#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf5 s SER 2 N 0.00 0.53 0.21 1.61 1.04 -1.26 -5.16 113.70 110.67 1wf5 s SER 2 Ca 0.00 -1.24 -0.01 0.00 0.48 0.00 0.00 55.95 55.18 1wf5 s SER 2 Cb 0.00 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 1wf5 s SER 2 CO 0.00 -0.71 0.41 -0.55 0.98 0.00 0.00 173.24 173.36 1wf5 s SER 3 N -3.11 6.40 0.52 7.02 0.15 -1.26 -5.11 113.70 118.31 1wf5 s SER 3 Ca 0.27 0.45 0.08 0.00 0.70 0.00 0.00 55.95 57.45 1wf5 s SER 3 Cb 0.07 -2.03 0.06 0.00 -1.71 0.00 0.00 66.02 62.41 1wf5 s SER 3 CO 0.04 -0.05 0.71 -0.83 1.20 0.00 0.00 173.24 174.32 1wf5 s GLY 4 N -3.11 1.82 0.24 9.45 0.00 -1.26 -5.06 107.32 109.40 1wf5 s GLY 4 Ca 0.39 -1.91 0.00 0.00 0.00 0.00 0.00 44.72 43.20 1wf5 s GLY 4 CO 0.29 -1.56 0.00 1.44 0.00 0.00 0.00 173.10 173.27 1wf5 n SER 5 N -2.12 0.19 -4.89 1.64 7.64 -1.26 -5.09 113.62 109.72 1wf5 n SER 5 Ca 0.12 0.40 -0.33 0.00 1.01 0.00 0.00 58.87 60.07 1wf5 n SER 5 Cb 0.60 0.20 -0.05 0.00 -1.01 0.00 0.00 64.21 63.96 1wf5 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wf5 s SER 6 N -5.28 6.45 0.00 6.43 1.04 -1.26 -5.10 113.70 115.98 1wf5 s SER 6 Ca 0.00 0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1wf5 s SER 6 Cb 0.00 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.07 1wf5 s SER 6 CO 0.00 0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.05 1wf5 n GLY 7 N 0.86 7.15 2.63 7.32 0.00 -1.26 -5.03 105.19 116.85 1wf5 n GLY 7 Ca -0.09 -1.99 -0.05 0.00 0.00 0.00 0.00 46.02 43.88 1wf5 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wf5 n ARG 8 N 0.00 -4.46 -3.21 1.61 1.74 -1.26 -5.05 116.66 106.03 1wf5 n ARG 8 Ca 0.00 3.37 -0.00 0.00 -0.77 0.00 0.00 57.85 60.44 1wf5 n ARG 8 Cb 0.00 -4.83 -0.03 0.00 -1.02 0.00 0.00 32.46 26.59 1wf5 n ARG 8 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wf5 s SER 9 N -0.62 -0.91 -0.00 0.55 1.04 -1.26 -5.15 113.70 107.34 1wf5 s SER 9 Ca -0.27 0.40 -0.00 0.00 0.48 0.00 0.00 55.95 56.55 1wf5 s SER 9 Cb 0.02 1.80 0.00 0.00 0.10 0.00 0.00 66.02 67.93 1wf5 s SER 9 CO 0.74 -0.29 0.00 0.00 0.98 0.00 0.00 173.24 174.68 1wf5 s ALA 10 N 2.75 -0.01 0.00 5.32 0.00 -1.26 -5.01 121.76 123.55 1wf5 s ALA 10 Ca 0.15 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1wf5 s ALA 10 Cb -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1wf5 s ALA 10 CO -0.23 -0.00 0.00 0.72 0.00 0.00 0.00 175.76 176.25 1wf5 n HIS 11 N 3.10 -1.42 -4.16 0.00 8.25 -1.26 -5.15 115.22 114.57 1wf5 n HIS 11 Ca -0.12 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.20 1wf5 n HIS 11 Cb 0.60 0.40 -0.08 0.00 1.12 0.00 0.00 29.99 32.03 1wf5 n HIS 11 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1wf5 s LEU 12 N -4.61 1.11 -0.47 2.41 1.43 -1.26 -5.09 118.68 112.20 1wf5 s LEU 12 Ca 0.00 -1.41 -0.44 0.00 -1.03 0.00 0.00 54.13 51.25 1wf5 s LEU 12 Cb 0.00 0.85 -0.19 0.00 0.03 0.00 0.00 46.19 46.89 1wf5 s LEU 12 CO 0.00 -1.02 1.51 0.54 0.23 0.00 0.00 176.35 177.60 1wf5 n ARG 13 N -0.42 0.00 -3.86 1.70 3.00 -1.26 -4.89 116.66 110.94 1wf5 n ARG 13 Ca 0.02 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.51 1wf5 n ARG 13 Cb 0.64 -1.41 -0.11 0.00 0.00 0.00 0.00 32.46 31.58 1wf5 n ARG 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1wf5 s VAL 14 N 2.83 4.65 -0.99 1.55 0.11 -1.26 -5.03 120.40 122.26 1wf5 s VAL 14 Ca 0.99 -0.07 -0.23 0.00 -2.93 0.00 0.00 61.98 59.74 1wf5 s VAL 14 Cb -1.41 -3.14 0.05 0.00 -1.53 0.00 0.00 36.38 30.35 1wf5 s VAL 14 CO 0.77 0.38 1.42 -0.13 -3.33 0.00 0.00 175.10 174.21 1wf5 s ARG 15 N 1.08 3.56 0.46 1.54 0.52 -1.26 -4.39 118.95 120.45 1wf5 s ARG 15 Ca 0.05 -1.09 0.01 0.00 -0.52 0.00 0.00 55.73 54.18 1wf5 s ARG 15 Cb -0.14 -5.24 0.00 0.00 0.52 0.00 0.00 34.95 30.09 1wf5 s ARG 15 CO 0.03 -2.18 0.68 1.14 0.02 0.00 0.00 175.30 174.99 1wf5 s GLN 16 N 4.90 2.98 0.22 3.54 -2.07 -1.26 -4.93 119.66 123.05 1wf5 s GLN 16 Ca 0.44 -0.57 -0.30 0.00 -1.82 0.00 0.00 55.36 53.12 1wf5 s GLN 16 Cb -0.01 -2.56 -0.09 0.00 -1.09 0.00 0.00 33.01 29.26 1wf5 s GLN 16 CO -0.08 -0.32 1.09 -0.51 -1.32 0.00 0.00 175.29 174.15 1wf5 s LEU 17 N -4.57 