#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 -0.15 0.50 1.61 0.15 -1.26 -5.18 113.70 109.37 1wf5 s SER 2 Ca 0.00 0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.93 1wf5 s SER 2 Cb 0.00 0.77 0.02 0.00 -1.71 0.00 0.00 66.02 65.10 1wf5 s SER 2 CO 0.00 -0.04 0.72 -0.94 1.20 0.00 0.00 173.24 174.17 1wf5 s SER 3 N 0.73 5.55 1.14 5.45 1.04 -1.26 -5.10 113.70 121.25 1wf5 s SER 3 Ca -0.03 0.10 -0.09 0.00 0.48 0.00 0.00 55.95 56.41 1wf5 s SER 3 Cb -0.03 -1.16 0.14 0.00 0.10 0.00 0.00 66.02 65.06 1wf5 s SER 3 CO -0.12 -0.92 0.43 0.61 0.98 0.00 0.00 173.24 174.22 1wf5 n GLY 4 N -2.19 -3.01 3.62 7.32 0.00 -1.26 -5.09 105.19 104.58 1wf5 n GLY 4 Ca 0.05 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 1wf5 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wf5 s SER 5 N -2.66 -0.13 0.07 1.61 1.04 -1.26 -5.15 113.70 107.21 1wf5 s SER 5 Ca 0.30 -0.83 -0.20 0.00 0.48 0.00 0.00 55.95 55.70 1wf5 s SER 5 Cb -0.04 0.60 -0.07 0.00 0.10 0.00 0.00 66.02 66.62 1wf5 s SER 5 CO 0.23 -1.16 0.58 -0.55 0.98 0.00 0.00 173.24 173.32 1wf5 s SER 6 N -2.99 7.06 0.00 7.02 0.15 -1.26 -5.07 113.70 118.62 1wf5 s SER 6 Ca 0.19 1.26 0.00 0.00 0.70 0.00 0.00 55.95 58.10 1wf5 s SER 6 Cb -0.01 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1wf5 s SER 6 CO 0.07 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.37 1wf5 n GLY 7 N 1.81 0.85 3.45 9.45 0.00 -1.26 -5.12 105.19 114.38 1wf5 n GLY 7 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 1wf5 n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wf5 s ARG 8 N 0.18 1.15 0.38 1.61 3.52 -1.26 -5.17 118.95 119.35 1wf5 s ARG 8 Ca 0.00 -0.17 0.02 0.00 -0.13 0.00 0.00 55.73 55.45 1wf5 s ARG 8 Cb 0.00 0.53 -0.02 0.00 -1.56 0.00 0.00 34.95 33.91 1wf5 s ARG 8 CO 0.00 -0.44 0.56 -1.54 -0.81 0.00 0.00 175.30 173.07 1wf5 s SER 9 N -2.04 6.04 0.10 -2.12 1.04 -1.26 -5.11 113.70 110.34 1wf5 s SER 9 Ca -0.04 0.22 0.09 0.00 0.48 0.00 0.00 55.95 56.70 1wf5 s SER 9 Cb -0.01 -1.65 -0.03 0.00 0.10 0.00 0.00 66.02 64.43 1wf5 s SER 9 CO -0.03 -0.47 -0.24 0.00 0.98 0.00 0.00 173.24 173.48 1wf5 s ALA 10 N -2.35 2.12 -0.16 5.32 0.00 -1.26 -5.06 121.76 120.36 1wf5 s ALA 10 Ca 0.44 -1.32 -0.16 0.00 0.00 0.00 0.00 51.96 50.91 1wf5 s ALA 10 Cb -0.10 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 1wf5 s ALA 10 CO 0.35 0.47 -0.32 1.58 0.00 0.00 0.00 175.76 177.85 1wf5 n HIS 11 N 1.22 0.00 -0.58 0.00 -0.00 -1.26 -5.00 115.22 109.60 1wf5 n HIS 11 Ca -0.18 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.70 1wf5 n HIS 11 Cb 0.53 -0.45 0.21 0.00 -0.12 0.00 0.00 29.99 30.16 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 -4.28 -0.65 -4.70 0.27 7.99 -1.26 -4.85 117.00 109.52 1wf5 n LEU 12 Ca -0.13 -0.00 -0.42 0.00 -0.01 0.00 0.00 56.01 55.45 1wf5 n LEU 12 Cb 0.47 -1.23 -0.03 0.00 -0.11 0.00 0.00 43.42 42.52 1wf5 n LEU 12 CO 0.19 -3.08 1.35 -0.13 -1.51 0.00 0.00 177.39 174.21 1wf5 s ARG 13 N -4.18 4.17 -0.21 3.23 3.00 -1.26 -4.98 118.95 118.73 1wf5 s ARG 13 Ca 0.65 2.46 -0.06 0.00 0.00 0.00 0.00 55.73 58.77 1wf5 s ARG 13 Cb -0.22 -3.41 -0.03 0.00 0.00 0.00 0.00 34.95 31.29 1wf5 s ARG 13 CO 0.64 -0.74 0.03 0.54 0.00 0.00 0.00 175.30 175.78 1wf5 s VAL 14 N 2.08 4.22 -1.02 3.52 0.11 -1.26 -5.00 120.40 123.05 1wf5 s VAL 14 Ca 0.75 -0.22 -0.27 0.00 -2.93 0.00 0.00 61.98 59.31 1wf5 s VAL 14 Cb -0.44 -2.92 -0.22 0.00 -1.53 0.00 0.00 36.38 31.28 1wf5 s VAL 14 CO 0.33 0.42 2.19 -0.13 -3.33 0.00 0.00 175.10 174.58 1wf5 s ARG 15 N 0.98 1.19 0.06 1.54 0.52 -1.26 -4.39 118.95 117.60 1wf5 s ARG 15 Ca 0.03 -0.21 -0.14 0.00 -0.52 0.00 0.00 55.73 54.89 1wf5 s ARG 15 Cb -0.14 -4.93 -0.06 0.00 0.52 0.00 0.00 34.95 30.34 1wf5 s ARG 15 CO 0.02 -5.38 0.45 -1.14 0.02 0.00 0.00 175.30 169.28 1wf5 s GLN 16 N 8.65 3.91 0.52 3.54 2.00 -1.26 -4.91 119.66 132.11 1wf5 s GLN 16 Ca 0.84 0.39 -0.21 0.00 -2.00 0.00 0.00 55.36 54.39 1wf5 s GLN 16 Cb -0.07 -3.09 -0.06 0.00 0.80 0.00 0.00 33.01 30.59 1wf5 s GLN 16 CO 0.16 0.60 1.18 -0.51 -0.50 0.00 0.00 175.29 176.22 1wf5 s LEU 17 