#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 0.44 0.02 1.61 1.04 -1.26 -5.15 113.70 110.40 1wf5 s SER 2 Ca 0.00 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1wf5 s SER 2 Cb 0.00 -0.13 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 1wf5 s SER 2 CO 0.00 -0.01 -0.03 -0.55 0.98 0.00 0.00 173.24 173.63 1wf5 s SER 3 N 0.36 0.29 0.00 7.02 0.15 -1.26 -5.12 113.70 115.15 1wf5 s SER 3 Ca -0.04 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1wf5 s SER 3 Cb -0.07 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1wf5 s SER 3 CO -0.01 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1wf5 n GLY 4 N 2.03 0.74 0.00 9.45 0.00 -1.26 -5.10 105.19 111.06 1wf5 n GLY 4 Ca -0.20 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.64 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 0.00 -0.11 1.61 2.88 -1.26 -5.08 113.62 111.66 1wf5 n SER 5 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 1wf5 n SER 5 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1wf5 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wf5 n SER 6 N 0.00 1.94 -0.04 -3.46 7.64 -1.26 -5.13 113.62 113.31 1wf5 n SER 6 Ca 0.00 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1wf5 n SER 6 Cb 0.00 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 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 1.37 -2.86 3.41 0.23 0.00 -1.26 -5.09 105.19 100.99 1wf5 n GLY 7 Ca -0.34 -1.27 -0.15 0.00 0.00 0.00 0.00 46.02 44.26 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 -4.34 0.75 0.20 1.61 1.70 -1.26 -5.17 118.95 112.44 1wf5 s ARG 8 Ca 0.00 0.38 -0.23 0.00 -0.47 0.00 0.00 55.73 55.41 1wf5 s ARG 8 Cb 0.00 0.35 0.05 0.00 -0.57 0.00 0.00 34.95 34.78 1wf5 s ARG 8 CO 0.00 -0.17 0.70 0.45 -1.08 0.00 0.00 175.30 175.20 1wf5 s SER 9 N -0.51 -0.39 0.20 -2.89 0.15 -1.26 -5.14 113.70 103.85 1wf5 s SER 9 Ca -0.06 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1wf5 s SER 9 Cb -0.03 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1wf5 s SER 9 CO 0.04 -1.11 0.00 0.00 1.20 0.00 0.00 173.24 173.37 1wf5 n ALA 10 N -0.41 -3.03 -2.17 5.45 0.00 -1.26 -4.98 120.51 114.10 1wf5 n ALA 10 Ca -0.10 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1wf5 n ALA 10 Cb 0.62 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 -2.73 -4.97 -0.62 0.00 -0.00 -1.26 -4.96 115.22 100.67 1wf5 n HIS 11 Ca 0.00 2.98 0.00 0.00 -0.00 0.00 0.00 57.72 60.71 1wf5 n HIS 11 Cb 0.60 -3.77 0.00 0.00 -0.00 0.00 0.00 29.99 26.82 1wf5 n HIS 11 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1wf5 n LEU 12 N 1.89 -1.39 -4.70 0.27 0.00 -1.26 -4.86 117.00 106.96 1wf5 n LEU 12 Ca 0.00 1.19 -0.42 0.00 0.00 0.00 0.00 56.01 56.78 1wf5 n LEU 12 Cb 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 43.42 42.82 1wf5 n LEU 12 CO 0.00 0.12 0.91 -0.13 0.00 0.00 0.00 177.39 178.28 1wf5 s ARG 13 N -5.06 4.40 -0.05 1.96 3.00 -1.26 -5.03 118.95 116.92 1wf5 s ARG 13 Ca 0.00 1.68 0.05 0.00 0.00 0.00 0.00 55.73 57.46 1wf5 s ARG 13 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 34.95 31.44 1wf5 s ARG 13 CO 0.00 -0.35 -0.18 0.54 0.00 0.00 0.00 175.30 175.30 1wf5 s VAL 14 N 1.75 2.69 -0.92 3.52 0.11 -1.26 -5.02 120.40 121.26 1wf5 s VAL 14 Ca 0.56 -0.86 -0.24 0.00 -2.93 0.00 0.00 61.98 58.51 1wf5 s VAL 14 Cb -0.26 -2.02 -0.20 0.00 -1.53 0.00 0.00 36.38 32.38 1wf5 s VAL 14 CO 0.25 0.58 2.14 0.54 -3.33 0.00 0.00 175.10 175.28 1wf5 n ARG 15 N 2.47 0.23 -3.45 1.54 1.74 -1.26 -4.22 116.66 113.71 1wf5 n ARG 15 Ca -0.17 -1.26 -0.29 0.00 -0.77 0.00 0.00 57.85 55.36 1wf5 n ARG 15 Cb 0.52 -3.58 -0.04 0.00 -1.02 0.00 0.00 32.46 28.34 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 8.40 3.63 0.52 5.56 0.74 -1.26 -4.92 119.66 132.33 1wf5 s GLN 16 Ca 0.82 -0.03 -0.21 0.00 0.05 0.00 0.00 55.36 55.99 1wf5 s GLN 16 Cb -0.10 -2.71 -0.06 0.00 1.10 0.00 0.00 33.01 31.24 1wf5 s GLN 16 CO 0.16 0.29 1.14 -0.51 -0.55 0.00 0.00 175.29 175.82 1wf5 s LEU 17 N -3.29 3.83 0.00 3.68 1.43 -1.26 -3.53 118.68 119.54 1wf5 s LEU 17 Ca 0.43 2.22 -0.18 0.00 -1.03 0.00 0.00 54.13 55.56 1wf5 s LEU 17 Cb -0.11 -4.47 0.26 0.00 0.03 0.00 0.00 46.19 41.90 1wf5 s LEU 17 CO 0.28 -1.12 1.20 -0.81 0.23 0.00 0.00 176.35 176.13 1wf5 n PRO 18 N -1.04 -2.18 -4.21 1.29 -0.04 -1.26 -3.69 135.00 123.87 1wf5 n PRO 18 Ca 0.10 -1.88 -0.28 0.00 -0.04 0.00 0.00 63.50 61.40 1wf5 n PRO 18 Cb 0.50 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 32.39 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 -3.42 2.80 0.91 0.54 3.76 -1.07 -4.54 115.29 114.28 1wf5 s HIS 19 Ca 0.72 -0.14 -0.11 0.00 -0.15 0.00 0.00 55.06 55.39 1wf5 s HIS 19 Cb -0.04 -1.41 0.14 0.00 1.11 0.00 0.00 32.58 32.38 1wf5 s HIS 19 CO 0.53 0.47 1.11 0.00 -0.85 0.00 0.00 174.74 176.00 1wf5 s ALA 20 N -1.45 1.40 -0.16 -1.40 0.00 -1.26 -4.45 121.76 114.45 1wf5 s ALA 20 Ca 0.24 0.35 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 1wf5 s ALA 20 Cb -0.10 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 1wf5 s ALA 20 CO 0.16 -2.64 1.28 -1.25 0.00 0.00 0.00 175.76 173.31 1wf5 s PRO 21 N -4.72 4.23 0.76 0.00 0.04 -1.26 -4.56 135.00 129.50 1wf5 s PRO 21 Ca 0.65 1.68 -0.08 0.00 0.04 0.00 0.00 61.00 63.30 1wf5 s PRO 21 Cb -0.21 -3.77 0.10 0.00 0.04 0.00 0.00 34.50 30.66 1wf5 s PRO 21 CO 0.58 -0.70 1.08 -1.21 0.04 0.00 0.00 177.00 176.79 1wf5 s GLU 22 N 3.47 1.80 -1.42 4.56 2.02 -1.24 -4.28 118.70 123.61 1wf5 s GLU 22 Ca 0.55 -0.40 -0.08 0.00 0.02 0.00 0.00 54.97 55.07 1wf5 s GLU 22 Cb -0.22 -2.12 0.01 0.00 0.10 0.00 0.00 34.13 31.90 1wf5 s GLU 22 CO 0.15 -1.52 0.28 0.72 0.02 0.00 0.00 175.26 174.92 1wf5 n HIS 23 N -3.10 -1.42 -2.31 1.61 8.25 -1.26 0.72 115.22 117.71 1wf5 n HIS 23 Ca 0.10 0.53 -0.36 0.00 -0.26 0.00 0.00 57.72 57.74 1wf5 n HIS 23 Cb 0.60 -3.08 -0.04 0.00 1.12 0.00 0.00 29.99 28.60 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 -7.10 3.04 -0.06 -0.41 0.04 -1.26 -3.90 135.00 125.35 1wf5 s PRO 24 Ca 0.12 -0.45 -0.09 0.00 0.04 0.00 0.00 61.00 60.63 1wf5 s PRO 24 Cb -0.06 -4.94 -0.05 0.00 0.04 0.00 0.00 34.50 29.50 1wf5 s PRO 24 CO 0.96 -2.67 0.23 0.14 0.04 0.00 0.00 177.00 175.70 1wf5 s VAL 25 N 7.43 5.35 -0.24 -0.36 -7.23 0.16 -4.59 120.40 120.92 1wf5 s VAL 25 Ca 0.56 0.34 -0.04 0.00 -1.81 0.00 0.00 61.98 61.02 1wf5 s VAL 25 Cb -0.05 -3.51 0.08 0.00 0.56 0.00 0.00 36.38 33.46 1wf5 s VAL 25 CO 0.01 0.54 0.11 0.00 -0.31 0.00 0.00 175.10 175.46 1wf5 s ALA 26 N -1.11 0.59 0.13 1.32 0.00 -1.26 -1.00 121.76 120.43 1wf5 s ALA 26 Ca 0.20 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.42 1wf5 s ALA 26 Cb -0.13 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 1wf5 s ALA 26 CO 0.09 -1.45 -0.11 0.95 0.00 0.00 0.00 175.76 175.24 1wf5 s THR 27 N 2.09 1.20 1.19 0.00 -4.23 -0.88 -4.64 115.64 110.37 1wf5 s THR 27 Ca 0.06 -1.90 -0.17 0.00 -1.18 0.00 0.00 61.69 58.50 1wf5 s THR 27 Cb -0.16 -1.69 0.22 0.00 1.34 0.00 0.00 72.50 72.21 1wf5 s THR 27 CO -0.25 -0.62 0.50 0.18 -0.54 0.00 0.00 174.62 173.90 1wf5 n LEU 28 N 0.12 -1.87 0.14 4.79 4.77 -1.26 0.26 117.00 123.95 1wf5 n LEU 28 Ca -0.12 -0.29 0.12 0.00 -0.03 0.00 0.00 56.01 55.69 1wf5 n LEU 28 Cb 0.59 -1.04 0.08 0.00 -2.33 0.00 0.00 43.42 40.72 1wf5 n LEU 28 CO 0.30 -3.40 0.33 -1.28 -1.33 0.00 0.00 177.39 172.01 1wf5 h SER 29 N -2.60 0.00 -3.17 -1.43 0.87 -0.90 -3.29 113.55 103.03 1wf5 h SER 29 Ca -0.53 -0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 59.90 1wf5 h SER 29 Cb 1.29 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.23 1wf5 h SER 29 CO 0.39 0.01 -0.12 0.35 -0.53 0.00 0.00 176.83 176.92 1wf5 n THR 30 N -2.76 -0.14 0.04 2.23 -2.24 -1.26 -4.15 114.28 106.00 1wf5 n THR 30 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1wf5 n THR 30 Cb 0.53 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 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 -2.16 0.00 -3.54 2.28 3.14 -1.26 -5.09 118.33 111.69 1wf5 n VAL 31 Ca -0.06 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 60.95 