#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 -7.02 -4.28 1.61 7.64 -1.26 -4.93 113.62 105.39 1wf5 n SER 2 Ca 0.00 1.43 -0.33 0.00 1.01 0.00 0.00 58.87 60.98 1wf5 n SER 2 Cb 0.00 -5.34 0.14 0.00 -1.01 0.00 0.00 64.21 58.01 1wf5 n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wf5 n SER 3 N 0.85 -2.50 -4.29 6.43 3.41 -1.26 -5.03 113.62 111.24 1wf5 n SER 3 Ca -0.06 0.01 -0.15 0.00 -0.26 0.00 0.00 58.87 58.41 1wf5 n SER 3 Cb 0.09 -0.97 -0.10 0.00 -0.26 0.00 0.00 64.21 62.97 1wf5 n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wf5 s GLY 4 N -1.78 1.36 -0.16 5.00 0.00 -1.26 -5.08 107.32 105.40 1wf5 s GLY 4 Ca 0.54 -1.66 -0.12 0.00 0.00 0.00 0.00 44.72 43.48 1wf5 s GLY 4 CO 0.67 -1.61 -0.05 0.23 0.00 0.00 0.00 173.10 172.35 1wf5 h SER 5 N 2.60 0.00 0.00 1.64 0.87 -2.05 -3.49 113.55 113.11 1wf5 h SER 5 Ca -0.37 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 1wf5 h SER 5 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1wf5 h SER 5 CO 0.64 0.93 0.00 -1.20 -0.53 0.00 0.00 176.83 176.67 1wf5 n SER 6 N -4.58 -0.32 0.00 6.23 7.64 -1.26 -5.10 113.62 116.23 1wf5 n SER 6 Ca -0.13 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1wf5 n SER 6 Cb 0.36 0.58 0.00 0.00 -1.01 0.00 0.00 64.21 64.14 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 -1.06 0.23 3.88 0.23 0.00 -1.26 -5.13 105.19 102.08 1wf5 n GLY 7 Ca 0.00 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 1wf5 n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wf5 s ARG 8 N -0.47 3.13 -0.52 1.61 3.03 -1.26 -5.08 118.95 119.39 1wf5 s ARG 8 Ca 0.00 -0.92 0.03 0.00 2.03 0.00 0.00 55.73 56.88 1wf5 s ARG 8 Cb 0.00 -2.70 0.13 0.00 -1.03 0.00 0.00 34.95 31.35 1wf5 s ARG 8 CO 0.00 0.42 0.26 -1.12 -1.13 0.00 0.00 175.30 173.74 1wf5 s SER 9 N -3.81 4.40 -0.05 -2.89 0.01 -1.26 -4.89 113.70 105.22 1wf5 s SER 9 Ca 0.33 -2.97 -0.08 0.00 1.31 0.00 0.00 55.95 54.54 1wf5 s SER 9 Cb -0.09 -1.66 -0.03 0.00 0.21 0.00 0.00 66.02 64.46 1wf5 s SER 9 CO 0.26 -0.25 -0.15 0.00 0.41 0.00 0.00 173.24 173.51 1wf5 n ALA 10 N 3.18 1.66 -1.21 1.44 0.00 -1.26 -5.01 120.51 119.31 1wf5 n ALA 10 Ca 0.05 -0.39 -0.35 0.00 0.00 0.00 0.00 53.44 52.75 1wf5 n ALA 10 Cb 0.33 0.09 0.11 0.00 0.00 0.00 0.00 19.45 19.98 1wf5 n ALA 10 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1wf5 n HIS 11 N -3.69 0.76 -2.09 0.00 1.44 -1.26 -4.53 115.22 105.85 1wf5 n HIS 11 Ca -0.06 0.39 -0.01 0.00 -2.01 0.00 0.00 57.72 56.03 1wf5 n HIS 11 Cb 0.23 -2.07 -0.00 0.00 0.12 0.00 0.00 29.99 28.26 1wf5 n HIS 11 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1wf5 n LEU 12 N -2.30 -5.57 -4.58 2.39 7.94 -1.26 -4.79 117.00 108.83 1wf5 n LEU 12 Ca 0.13 2.17 -0.42 0.00 -1.11 0.00 0.00 56.01 56.78 1wf5 n LEU 12 Cb 0.50 -2.76 -0.03 0.00 0.53 0.00 0.00 43.42 41.67 1wf5 n LEU 12 CO 0.49 -2.39 1.52 -0.13 -1.11 0.00 0.00 177.39 175.76 1wf5 s ARG 13 N -0.91 3.15 -0.17 1.96 3.00 -1.26 -4.96 118.95 119.76 1wf5 s ARG 13 Ca -0.03 1.12 -0.03 0.00 0.00 0.00 0.00 55.73 56.79 1wf5 s ARG 13 Cb 0.00 -4.23 -0.02 0.00 0.00 0.00 0.00 34.95 30.70 1wf5 s ARG 13 CO 0.08 -2.08 -0.05 0.54 0.00 0.00 0.00 175.30 173.78 1wf5 s VAL 14 N 7.36 3.62 -1.04 3.52 0.11 -1.26 -5.03 120.40 127.68 1wf5 s VAL 14 Ca 0.74 -0.44 -0.23 0.00 -2.93 0.00 0.00 61.98 59.12 1wf5 s VAL 14 Cb -0.18 -2.59 0.01 0.00 -1.53 0.00 0.00 36.38 32.09 1wf5 s VAL 14 CO 0.30 0.48 1.67 -0.13 -3.33 0.00 0.00 175.10 174.08 1wf5 s ARG 15 N 0.66 3.26 0.45 1.54 0.52 -1.26 -3.77 118.95 120.35 1wf5 s ARG 15 Ca -0.03 -1.00 0.08 0.00 -0.52 0.00 0.00 55.73 54.26 1wf5 s ARG 15 Cb -0.15 -5.29 0.02 0.00 0.52 0.00 0.00 34.95 30.05 1wf5 s ARG 15 CO 0.02 -2.70 0.57 1.14 0.02 0.00 0.00 175.30 174.36 1wf5 s GLN 16 N 5.58 2.67 0.40 3.54 -2.07 -1.26 -4.81 119.66 123.71 1wf5 s GLN 16 Ca 0.56 -1.39 -0.26 0.00 -1.82 0.00 0.00 55.36 52.44 1wf5 s GLN 16 Cb -0.01 -2.65 -0.10 0.00 -1.09 0.00 0.00 33.01 29.16 1wf5 s GLN 16 CO -0.03 -0.37 1.34 1.28 -1.32 0.00 0.00 175.29 176.19 1wf5 n LEU 17 N -1.86 4.28 0.00 2.60 4.77 -1.26 -3.05 117.00 122.48 1wf5 n LEU 17 Ca 0.08 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.21 1wf5 n LEU 17 Cb 0.60 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1wf5 n LEU 17 CO 0.40 -0.38 0.00 -0.81 -1.33 0.00 0.00 177.39 175.27 1wf5 n PRO 18 N 0.17 -0.30 -4.45 3.23 -0.04 -1.26 -4.01 135.00 128.33 1wf5 n PRO 18 Ca 0.05 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.26 1wf5 n PRO 18 Cb 0.39 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.75 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 -0.87 2.31 0.93 0.54 3.76 -1.13 -4.62 115.29 116.21 1wf5 s HIS 19 Ca 0.00 -0.33 -0.11 0.00 -0.15 0.00 0.00 55.06 54.46 1wf5 s HIS 19 Cb 0.00 -1.03 0.15 0.00 1.11 0.00 0.00 32.58 32.80 1wf5 s HIS 19 CO 0.00 0.67 1.09 0.00 -0.85 0.00 0.00 174.74 175.65 1wf5 s ALA 20 N -2.32 1.32 0.30 -1.40 0.00 -1.26 -4.21 121.76 114.19 1wf5 s ALA 20 Ca 0.28 0.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.96 1wf5 s ALA 20 Cb -0.06 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 1wf5 s ALA 20 CO 0.14 -2.55 1.08 -1.25 0.00 0.00 0.00 175.76 173.17 1wf5 s PRO 21 N -4.85 4.58 0.42 0.00 0.04 -1.26 -4.60 135.00 129.34 1wf5 s PRO 21 Ca 0.64 1.73 0.08 0.00 0.04 0.00 0.00 61.00 63.49 1wf5 s PRO 21 Cb -0.19 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.26 1wf5 s PRO 21 CO 0.58 0.18 0.54 -1.21 0.04 0.00 0.00 177.00 177.13 1wf5 s GLU 22 N -1.59 2.76 -1.41 4.56 2.02 -1.22 -4.55 118.70 119.28 1wf5 s GLU 22 Ca 0.46 -1.31 -0.01 0.00 0.02 0.00 0.00 54.97 54.14 1wf5 s GLU 22 Cb -0.30 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.25 1wf5 s GLU 22 CO 0.38 -0.27 0.39 0.72 0.02 0.00 0.00 175.26 176.50 1wf5 n HIS 23 N -1.81 -1.61 -2.33 1.61 8.25 -1.26 0.17 115.22 118.24 1wf5 n HIS 23 Ca 0.07 0.72 -0.42 0.00 -0.26 0.00 0.00 57.72 57.83 1wf5 n HIS 23 Cb 0.60 -3.64 -0.03 0.00 1.12 0.00 0.00 29.99 28.04 1wf5 n HIS 23 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1wf5 s PRO 24 N -6.62 3.33 0.14 -0.41 0.04 -1.26 -3.84 135.00 126.38 1wf5 s PRO 24 Ca 0.02 0.66 0.08 0.00 0.04 0.00 0.00 61.00 61.80 1wf5 s PRO 24 Cb -0.01 -4.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.37 1wf5 s PRO 24 CO 0.90 -1.88 -0.11 0.14 0.04 0.00 0.00 177.00 176.09 1wf5 s VAL 25 N 6.14 3.22 -0.24 -0.36 -7.23 -0.17 -4.66 120.40 117.09 1wf5 s VAL 25 Ca 0.58 -1.48 -0.03 0.00 -1.81 0.00 0.00 61.98 59.24 1wf5 s VAL 25 Cb -0.12 -2.54 0.11 0.00 0.56 0.00 0.00 36.38 34.39 1wf5 s VAL 25 CO 0.27 0.01 0.25 0.00 -0.31 0.00 0.00 175.10 175.32 1wf5 s ALA 26 N -1.43 -0.33 0.07 1.32 0.00 -1.26 -2.08 121.76 118.05 1wf5 s ALA 26 Ca 0.22 -0.01 0.09 0.00 0.00 0.00 0.00 51.96 52.26 1wf5 s ALA 26 Cb -0.10 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 1wf5 s ALA 26 CO 0.14 -1.43 -0.24 0.95 0.00 0.00 0.00 175.76 175.18 1wf5 s THR 27 N 2.34 1.94 1.04 0.00 -4.23 0.10 -4.78 115.64 112.05 1wf5 s THR 27 Ca 0.08 -1.43 -0.18 0.00 -1.18 0.00 0.00 61.69 58.99 1wf5 s THR 27 Cb -0.15 -1.69 0.07 0.00 1.34 0.00 0.00 72.50 72.07 1wf5 s THR 27 CO -0.22 0.19 -0.16 0.18 -0.54 0.00 0.00 174.62 174.07 1wf5 n LEU 28 N 1.51 -2.10 -4.28 4.79 4.77 -1.26 0.20 117.00 120.62 1wf5 n LEU 28 Ca -0.18 -0.20 -0.45 0.00 -0.03 0.00 0.00 56.01 55.16 1wf5 n LEU 28 Cb 0.53 -0.79 -0.05 0.00 -2.33 0.00 0.00 43.42 40.78 1wf5 n LEU 28 CO 0.23 -3.00 0.24 -0.44 -1.33 0.00 0.00 177.39 173.09 1wf5 s SER 29 N -1.72 6.28 -0.71 -1.43 0.01 -0.38 -3.51 113.70 112.24 1wf5 s SER 29 Ca 0.44 -2.38 -0.06 0.00 1.31 0.00 0.00 55.95 55.25 1wf5 s SER 29 Cb -0.05 -2.14 -0.12 0.00 0.21 0.00 0.00 66.02 63.92 1wf5 s SER 29 CO 0.52 -0.63 2.61 0.35 0.41 0.00 0.00 173.24 176.50 1wf5 n THR 30 N 4.36 2.81 0.00 1.44 -2.24 -1.26 -2.67 114.28 116.71 1wf5 n THR 30 Ca 0.03 -1.59 0.00 0.00 -2.27 0.00 0.00 64.05 60.22 1wf5 n THR 30 Cb 0.43 -2.14 0.00 0.00 -2.10 0.00 0.00 70.33 66.52 1wf5 n THR 30 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1wf5 n VAL 31 N 3.40 0.00 -3.77 2.28 3.14 -1.26 -5.10 118.33 117.02 1wf5 n VAL 31 Ca 0.48 