#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 -0.24 0.16 1.61 0.15 -1.26 -5.18 113.70 108.93 1wfm s SER 2 Ca 0.00 -0.50 -0.25 0.00 0.70 0.00 0.00 55.95 55.90 1wfm s SER 2 Cb 0.00 0.57 0.06 0.00 -1.71 0.00 0.00 66.02 64.94 1wfm s SER 2 CO 0.00 -1.05 0.92 -0.94 1.20 0.00 0.00 173.24 173.38 1wfm s SER 3 N -2.88 -0.20 0.00 5.45 1.04 -1.26 -5.19 113.70 110.66 1wfm s SER 3 Ca 0.10 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1wfm s SER 3 Cb -0.01 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1wfm s SER 3 CO -0.03 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.86 1wfm n GLY 4 N -0.46 2.29 3.57 7.32 0.00 -1.26 -5.18 105.19 111.47 1wfm n GLY 4 Ca -0.06 -1.05 -0.06 0.00 0.00 0.00 0.00 46.02 44.85 1wfm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfm s SER 5 N -0.72 -0.21 -0.16 1.61 0.01 -1.26 -5.15 113.70 107.82 1wfm s SER 5 Ca 0.00 0.03 -0.34 0.00 1.31 0.00 0.00 55.95 56.94 1wfm s SER 5 Cb 0.00 0.21 0.14 0.00 0.21 0.00 0.00 66.02 66.58 1wfm s SER 5 CO 0.00 -0.34 1.21 -0.55 0.41 0.00 0.00 173.24 173.98 1wfm s SER 6 N -2.14 -0.13 -0.28 2.44 0.15 -1.26 -5.19 113.70 107.29 1wfm s SER 6 Ca 0.07 -0.02 -0.28 0.00 0.70 0.00 0.00 55.95 56.42 1wfm s SER 6 Cb -0.01 0.15 0.19 0.00 -1.71 0.00 0.00 66.02 64.64 1wfm s SER 6 CO -0.06 -0.25 1.37 -0.83 1.20 0.00 0.00 173.24 174.67 1wfm s GLY 7 N -2.28 0.13 -0.06 9.45 0.00 -1.26 -5.19 107.32 108.11 1wfm s GLY 7 Ca 0.10 2.94 -0.32 0.00 0.00 0.00 0.00 44.72 47.44 1wfm s GLY 7 CO -0.05 1.25 1.25 -1.35 0.00 0.00 0.00 173.10 174.21 1wfm s SER 8 N -0.83 -0.09 -0.30 1.64 1.04 -1.26 -5.10 113.70 108.81 1wfm s SER 8 Ca 0.08 -0.11 -0.11 0.00 0.48 0.00 0.00 55.95 56.30 1wfm s SER 8 Cb -0.02 0.17 0.18 0.00 0.10 0.00 0.00 66.02 66.45 1wfm s SER 8 CO -0.09 -0.30 0.98 -1.66 0.98 0.00 0.00 173.24 173.15 1wfm s TRP 9 N -2.46 -0.69 0.10 5.02 1.48 -1.26 -5.04 118.94 116.09 1wfm s TRP 9 Ca 0.13 0.65 0.00 0.00 -1.06 0.00 0.00 56.10 55.81 1wfm s TRP 9 Cb 0.03 0.21 0.00 0.00 -1.16 0.00 0.00 33.47 32.55 1wfm s TRP 9 CO -0.04 -0.39 0.00 -1.71 -4.06 0.00 0.00 176.95 170.75 1wfm n ASN 10 N 5.40 -0.90 -3.87 -2.66 2.85 -1.26 -5.16 115.26 109.65 1wfm n ASN 10 Ca -0.03 0.32 -0.09 0.00 -0.11 0.00 0.00 54.58 54.67 1wfm n ASN 10 Cb 0.54 1.08 -0.05 0.00 1.24 0.00 0.00 39.78 42.59 1wfm n ASN 10 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1wfm s GLN 11 N -2.00 1.37 0.21 1.20 0.74 -1.26 -5.17 119.66 114.75 1wfm s GLN 11 Ca 0.00 -1.05 0.05 0.00 0.05 0.00 0.00 55.36 54.40 1wfm s GLN 11 Cb 0.00 0.47 -0.03 0.00 1.10 0.00 0.00 33.01 34.55 1wfm s GLN 11 CO 0.00 -0.56 0.31 0.00 -0.55 0.00 0.00 175.29 174.49 1wfm s ALA 12 N -3.94 3.88 0.01 1.58 0.00 -1.26 -5.05 121.76 116.98 1wfm s ALA 12 Ca 0.15 -1.20 -0.30 0.00 0.00 0.00 0.00 51.96 50.61 1wfm s ALA 12 Cb 0.00 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.41 1wfm s ALA 12 CO 0.01 0.34 1.18 -1.25 0.00 0.00 0.00 175.76 176.05 1wfm s PRO 13 N -3.71 4.41 0.04 0.00 0.04 -1.26 -4.73 135.00 129.79 1wfm s PRO 13 Ca 0.34 1.71 0.05 0.00 0.04 0.00 0.00 61.00 63.14 1wfm s PRO 13 Cb -0.09 -3.43 -0.03 0.00 0.04 0.00 0.00 34.50 30.98 1wfm s PRO 13 CO 0.28 -0.31 -0.12 0.15 0.04 0.00 0.00 177.00 177.04 1wfm s LYS 14 N 1.48 2.29 -0.13 4.56 1.02 -0.50 -0.14 119.74 128.33 1wfm s LYS 14 Ca 0.57 -0.88 -0.04 0.00 0.02 0.00 0.00 55.97 55.65 1wfm s LYS 14 Cb -0.27 -2.35 0.05 0.00 -0.52 0.00 0.00 37.83 34.74 1wfm s LYS 14 CO 0.27 0.56 0.07 -1.17 -0.92 0.00 0.00 175.35 174.15 1wfm s LEU 15 N -1.57 0.40 0.11 3.17 2.96 0.21 0.19 118.68 124.14 1wfm s LEU 15 Ca 0.17 -0.40 -0.25 0.00 -0.22 0.00 0.00 54.13 53.44 1wfm s LEU 15 Cb -0.11 -0.27 -0.07 0.00 0.50 0.00 0.00 46.19 46.24 1wfm s LEU 15 CO 0.08 -0.30 0.75 -2.28 -1.32 0.00 0.00 176.35 173.28 1wfm s HIS 16 N 2.10 3.83 -0.25 5.38 5.65 0.23 -2.16 115.29 130.07 1wfm s HIS 16 Ca 0.03 1.54 -0.18 0.00 0.25 0.00 0.00 55.06 56.69 1wfm s HIS 16 Cb -0.15 -2.76 0.07 0.00 -1.18 0.00 0.00 32.58 28.56 1wfm s HIS 16 CO -0.07 0.43 0.64 1.52 -0.65 0.00 0.00 174.74 176.61 1wfm s TYR 17 N -0.71 -0.87 -0.30 3.88 -0.85 -1.19 -2.88 117.35 114.44 1wfm s TYR 17 Ca 0.36 1.88 -0.06 0.00 -0.52 0.00 0.00 57.07 58.74 1wfm s TYR 17 Cb -0.22 0.43 0.02 0.00 0.38 0.00 0.00 41.96 42.57 1wfm s TYR 17 CO 0.24 -0.43 0.06 0.00 -1.52 0.00 0.00 175.55 173.90 1wfm s LEU 19 N 1.45 4.47 -0.30 0.00 2.01 -1.26 -2.08 118.68 122.98 1wfm s LEU 19 