#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 4.75 0.43 1.61 0.01 -1.26 -5.14 113.70 114.10 1wfm s SER 2 Ca 0.00 -0.95 0.08 0.00 1.31 0.00 0.00 55.95 56.39 1wfm s SER 2 Cb 0.00 -0.38 0.01 0.00 0.21 0.00 0.00 66.02 65.86 1wfm s SER 2 CO 0.00 -0.69 0.55 -0.55 0.41 0.00 0.00 173.24 172.96 1wfm s SER 3 N -4.07 5.48 0.00 2.44 0.15 -1.26 -5.12 113.70 111.32 1wfm s SER 3 Ca 0.43 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1wfm s SER 3 Cb -0.00 -0.55 0.00 0.00 -1.71 0.00 0.00 66.02 63.75 1wfm s SER 3 CO 0.25 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.51 1wfm n GLY 4 N -1.82 5.60 3.71 9.45 0.00 -1.26 -5.19 105.19 115.67 1wfm n GLY 4 Ca 0.08 -1.05 -0.08 0.00 0.00 0.00 0.00 46.02 44.97 1wfm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfm s SER 5 N 1.00 -0.14 0.22 1.61 0.15 -1.26 -5.19 113.70 110.09 1wfm s SER 5 Ca 0.00 -0.81 -0.00 0.00 0.70 0.00 0.00 55.95 55.84 1wfm s SER 5 Cb 0.00 0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 64.92 1wfm s SER 5 CO 0.00 -1.25 0.13 -0.55 1.20 0.00 0.00 173.24 172.77 1wfm s SER 6 N -2.98 0.48 0.08 5.45 0.15 -1.26 -4.87 113.70 110.76 1wfm s SER 6 Ca 0.18 -1.41 -0.27 0.00 0.70 0.00 0.00 55.95 55.15 1wfm s SER 6 Cb -0.03 0.34 0.08 0.00 -1.71 0.00 0.00 66.02 64.70 1wfm s SER 6 CO 0.08 -0.82 0.93 -0.83 1.20 0.00 0.00 173.24 173.80 1wfm s GLY 7 N -3.21 -0.34 0.16 9.45 0.00 -1.26 -5.08 107.32 107.03 1wfm s GLY 7 Ca 0.39 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.62 1wfm s GLY 7 CO 0.13 0.15 0.00 -1.26 0.00 0.00 0.00 173.10 172.12 1wfm n SER 8 N -0.37 -1.40 -3.38 1.64 2.88 -1.26 -4.93 113.62 106.80 1wfm n SER 8 Ca -0.07 0.53 -0.33 0.00 -1.33 0.00 0.00 58.87 57.66 1wfm n SER 8 Cb 0.61 1.56 0.03 0.00 -0.75 0.00 0.00 64.21 65.67 1wfm n SER 8 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1wfm n TRP 9 N -2.97 -2.85 -1.79 0.66 2.14 -1.26 -4.49 117.44 106.88 1wfm n TRP 9 Ca 0.00 1.18 0.00 0.00 2.07 0.00 0.00 57.50 60.75 1wfm n TRP 9 Cb 0.00 -2.24 0.00 0.00 -0.81 0.00 0.00 31.31 28.26 1wfm n TRP 9 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 1wfm n ASN 10 N -0.20 -7.58 -1.28 -0.67 2.85 -1.26 -4.96 115.26 102.17 1wfm n ASN 10 Ca -0.05 1.14 0.16 0.00 -0.11 0.00 0.00 54.58 55.73 1wfm n ASN 10 Cb 0.64 -4.24 -0.08 0.00 1.24 0.00 0.00 39.78 37.34 1wfm n ASN 10 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wfm n GLN 11 N 1.50 -2.94 -3.78 1.20 6.02 -1.26 -5.03 117.38 113.10 1wfm n GLN 11 Ca 0.00 2.36 -0.12 0.00 -0.01 0.00 0.00 57.00 59.23 1wfm n GLN 11 Cb 0.00 -3.44 -0.08 0.00 1.02 0.00 0.00 30.24 27.73 1wfm n GLN 11 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wfm s ALA 12 N -3.92 -0.66 -0.11 -1.58 0.00 -1.26 -4.66 121.76 109.56 1wfm s ALA 12 Ca 0.00 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 1wfm s ALA 12 Cb 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 1wfm s ALA 12 CO 0.00 -0.33 1.25 -1.25 0.00 0.00 0.00 175.76 175.43 1wfm s PRO 13 N -1.98 4.28 0.01 0.00 0.04 -1.26 -4.75 135.00 131.34 1wfm s PRO 13 Ca -0.09 1.69 0.01 0.00 0.04 0.00 0.00 61.00 62.65 1wfm s PRO 13 Cb -0.03 -3.68 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 1wfm s PRO 13 CO 0.00 -0.60 0.03 0.15 0.04 0.00 0.00 177.00 176.62 1wfm s LYS 14 N 2.94 2.87 -0.17 4.56 1.02 -0.04 0.24 119.74 131.16 1wfm s LYS 14 Ca 0.56 -0.59 -0.05 0.00 0.02 0.00 0.00 55.97 55.91 1wfm s LYS 14 Cb -0.23 -2.73 0.06 0.00 -0.52 0.00 0.00 37.83 34.41 1wfm s LYS 14 CO 0.18 0.62 0.11 -1.17 -0.92 0.00 0.00 175.35 174.17 1wfm s LEU 15 N -1.71 0.28 0.16 3.17 2.96 0.33 0.16 118.68 124.03 1wfm s LEU 15 Ca 0.22 -0.55 -0.21 0.00 -0.22 0.00 0.00 54.13 53.36 1wfm s LEU 15 Cb -0.12 -0.16 -0.08 0.00 0.50 0.00 0.00 46.19 46.34 1wfm s LEU 15 CO 0.13 -0.35 0.68 -2.28 -1.32 0.00 0.00 176.35 173.21 1wfm s HIS 16 N 2.16 3.77 -0.26 5.38 5.65 0.46 -3.14 115.29 129.31 1wfm s HIS 16 Ca 0.03 1.41 -0.24 0.00 0.25 0.00 0.00 55.06 56.51 1wfm s HIS 16 Cb -0.16 -2.61 0.07 0.00 -1.18 0.00 0.00 32.58 28.70 1wfm s HIS 16 CO -0.09 0.47 0.69 1.52 -0.65 0.00 0.00 174.74 176.67 1wfm s TYR 17 N -1.29 -0.76 -0.29 3.88 -0.85 -0.94 -2.46 117.35 114.63 1wfm s TYR 17 Ca 0.37 1.85 -0.04 0.00 -0.52 0.00 0.00 57.07 58.73 1wfm s TYR 17 Cb -0.19 0.27 0.03 0.00 0.38 0.00 0.00 41.96 42.45 1wfm s TYR 17 CO 0.22 -0.37 0.02 0.00 -1.52 0.00 0.00 175.55 173.90 1wfm s LEU 19 N 1.35 4.39 -0.27 0.00 2.01 -1.25 -0.74 118.68 124.16 1wfm s LEU 19 Ca -0.02 1.27 -0.04 0.00 0.01 0.00 0.00 54.13 55.36 1wfm s LEU 19 Cb -0.18 -3.09 0.15 0.00 0.01 0.00 0.00 46.19 43.08 1wfm s LEU 19 CO -0.00 -0.01 0.53 -0.62 1.01 0.00 0.00 176.35 177.25 1wfm s ASP 20 N 0.25 -0.79 -0.27 2.29 2.15 -0.66 0.19 116.67 119.83 1wfm s ASP 20 Ca 0.36 0.85 -0.15 0.00 0.43 0.00 0.00 52.55 54.05 1wfm s ASP 20 Cb -0.19 1.82 -0.04 0.00 -0.30 0.00 0.00 42.92 44.22 1wfm s ASP 20 CO 0.20 -0.26 0.37 -0.47 -0.17 0.00 0.00 175.17 174.84 1wfm s TYR 21 N 2.76 3.25 -0.96 -5.34 5.04 -1.26 -1.64 117.35 119.20 1wfm s TYR 21 Ca 0.11 0.42 -0.13 0.00 -2.44 0.00 0.00 57.07 55.02 1wfm s TYR 21 Cb -0.14 -2.57 0.22 0.00 0.35 0.00 0.00 41.96 39.82 1wfm s TYR 21 CO -0.18 -0.22 0.98 0.34 -1.34 0.00 0.00 175.55 175.13 1wfm s ASP 22 N 1.62 6.92 0.45 4.32 -1.08 -1.13 -4.86 116.67 122.92 1wfm s ASP 22 Ca 0.15 -2.86 0.32 0.00 -0.52 0.00 0.00 52.55 49.65 1wfm s ASP 22 Cb -0.16 -2.26 1.47 0.00 -1.46 0.00 0.00 42.92 40.51 1wfm s ASP 22 CO 0.10 -0.59 1.62 0.00 0.52 0.00 0.00 175.17 176.82 1wfm h GLN 24 N 0.07 0.18 0.00 0.00 4.20 -1.97 -2.16 115.11 115.44 1wfm h GLN 24 Ca 0.83 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.53 1wfm h GLN 24 Cb 2.71 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 30.45 1wfm h GLN 24 CO -0.37 0.12 -0.80 0.87 -0.67 0.00 0.00 178.83 177.98 1wfm h LYS 25 N 0.19 0.00 -5.82 1.46 1.57 0.20 -3.47 116.57 110.70 1wfm h LYS 25 Ca 0.13 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.50 1wfm h LYS 25 Cb 0.12 0.00 0.13 0.00 0.08 0.00 0.00 32.23 32.56 1wfm h LYS 25 CO -0.15 0.00 -0.68 0.00 -0.57 0.00 0.00 179.45 178.05 1wfm n ALA 26 N -2.09 -1.30 -3.01 3.86 0.00 0.74 -4.92 120.51 113.79 1wfm n ALA 26 Ca 0.01 0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.73 1wfm n ALA 26 Cb 0.52 -5.46 -0.14 0.00 0.00 0.00 0.00 19.45 14.37 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 -6.31 0.01 0.28 0.00 2.02 -1.23 -1.24 118.70 112.23 1wfm s GLU 27 Ca 0.58 0.04 -0.28 0.00 0.02 0.00 0.00 54.97 55.34 1wfm s GLU 27 Cb -0.26 -0.03 -0.09 0.00 0.10 0.00 0.00 34.13 33.85 1wfm s GLU 27 CO 0.72 -0.03 0.94 -1.17 0.02 0.00 0.00 175.26 175.74 1wfm s LEU 28 N 0.17 4.48 0.04 1.80 1.98 0.77 -2.82 118.68 125.10 1wfm s LEU 28 Ca -0.01 1.88 0.08 0.00 -2.89 0.00 0.00 54.13 53.19 1wfm s LEU 28 Cb -0.02 -3.82 -0.03 0.00 0.66 0.00 0.00 46.19 42.98 1wfm s LEU 28 CO -0.00 0.04 -0.22 -0.36 -1.89 0.00 0.00 176.35 173.91 1wfm s PHE 29 N -1.41 1.97 -0.53 5.38 0.40 -0.65 0.65 117.98 123.78 1wfm s PHE 29 Ca 0.46 -0.38 0.06 0.00 -0.60 0.00 0.00 56.93 56.47 1wfm s PHE 29 Cb -0.22 -1.19 0.23 0.00 0.51 0.00 0.00 43.02 42.35 1wfm s PHE 29 CO 0.28 0.09 0.58 0.28 0.70 0.00 0.00 175.22 177.14 1wfm n VAL 30 N 1.90 0.74 -0.53 -0.44 0.31 -1.04 -1.66 118.33 117.62 1wfm n VAL 30 Ca -0.17 -4.52 0.00 0.00 -0.01 0.00 0.00 64.34 59.64 1wfm n VAL 30 Cb 0.53 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 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 1.46 0.00 -3.88 2.52 -2.24 0.08 -2.67 114.28 109.55 1wfm n THR 31 Ca 0.25 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.65 1wfm n THR 31 Cb 0.45 -1.96 0.03 0.00 -2.10 0.00 0.00 70.33 66.75 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 -0.45 -0.75 -3.25 -0.78 5.12 -1.26 0.99 116.66 116.28 1wfm n ARG 32 Ca 0.00 0.31 -0.39 0.00 -1.93 0.00 0.00 57.85 55.84 1wfm n ARG 32 Cb 0.00 -3.18 -0.06 0.00 -1.16 0.00 0.00 32.46 28.06 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 -6.78 4.17 -0.29 0.55 1.43 -1.25 -2.21 118.68 114.31 1wfm s LEU 33 Ca 0.43 0.72 0.03 0.00 -1.03 0.00 0.00 54.13 54.28 1wfm s LEU 33 Cb -0.20 -2.72 0.17 0.00 0.03 0.00 0.00 46.19 43.47 1wfm s LEU 33 CO 0.92 -0.15 0.49 -1.61 0.23 0.00 0.00 176.35 176.23 1wfm s GLU 34 N 1.45 0.48 -0.12 1.70 2.02 -1.03 -2.82 118.70 120.37 1wfm s GLU 34 Ca 0.25 0.41 -0.24 0.00 0.02 0.00 0.00 54.97 55.40 1wfm s GLU 34 Cb -0.15 -0.04 -0.03 0.00 0.10 0.00 0.00 34.13 34.01 1wfm s GLU 34 CO 0.10 -0.96 0.76 0.00 0.02 0.00 0.00 175.26 175.18 1wfm s ALA 35 N 2.68 3.42 -0.85 5.21 0.00 -0.74 -0.40 121.76 131.08 1wfm s ALA 35 Ca 0.11 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1wfm s ALA 35 Cb -0.12 -3.09 0.21 0.00 0.00 0.00 0.00 23.12 20.12 1wfm s ALA 35 CO -0.26 -0.37 0.74 0.28 0.00 0.00 0.00 175.76 176.14 1wfm n VAL 36 N 4.26 2.72 -3.72 0.00 0.31 0.43 -2.24 118.33 120.09 1wfm