4.53 -0.03 2.60 1.43 -1.26 -4.53 118.68 116.85 1wf5 s LEU 17 Ca 0.50 2.16 -0.30 0.00 -1.03 0.00 0.00 54.13 55.46 1wf5 s LEU 17 Cb -0.10 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 1wf5 s LEU 17 CO 0.38 -0.17 1.21 -2.16 0.23 0.00 0.00 176.35 175.84 1wf5 s PRO 18 N -0.86 4.36 0.99 1.29 0.04 -1.23 -4.75 135.00 134.84 1wf5 s PRO 18 Ca 0.47 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 63.10 1wf5 s PRO 18 Cb -0.30 -3.52 0.18 0.00 0.04 0.00 0.00 34.50 30.90 1wf5 s PRO 18 CO 0.37 -0.42 1.09 -1.01 0.04 0.00 0.00 177.00 177.07 1wf5 s HIS 19 N 2.02 1.75 0.98 0.56 3.76 -1.23 -3.94 115.29 119.18 1wf5 s HIS 19 Ca 0.57 1.44 -0.11 0.00 -0.15 0.00 0.00 55.06 56.80 1wf5 s HIS 19 Cb -0.26 -3.20 0.18 0.00 1.11 0.00 0.00 32.58 30.41 1wf5 s HIS 19 CO 0.23 -3.03 1.09 0.00 -0.85 0.00 0.00 174.74 172.19 1wf5 s ALA 20 N -2.67 0.91 0.35 -1.40 0.00 -1.25 -4.36 121.76 113.34 1wf5 s ALA 20 Ca 0.66 0.12 -0.26 0.00 0.00 0.00 0.00 51.96 52.48 1wf5 s ALA 20 Cb -0.22 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.52 1wf5 s ALA 20 CO 0.60 -2.93 1.06 -1.25 0.00 0.00 0.00 175.76 173.24 1wf5 s PRO 21 N -4.70 4.34 0.60 0.00 0.04 -1.26 -4.60 135.00 129.41 1wf5 s PRO 21 Ca 0.66 1.61 0.10 0.00 0.04 0.00 0.00 61.00 63.40 1wf5 s PRO 21 Cb -0.21 -2.78 0.10 0.00 0.04 0.00 0.00 34.50 31.65 1wf5 s PRO 21 CO 0.60 -0.01 0.83 -1.21 0.04 0.00 0.00 177.00 177.25 1wf5 s GLU 22 N -2.11 2.21 -1.08 4.56 2.02 -1.22 -4.54 118.70 118.54 1wf5 s GLU 22 Ca 0.53 -1.68 -0.15 0.00 0.02 0.00 0.00 54.97 53.69 1wf5 s GLU 22 Cb -0.25 -2.62 0.02 0.00 0.10 0.00 0.00 34.13 31.37 1wf5 s GLU 22 CO 0.32 -0.96 0.29 1.58 0.02 0.00 0.00 175.26 176.51 1wf5 n HIS 23 N -2.32 -1.04 -2.33 1.61 -0.00 -1.26 0.00 115.22 109.89 1wf5 n HIS 23 Ca 0.17 0.24 -0.36 0.00 0.46 0.00 0.00 57.72 58.23 1wf5 n HIS 23 Cb 0.62 -2.19 -0.03 0.00 -0.12 0.00 0.00 29.99 28.27 1wf5 n HIS 23 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1wf5 s PRO 24 N -6.75 3.26 -0.12 1.57 0.04 -1.26 -3.81 135.00 127.92 1wf5 s PRO 24 Ca 0.21 -1.59 -0.12 0.00 0.04 0.00 0.00 61.00 59.55 1wf5 s PRO 24 Cb -0.12 -5.39 -0.05 0.00 0.04 0.00 0.00 34.50 28.98 1wf5 s PRO 24 CO 0.78 -3.10 0.27 0.08 0.04 0.00 0.00 177.00 175.06 1wf5 s VAL 25 N 7.56 5.30 -0.16 -0.36 1.01 0.16 -4.60 120.40 129.31 1wf5 s VAL 25 Ca 0.61 0.50 -0.02 0.00 0.00 0.00 0.00 61.98 63.07 1wf5 s VAL 25 Cb 0.02 -3.58 0.05 0.00 0.00 0.00 0.00 36.38 32.87 1wf5 s VAL 25 CO 0.10 0.50 0.01 0.00 0.00 0.00 0.00 175.10 175.70 1wf5 s ALA 26 N -0.28 1.05 0.14 5.51 0.00 -1.26 -0.03 121.76 126.89 1wf5 s ALA 26 Ca 0.17 -0.59 0.09 0.00 0.00 0.00 0.00 51.96 51.64 1wf5 s ALA 26 Cb -0.13 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1wf5 s ALA 26 CO 0.06 -0.90 -0.21 0.95 0.00 0.00 0.00 175.76 175.65 1wf5 s THR 27 N 1.83 1.93 1.05 0.00 -4.23 -0.52 -4.85 115.64 110.84 1wf5 s THR 27 Ca 0.01 -1.77 -0.16 0.00 -1.18 0.00 0.00 61.69 58.59 1wf5 s THR 27 Cb -0.15 -1.81 0.25 0.00 1.34 0.00 0.00 72.50 72.12 1wf5 s THR 27 CO -0.07 -0.13 0.55 0.18 -0.54 0.00 0.00 174.62 174.61 1wf5 n LEU 28 N 0.67 0.00 -4.16 4.79 4.77 -1.26 0.21 117.00 122.02 1wf5 n LEU 28 Ca -0.16 -0.56 -0.39 0.00 -0.03 0.00 0.00 56.01 54.87 1wf5 n LEU 28 Cb 0.55 -0.74 -0.09 0.00 -2.33 0.00 0.00 43.42 40.81 1wf5 n LEU 28 CO 0.26 -2.45 -0.02 -0.55 -1.33 0.00 0.00 177.39 173.29 1wf5 s SER 29 N -2.45 5.53 -0.61 -1.43 0.15 -0.61 -3.32 113.70 110.95 1wf5 s SER 29 Ca 0.43 -2.23 -0.06 0.00 0.70 0.00 0.00 55.95 54.78 1wf5 s SER 29 Cb -0.08 -1.93 -0.15 0.00 -1.71 0.00 0.00 66.02 62.15 1wf5 s SER 29 CO 0.36 -0.56 2.85 0.35 1.20 0.00 0.00 173.24 177.44 1wf5 n THR 30 N 4.41 2.95 0.00 6.45 -2.24 -1.26 -2.82 114.28 121.77 1wf5 n THR 30 Ca -0.01 -1.63 0.00 0.00 -2.27 0.00 0.00 64.05 60.14 1wf5 n THR 30 Cb 0.41 -2.14 0.00 0.00 -2.10 0.00 0.00 70.33 66.49 1wf5 n THR 30 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1wf5 n VAL 31 N 3.17 0.00 -3.15 2.28 3.14 -1.26 -5.15 118.33 117.36 1wf5 n VAL 31 Ca 0.49 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.66 1wf5 n VAL 31 Cb 0.49 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.28 