#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 -0.54 0.41 1.61 0.15 -1.26 -5.18 113.70 108.89 1wfm s SER 2 Ca 0.00 0.28 0.07 0.00 0.70 0.00 0.00 55.95 57.00 1wfm s SER 2 Cb 0.00 0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 64.81 1wfm s SER 2 CO 0.00 -0.77 0.24 -0.44 1.20 0.00 0.00 173.24 173.47 1wfm s SER 3 N -1.99 4.61 0.30 5.45 0.01 -1.26 -5.03 113.70 115.80 1wfm s SER 3 Ca -0.05 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.23 1wfm s SER 3 Cb -0.01 -0.50 0.00 0.00 0.21 0.00 0.00 66.02 65.72 1wfm s SER 3 CO -0.02 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.66 1wfm n GLY 4 N -1.33 -1.73 3.18 3.44 0.00 -1.26 -5.14 105.19 102.35 1wfm n GLY 4 Ca 0.00 0.45 -0.39 0.00 0.00 0.00 0.00 46.02 46.08 1wfm n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfm n SER 5 N -3.20 -3.16 0.00 1.61 3.41 -1.26 -4.96 113.62 106.06 1wfm n SER 5 Ca 0.00 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 1wfm n SER 5 Cb 0.00 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 1wfm n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wfm n SER 6 N 2.35 0.00 0.00 4.04 2.88 -1.26 -5.17 113.62 116.46 1wfm n SER 6 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1wfm n SER 6 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1wfm n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfm n GLY 7 N -0.15 3.97 1.53 0.46 0.00 -1.26 -5.14 105.19 104.60 1wfm n GLY 7 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1wfm n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfm n SER 8 N 0.00 -5.72 -3.63 1.61 2.88 -1.26 -5.11 113.62 102.40 1wfm n SER 8 Ca 0.00 0.84 -0.06 0.00 -1.33 0.00 0.00 58.87 58.32 1wfm n SER 8 Cb 0.00 -3.11 -0.06 0.00 -0.75 0.00 0.00 64.21 60.30 1wfm n SER 8 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1wfm s TRP 9 N -0.29 -0.24 0.08 0.66 0.52 -1.26 -5.11 118.94 113.30 1wfm s TRP 9 Ca 0.00 0.51 0.00 0.00 0.02 0.00 0.00 56.10 56.63 1wfm s TRP 9 Cb 0.00 0.45 0.00 0.00 -1.15 0.00 0.00 33.47 32.77 1wfm s TRP 9 CO 0.00 -0.16 0.00 0.09 0.02 0.00 0.00 176.95 176.90 1wfm n ASN 10 N 1.27 -9.09 -1.38 2.95 3.02 -1.26 -4.91 115.26 105.86 1wfm n ASN 10 Ca -0.08 1.64 0.15 0.00 -0.03 0.00 0.00 54.58 56.25 1wfm n ASN 10 Cb 0.57 -5.00 -0.08 0.00 -0.61 0.00 0.00 39.78 34.66 1wfm n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wfm n GLN 11 N 1.78 -3.06 -4.43 3.52 6.02 -1.26 -4.96 117.38 114.98 1wfm n GLN 11 Ca 0.00 2.51 -0.26 0.00 -0.01 0.00 0.00 57.00 59.23 1wfm n GLN 11 Cb 0.00 -3.60 -0.11 0.00 1.02 0.00 0.00 30.24 27.55 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 -4.50 2.57 -0.01 -1.58 0.00 -1.26 -5.07 121.76 111.91 1wfm s ALA 12 Ca 0.00 -1.67 -0.30 0.00 0.00 0.00 0.00 51.96 49.99 1wfm s ALA 12 Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1wfm s ALA 12 CO 0.00 0.41 1.20 -1.25 0.00 0.00 0.00 175.76 176.12 1wfm s PRO 13 N -2.79 4.38 -0.04 0.00 0.04 -1.26 -4.85 135.00 130.48 1wfm s PRO 13 Ca 0.22 1.71 0.01 0.00 0.04 0.00 0.00 61.00 62.97 1wfm s PRO 13 Cb -0.08 -3.49 -0.03 0.00 0.04 0.00 0.00 34.50 30.95 1wfm s PRO 13 CO 0.11 -0.37 -0.03 0.15 0.04 0.00 0.00 177.00 176.89 1wfm s LYS 14 N 1.80 2.79 -0.09 4.56 1.02 -0.67 0.29 119.74 129.44 1wfm s LYS 14 Ca 0.57 -0.56 -0.02 0.00 0.02 0.00 0.00 55.97 55.99 1wfm s LYS 14 Cb -0.26 -2.65 0.03 0.00 -0.52 0.00 0.00 37.83 34.43 1wfm s LYS 14 CO 0.25 0.65 0.01 -1.17 -0.92 0.00 0.00 175.35 174.17 1wfm s LEU 15 N -1.14 0.66 0.03 3.17 2.96 -0.54 0.12 118.68 123.94 1wfm s LEU 15 Ca 0.15 -0.19 -0.20 0.00 -0.22 0.00 0.00 54.13 53.67 1wfm s LEU 15 Cb -0.11 -0.46 -0.06 0.00 0.50 0.00 0.00 46.19 46.06 1wfm s LEU 15 CO 0.05 -0.21 0.59 -2.28 -1.32 0.00 0.00 176.35 173.18 1wfm s HIS 16 N 1.96 3.74 0.03 5.38 5.65 0.98 -2.29 115.29 130.75 1wfm s HIS 16 Ca 0.04 1.24 -0.25 0.00 0.25 0.00 0.00 55.06 56.34 1wfm s HIS 16 Cb -0.13 -2.56 0.06 0.00 -1.18 0.00 0.00 32.58 28.77 1wfm s HIS 16 CO -0.06 0.46 0.58 1.52 -0.65 0.00 0.00 174.74 176.60 1wfm s TYR 17 N -0.62 -0.52 -0.33 3.88 1.13 -1.15 -2.41 117.35 117.33 1wfm s TYR 17 Ca 0.30 0.69 0.02 0.00 -1.41 0.00 0.00 57.07 56.67 1wfm s TYR 17 Cb -0.19 0.39 0.10 0.00 -1.10 0.00 0.00 41.96 41.16 1wfm s TYR 17 CO 0.18 -0.65 0.07 0.00 -2.51 0.00 0.00 175.55 172.64 1wfm s LEU 19 N 1.18 4.29 -0.17 0.00 2.01 -1.25 -1.38 118.68 123.36 1wfm s LEU 19 Ca 0.11 1.85 -0.08 0.00 0.01 0.00 0.00 54.13 