n VAL 36 Ca 0.01 -5.09 -0.11 0.00 -0.01 0.00 0.00 64.34 59.15 1wfm n VAL 36 Cb 0.50 -2.31 -0.00 0.00 -0.91 0.00 0.00 33.84 31.12 1wfm n VAL 36 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1wfm n THR 37 N 2.10 0.00 -3.81 2.52 -2.24 -1.26 -0.86 114.28 110.73 1wfm n THR 37 Ca 0.22 -0.88 -0.10 0.00 -2.27 0.00 0.00 64.05 61.03 1wfm n THR 37 Cb 0.37 -0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.29 1wfm n THR 37 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wfm s SER 38 N -2.26 -0.15 0.57 3.42 1.04 -1.26 -4.56 113.70 110.49 1wfm s SER 38 Ca 0.11 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1wfm s SER 38 Cb -0.01 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1wfm s SER 38 CO 0.07 -0.99 0.00 0.59 0.98 0.00 0.00 173.24 173.89 1wfm n ASN 39 N -0.29 -7.57 -2.30 7.02 4.13 -1.26 -5.03 115.26 109.96 1wfm n ASN 39 Ca -0.09 1.55 -0.04 0.00 1.68 0.00 0.00 54.58 57.68 1wfm n ASN 39 Cb 0.63 -4.64 -0.01 0.00 -1.54 0.00 0.00 39.78 34.21 1wfm n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wfm n HIS 40 N -3.40 -0.01 0.00 3.10 1.44 -1.26 -5.04 115.22 110.05 1wfm n HIS 40 Ca -0.05 -0.28 0.00 0.00 -2.01 0.00 0.00 57.72 55.38 1wfm n HIS 40 Cb 0.55 -0.04 0.00 0.00 0.12 0.00 0.00 29.99 30.62 1wfm n HIS 40 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1wfm n ASP 41 N -1.12 0.00 -0.47 4.39 8.00 -1.26 -5.13 116.55 120.96 1wfm n ASP 41 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1wfm n ASP 41 Cb 0.07 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1wfm n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wfm n GLY 42 N 0.86 2.82 3.30 0.44 0.00 -1.26 -5.09 105.19 106.27 1wfm n GLY 42 Ca 0.00 -0.96 -0.44 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.47 3.11 0.02 -0.02 0.00 -1.26 -4.99 107.32 103.72 1wfm s GLY 43 Ca 0.00 -3.76 -0.04 0.00 0.00 0.00 0.00 44.72 40.92 1wfm s GLY 43 CO 0.00 1.29 0.07 0.00 0.00 0.00 0.00 173.10 174.46 1wfm s ASP 45 N -1.68 7.20 0.09 0.00 1.11 -1.26 -4.49 116.67 117.64 1wfm s ASP 45 Ca -0.12 1.68 0.05 0.00 0.18 0.00 0.00 52.55 54.35 1wfm s ASP 45 Cb -0.06 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 1wfm s ASP 45 CO -0.01 -0.07 -0.03 0.00 1.18 0.00 0.00 175.17 176.24 1wfm s TYR 47 N -1.26 -0.33 0.09 0.00 -0.85 -1.07 -0.31 117.35 113.61 1wfm s TYR 47 Ca 0.24 0.27 -0.16 0.00 -0.52 0.00 0.00 57.07 56.90 1wfm s TYR 47 Cb -0.11 0.29 -0.06 0.00 0.38 0.00 0.00 41.96 42.45 1wfm s TYR 47 CO 0.16 -0.64 0.52 0.08 -1.52 0.00 0.00 175.55 174.15 1wfm s VAL 48 N -2.75 4.87 -0.02 -3.49 1.01 -1.26 -3.01 120.40 115.75 1wfm s VAL 48 Ca -0.04 0.94 0.02 0.00 0.00 0.00 0.00 61.98 62.90 1wfm s VAL 48 Cb -0.00 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1wfm s VAL 48 CO -0.04 0.42 -0.07 -1.58 0.00 0.00 0.00 175.10 173.83 1wfm s GLN 49 N -1.48 0.72 0.05 2.72 0.74 0.45 -1.17 119.66 121.69 1wfm s GLN 49 Ca 0.31 -0.23 0.09 0.00 0.05 0.00 0.00 55.36 55.58 1wfm s GLN 49 Cb -0.17 -0.70 -0.03 0.00 1.10 0.00 0.00 33.01 33.21 1wfm s GLN 49 CO 0.18 0.09 -0.24 0.20 -0.55 0.00 0.00 175.29 174.97 1wfm s GLY 50 N 0.16 1.47 -0.02 2.59 0.00 0.53 0.27 107.32 112.33 1wfm s GLY 50 Ca -0.02 -1.27 0.02 0.00 0.00 0.00 0.00 44.72 43.44 1wfm s GLY 50 CO 0.00 -1.17 -0.05 -1.35 0.00 0.00 0.00 173.10 170.53 1wfm s SER 51 N -1.39 0.76 0.05 1.64 1.04 -0.22 0.46 113.70 116.03 1wfm s SER 51 Ca 0.13 -0.11 0.07 0.00 0.48 0.00 0.00 55.95 56.52 1wfm s SER 51 Cb -0.10 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 1wfm s SER 51 CO 0.03 0.02 -0.19 -0.69 0.98 0.00 0.00 173.24 173.40 1wfm s VAL 52 N 0.27 1.52 -0.17 5.02 1.01 -0.79 0.63 120.40 127.90 1wfm s VAL 52 Ca -0.03 -1.17 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 1wfm s VAL 52 Cb -0.07 -1.34 0.04 0.00 0.00 0.00 0.00 36.38 35.01 1wfm s VAL 52 CO -0.00 0.13 -0.04 0.00 0.00 0.00 0.00 175.10 175.19 1wfm s ALA 53 N -0.84 1.39 0.56 5.51 0.00 -1.05 0.62 121.76 127.95 1wfm s ALA 53 Ca 0.06 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.27 1wfm s ALA 53 Cb -0.09 -1.12 0.04 0.00 0.00 0.00 0.00 23.12 21.96 1wfm s ALA 53 CO 0.02 -0.84 0.36 0.54 0.00 0.00 0.00 175.76 175.84 1wfm s ASN 54 N 1.67 4.54 0.08 0.00 2.20 0.63 -3.13 114.94 120.93 1wfm s ASN 54 Ca 0.00 -1.36 0.21 0.00 -0.94 0.00 0.00 52.86 50.77 1wfm s ASN 54 Cb -0.15 0.59 0.86 0.00 -2.00 0.00 0.00 41.25 40.54 1wfm s ASN 54 CO -0.07 -1.15 1.66 0.54 -2.94 