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.49 1wf5 n VAL 31 Cb 0.38 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 33.04 1wf5 n VAL 31 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1wf5 s GLU 32 N 0.00 3.12 0.46 1.45 2.02 -1.09 -5.08 118.70 119.58 1wf5 s GLU 32 Ca 0.00 -0.84 -0.24 0.00 0.02 0.00 0.00 54.97 53.91 1wf5 s GLU 32 Cb 0.00 -3.35 -0.07 0.00 0.10 0.00 0.00 34.13 30.80 1wf5 s GLU 32 CO 0.00 -0.42 1.30 1.03 0.02 0.00 0.00 175.26 177.19 1wf5 s ARG 33 N 1.50 3.67 -1.51 1.61 1.81 -1.26 -2.45 118.95 122.32 1wf5 s ARG 33 Ca 0.03 2.13 -0.05 0.00 -1.72 0.00 0.00 55.73 56.11 1wf5 s ARG 33 Cb -0.17 -2.54 0.02 0.00 -0.45 0.00 0.00 34.95 31.81 1wf5 s ARG 33 CO 0.02 -0.73 0.54 0.54 -0.68 0.00 0.00 175.30 174.99 1wf5 n ARG 34 N -0.35 -4.40 -4.22 3.54 1.74 -1.26 -4.75 116.66 106.96 1wf5 n ARG 34 Ca 0.06 0.83 -0.13 0.00 -0.77 0.00 0.00 57.85 57.85 1wf5 n ARG 34 Cb 0.45 -5.65 -0.10 0.00 -1.02 0.00 0.00 32.46 26.13 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 -3.11 1.27 0.01 7.54 0.00 -1.02 -1.94 121.76 124.50 1wf5 s ALA 35 Ca 0.30 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1wf5 s ALA 35 Cb -0.14 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 1wf5 s ALA 35 CO 0.37 -0.21 -0.01 0.42 0.00 0.00 0.00 175.76 176.32 1wf5 s ILE 36 N -3.53 0.04 -0.20 0.00 1.01 -0.64 -1.25 121.20 116.64 1wf5 s ILE 36 Ca 0.17 -0.28 -0.09 0.00 0.00 0.00 0.00 60.65 60.45 1wf5 s ILE 36 Cb 0.05 -0.09 -0.05 0.00 0.01 0.00 0.00 42.46 42.38 1wf5 s ILE 36 CO -0.00 -0.15 0.11 0.20 0.00 0.00 0.00 174.94 175.10 1wf5 s ASN 37 N -0.45 5.95 -0.03 3.58 0.01 0.52 -1.32 114.94 123.21 1wf5 s ASN 37 Ca -0.05 0.14 0.06 0.00 -0.71 0.00 0.00 52.86 52.30 1wf5 s ASN 37 Cb -0.03 -2.04 -0.01 0.00 0.41 0.00 0.00 41.25 39.58 1wf5 s ASN 37 CO -0.00 0.15 -0.21 -0.22 -1.51 0.00 0.00 177.10 175.31 1wf5 s LEU 38 N 0.51 2.01 -0.06 0.60 2.96 0.37 0.03 118.68 125.10 1wf5 s LEU 38 Ca 0.06 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1wf5 s LEU 38 Cb -0.12 -1.12 0.04 0.00 0.50 0.00 0.00 46.19 45.49 1wf5 s LEU 38 CO -0.00 0.22 0.12 0.42 -1.32 0.00 0.00 176.35 175.79 1wf5 s THR 39 N -0.24 -0.10 0.41 3.68 -4.23 -0.88 -0.54 115.64 113.74 1wf5 s THR 39 Ca 0.01 0.24 0.04 0.00 -1.18 0.00 0.00 61.69 60.80 1wf5 s THR 39 Cb -0.11 -0.21 -0.02 0.00 1.34 0.00 0.00 72.50 73.50 1wf5 s THR 39 CO 0.01 0.10 0.14 -1.66 -0.54 0.00 0.00 174.62 172.67 1wf5 s TRP 40 N 1.44 1.78 0.18 3.99 -2.14 0.30 -1.00 118.94 123.50 1wf5 s TRP 40 Ca -0.06 -1.31 0.04 0.00 2.66 0.00 0.00 56.10 57.43 1wf5 s TRP 40 Cb -0.12 -1.15 -0.03 0.00 -3.10 0.00 0.00 33.47 29.07 1wf5 s TRP 40 CO -0.05 -0.32 0.26 0.99 -2.66 0.00 0.00 176.95 175.17 1wf5 s THR 41 N -3.20 5.07 -0.42 0.66 2.01 0.46 -4.70 115.64 115.52 1wf5 s THR 41 Ca 0.24 -0.90 -0.29 0.00 0.31 0.00 0.00 61.69 61.05 1wf5 s THR 41 Cb 0.02 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.90 1wf5 s THR 41 CO 0.15 -0.17 1.26 -0.75 -0.69 0.00 0.00 174.62 174.41 1wf5 s LYS 42 N -3.43 3.72 1.04 4.92 2.36 -1.26 -3.38 119.74 123.71 1wf5 s LYS 42 Ca 0.34 0.84 -0.16 0.00 -2.55 0.00 0.00 55.97 54.43 1wf5 s LYS 42 Cb -0.10 -3.93 0.22 0.00 -1.05 0.00 0.00 37.83 32.97 1wf5 s LYS 42 CO 0.27 -1.38 1.20 -1.25 1.55 0.00 0.00 175.35 175.75 1wf5 s PRO 43 N 4.53 0.04 -0.23 4.03 0.04 -1.26 -4.94 135.00 137.20 1wf5 s PRO 43 Ca 0.54 -0.12 -0.12 0.00 0.04 0.00 0.00 61.00 61.33 1wf5 s PRO 43 Cb -0.11 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 1wf5 s PRO 43 CO 0.30 -2.86 0.22 0.12 0.04 0.00 0.00 177.00 174.81 1wf5 s PHE 44 N -3.42 3.33 0.15 0.56 2.19 -1.26 -4.95 117.98 114.58 1wf5 s PHE 44 Ca 0.71 0.33 -0.17 0.00 0.33 0.00 0.00 56.93 58.13 1wf5 s PHE 44 Cb -0.08 -2.33 -0.07 0.00 -1.31 0.00 0.00 43.02 39.22 1wf5 s PHE 44 CO 0.54 0.05 0.60 0.34 1.83 0.00 0.00 175.22 178.59 1wf5 s ASP 45 N 1.03 6.95 0.04 6.13 -1.08 -1.26 -2.84 116.67 125.63 1wf5 s ASP 45 Ca 0.11 1.22 -0.07 0.00 -0.52 0.00 0.00 52.55 53.28 1wf5 s ASP 45 Cb -0.14 -2.34 -0.02 0.00 -1.46 0.00 0.00 42.92 38.96 1wf5 s ASP 45 CO 