56.02 1wfm s LEU 19 Cb -0.18 -3.56 0.07 0.00 0.01 0.00 0.00 46.19 42.52 1wfm s LEU 19 CO -0.15 -0.57 0.38 -0.62 1.01 0.00 0.00 176.35 176.40 1wfm s ASP 20 N 1.43 -0.32 -0.22 2.29 -1.08 0.56 0.19 116.67 119.53 1wfm s ASP 20 Ca 0.56 0.86 -0.06 0.00 -0.52 0.00 0.00 52.55 53.39 1wfm s ASP 20 Cb -0.25 0.91 -0.03 0.00 -1.46 0.00 0.00 42.92 42.09 1wfm s ASP 20 CO 0.23 -0.21 0.02 -0.47 0.52 0.00 0.00 175.17 175.27 1wfm s TYR 21 N 1.88 3.06 -0.92 -5.34 5.04 -1.26 0.96 117.35 120.76 1wfm s TYR 21 Ca -0.06 -0.46 -0.10 0.00 -2.44 0.00 0.00 57.07 54.01 1wfm s TYR 21 Cb -0.10 -2.14 0.24 0.00 0.35 0.00 0.00 41.96 40.31 1wfm s TYR 21 CO -0.12 -0.29 0.87 0.34 -1.34 0.00 0.00 175.55 175.01 1wfm s ASP 22 N 1.22 6.78 0.39 4.32 -1.08 -1.24 -4.88 116.67 122.19 1wfm s ASP 22 Ca 0.04 -3.14 0.24 0.00 -0.52 0.00 0.00 52.55 49.17 1wfm s ASP 22 Cb -0.15 -2.15 1.37 0.00 -1.46 0.00 0.00 42.92 40.53 1wfm s ASP 22 CO 0.02 -0.41 1.59 0.00 0.52 0.00 0.00 175.17 176.89 1wfm h GLN 24 N 0.04 0.28 0.00 0.00 4.20 -1.98 -1.32 115.11 116.33 1wfm h GLN 24 Ca 0.85 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.53 1wfm h GLN 24 Cb 2.38 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 30.10 1wfm h GLN 24 CO -0.64 0.18 -1.13 1.63 -0.67 0.00 0.00 178.83 178.20 1wfm n LYS 25 N -5.09 0.61 -2.77 1.46 5.02 0.64 -4.95 118.16 113.09 1wfm n LYS 25 Ca 0.07 0.10 -0.21 0.00 -2.02 0.00 0.00 58.31 56.25 1wfm n LYS 25 Cb 0.27 -1.80 0.02 0.00 -0.02 0.00 0.00 35.03 33.51 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 -2.20 -0.81 -3.71 7.82 0.00 0.74 -4.93 120.51 117.41 1wfm n ALA 26 Ca -0.01 0.24 -0.21 0.00 0.00 0.00 0.00 53.44 53.46 1wfm n ALA 26 Cb 0.57 -3.19 -0.18 0.00 0.00 0.00 0.00 19.45 16.65 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 -5.42 0.20 1.01 0.00 2.02 -1.24 -1.03 118.70 114.25 1wfm s GLU 27 Ca 0.19 0.25 -0.13 0.00 0.02 0.00 0.00 54.97 55.31 1wfm s GLU 27 Cb -0.08 -0.67 0.14 0.00 0.10 0.00 0.00 34.13 33.62 1wfm s GLU 27 CO 0.23 -0.30 0.74 -0.11 0.02 0.00 0.00 175.26 175.84 1wfm n LEU 28 N 5.13 0.45 -3.82 1.80 7.94 0.29 -3.60 117.00 125.20 1wfm n LEU 28 Ca -0.07 0.19 -0.12 0.00 -1.11 0.00 0.00 56.01 54.90 1wfm n LEU 28 Cb 0.50 -1.28 -0.12 0.00 0.53 0.00 0.00 43.42 43.05 1wfm n LEU 28 CO 0.09 -2.97 -0.19 -0.36 -1.11 0.00 0.00 177.39 172.86 1wfm s PHE 29 N -2.46 -0.17 -0.57 1.96 0.08 0.27 -1.67 117.98 115.42 1wfm s PHE 29 Ca 0.63 0.40 0.04 0.00 0.12 0.00 0.00 56.93 58.12 1wfm s PHE 29 Cb -0.21 0.06 0.16 0.00 -0.57 0.00 0.00 43.02 42.45 1wfm s PHE 29 CO 0.63 -0.09 0.38 0.08 -0.10 0.00 0.00 175.22 176.13 1wfm s VAL 30 N 0.03 2.02 0.71 -0.44 1.01 0.45 -0.33 120.40 123.86 1wfm s VAL 30 Ca -0.00 -3.48 0.01 0.00 0.00 0.00 0.00 61.98 58.50 1wfm s VAL 30 Cb -0.01 -2.36 0.13 0.00 0.00 0.00 0.00 36.38 34.14 1wfm s VAL 30 CO 0.00 -1.01 0.98 0.42 0.00 0.00 0.00 175.10 175.49 1wfm s THR 31 N -0.64 2.10 -1.03 3.92 -4.23 -0.48 -0.72 115.64 114.56 1wfm s THR 31 Ca 0.24 -0.65 -0.08 0.00 -1.18 0.00 0.00 61.69 60.01 1wfm s THR 31 Cb -0.09 -2.45 -0.05 0.00 1.34 0.00 0.00 72.50 71.25 1wfm s THR 31 CO -0.12 0.00 0.87 0.54 -0.54 0.00 0.00 174.62 175.37 1wfm n ARG 32 N -2.78 -1.92 -2.97 3.99 5.12 -1.26 0.18 116.66 117.02 1wfm n ARG 32 Ca 0.16 0.85 -0.41 0.00 -1.93 0.00 0.00 57.85 56.52 1wfm n ARG 32 Cb 0.61 -5.43 -0.05 0.00 -1.16 0.00 0.00 32.46 26.44 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 -5.45 4.19 -0.32 0.55 2.01 -1.26 -2.95 118.68 115.45 1wfm s LEU 33 Ca 0.41 1.09 0.05 0.00 0.01 0.00 0.00 54.13 55.69 1wfm s LEU 33 Cb -0.08 -3.13 0.18 0.00 0.01 0.00 0.00 46.19 43.18 1wfm s LEU 33 CO 0.77 -0.33 0.52 -1.61 1.01 0.00 0.00 176.35 176.72 1wfm s GLU 34 N 1.89 0.56 0.75 1.70 2.02 -1.01 -2.53 118.70 122.08 1wfm s GLU 34 Ca 0.36 0.17 -0.11 0.00 0.02 0.00 0.00 54.97 55.41 1wfm s GLU 34 Cb -0.17 -0.03 0.04 0.00 0.10 0.00 0.00 34.13 34.08 1wfm s GLU 34 CO 0.13 -1.08 1.09 0.00 0.02 0.00 0.00 175.26 175.41 1wfm s ALA 35 N 2.47 2.51 -0.44 5.21 0.00 -1.06 -0.01 121.76 130.44 1wfm s ALA 35 Ca 0.11 -0.16 0.06 0.00 0.00 0.00 0.00 51.96 51.97 1wfm s ALA 35 Cb -0.10 -3.11 0.20 0.00 0.00 0.00 0.00 23.12 20.11 1wfm s ALA 35 CO -0.23 -1.45 0.54 0.28 0.00 0.00 0.00 175.76 174.90 1wfm n VAL 36 N -3.25 -0.66 -3.28 0.00 0.31 0.31 -3.52 118.33 108.25 1wfm n VAL 36 Ca 0.07 -2.71 -0.21 0.00 -0.01 0.00 0.00 64.34 61.49 1wfm n VAL 36 Cb 0.56 -0.67 0.02 0.00 -0.91 0.00 0.00 33.84 32.84 1wfm n VAL 36 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1wfm s THR 37 N 0.07 2.29 -0.29 2.52 -4.23 -1.25 -1.66 115.64 113.09 1wfm s THR 37 Ca 0.33 -1.15 -0.02 0.00 -1.18 0.00 0.00 61.69 59.67 1wfm s THR 37 Cb 0.08 -2.44 0.10 0.00 1.34 0.00 0.00 72.50 71.58 1wfm s THR 37 CO -0.15 0.00 0.10 -0.55 -0.54 0.00 0.00 174.62 173.48 1wfm s SER 38 N -4.45 3.73 -0.01 3.99 0.15 -1.26 -4.60 113.70 111.25 1wfm s SER 38 Ca 0.53 -1.43 -0.29 0.00 0.70 0.00 0.00 55.95 55.47 1wfm s SER 38 Cb -0.05 -0.66 0.08 0.00 -1.71 0.00 0.00 66.02 63.67 1wfm s SER 38 CO 0.33 -0.41 0.72 0.21 1.20 0.00 0.00 173.24 175.29 1wfm s ASN 39 N 1.80 -0.57 0.18 5.45 3.84 -1.26 -5.14 114.94 119.24 1wfm s ASN 39 Ca 0.08 0.45 -0.07 0.00 0.21 0.00 0.00 52.86 53.54 1wfm s ASN 39 Cb -0.17 0.51 -0.02 0.00 -0.55 0.00 0.00 41.25 41.02 1wfm s ASN 39 CO -0.27 -0.65 0.24 -2.28 -2.79 0.00 0.00 177.10 171.35 1wfm s HIS 40 N -1.92 0.62 -0.16 0.43 5.65 -1.26 -4.86 115.29 113.79 1wfm s HIS 40 Ca -0.06 -0.96 -0.09 0.00 0.25 0.00 0.00 55.06 54.21 1wfm s HIS 40 Cb -0.00 -0.19 0.03 0.00 -1.18 0.00 0.00 32.58 31.24 1wfm s HIS 40 CO 0.02 -0.71 0.17 -3.47 -0.65 0.00 0.00 174.74 170.10 1wfm n ASP 41 N -0.23 -2.77 0.00 9.88 -0.08 -1.26 -5.01 116.55 117.08 1wfm n ASP 41 Ca -0.04 1.26 0.00 0.00 -1.51 0.00 0.00 54.79 54.50 1wfm n ASP 41 Cb 0.63 -4.47 0.00 0.00 2.34 0.00 0.00 41.12 39.63 1wfm n ASP 41 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wfm n GLY 42 N 1.75 1.19 3.58 0.27 0.00 -1.26 -5.09 105.19 105.64 1wfm n GLY 42 Ca -0.29 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1wfm n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wfm s GLY 43 N 0.00 1.19 -0.03 -0.02 0.00 -1.26 -4.99 107.32 102.21 1wfm s GLY 43 Ca 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 43.99 1wfm s GLY 43 CO 0.00 2.46 -0.09 0.00 0.00 0.00 0.00 173.10 175.47 1wfm s ASP 45 N 0.25 6.44 0.26 0.00 -1.08 -1.26 -3.73 116.67 117.54 1wfm s ASP 45 Ca -0.04 0.92 0.08 0.00 -0.52 0.00 0.00 52.55 52.98 1wfm s ASP 45 Cb -0.09 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.79 1wfm s ASP 45 CO 0.01 -1.33 0.15 0.00 0.52 0.00 0.00 175.17 174.51 1wfm s TYR 47 N -2.19 -0.27 0.23 0.00 -0.85 -1.03 -1.67 117.35 111.58 1wfm s TYR 47 Ca 0.33 -0.02 -0.10 0.00 -0.52 0.00 0.00 57.07 56.76 1wfm s TYR 47 Cb -0.07 0.31 -0.07 0.00 0.38 0.00 0.00 41.96 42.50 1wfm s TYR 47 CO 0.24 -0.72 0.55 0.08 -1.52 0.00 0.00 175.55 174.17 1wfm s VAL 48 N -3.75 4.93 -0.03 -3.49 1.01 -1.26 -2.63 120.40 115.17 1wfm s VAL 48 Ca 0.02 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1wfm s VAL 48 Cb 0.01 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.80 1wfm s VAL 48 CO -0.12 -0.07 -0.00 -1.58 0.00 0.00 0.00 175.10 173.33 1wfm s GLN 49 N -2.81 0.32 -0.21 2.72 0.74 0.12 -1.51 119.66 119.03 1wfm s GLN 49 Ca 0.47 0.07 0.00 0.00 0.05 0.00 0.00 55.36 55.96 1wfm s GLN 49 Cb -0.11 -0.49 0.02 0.00 1.10 0.00 0.00 33.01 33.53 1wfm s GLN 49 CO 0.21 -0.13 -0.15 0.20 -0.55 0.00 0.00 175.29 174.87 1wfm s GLY 50 N 1.01 1.49 -0.04 2.59 0.00 0.34 0.49 107.32 113.19 1wfm s GLY 50 Ca -0.10 -1.34 0.06 0.00 0.00 0.00 0.00 44.72 43.35 1wfm s GLY 50 CO -0.02 0.38 -0.23 -1.35 0.00 0.00 0.00 173.10 171.89 1wfm s SER 51 N 1.29 3.28 0.16 1.64 1.04 -0.86 0.76 113.70 121.01 1wfm s SER 51 Ca 0.02 -0.43 0.08 0.00 0.48 0.00 0.00 55.95 56.11 1wfm s SER 51 Cb -0.15 -0.64 -0.04 0.00 0.10 0.00 0.00 66.02 65.29 1wfm s SER 51 CO -0.09 0.30 -0.18 -0.69 0.98 0.00 0.00 173.24 173.55 1wfm s VAL 52 N -0.45 1.82 -0.31 5.02 1.01 -0.94 0.20 120.40 126.74 1wfm s VAL 52 Ca 0.05 -1.91 -0.03 0.00 0.00 0.00 0.00 61.98 60.09 1wfm s VAL 52 Cb -0.12 -1.84 0.11 0.00 0.00 0.00 0.00 36.38 34.53 1wfm s VAL 52 CO 0.01 -0.31 0.15 0.00 0.00 0.00 0.00 175.10 174.95 1wfm s ALA 53 N -2.03 0.73 0.25 5.51 0.00 -0.58 -0.27 121.76 125.35 1wfm s ALA 53 Ca 0.16 -1.31 0.07 0.00 0.00 0.00 0.00 51.96 50.88 1wfm s ALA 53 Cb -0.06 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 1wfm s ALA 53 CO 0.07 -1.77 0.17 -0.80 0.00 0.00 0.00 175.76 173.43 1wfm s ASN 54 N 1.82 5.42 0.66 0.00 0.01 0.38 -2.72 114.94 120.50 1wfm s ASN 54 Ca 0.11 -0.28 0.26 0.00 -0.71 0.00 0.00 52.86 52.24 1wfm s ASN 54 Cb -0.18 -1.35 1.42 0.00 0.41 0.00 0.00 41.25 41.56 1wfm s ASN 54 CO -0.27 -0.02 1.81 0.03 -1.51 0.00 0.00 177.10 177.13 1wfm h ARG 55 N 1.61 0.00 0.00 -0.60 3.08 -1.83 1.46 114.38 118.10 1wfm h ARG 55 Ca -0.48 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.45 1wfm h ARG 55 Cb 1.24 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 1wfm h ARG 55 CO 0.61 0.00 -0.57 1.79 -1.07 0.00 0.00 179.97 180.73 1wfm h THR 56 N 0.00 0.98 0.00 2.04 1.35 -1.93 -3.50 112.91 111.86 1wfm h THR 56 Ca 0.03 -2.37 0.00 0.00 -0.55 0.00 0.00 66.41 63.52 1wfm h THR 56 Cb 0.90 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 1wfm h THR 56 CO -0.00 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 1wfm n GLY 57 N 1.22 -0.28 3.10 5.82 0.00 0.50 -5.14 105.19 110.41 1wfm n GLY 57 Ca 0.02 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 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 0.82 0.33 1.61 1.04 -1.26 0.14 113.70 112.39 1wfm s SER 58 Ca 0.00 -0.82 0.05 0.00 0.48 0.00 0.00 55.95 55.65 1wfm s SER 58 Cb 0.00 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 1wfm s SER 58 CO 0.00 -0.40 0.20 0.68 0.98 0.00 0.00 173.24 174.70 1wfm s VAL 59 N -2.83 0.23 -0.22 5.02 -7.23 0.62 -4.97 120.40 111.02 1wfm s VAL 59 Ca 0.02 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.92 1wfm s VAL 59 Cb -0.00 -2.46 0.08 0.00 0.56 0.00 0.00 36.38 34.56 1wfm s VAL 59 CO -0.04 0.00 0.79 -1.61 -0.31 0.00 0.00 175.10 173.93 1wfm s GLU 60 N -3.66 0.80 0.27 4.82 2.02 -1.26 -2.22 118.70 119.47 1wfm s GLU 60 Ca 0.35 0.73 -0.13 0.00 0.02 0.00 0.00 54.97 55.94 1wfm s GLU 60 Cb 0.03 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.65 1wfm s GLU 60 CO 0.21 -0.14 0.52 0.00 0.02 0.00 0.00 175.26 175.86 1wfm s ALA 61 N -0.04 -0.27 0.29 5.21 0.00 0.23 -4.96 121.76 122.23 1wfm s ALA 61 Ca -0.02 -0.88 -0.20 0.00 0.00 0.00 0.00 51.96 50.87 1wfm s ALA 61 Cb -0.04 1.04 0.04 0.00 0.00 0.00 0.00 23.12 24.16 1wfm s ALA 61 CO 0.01 -0.87 0.79 1.14 0.00 0.00 0.00 175.76 176.83 1wfm s GLN 62 N -3.83 1.84 0.30 0.00 1.03 -1.26 0.13 119.66 117.87 1wfm s GLN 62 Ca 0.22 -1.09 0.03 0.00 0.04 0.00 0.00 55.36 54.56 1wfm s GLN 62 Cb -0.01 0.58 0.03 0.00 0.03 0.00 0.00 33.01 33.64 1wfm s GLN 62 CO 0.10 -0.85 0.29 0.25 -2.54 0.00 0.00 175.29 172.54 1wfm n THR 63 N -0.50 0.00 -2.80 3.63 -2.24 -0.57 -4.85 114.28 106.96 1wfm n THR 63 Ca -0.06 -1.15 -0.40 0.00 -2.27 0.00 0.00 64.05 60.18 1wfm n THR 63 Cb 0.60 -0.40 -0.06 0.00 -2.10 0.00 0.00 70.33 68.37 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 -2.41 3.34 0.47 6.98 0.00 -1.26 -4.65 121.76 124.22 1wfm s ALA 64 Ca 0.22 0.55 -0.22 0.00 0.00 0.00 0.00 51.96 52.51 1wfm s ALA 64 Cb -0.02 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.83 1wfm s ALA 64 CO 0.14 0.16 0.76 1.28 0.00 0.00 0.00 175.76 178.10 1wfm n LEU 65 N 1.86 1.49 -3.84 0.00 7.99 -1.26 -4.83 117.00 118.42 1wfm n LEU 65 Ca -0.02 0.91 -0.12 0.00 -0.01 0.00 0.00 56.01 56.77 1wfm n LEU 65 Cb 0.48 -1.24 -0.13 0.00 -0.11 0.00 0.00 43.42 42.42 1wfm n LEU 65 CO 0.49 -2.30 -0.26 -0.54 -1.51 0.00 0.00 177.39 173.28 1wfm s LYS 66 N -1.96 0.11 -0.06 3.23 -0.14 -0.67 -4.99 119.74 115.27 1wfm s LYS 66 Ca 0.66 0.14 -0.30 0.00 -1.36 0.00 0.00 55.97 55.10 1wfm s LYS 66 Cb -0.54 0.05 -0.09 0.00 -1.68 0.00 0.00 37.83 35.58 1wfm s LYS 66 CO 0.56 -0.02 2.03 1.17 -0.76 0.00 0.00 175.35 178.33 1wfm n LYS 67 N 3.05 2.50 -1.56 1.68 4.81 -1.26 -3.21 118.16 124.17 1wfm n LYS 67 Ca -0.13 0.87 -0.59 0.00 -0.87 0.00 0.00 58.31 57.60 1wfm n LYS 67 Cb 0.59 -3.00 -0.08 0.00 0.02 0.00 0.00 35.03 32.57 1wfm n LYS 67 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1wfm n ARG 68 N 7.73 0.30 -3.84 1.64 0.63 -1.24 -4.89 116.66 116.98 1wfm n ARG 68 Ca 0.23 0.11 -0.09 0.00 -0.92 0.00 0.00 57.85 57.18 1wfm n ARG 68 Cb 0.40 -1.65 -0.07 0.00 0.45 0.00 0.00 32.46 31.59 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 0.63 0.85 0.53 -0.14 -1.52 -1.26 -5.00 119.66 113.75 1wfm s GLN 69 Ca 0.92 -0.94 0.36 0.00 -1.95 0.00 0.00 55.36 53.74 1wfm s GLN 69 Cb -1.22 0.35 1.83 0.00 -0.22 0.00 0.00 33.01 33.75 1wfm s GLN 69 CO 0.58 -0.27 2.08 -0.07 -0.25 0.00 0.00 175.29 177.36 1wfm h LEU 70 N 2.74 0.00 -5.30 2.90 3.38 -1.89 -3.28 115.31 113.86 1wfm h LEU 70 Ca -0.34 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.35 1wfm h LEU 70 Cb 1.20 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.74 1wfm h LEU 70 CO 0.56 0.00 -0.63 1.57 0.09 0.00 0.00 178.44 180.02 1wfm n HIS 71 N -2.81 -2.87 -2.54 1.13 -0.00 -1.26 -3.86 115.22 103.02 1wfm n HIS 71 Ca -0.02 -2.02 -0.34 0.00 0.46 0.00 0.00 57.72 55.80 1wfm n HIS 71 Cb 0.11 1.13 -0.03 0.00 -0.12 0.00 0.00 29.99 31.08 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 0.45 3.76 0.08 3.57 2.01 -1.23 -4.92 115.64 119.37 1wfm s THR 72 Ca 0.32 1.12 0.01 0.00 0.31 0.00 0.00 61.69 63.45 1wfm s THR 72 Cb 0.11 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 1wfm s THR 72 CO -0.15 -0.21 -0.06 0.42 -0.69 0.00 0.00 174.62 173.93 1wfm s THR 73 N -1.94 0.58 0.25 -0.82 -4.23 -1.26 -2.55 115.64 105.67 1wfm s THR 73 Ca 0.67 -1.71 0.05 0.00 -1.18 0.00 0.00 61.69 59.52 1wfm s THR 73 Cb -0.17 -1.39 -0.05 0.00 1.34 0.00 0.00 72.50 72.23 1wfm s THR 73 CO 0.21 -0.77 -0.02 0.26 -0.54 0.00 0.00 174.62 173.75 1wfm s TRP 74 N -3.12 1.72 -0.17 3.99 0.51 -1.05 -5.01 118.94 115.82 1wfm s TRP 74 Ca 0.06 -0.83 0.16 0.00 -2.12 0.00 0.00 56.10 53.36 1wfm s TRP 74 Cb 0.02 -1.00 -0.22 0.00 -0.81 0.00 0.00 33.47 31.46 1wfm s TRP 74 CO -0.04 0.09 0.07 0.39 -0.51 0.00 0.00 176.95 176.95 1wfm n GLU 75 N -0.49 1.12 -4.05 4.98 1.02 -1.26 -4.65 120.64 117.31 1wfm n GLU 75 Ca -0.05 -0.01 -0.22 0.00 -0.02 0.00 0.00 57.16 56.85 1wfm n GLU 75 Cb 0.64 -1.45 -0.05 0.00 -0.02 0.00 0.00 31.44 30.56 1wfm n GLU 75 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1wfm s GLU 76 N -2.45 2.60 0.42 3.49 -1.05 -1.26 -4.95 118.70 115.49 1wfm s GLU 76 Ca -0.09 -1.33 0.07 0.00 -0.15 0.00 0.00 54.97 53.47 1wfm s GLU 76 Cb 0.05 -2.35 -0.07 0.00 -0.44 0.00 0.00 34.13 31.32 1wfm s GLU 76 CO 0.72 0.22 0.07 0.20 0.95 0.00 0.00 175.26 177.42 1wfm s GLY 77 N -3.86 2.49 0.48 -3.83 0.00 -1.26 -4.70 107.32 96.65 1wfm s GLY 77 Ca 0.36 -2.12 -0.04 0.00 0.00 0.00 0.00 44.72 42.93 1wfm s GLY 77 CO 0.24 -2.05 0.77 1.08 0.00 0.00 0.00 173.10 173.14 1wfm s LEU 78 N -3.79 3.60 -0.22 0.66 1.43 0.11 -4.79 118.68 115.67 1wfm s LEU 78 Ca 0.35 0.77 -0.14 0.00 -1.03 0.00 0.00 54.13 54.07 1wfm s LEU 78 Cb 0.07 -3.68 0.07 0.00 0.03 0.00 0.00 46.19 42.68 1wfm s LEU 78 CO 0.18 -0.65 0.56 0.54 0.23 0.00 0.00 176.35 177.21 1wfm s VAL 79 N -2.72 -0.01 0.03 -1.59 0.11 -1.26 0.17 120.40 115.13 1wfm s VAL 79 Ca 0.48 0.04 0.05 0.00 -2.93 0.00 0.00 61.98 59.62 1wfm s VAL 79 Cb -0.10 -0.81 -0.02 0.00 -1.53 0.00 0.00 36.38 33.92 1wfm s VAL 79 CO 0.43 0.01 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.31 1wfm s LEU 80 N 1.27 2.16 -0.16 2.54 2.01 -0.67 -4.80 118.68 121.03 1wfm s LEU 80 Ca -0.08 -0.44 -0.29 0.00 0.01 0.00 0.00 54.13 53.33 1wfm s LEU 80 Cb -0.06 -0.65 -0.02 0.00 0.01 0.00 0.00 46.19 45.47 1wfm s LEU 80 CO -0.13 0.06 1.27 -2.16 1.01 0.00 0.00 176.35 176.40 1wfm s PRO 81 N -1.05 4.24 -0.13 1.29 0.04 -1.26 0.11 135.00 138.23 1wfm s PRO 81 Ca 0.03 1.68 -0.09 0.00 0.04 0.00 0.00 61.00 62.65 1wfm s PRO 81 Cb -0.08 -3.76 0.04 0.00 0.04 0.00 0.00 34.50 30.74 1wfm s PRO 81 CO 0.01 -0.70 0.32 -1.17 0.04 0.00 0.00 177.00 175.50 1wfm s LEU 82 N 3.46 0.53 0.09 -3.56 1.98 -0.20 -4.90 118.68 116.09 1wfm s LEU 82 Ca 0.55 0.66 -0.22 0.00 -2.89 0.00 0.00 54.13 52.24 1wfm s LEU 82 Cb -0.22 1.05 -0.07 0.00 0.66 0.00 0.00 46.19 47.61 1wfm s LEU 82 CO 0.15 -0.14 0.65 0.00 -1.89 0.00 0.00 176.35 175.12 1wfm s ALA 83 N 0.67 3.52 0.57 5.97 0.00 -1.26 -3.93 121.76 127.31 1wfm s ALA 83 Ca -0.04 0.15 0.36 0.00 0.00 0.00 0.00 51.96 52.43 1wfm s ALA 83 Cb -0.05 -2.77 1.95 0.00 0.00 0.00 0.00 23.12 22.25 1wfm s ALA 83 CO -0.04 0.32 2.10 1.49 0.00 0.00 0.00 175.76 179.62 1wfm h GLU 84 N 4.66 0.00 -0.01 0.00 4.81 -1.94 1.02 114.58 123.13 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 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1wfm h GLU 84 CO 0.65 0.00 -0.05 -0.85 -0.73 0.00 0.00 179.01 178.03 1wfm n GLU 85 N -2.90 1.15 0.00 1.92 0.28 -1.26 -3.33 120.64 116.50 1wfm n GLU 85 Ca -0.02 -0.46 0.00 0.00 -0.16 0.00 0.00 57.16 56.52 1wfm n GLU 85 Cb 0.20 -1.49 0.00 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 -0.52 1.88 -0.30 3.44 1.02 0.34 -4.70 120.64 121.79 1wfm n GLU 86 Ca 0.19 -0.26 0.02 0.00 -0.02 0.00 0.00 57.16 57.08 1wfm n GLU 86 Cb 0.27 -0.74 0.09 0.00 -0.02 0.00 0.00 31.44 31.03 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 -0.95 -0.68 -4.62 3.38 -1.21 1.60 115.31 112.82 1wfm h LEU 87 Ca 0.00 0.26 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 1wfm h LEU 87 Cb 0.04 0.58 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1wfm