#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 -2.28 -1.42 1.61 2.88 -1.26 -4.89 113.62 108.25 1wf5 n SER 2 Ca 0.00 1.04 0.18 0.00 -1.33 0.00 0.00 58.87 58.75 1wf5 n SER 2 Cb 0.00 -4.24 -0.07 0.00 -0.75 0.00 0.00 64.21 59.15 1wf5 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wf5 n SER 3 N 1.08 -8.35 0.00 -3.46 2.88 -1.26 -5.05 113.62 99.47 1wf5 n SER 3 Ca -0.24 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.32 1wf5 n SER 3 Cb 0.37 -4.61 0.00 0.00 -0.75 0.00 0.00 64.21 59.22 1wf5 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wf5 n GLY 4 N -4.23 0.43 2.75 0.46 0.00 -1.26 -5.11 105.19 98.24 1wf5 n GLY 4 Ca -0.04 -1.55 -0.03 0.00 0.00 0.00 0.00 46.02 44.40 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 0.00 -4.35 -1.29 1.61 7.64 -1.26 -4.83 113.62 111.13 1wf5 n SER 5 Ca 0.00 1.26 0.16 0.00 1.01 0.00 0.00 58.87 61.30 1wf5 n SER 5 Cb 0.00 -4.55 -0.07 0.00 -1.01 0.00 0.00 64.21 58.59 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 1.44 -7.63 0.00 6.43 2.88 -1.26 -4.95 113.62 110.52 1wf5 n SER 6 Ca -0.20 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 1wf5 n SER 6 Cb 0.35 -4.25 0.00 0.00 -0.75 0.00 0.00 64.21 59.56 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 -4.12 0.88 2.68 0.46 0.00 -1.26 -5.06 105.19 98.76 1wf5 n GLY 7 Ca -0.05 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 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 0.64 0.82 -0.36 1.61 3.00 -1.26 -5.01 118.95 118.39 1wf5 s ARG 8 Ca 0.00 -1.23 -0.26 0.00 0.00 0.00 0.00 55.73 54.24 1wf5 s ARG 8 Cb 0.00 -0.73 0.04 0.00 0.00 0.00 0.00 34.95 34.25 1wf5 s ARG 8 CO 0.00 -1.28 0.50 0.43 0.00 0.00 0.00 175.30 174.95 1wf5 n SER 9 N 3.58 -6.30 -3.57 0.23 7.64 -1.26 -4.97 113.62 108.96 1wf5 n SER 9 Ca 0.18 0.16 -0.29 0.00 1.01 0.00 0.00 58.87 59.93 1wf5 n SER 9 Cb 0.49 -2.56 -0.13 0.00 -1.01 0.00 0.00 64.21 61.00 1wf5 n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wf5 s ALA 10 N -1.61 1.39 0.04 -0.43 0.00 -1.26 -5.11 121.76 114.79 1wf5 s ALA 10 Ca 0.27 -2.07 -0.08 0.00 0.00 0.00 0.00 51.96 50.08 1wf5 s ALA 10 Cb -0.04 -1.70 -0.00 0.00 0.00 0.00 0.00 23.12 21.38 1wf5 s ALA 10 CO 0.70 -2.04 0.16 -1.58 0.00 0.00 0.00 175.76 173.00 1wf5 s HIS 11 N 0.90 0.11 0.51 0.00 2.46 -1.26 -5.11 115.29 112.90 1wf5 s HIS 11 Ca 0.17 -0.37 0.00 0.00 0.47 0.00 0.00 55.06 55.32 1wf5 s HIS 11 Cb -0.23 -0.07 0.00 0.00 -0.13 0.00 0.00 32.58 32.15 1wf5 s HIS 11 CO -0.03 -0.41 0.00 1.28 -2.47 0.00 0.00 174.74 173.11 1wf5 n LEU 12 N 0.66 -1.04 -4.52 8.88 4.77 -1.26 -4.57 117.00 119.93 1wf5 n LEU 12 Ca -0.19 2.13 -0.46 0.00 -0.03 0.00 0.00 56.01 57.47 1wf5 n LEU 12 Cb 0.59 -2.49 -0.05 0.00 -2.33 0.00 0.00 43.42 39.13 1wf5 n LEU 12 CO 0.22 -1.42 1.87 0.54 -1.33 0.00 0.00 177.39 177.27 1wf5 n ARG 13 N -3.45 1.37 -4.22 3.23 1.74 -1.26 -4.92 116.66 109.13 1wf5 n ARG 13 Ca -0.05 0.34 -0.34 0.00 -0.77 0.00 0.00 57.85 57.02 1wf5 n ARG 13 Cb 0.52 -2.84 -0.11 0.00 -1.02 0.00 0.00 32.46 29.00 1wf5 n ARG 13 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wf5 s VAL 14 N 8.37 4.24 -0.84 1.55 0.11 -1.26 -5.04 120.40 127.53 1wf5 s VAL 14 Ca 1.06 -0.23 -0.25 0.00 -2.93 0.00 0.00 61.98 59.63 1wf5 s VAL 14 Cb -0.59 -2.89 0.01 0.00 -1.53 0.00 0.00 36.38 31.38 1wf5 s VAL 14 CO 0.41 0.48 1.59 -0.13 -3.33 0.00 0.00 175.10 174.12 1wf5 s ARG 15 N 0.41 3.07 0.37 1.54 0.52 -1.26 -4.09 118.95 119.51 1wf5 s ARG 15 Ca -0.01 -0.37 0.08 0.00 -0.52 0.00 0.00 55.73 54.91 1wf5 s ARG 15 Cb -0.14 -4.79 -0.03 0.00 0.52 0.00 0.00 34.95 30.52 1wf5 s ARG 15 CO 0.02 -2.55 0.30 1.14 0.02 0.00 0.00 175.30 174.23 1wf5 s GLN 16 N 6.03 2.59 0.49 3.54 0.00 -1.26 -4.91 119.66 126.13 1wf5 s GLN 16 Ca 0.52 -1.44 -0.24 0.00 -0.00 0.00 0.00 55.36 54.21 1wf5 s GLN 16 Cb -0.06 -2.38 -0.07 0.00 0.00 0.00 0.00 33.01 30.50 1wf5 s GLN 16 CO 0.05 -0.02 1.35 -0.51 0.00 0.00 0.00 175.29 176.16 1wf5 s LEU 17 N -4.02 4.00 0.00 2.60 1.43 -1.26 -3.50 118.68 117.93 