#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 0.19 -0.13 1.61 0.15 -1.26 -5.09 113.70 109.18 1wfm s SER 2 Ca 0.00 -0.70 -0.15 0.00 0.70 0.00 0.00 55.95 55.80 1wfm s SER 2 Cb 0.00 0.30 -0.05 0.00 -1.71 0.00 0.00 66.02 64.56 1wfm s SER 2 CO 0.00 -0.68 -0.28 -0.24 1.20 0.00 0.00 173.24 173.23 1wfm n SER 3 N 0.06 1.76 0.00 5.45 2.88 -1.26 -5.15 113.62 117.36 1wfm n SER 3 Ca -0.15 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1wfm n SER 3 Cb 0.62 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 1wfm n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfm n GLY 4 N 1.80 0.86 3.69 0.46 0.00 -1.26 -5.09 105.19 105.64 1wfm n GLY 4 Ca -0.11 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 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 -4.00 3.30 -0.17 1.61 0.15 -1.26 -4.75 113.70 108.58 1wfm s SER 5 Ca 0.00 1.78 -0.15 0.00 0.70 0.00 0.00 55.95 58.29 1wfm s SER 5 Cb 0.00 -2.40 -0.06 0.00 -1.71 0.00 0.00 66.02 61.86 1wfm s SER 5 CO 0.00 -2.79 -0.27 -1.54 1.20 0.00 0.00 173.24 169.84 1wfm n SER 6 N -4.01 1.89 0.00 5.45 3.41 -1.26 -4.77 113.62 114.32 1wfm n SER 6 Ca 0.08 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1wfm n SER 6 Cb 0.54 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1wfm n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfm n GLY 7 N 1.51 -0.19 1.44 5.00 0.00 -1.26 -4.66 105.19 107.02 1wfm n GLY 7 Ca -0.14 0.11 0.18 0.00 0.00 0.00 0.00 46.02 46.18 1wfm n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfm n SER 8 N 0.00 -8.63 0.00 1.61 3.41 -1.26 -5.03 113.62 103.72 1wfm n SER 8 Ca 0.00 1.02 0.00 0.00 -0.26 0.00 0.00 58.87 59.63 1wfm n SER 8 Cb 0.00 -4.64 0.00 0.00 -0.26 0.00 0.00 64.21 59.31 1wfm n SER 8 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1wfm n TRP 9 N -4.30 -1.92 0.00 7.33 5.03 -1.26 -5.00 117.44 117.32 1wfm n TRP 9 Ca -0.04 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.49 1wfm n TRP 9 Cb 0.67 0.46 0.00 0.00 -1.03 0.00 0.00 31.31 31.41 1wfm n TRP 9 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 1wfm n ASN 10 N -2.37 0.00 -4.59 -0.99 3.02 -1.26 -5.11 115.26 103.95 1wfm n ASN 10 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 1wfm n ASN 10 Cb 0.00 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.38 1wfm n ASN 10 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1wfm s GLN 11 N -0.48 -0.03 0.01 3.52 1.11 -1.26 -5.07 119.66 117.46 1wfm s GLN 11 Ca 0.00 0.82 -0.10 0.00 0.01 0.00 0.00 55.36 56.09 1wfm s GLN 11 Cb 0.00 -1.66 0.01 0.00 -1.01 0.00 0.00 33.01 30.35 1wfm s GLN 11 CO 0.00 -3.12 0.20 0.00 0.01 0.00 0.00 175.29 172.38 1wfm s ALA 12 N -2.69 -0.46 0.03 6.09 0.00 -1.26 -4.90 121.76 118.56 1wfm s ALA 12 Ca 0.67 -0.06 -0.30 0.00 0.00 0.00 0.00 51.96 52.27 1wfm s ALA 12 Cb -0.22 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.00 1wfm s ALA 12 CO 0.61 -0.26 1.18 -1.25 0.00 0.00 0.00 175.76 176.04 1wfm s PRO 13 N -1.70 4.42 0.03 0.00 0.04 -1.26 -4.78 135.00 131.76 1wfm s PRO 13 Ca -0.12 1.72 0.04 0.00 0.04 0.00 0.00 61.00 62.68 1wfm s PRO 13 Cb -0.05 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 1wfm s PRO 13 CO 0.01 -0.29 -0.06 0.15 0.04 0.00 0.00 177.00 176.85 1wfm s LYS 14 N 1.36 2.50 -0.06 4.56 1.02 -0.05 -0.14 119.74 128.92 1wfm s LYS 14 Ca 0.57 -0.78 -0.03 0.00 0.02 0.00 0.00 55.97 55.76 1wfm s LYS 14 Cb -0.27 -2.48 0.04 0.00 -0.52 0.00 0.00 37.83 34.59 1wfm s LYS 14 CO 0.27 0.58 0.09 -1.17 -0.92 0.00 0.00 175.35 174.21 1wfm s LEU 15 N -1.64 0.08 0.03 3.17 2.96 0.88 0.18 118.68 124.33 1wfm s LEU 15 Ca 0.19 0.13 -0.17 0.00 -0.22 0.00 0.00 54.13 54.06 1wfm s LEU 15 Cb -0.11 -0.01 -0.06 0.00 0.50 0.00 0.00 46.19 46.51 1wfm s LEU 15 CO 0.10 -0.25 0.49 -2.28 -1.32 0.00 0.00 176.35 173.08 1wfm s HIS 16 N 2.21 3.76 -0.25 5.38 5.65 -0.82 -1.68 115.29 129.54 1wfm s HIS 16 Ca 0.04 1.13 -0.18 0.00 0.25 0.00 0.00 55.06 56.30 1wfm s HIS 16 Cb -0.12 -2.40 0.07 0.00 -1.18 0.00 0.00 32.58 28.95 1wfm s HIS 16 CO -0.04 0.61 0.63 1.52 -0.65 0.00 0.00 174.74 176.81 1wfm s TYR 17 N -1.05 -0.83 -0.42 3.88 -0.85 -1.10 -2.93 117.35 114.04 1wfm s TYR 17 Ca 0.26 1.83 -0.06 0.00 -0.52 0.00 0.00 57.07 58.58 1wfm s TYR 17 Cb -0.18 0.40 0.10 0.00 0.38 0.00 0.00 41.96 42.66 1wfm s TYR 17 CO 0.16 -0.41 0.25 0.00 -1.52 0.00 0.00 175.55 174.02 1wfm s LEU 19 N 1.29 4.31 -0.22 0.00 2.01 -1.26 -1.99 118.68 122.83 1wfm s