#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf5 n SER 2 N 0.00 0.02 -3.74 1.61 3.41 -1.26 -5.06 113.62 108.60 1wf5 n SER 2 Ca 0.00 0.34 -0.28 0.00 -0.26 0.00 0.00 58.87 58.66 1wf5 n SER 2 Cb 0.00 0.23 -0.16 0.00 -0.26 0.00 0.00 64.21 64.02 1wf5 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wf5 s SER 3 N -5.12 3.28 -0.47 4.04 1.04 -1.26 -5.03 113.70 110.19 1wf5 s SER 3 Ca 0.00 -1.06 0.06 0.00 0.48 0.00 0.00 55.95 55.43 1wf5 s SER 3 Cb 0.00 -0.70 0.22 0.00 0.10 0.00 0.00 66.02 65.65 1wf5 s SER 3 CO 0.00 -0.33 0.72 0.61 0.98 0.00 0.00 173.24 175.22 1wf5 n GLY 4 N 4.98 0.68 3.46 7.32 0.00 -1.26 -5.15 105.19 115.23 1wf5 n GLY 4 Ca -0.07 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 1wf5 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wf5 n SER 5 N 2.00 -1.46 0.00 1.61 7.64 -1.26 -4.86 113.62 117.30 1wf5 n SER 5 Ca 0.16 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1wf5 n SER 5 Cb 0.58 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 1wf5 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wf5 n SER 6 N -3.23 -0.07 0.00 6.43 2.88 -1.26 -5.09 113.62 113.28 1wf5 n SER 6 Ca 0.05 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1wf5 n SER 6 Cb 0.55 0.51 0.00 0.00 -0.75 0.00 0.00 64.21 64.52 1wf5 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wf5 n GLY 7 N -1.01 2.24 2.04 0.46 0.00 -1.26 -4.99 105.19 102.67 1wf5 n GLY 7 Ca 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 46.02 45.32 1wf5 n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wf5 n ARG 8 N 0.00 -3.32 -3.63 1.61 0.63 -1.26 -5.09 116.66 105.60 1wf5 n ARG 8 Ca 0.00 2.61 -0.11 0.00 -0.92 0.00 0.00 57.85 59.43 1wf5 n ARG 8 Cb 0.00 -3.49 -0.07 0.00 0.45 0.00 0.00 32.46 29.35 1wf5 n ARG 8 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1wf5 s SER 9 N -0.42 -0.81 0.08 6.15 0.15 -1.26 -5.07 113.70 112.52 1wf5 s SER 9 Ca -0.08 1.43 -0.01 0.00 0.70 0.00 0.00 55.95 57.99 1wf5 s SER 9 Cb 0.01 1.40 -0.00 0.00 -1.71 0.00 0.00 66.02 65.71 1wf5 s SER 9 CO 0.22 -0.24 -0.01 0.00 1.20 0.00 0.00 173.24 174.41 1wf5 n ALA 10 N 3.37 2.91 0.01 5.45 0.00 -1.26 -5.08 120.51 125.90 1wf5 n ALA 10 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1wf5 n ALA 10 Cb 0.57 0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.24 1wf5 n ALA 10 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1wf5 n HIS 11 N -3.47 -1.44 -1.53 0.00 -0.00 -1.26 -5.13 115.22 102.39 1wf5 n HIS 11 Ca -0.01 0.05 -0.50 0.00 -0.00 0.00 0.00 57.72 57.27 1wf5 n HIS 11 Cb 0.02 0.38 -0.04 0.00 -0.00 0.00 0.00 29.99 30.35 1wf5 n HIS 11 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1wf5 n LEU 12 N -2.55 0.81 -4.63 0.27 4.32 -1.26 -4.83 117.00 109.12 1wf5 n LEU 12 Ca 0.00 1.15 -0.43 0.00 -0.02 0.00 0.00 56.01 56.71 1wf5 n LEU 12 Cb 0.00 -1.13 -0.02 0.00 -1.62 0.00 0.00 43.42 40.65 1wf5 n LEU 12 CO 0.00 -1.72 1.11 -0.13 -1.22 0.00 0.00 177.39 175.43 1wf5 s ARG 13 N -0.58 3.96 -0.22 3.23 3.00 -1.26 -5.00 118.95 122.09 1wf5 s ARG 13 Ca 0.72 1.27 -0.07 0.00 0.00 0.00 0.00 55.73 57.65 1wf5 s ARG 13 Cb -0.91 -3.85 -0.03 0.00 0.00 0.00 0.00 34.95 30.16 1wf5 s ARG 13 CO 0.54 -1.05 0.07 0.54 0.00 0.00 0.00 175.30 175.40 1wf5 s VAL 14 N 4.20 4.54 -1.02 3.52 0.11 -1.26 -5.03 120.40 125.46 1wf5 s VAL 14 Ca 0.55 -0.11 -0.22 0.00 -2.93 0.00 0.00 61.98 59.27 1wf5 s VAL 14 Cb -0.17 -3.09 0.07 0.00 -1.53 0.00 0.00 36.38 31.66 1wf5 s VAL 14 CO 0.21 0.39 1.40 -0.13 -3.33 0.00 0.00 175.10 173.64 1wf5 s ARG 15 N 1.08 3.62 0.42 1.54 0.52 -1.26 -4.15 118.95 120.72 1wf5 s ARG 15 Ca 0.04 -1.29 0.02 0.00 -0.52 0.00 0.00 55.73 53.99 1wf5 s ARG 15 Cb -0.14 -5.29 -0.00 0.00 0.52 0.00 0.00 34.95 30.04 1wf5 s ARG 15 CO 0.03 -2.13 0.61 1.14 0.02 0.00 0.00 175.30 174.98 1wf5 s GLN 16 N 4.49 3.04 0.38 3.54 -2.07 -1.26 -4.87 119.66 122.91 1wf5 s GLN 16 Ca 0.44 -0.69 -0.28 0.00 -1.82 0.00 0.00 55.36 53.01 1wf5 s GLN 16 Cb -0.01 -2.64 -0.11 0.00 -1.09 0.00 0.00 33.01 29.16 1wf5 s GLN 16 CO -0.09 -0.20 1.46 1.28 -1.32 0.00 