0.05 0.12 0.97 0.61 0.52 0.00 0.00 175.17 177.44 1wf5 n GLY 46 N 1.00 -2.51 1.08 2.66 0.00 -1.17 -4.44 105.19 101.80 1wf5 n GLY 46 Ca -0.06 0.63 -0.03 0.00 0.00 0.00 0.00 46.02 46.57 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 -3.45 -0.52 -3.95 1.61 3.02 -1.25 -4.61 115.26 106.11 1wf5 n ASN 47 Ca 0.00 -1.09 -0.09 0.00 -0.03 0.00 0.00 54.58 53.38 1wf5 n ASN 47 Cb 0.06 0.19 -0.09 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 -0.48 0.24 -0.09 6.41 0.15 -1.26 -4.67 113.70 114.00 1wf5 s SER 48 Ca 0.01 -0.69 -0.30 0.00 0.70 0.00 0.00 55.95 55.67 1wf5 s SER 48 Cb 0.06 0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 64.59 1wf5 s SER 48 CO -0.02 -0.60 1.24 -2.16 1.20 0.00 0.00 173.24 172.91 1wf5 s PRO 49 N -3.31 4.30 0.43 5.44 0.04 -1.26 -4.74 135.00 135.90 1wf5 s PRO 49 Ca 0.01 1.69 -0.21 0.00 0.04 0.00 0.00 61.00 62.52 1wf5 s PRO 49 Cb 0.03 -3.64 -0.14 0.00 0.04 0.00 0.00 34.50 30.80 1wf5 s PRO 49 CO -0.08 -0.55 0.31 1.28 0.04 0.00 0.00 177.00 178.00 1wf5 n LEU 50 N 5.73 -1.42 -0.09 -3.56 4.77 -1.26 -4.55 117.00 116.61 1wf5 n LEU 50 Ca 0.12 0.84 -0.13 0.00 -0.03 0.00 0.00 56.01 56.82 1wf5 n LEU 50 Cb 0.46 -1.00 -0.04 0.00 -2.33 0.00 0.00 43.42 40.50 1wf5 n LEU 50 CO 0.56 -3.58 -0.81 -0.38 -1.33 0.00 0.00 177.39 171.85 1wf5 n ILE 51 N -1.02 1.48 -3.70 -0.08 5.41 0.56 -4.79 119.36 117.22 1wf5 n ILE 51 Ca 0.11 0.04 -0.07 0.00 1.00 0.00 0.00 62.75 63.84 1wf5 n ILE 51 Cb 0.41 -2.22 0.02 0.00 -0.71 0.00 0.00 39.64 37.14 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 0.90 -4.17 0.38 1.85 -0.45 -4.14 116.66 106.66 1wf5 n ARG 52 Ca -0.21 -1.79 -0.18 0.00 -1.00 0.00 0.00 57.85 54.66 1wf5 n ARG 52 Cb 0.57 2.26 -0.16 0.00 -1.05 0.00 0.00 32.46 34.09 1wf5 n ARG 52 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1wf5 s TYR 53 N -3.11 0.62 -0.48 2.89 1.51 -1.21 -0.77 117.35 116.81 1wf5 s TYR 53 Ca 0.14 -0.14 -0.16 0.00 -1.01 0.00 0.00 57.07 55.90 1wf5 s TYR 53 Cb -0.04 -0.51 0.07 0.00 -0.11 0.00 0.00 41.96 41.37 1wf5 s TYR 53 CO 0.09 -0.10 0.44 0.42 -1.11 0.00 0.00 175.55 175.29 1wf5 s ILE 54 N 0.47 5.15 -0.22 2.71 1.01 -1.23 -3.72 121.20 125.37 1wf5 s ILE 54 Ca -0.06 -0.89 -0.19 0.00 0.00 0.00 0.00 60.65 59.52 1wf5 s ILE 54 Cb -0.09 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 1wf5 s ILE 54 CO -0.00 -0.61 0.55 -0.22 0.00 0.00 0.00 174.94 174.65 1wf5 s LEU 55 N 1.89 4.11 -0.15 2.97 2.96 0.12 -2.57 118.68 128.01 1wf5 s LEU 55 Ca 0.07 0.65 0.01 0.00 -0.22 0.00 0.00 54.13 54.64 1wf5 s LEU 55 Cb -0.23 -2.74 -0.00 0.00 0.50 0.00 0.00 46.19 43.73 1wf5 s LEU 55 CO 0.08 -0.25 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.09 1wf5 s GLU 56 N 1.98 3.19 -0.08 1.98 2.02 -0.56 -1.14 118.70 126.08 1wf5 s GLU 56 Ca 0.24 -0.77 -0.05 0.00 0.02 0.00 0.00 54.97 54.41 1wf5 s GLU 56 Cb -0.16 -2.58 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 1wf5 s GLU 56 CO 0.09 0.04 0.13 1.41 0.02 0.00 0.00 175.26 176.95 1wf5 s MET 57 N 0.74 3.36 -0.34 1.61 -2.45 -1.04 -2.34 119.30 118.83 1wf5 s MET 57 Ca -0.07 -0.23 0.02 0.00 -1.25 0.00 0.00 55.69 54.16 1wf5 s MET 57 Cb -0.16 -3.10 0.10 0.00 1.25 0.00 0.00 34.83 32.93 1wf5 s MET 57 CO 0.01 0.74 0.08 0.45 1.05 0.00 0.00 175.02 177.35 1wf5 s SER 58 N -1.26 4.45 0.00 1.11 0.15 0.32 -1.87 113.70 116.60 1wf5 s SER 58 Ca 0.18 -2.04 0.00 0.00 0.70 0.00 0.00 55.95 54.79 1wf5 s SER 58 Cb -0.12 -1.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.85 1wf5 s SER 58 CO 0.08 -0.38 0.00 1.21 1.20 0.00 0.00 173.24 175.35 1wf5 n GLU 59 N 4.37 1.73 -2.02 5.44 2.13 -1.26 -1.27 120.64 129.76 1wf5 n GLU 59 Ca 0.02 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.55 1wf5 n GLU 59 Cb 0.41 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.08 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 -1.87 5.11 -1.25 4.31 0.01 -1.21 -2.54 114.94 117.49 1wf5 s ASN 60 Ca 0.00 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.75 1wf5 s ASN 60 Cb 0.00 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.11 1wf5 