1wf5 n VAL 31 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1wf5 s GLU 32 N -1.36 3.02 -0.18 1.45 2.02 -1.13 -5.10 118.70 117.43 1wf5 s GLU 32 Ca 0.00 -0.77 -0.05 0.00 0.02 0.00 0.00 54.97 54.18 1wf5 s GLU 32 Cb 0.00 -2.67 -0.03 0.00 0.10 0.00 0.00 34.13 31.53 1wf5 s GLU 32 CO 0.00 -0.18 -0.01 1.03 0.02 0.00 0.00 175.26 176.12 1wf5 s ARG 33 N -4.41 3.65 -0.96 1.61 3.00 -1.26 -4.55 118.95 116.03 1wf5 s ARG 33 Ca 0.48 -0.52 -0.01 0.00 0.00 0.00 0.00 55.73 55.69 1wf5 s ARG 33 Cb -0.10 -3.01 -0.01 0.00 0.00 0.00 0.00 34.95 31.83 1wf5 s ARG 33 CO 0.35 0.11 0.80 0.54 0.00 0.00 0.00 175.30 177.10 1wf5 n ARG 34 N 3.93 -4.95 -3.77 3.54 1.74 -1.26 -4.83 116.66 111.06 1wf5 n ARG 34 Ca -0.17 0.69 -0.10 0.00 -0.77 0.00 0.00 57.85 57.50 1wf5 n ARG 34 Cb 0.52 -5.20 -0.07 0.00 -1.02 0.00 0.00 32.46 26.69 1wf5 n ARG 34 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wf5 s ALA 35 N -3.29 -0.56 0.01 7.54 0.00 -1.26 -3.22 121.76 120.98 1wf5 s ALA 35 Ca 0.04 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1wf5 s ALA 35 Cb -0.01 0.46 -0.01 0.00 0.00 0.00 0.00 23.12 23.56 1wf5 s ALA 35 CO 0.59 -0.50 -0.09 0.42 0.00 0.00 0.00 175.76 176.19 1wf5 s ILE 36 N -3.30 0.68 -0.43 0.00 1.01 -0.72 -1.57 121.20 116.86 1wf5 s ILE 36 Ca 0.00 -0.55 -0.19 0.00 0.00 0.00 0.00 60.65 59.92 1wf5 s ILE 36 Cb 0.02 -0.61 0.02 0.00 0.01 0.00 0.00 42.46 41.90 1wf5 s ILE 36 CO -0.08 0.07 0.52 0.21 0.00 0.00 0.00 174.94 175.65 1wf5 s ASN 37 N -0.54 6.24 -0.06 3.58 3.84 0.57 -0.60 114.94 127.97 1wf5 s ASN 37 Ca 0.01 -0.58 -0.17 0.00 0.21 0.00 0.00 52.86 52.33 1wf5 s ASN 37 Cb -0.05 -2.26 -0.05 0.00 -0.55 0.00 0.00 41.25 38.34 1wf5 s ASN 37 CO 0.00 -0.66 0.47 -0.22 -2.79 0.00 0.00 177.10 173.89 1wf5 s LEU 38 N 2.39 4.37 -0.05 3.21 1.98 0.48 -1.44 118.68 129.61 1wf5 s LEU 38 Ca 0.16 0.92 -0.02 0.00 -2.89 0.00 0.00 54.13 52.29 1wf5 s LEU 38 Cb -0.16 -2.68 0.04 0.00 0.66 0.00 0.00 46.19 44.04 1wf5 s LEU 38 CO 0.15 0.14 0.10 0.42 -1.89 0.00 0.00 176.35 175.27 1wf5 s THR 39 N -0.13 -0.11 0.35 3.68 -4.23 0.95 -0.56 115.64 115.59 1wf5 s THR 39 Ca 0.26 0.28 0.06 0.00 -1.18 0.00 0.00 61.69 61.11 1wf5 s THR 39 Cb -0.16 -0.19 -0.03 0.00 1.34 0.00 0.00 72.50 73.46 1wf5 s THR 39 CO 0.12 0.12 0.24 -1.66 -0.54 0.00 0.00 174.62 172.90 1wf5 s TRP 40 N 1.58 1.76 0.18 3.99 -2.14 0.11 0.37 118.94 124.80 1wf5 s TRP 40 Ca -0.04 -1.57 0.05 0.00 2.66 0.00 0.00 56.10 57.20 1wf5 s TRP 40 Cb -0.12 -0.83 -0.04 0.00 -3.10 0.00 0.00 33.47 29.38 1wf5 s TRP 40 CO -0.04 -0.72 0.18 0.99 -2.66 0.00 0.00 176.95 174.69 1wf5 s THR 41 N -3.39 4.63 -0.41 0.66 2.01 0.10 -4.70 115.64 114.54 1wf5 s THR 41 Ca 0.36 -1.09 -0.29 0.00 0.31 0.00 0.00 61.69 60.98 1wf5 s THR 41 Cb 0.02 -3.40 0.02 0.00 0.01 0.00 0.00 72.50 69.16 1wf5 s THR 41 CO 0.24 -0.16 1.15 -0.75 -0.69 0.00 0.00 174.62 174.41 1wf5 s LYS 42 N -3.30 3.83 1.04 4.92 2.36 -1.26 -3.44 119.74 123.90 1wf5 s LYS 42 Ca 0.32 0.80 -0.16 0.00 -2.55 0.00 0.00 55.97 54.38 1wf5 s LYS 42 Cb -0.10 -3.86 0.22 0.00 -1.05 0.00 0.00 37.83 33.04 1wf5 s LYS 42 CO 0.25 -1.23 1.20 -1.25 1.55 0.00 0.00 175.35 175.87 1wf5 s PRO 43 N 4.23 0.04 -0.68 4.03 0.04 -1.26 -4.92 135.00 136.47 1wf5 s PRO 43 Ca 0.49 -0.13 -0.26 0.00 0.04 0.00 0.00 61.00 61.13 1wf5 s PRO 43 Cb -0.10 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 1wf5 s PRO 43 CO 0.26 -2.86 1.73 0.12 0.04 0.00 0.00 177.00 176.29 1wf5 s PHE 44 N -3.42 1.83 0.33 0.56 5.36 -1.26 -4.83 117.98 116.54 1wf5 s PHE 44 Ca 0.71 0.54 0.08 0.00 -0.96 0.00 0.00 56.93 57.29 1wf5 s PHE 44 Cb -0.08 -4.22 0.94 0.00 -0.34 0.00 0.00 43.02 39.32 1wf5 s PHE 44 CO 0.54 -2.19 1.55 -0.40 -1.46 0.00 0.00 175.22 173.27 1wf5 n ASP 45 N 12.05 0.03 0.00 6.13 5.75 -1.26 -3.55 116.55 135.71 1wf5 n ASP 45 Ca 0.19 1.67 0.00 0.00 -0.01 0.00 0.00 54.79 56.64 1wf5 n ASP 45 Cb 0.51 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1wf5 n ASP 45 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wf5 n GLY 46 N -1.42 3.13 0.00 6.12 0.00 -1.26 -3.50 105.19 108.26 1wf5 n GLY 46 Ca 0.28 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1wf5 