h LEU 87 CO 0.00 -0.29 -0.21 1.55 0.09 0.00 0.00 178.44 179.58 1wfm h PRO 88 N -0.02 0.00 -0.81 1.13 0.13 -1.83 -3.00 132.00 127.59 1wfm h PRO 88 Ca 0.38 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 65.07 1wfm h PRO 88 Cb 0.62 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.49 1wfm h PRO 88 CO -0.88 0.21 0.44 0.25 -0.23 0.00 0.00 178.00 177.79 1wfm n THR 89 N -3.25 3.05 -3.81 1.56 -2.24 0.46 -4.91 114.28 105.14 1wfm n THR 89 Ca 0.01 -2.28 -0.12 0.00 -2.27 0.00 0.00 64.05 59.39 1wfm n THR 89 Cb 0.50 -0.49 -0.12 0.00 -2.10 0.00 0.00 70.33 68.12 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 -3.33 -0.48 -0.02 6.98 0.00 0.33 -2.69 121.76 122.55 1wfm s ALA 90 Ca 0.54 0.49 0.03 0.00 0.00 0.00 0.00 51.96 53.02 1wfm s ALA 90 Cb 0.46 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 23.30 1wfm s ALA 90 CO 0.07 -0.11 -0.10 0.99 0.00 0.00 0.00 175.76 176.62 1wfm s THR 91 N -0.05 0.78 -0.13 0.00 2.01 -1.10 -3.93 115.64 113.22 1wfm s THR 91 Ca -0.01 -0.40 -0.09 0.00 0.31 0.00 0.00 61.69 61.50 1wfm s THR 91 Cb -0.02 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 1wfm s THR 91 CO 0.00 0.23 0.17 -0.22 -0.69 0.00 0.00 174.62 174.12 1wfm s LEU 92 N -0.05 4.34 -0.34 4.42 2.96 -0.98 -1.53 118.68 127.51 1wfm s LEU 92 Ca 0.01 0.45 0.02 0.00 -0.22 0.00 0.00 54.13 54.39 1wfm s LEU 92 Cb -0.06 -2.14 0.10 0.00 0.50 0.00 0.00 46.19 44.60 1wfm s LEU 92 CO -0.00 0.33 0.09 -0.89 -1.32 0.00 0.00 176.35 174.56 1wfm s THR 93 N -0.60 1.57 0.29 3.68 2.01 0.53 -0.22 115.64 122.90 1wfm s THR 93 Ca 0.14 -1.93 -0.29 0.00 0.31 0.00 0.00 61.69 59.92 1wfm s THR 93 Cb -0.12 -2.17 -0.09 0.00 0.01 0.00 0.00 72.50 70.13 1wfm s THR 93 CO 0.03 -0.66 1.03 -0.76 -0.69 0.00 0.00 174.62 173.58 1wfm s LEU 94 N 1.18 4.51 -0.06 4.42 1.02 0.37 -2.03 118.68 128.09 1wfm s LEU 94 Ca 0.11 2.11 -0.04 0.00 0.02 0.00 0.00 54.13 56.33 1wfm s LEU 94 Cb -0.19 -3.73 0.03 0.00 0.02 0.00 0.00 46.19 42.32 1wfm s LEU 94 CO -0.16 -0.10 0.15 0.42 0.02 0.00 0.00 176.35 176.69 1wfm s THR 95 N -1.27 -0.03 -0.53 5.49 -4.23 0.18 0.23 115.64 115.48 1wfm s THR 95 Ca 0.46 0.11 -0.10 0.00 -1.18 0.00 0.00 61.69 60.97 1wfm s THR 95 Cb -0.28 -0.24 0.13 0.00 1.34 0.00 0.00 72.50 73.46 1wfm s THR 95 CO 0.35 0.04 0.41 -0.22 -0.54 0.00 0.00 174.62 174.67 1wfm s LEU 96 N 0.73 5.82 0.54 4.79 2.96 0.30 0.12 118.68 133.94 1wfm s LEU 96 Ca -0.05 -2.06 -0.03 0.00 -0.22 0.00 0.00 54.13 51.77 1wfm s LEU 96 Cb -0.07 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.59 1wfm s LEU 96 CO -0.04 -0.67 0.81 -0.13 -1.32 0.00 0.00 176.35 175.00 1wfm s ARG 97 N 1.15 2.91 0.10 1.98 0.52 -1.08 0.21 118.95 124.74 1wfm s ARG 97 Ca 0.08 -0.26 0.10 0.00 -0.52 0.00 0.00 55.73 55.12 1wfm s ARG 97 Cb -0.25 -2.39 -0.04 0.00 0.52 0.00 0.00 34.95 32.80 1wfm s ARG 97 CO -0.01 -0.57 -0.25 0.95 0.02 0.00 0.00 175.30 175.44 1wfm s THR 98 N -2.82 2.07 -0.36 0.02 -4.23 -1.26 -2.46 115.64 106.59 1wfm s THR 98 Ca 0.52 -1.61 0.05 0.00 -1.18 0.00 0.00 61.69 59.48 1wfm s THR 98 Cb -0.10 -1.83 0.55 0.00 1.34 0.00 0.00 72.50 72.46 1wfm s THR 98 CO 0.42 0.11 1.66 0.00 -0.54 0.00 0.00 174.62 176.26 1wfm n ASP 100 N -0.48 -2.27 0.37 0.00 9.92 -1.26 -4.55 116.55 118.28 1wfm n ASP 100 Ca 0.41 -0.25 -0.15 0.00 -0.53 0.00 0.00 54.79 54.27 1wfm n ASP 100 Cb 1.32 -0.34 -0.07 0.00 -0.64 0.00 0.00 41.12 41.38 1wfm n ASP 100 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1wfm h ARG 101 N 0.00 -0.93 0.00 -1.24 3.08 -1.99 -3.42 114.38 109.88 1wfm h ARG 101 Ca -0.11 0.06 -0.17 0.00 0.07 0.00 0.00 59.98 59.83 1wfm h ARG 101 Cb 0.38 0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 1wfm h ARG 101 CO 0.07 -0.62 -1.61 1.19 -1.07 0.00 0.00 179.97 177.92 1wfm n PHE 102 N -5.31 0.00 -2.23 3.04 3.01 -1.26 -5.06 117.46 109.65 1wfm n PHE 102 Ca -0.12 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.31 1wfm n PHE 102 Cb 0.38 -0.40 0.02 0.00 -0.01 0.00 0.00 39.48 39.46 1wfm n PHE 102 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1wfm n SER 103 N -3.11 -2.08 -4.28 4.37 7.64 -1.26 -4.87 113.62 110.02 1wfm n SER 103 Ca -0.20 -0.12 -0.26 0.00 1.01 0.00 0.00 58.87 59.30 1wfm n SER 103 Cb 0.68 -1.38 -0.10 0.00 -1.01 0.00 0.00 64.21 62.40 1wfm n SER 103 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wfm n ARG 104 N -1.61 0.57 0.00 1.43 1.74 -1.26 -4.62 116.66 112.90 1wfm n ARG 104 Ca -0.05 -1.77 0.00 0.00 -0.77 0.00 0.00 57.85 55.26 1wfm n ARG 104 Cb 0.53 -3.53 0.00 0.00 -1.02 0.00 0.00 32.46 28.45 1wfm n ARG 104 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1wfm n HIS 105 N 15.43 0.00 0.00 -1.55 8.25 -1.26 -5.09 115.22 131.01 1wfm n HIS 105 Ca 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.90 1wfm n HIS 105 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 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 0.00 0.00 -4.28 0.41 7.64 -1.26 -4.88 113.62 111.25 1wfm n SER 106 Ca 0.00 0.17 -0.18 0.00 1.01 0.00 0.00 58.87 59.87 1wfm n SER 106 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 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 -0.34 0.63 -0.27 0.44 -7.23 -1.26 -4.94 120.40 107.42 1wfm s VAL 107 Ca 0.00 -2.00 0.19 0.00 -1.81 0.00 0.00 61.98 58.36 1wfm s VAL 107 Cb 0.00 -2.63 0.17 0.00 0.56 0.00 0.00 36.38 34.48 1wfm s VAL 107 CO 0.00 0.00 1.48 0.00 -0.31 0.00 0.00 175.10 176.27 1wfm h ALA 108 N 2.29 0.80 0.00 1.32 0.00 0.22 -3.44 119.26 120.45 1wfm h ALA 108 Ca -0.38 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1wfm h ALA 108 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1wfm h ALA 108 CO 0.61 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.63 1wfm n GLY 109 N 1.18 1.10 3.62 0.00 0.00 -1.11 -4.79 105.19 105.19 1wfm n GLY 109 Ca 0.02 0.36 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 3.15 -0.26 1.61 2.12 -1.25 0.11 118.70 124.17 1wfm s GLU 110 Ca 0.00 -0.45 0.01 0.00 0.36 0.00 0.00 54.97 54.88 1wfm s GLU 110 Cb 0.00 -2.81 0.08 0.00 0.26 0.00 0.00 34.13 31.66 1wfm s GLU 110 CO 0.00 0.57 0.00 -1.17 -0.54 0.00 0.00 175.26 174.13 1wfm s LEU 111 N -0.53 2.72 0.02 2.70 1.98 0.64 0.93 118.68 127.13 1wfm s LEU 111 Ca 0.09 -1.40 -0.26 0.00 -2.89 0.00 0.00 54.13 49.67 1wfm s LEU 111 Cb -0.12 -1.13 -0.05 0.00 0.66 0.00 0.00 46.19 45.56 1wfm s LEU 111 CO 0.02 -0.30 0.79 -0.60 -1.89 0.00 0.00 176.35 174.37 1wfm s ARG 112 N 1.41 4.50 0.30 1.98 3.52 -1.26 0.14 118.95 129.53 1wfm s ARG 112 Ca 0.01 1.09 0.03 0.00 -0.13 0.00 0.00 55.73 56.72 1wfm s ARG 112 Cb -0.18 -3.40 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 1wfm s ARG 112 CO -0.11 0.18 0.15 -0.51 -0.81 0.00 0.00 175.30 174.20 1wfm s LEU 113 N 0.30 1.66 0.04 -0.88 1.43 0.69 -4.95 118.68 116.96 1wfm s LEU 113 Ca 0.41 -1.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.01 1wfm s LEU 113 Cb -0.20 0.17 -0.02 0.00 0.03 0.00 0.00 46.19 46.17 1wfm s LEU 113 CO 0.23 -0.86 -0.10 -0.83 0.23 0.00 0.00 176.35 175.01 1wfm s GLY 114 N -3.36 0.61 -0.37 -3.19 0.00 -1.26 -2.32 107.32 97.43 1wfm s GLY 114 Ca 0.36 -0.74 0.06 0.00 0.00 0.00 0.00 44.72 44.40 1wfm s GLY 114 CO 0.17 -0.75 1.52 1.04 0.00 0.00 0.00 173.10 175.08 1wfm n LEU 115 N 1.79 5.18 -0.04 0.66 7.99 -1.25 -4.43 117.00 126.89 1wfm n LEU 115 Ca -0.20 -4.16 0.04 0.00 -0.01 0.00 0.00 56.01 51.69 1wfm n LEU 115 Cb 0.55 -0.63 -0.16 0.00 -0.11 0.00 0.00 43.42 43.07 1wfm n LEU 115 CO 0.22 1.54 -0.87 -0.90 -1.51 0.00 0.00 177.39 175.88 1wfm n ASP 116 N -0.97 0.02 -0.15 -1.43 5.75 -1.25 -4.21 116.55 114.31 1wfm n ASP 116 Ca 0.43 0.01 0.00 0.00 -0.01 0.00 0.00 54.79 55.22 1wfm n ASP 116 Cb 0.97 1.65 0.00 0.00 -1.03 0.00 0.00 41.12 42.71 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 1.05 0.00 6.12 0.00 -1.26 -4.91 105.19 107.60 1wfm n GLY 117 Ca -0.13 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.05 0.00 -0.27 2.61 -1.04 -1.26 -4.87 114.28 108.41 1wfm n THR 118 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1wfm n THR 118 Cb 0.18 -0.33 -0.05 0.00 -1.82 0.00 0.00 70.33 68.31 1wfm n THR 118 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1wfm h SER 119 N 0.00 -1.68 -3.88 8.00 0.02 -1.96 -3.39 113.55 110.66 1wfm h SER 119 Ca 0.00 0.27 -0.48 0.00 -0.84 0.00 0.00 61.79 60.74 1wfm h SER 119 Cb 0.00 0.76 -0.31 0.00 0.14 0.00 0.00 62.40 62.99 1wfm h SER 119 CO 0.00 -0.32 -0.81 0.68 -1.14 0.00 0.00 176.83 175.25 1wfm s VAL 120 N -5.76 1.04 0.95 2.27 -7.23 -1.26 -5.06 120.40 105.35 1wfm s VAL 120 Ca -0.14 -0.51 -0.13 0.00 -1.81 0.00 0.00 61.98 59.39 1wfm s VAL 120 Cb 0.13 -0.91 0.16 0.00 0.56 0.00 0.00 36.38 36.33 1wfm s VAL 120 CO 0.65 0.31 1.15 -2.16 -0.31 0.00 0.00 175.10 174.75 1wfm s PRO 121 N 0.09 0.81 0.16 4.82 0.04 -1.26 -4.35 135.00 135.30 1wfm s PRO 121 Ca -0.03 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1wfm