0.00 175.29 176.42 1wf5 n LEU 17 N -1.96 4.64 -4.79 2.60 4.77 -1.26 -3.39 117.00 117.61 1wf5 n LEU 17 Ca 0.01 1.22 -0.29 0.00 -0.03 0.00 0.00 56.01 56.93 1wf5 n LEU 17 Cb 0.58 -1.60 0.12 0.00 -2.33 0.00 0.00 43.42 40.19 1wf5 n LEU 17 CO 0.45 0.06 0.71 -2.16 -1.33 0.00 0.00 177.39 175.13 1wf5 s PRO 18 N -2.09 1.44 0.47 3.23 0.04 -1.26 -4.45 135.00 132.38 1wf5 s PRO 18 Ca 0.54 0.40 0.07 0.00 0.04 0.00 0.00 61.00 62.05 1wf5 s PRO 18 Cb -0.49 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.22 1wf5 s PRO 18 CO 0.63 -2.01 0.64 -3.38 0.04 0.00 0.00 177.00 172.93 1wf5 s HIS 19 N -3.24 2.51 0.78 0.56 -3.43 -1.22 -4.07 115.29 107.19 1wf5 s HIS 19 Ca 0.63 -0.42 -0.11 0.00 -0.80 0.00 0.00 55.06 54.35 1wf5 s HIS 19 Cb -0.15 -2.40 0.06 0.00 -1.43 0.00 0.00 32.58 28.67 1wf5 s HIS 19 CO 0.53 -0.64 1.09 0.00 -2.00 0.00 0.00 174.74 173.73 1wf5 s ALA 20 N -2.47 2.29 0.56 -1.38 0.00 -1.24 -4.15 121.76 115.37 1wf5 s ALA 20 Ca 0.57 -0.13 -0.17 0.00 0.00 0.00 0.00 51.96 52.23 1wf5 s ALA 20 Cb -0.09 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 1wf5 s ALA 20 CO 0.35 -1.67 1.05 -1.25 0.00 0.00 0.00 175.76 174.23 1wf5 s PRO 21 N -5.11 3.48 0.57 0.00 0.04 -1.26 -4.63 135.00 128.08 1wf5 s PRO 21 Ca 0.60 1.20 0.07 0.00 0.04 0.00 0.00 61.00 62.92 1wf5 s PRO 21 Cb -0.15 -2.06 0.07 0.00 0.04 0.00 0.00 34.50 32.41 1wf5 s PRO 21 CO 0.55 -0.68 0.60 -1.21 0.04 0.00 0.00 177.00 176.30 1wf5 s GLU 22 N -3.92 2.25 -1.03 4.56 2.02 -1.23 -4.59 118.70 116.76 1wf5 s GLU 22 Ca 0.64 -1.87 -0.17 0.00 0.02 0.00 0.00 54.97 53.58 1wf5 s GLU 22 Cb -0.15 -2.35 0.02 0.00 0.10 0.00 0.00 34.13 31.75 1wf5 s GLU 22 CO 0.33 -0.78 0.32 1.58 0.02 0.00 0.00 175.26 176.74 1wf5 n HIS 23 N -2.02 -1.01 -2.33 1.61 -0.00 -1.26 0.21 115.22 110.42 1wf5 n HIS 23 Ca 0.07 0.20 -0.36 0.00 0.46 0.00 0.00 57.72 58.09 1wf5 n HIS 23 Cb 0.63 -2.12 -0.03 0.00 -0.12 0.00 0.00 29.99 28.35 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 -6.72 3.25 0.01 1.57 0.04 -1.26 -3.81 135.00 128.08 1wf5 s PRO 24 Ca 0.24 -1.58 -0.06 0.00 0.04 0.00 0.00 61.00 59.64 1wf5 s PRO 24 Cb -0.13 -5.39 -0.05 0.00 0.04 0.00 0.00 34.50 28.97 1wf5 s PRO 24 CO 0.76 -3.10 0.26 0.08 0.04 0.00 0.00 177.00 175.04 1wf5 s VAL 25 N 7.57 5.31 -0.16 -0.36 1.01 0.77 -4.23 120.40 130.31 1wf5 s VAL 25 Ca 0.61 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.69 1wf5 s VAL 25 Cb 0.02 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 32.89 1wf5 s VAL 25 CO 0.10 0.36 0.10 0.00 0.00 0.00 0.00 175.10 175.66 1wf5 s ALA 26 N -1.30 0.36 0.19 5.51 0.00 -1.26 -0.34 121.76 124.91 1wf5 s ALA 26 Ca 0.27 -0.22 0.11 0.00 0.00 0.00 0.00 51.96 52.13 1wf5 s ALA 26 Cb -0.13 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1wf5 s ALA 26 CO 0.16 -1.11 -0.24 0.95 0.00 0.00 0.00 175.76 175.52 1wf5 s THR 27 N 2.15 2.37 0.92 0.00 -4.23 -0.68 -4.63 115.64 111.55 1wf5 s THR 27 Ca 0.03 -1.99 -0.12 0.00 -1.18 0.00 0.00 61.69 58.42 1wf5 s THR 27 Cb -0.16 -2.13 0.14 0.00 1.34 0.00 0.00 72.50 71.70 1wf5 s THR 27 CO -0.09 -0.10 1.14 -0.76 -0.54 0.00 0.00 174.62 174.28 1wf5 s LEU 28 N -2.61 2.00 -0.23 4.79 1.43 -1.26 0.25 118.68 123.05 1wf5 s LEU 28 Ca 0.20 0.94 -0.18 0.00 -1.03 0.00 0.00 54.13 54.07 1wf5 s LEU 28 Cb -0.08 -3.25 -0.03 0.00 0.03 0.00 0.00 46.19 42.86 1wf5 s LEU 28 CO 0.10 -2.58 0.49 -0.44 0.23 0.00 0.00 176.35 174.15 1wf5 s SER 29 N -4.05 6.48 -0.20 2.29 0.01 0.50 -4.30 113.70 114.42 1wf5 s SER 29 Ca 0.64 0.57 0.05 0.00 1.31 0.00 0.00 55.95 58.52 1wf5 s SER 29 Cb -0.14 -2.27 0.42 0.00 0.21 0.00 0.00 66.02 64.23 1wf5 s SER 29 CO 0.53 -0.21 1.38 0.35 0.41 0.00 0.00 173.24 175.71 1wf5 n THR 30 N 4.78 1.95 0.00 1.44 -2.24 -1.26 -4.16 114.28 114.79 1wf5 n THR 30 Ca -0.05 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.77 1wf5 n THR 30 Cb 0.50 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1wf5 n THR 30 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1wf5 n VAL 31 N -0.08 0.00 -3.17 2.28 0.31 -1.26 -5.08 118.33 111.33 1wf5 n VAL 31 Ca 