#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 1.65 -0.14 1.61 0.01 -1.26 -5.16 113.70 110.42 1wf5 s SER 2 Ca 0.00 -1.42 -0.06 0.00 1.31 0.00 0.00 55.95 55.78 1wf5 s SER 2 Cb 0.00 0.14 0.06 0.00 0.21 0.00 0.00 66.02 66.43 1wf5 s SER 2 CO 0.00 -0.73 0.30 -0.55 0.41 0.00 0.00 173.24 172.68 1wf5 s SER 3 N -3.39 -0.14 0.00 2.44 0.15 -1.26 -5.10 113.70 106.41 1wf5 s SER 3 Ca 0.36 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.69 1wf5 s SER 3 Cb 0.07 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 1wf5 s SER 3 CO 0.15 -0.20 0.09 0.61 1.20 0.00 0.00 173.24 175.09 1wf5 n GLY 4 N 4.69 -0.12 2.22 9.45 0.00 -1.26 -5.05 105.19 115.13 1wf5 n GLY 4 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1wf5 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wf5 n SER 5 N -0.21 -8.90 -4.61 1.61 7.64 -1.26 -5.02 113.62 102.88 1wf5 n SER 5 Ca 0.00 1.69 -0.32 0.00 1.01 0.00 0.00 58.87 61.25 1wf5 n SER 5 Cb 0.00 -4.83 -0.10 0.00 -1.01 0.00 0.00 64.21 58.27 1wf5 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wf5 s SER 6 N -0.54 4.68 0.00 6.43 0.01 -1.26 -5.07 113.70 117.95 1wf5 s SER 6 Ca 0.00 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1wf5 s SER 6 Cb 0.00 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 65.14 1wf5 s SER 6 CO 0.00 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.53 1wf5 n GLY 7 N 1.40 -0.20 1.34 3.44 0.00 -1.26 -5.09 105.19 104.82 1wf5 n GLY 7 Ca -0.15 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.03 1wf5 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wf5 n ARG 8 N -1.91 -2.83 -4.16 1.61 1.74 -1.26 -4.88 116.66 104.97 1wf5 n ARG 8 Ca 0.00 2.21 -0.32 0.00 -0.77 0.00 0.00 57.85 58.97 1wf5 n ARG 8 Cb 0.00 -3.42 -0.08 0.00 -1.02 0.00 0.00 32.46 27.94 1wf5 n ARG 8 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wf5 s SER 9 N -6.82 5.34 -0.15 0.55 0.01 -1.26 -5.10 113.70 106.27 1wf5 s SER 9 Ca 0.00 0.01 -0.34 0.00 1.31 0.00 0.00 55.95 56.93 1wf5 s SER 9 Cb 0.00 -1.42 0.13 0.00 0.21 0.00 0.00 66.02 64.94 1wf5 s SER 9 CO 0.00 0.24 1.22 0.00 0.41 0.00 0.00 173.24 175.11 1wf5 s ALA 10 N -1.22 -2.10 0.09 1.44 0.00 -1.26 -5.19 121.76 113.52 1wf5 s ALA 10 Ca 0.23 1.38 0.02 0.00 0.00 0.00 0.00 51.96 53.59 1wf5 s ALA 10 Cb -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1wf5 s ALA 10 CO 0.15 -0.70 0.07 -2.39 0.00 0.00 0.00 175.76 172.88 1wf5 n HIS 11 N -0.19 -0.17 -2.29 0.00 1.44 -1.26 -5.09 115.22 107.67 1wf5 n HIS 11 Ca -0.02 -0.73 0.15 0.00 -2.01 0.00 0.00 57.72 55.12 1wf5 n HIS 11 Cb 0.59 0.06 -0.04 0.00 0.12 0.00 0.00 29.99 30.73 1wf5 n HIS 11 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1wf5 n LEU 12 N 0.00 0.00 -4.48 2.39 4.77 -1.26 -4.52 117.00 113.90 1wf5 n LEU 12 Ca 0.01 1.21 -0.52 0.00 -0.03 0.00 0.00 56.01 56.68 1wf5 n LEU 12 Cb 0.16 -3.39 -0.07 0.00 -2.33 0.00 0.00 43.42 37.78 1wf5 n LEU 12 CO 0.08 -2.56 1.71 0.54 -1.33 0.00 0.00 177.39 175.83 1wf5 n ARG 13 N -3.75 1.08 -3.69 3.23 1.74 -1.26 -4.91 116.66 109.10 1wf5 n ARG 13 Ca 0.01 0.32 -0.36 0.00 -0.77 0.00 0.00 57.85 57.05 1wf5 n ARG 13 Cb 0.51 -2.36 -0.09 0.00 -1.02 0.00 0.00 32.46 29.50 1wf5 n ARG 13 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wf5 s VAL 14 N 6.50 5.35 -0.86 1.55 0.11 -1.26 -5.03 120.40 126.76 1wf5 s VAL 14 Ca 1.08 0.17 -0.22 0.00 -2.93 0.00 0.00 61.98 60.08 1wf5 s VAL 14 Cb -0.92 -3.48 0.07 0.00 -1.53 0.00 0.00 36.38 30.53 1wf5 s VAL 14 CO 0.53 0.38 1.21 -0.13 -3.33 0.00 0.00 175.10 173.76 1wf5 s ARG 15 N 0.82 3.41 0.56 1.54 0.52 -1.26 -4.24 118.95 120.30 1wf5 s ARG 15 Ca 0.08 -1.09 0.07 0.00 -0.52 0.00 0.00 55.73 54.27 1wf5 s ARG 15 Cb -0.13 -4.75 0.06 0.00 0.52 0.00 0.00 34.95 30.65 1wf5 s ARG 15 CO 0.02 -1.98 0.58 1.14 0.02 0.00 0.00 175.30 175.08 1wf5 s GLN 16 N 4.23 2.28 0.15 3.54 0.00 -1.09 -4.98 119.66 123.78 1wf5 s GLN 16 Ca 0.34 -1.85 -0.24 0.00 -0.00 0.00 0.00 55.36 53.62 1wf5 s GLN 16 Cb -0.07 -2.35 -0.08 0.00 0.00 0.00 0.00 33.01 30.52 1wf5 s GLN 16 CO -0.01 -0.73 0.73 -0.51 0.00 0.00 0.00 