1wf5 n VAL 31 Cb 0.37 -0.10 -0.09 0.00 -1.06 0.00 0.00 33.84 32.96 1wf5 n VAL 31 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1wf5 s GLU 32 N -2.00 4.09 0.33 1.45 -6.30 -1.26 -5.05 118.70 109.95 1wf5 s GLU 32 Ca 0.00 -0.09 -0.29 0.00 -2.50 0.00 0.00 54.97 52.09 1wf5 s GLU 32 Cb 0.00 -3.56 -0.11 0.00 0.00 0.00 0.00 34.13 30.46 1wf5 s GLU 32 CO 0.00 -0.03 1.52 1.03 0.02 0.00 0.00 175.26 177.80 1wf5 s ARG 33 N 1.32 4.14 -1.39 4.30 1.81 -1.26 -2.34 118.95 125.54 1wf5 s ARG 33 Ca 0.12 2.54 -0.05 0.00 -1.72 0.00 0.00 55.73 56.61 1wf5 s ARG 33 Cb -0.14 -3.01 0.03 0.00 -0.45 0.00 0.00 34.95 31.38 1wf5 s ARG 33 CO 0.07 -0.55 0.81 0.54 -0.68 0.00 0.00 175.30 175.49 1wf5 n ARG 34 N 1.36 -5.21 -3.87 3.54 5.12 -1.26 -4.75 116.66 111.59 1wf5 n ARG 34 Ca 0.04 0.62 -0.12 0.00 -1.93 0.00 0.00 57.85 56.46 1wf5 n ARG 34 Cb 0.39 -5.30 -0.14 0.00 -1.16 0.00 0.00 32.46 26.25 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 -3.54 -0.02 0.16 7.54 0.00 -0.99 -1.37 121.76 123.55 1wf5 s ALA 35 Ca 0.25 0.02 0.11 0.00 0.00 0.00 0.00 51.96 52.33 1wf5 s ALA 35 Cb -0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1wf5 s ALA 35 CO 0.82 -0.00 -0.24 0.42 0.00 0.00 0.00 175.76 176.75 1wf5 s ILE 36 N 0.01 2.21 -0.43 0.00 1.01 -0.45 -0.31 121.20 123.25 1wf5 s ILE 36 Ca -0.00 -1.90 -0.07 0.00 0.00 0.00 0.00 60.65 58.69 1wf5 s ILE 36 Cb -0.00 -2.01 0.10 0.00 0.01 0.00 0.00 42.46 40.56 1wf5 s ILE 36 CO -0.00 -0.07 0.26 0.20 0.00 0.00 0.00 174.94 175.33 1wf5 s ASN 37 N -2.42 5.50 -0.26 3.58 0.01 0.73 -1.95 114.94 120.13 1wf5 s ASN 37 Ca 0.17 -1.81 -0.13 0.00 -0.71 0.00 0.00 52.86 50.37 1wf5 s ASN 37 Cb -0.08 -1.93 -0.04 0.00 0.41 0.00 0.00 41.25 39.60 1wf5 s ASN 37 CO 0.08 -0.58 0.28 -0.22 -1.51 0.00 0.00 177.10 175.15 1wf5 s LEU 38 N 1.30 4.06 -0.02 0.60 1.98 0.10 -2.08 118.68 124.62 1wf5 s LEU 38 Ca 0.05 0.19 0.02 0.00 -2.89 0.00 0.00 54.13 51.50 1wf5 s LEU 38 Cb -0.24 -2.28 0.01 0.00 0.66 0.00 0.00 46.19 44.33 1wf5 s LEU 38 CO -0.01 -0.09 -0.07 0.42 -1.89 0.00 0.00 176.35 174.71 1wf5 s THR 39 N 1.71 0.63 0.16 3.68 -4.23 -0.17 0.15 115.64 117.56 1wf5 s THR 39 Ca 0.12 -0.27 0.02 0.00 -1.18 0.00 0.00 61.69 60.38 1wf5 s THR 39 Cb -0.15 -0.57 -0.01 0.00 1.34 0.00 0.00 72.50 73.10 1wf5 s THR 39 CO 0.09 0.21 0.08 -2.67 -0.54 0.00 0.00 174.62 171.79 1wf5 n TRP 40 N 3.36 -0.10 -4.15 3.99 2.14 0.21 0.37 117.44 123.27 1wf5 n TRP 40 Ca -0.18 -1.12 -0.25 0.00 2.07 0.00 0.00 57.50 58.02 1wf5 n TRP 40 Cb 0.54 0.05 -0.06 0.00 -0.81 0.00 0.00 31.31 31.03 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 -2.33 4.15 -0.40 -1.67 2.01 0.22 -4.74 115.64 112.88 1wf5 s THR 41 Ca 0.12 -1.35 -0.29 0.00 0.31 0.00 0.00 61.69 60.48 1wf5 s THR 41 Cb 0.01 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.38 1wf5 s THR 41 CO 0.08 -0.20 1.22 -0.75 -0.69 0.00 0.00 174.62 174.28 1wf5 s LYS 42 N -3.31 3.79 1.04 4.92 2.36 -1.26 -3.64 119.74 123.63 1wf5 s LYS 42 Ca 0.31 0.86 -0.16 0.00 -2.55 0.00 0.00 55.97 54.42 1wf5 s LYS 42 Cb -0.09 -3.90 0.22 0.00 -1.05 0.00 0.00 37.83 33.01 1wf5 s LYS 42 CO 0.22 -1.29 1.20 -1.25 1.55 0.00 0.00 175.35 175.77 1wf5 s PRO 43 N 4.37 0.09 -0.18 4.03 0.04 -1.26 -4.96 135.00 137.13 1wf5 s PRO 43 Ca 0.52 -0.10 -0.21 0.00 0.04 0.00 0.00 61.00 61.25 1wf5 s PRO 43 Cb -0.11 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 1wf5 s PRO 43 CO 0.28 -2.83 0.63 0.12 0.04 0.00 0.00 177.00 175.23 1wf5 s PHE 44 N -3.40 3.41 -0.20 0.56 2.19 -1.26 -4.89 117.98 114.38 1wf5 s PHE 44 Ca 0.70 0.97 -0.27 0.00 0.33 0.00 0.00 56.93 58.66 1wf5 s PHE 44 Cb -0.09 -2.79 -0.00 0.00 -1.31 0.00 0.00 43.02 38.83 1wf5 s PHE 44 CO 0.54 -0.12 0.92 0.16 1.83 0.00 0.00 175.22 178.54 1wf5 s ASP 45 N 1.11 7.00 0.09 6.13 -4.77 -1.26 -2.59 116.67 122.38 1wf5 s ASP 45 Ca 0.30 1.24 -0.17 0.00 -3.30 0.00 0.00 52.55 50.61 1wf5 s ASP 45 Cb -0.16 -2.49 -0.04 0.00 -1.09 0.00 0.00 42.92 39.14 1wf5 s ASP 45 CO 0.11 -0.52 1.16 0.61 0.70 0.00 0.00 175.17 177.23 1wf5 n GLY 46 N 3.46 -2.38 