0.26 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.19 1wf5 n VAL 31 Cb 1.00 -0.20 -0.06 0.00 -0.91 0.00 0.00 33.84 33.66 1wf5 n VAL 31 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1wf5 s GLU 32 N -1.82 4.17 0.20 5.55 0.41 -1.26 -5.03 118.70 120.91 1wf5 s GLU 32 Ca 0.00 0.51 -0.30 0.00 -0.41 0.00 0.00 54.97 54.77 1wf5 s GLU 32 Cb 0.00 -3.60 -0.09 0.00 -1.78 0.00 0.00 34.13 28.66 1wf5 s GLU 32 CO 0.00 -0.26 1.33 1.03 -0.49 0.00 0.00 175.26 176.87 1wf5 s ARG 33 N 2.00 4.37 -1.23 1.61 1.81 -1.26 -3.09 118.95 123.16 1wf5 s ARG 33 Ca 0.26 2.09 -0.01 0.00 -1.72 0.00 0.00 55.73 56.35 1wf5 s ARG 33 Cb -0.16 -3.19 -0.01 0.00 -0.45 0.00 0.00 34.95 31.15 1wf5 s ARG 33 CO 0.10 -0.29 0.86 0.54 -0.68 0.00 0.00 175.30 175.83 1wf5 n ARG 34 N 2.69 -5.42 -3.75 3.54 1.74 -1.26 -4.80 116.66 109.40 1wf5 n ARG 34 Ca 0.07 0.75 -0.13 0.00 -0.77 0.00 0.00 57.85 57.77 1wf5 n ARG 34 Cb 0.42 -5.53 -0.13 0.00 -1.02 0.00 0.00 32.46 26.20 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 -3.49 -0.48 -0.02 7.54 0.00 -1.18 -2.03 121.76 122.10 1wf5 s ALA 35 Ca 0.05 0.83 0.05 0.00 0.00 0.00 0.00 51.96 52.89 1wf5 s ALA 35 Cb -0.01 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 1wf5 s ALA 35 CO 0.77 -0.17 -0.15 0.42 0.00 0.00 0.00 175.76 176.64 1wf5 s ILE 36 N 0.99 3.03 -0.43 0.00 1.01 -0.80 0.19 121.20 125.19 1wf5 s ILE 36 Ca -0.07 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.61 1wf5 s ILE 36 Cb -0.09 -2.22 0.07 0.00 0.01 0.00 0.00 42.46 40.23 1wf5 s ILE 36 CO -0.06 0.51 0.29 0.20 0.00 0.00 0.00 174.94 175.87 1wf5 s ASN 37 N -0.98 5.79 0.11 3.58 0.01 0.69 -1.18 114.94 122.95 1wf5 s ASN 37 Ca 0.13 -1.38 -0.20 0.00 -0.71 0.00 0.00 52.86 50.69 1wf5 s ASN 37 Cb -0.11 -2.05 -0.07 0.00 0.41 0.00 0.00 41.25 39.44 1wf5 s ASN 37 CO 0.02 -0.55 0.62 -0.22 -1.51 0.00 0.00 177.10 175.47 1wf5 s LEU 38 N 1.50 4.51 -0.08 0.60 2.96 0.64 -1.68 118.68 127.14 1wf5 s LEU 38 Ca 0.03 1.34 -0.03 0.00 -0.22 0.00 0.00 54.13 55.25 1wf5 s LEU 38 Cb -0.23 -3.06 0.05 0.00 0.50 0.00 0.00 46.19 43.45 1wf5 s LEU 38 CO 0.04 0.23 0.16 0.42 -1.32 0.00 0.00 176.35 175.88 1wf5 s THR 39 N -1.18 -0.22 0.28 3.68 -4.23 0.53 -2.08 115.64 112.43 1wf5 s THR 39 Ca 0.32 0.31 0.02 0.00 -1.18 0.00 0.00 61.69 61.16 1wf5 s THR 39 Cb -0.20 -0.29 -0.05 0.00 1.34 0.00 0.00 72.50 73.31 1wf5 s THR 39 CO 0.21 0.13 0.11 -1.66 -0.54 0.00 0.00 174.62 172.87 1wf5 s TRP 40 N 2.04 1.59 0.33 3.99 -2.14 0.11 -0.16 118.94 124.70 1wf5 s TRP 40 Ca 0.00 -1.22 0.00 0.00 2.66 0.00 0.00 56.10 57.54 1wf5 s TRP 40 Cb -0.12 -0.93 -0.04 0.00 -3.10 0.00 0.00 33.47 29.29 1wf5 s TRP 40 CO -0.06 -0.36 0.53 0.99 -2.66 0.00 0.00 176.95 175.40 1wf5 s THR 41 N -3.67 5.11 -0.34 0.66 2.01 0.13 -4.70 115.64 114.85 1wf5 s THR 41 Ca 0.37 -0.42 -0.29 0.00 0.31 0.00 0.00 61.69 61.66 1wf5 s THR 41 Cb 0.07 -3.84 0.01 0.00 0.01 0.00 0.00 72.50 68.74 1wf5 s THR 41 CO 0.15 -0.50 1.32 -0.75 -0.69 0.00 0.00 174.62 174.14 1wf5 s LYS 42 N -4.17 3.81 0.54 4.92 2.36 -1.26 -3.56 119.74 122.38 1wf5 s LYS 42 Ca 0.40 1.12 -0.18 0.00 -2.55 0.00 0.00 55.97 54.76 1wf5 s LYS 42 Cb -0.10 -3.92 -0.06 0.00 -1.05 0.00 0.00 37.83 32.70 1wf5 s LYS 42 CO 0.35 -1.26 1.04 -1.25 1.55 0.00 0.00 175.35 175.78 1wf5 s PRO 43 N 4.39 3.60 0.68 4.03 0.04 -1.26 -4.88 135.00 141.60 1wf5 s PRO 43 Ca 0.57 1.25 -0.16 0.00 0.04 0.00 0.00 61.00 62.70 1wf5 s PRO 43 Cb -0.15 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.33 1wf5 s PRO 43 CO 0.26 -0.59 1.19 0.12 0.04 0.00 0.00 177.00 178.02 1wf5 s PHE 44 N -2.25 2.24 -0.20 0.56 2.19 -1.26 -4.91 117.98 114.34 1wf5 s PHE 44 Ca 0.65 1.57 -0.02 0.00 0.33 0.00 0.00 56.93 59.46 1wf5 s PHE 44 Cb -0.16 -3.42 0.00 0.00 -1.31 0.00 0.00 43.02 38.14 1wf5 s PHE 44 CO 0.29 -2.34 -0.11 0.16 1.83 0.00 0.00 175.22 175.04 1wf5 s ASP 45 N -2.02 3.81 0.22 6.13 -4.77 -1.26 -3.37 116.67 115.41 1wf5 s ASP 45 Ca 0.74 -0.49 -0.05 0.00 -3.30 0.00 0.00 52.55 49.45 1wf5 s ASP 45 Cb -0.28 -1.63 0.39 0.00 -1.09 0.00 0.00 42.92 40.31 1wf5 s ASP 45 CO 0.41 