#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wn6 n SER 4 N 0.00 2.75 -0.13 -1.43 2.88 -1.26 -4.85 113.62 111.58 1wn6 n SER 4 Ca 0.00 1.02 -0.12 0.00 -1.33 0.00 0.00 58.87 58.44 1wn6 n SER 4 Cb 0.00 -1.57 -0.00 0.00 -0.75 0.00 0.00 64.21 61.89 1wn6 n SER 4 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1wn6 h GLN 5 N 1.67 0.94 -0.59 -1.46 5.75 -2.05 0.31 115.11 119.69 1wn6 h GLN 5 Ca -0.50 -0.46 -0.07 0.00 -0.15 0.00 0.00 58.65 57.47 1wn6 h GLN 5 Cb 1.30 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.82 1wn6 h GLN 5 CO 0.58 1.12 0.08 0.93 -2.65 0.00 0.00 178.83 178.89 1wn6 h GLU 6 N 0.78 0.96 -0.05 1.69 3.07 -1.99 -0.98 114.58 118.07 1wn6 h GLU 6 Ca 0.08 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.36 58.68 1wn6 h GLU 6 Cb 0.91 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1wn6 h GLU 6 CO 0.08 0.90 -0.03 0.93 -1.40 0.00 0.00 179.01 179.50 1wn6 h GLU 7 N 0.91 0.11 -0.95 2.33 5.08 -1.88 -2.07 114.58 118.10 1wn6 h GLU 7 Ca 0.18 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1wn6 h GLU 7 Cb 0.42 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1wn6 h GLU 7 CO 0.01 0.50 0.61 1.03 -1.00 0.00 0.00 179.01 180.16 1wn6 h SER 8 N -0.29 1.11 -0.35 1.42 0.87 -0.85 -1.68 113.55 113.78 1wn6 h SER 8 Ca 0.01 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.47 1wn6 h SER 8 Cb 0.47 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1wn6 h SER 8 CO 0.01 0.82 0.00 0.74 -0.53 0.00 0.00 176.83 177.87 1wn6 h THR 9 N 1.30 1.26 -0.41 2.23 2.02 -1.14 0.03 112.91 118.19 1wn6 h THR 9 Ca 0.35 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 1wn6 h THR 9 Cb -0.12 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1wn6 h THR 9 CO -0.07 0.32 0.22 -0.07 0.37 0.00 0.00 175.52 176.29 1wn6 h LEU 10 N 0.43 0.52 -0.81 2.58 3.38 -1.10 -0.15 115.31 120.16 1wn6 h LEU 10 Ca 0.10 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1wn6 h LEU 10 Cb 0.45 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1wn6 h LEU 10 CO 0.02 0.46 0.48 0.40 0.09 0.00 0.00 178.44 179.89 1wn6 h ILE 11 N 0.53 1.23 -0.35 1.22 2.04 -1.20 -1.84 117.51 119.13 1wn6 h ILE 11 Ca 0.14 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 1wn6 h ILE 11 Cb 0.07 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 1wn6 h ILE 11 CO -0.02 0.24 0.16 -0.08 0.00 0.00 0.00 178.15 178.45 1wn6 h GLU 12 N 1.12 0.52 -0.62 2.37 4.22 -0.51 -0.00 114.58 121.66 1wn6 h GLU 12 Ca 0.29 -0.08 -0.03 0.00 0.08 0.00 0.00 59.36 59.61 1wn6 h GLU 12 Cb -0.03 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1wn6 h GLU 12 CO -0.05 0.48 0.26 0.00 -2.18 0.00 0.00 179.01 177.52 1wn6 h ARG 13 N 0.43 0.92 -0.33 1.92 2.47 -0.79 0.53 114.38 119.54 1wn6 h ARG 13 Ca 0.12 -0.16 -0.09 0.00 -1.26 0.00 0.00 59.98 58.59 1wn6 h ARG 13 Cb 0.15 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 1wn6 h ARG 13 CO -0.01 0.77 -0.14 0.00 0.56 0.00 0.00 179.97 181.14 1wn6 h ALA 14 N 1.11 0.46 -0.29 0.04 0.00 -1.23 -1.59 119.26 117.76 1wn6 h ALA 14 Ca 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1wn6 h ALA 14 Cb 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1wn6 h ALA 14 CO -0.02 0.35 0.14 1.15 0.00 0.00 0.00 179.25 180.87 1wn6 h THR 15 N 0.44 1.15 -0.36 0.00 2.02 -0.80 -1.95 112.91 113.40 1wn6 h THR 15 Ca 0.07 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 1wn6 h THR 15 Cb 0.67 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1wn6 h THR 15 CO 0.04 0.15 0.08 0.00 