#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 -0.92 -4.88 1.61 7.64 -1.26 -5.11 113.62 110.70 1wf5 n SER 2 Ca 0.00 0.52 -0.32 0.00 1.01 0.00 0.00 58.87 60.07 1wf5 n SER 2 Cb 0.00 1.04 -0.05 0.00 -1.01 0.00 0.00 64.21 64.19 1wf5 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wf5 s SER 3 N -4.38 6.61 0.25 6.43 1.04 -1.26 -5.10 113.70 117.29 1wf5 s SER 3 Ca 0.00 0.84 0.02 0.00 0.48 0.00 0.00 55.95 57.29 1wf5 s SER 3 Cb 0.00 -2.19 -0.04 0.00 0.10 0.00 0.00 66.02 63.89 1wf5 s SER 3 CO 0.00 -0.01 0.18 -0.83 0.98 0.00 0.00 173.24 173.56 1wf5 s GLY 4 N -2.29 1.77 0.05 7.32 0.00 -1.26 -5.17 107.32 107.73 1wf5 s GLY 4 Ca 0.44 -1.84 0.03 0.00 0.00 0.00 0.00 44.72 43.35 1wf5 s GLY 4 CO 0.22 -1.43 -0.09 -0.56 0.00 0.00 0.00 173.10 171.24 1wf5 s SER 5 N -3.24 0.98 0.16 1.64 0.01 -1.26 -5.15 113.70 106.84 1wf5 s SER 5 Ca 0.40 -0.56 -0.12 0.00 1.31 0.00 0.00 55.95 56.97 1wf5 s SER 5 Cb 0.05 0.02 -0.07 0.00 0.21 0.00 0.00 66.02 66.24 1wf5 s SER 5 CO 0.18 -0.19 0.52 -0.55 0.41 0.00 0.00 173.24 173.61 1wf5 s SER 6 N -1.62 6.72 0.19 2.44 0.15 -1.26 -5.01 113.70 115.32 1wf5 s SER 6 Ca -0.09 0.97 -0.32 0.00 0.70 0.00 0.00 55.95 57.21 1wf5 s SER 6 Cb -0.10 -2.24 -0.15 0.00 -1.71 0.00 0.00 66.02 61.81 1wf5 s SER 6 CO 0.01 0.06 1.13 0.61 1.20 0.00 0.00 173.24 176.25 1wf5 n GLY 7 N 0.52 -0.02 1.89 9.45 0.00 -1.26 -4.85 105.19 110.93 1wf5 n GLY 7 Ca -0.04 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1wf5 n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wf5 n ARG 8 N 1.58 0.00 -3.84 1.61 3.00 -1.26 -5.03 116.66 112.72 1wf5 n ARG 8 Ca 0.14 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.64 1wf5 n ARG 8 Cb 0.26 -0.06 -0.13 0.00 0.00 0.00 0.00 32.46 32.54 1wf5 n ARG 8 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1wf5 s SER 9 N -5.08 5.11 0.96 6.15 1.04 -1.26 -5.09 113.70 115.52 1wf5 s SER 9 Ca 0.00 -2.00 -0.11 0.00 0.48 0.00 0.00 55.95 54.32 1wf5 s SER 9 Cb 0.00 -1.77 0.14 0.00 0.10 0.00 0.00 66.02 64.48 1wf5 s SER 9 CO 0.00 -0.48 0.93 0.00 0.98 0.00 0.00 173.24 174.66 1wf5 n ALA 10 N 4.52 -1.53 -0.55 5.32 0.00 -1.26 -5.00 120.51 122.00 1wf5 n ALA 10 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1wf5 n ALA 10 Cb 0.42 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 -4.18 0.00 -0.05 0.00 -0.00 -1.26 -4.94 115.22 104.79 1wf5 n HIS 11 Ca 0.10 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.22 1wf5 n HIS 11 Cb 0.53 -0.11 -0.02 0.00 -0.12 0.00 0.00 29.99 30.27 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 -1.59 1.25 -3.71 0.27 7.99 -1.26 -5.08 117.00 114.87 1wf5 n LEU 12 Ca 0.00 0.21 -0.12 0.00 -0.01 0.00 0.00 56.01 56.08 1wf5 n LEU 12 Cb 0.00 -0.59 -0.07 0.00 -0.11 0.00 0.00 43.42 42.65 1wf5 n LEU 12 CO 0.00 -0.40 0.09 -0.13 -1.51 0.00 0.00 177.39 175.44 1wf5 s ARG 13 N -2.22 0.85 -0.22 3.23 3.00 -1.26 -5.15 118.95 117.18 1wf5 s ARG 13 Ca -0.17 -0.41 -0.06 0.00 0.00 0.00 0.00 55.73 55.10 1wf5 s ARG 13 Cb 0.02 0.38 -0.03 0.00 0.00 0.00 0.00 34.95 35.32 1wf5 s ARG 13 CO 0.25 -0.28 0.03 0.54 0.00 0.00 0.00 175.30 175.84 1wf5 s VAL 14 N -2.40 4.12 -0.80 3.52 0.11 -1.26 -5.03 120.40 118.65 1wf5 s VAL 14 Ca -0.06 -0.25 -0.25 0.00 -2.93 0.00 0.00 61.98 58.49 1wf5 s VAL 14 Cb -0.01 -2.89 -0.03 0.00 -1.53 0.00 0.00 36.38 31.92 1wf5 s VAL 14 CO -0.02 0.39 1.84 -0.13 -3.33 0.00 0.00 175.10 173.85 1wf5 s ARG 15 N 1.26 2.70 0.31 1.54 0.52 -1.26 -4.38 118.95 119.63 1wf5 s ARG 15 Ca 0.04 -0.05 -0.04 0.00 -0.52 0.00 0.00 55.73 55.16 1wf5 s ARG 15 Cb -0.15 -4.81 -0.05 0.00 0.52 0.00 0.00 34.95 30.47 1wf5 s ARG 15 CO 0.02 -2.99 0.56 -1.14 0.02 0.00 0.00 175.30 171.77 1wf5 s GLN 16 N 6.78 3.61 0.38 3.54 2.00 -1.26 -4.92 119.66 129.78 1wf5 s GLN 16 Ca 0.65 -0.03 -0.24 0.00 -2.00 0.00 0.00 55.36 53.74 1wf5 s GLN 16 Cb -0.08 -2.64 -0.10 0.00 0.80 0.00 0.00 33.01 31.00 1wf5 s GLN 16 CO 0.07 0.19 1.00 -0.51 -0.50 0.00 0.00 175.29 175.53 1wf5 s LEU 17 N -3.71 4.18 0.49 3.68 1.43 -1.26 -3.56 118.68 119.93 1wf5 