#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 5.09 0.25 1.61 0.15 -1.26 -5.03 113.70 114.50 1wfm s SER 2 Ca 0.00 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1wfm s SER 2 Cb 0.00 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.54 1wfm s SER 2 CO 0.00 -1.30 0.00 -1.20 1.20 0.00 0.00 173.24 171.94 1wfm n SER 3 N -2.48 -0.93 -4.74 5.45 7.64 -1.26 -5.13 113.62 112.18 1wfm n SER 3 Ca 0.09 0.44 -0.29 0.00 1.01 0.00 0.00 58.87 60.12 1wfm n SER 3 Cb 0.60 1.03 0.15 0.00 -1.01 0.00 0.00 64.21 64.97 1wfm n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfm s GLY 4 N -4.21 1.58 0.14 0.23 0.00 -1.26 -5.09 107.32 98.71 1wfm s GLY 4 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 44.72 44.17 1wfm s GLY 4 CO 0.00 0.16 0.36 -0.45 0.00 0.00 0.00 173.10 173.17 1wfm s SER 5 N -3.75 -0.12 -0.17 1.64 0.15 -1.26 -5.18 113.70 105.01 1wfm s SER 5 Ca 0.64 -0.52 -0.35 0.00 0.70 0.00 0.00 55.95 56.42 1wfm s SER 5 Cb -0.16 0.46 0.14 0.00 -1.71 0.00 0.00 66.02 64.74 1wfm s SER 5 CO 0.55 -0.88 1.22 -0.94 1.20 0.00 0.00 173.24 174.39 1wfm s SER 6 N -2.86 -0.13 0.00 5.45 1.04 -1.26 -5.06 113.70 110.88 1wfm s SER 6 Ca 0.07 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1wfm s SER 6 Cb 0.02 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1wfm s SER 6 CO -0.08 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1wfm n GLY 7 N -0.13 1.05 1.58 7.32 0.00 -1.26 -4.97 105.19 108.78 1wfm n GLY 7 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1wfm n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfm n SER 8 N 0.00 -7.45 -3.61 1.61 7.64 -1.26 -5.01 113.62 105.55 1wfm n SER 8 Ca 0.00 1.04 -0.03 0.00 1.01 0.00 0.00 58.87 60.89 1wfm n SER 8 Cb 0.00 -3.90 -0.02 0.00 -1.01 0.00 0.00 64.21 59.28 1wfm n SER 8 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 1wfm s TRP 9 N -0.94 -0.10 -0.04 1.43 -2.14 -1.26 -5.10 118.94 110.80 1wfm s TRP 9 Ca 0.00 0.05 -0.06 0.00 2.66 0.00 0.00 56.10 58.74 1wfm s TRP 9 Cb 0.00 0.52 -0.02 0.00 -3.10 0.00 0.00 33.47 30.87 1wfm s TRP 9 CO 0.00 -0.18 -0.12 -1.71 -2.66 0.00 0.00 176.95 172.27 1wfm n ASN 10 N -0.15 0.97 -4.83 -2.66 2.85 -1.26 -5.06 115.26 105.11 1wfm n ASN 10 Ca -0.00 0.15 -0.22 0.00 -0.11 0.00 0.00 54.58 54.40 1wfm n ASN 10 Cb 0.59 -0.46 0.08 0.00 1.24 0.00 0.00 39.78 41.22 1wfm n ASN 10 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1wfm s GLN 11 N -1.93 2.03 0.04 1.20 -0.21 -1.26 -5.13 119.66 114.39 1wfm s GLN 11 Ca -0.10 -1.23 -0.00 0.00 0.02 0.00 0.00 55.36 54.05 1wfm s GLN 11 Cb 0.01 -2.46 -0.03 0.00 1.00 0.00 0.00 33.01 31.53 1wfm s GLN 11 CO 0.15 -1.12 -0.03 0.00 -2.12 0.00 0.00 175.29 172.16 1wfm s ALA 12 N -2.92 0.33 0.00 6.09 0.00 -1.26 -5.13 121.76 118.88 1wfm s ALA 12 Ca 0.63 -0.87 -0.30 0.00 0.00 0.00 0.00 51.96 51.43 1wfm s ALA 12 Cb -0.06 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1wfm s ALA 12 CO 0.41 -0.23 1.19 -1.25 0.00 0.00 0.00 175.76 175.88 1wfm s PRO 13 N -2.48 4.40 0.09 0.00 0.04 -1.26 -4.75 135.00 131.03 1wfm s PRO 13 Ca -0.06 1.71 0.07 0.00 0.04 0.00 0.00 61.00 62.76 1wfm s PRO 13 Cb -0.03 -3.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 1wfm s PRO 13 CO -0.04 -0.34 -0.12 0.15 0.04 0.00 0.00 177.00 176.69 1wfm s LYS 14 N 1.61 2.10 -0.22 4.56 1.02 0.26 -0.07 119.74 128.99 1wfm s LYS 14 Ca 0.57 -1.02 -0.04 0.00 0.02 0.00 0.00 55.97 55.51 1wfm s LYS 14 Cb -0.27 -2.27 0.07 0.00 -0.52 0.00 0.00 37.83 34.84 1wfm s LYS 14 CO 0.26 0.52 0.09 -1.17 -0.92 0.00 0.00 175.35 174.13 1wfm s LEU 15 N -2.00 0.65 0.26 3.17 2.96 -0.36 0.21 118.68 123.57 1wfm s LEU 15 Ca 0.19 -0.91 -0.30 0.00 -0.22 0.00 0.00 54.13 52.90 1wfm s LEU 15 Cb -0.11 -0.37 -0.09 0.00 0.50 0.00 0.00 46.19 46.12 1wfm s LEU 15 CO 0.11 -0.37 1.03 -2.28 -1.32 0.00 0.00 176.35 173.52 1wfm s HIS 16 N 2.05 3.75 -0.21 5.38 5.65 -0.58 -3.31 115.29 128.02 1wfm s HIS 16 Ca 0.04 1.79 -0.26 0.00 0.25 0.00 0.00 55.06 56.88 1wfm s HIS 16 Cb -0.16 -3.16 0.07 0.00 -1.18 0.00 0.00 32.58 28.15 1wfm s HIS 16 CO -0.18 -0.13 0.69 1.52 -0.65 0.00 0.00 174.74 175.99 1wfm s TYR 17 N -1.16 -0.73 -0.35 3.88 -0.85 -1.05 -2.65 117.35 114.43 1wfm s TYR 17 Ca 0.43 1.66 0.03 0.00 -0.52 0.00 0.00 57.07 58.68 1wfm s TYR 17 Cb -0.29 0.30 0.10 0.00 0.38 0.00 0.00 41.96 42.44 1wfm s TYR 17 CO 0.37 -0.43 0.07 0.00 -1.52 0.00 0.00 175.55 174.05 1wfm s LEU 19 N 0.87 4.52 -0.29 0.00 1.43 -1.26 -1.86 118.68 122.10 1wfm s LEU 19 