LEU 19 Ca 0.05 1.86 -0.04 0.00 0.01 0.00 0.00 54.13 56.01 1wfm s LEU 19 Cb -0.24 -3.57 0.12 0.00 0.01 0.00 0.00 46.19 42.51 1wfm s LEU 19 CO -0.01 -0.52 0.36 -1.81 1.01 0.00 0.00 176.35 175.38 1wfm s ASP 20 N 1.30 0.32 -0.30 2.29 1.11 -0.81 0.19 116.67 120.76 1wfm s ASP 20 Ca 0.56 0.31 -0.15 0.00 0.18 0.00 0.00 52.55 53.45 1wfm s ASP 20 Cb -0.26 1.03 -0.03 0.00 1.07 0.00 0.00 42.92 44.74 1wfm s ASP 20 CO 0.25 -0.29 0.38 -0.47 1.18 0.00 0.00 175.17 176.21 1wfm s TYR 21 N 2.52 3.23 -1.00 4.23 5.04 -1.26 -1.93 117.35 128.17 1wfm s TYR 21 Ca 0.09 0.24 -0.15 0.00 -2.44 0.00 0.00 57.07 54.81 1wfm s TYR 21 Cb -0.15 -2.63 0.19 0.00 0.35 0.00 0.00 41.96 39.72 1wfm s TYR 21 CO -0.14 -0.32 1.11 0.34 -1.34 0.00 0.00 175.55 175.19 1wfm s ASP 22 N 1.69 6.88 0.50 4.32 -1.08 -1.12 -4.84 116.67 123.02 1wfm s ASP 22 Ca 0.14 -2.68 0.39 0.00 -0.52 0.00 0.00 52.55 49.88 1wfm s ASP 22 Cb -0.16 -2.32 1.57 0.00 -1.46 0.00 0.00 42.92 40.54 1wfm s ASP 22 CO 0.11 -0.74 1.63 0.00 0.52 0.00 0.00 175.17 176.69 1wfm h GLN 24 N 0.04 0.10 0.00 0.00 4.20 -1.97 -2.66 115.11 114.83 1wfm h GLN 24 Ca 0.83 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 59.47 1wfm h GLN 24 Cb 3.00 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 30.74 1wfm h GLN 24 CO -0.20 0.07 -0.90 0.87 -0.67 0.00 0.00 178.83 178.00 1wfm h LYS 25 N 0.11 0.00 -4.89 1.46 1.57 0.18 -3.48 116.57 111.52 1wfm h LYS 25 Ca 0.05 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.52 1wfm h LYS 25 Cb 0.02 0.00 0.12 0.00 0.08 0.00 0.00 32.23 32.45 1wfm h LYS 25 CO -0.05 0.16 -0.55 0.00 -0.57 0.00 0.00 179.45 178.43 1wfm n ALA 26 N -2.24 -1.13 -2.93 3.86 0.00 0.70 -4.93 120.51 113.85 1wfm n ALA 26 Ca -0.02 0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.59 1wfm n ALA 26 Cb 0.66 -4.21 -0.13 0.00 0.00 0.00 0.00 19.45 15.77 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 -5.93 0.12 0.24 0.00 2.02 -1.23 -1.32 118.70 112.60 1wfm s GLU 27 Ca 0.41 -0.16 -0.25 0.00 0.02 0.00 0.00 54.97 54.99 1wfm s GLU 27 Cb -0.18 0.05 -0.09 0.00 0.10 0.00 0.00 34.13 34.01 1wfm s GLU 27 CO 0.58 -0.02 0.83 -1.17 0.02 0.00 0.00 175.26 175.51 1wfm s LEU 28 N -0.44 4.46 0.05 1.80 1.98 0.85 -2.79 118.68 124.59 1wfm s LEU 28 Ca -0.05 1.68 0.07 0.00 -2.89 0.00 0.00 54.13 52.95 1wfm s LEU 28 Cb -0.03 -3.62 -0.03 0.00 0.66 0.00 0.00 46.19 43.17 1wfm s LEU 28 CO -0.00 0.08 -0.20 -0.36 -1.89 0.00 0.00 176.35 173.97 1wfm s PHE 29 N -1.39 1.79 -0.52 5.38 0.40 -0.81 0.76 117.98 123.59 1wfm s PHE 29 Ca 0.43 -0.38 0.06 0.00 -0.60 0.00 0.00 56.93 56.43 1wfm s PHE 29 Cb -0.21 -1.06 0.20 0.00 0.51 0.00 0.00 43.02 42.47 1wfm s PHE 29 CO 0.25 0.10 0.50 0.28 0.70 0.00 0.00 175.22 177.05 1wfm n VAL 30 N 1.77 0.30 -1.57 -0.44 0.31 -0.95 -1.92 118.33 115.83 1wfm n VAL 30 Ca -0.17 -4.26 -0.01 0.00 -0.01 0.00 0.00 64.34 59.88 1wfm n VAL 30 Cb 0.53 -1.94 0.01 0.00 -0.91 0.00 0.00 33.84 31.53 1wfm n VAL 30 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1wfm n THR 31 N 1.91 0.00 -3.67 2.52 -2.24 -0.84 -2.73 114.28 109.23 1wfm n THR 31 Ca 0.25 -0.06 -0.27 0.00 -2.27 0.00 0.00 64.05 61.70 1wfm n THR 31 Cb 0.45 -1.71 0.04 0.00 -2.10 0.00 0.00 70.33 67.01 1wfm n THR 31 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wfm n ARG 32 N -1.11 -2.26 -2.88 -0.78 5.12 -1.26 0.84 116.66 114.33 1wfm n ARG 32 Ca 0.01 0.52 -0.43 0.00 -1.93 0.00 0.00 57.85 56.03 1wfm n ARG 32 Cb 0.03 -4.55 -0.04 0.00 -1.16 0.00 0.00 32.46 26.73 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 -6.45 4.07 -0.36 0.55 1.43 -1.25 -2.73 118.68 113.94 1wfm s LEU 33 Ca 0.33 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.80 1wfm s LEU 33 Cb -0.11 -3.14 0.14 0.00 0.03 0.00 0.00 46.19 43.12 1wfm s LEU 33 CO 0.84 -0.85 0.25 -1.61 0.23 0.00 0.00 176.35 175.21 1wfm s GLU 34 N 3.36 0.58 0.23 1.70 2.02 -1.15 -2.52 118.70 122.93 1wfm s GLU 34 Ca 0.35 -1.27 -0.30 0.00 0.02 0.00 0.00 54.97 53.77 1wfm s GLU 34 Cb -0.12 -1.19 -0.09 0.00 0.10 0.00 0.00 34.13 32.83 1wfm s GLU 34 CO 0.20 -1.22 1.27 0.00 0.02 0.00 0.00 175.26 175.53 1wfm s ALA 35 N 1.09 3.49 -0.52 5.21 0.00 -0.94 -1.94 121.76 128.16 1wfm s ALA 35 Ca 0.19 1.09 0.07 0.00 0.00 0.00 0.00 51.96 53.31 1wfm s ALA 35 Cb -0.20 -3.45 0.26 0.00 0.00 0.00 0.00 23.12 19.72 1wfm s ALA 35 CO -0.00 -0.49 0.66 0.28 0.00 0.00 0.00 175.76 176.21 1wfm n VAL 36 N 2.05 0.98 0.07 0.00 0.31 0.46 -2.89 