#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf5 s SER 2 N 0.00 -0.22 0.59 1.61 1.04 -1.26 -5.14 113.70 110.33 1wf5 s SER 2 Ca 0.00 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1wf5 s SER 2 Cb 0.00 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1wf5 s SER 2 CO 0.00 -1.22 0.00 -0.24 0.98 0.00 0.00 173.24 172.76 1wf5 n SER 3 N -0.41 -8.56 0.00 7.02 2.88 -1.26 -5.08 113.62 108.21 1wf5 n SER 3 Ca -0.05 1.82 0.00 0.00 -1.33 0.00 0.00 58.87 59.31 1wf5 n SER 3 Cb 0.61 -5.10 0.00 0.00 -0.75 0.00 0.00 64.21 58.96 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 -2.42 2.99 2.66 0.46 0.00 -1.26 -5.13 105.19 102.50 1wf5 n GLY 4 Ca 0.00 -1.83 -0.05 0.00 0.00 0.00 0.00 46.02 44.14 1wf5 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wf5 n SER 5 N 0.00 -1.77 -4.96 1.61 2.88 -1.26 -5.01 113.62 105.11 1wf5 n SER 5 Ca 0.00 1.32 -0.22 0.00 -1.33 0.00 0.00 58.87 58.64 1wf5 n SER 5 Cb 0.00 -4.95 0.03 0.00 -0.75 0.00 0.00 64.21 58.54 1wf5 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wf5 s SER 6 N -0.72 5.50 0.02 -3.46 0.01 -1.26 -5.12 113.70 108.67 1wf5 s SER 6 Ca -0.24 0.13 -0.17 0.00 1.31 0.00 0.00 55.95 56.98 1wf5 s SER 6 Cb 0.02 -1.16 0.03 0.00 0.21 0.00 0.00 66.02 65.12 1wf5 s SER 6 CO 0.73 -0.97 0.37 -0.83 0.41 0.00 0.00 173.24 172.95 1wf5 s GLY 7 N -4.34 -0.21 0.71 3.44 0.00 -1.26 -5.16 107.32 100.50 1wf5 s GLY 7 Ca 0.54 0.31 -0.13 0.00 0.00 0.00 0.00 44.72 45.44 1wf5 s GLY 7 CO 0.38 0.07 1.10 0.50 0.00 0.00 0.00 173.10 175.16 1wf5 s ARG 8 N -2.00 2.53 -0.44 2.90 0.52 -1.26 -5.03 118.95 116.17 1wf5 s ARG 8 Ca -0.09 1.30 0.05 0.00 -0.52 0.00 0.00 55.73 56.47 1wf5 s ARG 8 Cb -0.02 -1.92 0.17 0.00 0.52 0.00 0.00 34.95 33.70 1wf5 s ARG 8 CO 0.01 -1.45 0.46 0.45 0.02 0.00 0.00 175.30 174.79 1wf5 s SER 9 N -2.94 0.49 0.00 0.23 0.15 -1.26 -5.01 113.70 105.37 1wf5 s SER 9 Ca 0.64 -2.37 0.00 0.00 0.70 0.00 0.00 55.95 54.93 1wf5 s SER 9 Cb -0.19 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1wf5 s SER 9 CO 0.48 -0.15 0.00 0.00 1.20 0.00 0.00 173.24 174.77 1wf5 n ALA 10 N 3.16 0.00 0.00 5.45 0.00 -1.26 -4.78 120.51 123.08 1wf5 n ALA 10 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1wf5 n ALA 10 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1wf5 n ALA 10 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1wf5 n HIS 11 N 0.00 0.00 -3.08 0.00 -0.00 -1.26 -4.89 115.22 105.99 1wf5 n HIS 11 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 1wf5 n HIS 11 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 29.98 1wf5 n HIS 11 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1wf5 s LEU 12 N 0.00 3.88 -0.37 0.27 1.43 -1.26 -4.96 118.68 117.67 1wf5 s LEU 12 Ca 0.00 0.72 -0.44 0.00 -1.03 0.00 0.00 54.13 53.37 1wf5 s LEU 12 Cb 0.00 -3.60 -0.19 0.00 0.03 0.00 0.00 46.19 42.43 1wf5 s LEU 12 CO 0.00 -0.38 1.54 0.54 0.23 0.00 0.00 176.35 178.28 1wf5 n ARG 13 N -1.73 0.25 -3.83 1.70 3.00 -1.26 -4.90 116.66 109.88 1wf5 n ARG 13 Ca -0.02 0.09 -0.35 0.00 -0.01 0.00 0.00 57.85 57.56 1wf5 n ARG 13 Cb 0.55 -1.63 -0.08 0.00 0.00 0.00 0.00 32.46 31.30 1wf5 n ARG 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1wf5 s VAL 14 N 2.56 5.28 -0.81 1.55 0.11 -1.26 -4.99 120.40 122.86 1wf5 s VAL 14 Ca 1.01 0.14 -0.23 0.00 -2.93 0.00 0.00 61.98 59.97 1wf5 s VAL 14 Cb -1.37 -3.38 -0.16 0.00 -1.53 0.00 0.00 36.38 29.94 1wf5 s VAL 14 CO 0.74 0.49 1.90 0.54 -3.33 0.00 0.00 175.10 175.44 1wf5 n ARG 15 N 3.15 1.38 -3.49 1.54 1.74 -1.26 -4.39 116.66 115.33 1wf5 n ARG 15 Ca -0.17 -1.92 -0.37 0.00 -0.77 0.00 0.00 57.85 54.63 1wf5 n ARG 15 Cb 0.53 -3.09 -0.06 0.00 -1.02 0.00 0.00 32.46 28.82 1wf5 n ARG 15 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1wf5 s GLN 16 N 5.56 3.90 0.57 5.56 2.00 -1.26 -4.85 119.66 131.14 1wf5 s GLN 16 Ca 0.61 0.38 -0.20 0.00 -2.00 0.00 0.00 55.36 54.15 1wf5 s GLN 16 Cb 0.11 -3.12 -0.05 0.00 0.80 0.00 0.00 33.01 30.74 1wf5 s GLN 16 CO 0.14 0.63 1.17 1.28 -0.50 0.00 0.00 175.29 