Ca 0.01 1.19 -0.03 0.00 0.01 0.00 0.00 54.13 55.31 1wfm s LEU 19 Cb -0.18 -2.88 0.18 0.00 0.01 0.00 0.00 46.19 43.33 1wfm s LEU 19 CO 0.01 0.20 0.60 -0.62 1.01 0.00 0.00 176.35 177.56 1wfm s ASP 20 N -0.70 -1.30 -0.23 2.29 2.15 -0.82 0.19 116.67 118.25 1wfm s ASP 20 Ca 0.29 0.98 -0.13 0.00 0.43 0.00 0.00 52.55 54.12 1wfm s ASP 20 Cb -0.19 2.16 -0.04 0.00 -0.30 0.00 0.00 42.92 44.55 1wfm s ASP 20 CO 0.18 -0.25 0.29 -0.47 -0.17 0.00 0.00 175.17 174.74 1wfm s TYR 21 N 2.86 3.32 -0.93 -5.34 5.04 -1.26 -1.67 117.35 119.36 1wfm s TYR 21 Ca 0.16 0.40 -0.12 0.00 -2.44 0.00 0.00 57.07 55.07 1wfm s TYR 21 Cb -0.14 -2.43 0.24 0.00 0.35 0.00 0.00 41.96 39.98 1wfm s TYR 21 CO -0.20 -0.03 0.89 0.34 -1.34 0.00 0.00 175.55 175.21 1wfm s ASP 22 N 1.20 6.95 0.44 4.32 -1.08 -1.08 -4.87 116.67 122.55 1wfm s ASP 22 Ca 0.13 -3.05 0.29 0.00 -0.52 0.00 0.00 52.55 49.40 1wfm s ASP 22 Cb -0.15 -2.20 1.39 0.00 -1.46 0.00 0.00 42.92 40.50 1wfm s ASP 22 CO 0.07 -0.46 1.66 0.00 0.52 0.00 0.00 175.17 176.96 1wfm h GLN 24 N 0.13 0.55 -0.19 0.00 1.08 -1.96 -1.40 115.11 113.32 1wfm h GLN 24 Ca 0.77 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.94 1wfm h GLN 24 Cb 2.42 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 29.72 1wfm h GLN 24 CO -0.36 0.36 0.00 1.63 -0.95 0.00 0.00 178.83 179.51 1wfm n LYS 25 N -4.84 2.30 -3.25 1.46 5.02 0.54 -4.92 118.16 114.48 1wfm n LYS 25 Ca 0.04 -1.93 -0.16 0.00 -2.02 0.00 0.00 58.31 54.24 1wfm n LYS 25 Cb 0.11 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 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 1.23 -1.06 -3.40 7.82 0.00 0.70 -4.86 120.51 120.93 1wfm n ALA 26 Ca 0.17 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.29 1wfm n ALA 26 Cb 0.56 -1.25 -0.16 0.00 0.00 0.00 0.00 19.45 18.59 1wfm n ALA 26 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wfm s GLU 27 N -5.77 1.61 0.80 0.00 0.41 -1.19 -1.91 118.70 112.64 1wfm s GLU 27 Ca 0.32 -0.40 -0.11 0.00 -0.41 0.00 0.00 54.97 54.36 1wfm s GLU 27 Cb -0.19 -1.35 0.07 0.00 -1.78 0.00 0.00 34.13 30.89 1wfm s GLU 27 CO 0.39 0.04 1.09 -1.17 -0.49 0.00 0.00 175.26 175.12 1wfm s LEU 28 N 0.60 2.61 -0.06 1.80 2.96 0.43 -2.64 118.68 124.38 1wfm s LEU 28 Ca -0.13 1.37 -0.05 0.00 -0.22 0.00 0.00 54.13 55.10 1wfm s LEU 28 Cb -0.15 -3.98 0.02 0.00 0.50 0.00 0.00 46.19 42.58 1wfm s LEU 28 CO 0.03 -2.03 0.17 -0.36 -1.32 0.00 0.00 176.35 172.84 1wfm s PHE 29 N -3.11 -0.18 -0.50 5.38 0.40 -0.67 -2.04 117.98 117.26 1wfm s PHE 29 Ca 0.61 0.46 0.04 0.00 -0.60 0.00 0.00 56.93 57.43 1wfm s PHE 29 Cb -0.15 0.05 0.17 0.00 0.51 0.00 0.00 43.02 43.60 1wfm s PHE 29 CO 0.55 -0.10 0.37 0.08 0.70 0.00 0.00 175.22 176.82 1wfm s VAL 30 N 0.23 1.14 0.00 -0.44 1.01 0.38 -1.94 120.40 120.78 1wfm s VAL 30 Ca -0.01 -3.08 0.00 0.00 0.00 0.00 0.00 61.98 58.89 1wfm s VAL 30 Cb -0.02 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1wfm s VAL 30 CO -0.01 -1.14 0.00 0.35 0.00 0.00 0.00 175.10 174.31 1wfm n THR 31 N 2.69 0.00 -3.94 3.92 -2.24 -0.88 0.19 114.28 114.02 1wfm n THR 31 Ca 0.25 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.63 1wfm n THR 31 Cb 0.43 -1.04 0.02 0.00 -2.10 0.00 0.00 70.33 67.64 1wfm n THR 31 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wfm n ARG 32 N 0.00 -0.76 -2.97 -0.78 5.12 -1.26 -1.34 116.66 114.67 1wfm n ARG 32 Ca 0.00 0.23 -0.41 0.00 -1.93 0.00 0.00 57.85 55.74 1wfm n ARG 32 Cb 0.00 -3.23 -0.05 0.00 -1.16 0.00 0.00 32.46 28.02 1wfm n ARG 32 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1wfm s LEU 33 N -7.09 4.18 -0.31 0.55 2.01 -1.26 -3.21 118.68 113.54 1wfm s LEU 33 Ca 0.45 1.08 0.05 0.00 0.01 0.00 0.00 54.13 55.72 1wfm s LEU 33 Cb -0.21 -3.12 0.19 0.00 0.01 0.00 0.00 46.19 43.05 1wfm s LEU 33 CO 0.93 -0.34 0.54 -1.61 1.01 0.00 0.00 176.35 176.89 1wfm s GLU 34 N 1.95 0.57 0.55 1.70 2.02 -1.14 -2.24 118.70 122.12 1wfm s GLU 34 Ca 0.35 0.25 -0.16 0.00 0.02 0.00 0.00 54.97 55.43 1wfm s GLU 34 Cb -0.16 0.05 -0.06 0.00 0.10 0.00 0.00 34.13 34.06 1wfm s GLU 34 CO 0.12 -1.08 1.02 0.00 0.02 0.00 0.00 175.26 175.35 1wfm s ALA 35 N 2.53 2.90 -0.39 5.21 0.00 -0.99 -0.60 121.76 130.43 1wfm s ALA 35 Ca 0.11 0.30 0.10 0.00 0.00 0.00 0.00 51.96 52.47 1wfm s ALA 35 Cb -0.10 -3.18 0.32 0.00 0.00 0.00 0.00 23.12 20.16 1wfm s ALA 35 CO -0.23 -0.52 0.72 0.28 0.00 0.00 0.00 175.76 176.01 1wfm n VAL 36 N -1.78 -0.28 0.10 0.00 