n GLY 46 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wf5 n ASN 47 N 0.26 0.00 -4.93 1.61 3.02 -1.26 -4.24 115.26 109.72 1wf5 n ASN 47 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.33 1wf5 n ASN 47 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1wf5 n ASN 47 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1wf5 s SER 48 N 0.00 6.11 -0.17 6.41 0.15 -1.26 -5.00 113.70 119.94 1wf5 s SER 48 Ca 0.00 0.01 -0.29 0.00 0.70 0.00 0.00 55.95 56.36 1wf5 s SER 48 Cb 0.00 -1.75 -0.01 0.00 -1.71 0.00 0.00 66.02 62.55 1wf5 s SER 48 CO 0.00 -0.04 1.28 -2.16 1.20 0.00 0.00 173.24 173.52 1wf5 s PRO 49 N -3.80 4.22 0.60 5.44 0.04 -1.26 -4.80 135.00 135.43 1wf5 s PRO 49 Ca 0.34 1.66 -0.18 0.00 0.04 0.00 0.00 61.00 62.86 1wf5 s PRO 49 Cb -0.09 -3.78 -0.15 0.00 0.04 0.00 0.00 34.50 30.53 1wf5 s PRO 49 CO 0.28 -0.73 -0.21 1.28 0.04 0.00 0.00 177.00 177.66 1wf5 n LEU 50 N 6.68 -3.85 -0.07 -3.56 4.77 -1.26 -4.64 117.00 115.07 1wf5 n LEU 50 Ca 0.14 0.58 -0.12 0.00 -0.03 0.00 0.00 56.01 56.58 1wf5 n LEU 50 Cb 0.45 -0.85 -0.04 0.00 -2.33 0.00 0.00 43.42 40.65 1wf5 n LEU 50 CO 0.56 -4.92 -0.73 -0.38 -1.33 0.00 0.00 177.39 170.59 1wf5 n ILE 51 N -1.70 1.38 -3.68 -0.08 5.41 0.53 -4.77 119.36 116.45 1wf5 n ILE 51 Ca 0.06 0.06 -0.04 0.00 1.00 0.00 0.00 62.75 63.83 1wf5 n ILE 51 Cb 0.49 -2.08 0.02 0.00 -0.71 0.00 0.00 39.64 37.35 1wf5 n ILE 51 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 1wf5 n ARG 52 N -4.18 0.66 -3.93 0.38 1.85 -0.68 -4.05 116.66 106.71 1wf5 n ARG 52 Ca -0.20 -1.36 -0.14 0.00 -1.00 0.00 0.00 57.85 55.15 1wf5 n ARG 52 Cb 0.52 1.76 -0.15 0.00 -1.05 0.00 0.00 32.46 33.54 1wf5 n ARG 52 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1wf5 s TYR 53 N -3.57 0.15 -0.51 2.89 1.51 -1.21 -0.83 117.35 115.78 1wf5 s TYR 53 Ca 0.14 -0.00 -0.13 0.00 -1.01 0.00 0.00 57.07 56.07 1wf5 s TYR 53 Cb -0.03 -0.16 0.12 0.00 -0.11 0.00 0.00 41.96 41.79 1wf5 s TYR 53 CO 0.06 -0.03 0.43 0.42 -1.11 0.00 0.00 175.55 175.32 1wf5 s ILE 54 N 0.27 4.81 -0.36 2.71 -1.09 -1.22 -3.39 121.20 122.94 1wf5 s ILE 54 Ca -0.02 -1.57 -0.24 0.00 -2.23 0.00 0.00 60.65 56.59 1wf5 s ILE 54 Cb -0.04 -4.09 0.01 0.00 -1.58 0.00 0.00 42.46 36.76 1wf5 s ILE 54 CO -0.01 -0.80 0.83 -0.22 -1.23 0.00 0.00 174.94 173.51 1wf5 s LEU 55 N 1.51 4.08 -0.17 2.97 0.20 -0.40 -2.92 118.68 123.94 1wf5 s LEU 55 Ca 0.04 0.48 -0.06 0.00 0.69 0.00 0.00 54.13 55.28 1wf5 s LEU 55 Cb -0.28 -3.12 -0.04 0.00 -0.43 0.00 0.00 46.19 42.33 1wf5 s LEU 55 CO 0.02 -0.76 0.02 -1.61 -0.29 0.00 0.00 176.35 173.73 1wf5 s GLU 56 N 3.20 3.85 -0.04 1.98 2.02 -0.57 -0.80 118.70 128.35 1wf5 s GLU 56 Ca 0.34 -0.42 -0.01 0.00 0.02 0.00 0.00 54.97 54.90 1wf5 s GLU 56 Cb -0.13 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 1wf5 s GLU 56 CO 0.17 0.26 0.05 1.41 0.02 0.00 0.00 175.26 177.16 1wf5 s MET 57 N 0.37 3.01 -0.41 1.61 -2.45 -0.80 -0.94 119.30 119.69 1wf5 s MET 57 Ca 0.00 -0.46 0.03 0.00 -1.25 0.00 0.00 55.69 54.01 1wf5 s MET 57 Cb -0.13 -2.83 0.12 0.00 1.25 0.00 0.00 34.83 33.24 1wf5 s MET 57 CO 0.01 0.67 0.16 0.45 1.05 0.00 0.00 175.02 177.36 1wf5 s SER 58 N -1.40 4.24 0.00 1.11 0.15 -1.04 -1.30 113.70 115.46 1wf5 s SER 58 Ca 0.19 -2.40 0.00 0.00 0.70 0.00 0.00 55.95 54.44 1wf5 s SER 58 Cb -0.12 -1.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.85 1wf5 s SER 58 CO 0.09 -0.32 0.00 1.21 1.20 0.00 0.00 173.24 175.42 1wf5 n GLU 59 N 3.89 1.76 -2.04 5.44 2.13 -1.26 -2.01 120.64 128.55 1wf5 n GLU 59 Ca 0.04 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.53 1wf5 n GLU 59 Cb 0.38 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.05 1wf5 n GLU 59 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1wf5 s ASN 60 N -2.07 5.21 -0.22 4.31 0.01 -1.19 -2.63 114.94 118.37 1wf5 s ASN 60 Ca 0.00 -0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.04 1wf5 s ASN 60 Cb 0.00 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.12 1wf5 s ASN 60 CO 0.00 -2.55 0.00 0.59 -1.51 0.00 0.00 177.10 173.63 1wf5 n ASN 61 N 13.32 -5.15 -4.79 -1.22 4.13 -1.26 -4.95 115.26 