178.01 1wf5 n LEU 17 N 1.44 4.63 0.00 3.68 7.99 -1.26 -3.70 117.00 129.78 1wf5 n LEU 17 Ca -0.11 0.90 -0.28 0.00 -0.01 0.00 0.00 56.01 56.51 1wf5 n LEU 17 Cb 0.52 -1.48 0.21 0.00 -0.11 0.00 0.00 43.42 42.56 1wf5 n LEU 17 CO 0.39 -1.19 0.70 -0.81 -1.51 0.00 0.00 177.39 174.98 1wf5 n PRO 18 N -1.01 -2.10 -3.59 3.23 -0.04 -1.26 -4.26 135.00 125.96 1wf5 n PRO 18 Ca 0.12 -1.79 -0.33 0.00 -0.04 0.00 0.00 63.50 61.46 1wf5 n PRO 18 Cb 0.45 -1.41 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 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 -3.31 3.52 0.94 0.54 3.76 -0.95 -4.40 115.29 115.39 1wf5 s HIS 19 Ca 0.69 0.71 -0.11 0.00 -0.15 0.00 0.00 55.06 56.19 1wf5 s HIS 19 Cb -0.04 -2.11 0.16 0.00 1.11 0.00 0.00 32.58 31.70 1wf5 s HIS 19 CO 0.50 0.45 1.10 0.00 -0.85 0.00 0.00 174.74 175.95 1wf5 s ALA 20 N -1.56 1.18 0.07 -1.40 0.00 -1.26 -4.50 121.76 114.29 1wf5 s ALA 20 Ca 0.38 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 1wf5 s ALA 20 Cb -0.13 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 1wf5 s ALA 20 CO 0.21 -2.77 1.16 -1.25 0.00 0.00 0.00 175.76 173.11 1wf5 s PRO 21 N -4.70 4.46 0.64 0.00 0.04 -1.26 -4.53 135.00 129.66 1wf5 s PRO 21 Ca 0.66 1.72 0.05 0.00 0.04 0.00 0.00 61.00 63.46 1wf5 s PRO 21 Cb -0.21 -3.35 0.11 0.00 0.04 0.00 0.00 34.50 31.08 1wf5 s PRO 21 CO 0.59 -0.20 0.88 -1.21 0.04 0.00 0.00 177.00 177.11 1wf5 s GLU 22 N 0.90 2.01 -1.47 4.56 2.02 -1.24 -4.51 118.70 120.97 1wf5 s GLU 22 Ca 0.57 -1.39 -0.07 0.00 0.02 0.00 0.00 54.97 54.09 1wf5 s GLU 22 Cb -0.28 -2.50 0.01 0.00 0.10 0.00 0.00 34.13 31.46 1wf5 s GLU 22 CO 0.30 -1.13 0.14 1.58 0.02 0.00 0.00 175.26 176.17 1wf5 n HIS 23 N -2.52 -1.27 -2.33 1.61 -0.00 -1.26 0.50 115.22 109.95 1wf5 n HIS 23 Ca 0.15 0.49 -0.35 0.00 0.46 0.00 0.00 57.72 58.47 1wf5 n HIS 23 Cb 0.61 -2.78 -0.03 0.00 -0.12 0.00 0.00 29.99 27.67 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 -7.40 3.21 -0.21 1.57 0.04 -1.26 -3.81 135.00 127.14 1wf5 s PRO 24 Ca 0.10 -1.37 -0.14 0.00 0.04 0.00 0.00 61.00 59.63 1wf5 s PRO 24 Cb -0.06 -5.35 -0.04 0.00 0.04 0.00 0.00 34.50 29.09 1wf5 s PRO 24 CO 0.99 -3.02 0.33 0.08 0.04 0.00 0.00 177.00 175.42 1wf5 s VAL 25 N 7.53 5.25 -0.26 -0.36 1.01 0.27 -4.50 120.40 129.34 1wf5 s VAL 25 Ca 0.60 0.56 0.01 0.00 0.00 0.00 0.00 61.98 63.15 1wf5 s VAL 25 Cb 0.00 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.79 1wf5 s VAL 25 CO 0.06 0.29 -0.01 0.00 0.00 0.00 0.00 175.10 175.44 1wf5 s ALA 26 N 1.15 2.01 0.12 5.51 0.00 -1.26 -0.06 121.76 129.23 1wf5 s ALA 26 Ca 0.16 -1.56 0.07 0.00 0.00 0.00 0.00 51.96 50.63 1wf5 s ALA 26 Cb -0.14 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 1wf5 s ALA 26 CO 0.07 -1.34 -0.18 0.95 0.00 0.00 0.00 175.76 175.26 1wf5 s THR 27 N 1.37 1.59 1.05 0.00 -4.23 -0.75 -4.77 115.64 109.91 1wf5 s THR 27 Ca -0.01 -1.67 -0.23 0.00 -1.18 0.00 0.00 61.69 58.60 1wf5 s THR 27 Cb -0.19 -1.59 -0.07 0.00 1.34 0.00 0.00 72.50 72.00 1wf5 s THR 27 CO -0.09 -0.24 -0.84 0.18 -0.54 0.00 0.00 174.62 173.08 1wf5 n LEU 28 N 0.73 -2.82 -0.03 4.79 4.77 -1.26 0.21 117.00 123.39 1wf5 n LEU 28 Ca -0.17 -0.03 -0.02 0.00 -0.03 0.00 0.00 56.01 55.76 1wf5 n LEU 28 Cb 0.55 -0.72 -0.13 0.00 -2.33 0.00 0.00 43.42 40.79 1wf5 n LEU 28 CO 0.25 -2.96 -0.74 -0.24 -1.33 0.00 0.00 177.39 172.37 1wf5 n SER 29 N 1.29 0.36 -1.53 -1.43 2.88 -0.54 -3.44 113.62 111.21 1wf5 n SER 29 Ca -0.01 0.16 -0.09 0.00 -1.33 0.00 0.00 58.87 57.61 1wf5 n SER 29 Cb 0.69 0.82 -0.03 0.00 -0.75 0.00 0.00 64.21 64.94 1wf5 n SER 29 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1wf5 n THR 30 N -2.73 -0.10 0.08 2.46 -2.24 -1.26 -4.43 114.28 106.07 1wf5 n THR 30 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1wf5 n THR 30 Cb 0.93 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 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 -1.94 0.00 -3.43 2.28 0.24 -1.26 -5.07 118.33 109.15 1wf5 n VAL 31 Ca -0.09 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.83 