0.37 0.00 0.00 175.52 176.16 1wn6 h ALA 16 N 1.00 1.46 0.04 6.16 0.00 -0.87 -1.73 119.26 125.34 1wn6 h ALA 16 Ca 0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wn6 h ALA 16 Cb 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1wn6 h ALA 16 CO -0.01 0.39 -0.02 1.15 0.00 0.00 0.00 179.25 180.76 1wn6 h THR 17 N 0.52 1.14 -0.25 0.00 2.02 -0.86 -2.61 112.91 112.88 1wn6 h THR 17 Ca 0.12 -0.60 -0.10 0.00 0.77 0.00 0.00 66.41 66.60 1wn6 h THR 17 Cb 0.22 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1wn6 h THR 17 CO -0.00 0.15 -0.27 -0.29 0.37 0.00 0.00 175.52 175.48 1wn6 h ILE 18 N -0.32 1.27 0.00 3.11 6.09 -1.20 -2.83 117.51 123.63 1wn6 h ILE 18 Ca -0.01 -1.31 0.00 0.00 -1.37 0.00 0.00 64.86 62.18 1wn6 h ILE 18 Cb 0.29 1.38 0.00 0.00 0.47 0.00 0.00 36.82 38.96 1wn6 h ILE 18 CO 0.01 0.41 0.00 0.59 -3.07 0.00 0.00 178.15 176.09 1wn6 n ASN 19 N -4.11 0.00 -0.25 2.19 3.02 -0.66 -3.19 115.26 112.26 1wn6 n ASN 19 Ca -0.01 -0.03 0.12 0.00 -0.03 0.00 0.00 54.58 54.63 1wn6 n ASN 19 Cb 0.42 -0.31 0.23 0.00 -0.61 0.00 0.00 39.78 39.52 1wn6 n ASN 19 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1wn6 n SER 20 N -1.31 1.17 -4.63 6.41 3.41 -0.99 -4.92 113.62 112.77 1wn6 n SER 20 Ca 0.12 -0.94 -0.24 0.00 -0.26 0.00 0.00 58.87 57.54 1wn6 n SER 20 Cb 0.22 0.30 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 1wn6 n SER 20 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1wn6 s ILE 21 N -2.61 3.41 0.47 -1.33 -4.36 -1.19 -5.10 121.20 110.49 1wn6 s ILE 21 Ca 0.20 -1.79 -0.25 0.00 -0.26 0.00 0.00 60.65 58.55 1wn6 s ILE 21 Cb 0.18 -2.78 -0.08 0.00 1.25 0.00 0.00 42.46 41.04 1wn6 s ILE 21 CO 0.59 -0.27 1.42 -2.65 0.24 0.00 0.00 174.94 174.26 1wn6 n PRO 22 N -0.55 2.13 -1.70 0.37 -0.02 -1.26 -4.89 135.00 129.08 1wn6 n PRO 22 Ca -0.08 0.76 -0.43 0.00 -2.02 0.00 0.00 63.50 61.74 1wn6 n PRO 22 Cb 0.58 -2.62 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 1wn6 n PRO 22 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1wn6 n ILE 23 N -0.39 0.21 -3.85 4.25 5.41 -1.26 -4.97 119.36 118.76 1wn6 n ILE 23 Ca 0.06 -0.04 -0.12 0.00 1.00 0.00 0.00 62.75 63.66 1wn6 n ILE 23 Cb 0.42 -2.01 -0.10 0.00 -0.71 0.00 0.00 39.64 37.25 1wn6 n ILE 23 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1wn6 s SER 24 N 2.07 -0.02 0.09 4.38 0.15 -1.26 -5.03 113.70 114.08 1wn6 s SER 24 Ca 0.80 -0.14 0.24 0.00 0.70 0.00 0.00 55.95 57.55 1wn6 s SER 24 Cb -0.52 0.23 0.37 0.00 -1.71 0.00 0.00 66.02 64.39 1wn6 s SER 24 CO 0.36 -0.38 1.33 -0.62 1.20 0.00 0.00 173.24 175.13 1wn6 n GLU 25 N 1.45 0.23 0.01 5.44 1.02 -1.26 -3.77 120.64 123.77 1wn6 n GLU 25 Ca -0.22 0.06 -0.17 0.00 -0.02 0.00 0.00 57.16 56.81 1wn6 n GLU 25 Cb 0.56 -1.64 -0.14 0.00 -0.02 0.00 0.00 31.44 30.19 1wn6 n GLU 25 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1wn6 h ASP 26 N 0.00 0.29 -3.72 1.62 3.45 -1.95 -3.42 116.42 112.69 1wn6 h ASP 26 Ca 0.00 -0.61 -0.62 0.00 0.43 0.00 0.00 57.03 56.23 1wn6 h ASP 26 Cb 0.70 -0.09 -0.40 0.00 -0.56 0.00 0.00 39.33 38.97 1wn6 h ASP 26 CO 0.00 1.54 -0.70 -0.31 -1.57 0.00 0.00 179.24 178.20 1wn6 s TYR 27 N -2.58 2.49 -0.05 4.55 4.12 -1.25 -1.14 117.35 123.49 1wn6 s TYR 27 Ca -0.15 -2.75 0.00 0.00 0.02 0.00 0.00 57.07 54.19 1wn6 s TYR 27 Cb 0.07 -2.24 0.00 0.00 -1.52 0.00 0.00 41.96 38.28 1wn6 s TYR 27 CO 0.80 -0.75 0.56 -1.13 0.02 0.00 0.00 175.55 175.05 1wn6 n SER 28 N 3.23 1.13 -3.87 2.29 3.41 -1.25 -4.09 113.62 114.47 1wn6 n SER 28 Ca 0.09 -1.11 -0.12 0.00 -0.26 0.00 0.00 58.87 57.48 1wn6 n SER 28 Cb 0.34 -0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.16 1wn6 n SER 28 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wn6 s VAL 29 N -0.12 0.02 0.24 -3.33 1.01 -1.26 -1.00 120.40 115.96 1wn6 s VAL 29 Ca 0.00 -0.14 0.11 0.00 0.00 0.00 0.00 61.98 61.96 1wn6 s VAL 29 Cb 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 36.23 1wn6 s VAL 29 CO 0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 175.10 174.85 1wn6 s ALA 30 N -0.22 2.76 0.04 5.51 0.00 -0.60 -1.30 121.76 127.94 1wn6 s ALA 30 Ca -0.03 -1.74 -0.02 0.00 0.00 0.00 0.00 51.96 50.17 1wn6 s ALA 30 Cb -0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1wn6 s ALA 30 CO -0.00 0.34 0.01 0.45 0.00 0.00 0.00 175.76 176.57 1wn6 s SER 31 N -3.22 0.33 -0.04 0.00 0.15 0.04 -0.42 113.70 110.54 1wn6 s SER 31 Ca 0.27 -0.73 -0.04 0.00 0.70 0.00 0.00 55.95 56.15 1wn6 s SER 31 Cb -0.06 0.19 0.01 0.00 -1.71 0.00 0.00 66.02 64.45 1wn6 s SER 31 CO 0.14 -0.51 0.11 0.00 1.20 0.00 0.00 173.24 174.19 1wn6 s ALA 32 N -2.95 -0.27 0.04 5.45 0.00 -0.74 -2.18 121.76 121.10 1wn6 s ALA 32 Ca -0.02 0.35 0.03 0.00 0.00 0.00 0.00 51.96 52.31 1wn6 s ALA 32 Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1wn6 s ALA 32 CO -0.06 -0.06 -0.09 0.00 0.00 0.00 0.00 175.76 175.55 1wn6 s ALA 33 N 0.17 0.69 -0.15 0.00 0.00 -0.19 -1.42 121.76 120.86 1wn6 s ALA 33 Ca -0.01 -0.69 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 1wn6 s ALA 33 Cb -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1wn6 s ALA 33 CO -0.00 0.06 0.11 -1.17 0.00 0.00 0.00 175.76 174.75 1wn6 s LEU 34 N -1.25 4.14 0.14 0.00 2.96 -0.02 -1.16 118.68 123.48 1wn6 s LEU 34 Ca -0.05 0.29 0.03 0.00 -0.22 0.00 0.00 54.13 54.18 1wn6 s LEU 34 Cb -0.08 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1wn6 s LEU 34 CO 0.01 0.29 0.24 -0.94 -1.32 0.00 0.00 176.35 174.63 1wn6 s SER 35 N -0.34 6.16 0.53 3.68 1.04 -0.04 -0.81 113.70 123.92 1wn6 s SER 35 Ca 0.10 0.12 0.34 0.00 0.48 0.00 0.00 55.95 57.00 1wn6 s SER 35 Cb -0.12 -1.81 1.50 0.00 0.10 0.00 0.00 66.02 65.69 1wn6 s SER 35 CO 0.01 0.08 2.01 0.77 0.98 0.00 0.00 173.24 177.09 1wn6 h SER 36 N 2.38 0.00 -0.41 7.02 4.64 -1.46 -2.72 113.55 122.99 1wn6 h SER 36 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1wn6 h SER 36 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1wn6 h SER 36 CO 0.69 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.75 1wn6 n ASP 37 N -2.96 2.95 -0.48 4.97 3.85 -1.26 -4.93 116.55 118.69 1wn6 n ASP 37 Ca 0.00 -2.22 0.00 0.00 -0.71 0.00 0.00 54.79 51.86 1wn6 n ASP 37 Cb 0.25 -0.42 0.00 0.00 -1.35 0.00 0.00 41.12 39.60 1wn6 n ASP 37 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wn6 n GLY 38 N 0.89 0.78 3.12 6.12 0.00 -1.03 -5.11 105.19 109.96 1wn6 n GLY 38 Ca 0.16 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 1wn6 n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wn6 s ARG 39 N -3.11 0.77 -0.07 1.61 0.52 -1.25 -4.99 118.95 112.42 1wn6 s ARG 39 Ca 0.00 -1.32 0.01 0.00 -0.52 0.00 0.00 55.73 53.90 1wn6 s ARG 39 Cb 0.00 0.19 0.02 0.00 0.52 0.00 0.00 34.95 35.68 1wn6 s ARG 39 CO 0.00 -0.17 -0.08 0.42 0.02 0.00 0.00 175.30 175.49 1wn6 s ILE 40 N -3.95 0.88 -0.04 1.52 1.01 -1.26 -0.86 121.20 118.50 1wn6 s ILE 40 Ca 0.15 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.55 1wn6 s ILE 40 Cb 0.08 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 1wn6 s ILE 40 CO -0.05 0.31 -0.15 -0.36 0.00 0.00 0.00 174.94 174.69 1wn6 s PHE 41 N 1.04 2.67 0.38 3.97 0.40 -0.31 -4.94 117.98 121.20 1wn6 s PHE 41 Ca -0.08 -0.18 0.05 0.00 -0.60 0.00 0.00 56.93 56.12 1wn6 s PHE 41 Cb -0.14 -1.60 -0.07 0.00 0.51 0.00 0.00 43.02 41.72 1wn6 s PHE 41 CO -0.00 0.18 0.04 0.95 0.70 0.00 0.00 175.22 177.08 1wn6 s THR 42 N -0.75 1.53 0.00 0.64 -4.23 -1.26 -1.02 115.64 110.54 1wn6 s THR 42 Ca 0.12 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 1wn6 s THR 42 Cb -0.11 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.92 1wn6 s THR 42 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1wn6 n GLY 43 N -0.87 0.71 3.39 3.99 0.00 -0.93 -4.62 105.19 106.85 1wn6 n GLY 43 Ca -0.05 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 1wn6 n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wn6 s VAL 44 N -2.00 2.07 0.86 1.61 -7.23 -1.26 -0.78 120.40 113.67 1wn6 s VAL 44 Ca 0.00 -2.11 -0.12 0.00 -1.81 0.00 0.00 61.98 57.94 1wn6 s VAL 44 Cb 0.00 -2.04 0.11 0.00 0.56 0.00 0.00 36.38 35.00 1wn6 s VAL 44 CO 0.00 -0.34 1.10 0.54 -0.31 0.00 0.00 175.10 176.09 1wn6 s ASN 45 N -2.98 3.90 -0.32 4.85 4.22 -0.42 -4.55 114.94 119.64 1wn6 s ASN 45 Ca 0.21 1.31 -0.01 0.00 -2.14 0.00 0.00 52.86 52.24 1wn6 s ASN 45 Cb -0.05 -2.01 0.10 0.00 1.28 0.00 0.00 41.25 40.58 1wn6 s ASN 45 CO 0.09 -2.35 0.11 -0.69 -2.04 0.00 0.00 177.10 172.22 1wn6 s VAL 46 N -3.08 0.87 0.13 3.54 1.01 -0.21 -4.36 120.40 118.29 1wn6 s VAL 46 Ca 0.62 -1.45 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 1wn6 s VAL 46 Cb -0.16 -1.66 -0.07 0.00 0.00 0.00 0.00 36.38 34.49 1wn6 s VAL 46 CO 0.55 -0.70 1.25 -0.47 0.00 0.00 0.00 175.10 175.73 1wn6 s TYR 47 N 1.56 3.38 -0.28 5.22 6.14 -0.30 -3.06 117.35 130.02 1wn6 s TYR 47 Ca 0.10 1.27 -0.23 0.00 0.64 0.00 0.00 57.07 58.85 1wn6 s TYR 47 Cb -0.18 -3.49 0.10 0.00 0.42 0.00 0.00 41.96 38.81 1wn6 s TYR 47 CO -0.24 -1.52 0.85 -1.58 0.64 0.00 0.00 175.55 173.69 1wn6 s HIS 48 N 0.57 -0.70 0.60 4.97 2.46 -1.26 -4.82 115.29 117.11 1wn6 s HIS 48 Ca 0.57 1.62 0.30 0.00 0.47 0.00 0.00 55.06 58.03 1wn6 s HIS 48 Cb -0.33 0.36 1.77 0.00 -0.13 0.00 0.00 32.58 34.25 1wn6 s HIS 48 CO 0.33 -0.34 2.17 0.27 -2.47 0.00 0.00 174.74 174.70 1wn6 h PHE 49 N 5.06 0.00 0.00 3.88 -0.00 -1.96 0.74 116.94 124.66 1wn6 h PHE 49 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.68 1wn6 h PHE 49 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.13 1wn6 h PHE 49 CO 0.30 0.00 0.00 0.25 -0.00 0.00 0.00 178.31 178.86 1wn6 n THR 50 N -3.74 0.00 0.00 0.88 -2.24 -1.26 -4.82 114.28 103.10 1wn6 n THR 50 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1wn6 n THR 50 Cb 0.22 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1wn6 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wn6 n GLY 51 N 0.81 0.67 3.70 3.38 0.00 0.15 -5.06 105.19 108.84 1wn6 n GLY 51 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1wn6 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wn6 n GLY 52 N 0.00 0.58 3.77 -0.02 0.00 -0.58 -4.88 105.19 104.06 1wn6 n GLY 52 Ca 0.00 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1wn6 n GLY 52 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wn6 s PRO 53 N -2.18 4.25 0.83 1.61 0.04 -1.17 -4.62 135.00 133.76 1wn6 s PRO 53 Ca 0.60 2.36 -0.11 0.00 0.04 0.00 0.00 61.00 63.89 1wn6 s PRO 53 Cb -0.51 -3.03 0.09 0.00 0.04 0.00 0.00 34.50 31.09 1wn6 s PRO 53 CO 0.59 -0.33 1.09 0.00 0.04 0.00 0.00 177.00 178.39 1wn6 h ALA 55 N -1.29 