175.29 174.78 1wf5 s LEU 17 N -4.45 4.57 0.73 2.60 1.43 -1.26 -3.89 118.68 118.41 1wf5 s LEU 17 Ca 0.47 1.56 -0.11 0.00 -1.03 0.00 0.00 54.13 55.02 1wf5 s LEU 17 Cb -0.04 -3.23 0.03 0.00 0.03 0.00 0.00 46.19 42.98 1wf5 s LEU 17 CO 0.29 0.22 1.07 -2.16 0.23 0.00 0.00 176.35 176.00 1wf5 s PRO 18 N -1.18 2.61 0.34 1.29 0.04 -1.26 -4.52 135.00 132.32 1wf5 s PRO 18 Ca 0.35 0.83 0.07 0.00 0.04 0.00 0.00 61.00 62.29 1wf5 s PRO 18 Cb -0.22 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1wf5 s PRO 18 CO 0.25 -1.30 0.46 -1.01 0.04 0.00 0.00 177.00 175.44 1wf5 s HIS 19 N -3.09 3.08 0.94 0.56 3.76 -1.13 -3.87 115.29 115.55 1wf5 s HIS 19 Ca 0.59 -0.23 -0.11 0.00 -0.15 0.00 0.00 55.06 55.15 1wf5 s HIS 19 Cb -0.14 -1.99 0.16 0.00 1.11 0.00 0.00 32.58 31.71 1wf5 s HIS 19 CO 0.55 -0.01 1.09 0.00 -0.85 0.00 0.00 174.74 175.52 1wf5 s ALA 20 N -2.19 1.21 0.78 -1.40 0.00 -1.21 -4.20 121.76 114.75 1wf5 s ALA 20 Ca 0.45 0.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.44 1wf5 s ALA 20 Cb -0.09 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 19.80 1wf5 s ALA 20 CO 0.31 -2.69 1.09 -1.25 0.00 0.00 0.00 175.76 173.22 1wf5 s PRO 21 N -4.76 2.22 0.53 0.00 0.04 -1.26 -4.67 135.00 127.09 1wf5 s PRO 21 Ca 0.65 0.68 0.02 0.00 0.04 0.00 0.00 61.00 62.39 1wf5 s PRO 21 Cb -0.21 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1wf5 s PRO 21 CO 0.59 -1.54 0.09 -1.21 0.04 0.00 0.00 177.00 174.97 1wf5 s GLU 22 N -5.14 2.22 -1.25 4.56 2.02 -1.23 -4.50 118.70 115.38 1wf5 s GLU 22 Ca 0.60 -2.35 -0.15 0.00 0.02 0.00 0.00 54.97 53.10 1wf5 s GLU 22 Cb -0.14 -1.64 0.02 0.00 0.10 0.00 0.00 34.13 32.47 1wf5 s GLU 22 CO 0.54 -0.45 0.27 1.58 0.02 0.00 0.00 175.26 177.23 1wf5 n HIS 23 N -1.40 -1.17 -2.32 1.61 -0.00 -1.26 0.26 115.22 110.95 1wf5 n HIS 23 Ca -0.17 0.31 -0.35 0.00 0.46 0.00 0.00 57.72 57.98 1wf5 n HIS 23 Cb 0.66 -2.48 -0.03 0.00 -0.12 0.00 0.00 29.99 28.02 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 -7.08 3.18 -0.15 1.57 0.04 -1.26 -3.84 135.00 127.46 1wf5 s PRO 24 Ca 0.20 -1.21 -0.12 0.00 0.04 0.00 0.00 61.00 59.91 1wf5 s PRO 24 Cb -0.11 -5.32 -0.05 0.00 0.04 0.00 0.00 34.50 29.06 1wf5 s PRO 24 CO 0.89 -2.97 0.25 0.08 0.04 0.00 0.00 177.00 175.29 1wf5 s VAL 25 N 7.54 5.33 -0.23 -0.36 1.01 0.18 -4.17 120.40 129.70 1wf5 s VAL 25 Ca 0.60 0.46 -0.02 0.00 0.00 0.00 0.00 61.98 63.02 1wf5 s VAL 25 Cb -0.00 -3.58 0.07 0.00 0.00 0.00 0.00 36.38 32.87 1wf5 s VAL 25 CO 0.04 0.44 0.04 0.00 0.00 0.00 0.00 175.10 175.62 1wf5 s ALA 26 N 0.12 1.22 0.16 5.51 0.00 -1.26 -0.35 121.76 127.17 1wf5 s ALA 26 Ca 0.15 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 51.16 1wf5 s ALA 26 Cb -0.13 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 1wf5 s ALA 26 CO 0.04 -1.31 -0.13 0.95 0.00 0.00 0.00 175.76 175.31 1wf5 s THR 27 N 1.76 1.43 1.00 0.00 -4.23 -0.98 -4.50 115.64 110.11 1wf5 s THR 27 Ca 0.01 -2.04 -0.18 0.00 -1.18 0.00 0.00 61.69 58.30 1wf5 s THR 27 Cb -0.17 -1.85 0.04 0.00 1.34 0.00 0.00 72.50 71.86 1wf5 s THR 27 CO -0.13 -0.61 -0.29 0.18 -0.54 0.00 0.00 174.62 173.24 1wf5 n LEU 28 N -0.10 -2.17 -0.07 4.79 4.77 -1.26 0.26 117.00 123.23 1wf5 n LEU 28 Ca -0.11 -0.17 -0.06 0.00 -0.03 0.00 0.00 56.01 55.64 1wf5 n LEU 28 Cb 0.60 -0.74 -0.13 0.00 -2.33 0.00 0.00 43.42 40.82 1wf5 n LEU 28 CO 0.32 -2.89 -0.98 -0.24 -1.33 0.00 0.00 177.39 172.27 1wf5 n SER 29 N 0.15 1.08 -2.41 -1.43 2.88 -0.95 -2.84 113.62 110.10 1wf5 n SER 29 Ca 0.02 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.43 1wf5 n SER 29 Cb 0.51 0.99 -0.01 0.00 -0.75 0.00 0.00 64.21 64.96 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 -2.53 -0.59 0.09 2.46 -2.24 -1.26 -4.52 114.28 105.68 1wf5 n THR 30 Ca -0.23 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1wf5 n THR 30 Cb 0.95 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 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 -3.38 0.00 -3.31 2.28 0.24 -1.26 -5.08 118.33 107.82 1wf5 n VAL 31 Ca -0.15 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.76 