0.00 0.00 177.10 175.14 1wfm n ARG 55 N -1.75 0.07 -0.04 3.55 1.74 -1.26 -2.47 116.66 116.50 1wfm n ARG 55 Ca -0.05 0.23 -0.07 0.00 -0.77 0.00 0.00 57.85 57.18 1wfm n ARG 55 Cb 0.65 -1.61 -0.14 0.00 -1.02 0.00 0.00 32.46 30.34 1wfm n ARG 55 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wfm n THR 56 N -1.74 1.44 0.00 0.55 -2.24 -1.26 -5.07 114.28 105.96 1wfm n THR 56 Ca 0.04 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1wfm n THR 56 Cb 0.25 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 1wfm n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wfm n GLY 57 N 1.59 -0.40 3.66 3.38 0.00 -1.03 -5.17 105.19 107.23 1wfm n GLY 57 Ca -0.21 0.28 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.32 0.32 1.61 1.04 -1.26 -0.27 113.70 110.82 1wfm s SER 58 Ca 0.00 -0.29 0.05 0.00 0.48 0.00 0.00 55.95 56.19 1wfm s SER 58 Cb 0.00 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 1wfm s SER 58 CO 0.00 -0.98 0.22 0.68 0.98 0.00 0.00 173.24 174.14 1wfm s VAL 59 N -3.51 0.12 -0.28 5.02 -7.23 0.20 -4.96 120.40 109.77 1wfm s VAL 59 Ca 0.08 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.04 1wfm s VAL 59 Cb -0.02 -2.48 0.08 0.00 0.56 0.00 0.00 36.38 34.51 1wfm s VAL 59 CO -0.02 0.00 0.72 -1.61 -0.31 0.00 0.00 175.10 173.88 1wfm s GLU 60 N -3.64 0.77 0.17 4.82 2.02 -1.26 -1.88 118.70 119.70 1wfm s GLU 60 Ca 0.38 1.08 -0.04 0.00 0.02 0.00 0.00 54.97 56.41 1wfm s GLU 60 Cb 0.03 0.28 -0.03 0.00 0.10 0.00 0.00 34.13 34.52 1wfm s GLU 60 CO 0.22 -0.12 0.18 0.00 0.02 0.00 0.00 175.26 175.56 1wfm s ALA 61 N 0.95 0.63 0.25 5.21 0.00 0.17 -4.97 121.76 124.00 1wfm s ALA 61 Ca -0.04 -1.34 -0.22 0.00 0.00 0.00 0.00 51.96 50.36 1wfm s ALA 61 Cb -0.05 1.05 0.05 0.00 0.00 0.00 0.00 23.12 24.16 1wfm s ALA 61 CO -0.09 -0.60 0.85 1.14 0.00 0.00 0.00 175.76 177.06 1wfm s GLN 62 N -4.06 1.62 0.52 0.00 -2.07 -1.26 0.20 119.66 114.60 1wfm s GLN 62 Ca 0.27 -0.94 0.07 0.00 -1.82 0.00 0.00 55.36 52.94 1wfm s GLN 62 Cb 0.05 0.52 0.03 0.00 -1.09 0.00 0.00 33.01 32.53 1wfm s GLN 62 CO 0.05 -0.75 0.48 0.95 -1.32 0.00 0.00 175.29 174.70 1wfm s THR 63 N -3.25 2.03 1.12 3.63 -4.23 -0.32 -4.82 115.64 109.79 1wfm s THR 63 Ca 0.13 -1.35 -0.14 0.00 -1.18 0.00 0.00 61.69 59.16 1wfm s THR 63 Cb -0.04 -2.38 0.21 0.00 1.34 0.00 0.00 72.50 71.63 1wfm s THR 63 CO 0.06 0.00 0.75 0.00 -0.54 0.00 0.00 174.62 174.89 1wfm n ALA 64 N -1.80 -2.93 -2.68 3.99 0.00 -1.26 -4.61 120.51 111.21 1wfm n ALA 64 Ca 0.03 -1.09 -0.40 0.00 0.00 0.00 0.00 53.44 51.98 1wfm n ALA 64 Cb 0.63 -1.90 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 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 -5.32 4.21 0.51 0.00 1.02 -1.26 -4.61 118.68 113.22 1wfm s LEU 65 Ca 0.65 0.95 0.03 0.00 0.02 0.00 0.00 54.13 55.78 1wfm s LEU 65 Cb -0.22 -2.94 -0.00 0.00 0.02 0.00 0.00 46.19 43.05 1wfm s LEU 65 CO 0.65 -0.20 0.14 -0.54 0.02 0.00 0.00 176.35 176.41 1wfm s LYS 66 N 1.46 2.20 -0.18 1.70 -0.14 0.58 -4.91 119.74 120.45 1wfm s LYS 66 Ca 0.31 -2.22 -0.08 0.00 -1.36 0.00 0.00 55.97 52.62 1wfm s LYS 66 Cb -0.16 -1.75 -0.04 0.00 -1.68 0.00 0.00 37.83 34.20 1wfm s LYS 66 CO 0.12 -0.40 0.08 0.21 -0.76 0.00 0.00 175.35 174.60 1wfm s LYS 67 N -3.99 4.01 -0.18 1.68 2.20 -1.26 -0.01 119.74 122.18 1wfm s LYS 67 Ca 0.19 -0.31 -0.42 0.00 -0.36 0.00 0.00 55.97 55.06 1wfm s LYS 67 Cb 0.01 -3.26 -0.19 0.00 -1.51 0.00 0.00 37.83 32.88 1wfm s LYS 67 CO 0.11 0.29 1.32 -2.13 -0.36 0.00 0.00 175.35 174.58 1wfm n ARG 68 N 3.50 0.17 -3.91 4.03 3.00 -1.26 -4.88 116.66 117.31 1wfm n ARG 68 Ca -0.16 0.06 -0.09 0.00 -0.00 0.00 0.00 57.85 57.66 1wfm n ARG 68 Cb 0.52 -1.59 -0.07 0.00 0.00 0.00 0.00 32.46 31.32 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 1.29 0.98 0.40 -0.14 -1.52 -1.26 -5.01 119.66 114.40 1wfm s GLN 69 Ca 0.96 -1.06 0.28 0.00 -1.95 0.00 0.00 55.36 53.58 1wfm s GLN 69 Cb -1.31 0.35 1.42 0.00 -0.22 0.00 0.00 33.01 33.26 1wfm s GLN 69 CO 0.65 -0.33 1.84 1.25 -0.25 0.00 0.00 175.29 178.45 1wfm h LEU 70 N 2.66 0.00 -5.45 2.90 7.12 -1.90 -3.33 115.31 117.31 1wfm h LEU 70 Ca -0.33 0.00 -0.09 0.00 0.13 0.00 0.00 57.88 57.59 1wfm h LEU 70 Cb 1.21 0.00 -0.17 0.00 -0.53 0.00 0.00 40.66 41.17 1wfm h LEU 70 CO 0.53 0.00 -0.44 -2.28 -0.13 0.00 0.00 178.44 176.12 1wfm s HIS 71 N -3.65 -1.55 -0.30 1.25 2.46 -1.26 -4.15 115.29 108.09 1wfm s HIS 71 Ca -0.02 -0.15 -0.27 0.00 0.47 0.00 