0.00 1.20 0.61 0.70 0.00 0.00 175.17 178.09 1wf5 n GLY 46 N 4.64 -1.26 0.00 2.12 0.00 -1.22 -4.29 105.19 105.19 1wf5 n GLY 46 Ca -0.19 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1wf5 n GLY 46 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wf5 n ASN 47 N -5.23 0.00 -3.60 1.61 2.85 -1.26 -4.32 115.26 105.31 1wf5 n ASN 47 Ca 0.13 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.47 1wf5 n ASN 47 Cb 0.41 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.38 1wf5 n ASN 47 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1wf5 s SER 48 N 0.00 -0.37 -0.19 1.20 0.15 -1.26 -4.67 113.70 108.56 1wf5 s SER 48 Ca 0.00 0.04 -0.29 0.00 0.70 0.00 0.00 55.95 56.40 1wf5 s SER 48 Cb 0.00 0.47 -0.01 0.00 -1.71 0.00 0.00 66.02 64.77 1wf5 s SER 48 CO 0.00 -0.74 1.29 -2.16 1.20 0.00 0.00 173.24 172.83 1wf5 s PRO 49 N -2.72 4.15 0.34 5.44 0.04 -1.26 -4.77 135.00 136.22 1wf5 s PRO 49 Ca -0.04 1.58 -0.22 0.00 0.04 0.00 0.00 61.00 62.36 1wf5 s PRO 49 Cb -0.00 -3.80 -0.16 0.00 0.04 0.00 0.00 34.50 30.58 1wf5 s PRO 49 CO -0.04 -0.82 0.19 1.28 0.04 0.00 0.00 177.00 177.65 1wf5 n LEU 50 N 6.89 -2.40 -0.11 -3.56 4.77 -1.26 -4.49 117.00 116.84 1wf5 n LEU 50 Ca 0.14 0.86 -0.19 0.00 -0.03 0.00 0.00 56.01 56.80 1wf5 n LEU 50 Cb 0.45 -0.87 -0.06 0.00 -2.33 0.00 0.00 43.42 40.60 1wf5 n LEU 50 CO 0.58 -3.79 -1.02 -0.38 -1.33 0.00 0.00 177.39 171.45 1wf5 n ILE 51 N -0.74 1.51 -3.37 -0.08 5.41 0.79 -4.66 119.36 118.22 1wf5 n ILE 51 Ca 0.13 -0.10 -0.01 0.00 1.00 0.00 0.00 62.75 63.76 1wf5 n ILE 51 Cb 0.35 -2.13 0.01 0.00 -0.71 0.00 0.00 39.64 37.16 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 -4.37 0.21 -3.96 0.38 1.85 0.23 -3.76 116.66 107.24 1wf5 n ARG 52 Ca -0.33 -0.43 -0.09 0.00 -1.00 0.00 0.00 57.85 56.00 1wf5 n ARG 52 Cb 0.68 0.56 -0.11 0.00 -1.05 0.00 0.00 32.46 32.54 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 -6.19 0.21 -0.36 2.89 1.51 -1.20 -1.26 117.35 112.95 1wf5 s TYR 53 Ca 0.05 -0.45 -0.06 0.00 -1.01 0.00 0.00 57.07 55.60 1wf5 s TYR 53 Cb -0.01 -0.16 0.06 0.00 -0.11 0.00 0.00 41.96 41.74 1wf5 s TYR 53 CO 0.02 -0.21 0.14 0.42 -1.11 0.00 0.00 175.55 174.81 1wf5 s ILE 54 N -1.44 3.78 -0.29 2.71 1.01 -1.24 -3.54 121.20 122.18 1wf5 s ILE 54 Ca -0.16 -1.29 -0.24 0.00 0.00 0.00 0.00 60.65 58.96 1wf5 s ILE 54 Cb -0.09 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.15 1wf5 s ILE 54 CO -0.00 -0.29 0.81 -0.22 0.00 0.00 0.00 174.94 175.23 1wf5 s LEU 55 N 1.37 4.08 -0.16 2.97 0.20 -0.93 -3.13 118.68 123.08 1wf5 s LEU 55 Ca 0.00 0.76 -0.01 0.00 0.69 0.00 0.00 54.13 55.57 1wf5 s LEU 55 Cb -0.21 -3.12 -0.01 0.00 -0.43 0.00 0.00 46.19 42.42 1wf5 s LEU 55 CO 0.02 -0.61 -0.11 -1.61 -0.29 0.00 0.00 176.35 173.75 1wf5 s GLU 56 N 2.97 3.37 -0.05 1.98 2.02 -0.40 0.96 118.70 129.55 1wf5 s GLU 56 Ca 0.33 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.67 1wf5 s GLU 56 Cb -0.14 -2.73 -0.03 0.00 0.10 0.00 0.00 34.13 31.33 1wf5 s GLU 56 CO 0.12 0.09 -0.07 1.41 0.02 0.00 0.00 175.26 176.82 1wf5 s MET 57 N 0.68 2.70 -0.32 1.61 -2.45 -0.88 -0.78 119.30 119.85 1wf5 s MET 57 Ca -0.06 -0.59 0.02 0.00 -1.25 0.00 0.00 55.69 53.81 1wf5 s MET 57 Cb -0.15 -2.56 0.10 0.00 1.25 0.00 0.00 34.83 33.46 1wf5 s MET 57 CO 0.02 0.65 0.06 0.45 1.05 0.00 0.00 175.02 177.26 1wf5 s SER 58 N -0.93 4.41 0.02 1.11 0.15 0.45 -0.49 113.70 118.42 1wf5 s SER 58 Ca 0.13 -1.89 0.00 0.00 0.70 0.00 0.00 55.95 54.90 1wf5 s SER 58 Cb -0.11 -1.