1.21 2.12 0.00 -1.23 -4.41 105.19 103.95 1wf5 n GLY 46 Ca 0.08 0.84 -0.01 0.00 0.00 0.00 0.00 46.02 46.92 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 -4.30 -0.37 -3.64 1.61 3.02 -1.25 -4.54 115.26 105.79 1wf5 n ASN 47 Ca 0.01 -0.96 -0.13 0.00 -0.03 0.00 0.00 54.58 53.46 1wf5 n ASN 47 Cb 0.15 0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 39.40 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 -0.32 -0.35 -0.01 6.41 0.15 -1.26 -4.77 113.70 113.55 1wf5 s SER 48 Ca 0.01 0.10 -0.30 0.00 0.70 0.00 0.00 55.95 56.46 1wf5 s SER 48 Cb 0.06 0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 64.78 1wf5 s SER 48 CO -0.02 -0.66 1.20 -2.16 1.20 0.00 0.00 173.24 172.80 1wf5 s PRO 49 N -2.30 4.38 0.72 5.44 0.04 -1.26 -4.80 135.00 137.23 1wf5 s PRO 49 Ca -0.06 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.51 1wf5 s PRO 49 Cb -0.01 -3.49 -0.11 0.00 0.04 0.00 0.00 34.50 30.93 1wf5 s PRO 49 CO -0.01 -0.37 -0.12 1.28 0.04 0.00 0.00 177.00 177.82 1wf5 n LEU 50 N 4.73 -2.94 -0.00 -3.56 4.77 -1.26 -4.35 117.00 114.39 1wf5 n LEU 50 Ca 0.10 0.49 -0.04 0.00 -0.03 0.00 0.00 56.01 56.53 1wf5 n LEU 50 Cb 0.46 -0.94 -0.01 0.00 -2.33 0.00 0.00 43.42 40.60 1wf5 n LEU 50 CO 0.55 -4.63 -0.31 -0.38 -1.33 0.00 0.00 177.39 171.29 1wf5 n ILE 51 N -2.11 1.16 -3.84 -0.08 5.41 0.12 -4.84 119.36 115.19 1wf5 n ILE 51 Ca 0.06 0.25 -0.07 0.00 1.00 0.00 0.00 62.75 63.99 1wf5 n ILE 51 Cb 0.51 -1.78 -0.01 0.00 -0.71 0.00 0.00 39.64 37.64 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 -2.25 1.77 -0.05 0.38 1.70 -0.01 -4.13 118.95 116.36 1wf5 s ARG 52 Ca -0.09 -1.02 0.01 0.00 -0.47 0.00 0.00 55.73 54.16 1wf5 s ARG 52 Cb 0.02 0.58 0.02 0.00 -0.57 0.00 0.00 34.95 35.00 1wf5 s ARG 52 CO 0.13 -0.82 -0.05 0.71 -1.08 0.00 0.00 175.30 174.19 1wf5 s TYR 53 N -3.53 0.85 -0.57 5.89 1.51 -1.24 -0.85 117.35 119.41 1wf5 s TYR 53 Ca 0.12 -0.26 -0.21 0.00 -1.01 0.00 0.00 57.07 55.71 1wf5 s TYR 53 Cb -0.05 -0.75 0.07 0.00 -0.11 0.00 0.00 41.96 41.12 1wf5 s TYR 53 CO 0.07 -0.23 0.78 0.42 -1.11 0.00 0.00 175.55 175.48 1wf5 s ILE 54 N 1.00 4.65 -0.41 2.71 1.01 -1.24 -3.79 121.20 125.14 1wf5 s ILE 54 Ca -0.10 -0.43 -0.20 0.00 0.00 0.00 0.00 60.65 59.93 1wf5 s ILE 54 Cb -0.14 -4.47 0.01 0.00 0.01 0.00 0.00 42.46 37.87 1wf5 s ILE 54 CO -0.00 -1.08 0.60 -0.22 0.00 0.00 0.00 174.94 174.24 1wf5 s LEU 55 N 3.20 4.46 -0.19 2.97 1.98 -0.69 -3.11 118.68 127.31 1wf5 s LEU 55 Ca 0.19 -0.22 -0.07 0.00 -2.89 0.00 0.00 54.13 51.14 1wf5 s LEU 55 Cb -0.19 -2.68 -0.04 0.00 0.66 0.00 0.00 46.19 43.94 1wf5 s LEU 55 CO 0.12 -0.67 0.05 -1.61 -1.89 0.00 0.00 176.35 172.34 1wf5 s GLU 56 N 2.66 3.89 0.03 1.98 2.02 -0.56 -2.09 118.70 126.63 1wf5 s GLU 56 Ca 0.21 -0.39 -0.01 0.00 0.02 0.00 0.00 54.97 54.81 1wf5 s GLU 56 Cb -0.15 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 1wf5 s GLU 56 CO 0.17 0.22 0.17 1.41 0.02 0.00 0.00 175.26 177.24 1wf5 s MET 57 N 0.51 3.33 -0.32 1.61 -2.45 -1.05 -1.87 119.30 119.05 1wf5 s MET 57 Ca 0.02 -0.42 0.02 0.00 -1.25 0.00 0.00 55.69 54.06 1wf5 s MET 57 Cb -0.13 -3.01 0.10 0.00 1.25 0.00 0.00 34.83 33.04 1wf5 s MET 57 CO 0.01 0.64 0.05 0.45 1.05 0.00 0.00 175.02 177.22 1wf5 s SER 58 N -2.17 4.46 -0.60 1.11 0.15 -0.82 -1.77 113.70 114.06 1wf5 s SER 58 Ca 0.30 -1.90 -0.27 0.00 0.70 0.00 0.00 55.95 54.78 1wf5 s SER 58 Cb -0.13 -1.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.84 1wf5 s SER 58 CO 0.22 -0.38 1.60 -0.70 1.20 0.00 0.00 173.24 175.18 1wf5 s GLU 59 N 1.17 3.01 2.26 5.44 2.12 -1.26 -1.67 118.70 129.79 1wf5 s GLU 59 Ca 0.09 0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.88 1wf5 s GLU 59 Cb -0.18 -4.25 0.00 0.00 0.26 0.00 0.00 34.13 29.96 1wf5 s GLU 59 CO -0.13 -2.29 0.00 0.09 -0.54 0.00 0.00 175.26 172.39 1wf5 n ASN 60 N 10.86 0.00 -0.49 -1.70 3.02 -1.06 0.21 115.26 126.10 1wf5 n ASN 60 Ca 0.15 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.79 1wf5 n ASN 60 Cb 0.50 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.87 