0.31 0.50 -3.21 118.33 113.97 1wfm n VAL 36 Ca 0.08 -4.04 -0.10 0.00 -0.01 0.00 0.00 64.34 60.27 1wfm n VAL 36 Cb 0.53 -0.45 -0.06 0.00 -0.91 0.00 0.00 33.84 32.95 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 1.51 0.48 -5.70 2.52 1.35 -1.81 -1.32 112.91 109.95 1wfm h THR 37 Ca 0.06 -0.90 -0.12 0.00 -0.55 0.00 0.00 66.41 64.90 1wfm h THR 37 Cb 0.96 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1wfm h THR 37 CO 0.45 0.12 -0.31 -1.54 -0.25 0.00 0.00 175.52 173.99 1wfm n SER 38 N -5.01 -7.10 -3.87 5.36 3.41 -1.26 -4.50 113.62 100.65 1wfm n SER 38 Ca -0.07 -0.23 -0.08 0.00 -0.26 0.00 0.00 58.87 58.23 1wfm n SER 38 Cb 0.24 -4.42 -0.03 0.00 -0.26 0.00 0.00 64.21 59.73 1wfm n SER 38 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1wfm s ASN 39 N -2.93 -0.22 0.42 4.04 3.84 -1.26 -4.80 114.94 114.03 1wfm s ASN 39 Ca 0.03 -0.67 -0.22 0.00 0.21 0.00 0.00 52.86 52.21 1wfm s ASN 39 Cb -0.01 0.65 -0.10 0.00 -0.55 0.00 0.00 41.25 41.25 1wfm s ASN 39 CO 0.79 -1.21 0.99 -1.00 -2.79 0.00 0.00 177.10 173.87 1wfm s HIS 40 N -3.94 3.28 0.11 0.43 3.76 -1.26 -5.01 115.29 112.66 1wfm s HIS 40 Ca 0.14 1.63 -0.26 0.00 -0.15 0.00 0.00 55.06 56.42 1wfm s HIS 40 Cb -0.03 -2.96 0.08 0.00 1.11 0.00 0.00 32.58 30.78 1wfm s HIS 40 CO 0.05 -0.34 1.08 0.34 -0.85 0.00 0.00 174.74 175.02 1wfm s ASP 41 N -1.94 -0.10 -1.09 1.40 -1.08 -1.26 -5.08 116.67 107.53 1wfm s ASP 41 Ca 0.61 -0.38 -0.06 0.00 -0.52 0.00 0.00 52.55 52.19 1wfm s ASP 41 Cb -0.15 0.39 0.29 0.00 -1.46 0.00 0.00 42.92 41.99 1wfm s ASP 41 CO 0.19 -0.73 1.28 0.61 0.52 0.00 0.00 175.17 177.03 1wfm n GLY 42 N -0.55 4.68 7.00 2.66 0.00 -1.26 -5.00 105.19 112.71 1wfm n GLY 42 Ca -0.06 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.33 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 2.00 2.29 1.20 -0.02 0.00 -1.26 -4.92 105.19 104.47 1wfm n GLY 43 Ca 0.25 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -4.37 6.66 0.26 0.00 1.11 -1.26 -3.66 116.67 115.42 1wfm s ASP 45 Ca 0.00 0.78 0.09 0.00 0.18 0.00 0.00 52.55 53.60 1wfm s ASP 45 Cb 0.00 -2.26 -0.04 0.00 1.07 0.00 0.00 42.92 41.69 1wfm s ASP 45 CO 0.00 0.09 0.06 0.00 1.18 0.00 0.00 175.17 176.51 1wfm s TYR 47 N -2.27 -0.19 0.21 0.00 -0.85 -1.15 -0.57 117.35 112.52 1wfm s TYR 47 Ca 0.32 -0.04 -0.11 0.00 -0.52 0.00 0.00 57.07 56.73 1wfm s TYR 47 Cb -0.07 0.21 -0.07 0.00 0.38 0.00 0.00 41.96 42.41 1wfm s TYR 47 CO 0.22 -0.64 0.55 0.08 -1.52 0.00 0.00 175.55 174.24 1wfm s VAL 48 N -3.31 4.91 -0.03 -3.49 1.01 -1.26 -3.15 120.40 115.08 1wfm s VAL 48 Ca -0.00 0.57 -0.00 0.00 0.00 0.00 0.00 61.98 62.55 1wfm s VAL 48 Cb 0.01 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.77 1wfm s VAL 48 CO -0.08 0.02 0.02 -1.58 0.00 0.00 0.00 175.10 173.47 1wfm s GLN 49 N -2.58 0.18 -0.16 2.72 0.74 -0.82 -0.43 119.66 119.31 1wfm s GLN 49 Ca 0.45 0.16 0.01 0.00 0.05 0.00 0.00 55.36 56.03 1wfm s GLN 49 Cb -0.12 -0.48 0.01 0.00 1.10 0.00 0.00 33.01 33.52 1wfm s GLN 49 CO 0.20 -0.20 -0.18 0.20 -0.55 0.00 0.00 175.29 174.77 1wfm s GLY 50 N 1.34 1.42 0.03 2.59 0.00 0.40 -0.02 107.32 113.08 1wfm s GLY 50 Ca -0.05 -1.13 0.07 0.00 0.00 0.00 0.00 44.72 43.60 1wfm s GLY 50 CO -0.03 0.13 -0.19 -0.45 0.00 0.00 0.00 173.10 172.56 1wfm s SER 51 N 1.03 2.29 0.08 1.64 0.15 -0.77 0.93 113.70 119.05 1wfm s SER 51 Ca -0.02 -0.46 0.06 0.00 0.70 0.00 0.00 55.95 56.23 1wfm s SER 51 Cb -0.15 -0.20 -0.03 0.00 -1.71 0.00 0.00 66.02 63.93 1wfm s SER 51 CO -0.05 0.16 -0.15 -0.69 1.20 0.00 0.00 173.24 173.71 1wfm s VAL 52 N -0.71 1.25 -0.20 4.45 1.01 -0.33 -0.18 120.40 125.70 1wfm s VAL 52 Ca 0.07 -1.39 -0.01 0.00 0.00 0.00 0.00 61.98 60.65 1wfm s VAL 52 Cb -0.08 -1.21 0.05 0.00 0.00 0.00 0.00 36.38 35.14 1wfm s VAL 52 CO 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 175.10 174.86 1wfm s ALA 53 N -1.34 1.55 0.17 5.51 0.00 -0.90 0.11 121.76 126.87 1wfm s ALA 53 Ca 0.01 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.06 1wfm s ALA 53 Cb -0.09 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 1wfm s ALA 53 CO 0.03 -1.01 -0.08 0.54 0.00 0.00 0.00 175.76 175.23 1wfm s ASN 54 N 1.59 4.34 0.62 0.00 2.20 0.33 -2.91 114.94 121.12 1wfm s ASN 54 Ca -0.02 -0.53 0.25 0.00 -0.94 0.00 0.00 52.86 51.61 1wfm s ASN 54 Cb -0.17 -0.78 1.21 0.00 -2.00 0.00 0.00 41.25 39.51 1wfm s ASN 54 CO -0.07 0.11 1.66 0.03 -2.94 0.00 0.00 177.10 175.89 1wfm