0.00 55.06 55.09 1wfm s HIS 71 Cb 0.08 0.30 0.01 0.00 -0.13 0.00 0.00 32.58 32.84 1wfm s HIS 71 CO 0.29 -1.14 0.98 0.99 -2.47 0.00 0.00 174.74 173.39 1wfm s THR 72 N 1.36 4.63 0.08 0.89 2.01 -0.95 -4.92 115.64 118.74 1wfm s THR 72 Ca 0.23 1.61 0.08 0.00 0.31 0.00 0.00 61.69 63.91 1wfm s THR 72 Cb -0.01 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 1wfm s THR 72 CO -0.07 -0.35 -0.17 0.42 -0.69 0.00 0.00 174.62 173.76 1wfm s THR 73 N 3.35 2.87 0.37 -0.82 -4.23 -1.26 -1.79 115.64 114.12 1wfm s THR 73 Ca 0.41 -1.32 0.02 0.00 -1.18 0.00 0.00 61.69 59.62 1wfm s THR 73 Cb -0.13 -2.26 0.02 0.00 1.34 0.00 0.00 72.50 71.47 1wfm s THR 73 CO 0.13 0.22 0.18 0.79 -0.54 0.00 0.00 174.62 175.40 1wfm n TRP 74 N 1.17 -0.28 -0.05 3.99 8.01 -1.13 -5.04 117.44 124.12 1wfm n TRP 74 Ca -0.16 -1.65 -0.07 0.00 -1.31 0.00 0.00 57.50 54.31 1wfm n TRP 74 Cb 0.52 -0.28 -0.04 0.00 -2.01 0.00 0.00 31.31 29.50 1wfm n TRP 74 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 1wfm n GLU 75 N -1.21 0.22 -3.10 -0.99 2.13 -1.26 -4.82 120.64 111.61 1wfm n GLU 75 Ca -0.06 0.06 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 1wfm n GLU 75 Cb 0.44 -1.07 0.01 0.00 0.27 0.00 0.00 31.44 31.09 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 -2.18 2.89 0.40 5.31 -1.05 -1.26 -4.92 118.70 117.89 1wfm s GLU 76 Ca -0.12 -1.08 0.08 0.00 -0.15 0.00 0.00 54.97 53.69 1wfm s GLU 76 Cb 0.04 -2.73 -0.07 0.00 -0.44 0.00 0.00 34.13 30.92 1wfm s GLU 76 CO 0.19 -0.23 0.01 0.20 0.95 0.00 0.00 175.26 176.39 1wfm s GLY 77 N -4.30 2.42 0.91 -3.83 0.00 -1.26 -4.77 107.32 96.49 1wfm s GLY 77 Ca 0.52 -2.23 -0.12 0.00 0.00 0.00 0.00 44.72 42.88 1wfm s GLY 77 CO 0.33 -2.06 1.12 1.08 0.00 0.00 0.00 173.10 173.58 1wfm s LEU 78 N -3.72 2.01 -0.25 0.66 1.43 -1.09 -4.81 118.68 112.92 1wfm s LEU 78 Ca 0.35 1.08 -0.03 0.00 -1.03 0.00 0.00 54.13 54.50 1wfm s LEU 78 Cb 0.08 -3.42 0.14 0.00 0.03 0.00 0.00 46.19 43.01 1wfm s LEU 78 CO 0.18 -2.60 0.43 -0.69 0.23 0.00 0.00 176.35 173.90 1wfm s VAL 79 N -3.18 -0.69 -0.10 -1.59 1.01 -1.25 -2.51 120.40 112.09 1wfm s VAL 79 Ca 0.64 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.62 1wfm s VAL 79 Cb -0.16 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1wfm s VAL 79 CO 0.54 -0.07 -0.19 -0.76 0.00 0.00 0.00 175.10 174.62 1wfm s LEU 80 N 2.62 2.37 -0.12 3.92 2.01 0.21 -4.75 118.68 124.94 1wfm s LEU 80 Ca 0.12 -0.43 -0.29 0.00 0.01 0.00 0.00 54.13 53.53 1wfm s LEU 80 Cb -0.15 -1.49 -0.02 0.00 0.01 0.00 0.00 46.19 44.54 1wfm s LEU 80 CO -0.16 0.20 1.25 -2.16 1.01 0.00 0.00 176.35 176.48 1wfm s PRO 81 N 0.15 4.27 -0.10 1.29 0.04 -1.26 0.27 135.00 139.66 1wfm s PRO 81 Ca -0.10 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 62.48 1wfm s PRO 81 Cb -0.16 -3.69 0.03 0.00 0.04 0.00 0.00 34.50 30.72 1wfm s PRO 81 CO 0.06 -0.62 0.36 -1.17 0.04 0.00 0.00 177.00 175.67 1wfm s LEU 82 N 3.04 0.63 0.04 -3.56 2.96 -0.37 -4.87 118.68 116.54 1wfm s LEU 82 Ca 0.56 0.55 -0.17 0.00 -0.22 0.00 0.00 54.13 54.85 1wfm s LEU 82 Cb -0.23 1.31 -0.06 0.00 0.50 0.00 0.00 46.19 47.70 1wfm s LEU 82 CO 0.18 -0.24 0.49 0.00 -1.32 0.00 0.00 176.35 175.46 1wfm s ALA 83 N -0.29 3.64 0.66 5.97 0.00 -1.26 -3.78 121.76 126.70 1wfm s ALA 83 Ca -0.04 -0.09 0.31 0.00 0.00 0.00 0.00 51.96 52.13 1wfm s ALA 83 Cb -0.03 -2.51 1.67 0.00 0.00 0.00 0.00 23.12 22.24 1wfm s ALA 83 CO 0.02 0.44 1.94 1.49 0.00 0.00 0.00 175.76 179.65 1wfm h GLU 84 N 4.62 0.00 0.00 0.00 4.81 -1.94 1.58 114.58 123.65 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 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1wfm h GLU 84 CO 0.62 0.00 -0.39 1.05 -0.73 0.00 0.00 179.01 179.56 1wfm h GLU 85 N 0.00 0.00 -0.45 1.92 4.11 -2.02 -3.20 114.58 114.93 1wfm h GLU 85 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1wfm h GLU 85 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1wfm h GLU 85 CO -0.00 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.47 1wfm n GLU 86 N -2.29 2.89 0.06 1.06 1.02 0.53 -4.53 120.64 119.38 1wfm n GLU 86 Ca 0.04 -2.29 -0.13 0.00 -0.02 0.00 0.00 57.16 54.76 1wfm n GLU 86 Cb 0.45 -1.40 -0.08 0.00 -0.02 0.00 0.00 31.44 30.38 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 2.67 -0.10 -0.05 -4.62 3.38 -1.32 0.45 115.31 115.71 1wfm h LEU 87 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1wfm h LEU 87 Cb 0.87 