115.35 1wf5 n ASN 61 Ca 0.29 0.05 -0.36 0.00 1.68 0.00 0.00 54.58 56.25 1wf5 n ASN 61 Cb 0.50 -2.83 -0.04 0.00 -1.54 0.00 0.00 39.78 35.88 1wf5 n ASN 61 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wf5 s ALA 62 N -1.44 3.01 0.33 5.41 0.00 -1.08 -5.01 121.76 122.98 1wf5 s ALA 62 Ca 0.00 0.68 -0.27 0.00 0.00 0.00 0.00 51.96 52.37 1wf5 s ALA 62 Cb 0.00 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 1wf5 s ALA 62 CO 0.00 -0.27 1.07 -1.25 0.00 0.00 0.00 175.76 175.31 1wf5 s PRO 63 N -2.76 4.43 -0.49 0.00 0.04 -1.26 -4.08 135.00 130.87 1wf5 s PRO 63 Ca 0.61 1.65 -0.39 0.00 0.04 0.00 0.00 61.00 62.92 1wf5 s PRO 63 Cb -0.20 -2.89 -0.16 0.00 0.04 0.00 0.00 34.50 31.28 1wf5 s PRO 63 CO 0.25 0.06 2.22 0.91 0.04 0.00 0.00 177.00 180.49 1wf5 n TRP 64 N 0.62 1.28 -3.97 0.56 7.02 -1.26 -4.72 117.44 116.97 1wf5 n TRP 64 Ca 0.02 0.52 -0.35 0.00 -1.02 0.00 0.00 57.50 56.66 1wf5 n TRP 64 Cb 0.47 -2.40 -0.13 0.00 -2.42 0.00 0.00 31.31 26.83 1wf5 n TRP 64 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1wf5 s THR 65 N 7.01 3.94 -0.58 -0.99 -1.32 -0.42 -4.90 115.64 118.38 1wf5 s THR 65 Ca 1.17 -0.31 -0.27 0.00 -1.21 0.00 0.00 61.69 61.06 1wf5 s THR 65 Cb -1.19 -2.80 -0.10 0.00 -1.51 0.00 0.00 72.50 66.90 1wf5 s THR 65 CO 0.56 0.41 2.46 0.52 -2.21 0.00 0.00 174.62 176.36 1wf5 n VAL 66 N 4.49 -0.04 -0.02 5.08 0.31 -1.26 -1.91 118.33 124.98 1wf5 n VAL 66 Ca -0.17 -0.60 -0.00 0.00 -0.01 0.00 0.00 64.34 63.55 1wf5 n VAL 66 Cb 0.52 -2.27 -0.00 0.00 -0.91 0.00 0.00 33.84 31.17 1wf5 n VAL 66 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1wf5 h LEU 67 N 17.62 0.00 -8.27 7.52 3.38 -1.32 -3.44 115.31 130.80 1wf5 h LEU 67 Ca -0.21 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.07 1wf5 h LEU 67 Cb 1.28 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.76 1wf5 h LEU 67 CO 1.20 0.19 -0.58 -0.22 0.09 0.00 0.00 178.44 179.12 1wf5 s LEU 68 N -5.68 4.40 -0.02 1.67 0.20 -0.65 -4.93 118.68 113.68 1wf5 s LEU 68 Ca -0.00 -1.06 0.05 0.00 0.69 0.00 0.00 54.13 53.81 1wf5 s LEU 68 Cb 0.00 -1.92 -0.24 0.00 -0.43 0.00 0.00 46.19 43.60 1wf5 s LEU 68 CO 0.01 -0.33 0.77 0.00 -0.29 0.00 0.00 176.35 176.50 1wf5 h ALA 69 N 8.29 0.54 -3.29 5.97 0.00 -1.86 -1.06 119.26 127.85 1wf5 h ALA 69 Ca -0.25 -1.28 -0.69 0.00 0.00 0.00 0.00 54.91 52.69 1wf5 h ALA 69 Cb 1.09 0.37 -0.34 0.00 0.00 0.00 0.00 17.79 18.91 1wf5 h ALA 69 CO 0.62 1.39 -0.61 0.45 0.00 0.00 0.00 179.25 181.10 1wf5 s SER 70 N -6.54 5.12 0.15 0.00 0.15 -1.26 -4.58 113.70 106.73 1wf5 s SER 70 Ca -0.07 -1.82 0.09 0.00 0.70 0.00 0.00 55.95 54.85 1wf5 s SER 70 Cb 0.08 -1.78 -0.04 0.00 -1.71 0.00 0.00 66.02 62.57 1wf5 s SER 70 CO 0.82 -0.45 -0.21 -0.69 1.20 0.00 0.00 173.24 173.92 1wf5 s VAL 71 N 1.15 1.92 0.34 4.45 1.01 -1.22 -4.95 120.40 123.11 1wf5 s VAL 71 Ca 0.05 -1.82 -0.28 0.00 0.00 0.00 0.00 61.98 59.92 1wf5 s VAL 71 Cb -0.22 -1.83 -0.10 0.00 0.00 0.00 0.00 36.38 34.24 1wf5 s VAL 71 CO -0.04 -0.18 1.25 -1.81 0.00 0.00 0.00 175.10 174.32 1wf5 s ASP 72 N -2.41 6.81 0.13 3.32 1.01 -1.26 -3.33 116.67 120.94 1wf5 s ASP 72 Ca 0.14 2.56 -0.06 0.00 0.71 0.00 0.00 52.55 55.90 1wf5 s ASP 72 Cb -0.08 -2.64 -0.08 0.00 1.01 0.00 0.00 42.92 41.14 1wf5 s ASP 72 CO 0.06 -0.50 1.33 1.55 0.21 0.00 0.00 175.17 177.82 1wf5 h PRO 73 N 3.32 0.49 -1.12 8.23 0.13 -1.86 -3.10 132.00 138.08 1wf5 h PRO 73 Ca -0.48 -0.47 -0.33 0.00 -0.87 0.00 0.00 66.00 63.84 1wf5 h PRO 73 Cb 1.23 0.12 -0.18 0.00 0.13 0.00 0.00 31.00 32.30 1wf5 h PRO 73 CO 0.65 1.11 0.43 1.63 -0.23 0.00 0.00 178.00 181.59 1wf5 n LYS 74 N -3.80 1.81 -4.64 0.86 5.02 -1.26 -4.82 118.16 111.32 1wf5 n LYS 74 Ca -0.07 -1.81 -0.32 0.00 -2.02 0.00 0.00 58.31 54.09 1wf5 n LYS 74 Cb 0.80 -1.71 -0.17 0.00 -0.02 0.00 0.00 35.03 33.93 1wf5 n LYS 74 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wf5 s ALA 75 N -2.03 2.14 -0.37 7.82 0.00 -1.17 -4.98 121.76 123.18 1wf5 s ALA 75 Ca 0.35 -1.02 0.13 0.00 0.00 0.00 0.00 51.96 51.41 1wf5 s ALA 75 Cb 0.29 -0.96 0.35 0.00 0.00 0.00 0.00 23.12 22.79 1wf5 s ALA 75 CO 0.04 -0.03 1.26 0.25 0.00 0.00 0.00 