1wf5 n VAL 31 Cb 0.36 -0.49 -0.08 0.00 -1.47 0.00 0.00 33.84 32.16 1wf5 n VAL 31 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1wf5 s GLU 32 N -2.00 4.18 0.09 7.34 -6.30 -1.26 -5.02 118.70 115.72 1wf5 s GLU 32 Ca 0.00 0.15 -0.34 0.00 -2.50 0.00 0.00 54.97 52.28 1wf5 s GLU 32 Cb 0.00 -3.52 -0.13 0.00 0.00 0.00 0.00 34.13 30.48 1wf5 s GLU 32 CO 0.00 0.01 1.68 0.54 0.02 0.00 0.00 175.26 177.50 1wf5 n ARG 33 N 4.34 2.18 -3.51 4.30 5.12 -1.26 -1.94 116.66 125.89 1wf5 n ARG 33 Ca -0.09 0.79 -0.21 0.00 -1.93 0.00 0.00 57.85 56.41 1wf5 n ARG 33 Cb 0.51 -2.59 0.06 0.00 -1.16 0.00 0.00 32.46 29.28 1wf5 n ARG 33 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1wf5 n ARG 34 N 4.44 -3.59 -3.94 5.56 5.12 -1.26 -4.52 116.66 118.48 1wf5 n ARG 34 Ca 0.19 0.70 -0.10 0.00 -1.93 0.00 0.00 57.85 56.71 1wf5 n ARG 34 Cb 0.29 -5.27 -0.11 0.00 -1.16 0.00 0.00 32.46 26.21 1wf5 n ARG 34 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wf5 s ALA 35 N -3.49 -0.01 0.01 7.54 0.00 -0.82 -1.77 121.76 123.22 1wf5 s ALA 35 Ca 0.24 -0.39 0.06 0.00 0.00 0.00 0.00 51.96 51.87 1wf5 s ALA 35 Cb -0.05 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 1wf5 s ALA 35 CO 0.79 -0.15 -0.18 0.42 0.00 0.00 0.00 175.76 176.63 1wf5 s ILE 36 N -1.24 1.45 -0.52 0.00 1.01 -0.90 -1.47 121.20 119.53 1wf5 s ILE 36 Ca -0.14 -0.95 -0.20 0.00 0.00 0.00 0.00 60.65 59.37 1wf5 s ILE 36 Cb -0.08 -1.24 0.06 0.00 0.01 0.00 0.00 42.46 41.20 1wf5 s ILE 36 CO -0.00 0.27 0.69 0.21 0.00 0.00 0.00 174.94 176.11 1wf5 s ASN 37 N -0.79 6.24 -0.13 3.58 3.84 0.58 -1.12 114.94 127.14 1wf5 s ASN 37 Ca 0.06 -0.83 -0.19 0.00 0.21 0.00 0.00 52.86 52.11 1wf5 s ASN 37 Cb -0.08 -2.32 -0.04 0.00 -0.55 0.00 0.00 41.25 38.27 1wf5 s ASN 37 CO 0.00 -0.97 0.54 -0.22 -2.79 0.00 0.00 177.10 173.67 1wf5 s LEU 38 N 2.89 4.24 -0.02 3.21 1.98 0.48 -1.80 118.68 129.67 1wf5 s LEU 38 Ca 0.18 0.85 0.00 0.00 -2.89 0.00 0.00 54.13 52.27 1wf5 s LEU 38 Cb -0.18 -2.78 0.02 0.00 0.66 0.00 0.00 46.19 43.91 1wf5 s LEU 38 CO 0.13 -0.08 0.01 0.42 -1.89 0.00 0.00 176.35 174.94 1wf5 s THR 39 N 0.98 0.06 0.18 3.68 -4.23 0.92 0.83 115.64 118.05 1wf5 s THR 39 Ca 0.28 0.12 0.04 0.00 -1.18 0.00 0.00 61.69 60.95 1wf5 s THR 39 Cb -0.16 -0.15 -0.02 0.00 1.34 0.00 0.00 72.50 73.51 1wf5 s THR 39 CO 0.11 0.10 0.16 -2.67 -0.54 0.00 0.00 174.62 171.78 1wf5 n TRP 40 N 3.97 -0.45 -4.19 3.99 2.14 0.20 0.96 117.44 124.06 1wf5 n TRP 40 Ca -0.25 -1.52 -0.26 0.00 2.07 0.00 0.00 57.50 57.54 1wf5 n TRP 40 Cb 0.52 0.16 -0.07 0.00 -0.81 0.00 0.00 31.31 31.11 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 -2.73 3.90 -0.41 -1.67 2.01 0.18 -4.72 115.64 112.20 1wf5 s THR 41 Ca 0.22 -1.42 -0.29 0.00 0.31 0.00 0.00 61.69 60.51 1wf5 s THR 41 Cb 0.01 -3.00 0.02 0.00 0.01 0.00 0.00 72.50 69.55 1wf5 s THR 41 CO 0.15 -0.17 1.09 -0.75 -0.69 0.00 0.00 174.62 174.26 1wf5 s LYS 42 N -3.16 3.86 1.04 4.92 2.36 -1.26 -3.61 119.74 123.89 1wf5 s LYS 42 Ca 0.29 0.74 -0.16 0.00 -2.55 0.00 0.00 55.97 54.29 1wf5 s LYS 42 Cb -0.09 -3.84 0.22 0.00 -1.05 0.00 0.00 37.83 33.07 1wf5 s LYS 42 CO 0.20 -1.16 1.20 -1.25 1.55 0.00 0.00 175.35 175.89 1wf5 s PRO 43 N 4.06 0.06 0.54 4.03 0.04 -1.26 -4.95 135.00 137.51 1wf5 s PRO 43 Ca 0.46 -0.12 -0.09 0.00 0.04 0.00 0.00 61.00 61.29 1wf5 s PRO 43 Cb -0.09 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1wf5 s PRO 43 CO 0.24 -2.85 0.91 0.12 0.04 0.00 0.00 177.00 175.46 1wf5 s PHE 44 N -3.42 3.57 -0.23 0.56 5.36 -1.26 -4.87 117.98 117.69 1wf5 s PHE 44 Ca 0.70 1.11 -0.09 0.00 -0.96 0.00 0.00 56.93 57.69 1wf5 s PHE 44 Cb -0.09 -2.54 -0.04 0.00 -0.34 0.00 0.00 43.02 40.01 1wf5 s PHE 44 CO 0.54 -0.45 0.11 0.16 -1.46 0.00 0.00 175.22 174.12 1wf5 s ASP 45 N -3.95 5.71 0.50 6.13 -4.77 -1.26 -2.25 116.67 116.78 1wf5 s ASP 45 Ca 0.52 0.01 0.22 0.00 -3.30 0.00 0.00 52.55 50.01 1wf5 s ASP 45 Cb -0.11 -2.02 1.30 0.00 -1.09 0.00 0.00 42.92 41.01 1wf5 s ASP 45 CO 0.46 0.07 1.98 1.23 0.70 0.00 0.00 175.17 