1wf5 n VAL 31 Cb 0.61 -0.24 -0.08 0.00 -1.47 0.00 0.00 33.84 32.66 1wf5 n VAL 31 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1wf5 s GLU 32 N -2.00 4.08 0.06 7.34 2.02 -1.26 -5.02 118.70 123.92 1wf5 s GLU 32 Ca 0.00 0.22 -0.35 0.00 0.02 0.00 0.00 54.97 54.86 1wf5 s GLU 32 Cb 0.00 -3.63 -0.14 0.00 0.10 0.00 0.00 34.13 30.46 1wf5 s GLU 32 CO 0.00 -0.26 1.58 0.54 0.02 0.00 0.00 175.26 177.14 1wf5 n ARG 33 N 5.24 1.79 -3.64 1.61 5.12 -1.26 -1.38 116.66 124.14 1wf5 n ARG 33 Ca -0.06 0.65 -0.21 0.00 -1.93 0.00 0.00 57.85 56.30 1wf5 n ARG 33 Cb 0.50 -2.39 0.04 0.00 -1.16 0.00 0.00 32.46 29.45 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 3.90 -4.68 -4.14 5.56 5.12 -1.26 -4.57 116.66 116.59 1wf5 n ARG 34 Ca 0.19 0.65 -0.11 0.00 -1.93 0.00 0.00 57.85 56.65 1wf5 n ARG 34 Cb 0.25 -5.22 -0.10 0.00 -1.16 0.00 0.00 32.46 26.23 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 -3.61 0.84 0.04 7.54 0.00 -0.48 -2.20 121.76 123.90 1wf5 s ALA 35 Ca 0.06 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 50.89 1wf5 s ALA 35 Cb -0.01 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 1wf5 s ALA 35 CO 0.80 -0.17 -0.11 0.42 0.00 0.00 0.00 175.76 176.70 1wf5 s ILE 36 N -2.95 0.85 -0.54 0.00 1.01 -0.75 -2.24 121.20 116.58 1wf5 s ILE 36 Ca 0.05 -1.04 -0.19 0.00 0.00 0.00 0.00 60.65 59.48 1wf5 s ILE 36 Cb 0.01 -0.83 0.08 0.00 0.01 0.00 0.00 42.46 41.73 1wf5 s ILE 36 CO -0.03 -0.18 0.63 0.21 0.00 0.00 0.00 174.94 175.57 1wf5 s ASN 37 N -1.36 6.20 -0.10 3.58 3.84 0.74 -1.19 114.94 126.66 1wf5 s ASN 37 Ca -0.03 -1.16 -0.23 0.00 0.21 0.00 0.00 52.86 51.64 1wf5 s ASN 37 Cb -0.09 -2.28 -0.03 0.00 -0.55 0.00 0.00 41.25 38.30 1wf5 s ASN 37 CO 0.01 -0.95 0.70 -0.22 -2.79 0.00 0.00 177.10 173.85 1wf5 s LEU 38 N 2.55 4.27 -0.03 3.21 1.98 0.36 -2.31 118.68 128.70 1wf5 s LEU 38 Ca 0.13 1.13 -0.01 0.00 -2.89 0.00 0.00 54.13 52.49 1wf5 s LEU 38 Cb -0.22 -3.07 0.03 0.00 0.66 0.00 0.00 46.19 43.59 1wf5 s LEU 38 CO 0.09 -0.18 0.03 0.42 -1.89 0.00 0.00 176.35 174.83 1wf5 s THR 39 N 1.14 -0.00 0.19 3.68 -4.23 0.52 -0.35 115.64 116.59 1wf5 s THR 39 Ca 0.36 0.26 -0.01 0.00 -1.18 0.00 0.00 61.69 61.13 1wf5 s THR 39 Cb -0.17 -0.17 -0.04 0.00 1.34 0.00 0.00 72.50 73.46 1wf5 s THR 39 CO 0.16 0.14 0.11 -1.66 -0.54 0.00 0.00 174.62 172.83 1wf5 s TRP 40 N 1.50 1.14 0.30 3.99 -2.14 0.10 0.52 118.94 124.35 1wf5 s TRP 40 Ca -0.03 -1.31 -0.02 0.00 2.66 0.00 0.00 56.10 57.39 1wf5 s TRP 40 Cb -0.13 -0.59 -0.04 0.00 -3.10 0.00 0.00 33.47 29.62 1wf5 s TRP 40 CO -0.03 -0.57 0.53 0.99 -2.66 0.00 0.00 176.95 175.21 1wf5 s THR 41 N -4.07 5.09 -0.39 0.66 2.01 0.14 -4.65 115.64 114.42 1wf5 s THR 41 Ca 0.35 -0.24 -0.29 0.00 0.31 0.00 0.00 61.69 61.82 1wf5 s THR 41 Cb 0.07 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.81 1wf5 s THR 41 CO 0.10 -0.41 1.24 -0.75 -0.69 0.00 0.00 174.62 174.10 1wf5 s LYS 42 N -3.87 3.79 1.04 4.92 2.36 -1.26 -3.51 119.74 123.22 1wf5 s LYS 42 Ca 0.41 0.91 -0.16 0.00 -2.55 0.00 0.00 55.97 54.58 1wf5 s LYS 42 Cb -0.10 -3.90 0.22 0.00 -1.05 0.00 0.00 37.83 32.99 1wf5 s LYS 42 CO 0.33 -1.29 1.20 -1.25 1.55 0.00 0.00 175.35 175.89 1wf5 s PRO 43 N 4.38 0.03 -0.11 4.03 0.04 -1.26 -4.92 135.00 137.20 1wf5 s PRO 43 Ca 0.53 -0.12 -0.24 0.00 0.04 0.00 0.00 61.00 61.21 1wf5 s PRO 43 Cb -0.12 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1wf5 s PRO 43 CO 0.27 -2.87 0.72 0.12 0.04 0.00 0.00 177.00 175.29 1wf5 s PHE 44 N -3.41 3.52 0.34 0.56 2.19 -1.26 -4.98 117.98 114.93 1wf5 s PHE 44 Ca 0.70 1.21 -0.08 0.00 0.33 0.00 0.00 56.93 59.10 1wf5 s PHE 44 Cb -0.08 -2.85 -0.06 0.00 -1.31 0.00 0.00 43.02 38.71 1wf5 s PHE 44 CO 0.54 -0.02 0.66 0.16 1.83 0.00 0.00 175.22 178.39 1wf5 s ASP 45 N 0.94 6.49 -1.58 6.13 -4.77 -1.26 -2.82 116.67 119.81 1wf5 s ASP 45 Ca 0.37 0.93 -0.10 0.00 -3.30 0.00 0.00 52.55 50.45 1wf5 s ASP 45 Cb -0.17 -2.24 -0.09 0.00 -1.09 0.00 0.00 42.92 39.33 1wf5 s ASP 45 CO 0.16 -0.29 2.96 0.61 0.70 0.00 0.00 175.17 179.31 1wf5 n GLY 46 N -1.06 4.19 4.64 2.12 0.00 -1.25 -4.62 105.19 109.20 1wf5 n GLY 46 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1wf5 n GLY 46 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wf5 n ASN 47 N 3.58 0.00 -4.87 1.61 2.85 -1.26 -2.66 115.26 114.50 1wf5 n ASN 47 Ca 0.77 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.93 1wf5 n ASN 47 Cb 0.24 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.21 1wf5 n ASN 47 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1wf5 s SER 48 N 0.00 6.62 0.09 1.20 0.01 -1.26 -5.04 113.70 115.32 1wf5 s SER 48 Ca 0.00 0.99 -0.30 0.00 1.31 0.00 0.00 55.95 57.95 1wf5 s SER 48 Cb 0.00 -2.26 -0.06 0.00 0.21 0.00 0.00 66.02 63.91 1wf5 s SER 48 CO 0.00 -0.15 1.15 -2.16 0.41 0.00 0.00 173.24 172.49 1wf5 s PRO 49 N -3.05 4.49 0.70 12.44 0.04 -1.26 -4.73 135.00 143.62 1wf5 s PRO 49 Ca 0.49 1.73 -0.16 0.00 0.04 0.00 0.00 61.00 63.09 1wf5 s PRO 49 Cb -0.11 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 1wf5 s PRO 49 CO 0.22 -0.15 0.55 1.28 0.04 0.00 0.00 177.00 178.95 1wf5 n LEU 50 N 3.47 0.97 -0.11 -3.56 7.99 -1.26 -4.60 117.00 119.90 1wf5 n LEU 50 Ca 0.07 0.62 -0.19 0.00 -0.01 0.00 0.00 56.01 56.50 1wf5 n LEU 50 Cb 0.47 -1.22 -0.08 0.00 -0.11 0.00 0.00 43.42 42.48 1wf5 n LEU 50 CO 0.55 -3.04 -0.80 -0.38 -1.51 0.00 0.00 177.39 172.21 1wf5 n ILE 51 N -2.28 1.50 -3.82 -0.08 5.41 0.49 -4.69 119.36 115.90 1wf5 n ILE 51 Ca 0.10 -0.06 -0.10 0.00 1.00 0.00 0.00 62.75 63.69 1wf5 n ILE 51 Cb 0.50 -2.11 0.00 0.00 -0.71 0.00 0.00 39.64 37.32 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 -4.42 0.81 -4.10 0.38 1.85 -0.77 -3.99 116.66 106.42 1wf5 n ARG 52 Ca -0.31 -2.14 -0.18 0.00 -1.00 0.00 0.00 57.85 54.22 1wf5 n ARG 52 Cb 0.64 2.37 -0.16 0.00 -1.05 0.00 0.00 32.46 34.26 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 -3.18 0.53 -0.57 2.89 1.51 -1.22 -1.23 117.35 116.08 1wf5 s TYR 53 Ca 0.19 -0.11 -0.18 0.00 -1.01 0.00 0.00 57.07 55.96 1wf5 s TYR 53 Cb -0.03 -0.47 0.11 0.00 -0.11 0.00 0.00 41.96 41.47 1wf5 s TYR 53 CO 0.14 -0.11 0.62 0.42 -1.11 0.00 0.00 175.55 175.51 1wf5 s ILE 54 N 0.58 4.97 -0.28 2.71 1.01 -1.24 -3.80 121.20 125.16 1wf5 s ILE 54 Ca -0.07 -1.18 -0.21 0.00 0.00 0.00 0.00 60.65 59.19 1wf5 s ILE 54 Cb -0.10 -4.43 -0.01 0.00 0.01 0.00 0.00 42.46 37.93 1wf5 s ILE 54 CO -0.00 -1.02 0.66 -0.22 0.00 0.00 0.00 174.94 174.36 1wf5 s LEU 55 N 2.26 4.09 -0.19 2.97 2.96 -0.69 -2.94 118.68 127.14 1wf5 s LEU 55 Ca 0.08 0.62 -0.04 0.00 -0.22 0.00 0.00 54.13 54.58 1wf5 s LEU 55 Cb -0.26 -2.88 -0.02 0.00 0.50 0.00 0.00 46.19 43.53 1wf5 s LEU 55 CO 0.05 -0.44 -0.04 -1.61 -1.32 0.00 0.00 176.35 172.99 1wf5 s GLU 56 N 2.61 3.50 -0.14 1.98 2.02 -0.58 -1.66 118.70 126.44 1wf5 s GLU 56 Ca 0.27 -0.58 -0.07 0.00 0.02 0.00 0.00 54.97 54.60 1wf5 s GLU 56 Cb -0.15 -2.97 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 1wf5 s GLU 56 CO 0.10 -0.01 0.12 1.41 0.02 0.00 0.00 175.26 176.90 1wf5 s MET 57 N 1.02 3.64 -0.32 1.61 -2.45 -0.89 -1.94 119.30 119.97 1wf5 s MET 57 Ca 0.01 -0.19 0.02 0.00 -1.25 0.00 0.00 55.69 54.27 1wf5 s MET 57 Cb -0.15 -3.22 0.10 0.00 1.25 0.00 0.00 34.83 32.81 1wf5 s MET 57 CO 0.01 0.61 0.06 0.45 1.05 0.00 0.00 175.02 177.19 1wf5 s SER 58 N -0.54 4.41 0.00 1.11 0.15 0.49 -1.72 113.70 117.60 1wf5 s SER 58 Ca 0.12 -1.87 0.00 0.00 0.70 0.00 0.00 55.95 54.90 1wf5 s SER 58 Cb -0.12 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 1wf5 s SER 58 CO 0.02 -0.38 0.00 1.21 1.20 0.00 0.00 173.24 175.29 1wf5 n GLU 59 N 4.51 2.36 -2.13 5.44 2.13 -1.26 -0.51 120.64 131.19 1wf5 n GLU 59 Ca 0.00 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.47 1wf5 n GLU 59 Cb 0.42 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.10 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 -1.90 5.39 -0.37 4.31 0.01 -1.20 -2.79 114.94 118.40 1wf5 s ASN 60 Ca 0.00 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.01 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 -2.38 0.00 -3.20 -1.51 0.00 0.00 177.10 170.01 