1.33 -0.56 0.00 0.00 -1.83 -1.24 119.26 115.68 1wn6 h ALA 55 Ca -0.47 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.53 1wn6 h ALA 55 Cb 1.27 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1wn6 h ALA 55 CO 0.56 -0.02 0.37 0.93 0.00 0.00 0.00 179.25 181.09 1wn6 h GLU 56 N 0.71 0.65 -0.03 0.00 3.07 -1.91 -0.41 114.58 116.67 1wn6 h GLU 56 Ca 0.47 -0.04 -0.15 0.00 -0.50 0.00 0.00 59.36 59.14 1wn6 h GLU 56 Cb 0.61 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 1wn6 h GLU 56 CO -0.33 0.43 -0.67 -0.07 -1.40 0.00 0.00 179.01 176.97 1wn6 h LEU 57 N 0.67 0.15 -0.59 1.33 3.38 -1.58 -1.15 115.31 117.51 1wn6 h LEU 57 Ca 0.22 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1wn6 h LEU 57 Cb 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1wn6 h LEU 57 CO -0.06 0.77 -0.27 0.58 0.09 0.00 0.00 178.44 179.56 1wn6 h VAL 58 N 0.09 1.27 -0.69 1.22 2.07 -0.89 -2.37 116.25 116.95 1wn6 h VAL 58 Ca -0.01 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.07 1wn6 h VAL 58 Cb 1.20 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 1wn6 h VAL 58 CO 0.10 0.47 0.34 0.58 0.02 0.00 0.00 177.57 179.07 1wn6 h VAL 59 N 0.71 1.23 -0.87 2.57 2.07 -0.85 -1.31 116.25 119.80 1wn6 h VAL 59 Ca 0.09 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 66.98 1wn6 h VAL 59 Cb 0.81 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1wn6 h VAL 59 CO 0.07 0.27 0.57 -0.07 0.02 0.00 0.00 177.57 178.43 1wn6 h LEU 60 N 0.96 1.00 -0.66 2.57 4.07 -0.90 -0.45 115.31 121.90 1wn6 h LEU 60 Ca 0.24 -0.03 -0.14 0.00 0.08 0.00 0.00 57.88 58.03 1wn6 h LEU 60 Cb 0.11 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 1wn6 h LEU 60 CO -0.03 0.73 -0.66 1.23 -1.08 0.00 0.00 178.44 178.62 1wn6 h GLY 61 N 1.18 0.00 1.05 0.83 0.00 -1.02 -1.71 103.07 103.41 1wn6 h GLY 61 Ca 0.32 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.47 1wn6 h GLY 61 CO -0.07 0.00 -0.60 -0.84 0.00 0.00 0.00 176.54 175.03 1wn6 h THR 62 N 0.00 1.31 -0.26 4.70 2.02 -0.69 -1.65 112.91 118.34 1wn6 h THR 62 Ca -0.01 -1.84 -0.03 0.00 0.77 0.00 0.00 66.41 65.31 1wn6 h THR 62 Cb 1.18 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 1wn6 h THR 62 CO 0.09 0.58 0.05 0.00 0.37 0.00 0.00 175.52 176.60 1wn6 h ALA 63 N 0.55 0.35 -0.94 6.16 0.00 -1.07 -2.77 119.26 121.55 1wn6 h ALA 63 Ca -0.03 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1wn6 h ALA 63 Cb 1.23 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1wn6 h ALA 63 CO 0.13 0.02 0.62 0.00 0.00 0.00 0.00 179.25 180.02 1wn6 h ALA 64 N 0.87 1.40 0.00 0.00 0.00 -1.29 -0.31 119.26 119.94 1wn6 h ALA 64 Ca 0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wn6 h ALA 64 Cb 0.31 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1wn6 h ALA 64 CO 0.00 0.50 -0.02 0.00 0.00 0.00 0.00 179.25 179.74 1wn6 h ALA 65 N 1.45 1.07 -0.60 0.00 0.00 -1.02 -1.35 119.26 118.81 1wn6 h ALA 65 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1wn6 h ALA 65 Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1wn6 h ALA 65 CO -0.12 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.16 1wn6 n ALA 66 N -2.13 2.33 -3.79 0.00 0.00 -0.26 -4.94 120.51 111.73 1wn6 n ALA 66 Ca -0.02 -1.27 -0.27 0.00 0.00 0.00 0.00 53.44 51.88 1wn6 n ALA 66 Cb 0.17 -0.76 0.05 0.00 0.00 0.00 0.00 19.45 18.90 1wn6 n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wn6 n ALA 67 N 1.25 -1.34 0.08 0.00 0.00 -0.51 -4.87 120.51 115.12 1wn6 n ALA 67 Ca 0.20 0.25 0.05 0.00 