#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 0.00 -4.34 1.61 2.88 -1.26 -4.91 113.62 107.61 1wf5 n SER 2 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 1wf5 n SER 2 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1wf5 n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wf5 n SER 3 N 2.69 -2.59 0.00 -3.46 3.41 -1.26 -4.87 113.62 107.55 1wf5 n SER 3 Ca 0.00 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 1wf5 n SER 3 Cb 0.00 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 1wf5 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wf5 n GLY 4 N 2.21 2.33 3.24 5.00 0.00 -1.26 -5.15 105.19 111.56 1wf5 n GLY 4 Ca 0.09 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 1wf5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf5 s SER 5 N 0.00 0.16 0.07 1.61 0.01 -1.26 -5.16 113.70 109.12 1wf5 s SER 5 Ca 0.00 -1.26 0.01 0.00 1.31 0.00 0.00 55.95 56.01 1wf5 s SER 5 Cb 0.00 0.38 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 1wf5 s SER 5 CO 0.00 -0.85 0.18 -0.55 0.41 0.00 0.00 173.24 172.43 1wf5 s SER 6 N -3.11 6.12 0.00 2.44 0.15 -1.26 -5.10 113.70 112.95 1wf5 s SER 6 Ca 0.32 0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1wf5 s SER 6 Cb 0.06 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 1wf5 s SER 6 CO 0.08 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.30 1wf5 n GLY 7 N 0.28 5.07 3.64 9.45 0.00 -1.26 -5.18 105.19 117.19 1wf5 n GLY 7 Ca -0.06 -1.09 -0.06 0.00 0.00 0.00 0.00 46.02 44.81 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 1.82 0.49 -0.01 1.61 0.52 -1.26 -5.17 118.95 116.96 1wf5 s ARG 8 Ca 0.00 0.74 0.07 0.00 -0.52 0.00 0.00 55.73 56.02 1wf5 s ARG 8 Cb 0.00 0.15 -0.02 0.00 0.52 0.00 0.00 34.95 35.60 1wf5 s ARG 8 CO 0.00 -0.08 -0.22 0.45 0.02 0.00 0.00 175.30 175.46 1wf5 s SER 9 N 0.98 3.39 0.16 0.23 0.15 -1.26 -5.13 113.70 112.23 1wf5 s SER 9 Ca -0.05 -0.42 -0.10 0.00 0.70 0.00 0.00 55.95 56.08 1wf5 s SER 9 Cb -0.04 -0.48 -0.00 0.00 -1.71 0.00 0.00 66.02 63.78 1wf5 s SER 9 CO -0.12 0.31 0.31 0.00 1.20 0.00 0.00 173.24 174.93 1wf5 s ALA 10 N -0.71 -0.14 0.33 5.45 0.00 -1.26 -5.11 121.76 120.32 1wf5 s ALA 10 Ca 0.11 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1wf5 s ALA 10 Cb -0.10 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.85 1wf5 s ALA 10 CO 0.01 -0.66 0.00 1.58 0.00 0.00 0.00 175.76 176.69 1wf5 n HIS 11 N -0.22 -3.54 -0.99 0.00 -0.00 -1.26 -5.00 115.22 104.21 1wf5 n HIS 11 Ca -0.08 1.86 0.03 0.00 0.46 0.00 0.00 57.72 59.98 1wf5 n HIS 11 Cb 0.63 -3.08 -0.02 0.00 -0.12 0.00 0.00 29.99 27.40 1wf5 n HIS 11 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1wf5 n LEU 12 N -0.15 -0.97 -4.85 0.27 4.32 -1.26 -4.92 117.00 109.44 1wf5 n LEU 12 Ca 0.00 1.76 -0.31 0.00 -0.02 0.00 0.00 56.01 57.44 1wf5 n LEU 12 Cb 0.00 -1.74 -0.03 0.00 -1.62 0.00 0.00 43.42 40.03 1wf5 n LEU 12 CO 0.00 -0.76 0.62 -0.13 -1.22 0.00 0.00 177.39 175.90 1wf5 s ARG 13 N -4.63 3.86 -0.19 3.23 0.52 -1.26 -5.05 118.95 115.43 1wf5 s ARG 13 Ca 0.00 0.80 -0.10 0.00 -0.52 0.00 0.00 55.73 55.91 1wf5 s ARG 13 Cb 0.00 -2.20 -0.05 0.00 0.52 0.00 0.00 34.95 33.22 1wf5 s ARG 13 CO 0.00 -0.24 0.13 0.54 0.02 0.00 0.00 175.30 175.76 1wf5 s VAL 14 N -2.61 5.42 -0.97 3.52 0.11 -1.26 -5.03 120.40 119.57 1wf5 s VAL 14 Ca 0.56 0.19 -0.19 0.00 -2.93 0.00 0.00 61.98 59.61 1wf5 s VAL 14 Cb -0.10 -3.46 0.12 0.00 -1.53 0.00 0.00 36.38 31.41 1wf5 s VAL 14 CO 0.34 0.46 1.22 -0.13 -3.33 0.00 0.00 175.10 173.66 1wf5 s ARG 15 N 0.17 3.64 0.38 1.54 0.52 -1.26 -4.46 118.95 119.48 1wf5 s ARG 15 Ca 0.09 -1.69 -0.02 0.00 -0.52 0.00 0.00 55.73 53.59 1wf5 s ARG 15 Cb -0.11 -5.03 -0.04 0.00 0.52 0.00 0.00 34.95 30.30 1wf5 s ARG 15 CO -0.01 -1.87 0.62 -1.14 0.02 0.00 0.00 175.30 172.92 1wf5 s GLN 16 N 3.10 3.52 0.28 3.54 2.00 -1.26 -4.94 119.66 125.90 1wf5 s GLN 16 Ca 0.36 -0.12 -0.23 0.00 -2.00 0.00 0.00 55.36 53.37 1wf5 s GLN 16 Cb -0.04 -2.57 -0.09 0.00 0.80 0.00 0.00 33.01 31.11 1wf5 s GLN 16 