N -1.52 3.84 0.30 3.68 2.01 -1.26 -3.63 118.68 122.09 1wf5 s LEU 17 Ca 0.30 2.32 -0.28 0.00 0.01 0.00 0.00 54.13 56.47 1wf5 s LEU 17 Cb -0.16 -4.44 -0.09 0.00 0.01 0.00 0.00 46.19 41.51 1wf5 s LEU 17 CO 0.17 -1.21 1.08 -2.16 1.01 0.00 0.00 176.35 175.23 1wf5 s PRO 18 N -3.05 4.56 0.59 1.29 0.04 -1.26 -4.06 135.00 133.11 1wf5 s PRO 18 Ca 0.70 1.72 -0.20 0.00 0.04 0.00 0.00 61.00 63.27 1wf5 s PRO 18 Cb -0.28 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 1wf5 s PRO 18 CO 0.33 0.16 1.27 -1.01 0.04 0.00 0.00 177.00 177.79 1wf5 s HIS 19 N -1.27 2.29 0.99 0.56 3.76 -0.97 -4.12 115.29 116.53 1wf5 s HIS 19 Ca 0.47 1.47 -0.12 0.00 -0.15 0.00 0.00 55.06 56.73 1wf5 s HIS 19 Cb -0.29 -3.63 0.18 0.00 1.11 0.00 0.00 32.58 29.95 1wf5 s HIS 19 CO 0.38 -2.59 1.08 0.00 -0.85 0.00 0.00 174.74 172.76 1wf5 s ALA 20 N -1.44 0.85 0.27 -1.40 0.00 -1.26 -4.53 121.76 114.25 1wf5 s ALA 20 Ca 0.77 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 1wf5 s ALA 20 Cb -0.35 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.39 1wf5 s ALA 20 CO 0.39 -2.96 1.08 -1.25 0.00 0.00 0.00 175.76 173.02 1wf5 s PRO 21 N -4.70 4.66 0.56 0.00 0.04 -1.26 -4.53 135.00 129.77 1wf5 s PRO 21 Ca 0.66 1.77 0.07 0.00 0.04 0.00 0.00 61.00 63.54 1wf5 s PRO 21 Cb -0.22 -3.20 0.07 0.00 0.04 0.00 0.00 34.50 31.19 1wf5 s PRO 21 CO 0.60 0.24 0.77 -1.21 0.04 0.00 0.00 177.00 177.44 1wf5 s GLU 22 N -1.39 2.35 -1.03 4.56 2.02 -1.24 -4.53 118.70 119.45 1wf5 s GLU 22 Ca 0.44 -1.38 -0.14 0.00 0.02 0.00 0.00 54.97 53.92 1wf5 s GLU 22 Cb -0.31 -2.61 0.02 0.00 0.10 0.00 0.00 34.13 31.33 1wf5 s GLU 22 CO 0.40 -0.80 0.26 -2.39 0.02 0.00 0.00 175.26 172.75 1wf5 n HIS 23 N -2.25 -0.98 -2.25 1.61 1.44 -1.26 -1.98 115.22 109.56 1wf5 n HIS 23 Ca 0.13 0.23 -0.36 0.00 -2.01 0.00 0.00 57.72 55.71 1wf5 n HIS 23 Cb 0.61 -2.06 -0.03 0.00 0.12 0.00 0.00 29.99 28.62 1wf5 n HIS 23 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1wf5 n PRO 24 N -3.87 2.40 -3.65 -1.40 -0.04 -1.26 -4.19 135.00 122.99 1wf5 n PRO 24 Ca -0.16 -2.83 -0.37 0.00 -0.04 0.00 0.00 63.50 60.10 1wf5 n PRO 24 Cb 0.47 -3.56 -0.06 0.00 -0.04 0.00 0.00 33.50 30.30 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 7.21 5.22 -0.23 0.52 1.01 -0.09 -4.44 120.40 129.59 1wf5 s VAL 25 Ca 0.60 0.56 -0.00 0.00 0.00 0.00 0.00 61.98 63.13 1wf5 s VAL 25 Cb 0.03 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.88 1wf5 s VAL 25 CO 0.10 0.56 -0.02 0.00 0.00 0.00 0.00 175.10 175.74 1wf5 s ALA 26 N -1.10 1.70 0.13 5.51 0.00 -1.26 -0.65 121.76 126.09 1wf5 s ALA 26 Ca 0.22 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.99 1wf5 s ALA 26 Cb -0.15 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1wf5 s ALA 26 CO 0.11 -1.23 0.10 0.95 0.00 0.00 0.00 175.76 175.68 1wf5 s THR 27 N 1.52 4.42 1.34 0.00 -4.23 -0.47 -4.88 115.64 113.35 1wf5 s THR 27 Ca -0.03 -0.97 -0.22 0.00 -1.18 0.00 0.00 61.69 59.29 1wf5 s THR 27 Cb -0.18 -3.19 0.35 0.00 1.34 0.00 0.00 72.50 70.81 1wf5 s THR 27 CO -0.08 0.00 0.88 0.18 -0.54 0.00 0.00 174.62 175.06 1wf5 n LEU 28 N 0.05 0.00 -3.62 4.79 4.77 -1.26 0.23 117.00 121.96 1wf5 n LEU 28 Ca -0.09 -0.91 -0.29 0.00 -0.03 0.00 0.00 56.01 54.70 1wf5 n LEU 28 Cb 0.53 -0.95 -0.08 0.00 -2.33 0.00 0.00 43.42 40.59 1wf5 n LEU 28 CO 0.43 -2.61 0.12 -1.20 -1.33 0.00 0.00 177.39 172.81 1wf5 n SER 29 N -5.46 3.76 -0.07 -1.43 7.64 0.12 -3.57 113.62 114.60 1wf5 n SER 29 Ca 0.13 -3.37 0.24 0.00 1.01 0.00 0.00 58.87 56.89 1wf5 n SER 29 Cb 0.57 -0.75 0.57 0.00 -1.01 0.00 0.00 64.21 63.59 1wf5 n SER 29 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1wf5 h THR 30 N 3.55 0.15 0.00 0.44 1.35 -1.93 -0.43 112.91 116.03 1wf5 h THR 30 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 1wf5 h THR 30 Cb 0.69 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1wf5 h THR 30 CO 0.84 0.00 -0.34 0.58 -0.25 0.00 0.00 175.52 176.34 1wf5 h VAL 31 N 0.00 0.00 -3.34 6.82 2.07 -1.95 -3.45 116.25 116.39 1wf5 h VAL 31 Ca 0.35 -0.89 -0.59 0.00 0.82 0.00 0.00 66.70 66.39 1wf5 h VAL 