s LEU 17 Ca 0.43 1.93 -0.20 0.00 -1.03 0.00 0.00 54.13 55.27 1wf5 s LEU 17 Cb -0.11 -4.17 -0.08 0.00 0.03 0.00 0.00 46.19 41.86 1wf5 s LEU 17 CO 0.31 -0.34 1.04 -2.16 0.23 0.00 0.00 176.35 175.44 1wf5 s PRO 18 N -2.43 3.78 0.53 1.29 0.04 -1.26 -3.89 135.00 133.06 1wf5 s PRO 18 Ca 0.56 1.35 -0.13 0.00 0.04 0.00 0.00 61.00 62.82 1wf5 s PRO 18 Cb -0.19 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 1wf5 s PRO 18 CO 0.25 -0.44 0.94 -1.01 0.04 0.00 0.00 177.00 176.78 1wf5 s HIS 19 N -2.01 3.52 0.98 0.56 3.76 -1.09 -3.59 115.29 117.42 1wf5 s HIS 19 Ca 0.67 1.28 -0.11 0.00 -0.15 0.00 0.00 55.06 56.74 1wf5 s HIS 19 Cb -0.16 -2.66 0.18 0.00 1.11 0.00 0.00 32.58 31.04 1wf5 s HIS 19 CO 0.21 -0.42 1.09 0.00 -0.85 0.00 0.00 174.74 174.77 1wf5 s ALA 20 N -2.77 0.94 0.05 -1.40 0.00 -1.23 -4.42 121.76 112.93 1wf5 s ALA 20 Ca 0.55 0.19 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 1wf5 s ALA 20 Cb -0.10 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1wf5 s ALA 20 CO 0.40 -2.94 1.17 -1.25 0.00 0.00 0.00 175.76 173.14 1wf5 s PRO 21 N -4.68 4.45 0.82 0.00 0.04 -1.26 -4.58 135.00 129.79 1wf5 s PRO 21 Ca 0.66 1.72 -0.05 0.00 0.04 0.00 0.00 61.00 63.37 1wf5 s PRO 21 Cb -0.22 -3.37 0.17 0.00 0.04 0.00 0.00 34.50 31.13 1wf5 s PRO 21 CO 0.60 -0.23 1.13 -1.21 0.04 0.00 0.00 177.00 177.32 1wf5 s GLU 22 N 1.08 1.16 -1.12 4.56 0.41 -1.22 -4.40 118.70 119.17 1wf5 s GLU 22 Ca 0.58 -1.03 -0.13 0.00 -0.41 0.00 0.00 54.97 53.97 1wf5 s GLU 22 Cb -0.28 -2.17 0.02 0.00 -1.78 0.00 0.00 34.13 29.91 1wf5 s GLU 22 CO 0.29 -1.88 0.25 1.58 -0.49 0.00 0.00 175.26 175.00 1wf5 n HIS 23 N -3.19 -1.04 -2.27 1.61 -0.00 -1.26 0.11 115.22 109.17 1wf5 n HIS 23 Ca 0.17 0.28 -0.36 0.00 0.46 0.00 0.00 57.72 58.27 1wf5 n HIS 23 Cb 0.60 -2.22 -0.03 0.00 -0.12 0.00 0.00 29.99 28.23 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 -4.05 2.41 -3.64 1.57 -0.04 -1.26 -3.86 135.00 126.12 1wf5 n PRO 24 Ca -0.18 -2.84 -0.37 0.00 -0.04 0.00 0.00 63.50 60.06 1wf5 n PRO 24 Cb 0.51 -3.58 -0.06 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 7.34 5.29 -0.24 0.52 1.01 0.29 -4.54 120.40 130.07 1wf5 s VAL 25 Ca 0.60 0.51 -0.02 0.00 0.00 0.00 0.00 61.98 63.07 1wf5 s VAL 25 Cb 0.03 -3.58 0.08 0.00 0.00 0.00 0.00 36.38 32.91 1wf5 s VAL 25 CO 0.10 0.52 0.06 0.00 0.00 0.00 0.00 175.10 175.78 1wf5 s ALA 26 N -0.45 1.18 0.12 5.51 0.00 -1.26 -0.88 121.76 125.98 1wf5 s ALA 26 Ca 0.18 -1.06 0.10 0.00 0.00 0.00 0.00 51.96 51.18 1wf5 s ALA 26 Cb -0.14 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 1wf5 s ALA 26 CO 0.06 -1.37 -0.23 0.95 0.00 0.00 0.00 175.76 175.17 1wf5 s THR 27 N 1.78 2.52 0.83 0.00 -4.23 -0.90 -4.79 115.64 110.86 1wf5 s THR 27 Ca 0.03 -1.64 -0.11 0.00 -1.18 0.00 0.00 61.69 58.78 1wf5 s THR 27 Cb -0.17 -2.14 0.09 0.00 1.34 0.00 0.00 72.50 71.62 1wf5 s THR 27 CO -0.16 0.10 1.09 -0.76 -0.54 0.00 0.00 174.62 174.35 1wf5 s LEU 28 N -2.09 2.49 -0.22 4.79 1.43 -1.26 0.21 118.68 124.03 1wf5 s LEU 28 Ca 0.16 1.40 -0.19 0.00 -1.03 0.00 0.00 54.13 54.46 1wf5 s LEU 28 Cb -0.10 -3.94 -0.03 0.00 0.03 0.00 0.00 46.19 42.15 1wf5 s LEU 28 CO 0.08 -2.22 0.58 -0.55 0.23 0.00 0.00 176.35 174.47 1wf5 s SER 29 N -3.70 6.58 -0.18 2.29 0.15 0.20 -4.51 113.70 114.53 1wf5 s SER 29 Ca 0.62 0.71 0.03 0.00 0.70 0.00 0.00 55.95 58.00 1wf5 s SER 29 Cb -0.16 -2.32 0.33 0.00 -1.71 0.00 0.00 66.02 62.16 1wf5 s SER 29 CO 0.55 -0.27 1.33 0.35 1.20 0.00 0.00 173.24 176.41 1wf5 n THR 30 N 4.83 1.82 0.00 6.45 -2.24 -1.26 -3.98 114.28 119.91 1wf5 n THR 30 Ca -0.03 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 1wf5 n THR 30 Cb 0.50 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 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 -0.12 0.00 -3.51 2.28 0.24 -1.26 -5.07 118.33 110.89 1wf5 n VAL 31 Ca 0.24 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 62.16 1wf5 n VAL 31 Cb 0.95 -0.26 -0.10 0.00 -1.47 0.00 0.00 33.84 32.97 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 -1.74 4.02 0.51 7.34 2.02 -1.26 -5.06 118.70 124.53 1wf5 s GLU 32 Ca 0.00 -0.12 -0.22 0.00 0.02 0.00 0.00 54.97 54.65 1wf5 s GLU 32 Cb 0.00 -3.62 -0.06 0.00 0.10 0.00 0.00 34.13 30.55 1wf5 s GLU 32 CO 0.00 -0.15 1.22 1.03 0.02 0.00 0.00 175.26 177.38 1wf5 s ARG 33 N 1.69 3.45 -1.24 1.61 1.81 -1.26 -3.38 118.95 121.63 1wf5 s ARG 33 Ca 0.11 1.90 -0.19 0.00 -1.72 0.00 0.00 55.73 55.83 1wf5 s ARG 33 Cb -0.15 -2.27 0.01 0.00 -0.45 0.00 0.00 34.95 32.08 1wf5 s ARG 33 CO 0.09 -0.84 0.64 0.54 -0.68 0.00 0.00 175.30 175.05 1wf5 n ARG 34 N -0.85 -1.37 -3.68 3.54 1.74 -1.26 -4.82 116.66 109.97 1wf5 n ARG 34 Ca 0.09 0.32 -0.09 0.00 -0.77 0.00 0.00 57.85 57.40 1wf5 n ARG 34 Cb 0.48 -3.75 -0.10 0.00 -1.02 0.00 0.00 32.46 28.07 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 -3.64 -1.20 -0.06 7.54 0.00 -1.22 -2.26 121.76 120.93 1wf5 s ALA 35 Ca 0.36 1.66 0.01 0.00 0.00 0.00 0.00 51.96 53.99 1wf5 s ALA 35 Cb -0.15 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 1wf5 s ALA 35 CO 0.90 -0.39 -0.07 0.42 0.00 0.00 0.00 175.76 176.62 1wf5 s ILE 36 N 1.70 3.66 -0.50 0.00 1.01 -0.77 0.61 121.20 126.92 1wf5 s ILE 36 Ca -0.08 -0.51 -0.16 0.00 0.00 0.00 0.00 60.65 59.90 1wf5 s ILE 36 Cb -0.09 -2.50 0.09 0.00 0.01 0.00 0.00 42.46 39.97 1wf5 s ILE 36 CO -0.14 0.58 0.45 0.20 0.00 0.00 0.00 174.94 176.03 1wf5 s ASN 37 N -0.85 6.16 -0.01 3.58 0.01 0.57 -1.34 114.94 123.06 1wf5 s ASN 37 Ca 0.13 -1.43 -0.22 0.00 -0.71 0.00 0.00 52.86 50.62 1wf5 s ASN 37 Cb -0.11 -2.20 -0.05 0.00 0.41 0.00 0.00 41.25 39.30 1wf5 s ASN 37 CO 0.02 -0.73 0.66 -0.22 -1.51 0.00 0.00 177.10 175.31 1wf5 s LEU 38 N 1.72 4.39 -0.10 0.60 1.98 0.35 -2.12 118.68 125.49 1wf5 s LEU 38 Ca 0.05 1.22 -0.04 0.00 -2.89 0.00 0.00 54.13 52.46 1wf5 s LEU 38 Cb -0.26 -3.03 0.05 0.00 0.66 0.00 0.00 46.19 43.62 1wf5 s LEU 38 CO 0.06 0.02 0.21 0.42 -1.89 0.00 0.00 176.35 175.17 1wf5 s THR 39 N 0.14 -0.16 0.39 3.68 -4.23 -0.06 -0.06 115.64 115.35 1wf5 s THR 39 Ca 0.34 0.22 0.05 0.00 -1.18 0.00 0.00 61.69 61.12 1wf5 s THR 39 Cb -0.18 -0.34 -0.02 0.00 1.34 0.00 0.00 72.50 73.29 1wf5 s THR 39 CO 0.18 0.09 0.18 -1.66 -0.54 0.00 0.00 174.62 172.88 1wf5 s TRP 40 N 1.65 1.77 0.18 3.99 -2.14 0.27 -0.55 118.94 124.10 1wf5 s TRP 40 Ca -0.05 -1.43 0.05 0.00 2.66 0.00 0.00 56.10 57.32 1wf5 s TRP 40 Cb -0.11 -1.01 -0.04 0.00 -3.10 0.00 0.00 33.47 29.21 1wf5 s TRP 40 CO -0.07 -0.50 0.21 0.99 -2.66 0.00 0.00 176.95 174.91 1wf5 s THR 41 N -3.27 4.81 -0.40 0.66 2.01 0.12 -4.72 115.64 114.84 1wf5 s THR 41 Ca 0.28 -1.00 -0.29 0.00 0.31 0.00 0.00 61.69 60.99 1wf5 s THR 41 Cb 0.02 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 69.05 1wf5 s THR 41 CO 0.19 -0.16 1.18 -0.75 -0.69 0.00 0.00 174.62 174.39 1wf5 s LYS 42 N -3.33 3.82 1.04 4.92 2.36 -1.26 -3.44 119.74 123.85 1wf5 s LYS 42 Ca 0.33 0.85 -0.16 0.00 -2.55 0.00 0.00 55.97 54.43 1wf5 s LYS 42 Cb -0.10 -3.87 0.22 0.00 -1.05 0.00 0.00 37.83 33.03 1wf5 s LYS 42 CO 0.26 -1.24 1.20 -1.25 1.55 0.00 0.00 175.35 175.87 1wf5 s PRO 43 N 4.27 0.03 -0.17 4.03 0.04 -1.26 -4.93 135.00 137.00 1wf5 s PRO 43 Ca 0.50 -0.13 -0.20 0.00 0.04 0.00 0.00 61.00 61.21 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 0.26 -2.87 0.59 0.12 0.04 0.00 0.00 177.00 175.15 1wf5 s PHE 44 N -3.42 3.42 -0.06 0.56 2.19 -1.26 -4.92 117.98 114.49 1wf5 s PHE 44 Ca 0.71 0.93 -0.30 0.00 0.33 0.00 0.00 56.93 58.60 1wf5 s PHE 44 Cb -0.08 -2.73 -0.02 0.00 -1.31 0.00 0.00 43.02 38.87 1wf5 s PHE 44 CO 0.54 -0.07 1.03 0.16 1.83 0.00 0.00 175.22 178.70 1wf5 s ASP 45 N 1.05 7.26 0.10 6.13 -4.77 -1.26 -2.66 116.67 122.52 1wf5 s ASP 45 Ca 0.28 1.62 -0.20 0.00 -3.30 0.00 0.00 52.55 50.95 1wf5 s ASP 45 Cb -0.16 -2.56 -0.05 0.00 -1.09 0.00 0.00 42.92 39.06 1wf5 s ASP 45 CO 0.11 -0.40 1.35 1.23 0.70 0.00 0.00 175.17 178.16 1wf5 h GLY 46 N 7.58 -1.48 -2.09 2.12 0.00 -1.67 -3.40 103.07 104.13 1wf5 h GLY 46 Ca -0.35 0.89 -0.06 0.00 0.00 0.00 0.00 47.33 47.80 1wf5 h GLY 46 CO 0.82 -0.35 -0.12 -2.01 0.00 0.00 0.00 176.54 174.88 1wf5 n ASN 47 N -4.43 -0.49 -3.61 0.19 2.85 -1.25 -4.50 115.26 104.03 1wf5 n ASN 47 Ca 0.00 -1.05 -0.13 0.00 -0.11 0.00 0.00 54.58 53.29 1wf5 n ASN 47 Cb 0.18 0.18 -0.06 0.00 1.24 0.00 0.00 39.78 41.32 1wf5 n ASN 47 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1wf5 s SER 48 N -0.45 -0.37 0.02 1.20 0.15 -1.26 -4.83 113.70 108.17 1wf5 s SER 48 Ca 0.01 0.08 -0.30 0.00 0.70 0.00 0.00 55.95 56.44 1wf5 s SER 48 Cb 0.05 0.46 -0.05 0.00 -1.71 0.00 0.00 66.02 64.78 1wf5 s SER 48 CO -0.02 -0.70 1.18 -2.16 1.20 0.00 0.00 173.24 172.75 1wf5 s PRO 49 N -2.50 4.42 0.79 5.44 0.04 -1.26 -4.78 135.00 137.15 1wf5 s PRO 49 Ca -0.05 1.72 -0.17 0.00 0.04 0.00 0.00 61.00 62.54 1wf5 s PRO 49 Cb -0.01 -3.42 -0.10 0.00 0.04 0.00 0.00 34.50 31.01 1wf5 s PRO 49 CO -0.02 -0.30 -0.18 1.28 0.04 0.00 0.00 177.00 177.82 1wf5 n LEU 50 N 4.32 -3.16 0.00 -3.56 4.77 -1.26 -4.36 117.00 113.75 1wf5 n LEU 50 Ca 0.09 0.43 -0.04 0.00 -0.03 0.00 0.00 56.01 56.46 1wf5 n LEU 50 Cb 0.47 -0.94 -0.01 0.00 -2.33 0.00 0.00 43.42 40.61 1wf5 n LEU 50 CO 0.55 -4.76 -0.38 -0.38 -1.33 0.00 0.00 177.39 171.09 1wf5 n ILE 51 N -2.30 0.85 -3.86 -0.08 5.41 0.22 -4.87 119.36 114.73 1wf5 n ILE 51 Ca 0.05 0.16 -0.09 0.00 1.00 0.00 0.00 62.75 63.87 1wf5 n ILE 51 Cb 0.52 -1.67 0.01 0.00 -0.71 0.00 0.00 39.64 37.79 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 -2.14 2.14 -0.03 0.38 1.70 -0.68 -4.13 118.95 116.19 1wf5 s ARG 52 Ca -0.07 -1.44 0.02 0.00 -0.47 0.00 0.00 55.73 53.77 1wf5 s ARG 52 Cb 0.02 0.60 0.01 0.00 -0.57 0.00 0.00 34.95 35.00 1wf5 s ARG 52 CO 0.09 -0.99 -0.08 0.71 -1.08 0.00 0.00 175.30 173.95 1wf5 s TYR 53 N -2.58 0.89 -0.51 5.89 1.51 -1.14 -1.86 117.35 119.55 1wf5 s TYR 53 Ca 0.17 -0.23 -0.12 0.00 -1.01 0.00 0.00 57.07 55.89 1wf5 s TYR 53 Cb -0.04 -0.66 0.13 0.00 -0.11 0.00 0.00 41.96 41.28 1wf5 s TYR 53 CO 0.12 -0.11 0.42 0.42 -1.11 0.00 0.00 175.55 175.29 1wf5 s ILE 54 N 0.31 4.64 -0.16 2.71 1.01 -1.23 -3.23 121.20 125.26 1wf5 s ILE 54 Ca -0.05 -1.69 -0.24 0.00 0.00 0.00 0.00 60.65 58.67 1wf5 s ILE 54 Cb -0.09 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 1wf5 s ILE 54 CO 0.00 -0.82 0.76 -0.22 0.00 0.00 0.00 174.94 174.66 1wf5 s LEU 55 N 1.42 4.19 -0.21 2.97 2.96 -0.01 -2.71 118.68 127.29 1wf5 s LEU 55 Ca 0.05 1.08 -0.03 0.00 -0.22 0.00 0.00 54.13 55.01 1wf5 s LEU 55 Cb -0.27 -3.12 -0.01 0.00 0.50 0.00 0.00 46.19 43.29 1wf5 s LEU 55 CO 0.01 -0.32 -0.06 -1.61 -1.32 0.00 0.00 176.35 173.05 1wf5 s GLU 56 N 1.86 3.35 -0.11 1.98 0.41 -0.47 -0.76 118.70 124.95 1wf5 s GLU 56 Ca 0.36 -0.64 -0.05 0.00 -0.41 0.00 0.00 54.97 54.22 1wf5 s GLU 56 Cb -0.17 -2.95 -0.04 0.00 -1.78 0.00 0.00 34.13 29.19 1wf5 s GLU 56 CO 0.13 -0.17 0.09 1.41 -0.49 0.00 0.00 175.26 176.23 1wf5 s MET 57 N 1.40 3.32 -0.20 1.61 -2.45 -0.83 -1.08 119.30 121.07 1wf5 s MET 57 Ca 0.05 -0.22 0.01 0.00 -1.25 0.00 0.00 55.69 54.27 1wf5 s MET 57 Cb -0.14 -3.07 0.04 0.00 1.25 0.00 0.00 34.83 32.91 1wf5 s MET 57 CO -0.04 0.73 -0.10 0.45 1.05 0.00 0.00 175.02 177.12 1wf5 s SER 58 N -0.92 3.38 0.00 1.11 0.15 -0.69 -1.62 113.70 115.11 1wf5 s SER 58 Ca 0.14 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 55.90 1wf5 s SER 58 Cb -0.12 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 1wf5 s SER 58 CO 0.03 -0.15 0.00 1.21 1.20 0.00 0.00 173.24 175.53 1wf5 n GLU 59 N 4.70 3.15 -2.20 5.44 2.13 -1.26 0.18 120.64 132.78 1wf5 n GLU 59 Ca -0.14 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.30 1wf5 n GLU 59 Cb 0.46 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.14 1wf5 n GLU 59 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1wf5 s ASN 60 N -1.17 5.54 -1.10 4.31 0.01 -1.18 -3.06 114.94 118.29 1wf5 s ASN 60 Ca 0.00 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 1wf5 s ASN 60 Cb 0.00 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.12 1wf5 s ASN 60 CO 0.00 -2.25 0.00 0.59 -1.51 0.00 0.00 177.10 173.93 1wf5 n ASN 61 N 