h ARG 55 N 2.94 0.00 0.12 3.55 3.08 -1.90 1.40 114.38 123.56 1wfm h ARG 55 Ca -0.47 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.31 1wfm h ARG 55 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1wfm h ARG 55 CO 0.55 0.00 -1.24 1.79 -1.07 0.00 0.00 179.97 180.00 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 0.18 -3.08 0.00 0.00 -0.55 0.00 0.00 66.41 62.95 1wfm h THR 56 Cb 1.49 2.93 0.00 0.00 -1.73 0.00 0.00 68.15 70.84 1wfm h THR 56 CO -0.00 0.90 0.00 0.61 -0.25 0.00 0.00 175.52 176.78 1wfm n GLY 57 N 1.52 -0.63 3.44 5.82 0.00 0.48 -5.17 105.19 110.66 1wfm n GLY 57 Ca -0.08 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.30 0.21 1.61 1.04 -1.26 0.12 113.70 111.12 1wfm s SER 58 Ca 0.00 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1wfm s SER 58 Cb 0.00 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.62 1wfm s SER 58 CO 0.00 -0.98 0.08 0.68 0.98 0.00 0.00 173.24 174.00 1wfm s VAL 59 N -3.83 0.38 -0.06 5.02 -7.23 0.31 -4.95 120.40 110.05 1wfm s VAL 59 Ca 0.06 -1.98 -0.20 0.00 -1.81 0.00 0.00 61.98 58.05 1wfm s VAL 59 Cb -0.00 -2.41 0.04 0.00 0.56 0.00 0.00 36.38 34.57 1wfm s VAL 59 CO -0.07 -0.16 0.45 -1.61 -0.31 0.00 0.00 175.10 173.39 1wfm s GLU 60 N -4.04 0.76 0.25 4.82 2.02 -1.26 -1.18 118.70 120.07 1wfm s GLU 60 Ca 0.33 0.10 -0.21 0.00 0.02 0.00 0.00 54.97 55.21 1wfm s GLU 60 Cb 0.07 0.35 0.03 0.00 0.10 0.00 0.00 34.13 34.68 1wfm s GLU 60 CO 0.10 -0.20 0.69 0.00 0.02 0.00 0.00 175.26 175.87 1wfm s ALA 61 N -0.98 -1.30 0.20 5.21 0.00 0.27 -4.95 121.76 120.21 1wfm s ALA 61 Ca -0.10 -0.13 -0.23 0.00 0.00 0.00 0.00 51.96 51.50 1wfm s ALA 61 Cb -0.03 0.86 0.05 0.00 0.00 0.00 0.00 23.12 23.99 1wfm s ALA 61 CO 0.05 -0.98 0.79 1.14 0.00 0.00 0.00 175.76 176.76 1wfm s GLN 62 N -3.88 1.47 0.59 0.00 1.03 -1.26 0.15 119.66 117.77 1wfm s GLN 62 Ca 0.09 -0.77 0.07 0.00 0.04 0.00 0.00 55.36 54.79 1wfm s GLN 62 Cb -0.05 0.53 0.10 0.00 0.03 0.00 0.00 33.01 33.63 1wfm s GLN 62 CO 0.03 -0.67 0.82 0.25 -2.54 0.00 0.00 175.29 173.17 1wfm n THR 63 N -0.44 0.00 -2.68 3.63 -2.24 0.43 -4.92 114.28 108.06 1wfm n THR 63 Ca -0.07 -1.76 -0.41 0.00 -2.27 0.00 0.00 64.05 59.54 1wfm n THR 63 Cb 0.61 -0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.80 3.28 0.94 6.98 0.00 -1.26 -4.61 121.76 124.30 1wfm s ALA 64 Ca 0.60 0.64 -0.17 0.00 0.00 0.00 0.00 51.96 53.03 1wfm s ALA 64 Cb -0.04 -3.29 -0.14 0.00 0.00 0.00 0.00 23.12 19.64 1wfm s ALA 64 CO 0.38 -0.05 -0.69 1.28 0.00 0.00 0.00 175.76 176.68 1wfm n LEU 65 N 2.60 -5.57 -4.15 0.00 7.99 -1.26 -4.83 117.00 111.78 1wfm n LEU 65 Ca 0.02 0.24 -0.15 0.00 -0.01 0.00 0.00 56.01 56.11 1wfm n LEU 65 Cb 0.48 -0.79 -0.06 0.00 -0.11 0.00 0.00 43.42 42.95 1wfm n LEU 65 CO 0.52 -5.82 0.04 -0.54 -1.51 0.00 0.00 177.39 170.07 1wfm s LYS 66 N -1.93 1.79 -0.35 3.23 -0.14 0.26 -4.95 119.74 117.65 1wfm s LYS 66 Ca 0.43 -1.79 -0.11 0.00 -1.36 0.00 0.00 55.97 53.14 1wfm s LYS 66 Cb -0.22 0.40 0.02 0.00 -1.68 0.00 0.00 37.83 36.34 1wfm s LYS 66 CO 0.80 -0.71 0.19 0.21 -0.76 0.00 0.00 175.35 175.09 1wfm s LYS 67 N -3.31 3.00 -0.24 1.68 2.20 -1.26 -2.36 119.74 119.45 1wfm s LYS 67 Ca 0.34 -0.96 -0.39 0.00 -0.36 0.00 0.00 55.97 54.59 1wfm s LYS 67 Cb 0.01 -3.69 -0.18 0.00 -1.51 0.00 0.00 37.83 32.47 1wfm s LYS 67 CO 0.21 -0.61 1.21 -2.13 -0.36 0.00 0.00 175.35 173.67 1wfm n ARG 68 N 5.00 0.00 -4.14 4.03 0.00 -1.24 -4.86 116.66 115.45 1wfm n ARG 68 Ca -0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.60 1wfm n ARG 68 Cb 0.47 -1.34 -0.07 0.00 0.00 0.00 0.00 32.46 31.52 1wfm n ARG 68 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1wfm s GLN 69 N 1.45 1.53 0.00 -0.14 -1.52 -1.26 -5.01 119.66 114.71 1wfm s GLN 69 Ca 0.88 -1.62 0.18 0.00 -1.95 0.00 0.00 55.36 52.85 1wfm s GLN 69 Cb -1.25 0.37 0.91 0.00 -0.22 0.00 0.00 33.01 32.82 1wfm s GLN 69 CO 0.63 -0.58 1.56 1.28 -0.25 0.00 0.00 175.29 177.93 1wfm n LEU 70 N -0.42 0.00 -2.68 2.90 4.77 -1.26 -4.16 117.00 116.15 1wfm n LEU 70 Ca 0.02 0.31 -0.04 0.00 -0.03 0.00 0.00 56.01 56.27 1wfm n LEU 70 Cb 0.63 -0.31 0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1wfm n LEU 70 CO 0.29 -0.12 0.46 1.57 -1.33 0.00 0.00 177.39 178.26 1wfm n HIS 71 N -1.31 -1.06 -2.19 -1.77 -0.00 -1.26 -4.32 115.22 103.30 1wfm n HIS 71 Ca 0.08 -0.76 -0.33 0.00 -0.00 0.00 0.00 57.72 56.71 1wfm n HIS 71 Cb 0.15 1.14 -0.00 0.00 -0.00 