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.92 1wf5 s SER 58 CO 0.03 -0.39 0.00 1.21 1.20 0.00 0.00 173.24 175.29 1wf5 n GLU 59 N 4.52 0.95 -1.55 5.44 2.13 -1.25 -1.33 120.64 129.55 1wf5 n GLU 59 Ca 0.01 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.52 1wf5 n GLU 59 Cb 0.42 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.09 1wf5 n GLU 59 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1wf5 n ASN 60 N -0.07 2.12 -1.54 4.31 3.02 -1.23 -1.41 115.26 120.46 1wf5 n ASN 60 Ca 0.00 -0.73 -0.19 0.00 -0.03 0.00 0.00 54.58 53.63 1wf5 n ASN 60 Cb 0.00 -1.58 -0.08 0.00 -0.61 0.00 0.00 39.78 37.51 1wf5 n ASN 60 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wf5 n ASN 61 N 16.44 -4.95 -4.83 6.41 4.13 -1.26 -4.93 115.26 126.27 1wf5 n ASN 61 Ca 0.40 0.46 -0.33 0.00 1.68 0.00 0.00 54.58 56.79 1wf5 n ASN 61 Cb 0.51 -4.41 -0.06 0.00 -1.54 0.00 0.00 39.78 34.27 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 -2.59 3.23 0.32 5.41 0.00 -0.50 -5.04 121.76 122.60 1wf5 s ALA 62 Ca 0.00 0.21 -0.27 0.00 0.00 0.00 0.00 51.96 51.90 1wf5 s ALA 62 Cb 0.00 -2.93 -0.09 0.00 0.00 0.00 0.00 23.12 20.09 1wf5 s ALA 62 CO 0.00 0.25 1.07 -1.25 0.00 0.00 0.00 175.76 175.83 1wf5 s PRO 63 N -2.86 4.46 -0.35 0.00 0.04 -1.26 -3.97 135.00 131.06 1wf5 s PRO 63 Ca 0.55 1.67 -0.42 0.00 0.04 0.00 0.00 61.00 62.84 1wf5 s PRO 63 Cb -0.11 -2.94 -0.17 0.00 0.04 0.00 0.00 34.50 31.32 1wf5 s PRO 63 CO 0.17 0.09 1.72 0.91 0.04 0.00 0.00 177.00 179.93 1wf5 n TRP 64 N 0.71 1.96 -4.07 0.56 5.03 -1.26 -4.68 117.44 115.69 1wf5 n TRP 64 Ca 0.01 0.71 -0.32 0.00 3.03 0.00 0.00 57.50 60.93 1wf5 n TRP 64 Cb 0.47 -2.39 -0.15 0.00 -1.03 0.00 0.00 31.31 28.20 1wf5 n TRP 64 CO 0.00 0.00 0.00 -0.08 -0.03 0.00 0.00 177.69 177.58 1wf5 s THR 65 N 3.50 2.19 -0.23 -0.99 -1.32 0.35 -4.87 115.64 114.27 1wf5 s THR 65 Ca 1.01 -1.50 -0.33 0.00 -1.21 0.00 0.00 61.69 59.66 1wf5 s THR 65 Cb -1.20 -2.22 -0.10 0.00 -1.51 0.00 0.00 72.50 67.47 1wf5 s THR 65 CO 0.70 0.07 2.09 0.52 -2.21 0.00 0.00 174.62 175.80 1wf5 n VAL 66 N 4.47 0.36 -0.04 5.08 0.31 -1.26 -2.06 118.33 125.20 1wf5 n VAL 66 Ca -0.15 -0.26 -0.02 0.00 -0.01 0.00 0.00 64.34 63.90 1wf5 n VAL 66 Cb 0.44 -1.97 -0.01 0.00 -0.91 0.00 0.00 33.84 31.39 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 12.00 0.00 -8.25 7.52 3.38 0.22 -3.45 115.31 126.73 1wf5 h LEU 67 Ca -0.38 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 56.89 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 0.98 0.38 -0.58 -0.22 0.09 0.00 0.00 178.44 179.08 1wf5 s LEU 68 N -6.59 4.39 0.02 1.67 0.20 -1.22 -4.94 118.68 112.21 1wf5 s LEU 68 Ca -0.06 -1.08 -0.15 0.00 0.69 0.00 0.00 54.13 53.54 1wf5 s LEU 68 Cb 0.01 -1.91 -0.35 0.00 -0.43 0.00 0.00 46.19 43.51 1wf5 s LEU 68 CO 0.08 -0.33 0.94 0.00 -0.29 0.00 0.00 176.35 176.75 1wf5 h ALA 69 N 8.27 -0.10 -2.33 5.97 0.00 -1.87 -2.47 119.26 126.74 1wf5 h ALA 69 Ca -0.24 -0.92 -0.75 0.00 0.00 0.00 0.00 54.91 53.00 1wf5 h ALA 69 Cb 1.09 0.23 -0.26 0.00 0.00 0.00 0.00 17.79 18.85 1wf5 h ALA 69 CO 0.62 0.77 -0.27 0.45 0.00 0.00 0.00 179.25 180.81 1wf5 s SER 70 N -7.53 6.02 0.15 0.00 0.15 -1.26 -4.56 113.70 106.67 1wf5 s SER 70 Ca -0.10 -1.88 0.11 0.00 0.70 0.00 0.00 55.95 54.78 1wf5 s SER 70 Cb 0.04 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 62.18 1wf5 s SER 70 CO 0.93 -0.78 -0.26 -0.69 1.20 0.00 0.00 173.24 173.63 1wf5 s VAL 71 N 1.44 2.28 0.32 4.45 1.01 -1.23 -4.96 120.40 123.71 1wf5 s VAL 71 Ca 0.05 -1.84 -0.29 0.00 0.00 0.00 0.00 61.98 59.90 1wf5 s VAL 71 Cb -0.28 -2.03 -0.10 0.00 0.00 0.00 0.00 36.38 33.97 1wf5 s VAL 71 CO 0.01 0.03 1.21 -1.81 0.00 0.00 0.00 175.10 174.54 1wf5 s ASP 72 N -2.23 6.95 0.27 3.32 1.11 -1.26 -3.26 116.67 121.56 1wf5 s ASP 72 Ca 0.16 2.48 0.13 0.00 0.18 0.00 0.00 52.55 55.50 1wf5 s ASP 72 Cb -0.09 -2.64 0.30 0.00 1.07 0.00 0.00 42.92 41.56 1wf5 s ASP 72 CO 0.07 -0.39 1.56 1.55 1.18 0.00 0.00 175.17 179.14 1wf5 h PRO 73 N 3.48 0.00 -0.65 8.23 0.13 -1.83 -2.78 132.00 138.58 1wf5 h PRO 73 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wf5 h PRO 73 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wf5 h PRO 73 CO 0.66 0.60 0.00 1.63 -0.23 0.00 0.00 178.00 180.66 1wf5 n LYS 74 N -3.54 3.05 -4.07 0.86 5.02 -1.26 -4.85 118.16 113.36 1wf5 n LYS 74 Ca -0.00 -1.92 -0.35 0.00 -2.02 0.00 0.00 58.31 54.02 1wf5 n LYS 74 Cb 0.67 -1.79 -0.09 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.88 3.41 0.00 7.82 0.00 -1.05 -4.96 121.76 125.11 1wf5 s ALA 75 Ca 0.34 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1wf5 