118.33 119.31 1wfm n VAL 36 Ca 0.04 -4.70 -0.13 0.00 -0.01 0.00 0.00 64.34 59.54 1wfm n VAL 36 Cb 0.43 -1.90 -0.09 0.00 -0.91 0.00 0.00 33.84 31.38 1wfm n VAL 36 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1wfm h THR 37 N 2.55 1.03 -4.07 2.52 1.35 -1.83 -0.10 112.91 114.35 1wfm h THR 37 Ca 0.14 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1wfm h THR 37 Cb 0.76 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1wfm h THR 37 CO 0.66 0.17 -0.92 -1.20 -0.25 0.00 0.00 175.52 173.98 1wfm n SER 38 N -5.01 -9.03 -3.04 5.36 7.64 -1.26 -4.40 113.62 103.87 1wfm n SER 38 Ca -0.09 1.31 -0.00 0.00 1.01 0.00 0.00 58.87 61.11 1wfm n SER 38 Cb 0.22 -4.88 -0.00 0.00 -1.01 0.00 0.00 64.21 58.54 1wfm n SER 38 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1wfm n ASN 39 N 1.01 -6.91 -3.04 6.43 3.02 -1.26 -4.93 115.26 109.58 1wfm n ASN 39 Ca 0.00 0.74 0.02 0.00 -0.03 0.00 0.00 54.58 55.31 1wfm n ASN 39 Cb 0.00 -2.72 -0.00 0.00 -0.61 0.00 0.00 39.78 36.45 1wfm n ASN 39 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1wfm s HIS 40 N -1.13 -1.09 -0.58 3.10 2.46 -1.26 -5.04 115.29 111.74 1wfm s HIS 40 Ca -0.01 0.31 -0.26 0.00 0.47 0.00 0.00 55.06 55.58 1wfm s HIS 40 Cb 0.00 0.20 -0.09 0.00 -0.13 0.00 0.00 32.58 32.56 1wfm s HIS 40 CO 0.24 -0.71 2.39 0.16 -2.47 0.00 0.00 174.74 174.35 1wfm s ASP 41 N 2.20 4.30 0.00 9.88 -4.77 -1.26 -4.61 116.67 122.42 1wfm s ASP 41 Ca 0.16 0.76 0.00 0.00 -3.30 0.00 0.00 52.55 50.17 1wfm s ASP 41 Cb -0.02 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.29 1wfm s ASP 41 CO -0.15 -3.15 0.00 0.61 0.70 0.00 0.00 175.17 173.18 1wfm n GLY 42 N 6.23 0.17 3.12 2.12 0.00 -1.26 -5.01 105.19 110.56 1wfm n GLY 42 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1wfm n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfm n GLY 43 N 3.57 1.75 3.16 -0.02 0.00 -1.26 -4.98 105.19 107.41 1wfm n GLY 43 Ca 0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.68 6.57 -0.08 0.00 1.01 -1.26 -3.92 116.67 117.31 1wfm s ASP 45 Ca 0.47 0.31 -0.14 0.00 0.71 0.00 0.00 52.55 53.90 1wfm s ASP 45 Cb -0.06 -2.51 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 1wfm s ASP 45 CO 0.59 -1.19 0.35 0.00 0.21 0.00 0.00 175.17 175.13 1wfm s TYR 47 N -0.36 0.31 0.33 0.00 1.13 -1.11 -2.67 117.35 114.98 1wfm s TYR 47 Ca 0.21 -0.67 -0.05 0.00 -1.41 0.00 0.00 57.07 55.15 1wfm s TYR 47 Cb -0.15 -0.23 -0.05 0.00 -1.10 0.00 0.00 41.96 40.43 1wfm s TYR 47 CO 0.09 -0.30 0.60 0.08 -2.51 0.00 0.00 175.55 173.51 1wfm s VAL 48 N -2.51 4.99 -0.17 -3.49 1.01 -1.26 -3.10 120.40 115.87 1wfm s VAL 48 Ca -0.06 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 1wfm s VAL 48 Cb -0.02 -3.76 0.06 0.00 0.00 0.00 0.00 36.38 32.66 1wfm s VAL 48 CO -0.05 -0.42 0.39 -1.58 0.00 0.00 0.00 175.10 173.45 1wfm s GLN 49 N -3.77 0.36 -0.25 2.72 0.74 -0.51 -2.58 119.66 116.36 1wfm s GLN 49 Ca 0.45 0.79 -0.04 0.00 0.05 0.00 0.00 55.36 56.61 1wfm s GLN 49 Cb -0.10 -0.00 0.01 0.00 1.10 0.00 0.00 33.01 34.02 1wfm s GLN 49 CO 0.32 -0.17 -0.02 0.20 -0.55 0.00 0.00 175.29 175.07 1wfm s GLY 50 N 1.52 1.66 -0.16 2.59 0.00 0.17 0.78 107.32 113.90 1wfm s GLY 50 Ca -0.09 -1.38 -0.04 0.00 0.00 0.00 0.00 44.72 43.21 1wfm s GLY 50 CO -0.12 0.53 -0.02 -1.35 0.00 0.00 0.00 173.10 172.14 1wfm s SER 51 N 1.41 4.99 0.19 1.64 1.04 0.35 -0.43 113.70 122.89 1wfm s SER 51 Ca 0.02 -0.07 0.11 0.00 0.48 0.00 0.00 55.95 56.49 1wfm s SER 51 Cb -0.16 -1.80 -0.04 0.00 0.10 0.00 0.00 66.02 64.12 1wfm s SER 51 CO -0.02 0.18 -0.22 -0.69 0.98 0.00 0.00 173.24 173.47 1wfm s VAL 52 N 0.29 2.48 -0.15 5.02 1.01 -0.89 0.21 120.40 128.36 1wfm s VAL 52 Ca -0.02 -1.95 -0.03 0.00 0.00 0.00 0.00 61.98 59.98 1wfm s VAL 52 Cb -0.14 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 34.11 1wfm s VAL 52 CO 0.02 -0.10 0.05 0.00 0.00 0.00 0.00 175.10 175.07 1wfm s ALA 53 N -1.63 0.71 0.30 5.51 0.00 0.03 -0.08 121.76 126.60 1wfm s ALA 53 Ca 0.21 -0.41 0.09 0.00 0.00 0.00 0.00 51.96 51.85 1wfm s ALA 53 Cb -0.08 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 1wfm s ALA 53 CO 0.10 -1.00 0.01 0.54 0.00 0.00 0.00 175.76 175.42 1wfm s ASN 54 N 1.99 4.39 0.54 0.00 2.20 0.29 -2.09 114.94 122.25 1wfm s ASN 54 Ca 0.01 -0.80 0.30 0.00 -0.94 0.00 0.00 52.86 51.43 1wfm s ASN 54 Cb -0.16 -0.69 1.63 0.00 -2.00 0.00 0.00 41.25 40.03 1wfm s ASN 54 CO -0.07 -0.12 1.90 0.03 -2.94 