11.88 -5.76 -4.80 -1.22 3.02 -1.26 -4.93 115.26 112.20 1wf5 n ASN 61 Ca 0.20 0.26 -0.35 0.00 -0.03 0.00 0.00 54.58 54.66 1wf5 n ASN 61 Cb 0.50 -4.18 -0.04 0.00 -0.61 0.00 0.00 39.78 35.46 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 -1.88 2.94 0.36 5.41 0.00 -1.17 -5.01 121.76 122.40 1wf5 s ALA 62 Ca 0.00 0.61 -0.26 0.00 0.00 0.00 0.00 51.96 52.31 1wf5 s ALA 62 Cb 0.00 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 1wf5 s ALA 62 CO 0.00 -0.25 1.06 -1.25 0.00 0.00 0.00 175.76 175.33 1wf5 s PRO 63 N -3.04 4.34 -0.42 0.00 0.04 -1.26 -4.22 135.00 130.44 1wf5 s PRO 63 Ca 0.64 1.61 -0.42 0.00 0.04 0.00 0.00 61.00 62.87 1wf5 s PRO 63 Cb -0.17 -2.78 -0.17 0.00 0.04 0.00 0.00 34.50 31.42 1wf5 s PRO 63 CO 0.21 -0.01 1.90 0.91 0.04 0.00 0.00 177.00 180.06 1wf5 n TRP 64 N 0.39 1.63 -3.99 0.56 7.02 -1.26 -4.76 117.44 117.03 1wf5 n TRP 64 Ca 0.03 0.73 -0.33 0.00 -1.02 0.00 0.00 57.50 56.90 1wf5 n TRP 64 Cb 0.48 -2.36 -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 4.80 2.57 -0.58 -0.99 -1.32 -0.64 -4.94 115.64 114.54 1wf5 s THR 65 Ca 1.09 -1.50 -0.28 0.00 -1.21 0.00 0.00 61.69 59.79 1wf5 s THR 65 Cb -1.28 -2.49 -0.11 0.00 -1.51 0.00 0.00 72.50 67.11 1wf5 s THR 65 CO 0.67 -0.06 2.46 0.52 -2.21 0.00 0.00 174.62 176.01 1wf5 n VAL 66 N 4.53 -0.04 0.01 5.08 0.31 -1.26 -1.97 118.33 125.00 1wf5 n VAL 66 Ca -0.14 -0.58 -0.02 0.00 -0.01 0.00 0.00 64.34 63.59 1wf5 n VAL 66 Cb 0.43 -2.22 -0.01 0.00 -0.91 0.00 0.00 33.84 31.12 1wf5 n VAL 66 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1wf5 h LEU 67 N 17.38 -0.11 -8.34 7.52 5.85 -1.29 -3.44 115.31 132.87 1wf5 h LEU 67 Ca -0.21 0.00 -0.68 0.00 0.84 0.00 0.00 57.88 57.84 1wf5 h LEU 67 Cb 1.28 0.03 -0.27 0.00 0.37 0.00 0.00 40.66 42.07 1wf5 h LEU 67 CO 1.19 0.29 -0.63 -0.76 -0.34 0.00 0.00 178.44 178.20 1wf5 s LEU 68 N -7.97 3.84 -0.14 2.25 1.43 -1.08 -4.95 118.68 112.07 1wf5 s LEU 68 Ca -0.02 -0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 52.18 1wf5 s LEU 68 Cb 0.00 -1.86 -0.25 0.00 0.03 0.00 0.00 46.19 44.12 1wf5 s LEU 68 CO 0.06 -0.20 0.37 0.00 0.23 0.00 0.00 176.35 176.81 1wf5 h ALA 69 N 8.21 0.34 -2.41 4.21 0.00 -1.85 0.00 119.26 127.77 1wf5 h ALA 69 Ca -0.30 -1.30 -0.74 0.00 0.00 0.00 0.00 54.91 52.57 1wf5 h ALA 69 Cb 1.12 0.67 -0.26 0.00 0.00 0.00 0.00 17.79 19.33 1wf5 h ALA 69 CO 0.60 1.08 -0.34 0.45 0.00 0.00 0.00 179.25 181.04 1wf5 s SER 70 N -7.01 5.96 0.14 0.00 0.15 -1.26 -4.29 113.70 107.39 1wf5 s SER 70 Ca -0.23 -1.63 0.09 0.00 0.70 0.00 0.00 55.95 54.88 1wf5 s SER 70 Cb 0.06 -2.12 -0.04 0.00 -1.71 0.00 0.00 66.02 62.22 1wf5 s SER 70 CO 0.73 -0.70 -0.22 -0.69 1.20 0.00 0.00 173.24 173.56 1wf5 s VAL 71 N 1.53 1.96 0.20 4.45 1.01 -1.20 -4.92 120.40 123.43 1wf5 s VAL 71 Ca 0.04 -1.79 -0.30 0.00 0.00 0.00 0.00 61.98 59.93 1wf5 s VAL 71 Cb -0.26 -1.83 -0.09 0.00 0.00 0.00 0.00 36.38 34.20 1wf5 s VAL 71 CO 0.03 -0.12 1.32 -1.81 0.00 0.00 0.00 175.10 174.52 1wf5 s ASP 72 N -2.31 6.87 0.36 3.32 1.01 -1.26 -2.88 116.67 121.78 1wf5 s ASP 72 Ca 0.13 2.42 0.19 0.00 0.71 0.00 0.00 52.55 56.00 1wf5 s ASP 72 Cb -0.08 -2.61 0.52 0.00 1.01 0.00 0.00 42.92 41.76 1wf5 s ASP 72 CO 0.06 -0.55 1.65 1.55 0.21 0.00 0.00 175.17 178.10 1wf5 h PRO 73 N 5.40 0.00 -0.74 8.23 0.13 -1.89 -2.76 132.00 140.37 1wf5 h PRO 73 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.78 0.37 0.00 1.63 -0.23 0.00 0.00 178.00 180.54 1wf5 n LYS 74 N -3.37 3.07 -4.94 0.86 4.76 -1.26 -4.83 118.16 112.45 1wf5 n LYS 74 Ca 0.01 -1.72 -0.33 0.00 -2.87 0.00 0.00 58.31 53.40 1wf5 n LYS 74 Cb 0.57 -1.88 -0.14 0.00 -1.84 0.00 0.00 35.03 31.74 1wf5 n LYS 74 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wf5 s ALA 75 N -1.94 2.56 -0.12 7.82 0.00 -1.04 -4.99 121.76 124.06 1wf5 s ALA 75 Ca 0.30 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1wf5 s ALA 75 Cb 0.22 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.40 1wf5 s ALA 75 CO 0.10 0.47 0.53 0.25 0.00 0.00 0.00 175.76 177.10 1wf5 