s ALA 75 Cb 0.23 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.52 1wf5 s ALA 75 CO 0.14 0.29 0.61 0.25 0.00 0.00 0.00 175.76 177.05 1wf5 n THR 76 N 3.15 0.23 -3.83 0.00 -2.24 -1.26 -4.91 114.28 105.42 1wf5 n THR 76 Ca -0.17 -0.61 -0.12 0.00 -2.27 0.00 0.00 64.05 60.88 1wf5 n THR 76 Cb 0.53 0.90 -0.11 0.00 -2.10 0.00 0.00 70.33 69.55 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 -0.23 -0.10 0.06 3.42 1.04 -1.26 0.05 113.70 116.68 1wf5 s SER 77 Ca 0.00 0.09 -0.07 0.00 0.48 0.00 0.00 55.95 56.45 1wf5 s SER 77 Cb 0.00 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 1wf5 s SER 77 CO 0.00 -0.23 0.14 0.54 0.98 0.00 0.00 173.24 174.67 1wf5 s VAL 78 N -0.68 0.14 -0.10 5.02 0.11 -0.88 -4.97 120.40 119.04 1wf5 s VAL 78 Ca -0.08 -1.13 -0.01 0.00 -2.93 0.00 0.00 61.98 57.83 1wf5 s VAL 78 Cb -0.04 -1.10 -0.03 0.00 -1.53 0.00 0.00 36.38 33.68 1wf5 s VAL 78 CO 0.01 -0.63 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.21 1wf5 s THR 79 N -3.12 3.76 -0.43 5.04 2.01 -1.26 -0.26 115.64 121.38 1wf5 s THR 79 Ca -0.01 -0.44 -0.06 0.00 0.31 0.00 0.00 61.69 61.50 1wf5 s THR 79 Cb 0.02 -2.57 0.11 0.00 0.01 0.00 0.00 72.50 70.06 1wf5 s THR 79 CO -0.07 0.56 0.25 -0.69 -0.69 0.00 0.00 174.62 173.99 1wf5 s VAL 80 N -0.40 3.67 0.13 3.82 1.01 -0.32 -4.92 120.40 123.39 1wf5 s VAL 80 Ca 0.06 -1.90 -0.02 0.00 0.00 0.00 0.00 61.98 60.12 1wf5 s VAL 80 Cb -0.12 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 1wf5 s VAL 80 CO 0.02 -0.70 0.32 -0.54 0.00 0.00 0.00 175.10 174.20 1wf5 s LYS 81 N 1.24 3.53 0.00 2.72 1.02 -1.26 -1.90 119.74 125.08 1wf5 s LYS 81 Ca 0.07 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 55.77 1wf5 s LYS 81 Cb -0.24 -2.92 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 1wf5 s LYS 81 CO -0.02 0.51 0.00 0.41 -0.92 0.00 0.00 175.35 175.32 1wf5 n GLY 82 N -0.03 -0.10 3.45 -3.33 0.00 -0.86 -5.01 105.19 99.31 1wf5 n GLY 82 Ca -0.04 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.86 2.53 0.06 0.99 1.43 -1.25 -5.08 118.68 115.50 1wf5 s LEU 83 Ca 0.00 -0.96 -0.23 0.00 -1.03 0.00 0.00 54.13 51.91 1wf5 s LEU 83 Cb 0.00 -1.13 -0.06 0.00 0.03 0.00 0.00 46.19 45.03 1wf5 s LEU 83 CO 0.00 0.07 0.69 -0.69 0.23 0.00 0.00 176.35 176.65 1wf5 s VAL 84 N -2.17 4.71 0.27 -1.59 1.01 -1.26 -4.91 120.40 116.46 1wf5 s VAL 84 Ca 0.26 1.48 -0.30 0.00 0.00 0.00 0.00 61.98 63.43 1wf5 s VAL 84 Cb -0.06 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 1wf5 s VAL 84 CO 0.13 0.44 1.08 -2.16 0.00 0.00 0.00 175.10 174.59 1wf5 s PRO 85 N -0.46 4.66 -0.98 2.72 0.04 -1.26 -3.53 135.00 136.19 1wf5 s PRO 85 Ca 0.34 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 63.14 1wf5 s PRO 85 Cb -0.20 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1wf5 s PRO 85 CO 0.21 0.23 0.83 0.00 0.04 0.00 0.00 177.00 178.32 1wf5 n ALA 86 N 1.29 -1.53 -3.18 8.56 0.00 -1.15 -4.81 120.51 119.69 1wf5 n ALA 86 Ca -0.01 0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 1wf5 n ALA 86 Cb 0.45 -2.46 -0.10 0.00 0.00 0.00 0.00 19.45 17.34 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 -5.25 0.53 0.35 0.00 0.52 -1.23 -4.92 118.95 108.94 1wf5 s ARG 87 Ca 0.08 -0.10 -0.18 0.00 -0.52 0.00 0.00 55.73 55.01 1wf5 s ARG 87 Cb -0.03 0.23 -0.10 0.00 0.52 0.00 0.00 34.95 35.57 1wf5 s ARG 87 CO 0.59 -0.13 0.82 0.45 0.02 0.00 0.00 175.30 177.05 1wf5 s SER 88 N -0.96 6.91 -0.10 0.23 0.15 -1.26 0.54 113.70 119.22 1wf5 s SER 88 Ca -0.10 1.48 -0.04 0.00 0.70 0.00 0.00 55.95 57.98 1wf5 s SER 88 Cb -0.05 -2.45 0.05 0.00 -1.71 0.00 0.00 66.02 61.86 1wf5 s SER 88 CO 0.02 -0.22 0.21 -0.31 1.20 0.00 0.00 173.24 174.15 1wf5 s TYR 89 N -1.96 -0.28 -0.08 3.44 2.02 0.32 -3.55 117.35 117.27 1wf5 s TYR 89 Ca 0.55 0.72 0.03 0.00 -0.37 0.00 0.00 57.07 58.00 1wf5 s TYR 89 Cb -0.11 -0.06 -0.02 0.00 -0.40 0.00 0.00 41.96 41.37 1wf5 s TYR 89 CO 0.17 -0.25 -0.16 -0.65 -1.57 0.00 0.00 175.55 173.09 1wf5 s GLN 90 N 1.69 2.79 0.27 -0.62 -0.21 -0.44 -2.73 119.66 120.40 1wf5 s GLN 90 Ca -0.05 -0.73 0.12 0.00 0.02 0.00 0.00 55.36 54.73 1wf5 s GLN 90 Cb -0.11 -2.42 -0.05 0.00 1.00 0.00 0.00 33.01 31.42 1wf5 s GLN 90 CO -0.07 0.46 -0.19 -0.06 -2.12 0.00 0.00 175.29 173.31 1wf5 s PHE 91 N -0.30 2.32 -0.30 0.91 0.08 -1.26 0.17 117.98 119.60 1wf5 s PHE 91 Ca 0.02 -0.32 -0.18 0.00 0.12 0.00 0.00 56.93 56.56 1wf5 s PHE 91 Cb -0.13 -1.02 0.19 0.00 -0.57 0.00 0.00 43.02 41.49 1wf5 s PHE 91 CO 0.03 0.70 1.24 -0.98 -0.10 0.00 0.00 175.22 176.11 1wf5 s ARG 92 N -3.47 0.06 0.36 0.44 1.70 0.04 -3.23 118.95 114.84 1wf5 s ARG 92 Ca 0.30 0.13 0.09 0.00 -0.47 0.00 0.00 55.73 55.77 1wf5 s ARG 92 Cb -0.05 0.08 -0.06 0.00 -0.57 0.00 0.00 34.95 34.35 1wf5 s ARG 92 CO 0.15 -0.03 0.03 -0.48 -1.08 0.00 0.00 175.30 173.89 1wf5 s LEU 93 N 2.40 2.98 0.39 -1.89 2.34 -1.26 -1.27 118.68 122.37 1wf5 s LEU 93 Ca -0.03 -1.05 0.04 0.00 0.06 0.00 0.00 54.13 53.15 1wf5 s LEU 93 Cb -0.04 -1.30 -0.04 0.00 -0.56 0.00 0.00 46.19 44.25 1wf5 s LEU 93 CO -0.13 -0.30 0.10 0.00 -1.06 0.00 0.00 176.35 174.95 1wf5 s ALA 95 N -3.22 3.65 -0.13 0.00 0.00 -1.22 -3.68 121.76 117.15 1wf5 s ALA 95 Ca 0.26 -0.60 -0.00 0.00 0.00 0.00 0.00 51.96 51.62 1wf5 s ALA 95 Cb 0.04 -2.27 0.02 0.00 0.00 0.00 0.00 23.12 20.92 1wf5 s ALA 95 CO 0.14 0.12 -0.11 0.08 0.00 0.00 0.00 175.76 175.99 1wf5 s VAL 96 N 0.44 1.29 0.30 0.00 1.01 -0.39 -1.39 120.40 121.66 1wf5 s VAL 96 Ca 0.11 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1wf5 s VAL 96 Cb -0.12 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1wf5 s VAL 96 CO 0.00 0.40 0.11 0.54 0.00 0.00 0.00 175.10 176.15 1wf5 s ASN 97 N 1.60 1.71 0.34 3.32 4.22 -1.19 -0.15 114.94 124.79 1wf5 s ASN 97 Ca 0.05 -1.46 0.16 0.00 -2.14 0.00 0.00 52.86 49.47 1wf5 s ASN 97 Cb -0.13 0.21 1.16 0.00 1.28 0.00 0.00 41.25 43.78 1wf5 s ASN 97 CO -0.09 -0.77 1.50 -0.67 -2.04 0.00 0.00 177.10 175.03 1wf5 n ASP 98 N -0.73 0.24 0.11 3.54 2.03 -1.26 0.30 116.55 120.77 1wf5 n ASP 98 Ca -0.01 1.59 -0.09 0.00 0.52 0.00 0.00 54.79 56.80 1wf5 n ASP 98 Cb 0.66 -0.73 -0.05 0.00 -0.72 0.00 0.00 41.12 40.28 1wf5 n ASP 98 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1wf5 h VAL 99 N 0.00 0.00 0.00 5.18 2.07 -1.91 -3.49 116.25 118.11 1wf5 h VAL 99 Ca 0.76 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.28 1wf5 h VAL 99 Cb 1.93 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1wf5 h VAL 99 CO -0.77 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.43 1wf5 n GLY 100 N -1.27 -2.67 3.76 2.17 0.00 0.15 -5.01 105.19 102.31 1wf5 n GLY 100 Ca -0.05 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.98 4.43 0.00 1.61 2.20 -1.26 -3.19 119.74 121.54 1wf5 s LYS 101 Ca 0.00 2.07 0.00 0.00 -0.36 0.00 0.00 55.97 57.68 1wf5 s LYS 101 Cb 0.00 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 1wf5 s LYS 101 CO 0.00 -0.11 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 1wf5 n GLY 102 N 1.37 0.35 3.27 5.54 0.00 -0.48 -4.86 105.19 110.37 1wf5 n GLY 102 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 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 2.27 1.11 0.21 1.61 -2.07 -1.26 -4.94 119.66 116.59 1wf5 s GLN 103 Ca 0.00 -1.44 0.02 0.00 -1.82 0.00 0.00 55.36 52.11 1wf5 s GLN 103 Cb 0.00 -0.78 -0.04 0.00 -1.09 0.00 0.00 33.01 31.11 1wf5 s GLN 103 CO 0.00 0.12 0.37 -0.06 -1.32 0.00 0.00 175.29 174.39 1wf5 s PHE 104 N -3.04 3.48 0.60 9.60 0.40 -1.26 -3.40 117.98 124.36 1wf5 s PHE 104 Ca 0.16 0.20 -0.13 0.00 -0.60 0.00 0.00 56.93 56.56 1wf5 s PHE 104 Cb 0.00 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 1wf5 s PHE 104 CO 0.02 0.41 1.02 -1.54 0.70 0.00 0.00 175.22 175.84 1wf5 s SER 105 N -3.43 6.20 0.95 1.36 1.04 -0.12 -4.82 113.70 114.88 1wf5 s SER 105 Ca 0.36 1.52 -0.10 0.00 0.48 0.00 0.00 55.95 58.21 1wf5 s SER 105 Cb -0.10 -2.49 0.16 0.00 0.10 0.00 0.00 66.02 63.69 1wf5 s SER 105 CO 0.30 -0.89 1.13 -0.54 0.98 0.00 0.00 173.24 174.22 1wf5 s LYS 106 N -4.74 0.75 -0.23 4.02 3.01 -1.26 -4.61 119.74 116.67 1wf5 s LYS 106 Ca 0.57 1.48 -0.29 0.00 -1.01 0.00 0.00 