175.76 177.29 1wf5 n THR 76 N 4.08 1.65 -3.63 0.00 -2.24 -1.26 -4.90 114.28 107.97 1wf5 n THR 76 Ca -0.20 -1.55 -0.16 0.00 -2.27 0.00 0.00 64.05 59.87 1wf5 n THR 76 Cb 0.51 0.08 -0.07 0.00 -2.10 0.00 0.00 70.33 68.76 1wf5 n THR 76 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wf5 s SER 77 N -1.68 -0.47 0.05 3.42 1.04 -1.26 0.10 113.70 114.89 1wf5 s SER 77 Ca 0.29 0.53 -0.11 0.00 0.48 0.00 0.00 55.95 57.13 1wf5 s SER 77 Cb 0.22 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.87 1wf5 s SER 77 CO 0.09 -0.50 0.24 0.54 0.98 0.00 0.00 173.24 174.59 1wf5 s VAL 78 N -1.07 0.10 -0.29 5.02 0.11 0.27 -4.96 120.40 119.58 1wf5 s VAL 78 Ca -0.11 -0.82 0.01 0.00 -2.93 0.00 0.00 61.98 58.13 1wf5 s VAL 78 Cb -0.02 -0.95 0.06 0.00 -1.53 0.00 0.00 36.38 33.94 1wf5 s VAL 78 CO 0.07 -0.45 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.46 1wf5 s THR 79 N -2.65 2.62 0.43 5.04 2.01 -1.26 0.18 115.64 122.01 1wf5 s THR 79 Ca -0.04 -1.58 -0.22 0.00 0.31 0.00 0.00 61.69 60.15 1wf5 s THR 79 Cb -0.01 -2.56 -0.09 0.00 0.01 0.00 0.00 72.50 69.86 1wf5 s THR 79 CO -0.04 -0.13 1.03 -0.69 -0.69 0.00 0.00 174.62 174.10 1wf5 s VAL 80 N 1.16 3.83 0.30 3.82 1.01 0.23 -4.85 120.40 125.89 1wf5 s VAL 80 Ca -0.05 1.27 0.07 0.00 0.00 0.00 0.00 61.98 63.26 1wf5 s VAL 80 Cb -0.20 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1wf5 s VAL 80 CO -0.03 -0.12 0.25 0.29 0.00 0.00 0.00 175.10 175.49 1wf5 n LYS 81 N -0.46 0.37 -3.57 2.72 5.02 -1.26 -1.76 118.16 119.20 1wf5 n LYS 81 Ca 0.07 -2.96 -0.20 0.00 -2.02 0.00 0.00 58.31 53.20 1wf5 n LYS 81 Cb 0.51 2.44 0.06 0.00 -0.02 0.00 0.00 35.03 38.01 1wf5 n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wf5 n GLY 82 N -0.56 -0.40 3.88 0.72 0.00 -1.20 -4.95 105.19 102.68 1wf5 n GLY 82 Ca 0.07 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 1wf5 n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wf5 s LEU 83 N -6.47 3.07 -0.06 0.99 1.43 -1.20 -5.10 118.68 111.33 1wf5 s LEU 83 Ca 0.05 -0.99 0.04 0.00 -1.03 0.00 0.00 54.13 52.20 1wf5 s LEU 83 Cb -0.01 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 1wf5 s LEU 83 CO 0.78 -0.86 -0.18 -0.69 0.23 0.00 0.00 176.35 175.63 1wf5 s VAL 84 N -2.62 2.67 0.24 -1.59 1.01 -1.26 -4.88 120.40 113.97 1wf5 s VAL 84 Ca 0.42 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1wf5 s VAL 84 Cb -0.02 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.24 1wf5 s VAL 84 CO 0.25 0.57 1.09 -2.16 0.00 0.00 0.00 175.10 174.86 1wf5 s PRO 85 N -0.36 4.64 -0.15 2.72 0.04 -1.26 -3.59 135.00 137.02 1wf5 s PRO 85 Ca 0.03 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 62.83 1wf5 s PRO 85 Cb -0.12 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1wf5 s PRO 85 CO 0.02 0.19 0.13 0.00 0.04 0.00 0.00 177.00 177.38 1wf5 n ALA 86 N 1.59 -0.18 -3.26 8.56 0.00 -1.04 -4.47 120.51 121.70 1wf5 n ALA 86 Ca 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 1wf5 n ALA 86 Cb 0.45 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.83 1wf5 n ALA 86 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wf5 s ARG 87 N -4.81 0.45 0.25 0.00 0.52 -1.24 -4.95 118.95 109.18 1wf5 s ARG 87 Ca 0.05 0.45 -0.28 0.00 -0.52 0.00 0.00 55.73 55.43 1wf5 s ARG 87 Cb -0.02 0.22 -0.09 0.00 0.52 0.00 0.00 34.95 35.58 1wf5 s ARG 87 CO 0.09 -0.06 0.91 -1.12 0.02 0.00 0.00 175.30 175.13 1wf5 s SER 88 N 0.06 7.49 -0.00 0.23 0.01 -1.26 -1.48 113.70 118.75 1wf5 s SER 88 Ca -0.01 1.85 0.01 0.00 1.31 0.00 0.00 55.95 59.10 1wf5 s SER 88 Cb -0.03 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1wf5 s SER 88 CO 0.01 0.09 -0.01 -0.31 0.41 0.00 0.00 173.24 173.43 1wf5 s TYR 89 N -1.32 0.16 0.33 2.43 2.02 0.38 -3.15 117.35 118.20 1wf5 s TYR 89 Ca 0.43 -0.02 0.09 0.00 -0.37 0.00 0.00 57.07 57.20 1wf5 s TYR 89 Cb -0.23 -0.13 -0.05 0.00 -0.40 0.00 0.00 41.96 41.15 1wf5 s TYR 89 CO 0.28 -0.01 0.00 -0.65 -1.57 0.00 0.00 175.55 173.60 1wf5 s GLN 90 N 0.08 2.08 -0.10 -0.62 -0.21 -0.85 -2.72 119.66 117.32 1wf5 s GLN 90 Ca -0.00 -1.72 -0.10 0.00 0.02 0.00 0.00 55.36 53.55 1wf5 s GLN 90 Cb -0.02 -1.94 0.03 0.00 