1wf5 s LEU 17 Ca 0.43 2.75 -0.15 0.00 -1.03 0.00 0.00 54.13 56.13 1wf5 s LEU 17 Cb -0.04 -4.11 0.22 0.00 0.03 0.00 0.00 46.19 42.29 1wf5 s LEU 17 CO 0.26 -1.28 1.01 -0.81 0.23 0.00 0.00 176.35 175.76 1wf5 n PRO 18 N -0.56 -1.91 -4.45 1.29 -0.04 -1.26 -4.24 135.00 123.83 1wf5 n PRO 18 Ca 0.07 -1.58 -0.24 0.00 -0.04 0.00 0.00 63.50 61.71 1wf5 n PRO 18 Cb 0.44 -1.25 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 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 -3.04 2.24 0.98 0.54 3.76 -1.22 -4.20 115.29 114.35 1wf5 s HIS 19 Ca 0.61 -0.35 -0.11 0.00 -0.15 0.00 0.00 55.06 55.05 1wf5 s HIS 19 Cb -0.04 -0.99 0.18 0.00 1.11 0.00 0.00 32.58 32.84 1wf5 s HIS 19 CO 0.45 0.67 1.09 0.00 -0.85 0.00 0.00 174.74 176.09 1wf5 s ALA 20 N -2.46 0.94 0.57 -1.40 0.00 -1.24 -4.20 121.76 113.97 1wf5 s ALA 20 Ca 0.28 0.11 -0.16 0.00 0.00 0.00 0.00 51.96 52.19 1wf5 s ALA 20 Cb -0.05 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 1wf5 s ALA 20 CO 0.14 -2.90 1.05 -1.25 0.00 0.00 0.00 175.76 172.80 1wf5 s PRO 21 N -4.71 3.44 0.55 0.00 0.04 -1.26 -4.63 135.00 128.43 1wf5 s PRO 21 Ca 0.66 1.19 0.07 0.00 0.04 0.00 0.00 61.00 62.96 1wf5 s PRO 21 Cb -0.21 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.33 1wf5 s PRO 21 CO 0.59 -0.71 0.56 -1.21 0.04 0.00 0.00 177.00 176.28 1wf5 s GLU 22 N -3.99 2.29 -1.06 4.56 2.02 -1.20 -4.57 118.70 116.76 1wf5 s GLU 22 Ca 0.63 -1.85 -0.17 0.00 0.02 0.00 0.00 54.97 53.60 1wf5 s GLU 22 Cb -0.15 -2.33 0.02 0.00 0.10 0.00 0.00 34.13 31.77 1wf5 s GLU 22 CO 0.34 -0.70 0.33 1.58 0.02 0.00 0.00 175.26 176.83 1wf5 n HIS 23 N -1.95 -1.04 -2.33 1.61 -0.00 -1.26 0.06 115.22 110.32 1wf5 n HIS 23 Ca 0.06 0.20 -0.35 0.00 0.46 0.00 0.00 57.72 58.09 1wf5 n HIS 23 Cb 0.63 -2.17 -0.03 0.00 -0.12 0.00 0.00 29.99 28.30 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 -6.77 3.23 -0.07 1.57 0.04 -1.26 -3.86 135.00 127.88 1wf5 s PRO 24 Ca 0.24 -1.43 -0.10 0.00 0.04 0.00 0.00 61.00 59.74 1wf5 s PRO 24 Cb -0.13 -5.36 -0.05 0.00 0.04 0.00 0.00 34.50 29.00 1wf5 s PRO 24 CO 0.77 -3.04 0.26 0.08 0.04 0.00 0.00 177.00 175.11 1wf5 s VAL 25 N 7.52 5.30 -0.06 -0.36 1.01 0.17 -4.45 120.40 129.52 1wf5 s VAL 25 Ca 0.60 0.49 -0.01 0.00 0.00 0.00 0.00 61.98 63.06 1wf5 s VAL 25 Cb 0.01 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.88 1wf5 s VAL 25 CO 0.08 0.60 0.01 0.00 0.00 0.00 0.00 175.10 175.79 1wf5 s ALA 26 N -1.04 0.55 0.01 5.51 0.00 -1.26 0.47 121.76 126.01 1wf5 s ALA 26 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1wf5 s ALA 26 Cb -0.14 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 1wf5 s ALA 26 CO 0.08 -0.40 -0.02 0.95 0.00 0.00 0.00 175.76 176.37 1wf5 s THR 27 N 1.87 0.09 1.07 0.00 -4.23 0.10 -4.74 115.64 109.79 1wf5 s THR 27 Ca 0.03 -0.33 -0.13 0.00 -1.18 0.00 0.00 61.69 60.07 1wf5 s THR 27 Cb -0.12 -0.13 0.18 0.00 1.34 0.00 0.00 72.50 73.76 1wf5 s THR 27 CO -0.04 -0.16 0.76 -0.11 -0.54 0.00 0.00 174.62 174.53 1wf5 n LEU 28 N 2.56 -0.22 -4.53 4.79 7.94 -1.26 0.21 117.00 126.49 1wf5 n LEU 28 Ca -0.16 0.07 -0.43 0.00 -1.11 0.00 0.00 56.01 54.38 1wf5 n LEU 28 Cb 0.58 -1.25 -0.05 0.00 0.53 0.00 0.00 43.42 43.23 1wf5 n LEU 28 CO 0.24 -3.02 0.61 -0.55 -1.11 0.00 0.00 177.39 173.56 1wf5 s SER 29 N -2.29 6.37 0.00 1.96 0.15 0.45 -4.25 113.70 116.09 1wf5 s SER 29 Ca 0.64 -0.26 0.27 0.00 0.70 0.00 0.00 55.95 57.30 1wf5 s SER 29 Cb -0.22 -2.40 1.59 0.00 -1.71 0.00 0.00 66.02 63.29 1wf5 s SER 29 CO 0.64 -1.02 1.94 0.35 1.20 0.00 0.00 173.24 176.35 1wf5 n THR 30 N 6.12 0.00 -0.04 6.45 -2.24 -1.26 -2.90 114.28 120.41 1wf5 n THR 30 Ca 0.01 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.75 1wf5 n THR 30 Cb 0.48 -0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 68.07 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 -1.00 0.48 -4.27 2.28 0.24 -1.26 -5.03 118.33 109.77 1wf5 n VAL 31 Ca 0.20 -0.26 -0.28 0.00 -2.04 0.00 0.00 64.34 61.96 1wf5 n VAL 31 Cb 0.09 -0.82 -0.10 