s ASN 60 CO 0.00 -2.71 0.00 -3.20 -1.51 0.00 0.00 177.10 169.68 1wf5 n ASN 61 N 13.91 -4.66 -4.82 -1.22 5.15 -1.26 -4.97 115.26 117.38 1wf5 n ASN 61 Ca 0.36 0.29 -0.34 0.00 -0.60 0.00 0.00 54.58 54.29 1wf5 n ASN 61 Cb 0.48 -3.20 -0.07 0.00 -0.53 0.00 0.00 39.78 36.47 1wf5 n ASN 61 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wf5 s ALA 62 N -2.36 3.18 0.37 5.20 0.00 -1.05 -5.03 121.76 122.06 1wf5 s ALA 62 Ca 0.00 0.31 -0.25 0.00 0.00 0.00 0.00 51.96 52.02 1wf5 s ALA 62 Cb 0.00 -3.03 -0.09 0.00 0.00 0.00 0.00 23.12 20.00 1wf5 s ALA 62 CO 0.00 0.21 1.06 -1.25 0.00 0.00 0.00 175.76 175.78 1wf5 s PRO 63 N -2.80 4.28 -0.41 0.00 0.04 -1.26 -4.10 135.00 130.74 1wf5 s PRO 63 Ca 0.56 1.58 -0.36 0.00 0.04 0.00 0.00 61.00 62.82 1wf5 s PRO 63 Cb -0.12 -2.70 -0.13 0.00 0.04 0.00 0.00 34.50 31.60 1wf5 s PRO 63 CO 0.17 -0.06 2.23 0.91 0.04 0.00 0.00 177.00 180.29 1wf5 n TRP 64 N 0.23 1.47 -3.78 0.56 7.02 -1.26 -4.69 117.44 116.99 1wf5 n TRP 64 Ca 0.04 0.34 -0.36 0.00 -1.02 0.00 0.00 57.50 56.49 1wf5 n TRP 64 Cb 0.48 -2.50 -0.13 0.00 -2.42 0.00 0.00 31.31 26.75 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 7.52 4.09 -0.58 -0.99 -1.32 -0.78 -4.90 115.64 118.69 1wf5 s THR 65 Ca 1.12 -0.32 -0.27 0.00 -1.21 0.00 0.00 61.69 61.00 1wf5 s THR 65 Cb -0.93 -2.94 -0.10 0.00 -1.51 0.00 0.00 72.50 67.02 1wf5 s THR 65 CO 0.50 0.30 2.46 0.52 -2.21 0.00 0.00 174.62 176.19 1wf5 n VAL 66 N 4.89 -0.05 -0.05 5.08 0.31 -1.26 -2.51 118.33 124.75 1wf5 n VAL 66 Ca -0.16 -0.63 -0.02 0.00 -0.01 0.00 0.00 64.34 63.52 1wf5 n VAL 66 Cb 0.51 -2.33 -0.01 0.00 -0.91 0.00 0.00 33.84 31.10 1wf5 n VAL 66 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1wf5 h LEU 67 N 17.85 0.00 -8.21 7.52 3.38 -1.50 -3.45 115.31 130.91 1wf5 h LEU 67 Ca -0.21 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.07 1wf5 h LEU 67 Cb 1.28 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.74 1wf5 h LEU 67 CO 1.19 0.51 -0.61 -0.76 0.09 0.00 0.00 178.44 178.86 1wf5 s LEU 68 N -7.56 4.25 -0.11 1.67 1.43 -0.95 -4.93 118.68 112.47 1wf5 s LEU 68 Ca -0.07 -1.11 0.03 0.00 -1.03 0.00 0.00 54.13 51.95 1wf5 s LEU 68 Cb 0.01 -1.86 -0.24 0.00 0.03 0.00 0.00 46.19 44.13 1wf5 s LEU 68 CO 0.10 -0.31 0.38 0.00 0.23 0.00 0.00 176.35 176.75 1wf5 n ALA 69 N 4.81 1.20 -3.48 4.21 0.00 -1.26 -0.70 120.51 125.28 1wf5 n ALA 69 Ca -0.13 -0.76 -0.42 0.00 0.00 0.00 0.00 53.44 52.14 1wf5 n ALA 69 Cb 0.45 -0.64 -0.08 0.00 0.00 0.00 0.00 19.45 19.18 1wf5 n ALA 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wf5 s SER 70 N -6.54 5.77 0.09 0.00 0.15 -1.26 -4.49 113.70 107.41 1wf5 s SER 70 Ca -0.17 -1.84 0.07 0.00 0.70 0.00 0.00 55.95 54.71 1wf5 s SER 70 Cb 0.07 -2.04 -0.03 0.00 -1.71 0.00 0.00 66.02 62.31 1wf5 s SER 70 CO 0.78 -0.70 -0.19 -0.69 1.20 0.00 0.00 173.24 173.63 1wf5 s VAL 71 N 1.40 1.56 0.23 4.45 1.01 -1.24 -4.97 120.40 122.85 1wf5 s VAL 71 Ca 0.05 -1.45 -0.30 0.00 0.00 0.00 0.00 61.98 60.28 1wf5 s VAL 71 Cb -0.26 -1.43 -0.09 0.00 0.00 0.00 0.00 36.38 34.60 1wf5 s VAL 71 CO 0.00 -0.07 1.28 -1.81 0.00 0.00 0.00 175.10 174.50 1wf5 s ASP 72 N -1.79 6.93 0.42 3.32 1.11 -1.26 -3.33 116.67 122.07 1wf5 s ASP 72 Ca 0.05 2.43 0.23 0.00 0.18 0.00 0.00 52.55 55.44 1wf5 s ASP 72 Cb -0.10 -2.62 0.68 0.00 1.07 0.00 0.00 42.92 41.95 1wf5 s ASP 72 CO 0.04 -0.48 1.72 1.55 1.18 0.00 0.00 175.17 179.18 1wf5 h PRO 73 N 4.81 0.00 -0.40 8.23 0.13 -1.87 -2.57 132.00 140.33 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 0.74 0.20 0.00 1.63 -0.23 0.00 0.00 178.00 180.34 1wf5 n LYS 74 N -3.24 1.95 -3.97 0.86 4.01 -1.26 -4.82 118.16 111.68 1wf5 n LYS 74 Ca 0.01 -1.47 -0.35 0.00 -0.51 0.00 0.00 58.31 56.00 1wf5 n LYS 74 Cb 0.50 -1.33 -0.10 0.00 -0.51 0.00 0.00 35.03 33.59 1wf5 n LYS 74 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wf5 s ALA 75 N -1.47 3.44 -0.73 7.82 0.00 -0.97 -4.95 121.76 124.89 1wf5 s ALA 75 Ca 0.28 -0.74 0.09 0.00 0.00 0.00 0.00 51.96 51.59 1wf5 s ALA 75 Cb 0.15 -1.95 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 