1wf5 n ASN 61 N 12.54 -5.22 -4.78 -1.22 5.15 -1.26 -4.94 115.26 115.52 1wf5 n ASN 61 Ca 0.25 0.09 -0.36 0.00 -0.60 0.00 0.00 54.58 53.95 1wf5 n ASN 61 Cb 0.50 -3.03 -0.03 0.00 -0.53 0.00 0.00 39.78 36.69 1wf5 n ASN 61 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wf5 s ALA 62 N -1.53 3.01 0.42 5.20 0.00 -1.12 -5.01 121.76 122.74 1wf5 s ALA 62 Ca 0.00 0.74 -0.23 0.00 0.00 0.00 0.00 51.96 52.47 1wf5 s ALA 62 Cb 0.00 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 1wf5 s ALA 62 CO 0.00 -0.35 1.05 -1.25 0.00 0.00 0.00 175.76 175.21 1wf5 s PRO 63 N -2.69 4.08 -0.35 0.00 0.04 -1.26 -4.13 135.00 130.68 1wf5 s PRO 63 Ca 0.61 1.48 -0.37 0.00 0.04 0.00 0.00 61.00 62.76 1wf5 s PRO 63 Cb -0.23 -2.44 -0.13 0.00 0.04 0.00 0.00 34.50 31.74 1wf5 s PRO 63 CO 0.28 -0.21 2.10 0.91 0.04 0.00 0.00 177.00 180.11 1wf5 n TRP 64 N -0.28 1.64 -3.88 0.56 7.02 -1.26 -4.63 117.44 116.61 1wf5 n TRP 64 Ca 0.06 0.39 -0.36 0.00 -1.02 0.00 0.00 57.50 56.57 1wf5 n TRP 64 Cb 0.50 -2.49 -0.14 0.00 -2.42 0.00 0.00 31.31 26.77 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 6.36 3.32 -0.53 -0.99 -1.32 -0.70 -4.90 115.64 116.88 1wf5 s THR 65 Ca 1.09 -0.87 -0.27 0.00 -1.21 0.00 0.00 61.69 60.42 1wf5 s THR 65 Cb -0.99 -2.69 -0.09 0.00 -1.51 0.00 0.00 72.50 67.22 1wf5 s THR 65 CO 0.55 0.16 2.44 0.52 -2.21 0.00 0.00 174.62 176.07 1wf5 n VAL 66 N 4.75 -0.04 -0.05 5.08 0.31 -1.26 -2.09 118.33 125.03 1wf5 n VAL 66 Ca -0.16 -0.66 -0.02 0.00 -0.01 0.00 0.00 64.34 63.49 1wf5 n VAL 66 Cb 0.48 -2.46 -0.01 0.00 -0.91 0.00 0.00 33.84 30.94 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 18.12 0.00 -8.25 7.52 3.38 -1.68 -3.45 115.31 130.96 1wf5 h LEU 67 Ca -0.23 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.04 1wf5 h LEU 67 Cb 1.27 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.75 1wf5 h LEU 67 CO 1.17 0.50 -0.58 -0.76 0.09 0.00 0.00 178.44 178.86 1wf5 s LEU 68 N -7.54 4.40 -0.05 1.67 1.43 -1.13 -4.92 118.68 112.54 1wf5 s LEU 68 Ca -0.06 -1.09 0.13 0.00 -1.03 0.00 0.00 54.13 52.08 1wf5 s LEU 68 Cb 0.01 -1.91 -0.23 0.00 0.03 0.00 0.00 46.19 44.09 1wf5 s LEU 68 CO 0.09 -0.34 0.64 0.00 0.23 0.00 0.00 176.35 176.97 1wf5 n ALA 69 N 4.86 1.49 -3.71 4.21 0.00 -1.26 -1.70 120.51 124.39 1wf5 n ALA 69 Ca -0.12 -0.79 -0.37 0.00 0.00 0.00 0.00 53.44 52.16 1wf5 n ALA 69 Cb 0.45 -0.83 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 1wf5 n ALA 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wf5 s SER 70 N -6.07 5.34 0.13 0.00 0.15 -1.26 -4.52 113.70 107.47 1wf5 s SER 70 Ca -0.05 -1.96 0.08 0.00 0.70 0.00 0.00 55.95 54.72 1wf5 s SER 70 Cb 0.08 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.49 1wf5 s SER 70 CO 0.83 -0.56 -0.19 -0.69 1.20 0.00 0.00 173.24 173.83 1wf5 s VAL 71 N 1.19 1.69 0.23 4.45 1.01 -1.25 -4.96 120.40 122.77 1wf5 s VAL 71 Ca 0.07 -1.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.03 1wf5 s VAL 71 Cb -0.23 -1.66 -0.09 0.00 0.00 0.00 0.00 36.38 34.40 1wf5 s VAL 71 CO -0.03 -0.22 1.30 -1.81 0.00 0.00 0.00 175.10 174.34 1wf5 s ASP 72 N -2.30 6.90 0.22 3.32 1.11 -1.26 -3.40 116.67 121.26 1wf5 s ASP 72 Ca 0.10 2.45 0.09 0.00 0.18 0.00 0.00 52.55 55.37 1wf5 s ASP 72 Cb -0.08 -2.62 0.16 0.00 1.07 0.00 0.00 42.92 41.45 1wf5 s ASP 72 CO 0.05 -0.50 1.50 1.55 1.18 0.00 0.00 175.17 178.94 1wf5 h PRO 73 N 4.90 0.00 -0.37 8.23 0.13 -1.84 -2.76 132.00 140.29 1wf5 h PRO 73 Ca -0.46 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1wf5 h PRO 73 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wf5 h PRO 73 CO 0.74 0.75 0.00 1.63 -0.23 0.00 0.00 178.00 180.90 1wf5 n LYS 74 N -3.65 1.84 -4.10 0.86 5.02 -1.26 -4.82 118.16 112.05 1wf5 n LYS 74 Ca -0.01 -1.17 -0.35 0.00 -2.02 0.00 0.00 58.31 54.76 1wf5 n LYS 74 Cb 0.73 -1.31 -0.09 0.00 -0.02 0.00 0.00 35.03 34.34 1wf5 n LYS 74 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wf5 s ALA 75 N -1.59 3.49 0.00 7.82 0.00 -1.04 -4.97 121.76 125.47 1wf5 s ALA 75 Ca 0.22 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1wf5 