Ca 0.11 2.23 -0.03 0.00 -1.03 0.00 0.00 54.13 55.42 1wfm s LEU 19 Cb -0.19 -3.62 0.17 0.00 0.03 0.00 0.00 46.19 42.58 1wfm s LEU 19 CO -0.09 -0.21 0.59 -0.62 0.23 0.00 0.00 176.35 176.25 1wfm s ASP 20 N -0.52 -1.22 -0.24 2.29 -1.08 -0.40 0.20 116.67 115.69 1wfm s ASP 20 Ca 0.47 0.96 -0.13 0.00 -0.52 0.00 0.00 52.55 53.34 1wfm s ASP 20 Cb -0.32 2.11 -0.04 0.00 -1.46 0.00 0.00 42.92 43.21 1wfm s ASP 20 CO 0.39 -0.25 0.26 -0.47 0.52 0.00 0.00 175.17 175.62 1wfm s TYR 21 N 2.84 3.30 -0.94 -5.34 5.04 -1.26 -1.16 117.35 119.84 1wfm s TYR 21 Ca 0.15 0.34 -0.12 0.00 -2.44 0.00 0.00 57.07 55.00 1wfm s TYR 21 Cb -0.14 -2.41 0.24 0.00 0.35 0.00 0.00 41.96 40.00 1wfm s TYR 21 CO -0.20 -0.05 0.90 0.34 -1.34 0.00 0.00 175.55 175.20 1wfm s ASP 22 N 1.28 6.97 0.42 4.32 -1.08 -1.06 -4.87 116.67 122.66 1wfm s ASP 22 Ca 0.12 -3.02 0.27 0.00 -0.52 0.00 0.00 52.55 49.39 1wfm s ASP 22 Cb -0.15 -2.21 1.35 0.00 -1.46 0.00 0.00 42.92 40.45 1wfm s ASP 22 CO 0.07 -0.47 1.65 0.00 0.52 0.00 0.00 175.17 176.94 1wfm h GLN 24 N 0.15 0.51 -0.23 0.00 1.08 -1.96 -1.19 115.11 113.46 1wfm h GLN 24 Ca 0.78 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.95 1wfm h GLN 24 Cb 2.33 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 29.64 1wfm h GLN 24 CO -0.42 0.34 0.00 1.63 -0.95 0.00 0.00 178.83 179.43 1wfm n LYS 25 N -4.86 2.29 -2.84 1.46 5.02 0.54 -4.92 118.16 114.84 1wfm n LYS 25 Ca 0.04 -1.92 -0.08 0.00 -2.02 0.00 0.00 58.31 54.33 1wfm n LYS 25 Cb 0.12 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 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 1.19 -1.01 -3.51 7.82 0.00 0.70 -4.85 120.51 120.84 1wfm n ALA 26 Ca 0.17 -0.04 -0.26 0.00 0.00 0.00 0.00 53.44 53.32 1wfm n ALA 26 Cb 0.55 -0.87 -0.17 0.00 0.00 0.00 0.00 19.45 18.96 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 -5.30 1.82 0.83 0.00 0.41 -1.19 -1.46 118.70 113.81 1wfm s GLU 27 Ca 0.16 -0.44 -0.12 0.00 -0.41 0.00 0.00 54.97 54.16 1wfm s GLU 27 Cb -0.09 -1.53 0.09 0.00 -1.78 0.00 0.00 34.13 30.82 1wfm s GLU 27 CO 0.20 -0.00 1.10 -1.17 -0.49 0.00 0.00 175.26 174.89 1wfm s LEU 28 N 0.78 2.47 -0.08 1.80 2.96 0.32 -2.58 118.68 124.35 1wfm s LEU 28 Ca -0.12 1.34 -0.07 0.00 -0.22 0.00 0.00 54.13 55.06 1wfm s LEU 28 Cb -0.16 -3.88 0.02 0.00 0.50 0.00 0.00 46.19 42.67 1wfm s LEU 28 CO 0.02 -2.19 0.21 -0.36 -1.32 0.00 0.00 176.35 172.72 1wfm s PHE 29 N -3.10 -0.24 -0.57 5.38 0.40 -0.31 -2.32 117.98 117.23 1wfm s PHE 29 Ca 0.62 0.58 0.06 0.00 -0.60 0.00 0.00 56.93 57.58 1wfm s PHE 29 Cb -0.15 0.08 0.22 0.00 0.51 0.00 0.00 43.02 43.67 1wfm s PHE 29 CO 0.55 -0.12 0.57 0.28 0.70 0.00 0.00 175.22 177.21 1wfm n VAL 30 N 3.02 0.98 -2.41 -0.44 0.31 0.38 -1.27 118.33 118.89 1wfm n VAL 30 Ca -0.13 -4.60 -0.26 0.00 -0.01 0.00 0.00 64.34 59.34 1wfm n VAL 30 Cb 0.58 -2.02 0.15 0.00 -0.91 0.00 0.00 33.84 31.64 1wfm n VAL 30 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1wfm s THR 31 N -1.56 2.00 -1.05 2.52 -4.23 -0.78 -1.57 115.64 110.98 1wfm s THR 31 Ca 0.34 -0.43 -0.02 0.00 -1.18 0.00 0.00 61.69 60.40 1wfm s THR 31 Cb 0.09 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.33 1wfm s THR 31 CO -0.10 0.00 0.89 0.54 -0.54 0.00 0.00 174.62 175.41 1wfm n ARG 32 N -3.20 -4.84 -2.96 3.99 5.12 -1.26 0.20 116.66 113.71 1wfm n ARG 32 Ca 0.17 0.78 -0.42 0.00 -1.93 0.00 0.00 57.85 56.46 1wfm n ARG 32 Cb 0.60 -5.54 -0.05 0.00 -1.16 0.00 0.00 32.46 26.31 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 -5.74 4.08 -0.36 0.55 1.43 -1.25 -2.54 118.68 114.85 1wfm s LEU 33 Ca 0.13 0.81 0.02 0.00 -1.03 0.00 0.00 54.13 54.06 1wfm s LEU 33 Cb -0.02 -3.07 0.15 0.00 0.03 0.00 0.00 46.19 43.28 1wfm s LEU 33 CO 0.67 -0.53 0.34 -1.61 0.23 0.00 0.00 176.35 175.45 1wfm s GLU 34 N 2.83 0.60 0.13 1.70 2.02 -1.09 -2.70 118.70 122.19 1wfm s GLU 34 Ca 0.32 -0.89 -0.31 0.00 0.02 0.00 0.00 54.97 54.10 1wfm s GLU 34 Cb -0.15 -0.82 -0.08 0.00 0.10 0.00 0.00 34.13 33.18 1wfm s GLU 34 CO 0.10 -1.19 1.43 0.00 0.02 0.00 0.00 175.26 175.62 1wfm s ALA 35 N 1.43 3.63 -0.69 5.21 0.00 -0.91 -1.53 121.76 128.90 1wfm s ALA 35 Ca 0.17 1.18 0.05 0.00 0.00 0.00 0.00 51.96 53.35 1wfm s ALA 35 Cb -0.16 -3.56 0.17 0.00 0.00 0.00 0.00 23.12 19.57 1wfm s ALA 35 CO -0.05 -0.65 0.49 0.08 0.00 0.00 0.00 175.76 175.63 1wfm s VAL 36 N 1.10 2.74 -0.04 0.00 1.01 0.56 -2.77 120.40 122.99 1wfm s VAL 36 Ca 0.66 -4.19 -0.06 0.00 0.00 0.00 0.00 61.98 58.39 1wfm s