#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 -0.05 -3.68 1.61 3.41 -1.26 -5.16 113.62 108.49 1wf5 n SER 2 Ca 0.00 0.08 -0.05 0.00 -0.26 0.00 0.00 58.87 58.63 1wf5 n SER 2 Cb 0.00 0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.04 1wf5 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wf5 s SER 3 N -4.87 -0.25 0.00 4.04 0.01 -1.26 -5.15 113.70 106.22 1wf5 s SER 3 Ca 0.00 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1wf5 s SER 3 Cb 0.00 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.71 1wf5 s SER 3 CO 0.00 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.41 1wf5 n GLY 4 N -0.41 2.63 2.92 3.44 0.00 -1.26 -5.15 105.19 107.37 1wf5 n GLY 4 Ca -0.07 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.57 1wf5 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wf5 s SER 5 N 0.00 -0.78 0.18 1.61 0.15 -1.26 -5.03 113.70 108.58 1wf5 s SER 5 Ca 0.00 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1wf5 s SER 5 Cb 0.00 1.00 0.00 0.00 -1.71 0.00 0.00 66.02 65.31 1wf5 s SER 5 CO 0.00 -0.08 0.00 -1.20 1.20 0.00 0.00 173.24 173.16 1wf5 n SER 6 N 3.89 -1.66 0.00 5.45 7.64 -1.26 -5.17 113.62 122.52 1wf5 n SER 6 Ca 0.08 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.58 1wf5 n SER 6 Cb 0.61 1.81 0.00 0.00 -1.01 0.00 0.00 64.21 65.62 1wf5 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wf5 n GLY 7 N -1.21 -1.00 2.80 0.23 0.00 -1.26 -5.13 105.19 99.63 1wf5 n GLY 7 Ca 0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 1wf5 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wf5 s ARG 8 N -0.32 0.33 -0.07 1.61 1.81 -1.26 -5.12 118.95 115.92 1wf5 s ARG 8 Ca 0.00 0.01 0.00 0.00 -1.72 0.00 0.00 55.73 54.02 1wf5 s ARG 8 Cb 0.00 -0.61 0.02 0.00 -0.45 0.00 0.00 34.95 33.91 1wf5 s ARG 8 CO 0.00 -0.96 -0.05 -1.12 -0.68 0.00 0.00 175.30 172.49 1wf5 s SER 9 N 2.41 1.58 -0.01 0.23 0.01 -1.26 -5.14 113.70 111.54 1wf5 s SER 9 Ca 0.10 -0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.19 1wf5 s SER 9 Cb -0.14 -0.61 -0.03 0.00 0.21 0.00 0.00 66.02 65.44 1wf5 s SER 9 CO -0.29 -0.10 -0.06 0.00 0.41 0.00 0.00 173.24 173.21 1wf5 s ALA 10 N 1.37 3.06 -0.30 1.44 0.00 -1.26 -5.09 121.76 120.98 1wf5 s ALA 10 Ca -0.03 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.87 1wf5 s ALA 10 Cb -0.13 -1.18 0.18 0.00 0.00 0.00 0.00 23.12 21.99 1wf5 s ALA 10 CO -0.03 0.61 0.82 -1.58 0.00 0.00 0.00 175.76 175.58 1wf5 s HIS 11 N -0.99 -1.07 0.52 0.00 2.46 -1.26 -5.13 115.29 109.82 1wf5 s HIS 11 Ca 0.17 1.20 0.00 0.00 0.47 0.00 0.00 55.06 56.89 1wf5 s HIS 11 Cb -0.11 0.40 0.00 0.00 -0.13 0.00 0.00 32.58 32.74 1wf5 s HIS 11 CO 0.07 -0.58 0.00 1.28 -2.47 0.00 0.00 174.74 173.04 1wf5 n LEU 12 N 5.43 -1.80 -4.75 8.88 4.32 -1.26 -4.83 117.00 122.98 1wf5 n LEU 12 Ca -0.04 2.71 -0.41 0.00 -0.02 0.00 0.00 56.01 58.25 1wf5 n LEU 12 Cb 0.52 -2.75 -0.04 0.00 -1.62 0.00 0.00 43.42 39.53 1wf5 n LEU 12 CO -0.04 -0.23 0.84 -0.13 -1.22 0.00 0.00 177.39 176.61 1wf5 s ARG 13 N -4.67 4.56 0.22 3.23 3.00 -1.26 -5.04 118.95 118.98 1wf5 s ARG 13 Ca 0.00 1.88 0.11 0.00 0.00 0.00 0.00 55.73 57.72 1wf5 s ARG 13 Cb 0.00 -3.19 -0.05 0.00 0.00 0.00 0.00 34.95 31.72 1wf5 s ARG 13 CO 0.00 0.07 -0.22 0.14 0.00 0.00 0.00 175.30 175.29 1wf5 s VAL 14 N -0.84 2.34 -1.21 3.52 -7.23 -1.26 -5.04 120.40 110.68 1wf5 s VAL 14 Ca 0.47 -2.16 -0.20 0.00 -1.81 0.00 0.00 61.98 58.28 1wf5 s VAL 14 Cb -0.33 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 1wf5 s VAL 14 CO 0.41 -0.24 1.88 0.54 -0.31 0.00 0.00 175.10 177.38 1wf5 n ARG 15 N -0.05 2.27 -2.63 4.82 1.74 -1.26 -4.39 116.66 117.17 1wf5 n ARG 15 Ca -0.10 -2.73 -0.21 0.00 -0.77 0.00 0.00 57.85 54.03 1wf5 n ARG 15 Cb 0.58 -3.55 0.04 0.00 -1.02 0.00 0.00 32.46 28.51 1wf5 n ARG 15 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1wf5 s GLN 16 N 5.30 2.47 0.37 5.56 -2.07 -0.44 -4.94 119.66 125.90 1wf5 s GLN 16 Ca 0.61 -0.80 -0.21 0.00 -1.82 0.00 0.00 55.36 53.14 1wf5 s GLN 16 Cb 0.03 -2.47 -0.10 0.00 -1.09 0.00 0.00 33.01 29.38 1wf5 s GLN 16 CO 0.10 -0.78 0.89 -0.51 -1.32 0.00 0.00 175.29 173.67 1wf5 s LEU 17 N -4.80 4.09 0.00 2.60 1.43 -1.26 -4.02 118.68 116.72 1wf5 s LEU 17 Ca 0.58 1.63 -0.07 0.00 -1.03 0.00 0.00 54.13 55.24 1wf5 s LEU 17 Cb -0.10 -4.26 0.10 0.00 0.03 0.00 0.00 46.19 41.96 1wf5 s LEU 17 CO 0.39 -0.23 0.45 -0.81 0.23 0.00 0.00 176.35 176.38 1wf5 n PRO 18 N -0.20 -1.14 -4.47 1.29 -0.04 -1.26 -4.21 135.00 124.97 1wf5 n PRO 18 Ca 0.04 -0.71 -0.23 0.00 -0.04 0.00 0.00 63.50 62.57 1wf5 n PRO 18 Cb 0.53 -0.56 -0.10 0.00 -0.04 0.00 0.00 33.50 33.32 1wf5 n PRO 18 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1wf5 s HIS 19 N -1.91 2.10 0.90 0.54 3.76 -1.21 -4.36 115.29 115.11 1wf5 s HIS 19 Ca 0.27 -0.66 -0.11 0.00 -0.15 0.00 0.00 55.06 54.42 1wf5 s HIS 19 Cb -0.02 -1.22 0.14 0.00 1.11 0.00 0.00 32.58 32.59 1wf5 s HIS 19 CO 0.20 0.36 1.10 0.00 -0.85 0.00 0.00 174.74 175.55 1wf5 s ALA 20 N -2.90 1.45 0.69 -1.40 0.00 -1.23 -4.11 121.76 114.26 1wf5 s ALA 20 Ca 0.31 0.26 -0.11 0.00 0.00 0.00 0.00 51.96 52.42 1wf5 s ALA 20 Cb 0.04 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.85 1wf5 s ALA 20 CO 0.14 -2.54 1.06 -1.25 0.00 0.00 0.00 175.76 173.16 1wf5 s PRO 21 N -4.76 2.95 0.55 0.00 0.04 -1.26 -4.61 135.00 127.92 1wf5 s PRO 21 Ca 0.65 0.96 0.05 0.00 0.04 0.00 0.00 61.00 62.70 1wf5 s PRO 21 Cb -0.20 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.38 1wf5 s PRO 21 CO 0.58 -1.09 0.37 -1.21 0.04 0.00 0.00 177.00 175.69 1wf5 s GLU 22 N -5.01 2.24 -1.11 4.56 2.02 -1.18 -4.53 118.70 115.68 1wf5 s GLU 22 Ca 0.58 -2.10 -0.17 0.00 0.02 0.00 0.00 54.97 53.31 1wf5 s GLU 22 Cb -0.14 -2.02 0.02 0.00 0.10 0.00 0.00 34.13 32.09 1wf5 s GLU 22 CO 0.54 -0.63 0.31 1.58 0.02 0.00 0.00 175.26 177.08 1wf5 n HIS 23 N -1.74 -1.07 -2.07 1.61 -0.00 -1.26 0.27 115.22 110.95 1wf5 n HIS 23 Ca -0.04 0.23 -0.38 0.00 0.46 0.00 0.00 57.72 58.00 1wf5 n HIS 23 Cb 0.65 -2.26 -0.03 0.00 -0.12 0.00 0.00 29.99 28.23 1wf5 n HIS 23 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1wf5 n PRO 24 N -4.16 2.33 -3.66 1.57 -0.04 -1.26 -3.85 135.00 125.93 1wf5 n PRO 24 Ca -0.17 -2.69 -0.37 0.00 -0.04 0.00 0.00 63.50 60.23 1wf5 n PRO 24 Cb 0.50 -3.47 -0.06 0.00 -0.04 0.00 0.00 33.50 30.43 1wf5 n PRO 24 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1wf5 s VAL 25 N 6.63 5.28 -0.07 0.52 1.01 0.74 -4.31 120.40 130.19 1wf5 s VAL 25 Ca 0.59 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 63.07 1wf5 s VAL 25 Cb 0.05 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.89 1wf5 s VAL 25 CO 0.08 0.56 -0.01 0.00 0.00 0.00 0.00 175.10 175.73 1wf5 s ALA 26 N -0.74 0.75 0.02 5.51 0.00 -1.26 -0.47 121.76 125.57 1wf5 s ALA 26 Ca 0.18 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.00 1wf5 s ALA 26 Cb -0.14 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 1wf5 s ALA 26 CO 0.07 -0.44 -0.04 0.95 0.00 0.00 0.00 175.76 176.30 1wf5 s THR 27 N 1.91 0.27 1.05 0.00 -4.23 0.20 -4.66 115.64 110.18 1wf5 s THR 27 Ca 0.04 -0.63 -0.15 0.00 -1.18 0.00 0.00 61.69 59.78 1wf5 s THR 27 Cb -0.12 -0.33 0.11 0.00 1.34 0.00 0.00 72.50 73.50 1wf5 s THR 27 CO -0.05 -0.24 0.38 -0.11 -0.54 0.00 0.00 174.62 174.06 1wf5 n LEU 28 N 2.14 -0.94 -4.62 4.79 7.94 -1.26 0.21 117.00 125.27 1wf5 n LEU 28 Ca -0.19 0.09 -0.42 0.00 -1.11 0.00 0.00 56.01 54.38 1wf5 n LEU 28 Cb 0.57 -1.13 -0.04 0.00 0.53 0.00 0.00 43.42 43.34 1wf5 n LEU 28 CO 0.23 -3.24 0.67 -0.55 -1.11 0.00 0.00 177.39 173.39 1wf5 s SER 29 N -2.05 6.73 -0.13 1.96 0.15 0.10 -4.11 113.70 116.35 1wf5 s SER 29 Ca 0.59 0.75 -0.00 0.00 0.70 0.00 0.00 55.95 57.99 1wf5 s SER 29 Cb -0.18 -2.44 0.11 0.00 -1.71 0.00 0.00 66.02 61.81 1wf5 s SER 29 CO 0.66 -0.68 1.78 0.35 1.20 0.00 0.00 173.24 176.55 1wf5 n THR 30 N 5.61 2.11 0.00 6.45 -2.24 -1.26 -3.63 114.28 121.32 1wf5 n THR 30 Ca 0.06 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1wf5 n THR 30 Cb 0.48 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 1wf5 n THR 30 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1wf5 n VAL 31 N 0.73 0.00 -4.14 2.28 0.24 -1.26 -5.12 118.33 111.06 1wf5 n VAL 31 Ca 0.14 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 62.08 1wf5 n VAL 31 Cb 0.60 -0.04 -0.08 0.00 -1.47 0.00 0.00 33.84 32.86 1wf5 n VAL 31 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1wf5 s GLU 32 N -1.51 3.23 0.28 7.34 2.02 -1.24 -5.10 118.70 123.73 1wf5 s GLU 32 Ca 0.00 -0.28 -0.17 0.00 0.02 0.00 0.00 54.97 54.53 1wf5 s GLU 32 Cb 0.00 -2.99 -0.09 0.00 0.10 0.00 0.00 34.13 31.16 1wf5 s GLU 32 CO 0.00 0.72 0.74 1.03 0.02 0.00 0.00 175.26 177.76 1wf5 s ARG 33 N -0.89 4.12 -1.54 1.61 1.81 -1.26 -3.80 118.95 119.01 1wf5 s ARG 33 Ca 0.14 0.77 -0.03 0.00 -1.72 0.00 0.00 55.73 54.89 1wf5 s ARG 33 Cb -0.12 -2.62 0.01 0.00 -0.45 0.00 0.00 34.95 31.77 1wf5 s ARG 33 CO 0.03 0.26 0.30 0.54 -0.68 0.00 0.00 175.30 175.74 1wf5 n ARG 34 N 0.11 -3.24 -4.35 3.54 1.74 -1.26 -4.82 116.66 108.38 1wf5 n ARG 34 Ca 0.01 0.85 -0.18 0.00 -0.77 0.00 0.00 57.85 57.76 1wf5 n ARG 34 Cb 0.52 -5.59 -0.14 0.00 -1.02 0.00 0.00 32.46 26.22 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 -3.02 0.78 -0.02 7.54 0.00 -1.25 -2.03 121.76 123.75 1wf5 s ALA 35 Ca 0.16 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 51.71 1wf5 s ALA 35 Cb -0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1wf5 s ALA 35 CO 0.20 0.18 -0.13 0.42 0.00 0.00 0.00 175.76 176.43 1wf5 s ILE 36 N -0.34 3.18 -0.33 0.00 1.01 -0.72 0.03 121.20 124.03 1wf5 s ILE 36 Ca 0.03 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.77 1wf5 s ILE 36 Cb -0.04 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 1wf5 s ILE 36 CO -0.00 0.51 0.19 0.21 0.00 0.00 0.00 174.94 175.85 1wf5 s ASN 37 N -1.00 5.77 -0.16 3.58 3.84 0.56 -1.34 114.94 126.20 1wf5 s ASN 37 Ca 0.13 -0.51 -0.08 0.00 0.21 0.00 0.00 52.86 52.61 1wf5 s ASN 37 Cb -0.11 -2.06 -0.04 0.00 -0.55 0.00 0.00 41.25 38.49 1wf5 s ASN 37 CO 0.03 -0.22 0.13 -0.22 -2.79 0.00 0.00 177.10 174.03 1wf5 s LEU 38 N 1.65 4.29 -0.05 3.21 1.98 0.23 -0.63 118.68 129.37 1wf5 s LEU 38 Ca 0.05 0.35 -0.02 0.00 -2.89 0.00 0.00 54.13 51.62 1wf5 s LEU 38 Cb -0.17 -2.08 0.03 0.00 0.66 0.00 0.00 46.19 44.64 1wf5 s LEU 38 CO 0.08 0.30 0.08 0.42 -1.89 0.00 0.00 176.35 175.34 1wf5 s THR 39 N -0.35 -0.11 0.22 3.68 -4.23 0.38 -1.10 115.64 114.13 1wf5 s THR 39 Ca 0.11 0.30 -0.00 0.00 -1.18 0.00 0.00 61.69 60.93 1wf5 s THR 39 Cb -0.12 -0.17 -0.04 0.00 1.34 0.00 0.00 72.50 73.51 1wf5 s THR 39 CO 0.01 0.13 0.12 -1.66 -0.54 0.00 0.00 174.62 172.67 1wf5 s TRP 40 N 1.66 1.27 0.17 3.99 -2.14 0.12 -0.19 118.94 123.82 1wf5 s TRP 40 Ca -0.02 -1.31 0.03 0.00 2.66 0.00 0.00 56.10 57.46 1wf5 s TRP 40 Cb -0.12 -0.67 -0.03 0.00 -3.10 0.00 0.00 33.47 29.55 1wf5 s TRP 40 CO -0.04 -0.54 0.29 0.99 -2.66 0.00 0.00 176.95 175.00 1wf5 s THR 41 N -4.02 5.29 -0.41 0.66 2.01 0.14 -4.65 115.64 114.66 1wf5 s THR 41 Ca 0.38 -0.75 -0.29 0.00 0.31 0.00 0.00 61.69 61.34 1wf5 s THR 41 Cb 0.07 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.86 1wf5 s THR 41 CO 0.12 -0.13 1.11 -0.75 -0.69 0.00 0.00 174.62 174.28 1wf5 s LYS 42 N -3.36 3.87 1.03 4.92 2.36 -1.26 -3.13 119.74 124.18 1wf5 s LYS 42 Ca 0.34 0.79 -0.16 0.00 -2.55 0.00 0.00 55.97 54.39 1wf5 s LYS 42 Cb -0.11 -3.83 0.21 0.00 -1.05 0.00 0.00 37.83 33.05 1wf5 s LYS 42 CO 0.28 -1.17 1.20 -1.25 1.55 0.00 0.00 175.35 175.96 1wf5 s PRO 43 N 4.11 0.10 -0.11 4.03 0.04 -1.26 -4.91 135.00 136.99 1wf5 s PRO 43 Ca 0.47 -0.10 -0.27 0.00 0.04 0.00 0.00 61.00 61.13 1wf5 s PRO 43 Cb -0.09 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 1wf5 s PRO 43 CO 0.25 -2.82 0.90 0.12 0.04 0.00 0.00 177.00 175.49 1wf5 s PHE 44 N -3.41 3.50 0.27 0.56 2.19 -1.26 -4.97 117.98 114.86 1wf5 s PHE 44 Ca 0.70 1.44 -0.27 0.00 0.33 0.00 0.00 56.93 59.13 1wf5 s PHE 44 Cb -0.09 -3.07 -0.09 0.00 -1.31 0.00 0.00 43.02 38.46 1wf5 s PHE 44 CO 0.54 -0.17 0.91 0.16 1.83 0.00 0.00 175.22 178.49 1wf5 s ASP 45 N 1.07 7.46 -0.58 6.13 -4.77 -1.26 -3.33 116.67 121.40 1wf5 s ASP 45 Ca 0.44 1.84 -0.06 0.00 -3.30 0.00 0.00 52.55 51.46 1wf5 s ASP 45 Cb -0.18 -2.57 -0.16 0.00 -1.09 0.00 0.00 42.92 38.92 1wf5 s ASP 45 CO 0.17 0.06 2.84 0.61 0.70 0.00 0.00 175.17 179.55 1wf5 n GLY 46 N 1.05 3.12 2.99 2.12 0.00 -1.26 -4.40 105.19 108.81 1wf5 n GLY 46 Ca -0.01 -1.08 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 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 3.14 -6.01 -3.78 1.61 3.02 -1.26 -1.33 115.26 110.64 1wf5 n ASN 47 Ca 0.48 -0.29 -0.13 0.00 -0.03 0.00 0.00 54.58 54.61 1wf5 n ASN 47 Cb 0.50 -4.82 -0.11 0.00 -0.61 0.00 0.00 39.78 34.75 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 -2.74 -0.25 -0.27 6.41 0.15 -1.26 -4.72 113.70 111.01 1wf5 s SER 48 Ca 0.30 0.42 -0.29 0.00 0.70 0.00 0.00 55.95 57.09 1wf5 s SER 48 Cb -0.13 0.51 -0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1wf5 s SER 48 CO 0.38 -0.19 1.33 -2.16 1.20 0.00 0.00 173.24 173.80 1wf5 s PRO 49 N -0.25 3.96 0.54 5.44 0.04 -1.26 -4.77 135.00 138.70 1wf5 s PRO 49 Ca -0.04 1.37 -0.18 0.00 0.04 0.00 0.00 61.00 62.19 1wf5 s PRO 49 Cb -0.03 -3.88 -0.12 0.00 0.04 0.00 0.00 34.50 30.51 1wf5 s PRO 49 CO 0.01 -1.07 0.12 1.28 0.04 0.00 0.00 177.00 177.38 1wf5 n LEU 50 N 7.54 -1.98 -0.08 -3.56 4.77 -1.26 -4.21 117.00 118.22 1wf5 n LEU 50 Ca 0.15 0.68 -0.17 0.00 -0.03 0.00 0.00 56.01 56.64 1wf5 n LEU 50 Cb 0.46 -0.97 -0.06 0.00 -2.33 0.00 0.00 43.42 40.52 1wf5 n LEU 50 CO 0.62 -4.14 -1.07 -0.38 -1.33 0.00 0.00 177.39 171.09 1wf5 n ILE 51 N -1.61 0.91 -3.56 -0.08 5.41 0.50 -4.85 119.36 116.08 1wf5 n ILE 51 Ca 0.09 -0.25 -0.04 0.00 1.00 0.00 0.00 62.75 63.55 1wf5 n ILE 51 Cb 0.47 -1.65 0.02 0.00 -0.71 0.00 0.00 39.64 37.77 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 -3.65 0.58 -3.86 0.38 1.85 -0.54 -4.40 116.66 107.02 1wf5 n ARG 52 Ca -0.32 -1.18 -0.17 0.00 -1.00 0.00 0.00 57.85 55.17 1wf5 n ARG 52 Cb 0.74 1.51 -0.16 0.00 -1.05 0.00 0.00 32.46 33.50 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 -4.43 0.27 -0.52 2.89 1.51 -1.15 -2.24 117.35 113.68 1wf5 s TYR 53 Ca 0.11 0.04 -0.18 0.00 -1.01 0.00 0.00 57.07 56.03 1wf5 s TYR 53 Cb -0.03 -0.42 0.08 0.00 -0.11 0.00 0.00 41.96 41.48 1wf5 s TYR 53 CO 0.06 -0.15 0.56 0.42 -1.11 0.00 0.00 175.55 175.33 1wf5 s ILE 54 N 1.23 5.00 -0.17 2.71 1.01 -1.24 -3.76 121.20 125.98 1wf5 s ILE 54 Ca -0.07 -0.87 -0.18 0.00 0.00 0.00 0.00 60.65 59.54 1wf5 s ILE 54 Cb -0.13 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 1wf5 s ILE 54 CO -0.02 -0.81 0.47 -0.22 0.00 0.00 0.00 174.94 174.36 1wf5 s LEU 55 N 2.24 4.19 -0.08 2.97 2.96 -0.84 -2.54 118.68 127.59 1wf5 s LEU 55 Ca 0.10 0.68 0.04 0.00 -0.22 0.00 0.00 54.13 54.72 1wf5 s LEU 55 Cb -0.23 -2.65 -0.02 0.00 0.50 0.00 0.00 46.19 43.79 1wf5 s LEU 55 CO 0.08 -0.09 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.22 1wf5 s GLU 56 N 1.22 2.77 -0.01 1.98 8.01 -0.46 -0.66 118.70 131.56 1wf5 s GLU 56 Ca 0.23 -0.78 0.03 0.00 0.01 0.00 0.00 54.97 54.47 1wf5 s GLU 56 Cb -0.15 -2.36 -0.03 0.00 -4.31 0.00 0.00 34.13 27.28 1wf5 s GLU 56 CO 0.09 0.41 -0.09 1.41 0.01 0.00 0.00 175.26 177.08 1wf5 s MET 57 N -0.19 2.52 -0.34 1.61 -2.45 0.09 -0.82 119.30 119.72 1wf5 s MET 57 Ca -0.01 -0.72 0.02 0.00 -1.25 0.00 0.00 55.69 53.73 1wf5 s MET 57 Cb -0.13 -2.46 0.10 0.00 1.25 0.00 0.00 34.83 33.59 1wf5 s MET 57 CO 0.03 0.61 0.09 0.45 1.05 0.00 0.00 175.02 177.25 1wf5 s SER 58 N -1.20 4.42 -0.09 1.11 0.15 -1.11 -1.36 113.70 115.62 1wf5 s SER 58 Ca 0.15 -2.01 -0.24 0.00 0.70 0.00 0.00 55.95 54.55 1wf5 s SER 58 Cb -0.11 -1.31 -0.03 0.00 -1.71 0.00 0.00 66.02 62.86 1wf5 s SER 58 CO 0.05 -0.38 0.72 -0.70 1.20 0.00 0.00 173.24 174.12 1wf5 s GLU 59 N 1.11 4.41 1.86 5.44 2.12 -1.26 -2.13 118.70 130.24 1wf5 s GLU 59 Ca 0.11 0.89 0.00 0.00 0.36 0.00 0.00 54.97 56.33 1wf5 s GLU 59 Cb -0.19 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.73 1wf5 s GLU 59 CO -0.14 -0.00 0.00 0.09 -0.54 0.00 0.00 175.26 174.67 1wf5 n ASN 60 N 4.03 0.00 -0.51 -1.70 3.02 -1.23 0.23 115.26 119.10 1wf5 n ASN 60 Ca -0.00 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.59 1wf5 n ASN 60 Cb 0.51 