0.00 0.00 0.00 53.44 53.94 1wn6 n ALA 67 Cb 0.57 -4.71 0.48 0.00 0.00 0.00 0.00 19.45 15.78 1wn6 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wn6 h ALA 68 N 0.98 1.77 0.00 0.00 0.00 -1.41 -3.48 119.26 117.11 1wn6 h ALA 68 Ca -0.58 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1wn6 h ALA 68 Cb 1.37 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wn6 h ALA 68 CO 0.63 0.21 0.00 0.41 0.00 0.00 0.00 179.25 180.49 1wn6 n GLY 69 N -1.43 0.30 3.70 0.00 0.00 -1.26 -4.61 105.19 101.89 1wn6 n GLY 69 Ca 0.01 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 1wn6 n GLY 69 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wn6 s ASN 70 N -4.00 7.18 -0.16 1.61 3.84 -1.26 -4.97 114.94 117.18 1wn6 s ASN 70 Ca 0.00 1.76 -0.08 0.00 0.21 0.00 0.00 52.86 54.75 1wn6 s ASN 70 Cb 0.00 -2.57 -0.04 0.00 -0.55 0.00 0.00 41.25 38.09 1wn6 s ASN 70 CO 0.00 -0.44 0.12 -0.76 -2.79 0.00 0.00 177.10 173.23 1wn6 s LEU 71 N 1.59 4.19 -0.09 3.21 1.43 -1.26 -1.29 118.68 126.46 1wn6 s LEU 71 Ca 0.54 0.29 0.17 0.00 -1.03 0.00 0.00 54.13 54.11 1wn6 s LEU 71 Cb -0.23 -2.05 -0.26 0.00 0.03 0.00 0.00 46.19 43.68 1wn6 s LEU 71 CO 0.24 0.27 0.26 0.35 0.23 0.00 0.00 176.35 177.71 1wn6 n THR 72 N 2.89 0.51 -3.65 5.49 -2.24 0.01 -4.01 114.28 113.28 1wn6 n THR 72 Ca -0.18 -0.56 -0.15 0.00 -2.27 0.00 0.00 64.05 60.89 1wn6 n THR 72 Cb 0.53 -0.19 -0.08 0.00 -2.10 0.00 0.00 70.33 68.49 1wn6 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wn6 s ILE 74 N -0.49 0.06 0.04 0.00 2.07 -0.59 -0.84 121.20 121.44 1wn6 s ILE 74 Ca -0.06 -0.46 -0.03 0.00 -1.41 0.00 0.00 60.65 58.69 1wn6 s ILE 74 Cb -0.03 -0.49 -0.02 0.00 0.13 0.00 0.00 42.46 42.05 1wn6 s ILE 74 CO 0.04 -0.25 0.04 0.54 -1.91 0.00 0.00 174.94 173.40 1wn6 s VAL 75 N -1.03 0.16 -0.02 4.00 0.11 -0.51 -1.75 120.40 121.36 1wn6 s VAL 75 Ca -0.11 -1.33 0.05 0.00 -2.93 0.00 0.00 61.98 57.66 1wn6 s VAL 75 Cb -0.05 -1.05 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 1wn6 s VAL 75 CO 0.02 -0.73 -0.16 0.00 -3.33 0.00 0.00 175.10 170.90 1wn6 s ALA 76 N -2.99 1.41 -0.08 1.54 0.00 -1.26 -1.79 121.76 118.59 1wn6 s ALA 76 Ca -0.02 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1wn6 s ALA 76 Cb 0.01 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.74 1wn6 s ALA 76 CO -0.06 0.31 -0.14 0.42 0.00 0.00 0.00 175.76 176.28 1wn6 s ILE 77 N -0.20 1.32 0.51 0.00 -1.09 0.45 -1.21 121.20 120.97 1wn6 s ILE 77 Ca 0.02 -0.57 -0.12 0.00 -2.23 0.00 0.00 60.65 57.75 1wn6 s ILE 77 Cb -0.08 -1.20 -0.06 0.00 -1.58 0.00 0.00 42.46 39.53 1wn6 s ILE 77 CO 0.00 0.40 0.92 -0.83 -1.23 0.00 0.00 174.94 174.20 1wn6 s GLY 78 N 0.74 1.88 1.15 6.18 0.00 -0.17 -1.56 107.32 115.54 1wn6 s GLY 78 Ca -0.13 -0.05 -0.19 0.00 0.00 0.00 0.00 44.72 44.35 1wn6 s GLY 78 CO 0.03 0.19 1.10 1.16 0.00 0.00 0.00 173.10 175.57 1wn6 n ASN 79 N -1.87 -1.70 -4.08 1.64 6.94 -0.17 -3.37 115.26 112.65 1wn6 n ASN 79 Ca 0.05 -1.20 -0.33 0.00 -0.02 0.00 0.00 54.58 53.08 1wn6 n ASN 79 Cb 0.54 -0.98 -0.01 0.00 -2.36 0.00 0.00 39.78 36.98 1wn6 n ASN 79 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1wn6 n GLU 80 N -4.58 -3.96 -3.13 -3.83 1.02 -1.26 -1.90 120.64 103.00 1wn6 n GLU 80 Ca 0.15 0.45 -0.23 0.00 -0.02 0.00 0.00 57.16 57.52 1wn6 n GLU 80 Cb 0.57 -5.15 0.02 0.00 -0.02 0.00 0.00 31.44 26.86 1wn6 n GLU 80 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wn6 n ASN 81 N -2.76 -5.34 0.15 1.62 3.02 -1.26 -4.89 115.26 105.81 1wn6 n ASN 81 Ca 0.01 -0.32 