VAL 36 Cb -0.38 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1wfm s VAL 36 CO 0.31 -1.02 -0.12 0.35 0.00 0.00 0.00 175.10 174.62 1wfm n THR 37 N 2.02 0.74 -1.51 3.92 -2.24 -1.26 0.89 114.28 116.84 1wfm n THR 37 Ca 0.20 0.28 -0.00 0.00 -2.27 0.00 0.00 64.05 62.26 1wfm n THR 37 Cb 0.36 -1.72 -0.00 0.00 -2.10 0.00 0.00 70.33 66.87 1wfm n THR 37 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wfm n SER 38 N -3.35 -2.02 -3.63 3.42 7.64 -1.24 -4.79 113.62 109.64 1wfm n SER 38 Ca -0.05 0.01 -0.03 0.00 1.01 0.00 0.00 58.87 59.82 1wfm n SER 38 Cb 0.18 -1.03 -0.03 0.00 -1.01 0.00 0.00 64.21 62.32 1wfm n SER 38 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1wfm s ASN 39 N -0.01 -0.05 -0.38 6.43 3.84 -1.26 -5.03 114.94 118.48 1wfm s ASN 39 Ca -0.00 0.02 0.11 0.00 0.21 0.00 0.00 52.86 53.20 1wfm s ASN 39 Cb 0.00 0.05 0.35 0.00 -0.55 0.00 0.00 41.25 41.10 1wfm s ASN 39 CO 0.01 -0.07 0.78 1.57 -2.79 0.00 0.00 177.10 176.60 1wfm n HIS 40 N 0.15 -0.16 -0.05 0.43 -0.00 -1.26 -4.69 115.22 109.65 1wfm n HIS 40 Ca 0.03 -3.60 -0.11 0.00 -0.00 0.00 0.00 57.72 54.03 1wfm n HIS 40 Cb 0.57 -0.18 -0.04 0.00 -0.00 0.00 0.00 29.99 30.35 1wfm n HIS 40 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1wfm n ASP 41 N 0.28 1.03 0.22 0.26 -0.08 -1.26 -4.76 116.55 112.24 1wfm n ASP 41 Ca 0.22 0.17 -0.17 0.00 -1.51 0.00 0.00 54.79 53.51 1wfm n ASP 41 Cb 0.67 -0.41 -0.09 0.00 2.34 0.00 0.00 41.12 43.63 1wfm n ASP 41 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1wfm h GLY 42 N -0.45 -1.22 0.00 0.27 0.00 -2.02 -3.46 103.07 96.19 1wfm h GLY 42 Ca -0.24 0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1wfm h GLY 42 CO -0.15 -0.34 0.00 0.61 0.00 0.00 0.00 176.54 176.66 1wfm n GLY 43 N -1.51 2.43 3.18 4.60 0.00 -1.26 -5.00 105.19 107.63 1wfm n GLY 43 Ca -0.10 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 1wfm n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfm s ASP 45 N -1.77 7.49 -0.06 0.00 1.01 -1.26 -4.55 116.67 117.53 1wfm s ASP 45 Ca 0.49 1.79 0.00 0.00 0.71 0.00 0.00 52.55 55.54 1wfm s ASP 45 Cb -0.07 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 1wfm s ASP 45 CO 0.59 0.16 -0.03 0.00 0.21 0.00 0.00 175.17 176.10 1wfm s TYR 47 N -0.91 0.13 0.12 0.00 1.13 -1.15 -2.03 117.35 114.64 1wfm s TYR 47 Ca 0.15 -0.36 -0.13 0.00 -1.41 0.00 0.00 57.07 55.32 1wfm s TYR 47 Cb -0.11 -0.10 -0.06 0.00 -1.10 0.00 0.00 41.96 40.58 1wfm s TYR 47 CO 0.04 -0.34 0.50 0.08 -2.51 0.00 0.00 175.55 173.32 1wfm s VAL 48 N -2.15 4.93 -0.05 -3.49 1.01 -1.26 -3.05 120.40 116.34 1wfm s VAL 48 Ca -0.09 0.73 0.01 0.00 0.00 0.00 0.00 61.98 62.63 1wfm s VAL 48 Cb -0.04 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.65 1wfm s VAL 48 CO -0.02 0.28 -0.04 -1.58 0.00 0.00 0.00 175.10 173.75 1wfm s GLN 49 N -1.87 0.78 -0.19 2.72 0.74 -0.04 -1.91 119.66 119.89 1wfm s GLN 49 Ca 0.35 -0.06 -0.02 0.00 0.05 0.00 0.00 55.36 55.68 1wfm s GLN 49 Cb -0.15 -0.86 0.00 0.00 1.10 0.00 0.00 33.01 33.10 1wfm s GLN 49 CO 0.18 -0.13 -0.11 0.20 -0.55 0.00 0.00 175.29 174.89 1wfm s GLY 50 N 1.12 1.53 0.03 2.59 0.00 0.13 0.67 107.32 113.40 1wfm s GLY 50 Ca -0.08 -1.15 0.07 0.00 0.00 0.00 0.00 44.72 43.56 1wfm s GLY 50 CO -0.01 0.30 -0.20 -0.45 0.00 0.00 0.00 173.10 172.74 1wfm s SER 51 N 1.27 2.39 0.14 1.64 0.15 -1.17 -0.32 113.70 117.79 1wfm s SER 51 Ca 0.03 -0.49 0.06 0.00 0.70 0.00 0.00 55.95 56.25 1wfm s SER 51 Cb -0.14 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 63.92 1wfm s SER 51 CO -0.05 0.16 -0.14 -0.69 1.20 0.00 0.00 173.24 173.72 1wfm s VAL 52 N -0.75 1.40 -0.18 4.45 1.01 -0.08 -1.14 120.40 125.10 1wfm s VAL 52 Ca 0.07 -1.83 -0.02 0.00 0.00 0.00 0.00 61.98 60.20 1wfm s VAL 52 Cb -0.09 -1.65 0.06 0.00 0.00 0.00 0.00 36.38 34.70 1wfm s VAL 52 CO 0.01 -0.46 0.01 0.00 0.00 0.00 0.00 175.10 174.66 1wfm s ALA 53 N -2.36 1.12 0.16 5.51 0.00 -1.05 0.10 121.76 125.25 1wfm s ALA 53 Ca 0.12 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.43 1wfm s ALA 53 Cb -0.04 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1wfm s ALA 53 CO 0.03 -1.07 -0.09 0.54 0.00 0.00 0.00 175.76 175.17 1wfm s ASN 54 N 1.80 4.33 0.64 0.00 2.20 0.45 -3.19 114.94 121.16 1wfm s ASN 54 Ca -0.01 -0.51 0.24 0.00 -0.94 0.00 0.00 52.86 51.64 1wfm s ASN 54 Cb -0.17 -0.77 1.20 0.00 -2.00 0.00 0.00 41.25 39.51 1wfm s ASN 54 CO -0.07 0.12 1.67 0.03 -2.94 0.00 0.00 177.10 175.91 1wfm h ARG 55 N 