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1wfm h LEU 87 CO 0.02 0.17 0.00 -0.81 0.09 0.00 0.00 178.44 177.91 1wfm n PRO 88 N -5.02 0.03 -0.87 1.13 -0.04 -1.26 -2.69 135.00 126.28 1wfm n PRO 88 Ca -0.08 0.15 -0.02 0.00 -0.04 0.00 0.00 63.50 63.51 1wfm n PRO 88 Cb 0.18 -1.55 0.18 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.61 2.37 -4.09 0.52 -2.24 -0.99 -4.92 114.28 103.32 1wfm n THR 89 Ca 0.05 -3.25 -0.09 0.00 -2.27 0.00 0.00 64.05 58.48 1wfm n THR 89 Cb 0.27 -0.40 -0.09 0.00 -2.10 0.00 0.00 70.33 68.00 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 -3.31 0.61 -0.15 6.98 0.00 0.11 -4.06 121.76 121.95 1wfm s ALA 90 Ca 0.42 -1.29 -0.13 0.00 0.00 0.00 0.00 51.96 50.96 1wfm s ALA 90 Cb 0.39 0.79 0.04 0.00 0.00 0.00 0.00 23.12 24.34 1wfm s ALA 90 CO -0.04 -0.51 0.39 0.99 0.00 0.00 0.00 175.76 176.60 1wfm s THR 91 N -4.01 -0.00 -0.28 0.00 2.01 -1.18 -4.33 115.64 107.84 1wfm s THR 91 Ca 0.20 0.01 -0.09 0.00 0.31 0.00 0.00 61.69 62.12 1wfm s THR 91 Cb 0.07 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 1wfm s THR 91 CO -0.00 0.01 0.14 -0.22 -0.69 0.00 0.00 174.62 173.85 1wfm s LEU 92 N 0.37 3.85 -0.29 4.42 1.98 -1.12 -2.53 118.68 125.36 1wfm s LEU 92 Ca -0.01 -0.25 -0.05 0.00 -2.89 0.00 0.00 54.13 50.93 1wfm s LEU 92 Cb -0.04 -2.01 0.02 0.00 0.66 0.00 0.00 46.19 44.82 1wfm s LEU 92 CO -0.01 -0.09 0.03 -0.89 -1.89 0.00 0.00 176.35 173.50 1wfm s THR 93 N 1.66 3.54 0.30 3.68 2.01 0.21 -0.71 115.64 126.32 1wfm s THR 93 Ca 0.06 -0.89 -0.20 0.00 0.31 0.00 0.00 61.69 60.97 1wfm s THR 93 Cb -0.16 -2.85 -0.09 0.00 0.01 0.00 0.00 72.50 69.41 1wfm s THR 93 CO 0.07 0.07 0.80 -0.76 -0.69 0.00 0.00 174.62 174.11 1wfm s LEU 94 N 1.42 4.21 -0.12 4.42 1.43 0.28 -1.06 118.68 129.26 1wfm s LEU 94 Ca 0.01 1.49 -0.09 0.00 -1.03 0.00 0.00 54.13 54.51 1wfm s LEU 94 Cb -0.17 -3.93 0.04 0.00 0.03 0.00 0.00 46.19 42.16 1wfm s LEU 94 CO 0.00 -0.10 0.31 -0.89 0.23 0.00 0.00 176.35 175.89 1wfm s THR 95 N -1.75 -0.02 -0.53 5.49 2.01 0.14 0.20 115.64 121.17 1wfm s THR 95 Ca 0.50 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.45 1wfm s THR 95 Cb -0.14 -0.45 0.13 0.00 0.01 0.00 0.00 72.50 72.06 1wfm s THR 95 CO 0.19 0.03 0.44 -0.22 -0.69 0.00 0.00 174.62 174.37 1wfm s LEU 96 N 0.74 5.92 0.25 4.42 2.96 0.25 -0.41 118.68 132.80 1wfm s LEU 96 Ca -0.05 -2.01 0.05 0.00 -0.22 0.00 0.00 54.13 51.90 1wfm s LEU 96 Cb -0.06 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 1wfm s LEU 96 CO -0.05 -0.71 0.34 -0.13 -1.32 0.00 0.00 176.35 174.48 1wfm s ARG 97 N 1.23 3.34 0.22 1.98 3.00 -1.16 0.15 118.95 127.71 1wfm s ARG 97 Ca 0.07 -0.82 0.09 0.00 0.00 0.00 0.00 55.73 55.07 1wfm s ARG 97 Cb -0.25 -2.83 -0.04 0.00 0.00 0.00 0.00 34.95 31.82 1wfm s ARG 97 CO -0.01 0.41 -0.04 0.95 0.00 0.00 0.00 175.30 176.61 1wfm s THR 98 N -2.01 3.36 0.00 0.02 -4.23 -1.26 -2.61 115.64 108.91 1wfm s THR 98 Ca 0.34 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1wfm s THR 98 Cb -0.09 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1wfm s THR 98 CO 0.28 -0.24 0.00 0.00 -0.54 0.00 0.00 174.62 174.13 1wfm n ASP 100 N 0.00 -4.57 0.10 0.00 -0.08 -1.26 -2.50 116.55 108.24 1wfm n ASP 100 Ca 0.00 0.37 -0.09 0.00 -1.51 0.00 0.00 54.79 53.56 1wfm n ASP 100 Cb 0.00 -2.36 -0.05 0.00 2.34 0.00 0.00 41.12 41.04 1wfm n ASP 100 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1wfm h ARG 101 N -0.72 -0.44 -0.81 -0.67 2.43 -2.00 -3.36 114.38 108.81 1wfm h ARG 101 Ca -0.00 0.03 -0.32 0.00 -0.81 0.00 0.00 59.98 58.87 1wfm h ARG 101 Cb 0.71 0.10 -0.40 0.00 -0.42 0.00 0.00 29.97 29.96 1wfm h ARG 101 CO 0.01 -0.29 -1.16 1.19 -1.51 0.00 0.00 179.97 178.21 1wfm n PHE 102 N -4.01 1.24 -4.13 2.20 3.72 -1.26 -4.99 117.46 110.22 1wfm n PHE 102 Ca -0.05 -2.56 -0.44 0.00 -0.05 0.00 0.00 57.45 54.34 1wfm n PHE 102 Cb 0.23 -0.32 -0.00 0.00 -0.94 0.00 0.00 39.48 38.44 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 -0.26 -3.04 -4.75 4.37 2.88 -1.04 -4.86 113.62 106.91 1wfm n SER 103 Ca 0.09 -1.29 -0.32 0.00 -1.33 0.00 0.00 58.87 56.02 1wfm n SER 103 Cb 0.81 -1.56 0.09 0.00 -0.75 0.00 0.00 64.21 62.80 1wfm n SER 103 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1wfm s ARG 104 N -7.46 2.18 0.22 -1.46 3.00 -1.26 -4.83 118.95 109.35 1wfm s ARG 104 Ca 0.40 1.33 0.00 0.00 0.00 0.00 0.00 55.73 57.46 1wfm s ARG 104 Cb -0.22 -1.88 0.00 0.00 0.00 0.00 0.00 34.95 32.85 