CO -0.09 0.05 0.84 -0.51 -0.50 0.00 0.00 175.29 175.08 1wf5 s LEU 17 N -4.35 4.32 0.00 3.68 1.43 -1.26 -4.08 118.68 118.42 1wf5 s LEU 17 Ca 0.43 1.64 -0.17 0.00 -1.03 0.00 0.00 54.13 55.00 1wf5 s LEU 17 Cb -0.10 -3.86 0.24 0.00 0.03 0.00 0.00 46.19 42.50 1wf5 s LEU 17 CO 0.38 -0.04 1.08 -0.81 0.23 0.00 0.00 176.35 177.19 1wf5 n PRO 18 N 0.55 -2.02 -4.43 1.29 -0.04 -1.26 -3.81 135.00 125.28 1wf5 n PRO 18 Ca 0.00 -1.70 -0.25 0.00 -0.04 0.00 0.00 63.50 61.52 1wf5 n PRO 18 Cb 0.51 -1.34 -0.10 0.00 -0.04 0.00 0.00 33.50 32.53 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 -3.19 2.34 0.95 0.54 3.76 -1.19 -4.31 115.29 114.19 1wf5 s HIS 19 Ca 0.65 -0.33 -0.11 0.00 -0.15 0.00 0.00 55.06 55.13 1wf5 s HIS 19 Cb -0.04 -1.07 0.16 0.00 1.11 0.00 0.00 32.58 32.74 1wf5 s HIS 19 CO 0.48 0.63 1.10 0.00 -0.85 0.00 0.00 174.74 176.09 1wf5 s ALA 20 N -2.17 1.13 0.29 -1.40 0.00 -1.10 -4.27 121.76 114.24 1wf5 s ALA 20 Ca 0.27 0.25 -0.29 0.00 0.00 0.00 0.00 51.96 52.18 1wf5 s ALA 20 Cb -0.06 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.64 1wf5 s ALA 20 CO 0.14 -2.81 1.08 -1.25 0.00 0.00 0.00 175.76 172.92 1wf5 s PRO 21 N -4.70 4.62 0.62 0.00 0.04 -1.26 -4.57 135.00 129.75 1wf5 s PRO 21 Ca 0.66 1.75 0.06 0.00 0.04 0.00 0.00 61.00 63.51 1wf5 s PRO 21 Cb -0.22 -3.14 0.10 0.00 0.04 0.00 0.00 34.50 31.29 1wf5 s PRO 21 CO 0.59 0.21 0.86 -1.21 0.04 0.00 0.00 177.00 177.49 1wf5 s GLU 22 N -1.52 2.10 -1.21 4.56 2.02 -1.21 -4.54 118.70 118.91 1wf5 s GLU 22 Ca 0.45 -1.47 -0.14 0.00 0.02 0.00 0.00 54.97 53.83 1wf5 s GLU 22 Cb -0.30 -2.55 0.02 0.00 0.10 0.00 0.00 34.13 31.40 1wf5 s GLU 22 CO 0.39 -1.05 0.27 1.58 0.02 0.00 0.00 175.26 176.47 1wf5 n HIS 23 N -2.43 -1.12 -2.31 1.61 -0.00 -1.26 0.16 115.22 109.86 1wf5 n HIS 23 Ca 0.15 0.30 -0.36 0.00 0.46 0.00 0.00 57.72 58.28 1wf5 n HIS 23 Cb 0.61 -2.39 -0.03 0.00 -0.12 0.00 0.00 29.99 28.06 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 -4.29 2.42 -3.44 1.57 -0.04 -1.26 -3.91 135.00 126.05 1wf5 n PRO 24 Ca -0.20 -2.87 -0.38 0.00 -0.04 0.00 0.00 63.50 60.01 1wf5 n PRO 24 Cb 0.55 -3.60 -0.09 0.00 -0.04 0.00 0.00 33.50 30.32 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 7.51 5.22 -0.29 0.52 1.01 0.11 -4.43 120.40 130.04 1wf5 s VAL 25 Ca 0.61 0.55 0.03 0.00 0.00 0.00 0.00 61.98 63.17 1wf5 s VAL 25 Cb 0.02 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.80 1wf5 s VAL 25 CO 0.11 0.23 -0.04 0.00 0.00 0.00 0.00 175.10 175.40 1wf5 s ALA 26 N 1.60 2.56 0.06 5.51 0.00 -1.26 -0.66 121.76 129.57 1wf5 s ALA 26 Ca 0.15 -1.99 0.08 0.00 0.00 0.00 0.00 51.96 50.20 1wf5 s ALA 26 Cb -0.15 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 1wf5 s ALA 26 CO 0.08 -1.39 -0.18 0.95 0.00 0.00 0.00 175.76 175.22 1wf5 s THR 27 N 1.09 2.83 1.10 0.00 -4.23 -0.89 -4.81 115.64 110.73 1wf5 s THR 27 Ca -0.01 -1.27 -0.13 0.00 -1.18 0.00 0.00 61.69 59.11 1wf5 s THR 27 Cb -0.19 -2.22 0.25 0.00 1.34 0.00 0.00 72.50 71.67 1wf5 s THR 27 CO -0.07 0.27 1.06 -0.76 -0.54 0.00 0.00 174.62 174.57 1wf5 s LEU 28 N -1.65 1.07 -0.26 4.79 1.43 -1.26 0.20 118.68 123.00 1wf5 s LEU 28 Ca 0.16 1.29 -0.24 0.00 -1.03 0.00 0.00 54.13 54.31 1wf5 s LEU 28 Cb -0.11 -3.30 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 1wf5 s LEU 28 CO 0.07 -3.78 0.80 -0.94 0.23 0.00 0.00 176.35 172.73 1wf5 s SER 29 N -3.00 6.77 -0.03 2.29 1.04 0.51 -4.31 113.70 116.96 1wf5 s SER 29 Ca 0.67 0.92 0.07 0.00 0.48 0.00 0.00 55.95 58.09 1wf5 s SER 29 Cb -0.22 -2.42 0.25 0.00 0.10 0.00 0.00 66.02 63.73 1wf5 s SER 29 CO 0.61 -0.52 1.08 0.35 0.98 0.00 0.00 173.24 175.74 1wf5 n THR 30 N 5.31 0.60 0.03 2.02 -2.24 -1.26 -4.12 114.28 114.62 1wf5 n THR 30 Ca 0.05 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1wf5 n THR 30 Cb 0.48 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.23 0.03 -2.37 2.28 0.24 -1.26 -5.11 118.33 112.38 1wf5 n VAL 31 Ca 0.09 0.01 -0.28 0.00 -2.04 0.00 0.00 64.34 62.12 1wf5 n VAL 31 Cb 0.37 -0.61 0.01 0.00 -1.47 