31 Cb 2.11 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.80 1wf5 h VAL 31 CO -0.00 0.00 0.33 -1.61 0.02 0.00 0.00 177.57 176.30 1wf5 s GLU 32 N -1.96 4.23 0.42 1.57 8.01 -0.17 -5.03 118.70 125.77 1wf5 s GLU 32 Ca -0.10 0.87 -0.25 0.00 0.01 0.00 0.00 54.97 55.50 1wf5 s GLU 32 Cb 0.01 -3.60 -0.08 0.00 -4.31 0.00 0.00 34.13 26.15 1wf5 s GLU 32 CO 0.15 -0.36 1.22 1.03 0.01 0.00 0.00 175.26 177.31 1wf5 s ARG 33 N 2.28 3.95 -1.38 1.61 1.81 -1.26 -3.17 118.95 122.79 1wf5 s ARG 33 Ca 0.34 1.96 -0.01 0.00 -1.72 0.00 0.00 55.73 56.30 1wf5 s ARG 33 Cb -0.16 -2.65 0.01 0.00 -0.45 0.00 0.00 34.95 31.69 1wf5 s ARG 33 CO 0.10 -0.45 0.52 0.54 -0.68 0.00 0.00 175.30 175.34 1wf5 n ARG 34 N -0.02 -3.85 -3.87 3.54 1.74 -1.26 -4.76 116.66 108.18 1wf5 n ARG 34 Ca 0.05 0.48 -0.11 0.00 -0.77 0.00 0.00 57.85 57.49 1wf5 n ARG 34 Cb 0.46 -4.76 -0.10 0.00 -1.02 0.00 0.00 32.46 27.03 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 -3.84 -0.33 -0.11 7.54 0.00 -1.19 -2.90 121.76 120.93 1wf5 s ALA 35 Ca 0.03 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.92 1wf5 s ALA 35 Cb -0.02 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1wf5 s ALA 35 CO 0.86 -0.20 -0.13 0.42 0.00 0.00 0.00 175.76 176.72 1wf5 s ILE 36 N -1.24 1.32 -0.54 0.00 1.01 -0.83 0.16 121.20 121.08 1wf5 s ILE 36 Ca -0.13 -0.52 -0.26 0.00 0.00 0.00 0.00 60.65 59.73 1wf5 s ILE 36 Cb -0.07 -1.24 0.03 0.00 0.01 0.00 0.00 42.46 41.20 1wf5 s ILE 36 CO 0.01 0.41 1.03 0.20 0.00 0.00 0.00 174.94 176.59 1wf5 s ASN 37 N 1.15 6.42 0.00 3.58 0.01 0.62 -1.02 114.94 125.70 1wf5 s ASN 37 Ca -0.04 -0.08 -0.25 0.00 -0.71 0.00 0.00 52.86 51.78 1wf5 s ASN 37 Cb -0.14 -2.48 -0.05 0.00 0.41 0.00 0.00 41.25 38.99 1wf5 s ASN 37 CO -0.03 -1.28 0.76 -0.22 -1.51 0.00 0.00 177.10 174.82 1wf5 s LEU 38 N 4.26 4.40 -0.03 0.60 1.98 0.54 -1.37 118.68 129.07 1wf5 s LEU 38 Ca 0.37 1.38 0.01 0.00 -2.89 0.00 0.00 54.13 52.99 1wf5 s LEU 38 Cb -0.10 -3.20 0.02 0.00 0.66 0.00 0.00 46.19 43.56 1wf5 s LEU 38 CO 0.23 -0.05 -0.02 0.42 -1.89 0.00 0.00 176.35 175.04 1wf5 s THR 39 N 0.30 0.30 0.35 3.68 -4.23 0.18 -0.34 115.64 115.89 1wf5 s THR 39 Ca 0.39 -0.03 0.01 0.00 -1.18 0.00 0.00 61.69 60.88 1wf5 s THR 39 Cb -0.20 -0.35 -0.00 0.00 1.34 0.00 0.00 72.50 73.30 1wf5 s THR 39 CO 0.22 0.15 0.44 -2.67 -0.54 0.00 0.00 174.62 172.22 1wf5 n TRP 40 N 3.86 -1.30 -4.17 3.99 2.14 0.76 -0.91 117.44 121.81 1wf5 n TRP 40 Ca -0.24 -2.54 -0.27 0.00 2.07 0.00 0.00 57.50 56.53 1wf5 n TRP 40 Cb 0.52 0.49 -0.07 0.00 -0.81 0.00 0.00 31.31 31.44 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 -2.98 3.93 -0.39 -1.67 2.01 -0.84 -4.70 115.64 111.00 1wf5 s THR 41 Ca 0.33 -1.31 -0.28 0.00 0.31 0.00 0.00 61.69 60.73 1wf5 s THR 41 Cb -0.00 -2.98 0.02 0.00 0.01 0.00 0.00 72.50 69.55 1wf5 s THR 41 CO 0.23 -0.10 1.07 -0.75 -0.69 0.00 0.00 174.62 174.39 1wf5 s LYS 42 N -2.94 3.88 1.02 4.92 2.36 -1.26 -3.70 119.74 124.02 1wf5 s LYS 42 Ca 0.28 0.77 -0.16 0.00 -2.55 0.00 0.00 55.97 54.32 1wf5 s LYS 42 Cb -0.10 -3.82 0.21 0.00 -1.05 0.00 0.00 37.83 33.07 1wf5 s LYS 42 CO 0.20 -1.10 1.19 -1.25 1.55 0.00 0.00 175.35 175.94 1wf5 s PRO 43 N 3.93 0.19 -0.04 4.03 0.04 -1.26 -4.98 135.00 136.91 1wf5 s PRO 43 Ca 0.45 -0.07 -0.29 0.00 0.04 0.00 0.00 61.00 61.13 1wf5 s PRO 43 Cb -0.10 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 1wf5 s PRO 43 CO 0.22 -2.77 0.93 0.12 0.04 0.00 0.00 177.00 175.54 1wf5 s PHE 44 N -3.40 3.61 0.00 0.56 2.19 -1.26 -4.87 117.98 114.81 1wf5 s PHE 44 Ca 0.70 1.58 -0.30 0.00 0.33 0.00 0.00 56.93 59.23 1wf5 s PHE 44 Cb -0.09 -3.07 -0.04 0.00 -1.31 0.00 0.00 43.02 38.50 1wf5 s PHE 44 CO 0.54 -0.05 1.16 0.16 1.83 0.00 0.00 175.22 178.86 1wf5 s ASP 45 N 1.00 7.12 0.00 6.13 -4.77 -1.26 -2.30 116.67 122.58 1wf5 s ASP 45 Ca 0.48 1.87 0.00 0.00 -3.30 0.00 0.00 52.55 51.60 1wf5 s ASP 45 Cb -0.20 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.06 1wf5 s ASP 45 CO 0.24 -0.48 0.68 0.61 0.70 0.00 0.00 175.17 176.92 1wf5 n GLY 46 N 3.22 -3.28 0.78 2.12 0.00 -1.24 -4.58 