1wf5 s ALA 75 CO 0.20 0.17 0.55 0.25 0.00 0.00 0.00 175.76 176.93 1wf5 n THR 76 N 3.54 0.00 -4.04 0.00 -2.24 -1.26 -4.91 114.28 105.37 1wf5 n THR 76 Ca -0.16 -0.40 -0.12 0.00 -2.27 0.00 0.00 64.05 61.10 1wf5 n THR 76 Cb 0.52 1.09 -0.12 0.00 -2.10 0.00 0.00 70.33 69.72 1wf5 n THR 76 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wf5 s SER 77 N -1.30 0.60 0.01 3.42 1.04 -1.26 0.11 113.70 116.32 1wf5 s SER 77 Ca 0.07 -0.44 -0.05 0.00 0.48 0.00 0.00 55.95 56.00 1wf5 s SER 77 Cb 0.07 0.04 -0.00 0.00 0.10 0.00 0.00 66.02 66.22 1wf5 s SER 77 CO 0.23 -0.18 0.10 0.54 0.98 0.00 0.00 173.24 174.90 1wf5 s VAL 78 N -1.16 0.09 -0.25 5.02 0.11 0.30 -4.97 120.40 119.54 1wf5 s VAL 78 Ca -0.09 -0.76 0.02 0.00 -2.93 0.00 0.00 61.98 58.21 1wf5 s VAL 78 Cb -0.08 -0.41 0.05 0.00 -1.53 0.00 0.00 36.38 34.41 1wf5 s VAL 78 CO -0.00 -0.42 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.36 1wf5 s THR 79 N -1.46 2.33 0.39 5.04 2.01 -1.26 -0.48 115.64 122.21 1wf5 s THR 79 Ca -0.15 -1.47 -0.20 0.00 0.31 0.00 0.00 61.69 60.19 1wf5 s THR 79 Cb -0.08 -2.30 -0.10 0.00 0.01 0.00 0.00 72.50 70.02 1wf5 s THR 79 CO 0.01 0.05 0.88 -0.69 -0.69 0.00 0.00 174.62 174.18 1wf5 s VAL 80 N 1.16 4.47 0.01 3.82 1.01 -0.43 -4.87 120.40 125.57 1wf5 s VAL 80 Ca -0.06 1.35 -0.07 0.00 0.00 0.00 0.00 61.98 63.20 1wf5 s VAL 80 Cb -0.19 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 1wf5 s VAL 80 CO -0.05 -0.24 0.12 -0.54 0.00 0.00 0.00 175.10 174.39 1wf5 s LYS 81 N -3.01 0.49 0.00 2.72 1.02 -1.26 -1.62 119.74 118.08 1wf5 s LYS 81 Ca 0.58 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.10 1wf5 s LYS 81 Cb -0.10 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1wf5 s LYS 81 CO 0.15 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 1wf5 n GLY 82 N 1.33 1.19 3.87 -3.33 0.00 -0.82 -5.00 105.19 102.42 1wf5 n GLY 82 Ca -0.22 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 3.47 -0.09 0.99 1.02 -0.93 -5.05 118.68 118.08 1wf5 s LEU 83 Ca 0.00 1.37 -0.16 0.00 0.02 0.00 0.00 54.13 55.36 1wf5 s LEU 83 Cb 0.00 -4.36 -0.05 0.00 0.02 0.00 0.00 46.19 41.81 1wf5 s LEU 83 CO 0.00 -0.70 0.42 -0.69 0.02 0.00 0.00 176.35 175.40 1wf5 s VAL 84 N -2.87 5.17 0.31 -1.59 1.01 -1.26 -4.80 120.40 116.37 1wf5 s VAL 84 Ca 0.55 0.83 -0.28 0.00 0.00 0.00 0.00 61.98 63.08 1wf5 s VAL 84 Cb -0.10 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 1wf5 s VAL 84 CO 0.43 0.41 1.07 -2.16 0.00 0.00 0.00 175.10 174.86 1wf5 s PRO 85 N 0.11 4.51 -0.33 2.72 0.04 -1.26 -3.71 135.00 137.08 1wf5 s PRO 85 Ca 0.23 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 62.96 1wf5 s PRO 85 Cb -0.15 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1wf5 s PRO 85 CO 0.10 0.13 0.28 0.00 0.04 0.00 0.00 177.00 177.54 1wf5 n ALA 86 N 0.83 -0.47 -3.51 8.56 0.00 -0.43 -4.64 120.51 120.85 1wf5 n ALA 86 Ca 0.01 0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 1wf5 n ALA 86 Cb 0.46 -1.29 -0.07 0.00 0.00 0.00 0.00 19.45 18.55 1wf5 n ALA 86 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wf5 s ARG 87 N -4.71 0.90 0.45 0.00 0.52 -1.23 -4.95 118.95 109.93 1wf5 s ARG 87 Ca 0.05 0.47 -0.17 0.00 -0.52 0.00 0.00 55.73 55.56 1wf5 s ARG 87 Cb -0.02 0.43 -0.09 0.00 0.52 0.00 0.00 34.95 35.79 1wf5 s ARG 87 CO 0.19 -0.22 0.91 -1.12 0.02 0.00 0.00 175.30 175.08 1wf5 s SER 88 N -0.60 6.73 -0.08 0.23 0.01 -1.26 -1.37 113.70 117.35 1wf5 s SER 88 Ca -0.07 1.51 -0.06 0.00 1.31 0.00 0.00 55.95 58.64 1wf5 s SER 88 Cb -0.02 -2.47 0.03 0.00 0.21 0.00 0.00 66.02 63.76 1wf5 s SER 88 CO 0.06 -0.44 0.20 -0.31 0.41 0.00 0.00 173.24 173.16 1wf5 s TYR 89 N -2.36 -0.24 -0.10 2.43 2.02 0.21 -3.36 117.35 115.96 1wf5 s TYR 89 Ca 0.58 0.58 0.03 0.00 -0.37 0.00 0.00 57.07 57.89 1wf5 s TYR 89 Cb -0.10 0.05 0.01 0.00 -0.40 0.00 0.00 41.96 41.52 1wf5 s TYR 89 CO 0.24 -0.14 -0.18 -0.65 -1.57 0.00 0.00 175.55 173.24 1wf5 s GLN 90 N 0.52 2.47 0.18 -0.62 -0.21 -0.40 -2.80 119.66 118.80 1wf5 s GLN 90 Ca -0.03 -0.67 0.07 0.00 0.02 0.00 0.00 