1wf5 n ASN 60 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wf5 n ASN 61 N 4.34 3.11 -4.79 6.41 3.02 -1.26 -4.97 115.26 121.12 1wf5 n ASN 61 Ca 0.00 -3.00 -0.35 0.00 -0.03 0.00 0.00 54.58 51.20 1wf5 n ASN 61 Cb 0.00 -0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 38.66 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 -2.76 2.93 0.35 5.41 0.00 0.57 -5.01 121.76 123.25 1wf5 s ALA 62 Ca 0.36 0.63 -0.26 0.00 0.00 0.00 0.00 51.96 52.69 1wf5 s ALA 62 Cb 0.30 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 20.07 1wf5 s ALA 62 CO 0.06 -0.27 1.06 -1.25 0.00 0.00 0.00 175.76 175.36 1wf5 s PRO 63 N -3.03 4.36 -0.45 0.00 0.04 -1.26 -4.08 135.00 130.58 1wf5 s PRO 63 Ca 0.65 1.62 -0.42 0.00 0.04 0.00 0.00 61.00 62.89 1wf5 s PRO 63 Cb -0.18 -2.81 -0.17 0.00 0.04 0.00 0.00 34.50 31.39 1wf5 s PRO 63 CO 0.22 0.01 2.10 0.91 0.04 0.00 0.00 177.00 180.28 1wf5 n TRP 64 N 0.45 1.36 -3.84 0.56 7.02 -1.26 -4.76 117.44 116.97 1wf5 n TRP 64 Ca 0.02 0.64 -0.36 0.00 -1.02 0.00 0.00 57.50 56.79 1wf5 n TRP 64 Cb 0.48 -2.36 -0.13 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 6.08 3.72 -0.59 -0.99 -1.32 -0.73 -4.91 115.64 116.90 1wf5 s THR 65 Ca 1.15 -0.46 -0.27 0.00 -1.21 0.00 0.00 61.69 60.90 1wf5 s THR 65 Cb -1.30 -2.75 -0.10 0.00 -1.51 0.00 0.00 72.50 66.83 1wf5 s THR 65 CO 0.62 0.33 2.47 0.52 -2.21 0.00 0.00 174.62 176.35 1wf5 n VAL 66 N 4.84 -0.05 -0.05 5.08 0.31 -1.26 -2.54 118.33 124.66 1wf5 n VAL 66 Ca -0.17 -0.62 -0.02 0.00 -0.01 0.00 0.00 64.34 63.53 1wf5 n VAL 66 Cb 0.50 -2.29 -0.01 0.00 -0.91 0.00 0.00 33.84 31.13 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 17.77 0.00 -8.16 7.52 3.38 -1.79 -3.45 115.31 130.57 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 -0.30 0.00 0.09 0.00 0.00 40.66 41.73 1wf5 h LEU 67 CO 1.20 0.47 -0.64 -0.22 0.09 0.00 0.00 178.44 179.35 1wf5 s LEU 68 N -7.34 4.15 -0.06 1.67 0.20 -1.05 -4.94 118.68 111.31 1wf5 s LEU 68 Ca -0.06 -1.14 -0.02 0.00 0.69 0.00 0.00 54.13 53.60 1wf5 s LEU 68 Cb 0.01 -1.82 -0.26 0.00 -0.43 0.00 0.00 46.19 43.68 1wf5 s LEU 68 CO 0.09 -0.30 0.62 0.00 -0.29 0.00 0.00 176.35 176.47 1wf5 h ALA 69 N 8.16 0.43 -2.75 5.97 0.00 -1.87 -1.83 119.26 127.36 1wf5 h ALA 69 Ca -0.23 -1.29 -0.72 0.00 0.00 0.00 0.00 54.91 52.66 1wf5 h ALA 69 Cb 1.08 0.50 -0.31 0.00 0.00 0.00 0.00 17.79 19.07 1wf5 h ALA 69 CO 0.58 1.29 -0.42 0.45 0.00 0.00 0.00 179.25 181.15 1wf5 s SER 70 N -6.85 5.61 0.14 0.00 0.15 -1.26 -4.49 113.70 107.01 1wf5 s SER 70 Ca -0.14 -1.96 0.10 0.00 0.70 0.00 0.00 55.95 54.66 1wf5 s SER 70 Cb 0.07 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 1wf5 s SER 70 CO 0.82 -0.66 -0.21 -0.69 1.20 0.00 0.00 173.24 173.70 1wf5 s VAL 71 N 1.29 2.62 0.12 4.45 1.01 -1.25 -4.96 120.40 123.69 1wf5 s VAL 71 Ca 0.06 -1.70 -0.31 0.00 0.00 0.00 0.00 61.98 60.04 1wf5 s VAL 71 Cb -0.25 -2.21 -0.08 0.00 0.00 0.00 0.00 36.38 33.83 1wf5 s VAL 71 CO -0.02 0.03 1.39 -1.81 0.00 0.00 0.00 175.10 174.69 1wf5 s ASP 72 N -2.30 6.82 0.40 3.32 1.11 -1.26 -3.65 116.67 121.12 1wf5 s ASP 72 Ca 0.18 2.34 0.27 0.00 0.18 0.00 0.00 52.55 55.52 1wf5 s ASP 72 Cb -0.10 -2.59 0.88 0.00 1.07 0.00 0.00 42.92 42.18 1wf5 s ASP 72 CO 0.09 -0.65 1.78 1.55 1.18 0.00 0.00 175.17 179.13 1wf5 h PRO 73 N 6.70 0.00 -0.62 8.23 0.13 -1.89 -2.61 132.00 141.95 1wf5 h PRO 73 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 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 0.86 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.26 1wf5 n LYS 74 N -2.80 4.43 -4.78 0.86 5.02 -1.26 -4.88 118.16 114.76 1wf5 n LYS 74 Ca 0.03 -2.95 -0.33 0.00 -2.02 0.00 0.00 58.31 53.04 1wf5 n LYS 74 Cb 0.39 -2.14 -0.13 0.00 -0.02 0.00 0.00 35.03 33.13 1wf5 n LYS 74 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wf5 s ALA 75 N -2.44 2.76 -0.38 7.82 0.00 -0.99 -4.99 121.76 123.55 1wf5 s ALA 75 Ca 0.51 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.59 1wf5 s ALA 75 Cb 0.38 