105.19 102.20 1wf5 n GLY 46 Ca 0.09 0.51 -0.02 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.53 -0.25 -3.71 1.61 3.02 -1.24 -4.77 115.26 108.40 1wf5 n ASN 47 Ca 0.00 -1.58 -0.10 0.00 -0.03 0.00 0.00 54.58 52.87 1wf5 n ASN 47 Cb 0.00 0.05 -0.05 0.00 -0.61 0.00 0.00 39.78 39.17 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 -0.68 -0.19 0.58 6.41 0.15 -1.26 -4.91 113.70 113.80 1wf5 s SER 48 Ca 0.04 -0.44 -0.16 0.00 0.70 0.00 0.00 55.95 56.09 1wf5 s SER 48 Cb 0.04 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.79 1wf5 s SER 48 CO -0.02 -0.90 1.05 -2.16 1.20 0.00 0.00 173.24 172.41 1wf5 s PRO 49 N -3.84 3.43 0.56 5.44 0.04 -1.26 -4.79 135.00 134.57 1wf5 s PRO 49 Ca 0.06 1.18 -0.19 0.00 0.04 0.00 0.00 61.00 62.10 1wf5 s PRO 49 Cb 0.01 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1wf5 s PRO 49 CO -0.08 -0.72 1.11 -0.51 0.04 0.00 0.00 177.00 176.83 1wf5 s LEU 50 N -4.38 3.69 0.04 -3.56 1.43 -1.26 -3.92 118.68 110.71 1wf5 s LEU 50 Ca 0.63 2.08 -0.03 0.00 -1.03 0.00 0.00 54.13 55.79 1wf5 s LEU 50 Cb -0.15 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.49 1wf5 s LEU 50 CO 0.35 -1.21 -0.05 -0.38 0.23 0.00 0.00 176.35 175.29 1wf5 n ILE 51 N -1.48 0.98 -3.98 -0.59 5.41 0.23 -4.79 119.36 115.13 1wf5 n ILE 51 Ca 0.11 0.29 -0.11 0.00 1.00 0.00 0.00 62.75 64.04 1wf5 n ILE 51 Cb 0.51 -1.58 -0.03 0.00 -0.71 0.00 0.00 39.64 37.84 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 -1.89 1.88 -0.05 0.38 1.70 -0.60 -3.65 118.95 116.72 1wf5 s ARG 52 Ca -0.04 -1.50 -0.00 0.00 -0.47 0.00 0.00 55.73 53.72 1wf5 s ARG 52 Cb 0.01 0.50 0.03 0.00 -0.57 0.00 0.00 34.95 34.92 1wf5 s ARG 52 CO 0.06 -0.81 0.00 0.71 -1.08 0.00 0.00 175.30 174.19 1wf5 s TYR 53 N -3.20 0.45 -0.56 5.89 1.51 -1.19 -1.29 117.35 118.96 1wf5 s TYR 53 Ca 0.24 -0.05 -0.21 0.00 -1.01 0.00 0.00 57.07 56.04 1wf5 s TYR 53 Cb -0.02 -0.58 0.07 0.00 -0.11 0.00 0.00 41.96 41.32 1wf5 s TYR 53 CO 0.14 -0.21 0.76 0.42 -1.11 0.00 0.00 175.55 175.55 1wf5 s ILE 54 N 1.49 4.67 -0.36 2.71 1.01 -1.24 -3.52 121.20 125.96 1wf5 s ILE 54 Ca -0.03 -0.44 -0.19 0.00 0.00 0.00 0.00 60.65 59.99 1wf5 s ILE 54 Cb -0.13 -4.46 0.00 0.00 0.01 0.00 0.00 42.46 37.88 1wf5 s ILE 54 CO -0.03 -1.05 0.58 -0.22 0.00 0.00 0.00 174.94 174.22 1wf5 s LEU 55 N 3.15 4.31 -0.22 2.97 1.98 -0.36 -2.93 118.68 127.57 1wf5 s LEU 55 Ca 0.18 0.05 -0.09 0.00 -2.89 0.00 0.00 54.13 51.38 1wf5 s LEU 55 Cb -0.19 -2.69 -0.04 0.00 0.66 0.00 0.00 46.19 43.93 1wf5 s LEU 55 CO 0.12 -0.55 0.12 -1.61 -1.89 0.00 0.00 176.35 172.54 1wf5 s GLU 56 N 2.56 3.98 -0.06 1.98 8.01 -0.58 -1.80 118.70 132.79 1wf5 s GLU 56 Ca 0.22 -0.32 -0.03 0.00 0.01 0.00 0.00 54.97 54.84 1wf5 s GLU 56 Cb -0.15 -3.41 -0.04 0.00 -4.31 0.00 0.00 34.13 26.22 1wf5 s GLU 56 CO 0.14 0.09 0.10 1.41 0.01 0.00 0.00 175.26 177.01 1wf5 s MET 57 N 0.92 3.23 -0.26 1.61 -2.45 -0.80 -1.52 119.30 120.04 1wf5 s MET 57 Ca 0.06 -0.32 0.01 0.00 -1.25 0.00 0.00 55.69 54.19 1wf5 s MET 57 Cb -0.13 -2.99 0.07 0.00 1.25 0.00 0.00 34.83 33.02 1wf5 s MET 57 CO 0.03 0.71 -0.03 0.45 1.05 0.00 0.00 175.02 177.23 1wf5 s SER 58 N -1.32 4.01 0.58 1.11 0.15 -0.50 0.13 113.70 117.87 1wf5 s SER 58 Ca 0.18 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.49 1wf5 s SER 58 Cb -0.12 -1.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 1wf5 s SER 58 CO 0.08 -0.27 0.00 1.21 1.20 0.00 0.00 173.24 175.47 1wf5 n GLU 59 N 4.62 0.28 -1.52 5.44 2.13 -1.25 -0.38 120.64 129.96 1wf5 n GLU 59 Ca -0.09 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.33 1wf5 n GLU 59 Cb 0.43 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.06 1wf5 n GLU 59 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1wf5 n ASN 60 N -1.74 1.54 -1.59 4.31 3.02 -1.22 -0.16 115.26 119.42 1wf5 n ASN 60 Ca 0.00 -0.14 -0.12 0.00 -0.03 0.00 0.00 54.58 54.30 1wf5 n ASN 60 Cb 0.00 -1.30 -0.04 0.00 -0.61 0.00 0.00 39.78 37.83 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 13.15 -3.20 -4.85 6.41 4.13 -1.26 -4.90 115.26 124.75 1wf5 n ASN 61 Ca 