0.00 0.00 177.10 175.89 1wfm h ARG 55 N 1.83 0.00 0.00 3.55 3.08 -1.89 0.57 114.38 121.51 1wfm h ARG 55 Ca -0.43 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.45 1wfm h ARG 55 Cb 1.25 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 1wfm h ARG 55 CO 0.63 0.00 -1.11 1.79 -1.07 0.00 0.00 179.97 180.20 1wfm h THR 56 N 0.00 0.79 0.00 2.04 1.35 -1.94 -3.50 112.91 111.66 1wfm h THR 56 Ca 0.00 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.55 1wfm h THR 56 Cb 0.32 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 1wfm h THR 56 CO 0.00 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 1wfm n GLY 57 N 1.35 -0.54 3.41 5.82 0.00 0.20 -5.16 105.19 110.27 1wfm n GLY 57 Ca -0.06 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.23 0.34 1.61 1.04 -1.26 0.10 113.70 111.30 1wfm s SER 58 Ca 0.00 -0.43 0.06 0.00 0.48 0.00 0.00 55.95 56.06 1wfm s SER 58 Cb 0.00 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 1wfm s SER 58 CO 0.00 -0.94 0.22 0.68 0.98 0.00 0.00 173.24 174.18 1wfm s VAL 59 N -3.85 0.18 -0.28 5.02 -7.23 0.89 -4.95 120.40 110.17 1wfm s VAL 59 Ca 0.07 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.08 1wfm s VAL 59 Cb 0.01 -2.46 0.10 0.00 0.56 0.00 0.00 36.38 34.59 1wfm s VAL 59 CO -0.07 0.00 0.75 -1.61 -0.31 0.00 0.00 175.10 173.86 1wfm s GLU 60 N -3.59 0.63 0.18 4.82 2.02 -1.26 -2.11 118.70 119.40 1wfm s GLU 60 Ca 0.36 1.12 0.03 0.00 0.02 0.00 0.00 54.97 56.49 1wfm s GLU 60 Cb 0.03 0.17 -0.05 0.00 0.10 0.00 0.00 34.13 34.38 1wfm s GLU 60 CO 0.22 -0.14 -0.02 0.00 0.02 0.00 0.00 175.26 175.35 1wfm s ALA 61 N 1.65 1.49 0.27 5.21 0.00 0.43 -4.96 121.76 125.85 1wfm s ALA 61 Ca -0.10 -1.62 -0.20 0.00 0.00 0.00 0.00 51.96 50.04 1wfm s ALA 61 Cb -0.05 0.44 0.05 0.00 0.00 0.00 0.00 23.12 23.56 1wfm s ALA 61 CO -0.19 -0.26 0.86 1.14 0.00 0.00 0.00 175.76 177.31 1wfm s GLN 62 N -3.87 1.73 0.30 0.00 1.03 -1.26 0.46 119.66 118.05 1wfm s GLN 62 Ca 0.24 -1.05 0.03 0.00 0.04 0.00 0.00 55.36 54.62 1wfm s GLN 62 Cb 0.05 0.53 0.03 0.00 0.03 0.00 0.00 33.01 33.64 1wfm s GLN 62 CO 0.04 -0.80 0.22 0.25 -2.54 0.00 0.00 175.29 172.46 1wfm n THR 63 N -0.54 0.00 -2.81 3.63 -2.24 -1.06 -4.81 114.28 106.45 1wfm n THR 63 Ca -0.06 -1.22 -0.41 0.00 -2.27 0.00 0.00 64.05 60.09 1wfm n THR 63 Cb 0.60 -0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 1wfm n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfm s ALA 64 N -2.44 3.25 0.55 6.98 0.00 -1.26 -4.79 121.76 124.05 1wfm s ALA 64 Ca 0.16 0.45 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 1wfm s ALA 64 Cb -0.01 -3.20 -0.14 0.00 0.00 0.00 0.00 23.12 19.76 1wfm s ALA 64 CO 0.10 -0.08 -0.10 1.28 0.00 0.00 0.00 175.76 176.96 1wfm n LEU 65 N 3.27 -3.36 0.00 0.00 7.99 -1.26 -4.91 117.00 118.72 1wfm n LEU 65 Ca 0.02 0.63 -0.17 0.00 -0.01 0.00 0.00 56.01 56.48 1wfm n LEU 65 Cb 0.50 -0.88 -0.06 0.00 -0.11 0.00 0.00 43.42 42.87 1wfm n LEU 65 CO 0.50 -4.70 -0.09 0.29 -1.51 0.00 0.00 177.39 171.89 1wfm n LYS 66 N 1.40 0.38 -3.61 3.23 4.76 -1.09 -5.00 118.16 118.24 1wfm n LYS 66 Ca 0.08 -2.81 -0.39 0.00 -2.87 0.00 0.00 58.31 52.32 1wfm n LYS 66 Cb 0.48 2.19 -0.11 0.00 -1.84 0.00 0.00 35.03 35.74 1wfm n LYS 66 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1wfm s LYS 67 N -3.16 3.37 -0.22 1.97 2.20 -1.26 -3.09 119.74 119.55 1wfm s LYS 67 Ca 0.31 -0.71 -0.42 0.00 -0.36 0.00 0.00 55.97 54.79 1wfm s LYS 67 Cb 0.02 -3.66 -0.19 0.00 -1.51 0.00 0.00 37.83 32.49 1wfm s LYS 67 CO 0.22 -0.44 1.44 -2.13 -0.36 0.00 0.00 175.35 174.08 1wfm n ARG 68 N 5.03 0.42 -4.25 4.03 0.63 -1.25 -4.86 116.66 116.41 1wfm n ARG 68 Ca -0.13 0.15 -0.16 0.00 -0.92 0.00 0.00 57.85 56.79 1wfm n ARG 68 Cb 0.49 -1.72 -0.09 0.00 0.45 0.00 0.00 32.46 31.60 1wfm n ARG 68 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1wfm s GLN 69 N 1.88 1.53 0.00 -0.14 -1.52 -1.26 -4.86 119.66 115.28 1wfm s GLN 69 Ca 0.96 -1.86 0.20 0.00 -1.95 0.00 0.00 55.36 52.72 1wfm s GLN 69 Cb -1.26 0.30 0.99 0.00 -0.22 0.00 0.00 33.01 32.83 1wfm s GLN 69 CO 0.66 -0.54 1.62 1.28 -0.25 0.00 0.00 175.29 178.06 1wfm n LEU 70 N -0.48 0.00 -2.68 2.90 7.99 -1.26 -4.13 117.00 119.34 1wfm n LEU 70 Ca 0.05 0.30 -0.04 0.00 -0.01 0.00 0.00 56.01 56.31 1wfm n LEU 70 Cb 0.64 -0.30 0.05 0.00 -0.11 0.00 0.00 43.42 43.70 1wfm n LEU 70 CO 0.32 -0.10 0.47 1.57 -1.51 0.00 0.00 177.39 178.14 1wfm n HIS 71 N -1.30 -1.17 -2.44 -1.77 -0.00 -1.26 -4.58 115.22 102.71 1wfm n HIS 71 Ca 0.09 -0.84 -0.38 0.00 0.46 0.00 0.00 57.72 57.05 1wfm n HIS 71 Cb 0.16 1.17 -0.03 0.00 -0.12 0.00 0.00 29.99 31.17 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 0.60 3.45 0.04 3.57 2.01 -1.14 -4.91 115.64 119.26 1wfm s THR 72 Ca 0.26 1.26 0.02 0.00 0.31 0.00 0.00 61.69 63.54 1wfm s THR 72 Cb 0.16 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 1wfm s THR 72 CO -0.11 0.16 -0.07 0.42 -0.69 0.00 0.00 174.62 174.33 1wfm s THR 73 N -1.40 0.52 0.37 -0.82 -4.23 -1.26 -2.20 115.64 106.62 1wfm s THR 73 Ca 0.53 -0.97 0.08 0.00 -1.18 0.00 0.00 61.69 60.15 1wfm s THR 73 Cb -0.28 -0.57 -0.05 0.00 1.34 0.00 0.00 72.50 72.93 1wfm s THR 73 CO 0.36 -0.32 0.11 0.26 -0.54 0.00 0.00 174.62 174.49 1wfm s TRP 74 N -1.21 2.60 -0.26 3.99 0.51 -1.05 -5.04 118.94 118.48 1wfm s TRP 74 Ca -0.08 -0.50 0.00 0.00 -2.12 0.00 0.00 56.10 53.40 1wfm s TRP 74 Cb -0.09 -1.72 -0.17 0.00 -0.81 0.00 0.00 33.47 30.68 1wfm s TRP 74 CO 0.00 0.33 -0.22 -1.91 -0.51 0.00 0.00 176.95 174.64 1wfm n GLU 75 N -1.11 0.65 -2.83 4.98 2.13 -1.26 -4.71 120.64 118.49 1wfm n GLU 75 Ca -0.03 0.16 -0.19 0.00 0.66 0.00 0.00 57.16 57.76 1wfm n GLU 75 Cb 0.63 -1.52 0.03 0.00 0.27 0.00 0.00 31.44 30.85 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 -2.52 2.58 0.26 5.31 -1.05 -1.26 -4.96 118.70 117.06 1wfm s GLU 76 Ca -0.35 -1.08 0.08 0.00 -0.15 0.00 0.00 54.97 53.46 1wfm s GLU 76 Cb 0.09 -2.61 -0.05 0.00 -0.44 0.00 0.00 34.13 31.12 1wfm s GLU 76 CO 0.60 -0.59 -0.10 0.20 0.95 0.00 0.00 175.26 176.31 1wfm s GLY 77 N -4.44 1.72 0.81 -3.83 0.00 -1.26 -4.77 107.32 95.55 1wfm s GLY 77 Ca 0.57 -1.83 -0.11 0.00 0.00 0.00 0.00 44.72 43.35 1wfm s GLY 77 CO 0.37 -1.84 1.09 1.08 0.00 0.00 0.00 173.10 173.80 1wfm s LEU 78 N -3.42 2.66 -0.21 0.66 1.43 -1.11 -4.82 118.68 113.89 1wfm s LEU 78 Ca 0.27 1.54 -0.04 0.00 -1.03 0.00 0.00 54.13 54.87 1wfm s LEU 78 Cb 0.01 -4.14 0.10 0.00 0.03 0.00 0.00 46.19 42.19 1wfm s LEU 78 CO 0.11 -2.13 0.35 -0.69 0.23 0.00 0.00 176.35 174.21 1wfm s VAL 79 N -3.00 -0.55 -0.06 -1.59 1.01 -1.25 -2.23 120.40 112.73 1wfm s VAL 79 Ca 0.61 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.71 1wfm s VAL 79 Cb -0.16 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1wfm s VAL 79 CO 0.56 -0.03 -0.24 -0.76 0.00 0.00 0.00 175.10 174.62 1wfm s LEU 80 N 2.52 2.13 -0.10 3.92 2.01 0.23 -4.72 118.68 124.67 1wfm s LEU 80 Ca 0.06 -0.49 -0.30 0.00 0.01 0.00 0.00 54.13 53.42 1wfm s LEU 80 Cb -0.14 -1.39 -0.03 0.00 0.01 0.00 0.00 46.19 44.65 1wfm s LEU 80 CO -0.13 0.25 1.24 -2.16 1.01 0.00 0.00 176.35 176.56 1wfm s PRO 81 N -0.20 4.30 -0.20 1.29 0.04 -1.26 0.29 135.00 139.26 1wfm s PRO 81 Ca -0.02 1.69 -0.14 0.00 0.04 0.00 0.00 61.00 62.57 1wfm s PRO 81 Cb -0.13 -3.65 0.06 0.00 0.04 0.00 0.00 34.50 30.82 1wfm s PRO 81 CO 0.03 -0.57 0.50 -1.17 0.04 0.00 0.00 177.00 175.84 1wfm s LEU 82 N 2.77 -0.20 0.37 -3.56 1.98 -0.43 -4.85 118.68 114.76 1wfm s LEU 82 Ca 0.56 1.06 -0.16 0.00 -2.89 0.00 0.00 54.13 52.70 1wfm s LEU 82 Cb -0.24 1.70 -0.09 0.00 0.66 0.00 0.00 46.19 48.22 1wfm s LEU 82 CO 0.19 -0.20 0.81 0.00 -1.89 0.00 0.00 176.35 175.27 1wfm s ALA 83 N 1.01 3.23 0.09 5.97 0.00 -1.26 -3.55 121.76 127.25 1wfm s ALA 83 Ca -0.06 0.13 0.33 0.00 0.00 0.00 0.00 51.96 52.37 1wfm s ALA 83 Cb -0.06 -2.89 1.51 0.00 0.00 0.00 0.00 23.12 21.68 1wfm s ALA 83 CO -0.09 0.22 1.99 1.49 0.00 0.00 0.00 175.76 179.38 1wfm h GLU 84 N 2.01 0.00 -0.00 0.00 4.81 -1.93 -0.16 114.58 119.30 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 0.64 0.00 -0.16 -0.85 -0.73 0.00 0.00 179.01 177.91 1wfm n GLU 85 N -2.87 0.59 0.00 1.92 0.28 -1.26 -3.37 120.64 115.93 1wfm n GLU 85 Ca -0.00 -0.23 0.02 0.00 -0.16 0.00 0.00 57.16 56.79 1wfm n GLU 85 Cb 0.22 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.58 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 -1.00 4.52 -0.34 3.44 1.02 -0.19 -4.64 120.64 123.45 1wfm n GLU 86 Ca 0.13 -0.15 0.04 0.00 -0.02 0.00 0.00 57.16 57.15 1wfm n GLU 86 Cb 0.30 -0.75 0.11 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 0.17 -0.99 -0.63 -4.62 3.38 -1.26 1.97 115.31 113.33 1wfm h LEU 87 Ca 0.00 0.29 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 1wfm h LEU 87 Cb 0.10 0.62 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1wfm h LEU 87 CO 0.00 -0.31 -0.38 1.55 0.09 