s PRO 121 Cb -0.09 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1wfm s PRO 121 CO 0.01 -2.40 0.32 -0.51 0.04 0.00 0.00 177.00 174.46 1wfm s LEU 122 N -6.12 4.29 -1.52 -3.56 1.43 -1.26 -4.23 118.68 107.72 1wfm s LEU 122 Ca 0.66 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 54.06 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 0.54 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.76 1wfm n GLY 123 N -0.43 0.51 2.75 -3.19 0.00 0.51 -4.91 105.19 100.42 1wfm n GLY 123 Ca -0.06 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 -2.57 1.59 0.27 4.61 0.00 -1.25 -5.02 121.76 119.39 1wfm s ALA 124 Ca 0.00 -1.67 -0.30 0.00 0.00 0.00 0.00 51.96 49.98 1wfm s ALA 124 Cb 0.00 -1.62 -0.11 0.00 0.00 0.00 0.00 23.12 21.39 1wfm s ALA 124 CO 0.00 -1.64 1.61 0.00 0.00 0.00 0.00 175.76 175.73 1wfm s ALA 125 N 1.59 3.78 0.13 0.00 0.00 -1.26 -4.50 121.76 121.49 1wfm s ALA 125 Ca 0.09 1.56 0.04 0.00 0.00 0.00 0.00 51.96 53.65 1wfm s ALA 125 Cb -0.17 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 1wfm s ALA 125 CO -0.24 -0.96 -0.10 -0.65 0.00 0.00 0.00 175.76 173.82 1wfm s GLN 126 N -0.16 0.99 -0.65 0.00 -0.21 -0.80 -5.01 119.66 113.82 1wfm s GLN 126 Ca 0.65 -1.37 -0.10 0.00 0.02 0.00 0.00 55.36 54.56 1wfm s GLN 126 Cb -0.48 -0.57 0.17 0.00 1.00 0.00 0.00 33.01 33.13 1wfm s GLN 126 CO 0.44 0.07 0.54 -1.58 -2.12 0.00 0.00 175.29 172.65 1wfm s TRP 127 N -3.14 3.53 0.75 0.91 0.52 -1.26 -2.98 118.94 117.27 1wfm s TRP 127 Ca 0.14 -2.10 -0.06 0.00 0.02 0.00 0.00 56.10 54.09 1wfm s TRP 127 Cb 0.02 -3.57 0.10 0.00 -1.15 0.00 0.00 33.47 28.87 1wfm s TRP 127 CO -0.00 -0.95 1.05 0.20 0.02 0.00 0.00 176.95 177.27 1wfm s GLY 128 N 2.02 1.74 -0.14 0.98 0.00 -0.97 -4.91 107.32 106.04 1wfm s GLY 128 Ca 0.13 -1.21 0.01 0.00 0.00 0.00 0.00 44.72 43.64 1wfm s GLY 128 CO -0.04 -0.71 -0.14 -0.54 0.00 0.00 0.00 173.10 171.67 1wfm s GLU 129 N -5.31 2.20 -0.05 2.90 2.02 -1.26 -1.46 118.70 117.74 1wfm s GLU 129 Ca 0.64 -0.53 -0.30 0.00 0.02 0.00 0.00 54.97 54.81 1wfm s GLU 129 Cb -0.08 -2.00 -0.07 0.00 0.10 0.00 0.00 34.13 32.08 1wfm s GLU 129 CO 0.46 -0.20 1.82 -0.51 0.02 0.00 0.00 175.26 176.86 1wfm s LEU 130 N 1.39 4.26 -0.09 1.80 1.43 0.15 -4.77 118.68 122.83 1wfm s LEU 130 Ca 0.02 2.33 0.09 0.00 -1.03 0.00 0.00 54.13 55.54 1wfm s LEU 130 Cb -0.13 -3.53 0.43 0.00 0.03 0.00 0.00 46.19 42.99 1wfm s LEU 130 CO -0.08 -1.09 1.23 0.29 0.23 0.00 0.00 176.35 176.92 1wfm n LYS 131 N 7.48 2.83 0.00 1.70 4.76 0.26 -4.45 118.16 130.75 1wfm n LYS 131 Ca 0.19 -1.68 0.00 0.00 -2.87 0.00 0.00 58.31 53.95 1wfm n LYS 131 Cb 0.42 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 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 0.46 0.00 -1.65 -0.18 -2.24 -1.24 -4.34 114.28 105.10 1wfm n THR 132 Ca 0.15 0.00 -0.49 0.00 -2.27 0.00 0.00 64.05 61.44 1wfm n THR 132 Cb 0.66 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.84 1wfm n THR 132 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wfm n SER 133 N -2.41 2.61 -4.04 3.42 2.88 -1.26 -3.92 113.62 110.89 1wfm n SER 133 Ca 0.00 1.08 -0.16 0.00 -1.33 0.00 0.00 58.87 58.47 1wfm n SER 133 Cb 0.00 -1.33 -0.10 0.00 -0.75 0.00 0.00 64.21 62.04 1wfm n SER 133 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wfm s GLY 134 N 1.23 1.78 -1.20 0.46 0.00 -1.26 -5.04 107.32 103.30 1wfm s GLY 134 Ca 0.83 -1.80 -0.09 0.00 0.00 0.00 0.00 44.72 43.66 1wfm s GLY 134 CO 0.44 -1.49 2.41 -1.55 0.00 0.00 0.00 173.10 172.90 1wfm n PRO 135 N -0.44 2.67 0.00 2.90 -0.04 -1.26 -4.61 135.00 134.22 1wfm n PRO 135 Ca 0.02 -1.84 0.00 0.00 -0.04 0.00 0.00 63.50 61.64 1wfm n PRO 135 Cb 0.65 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 1wfm n PRO 135 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wfm n SER 136 N 4.42 0.00 -3.64 3.54 7.64 -1.26 -5.18 113.62 119.14 1wfm n SER 136 Ca 0.58 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 60.37 1wfm n SER 136 Cb 0.21 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.34 1wfm n SER 136 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfm s SER 137 N 0.00 -0.50 0.00 6.43 0.15 -1.26 -5.08 113.70 113.44 1wfm s SER 137 Ca 0.00 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.59 1wfm s SER 137 Cb 0.00 0.98 0.00 0.00 -1.71 0.00 0.00 66.02 65.29 1wfm s SER 137 CO 0.00 -0.16 0.15 0.61 1.20 0.00 0.00 173.24 175.04