0.48 0.27 -0.32 0.00 1.68 0.00 0.00 54.58 56.69 1wf5 n ASN 61 Cb 0.31 -2.97 -0.06 0.00 -1.54 0.00 0.00 39.78 35.53 1wf5 n ASN 61 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wf5 s ALA 62 N -2.12 3.29 0.37 5.41 0.00 0.77 -5.04 121.76 124.44 1wf5 s ALA 62 Ca 0.00 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.75 1wf5 s ALA 62 Cb 0.00 -2.81 -0.09 0.00 0.00 0.00 0.00 23.12 20.22 1wf5 s ALA 62 CO 0.00 0.25 1.06 -1.25 0.00 0.00 0.00 175.76 175.82 1wf5 s PRO 63 N -3.16 4.28 -0.44 0.00 0.04 -1.26 -3.96 135.00 130.50 1wf5 s PRO 63 Ca 0.55 1.58 -0.41 0.00 0.04 0.00 0.00 61.00 62.76 1wf5 s PRO 63 Cb -0.10 -2.70 -0.16 0.00 0.04 0.00 0.00 34.50 31.58 1wf5 s PRO 63 CO 0.19 -0.06 2.10 0.91 0.04 0.00 0.00 177.00 180.19 1wf5 n TRP 64 N 0.24 1.39 -3.70 0.56 5.03 -1.26 -4.66 117.44 115.04 1wf5 n TRP 64 Ca 0.03 0.61 -0.38 0.00 3.03 0.00 0.00 57.50 60.80 1wf5 n TRP 64 Cb 0.48 -2.38 -0.11 0.00 -1.03 0.00 0.00 31.31 28.28 1wf5 n TRP 64 CO 0.00 0.00 0.00 -0.08 -0.03 0.00 0.00 177.69 177.58 1wf5 s THR 65 N 6.13 3.68 -0.65 -0.99 -1.32 0.36 -4.84 115.64 118.01 1wf5 s THR 65 Ca 1.14 -1.80 -0.28 0.00 -1.21 0.00 0.00 61.69 59.54 1wf5 s THR 65 Cb -1.26 -3.41 -0.12 0.00 -1.51 0.00 0.00 72.50 66.19 1wf5 s THR 65 CO 0.61 -0.63 2.50 0.55 -2.21 0.00 0.00 174.62 175.44 1wf5 n VAL 66 N 4.74 -0.03 -0.07 5.08 3.14 -1.26 -1.90 118.33 128.03 1wf5 n VAL 66 Ca -0.06 -0.49 -0.11 0.00 -2.96 0.00 0.00 64.34 60.72 1wf5 n VAL 66 Cb 0.42 -1.95 -0.10 0.00 -1.06 0.00 0.00 33.84 31.16 1wf5 n VAL 66 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1wf5 h LEU 67 N 16.52 0.00 -8.09 6.55 3.38 -1.71 -3.43 115.31 128.53 1wf5 h LEU 67 Ca -0.18 -0.72 -0.69 0.00 0.09 0.00 0.00 57.88 56.38 1wf5 h LEU 67 Cb 1.29 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.72 1wf5 h LEU 67 CO 1.23 0.89 -0.67 -0.76 0.09 0.00 0.00 178.44 179.22 1wf5 s LEU 68 N -8.29 4.07 -0.07 1.67 1.43 -1.16 -4.94 118.68 111.39 1wf5 s LEU 68 Ca -0.15 -1.24 0.01 0.00 -1.03 0.00 0.00 54.13 51.72 1wf5 s LEU 68 Cb -0.02 -1.77 -0.25 0.00 0.03 0.00 0.00 46.19 44.18 1wf5 s LEU 68 CO 0.51 -0.29 0.56 0.00 0.23 0.00 0.00 176.35 177.36 1wf5 h ALA 69 N 8.07 0.53 -2.81 4.21 0.00 -1.84 -0.95 119.26 126.47 1wf5 h ALA 69 Ca -0.22 -1.37 -0.72 0.00 0.00 0.00 0.00 54.91 52.61 1wf5 h ALA 69 Cb 1.07 0.55 -0.31 0.00 0.00 0.00 0.00 17.79 19.10 1wf5 h ALA 69 CO 0.56 1.38 -0.45 -1.54 0.00 0.00 0.00 179.25 179.20 1wf5 s SER 70 N -6.70 5.55 0.18 0.00 1.04 -1.26 -4.34 113.70 108.18 1wf5 s SER 70 Ca -0.14 -1.91 0.11 0.00 0.48 0.00 0.00 55.95 54.49 1wf5 s SER 70 Cb 0.07 -1.95 -0.04 0.00 0.10 0.00 0.00 66.02 64.20 1wf5 s SER 70 CO 0.80 -0.63 -0.20 -0.69 0.98 0.00 0.00 173.24 173.50 1wf5 s VAL 71 N 1.30 2.58 0.29 5.02 1.01 -1.23 -4.93 120.40 124.43 1wf5 s VAL 71 Ca 0.06 -1.91 -0.29 0.00 0.00 0.00 0.00 61.98 59.84 1wf5 s VAL 71 Cb -0.25 -2.24 -0.10 0.00 0.00 0.00 0.00 36.38 33.79 1wf5 s VAL 71 CO -0.02 -0.10 1.31 -0.62 0.00 0.00 0.00 175.10 175.67 1wf5 s ASP 72 N -2.66 6.83 0.20 3.32 2.15 -1.26 -3.18 116.67 122.07 1wf5 s ASP 72 Ca 0.21 2.58 0.06 0.00 0.43 0.00 0.00 52.55 55.84 1wf5 s ASP 72 Cb -0.08 -2.64 0.12 0.00 -0.30 0.00 0.00 42.92 40.02 1wf5 s ASP 72 CO 0.11 -0.52 1.46 1.55 -0.17 0.00 0.00 175.17 177.61 1wf5 h PRO 73 N 4.08 0.10 -0.79 4.34 0.13 -1.87 -2.90 132.00 135.09 1wf5 h PRO 73 Ca -0.47 -0.10 -0.06 0.00 -0.87 0.00 0.00 66.00 64.49 1wf5 h PRO 73 Cb 1.22 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 1wf5 h PRO 73 CO 0.70 0.82 0.08 1.63 -0.23 0.00 0.00 178.00 181.00 1wf5 n LYS 74 N -3.69 3.09 -4.61 0.86 5.02 -1.26 -4.86 118.16 112.72 1wf5 n LYS 74 Ca -0.02 -1.93 -0.34 0.00 -2.02 0.00 0.00 58.31 54.00 1wf5 n LYS 74 Cb 0.74 -1.93 -0.11 0.00 -0.02 0.00 0.00 35.03 33.71 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 -2.08 3.00 0.00 7.82 0.00 -1.10 -4.98 121.76 124.42 1wf5 s ALA 75 Ca 0.34 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1wf5 s ALA 75 Cb 0.26 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 22.13 1wf5 s ALA 75 CO 0.09 0.56 0.42 