1.00 0.00 0.00 33.01 32.07 1wf5 s GLN 90 CO -0.00 0.16 0.28 -0.06 -2.12 0.00 0.00 175.29 173.55 1wf5 s PHE 91 N -2.50 -0.29 -0.29 0.91 0.08 -1.26 -2.50 117.98 112.13 1wf5 s PHE 91 Ca 0.34 0.69 -0.00 0.00 0.12 0.00 0.00 56.93 58.08 1wf5 s PHE 91 Cb -0.01 0.10 0.19 0.00 -0.57 0.00 0.00 43.02 42.73 1wf5 s PHE 91 CO 0.19 -0.17 0.73 -0.98 -0.10 0.00 0.00 175.22 174.89 1wf5 s ARG 92 N -0.00 0.44 0.16 0.44 1.70 -0.12 -2.49 118.95 119.08 1wf5 s ARG 92 Ca -0.01 0.49 0.04 0.00 -0.47 0.00 0.00 55.73 55.78 1wf5 s ARG 92 Cb -0.02 0.24 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 1wf5 s ARG 92 CO 0.01 -0.75 0.20 -0.48 -1.08 0.00 0.00 175.30 173.19 1wf5 s LEU 93 N 2.87 4.03 0.40 -1.89 2.34 -1.26 -1.52 118.68 123.66 1wf5 s LEU 93 Ca 0.15 -0.01 0.06 0.00 0.06 0.00 0.00 54.13 54.40 1wf5 s LEU 93 Cb -0.09 -2.62 -0.07 0.00 -0.56 0.00 0.00 46.19 42.85 1wf5 s LEU 93 CO -0.24 0.06 0.02 0.00 -1.06 0.00 0.00 176.35 175.13 1wf5 s ALA 95 N -2.81 3.56 -0.10 0.00 0.00 -1.23 -3.40 121.76 117.77 1wf5 s ALA 95 Ca 0.34 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.33 1wf5 s ALA 95 Cb 0.09 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 20.73 1wf5 s ALA 95 CO 0.17 -0.46 -0.17 0.08 0.00 0.00 0.00 175.76 175.38 1wf5 s VAL 96 N 1.60 2.77 0.17 0.00 1.01 -0.01 -0.73 120.40 125.21 1wf5 s VAL 96 Ca 0.08 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1wf5 s VAL 96 Cb -0.15 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1wf5 s VAL 96 CO 0.09 0.55 0.16 0.54 0.00 0.00 0.00 175.10 176.44 1wf5 s ASN 97 N 0.11 0.17 0.41 3.32 4.22 -1.17 -0.35 114.94 121.66 1wf5 s ASN 97 Ca -0.08 -1.17 0.29 0.00 -2.14 0.00 0.00 52.86 49.75 1wf5 s ASN 97 Cb -0.15 0.38 1.42 0.00 1.28 0.00 0.00 41.25 44.17 1wf5 s ASN 97 CO 0.05 -0.83 1.53 -0.67 -2.04 0.00 0.00 177.10 175.14 1wf5 n ASP 98 N -0.20 0.24 0.23 3.54 -0.08 -1.26 0.51 116.55 119.53 1wf5 n ASP 98 Ca -0.03 1.43 -0.12 0.00 -1.51 0.00 0.00 54.79 54.56 1wf5 n ASP 98 Cb 0.64 -0.70 -0.06 0.00 2.34 0.00 0.00 41.12 43.34 1wf5 n ASP 98 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1wf5 h VAL 99 N 0.00 0.00 0.00 5.18 2.07 -1.91 -3.49 116.25 118.10 1wf5 h VAL 99 Ca 0.85 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.37 1wf5 h VAL 99 Cb 2.62 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1wf5 h VAL 99 CO -0.54 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.66 1wf5 n GLY 100 N -1.37 -0.04 3.70 2.17 0.00 0.18 -5.07 105.19 104.76 1wf5 n GLY 100 Ca -0.08 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 1wf5 n GLY 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wf5 s LYS 101 N -2.00 4.29 0.00 1.61 2.20 -1.26 -3.04 119.74 121.54 1wf5 s LYS 101 Ca 0.00 2.08 0.00 0.00 -0.36 0.00 0.00 55.97 57.69 1wf5 s LYS 101 Cb 0.00 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1wf5 s LYS 101 CO 0.00 -0.52 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 1wf5 n GLY 102 N 3.61 1.31 3.15 5.54 0.00 0.09 -4.97 105.19 113.91 1wf5 n GLY 102 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 1wf5 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wf5 s GLN 103 N 0.32 0.77 0.14 1.61 0.00 -1.25 -4.93 119.66 116.32 1wf5 s GLN 103 Ca 0.00 -1.29 -0.07 0.00 -0.00 0.00 0.00 55.36 54.01 1wf5 s GLN 103 Cb 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 33.01 32.83 1wf5 s GLN 103 CO 0.00 -0.04 0.41 -0.06 0.00 0.00 0.00 175.29 175.60 1wf5 s PHE 104 N -3.59 3.49 0.75 9.60 0.40 -1.26 -3.48 117.98 123.89 1wf5 s PHE 104 Ca 0.10 0.67 -0.11 0.00 -0.60 0.00 0.00 56.93 56.99 1wf5 s PHE 104 Cb 0.05 -2.09 0.04 0.00 0.51 0.00 0.00 43.02 41.54 1wf5 s PHE 104 CO -0.06 0.43 1.08 -1.54 0.70 0.00 0.00 175.22 175.83 1wf5 s SER 105 N -2.25 4.79 0.92 1.36 1.04 -0.74 -4.84 113.70 113.98 1wf5 s SER 105 Ca 0.40 1.63 -0.12 0.00 0.48 0.00 0.00 55.95 58.35 1wf5 s SER 105 Cb -0.12 -2.41 0.08 0.00 0.10 0.00 0.00 66.02 63.66 1wf5 s SER 105 CO 0.22 -1.83 0.73 0.29 0.98 0.00 0.00 173.24 173.64 1wf5 n LYS 106 N -3.37 -0.30 -1.99 4.02 4.76 -1.26 -4.67 118.16 115.34 1wf5 n LYS 106 Ca 0.08 -0.03 -0.42 0.00 -2.87 0.00 0.00 