0.00 0.00 33.84 32.14 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 -2.00 3.43 -0.11 7.34 0.41 -1.26 -5.07 118.70 121.43 1wf5 s GLU 32 Ca 0.00 0.32 -0.06 0.00 -0.41 0.00 0.00 54.97 54.82 1wf5 s GLU 32 Cb 0.00 -2.27 -0.04 0.00 -1.78 0.00 0.00 34.13 30.04 1wf5 s GLU 32 CO 0.00 -0.42 0.11 1.03 -0.49 0.00 0.00 175.26 175.49 1wf5 s ARG 33 N -4.92 3.35 -1.40 1.61 1.81 -1.26 -4.42 118.95 113.72 1wf5 s ARG 33 Ca 0.51 -0.19 -0.04 0.00 -1.72 0.00 0.00 55.73 54.29 1wf5 s ARG 33 Cb -0.11 -3.11 0.03 0.00 -0.45 0.00 0.00 34.95 31.31 1wf5 s ARG 33 CO 0.48 0.75 0.68 0.54 -0.68 0.00 0.00 175.30 177.07 1wf5 n ARG 34 N 2.05 -4.51 -3.75 3.54 1.74 -1.26 -4.81 116.66 109.65 1wf5 n ARG 34 Ca -0.20 0.54 -0.14 0.00 -0.77 0.00 0.00 57.85 57.29 1wf5 n ARG 34 Cb 0.55 -5.06 -0.15 0.00 -1.02 0.00 0.00 32.46 26.78 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 -3.66 -0.17 -0.09 7.54 0.00 -1.26 -2.42 121.76 121.71 1wf5 s ALA 35 Ca 0.17 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1wf5 s ALA 35 Cb -0.09 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 1wf5 s ALA 35 CO 0.84 -0.14 -0.08 0.42 0.00 0.00 0.00 175.76 176.80 1wf5 s ILE 36 N 1.15 3.55 -0.52 0.00 1.01 -0.69 0.19 121.20 125.89 1wf5 s ILE 36 Ca -0.09 -0.52 -0.19 0.00 0.00 0.00 0.00 60.65 59.85 1wf5 s ILE 36 Cb -0.12 -2.47 0.07 0.00 0.01 0.00 0.00 42.46 39.95 1wf5 s ILE 36 CO -0.05 0.56 0.63 0.20 0.00 0.00 0.00 174.94 176.29 1wf5 s ASN 37 N -0.38 6.21 -0.11 3.58 0.01 0.54 -1.43 114.94 123.37 1wf5 s ASN 37 Ca 0.05 -1.05 -0.24 0.00 -0.71 0.00 0.00 52.86 50.91 1wf5 s ASN 37 Cb -0.12 -2.29 -0.03 0.00 0.41 0.00 0.00 41.25 39.22 1wf5 s ASN 37 CO 0.02 -0.93 0.75 -0.22 -1.51 0.00 0.00 177.10 175.21 1wf5 s LEU 38 N 2.60 4.25 -0.03 0.60 1.98 0.52 -2.10 118.68 126.50 1wf5 s LEU 38 Ca 0.14 1.17 -0.00 0.00 -2.89 0.00 0.00 54.13 52.54 1wf5 s LEU 38 Cb -0.21 -3.14 0.03 0.00 0.66 0.00 0.00 46.19 43.54 1wf5 s LEU 38 CO 0.10 -0.23 0.02 0.42 -1.89 0.00 0.00 176.35 174.77 1wf5 s THR 39 N 1.37 0.04 0.26 3.68 -4.23 0.16 0.51 115.64 117.44 1wf5 s THR 39 Ca 0.38 0.21 0.05 0.00 -1.18 0.00 0.00 61.69 61.14 1wf5 s THR 39 Cb -0.17 -0.19 -0.02 0.00 1.34 0.00 0.00 72.50 73.46 1wf5 s THR 39 CO 0.16 0.14 0.17 -2.67 -0.54 0.00 0.00 174.62 171.88 1wf5 n TRP 40 N 4.45 -0.32 -4.17 3.99 2.14 0.29 0.04 117.44 123.85 1wf5 n TRP 40 Ca -0.21 -2.00 -0.25 0.00 2.07 0.00 0.00 57.50 57.11 1wf5 n TRP 40 Cb 0.50 0.13 -0.07 0.00 -0.81 0.00 0.00 31.31 31.07 1wf5 n TRP 40 CO 0.00 0.00 0.00 0.99 2.07 0.00 0.00 177.69 180.75 1wf5 s THR 41 N -2.87 4.01 -0.39 -1.67 2.01 0.12 -4.71 115.64 112.15 1wf5 s THR 41 Ca 0.24 -1.38 -0.29 0.00 0.31 0.00 0.00 61.69 60.57 1wf5 s THR 41 Cb 0.01 -3.06 0.02 0.00 0.01 0.00 0.00 72.50 69.48 1wf5 s THR 41 CO 0.17 -0.17 1.13 -0.75 -0.69 0.00 0.00 174.62 174.31 1wf5 s LYS 42 N -3.20 3.90 1.03 4.92 2.36 -1.26 -3.28 119.74 124.21 1wf5 s LYS 42 Ca 0.30 0.87 -0.16 0.00 -2.55 0.00 0.00 55.97 54.43 1wf5 s LYS 42 Cb -0.09 -3.83 0.21 0.00 -1.05 0.00 0.00 37.83 33.07 1wf5 s LYS 42 CO 0.21 -1.14 1.19 -1.25 1.55 0.00 0.00 175.35 175.92 1wf5 s PRO 43 N 4.07 0.16 -0.07 4.03 0.04 -1.26 -4.93 135.00 137.04 1wf5 s PRO 43 Ca 0.48 -0.08 -0.26 0.00 0.04 0.00 0.00 61.00 61.18 1wf5 s PRO 43 Cb -0.10 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 1wf5 s PRO 43 CO 0.23 -2.79 0.81 0.12 0.04 0.00 0.00 177.00 175.42 1wf5 s PHE 44 N -3.41 3.57 -0.03 0.56 2.19 -1.26 -4.93 117.98 114.66 1wf5 s PHE 44 Ca 0.70 1.39 -0.28 0.00 0.33 0.00 0.00 56.93 59.06 1wf5 s PHE 44 Cb -0.09 -2.95 -0.03 0.00 -1.31 0.00 0.00 43.02 38.64 1wf5 s PHE 44 CO 0.54 -0.02 0.92 0.16 1.83 0.00 0.00 175.22 178.65 1wf5 s ASP 45 N 0.94 7.26 0.29 6.13 -4.77 -1.26 -3.17 116.67 122.09 1wf5 s ASP 45 Ca 0.42 1.53 0.01 0.00 -3.30 0.00 0.00 52.55 51.21 1wf5 s ASP 45 Cb -0.18 -2.53 0.69 0.00 -1.09 0.00 0.00 42.92 39.81 1wf5 s ASP 45 CO 0.20 -0.25 1.63 1.23 0.70 0.00 0.00 175.17 178.67 1wf5 h GLY 46 N 6.98 1.29 0.00 2.12 0.00 -1.71 -3.43 103.07 108.33 1wf5 