0.00 0.00 178.44 179.39 1wfm h PRO 88 N -0.01 0.00 -0.81 1.13 0.13 -1.82 -2.96 132.00 127.66 1wfm h PRO 88 Ca 0.43 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 65.21 1wfm h PRO 88 Cb 0.67 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.59 1wfm h PRO 88 CO -0.97 0.38 0.41 0.25 -0.23 0.00 0.00 178.00 177.84 1wfm n THR 89 N -3.38 3.01 -3.91 1.56 -2.24 0.55 -4.87 114.28 105.00 1wfm n THR 89 Ca 0.01 -1.88 -0.10 0.00 -2.27 0.00 0.00 64.05 59.81 1wfm n THR 89 Cb 0.57 -0.40 -0.09 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 -3.16 -0.13 0.04 6.98 0.00 0.51 -3.21 121.76 122.79 1wfm s ALA 90 Ca 0.55 -0.48 -0.05 0.00 0.00 0.00 0.00 51.96 51.98 1wfm s ALA 90 Cb 0.45 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 1wfm s ALA 90 CO 0.11 -0.32 0.10 0.99 0.00 0.00 0.00 175.76 176.64 1wfm s THR 91 N -2.52 0.14 0.13 0.00 2.01 -0.89 -3.58 115.64 110.94 1wfm s THR 91 Ca -0.06 -1.15 0.08 0.00 0.31 0.00 0.00 61.69 60.87 1wfm s THR 91 Cb -0.02 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1wfm s THR 91 CO -0.04 -0.64 -0.11 -0.22 -0.69 0.00 0.00 174.62 172.92 1wfm s LEU 92 N -2.25 2.96 -0.21 4.42 2.96 -0.93 -0.79 118.68 124.84 1wfm s LEU 92 Ca -0.03 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 1wfm s LEU 92 Cb 0.00 -1.72 0.10 0.00 0.50 0.00 0.00 46.19 45.06 1wfm s LEU 92 CO -0.06 0.15 0.22 -0.89 -1.32 0.00 0.00 176.35 174.46 1wfm s THR 93 N -1.36 -0.31 0.35 3.68 2.01 0.55 -0.29 115.64 120.27 1wfm s THR 93 Ca 0.22 -0.16 -0.25 0.00 0.31 0.00 0.00 61.69 61.81 1wfm s THR 93 Cb -0.10 -0.70 -0.09 0.00 0.01 0.00 0.00 72.50 71.61 1wfm s THR 93 CO 0.14 -0.24 1.00 -0.76 -0.69 0.00 0.00 174.62 174.07 1wfm s LEU 94 N 2.32 4.26 -0.10 4.42 1.43 0.25 -0.50 118.68 130.76 1wfm s LEU 94 Ca 0.07 1.95 -0.04 0.00 -1.03 0.00 0.00 54.13 55.08 1wfm s LEU 94 Cb -0.16 -4.07 0.05 0.00 0.03 0.00 0.00 46.19 42.04 1wfm s LEU 94 CO -0.14 -0.26 0.21 -0.89 0.23 0.00 0.00 176.35 175.50 1wfm s THR 95 N -1.61 -0.23 -0.50 5.49 2.01 0.23 0.18 115.64 121.21 1wfm s THR 95 Ca 0.53 0.25 -0.13 0.00 0.31 0.00 0.00 61.69 62.66 1wfm s THR 95 Cb -0.21 -0.36 0.12 0.00 0.01 0.00 0.00 72.50 72.06 1wfm s THR 95 CO 0.26 0.11 0.42 -0.22 -0.69 0.00 0.00 174.62 174.50 1wfm s LEU 96 N 1.91 5.92 0.22 4.42 0.20 0.46 -1.43 118.68 130.38 1wfm s LEU 96 Ca -0.03 -1.80 0.06 0.00 0.69 0.00 0.00 54.13 53.06 1wfm s LEU 96 Cb -0.12 -2.12 -0.04 0.00 -0.43 0.00 0.00 46.19 43.49 1wfm s LEU 96 CO -0.07 -0.77 0.21 -0.13 -0.29 0.00 0.00 176.35 175.30 1wfm s ARG 97 N 1.50 3.03 -0.11 1.98 0.52 -1.18 0.12 118.95 124.83 1wfm s ARG 97 Ca 0.04 -0.93 -0.03 0.00 -0.52 0.00 0.00 55.73 54.29 1wfm s ARG 97 Cb -0.28 -2.66 -0.03 0.00 0.52 0.00 0.00 34.95 32.50 1wfm s ARG 97 CO 0.02 0.43 -0.00 0.95 0.02 0.00 0.00 175.30 176.72 1wfm s THR 98 N -1.99 4.28 -0.36 0.02 -4.23 -1.26 -2.75 115.64 109.34 1wfm s THR 98 Ca 0.33 -0.25 -0.42 0.00 -1.18 0.00 0.00 61.69 60.17 1wfm s THR 98 Cb -0.09 -2.82 -0.17 0.00 1.34 0.00 0.00 72.50 70.76 1wfm s THR 98 CO 0.25 0.57 1.79 0.00 -0.54 0.00 0.00 174.62 176.70 1wfm s ASP 100 N 4.00 -0.30 0.19 0.00 2.15 -1.26 -4.71 116.67 116.74 1wfm s ASP 100 Ca 1.03 -0.42 -0.20 0.00 0.43 0.00 0.00 52.55 53.39 1wfm s ASP 100 Cb -1.20 0.63 0.12 0.00 -0.30 0.00 0.00 42.92 42.17 1wfm s ASP 100 CO 0.68 -1.13 1.41 0.54 -0.17 0.00 0.00 175.17 176.50 1wfm n ARG 101 N -0.43 -0.28 -3.16 4.34 1.74 -1.26 -4.24 116.66 113.37 1wfm n ARG 101 Ca -0.07 1.39 0.03 0.00 -0.77 0.00 0.00 57.85 58.44 1wfm n ARG 101 Cb 0.61 -2.06 -0.00 0.00 -1.02 0.00 0.00 32.46 29.98 1wfm n ARG 101 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1wfm s PHE 102 N -5.72 -1.84 -0.58 -1.55 -0.71 -1.26 -5.03 117.98 101.28 1wfm s PHE 102 Ca -0.12 0.95 -0.04 0.00 -1.04 0.00 0.00 56.93 56.68 1wfm s PHE 102 Cb 0.16 0.32 -0.06 0.00 -1.21 0.00 0.00 43.02 42.23 1wfm s PHE 102 CO 0.62 -1.10 1.88 -1.13 -1.34 0.00 0.00 175.22 174.15 1wfm n SER 103 N 5.26 3.59 -2.80 1.98 3.41 -1.26 -4.42 113.62 119.38 1wfm n SER 103 Ca 0.06 -2.19 -0.27 0.00 -0.26 0.00 0.00 58.87 56.21 1wfm n SER 103 Cb 0.54 -0.90 -0.03 0.00 -0.26 0.00 0.00 64.21 63.57 1wfm n SER 103 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1wfm n ARG 104 N 4.04 3.32 0.00 4.33 1.85 -1.26 -4.62 116.66 124.33 1wfm n ARG 104 Ca 0.32 -4.75 0.00 0.00 -1.00 0.00 0.00 57.85 52.42 1wfm n ARG 104 Cb 0.17 -2.25 0.00 0.00 -1.05 0.00 0.00 32.46 29.33 