0.25 0.00 0.00 0.00 175.76 177.08 1wf5 n THR 76 N 2.27 0.04 -3.85 0.00 -2.24 -1.26 -4.92 114.28 104.33 1wf5 n THR 76 Ca -0.18 -0.42 -0.12 0.00 -2.27 0.00 0.00 64.05 61.07 1wf5 n THR 76 Cb 0.53 1.18 -0.12 0.00 -2.10 0.00 0.00 70.33 69.82 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 -0.04 -0.08 0.04 3.42 1.04 -1.26 -0.17 113.70 116.65 1wf5 s SER 77 Ca 0.00 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1wf5 s SER 77 Cb 0.00 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 1wf5 s SER 77 CO 0.00 -0.14 -0.04 0.54 0.98 0.00 0.00 173.24 174.58 1wf5 s VAL 78 N -0.36 0.27 -0.23 5.02 0.11 0.54 -4.96 120.40 120.80 1wf5 s VAL 78 Ca -0.04 -1.34 -0.00 0.00 -2.93 0.00 0.00 61.98 57.66 1wf5 s VAL 78 Cb -0.03 -0.87 0.03 0.00 -1.53 0.00 0.00 36.38 33.97 1wf5 s VAL 78 CO 0.00 -0.69 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.10 1wf5 s THR 79 N -2.48 2.60 0.28 5.04 2.01 -1.26 0.20 115.64 122.03 1wf5 s THR 79 Ca -0.05 -1.07 -0.14 0.00 0.31 0.00 0.00 61.69 60.75 1wf5 s THR 79 Cb -0.03 -2.29 -0.08 0.00 0.01 0.00 0.00 72.50 70.11 1wf5 s THR 79 CO -0.04 0.26 0.67 -0.69 -0.69 0.00 0.00 174.62 174.13 1wf5 s VAL 80 N 1.29 4.75 0.26 3.82 1.01 -0.19 -4.90 120.40 126.44 1wf5 s VAL 80 Ca 0.00 0.83 0.01 0.00 0.00 0.00 0.00 61.98 62.83 1wf5 s VAL 80 Cb -0.16 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1wf5 s VAL 80 CO -0.07 -0.11 0.22 -0.54 0.00 0.00 0.00 175.10 174.61 1wf5 s LYS 81 N -2.82 1.46 -1.01 2.72 1.02 -1.26 -1.96 119.74 117.89 1wf5 s LYS 81 Ca 0.51 -1.76 -0.04 0.00 0.02 0.00 0.00 55.97 54.70 1wf5 s LYS 81 Cb -0.11 0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 37.46 1wf5 s LYS 81 CO 0.19 -0.52 0.87 0.41 -0.92 0.00 0.00 175.35 175.38 1wf5 n GLY 82 N -0.42 -0.78 3.91 -3.33 0.00 -1.14 -4.96 105.19 98.46 1wf5 n GLY 82 Ca 0.04 0.38 -0.27 0.00 0.00 0.00 0.00 46.02 46.17 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 -5.44 2.65 -0.06 0.99 1.43 -1.18 -5.09 118.68 111.98 1wf5 s LEU 83 Ca 0.29 -1.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.14 1wf5 s LEU 83 Cb -0.04 -1.14 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 1wf5 s LEU 83 CO 0.68 -1.16 -0.11 -0.69 0.23 0.00 0.00 176.35 175.30 1wf5 s VAL 84 N -2.79 3.32 0.39 -1.59 1.01 -1.26 -4.93 120.40 114.54 1wf5 s VAL 84 Ca 0.33 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 1wf5 s VAL 84 Cb -0.02 -2.33 -0.09 0.00 0.00 0.00 0.00 36.38 33.94 1wf5 s VAL 84 CO 0.21 0.59 1.06 -2.16 0.00 0.00 0.00 175.10 174.80 1wf5 s PRO 85 N -0.72 4.21 -1.17 2.72 0.04 -1.26 -3.67 135.00 135.15 1wf5 s PRO 85 Ca 0.11 1.55 -0.00 0.00 0.04 0.00 0.00 61.00 62.70 1wf5 s PRO 85 Cb -0.11 -2.61 -0.00 0.00 0.04 0.00 0.00 34.50 31.81 1wf5 s PRO 85 CO 0.01 -0.11 0.98 0.00 0.04 0.00 0.00 177.00 177.92 1wf5 n ALA 86 N 0.07 -2.00 -3.26 8.56 0.00 -0.90 -4.80 120.51 118.18 1wf5 n ALA 86 Ca 0.04 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 1wf5 n ALA 86 Cb 0.49 -2.50 -0.10 0.00 0.00 0.00 0.00 19.45 17.34 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 -5.30 0.54 0.43 0.00 0.52 -1.24 -4.90 118.95 109.00 1wf5 s ARG 87 Ca 0.02 0.23 -0.20 0.00 -0.52 0.00 0.00 55.73 55.25 1wf5 s ARG 87 Cb -0.00 0.25 -0.11 0.00 0.52 0.00 0.00 34.95 35.61 1wf5 s ARG 87 CO 0.72 -0.11 0.95 -1.12 0.02 0.00 0.00 175.30 175.75 1wf5 s SER 88 N -0.43 6.90 -0.11 0.23 0.01 -1.26 -0.79 113.70 118.26 1wf5 s SER 88 Ca -0.06 1.66 -0.05 0.00 1.31 0.00 0.00 55.95 58.82 1wf5 s SER 88 Cb -0.04 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.71 1wf5 s SER 88 CO 0.02 -0.38 0.23 -0.31 0.41 0.00 0.00 173.24 173.21 1wf5 s TYR 89 N -2.22 -0.32 0.24 2.43 2.02 0.48 -3.44 117.35 116.53 1wf5 s TYR 89 Ca 0.61 0.79 0.08 0.00 -0.37 0.00 0.00 57.07 58.18 1wf5 s TYR 89 Cb -0.09 -0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.41 1wf5 s TYR 89 CO 0.15 -0.26 0.11 -0.65 -1.57 0.00 0.00 175.55 173.33 1wf5 s GLN 90 N 1.68 2.69 -0.00 -0.62 -0.21 0.48 -2.85 119.66 120.83 1wf5 s GLN 90 Ca -0.05 -1.15 -0.04 0.00 0.02 0.00 0.00 55.36 54.14 1wf5 s GLN 90 