179.61 1wf5 h GLY 46 N 7.50 0.18 0.00 2.12 0.00 -1.74 -3.43 103.07 107.70 1wf5 h GLY 46 Ca -0.37 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1wf5 h GLY 46 CO 0.64 0.02 0.00 0.70 0.00 0.00 0.00 176.54 177.90 1wf5 n ASN 47 N -4.41 0.00 -4.93 0.19 3.02 -1.26 -4.46 115.26 103.42 1wf5 n ASN 47 Ca 0.10 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.38 1wf5 n ASN 47 Cb 0.56 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.70 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 0.00 6.38 0.18 6.41 0.15 -1.26 -5.05 113.70 120.51 1wf5 s SER 48 Ca 0.00 0.40 -0.30 0.00 0.70 0.00 0.00 55.95 56.75 1wf5 s SER 48 Cb 0.00 -2.01 -0.08 0.00 -1.71 0.00 0.00 66.02 62.22 1wf5 s SER 48 CO 0.00 -0.06 1.12 -2.16 1.20 0.00 0.00 173.24 173.34 1wf5 s PRO 49 N -3.41 4.57 0.28 5.44 0.04 -1.26 -4.79 135.00 135.87 1wf5 s PRO 49 Ca 0.39 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 62.89 1wf5 s PRO 49 Cb -0.11 -3.27 -0.14 0.00 0.04 0.00 0.00 34.50 31.02 1wf5 s PRO 49 CO 0.29 0.04 1.01 1.28 0.04 0.00 0.00 177.00 179.67 1wf5 n LEU 50 N 2.39 1.70 -0.09 -3.56 4.77 -1.26 -4.11 117.00 116.84 1wf5 n LEU 50 Ca 0.03 1.17 -0.16 0.00 -0.03 0.00 0.00 56.01 57.02 1wf5 n LEU 50 Cb 0.46 -1.27 -0.05 0.00 -2.33 0.00 0.00 43.42 40.22 1wf5 n LEU 50 CO 0.54 -1.43 -0.94 -0.38 -1.33 0.00 0.00 177.39 173.86 1wf5 n ILE 51 N 0.35 1.28 -3.70 -0.08 5.41 0.38 -4.80 119.36 118.20 1wf5 n ILE 51 Ca 0.10 -0.09 -0.06 0.00 1.00 0.00 0.00 62.75 63.70 1wf5 n ILE 51 Cb 0.31 -1.95 0.02 0.00 -0.71 0.00 0.00 39.64 37.31 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 -4.07 0.83 -4.10 0.38 1.85 0.95 -4.11 116.66 108.39 1wf5 n ARG 52 Ca -0.29 -1.68 -0.15 0.00 -1.00 0.00 0.00 57.85 54.73 1wf5 n ARG 52 Cb 0.63 2.14 -0.14 0.00 -1.05 0.00 0.00 32.46 34.04 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 -3.16 0.44 -0.52 2.89 1.51 -1.12 0.19 117.35 117.59 1wf5 s TYR 53 Ca 0.15 -0.17 -0.11 0.00 -1.01 0.00 0.00 57.07 55.93 1wf5 s TYR 53 Cb -0.04 -0.28 0.13 0.00 -0.11 0.00 0.00 41.96 41.67 1wf5 s TYR 53 CO 0.08 -0.03 0.42 0.42 -1.11 0.00 0.00 175.55 175.34 1wf5 s ILE 54 N -0.38 4.53 -0.50 2.71 1.01 -1.19 -3.42 121.20 123.95 1wf5 s ILE 54 Ca -0.01 -1.84 -0.23 0.00 0.00 0.00 0.00 60.65 58.56 1wf5 s ILE 54 Cb -0.04 -3.94 0.04 0.00 0.01 0.00 0.00 42.46 38.53 1wf5 s ILE 54 CO -0.00 -0.82 0.86 -0.22 0.00 0.00 0.00 174.94 174.75 1wf5 s LEU 55 N 1.24 4.22 -0.24 2.97 1.98 -0.72 -2.74 118.68 125.39 1wf5 s LEU 55 Ca 0.07 -0.26 -0.09 0.00 -2.89 0.00 0.00 54.13 50.95 1wf5 s LEU 55 Cb -0.25 -2.89 -0.04 0.00 0.66 0.00 0.00 46.19 43.67 1wf5 s LEU 55 CO -0.01 -1.07 0.13 -1.61 -1.89 0.00 0.00 176.35 171.90 1wf5 s GLU 56 N 3.59 3.90 -0.00 1.98 2.02 -0.56 -2.00 118.70 127.62 1wf5 s GLU 56 Ca 0.30 -0.36 -0.02 0.00 0.02 0.00 0.00 54.97 54.91 1wf5 s GLU 56 Cb -0.13 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.61 1wf5 s GLU 56 CO 0.21 -0.04 0.16 1.41 0.02 0.00 0.00 175.26 177.02 1wf5 s MET 57 N 1.30 3.36 -0.27 1.61 -2.45 -0.85 -2.18 119.30 119.81 1wf5 s MET 57 Ca 0.06 -0.36 0.02 0.00 -1.25 0.00 0.00 55.69 54.16 1wf5 s MET 57 Cb -0.14 -3.05 0.07 0.00 1.25 0.00 0.00 34.83 32.96 1wf5 s MET 57 CO 0.05 0.67 -0.03 0.45 1.05 0.00 0.00 175.02 177.21 1wf5 s SER 58 N -1.94 4.18 0.79 1.11 0.15 0.15 -0.55 113.70 117.59 1wf5 s SER 58 Ca 0.27 -1.47 0.00 0.00 0.70 0.00 0.00 55.95 55.45 1wf5 s SER 58 Cb -0.13 -1.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.87 1wf5 s SER 58 CO 0.18 -0.27 0.00 1.21 1.20 0.00 0.00 173.24 175.56 1wf5 n GLU 59 N 4.55 -0.60 -1.53 5.44 2.13 -1.26 -1.29 120.64 128.09 1wf5 n GLU 59 Ca -0.08 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.36 1wf5 n GLU 59 Cb 0.43 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.07 1wf5 n GLU 59 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1wf5 n ASN 60 N -2.36 1.75 -1.74 4.31 3.02 -1.20 -0.27 115.26 118.77 1wf5 n ASN 60 Ca 0.00 -0.29 -0.17 0.00 -0.03 0.00 0.00 54.58 54.09 1wf5 n ASN 60 Cb 0.00 -1.39 -0.05 