h GLY 46 Ca -0.39 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1wf5 h GLY 46 CO 0.77 -0.39 0.00 -2.01 0.00 0.00 0.00 176.54 174.90 1wf5 n ASN 47 N -5.29 0.00 -4.94 0.19 5.15 -1.26 -4.39 115.26 104.73 1wf5 n ASN 47 Ca 0.21 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.95 1wf5 n ASN 47 Cb 0.68 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.92 1wf5 n ASN 47 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1wf5 s SER 48 N -0.73 6.27 0.53 1.20 0.15 -1.26 -5.02 113.70 114.83 1wf5 s SER 48 Ca 0.00 0.50 -0.18 0.00 0.70 0.00 0.00 55.95 56.97 1wf5 s SER 48 Cb 0.00 -2.03 -0.06 0.00 -1.71 0.00 0.00 66.02 62.21 1wf5 s SER 48 CO 0.00 -0.35 1.04 -2.16 1.20 0.00 0.00 173.24 172.97 1wf5 s PRO 49 N -4.38 3.62 0.30 5.44 0.04 -1.26 -4.83 135.00 133.92 1wf5 s PRO 49 Ca 0.41 1.27 -0.29 0.00 0.04 0.00 0.00 61.00 62.43 1wf5 s PRO 49 Cb -0.10 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 1wf5 s PRO 49 CO 0.37 -0.57 1.18 -0.51 0.04 0.00 0.00 177.00 177.51 1wf5 s LEU 50 N -3.93 4.51 -0.23 -3.56 1.43 -1.26 -4.14 118.68 111.50 1wf5 s LEU 50 Ca 0.65 2.42 -0.16 0.00 -1.03 0.00 0.00 54.13 56.02 1wf5 s LEU 50 Cb -0.16 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.32 1wf5 s LEU 50 CO 0.27 -0.29 -0.27 -0.38 0.23 0.00 0.00 176.35 175.92 1wf5 n ILE 51 N 1.06 1.51 -3.93 -0.59 5.41 0.25 -4.66 119.36 118.41 1wf5 n ILE 51 Ca -0.01 -0.14 -0.09 0.00 1.00 0.00 0.00 62.75 63.51 1wf5 n ILE 51 Cb 0.44 -2.08 -0.05 0.00 -0.71 0.00 0.00 39.64 37.23 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 -2.59 1.40 -0.08 0.38 1.70 -0.85 -4.20 118.95 114.71 1wf5 s ARG 52 Ca -0.33 -1.15 0.02 0.00 -0.47 0.00 0.00 55.73 53.81 1wf5 s ARG 52 Cb 0.10 0.45 0.01 0.00 -0.57 0.00 0.00 34.95 34.94 1wf5 s ARG 52 CO 0.46 -0.57 -0.14 0.71 -1.08 0.00 0.00 175.30 174.69 1wf5 s TYR 53 N -3.97 1.65 -0.19 5.89 1.51 -1.10 -1.81 117.35 119.32 1wf5 s TYR 53 Ca 0.18 -0.65 -0.15 0.00 -1.01 0.00 0.00 57.07 55.44 1wf5 s TYR 53 Cb 0.00 -1.19 -0.04 0.00 -0.11 0.00 0.00 41.96 40.62 1wf5 s TYR 53 CO 0.04 -0.33 0.36 0.42 -1.11 0.00 0.00 175.55 174.93 1wf5 s ILE 54 N 0.72 5.24 -0.21 2.71 1.01 -1.15 -3.18 121.20 126.33 1wf5 s ILE 54 Ca -0.13 0.64 -0.01 0.00 0.00 0.00 0.00 60.65 61.15 1wf5 s ILE 54 Cb -0.16 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.64 1wf5 s ILE 54 CO 0.03 0.30 -0.12 -0.22 0.00 0.00 0.00 174.94 174.93 1wf5 s LEU 55 N 1.05 2.69 -0.21 2.97 1.98 0.25 -0.68 118.68 126.72 1wf5 s LEU 55 Ca 0.18 -0.72 -0.06 0.00 -2.89 0.00 0.00 54.13 50.65 1wf5 s LEU 55 Cb -0.14 -1.59 -0.02 0.00 0.66 0.00 0.00 46.19 45.09 1wf5 s LEU 55 CO 0.07 -0.05 0.01 -1.61 -1.89 0.00 0.00 176.35 172.88 1wf5 s GLU 56 N 1.33 3.61 -0.00 1.98 8.01 -0.58 -0.71 118.70 132.32 1wf5 s GLU 56 Ca 0.03 -0.52 -0.01 0.00 0.01 0.00 0.00 54.97 54.48 1wf5 s GLU 56 Cb -0.15 -3.14 -0.04 0.00 -4.31 0.00 0.00 34.13 26.50 1wf5 s GLU 56 CO -0.08 -0.06 0.11 1.41 0.01 0.00 0.00 175.26 176.65 1wf5 s MET 57 N 1.20 3.17 -0.19 1.61 1.75 -0.65 -2.02 119.30 124.17 1wf5 s MET 57 Ca 0.03 -0.44 0.01 0.00 -1.25 0.00 0.00 55.69 54.04 1wf5 s MET 57 Cb -0.14 -2.93 0.04 0.00 2.84 0.00 0.00 34.83 34.64 1wf5 s MET 57 CO 0.02 0.65 -0.10 0.45 -0.65 0.00 0.00 175.02 175.39 1wf5 s SER 58 N -1.81 3.30 -0.83 1.11 0.15 0.09 -0.21 113.70 115.50 1wf5 s SER 58 Ca 0.24 -0.84 -0.21 0.00 0.70 0.00 0.00 55.95 55.84 1wf5 s SER 58 Cb -0.12 -1.21 0.10 0.00 -1.71 0.00 0.00 66.02 63.08 1wf5 s SER 58 CO 0.15 -0.14 1.10 -0.70 1.20 0.00 0.00 173.24 174.86 1wf5 s GLU 59 N 1.42 3.40 3.45 5.44 2.12 -1.26 -0.35 118.70 132.92 1wf5 s GLU 59 Ca -0.01 -1.31 0.00 0.00 0.36 0.00 0.00 54.97 54.01 1wf5 s GLU 59 Cb -0.16 -4.69 0.00 0.00 0.26 0.00 0.00 34.13 29.54 1wf5 s GLU 59 CO -0.08 -1.84 0.00 0.09 -0.54 0.00 0.00 175.26 172.88 1wf5 n ASN 60 N 7.30 0.00 -0.97 -1.70 3.02 -0.91 0.42 115.26 122.42 1wf5 n ASN 60 Ca 0.14 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.77 1wf5 n ASN 60 Cb 0.48 0.00 0.25 0.00 -0.61 0.00 0.00 39.78 39.90 1wf5 