfm s ALA 90 CO 0.12 -0.30 0.23 0.99 0.00 0.00 0.00 175.76 176.80 1wfm s THR 91 N -3.18 0.02 0.11 0.00 2.01 -1.10 -4.53 115.64 108.97 1wfm s THR 91 Ca 0.00 -0.14 0.04 0.00 0.31 0.00 0.00 61.69 61.90 1wfm s THR 91 Cb 0.03 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 72.13 1wfm s THR 91 CO -0.07 -0.07 0.12 -0.22 -0.69 0.00 0.00 174.62 173.68 1wfm s LEU 92 N -0.21 3.86 -0.19 4.42 2.96 -1.20 -1.76 118.68 126.56 1wfm s LEU 92 Ca -0.03 -0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.81 1wfm s LEU 92 Cb -0.03 -2.50 0.09 0.00 0.50 0.00 0.00 46.19 44.25 1wfm s LEU 92 CO 0.01 0.13 0.25 -0.89 -1.32 0.00 0.00 176.35 174.52 1wfm s THR 93 N -1.54 -0.37 0.02 3.68 2.01 0.43 -1.98 115.64 117.89 1wfm s THR 93 Ca 0.30 -0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.97 1wfm s THR 93 Cb -0.11 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 1wfm s THR 93 CO 0.23 -0.13 1.08 -0.76 -0.69 0.00 0.00 174.62 174.35 1wfm s LEU 94 N 2.37 4.37 -0.11 4.42 1.43 0.24 -2.06 118.68 129.33 1wfm s LEU 94 Ca 0.07 1.81 -0.01 0.00 -1.03 0.00 0.00 54.13 54.97 1wfm s LEU 94 Cb -0.15 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.53 1wfm s LEU 94 CO -0.12 -0.36 -0.03 -0.89 0.23 0.00 0.00 176.35 175.18 1wfm s THR 95 N 1.07 0.73 -0.61 5.49 2.01 0.19 0.14 115.64 124.67 1wfm s THR 95 Ca 0.55 -0.21 -0.16 0.00 0.31 0.00 0.00 61.69 62.18 1wfm s THR 95 Cb -0.25 -0.88 0.14 0.00 0.01 0.00 0.00 72.50 71.52 1wfm s THR 95 CO 0.28 0.23 0.60 -0.22 -0.69 0.00 0.00 174.62 174.82 1wfm s LEU 96 N 1.82 6.08 0.30 4.42 2.96 -0.47 -1.65 118.68 132.14 1wfm s LEU 96 Ca 0.04 -1.87 -0.01 0.00 -0.22 0.00 0.00 54.13 52.07 1wfm s LEU 96 Cb -0.13 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 1wfm s LEU 96 CO -0.07 -0.87 0.50 -0.13 -1.32 0.00 0.00 176.35 174.46 1wfm s ARG 97 N 1.63 3.52 -0.08 1.98 0.52 -1.22 0.20 118.95 125.50 1wfm s ARG 97 Ca 0.08 -0.30 0.02 0.00 -0.52 0.00 0.00 55.73 55.01 1wfm s ARG 97 Cb -0.25 -2.71 -0.02 0.00 0.52 0.00 0.00 34.95 32.49 1wfm s ARG 97 CO 0.01 0.23 -0.13 0.95 0.02 0.00 0.00 175.30 176.39 1wfm s THR 98 N -2.16 3.14 0.00 0.02 -4.23 -1.26 -3.27 115.64 107.88 1wfm s THR 98 Ca 0.40 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 1wfm s THR 98 Cb -0.10 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1wfm s THR 98 CO 0.33 0.57 0.00 0.00 -0.54 0.00 0.00 174.62 174.98 1wfm n ASP 100 N 0.00 -8.01 -1.70 0.00 -0.08 -1.26 -4.46 116.55 101.04 1wfm n ASP 100 Ca 0.00 0.90 -0.17 0.00 -1.51 0.00 0.00 54.79 54.01 1wfm n ASP 100 Cb 0.00 -4.42 0.10 0.00 2.34 0.00 0.00 41.12 39.15 1wfm n ASP 100 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1wfm n ARG 101 N -4.10 2.73 -0.03 -0.67 1.85 -1.26 -4.57 116.66 110.61 1wfm n ARG 101 Ca -0.03 -3.64 -0.05 0.00 -1.00 0.00 0.00 57.85 53.13 1wfm n ARG 101 Cb 0.67 -2.08 -0.02 0.00 -1.05 0.00 0.00 32.46 29.97 1wfm n ARG 101 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1wfm n PHE 102 N -0.91 0.00 -3.42 2.89 3.72 -1.26 -5.01 117.46 113.46 1wfm n PHE 102 Ca 0.42 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.57 1wfm n PHE 102 Cb 0.92 -0.20 0.02 0.00 -0.94 0.00 0.00 39.48 39.28 1wfm n PHE 102 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1wfm n SER 103 N -2.91 -4.71 -4.80 4.37 2.88 -1.26 -4.95 113.62 102.23 1wfm n SER 103 Ca -0.10 -0.47 -0.23 0.00 -1.33 0.00 0.00 58.87 56.74 1wfm n SER 103 Cb 0.59 -3.82 -0.05 0.00 -0.75 0.00 0.00 64.21 60.18 1wfm n SER 103 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wfm s ARG 104 N -6.10 2.86 0.44 -1.46 1.70 -1.26 -4.99 118.95 110.13 1wfm s ARG 104 Ca 0.45 -1.04 0.00 0.00 -0.47 0.00 0.00 55.73 54.67 1wfm s ARG 104 Cb -0.22 -2.55 0.00 0.00 -0.57 0.00 0.00 34.95 31.61 1wfm s ARG 104 CO 0.55 0.42 0.00 0.72 -1.08 0.00 0.00 175.30 175.91 1wfm n HIS 105 N -0.93 -3.45 -0.34 5.89 8.25 -1.26 -4.92 115.22 118.46 1wfm n HIS 105 Ca -0.08 1.85 -0.13 0.00 -0.26 0.00 0.00 57.72 59.10 1wfm n HIS 105 Cb 0.57 -2.98 0.13 0.00 1.12 0.00 0.00 29.99 28.83 1wfm n HIS 105 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1wfm n SER 106 N -1.47 -2.76 -4.37 0.41 7.64 -1.26 -4.90 113.62 106.92 1wfm n SER 106 Ca 0.00 -0.38 -0.31 0.00 1.01 0.00 0.00 58.87 59.19 1wfm n SER 106 Cb 0.14 -0.60 0.20 0.00 -1.01 0.00 0.00 64.21 62.94 1wfm n SER 106 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1wfm n VAL 107 N -4.14 0.00 0.21 0.44 0.24 -1.26 -4.87 118.33 108.95 1wfm n VAL 107 Ca 0.06 -0.34 0.08 0.00 -2.04 0.00 0.00 64.34 62.11 1wfm n VAL 107 Cb 0.26 -0.76 0.43 0.00 -1.47 0.00 0.00 33.84 32.31 1wfm n VAL 107 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wfm h ALA 108 N -2.25 1.04 -1.25 2.33 0.00 0.20 -3.45 119.26 115.88 1wfm h ALA 108 Ca -0.55 -0.25 0.16 0.00 0.00 0.00 0.00 54.91 54.27 1wfm h ALA 108 Cb 1.34 -0.04 -0.31 0.00 0.00 0.00 0.00 17.79 18.78 1wfm h ALA 108 CO 0.42 0.34 0.64 0.20 0.00 0.00 0.00 179.25 180.85 1wfm s GLY 109 N -4.30 0.34 -0.24 0.00 0.00 -1.17 -4.72 107.32 97.23 1wfm s GLY 109 Ca 0.00 3.49 -0.06 0.00 0.00 0.00 0.00 44.72 48.15 1wfm s GLY 109 CO 0.65 2.50 0.01 -0.54 0.00 0.00 0.00 173.10 175.72 1wfm s GLU 110 N 0.89 3.50 0.06 2.90 2.02 -1.26 -1.37 118.70 125.44 1wfm s GLU 110 Ca -0.05 -0.56 0.07 0.00 0.02 0.00 0.00 54.97 54.45 1wfm s GLU 110 Cb -0.03 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 1wfm s GLU 110 CO -0.12 -0.20 -0.14 -1.17 0.02 0.00 0.00 175.26 173.65 1wfm s LEU 111 N 1.54 2.82 0.05 1.80 0.20 0.38 -1.46 118.68 124.02 1wfm s LEU 111 Ca 0.06 -0.38 0.06 0.00 0.69 0.00 0.00 54.13 54.56 1wfm s LEU 111 Cb -0.15 -1.65 -0.03 0.00 -0.43 0.00 0.00 46.19 43.93 1wfm s LEU 111 CO 0.00 0.23 -0.13 -0.60 -0.29 0.00 0.00 176.35 175.56 1wfm s ARG 112 N -1.69 2.20 0.27 1.98 6.06 -1.26 0.80 118.95 127.30 1wfm s ARG 112 Ca 0.17 -0.93 -0.08 0.00 -2.50 0.00 0.00 55.73 52.39 1wfm s ARG 112 Cb -0.11 -2.30 -0.01 0.00 0.06 0.00 0.00 34.95 32.60 1wfm s ARG 112 CO 0.08 0.55 0.43 -0.51 -2.50 0.00 0.00 175.30 173.35 1wfm s LEU 113 N -1.66 0.66 0.12 -0.88 1.43 -0.84 -4.91 118.68 112.60 1wfm s LEU 113 Ca 0.17 -1.18 0.06 0.00 -1.03 0.00 0.00 54.13 52.15 1wfm s LEU 113 Cb -0.11 1.48 -0.04 0.00 0.03 0.00 0.00 46.19 47.55 1wfm s LEU 113 CO 0.08 -1.15 -0.14 -0.83 0.23 0.00 0.00 176.35 174.54 1wfm s GLY 114 N -3.11 