0.00 -0.61 0.00 0.00 39.78 37.72 1wf5 n ASN 60 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wf5 n ASN 61 N 14.24 -4.60 -4.85 6.41 3.02 -1.26 -4.93 115.26 123.29 1wf5 n ASN 61 Ca 0.45 0.33 -0.33 0.00 -0.03 0.00 0.00 54.58 55.00 1wf5 n ASN 61 Cb 0.39 -4.07 -0.06 0.00 -0.61 0.00 0.00 39.78 35.43 1wf5 n ASN 61 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wf5 s ALA 62 N -2.55 3.40 0.41 5.41 0.00 0.63 -5.05 121.76 124.01 1wf5 s ALA 62 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 51.96 51.71 1wf5 s ALA 62 Cb 0.00 -2.70 -0.09 0.00 0.00 0.00 0.00 23.12 20.33 1wf5 s ALA 62 CO 0.00 0.37 1.05 -1.25 0.00 0.00 0.00 175.76 175.94 1wf5 s PRO 63 N -2.73 4.13 -0.41 0.00 0.04 -1.26 -3.98 135.00 130.79 1wf5 s PRO 63 Ca 0.50 1.51 -0.42 0.00 0.04 0.00 0.00 61.00 62.64 1wf5 s PRO 63 Cb -0.12 -2.51 -0.17 0.00 0.04 0.00 0.00 34.50 31.75 1wf5 s PRO 63 CO 0.19 -0.17 1.94 0.91 0.04 0.00 0.00 177.00 179.91 1wf5 n TRP 64 N -0.14 1.60 -3.94 0.56 7.02 -1.26 -4.69 117.44 116.59 1wf5 n TRP 64 Ca 0.05 0.68 -0.35 0.00 -1.02 0.00 0.00 57.50 56.87 1wf5 n TRP 64 Cb 0.50 -2.37 -0.14 0.00 -2.42 0.00 0.00 31.31 26.87 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 5.07 2.96 -0.57 -0.99 -1.32 0.28 -4.91 115.64 116.16 1wf5 s THR 65 Ca 1.09 -1.10 -0.28 0.00 -1.21 0.00 0.00 61.69 60.20 1wf5 s THR 65 Cb -1.26 -2.56 -0.10 0.00 -1.51 0.00 0.00 72.50 67.08 1wf5 s THR 65 CO 0.66 0.11 2.46 0.52 -2.21 0.00 0.00 174.62 176.16 1wf5 n VAL 66 N 4.67 -0.04 -0.04 5.08 0.31 -1.26 -2.00 118.33 125.04 1wf5 n VAL 66 Ca -0.15 -0.61 -0.01 0.00 -0.01 0.00 0.00 64.34 63.56 1wf5 n VAL 66 Cb 0.46 -2.29 -0.00 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 17.62 0.00 -8.18 7.52 3.38 -1.75 -3.44 115.31 130.45 1wf5 h LEU 67 Ca -0.21 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.06 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 0.43 -0.60 -0.76 0.09 0.00 0.00 178.44 178.79 1wf5 s LEU 68 N -7.44 4.34 -0.13 1.67 1.43 -1.08 -4.95 118.68 112.53 1wf5 s LEU 68 Ca -0.03 -1.17 -0.21 0.00 -1.03 0.00 0.00 54.13 51.69 1wf5 s LEU 68 Cb 0.00 -1.87 -0.25 0.00 0.03 0.00 0.00 46.19 44.11 1wf5 s LEU 68 CO 0.04 -0.33 0.54 0.00 0.23 0.00 0.00 176.35 176.84 1wf5 h ALA 69 N 8.21 0.14 -2.00 4.21 0.00 -1.86 -1.91 119.26 126.05 1wf5 h ALA 69 Ca -0.23 -0.95 -0.72 0.00 0.00 0.00 0.00 54.91 53.01 1wf5 h ALA 69 Cb 1.08 0.40 -0.21 0.00 0.00 0.00 0.00 17.79 19.06 1wf5 h ALA 69 CO 0.61 0.56 -0.02 0.45 0.00 0.00 0.00 179.25 180.84 1wf5 s SER 70 N -6.79 6.19 0.06 0.00 0.15 -1.26 -4.39 113.70 107.65 1wf5 s SER 70 Ca -0.21 -1.50 0.08 0.00 0.70 0.00 0.00 55.95 55.01 1wf5 s SER 70 Cb 0.03 -2.26 -0.03 0.00 -1.71 0.00 0.00 66.02 62.04 1wf5 s SER 70 CO 0.71 -0.99 -0.23 -0.69 1.20 0.00 0.00 173.24 173.24 1wf5 s VAL 71 N 2.27 1.87 0.26 4.45 1.01 -1.22 -4.95 120.40 124.09 1wf5 s VAL 71 Ca 0.09 -1.34 -0.29 0.00 0.00 0.00 0.00 61.98 60.43 1wf5 s VAL 71 Cb -0.26 -1.62 -0.09 0.00 0.00 0.00 0.00 36.38 34.40 1wf5 s VAL 71 CO 0.06 0.22 1.25 -1.81 0.00 0.00 0.00 175.10 174.82 1wf5 s ASP 72 N -1.33 6.95 0.27 3.32 1.11 -1.26 -2.78 116.67 122.95 1wf5 s ASP 72 Ca 0.09 2.46 0.12 0.00 0.18 0.00 0.00 52.55 55.41 1wf5 s ASP 72 Cb -0.09 -2.63 0.28 0.00 1.07 0.00 0.00 42.92 41.55 1wf5 s ASP 72 CO 0.02 -0.43 1.55 1.55 1.18 0.00 0.00 175.17 179.04 1wf5 h PRO 73 N 4.30 0.00 0.00 8.23 0.13 -1.87 -2.91 132.00 139.87 1wf5 h PRO 73 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.62 1wf5 h PRO 73 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1wf5 h PRO 73 CO 0.70 0.63 -0.22 0.87 -0.23 0.00 0.00 178.00 179.75 1wf5 h LYS 74 N 0.00 0.00 -6.30 0.86 1.79 -1.92 -3.44 116.57 107.56 1wf5 h LYS 74 Ca -0.01 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.91 1wf5 h LYS 74 Cb 1.23 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.85 1wf5 h LYS 74 CO 0.08 0.22 0.57 0.00 -1.08 0.00 0.00 179.45 179.24 1wf5 s ALA 75 N -3.17 3.39 -1.50 3.86 0.00 -1.10 -4.89 121.76 118.34 1wf5 s ALA 75 Ca 0.05 0.47 