n THR 76 N 2.65 0.00 -3.94 0.00 -2.24 -1.26 -4.92 114.28 104.57 1wf5 n THR 76 Ca -0.17 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.01 1wf5 n THR 76 Cb 0.52 1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.09 0.16 0.05 3.42 1.04 -1.26 0.94 113.70 117.97 1wf5 s SER 77 Ca 0.01 -0.40 -0.11 0.00 0.48 0.00 0.00 55.95 55.93 1wf5 s SER 77 Cb 0.01 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.29 1wf5 s SER 77 CO 0.01 -0.35 0.23 0.54 0.98 0.00 0.00 173.24 174.66 1wf5 s VAL 78 N -1.57 0.11 -0.11 5.02 0.11 0.92 -4.96 120.40 119.92 1wf5 s VAL 78 Ca -0.14 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.04 1wf5 s VAL 78 Cb -0.08 -1.01 -0.02 0.00 -1.53 0.00 0.00 36.38 33.74 1wf5 s VAL 78 CO -0.00 -0.48 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.27 1wf5 s THR 79 N -2.87 3.11 -0.44 5.04 2.01 -1.26 0.13 115.64 121.37 1wf5 s THR 79 Ca -0.03 -0.65 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 1wf5 s THR 79 Cb 0.00 -2.29 0.11 0.00 0.01 0.00 0.00 72.50 70.33 1wf5 s THR 79 CO -0.05 0.54 0.27 -0.69 -0.69 0.00 0.00 174.62 173.99 1wf5 s VAL 80 N 0.10 3.76 -0.04 3.82 1.01 -0.45 -4.92 120.40 123.67 1wf5 s VAL 80 Ca -0.06 -1.89 -0.01 0.00 0.00 0.00 0.00 61.98 60.03 1wf5 s VAL 80 Cb -0.15 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1wf5 s VAL 80 CO 0.04 -0.71 0.04 -0.54 0.00 0.00 0.00 175.10 173.93 1wf5 s LYS 81 N 1.26 2.99 0.00 2.72 1.02 -1.26 -1.86 119.74 124.62 1wf5 s LYS 81 Ca 0.07 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 55.59 1wf5 s LYS 81 Cb -0.24 -2.81 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1wf5 s LYS 81 CO -0.02 0.67 0.00 0.41 -0.92 0.00 0.00 175.35 175.49 1wf5 n GLY 82 N 1.60 1.22 3.48 -3.33 0.00 -0.96 -5.02 105.19 102.18 1wf5 n GLY 82 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1wf5 n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wf5 n LEU 83 N 0.00 0.79 -4.88 0.99 4.32 -1.25 -4.98 117.00 111.99 1wf5 n LEU 83 Ca 0.00 0.41 -0.35 0.00 -0.02 0.00 0.00 56.01 56.05 1wf5 n LEU 83 Cb 0.00 -1.27 -0.06 0.00 -1.62 0.00 0.00 43.42 40.48 1wf5 n LEU 83 CO 0.00 -3.20 -0.17 -0.69 -1.22 0.00 0.00 177.39 172.11 1wf5 s VAL 84 N -2.30 5.43 0.29 4.08 1.01 -1.26 -4.80 120.40 122.84 1wf5 s VAL 84 Ca 0.61 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.32 1wf5 s VAL 84 Cb -0.25 -3.44 -0.09 0.00 0.00 0.00 0.00 36.38 32.60 1wf5 s VAL 84 CO 0.63 0.48 1.08 -2.16 0.00 0.00 0.00 175.10 175.13 1wf5 s PRO 85 N -1.46 4.62 -0.52 2.72 0.04 -1.26 -3.61 135.00 135.53 1wf5 s PRO 85 Ca 0.21 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.98 1wf5 s PRO 85 Cb -0.12 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1wf5 s PRO 85 CO 0.11 0.21 0.44 0.00 0.04 0.00 0.00 177.00 177.80 1wf5 n ALA 86 N 1.10 -0.71 -3.29 8.56 0.00 -1.17 -4.78 120.51 120.22 1wf5 n ALA 86 Ca -0.01 0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.35 1wf5 n ALA 86 Cb 0.45 -1.79 -0.09 0.00 0.00 0.00 0.00 19.45 18.02 1wf5 n ALA 86 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wf5 s ARG 87 N -4.95 0.65 0.18 0.00 0.52 -1.24 -4.95 118.95 109.17 1wf5 s ARG 87 Ca 0.10 0.09 -0.14 0.00 -0.52 0.00 0.00 55.73 55.25 1wf5 s ARG 87 Cb -0.04 0.30 -0.07 0.00 0.52 0.00 0.00 34.95 35.66 1wf5 s ARG 87 CO 0.30 -0.16 0.58 -1.12 0.02 0.00 0.00 175.30 174.92 1wf5 s SER 88 N -0.84 6.82 -0.03 0.23 0.01 -1.26 0.11 113.70 118.74 1wf5 s SER 88 Ca -0.09 1.10 -0.07 0.00 1.31 0.00 0.00 55.95 58.20 1wf5 s SER 88 Cb -0.04 -2.30 0.01 0.00 0.21 0.00 0.00 66.02 63.90 1wf5 s SER 88 CO 0.04 0.05 0.16 -0.31 0.41 0.00 0.00 173.24 173.59 1wf5 s TYR 89 N -1.55 -0.06 0.33 2.43 2.02 0.12 -3.10 117.35 117.53 1wf5 s TYR 89 Ca 0.41 0.13 0.07 0.00 -0.37 0.00 0.00 57.07 57.31 1wf5 s TYR 89 Cb -0.14 0.00 -0.07 0.00 -0.40 0.00 0.00 41.96 41.36 1wf5 s TYR 89 CO 0.20 -0.22 -0.04 -0.65 -1.57 0.00 0.00 175.55 173.26 1wf5 s GLN 90 N -0.81 1.73 -0.06 -0.62 -0.21 0.48 -2.60 119.66 117.56 1wf5 s GLN 90 Ca -0.09 -1.91 -0.14 0.00 0.02 0.00 