1.07 -0.08 -3.19 0.00 -1.26 -3.26 107.32 97.48 1wfm s GLY 114 Ca 0.27 -1.30 0.08 0.00 0.00 0.00 0.00 44.72 43.77 1wfm s GLY 114 CO 0.13 -1.36 0.04 1.04 0.00 0.00 0.00 173.10 172.95 1wfm n LEU 115 N 0.48 0.00 0.33 0.66 7.99 -1.26 -4.44 117.00 120.76 1wfm n LEU 115 Ca -0.15 0.00 0.20 0.00 -0.01 0.00 0.00 56.01 56.05 1wfm n LEU 115 Cb 0.57 0.19 1.07 0.00 -0.11 0.00 0.00 43.42 45.14 1wfm n LEU 115 CO 0.27 0.19 1.17 -0.78 -1.51 0.00 0.00 177.39 176.73 1wfm h ASP 116 N 0.00 0.00 -1.06 -1.43 3.58 -1.84 -3.46 116.42 112.20 1wfm h ASP 116 Ca -0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1wfm h ASP 116 Cb 1.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.48 1wfm h ASP 116 CO 0.01 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.98 1wfm n GLY 117 N -1.16 0.56 1.00 -0.78 0.00 -1.26 -4.96 105.19 98.59 1wfm n GLY 117 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1wfm n GLY 117 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wfm n THR 118 N -0.40 0.00 -0.19 2.61 5.66 -1.26 -4.91 114.28 115.78 1wfm n THR 118 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 1wfm n THR 118 Cb 0.18 -0.03 0.09 0.00 -1.55 0.00 0.00 70.33 69.02 1wfm n THR 118 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1wfm h SER 119 N 0.00 0.27 -3.66 1.09 0.02 -1.94 -3.42 113.55 105.90 1wfm h SER 119 Ca 0.00 0.06 -0.22 0.00 -0.84 0.00 0.00 61.79 60.80 1wfm h SER 119 Cb 0.00 0.03 -0.29 0.00 0.14 0.00 0.00 62.40 62.28 1wfm h SER 119 CO 0.00 0.17 -0.60 0.68 -1.14 0.00 0.00 176.83 175.94 1wfm s VAL 120 N -6.10 -0.02 0.87 2.27 -7.23 -1.26 -4.94 120.40 103.99 1wfm s VAL 120 Ca -0.13 0.06 -0.12 0.00 -1.81 0.00 0.00 61.98 59.98 1wfm s VAL 120 Cb 0.16 -0.18 0.11 0.00 0.56 0.00 0.00 36.38 37.04 1wfm s VAL 120 CO 0.74 0.03 1.12 -2.16 -0.31 0.00 0.00 175.10 174.52 1wfm s PRO 121 N 0.43 1.46 0.26 4.82 0.04 -1.26 -4.48 135.00 136.26 1wfm s PRO 121 Ca -0.03 0.40 0.01 0.00 0.04 0.00 0.00 61.00 61.42 1wfm s PRO 121 Cb -0.04 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1wfm s PRO 121 CO -0.02 -2.00 0.44 -0.51 0.04 0.00 0.00 177.00 174.95 1wfm s LEU 122 N -5.94 4.17 -1.28 -3.56 1.43 -1.26 -4.14 118.68 108.10 1wfm s LEU 122 Ca 0.63 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 1wfm s LEU 122 Cb -0.15 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 42.91 1wfm s LEU 122 CO 0.54 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.60 1wfm n GLY 123 N -1.16 1.15 3.01 -3.19 0.00 0.45 -4.91 105.19 100.54 1wfm n GLY 123 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.97 2.35 -0.12 4.61 0.00 -1.25 -5.02 121.76 120.36 1wfm s ALA 124 Ca 0.00 -1.66 -0.29 0.00 0.00 0.00 0.00 51.96 50.00 1wfm s ALA 124 Cb 0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 1wfm s ALA 124 CO 0.00 -1.23 1.15 0.00 0.00 0.00 0.00 175.76 175.68 1wfm s ALA 125 N 1.21 3.55 0.01 0.00 0.00 -1.26 -4.32 121.76 120.95 1wfm s ALA 125 Ca -0.06 0.46 -0.02 0.00 0.00 0.00 0.00 51.96 52.33 1wfm s ALA 125 Cb -0.19 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.38 1wfm s ALA 125 CO -0.06 -0.89 0.03 1.14 0.00 0.00 0.00 175.76 175.99 1wfm