3.08 0.00 0.07 3.55 3.08 -1.91 1.46 114.38 123.72 1wfm h ARG 55 Ca -0.47 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.32 1wfm h ARG 55 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1wfm h ARG 55 CO 0.54 0.00 -1.22 1.79 -1.07 0.00 0.00 179.97 180.01 1wfm h THR 56 N 0.00 1.50 0.00 2.04 1.35 -1.93 -3.50 112.91 112.37 1wfm h THR 56 Ca 0.12 -3.14 0.00 0.00 -0.55 0.00 0.00 66.41 62.84 1wfm h THR 56 Cb 1.34 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 70.62 1wfm h THR 56 CO -0.00 0.89 0.00 0.61 -0.25 0.00 0.00 175.52 176.77 1wfm n GLY 57 N 1.49 -0.79 3.25 5.82 0.00 0.50 -5.16 105.19 110.29 1wfm n GLY 57 Ca -0.07 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.14 0.24 1.61 1.04 -1.26 0.17 113.70 111.35 1wfm s SER 58 Ca 0.00 -0.11 0.05 0.00 0.48 0.00 0.00 55.95 56.37 1wfm s SER 58 Cb 0.00 0.34 -0.05 0.00 0.10 0.00 0.00 66.02 66.41 1wfm s SER 58 CO 0.00 -0.56 -0.05 0.68 0.98 0.00 0.00 173.24 174.29 1wfm s VAL 59 N -2.18 1.33 0.00 5.02 -7.23 0.12 -4.96 120.40 112.50 1wfm s VAL 59 Ca -0.08 -2.09 -0.16 0.00 -1.81 0.00 0.00 61.98 57.85 1wfm s VAL 59 Cb -0.02 -2.29 0.03 0.00 0.56 0.00 0.00 36.38 34.65 1wfm s VAL 59 CO -0.01 -0.39 0.34 -1.61 -0.31 0.00 0.00 175.10 173.12 1wfm s GLU 60 N -3.78 0.76 0.15 4.82 2.02 -1.26 -0.90 118.70 120.50 1wfm s GLU 60 Ca 0.27 -0.26 -0.24 0.00 0.02 0.00 0.00 54.97 54.76 1wfm s GLU 60 Cb 0.04 0.33 0.06 0.00 0.10 0.00 0.00 34.13 34.67 1wfm s GLU 60 CO 0.09 -0.23 0.81 0.00 0.02 0.00 0.00 175.26 175.95 1wfm s ALA 61 N -1.73 -1.57 0.25 5.21 0.00 0.56 -4.96 121.76 119.51 1wfm s ALA 61 Ca -0.10 0.27 -0.22 0.00 0.00 0.00 0.00 51.96 51.91 1wfm s ALA 61 Cb -0.03 0.70 0.04 0.00 0.00 0.00 0.00 23.12 23.82 1wfm s ALA 61 CO 0.02 -0.91 0.81 1.14 0.00 0.00 0.00 175.76 176.82 1wfm s GLN 62 N -3.51 1.64 0.49 0.00 1.03 -1.26 0.20 119.66 118.25 1wfm s GLN 62 Ca 0.08 -0.93 0.07 0.00 0.04 0.00 0.00 55.36 54.62 1wfm s GLN 62 Cb -0.02 0.54 0.02 0.00 0.03 0.00 0.00 33.01 33.58 1wfm s GLN 62 CO -0.02 -0.75 0.48 0.95 -2.54 0.00 0.00 175.29 173.41 1wfm s THR 63 N -3.48 2.22 0.18 3.63 -4.23 -0.80 -4.94 115.64 108.21 1wfm s THR 63 Ca 0.12 -1.31 -0.30 0.00 -1.18 0.00 0.00 61.69 59.03 1wfm s THR 63 Cb -0.04 -2.52 -0.08 0.00 1.34 0.00 0.00 72.50 71.19 1wfm s THR 63 CO 0.06 0.00 1.21 0.00 -0.54 0.00 0.00 174.62 175.35 1wfm s ALA 64 N -2.61 3.45 0.68 3.99 0.00 -1.26 -4.71 121.76 121.29 1wfm s ALA 64 Ca 0.46 0.96 -0.17 0.00 0.00 0.00 0.00 51.96 53.21 1wfm s ALA 64 Cb -0.04 -3.42 -0.14 0.00 0.00 0.00 0.00 23.12 19.52 1wfm s ALA 64 CO 0.28 -0.40 -0.24 1.28 0.00 0.00 0.00 175.76 176.68 1wfm n LEU 65 N 2.63 -3.80 -3.74 0.00 7.99 -1.26 -4.90 117.00 113.92 1wfm n LEU 65 Ca 0.05 0.51 -0.13 0.00 -0.01 0.00 0.00 56.01 56.43 1wfm n LEU 65 Cb 0.45 -0.87 -0.11 0.00 -0.11 0.00 0.00 43.42 42.78 1wfm n LEU 65 CO 0.56 -4.95 0.03 -0.54 -1.51 0.00 0.00 177.39 170.98 1wfm s LYS 66 N -1.52 0.41 0.32 3.23 -0.14 -0.86 -4.98 119.74 116.20 1wfm s LYS 66 Ca 0.53 0.54 -0.29 0.00 -1.36 0.00 0.00 55.97 55.39 1wfm s LYS 66 Cb -0.39 0.16 -0.12 0.00 -1.68 0.00 0.00 37.83 35.81 1wfm s LYS 66 CO 0.70 -0.07 1.43 0.36 -0.76 0.00 0.00 175.35 177.01 1wfm n LYS 67 N 3.11 2.39 -1.80 1.68 0.00 -1.26 -2.05 118.16 120.22 1wfm n LYS 67 Ca -0.15 0.84 -0.42 0.00 -0.00 0.00 0.00 58.31 58.58 1wfm n LYS 67 Cb 0.57 -2.52 -0.03 0.00 -0.00 0.00 0.00 35.03 33.05 1wfm n LYS 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1wfm s ARG 68 N -1.41 4.16 0.31 -1.58 6.06 -1.26 -4.87 118.95 120.36 1wfm s ARG 68 Ca 0.59 2.51 0.02 0.00 -2.50 0.00 0.00 55.73 56.34 1wfm s ARG 68 Cb -0.54 -3.27 -0.00 0.00 0.06 0.00 0.00 34.95 31.19 1wfm s ARG 68 CO 0.58 -0.73 0.37 1.04 -2.50 0.00 0.00 175.30 174.06 1wfm n GLN 69 N 4.54 0.54 0.19 5.12 1.13 -1.26 -5.00 117.38 122.64 1wfm n GLN 69 Ca 0.16 -2.70 0.12 0.00 -1.94 0.00 0.00 57.00 52.63 1wfm n GLN 69 Cb 0.37 2.45 0.13 0.00 0.11 0.00 0.00 30.24 33.30 1wfm n GLN 69 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1wfm h LEU 70 N 0.00 0.00 -5.45 1.08 4.07 -1.92 -3.30 115.31 109.79 1wfm h LEU 70 Ca -0.23 -0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.41 1wfm h LEU 70 Cb 1.08 0.00 -0.24 0.00 1.08 0.00 0.00 40.66 42.58 1wfm h LEU 70 CO 0.32 0.00 -0.68 1.57 -1.08 0.00 0.00 178.44 178.57 1wfm n HIS 71 N -2.96 -2.65 -2.74 1.13 -0.00 -1.25 -4.19 115.22 102.56 1wfm n HIS 71 Ca 0.03 -2.16 -0.43 0.00 0.46 0.00 0.00 57.72 55.62 1wfm n HIS 71 Cb 0.53 