n ASN 60 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1wf5 n ASN 61 N 6.64 3.84 -4.80 6.41 5.15 -1.26 -4.99 115.26 126.25 1wf5 n ASN 61 Ca 0.00 -2.65 -0.34 0.00 -0.60 0.00 0.00 54.58 50.99 1wf5 n ASN 61 Cb 0.00 -0.47 -0.03 0.00 -0.53 0.00 0.00 39.78 38.75 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 -2.18 2.86 0.35 5.20 0.00 0.17 -5.01 121.76 123.15 1wf5 s ALA 62 Ca 0.39 0.60 -0.26 0.00 0.00 0.00 0.00 51.96 52.69 1wf5 s ALA 62 Cb 0.28 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 20.06 1wf5 s ALA 62 CO 0.13 -0.35 1.06 -1.25 0.00 0.00 0.00 175.76 175.36 1wf5 s PRO 63 N -3.28 4.35 -0.52 0.00 0.04 -1.26 -4.10 135.00 130.23 1wf5 s PRO 63 Ca 0.67 1.62 -0.40 0.00 0.04 0.00 0.00 61.00 62.93 1wf5 s PRO 63 Cb -0.16 -2.80 -0.17 0.00 0.04 0.00 0.00 34.50 31.41 1wf5 s PRO 63 CO 0.21 0.00 2.23 0.91 0.04 0.00 0.00 177.00 180.39 1wf5 n TRP 64 N 0.43 1.20 -3.72 0.56 7.02 -1.26 -4.72 117.44 116.94 1wf5 n TRP 64 Ca 0.03 0.59 -0.38 0.00 -1.02 0.00 0.00 57.50 56.72 1wf5 n TRP 64 Cb 0.48 -2.37 -0.11 0.00 -2.42 0.00 0.00 31.31 26.89 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 6.82 3.71 -0.58 -0.99 -1.32 0.71 -4.85 115.64 119.14 1wf5 s THR 65 Ca 1.19 -1.49 -0.28 0.00 -1.21 0.00 0.00 61.69 59.90 1wf5 s THR 65 Cb -1.28 -3.28 -0.11 0.00 -1.51 0.00 0.00 72.50 66.32 1wf5 s THR 65 CO 0.59 -0.42 2.45 0.55 -2.21 0.00 0.00 174.62 175.59 1wf5 n VAL 66 N 4.77 -0.02 -0.07 5.08 3.14 -1.26 -1.64 118.33 128.33 1wf5 n VAL 66 Ca -0.09 -0.57 -0.14 0.00 -2.96 0.00 0.00 64.34 60.58 1wf5 n VAL 66 Cb 0.43 -2.20 -0.12 0.00 -1.06 0.00 0.00 33.84 30.89 1wf5 n VAL 66 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1wf5 h LEU 67 N 17.17 0.00 -8.13 6.55 3.38 -1.27 -3.43 115.31 129.57 1wf5 h LEU 67 Ca -0.21 -0.88 -0.69 0.00 0.09 0.00 0.00 57.88 56.19 1wf5 h LEU 67 Cb 1.28 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.73 1wf5 h LEU 67 CO 1.19 1.01 -0.66 -0.76 0.09 0.00 0.00 178.44 179.32 1wf5 s LEU 68 N -8.21 4.06 -0.12 1.67 1.43 -1.12 -4.97 118.68 111.43 1wf5 s LEU 68 Ca -0.19 -1.17 -0.06 0.00 -1.03 0.00 0.00 54.13 51.69 1wf5 s LEU 68 Cb -0.02 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1wf5 s LEU 68 CO 0.63 -0.28 -0.11 0.00 0.23 0.00 0.00 176.35 176.82 1wf5 h ALA 69 N 8.11 0.00 -1.80 4.21 0.00 -1.84 0.72 119.26 128.66 1wf5 h ALA 69 Ca -0.23 -0.33 -0.65 0.00 0.00 0.00 0.00 54.91 53.70 1wf5 h ALA 69 Cb 1.08 0.32 -0.16 0.00 0.00 0.00 0.00 17.79 19.03 1wf5 h ALA 69 CO 0.57 0.32 0.39 0.45 0.00 0.00 0.00 179.25 180.98 1wf5 s SER 70 N -5.54 6.22 0.18 0.00 0.15 -1.26 -4.02 113.70 109.43 1wf5 s SER 70 Ca -0.09 -0.93 0.11 0.00 0.70 0.00 0.00 55.95 55.73 1wf5 s SER 70 Cb 0.01 -2.38 -0.04 0.00 -1.71 0.00 0.00 66.02 61.90 1wf5 s SER 70 CO 0.14 -1.25 -0.20 -0.69 1.20 0.00 0.00 173.24 172.43 1wf5 s VAL 71 N 3.57 2.58 0.17 4.45 1.01 -1.19 -4.91 120.40 126.08 1wf5 s VAL 71 Ca 0.21 -1.89 -0.31 0.00 0.00 0.00 0.00 61.98 59.99 1wf5 s VAL 71 Cb -0.18 -2.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.88 1wf5 s VAL 71 CO 0.12 -0.09 1.40 -0.62 0.00 0.00 0.00 175.10 175.91 1wf5 s ASP 72 N -2.63 6.78 0.25 3.32 2.15 -1.26 -2.72 116.67 122.56 1wf5 s ASP 72 Ca 0.21 2.46 0.25 0.00 0.43 0.00 0.00 52.55 55.90 1wf5 s ASP 72 Cb -0.08 -2.60 0.90 0.00 -0.30 0.00 0.00 42.92 40.83 1wf5 s ASP 72 CO 0.11 -0.65 1.75 1.55 -0.17 0.00 0.00 175.17 177.76 1wf5 h PRO 73 N 6.03 0.00 -0.55 4.34 0.13 -1.83 -2.40 132.00 137.72 1wf5 h PRO 73 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1wf5 h PRO 73 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wf5 h PRO 73 CO 0.83 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.23 1wf5 n LYS 74 N -2.31 2.61 -3.89 0.86 5.02 -1.26 -4.85 118.16 114.33 1wf5 n LYS 74 Ca 0.04 -2.44 -0.35 0.00 -2.02 0.00 0.00 58.31 53.53 1wf5 n LYS 74 Cb 0.34 -1.52 -0.05 0.00 -0.02 0.00 0.00 35.03 33.77 1wf5 n LYS 74 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wf5 s ALA 75 N -1.20 3.92 0.00 7.82 0.00 -0.90 -4.98 