0.00 0.00 29.99 31.28 1wfm n HIS 71 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1wfm s THR 72 N 0.84 3.83 0.09 3.57 2.01 -1.20 -4.92 115.64 119.87 1wfm s THR 72 Ca 0.25 0.94 -0.02 0.00 0.31 0.00 0.00 61.69 63.16 1wfm s THR 72 Cb 0.13 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.19 1wfm s THR 72 CO -0.10 -0.44 0.04 0.42 -0.69 0.00 0.00 174.62 173.84 1wfm s THR 73 N -2.33 0.17 0.15 -0.82 -4.23 -1.26 -2.34 115.64 104.98 1wfm s THR 73 Ca 0.64 -1.76 0.07 0.00 -1.18 0.00 0.00 61.69 59.46 1wfm s THR 73 Cb -0.16 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.95 1wfm s THR 73 CO 0.32 -0.75 -0.15 0.26 -0.54 0.00 0.00 174.62 173.76 1wfm s TRP 74 N -3.96 1.54 -0.21 3.99 0.51 -0.95 -5.00 118.94 114.86 1wfm s TRP 74 Ca 0.13 -0.56 0.15 0.00 -2.12 0.00 0.00 56.10 53.70 1wfm s TRP 74 Cb 0.07 -0.78 0.68 0.00 -0.81 0.00 0.00 33.47 32.64 1wfm s TRP 74 CO -0.06 0.22 1.60 -1.91 -0.51 0.00 0.00 176.95 176.29 1wfm n GLU 75 N 0.24 3.92 -1.11 4.98 2.13 -1.26 -4.63 120.64 124.92 1wfm n GLU 75 Ca -0.13 -3.02 0.00 0.00 0.66 0.00 0.00 57.16 54.67 1wfm n GLU 75 Cb 0.58 -2.07 0.00 0.00 0.27 0.00 0.00 31.44 30.22 1wfm n GLU 75 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1wfm n GLU 76 N 0.05 0.00 -3.91 5.31 0.28 -1.26 -5.11 120.64 116.00 1wfm n GLU 76 Ca 0.25 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 57.17 1wfm n GLU 76 Cb 1.07 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.89 1wfm n GLU 76 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1wfm s GLY 77 N -0.65 0.26 0.46 -1.84 0.00 -1.26 -4.10 107.32 100.19 1wfm s GLY 77 Ca 0.00 -0.61 0.05 0.00 0.00 0.00 0.00 44.72 44.16 1wfm s GLY 77 CO 0.00 -0.45 0.64 1.08 0.00 0.00 0.00 173.10 174.37 1wfm s LEU 78 N -2.96 3.55 -0.30 0.66 1.43 0.13 -4.85 118.68 116.34 1wfm s LEU 78 Ca 0.17 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 52.99 1wfm s LEU 78 Cb -0.02 -2.78 0.16 0.00 0.03 0.00 0.00 46.19 43.59 1wfm s LEU 78 CO 0.05 -0.86 0.72 0.54 0.23 0.00 0.00 176.35 177.03 1wfm s VAL 79 N -2.50 -0.86 -0.02 -1.59 0.11 -1.26 0.14 120.40 114.43 1wfm s VAL 79 Ca 0.54 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.61 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 0.35 0.00 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.31 1wfm s LEU 80 N 2.83 3.27 0.00 2.54 2.01 -0.87 -4.86 118.68 123.61 1wfm s LEU 80 Ca 0.06 -0.06 -0.30 0.00 0.01 0.00 0.00 54.13 53.84 1wfm s LEU 80 Cb -0.12 -1.82 -0.04 0.00 0.01 0.00 0.00 46.19 44.21 1wfm s LEU 80 CO -0.19 0.31 1.19 -2.16 1.01 0.00 0.00 176.35 176.52 1wfm s PRO 81 N -1.24 4.40 -0.25 1.29 0.04 -1.26 0.16 135.00 138.15 1wfm s PRO 81 Ca 0.16 1.71 -0.21 0.00 0.04 0.00 0.00 61.00 62.71 1wfm s PRO 81 Cb -0.11 -3.45 0.07 0.00 0.04 0.00 0.00 34.50 31.04 1wfm s PRO 81 CO 0.06 -0.34 0.65 -1.17 0.04 0.00 0.00 177.00 176.24 1wfm s LEU 82 N 1.60 -0.56 0.42 -3.56 1.98 -0.80 -4.87 118.68 112.89 1wfm s LEU 82 Ca 0.57 1.33 -0.10 0.00 -2.89 0.00 0.00 54.13 53.04 1wfm s LEU 82 Cb -0.27 2.22 -0.06 0.00 0.66 0.00 0.00 46.19 48.74 1wfm s LEU 82 CO 0.26 -0.23 0.79 0.00 -1.89 0.00 0.00 176.35 175.28 1wfm s ALA 83 N 0.66 3.33 -0.29 5.97 0.00 -1.26 -3.94 121.76 126.24 1wfm s ALA 83 Ca -0.03 -0.21 0.28 0.00 0.00 0.00 0.00 51.96 52.00 1wfm s ALA 83 Cb -0.05 -2.72 1.07 0.00 0.00 0.00 0.00 23.12 21.42 1wfm s ALA 83 CO -0.04 -0.08 1.81 1.49 0.00 0.00 0.00 175.76 178.95 1wfm h GLU 84 N 1.09 0.00 -0.01 0.00 4.81 -1.93 -1.40 114.58 117.14 1wfm h GLU 84 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1wfm h GLU 84 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1wfm h GLU 84 CO 0.63 0.00 -0.17 -0.85 -0.73 0.00 0.00 179.01 177.90 1wfm n GLU 85 N -2.60 0.95 0.00 1.92 0.28 -1.26 -3.55 120.64 116.37 1wfm n GLU 85 Ca 0.02 -0.49 0.00 0.00 -0.16 0.00 0.00 57.16 56.53 1wfm n GLU 85 Cb 0.29 -1.49 -0.00 0.00 1.43 0.00 0.00 31.44 31.67 1wfm n GLU 85 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1wfm n GLU 86 N -0.60 3.53 -0.31 3.44 1.02 -0.69 -4.67 120.64 122.37 1wfm n GLU 86 Ca 0.14 -0.23 0.03 0.00 -0.02 0.00 0.00 57.16 57.08 1wfm n GLU 86 Cb 0.32 -0.73 0.10 0.00 -0.02 0.00 0.00 31.44 31.11 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 0.05 -0.88 -0.67 -4.62 3.38 -1.34 1.68 115.31 112.92 1wfm h LEU 87 Ca 0.00 0.26 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 1wfm h LEU 87 Cb 0.02 0.56 