1.00 -0.03 0.00 -0.12 0.00 0.00 29.99 31.37 1wfm n HIS 71 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1wfm s THR 72 N 0.41 4.50 -0.09 3.57 2.01 -1.11 -4.92 115.64 120.01 1wfm s THR 72 Ca 0.32 1.28 0.01 0.00 0.31 0.00 0.00 61.69 63.61 1wfm s THR 72 Cb 0.07 -4.40 -0.02 0.00 0.01 0.00 0.00 72.50 68.16 1wfm s THR 72 CO -0.13 -0.62 -0.12 0.42 -0.69 0.00 0.00 174.62 173.48 1wfm s THR 73 N 3.68 3.26 0.28 -0.82 -4.23 -1.26 -2.14 115.64 114.41 1wfm s THR 73 Ca 0.41 -0.63 0.04 0.00 -1.18 0.00 0.00 61.69 60.34 1wfm s THR 73 Cb -0.11 -2.33 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 1wfm s THR 73 CO 0.21 0.57 0.42 0.26 -0.54 0.00 0.00 174.62 175.53 1wfm s TRP 74 N -0.35 3.41 -0.30 3.99 0.51 -1.10 -5.01 118.94 120.10 1wfm s TRP 74 Ca 0.04 0.03 0.22 0.00 -2.12 0.00 0.00 56.10 54.28 1wfm s TRP 74 Cb -0.13 -1.71 0.11 0.00 -0.81 0.00 0.00 33.47 30.93 1wfm s TRP 74 CO 0.02 0.29 1.23 1.49 -0.51 0.00 0.00 176.95 179.48 1wfm h GLU 75 N 1.03 0.00 -5.18 4.98 4.81 -1.99 -3.44 114.58 114.79 1wfm h GLU 75 Ca -0.51 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.28 1wfm h GLU 75 Cb 1.23 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.47 1wfm h GLU 75 CO 0.60 0.01 -0.62 -1.83 -0.73 0.00 0.00 179.01 176.44 1wfm s GLU 76 N -3.30 1.56 0.28 1.92 -1.05 -1.26 -5.05 118.70 111.80 1wfm s GLU 76 Ca 0.02 -1.85 0.00 0.00 -0.15 0.00 0.00 54.97 52.99 1wfm s GLU 76 Cb 0.08 -0.77 -0.00 0.00 -0.44 0.00 0.00 34.13 33.00 1wfm s GLU 76 CO 0.75 -0.17 0.01 0.41 0.95 0.00 0.00 175.26 177.21 1wfm n GLY 77 N -0.61 3.82 3.97 -3.83 0.00 -1.26 -4.73 105.19 102.55 1wfm n GLY 77 Ca -0.03 -2.28 -0.21 0.00 0.00 0.00 0.00 46.02 43.51 1wfm n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wfm s LEU 78 N 0.00 3.63 -0.30 0.99 1.43 -0.61 -4.84 118.68 118.99 1wfm s LEU 78 Ca 0.01 0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 53.12 1wfm s LEU 78 Cb 0.00 -2.97 0.17 0.00 0.03 0.00 0.00 46.19 43.43 1wfm s LEU 78 CO 0.01 -0.75 0.68 0.54 0.23 0.00 0.00 176.35 177.05 1wfm s VAL 79 N -2.51 -0.91 -0.02 -1.59 0.11 -1.26 0.14 120.40 114.37 1wfm s VAL 79 Ca 0.50 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.57 1wfm s VAL 79 Cb -0.10 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 1wfm s VAL 79 CO 0.36 0.00 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.32 1wfm s LEU 80 N 2.86 3.26 -0.07 2.54 2.01 -0.98 -4.86 118.68 123.44 1wfm s LEU 80 Ca 0.11 -0.07 -0.30 0.00 0.01 0.00 0.00 54.13 53.89 1wfm s LEU 80 Cb -0.13 -1.82 -0.03 0.00 0.01 0.00 0.00 46.19 44.22 1wfm s LEU 80 CO -0.19 0.31 1.23 -2.16 1.01 0.00 0.00 176.35 176.55 1wfm s PRO 81 N -1.23 4.32 -0.16 1.29 0.04 -1.26 0.12 135.00 138.12 1wfm s PRO 81 Ca 0.16 1.70 -0.13 0.00 0.04 0.00 0.00 61.00 62.77 1wfm s PRO 81 Cb -0.11 -3.60 0.05 0.00 0.04 0.00 0.00 34.50 30.88 1wfm s PRO 81 CO 0.06 -0.51 0.41 -1.17 0.04 0.00 0.00 177.00 175.83 1wfm s LEU 82 N 2.47 0.28 0.23 -3.56 1.98 -0.54 -4.89 118.68 114.65 1wfm s LEU 82 Ca 0.56 0.84 -0.16 0.00 -2.89 0.00 0.00 54.13 52.49 1wfm s LEU 82 Cb -0.25 1.39 -0.08 0.00 0.66 0.00 0.00 46.19 47.91 1wfm s LEU 82 CO 0.21 -0.16 0.66 0.00 -1.89 0.00 0.00 176.35 175.17 1wfm s ALA 83 N 0.55 3.45 0.02 5.97 0.00 -1.26 -3.99 121.76 126.51 1wfm s ALA 83 Ca -0.03 0.00 0.30 0.00 0.00 0.00 0.00 51.96 52.24 1wfm s ALA 83 Cb -0.04 -2.68 1.51 0.00 0.00 0.00 0.00 23.12 21.90 1wfm s ALA 83 CO -0.03 0.38 1.92 1.49 0.00 0.00 0.00 175.76 179.52 1wfm h GLU 84 N 3.03 0.00 -0.01 0.00 4.81 -1.92 0.21 114.58 120.70 1wfm h GLU 84 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1wfm h GLU 84 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1wfm h GLU 84 CO 0.66 0.00 -0.10 -0.85 -0.73 0.00 0.00 179.01 177.99 1wfm n GLU 85 N -2.61 1.15 0.00 1.92 0.28 -1.26 -3.50 120.64 116.61 1wfm n GLU 85 Ca -0.01 -0.57 0.00 0.00 -0.16 0.00 0.00 57.16 56.42 1wfm n GLU 85 Cb 0.13 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.51 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 -0.43 1.80 -0.30 3.44 1.02 0.63 -4.71 120.64 122.10 1wfm n GLU 86 Ca 0.17 -0.27 0.02 0.00 -0.02 0.00 0.00 57.16 57.05 1wfm n GLU 86 Cb 0.31 -0.75 0.09 0.00 -0.02 0.00 0.00 31.44 31.07 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 0.00 -0.89 -0.71 -4.62 3.38 -1.25 1.65 115.31 112.88 1wfm h LEU 87 Ca 0.00 0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1wfm h LEU 87 Cb 0.04 0.55 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1wfm