0.00 -1.47 0.00 0.00 33.84 31.55 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 -2.17 2.02 0.22 7.34 0.41 -1.14 -5.13 118.70 120.25 1wf5 s GLU 32 Ca -0.06 -1.17 -0.07 0.00 -0.41 0.00 0.00 54.97 53.26 1wf5 s GLU 32 Cb 0.02 -2.20 -0.06 0.00 -1.78 0.00 0.00 34.13 30.11 1wf5 s GLU 32 CO 0.25 0.47 0.50 1.03 -0.49 0.00 0.00 175.26 177.02 1wf5 s ARG 33 N -2.47 3.72 -1.20 1.61 1.81 -1.26 -4.12 118.95 117.04 1wf5 s ARG 33 Ca 0.22 0.13 -0.11 0.00 -1.72 0.00 0.00 55.73 54.25 1wf5 s ARG 33 Cb -0.10 -2.70 0.10 0.00 -0.45 0.00 0.00 34.95 31.80 1wf5 s ARG 33 CO 0.14 0.34 0.43 0.54 -0.68 0.00 0.00 175.30 176.06 1wf5 n ARG 34 N -0.23 -2.76 -4.35 3.54 1.74 -1.26 -4.74 116.66 108.59 1wf5 n ARG 34 Ca -0.01 0.33 -0.21 0.00 -0.77 0.00 0.00 57.85 57.19 1wf5 n ARG 34 Cb 0.52 -4.97 -0.16 0.00 -1.02 0.00 0.00 32.46 26.83 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 -2.85 0.85 0.02 7.54 0.00 -1.26 -2.17 121.76 123.90 1wf5 s ALA 35 Ca 0.43 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.14 1wf5 s ALA 35 Cb -0.23 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 1wf5 s ALA 35 CO 0.52 0.10 0.03 0.42 0.00 0.00 0.00 175.76 176.83 1wf5 s ILE 36 N 0.43 4.34 -0.24 0.00 1.01 -0.61 0.17 121.20 126.30 1wf5 s ILE 36 Ca -0.07 -0.62 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 1wf5 s ILE 36 Cb -0.11 -2.99 0.02 0.00 0.01 0.00 0.00 42.46 39.39 1wf5 s ILE 36 CO 0.01 0.30 -0.05 0.20 0.00 0.00 0.00 174.94 175.40 1wf5 s ASN 37 N -1.81 4.30 -0.11 3.58 0.01 0.56 -1.46 114.94 120.00 1wf5 s ASN 37 Ca 0.22 -0.73 -0.05 0.00 -0.71 0.00 0.00 52.86 51.59 1wf5 s ASN 37 Cb -0.12 -1.69 -0.04 0.00 0.41 0.00 0.00 41.25 39.82 1wf5 s ASN 37 CO 0.14 -0.10 0.08 -0.22 -1.51 0.00 0.00 177.10 175.49 1wf5 s LEU 38 N 1.37 4.04 -0.06 0.60 2.96 0.71 0.00 118.68 128.31 1wf5 s LEU 38 Ca 0.02 0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 54.23 1wf5 s LEU 38 Cb -0.16 -1.97 0.04 0.00 0.50 0.00 0.00 46.19 44.60 1wf5 s LEU 38 CO -0.04 0.38 0.11 0.42 -1.32 0.00 0.00 176.35 175.90 1wf5 s THR 39 N -0.89 -0.15 0.23 3.68 -4.23 0.18 -1.82 115.64 112.64 1wf5 s THR 39 Ca 0.14 0.34 0.01 0.00 -1.18 0.00 0.00 61.69 61.00 1wf5 s THR 39 Cb -0.12 -0.21 -0.05 0.00 1.34 0.00 0.00 72.50 73.47 1wf5 s THR 39 CO 0.03 0.14 0.07 -1.66 -0.54 0.00 0.00 174.62 172.66 1wf5 s TRP 40 N 1.92 1.45 0.25 3.99 -2.14 0.92 0.42 118.94 125.75 1wf5 s TRP 40 Ca 0.00 -1.13 -0.00 0.00 2.66 0.00 0.00 56.10 57.63 1wf5 s TRP 40 Cb -0.12 -0.84 -0.04 0.00 -3.10 0.00 0.00 33.47 29.37 1wf5 s TRP 40 CO -0.04 -0.29 0.45 0.99 -2.66 0.00 0.00 176.95 175.39 1wf5 s THR 41 N -3.72 5.17 -0.38 0.66 2.01 0.11 -4.68 115.64 114.81 1wf5 s THR 41 Ca 0.34 -0.42 -0.29 0.00 0.31 0.00 0.00 61.69 61.63 1wf5 s THR 41 Cb 0.07 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.82 1wf5 s THR 41 CO 0.11 -0.31 1.17 -0.75 -0.69 0.00 0.00 174.62 174.15 1wf5 s LYS 42 N -3.68 3.87 1.02 4.92 2.36 -1.26 -3.24 119.74 123.73 1wf5 s LYS 42 Ca 0.39 0.92 -0.16 0.00 -2.55 0.00 0.00 55.97 54.57 1wf5 s LYS 42 Cb -0.10 -3.85 0.21 0.00 -1.05 0.00 0.00 37.83 33.03 1wf5 s LYS 42 CO 0.31 -1.18 1.19 -1.25 1.55 0.00 0.00 175.35 175.97 1wf5 s PRO 43 N 4.16 0.22 -0.18 4.03 0.04 -1.26 -4.91 135.00 137.09 1wf5 s PRO 43 Ca 0.50 -0.06 -0.18 0.00 0.04 0.00 0.00 61.00 61.30 1wf5 s PRO 43 Cb -0.11 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 1wf5 s PRO 43 CO 0.24 -2.75 0.51 0.12 0.04 0.00 0.00 177.00 175.16 1wf5 s PHE 44 N -3.40 3.41 0.09 0.56 2.19 -1.26 -4.99 117.98 114.58 1wf5 s PHE 44 Ca 0.69 0.80 -0.21 0.00 0.33 0.00 0.00 56.93 58.55 1wf5 s PHE 44 Cb -0.09 -2.64 -0.07 0.00 -1.31 0.00 0.00 43.02 38.91 1wf5 s PHE 44 CO 0.54 -0.03 0.64 0.16 1.83 0.00 0.00 175.22 178.36 1wf5 s ASP 45 N 1.02 7.15 0.00 6.13 1.47 -1.26 -3.41 116.67 127.77 1wf5 s ASP 45 Ca 0.25 1.37 0.00 0.00 1.18 0.00 0.00 52.55 55.34 1wf5 s ASP 45 Cb -0.15 -2.40 0.00 0.00 -0.34 0.00 0.00 42.92 40.02 1wf5 s ASP 45 CO 0.10 0.23 0.74 0.61 0.68 0.00 0.00 