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1wfm h LEU 87 CO 0.00 -0.29 -0.24 1.55 0.09 0.00 0.00 178.44 179.55 1wfm h PRO 88 N -0.01 0.00 -0.82 1.13 0.13 -1.83 -2.96 132.00 127.64 1wfm h PRO 88 Ca 0.40 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 65.17 1wfm h PRO 88 Cb 0.63 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.54 1wfm h PRO 88 CO -0.90 0.24 0.43 0.25 -0.23 0.00 0.00 178.00 177.79 1wfm n THR 89 N -3.27 3.03 -3.92 1.56 -2.24 0.49 -4.92 114.28 105.01 1wfm n THR 89 Ca 0.01 -1.90 -0.10 0.00 -2.27 0.00 0.00 64.05 59.79 1wfm n THR 89 Cb 0.52 -0.41 -0.09 0.00 -2.10 0.00 0.00 70.33 68.24 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 -3.18 -0.12 0.01 6.98 0.00 0.31 -3.35 121.76 122.41 1wfm s ALA 90 Ca 0.55 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1wfm s ALA 90 Cb 0.46 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 1wfm s ALA 90 CO 0.11 -0.29 -0.01 0.99 0.00 0.00 0.00 175.76 176.55 1wfm s THR 91 N -2.31 0.06 -0.24 0.00 2.01 -1.14 -4.26 115.64 109.76 1wfm s THR 91 Ca -0.07 -0.40 -0.06 0.00 0.31 0.00 0.00 61.69 61.47 1wfm s THR 91 Cb -0.03 -0.13 -0.02 0.00 0.01 0.00 0.00 72.50 72.33 1wfm s THR 91 CO -0.03 -0.21 0.02 -0.22 -0.69 0.00 0.00 174.62 173.49 1wfm s LEU 92 N -0.63 3.21 -0.22 4.42 1.98 -0.97 -2.13 118.68 124.34 1wfm s LEU 92 Ca -0.07 -0.29 0.02 0.00 -2.89 0.00 0.00 54.13 50.90 1wfm s LEU 92 Cb -0.04 -1.84 0.04 0.00 0.66 0.00 0.00 46.19 45.00 1wfm s LEU 92 CO -0.00 -0.03 -0.15 -0.89 -1.89 0.00 0.00 176.35 173.39 1wfm s THR 93 N 1.56 2.08 0.17 3.68 2.01 0.74 1.00 115.64 126.87 1wfm s THR 93 Ca 0.06 -1.29 -0.13 0.00 0.31 0.00 0.00 61.69 60.64 1wfm s THR 93 Cb -0.15 -2.05 -0.07 0.00 0.01 0.00 0.00 72.50 70.24 1wfm s THR 93 CO 0.01 0.22 0.55 -0.76 -0.69 0.00 0.00 174.62 173.95 1wfm s LEU 94 N 1.21 4.29 -0.03 4.42 1.43 0.33 -1.85 118.68 128.46 1wfm s LEU 94 Ca -0.02 1.04 -0.01 0.00 -1.03 0.00 0.00 54.13 54.10 1wfm s LEU 94 Cb -0.17 -3.39 0.03 0.00 0.03 0.00 0.00 46.19 42.69 1wfm s LEU 94 CO -0.09 0.05 0.05 -0.89 0.23 0.00 0.00 176.35 175.70 1wfm s THR 95 N -1.57 -0.09 -0.65 5.49 2.01 0.97 0.15 115.64 121.95 1wfm s THR 95 Ca 0.41 0.34 -0.18 0.00 0.31 0.00 0.00 61.69 62.56 1wfm s THR 95 Cb -0.14 -0.12 0.12 0.00 0.01 0.00 0.00 72.50 72.37 1wfm s THR 95 CO 0.20 0.14 0.76 -0.22 -0.69 0.00 0.00 174.62 174.81 1wfm s LEU 96 N 1.69 5.47 0.50 4.42 2.96 0.54 -1.94 118.68 132.32 1wfm s LEU 96 Ca -0.01 -1.61 0.01 0.00 -0.22 0.00 0.00 54.13 52.29 1wfm s LEU 96 Cb -0.12 -2.31 0.01 0.00 0.50 0.00 0.00 46.19 44.28 1wfm s LEU 96 CO -0.03 -1.06 0.71 -0.13 -1.32 0.00 0.00 176.35 174.52 1wfm s ARG 97 N 2.47 2.80 0.07 1.98 0.52 -1.19 0.21 118.95 125.82 1wfm s ARG 97 Ca 0.14 -0.66 0.09 0.00 -0.52 0.00 0.00 55.73 54.78 1wfm s ARG 97 Cb -0.21 -2.54 -0.03 0.00 0.52 0.00 0.00 34.95 32.70 1wfm s ARG 97 CO 0.03 -0.48 -0.24 0.95 0.02 0.00 0.00 175.30 175.59 1wfm s THR 98 N -2.64 1.93 -0.97 0.02 -4.23 -1.26 -2.95 115.64 105.54 1wfm s THR 98 Ca 0.53 -1.43 -0.24 0.00 -1.18 0.00 0.00 61.69 59.37 1wfm s THR 98 Cb -0.10 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.05 1wfm s THR 98 CO 0.38 0.18 1.70 0.00 -0.54 0.00 0.00 174.62 176.35 1wfm s ASP 100 N 6.51 2.14 0.04 0.00 1.01 -1.26 -4.45 116.67 120.65 1wfm s ASP 100 Ca 0.58 -1.13 -0.18 0.00 0.71 0.00 0.00 52.55 52.53 1wfm s ASP 100 Cb -0.03 -0.06 -0.09 0.00 1.01 0.00 0.00 42.92 43.75 1wfm s ASP 100 CO -0.05 -0.38 1.27 -0.09 0.21 0.00 0.00 175.17 176.14 1wfm h ARG 101 N 2.52 -0.50 0.00 8.23 2.43 -2.04 -3.40 114.38 121.62 1wfm h ARG 101 Ca -0.38 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.74 1wfm h ARG 101 Cb 1.22 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 1wfm h ARG 101 CO 0.64 -0.33 -1.31 1.19 -1.51 0.00 0.00 179.97 178.65 1wfm n PHE 102 N -3.86 0.00 -4.13 2.20 3.72 -1.26 -5.02 117.46 109.12 1wfm n PHE 102 Ca -0.06 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.01 1wfm n PHE 102 Cb 0.23 -0.21 -0.02 0.00 -0.94 0.00 0.00 39.48 38.54 1wfm n PHE 102 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1wfm n SER 103 N -2.54 -2.86 -0.29 4.37 2.88 -1.26 -4.75 113.62 109.17 1wfm n SER 103 Ca -0.09 -0.98 0.22 0.00 -1.33 0.00 0.00 58.87 56.69 1wfm n SER 103 Cb 0.61 -2.97 0.42 0.00 -0.75 0.00 0.00 64.21 61.52 1wfm n SER 103 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wfm n ARG 104 N -4.43 -0.06 -0.80 -1.46 1.74 -1.26 -4.42 