0.13 0.00 -0.03 0.00 0.00 54.58 54.37 1wn6 n ASN 81 Cb 0.53 -4.34 0.34 0.00 -0.61 0.00 0.00 39.78 35.70 1wn6 n ASN 81 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1wn6 h ARG 82 N -1.25 0.00 0.00 3.52 3.08 -1.38 -3.50 114.38 114.84 1wn6 h ARG 82 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1wn6 h ARG 82 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1wn6 h ARG 82 CO 0.56 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.87 1wn6 n GLY 83 N 1.13 -1.06 3.71 0.04 0.00 -1.25 -4.79 105.19 102.97 1wn6 n GLY 83 Ca 0.05 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 1wn6 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wn6 s ILE 84 N 0.00 2.30 -0.10 -0.61 1.01 -1.26 -1.00 121.20 121.55 1wn6 s ILE 84 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.77 1wn6 s ILE 84 Cb 0.00 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.39 1wn6 s ILE 84 CO 0.00 0.00 -0.16 -0.76 0.00 0.00 0.00 174.94 174.03 1wn6 s LEU 85 N 1.75 2.58 0.29 2.97 1.43 -0.35 -4.87 118.68 122.48 1wn6 s LEU 85 Ca 0.76 -0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 53.23 1wn6 s LEU 85 Cb -0.47 -1.55 -0.10 0.00 0.03 0.00 0.00 46.19 44.10 1wn6 s LEU 85 CO 0.33 0.22 1.20 -0.55 0.23 0.00 0.00 176.35 177.78 1wn6 s SER 86 N 0.02 7.03 0.34 2.29 0.15 -1.26 -4.28 113.70 117.99 1wn6 s SER 86 Ca -0.05 2.45 -0.29 0.00 0.70 0.00 0.00 55.95 58.76 1wn6 s SER 86 Cb -0.15 -2.63 -0.11 0.00 -1.71 0.00 0.00 66.02 61.42 1wn6 s SER 86 CO 0.05 -0.34 1.48 -2.16 1.20 0.00 0.00 173.24 173.47 1wn6 s PRO 87 N -1.47 4.16 1.02 5.44 0.04 -1.26 -4.98 135.00 137.95 1wn6 s PRO 87 Ca 0.47 2.50 -0.13 0.00 0.04 0.00 0.00 61.00 63.88 1wn6 s PRO 87 Cb -0.36 -3.01 0.20 0.00 0.04 0.00 0.00 34.50 31.38 1wn6 s PRO 87 CO 0.46 -0.50 1.10 0.00 0.04 0.00 0.00 177.00 178.10 1wn6 h GLY 89 N -1.98 0.84 0.99 0.00 0.00 -1.98 -1.89 103.07 99.06 1wn6 h GLY 89 Ca -0.54 -0.33 -0.10 0.00 0.00 0.00 0.00 47.33 46.36 1wn6 h GLY 89 CO 0.56 0.33 -0.14 -0.09 0.00 0.00 0.00 176.54 177.20 1wn6 h ARG 90 N 0.81 0.79 -0.95 4.80 2.43 -2.00 -2.48 114.38 117.77 1wn6 h ARG 90 Ca 0.21 -0.32 0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1wn6 h ARG 90 Cb -0.05 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 1wn6 h ARG 90 CO -0.04 0.94 0.63 0.00 -1.51 0.00 0.00 179.97 179.99 1wn6 h ARG 92 N 1.26 0.83 -0.29 0.00 3.08 -1.16 0.11 114.38 118.21 1wn6 h ARG 92 Ca 0.36 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 1wn6 h ARG 92 Cb -0.09 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 1wn6 h ARG 92 CO -0.09 0.70 0.10 0.37 -1.07 0.00 0.00 179.97 179.98 1wn6 h GLN 93 N 0.77 0.43 -0.59 0.04 5.75 -0.96 0.63 115.11 121.19 1wn6 h GLN 93 Ca 0.19 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 58.55 1wn6 h GLN 93 Cb 0.16 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 1wn6 h GLN 93 CO -0.02 0.47 0.13 0.28 -2.65 0.00 0.00 178.83 177.04 1wn6 h VAL 94 N 0.31 1.25 -0.71 2.39 2.07 -1.02 -1.62 116.25 118.92 1wn6 h VAL 94 Ca 0.09 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 1wn6 h VAL 94 Cb 0.21 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1wn6 h VAL 94 CO -0.01 0.34 0.30 -0.07 0.02 0.00 0.00 177.57 178.16 1wn6 h LEU 95 N 0.85 0.97 -0.39 2.57 3.38 -0.58 -0.61 115.31 121.50 1wn6 h LEU 95 Ca 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1wn6 h LEU 95 Cb 0.37 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1wn6 h LEU 95 CO 0.00 0.87 0.13 0.25 0.09 0.00 0.00 178.44 