175.17 177.52 1wf5 n GLY 46 N 1.78 -2.62 0.88 2.12 0.00 -1.23 -4.43 105.19 101.69 1wf5 n GLY 46 Ca -0.08 0.51 -0.05 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.47 -0.76 -3.79 1.61 3.02 -1.26 -4.61 115.26 107.01 1wf5 n ASN 47 Ca 0.00 -1.52 -0.09 0.00 -0.03 0.00 0.00 54.58 52.93 1wf5 n ASN 47 Cb 0.00 0.23 -0.07 0.00 -0.61 0.00 0.00 39.78 39.33 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 -0.76 0.00 -0.09 6.41 0.15 -1.26 -4.82 113.70 113.33 1wf5 s SER 48 Ca 0.00 -0.51 -0.30 0.00 0.70 0.00 0.00 55.95 55.84 1wf5 s SER 48 Cb 0.00 0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 64.66 1wf5 s SER 48 CO 0.00 -0.75 1.24 -2.16 1.20 0.00 0.00 173.24 172.77 1wf5 s PRO 49 N -3.70 4.30 0.92 5.44 0.04 -1.26 -4.73 135.00 136.02 1wf5 s PRO 49 Ca 0.03 1.69 -0.17 0.00 0.04 0.00 0.00 61.00 62.59 1wf5 s PRO 49 Cb 0.03 -3.63 -0.15 0.00 0.04 0.00 0.00 34.50 30.79 1wf5 s PRO 49 CO -0.10 -0.55 -0.70 1.28 0.04 0.00 0.00 177.00 176.97 1wf5 n LEU 50 N 5.72 -5.66 -0.05 -3.56 4.77 -1.26 -4.58 117.00 112.37 1wf5 n LEU 50 Ca 0.12 0.25 -0.11 0.00 -0.03 0.00 0.00 56.01 56.24 1wf5 n LEU 50 Cb 0.46 -0.78 -0.04 0.00 -2.33 0.00 0.00 43.42 40.73 1wf5 n LEU 50 CO 0.56 -5.85 -0.77 -0.38 -1.33 0.00 0.00 177.39 169.62 1wf5 n ILE 51 N -2.36 0.86 -3.83 -0.08 5.41 0.12 -4.83 119.36 114.66 1wf5 n ILE 51 Ca -0.00 -0.05 -0.04 0.00 1.00 0.00 0.00 62.75 63.65 1wf5 n ILE 51 Cb 0.55 -1.74 0.01 0.00 -0.71 0.00 0.00 39.64 37.75 1wf5 n ILE 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wf5 s ARG 52 N -2.28 1.43 -0.02 0.38 1.70 -0.27 -4.23 118.95 115.66 1wf5 s ARG 52 Ca -0.16 -0.88 0.02 0.00 -0.47 0.00 0.00 55.73 54.23 1wf5 s ARG 52 Cb 0.05 0.43 0.01 0.00 -0.57 0.00 0.00 34.95 34.87 1wf5 s ARG 52 CO 0.21 -0.67 -0.07 0.71 -1.08 0.00 0.00 175.30 174.41 1wf5 s TYR 53 N -2.60 0.75 -0.57 5.89 1.51 -1.16 -0.85 117.35 120.31 1wf5 s TYR 53 Ca 0.17 -0.18 -0.17 0.00 -1.01 0.00 0.00 57.07 55.88 1wf5 s TYR 53 Cb -0.03 -0.56 0.12 0.00 -0.11 0.00 0.00 41.96 41.38 1wf5 s TYR 53 CO 0.05 -0.10 0.60 0.42 -1.11 0.00 0.00 175.55 175.41 1wf5 s ILE 54 N 0.31 5.05 -0.24 2.71 1.01 -1.24 -3.32 121.20 125.47 1wf5 s ILE 54 Ca -0.04 -1.30 -0.23 0.00 0.00 0.00 0.00 60.65 59.08 1wf5 s ILE 54 Cb -0.08 -4.41 -0.01 0.00 0.01 0.00 0.00 42.46 37.96 1wf5 s ILE 54 CO 0.00 -0.99 0.76 -0.22 0.00 0.00 0.00 174.94 174.49 1wf5 s LEU 55 N 2.05 4.08 -0.15 2.97 2.96 -0.54 -3.10 118.68 126.94 1wf5 s LEU 55 Ca 0.07 0.93 -0.03 0.00 -0.22 0.00 0.00 54.13 54.88 1wf5 s LEU 55 Cb -0.27 -3.07 -0.03 0.00 0.50 0.00 0.00 46.19 43.32 1wf5 s LEU 55 CO 0.04 -0.45 -0.05 -1.61 -1.32 0.00 0.00 176.35 172.96 1wf5 s GLU 56 N 2.65 3.63 -0.11 1.98 2.02 -0.51 -1.15 118.70 127.21 1wf5 s GLU 56 Ca 0.32 -0.54 -0.05 0.00 0.02 0.00 0.00 54.97 54.72 1wf5 s GLU 56 Cb -0.15 -2.88 -0.04 0.00 0.10 0.00 0.00 34.13 31.16 1wf5 s GLU 56 CO 0.08 0.23 0.07 1.41 0.02 0.00 0.00 175.26 177.07 1wf5 s MET 57 N 0.38 3.31 -0.28 1.61 -2.45 -0.17 -1.06 119.30 120.64 1wf5 s MET 57 Ca -0.05 -0.27 0.02 0.00 -1.25 0.00 0.00 55.69 54.13 1wf5 s MET 57 Cb -0.14 -3.03 0.08 0.00 1.25 0.00 0.00 34.83 32.99 1wf5 s MET 57 CO 0.03 0.69 0.01 0.45 1.05 0.00 0.00 175.02 177.25 1wf5 s SER 58 N -0.80 4.21 0.00 1.11 0.15 0.01 -0.10 113.70 118.27 1wf5 s SER 58 Ca 0.13 -1.59 0.00 0.00 0.70 0.00 0.00 55.95 55.19 1wf5 s SER 58 Cb -0.12 -1.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.92 1wf5 s SER 58 CO 0.03 -0.32 0.00 1.21 1.20 0.00 0.00 173.24 175.36 1wf5 n GLU 59 N 4.57 2.27 -1.88 5.44 2.13 -1.26 0.58 120.64 132.49 1wf5 n GLU 59 Ca -0.05 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.46 1wf5 n GLU 59 Cb 0.43 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.10 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 -1.44 4.86 -0.56 4.31 0.01 -1.07 -2.33 114.94 118.72 1wf5 s ASN 60 Ca 0.00 0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.30 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 -2.81 0.00 -3.20 -1.51 0.00 0.00 177.10 169.58 1wf5 n ASN 61 N 14.62 -5.41 -4.79 -1.22 2.85 -1.26 -4.94 115.26 115.11 1wf5 n ASN 61 Ca 0.33 0.13 -0.36 0.00 -0.11 0.00 0.00 54.58 54.58 1wf5 n ASN 61 Cb 0.50 -3.38 -0.04 0.00 1.24 0.00 0.00 39.78 38.10 1wf5 n ASN 61 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wf5 s ALA 62 N -1.61 3.03 0.36 5.20 0.00 -0.99 -5.01 121.76 122.75 1wf5 s ALA 62 Ca 0.00 0.65 -0.26 0.00 0.00 0.00 0.00 51.96 52.36 1wf5 s ALA 62 Cb 0.00 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 1wf5 s ALA 62 CO 0.00 -0.21 1.06 -1.25 0.00 0.00 0.00 175.76 175.37 1wf5 s PRO 63 N -2.72 4.32 -0.49 0.00 0.04 -1.26 -4.01 135.00 130.87 1wf5 s PRO 63 Ca 0.60 1.60 -0.39 0.00 0.04 0.00 0.00 61.00 62.85 1wf5 s PRO 63 Cb -0.20 -2.75 -0.16 0.00 0.04 0.00 0.00 34.50 31.43 1wf5 s PRO 63 CO 0.24 -0.03 2.21 0.91 0.04 0.00 0.00 177.00 180.38 1wf5 n TRP 64 N 0.33 1.26 -3.72 0.56 7.02 -1.26 -4.65 117.44 116.98 1wf5 n TRP 64 Ca 0.03 0.55 -0.38 0.00 -1.02 0.00 0.00 57.50 56.68 1wf5 n TRP 64 Cb 0.48 -2.39 -0.12 0.00 -2.42 0.00 0.00 31.31 26.86 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 6.88 4.25 -0.56 -0.99 -1.32 0.86 -4.84 115.64 119.91 1wf5 s THR 65 Ca 1.17 -0.55 -0.27 0.00 -1.21 0.00 0.00 61.69 60.83 1wf5 s THR 65 Cb -1.23 -3.17 -0.10 0.00 -1.51 0.00 0.00 72.50 66.50 1wf5 s THR 65 CO 0.58 0.09 2.45 0.52 -2.21 0.00 0.00 174.62 176.05 1wf5 n VAL 66 N 4.92 -0.04 -0.06 5.08 0.31 -1.26 -1.00 118.33 126.27 1wf5 n VAL 66 Ca -0.14 -0.63 -0.07 0.00 -0.01 0.00 0.00 64.34 63.48 1wf5 n VAL 66 Cb 0.49 -2.37 -0.06 0.00 -0.91 0.00 0.00 33.84 30.99 1wf5 n VAL 66 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1wf5 h LEU 67 N 17.88 0.00 -7.96 7.52 5.85 -1.49 -3.44 115.31 133.67 1wf5 h LEU 67 Ca -0.22 -0.39 -0.68 0.00 0.84 0.00 0.00 57.88 57.44 1wf5 h LEU 67 Cb 1.28 0.00 -0.35 0.00 0.37 0.00 0.00 40.66 41.96 1wf5 h LEU 67 CO 1.18 0.80 -0.76 -0.22 -0.34 0.00 0.00 178.44 179.11 1wf5 s LEU 68 N -8.33 3.58 0.01 2.25 0.20 -1.06 -4.95 118.68 110.39 1wf5 s LEU 68 Ca -0.11 -1.30 0.04 0.00 0.69 0.00 0.00 54.13 53.45 1wf5 s LEU 68 Cb -0.00 -1.62 -0.25 0.00 -0.43 0.00 0.00 46.19 43.89 1wf5 s LEU 68 CO 0.32 -0.21 0.88 0.00 -0.29 0.00 0.00 176.35 177.05 1wf5 h ALA 69 N 7.88 0.45 -3.02 5.97 0.00 -1.85 -1.44 119.26 127.25 1wf5 h ALA 69 Ca -0.21 -1.18 -0.70 0.00 0.00 0.00 0.00 54.91 52.81 1wf5 h ALA 69 Cb 1.05 0.26 -0.32 0.00 0.00 0.00 0.00 17.79 18.78 1wf5 h ALA 69 CO 0.50 1.31 -0.52 0.45 0.00 0.00 0.00 179.25 181.00 1wf5 s SER 70 N -6.65 5.37 0.10 0.00 0.15 -1.26 -4.47 113.70 106.96 1wf5 s SER 70 Ca -0.06 -1.89 0.10 0.00 0.70 0.00 0.00 55.95 54.81 1wf5 s SER 70 Cb 0.08 -1.88 -0.04 0.00 -1.71 0.00 0.00 66.02 62.47 1wf5 s SER 70 CO 0.83 -0.56 -0.26 -0.69 1.20 0.00 0.00 173.24 173.77 1wf5 s VAL 71 N 1.23 2.16 0.25 4.45 1.01 -1.21 -4.94 120.40 123.35 1wf5 s VAL 71 Ca 0.06 -1.64 -0.30 0.00 0.00 0.00 0.00 61.98 60.11 1wf5 s VAL 71 Cb -0.23 -1.90 -0.09 0.00 0.00 0.00 0.00 36.38 34.15 1wf5 s VAL 71 CO -0.02 0.14 1.28 -1.81 0.00 0.00 0.00 175.10 174.68 1wf5 s ASP 72 N -1.83 6.92 0.46 3.32 1.11 -1.26 -2.99 116.67 122.40 1wf5 s ASP 72 Ca 0.13 2.47 0.26 0.00 0.18 0.00 0.00 52.55 55.58 1wf5 s ASP 72 Cb -0.10 -2.62 0.78 0.00 1.07 0.00 0.00 42.92 42.05 1wf5 s ASP 72 CO 0.05 -0.47 1.77 1.55 1.18 0.00 0.00 175.17 179.25 1wf5 h PRO 73 N 4.53 0.00 -0.01 8.23 0.13 -1.88 -2.53 132.00 140.47 1wf5 h PRO 73 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.72 0.09 -0.16 1.63 -0.23 0.00 0.00 178.00 180.05 1wf5 n LYS 74 N -3.16 1.24 -3.30 0.86 5.02 -1.26 -4.83 118.16 112.73 1wf5 n LYS 74 Ca 0.02 -0.77 -0.38 0.00 -2.02 0.00 0.00 58.31 55.16 1wf5 n LYS 74 Cb 0.45 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 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 -2.29 3.50 -1.20 7.82 0.00 -0.95 -4.93 121.76 123.71 1wf5 s ALA 75 Ca 0.29 -0.27 0.10 0.00 0.00 0.00 0.00 51.96 52.08 1wf5 s ALA 75 Cb 0.20 -2.70 0.08 0.00 0.00 0.00 0.00 23.12 20.70 