h LEU 87 CO 0.00 -0.28 -0.12 1.55 0.09 0.00 0.00 178.44 179.68 1wfm h PRO 88 N -0.02 0.00 -0.81 1.13 0.13 -1.85 -2.96 132.00 127.62 1wfm h PRO 88 Ca 0.39 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 65.09 1wfm h PRO 88 Cb 0.61 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.49 1wfm h PRO 88 CO -0.87 0.12 0.44 0.25 -0.23 0.00 0.00 178.00 177.71 1wfm n THR 89 N -3.18 3.03 -3.78 1.56 -2.24 0.50 -4.88 114.28 105.28 1wfm n THR 89 Ca 0.02 -2.20 -0.12 0.00 -2.27 0.00 0.00 64.05 59.48 1wfm n THR 89 Cb 0.47 -0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 68.17 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 -3.30 -0.65 0.09 6.98 0.00 0.25 -3.33 121.76 121.80 1wfm s ALA 90 Ca 0.54 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 1wfm s ALA 90 Cb 0.46 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 1wfm s ALA 90 CO 0.07 -0.34 0.01 0.99 0.00 0.00 0.00 175.76 176.49 1wfm s THR 91 N -2.08 0.22 -0.11 0.00 2.01 -1.19 -4.26 115.64 110.22 1wfm s THR 91 Ca -0.08 -1.87 0.01 0.00 0.31 0.00 0.00 61.69 60.06 1wfm s THR 91 Cb -0.03 -1.77 0.02 0.00 0.01 0.00 0.00 72.50 70.73 1wfm s THR 91 CO -0.01 -0.75 -0.13 -0.22 -0.69 0.00 0.00 174.62 172.83 1wfm s LEU 92 N -2.99 1.60 -0.27 4.42 1.98 -1.24 -2.54 118.68 119.64 1wfm s LEU 92 Ca 0.15 -0.39 0.02 0.00 -2.89 0.00 0.00 54.13 51.01 1wfm s LEU 92 Cb 0.08 -1.02 0.07 0.00 0.66 0.00 0.00 46.19 45.98 1wfm s LEU 92 CO -0.04 -0.02 -0.02 -0.89 -1.89 0.00 0.00 176.35 173.49 1wfm s THR 93 N 1.16 1.70 0.21 3.68 2.01 -0.30 -0.90 115.64 123.20 1wfm s THR 93 Ca -0.04 -1.56 -0.30 0.00 0.31 0.00 0.00 61.69 60.10 1wfm s THR 93 Cb -0.14 -2.05 -0.08 0.00 0.01 0.00 0.00 72.50 70.23 1wfm s THR 93 CO -0.04 -0.28 1.06 -0.76 -0.69 0.00 0.00 174.62 173.92 1wfm s LEU 94 N 1.27 4.53 -0.07 4.42 1.43 0.15 -3.07 118.68 127.35 1wfm s LEU 94 Ca -0.00 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.19 1wfm s LEU 94 Cb -0.19 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.44 1wfm s LEU 94 CO -0.09 -0.13 -0.05 -0.89 0.23 0.00 0.00 176.35 175.42 1wfm s THR 95 N -0.61 0.68 -0.57 5.49 2.01 0.21 -0.33 115.64 122.52 1wfm s THR 95 Ca 0.47 -0.15 -0.15 0.00 0.31 0.00 0.00 61.69 62.17 1wfm s THR 95 Cb -0.29 -0.72 0.14 0.00 0.01 0.00 0.00 72.50 71.65 1wfm s THR 95 CO 0.36 0.28 0.52 -0.22 -0.69 0.00 0.00 174.62 174.87 1wfm s LEU 96 N 1.28 6.23 0.14 4.42 0.20 -0.06 -0.86 118.68 130.03 1wfm s LEU 96 Ca -0.05 -1.92 -0.02 0.00 0.69 0.00 0.00 54.13 52.83 1wfm s LEU 96 Cb -0.14 -2.19 -0.05 0.00 -0.43 0.00 0.00 46.19 43.38 1wfm s LEU 96 CO -0.02 -0.81 0.34 -0.13 -0.29 0.00 0.00 176.35 175.44 1wfm s ARG 97 N 1.38 3.54 -0.19 1.98 3.00 -1.17 0.20 118.95 127.69 1wfm s ARG 97 Ca 0.05 -0.25 -0.09 0.00 0.00 0.00 0.00 55.73 55.44 1wfm s ARG 97 Cb -0.27 -2.90 -0.04 0.00 0.00 0.00 0.00 34.95 31.74 1wfm s ARG 97 CO 0.01 0.49 0.09 0.95 0.00 0.00 0.00 175.30 176.84 1wfm s THR 98 N -1.68 5.06 -0.75 0.02 -4.23 -1.26 -2.93 115.64 109.87 1wfm s THR 98 Ca 0.39 0.06 -0.30 0.00 -1.18 0.00 0.00 61.69 60.66 1wfm s THR 98 Cb -0.12 -3.29 -0.15 0.00 1.34 0.00 0.00 72.50 70.27 1wfm s THR 98 CO 0.27 0.45 2.55 0.00 -0.54 0.00 0.00 174.62 177.34 1wfm n ASP 100 N 12.51 0.00 0.00 0.00 5.68 -1.26 -4.48 116.55 129.00 1wfm n ASP 100 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.82 1wfm n ASP 100 Cb 0.24 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 1wfm n ASP 100 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1wfm n ARG 101 N -1.97 0.00 0.00 0.11 0.63 -1.26 -4.99 116.66 109.19 1wfm n ARG 101 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1wfm n ARG 101 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1wfm n ARG 101 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1wfm n PHE 102 N 0.00 0.00 -3.92 -0.14 3.72 -1.26 -5.03 117.46 110.83 1wfm n PHE 102 Ca 0.00 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.10 1wfm n PHE 102 Cb 0.00 0.02 0.02 0.00 -0.94 0.00 0.00 39.48 38.58 1wfm n PHE 102 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1wfm n SER 103 N -2.40 -4.15 -4.73 4.37 3.41 -1.26 -4.94 113.62 103.92 1wfm n SER 103 Ca 0.00 -0.81 -0.36 0.00 -0.26 0.00 0.00 58.87 57.44 1wfm n SER 103 Cb 0.39 -3.80 -0.07 0.00 -0.26 0.00 0.00 64.21 60.47 1wfm n SER 103 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1wfm s ARG 104 N -6.57 4.21 0.47 4.33 0.52 -1.26 -4.89 118.95 115.75 1wfm s ARG 104 Ca 0.57 -0.00 0.00 0.00 -0.52 0.00 0.00 55.73 55.78 1wfm s ARG 104 Cb -0.29 -3.41 0.00 0.00 0.52 0.00 0.00 34.95 31.77 1wfm s ARG 104 CO 0.84 0.28 0.00 0.72 0.02 0.00 0.00 175.30 177.16 1wfm n HIS 105 N 3.48 -4.22 -1.49 -0.53 8.25 -1.26 -4.99 115.22 114.46 1wfm n HIS 105 Ca -0.13 2.24 0.00 0.00 -0.26 0.00 0.00 57.72 59.56 1wfm n HIS 105 Cb 0.52 -3.42 0.00 0.00 1.12 0.00 0.00 29.99 28.21 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 -0.64 -8.04 -4.33 0.41 7.64 -1.26 -5.06 113.62 102.33 1wfm n SER 106 Ca 0.00 1.12 -0.17 0.00 1.01 0.00 0.00 58.87 60.83 1wfm n SER 106 Cb 0.00 -4.15 -0.10 0.00 -1.01 0.00 0.00 64.21 58.95 1wfm n SER 106 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1wfm s VAL 107 N -2.58 0.85 0.42 0.44 -7.23 -1.26 -5.00 120.40 106.03 1wfm s VAL 107 Ca 0.00 -2.01 0.39 0.00 -1.81 0.00 0.00 61.98 58.55 1wfm s VAL 107 Cb 0.00 -2.49 0.42 0.00 0.56 0.00 0.00 36.38 34.87 1wfm s VAL 107 CO 0.00 -0.18 2.20 0.00 -0.31 0.00 0.00 175.10 176.81 1wfm h ALA 108 N 2.41 1.02 0.00 1.32 0.00 0.18 -3.44 119.26 120.75 1wfm h ALA 108 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1wfm h ALA 108 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1wfm h ALA 108 CO 0.64 0.01 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1wfm n GLY 109 N -0.59 1.86 3.58 0.00 0.00 -1.15 -4.71 105.19 104.18 1wfm n GLY 109 Ca -0.01 0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1wfm n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wfm s GLU 110 N -0.31 3.27 -0.27 1.61 2.02 -1.26 -0.88 118.70 122.87 1wfm s GLU 110 Ca 0.00 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 54.52 1wfm s GLU 110 Cb 0.00 -2.82 0.08 0.00 0.10 0.00 0.00 34.13 31.49 1wfm s GLU 110 CO 0.00 0.48 0.00 -1.17 0.02 0.00 0.00 175.26 174.60 1wfm s LEU 111 N -0.29 2.89 0.35 1.80 1.98 0.55 0.41 118.68 126.37 1wfm s LEU 111 Ca 0.05 -1.46 -0.26 0.00 -2.89 0.00 0.00 54.13 49.58 1wfm s LEU 111 Cb -0.12 -1.18 -0.09 0.00 0.66 0.00 0.00 46.19 45.45 1wfm s LEU 111 CO 0.02 -0.31 1.02 -0.60 -1.89 0.00 0.00 176.35 174.59 1wfm s ARG 112 N 1.36 4.40 0.26 1.98 6.06 -1.26 -0.67 118.95 131.08 1wfm s ARG 112 Ca 0.01 1.48 -0.04 0.00 -2.50 0.00 0.00 55.73 54.69 1wfm s ARG 112 Cb -0.18 -2.74 -0.02 0.00 0.06 0.00 0.00 34.95 32.07 1wfm s ARG 112 CO -0.11 0.08 0.32 -0.51 -2.50 0.00 0.00 175.30 172.58 1wfm s LEU 113 N -2.23 0.95 -0.00 -0.88 1.43 -0.08 -4.94 118.68 112.93 1wfm s LEU 113 Ca 0.53 -1.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.31 1wfm s LEU 113 Cb -0.22 1.04 -0.00 0.00 0.03 0.00 0.00 46.19 47.04 1wfm s LEU 113 CO 0.28 -1.06 -0.03 -0.83 0.23 0.00 0.00 176.35 174.94 1wfm s GLY 114 N -3.16 0.17 -0.17 -3.19 0.00 -1.26 -3.60 107.32 96.10 1wfm s GLY 114 Ca 0.33 -0.14 0.08 0.00 0.00 0.00 0.00 44.72 44.98 1wfm s GLY 114 CO 0.15 -0.11 0.17 1.04 0.00 0.00 0.00 173.10 174.35 1wfm n LEU 115 N 3.01 1.50 -0.42 0.66 4.77 -1.26 -4.13 117.00 121.12 1wfm n LEU 115 Ca -0.13 0.09 0.40 0.00 -0.03 0.00 0.00 56.01 56.34 1wfm n LEU 115 Cb 0.59 -0.26 0.68 0.00 -2.33 0.00 0.00 43.42 42.10 1wfm n LEU 115 CO 0.26 0.66 1.37 -2.24 -1.33 0.00 0.00 177.39 176.10 1wfm h ASP 116 N 0.01 0.00 0.00 -1.43 2.03 -1.77 -3.43 116.42 111.84 1wfm h ASP 116 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 1wfm h ASP 116 Cb 2.06 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.56 1wfm h ASP 116 CO 0.02 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.84 1wfm n GLY 117 N -1.80 1.65 0.00 7.15 0.00 -1.26 -4.89 105.19 106.03 1wfm n GLY 117 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.60 0.00 -0.37 2.61 -1.04 -1.26 -4.73 114.28 108.90 1wfm n THR 118 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1wfm n THR 118 Cb 0.00 -0.60 -0.09 0.00 -1.82 0.00 0.00 70.33 67.83 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 -0.90 -0.92 -4.03 8.00 7.64 -1.26 -4.39 113.62 117.76 1wfm n SER 119 Ca 0.00 1.64 -0.22 0.00 1.01 0.00 0.00 58.87 61.30 1wfm n SER 119 Cb 0.00 -0.24 -0.16 0.00 -1.01 0.00 0.00 64.21 62.80 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 -5.25 0.94 0.94 0.44 0.11 -1.26 -4.93 120.40 111.39 1wfm s VAL 120 Ca -0.10 -0.43 -0.13 0.00 -2.93 0.00 0.00 61.98 58.38 1wfm s VAL 120 Cb 0.10 -0.83 0.16 0.00 -1.53 0.00 0.00 36.38 34.27 1wfm s VAL 120 CO 0.54 0.29 1.15 -2.16 -3.33 0.00 0.00 175.10 171.59 1wfm s PRO 121 N 0.22 0.86 0.17 1.54 0.04 -1.26 -4.43 135.00 132.14 1wfm s PRO 121 Ca -0.04 