0.13 0.00 0.00 0.00 0.00 51.96 52.61 1wf5 s ALA 75 Cb 0.07 -3.44 0.17 0.00 0.00 0.00 0.00 23.12 19.91 1wf5 s ALA 75 CO 0.69 -0.58 1.01 0.25 0.00 0.00 0.00 175.76 177.13 1wf5 n THR 76 N 4.45 0.26 -3.90 0.00 -2.24 -1.26 -4.82 114.28 106.77 1wf5 n THR 76 Ca 0.09 -0.63 -0.10 0.00 -2.27 0.00 0.00 64.05 61.14 1wf5 n THR 76 Cb 0.48 1.08 -0.10 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 -1.07 0.10 0.05 3.42 1.04 -1.26 0.58 113.70 116.56 1wf5 s SER 77 Ca 0.18 -0.38 -0.08 0.00 0.48 0.00 0.00 55.95 56.15 1wf5 s SER 77 Cb 0.12 0.22 -0.00 0.00 0.10 0.00 0.00 66.02 66.45 1wf5 s SER 77 CO 0.17 -0.44 0.17 0.54 0.98 0.00 0.00 173.24 174.65 1wf5 s VAL 78 N -2.02 0.12 -0.30 5.02 0.11 0.24 -4.96 120.40 118.61 1wf5 s VAL 78 Ca -0.10 -1.03 0.02 0.00 -2.93 0.00 0.00 61.98 57.94 1wf5 s VAL 78 Cb -0.04 -1.02 0.07 0.00 -1.53 0.00 0.00 36.38 33.86 1wf5 s VAL 78 CO -0.02 -0.57 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.28 1wf5 s THR 79 N -2.90 2.44 0.55 5.04 2.01 -1.26 0.18 115.64 121.71 1wf5 s THR 79 Ca -0.02 -1.82 -0.17 0.00 0.31 0.00 0.00 61.69 59.98 1wf5 s THR 79 Cb 0.01 -2.55 -0.06 0.00 0.01 0.00 0.00 72.50 69.91 1wf5 s THR 79 CO -0.06 -0.25 1.04 -0.69 -0.69 0.00 0.00 174.62 173.97 1wf5 s VAL 80 N 1.08 3.90 0.17 3.82 1.01 -0.28 -4.85 120.40 125.25 1wf5 s VAL 80 Ca -0.01 0.98 -0.05 0.00 0.00 0.00 0.00 61.98 62.89 1wf5 s VAL 80 Cb -0.20 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1wf5 s VAL 80 CO -0.05 -0.46 0.20 -0.54 0.00 0.00 0.00 175.10 174.25 1wf5 s LYS 81 N -3.84 1.13 -0.44 2.72 1.02 -1.26 -2.11 119.74 116.95 1wf5 s LYS 81 Ca 0.64 -1.36 -0.00 0.00 0.02 0.00 0.00 55.97 55.26 1wf5 s LYS 81 Cb -0.15 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 1wf5 s LYS 81 CO 0.31 -0.38 0.03 0.41 -0.92 0.00 0.00 175.35 174.80 1wf5 n GLY 82 N -0.20 0.19 3.94 -3.33 0.00 -0.91 -4.96 105.19 99.92 1wf5 n GLY 82 Ca -0.04 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 1wf5 n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wf5 s LEU 83 N -1.62 2.79 0.01 0.99 1.02 -0.73 -5.08 118.68 116.06 1wf5 s LEU 83 Ca 0.01 0.18 0.06 0.00 0.02 0.00 0.00 54.13 54.40 1wf5 s LEU 83 Cb -0.01 -2.47 -0.03 0.00 0.02 0.00 0.00 46.19 43.70 1wf5 s LEU 83 CO 0.02 -2.19 -0.17 -0.69 0.02 0.00 0.00 176.35 173.34 1wf5 s VAL 84 N -3.53 2.89 0.39 -1.59 1.01 -1.26 -4.78 120.40 113.53 1wf5 s VAL 84 Ca 0.68 -1.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.40 1wf5 s VAL 84 Cb -0.06 -2.18 -0.09 0.00 0.00 0.00 0.00 36.38 34.05 1wf5 s VAL 84 CO 0.49 0.43 1.06 -2.16 0.00 0.00 0.00 175.10 174.91 1wf5 s PRO 85 N -1.17 4.19 -1.24 2.72 0.04 -1.26 -3.63 135.00 134.65 1wf5 s PRO 85 Ca 0.14 1.54 -0.00 0.00 0.04 0.00 0.00 61.00 62.71 1wf5 s PRO 85 Cb -0.11 -2.59 -0.00 0.00 0.04 0.00 0.00 34.50 31.85 1wf5 s PRO 85 CO 0.04 -0.13 0.88 0.00 0.04 0.00 0.00 177.00 177.84 1wf5 n ALA 86 N 0.01 -2.02 -3.15 8.56 0.00 0.15 -4.73 120.51 119.33 1wf5 n ALA 86 Ca 0.05 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 1wf5 n ALA 86 Cb 0.49 -2.26 -0.11 0.00 0.00 0.00 0.00 19.45 17.56 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 -5.59 0.33 0.34 0.00 0.52 -1.23 -4.90 118.95 108.42 1wf5 s ARG 87 Ca 0.00 0.31 -0.25 0.00 -0.52 0.00 0.00 55.73 55.27 1wf5 s ARG 87 Cb -0.00 0.16 -0.10 0.00 0.52 0.00 0.00 34.95 35.52 1wf5 s ARG 87 CO 0.76 -0.05 0.95 -1.12 0.02 0.00 0.00 175.30 175.86 1wf5 s SER 88 N 0.02 7.28 -0.08 0.23 0.01 -1.26 -0.57 113.70 119.33 1wf5 s SER 88 Ca -0.01 1.81 -0.03 0.00 1.31 0.00 0.00 55.95 59.03 1wf5 s SER 88 Cb -0.02 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.68 1wf5 s SER 88 CO 0.01 -0.11 0.16 -0.31 0.41 0.00 0.00 173.24 173.40 1wf5 s TYR 89 N -1.71 -0.20 0.04 2.43 2.02 0.51 -3.25 117.35 117.19 1wf5 s TYR 89 Ca 0.52 0.56 0.04 0.00 -0.37 0.00 0.00 57.07 57.82 1wf5 s TYR 89 Cb -0.17 -0.09 -0.04 0.00 -0.40 0.00 0.00 41.96 41.26 1wf5 s TYR 89 CO 0.22 -0.20 -0.05 -0.65 -1.57 0.00 0.00 175.55 173.30 1wf5 s GLN 90 N 1.39 2.51 0.05 -0.62 -0.21 -0.41 -2.65 119.66 119.72 1wf5 s GLN 90 Ca -0.07 -0.78 0.06 0.00 0.02 0.00 0.00 55.36 54.58 1wf5 s GLN 90 Cb -0.12 -2.50 -0.02 0.00 1.00 0.00 0.00 33.01 31.37 1wf5 s GLN 90 CO -0.06 0.58 -0.16 -0.06 -2.12 0.00 0.00 175.29 173.47 1wf5 s PHE 91 N -1.11 1.36 -0.30 0.91 0.08 -1.26 -0.68 117.98 116.98 1wf5 s PHE 91 Ca 0.20 -0.38 -0.07 0.00 0.12 0.00 0.00 56.93 56.81 1wf5 s PHE 91 Cb -0.11 -0.80 0.19 0.00 -0.57 0.00 0.00 43.02 41.73 1wf5 s PHE 91 CO 0.11 0.06 0.87 -0.98 -0.10 0.00 0.00 175.22 175.18 1wf5 s ARG 92 N -1.29 0.32 0.19 0.44 1.70 -0.93 -2.54 118.95 116.85 1wf5 s ARG 92 Ca 0.02 0.46 0.07 0.00 -0.47 0.00 0.00 55.73 55.81 1wf5 s ARG 92 Cb -0.08 0.24 -0.04 0.00 -0.57 0.00 0.00 34.95 34.50 1wf5 s ARG 92 CO 0.02 -0.47 0.06 -0.48 -1.08 0.00 0.00 175.30 173.35 1wf5 s LEU 93 N 2.91 3.50 0.46 -1.89 2.34 -1.26 -1.49 118.68 123.24 1wf5 s LEU 93 Ca 0.13 -0.34 0.04 0.00 0.06 0.00 0.00 54.13 54.02 1wf5 s LEU 93 Cb -0.09 -2.11 -0.04 0.00 -0.56 0.00 0.00 46.19 43.39 1wf5 s LEU 93 CO -0.19 0.05 0.02 0.00 -1.06 0.00 0.00 176.35 175.17 1wf5 s ALA 95 N -2.86 3.30 -0.17 0.00 0.00 -1.24 -3.17 121.76 117.60 1wf5 s ALA 95 Ca 0.19 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 1wf5 s ALA 95 Cb 0.05 -2.28 -0.00 0.00 0.00 0.00 0.00 23.12 20.89 1wf5 s ALA 95 CO 0.10 -0.62 -0.12 0.08 0.00 0.00 0.00 175.76 175.20 1wf5 s VAL 96 N 1.66 2.91 0.22 0.00 1.01 0.13 -2.66 120.40 123.67 1wf5 s VAL 96 Ca 0.06 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1wf5 s VAL 96 Cb -0.16 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1wf5 s VAL 96 CO 0.06 0.49 0.07 -0.46 0.00 0.00 0.00 175.10 175.27 1wf5 n ASN 97 N 4.22 1.28 -0.12 3.32 6.94 0.22 -0.04 115.26 131.08 1wf5 n ASN 97 Ca -0.19 -2.16 -0.06 0.00 -0.02 0.00 0.00 54.58 52.15 1wf5 n ASN 97 Cb 0.51 0.51 -0.00 0.00 -2.36 0.00 0.00 39.78 38.44 1wf5 n ASN 97 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1wf5 h ASP 98 N 0.84 -0.90 -0.73 0.53 1.82 -1.91 0.48 116.42 116.57 1wf5 h ASP 98 Ca -0.18 0.18 0.14 0.00 -0.39 0.00 0.00 57.03 56.78 1wf5 h ASP 98 Cb 0.65 0.44 -0.14 0.00 0.68 0.00 0.00 39.33 40.97 1wf5 h ASP 98 CO 0.28 -0.28 -0.22 -0.37 -1.61 0.00 0.00 179.24 177.04 1wf5 h VAL 99 N -0.20 0.23 0.00 2.25 -1.51 -1.91 -3.47 116.25 111.64 1wf5 h VAL 99 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.66 1wf5 h VAL 99 Cb 0.50 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 29.89 1wf5 h VAL 99 CO -0.52 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.43 1wf5 n GLY 100 N -1.48 -0.45 3.11 5.19 0.00 0.16 -5.01 105.19 106.71 1wf5 n GLY 100 Ca 0.09 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.94 1.37 0.00 1.61 2.20 -1.26 0.70 119.74 123.43 1wf5 s LYS 101 Ca 0.00 -0.52 0.00 0.00 -0.36 0.00 0.00 55.97 55.09 1wf5 s LYS 101 Cb 0.00 -1.26 0.00 0.00 -1.51 0.00 0.00 37.83 35.06 1wf5 s LYS 101 CO 0.00 0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.66 1wf5 n GLY 102 N 2.97 0.54 3.60 5.54 0.00 -1.09 -4.91 105.19 111.84 1wf5 n GLY 102 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 1wf5 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wf5 s GLN 103 N 2.06 1.93 0.40 1.61 -2.07 -1.26 -4.96 119.66 117.37 1wf5 s GLN 103 Ca 0.00 -1.95 0.05 0.00 -1.82 0.00 0.00 55.36 51.63 1wf5 s GLN 103 Cb 0.00 -1.74 0.07 0.00 -1.09 0.00 0.00 33.01 30.25 1wf5 s GLN 103 CO 0.00 0.06 0.55 1.19 -1.32 0.00 0.00 175.29 175.78 1wf5 n PHE 104 N -0.90 -2.68 -3.84 9.60 3.01 -1.26 -3.70 117.46 117.69 1wf5 n PHE 104 Ca -0.05 -1.31 -0.31 0.00 1.01 0.00 0.00 57.45 56.79 1wf5 n PHE 104 Cb 0.64 -0.39 -0.04 0.00 -0.01 0.00 0.00 39.48 39.69 1wf5 n PHE 104 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1wf5 s SER 105 N -3.40 6.41 0.87 4.37 1.04 -0.80 -4.61 113.70 117.57 1wf5 s SER 105 Ca 0.40 0.39 -0.15 0.00 0.48 0.00 0.00 55.95 57.07 1wf5 s SER 105 Cb -0.03 -2.01 -0.02 0.00 0.10 0.00 0.00 66.02 64.06 1wf5 s SER 105 CO 0.26 0.14 0.27 0.29 0.98 0.00 0.00 173.24 175.18 1wf5 n LYS 106 N 0.30 -0.05 -1.72 4.02 4.76 -1.26 -4.63 118.16 119.57 1wf5 n LYS 106 Ca -0.05 0.02 -0.40 0.00 -2.87 0.00 0.00 58.31 55.02 1wf5 n LYS 106 Cb 0.51 -1.71 -0.03 0.00 -1.84 0.00 0.00 35.03 31.97 1wf5 n LYS 106 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1wf5 s ASP 107 N -1.67 5.14 0.42 4.39 1.47 -1.26 -4.73 116.67 120.44 1wf5 s ASP 107 Ca 0.57 1.28 -0.23 0.00 1.18 0.00 0.00 52.55 55.36 1wf5 s ASP 107 Cb -0.26 -2.51 -0.12 0.00 -0.34 0.00 0.00 42.92 39.69 1wf5 s ASP 107 CO 0.66 -2.30 0.66 0.35 0.68 0.00 0.00 175.17 175.22 1wf5 n THR 108 N 7.71 1.99 -1.42 2.11 -2.24 -1.05 -4.64 114.28 116.73 1wf5 n THR 108 Ca 0.30 -0.50 -0.55 0.00 -2.27 0.00 0.00 64.05 61.02 1wf5 n THR 108 Cb 0.50 -0.69 -0.08 0.00 -2.10 0.00 0.00 70.33 67.96 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 0.45 0.00 -1.29 -0.78 2.13 -1.26 -4.43 120.64 115.45 1wf5 n GLU 109 Ca 0.11 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.53 1wf5 n GLU 109 Cb 0.39 -1.24 -0.13 0.00 0.27 0.00 0.00 31.44 30.74 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 3.06 0.00 -3.29 5.31 0.63 -1.26 -4.84 116.66 116.27 1wf5 n ARG 110 Ca 0.25 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.79 1wf5 n ARG 110 Cb -0.04 -1.34 -0.06 0.00 0.45 0.00 0.00 32.46 31.47 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 7.44 5.05 -0.02 5.15 1.01 -1.08 -4.93 120.40 133.01 1wf5 s VAL 111 Ca 1.18 1.06 0.07 0.00 0.00 0.00 0.00 61.98 64.30 1wf5 s VAL 111 Cb -1.18 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 31.34 1wf5 s VAL 111 CO 0.47 0.40 -0.23 -0.55 0.00 0.00 0.00 175.10 175.20 1wf5 s SER 112 N 0.05 2.67 0.41 3.32 0.15 -1.26 0.19 113.70 119.23 1wf5 s SER 112 Ca 0.28 -0.42 -0.07 0.00 0.70 0.00 0.00 55.95 56.45 1wf5 s SER 112 Cb -0.17 -0.35 -0.05 0.00 -1.71 0.00 0.00 66.02 63.75 1wf5 s SER 112 CO 0.14 0.27 0.72 -0.22 1.20 0.00 0.00 173.24 175.35 1wf5 s LEU 113 N -0.48 3.80 0.48 3.45 2.96 0.27 -4.91 118.68 124.26 1wf5 s LEU 113 Ca 0.07 0.93 -0.20 0.00 -0.22 0.00 0.00 54.13 54.71 1wf5 s LEU 113 Cb -0.09 -3.83 -0.09 0.00 0.50 0.00 0.00 46.19 42.68 1wf5 s LEU 113 CO -0.00 -0.43 1.04 -2.16 -1.32 0.00 0.00 176.35 173.47 1wf5 s PRO 114 N -4.18 3.82 0.63 0.98 0.04 -1.26 -1.36 135.00 133.66 1wf5 s PRO 114 Ca 0.48 1.36 -0.16 0.00 0.04 0.00 0.00 61.00 62.71 1wf5 s PRO 114 Cb -0.10 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 1wf5 s PRO 114 CO 0.37 -0.42 1.12 -2.00 0.04 0.00 0.00 177.00 176.11 1wf5 s GLU 115 N -3.22 2.94 -0.38 4.56 2.12 -1.26 -0.68 118.70 122.78 1wf5 s GLU 115 Ca 0.67 1.46 0.04 0.00 0.36 0.00 0.00 54.97 57.51 1wf5 s GLU 115 Cb -0.16 -1.96 0.16 0.00 0.26 0.00 0.00 34.13 32.43 1wf5 s GLU 115 CO 0.20 -1.16 0.44 0.45 -0.54 0.00 0.00 175.26 174.66 1wf5 s SER 116 N -2.34 0.44 0.34 -1.70 0.15 -1.26 -4.81 113.70 104.53 1wf5 s SER 116 Ca 0.69 -1.39 0.00 0.00 0.70 0.00 0.00 55.95 55.95 1wf5 s SER 116 Cb -0.22 0.93 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 1wf5 s SER 116 CO 0.38 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1wf5 n GLY 117 N 4.26 -3.79 2.54 9.45 0.00 -1.26 -4.47 105.19 111.93 1wf5 n GLY 117 Ca 0.11 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.55 2.69 -1.29 1.61 -0.04 -1.26 -4.85 135.00 130.31 1wf5 n PRO 118 Ca 0.00 -1.83 0.16 0.00 -0.04 0.00 0.00 63.50 61.80 1wf5 n PRO 118 Cb 0.14 -2.66 -0.07 0.00 -0.04 0.00 0.00 33.50 30.87 1wf5 n PRO 118 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wf5 n SER 119 N 4.31 -7.51 -4.57 3.54 7.64 -1.26 -4.72 113.62 111.05 1wf5 n SER 119 Ca 0.58 1.06 -0.41 0.00 1.01 0.00 0.00 58.87 61.11 1wf5 n SER 119 Cb 0.20 -4.27 -0.08 0.00 -1.01 0.00 0.00 64.21 59.05 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 -6.98 6.30 0.00 6.43 0.01 -1.26 -5.18 113.70 113.01 1wf5 s SER 120 Ca 0.00 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1wf5 s SER 120 Cb 0.00 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1wf5 s SER 120 CO 0.00 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.87