1wf5 s ALA 75 CO 0.44 -0.15 0.81 0.25 0.00 0.00 0.00 175.76 177.12 1wf5 n THR 76 N 3.97 0.02 -3.91 0.00 -2.24 -1.26 -4.87 114.28 105.98 1wf5 n THR 76 Ca -0.06 -0.51 -0.10 0.00 -2.27 0.00 0.00 64.05 61.11 1wf5 n THR 76 Cb 0.51 1.19 -0.10 0.00 -2.10 0.00 0.00 70.33 69.83 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 -0.81 0.12 0.05 3.42 1.04 -1.26 -0.05 113.70 116.21 1wf5 s SER 77 Ca 0.11 -0.35 -0.05 0.00 0.48 0.00 0.00 55.95 56.15 1wf5 s SER 77 Cb 0.08 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 1wf5 s SER 77 CO 0.12 -0.37 0.09 0.54 0.98 0.00 0.00 173.24 174.60 1wf5 s VAL 78 N -1.57 0.15 -0.04 5.02 0.11 -0.76 -4.97 120.40 118.34 1wf5 s VAL 78 Ca -0.14 -1.28 0.06 0.00 -2.93 0.00 0.00 61.98 57.70 1wf5 s VAL 78 Cb -0.08 -1.13 -0.01 0.00 -1.53 0.00 0.00 36.38 33.63 1wf5 s VAL 78 CO -0.00 -0.70 -0.24 -0.89 -3.33 0.00 0.00 175.10 169.93 1wf5 s THR 79 N -3.18 1.97 -0.38 5.04 2.01 -1.26 -0.21 115.64 119.62 1wf5 s THR 79 Ca -0.00 -1.03 -0.02 0.00 0.31 0.00 0.00 61.69 60.94 1wf5 s THR 79 Cb 0.02 -1.65 0.10 0.00 0.01 0.00 0.00 72.50 70.98 1wf5 s THR 79 CO -0.07 0.55 0.16 -0.69 -0.69 0.00 0.00 174.62 173.87 1wf5 s VAL 80 N -0.29 3.17 0.49 3.82 1.01 -0.53 -4.93 120.40 123.14 1wf5 s VAL 80 Ca 0.01 -1.95 -0.02 0.00 0.00 0.00 0.00 61.98 60.02 1wf5 s VAL 80 Cb -0.12 -3.12 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 1wf5 s VAL 80 CO 0.02 -0.58 0.75 -0.54 0.00 0.00 0.00 175.10 174.75 1wf5 s LYS 81 N 1.15 3.06 -0.47 2.72 1.02 -1.26 -1.57 119.74 124.38 1wf5 s LYS 81 Ca 0.06 -0.29 -0.00 0.00 0.02 0.00 0.00 55.97 55.76 1wf5 s LYS 81 Cb -0.22 -2.46 -0.00 0.00 -0.52 0.00 0.00 37.83 34.63 1wf5 s LYS 81 CO -0.04 -0.39 0.44 0.41 -0.92 0.00 0.00 175.35 174.85 1wf5 n GLY 82 N -2.25 -0.87 3.45 -3.33 0.00 -0.92 -4.97 105.19 96.30 1wf5 n GLY 82 Ca 0.02 0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.29 2.53 -0.03 0.99 1.43 -1.01 -5.06 118.68 114.25 1wf5 s LEU 83 Ca 0.01 -0.82 -0.18 0.00 -1.03 0.00 0.00 54.13 52.11 1wf5 s LEU 83 Cb -0.00 -1.26 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 1wf5 s LEU 83 CO 0.47 0.12 0.50 -0.69 0.23 0.00 0.00 176.35 176.98 1wf5 s VAL 84 N -1.69 5.00 0.38 -1.59 1.01 -1.26 -4.81 120.40 117.43 1wf5 s VAL 84 Ca 0.22 1.03 -0.25 0.00 0.00 0.00 0.00 61.98 62.98 1wf5 s VAL 84 Cb -0.08 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 1wf5 s VAL 84 CO 0.11 0.46 1.06 -2.16 0.00 0.00 0.00 175.10 174.57 1wf5 s PRO 85 N -0.33 4.24 -0.88 2.72 0.04 -1.26 -3.71 135.00 135.81 1wf5 s PRO 85 Ca 0.27 1.57 -0.00 0.00 0.04 0.00 0.00 61.00 62.87 1wf5 s PRO 85 Cb -0.17 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1wf5 s PRO 85 CO 0.14 -0.09 0.73 0.00 0.04 0.00 0.00 177.00 177.83 1wf5 n ALA 86 N 0.14 -1.43 -3.21 8.56 0.00 -0.16 -4.79 120.51 119.62 1wf5 n ALA 86 Ca 0.04 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 1wf5 n ALA 86 Cb 0.49 -2.04 -0.10 0.00 0.00 0.00 0.00 19.45 17.80 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 -5.05 0.50 0.30 0.00 0.52 -1.20 -4.93 118.95 109.09 1wf5 s ARG 87 Ca 0.03 0.10 -0.27 0.00 -0.52 0.00 0.00 55.73 55.07 1wf5 s ARG 87 Cb -0.01 0.23 -0.10 0.00 0.52 0.00 0.00 34.95 35.59 1wf5 s ARG 87 CO 0.53 -0.11 0.93 -1.54 0.02 0.00 0.00 175.30 175.13 1wf5 s SER 88 N -0.58 7.39 -0.06 0.23 1.04 -1.26 0.19 113.70 120.64 1wf5 s SER 88 Ca -0.07 1.83 -0.04 0.00 0.48 0.00 0.00 55.95 58.15 1wf5 s SER 88 Cb -0.04 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.54 1wf5 s SER 88 CO 0.02 -0.01 0.15 -0.31 0.98 0.00 0.00 173.24 174.08 1wf5 s TYR 89 N -1.51 -0.17 0.27 5.02 2.02 0.39 -2.59 117.35 120.78 1wf5 s TYR 89 Ca 0.47 0.46 0.06 0.00 -0.37 0.00 0.00 57.07 57.70 1wf5 s TYR 89 Cb -0.20 -0.02 -0.06 0.00 -0.40 0.00 0.00 41.96 41.28 1wf5 s TYR 89 CO 0.25 -0.13 -0.06 -0.65 -1.57 0.00 0.00 175.55 173.39 1wf5 s GLN 90 N 0.74 1.53 0.04 -0.62 -1.52 0.20 -1.12 119.66 118.90 1wf5 s GLN 90 Ca -0.05 -1.77 -0.13 0.00 -1.95 0.00 0.00 55.36 51.45 1wf5 