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 1wf5 s ALA 75 CO 0.18 0.52 0.35 0.25 0.00 0.00 0.00 175.76 177.05 1wf5 n THR 76 N 2.46 0.00 -4.07 0.00 -2.24 -1.26 -4.93 114.28 104.23 1wf5 n THR 76 Ca -0.18 -0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 61.07 1wf5 n THR 76 Cb 0.52 1.03 -0.11 0.00 -2.10 0.00 0.00 70.33 69.68 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 -1.21 0.82 0.05 3.42 1.04 -1.26 0.66 113.70 117.22 1wf5 s SER 77 Ca 0.03 -0.64 -0.06 0.00 0.48 0.00 0.00 55.95 55.76 1wf5 s SER 77 Cb 0.04 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 1wf5 s SER 77 CO 0.17 -0.28 0.11 0.54 0.98 0.00 0.00 173.24 174.77 1wf5 s VAL 78 N -1.89 0.14 -0.21 5.02 0.11 0.39 -4.96 120.40 119.00 1wf5 s VAL 78 Ca -0.06 -1.17 -0.01 0.00 -2.93 0.00 0.00 61.98 57.80 1wf5 s VAL 78 Cb -0.07 -1.07 0.01 0.00 -1.53 0.00 0.00 36.38 33.73 1wf5 s VAL 78 CO -0.01 -0.65 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.11 1wf5 s THR 79 N -3.02 2.75 -0.52 5.04 2.01 -1.26 0.03 115.64 120.66 1wf5 s THR 79 Ca -0.01 -0.76 -0.18 0.00 0.31 0.00 0.00 61.69 61.05 1wf5 s THR 79 Cb 0.01 -2.24 0.08 0.00 0.01 0.00 0.00 72.50 70.36 1wf5 s THR 79 CO -0.06 0.44 0.57 -0.69 -0.69 0.00 0.00 174.62 174.18 1wf5 s VAL 80 N 1.38 5.00 0.08 3.82 1.01 -0.82 -4.88 120.40 125.97 1wf5 s VAL 80 Ca 0.05 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1wf5 s VAL 80 Cb -0.14 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1wf5 s VAL 80 CO -0.07 -0.82 -0.00 -0.54 0.00 0.00 0.00 175.10 173.66 1wf5 s LYS 81 N 2.27 2.57 0.00 2.72 1.02 -1.26 -1.34 119.74 125.72 1wf5 s LYS 81 Ca 0.10 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.28 1wf5 s LYS 81 Cb -0.23 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 1wf5 s LYS 81 CO 0.08 0.55 0.00 0.41 -0.92 0.00 0.00 175.35 175.47 1wf5 n GLY 82 N 0.69 1.60 3.92 -3.33 0.00 -0.47 -5.00 105.19 102.60 1wf5 n GLY 82 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 3.54 0.04 0.99 1.02 -1.19 -5.08 118.68 118.00 1wf5 s LEU 83 Ca 0.00 0.68 -0.11 0.00 0.02 0.00 0.00 54.13 54.72 1wf5 s LEU 83 Cb 0.00 -3.56 -0.06 0.00 0.02 0.00 0.00 46.19 42.59 1wf5 s LEU 83 CO 0.00 -0.73 0.38 -0.69 0.02 0.00 0.00 176.35 175.33 1wf5 s VAL 84 N -2.74 5.11 0.42 -1.59 1.01 -1.26 -4.74 120.40 116.61 1wf5 s VAL 84 Ca 0.49 0.53 -0.23 0.00 0.00 0.00 0.00 61.98 62.76 1wf5 s VAL 84 Cb -0.10 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 1wf5 s VAL 84 CO 0.43 0.39 1.05 -2.16 0.00 0.00 0.00 175.10 174.81 1wf5 s PRO 85 N -1.62 4.09 -1.08 2.72 0.04 -1.26 -3.74 135.00 134.15 1wf5 s PRO 85 Ca 0.29 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 62.82 1wf5 s PRO 85 Cb -0.15 -2.46 -0.01 0.00 0.04 0.00 0.00 34.50 31.93 1wf5 s PRO 85 CO 0.16 -0.20 0.91 0.00 0.04 0.00 0.00 177.00 177.90 1wf5 n ALA 86 N -0.24 -1.89 -3.42 8.56 0.00 -0.57 -4.69 120.51 118.26 1wf5 n ALA 86 Ca 0.06 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 1wf5 n ALA 86 Cb 0.50 -2.56 -0.08 0.00 0.00 0.00 0.00 19.45 17.31 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 -5.15 0.77 0.32 0.00 0.52 -1.24 -4.92 118.95 109.25 1wf5 s ARG 87 Ca 0.04 0.40 -0.18 0.00 -0.52 0.00 0.00 55.73 55.47 1wf5 s ARG 87 Cb -0.01 0.36 -0.09 0.00 0.52 0.00 0.00 34.95 35.73 1wf5 s ARG 87 CO 0.67 -0.17 0.80 -1.12 0.02 0.00 0.00 175.30 175.50 1wf5 s SER 88 N -0.50 6.93 -0.09 0.23 0.01 -1.26 -0.49 113.70 118.52 1wf5 s SER 88 Ca -0.06 1.46 -0.04 0.00 1.31 0.00 0.00 55.95 58.61 1wf5 s SER 88 Cb -0.03 -2.44 0.04 0.00 0.21 0.00 0.00 66.02 63.80 1wf5 s SER 88 CO 0.04 -0.17 0.22 -0.31 0.41 0.00 0.00 173.24 173.43 1wf5 s TYR 89 N -1.89 -0.28 0.31 2.43 2.02 0.25 -2.56 117.35 117.63 1wf5 s TYR 89 Ca 0.53 0.70 0.08 0.00 -0.37 0.00 0.00 57.07 58.01 1wf5 s TYR 89 Cb -0.12 0.00 -0.03 0.00 -0.40 0.00 0.00 41.96 41.40 1wf5 s TYR 89 CO 0.18 -0.22 0.19 -0.65 -1.57 0.00 0.00 175.55 173.48 1wf5 s GLN 90 N 1.30 2.63 -0.02 -0.62 -0.21 -0.67 -3.13 119.66 118.94 1wf5 s GLN 90 Ca -0.09 -1.31 -0.08 0.00 0.02 