s ALA 75 Cb 0.12 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1wf5 s ALA 75 CO 0.14 0.45 0.52 0.25 0.00 0.00 0.00 175.76 177.12 1wf5 n THR 76 N 2.60 0.07 -4.00 0.00 -2.24 -1.26 -4.90 114.28 104.55 1wf5 n THR 76 Ca -0.18 -0.52 -0.09 0.00 -2.27 0.00 0.00 64.05 60.99 1wf5 n THR 76 Cb 0.53 0.99 -0.11 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.07 0.30 0.05 3.42 1.04 -1.26 0.00 113.70 117.18 1wf5 s SER 77 Ca 0.00 -0.60 -0.19 0.00 0.48 0.00 0.00 55.95 55.64 1wf5 s SER 77 Cb 0.00 0.12 0.04 0.00 0.10 0.00 0.00 66.02 66.28 1wf5 s SER 77 CO 0.00 -0.35 0.45 0.54 0.98 0.00 0.00 173.24 174.85 1wf5 s VAL 78 N -1.93 0.05 -0.33 5.02 0.11 0.53 -4.98 120.40 118.87 1wf5 s VAL 78 Ca -0.11 -0.39 -0.01 0.00 -2.93 0.00 0.00 61.98 58.54 1wf5 s VAL 78 Cb -0.07 -0.96 0.07 0.00 -1.53 0.00 0.00 36.38 33.89 1wf5 s VAL 78 CO -0.03 -0.21 0.04 -0.89 -3.33 0.00 0.00 175.10 170.68 1wf5 s THR 79 N -2.50 2.86 0.51 5.04 2.01 -1.26 0.13 115.64 122.42 1wf5 s THR 79 Ca -0.05 -1.73 -0.20 0.00 0.31 0.00 0.00 61.69 60.03 1wf5 s THR 79 Cb -0.01 -2.79 -0.08 0.00 0.01 0.00 0.00 72.50 69.63 1wf5 s THR 79 CO -0.02 -0.32 1.06 -0.69 -0.69 0.00 0.00 174.62 173.97 1wf5 s VAL 80 N 1.15 3.61 0.33 3.82 1.01 -0.33 -4.84 120.40 125.15 1wf5 s VAL 80 Ca 0.00 1.00 0.06 0.00 0.00 0.00 0.00 61.98 63.03 1wf5 s VAL 80 Cb -0.20 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1wf5 s VAL 80 CO -0.03 -0.22 0.20 0.29 0.00 0.00 0.00 175.10 175.33 1wf5 n LYS 81 N -1.09 0.48 -3.53 2.72 5.02 -1.26 -1.81 118.16 118.69 1wf5 n LYS 81 Ca 0.10 -3.09 -0.26 0.00 -2.02 0.00 0.00 58.31 53.04 1wf5 n LYS 81 Cb 0.52 2.13 0.05 0.00 -0.02 0.00 0.00 35.03 37.71 1wf5 n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wf5 n GLY 82 N -0.57 -1.06 3.74 0.72 0.00 -1.11 -4.92 105.19 102.00 1wf5 n GLY 82 Ca 0.01 0.50 -0.26 0.00 0.00 0.00 0.00 46.02 46.28 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 -6.06 2.98 -0.03 0.99 1.43 -0.94 -5.07 118.68 111.98 1wf5 s LEU 83 Ca 0.46 -1.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.38 1wf5 s LEU 83 Cb -0.13 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 1wf5 s LEU 83 CO 0.82 -0.61 -0.01 -0.69 0.23 0.00 0.00 176.35 176.09 1wf5 s VAL 84 N -2.65 4.13 0.55 -1.59 1.01 -1.26 -4.78 120.40 115.81 1wf5 s VAL 84 Ca 0.36 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 1wf5 s VAL 84 Cb 0.04 -2.80 -0.06 0.00 0.00 0.00 0.00 36.38 33.56 1wf5 s VAL 84 CO 0.20 0.46 1.04 -2.16 0.00 0.00 0.00 175.10 174.64 1wf5 s PRO 85 N -1.31 3.54 -1.17 2.72 0.04 -1.26 -3.91 135.00 133.64 1wf5 s PRO 85 Ca 0.17 1.23 -0.19 0.00 0.04 0.00 0.00 61.00 62.25 1wf5 s PRO 85 Cb -0.11 -2.06 -0.00 0.00 0.04 0.00 0.00 34.50 32.36 1wf5 s PRO 85 CO 0.07 -0.64 0.75 0.00 0.04 0.00 0.00 177.00 177.22 1wf5 n ALA 86 N -1.64 -2.49 -3.37 8.56 0.00 0.39 -4.72 120.51 117.24 1wf5 n ALA 86 Ca 0.09 -0.26 -0.14 0.00 0.00 0.00 0.00 53.44 53.12 1wf5 n ALA 86 Cb 0.53 -3.73 -0.09 0.00 0.00 0.00 0.00 19.45 16.16 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 -6.14 0.66 0.48 0.00 0.52 -1.19 -4.89 118.95 108.39 1wf5 s ARG 87 Ca 0.42 0.43 -0.19 0.00 -0.52 0.00 0.00 55.73 55.87 1wf5 s ARG 87 Cb -0.16 0.31 -0.09 0.00 0.52 0.00 0.00 34.95 35.53 1wf5 s ARG 87 CO 0.87 -0.13 0.97 -1.12 0.02 0.00 0.00 175.30 175.91 1wf5 s SER 88 N -0.30 6.77 -0.06 0.23 0.01 -1.26 0.06 113.70 119.14 1wf5 s SER 88 Ca -0.05 1.63 -0.08 0.00 1.31 0.00 0.00 55.95 58.76 1wf5 s SER 88 Cb -0.03 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.69 1wf5 s SER 88 CO 0.03 -0.49 0.20 -0.31 0.41 0.00 0.00 173.24 173.09 1wf5 s TYR 89 N -2.41 -0.17 -0.07 2.43 2.02 0.26 -3.21 117.35 116.19 1wf5 s TYR 89 Ca 0.60 0.41 0.01 0.00 -0.37 0.00 0.00 57.07 57.72 1wf5 s TYR 89 Cb -0.10 0.06 0.02 0.00 -0.40 0.00 0.00 41.96 41.54 1wf5 s TYR 89 CO 0.23 -0.17 -0.09 -0.65 -1.57 0.00 0.00 175.55 173.30 1wf5 s GLN 90 N -0.29 1.41 0.15 -0.62 -0.21 0.33 -2.07 119.66 118.36 1wf5 s GLN 90 Ca -0.04 -0.28 0.08 0.00 0.02 0.00 0.00 55.36 55.14 1wf5 s GLN 90 Cb -0.03 -1.30 -0.04 0.00 1.00 0.00 0.00 33.01 32.64 1wf5 s GLN 90 CO 0.01 -0.08 -0.09 -0.06 -2.12 0.00 0.00 175.29 172.95 1wf5 s PHE 91 N 1.01 2.70 -0.30 0.91 0.08 -1.26 0.19 117.98 121.30 1wf5 s PHE 91 Ca -0.09 -0.19 -0.10 0.00 0.12 0.00 0.00 56.93 56.68 1wf5 s PHE 91 Cb -0.15 -1.35 0.18 0.00 -0.57 0.00 0.00 43.02 41.13 1wf5 s PHE 91 CO -0.00 0.48 0.94 -0.98 -0.10 0.00 0.00 175.22 175.56 1wf5 s ARG 92 N -2.59 0.27 0.23 0.44 1.70 -0.82 -2.53 118.95 115.65 1wf5 s ARG 92 Ca 0.24 0.46 0.08 0.00 -0.47 0.00 0.00 55.73 56.04 1wf5 s ARG 92 Cb -0.10 0.25 -0.04 0.00 -0.57 0.00 0.00 34.95 34.50 1wf5 s ARG 92 CO 0.15 -0.32 0.06 -0.48 -1.08 0.00 0.00 175.30 173.62 1wf5 s LEU 93 N 2.93 3.43 0.45 -1.89 2.34 -1.26 -1.52 118.68 123.16 1wf5 s LEU 93 Ca 0.06 -0.44 0.03 0.00 0.06 0.00 0.00 54.13 53.84 1wf5 s LEU 93 Cb -0.11 -1.99 -0.04 0.00 -0.56 0.00 0.00 46.19 43.49 1wf5 s LEU 93 CO -0.14 0.02 0.02 0.00 -1.06 0.00 0.00 176.35 175.19 1wf5 s ALA 95 N -2.90 3.29 -0.11 0.00 0.00 -1.23 -3.59 121.76 117.22 1wf5 s ALA 95 Ca 0.20 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1wf5 s ALA 95 Cb 0.05 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.03 1wf5 s ALA 95 CO 0.10 -0.36 -0.20 0.08 0.00 0.00 0.00 175.76 175.38 1wf5 s VAL 96 N 1.38 2.39 0.18 0.00 1.01 -0.37 -1.34 120.40 123.66 1wf5 s VAL 96 Ca 0.06 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1wf5 s VAL 96 Cb -0.15 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1wf5 s VAL 96 CO 0.05 0.55 0.06 0.54 0.00 0.00 0.00 175.10 176.30 1wf5 s ASN 97 N 0.31 0.70 0.29 3.32 4.22 0.14 0.19 114.94 124.11 1wf5 s ASN 97 Ca -0.15 -1.26 -0.04 0.00 -2.14 0.00 0.00 52.86 49.27 1wf5 s ASN 97 Cb -0.17 0.23 0.58 0.00 1.28 0.00 0.00 41.25 43.18 1wf5 s ASN 97 CO 0.08 -0.70 1.53 -0.67 -2.04 0.00 0.00 177.10 175.30 1wf5 n ASP 98 N -0.23 -0.25 -0.14 3.54 2.03 -1.26 0.18 116.55 120.41 1wf5 n ASP 98 Ca -0.03 1.68 -0.04 0.00 0.52 0.00 0.00 54.79 56.91 1wf5 n ASP 98 Cb 0.64 -0.55 0.02 0.00 -0.72 0.00 0.00 41.12 40.51 1wf5 n ASP 98 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1wf5 h VAL 99 N 0.00 0.51 0.00 5.18 2.07 -1.94 -3.48 116.25 118.60 1wf5 h VAL 99 Ca 0.53 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.05 1wf5 h VAL 99 Cb 0.94 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1wf5 h VAL 99 CO -0.97 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.23 1wf5 n GLY 100 N -1.35 -0.74 3.75 2.17 0.00 0.47 -5.03 105.19 104.46 1wf5 n GLY 100 Ca 0.03 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.90 3.01 0.00 1.61 2.20 -1.26 0.27 119.74 123.67 1wf5 s LYS 101 Ca 0.00 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.13 1wf5 s LYS 101 Cb 0.00 -2.82 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 1wf5 s LYS 101 CO 0.00 0.66 0.00 0.41 -0.36 0.00 0.00 175.35 176.06 1wf5 n GLY 102 N 1.45 0.55 3.34 5.54 0.00 -0.45 -4.88 105.19 110.74 1wf5 n GLY 102 Ca -0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 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 1.74 1.40 0.13 1.61 -2.07 -1.26 -4.94 119.66 116.26 1wf5 s GLN 103 Ca 0.00 -1.74 0.02 0.00 -1.82 0.00 0.00 55.36 51.83 1wf5 s GLN 103 Cb 0.00 -0.48 -0.04 0.00 -1.09 0.00 0.00 33.01 31.40 1wf5 s GLN 103 CO 0.00 -0.19 0.24 -0.06 -1.32 0.00 0.00 175.29 173.95 1wf5 s PHE 104 N -3.56 3.44 0.83 9.60 0.40 -1.26 -3.35 117.98 124.08 1wf5 s PHE 104 Ca 0.33 0.13 -0.11 0.00 -0.60 0.00 0.00 56.93 56.68 1wf5 s PHE 104 Cb 0.07 -1.67 0.09 0.00 0.51 0.00 0.00 43.02 42.02 1wf5 s PHE 104 CO 0.11 0.53 1.09 -1.54 0.70 0.00 0.00 175.22 176.12 1wf5 s SER 105 N -3.01 4.08 0.82 1.36 1.04 -0.60 -4.83 113.70 112.56 1wf5 s SER 105 Ca 0.34 1.64 -0.11 0.00 0.48 0.00 0.00 55.95 58.29 1wf5 s SER 105 Cb -0.11 -2.34 0.09 0.00 0.10 0.00 0.00 66.02 63.76 1wf5 s SER 105 CO 0.27 -2.28 1.13 -0.54 0.98 0.00 0.00 173.24 172.81 1wf5 s LYS 106 N -4.94 1.72 -0.17 4.02 1.02 -1.26 -4.67 119.74 115.47 1wf5 s LYS 106 Ca 0.62 1.44 -0.29 0.00 0.02 0.00 0.00 55.97 57.76 1wf5 s LYS 106 Cb -0.17 -1.82 -0.06 