55.97 56.73 1wf5 s LYS 106 Cb -0.11 -1.70 -0.04 0.00 -1.01 0.00 0.00 37.83 34.97 1wf5 s LYS 106 CO 0.46 -2.79 1.88 0.16 0.51 0.00 0.00 175.35 175.57 1wf5 s ASP 107 N -2.63 5.96 0.99 2.83 -4.77 -1.26 -4.77 116.67 113.02 1wf5 s ASP 107 Ca 0.67 1.68 -0.12 0.00 -3.30 0.00 0.00 52.55 51.48 1wf5 s ASP 107 Cb -0.23 -2.52 0.19 0.00 -1.09 0.00 0.00 42.92 39.26 1wf5 s ASP 107 CO 0.59 -1.59 0.43 0.35 0.70 0.00 0.00 175.17 175.64 1wf5 n THR 108 N 7.06 0.00 -1.82 2.11 -2.24 -1.20 -4.76 114.28 113.43 1wf5 n THR 108 Ca 0.23 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.59 1wf5 n THR 108 Cb 0.45 -0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 1wf5 n THR 108 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1wf5 s GLU 109 N -3.46 4.16 -0.82 -0.78 2.12 -1.26 -4.74 118.70 113.92 1wf5 s GLU 109 Ca 0.33 2.43 -0.20 0.00 0.36 0.00 0.00 54.97 57.88 1wf5 s GLU 109 Cb -0.06 -4.03 -0.21 0.00 0.26 0.00 0.00 34.13 30.09 1wf5 s GLU 109 CO 0.28 -0.89 2.08 -2.13 -0.54 0.00 0.00 175.26 174.05 1wf5 n ARG 110 N 7.18 0.00 -2.92 4.30 0.63 -1.26 -4.76 116.66 119.83 1wf5 n ARG 110 Ca 0.18 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.68 1wf5 n ARG 110 Cb 0.42 -1.11 -0.05 0.00 0.45 0.00 0.00 32.46 32.17 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 5.32 4.56 -0.02 5.15 1.01 -1.11 -4.92 120.40 130.39 1wf5 s VAL 111 Ca 1.10 0.32 -0.12 0.00 0.00 0.00 0.00 61.98 63.29 1wf5 s VAL 111 Cb -0.94 -4.40 -0.05 0.00 0.00 0.00 0.00 36.38 30.99 1wf5 s VAL 111 CO 0.42 -0.87 0.33 -0.44 0.00 0.00 0.00 175.10 174.54 1wf5 s SER 112 N 2.44 6.67 0.51 3.32 0.01 -1.26 -0.52 113.70 124.87 1wf5 s SER 112 Ca 0.29 0.80 -0.20 0.00 1.31 0.00 0.00 55.95 58.16 1wf5 s SER 112 Cb -0.13 -2.19 -0.08 0.00 0.21 0.00 0.00 66.02 63.84 1wf5 s SER 112 CO 0.21 0.33 1.05 -0.76 0.41 0.00 0.00 173.24 174.48 1wf5 s LEU 113 N -1.18 3.79 -0.19 2.44 2.01 0.19 -4.92 118.68 120.82 1wf5 s LEU 113 Ca 0.23 1.94 -0.29 0.00 0.01 0.00 0.00 54.13 56.02 1wf5 s LEU 113 Cb -0.15 -4.56 -0.01 0.00 0.01 0.00 0.00 46.19 41.48 1wf5 s LEU 113 CO 0.12 -0.88 1.29 -2.16 1.01 0.00 0.00 176.35 175.73 1wf5 s PRO 114 N -3.34 4.17 -0.78 1.29 0.04 -1.26 -2.93 135.00 132.18 1wf5 s PRO 114 Ca 0.67 1.61 -0.24 0.00 0.04 0.00 0.00 61.00 63.09 1wf5 s PRO 114 Cb -0.17 -3.80 -0.16 0.00 0.04 0.00 0.00 34.50 30.41 1wf5 s PRO 114 CO 0.23 -0.80 2.39 -1.91 0.04 0.00 0.00 177.00 176.95 1wf5 n GLU 115 N 6.77 0.54 -1.37 4.56 2.13 -1.26 -3.79 120.64 128.21 1wf5 n GLU 115 Ca 0.14 -0.53 -0.45 0.00 0.66 0.00 0.00 57.16 56.97 1wf5 n GLU 115 Cb 0.45 -3.15 -0.14 0.00 0.27 0.00 0.00 31.44 28.88 1wf5 n GLU 115 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1wf5 n SER 116 N 15.88 0.42 -1.33 4.31 3.41 -1.26 -4.38 113.62 130.67 1wf5 n SER 116 Ca 0.49 0.32 0.16 0.00 -0.26 0.00 0.00 58.87 59.59 1wf5 n SER 116 Cb 0.39 -0.88 -0.06 0.00 -0.26 0.00 0.00 64.21 63.39 1wf5 n SER 116 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wf5 n GLY 117 N 6.58 -2.35 3.77 5.00 0.00 -1.26 -4.79 105.19 112.15 1wf5 n GLY 117 Ca 0.60 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1wf5 n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wf5 s PRO 118 N -3.39 4.30 0.04 1.61 0.04 -1.26 -5.05 135.00 131.28 1wf5 s PRO 118 Ca 0.00 1.59 -0.14 0.00 0.04 0.00 0.00 61.00 62.49 1wf5 s PRO 118 Cb 0.00 -2.73 0.02 0.00 0.04 0.00 0.00 34.50 31.83 1wf5 s PRO 118 CO 0.00 -0.03 0.31 -1.54 0.04 0.00 0.00 177.00 175.78 1wf5 s SER 119 N -1.37 -0.14 -0.60 6.66 1.04 -1.26 -5.11 113.70 112.92 1wf5 s SER 119 Ca 0.54 -0.15 -0.24 0.00 0.48 0.00 0.00 55.95 56.59 1wf5 s SER 119 Cb -0.25 0.35 0.05 0.00 0.10 0.00 0.00 66.02 66.28 1wf5 s SER 119 CO 0.31 -0.60 0.96 -0.55 0.98 0.00 0.00 173.24 174.35 1wf5 s SER 120 N -1.96 6.27 0.00 7.02 0.15 -1.26 -5.22 113.70 118.69 1wf5 s SER 120 Ca -0.06 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.00 1wf5 s SER 120 Cb -0.01 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1wf5 s SER 120 CO -0.02 -1.32 0.00 0.61 1.20 0.00 0.00 173.24 173.71