116.66 105.97 1wfm n ARG 104 Ca -0.01 1.24 -0.33 0.00 -0.77 0.00 0.00 57.85 57.98 1wfm n ARG 104 Cb 0.54 -2.13 0.12 0.00 -1.02 0.00 0.00 32.46 29.97 1wfm n ARG 104 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1wfm n HIS 105 N -5.08 -1.77 -0.17 -1.55 -0.00 -1.26 -4.96 115.22 100.42 1wfm n HIS 105 Ca 0.28 0.20 -0.03 0.00 0.46 0.00 0.00 57.72 58.63 1wfm n HIS 105 Cb 0.95 -1.72 0.03 0.00 -0.12 0.00 0.00 29.99 29.13 1wfm n HIS 105 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1wfm n SER 106 N -0.91 -1.91 -4.75 0.26 2.88 -1.26 -4.98 113.62 102.94 1wfm n SER 106 Ca 0.05 -0.23 -0.30 0.00 -1.33 0.00 0.00 58.87 57.06 1wfm n SER 106 Cb 0.55 -0.10 0.11 0.00 -0.75 0.00 0.00 64.21 64.02 1wfm n SER 106 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1wfm s VAL 107 N -1.14 3.03 -0.77 2.46 -7.23 -1.26 -4.90 120.40 110.59 1wfm s VAL 107 Ca 0.07 0.33 0.20 0.00 -1.81 0.00 0.00 61.98 60.77 1wfm s VAL 107 Cb -0.01 -2.88 0.19 0.00 0.56 0.00 0.00 36.38 34.24 1wfm s VAL 107 CO 0.06 -0.44 1.62 0.00 -0.31 0.00 0.00 175.10 176.03 1wfm n ALA 108 N -3.65 1.74 0.00 1.32 0.00 0.57 -4.69 120.51 115.81 1wfm n ALA 108 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1wfm n ALA 108 Cb 0.55 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1wfm n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wfm n GLY 109 N 0.17 3.37 3.34 0.00 0.00 -1.07 -4.75 105.19 106.25 1wfm n GLY 109 Ca 0.03 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.61 3.32 -0.31 1.61 2.12 -1.26 0.20 118.70 123.77 1wfm s GLU 110 Ca 0.00 -0.73 0.01 0.00 0.36 0.00 0.00 54.97 54.61 1wfm s GLU 110 Cb 0.00 -2.56 0.07 0.00 0.26 0.00 0.00 34.13 31.90 1wfm s GLU 110 CO 0.00 0.21 -0.00 -1.17 -0.54 0.00 0.00 175.26 173.76 1wfm s LEU 111 N 0.34 4.07 0.29 2.70 1.98 0.39 0.20 118.68 128.65 1wfm s LEU 111 Ca -0.13 -1.56 -0.21 0.00 -2.89 0.00 0.00 54.13 49.34 1wfm s LEU 111 Cb -0.16 -1.66 -0.09 0.00 0.66 0.00 0.00 46.19 44.94 1wfm s LEU 111 CO 0.06 -0.29 0.82 -0.60 -1.89 0.00 0.00 176.35 174.45 1wfm s ARG 112 N 1.13 4.32 0.27 1.98 3.00 -1.26 0.12 118.95 128.51 1wfm s ARG 112 Ca -0.02 1.01 -0.07 0.00 -1.00 0.00 0.00 55.73 55.65 1wfm s ARG 112 Cb -0.20 -2.72 -0.01 0.00 0.00 0.00 0.00 34.95 32.02 1wfm s ARG 112 CO -0.04 0.28 0.42 -0.51 0.00 0.00 0.00 175.30 175.45 1wfm s LEU 113 N -2.26 0.70 0.15 -0.88 1.43 0.28 -4.92 118.68 113.18 1wfm s LEU 113 Ca 0.49 -1.21 0.05 0.00 -1.03 0.00 0.00 54.13 52.43 1wfm s LEU 113 Cb -0.16 1.43 -0.04 0.00 0.03 0.00 0.00 46.19 47.45 1wfm s LEU 113 CO 0.20 -1.15 -0.12 -0.83 0.23 0.00 0.00 176.35 174.69 1wfm s GLY 114 N -3.12 1.10 -0.04 -3.19 0.00 -1.26 -2.30 107.32 98.51 1wfm s GLY 114 Ca 0.28 -1.45 0.06 0.00 0.00 0.00 0.00 44.72 43.61 1wfm s GLY 114 CO 0.13 -1.54 1.04 1.04 0.00 0.00 0.00 173.10 173.77 1wfm n LEU 115 N -0.02 2.08 -0.42 0.66 7.99 -1.26 -4.52 117.00 121.51 1wfm n LEU 115 Ca -0.11 -2.33 0.12 0.00 -0.01 0.00 0.00 56.01 53.67 1wfm n LEU 115 Cb 0.60 -0.14 0.48 0.00 -0.11 0.00 0.00 43.42 44.24 1wfm n LEU 115 CO 0.31 0.56 0.83 -0.90 -1.51 0.00 0.00 177.39 176.69 1wfm n ASP 116 N -0.80 1.29 -1.20 -1.43 5.75 -1.25 -4.55 116.55 114.36 1wfm n ASP 116 Ca 0.05 -1.57 -0.11 0.00 -0.01 0.00 0.00 54.79 53.16 1wfm n ASP 116 Cb 0.38 -0.06 -0.01 0.00 -1.03 0.00 0.00 41.12 40.41 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 1.09 -0.04 0.00 6.12 0.00 -1.26 -4.94 105.19 106.16 1wfm n GLY 117 Ca 0.17 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.98 0.00 -0.25 2.61 -1.04 -1.26 -4.78 114.28 105.58 1wfm n THR 118 Ca -0.13 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.81 1wfm n THR 118 Cb 0.59 -0.57 -0.07 0.00 -1.82 0.00 0.00 70.33 68.46 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 -1.42 -4.06 8.00 0.02 -1.92 -3.39 113.55 110.78 1wfm h SER 119 Ca 0.00 0.21 -0.56 0.00 -0.84 0.00 0.00 61.79 60.61 1wfm h SER 119 Cb 0.00 0.62 -0.31 0.00 0.14 0.00 0.00 62.40 62.86 1wfm h SER 119 CO 0.00 -0.17 -0.84 0.68 -1.14 0.00 0.00 176.83 175.36 1wfm s VAL 120 N -4.69 1.41 0.94 2.27 -7.23 -1.26 -5.01 120.40 106.84 1wfm s VAL 120 Ca -0.08 -0.73 -0.13 0.00 -1.81 0.00 0.00 61.98 59.23 1wfm s VAL 120 Cb 0.07 -1.20 0.16 0.00 0.56 0.00 0.00 36.38 35.97 1wfm s VAL 120 CO 0.41 0.41 1.15 -2.16 -0.31 0.00 0.00 175.10 174.60 1wfm s PRO 121 N -0.13 0.87 0.21 4.82 0.04 -1.26 -4.35 135.00 135.20 1wfm s PRO 121 Ca 0.00 0.19 0.01 0.00 0.04 