55.36 54.75 1wf5 s GLN 90 Cb -0.05 -1.97 -0.04 0.00 1.00 0.00 0.00 33.01 31.95 1wf5 s GLN 90 CO -0.03 0.04 0.01 -0.06 -2.12 0.00 0.00 175.29 173.14 1wf5 s PHE 91 N 0.68 2.86 -0.30 0.91 0.08 -1.26 0.12 117.98 121.06 1wf5 s PHE 91 Ca -0.13 -0.14 -0.19 0.00 0.12 0.00 0.00 56.93 56.60 1wf5 s PHE 91 Cb -0.16 -1.37 0.18 0.00 -0.57 0.00 0.00 43.02 41.10 1wf5 s PHE 91 CO 0.03 0.53 1.27 -0.98 -0.10 0.00 0.00 175.22 175.97 1wf5 s ARG 92 N -3.03 0.02 0.40 0.44 1.70 -0.99 -2.95 118.95 114.55 1wf5 s ARG 92 Ca 0.28 0.05 0.08 0.00 -0.47 0.00 0.00 55.73 55.66 1wf5 s ARG 92 Cb -0.09 0.03 -0.04 0.00 -0.57 0.00 0.00 34.95 34.28 1wf5 s ARG 92 CO 0.19 -0.02 0.25 -0.48 -1.08 0.00 0.00 175.30 174.16 1wf5 s LEU 93 N 2.61 3.25 0.38 -1.89 2.34 -1.26 -1.50 118.68 122.61 1wf5 s LEU 93 Ca -0.06 -0.91 0.04 0.00 0.06 0.00 0.00 54.13 53.26 1wf5 s LEU 93 Cb -0.05 -1.72 -0.04 0.00 -0.56 0.00 0.00 46.19 43.83 1wf5 s LEU 93 CO -0.10 -0.55 0.10 0.00 -1.06 0.00 0.00 176.35 174.73 1wf5 s ALA 95 N -3.24 3.38 -0.13 0.00 0.00 -1.22 -3.50 121.76 117.06 1wf5 s ALA 95 Ca 0.27 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 51.17 1wf5 s ALA 95 Cb 0.05 -2.27 -0.01 0.00 0.00 0.00 0.00 23.12 20.88 1wf5 s ALA 95 CO 0.14 -0.46 -0.17 0.08 0.00 0.00 0.00 175.76 175.36 1wf5 s VAL 96 N 1.57 2.68 0.20 0.00 1.01 0.05 -1.52 120.40 124.39 1wf5 s VAL 96 Ca 0.07 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1wf5 s VAL 96 Cb -0.15 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1wf5 s VAL 96 CO 0.07 0.53 0.16 0.54 0.00 0.00 0.00 175.10 176.41 1wf5 s ASN 97 N 0.43 0.14 0.42 3.32 4.22 -1.16 -0.33 114.94 121.98 1wf5 s ASN 97 Ca -0.12 -1.30 0.28 0.00 -2.14 0.00 0.00 52.86 49.57 1wf5 s ASN 97 Cb -0.16 0.39 1.43 0.00 1.28 0.00 0.00 41.25 44.19 1wf5 s ASN 97 CO 0.06 -0.86 1.59 -0.78 -2.04 0.00 0.00 177.10 175.07 1wf5 h ASP 98 N 2.61 0.25 0.41 3.54 3.58 -1.93 1.05 116.42 125.92 1wf5 h ASP 98 Ca -0.35 0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.27 1wf5 h ASP 98 Cb 1.24 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.47 1wf5 h ASP 98 CO 0.52 -0.29 -0.28 0.58 -2.88 0.00 0.00 179.24 176.88 1wf5 h VAL 99 N 0.03 0.41 0.00 2.25 2.07 -1.88 -3.49 116.25 115.65 1wf5 h VAL 99 Ca 0.86 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.38 1wf5 h VAL 99 Cb 2.58 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1wf5 h VAL 99 CO -0.55 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.65 1wf5 n GLY 100 N -1.41 -0.07 3.77 2.17 0.00 0.36 -4.93 105.19 105.08 1wf5 n GLY 100 Ca -0.10 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.65 4.23 0.00 1.61 2.20 -1.26 -2.98 119.74 121.89 1wf5 s LYS 101 Ca 0.00 2.03 0.00 0.00 -0.36 0.00 0.00 55.97 57.64 1wf5 s LYS 101 Cb 0.00 -2.90 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 1wf5 s LYS 101 CO 0.00 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 1wf5 n GLY 102 N 0.78 0.19 3.16 5.54 0.00 -0.58 -4.87 105.19 109.42 1wf5 n GLY 102 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 1.58 0.83 -0.01 1.61 0.00 -1.26 -4.95 119.66 117.46 1wf5 s GLN 103 Ca 0.00 -1.35 -0.04 0.00 -0.00 0.00 0.00 55.36 53.96 1wf5 s GLN 103 Cb 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 33.01 32.92 1wf5 s GLN 103 CO 0.00 -0.09 0.21 -0.06 0.00 0.00 0.00 175.29 175.35 1wf5 s PHE 104 N -3.77 3.56 0.43 9.60 0.40 -1.26 -3.38 117.98 123.56 1wf5 s PHE 104 Ca 0.14 0.45 -0.24 0.00 -0.60 0.00 0.00 56.93 56.68 1wf5 s PHE 104 Cb 0.06 -1.90 -0.08 0.00 0.51 0.00 0.00 43.02 41.62 1wf5 s PHE 104 CO -0.04 0.64 1.14 -1.54 0.70 0.00 0.00 175.22 176.12 1wf5 s SER 105 N -1.81 6.40 1.00 1.36 1.04 0.56 -4.89 113.70 117.37 1wf5 s SER 105 Ca 0.27 2.25 -0.19 0.00 0.48 0.00 0.00 55.95 58.76 1wf5 s SER 105 Cb -0.13 -2.60 -0.11 0.00 0.10 0.00 0.00 66.02 63.28 1wf5 s SER 105 CO 0.17 -0.75 -0.76 0.29 0.98 0.00 0.00 173.24 173.16 1wf5 n LYS 106 N -0.25 -0.18 -2.56 4.02 4.01 -1.26 -4.51 118.16 117.43 1wf5 n LYS 106 Ca 0.06 -0.04 -0.43 0.00 -0.51 0.00 0.00 58.31 57.39 1wf5 n LYS 106 Cb 0.48 -1.19 -0.02 0.00 -0.51 0.00 0.00 35.03 33.79 1wf5 n LYS 106 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1wf5 s ASP 107 N -1.22 6.57 0.73 4.39 1.01 -1.26 -4.66 116.67 122.23 1wf5 s ASP 107 Ca 0.43 0.48 -0.17 0.00 0.71 0.00 0.00 52.55 54.00 1wf5 s ASP 107 Cb -0.10 -2.55 -0.10 0.00 1.01 0.00 0.00 42.92 41.18 1wf5 s ASP 107 CO 0.75 -1.30 -0.05 0.35 0.21 0.00 0.00 175.17 175.13 1wf5 n THR 108 N 6.88 0.63 -1.54 -1.27 -2.24 -1.15 -4.69 114.28 110.90 1wf5 n THR 108 Ca 0.12 -0.45 -0.56 0.00 -2.27 0.00 0.00 64.05 60.90 1wf5 n THR 108 Cb 0.49 -0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 68.36 1wf5 n THR 108 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wf5 n GLU 109 N 0.83 0.53 -1.24 -0.78 1.02 -1.26 -4.53 120.64 115.20 1wf5 n GLU 109 Ca 0.06 0.19 -0.45 0.00 -0.02 0.00 0.00 57.16 56.94 1wf5 n GLU 109 Cb 0.51 -1.76 -0.12 0.00 -0.02 0.00 0.00 31.44 30.05 1wf5 n GLU 109 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1wf5 n ARG 110 N 1.97 0.00 -3.49 3.49 0.63 -1.26 -4.84 116.66 113.15 1wf5 n ARG 110 Ca 0.19 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.74 1wf5 n ARG 110 Cb 0.13 -1.35 -0.10 0.00 0.45 0.00 0.00 32.46 31.59 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 6.80 5.25 -0.03 5.15 1.01 -1.12 -4.96 120.40 132.50 1wf5 s VAL 111 Ca 1.16 0.40 0.01 0.00 0.00 0.00 0.00 61.98 63.55 1wf5 s VAL 111 Cb -1.24 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 31.49 1wf5 s VAL 111 CO 0.52 0.22 -0.03 -0.55 0.00 0.00 0.00 175.10 175.26 1wf5 s SER 112 N 1.54 4.93 -0.02 3.32 0.15 -1.26 0.68 113.70 123.04 1wf5 s SER 112 Ca 0.12 -0.02 -0.13 0.00 0.70 0.00 0.00 55.95 56.62 1wf5 s SER 112 Cb -0.15 -1.26 -0.05 0.00 -1.71 0.00 0.00 66.02 62.84 1wf5 s SER 112 CO 0.09 0.31 0.36 -0.22 1.20 0.00 0.00 173.24 174.98 1wf5 s LEU 113 N -1.26 4.46 -0.24 3.45 2.96 -0.48 -4.96 118.68 122.61 1wf5 s LEU 113 Ca 0.16 0.86 -0.29 0.00 -0.22 0.00 0.00 54.13 54.65 1wf5 s LEU 113 Cb -0.11 -2.50 -0.01 0.00 0.50 0.00 0.00 46.19 44.07 1wf5 s LEU 113 CO 0.06 0.34 1.32 -2.16 -1.32 0.00 0.00 176.35 174.59 1wf5 s PRO 114 N -1.10 4.03 0.60 0.98 0.04 -1.26 -1.32 135.00 136.98 1wf5 s PRO 114 Ca 0.22 1.46 -0.15 0.00 0.04 0.00 0.00 61.00 62.56 1wf5 s PRO 114 Cb -0.16 -3.85 -0.13 0.00 0.04 0.00 0.00 34.50 30.40 1wf5 s PRO 114 CO 0.12 -0.97 -0.33 -0.85 0.04 0.00 0.00 177.00 175.01 1wf5 n GLU 115 N 7.07 0.00 -3.88 4.56 0.28 -1.26 -4.20 120.64 123.20 1wf5 n GLU 115 Ca 0.15 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.78 1wf5 n GLU 115 Cb 0.46 -0.88 -0.07 0.00 1.43 0.00 0.00 31.44 32.38 1wf5 n GLU 115 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1wf5 s SER 116 N -0.88 6.29 0.59 -1.84 0.01 -1.26 -4.80 113.70 111.80 1wf5 s SER 116 Ca 0.45 0.41 0.00 0.00 1.31 0.00 0.00 55.95 58.11 1wf5 s SER 116 Cb -0.34 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1wf5 s SER 116 CO 0.63 0.37 0.00 0.61 0.41 0.00 0.00 173.24 175.26 1wf5 n GLY 117 N 2.27 -3.26 2.76 3.44 0.00 -1.26 -4.19 105.19 104.94 1wf5 n GLY 117 Ca -0.19 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 1wf5 n GLY 117 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wf5 n PRO 118 N -4.00 2.38 -3.67 1.61 -0.04 -1.26 -4.78 135.00 125.24 1wf5 n PRO 118 Ca -0.08 -2.04 -0.21 0.00 -0.04 0.00 0.00 63.50 61.13 1wf5 n PRO 118 Cb 0.62 -2.91 -0.18 0.00 -0.04 0.00 0.00 33.50 30.99 1wf5 n PRO 118 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wf5 s SER 119 N 3.68 1.37 -0.88 3.54 0.15 -1.26 -5.09 113.70 115.21 1wf5 s SER 119 Ca 0.52 -0.04 -0.16 0.00 0.70 0.00 0.00 55.95 56.97 1wf5 s SER 119 Cb 0.14 -0.19 0.18 0.00 -1.71 0.00 0.00 66.02 64.45 1wf5 s SER 119 CO -0.00 -0.26 0.92 -0.44 1.20 0.00 0.00 173.24 174.66 1wf5 s SER 120 N 2.14 6.72 0.00 5.45 0.01 -1.26 -4.83 113.70 121.93 1wf5 s SER 120 Ca 0.05 -2.45 0.00 0.00 1.31 0.00 0.00 55.95 54.85 1wf5 s SER 120 Cb -0.13 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1wf5 s SER 120 CO -0.04 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.45