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.76 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 4.06 1.20 -4.79 6.41 3.02 -1.26 -5.07 115.26 118.82 1wf5 n ASN 61 Ca 0.00 -2.64 -0.34 0.00 -0.03 0.00 0.00 54.58 51.57 1wf5 n ASN 61 Cb 0.00 -0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 38.81 1wf5 n ASN 61 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wf5 s ALA 62 N -1.44 2.81 0.42 5.41 0.00 0.61 -5.01 121.76 124.56 1wf5 s ALA 62 Ca 0.21 0.66 -0.23 0.00 0.00 0.00 0.00 51.96 52.60 1wf5 s ALA 62 Cb 0.20 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.95 1wf5 s ALA 62 CO -0.02 -0.48 1.05 -1.25 0.00 0.00 0.00 175.76 175.06 1wf5 s PRO 63 N -3.29 4.09 -0.57 0.00 0.04 -1.26 -4.21 135.00 129.80 1wf5 s PRO 63 Ca 0.69 1.49 -0.39 0.00 0.04 0.00 0.00 61.00 62.83 1wf5 s PRO 63 Cb -0.19 -2.45 -0.18 0.00 0.04 0.00 0.00 34.50 31.72 1wf5 s PRO 63 CO 0.23 -0.21 2.27 0.91 0.04 0.00 0.00 177.00 180.24 1wf5 n TRP 64 N -0.25 1.14 -4.11 0.56 7.02 -1.26 -4.73 117.44 115.80 1wf5 n TRP 64 Ca 0.06 0.57 -0.34 0.00 -1.02 0.00 0.00 57.50 56.77 1wf5 n TRP 64 Cb 0.50 -2.37 -0.11 0.00 -2.42 0.00 0.00 31.31 26.92 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 7.07 4.45 -0.62 -0.99 -1.32 -0.46 -4.85 115.64 118.91 1wf5 s THR 65 Ca 1.20 -0.15 -0.26 0.00 -1.21 0.00 0.00 61.69 61.27 1wf5 s THR 65 Cb -1.28 -3.00 -0.04 0.00 -1.51 0.00 0.00 72.50 66.67 1wf5 s THR 65 CO 0.58 0.46 2.04 -0.69 -2.21 0.00 0.00 174.62 174.80 1wf5 s VAL 66 N 0.49 3.25 -0.07 5.08 1.01 -1.26 -0.73 120.40 128.17 1wf5 s VAL 66 Ca 0.01 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.92 1wf5 s VAL 66 Cb -0.13 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 1wf5 s VAL 66 CO 0.01 -0.63 0.56 -0.07 0.00 0.00 0.00 175.10 174.97 1wf5 h LEU 67 N 17.76 -0.19 -7.80 3.92 3.38 -1.25 -3.43 115.31 127.69 1wf5 h LEU 67 Ca -0.20 -0.22 -0.65 0.00 0.09 0.00 0.00 57.88 56.89 1wf5 h LEU 67 Cb 1.16 0.05 -0.37 0.00 0.09 0.00 0.00 40.66 41.59 1wf5 h LEU 67 CO 1.19 0.36 -0.80 -0.22 0.09 0.00 0.00 178.44 179.07 1wf5 s LEU 68 N -8.83 3.19 -0.10 1.67 0.20 -1.16 -5.00 118.68 108.65 1wf5 s LEU 68 Ca -0.09 -1.33 -0.00 0.00 0.69 0.00 0.00 54.13 53.40 1wf5 s LEU 68 Cb 0.00 -1.44 -0.00 0.00 -0.43 0.00 0.00 46.19 44.32 1wf5 s LEU 68 CO 0.30 -0.20 0.00 0.00 -0.29 0.00 0.00 176.35 176.16 1wf5 h ALA 69 N 7.82 0.00 -1.58 5.97 0.00 -1.84 -2.24 119.26 127.40 1wf5 h ALA 69 Ca -0.19 -0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.12 1wf5 h ALA 69 Cb 1.05 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.72 1wf5 h ALA 69 CO 0.45 0.00 0.73 -1.54 0.00 0.00 0.00 179.25 178.89 1wf5 s SER 70 N -5.55 6.20 0.09 0.00 1.04 -1.26 -4.24 113.70 109.97 1wf5 s SER 70 Ca -0.00 -0.70 0.08 0.00 0.48 0.00 0.00 55.95 55.81 1wf5 s SER 70 Cb -0.00 -2.47 -0.03 0.00 0.10 0.00 0.00 66.02 63.62 1wf5 s SER 70 CO 0.00 -1.55 -0.21 -0.69 0.98 0.00 0.00 173.24 171.78 1wf5 s VAL 71 N 4.62 1.73 0.27 5.02 1.01 -1.25 -4.96 120.40 126.86 1wf5 s VAL 71 Ca 0.28 -1.46 -0.29 0.00 0.00 0.00 0.00 61.98 60.51 1wf5 s VAL 71 Cb -0.13 -1.55 -0.10 0.00 0.00 0.00 0.00 36.38 34.60 1wf5 s VAL 71 CO 0.13 0.03 1.28 -1.81 0.00 0.00 0.00 175.10 174.73 1wf5 s ASP 72 N -1.70 6.90 0.16 3.32 1.01 -1.26 -2.95 116.67 122.14 1wf5 s ASP 72 Ca 0.07 2.51 -0.02 0.00 0.71 0.00 0.00 52.55 55.83 1wf5 s ASP 72 Cb -0.10 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.19 1wf5 s ASP 72 CO 0.04 -0.47 1.37 1.55 0.21 0.00 0.00 175.17 177.87 1wf5 h PRO 73 N 4.22 0.37 0.00 8.23 0.13 -1.88 -2.81 132.00 140.25 1wf5 h PRO 73 Ca -0.47 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 1wf5 h PRO 73 Cb 1.22 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1wf5 h PRO 73 CO 0.70 1.02 0.00 1.63 -0.23 0.00 0.00 178.00 181.12 1wf5 n LYS 74 N -3.77 0.35 -3.23 0.86 4.76 -1.26 -4.70 118.16 111.17 1wf5 n LYS 74 Ca -0.05 0.06 -0.39 0.00 -2.87 0.00 0.00 58.31 55.06 1wf5 n LYS 74 Cb 0.78 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.41 1wf5 n LYS 74 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wf5 s ALA 75 N -2.57 