121.76 126.42 1wf5 s ALA 75 Ca 0.42 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1wf5 s ALA 75 Cb 0.23 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1wf5 s ALA 75 CO 0.31 0.68 0.56 0.25 0.00 0.00 0.00 175.76 177.56 1wf5 n THR 76 N 1.48 0.25 -3.85 0.00 -2.24 -1.26 -4.92 114.28 103.74 1wf5 n THR 76 Ca -0.16 -0.53 -0.10 0.00 -2.27 0.00 0.00 64.05 60.99 1wf5 n THR 76 Cb 0.54 1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.25 0.06 0.08 3.42 1.04 -1.25 0.10 113.70 116.90 1wf5 s SER 77 Ca 0.00 -0.45 -0.17 0.00 0.48 0.00 0.00 55.95 55.81 1wf5 s SER 77 Cb 0.00 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.46 1wf5 s SER 77 CO 0.00 -0.61 0.40 0.54 0.98 0.00 0.00 173.24 174.55 1wf5 s VAL 78 N -2.98 0.06 -0.09 5.02 0.11 0.18 -4.95 120.40 117.75 1wf5 s VAL 78 Ca -0.02 -0.52 0.01 0.00 -2.93 0.00 0.00 61.98 58.52 1wf5 s VAL 78 Cb 0.01 -1.04 -0.02 0.00 -1.53 0.00 0.00 36.38 33.79 1wf5 s VAL 78 CO -0.06 -0.29 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.41 1wf5 s THR 79 N -3.02 3.22 -0.33 5.04 2.01 -1.26 0.19 115.64 121.49 1wf5 s THR 79 Ca -0.02 -0.63 -0.02 0.00 0.31 0.00 0.00 61.69 61.33 1wf5 s THR 79 Cb 0.00 -2.32 0.07 0.00 0.01 0.00 0.00 72.50 70.26 1wf5 s THR 79 CO -0.06 0.56 0.06 -0.69 -0.69 0.00 0.00 174.62 173.79 1wf5 s VAL 80 N -0.20 3.08 0.10 3.82 1.01 -0.51 -4.93 120.40 122.77 1wf5 s VAL 80 Ca 0.01 -1.57 0.05 0.00 0.00 0.00 0.00 61.98 60.47 1wf5 s VAL 80 Cb -0.13 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1wf5 s VAL 80 CO 0.03 -0.27 -0.02 -0.54 0.00 0.00 0.00 175.10 174.29 1wf5 s LYS 81 N 1.22 2.44 0.00 2.72 1.02 -1.26 -1.70 119.74 124.19 1wf5 s LYS 81 Ca -0.01 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.09 1wf5 s LYS 81 Cb -0.20 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.63 1wf5 s LYS 81 CO -0.02 0.53 0.00 0.41 -0.92 0.00 0.00 175.35 175.35 1wf5 n GLY 82 N 0.56 1.09 3.75 -3.33 0.00 -1.01 -5.03 105.19 101.22 1wf5 n GLY 82 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 3.17 0.08 0.99 1.02 -1.24 -5.01 118.68 117.69 1wf5 s LEU 83 Ca 0.00 2.02 -0.15 0.00 0.02 0.00 0.00 54.13 56.02 1wf5 s LEU 83 Cb 0.00 -4.55 -0.06 0.00 0.02 0.00 0.00 46.19 41.60 1wf5 s LEU 83 CO 0.00 -2.08 0.50 -0.69 0.02 0.00 0.00 176.35 174.09 1wf5 s VAL 84 N -2.54 4.91 0.36 -1.59 1.01 -1.26 -4.89 120.40 116.40 1wf5 s VAL 84 Ca 0.66 0.87 -0.26 0.00 0.00 0.00 0.00 61.98 63.25 1wf5 s VAL 84 Cb -0.21 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 1wf5 s VAL 84 CO 0.50 0.41 1.06 -2.16 0.00 0.00 0.00 175.10 174.90 1wf5 s PRO 85 N -1.54 4.32 -1.12 2.72 0.04 -1.26 -3.58 135.00 134.59 1wf5 s PRO 85 Ca 0.32 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 62.93 1wf5 s PRO 85 Cb -0.16 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1wf5 s PRO 85 CO 0.17 -0.02 0.95 0.00 0.04 0.00 0.00 177.00 178.14 1wf5 n ALA 86 N 0.34 -1.66 -3.22 8.56 0.00 -1.19 -4.86 120.51 118.48 1wf5 n ALA 86 Ca 0.03 0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 1wf5 n ALA 86 Cb 0.48 -2.96 -0.09 0.00 0.00 0.00 0.00 19.45 16.89 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 -5.47 0.64 0.12 0.00 0.52 -1.23 -4.92 118.95 108.61 1wf5 s ARG 87 Ca 0.14 -0.22 -0.09 0.00 -0.52 0.00 0.00 55.73 55.03 1wf5 s ARG 87 Cb -0.06 0.28 -0.06 0.00 0.52 0.00 0.00 34.95 35.63 1wf5 s ARG 87 CO 0.66 -0.17 0.43 -1.54 0.02 0.00 0.00 175.30 174.70 1wf5 s SER 88 N -1.33 6.63 -0.07 0.23 1.04 -1.26 0.12 113.70 119.05 1wf5 s SER 88 Ca -0.14 0.80 -0.04 0.00 0.48 0.00 0.00 55.95 57.06 1wf5 s SER 88 Cb -0.06 -2.18 0.04 0.00 0.10 0.00 0.00 66.02 63.92 1wf5 s SER 88 CO 0.04 0.10 0.17 -0.31 0.98 0.00 0.00 173.24 174.22 1wf5 s TYR 89 N -1.52 -0.20 0.09 5.02 2.02 0.24 -2.13 117.35 120.85 1wf5 s TYR 89 Ca 0.37 0.55 0.05 0.00 -0.37 0.00 0.00 57.07 57.68 1wf5 s TYR 89 Cb -0.13 -0.04 -0.04 0.00 -0.40 0.00 0.00 41.96 41.35 1wf5 s TYR 89 CO 0.20 -0.17 -0.04 -0.65 -1.57 0.00 0.00 175.55 173.32 1wf5 s GLN 90 N 1.08 2.42 0.03 -0.62 -0.21 0.52 -2.89 119.66 120.00 1wf5 s GLN 90 Ca -0.08 -0.88 0.05 0.00 0.02 0.00 0.00 55.36 54.47 1wf5 s GLN 90 Cb -0.10 -2.47 -0.02 0.00 1.00 0.00 0.00 33.01 31.42 1wf5 s GLN 90 CO -0.06 0.54 -0.16 -0.06 -2.12 0.00 0.00 175.29 173.43 1wf5 s PHE 91 N -1.25 1.38 -0.30 0.91 0.08 -1.26 -0.73 117.98 116.81 1wf5 s PHE 91 Ca 0.24 -0.34 -0.04 0.00 0.12 0.00 0.00 56.93 56.91 1wf5 s PHE 91 Cb -0.11 -0.83 0.19 0.00 -0.57 0.00 0.00 43.02 41.69 1wf5 s PHE 91 CO 0.16 0.04 0.79 -0.98 -0.10 0.00 0.00 175.22 175.12 1wf5 s ARG 92 N -1.01 0.40 0.16 0.44 1.70 -0.86 -2.48 118.95 117.30 1wf5 s ARG 92 Ca 0.04 0.55 0.08 0.00 -0.47 0.00 0.00 55.73 55.93 1wf5 s ARG 92 Cb -0.08 0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 1wf5 s ARG 92 CO 0.01 -0.58 -0.06 -0.48 -1.08 0.00 0.00 175.30 173.11 1wf5 s LEU 93 N 2.89 3.11 0.47 -1.89 2.34 -1.25 -1.53 118.68 122.82 1wf5 s LEU 93 Ca 0.14 -0.47 0.03 0.00 0.06 0.00 0.00 54.13 53.89 1wf5 s LEU 93 Cb -0.10 -1.81 -0.03 0.00 -0.56 0.00 0.00 46.19 43.69 1wf5 s LEU 93 CO -0.21 0.11 0.01 0.00 -1.06 0.00 0.00 176.35 175.21 1wf5 s ALA 95 N -2.85 3.61 -0.02 0.00 0.00 -1.26 -2.93 121.76 118.31 1wf5 s ALA 95 Ca 0.15 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1wf5 s ALA 95 Cb 0.04 -1.74 0.02 0.00 0.00 0.00 0.00 23.12 21.45 1wf5 s ALA 95 CO 0.08 0.62 -0.01 0.08 0.00 0.00 0.00 175.76 176.52 1wf5 s VAL 96 N -0.99 0.24 0.20 0.00 1.01 -0.75 -1.20 120.40 118.90 1wf5 s VAL 96 Ca 0.15 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1wf5 s VAL 96 Cb -0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 1wf5 s VAL 96 CO 0.04 0.13 0.11 -0.46 0.00 0.00 0.00 175.10 174.93 1wf5 n ASN 97 N 3.84 0.47 0.02 3.32 0.23 0.31 -0.58 115.26 122.87 1wf5 n ASN 97 Ca -0.23 -2.15 0.04 0.00 -0.53 0.00 0.00 54.58 51.71 1wf5 n ASN 97 Cb 0.52 0.69 0.42 0.00 -2.08 0.00 0.00 39.78 39.33 1wf5 n ASN 97 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1wf5 h ASP 98 N 0.95 0.43 -0.55 0.53 2.03 -1.94 -0.63 116.42 117.24 1wf5 h ASP 98 Ca -0.15 -0.02 -0.05 0.00 -0.73 0.00 0.00 57.03 56.08 1wf5 h ASP 98 Cb 0.63 -0.11 -0.03 0.00 -0.83 0.00 0.00 39.33 39.00 1wf5 h ASP 98 CO 0.23 0.35 0.18 -0.37 -1.03 0.00 0.00 179.24 178.60 1wf5 h VAL 99 N 0.50 1.23 0.00 4.15 -1.51 -1.90 -3.49 116.25 115.23 1wf5 h VAL 99 Ca 0.13 -0.78 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1wf5 h VAL 99 Cb 0.01 0.58 0.00 0.00 -2.13 0.00 0.00 31.29 29.75 1wf5 h VAL 99 CO -0.02 0.30 0.00 0.61 -1.23 0.00 0.00 177.57 177.23 1wf5 n GLY 100 N -0.91 -0.03 3.43 5.19 0.00 -0.25 -4.96 105.19 107.67 1wf5 n GLY 100 Ca 0.05 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.73 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 1.52 0.00 1.61 2.20 -1.26 0.11 119.74 121.93 1wf5 s LYS 101 Ca 0.00 -1.51 0.00 0.00 -0.36 0.00 0.00 55.97 54.10 1wf5 s LYS 101 Cb 0.00 -1.86 0.00 0.00 -1.51 0.00 0.00 37.83 34.46 1wf5 s LYS 101 CO 0.00 0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.80 1wf5 n GLY 102 N 0.30 0.95 3.48 5.54 0.00 -0.34 -4.72 105.19 110.40 1wf5 n GLY 102 Ca -0.13 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 4.02 1.70 0.49 1.61 -2.07 -1.26 -4.90 119.66 119.25 1wf5 s GLN 103 Ca 0.00 -1.66 -0.04 0.00 -1.82 0.00 0.00 55.36 51.84 1wf5 s GLN 103 Cb 0.00 -1.84 -0.02 0.00 -1.09 0.00 0.00 33.01 30.06 1wf5 s GLN 103 CO 0.00 0.36 0.78 -0.06 -1.32 0.00 0.00 175.29 175.04 1wf5 s PHE 104 N -2.24 3.42 0.49 9.60 0.40 -1.26 -2.72 117.98 125.66 1wf5 s PHE 104 Ca 0.27 0.63 -0.14 0.00 -0.60 0.00 0.00 56.93 57.10 1wf5 s PHE 104 Cb -0.06 -2.39 -0.07 0.00 0.51 0.00 0.00 43.02 41.01 1wf5 s PHE 104 CO 0.14 -0.41 0.92 -1.54 0.70 0.00 0.00 175.22 175.03 1wf5 s SER 105 N -4.17 6.55 0.85 1.36 1.04 -1.04 -4.78 113.70 113.51 1wf5 s SER 105 Ca 0.49 1.40 -0.13 0.00 0.48 0.00 0.00 55.95 58.19 1wf5 s SER 105 Cb -0.10 -2.44 0.08 0.00 0.10 0.00 0.00 66.02 63.66 1wf5 s SER 105 CO 0.43 -0.55 0.99 0.29 0.98 0.00 0.00 173.24 175.38 1wf5 n LYS 106 N -1.60 -0.06 -1.58 4.02 5.02 -1.26 -4.66 