1wfm s ARG 104 CO 0.97 -1.72 0.00 0.72 0.00 0.00 0.00 175.30 175.27 1wfm n HIS 105 N -3.30 -1.85 -0.16 -0.53 8.25 -1.26 -4.90 115.22 111.47 1wfm n HIS 105 Ca 0.10 0.96 -0.21 0.00 -0.26 0.00 0.00 57.72 58.31 1wfm n HIS 105 Cb 0.52 -1.68 0.21 0.00 1.12 0.00 0.00 29.99 30.16 1wfm n HIS 105 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1wfm n SER 106 N -3.21 -3.55 -4.88 0.41 3.41 -1.26 -4.99 113.62 99.56 1wfm n SER 106 Ca -0.01 -0.61 -0.31 0.00 -0.26 0.00 0.00 58.87 57.68 1wfm n SER 106 Cb 0.33 -0.70 0.01 0.00 -0.26 0.00 0.00 64.21 63.60 1wfm n SER 106 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1wfm s VAL 107 N -1.77 4.57 -0.42 -3.33 -7.23 -1.26 -4.69 120.40 106.27 1wfm s VAL 107 Ca 0.47 0.76 0.23 0.00 -1.81 0.00 0.00 61.98 61.63 1wfm s VAL 107 Cb -0.08 -3.82 0.24 0.00 0.56 0.00 0.00 36.38 33.28 1wfm s VAL 107 CO 0.39 -1.05 1.70 0.00 -0.31 0.00 0.00 175.10 175.83 1wfm n ALA 108 N -2.74 1.53 0.00 1.32 0.00 0.40 -4.73 120.51 116.29 1wfm n ALA 108 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1wfm n ALA 108 Cb 0.55 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1wfm n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wfm n GLY 109 N -0.28 3.09 3.41 0.00 0.00 -1.14 -4.85 105.19 105.42 1wfm n GLY 109 Ca 0.01 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 1wfm n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wfm s GLU 110 N -1.35 1.47 0.01 1.61 2.12 -1.26 0.86 118.70 122.15 1wfm s GLU 110 Ca 0.00 -1.46 -0.00 0.00 0.36 0.00 0.00 54.97 53.87 1wfm s GLU 110 Cb 0.00 -1.85 -0.01 0.00 0.26 0.00 0.00 34.13 32.53 1wfm s GLU 110 CO 0.00 0.42 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.96 1wfm s LEU 111 N -2.44 2.07 -0.04 2.70 0.20 0.52 0.17 118.68 121.87 1wfm s LEU 111 Ca 0.18 -0.18 0.02 0.00 0.69 0.00 0.00 54.13 54.84 1wfm s LEU 111 Cb -0.09 0.05 -0.03 0.00 -0.43 0.00 0.00 46.19 45.69 1wfm s LEU 111 CO 0.08 -0.11 -0.08 -0.60 -0.29 0.00 0.00 176.35 175.35 1wfm s ARG 112 N -0.54 2.63 0.28 1.98 6.06 -1.26 1.00 118.95 129.10 1wfm s ARG 112 Ca -0.06 -0.64 -0.07 0.00 -2.50 0.00 0.00 55.73 52.47 1wfm s ARG 112 Cb -0.04 -2.52 -0.01 0.00 0.06 0.00 0.00 34.95 32.45 1wfm s ARG 112 CO -0.00 0.64 0.42 -0.51 -2.50 0.00 0.00 175.30 173.35 1wfm s LEU 113 N -1.00 0.74 0.16 -0.88 1.43 0.11 -4.94 118.68 114.31 1wfm s LEU 113 Ca 0.14 -1.24 0.05 0.00 -1.03 0.00 0.00 54.13 52.05 1wfm s LEU 113 Cb -0.11 1.43 -0.05 0.00 0.03 0.00 0.00 46.19 47.49 1wfm s LEU 113 CO 0.03 -1.16 -0.11 -0.83 0.23 0.00 0.00 176.35 174.51 1wfm s GLY 114 N -3.13 1.18 -0.06 -3.19 0.00 -1.26 -2.78 107.32 98.07 1wfm s GLY 114 Ca 0.28 -1.55 0.08 0.00 0.00 0.00 0.00 44.72 43.54 1wfm s GLY 114 CO 0.14 -1.64 0.09 1.04 0.00 0.00 0.00 173.10 172.74 1wfm n LEU 115 N -0.25 0.00 -0.29 0.66 7.99 -1.26 -4.50 117.00 119.35 1wfm n LEU 115 Ca -0.09 0.00 0.26 0.00 -0.01 0.00 0.00 56.01 56.16 1wfm n LEU 115 Cb 0.61 0.14 0.60 0.00 -0.11 0.00 0.00 43.42 44.65 1wfm n LEU 115 CO 0.33 0.14 1.25 -0.78 -1.51 0.00 0.00 177.39 176.82 1wfm h ASP 116 N 0.00 0.27 0.00 -1.43 1.82 -1.83 -3.45 116.42 111.81 1wfm h ASP 116 Ca -0.15 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 1wfm h ASP 116 Cb 1.14 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.15 1wfm h ASP 116 CO 0.01 0.07 0.00 0.61 -1.61 0.00 0.00 179.24 178.31 1wfm n GLY 117 N -1.58 1.77 0.00 -0.78 0.00 -1.26 -4.94 105.19 98.40 1wfm n GLY 117 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.82 0.00 -0.34 2.61 -1.04 -1.26 -4.54 114.28 108.89 1wfm n THR 118 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1wfm n THR 118 Cb 0.00 -0.67 0.03 0.00 -1.82 0.00 0.00 70.33 67.87 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 -0.57 -0.58 -3.88 8.00 7.64 -1.26 -4.33 113.62 118.65 1wfm n SER 119 Ca 0.00 1.53 -0.16 0.00 1.01 0.00 0.00 58.87 61.26 1wfm n SER 119 Cb 0.00 -0.35 -0.15 0.00 -1.01 0.00 0.00 64.21 62.70 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 -5.82 0.22 0.94 0.44 0.11 -1.26 -4.97 120.40 110.05 1wfm s VAL 120 Ca -0.12 -0.04 -0.13 0.00 -2.93 0.00 0.00 61.98 58.76 1wfm s VAL 120 Cb 0.18 -0.25 0.16 0.00 -1.53 0.00 0.00 36.38 34.94 1wfm s VAL 120 CO 0.63 0.10 1.15 -2.16 -3.33 0.00 0.00 175.10 171.49 1wfm s PRO 121 N 0.41 0.90 0.31 1.54 0.04 -1.26 -4.27 135.00 132.67 1wfm s PRO 121 Ca -0.04 0.20 -0.00 0.00 0.04 0.00 0.00 61.00 61.20 1wfm s PRO 121 Cb -0.07 