0.00 55.36 53.24 1wf5 s GLN 90 Cb -0.05 -1.39 0.03 0.00 1.00 0.00 0.00 33.01 32.60 1wf5 s GLN 90 CO 0.01 0.03 0.33 -0.06 -2.12 0.00 0.00 175.29 173.48 1wf5 s PHE 91 N -2.86 -0.27 -0.30 0.91 0.08 -1.26 -1.71 117.98 112.57 1wf5 s PHE 91 Ca 0.32 0.56 -0.08 0.00 0.12 0.00 0.00 56.93 57.86 1wf5 s PHE 91 Cb 0.05 0.12 0.19 0.00 -0.57 0.00 0.00 43.02 42.80 1wf5 s PHE 91 CO 0.15 -0.31 0.93 -0.98 -0.10 0.00 0.00 175.22 174.92 1wf5 s ARG 92 N -0.68 0.26 0.38 0.44 1.70 -0.24 -2.54 118.95 118.27 1wf5 s ARG 92 Ca -0.08 0.35 0.07 0.00 -0.47 0.00 0.00 55.73 55.60 1wf5 s ARG 92 Cb -0.04 0.18 -0.00 0.00 -0.57 0.00 0.00 34.95 34.52 1wf5 s ARG 92 CO 0.03 -0.41 0.51 -0.48 -1.08 0.00 0.00 175.30 173.87 1wf5 s LEU 93 N 2.93 3.76 0.32 -1.89 2.34 -1.26 -1.37 118.68 123.50 1wf5 s LEU 93 Ca 0.15 -0.35 0.03 0.00 0.06 0.00 0.00 54.13 54.02 1wf5 s LEU 93 Cb -0.07 -2.65 -0.04 0.00 -0.56 0.00 0.00 46.19 42.87 1wf5 s LEU 93 CO -0.19 -0.61 0.14 0.00 -1.06 0.00 0.00 176.35 174.62 1wf5 s ALA 95 N -3.54 3.59 -0.04 0.00 0.00 -1.23 -3.48 121.76 117.07 1wf5 s ALA 95 Ca 0.34 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.60 1wf5 s ALA 95 Cb 0.05 -1.91 0.02 0.00 0.00 0.00 0.00 23.12 21.28 1wf5 s ALA 95 CO 0.17 0.39 -0.04 0.08 0.00 0.00 0.00 175.76 176.35 1wf5 s VAL 96 N -0.31 0.49 0.15 0.00 1.01 -0.78 -0.84 120.40 120.12 1wf5 s VAL 96 Ca 0.10 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.99 1wf5 s VAL 96 Cb -0.12 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1wf5 s VAL 96 CO 0.01 0.20 0.12 -0.46 0.00 0.00 0.00 175.10 174.97 1wf5 n ASN 97 N 3.88 -0.17 -0.08 3.32 0.23 -0.94 0.68 115.26 122.19 1wf5 n ASN 97 Ca -0.24 -1.96 -0.06 0.00 -0.53 0.00 0.00 54.58 51.78 1wf5 n ASN 97 Cb 0.52 0.71 -0.00 0.00 -2.08 0.00 0.00 39.78 38.92 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 0.88 -0.39 -0.63 0.53 2.03 -1.91 -1.16 116.42 115.76 1wf5 h ASP 98 Ca -0.11 0.11 0.12 0.00 -0.73 0.00 0.00 57.03 56.42 1wf5 h ASP 98 Cb 0.53 0.23 -0.12 0.00 -0.83 0.00 0.00 39.33 39.14 1wf5 h ASP 98 CO 0.16 -0.14 -0.23 -0.37 -1.03 0.00 0.00 179.24 177.63 1wf5 h VAL 99 N -0.05 0.27 0.00 4.15 -1.51 -1.92 -3.47 116.25 113.72 1wf5 h VAL 99 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.63 1wf5 h VAL 99 Cb 0.29 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 29.72 1wf5 h VAL 99 CO -0.35 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.60 1wf5 n GLY 100 N -1.45 -0.66 3.80 5.19 0.00 -0.44 -5.05 105.19 106.59 1wf5 n GLY 100 Ca 0.07 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 1wf5 n GLY 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wf5 s LYS 101 N -1.98 3.45 0.00 1.61 2.20 -1.26 -2.22 119.74 121.55 1wf5 s LYS 101 Ca 0.00 1.27 0.00 0.00 -0.36 0.00 0.00 55.97 56.88 1wf5 s LYS 101 Cb 0.00 -2.05 0.00 0.00 -1.51 0.00 0.00 37.83 34.27 1wf5 s LYS 101 CO 0.00 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 174.69 1wf5 n GLY 102 N -0.73 0.46 3.27 5.54 0.00 -0.02 -4.72 105.19 108.99 1wf5 n GLY 102 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 1.11 0.78 0.72 1.61 -2.07 -1.24 -4.97 119.66 115.60 1wf5 s GLN 103 Ca 0.00 -0.32 -0.06 0.00 -1.82 0.00 0.00 55.36 53.16 1wf5 s GLN 103 Cb 0.00 0.34 0.09 0.00 -1.09 0.00 0.00 33.01 32.35 1wf5 s GLN 103 CO 0.00 -0.24 1.02 -0.06 -1.32 0.00 0.00 175.29 174.69 1wf5 s PHE 104 N -1.98 2.49 0.33 9.60 0.40 -1.26 -3.47 117.98 124.09 1wf5 s PHE 104 Ca -0.09 0.23 0.04 0.00 -0.60 0.00 0.00 56.93 56.51 1wf5 s PHE 104 Cb -0.03 -3.21 -0.02 0.00 0.51 0.00 0.00 43.02 40.28 1wf5 s PHE 104 CO 0.01 -1.55 0.48 -1.54 0.70 0.00 0.00 175.22 173.32 1wf5 s SER 105 N -4.59 6.09 1.01 1.36 1.04 -0.39 -4.68 113.70 113.54 1wf5 s SER 105 Ca 0.63 0.04 -0.11 0.00 0.48 0.00 0.00 55.95 56.99 1wf5 s SER 105 Cb -0.09 -1.56 0.20 0.00 0.10 0.00 0.00 66.02 64.67 1wf5 s SER 105 CO 0.45 -0.35 1.10 -0.54 0.98 0.00 0.00 173.24 174.87 1wf5 s LYS 106 N -4.20 0.30 -0.24 4.02 3.01 -1.26 -4.70 119.74 116.67 1wf5 s LYS 106 Ca 0.42 1.26 -0.29 0.00 -1.01 0.00 0.00 55.97 56.35 1wf5 s LYS 106 Cb -0.09 -1.66 -0.03 0.00 -1.01 0.00 0.00 37.83 35.03 1wf5 s LYS 106 CO 0.32 -3.03 1.70 0.16 0.51 0.00 0.00 175.35 175.01 1wf5 s ASP 107 N -2.64 6.21 0.52 2.83 -4.77 -1.26 -4.67 116.67 112.89 1wf5 s ASP 107 Ca 0.67 1.57 -0.21 0.00 -3.30 0.00 0.00 52.55 51.28 1wf5 s ASP 107 Cb -0.23 -2.53 -0.08 0.00 -1.09 0.00 0.00 42.92 38.99 1wf5 s ASP 107 CO 0.60 -1.40 0.97 0.35 0.70 0.00 0.00 175.17 176.39 1wf5 n THR 108 N 6.72 3.03 -1.40 2.11 -2.24 -1.05 -4.71 114.28 116.73 1wf5 n THR 108 Ca 0.20 -0.50 -0.55 0.00 -2.27 0.00 0.00 64.05 60.94 1wf5 n THR 108 Cb 0.45 -1.15 -0.08 0.00 -2.10 0.00 0.00 70.33 67.46 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 -0.43 0.00 -1.22 -0.78 2.13 -1.26 -4.36 120.64 114.72 1wf5 n GLU 109 Ca 0.11 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.65 1wf5 n GLU 109 Cb 0.44 -1.26 -0.14 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 2.70 0.00 -3.07 5.31 0.63 -1.26 -4.80 116.66 116.16 1wf5 n ARG 110 Ca 0.23 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.75 1wf5 n ARG 110 Cb -0.01 -1.08 -0.06 0.00 0.45 0.00 0.00 32.46 31.75 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 4.88 4.89 0.06 5.15 1.01 -1.07 -4.96 120.40 130.36 1wf5 s VAL 111 Ca 1.10 0.88 0.01 0.00 0.00 0.00 0.00 61.98 63.96 1wf5 s VAL 111 Cb -0.91 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 31.37 1wf5 s VAL 111 CO 0.42 -0.21 0.18 -0.55 0.00 0.00 0.00 175.10 174.95 1wf5 s SER 112 N 1.67 6.19 0.37 3.32 0.15 -1.26 0.14 113.70 124.28 1wf5 s SER 112 Ca 0.27 0.21 -0.15 0.00 0.70 0.00 0.00 55.95 56.98 1wf5 s SER 112 Cb -0.15 -1.86 -0.08 0.00 -1.71 0.00 0.00 66.02 62.21 1wf5 s SER 112 CO 0.13 0.17 0.78 -0.76 1.20 0.00 0.00 173.24 174.76 1wf5 s LEU 113 N -2.49 3.96 -0.32 3.45 2.01 0.31 -4.94 118.68 120.66 1wf5 s LEU 113 Ca 0.34 1.31 -0.29 0.00 0.01 0.00 0.00 54.13 55.50 1wf5 s LEU 113 Cb -0.13 -4.14 0.00 0.00 0.01 0.00 0.00 46.19 41.93 1wf5 s LEU 113 CO 0.27 -0.29 1.36 -2.16 1.01 0.00 0.00 176.35 176.53 1wf5 s PRO 114 N -3.28 3.82 0.31 1.29 0.04 -1.26 -3.06 135.00 132.86 1wf5 s PRO 114 Ca 0.55 1.21 0.17 0.00 0.04 0.00 0.00 61.00 62.97 1wf5 s PRO 114 Cb -0.10 -3.93 1.14 0.00 0.04 0.00 0.00 34.50 31.64 1wf5 s PRO 114 CO 0.21 -1.25 1.35 -1.91 0.04 0.00 0.00 177.00 175.44 1wf5 n GLU 115 N 7.54 -0.05 0.00 4.56 2.13 -1.26 -3.63 120.64 129.93 1wf5 n GLU 115 Ca 0.16 1.18 0.00 0.00 0.66 0.00 0.00 57.16 59.16 1wf5 n GLU 115 Cb 0.47 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 30.06 1wf5 n GLU 115 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1wf5 n SER 116 N -4.94 0.00 -4.88 4.31 2.88 -1.26 -4.34 113.62 105.39 1wf5 n SER 116 Ca 0.32 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.65 1wf5 n SER 116 Cb 1.09 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.61 1wf5 n SER 116 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wf5 s GLY 117 N 0.00 1.80 -0.08 0.46 0.00 -1.26 -5.04 107.32 103.20 1wf5 s GLY 117 Ca 0.00 -1.55 -0.27 0.00 0.00 0.00 0.00 44.72 42.90 1wf5 s GLY 117 CO 0.00 -1.16 1.02 -0.56 0.00 0.00 0.00 173.10 172.40 1wf5 h PRO 118 N -0.09 0.03 -1.41 2.90 0.13 -2.02 -3.44 132.00 128.10 1wf5 h PRO 118 Ca -0.39 -0.03 -0.16 0.00 -0.87 0.00 0.00 66.00 64.56 1wf5 h PRO 118 Cb 1.29 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 32.18 1wf5 h PRO 118 CO 0.47 0.77 -0.52 0.45 -0.23 0.00 0.00 178.00 178.94 1wf5 s SER 119 N -6.01 -0.40 0.55 1.44 0.15 -1.26 -5.14 113.70 103.02 1wf5 s SER 119 Ca -0.17 -0.75 -0.21 0.00 0.70 0.00 0.00 55.95 55.52 1wf5 s SER 119 Cb -0.00 1.41 -0.05 0.00 -1.71 0.00 0.00 66.02 65.67 1wf5 s SER 119 CO 0.69 -0.26 1.33 -0.55 1.20 0.00 0.00 173.24 175.66 1wf5 s SER 120 N 2.05 5.29 0.00 5.45 0.15 -1.26 -5.26 113.70 120.13 1wf5 s SER 120 Ca 0.14 2.70 0.00 0.00 0.70 0.00 0.00 55.95 59.49 1wf5 s SER 120 Cb -0.10 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 1wf5 s SER 120 CO -0.14 -1.55 0.29 0.61 1.20 0.00 0.00 173.24 173.64