s GLN 90 Cb -0.07 -1.11 0.02 0.00 -0.22 0.00 0.00 33.01 31.62 1wf5 s GLN 90 CO -0.04 0.03 0.29 -0.06 -0.25 0.00 0.00 175.29 175.27 1wf5 s PHE 91 N -3.04 -0.09 -0.30 0.91 0.08 -1.26 -0.81 117.98 113.47 1wf5 s PHE 91 Ca 0.29 -0.06 -0.12 0.00 0.12 0.00 0.00 56.93 57.16 1wf5 s PHE 91 Cb 0.04 0.08 0.18 0.00 -0.57 0.00 0.00 43.02 42.75 1wf5 s PHE 91 CO 0.11 -0.50 1.01 -0.98 -0.10 0.00 0.00 175.22 174.77 1wf5 s ARG 92 N -2.56 0.22 0.19 0.44 1.70 -0.22 -2.67 118.95 116.05 1wf5 s ARG 92 Ca -0.05 0.39 0.07 0.00 -0.47 0.00 0.00 55.73 55.67 1wf5 s ARG 92 Cb -0.01 0.22 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 1wf5 s ARG 92 CO -0.03 -0.24 0.03 -0.48 -1.08 0.00 0.00 175.30 173.50 1wf5 s LEU 93 N 2.94 3.40 0.48 -1.89 2.34 -1.26 -1.42 118.68 123.26 1wf5 s LEU 93 Ca 0.01 -0.39 0.03 0.00 0.06 0.00 0.00 54.13 53.84 1wf5 s LEU 93 Cb -0.11 -2.02 -0.03 0.00 -0.56 0.00 0.00 46.19 43.47 1wf5 s LEU 93 CO -0.12 0.06 0.02 0.00 -1.06 0.00 0.00 176.35 175.25 1wf5 s ALA 95 N -2.82 3.41 -0.14 0.00 0.00 -1.20 -3.65 121.76 117.36 1wf5 s ALA 95 Ca 0.16 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.13 1wf5 s ALA 95 Cb 0.04 -2.24 0.01 0.00 0.00 0.00 0.00 23.12 20.93 1wf5 s ALA 95 CO 0.08 -0.35 -0.21 0.08 0.00 0.00 0.00 175.76 175.36 1wf5 s VAL 96 N 1.37 2.12 0.26 0.00 1.01 -0.03 -0.90 120.40 124.24 1wf5 s VAL 96 Ca 0.06 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1wf5 s VAL 96 Cb -0.15 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1wf5 s VAL 96 CO 0.06 0.55 0.12 0.54 0.00 0.00 0.00 175.10 176.36 1wf5 s ASN 97 N 0.83 1.04 0.22 3.32 4.22 0.19 0.14 114.94 124.90 1wf5 s ASN 97 Ca -0.06 -1.42 -0.19 0.00 -2.14 0.00 0.00 52.86 49.05 1wf5 s ASN 97 Cb -0.15 0.25 0.21 0.00 1.28 0.00 0.00 41.25 42.84 1wf5 s ASN 97 CO -0.02 -0.79 1.55 -0.78 -2.04 0.00 0.00 177.10 175.03 1wf5 h ASP 98 N 2.40 -1.45 -0.75 3.54 3.58 -1.91 1.13 116.42 122.97 1wf5 h ASP 98 Ca -0.37 0.30 0.17 0.00 0.42 0.00 0.00 57.03 57.55 1wf5 h ASP 98 Cb 1.25 0.75 -0.13 0.00 1.72 0.00 0.00 39.33 42.92 1wf5 h ASP 98 CO 0.57 -0.29 -0.02 0.58 -2.88 0.00 0.00 179.24 177.21 1wf5 h VAL 99 N -0.02 0.33 0.00 2.25 2.07 -1.92 -3.47 116.25 115.49 1wf5 h VAL 99 Ca 0.32 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1wf5 h VAL 99 Cb 0.58 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1wf5 h VAL 99 CO -0.95 0.02 0.00 0.61 0.02 0.00 0.00 177.57 177.26 1wf5 n GLY 100 N -1.43 -0.26 3.69 2.17 0.00 0.39 -4.95 105.19 104.81 1wf5 n GLY 100 Ca 0.13 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 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 2.93 0.00 1.61 2.20 -1.26 0.54 119.74 123.76 1wf5 s LYS 101 Ca 0.00 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.14 1wf5 s LYS 101 Cb 0.00 -2.76 0.00 0.00 -1.51 0.00 0.00 37.83 33.56 1wf5 s LYS 101 CO 0.00 0.68 0.00 0.41 -0.36 0.00 0.00 175.35 176.08 1wf5 n GLY 102 N 1.86 0.79 3.25 5.54 0.00 -0.07 -4.81 105.19 111.76 1wf5 n GLY 102 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 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 1.00 1.29 -0.02 1.61 -2.07 -1.26 -4.94 119.66 115.27 1wf5 s GLN 103 Ca 0.00 -1.69 -0.03 0.00 -1.82 0.00 0.00 55.36 51.83 1wf5 s GLN 103 Cb 0.00 0.01 -0.04 0.00 -1.09 0.00 0.00 33.01 31.89 1wf5 s GLN 103 CO 0.00 -0.34 0.16 -0.06 -1.32 0.00 0.00 175.29 173.73 1wf5 s PHE 104 N -3.96 3.50 0.74 9.60 0.40 -1.26 -3.25 117.98 123.75 1wf5 s PHE 104 Ca 0.38 0.35 -0.14 0.00 -0.60 0.00 0.00 56.93 56.92 1wf5 s PHE 104 Cb 0.07 -1.83 0.04 0.00 0.51 0.00 0.00 43.02 41.82 1wf5 s PHE 104 CO 0.12 0.64 1.17 -1.54 0.70 0.00 0.00 175.22 176.32 1wf5 s SER 105 N -1.77 4.27 0.99 1.36 1.04 -0.37 -4.89 113.70 114.34 1wf5 s SER 105 Ca 0.25 2.24 -0.14 0.00 0.48 0.00 0.00 55.95 58.78 1wf5 s SER 105 Cb -0.12 -2.58 0.07 0.00 0.10 0.00 0.00 66.02 63.49 1wf5 s SER 105 CO 0.16 -2.20 0.43 2.29 0.98 0.00 0.00 173.24 174.90 1wf5 n LYS 106 N -2.85 -0.66 -1.90 4.02 -0.00 -1.26 -4.62 118.16 110.89 