0.00 0.00 55.36 53.91 1wf5 s GLN 90 Cb -0.11 -2.38 0.01 0.00 1.00 0.00 0.00 33.01 31.53 1wf5 s GLN 90 CO -0.08 0.21 0.17 -0.06 -2.12 0.00 0.00 175.29 173.41 1wf5 s PHE 91 N -2.29 -0.05 -0.30 0.91 0.08 -1.26 -1.94 117.98 113.13 1wf5 s PHE 91 Ca 0.37 0.08 -0.08 0.00 0.12 0.00 0.00 56.93 57.43 1wf5 s PHE 91 Cb -0.06 -0.00 0.18 0.00 -0.57 0.00 0.00 43.02 42.57 1wf5 s PHE 91 CO 0.24 -0.24 0.82 -0.98 -0.10 0.00 0.00 175.22 174.96 1wf5 s ARG 92 N -0.95 0.39 0.22 0.44 1.70 -0.78 -2.90 118.95 117.06 1wf5 s ARG 92 Ca -0.10 0.73 0.10 0.00 -0.47 0.00 0.00 55.73 55.99 1wf5 s ARG 92 Cb -0.06 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 1wf5 s ARG 92 CO 0.01 -0.38 -0.14 -0.48 -1.08 0.00 0.00 175.30 173.23 1wf5 s LEU 93 N 2.86 2.78 0.45 -1.89 2.34 -1.26 -1.50 118.68 122.46 1wf5 s LEU 93 Ca 0.08 -0.76 0.04 0.00 0.06 0.00 0.00 54.13 53.55 1wf5 s LEU 93 Cb -0.12 -1.42 -0.04 0.00 -0.56 0.00 0.00 46.19 44.05 1wf5 s LEU 93 CO -0.17 0.08 0.02 0.00 -1.06 0.00 0.00 176.35 175.22 1wf5 s ALA 95 N -2.87 3.46 -0.12 0.00 0.00 -1.19 -3.61 121.76 117.43 1wf5 s ALA 95 Ca 0.21 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.36 1wf5 s ALA 95 Cb 0.06 -2.08 0.02 0.00 0.00 0.00 0.00 23.12 21.11 1wf5 s ALA 95 CO 0.11 -0.01 -0.14 0.08 0.00 0.00 0.00 175.76 175.79 1wf5 s VAL 96 N 0.72 1.48 0.24 0.00 1.01 -0.03 0.41 120.40 124.22 1wf5 s VAL 96 Ca 0.05 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1wf5 s VAL 96 Cb -0.13 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1wf5 s VAL 96 CO 0.02 0.44 0.10 -0.46 0.00 0.00 0.00 175.10 175.19 1wf5 n ASN 97 N 4.38 0.98 0.03 3.32 0.23 0.33 0.11 115.26 124.64 1wf5 n ASN 97 Ca -0.18 -2.31 -0.10 0.00 -0.53 0.00 0.00 54.58 51.45 1wf5 n ASN 97 Cb 0.51 0.66 -0.04 0.00 -2.08 0.00 0.00 39.78 38.83 1wf5 n ASN 97 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 1wf5 h ASP 98 N 1.00 -0.66 -0.94 0.53 3.58 -1.91 -0.31 116.42 117.71 1wf5 h ASP 98 Ca -0.19 0.10 0.27 0.00 0.42 0.00 0.00 57.03 57.64 1wf5 h ASP 98 Cb 0.73 0.29 -0.15 0.00 1.72 0.00 0.00 39.33 41.92 1wf5 h ASP 98 CO 0.30 -0.28 0.37 -0.37 -2.88 0.00 0.00 179.24 176.38 1wf5 h VAL 99 N -0.31 0.30 0.00 2.25 -1.51 -1.91 -3.47 116.25 111.60 1wf5 h VAL 99 Ca 0.08 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1wf5 h VAL 99 Cb 0.43 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.61 1wf5 h VAL 99 CO -0.25 0.05 0.00 0.61 -1.23 0.00 0.00 177.57 176.75 1wf5 n GLY 100 N -1.34 -0.28 3.55 5.19 0.00 -0.13 -5.00 105.19 107.18 1wf5 n GLY 100 Ca 0.26 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 1wf5 n GLY 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wf5 s LYS 101 N -2.00 2.12 0.00 1.61 2.20 -1.26 0.12 119.74 122.53 1wf5 s LYS 101 Ca 0.00 -1.00 0.00 0.00 -0.36 0.00 0.00 55.97 54.61 1wf5 s LYS 101 Cb 0.00 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 34.03 1wf5 s LYS 101 CO 0.00 0.52 0.00 0.41 -0.36 0.00 0.00 175.35 175.92 1wf5 n GLY 102 N 0.94 0.33 3.22 5.54 0.00 0.17 -4.77 105.19 110.62 1wf5 n GLY 102 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 1.83 0.93 0.31 1.61 -2.07 -1.26 -4.91 119.66 116.10 1wf5 s GLN 103 Ca 0.00 -1.17 -0.03 0.00 -1.82 0.00 0.00 55.36 52.35 1wf5 s GLN 103 Cb 0.00 0.31 -0.04 0.00 -1.09 0.00 0.00 33.01 32.19 1wf5 s GLN 103 CO 0.00 -0.29 0.55 -0.06 -1.32 0.00 0.00 175.29 174.17 1wf5 s PHE 104 N -3.94 3.49 0.32 9.60 0.40 -1.26 -3.19 117.98 123.40 1wf5 s PHE 104 Ca 0.13 0.52 -0.21 0.00 -0.60 0.00 0.00 56.93 56.77 1wf5 s PHE 104 Cb 0.05 -2.02 -0.10 0.00 0.51 0.00 0.00 43.02 41.47 1wf5 s PHE 104 CO -0.05 0.14 0.85 -1.54 0.70 0.00 0.00 175.22 175.33 1wf5 s SER 105 N -3.54 7.08 1.04 1.36 1.04 -0.06 -4.83 113.70 115.80 1wf5 s SER 105 Ca 0.42 1.60 -0.21 0.00 0.48 0.00 0.00 55.95 58.24 1wf5 s SER 105 Cb -0.10 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 1wf5 s SER 105 CO 0.33 -0.13 -0.61 0.29 0.98 0.00 0.00 173.24 174.10 1wf5 n LYS 106 N 0.18 -0.67 -2.33 4.02 5.02 -1.26 -4.46 118.16 118.65 1wf5 n LYS 