0.00 -0.52 0.00 0.00 37.83 35.26 1wf5 s LYS 106 CO 0.56 -2.09 2.17 -0.40 -0.92 0.00 0.00 175.35 174.67 1wf5 n ASP 107 N -3.66 3.43 -4.43 2.83 5.68 -1.26 -4.74 116.55 114.40 1wf5 n ASP 107 Ca 0.11 0.37 -0.33 0.00 -0.50 0.00 0.00 54.79 54.44 1wf5 n ASP 107 Cb 0.52 -1.54 0.13 0.00 -1.14 0.00 0.00 41.12 39.09 1wf5 n ASP 107 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1wf5 n THR 108 N 7.22 0.00 -1.60 2.12 -2.24 -1.05 -4.72 114.28 114.01 1wf5 n THR 108 Ca 0.28 -0.18 -0.55 0.00 -2.27 0.00 0.00 64.05 61.34 1wf5 n THR 108 Cb 0.43 -0.66 -0.07 0.00 -2.10 0.00 0.00 70.33 67.93 1wf5 n THR 108 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wf5 n GLU 109 N -2.01 1.16 -1.32 -0.78 1.02 -1.26 -4.60 120.64 112.85 1wf5 n GLU 109 Ca 0.07 0.39 -0.31 0.00 -0.02 0.00 0.00 57.16 57.30 1wf5 n GLU 109 Cb 0.54 -2.23 -0.15 0.00 -0.02 0.00 0.00 31.44 29.57 1wf5 n GLU 109 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1wf5 n ARG 110 N 6.53 0.00 -3.27 3.49 0.63 -1.26 -4.71 116.66 118.07 1wf5 n ARG 110 Ca 0.32 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.86 1wf5 n ARG 110 Cb 0.17 -1.18 -0.07 0.00 0.45 0.00 0.00 32.46 31.83 1wf5 n ARG 110 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1wf5 s VAL 111 N 5.38 5.12 -0.02 5.15 0.11 -0.88 -4.86 120.40 130.40 1wf5 s VAL 111 Ca 1.19 0.92 0.00 0.00 -2.93 0.00 0.00 61.98 61.16 1wf5 s VAL 111 Cb -0.99 -3.83 -0.04 0.00 -1.53 0.00 0.00 36.38 29.99 1wf5 s VAL 111 CO 0.45 0.19 0.01 -0.55 -3.33 0.00 0.00 175.10 171.88 1wf5 s SER 112 N 1.13 5.23 0.38 3.54 0.15 -1.26 0.92 113.70 123.79 1wf5 s SER 112 Ca 0.23 0.05 -0.06 0.00 0.70 0.00 0.00 55.95 56.88 1wf5 s SER 112 Cb -0.15 -1.41 -0.05 0.00 -1.71 0.00 0.00 66.02 62.70 1wf5 s SER 112 CO 0.09 0.30 0.67 -0.22 1.20 0.00 0.00 173.24 175.28 1wf5 s LEU 113 N -1.43 3.88 0.42 3.45 2.96 0.11 -4.87 118.68 123.19 1wf5 s LEU 113 Ca 0.19 0.83 -0.23 0.00 -0.22 0.00 0.00 54.13 54.70 1wf5 s LEU 113 Cb -0.12 -3.71 -0.09 0.00 0.50 0.00 0.00 46.19 42.78 1wf5 s LEU 113 CO 0.09 -0.36 1.05 -2.16 -1.32 0.00 0.00 176.35 173.65 1wf5 s PRO 114 N -4.06 4.07 0.56 0.98 0.04 -1.26 -0.46 135.00 134.87 1wf5 s PRO 114 Ca 0.46 1.49 -0.21 0.00 0.04 0.00 0.00 61.00 62.78 1wf5 s PRO 114 Cb -0.10 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1wf5 s PRO 114 CO 0.35 -0.22 1.28 -2.00 0.04 0.00 0.00 177.00 176.46 1wf5 s GLU 115 N -2.67 3.10 -0.29 4.56 2.12 -1.26 -0.99 118.70 123.27 1wf5 s GLU 115 Ca 0.60 2.04 -0.15 0.00 0.36 0.00 0.00 54.97 57.82 1wf5 s GLU 115 Cb -0.21 -2.13 0.14 0.00 0.26 0.00 0.00 34.13 32.19 1wf5 s GLU 115 CO 0.26 -1.16 0.93 0.45 -0.54 0.00 0.00 175.26 175.19 1wf5 s SER 116 N -1.24 -0.60 0.18 -1.70 0.15 -1.26 -4.78 113.70 104.44 1wf5 s SER 116 Ca 0.74 0.93 0.00 0.00 0.70 0.00 0.00 55.95 58.31 1wf5 s SER 116 Cb -0.36 1.37 0.00 0.00 -1.71 0.00 0.00 66.02 65.33 1wf5 s SER 116 CO 0.41 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.32 1wf5 n GLY 117 N 4.12 -2.05 0.08 9.45 0.00 -1.26 -4.56 105.19 110.97 1wf5 n GLY 117 Ca -0.17 -1.36 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 1wf5 n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf5 h PRO 118 N 0.00 0.12 -5.70 1.61 0.13 -2.03 -3.49 132.00 122.63 1wf5 h PRO 118 Ca 0.01 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1wf5 h PRO 118 Cb 0.46 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.58 1wf5 h PRO 118 CO 0.00 0.83 -0.81 0.45 -0.23 0.00 0.00 178.00 178.24 1wf5 n SER 119 N -4.60 -5.21 -4.68 1.44 2.88 -1.26 -4.87 113.62 97.31 1wf5 n SER 119 Ca -0.09 1.06 -0.41 0.00 -1.33 0.00 0.00 58.87 58.09 1wf5 n SER 119 Cb 0.44 -3.24 -0.04 0.00 -0.75 0.00 0.00 64.21 60.62 1wf5 n SER 119 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wf5 s SER 120 N -0.60 7.05 0.00 -3.46 0.15 -1.26 -5.17 113.70 110.40 1wf5 s SER 120 Ca -0.09 1.28 0.00 0.00 0.70 0.00 0.00 55.95 57.84 1wf5 s SER 120 Cb 0.01 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1wf5 s SER 120 CO 0.36 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.05