1wf5 n LYS 106 Ca 0.12 -0.15 -0.43 0.00 -0.00 0.00 0.00 58.31 57.85 1wf5 n LYS 106 Cb 0.51 -1.90 -0.03 0.00 -0.00 0.00 0.00 35.03 33.62 1wf5 n LYS 106 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1wf5 s ASP 107 N -2.07 6.04 0.52 -5.58 -4.77 -1.26 -4.75 116.67 104.80 1wf5 s ASP 107 Ca 0.58 1.75 -0.21 0.00 -3.30 0.00 0.00 52.55 51.38 1wf5 s ASP 107 Cb -0.20 -2.52 -0.08 0.00 -1.09 0.00 0.00 42.92 39.03 1wf5 s ASP 107 CO 0.66 -1.52 0.98 0.35 0.70 0.00 0.00 175.17 176.35 1wf5 n THR 108 N 6.88 3.05 -1.12 2.11 -2.24 -1.09 -4.65 114.28 117.21 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 0.45 -1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 67.41 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 -0.44 0.00 -0.80 -0.78 2.13 -1.26 -4.36 120.64 115.13 1wf5 n GLU 109 Ca 0.11 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.74 1wf5 n GLU 109 Cb 0.44 -1.30 -0.09 0.00 0.27 0.00 0.00 31.44 30.75 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 6.24 0.00 -2.97 5.31 0.63 -1.26 -4.77 116.66 119.83 1wf5 n ARG 110 Ca 0.46 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.97 1wf5 n ARG 110 Cb -0.04 -0.72 -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 3.50 4.72 -0.07 5.15 1.01 -0.28 -4.89 120.40 129.54 1wf5 s VAL 111 Ca 0.72 0.72 -0.05 0.00 0.00 0.00 0.00 61.98 63.37 1wf5 s VAL 111 Cb -0.61 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.50 1wf5 s VAL 111 CO 0.27 -0.50 0.13 -0.55 0.00 0.00 0.00 175.10 174.45 1wf5 s SER 112 N 1.92 6.22 0.18 3.32 0.15 -1.26 0.15 113.70 124.38 1wf5 s SER 112 Ca 0.30 0.38 -0.30 0.00 0.70 0.00 0.00 55.95 57.03 1wf5 s SER 112 Cb -0.13 -1.96 -0.08 0.00 -1.71 0.00 0.00 66.02 62.15 1wf5 s SER 112 CO 0.18 0.35 1.04 -0.22 1.20 0.00 0.00 173.24 175.80 1wf5 s LEU 113 N -1.34 4.52 0.05 3.45 1.98 0.51 -4.91 118.68 122.95 1wf5 s LEU 113 Ca 0.19 2.01 -0.30 0.00 -2.89 0.00 0.00 54.13 53.14 1wf5 s LEU 113 Cb -0.12 -3.60 -0.05 0.00 0.66 0.00 0.00 46.19 43.07 1wf5 s LEU 113 CO 0.09 -0.12 1.17 -2.16 -1.89 0.00 0.00 176.35 173.44 1wf5 s PRO 114 N -0.51 4.45 0.44 0.98 0.04 -1.26 -0.99 135.00 138.16 1wf5 s PRO 114 Ca 0.47 1.72 -0.25 0.00 0.04 0.00 0.00 61.00 62.98 1wf5 s PRO 114 Cb -0.28 -3.37 -0.09 0.00 0.04 0.00 0.00 34.50 30.81 1wf5 s PRO 114 CO 0.34 -0.23 1.39 -1.91 0.04 0.00 0.00 177.00 176.63 1wf5 n GLU 115 N 3.95 2.18 -2.37 4.56 2.13 -1.26 -3.79 120.64 126.04 1wf5 n GLU 115 Ca 0.09 0.78 -0.41 0.00 0.66 0.00 0.00 57.16 58.27 1wf5 n GLU 115 Cb 0.47 -2.57 -0.03 0.00 0.27 0.00 0.00 31.44 29.58 1wf5 n GLU 115 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1wf5 s SER 116 N -0.48 5.95 0.87 4.31 0.15 -1.26 -4.86 113.70 118.38 1wf5 s SER 116 Ca 0.61 0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.32 1wf5 s SER 116 Cb -0.46 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.30 1wf5 s SER 116 CO 0.58 -1.90 0.00 0.61 1.20 0.00 0.00 173.24 173.73 1wf5 n GLY 117 N 5.39 2.71 0.05 9.45 0.00 -1.26 -3.61 105.19 117.93 1wf5 n GLY 117 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 1wf5 n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf5 h PRO 118 N 0.00 -0.10 -6.46 1.61 0.13 -2.04 -3.49 132.00 121.65 1wf5 h PRO 118 Ca 0.00 0.01 -0.32 0.00 -0.87 0.00 0.00 66.00 64.81 1wf5 h PRO 118 Cb 0.00 0.02 0.02 0.00 0.13 0.00 0.00 31.00 31.17 1wf5 h PRO 118 CO 0.00 -0.07 -1.15 0.45 -0.23 0.00 0.00 178.00 177.00 1wf5 n SER 119 N -2.91 -5.77 -4.58 1.44 2.88 -1.24 -4.65 113.62 98.79 1wf5 n SER 119 Ca -0.01 -0.04 -0.41 0.00 -1.33 0.00 0.00 58.87 57.08 1wf5 n SER 119 Cb 0.04 -1.86 -0.03 0.00 -0.75 0.00 0.00 64.21 61.61 1wf5 n SER 119 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wf5 s SER 120 N -1.47 5.09 0.00 -3.46 1.04 -1.26 -5.01 113.70 108.62 1wf5 s SER 120 Ca 0.33 1.58 0.00 0.00 0.48 0.00 0.00 55.95 58.34 1wf5 s SER 120 Cb -0.04 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1wf5 s SER 120 CO 0.77 -2.30 0.27 0.61 0.98 0.00 0.00 173.24 173.57