3.45 -0.96 7.82 0.00 -1.06 -4.93 121.76 123.50 1wf5 s ALA 75 Ca 0.23 -0.06 0.09 0.00 0.00 0.00 0.00 51.96 52.21 1wf5 s ALA 75 Cb 0.16 -2.74 0.04 0.00 0.00 0.00 0.00 23.12 20.59 1wf5 s ALA 75 CO 0.37 0.02 0.70 0.25 0.00 0.00 0.00 175.76 177.10 1wf5 n THR 76 N 3.47 0.00 -4.08 0.00 -2.24 -1.26 -4.88 114.28 105.28 1wf5 n THR 76 Ca -0.06 -0.47 -0.09 0.00 -2.27 0.00 0.00 64.05 61.17 1wf5 n THR 76 Cb 0.51 1.15 -0.10 0.00 -2.10 0.00 0.00 70.33 69.79 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 -0.89 0.62 0.05 3.42 1.04 -1.26 0.11 113.70 116.79 1wf5 s SER 77 Ca 0.09 -0.87 -0.17 0.00 0.48 0.00 0.00 55.95 55.48 1wf5 s SER 77 Cb 0.07 0.14 0.03 0.00 0.10 0.00 0.00 66.02 66.36 1wf5 s SER 77 CO 0.14 -0.48 0.38 0.54 0.98 0.00 0.00 173.24 174.80 1wf5 s VAL 78 N -3.17 0.06 -0.12 5.02 0.11 -0.26 -4.97 120.40 117.07 1wf5 s VAL 78 Ca 0.02 -0.53 0.03 0.00 -2.93 0.00 0.00 61.98 58.57 1wf5 s VAL 78 Cb 0.02 -0.96 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1wf5 s VAL 78 CO -0.06 -0.29 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.31 1wf5 s THR 79 N -2.55 2.25 -0.47 5.04 2.01 -1.26 0.74 115.64 121.39 1wf5 s THR 79 Ca -0.05 -0.94 -0.15 0.00 0.31 0.00 0.00 61.69 60.87 1wf5 s THR 79 Cb -0.01 -1.89 0.08 0.00 0.01 0.00 0.00 72.50 70.69 1wf5 s THR 79 CO -0.03 0.55 0.39 -0.69 -0.69 0.00 0.00 174.62 174.14 1wf5 s VAL 80 N 0.56 5.14 -0.07 3.82 1.01 -0.45 -4.92 120.40 125.49 1wf5 s VAL 80 Ca -0.13 -1.12 -0.12 0.00 0.00 0.00 0.00 61.98 60.62 1wf5 s VAL 80 Cb -0.17 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 1wf5 s VAL 80 CO 0.04 -0.59 0.29 -0.54 0.00 0.00 0.00 175.10 174.31 1wf5 s LYS 81 N 1.62 3.79 0.00 2.72 1.02 -1.26 -1.76 119.74 125.87 1wf5 s LYS 81 Ca 0.04 0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.19 1wf5 s LYS 81 Cb -0.24 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 33.83 1wf5 s LYS 81 CO 0.06 0.66 0.00 0.41 -0.92 0.00 0.00 175.35 175.56 1wf5 n GLY 82 N 2.11 0.32 3.32 -3.33 0.00 -0.86 -5.03 105.19 101.72 1wf5 n GLY 82 Ca -0.16 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.51 2.38 -0.00 0.99 1.43 -1.16 -5.06 118.68 116.74 1wf5 s LEU 83 Ca 0.00 -1.13 -0.16 0.00 -1.03 0.00 0.00 54.13 51.81 1wf5 s LEU 83 Cb 0.00 -0.39 -0.06 0.00 0.03 0.00 0.00 46.19 45.77 1wf5 s LEU 83 CO 0.00 -0.39 0.44 -0.69 0.23 0.00 0.00 176.35 175.94 1wf5 s VAL 84 N -3.28 5.00 0.54 -1.59 1.01 -1.26 -4.88 120.40 115.93 1wf5 s VAL 84 Ca 0.24 0.91 -0.18 0.00 0.00 0.00 0.00 61.98 62.96 1wf5 s VAL 84 Cb 0.04 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 1wf5 s VAL 84 CO 0.06 0.55 1.04 -2.16 0.00 0.00 0.00 175.10 174.59 1wf5 s PRO 85 N -0.88 3.58 -1.19 2.72 0.04 -1.26 -3.87 135.00 134.14 1wf5 s PRO 85 Ca 0.25 1.26 -0.05 0.00 0.04 0.00 0.00 61.00 62.50 1wf5 s PRO 85 Cb -0.17 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 1wf5 s PRO 85 CO 0.14 -0.60 0.84 0.00 0.04 0.00 0.00 177.00 177.42 1wf5 n ALA 86 N -1.51 -2.22 -3.41 8.56 0.00 0.67 -4.83 120.51 117.76 1wf5 n ALA 86 Ca 0.09 -0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 1wf5 n ALA 86 Cb 0.53 -3.40 -0.08 0.00 0.00 0.00 0.00 19.45 16.50 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 -5.43 0.72 0.41 0.00 0.52 -1.21 -4.92 118.95 109.05 1wf5 s ARG 87 Ca 0.19 0.45 -0.21 0.00 -0.52 0.00 0.00 55.73 55.64 1wf5 s ARG 87 Cb -0.04 0.34 -0.11 0.00 0.52 0.00 0.00 34.95 35.66 1wf5 s ARG 87 CO 0.78 -0.15 0.94 -1.12 0.02 0.00 0.00 175.30 175.77 1wf5 s SER 88 N -0.35 6.98 -0.08 0.23 0.01 -1.26 -0.94 113.70 118.29 1wf5 s SER 88 Ca -0.05 1.69 -0.04 0.00 1.31 0.00 0.00 55.95 58.86 1wf5 s SER 88 Cb -0.03 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.70 1wf5 s SER 88 CO 0.03 -0.32 0.19 -0.31 0.41 0.00 0.00 173.24 173.25 1wf5 s TYR 89 N -2.10 -0.24 0.35 2.43 2.02 0.19 -3.53 117.35 116.46 1wf5 s TYR 89 Ca 0.60 0.63 0.08 0.00 -0.37 0.00 0.00 57.07 58.01 1wf5 s TYR 89 Cb -0.10 -0.05 -0.03 0.00 -0.40 0.00 0.00 41.96 41.38 1wf5 s TYR 89 CO 0.14 -0.21 0.25 -0.65 -1.57 0.00 0.00 175.55 173.52 1wf5 s GLN 90 N 1.37 2.59 -0.14 -0.62 -0.21 -0.91 -1.61 119.66 120.13 1wf5 s GLN 90 Ca -0.08 -1.41 -0.17 0.00 0.02 0.00 0.00 55.36 53.73 1wf5 s GLN 90 Cb -0.11 -2.36 0.04 0.00 1.00 0.00 0.00 33.01 31.58 1wf5 s GLN 90 CO -0.07 0.07 0.44 -0.06 -2.12 0.00 0.00 175.29 173.55 1wf5 s PHE 91 N -2.36 -0.46 -0.30 0.91 0.08 -1.26 -2.77 117.98 111.82 1wf5 s PHE 91 Ca 0.41 1.05 -0.05 0.00 0.12 0.00 0.00 56.93 58.45 1wf5 s PHE 91 Cb -0.04 0.17 0.19 0.00 -0.57 0.00 0.00 43.02 42.77 1wf5 s PHE 91 CO 0.25 -0.29 0.76 -0.98 -0.10 0.00 0.00 175.22 174.86 1wf5 s ARG 92 N -0.13 0.43 0.17 0.44 1.70 0.00 -2.63 118.95 118.93 1wf5 s ARG 92 Ca -0.03 0.75 0.07 0.00 -0.47 0.00 0.00 55.73 56.04 1wf5 s ARG 92 Cb -0.03 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.72 1wf5 s ARG 92 CO 0.02 -0.49 0.03 -0.48 -1.08 0.00 0.00 175.30 173.31 1wf5 s LEU 93 N 2.89 3.45 0.48 -1.89 2.34 -1.26 -1.35 118.68 123.34 1wf5 s LEU 93 Ca 0.13 -0.32 0.04 0.00 0.06 0.00 0.00 54.13 54.04 1wf5 s LEU 93 Cb -0.13 -2.09 -0.03 0.00 -0.56 0.00 0.00 46.19 43.38 1wf5 s LEU 93 CO -0.18 0.09 0.04 0.00 -1.06 0.00 0.00 176.35 175.24 1wf5 s ALA 95 N -2.80 3.44 -0.15 0.00 0.00 -1.23 -3.61 121.76 117.40 1wf5 s ALA 95 Ca 0.18 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.20 1wf5 s ALA 95 Cb 0.04 -2.19 0.02 0.00 0.00 0.00 0.00 23.12 20.99 1wf5 s ALA 95 CO 0.10 -0.23 -0.15 0.08 0.00 0.00 0.00 175.76 175.56 1wf5 s VAL 96 N 1.14 1.63 0.45 0.00 1.01 -0.95 -0.88 120.40 122.80 1wf5 s VAL 96 Ca 0.06 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1wf5 s VAL 96 Cb -0.14 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 1wf5 s VAL 96 CO 0.04 0.47 0.11 0.54 0.00 0.00 0.00 175.10 176.27 1wf5 s ASN 97 N 1.42 3.19 0.32 3.32 4.22 0.31 -0.37 114.94 127.36 1wf5 s ASN 97 Ca 0.04 -1.73 0.08 0.00 -2.14 0.00 0.00 52.86 49.12 1wf5 s ASN 97 Cb -0.13 0.62 0.81 0.00 1.28 0.00 0.00 41.25 43.83 1wf5 s ASN 97 CO -0.10 -0.97 1.78 -2.24 -2.04 0.00 0.00 177.10 173.52 1wf5 h ASP 98 N 1.63 0.72 -1.00 3.54 3.04 -1.90 0.57 116.42 123.01 1wf5 h ASP 98 Ca -0.36 0.10 0.01 0.00 -3.24 0.00 0.00 57.03 53.54 1wf5 h ASP 98 Cb 1.29 -0.03 -0.05 0.00 -1.04 0.00 0.00 39.33 39.50 1wf5 h ASP 98 CO 0.58 0.23 0.67 0.58 -2.04 0.00 0.00 179.24 179.26 1wf5 h VAL 99 N 0.69 1.24 0.00 4.15 2.07 -1.92 -3.48 116.25 119.00 1wf5 h VAL 99 Ca 0.58 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1wf5 h VAL 99 Cb 1.00 -0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1wf5 h VAL 99 CO -0.37 0.25 0.00 0.61 0.02 0.00 0.00 177.57 178.08 1wf5 n GLY 100 N -1.38 0.24 3.54 2.17 0.00 0.20 -4.95 105.19 105.01 1wf5 n GLY 100 Ca 0.12 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 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 2.61 0.00 1.61 2.20 -1.26 0.12 119.74 123.02 1wf5 s LYS 101 Ca 0.00 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 1wf5 s LYS 101 Cb 0.00 -2.49 0.00 0.00 -1.51 0.00 0.00 37.83 33.83 1wf5 s LYS 101 CO 0.00 0.64 0.00 0.41 -0.36 0.00 0.00 175.35 176.04 1wf5 n GLY 102 N 2.15 0.66 3.56 5.54 0.00 -0.06 -4.87 105.19 112.17 1wf5 n GLY 102 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 1.68 1.87 0.07 1.61 -2.07 -1.26 -4.92 119.66 116.64 1wf5 s GLN 103 Ca 0.00 -2.08 0.02 0.00 -1.82 0.00 0.00 55.36 51.48 1wf5 s GLN 103 Cb 0.00 -1.20 -0.04 0.00 -1.09 0.00 0.00 33.01 30.68 1wf5 s GLN 103 CO 0.00 -0.20 0.09 -0.06 -1.32 0.00 0.00 175.29 173.81 1wf5 s PHE 104 N -3.02 3.23 0.77 9.60 0.40 -1.26 -3.50 117.98 124.19 1wf5 s PHE 104 Ca 0.30 0.11 -0.11 0.00 -0.60 0.00 0.00 56.93 56.63 1wf5 s PHE 104 Cb 0.08 -1.64 0.06 0.00 0.51 0.00 0.00 43.02 42.02 1wf5 s PHE 104 CO 0.15 0.53 1.10 -1.54 0.70 0.00 0.00 175.22 176.16 1wf5 s SER 105 N -2.34 4.42 0.88 1.36 1.04 -0.91 -4.85 113.70 113.30 1wf5 s SER 105 Ca 0.29 1.91 -0.11 0.00 0.48 0.00 0.00 55.95 58.52 1wf5 s SER 105 Cb -0.12 -2.53 0.13 0.00 0.10 0.00 0.00 66.02 63.59 1wf5 s SER 105 CO 0.22 -2.09 1.17 -0.54 0.98 0.00 0.00 173.24 172.98 1wf5 s LYS 106 N -4.71 1.20 -0.19 4.02 -0.14 -1.26 -4.69 119.74 113.97 1wf5 s LYS 106 Ca 0.63 1.64 -0.28 