106 Ca 0.02 -0.18 -0.43 0.00 -2.02 0.00 0.00 58.31 55.70 1wf5 n LYS 106 Cb 0.52 -1.38 -0.02 0.00 -0.02 0.00 0.00 35.03 34.12 1wf5 n LYS 106 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1wf5 s ASP 107 N -1.45 6.52 0.98 4.39 1.47 -1.26 -4.65 116.67 122.67 1wf5 s ASP 107 Ca 0.47 1.21 -0.16 0.00 1.18 0.00 0.00 52.55 55.25 1wf5 s ASP 107 Cb -0.06 -2.54 0.07 0.00 -0.34 0.00 0.00 42.92 40.05 1wf5 s ASP 107 CO 0.68 -1.21 -0.15 0.35 0.68 0.00 0.00 175.17 175.52 1wf5 n THR 108 N 6.48 0.00 -2.02 2.11 -2.24 -1.14 -4.80 114.28 112.67 1wf5 n THR 108 Ca 0.16 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.42 1wf5 n THR 108 Cb 0.47 -0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 1wf5 n THR 108 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1wf5 s GLU 109 N -3.03 4.24 -0.82 -0.78 2.12 -1.26 -4.75 118.70 114.42 1wf5 s GLU 109 Ca 0.38 2.25 -0.20 0.00 0.36 0.00 0.00 54.97 57.75 1wf5 s GLU 109 Cb -0.04 -3.30 -0.21 0.00 0.26 0.00 0.00 34.13 30.85 1wf5 s GLU 109 CO 0.45 -0.58 2.09 -2.13 -0.54 0.00 0.00 175.26 174.54 1wf5 n ARG 110 N 4.38 0.00 -3.04 4.30 0.63 -1.26 -4.80 116.66 116.87 1wf5 n ARG 110 Ca 0.14 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.65 1wf5 n ARG 110 Cb 0.40 -1.12 -0.06 0.00 0.45 0.00 0.00 32.46 32.14 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 5.32 4.90 -0.10 5.15 1.01 -1.18 -4.93 120.40 130.57 1wf5 s VAL 111 Ca 1.11 1.14 -0.03 0.00 0.00 0.00 0.00 61.98 64.19 1wf5 s VAL 111 Cb -0.94 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 31.38 1wf5 s VAL 111 CO 0.42 -0.10 0.04 -0.44 0.00 0.00 0.00 175.10 175.02 1wf5 s SER 112 N 1.53 5.53 0.36 3.32 0.01 -1.26 0.87 113.70 124.06 1wf5 s SER 112 Ca 0.29 0.22 -0.04 0.00 1.31 0.00 0.00 55.95 57.73 1wf5 s SER 112 Cb -0.15 -1.63 -0.04 0.00 0.21 0.00 0.00 66.02 64.41 1wf5 s SER 112 CO 0.10 0.38 0.62 -0.22 0.41 0.00 0.00 173.24 174.54 1wf5 s LEU 113 N -0.90 3.93 0.35 2.44 2.96 0.35 -4.88 118.68 122.92 1wf5 s LEU 113 Ca 0.13 0.72 -0.26 0.00 -0.22 0.00 0.00 54.13 54.50 1wf5 s LEU 113 Cb -0.12 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 42.90 1wf5 s LEU 113 CO 0.03 -0.33 1.06 -2.16 -1.32 0.00 0.00 176.35 173.63 1wf5 s PRO 114 N -4.08 4.36 0.81 0.98 0.04 -1.26 -1.95 135.00 133.91 1wf5 s PRO 114 Ca 0.44 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.99 1wf5 s PRO 114 Cb -0.10 -2.81 0.09 0.00 0.04 0.00 0.00 34.50 31.71 1wf5 s PRO 114 CO 0.35 0.01 1.14 -2.00 0.04 0.00 0.00 177.00 176.55 1wf5 s GLU 115 N -2.05 1.75 0.19 4.56 2.12 -1.26 -1.51 118.70 122.50 1wf5 s GLU 115 Ca 0.52 1.49 0.00 0.00 0.36 0.00 0.00 54.97 57.34 1wf5 s GLU 115 Cb -0.26 -1.81 0.00 0.00 0.26 0.00 0.00 34.13 32.32 1wf5 s GLU 115 CO 0.33 -2.08 0.00 0.45 -0.54 0.00 0.00 175.26 173.42 1wf5 n SER 116 N -3.55 -1.74 0.00 -1.70 2.88 -1.26 -4.78 113.62 103.48 1wf5 n SER 116 Ca 0.11 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1wf5 n SER 116 Cb 0.52 1.84 0.00 0.00 -0.75 0.00 0.00 64.21 65.82 1wf5 n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wf5 n GLY 117 N -1.27 0.74 2.61 0.46 0.00 -1.26 -2.28 105.19 104.20 1wf5 n GLY 117 Ca 0.00 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 2.58 -3.85 1.61 -0.04 -1.26 -4.70 135.00 129.35 1wf5 n PRO 118 Ca 0.00 -1.90 -0.28 0.00 -0.04 0.00 0.00 63.50 61.28 1wf5 n PRO 118 Cb 0.00 -2.74 -0.12 0.00 -0.04 0.00 0.00 33.50 30.60 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 3.26 4.45 0.01 3.54 0.15 -0.96 -5.08 113.70 119.06 1wf5 s SER 119 Ca 0.52 -3.69 0.02 0.00 0.70 0.00 0.00 55.95 53.50 1wf5 s SER 119 Cb 0.14 -1.51 -0.04 0.00 -1.71 0.00 0.00 66.02 62.90 1wf5 s SER 119 CO -0.03 -0.11 -0.00 -0.44 1.20 0.00 0.00 173.24 173.86 1wf5 s SER 120 N -1.19 5.07 0.00 5.45 0.01 -1.26 -5.05 113.70 116.73 1wf5 s SER 120 Ca 0.25 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1wf5 s SER 120 Cb -0.06 -1.30 0.00 0.00 0.21 0.00 0.00 66.02 64.87 1wf5 s SER 120 CO -0.15 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.38