0.00 0.00 61.00 61.25 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 -2.36 0.37 -0.51 0.04 0.00 0.00 177.00 174.55 1wfm s LEU 122 N -6.11 4.26 -1.25 -3.56 1.43 -1.26 -4.24 118.68 107.94 1wfm s LEU 122 Ca 0.65 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 1wfm s LEU 122 Cb -0.13 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.04 1wfm s LEU 122 CO 0.54 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.68 1wfm n GLY 123 N -0.86 0.03 2.91 -3.19 0.00 0.50 -4.92 105.19 99.66 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 -2.53 1.74 -0.20 4.61 0.00 -1.24 -5.03 121.76 119.12 1wfm s ALA 124 Ca 0.00 -1.13 -0.29 0.00 0.00 0.00 0.00 51.96 50.54 1wfm s ALA 124 Cb 0.00 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 1wfm s ALA 124 CO 0.00 -1.04 1.24 0.00 0.00 0.00 0.00 175.76 175.96 1wfm s ALA 125 N 1.51 3.62 0.04 0.00 0.00 -1.26 -4.28 121.76 121.38 1wfm s ALA 125 Ca -0.03 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.31 1wfm s ALA 125 Cb -0.17 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.28 1wfm s ALA 125 CO -0.07 -1.26 -0.07 1.14 0.00 0.00 0.00 175.76 175.50 1wfm s GLN 126 N 3.58 0.50 -0.04 0.00 0.00 -1.23 -5.04 119.66 117.43 1wfm s GLN 126 Ca 0.54 -0.76 -0.13 0.00 -0.00 0.00 0.00 55.36 55.01 1wfm s GLN 126 Cb -0.20 -0.21 -0.05 0.00 0.00 0.00 0.00 33.01 32.55 1wfm s GLN 126 CO 0.15 0.03 0.33 -1.58 0.00 0.00 0.00 175.29 174.21 1wfm s TRP 127 N -1.52 3.68 0.05 9.60 0.52 -1.26 -3.16 118.94 126.85 1wfm s TRP 127 Ca -0.10 0.85 0.04 0.00 0.02 0.00 0.00 56.10 56.91 1wfm s TRP 127 Cb -0.09 -2.19 -0.02 0.00 -1.15 0.00 0.00 33.47 30.01 1wfm s TRP 127 CO -0.00 0.65 -0.12 0.20 0.02 0.00 0.00 176.95 177.70 1wfm s GLY 128 N -0.99 0.71 -0.06 0.98 0.00 -0.92 -4.98 107.32 102.06 1wfm s GLY 128 Ca 0.21 -0.84 -0.21 0.00 0.00 0.00 0.00 44.72 43.88 1wfm s GLY 128 CO 0.10 -0.86 0.61 -0.54 0.00 0.00 0.00 173.10 172.41 1wfm s GLU 129 N -1.44 4.37 0.31 2.90 2.02 -1.26 0.63 118.70 126.24 1wfm s GLU 129 Ca -0.03 0.72 -0.29 0.00 0.02 0.00 0.00 54.97 55.39 1wfm s GLU 129 Cb -0.09 -3.41 -0.11 0.00 0.10 0.00 0.00 34.13 30.63 1wfm s GLU 129 CO 0.01 0.19 1.46 -0.51 0.02 0.00 0.00 175.26 176.44 1wfm s LEU 130 N 0.41 4.36 -0.71 1.80 1.43 0.80 -4.80 118.68 121.97 1wfm s LEU 130 Ca 0.32 2.85 -0.03 0.00 -1.03 0.00 0.00 54.13 56.25 1wfm s LEU 130 Cb -0.17 -3.64 0.20 0.00 0.03 0.00 0.00 46.19 42.60 1wfm s LEU 130 CO 0.16 -0.77 2.39 0.29 0.23 0.00 0.00 176.35 178.65 1wfm n LYS 131 N 1.42 2.90 -1.32 1.70 4.76 0.53 -4.77 118.16 123.38 1wfm n LYS 131 Ca 0.04 -3.05 -0.42 0.00 -2.87 0.00 0.00 58.31 52.00 1wfm n LYS 131 Cb 0.40 -2.25 -0.13 0.00 -1.84 0.00 0.00 35.03 31.20 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 0.31 0.00 -3.26 -0.18 -2.24 -1.26 -4.10 114.28 103.55 1wfm n THR 132 Ca 0.52 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.91 1wfm n THR 132 Cb 0.38 -0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 68.09 1wfm n THR 132 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wfm s SER 133 N 7.59 6.62 0.10 3.42 1.04 -1.26 -4.97 113.70 126.24 1wfm s SER 133 Ca 1.22 0.74 0.04 0.00 0.48 0.00 0.00 55.95 58.42 1wfm s SER 133 Cb -1.22 -2.30 -0.04 0.00 0.10 0.00 0.00 66.02 62.56 1wfm s SER 133 CO 0.49 -0.12 -0.10 -0.83 0.98 0.00 0.00 173.24 173.66 1wfm s GLY 134 N 0.97 0.87 0.02 7.32 0.00 -1.26 -4.64 107.32 110.60 1wfm s GLY 134 Ca 0.25 -1.25 -0.19 0.00 0.00 0.00 0.00 44.72 43.53 1wfm s GLY 134 CO 0.10 -1.34 1.15 -0.56 0.00 0.00 0.00 173.10 172.46 1wfm h PRO 135 N 3.37 0.47 -4.76 2.90 0.13 -2.04 -3.50 132.00 128.58 1wfm h PRO 135 Ca -0.37 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 1wfm h PRO 135 Cb 1.19 0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 1wfm h PRO 135 CO 0.56 1.11 -0.97 0.45 -0.23 0.00 0.00 178.00 178.91 1wfm n SER 136 N -4.19 -5.41 -4.09 1.44 2.88 -1.26 -4.91 113.62 98.08 1wfm n SER 136 Ca -0.10 1.19 -0.36 0.00 -1.33 0.00 0.00 58.87 58.28 1wfm n SER 136 Cb 0.67 -4.64 0.06 0.00 -0.75 0.00 0.00 64.21 59.54 1wfm n SER 136 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wfm n SER 137 N 0.81 -5.01 0.00 -3.46 7.64 -1.26 -5.32 113.62 107.02 1wfm n SER 137 Ca -0.09 0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1wfm n SER 137 Cb 0.14 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1wfm n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64