0.00 -1.36 0.00 0.00 55.97 56.59 1wf5 s LYS 106 Cb -0.19 -1.74 -0.05 0.00 -1.68 0.00 0.00 37.83 34.17 1wf5 s LYS 106 CO 0.53 -2.52 2.10 0.16 -0.76 0.00 0.00 175.35 174.86 1wf5 s ASP 107 N -2.47 5.72 1.03 2.83 1.47 -1.26 -4.75 116.67 119.23 1wf5 s ASP 107 Ca 0.69 1.94 -0.14 0.00 1.18 0.00 0.00 52.55 56.23 1wf5 s ASP 107 Cb -0.25 -2.52 0.19 0.00 -0.34 0.00 0.00 42.92 40.00 1wf5 s ASP 107 CO 0.55 -1.74 0.38 0.35 0.68 0.00 0.00 175.17 175.39 1wf5 n THR 108 N 7.27 0.00 -2.25 2.11 -2.24 -1.08 -4.81 114.28 113.29 1wf5 n THR 108 Ca 0.27 -0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.59 1wf5 n THR 108 Cb 0.45 -0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 68.13 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 -3.58 4.22 -0.71 -0.78 2.12 -1.26 -4.82 118.70 113.89 1wf5 s GLU 109 Ca 0.38 1.89 -0.27 0.00 0.36 0.00 0.00 54.97 57.33 1wf5 s GLU 109 Cb -0.07 -3.83 -0.17 0.00 0.26 0.00 0.00 34.13 30.33 1wf5 s GLU 109 CO 0.34 -0.74 2.05 -2.13 -0.54 0.00 0.00 175.26 174.24 1wf5 n ARG 110 N 6.66 0.00 -2.94 4.30 0.63 -1.26 -4.73 116.66 119.32 1wf5 n ARG 110 Ca 0.15 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.65 1wf5 n ARG 110 Cb 0.44 -1.20 -0.05 0.00 0.45 0.00 0.00 32.46 32.10 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 6.63 4.56 -0.04 5.15 1.01 -0.63 -4.86 120.40 132.21 1wf5 s VAL 111 Ca 1.06 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 63.07 1wf5 s VAL 111 Cb -1.05 -4.43 -0.05 0.00 0.00 0.00 0.00 36.38 30.85 1wf5 s VAL 111 CO 0.42 -0.94 0.35 -0.55 0.00 0.00 0.00 175.10 174.38 1wf5 s SER 112 N 2.61 6.69 0.00 3.32 0.15 -1.26 0.53 113.70 125.75 1wf5 s SER 112 Ca 0.27 0.82 -0.13 0.00 0.70 0.00 0.00 55.95 57.61 1wf5 s SER 112 Cb -0.14 -2.21 -0.06 0.00 -1.71 0.00 0.00 66.02 61.90 1wf5 s SER 112 CO 0.19 0.31 0.39 -0.22 1.20 0.00 0.00 173.24 175.10 1wf5 s LEU 113 N -0.85 4.45 0.29 3.45 2.96 -0.11 -4.90 118.68 123.97 1wf5 s LEU 113 Ca 0.21 0.91 -0.29 0.00 -0.22 0.00 0.00 54.13 54.74 1wf5 s LEU 113 Cb -0.15 -2.61 -0.09 0.00 0.50 0.00 0.00 46.19 43.83 1wf5 s LEU 113 CO 0.11 0.31 1.08 -2.16 -1.32 0.00 0.00 176.35 174.36 1wf5 s PRO 114 N -1.20 4.62 -0.56 0.98 0.04 -1.26 -0.24 135.00 137.38 1wf5 s PRO 114 Ca 0.25 1.75 -0.27 0.00 0.04 0.00 0.00 61.00 62.76 1wf5 s PRO 114 Cb -0.16 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 1wf5 s PRO 114 CO 0.13 0.22 1.83 -2.00 0.04 0.00 0.00 177.00 177.22 1wf5 s GLU 115 N -1.51 2.77 0.15 4.56 2.12 -1.26 -3.62 118.70 121.92 1wf5 s GLU 115 Ca 0.45 0.75 -0.29 0.00 0.36 0.00 0.00 54.97 56.24 1wf5 s GLU 115 Cb -0.31 -4.34 -0.07 0.00 0.26 0.00 0.00 34.13 29.67 1wf5 s GLU 115 CO 0.39 -2.55 1.51 1.03 -0.54 0.00 0.00 175.26 175.10 1wf5 h SER 116 N 14.48 -1.99 -5.00 -1.70 0.87 -1.92 -3.48 113.55 114.80 1wf5 h SER 116 Ca -0.27 0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1wf5 h SER 116 Cb 1.16 0.87 0.00 0.00 -0.44 0.00 0.00 62.40 64.00 1wf5 h SER 116 CO 1.18 -0.24 0.00 0.61 -0.53 0.00 0.00 176.83 177.86 1wf5 n GLY 117 N -1.25 2.35 3.57 5.77 0.00 -1.26 -4.84 105.19 109.54 1wf5 n GLY 117 Ca 0.01 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 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 -3.01 3.16 -0.25 1.61 0.04 -1.26 -4.88 135.00 130.41 1wf5 s PRO 118 Ca 0.00 -1.13 -0.01 0.00 0.04 0.00 0.00 61.00 59.90 1wf5 s PRO 118 Cb 0.00 -5.30 0.07 0.00 0.04 0.00 0.00 34.50 29.31 1wf5 s PRO 118 CO 0.00 -2.95 0.02 -1.54 0.04 0.00 0.00 177.00 172.57 1wf5 s SER 119 N 5.94 3.65 -0.37 6.66 1.04 -1.26 -5.10 113.70 124.26 1wf5 s SER 119 Ca 0.59 -1.24 -0.13 0.00 0.48 0.00 0.00 55.95 55.66 1wf5 s SER 119 Cb -0.01 -0.94 0.00 0.00 0.10 0.00 0.00 66.02 65.17 1wf5 s SER 119 CO 0.02 -0.31 0.25 -0.94 0.98 0.00 0.00 173.24 173.25 1wf5 s SER 120 N 1.57 6.01 0.00 7.02 1.04 -1.26 -5.22 113.70 122.86 1wf5 s SER 120 Ca 0.01 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1wf5 s SER 120 Cb -0.18 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.81 1wf5 s SER 120 CO -0.12 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.38