0.18 0.01 0.00 0.04 0.00 0.00 61.00 61.18 1wfm s PRO 121 Cb -0.10 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1wfm s PRO 121 CO 0.01 -2.37 0.33 -0.51 0.04 0.00 0.00 177.00 174.51 1wfm s LEU 122 N -6.11 4.28 -1.41 -3.56 1.43 -1.26 -4.18 118.68 107.88 1wfm s LEU 122 Ca 0.66 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 1wfm s LEU 122 Cb -0.13 -3.04 0.00 0.00 0.03 0.00 0.00 46.19 43.05 1wfm s LEU 122 CO 0.53 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.73 1wfm n GLY 123 N -0.57 1.26 2.85 -3.19 0.00 0.52 -4.90 105.19 101.15 1wfm n GLY 123 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1wfm n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfm s ALA 124 N -2.09 2.02 0.24 4.61 0.00 -1.25 -5.02 121.76 120.27 1wfm s ALA 124 Ca 0.00 -1.92 -0.30 0.00 0.00 0.00 0.00 51.96 49.74 1wfm s ALA 124 Cb 0.00 -1.71 -0.10 0.00 0.00 0.00 0.00 23.12 21.31 1wfm s ALA 124 CO 0.00 -1.62 1.41 0.00 0.00 0.00 0.00 175.76 175.54 1wfm s ALA 125 N 1.36 3.60 0.42 0.00 0.00 -1.26 -4.51 121.76 121.38 1wfm s ALA 125 Ca 0.09 1.27 0.03 0.00 0.00 0.00 0.00 51.96 53.35 1wfm s ALA 125 Cb -0.18 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 1wfm s ALA 125 CO -0.18 -0.69 0.10 -0.65 0.00 0.00 0.00 175.76 174.34 1wfm s GLN 126 N -0.33 1.96 -0.60 0.00 -1.52 -0.99 -5.01 119.66 113.18 1wfm s GLN 126 Ca 0.59 -2.20 0.04 0.00 -1.95 0.00 0.00 55.36 51.84 1wfm s GLN 126 Cb -0.40 -0.82 0.17 0.00 -0.22 0.00 0.00 33.01 31.73 1wfm s GLN 126 CO 0.42 -0.43 0.43 -1.58 -0.25 0.00 0.00 175.29 173.88 1wfm s TRP 127 N -3.14 2.81 0.79 0.91 0.52 -1.26 -3.31 118.94 116.26 1wfm s TRP 127 Ca 0.21 -3.01 -0.12 0.00 0.02 0.00 0.00 56.10 53.20 1wfm s TRP 127 Cb 0.03 -2.20 0.07 0.00 -1.15 0.00 0.00 33.47 30.21 1wfm s TRP 127 CO 0.12 -0.64 1.13 0.20 0.02 0.00 0.00 176.95 177.78 1wfm s GLY 128 N -0.89 1.61 -0.06 0.98 0.00 -1.21 -4.88 107.32 102.87 1wfm s GLY 128 Ca 0.26 -0.45 0.06 0.00 0.00 0.00 0.00 44.72 44.59 1wfm s GLY 128 CO -0.15 -0.00 -0.25 1.85 0.00 0.00 0.00 173.10 174.55 1wfm s GLU 129 N -5.39 2.55 0.14 2.90 2.12 -1.26 -1.23 118.70 118.54 1wfm s GLU 129 Ca 0.61 -0.90 -0.31 0.00 0.36 0.00 0.00 54.97 54.73 1wfm s GLU 129 Cb -0.12 -2.15 -0.09 0.00 0.26 0.00 0.00 34.13 32.03 1wfm s GLU 129 CO 0.51 0.37 1.44 -0.51 -0.54 0.00 0.00 175.26 176.53 1wfm s LEU 130 N -0.13 4.37 0.34 2.70 1.43 0.89 -4.76 118.68 123.52 1wfm s LEU 130 Ca -0.04 2.44 0.15 0.00 -1.03 0.00 0.00 54.13 55.65 1wfm s LEU 130 Cb -0.14 -3.59 0.58 0.00 0.03 0.00 0.00 46.19 43.07 1wfm s LEU 130 CO 0.04 -0.70 1.70 0.11 0.23 0.00 0.00 176.35 177.73 1wfm h LYS 131 N 6.59 0.00 0.00 1.70 1.79 -0.37 -3.43 116.57 122.85 1wfm h LYS 131 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1wfm h LYS 131 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1wfm h LYS 131 CO 0.87 0.46 0.00 0.25 -1.08 0.00 0.00 179.45 179.94 1wfm n THR 132 N -3.68 0.00 -3.93 -0.16 -2.24 -1.26 -4.86 114.28 98.15 1wfm n THR 132 Ca -0.01 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.76 1wfm n THR 132 Cb 0.53 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.78 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 -2.93 -1.57 -4.27 3.42 7.64 -1.26 -4.77 113.62 109.88 1wfm n SER 133 Ca 0.00 -1.72 -0.39 0.00 1.01 0.00 0.00 58.87 57.78 1wfm n SER 133 Cb 0.00 2.53 0.02 0.00 -1.01 0.00 0.00 64.21 65.75 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 -0.77 -3.01 1.43 0.23 0.00 -1.26 -4.96 105.19 96.85 1wfm n GLY 134 Ca -0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 1wfm n GLY 134 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfm n PRO 135 N 1.27 -1.16 -2.73 1.61 -0.04 -1.26 -4.77 135.00 127.91 1wfm n PRO 135 Ca 0.08 -0.74 -0.03 0.00 -0.04 0.00 0.00 63.50 62.76 1wfm n PRO 135 Cb 0.48 -0.58 0.00 0.00 -0.04 0.00 0.00 33.50 33.36 1wfm n PRO 135 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfm n SER 136 N -3.53 -7.81 -2.71 3.54 2.88 -1.26 -5.04 113.62 99.70 1wfm n SER 136 Ca 0.06 1.01 -0.04 0.00 -1.33 0.00 0.00 58.87 58.58 1wfm n SER 136 Cb 0.23 -5.23 0.03 0.00 -0.75 0.00 0.00 64.21 58.49 1wfm n SER 136 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wfm n SER 137 N 0.25 -2.28 0.00 -3.46 2.88 -1.26 -5.23 113.62 104.52 1wfm n SER 137 Ca 0.05 -1.91 0.00 0.00 -1.33 0.00 0.00 58.87 55.68 1wfm n SER 137 Cb 0.19 1.19 0.00 0.00 -0.75 0.00 0.00 64.21 64.84 1wfm n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42