Cb -0.11 -2.43 -0.00 0.00 1.00 0.00 0.00 33.01 31.46 1wf5 s GLN 90 CO -0.08 0.40 0.08 -0.06 -2.12 0.00 0.00 175.29 173.51 1wf5 s PHE 91 N -2.11 0.08 -0.30 0.91 0.08 -1.26 -1.41 117.98 113.97 1wf5 s PHE 91 Ca 0.32 -0.18 -0.04 0.00 0.12 0.00 0.00 56.93 57.15 1wf5 s PHE 91 Cb -0.08 -0.08 0.19 0.00 -0.57 0.00 0.00 43.02 42.49 1wf5 s PHE 91 CO 0.23 -0.21 0.82 -0.98 -0.10 0.00 0.00 175.22 174.98 1wf5 s ARG 92 N -1.10 0.37 0.14 0.44 1.70 -0.58 -2.71 118.95 117.20 1wf5 s ARG 92 Ca -0.12 0.48 0.07 0.00 -0.47 0.00 0.00 55.73 55.69 1wf5 s ARG 92 Cb -0.07 0.24 -0.04 0.00 -0.57 0.00 0.00 34.95 34.51 1wf5 s ARG 92 CO 0.00 -0.57 -0.03 -0.48 -1.08 0.00 0.00 175.30 173.15 1wf5 s LEU 93 N 2.90 3.27 0.47 -1.89 2.34 -1.26 -1.53 118.68 122.98 1wf5 s LEU 93 Ca 0.15 -0.35 0.05 0.00 0.06 0.00 0.00 54.13 54.04 1wf5 s LEU 93 Cb -0.09 -1.98 -0.03 0.00 -0.56 0.00 0.00 46.19 43.53 1wf5 s LEU 93 CO -0.21 0.13 0.08 0.00 -1.06 0.00 0.00 176.35 175.30 1wf5 s ALA 95 N -2.76 3.41 -0.09 0.00 0.00 -1.24 -3.69 121.76 117.39 1wf5 s ALA 95 Ca 0.24 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.17 1wf5 s ALA 95 Cb 0.04 -2.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 1wf5 s ALA 95 CO 0.13 -0.47 -0.21 0.08 0.00 0.00 0.00 175.76 175.30 1wf5 s VAL 96 N 1.59 2.38 0.18 0.00 1.01 -0.41 -2.26 120.40 122.88 1wf5 s VAL 96 Ca 0.07 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1wf5 s VAL 96 Cb -0.15 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1wf5 s VAL 96 CO 0.08 0.56 0.16 -0.46 0.00 0.00 0.00 175.10 175.44 1wf5 n ASN 97 N 3.29 -0.42 -0.10 3.32 6.94 0.11 -0.60 115.26 127.80 1wf5 n ASN 97 Ca -0.18 -2.14 -0.06 0.00 -0.02 0.00 0.00 54.58 52.17 1wf5 n ASN 97 Cb 0.53 0.95 -0.00 0.00 -2.36 0.00 0.00 39.78 38.89 1wf5 n ASN 97 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1wf5 h ASP 98 N 1.08 -0.72 -0.79 0.53 1.82 -1.91 -0.23 116.42 116.19 1wf5 h ASP 98 Ca -0.13 0.15 0.15 0.00 -0.39 0.00 0.00 57.03 56.81 1wf5 h ASP 98 Cb 0.63 0.37 -0.15 0.00 0.68 0.00 0.00 39.33 40.87 1wf5 h ASP 98 CO 0.18 -0.25 -0.25 -0.37 -1.61 0.00 0.00 179.24 176.94 1wf5 h VAL 99 N -0.17 0.16 0.00 2.25 -1.51 -1.91 -3.47 116.25 111.61 1wf5 h VAL 99 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.65 1wf5 h VAL 99 Cb 0.44 0.16 0.00 0.00 -2.13 0.00 0.00 31.29 29.76 1wf5 h VAL 99 CO -0.45 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.50 1wf5 n GLY 100 N -1.50 -0.52 3.05 5.19 0.00 -0.10 -5.02 105.19 106.29 1wf5 n GLY 100 Ca 0.10 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 1wf5 n GLY 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wf5 s LYS 101 N -0.74 1.30 0.00 1.61 2.20 -1.26 0.05 119.74 122.90 1wf5 s LYS 101 Ca 0.00 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 1wf5 s LYS 101 Cb 0.00 -1.16 0.00 0.00 -1.51 0.00 0.00 37.83 35.16 1wf5 s LYS 101 CO 0.00 0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.55 1wf5 n GLY 102 N 3.28 0.62 3.84 5.54 0.00 -0.96 -4.90 105.19 112.61 1wf5 n GLY 102 Ca -0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1wf5 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wf5 s GLN 103 N 2.77 2.41 0.60 1.61 0.00 -1.26 -4.91 119.66 120.88 1wf5 s GLN 103 Ca 0.00 -1.68 0.10 0.00 -0.00 0.00 0.00 55.36 53.78 1wf5 s GLN 103 Cb 0.00 -2.23 0.10 0.00 0.00 0.00 0.00 33.01 30.88 1wf5 s GLN 103 CO 0.00 -0.21 0.82 -0.06 0.00 0.00 0.00 175.29 175.84 1wf5 s PHE 104 N -2.54 1.20 0.14 9.60 0.40 -1.26 -3.59 117.98 121.93 1wf5 s PHE 104 Ca 0.45 -0.77 0.01 0.00 -0.60 0.00 0.00 56.93 56.01 1wf5 s PHE 104 Cb -0.01 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.30 1wf5 s PHE 104 CO 0.26 -1.26 0.29 -1.54 0.70 0.00 0.00 175.22 173.67 1wf5 s SER 105 N -4.71 6.36 1.02 1.36 1.04 -0.98 -4.67 113.70 113.12 1wf5 s SER 105 Ca 0.63 0.25 -0.17 0.00 0.48 0.00 0.00 55.95 57.13 1wf5 s SER 105 Cb -0.05 -1.94 0.01 0.00 0.10 0.00 0.00 66.02 64.13 1wf5 s SER 105 CO 0.40 0.06 -0.10 0.29 0.98 0.00 0.00 173.24 174.87 1wf5 n LYS 106 N -0.35 -0.62 -2.38 4.02 4.76 -1.26 -4.65 118.16 117.68 1wf5 