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1wfm s PRO 121 CO -0.01 -2.35 0.52 -0.51 0.04 0.00 0.00 177.00 174.69 1wfm s LEU 122 N -6.10 4.06 -1.35 -3.56 1.43 -1.26 -4.10 118.68 107.80 1wfm s LEU 122 Ca 0.65 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 1wfm s LEU 122 Cb -0.13 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1wfm s LEU 122 CO 0.54 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.49 1wfm n GLY 123 N -1.48 1.21 2.89 -3.19 0.00 0.50 -4.89 105.19 100.23 1wfm n GLY 123 Ca -0.04 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 -2.04 2.21 0.41 4.61 0.00 -1.25 -5.01 121.76 120.69 1wfm s ALA 124 Ca 0.00 -2.04 -0.26 0.00 0.00 0.00 0.00 51.96 49.67 1wfm s ALA 124 Cb 0.00 -1.76 -0.08 0.00 0.00 0.00 0.00 23.12 21.27 1wfm s ALA 124 CO 0.00 -1.63 1.31 0.00 0.00 0.00 0.00 175.76 175.44 1wfm s ALA 125 N 1.26 3.23 0.04 0.00 0.00 -1.26 -4.49 121.76 120.54 1wfm s ALA 125 Ca 0.09 1.24 0.01 0.00 0.00 0.00 0.00 51.96 53.29 1wfm s ALA 125 Cb -0.18 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 1wfm s ALA 125 CO -0.15 -0.86 -0.05 -0.65 0.00 0.00 0.00 175.76 174.06 1wfm s GLN 126 N -2.29 0.49 -0.99 0.00 -1.52 -1.12 -5.02 119.66 109.21 1wfm s GLN 126 Ca 0.58 -0.86 -0.04 0.00 -1.95 0.00 0.00 55.36 53.09 1wfm s GLN 126 Cb -0.38 -0.00 0.26 0.00 -0.22 0.00 0.00 33.01 32.67 1wfm s GLN 126 CO 0.49 -0.04 1.04 0.91 -0.25 0.00 0.00 175.29 177.44 1wfm n TRP 127 N 1.06 4.12 -3.16 0.91 7.02 -1.26 -2.86 117.44 123.26 1wfm n TRP 127 Ca -0.20 -3.75 -0.36 0.00 -1.02 0.00 0.00 57.50 52.17 1wfm n TRP 127 Cb 0.57 -1.30 -0.06 0.00 -2.42 0.00 0.00 31.31 28.10 1wfm n TRP 127 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1wfm s GLY 128 N -0.23 2.60 0.44 6.99 0.00 -1.19 -4.87 107.32 111.07 1wfm s GLY 128 Ca 0.31 0.10 -0.09 0.00 0.00 0.00 0.00 44.72 45.04 1wfm s GLY 128 CO -0.05 0.45 0.79 -0.54 0.00 0.00 0.00 173.10 173.74 1wfm s GLU 129 N -1.88 3.69 0.17 2.90 8.01 -1.26 -0.51 118.70 129.81 1wfm s GLU 129 Ca 0.41 0.39 -0.29 0.00 0.01 0.00 0.00 54.97 55.49 1wfm s GLU 129 Cb -0.17 -2.37 -0.08 0.00 -4.31 0.00 0.00 34.13 27.20 1wfm s GLU 129 CO 0.21 -0.12 0.90 -0.51 0.01 0.00 0.00 175.26 175.74 1wfm s LEU 130 N -4.22 4.58 -1.04 1.80 1.43 0.14 -4.81 118.68 116.55 1wfm s LEU 130 Ca 0.50 1.80 -0.01 0.00 -1.03 0.00 0.00 54.13 55.38 1wfm s LEU 130 Cb -0.10 -3.50 0.32 0.00 0.03 0.00 0.00 46.19 42.93 1wfm s LEU 130 CO 0.37 0.09 1.81 0.29 0.23 0.00 0.00 176.35 179.15 1wfm n LYS 131 N 2.01 5.38 -1.50 1.70 4.76 0.45 -4.76 118.16 126.20 1wfm n LYS 131 Ca -0.02 -4.65 -0.38 0.00 -2.87 0.00 0.00 58.31 50.40 1wfm n LYS 131 Cb 0.48 -2.48 0.04 0.00 -1.84 0.00 0.00 35.03 31.24 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 0.06 2.68 -2.96 -0.18 -2.24 -1.26 -4.18 114.28 106.19 1wfm n THR 132 Ca 0.46 -0.49 0.01 0.00 -2.27 0.00 0.00 64.05 61.75 1wfm n THR 132 Cb 0.26 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 1wfm n THR 132 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wfm s SER 133 N -1.22 -0.88 0.15 3.42 0.15 -1.26 -4.64 113.70 109.42 1wfm s SER 133 Ca 0.71 -0.49 -0.24 0.00 0.70 0.00 0.00 55.95 56.64 1wfm s SER 133 Cb -0.43 1.13 0.08 0.00 -1.71 0.00 0.00 66.02 65.09 1wfm s SER 133 CO 0.52 -0.09 1.05 -0.83 1.20 0.00 0.00 173.24 175.09 1wfm s GLY 134 N 1.85 -0.01 -0.03 9.45 0.00 -1.26 -4.97 107.32 112.35 1wfm s GLY 134 Ca 0.16 -0.15 -0.23 0.00 0.00 0.00 0.00 44.72 44.50 1wfm s GLY 134 CO -0.11 1.95 1.08 -0.56 0.00 0.00 0.00 173.10 175.46 1wfm h PRO 135 N 2.00 0.22 -5.14 2.90 0.13 -2.00 -3.47 132.00 126.64 1wfm h PRO 135 Ca -0.27 -0.22 -0.55 0.00 -0.87 0.00 0.00 66.00 64.10 1wfm h PRO 135 Cb 1.22 0.06 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 1wfm h PRO 135 CO 0.33 0.92 -0.55 -1.54 -0.23 0.00 0.00 178.00 176.93 1wfm s SER 136 N -6.34 2.88 0.03 1.44 1.04 -1.26 -5.17 113.70 106.33 1wfm s SER 136 Ca -0.15 -1.57 0.02 0.00 0.48 0.00 0.00 55.95 54.72 1wfm s SER 136 Cb 0.02 0.30 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 1wfm s SER 136 CO 0.75 -0.81 -0.06 -0.55 0.98 0.00 0.00 173.24 173.55 1wfm s SER 137 N -3.61 0.67 0.00 7.02 0.15 -1.26 -4.66 113.70 112.01 1wfm s SER 137 Ca 0.25 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1wfm s SER 137 Cb 0.04 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1wfm s SER 137 CO 0.13 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.99