s GLN 126 N 2.67 0.30 0.53 0.00 -2.07 -1.16 -5.01 119.66 114.93 1wfm s GLN 126 Ca 0.52 -0.41 -0.11 0.00 -1.82 0.00 0.00 55.36 53.53 1wfm s GLN 126 Cb -0.21 0.12 -0.05 0.00 -1.09 0.00 0.00 33.01 31.77 1wfm s GLN 126 CO 0.17 -0.06 0.93 -1.58 -1.32 0.00 0.00 175.29 173.43 1wfm s TRP 127 N -1.13 3.55 -0.19 9.60 0.52 -1.26 -2.80 118.94 127.22 1wfm s TRP 127 Ca -0.12 1.21 -0.17 0.00 0.02 0.00 0.00 56.10 57.04 1wfm s TRP 127 Cb -0.07 -2.62 0.05 0.00 -1.15 0.00 0.00 33.47 29.68 1wfm s TRP 127 CO -0.00 -0.44 0.50 0.20 0.02 0.00 0.00 176.95 177.23 1wfm s GLY 128 N -3.71 -0.38 0.00 0.98 0.00 -1.15 -4.96 107.32 98.11 1wfm s GLY 128 Ca 0.54 1.46 -0.22 0.00 0.00 0.00 0.00 44.72 46.49 1wfm s GLY 128 CO 0.43 1.29 0.67 1.85 0.00 0.00 0.00 173.10 177.34 1wfm s GLU 129 N 0.39 4.40 0.17 2.90 2.12 -1.26 0.13 118.70 127.55 1wfm s GLU 129 Ca -0.01 0.87 -0.31 0.00 0.36 0.00 0.00 54.97 55.88 1wfm s GLU 129 Cb -0.04 -3.36 -0.09 0.00 0.26 0.00 0.00 34.13 30.90 1wfm s GLU 129 CO -0.01 0.30 1.38 -0.51 -0.54 0.00 0.00 175.26 175.88 1wfm s LEU 130 N -0.01 4.39 0.31 2.70 1.43 0.32 -4.88 118.68 122.94 1wfm s LEU 130 Ca 0.34 2.42 0.05 0.00 -1.03 0.00 0.00 54.13 55.92 1wfm s LEU 130 Cb -0.19 -3.60 0.52 0.00 0.03 0.00 0.00 46.19 42.95 1wfm s LEU 130 CO 0.19 -0.63 1.77 0.11 0.23 0.00 0.00 176.35 178.02 1wfm h LYS 131 N 6.07 0.35 0.00 1.70 1.79 -1.57 -3.43 116.57 121.48 1wfm h LYS 131 Ca -0.44 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 1wfm h LYS 131 Cb 1.21 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1wfm h LYS 131 CO 0.82 0.59 0.00 0.25 -1.08 0.00 0.00 179.45 180.03 1wfm n THR 132 N -4.14 0.00 -3.17 -0.16 -2.24 -1.25 -4.85 114.28 98.47 1wfm n THR 132 Ca -0.01 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1wfm n THR 132 Cb 0.39 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.63 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 -3.84 -5.90 0.00 3.42 7.64 -1.26 -4.74 113.62 108.94 1wfm n SER 133 Ca 0.00 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1wfm n SER 133 Cb 0.00 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 61.70 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 0.78 0.85 3.78 0.23 0.00 -1.26 -5.08 105.19 104.49 1wfm n GLY 134 Ca -0.03 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.00 4.15 0.37 1.61 0.04 -1.26 -4.48 135.00 133.43 1wfm s PRO 135 Ca 0.00 1.52 -0.24 0.00 0.04 0.00 0.00 61.00 62.32 1wfm s PRO 135 Cb 0.00 -2.54 -0.13 0.00 0.04 0.00 0.00 34.50 31.87 1wfm s PRO 135 CO 0.00 -0.15 0.65 0.45 0.04 0.00 0.00 177.00 177.98 1wfm n SER 136 N -0.08 -0.42 -2.91 6.66 2.88 -1.26 -3.85 113.62 114.64 1wfm n SER 136 Ca 0.05 0.99 -0.02 0.00 -1.33 0.00 0.00 58.87 58.57 1wfm n SER 136 Cb 0.49 -1.14 -0.01 0.00 -0.75 0.00 0.00 64.21 62.81 1wfm n SER 136 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wfm n SER 137 N 1.33 -5.58 0.00 -3.46 7.64 -1.26 -5.01 113.62 107.28 1wfm n SER 137 Ca 0.12 1.03 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1wfm n SER 137 Cb 0.36 -3.33 0.00 0.00 -1.01 0.00 0.00 64.21 60.23 1wfm n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64