58.31 55.06 1wf5 n LYS 106 Cb 0.54 -2.08 -0.03 0.00 -1.84 0.00 0.00 35.03 31.62 1wf5 n LYS 106 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1wf5 s ASP 107 N -2.23 5.76 0.28 4.39 -4.77 -1.26 -4.67 116.67 114.16 1wf5 s ASP 107 Ca 0.62 1.15 -0.27 0.00 -3.30 0.00 0.00 52.55 50.75 1wf5 s ASP 107 Cb -0.23 -2.53 -0.15 0.00 -1.09 0.00 0.00 42.92 38.93 1wf5 s ASP 107 CO 0.63 -1.84 0.79 0.35 0.70 0.00 0.00 175.17 175.79 1wf5 n THR 108 N 7.40 1.97 -1.34 2.11 -2.24 -1.04 -4.68 114.28 116.46 1wf5 n THR 108 Ca 0.23 -0.50 -0.53 0.00 -2.27 0.00 0.00 64.05 60.98 1wf5 n THR 108 Cb 0.48 -0.62 -0.07 0.00 -2.10 0.00 0.00 70.33 68.02 1wf5 n THR 108 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1wf5 n GLU 109 N 0.79 0.00 -1.30 -0.78 2.13 -1.26 -4.37 120.64 115.85 1wf5 n GLU 109 Ca 0.13 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.62 1wf5 n GLU 109 Cb 0.31 -1.30 -0.14 0.00 0.27 0.00 0.00 31.44 30.57 1wf5 n GLU 109 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1wf5 n ARG 110 N 1.68 0.00 -3.26 5.31 0.63 -1.26 -4.82 116.66 114.93 1wf5 n ARG 110 Ca 0.19 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.73 1wf5 n ARG 110 Cb 0.05 -1.21 -0.07 0.00 0.45 0.00 0.00 32.46 31.68 1wf5 n ARG 110 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1wf5 s VAL 111 N 6.16 5.11 -0.01 5.15 1.01 -1.10 -4.95 120.40 131.78 1wf5 s VAL 111 Ca 1.17 0.91 0.05 0.00 0.00 0.00 0.00 61.98 64.11 1wf5 s VAL 111 Cb -1.02 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 31.51 1wf5 s VAL 111 CO 0.44 0.18 -0.14 -0.55 0.00 0.00 0.00 175.10 175.03 1wf5 s SER 112 N 1.18 4.08 0.42 3.32 0.15 -1.26 0.14 113.70 121.73 1wf5 s SER 112 Ca 0.23 -0.26 -0.06 0.00 0.70 0.00 0.00 55.95 56.56 1wf5 s SER 112 Cb -0.15 -0.82 -0.05 0.00 -1.71 0.00 0.00 66.02 63.29 1wf5 s SER 112 CO 0.09 0.31 0.73 -0.22 1.20 0.00 0.00 173.24 175.35 1wf5 s LEU 113 N -1.08 3.77 0.13 3.45 2.96 -0.55 -4.95 118.68 122.42 1wf5 s LEU 113 Ca 0.14 0.93 -0.30 0.00 -0.22 0.00 0.00 54.13 54.68 1wf5 s LEU 113 Cb -0.11 -3.84 -0.07 0.00 0.50 0.00 0.00 46.19 42.68 1wf5 s LEU 113 CO 0.03 -0.45 1.14 -2.16 -1.32 0.00 0.00 176.35 173.59 1wf5 s PRO 114 N -4.27 4.53 0.61 0.98 0.04 -1.26 -2.51 135.00 133.12 1wf5 s PRO 114 Ca 0.48 1.74 -0.19 0.00 0.04 0.00 0.00 61.00 63.07 1wf5 s PRO 114 Cb -0.10 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 1wf5 s PRO 114 CO 0.38 -0.06 1.10 -1.91 0.04 0.00 0.00 177.00 176.55 1wf5 n GLU 115 N 2.95 1.02 0.04 4.56 2.13 -1.26 -2.99 120.64 127.08 1wf5 n GLU 115 Ca 0.05 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.27 1wf5 n GLU 115 Cb 0.46 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.86 1wf5 n GLU 115 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1wf5 n SER 116 N -1.15 -0.73 -4.66 4.31 7.64 -1.26 -4.81 113.62 112.96 1wf5 n SER 116 Ca 0.14 0.16 -0.25 0.00 1.01 0.00 0.00 58.87 59.93 1wf5 n SER 116 Cb 0.47 1.09 -0.08 0.00 -1.01 0.00 0.00 64.21 64.68 1wf5 n SER 116 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wf5 s GLY 117 N -2.01 2.15 0.23 0.23 0.00 -1.26 -5.11 107.32 101.54 1wf5 s GLY 117 Ca 0.00 -2.01 -0.30 0.00 0.00 0.00 0.00 44.72 42.41 1wf5 s GLY 117 CO 0.00 -1.91 1.10 2.56 0.00 0.00 0.00 173.10 174.85 1wf5 s PRO 118 N -3.77 4.62 -0.35 2.90 0.04 -1.26 -4.87 135.00 132.31 1wf5 s PRO 118 Ca 0.36 1.76 -0.00 0.00 0.04 0.00 0.00 61.00 63.16 1wf5 s PRO 118 Cb 0.01 -3.23 0.09 0.00 0.04 0.00 0.00 34.50 31.41 1wf5 s PRO 118 CO 0.20 0.15 0.08 -1.12 0.04 0.00 0.00 177.00 176.36 1wf5 s SER 119 N -0.50 4.97 -0.37 6.66 0.01 -1.26 -5.07 113.70 118.14 1wf5 s SER 119 Ca 0.47 -1.80 -0.16 0.00 1.31 0.00 0.00 55.95 55.77 1wf5 s SER 119 Cb -0.31 -1.73 -0.00 0.00 0.21 0.00 0.00 66.02 64.20 1wf5 s SER 119 CO 0.38 -0.40 0.40 -0.55 0.41 0.00 0.00 173.24 173.48 1wf5 s SER 120 N 1.38 6.19 0.00 2.44 0.15 -1.26 -5.22 113.70 117.38 1wf5 s SER 120 Ca 0.04 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1wf5 s SER 120 Cb -0.21 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1wf5 s SER 120 CO -0.04 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.59