1wfm n ARG 104 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 1wfm n HIS 105 N -0.32 0.00 -4.45 2.89 1.44 -1.26 -5.14 115.22 108.37 1wfm n HIS 105 Ca 0.34 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.80 1wfm n HIS 105 Cb 0.47 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.48 1wfm n HIS 105 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1wfm s SER 106 N -0.91 3.58 -0.10 4.39 0.01 -1.26 -4.92 113.70 114.49 1wfm s SER 106 Ca 0.00 -0.98 -0.07 0.00 1.31 0.00 0.00 55.95 56.22 1wfm s SER 106 Cb 0.00 -0.31 0.04 0.00 0.21 0.00 0.00 66.02 65.96 1wfm s SER 106 CO 0.00 0.06 0.25 -0.69 0.41 0.00 0.00 173.24 173.27 1wfm s VAL 107 N -2.29 -0.02 0.22 3.43 1.01 -1.26 -4.89 120.40 116.60 1wfm s VAL 107 Ca 0.28 0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.31 1wfm s VAL 107 Cb -0.06 -0.37 0.03 0.00 0.00 0.00 0.00 36.38 35.99 1wfm s VAL 107 CO 0.14 0.04 1.63 0.00 0.00 0.00 0.00 175.10 176.91 1wfm h ALA 108 N 6.62 0.90 -0.90 5.51 0.00 0.63 -3.40 119.26 128.62 1wfm h ALA 108 Ca -0.35 -0.38 0.19 0.00 0.00 0.00 0.00 54.91 54.37 1wfm h ALA 108 Cb 1.17 -0.14 -0.27 0.00 0.00 0.00 0.00 17.79 18.55 1wfm h ALA 108 CO 0.37 0.62 0.45 0.20 0.00 0.00 0.00 179.25 180.88 1wfm s GLY 109 N -3.90 0.14 -0.14 0.00 0.00 -0.94 -4.73 107.32 97.73 1wfm s GLY 109 Ca -0.09 3.39 -0.00 0.00 0.00 0.00 0.00 44.72 48.02 1wfm s GLY 109 CO 0.83 3.04 -0.14 1.85 0.00 0.00 0.00 173.10 178.68 1wfm s GLU 110 N 1.82 3.30 0.13 2.90 2.12 -1.26 0.17 118.70 127.90 1wfm s GLU 110 Ca -0.04 -0.72 0.07 0.00 0.36 0.00 0.00 54.97 54.65 1wfm s GLU 110 Cb -0.03 -2.64 -0.04 0.00 0.26 0.00 0.00 34.13 31.68 1wfm s GLU 110 CO -0.15 0.11 -0.07 -1.17 -0.54 0.00 0.00 175.26 173.44 1wfm s LEU 111 N 0.60 3.11 -0.13 2.70 0.20 0.47 -0.11 118.68 125.51 1wfm s LEU 111 Ca -0.08 -0.42 0.02 0.00 0.69 0.00 0.00 54.13 54.34 1wfm s LEU 111 Cb -0.16 -1.85 0.00 0.00 -0.43 0.00 0.00 46.19 43.76 1wfm s LEU 111 CO 0.03 0.14 -0.20 -0.60 -0.29 0.00 0.00 176.35 175.43 1wfm s ARG 112 N -2.50 3.10 0.34 1.98 6.06 -1.26 0.85 118.95 127.53 1wfm s ARG 112 Ca 0.24 -0.82 0.03 0.00 -2.50 0.00 0.00 55.73 52.68 1wfm s ARG 112 Cb -0.10 -2.46 -0.05 0.00 0.06 0.00 0.00 34.95 32.40 1wfm s ARG 112 CO 0.15 0.05 0.09 -0.51 -2.50 0.00 0.00 175.30 172.59 1wfm s LEU 113 N 0.68 2.00 0.01 -0.88 1.43 0.60 -4.97 118.68 117.56 1wfm s LEU 113 Ca -0.09 -1.49 0.03 0.00 -1.03 0.00 0.00 54.13 51.55 1wfm s LEU 113 Cb -0.16 -0.20 -0.01 0.00 0.03 0.00 0.00 46.19 45.85 1wfm s LEU 113 CO 0.01 -0.75 -0.10 -0.83 0.23 0.00 0.00 176.35 174.91 1wfm s GLY 114 N -3.50 0.54 -0.30 -3.19 0.00 -1.26 -2.18 107.32 97.43 1wfm s GLY 114 Ca 0.32 -0.55 0.11 0.00 0.00 0.00 0.00 44.72 44.60 1wfm s GLY 114 CO 0.15 -0.52 1.69 1.04 0.00 0.00 0.00 173.10 175.46 1wfm n LEU 115 N 2.41 5.39 -0.59 0.66 4.77 -1.23 -4.16 117.00 124.24 1wfm n LEU 115 Ca -0.16 -3.28 0.11 0.00 -0.03 0.00 0.00 56.01 52.65 1wfm n LEU 115 Cb 0.56 -0.69 0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1wfm n LEU 115 CO 0.24 0.86 0.37 -0.90 -1.33 0.00 0.00 177.39 176.62 1wfm n ASP 116 N -0.41 2.22 -0.65 -1.43 5.75 -1.18 -4.06 116.55 116.80 1wfm n ASP 116 Ca 0.37 -1.61 -0.05 0.00 -0.01 0.00 0.00 54.79 53.49 1wfm n ASP 116 Cb 1.25 0.39 0.00 0.00 -1.03 0.00 0.00 41.12 41.73 1wfm n ASP 116 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wfm n GLY 117 N 1.41 0.29 0.00 6.12 0.00 -1.26 -4.88 105.19 106.87 1wfm n GLY 117 Ca 0.10 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.79 0.00 -0.38 2.61 -1.04 -1.26 -4.74 114.28 105.68 1wfm n THR 118 Ca -0.04 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.89 1wfm n THR 118 Cb 0.53 -0.51 -0.06 0.00 -1.82 0.00 0.00 70.33 68.47 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 -0.71 -0.90 -3.99 8.00 7.64 -1.26 -4.40 113.62 117.99 1wfm n SER 119 Ca 0.00 1.65 -0.19 0.00 1.01 0.00 0.00 58.87 61.34 1wfm n SER 119 Cb 0.00 -0.25 -0.15 0.00 -1.01 0.00 0.00 64.21 62.80 1wfm n SER 119 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1wfm s VAL 120 N -5.56 0.67 0.95 0.44 -7.23 -1.26 -5.02 120.40 103.39 1wfm s VAL 120 Ca -0.12 -0.32 -0.14 0.00 -1.81 0.00 0.00 61.98 59.60 1wfm s VAL 120 Cb 0.12 -0.60 0.17 0.00 0.56 0.00 0.00 36.38 36.63 1wfm s VAL 120 CO 0.60 0.21 1.16 -2.16 -0.31 0.00 0.00 175.10 174.60 1wfm s PRO 121 N 0.09 0.77 0.25 4.82 0.04 -1.26 -4.36 135.00 135.34 1wfm s PRO 121 Ca -0.01 0.15 -0.00 0.00 0.04 0.00 0.00 61.00 61.18 1wfm s PRO 121 Cb -0.07 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1wfm s PRO 121 CO 0.00 -2.42 0.44 -0.51 0.04 0.00 0.00 177.00 174.55 1wfm s LEU 122 N -6.13 4.17 -1.43 -3.56 1.43 -1.26 -4.18 118.68 107.73 1wfm s LEU 122 Ca 0.66 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 1wfm s LEU 122 Cb -0.13 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.89 1wfm s LEU 122 CO 0.54 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.61 1wfm n GLY 123 N -1.02 0.42 2.89 -3.19 0.00 0.50 -4.91 105.19 99.89 1wfm n GLY 123 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1wfm n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfm s ALA 124 N -2.52 2.23 0.03 4.61 0.00 -1.25 -5.03 121.76 119.83 1wfm s ALA 124 Ca 0.00 -2.07 -0.30 0.00 0.00 0.00 0.00 51.96 49.59 1wfm s ALA 124 Cb 0.00 -1.78 -0.08 0.00 0.00 0.00 0.00 23.12 21.26 1wfm s ALA 124 CO 0.00 -1.64 1.85 0.00 0.00 0.00 0.00 175.76 175.96 1wfm s ALA 125 N 1.25 3.63 0.03 0.00 0.00 -1.26 -4.49 121.76 120.93 1wfm s ALA 125 Ca 0.09 1.25 0.01 0.00 0.00 0.00 0.00 51.96 53.31 1wfm s ALA 125 Cb -0.18 -3.80 -0.02 0.00 0.00 0.00 0.00 23.12 19.12 1wfm s ALA 125 CO -0.16 -1.43 -0.05 1.14 0.00 0.00 0.00 175.76 175.26 1wfm s GLN 126 N 3.91 0.43 -0.14 0.00 -2.07 -1.21 -5.04 119.66 115.55 1wfm s GLN 126 Ca 0.83 -0.74 -0.08 0.00 -1.82 0.00 0.00 55.36 53.54 1wfm s GLN 126 Cb -0.41 -0.04 -0.04 0.00 -1.09 0.00 0.00 33.01 31.43 1wfm s GLN 126 CO 0.37 -0.02 0.15 -1.58 -1.32 0.00 0.00 175.29 172.90 1wfm s TRP 127 N -1.70 3.54 -0.01 9.60 0.52 -1.26 -2.92 118.94 126.70 1wfm s TRP 127 Ca -0.11 0.49 0.03 0.00 0.02 0.00 0.00 56.10 56.53 1wfm s TRP 127 Cb -0.08 -2.04 -0.00 0.00 -1.15 0.00 0.00 33.47 30.20 1wfm s TRP 127 CO -0.01 0.58 -0.08 0.20 0.02 0.00 0.00 176.95 177.65 1wfm s GLY 128 N -0.56 0.43 0.09 0.98 0.00 -0.68 -5.00 107.32 102.59 1wfm s GLY 128 Ca 0.13 -0.34 -0.25 0.00 0.00 0.00 0.00 44.72 44.26 1wfm s GLY 128 CO 0.03 -0.23 0.76 -0.54 0.00 0.00 0.00 173.10 173.11 1wfm s GLU 129 N -0.08 4.51 0.09 2.90 8.01 -1.26 -0.09 118.70 132.78 1wfm s GLU 129 Ca 0.01 1.08 -0.31 0.00 0.01 0.00 0.00 54.97 55.77 1wfm s GLU 129 Cb -0.05 -3.32 -0.07 0.00 -4.31 0.00 0.00 34.13 26.39 1wfm s GLU 129 CO -0.00 0.41 1.31 -0.51 0.01 0.00 0.00 175.26 176.47 1wfm s LEU 130 N -0.51 4.37 -0.00 1.80 1.43 0.80 -4.80 118.68 121.76 1wfm s LEU 130 Ca 0.37 2.19 0.15 0.00 -1.03 0.00 0.00 54.13 55.81 1wfm s LEU 130 Cb -0.21 -3.58 0.44 0.00 0.03 0.00 0.00 46.19 42.86 1wfm s LEU 130 CO 0.24 -0.57 1.36 0.29 0.23 0.00 0.00 176.35 177.90 1wfm n LYS 131 N 3.96 2.18 0.00 1.70 4.76 0.84 -4.65 118.16 126.95 1wfm n LYS 131 Ca 0.10 -1.78 0.00 0.00 -2.87 0.00 0.00 58.31 53.76 1wfm n LYS 131 Cb 0.44 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 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 0.93 0.00 -3.15 -0.18 -2.24 -1.18 -4.73 114.28 103.74 1wfm n THR 132 Ca 0.17 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.00 1wfm n THR 132 Cb 0.43 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.64 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 -4.00 -0.62 0.00 3.42 0.15 -1.26 -4.11 113.70 107.28 1wfm s SER 133 Ca 0.00 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.02 1wfm s SER 133 Cb 0.00 1.52 0.00 0.00 -1.71 0.00 0.00 66.02 65.83 1wfm s SER 133 CO 0.00 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1wfm n GLY 134 N 5.45 -0.08 2.98 9.45 0.00 -1.26 -4.20 105.19 117.53 1wfm n GLY 134 Ca -0.05 -1.44 -0.24 0.00 0.00 0.00 0.00 46.02 44.29 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 0.91 -1.89 -2.31 1.61 -0.04 -1.26 -4.45 135.00 127.57 1wfm n PRO 135 Ca 0.00 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 1wfm n PRO 135 Cb 0.00 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 -4.10 -9.45 -3.47 3.54 2.88 -1.26 -4.75 113.62 97.01 1wfm n SER 136 Ca 0.13 1.80 -0.11 0.00 -1.33 0.00 0.00 58.87 59.36 1wfm n SER 136 Cb 0.47 -5.15 -0.02 0.00 -0.75 0.00 0.00 64.21 58.76 1wfm n SER 136 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wfm s SER 137 N -0.58 -0.50 0.00 -3.46 1.04 -1.26 -4.80 113.70 104.13 1wfm s SER 137 Ca 0.00 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1wfm s SER 137 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1wfm s SER 137 CO 0.00 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.89