n LYS 106 Ca -0.06 -0.16 -0.43 0.00 -2.87 0.00 0.00 58.31 54.79 1wf5 n LYS 106 Cb 0.53 -1.59 -0.02 0.00 -1.84 0.00 0.00 35.03 32.11 1wf5 n LYS 106 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1wf5 s ASP 107 N -1.71 6.56 0.46 4.39 -4.77 -1.26 -4.68 116.67 115.66 1wf5 s ASP 107 Ca 0.52 1.15 -0.22 0.00 -3.30 0.00 0.00 52.55 50.69 1wf5 s ASP 107 Cb -0.15 -2.54 -0.10 0.00 -1.09 0.00 0.00 42.92 39.04 1wf5 s ASP 107 CO 0.69 -1.19 0.82 0.35 0.70 0.00 0.00 175.17 176.55 1wf5 n THR 108 N 6.45 2.40 -1.61 2.11 -2.24 -1.10 -4.77 114.28 115.52 1wf5 n THR 108 Ca 0.16 -0.50 -0.53 0.00 -2.27 0.00 0.00 64.05 60.91 1wf5 n THR 108 Cb 0.47 -0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 67.71 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 0.10 1.13 -1.22 -0.78 2.13 -1.26 -4.58 120.64 116.16 1wf5 n GLU 109 Ca 0.11 0.41 -0.41 0.00 0.66 0.00 0.00 57.16 57.93 1wf5 n GLU 109 Cb 0.41 -2.06 -0.12 0.00 0.27 0.00 0.00 31.44 29.95 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 2.90 0.00 -3.38 5.31 0.63 -1.26 -4.83 116.66 116.03 1wf5 n ARG 110 Ca 0.20 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.73 1wf5 n ARG 110 Cb 0.18 -1.29 -0.09 0.00 0.45 0.00 0.00 32.46 31.71 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 6.88 5.17 -0.05 5.15 1.01 -1.13 -4.91 120.40 132.51 1wf5 s VAL 111 Ca 1.13 0.61 -0.01 0.00 0.00 0.00 0.00 61.98 63.71 1wf5 s VAL 111 Cb -1.16 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 31.47 1wf5 s VAL 111 CO 0.47 0.16 0.03 -0.94 0.00 0.00 0.00 175.10 174.82 1wf5 s SER 112 N 1.58 5.36 0.39 3.32 1.04 -1.26 0.18 113.70 124.31 1wf5 s SER 112 Ca 0.16 0.12 -0.07 0.00 0.48 0.00 0.00 55.95 56.64 1wf5 s SER 112 Cb -0.16 -1.50 -0.05 0.00 0.10 0.00 0.00 66.02 64.41 1wf5 s SER 112 CO 0.10 0.33 0.70 -0.22 0.98 0.00 0.00 173.24 175.13 1wf5 s LEU 113 N -1.27 3.84 0.16 2.42 2.96 0.03 -4.91 118.68 121.91 1wf5 s LEU 113 Ca 0.17 0.91 -0.30 0.00 -0.22 0.00 0.00 54.13 54.69 1wf5 s LEU 113 Cb -0.12 -3.80 -0.07 0.00 0.50 0.00 0.00 46.19 42.71 1wf5 s LEU 113 CO 0.07 -0.39 1.12 -2.16 -1.32 0.00 0.00 176.35 173.67 1wf5 s PRO 114 N -4.09 4.56 0.16 0.98 0.04 -1.26 -2.12 135.00 133.27 1wf5 s PRO 114 Ca 0.47 1.74 -0.31 0.00 0.04 0.00 0.00 61.00 62.94 1wf5 s PRO 114 Cb -0.10 -3.28 -0.10 0.00 0.04 0.00 0.00 34.50 31.06 1wf5 s PRO 114 CO 0.35 0.01 1.52 -2.00 0.04 0.00 0.00 177.00 176.93 1wf5 s GLU 115 N -0.14 4.24 -0.77 4.56 -6.30 -1.26 -3.23 118.70 115.80 1wf5 s GLU 115 Ca 0.51 2.30 -0.23 0.00 -2.50 0.00 0.00 54.97 55.05 1wf5 s GLU 115 Cb -0.30 -3.17 0.07 0.00 0.00 0.00 0.00 34.13 30.73 1wf5 s GLU 115 CO 0.34 -0.56 1.12 0.45 0.02 0.00 0.00 175.26 176.63 1wf5 s SER 116 N 1.08 6.29 0.00 -1.70 0.15 -1.26 -4.70 113.70 113.55 1wf5 s SER 116 Ca 0.68 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1wf5 s SER 116 Cb -0.42 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.42 1wf5 s SER 116 CO 0.32 -1.47 0.00 0.61 1.20 0.00 0.00 173.24 173.90 1wf5 n GLY 117 N 5.55 -0.38 3.57 9.45 0.00 -1.26 -5.03 105.19 117.10 1wf5 n GLY 117 Ca 0.07 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 1wf5 n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wf5 s PRO 118 N -2.00 3.19 -0.30 1.61 0.04 -1.26 -4.85 135.00 131.43 1wf5 s PRO 118 Ca 0.00 -1.25 -0.02 0.00 0.04 0.00 0.00 61.00 59.77 1wf5 s PRO 118 Cb 0.00 -5.33 0.10 0.00 0.04 0.00 0.00 34.50 29.31 1wf5 s PRO 118 CO 0.00 -2.98 0.11 0.45 0.04 0.00 0.00 177.00 174.62 1wf5 s SER 119 N 5.77 3.76 -0.10 6.66 0.15 -1.26 -5.09 113.70 123.59 1wf5 s SER 119 Ca 0.60 -1.45 -0.30 0.00 0.70 0.00 0.00 55.95 55.50 1wf5 s SER 119 Cb -0.00 -0.63 -0.07 0.00 -1.71 0.00 0.00 66.02 63.60 1wf5 s SER 119 CO 0.04 -0.42 2.09 -0.24 1.20 0.00 0.00 173.24 175.92 1wf5 n SER 120 N 5.03 3.63 0.00 5.45 2.88 -1.26 -5.03 113.62 124.31 1wf5 n SER 120 Ca -0.04 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1wf5 n SER 120 Cb 0.42 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.36 1wf5 n SER 120 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42