118.16 118.04 1wf5 n LYS 106 Ca 0.05 0.05 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 1wf5 n LYS 106 Cb 0.54 -2.27 -0.03 0.00 -0.02 0.00 0.00 35.03 33.25 1wf5 n LYS 106 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1wf5 n ASP 107 N -2.94 3.10 -4.55 4.39 5.68 -1.26 -4.75 116.55 116.22 1wf5 n ASP 107 Ca 0.12 0.18 -0.37 0.00 -0.50 0.00 0.00 54.79 54.21 1wf5 n ASP 107 Cb 0.51 -1.53 0.05 0.00 -1.14 0.00 0.00 41.12 39.02 1wf5 n ASP 107 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1wf5 n THR 108 N 7.73 3.02 -1.46 2.12 -2.24 -1.04 -4.71 114.28 117.70 1wf5 n THR 108 Ca 0.32 -0.48 -0.57 0.00 -2.27 0.00 0.00 64.05 61.04 1wf5 n THR 108 Cb 0.43 -0.94 -0.08 0.00 -2.10 0.00 0.00 70.33 67.64 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 -0.73 0.00 -1.35 -0.78 1.02 -1.26 -4.51 120.64 113.03 1wf5 n GLU 109 Ca 0.13 0.00 -0.53 0.00 -0.02 0.00 0.00 57.16 56.74 1wf5 n GLU 109 Cb 0.48 -1.34 -0.12 0.00 -0.02 0.00 0.00 31.44 30.44 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 2.58 0.12 -3.34 3.49 0.63 -1.26 -4.84 116.66 114.03 1wf5 n ARG 110 Ca 0.23 0.03 -0.39 0.00 -0.92 0.00 0.00 57.85 56.80 1wf5 n ARG 110 Cb 0.00 -1.63 -0.07 0.00 0.45 0.00 0.00 32.46 31.21 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 7.13 5.17 -0.07 5.15 1.01 -1.14 -4.96 120.40 132.68 1wf5 s VAL 111 Ca 1.23 0.77 -0.01 0.00 0.00 0.00 0.00 61.98 63.97 1wf5 s VAL 111 Cb -1.34 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 31.24 1wf5 s VAL 111 CO 0.59 0.22 0.00 -0.55 0.00 0.00 0.00 175.10 175.35 1wf5 s SER 112 N 1.15 5.22 0.45 3.32 0.15 -1.26 0.80 113.70 123.53 1wf5 s SER 112 Ca 0.20 0.12 -0.20 0.00 0.70 0.00 0.00 55.95 56.78 1wf5 s SER 112 Cb -0.15 -1.45 -0.10 0.00 -1.71 0.00 0.00 66.02 62.61 1wf5 s SER 112 CO 0.09 0.37 0.97 -0.76 1.20 0.00 0.00 173.24 175.10 1wf5 s LEU 113 N -0.98 3.86 -0.28 3.45 2.01 0.34 -4.93 118.68 122.15 1wf5 s LEU 113 Ca 0.14 1.68 -0.29 0.00 0.01 0.00 0.00 54.13 55.67 1wf5 s LEU 113 Cb -0.11 -4.53 -0.00 0.00 0.01 0.00 0.00 46.19 41.55 1wf5 s LEU 113 CO 0.03 -0.45 1.34 -2.16 1.01 0.00 0.00 176.35 176.12 1wf5 s PRO 114 N -3.39 3.92 -0.53 1.29 0.04 -1.26 -3.17 135.00 131.90 1wf5 s PRO 114 Ca 0.62 1.33 -0.26 0.00 0.04 0.00 0.00 61.00 62.72 1wf5 s PRO 114 Cb -0.10 -3.89 -0.08 0.00 0.04 0.00 0.00 34.50 30.47 1wf5 s PRO 114 CO 0.18 -1.11 2.43 -1.91 0.04 0.00 0.00 177.00 176.63 1wf5 n GLU 115 N 7.31 0.96 -3.35 4.56 0.00 -1.26 -3.87 120.64 124.99 1wf5 n GLU 115 Ca 0.15 -0.05 -0.38 0.00 0.00 0.00 0.00 57.16 56.87 1wf5 n GLU 115 Cb 0.46 -3.37 -0.07 0.00 0.00 0.00 0.00 31.44 28.46 1wf5 n GLU 115 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1wf5 s SER 116 N 12.02 6.47 0.00 4.31 0.15 -1.26 -4.92 113.70 130.47 1wf5 s SER 116 Ca 1.00 0.56 0.00 0.00 0.70 0.00 0.00 55.95 58.21 1wf5 s SER 116 Cb -0.23 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1wf5 s SER 116 CO 0.26 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.21 1wf5 n GLY 117 N 3.92 3.83 0.14 9.45 0.00 -1.26 -4.98 105.19 116.29 1wf5 n GLY 117 Ca -0.07 -1.51 -0.17 0.00 0.00 0.00 0.00 46.02 44.27 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 0.42 -5.79 1.61 0.13 -1.93 -3.47 132.00 122.98 1wf5 h PRO 118 Ca 0.00 -0.41 -0.60 0.00 -0.87 0.00 0.00 66.00 64.12 1wf5 h PRO 118 Cb 0.00 0.11 0.15 0.00 0.13 0.00 0.00 31.00 31.39 1wf5 h PRO 118 CO 0.00 1.06 -0.92 0.43 -0.23 0.00 0.00 178.00 178.34 1wf5 n SER 119 N -4.26 -2.79 -4.59 1.44 7.64 -1.26 -4.67 113.62 105.14 1wf5 n SER 119 Ca -0.10 0.78 -0.42 0.00 1.01 0.00 0.00 58.87 60.15 1wf5 n SER 119 Cb 0.63 -0.85 -0.03 0.00 -1.01 0.00 0.00 64.21 62.95 1wf5 n SER 119 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wf5 s SER 120 N -0.96 5.37 0.00 6.43 0.01 -1.26 -5.09 113.70 118.20 1wf5 s SER 120 Ca 0.57 1.58 0.00 0.00 1.31 0.00 0.00 55.95 59.42 1wf5 s SER 120 Cb -0.61 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.10 1wf5 s SER 120 CO 0.61 -2.07 0.00 0.61 0.41 0.00 0.00 173.24 172.79