179.78 1wn6 h LEU 96 N 1.01 0.56 -0.64 1.67 5.85 -0.64 0.31 115.31 123.44 1wn6 h LEU 96 Ca 0.24 -0.20 -0.14 0.00 0.84 0.00 0.00 57.88 58.62 1wn6 h LEU 96 Cb 0.18 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1wn6 h LEU 96 CO -0.02 0.61 -0.67 0.44 -0.34 0.00 0.00 178.44 178.46 1wn6 h ASP 97 N 0.49 0.05 0.00 1.25 3.32 -1.10 -3.04 116.42 117.39 1wn6 h ASP 97 Ca 0.13 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 1wn6 h ASP 97 Cb 0.24 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1wn6 h ASP 97 CO -0.01 0.70 -1.98 0.18 -1.72 0.00 0.00 179.24 176.42 1wn6 n LEU 98 N -3.76 0.00 -3.11 1.55 4.77 -0.25 -4.74 117.00 111.46 1wn6 n LEU 98 Ca -0.01 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.77 1wn6 n LEU 98 Cb 0.66 0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.88 1wn6 n LEU 98 CO 0.43 0.16 -0.18 1.41 -1.33 0.00 0.00 177.39 177.88 1wn6 n HIS 99 N -2.33 -0.64 0.19 -1.77 8.25 0.11 -4.98 115.22 114.04 1wn6 n HIS 99 Ca -0.13 -3.37 0.18 0.00 -0.26 0.00 0.00 57.72 54.14 1wn6 n HIS 99 Cb 0.70 -0.05 0.81 0.00 1.12 0.00 0.00 29.99 32.58 1wn6 n HIS 99 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1wn6 h PRO 100 N 3.57 0.00 -0.16 -0.41 0.13 -1.49 -1.01 132.00 132.62 1wn6 h PRO 100 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1wn6 h PRO 100 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1wn6 h PRO 100 CO 0.44 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.62 1wn6 n GLY 101 N -1.39 0.52 3.83 1.56 0.00 -1.26 -4.76 105.19 103.70 1wn6 n GLY 101 Ca 0.03 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 1wn6 n GLY 101 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wn6 s ILE 102 N -1.80 4.27 0.13 -0.61 2.07 -0.38 -4.86 121.20 120.02 1wn6 s ILE 102 Ca 0.34 0.94 0.11 0.00 -1.41 0.00 0.00 60.65 60.63 1wn6 s ILE 102 Cb 0.19 -3.60 -0.04 0.00 0.13 0.00 0.00 42.46 39.15 1wn6 s ILE 102 CO 0.29 -0.77 -0.27 -0.54 -1.91 0.00 0.00 174.94 171.74 1wn6 s LYS 103 N -4.49 1.41 -0.04 3.50 1.02 -0.27 -2.47 119.74 118.40 1wn6 s LYS 103 Ca 0.59 -1.34 0.07 0.00 0.02 0.00 0.00 55.97 55.31 1wn6 s LYS 103 Cb -0.13 -1.89 -0.01 0.00 -0.52 0.00 0.00 37.83 35.28 1wn6 s LYS 103 CO 0.42 0.45 -0.25 0.00 -0.92 0.00 0.00 175.35 175.05 1wn6 s ALA 104 N -1.05 2.14 -0.18 5.17 0.00 0.07 -1.54 121.76 126.36 1wn6 s ALA 104 Ca 0.14 -1.06 -0.23 0.00 0.00 0.00 0.00 51.96 50.81 1wn6 s ALA 104 Cb -0.10 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1wn6 s ALA 104 CO 0.06 0.46 0.72 0.42 0.00 0.00 0.00 175.76 177.41 1wn6 s ILE 105 N -0.33 4.96 0.30 0.00 -1.09 -0.72 -0.78 121.20 123.54 1wn6 s ILE 105 Ca 0.02 1.38 0.03 0.00 -2.23 0.00 0.00 60.65 59.84 1wn6 s ILE 105 Cb -0.12 -4.03 -0.05 0.00 -1.58 0.00 0.00 42.46 36.69 1wn6 s ILE 105 CO 0.02 0.08 0.12 0.68 -1.23 0.00 0.00 174.94 174.60 1wn6 s VAL 106 N 2.00 0.57 -0.09 2.92 -7.23 0.28 -4.69 120.40 114.16 1wn6 s VAL 106 Ca 0.33 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.40 1wn6 s VAL 106 Cb -0.16 -2.59 -0.05 0.00 0.56 0.00 0.00 36.38 34.15 1wn6 s VAL 106 CO 0.11 0.00 0.24 -0.54 -0.31 0.00 0.00 175.10 174.60 1wn6 s LYS 107 N -3.91 3.73 0.00 4.82 1.02 -1.26 -0.27 119.74 123.87 1wn6 s LYS 107 Ca 0.35 0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.39 1wn6 s LYS 107 Cb 0.06 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 1wn6 s LYS 107 CO 0.15 0.66 0.00 -0.40 -0.92 0.00 0.00 175.35 174.84 1wn6 n ASP 108 N 2.22 0.00 -0.28 2.83 3.85 -0.64 -4.83 116.55 119.70 1wn6 n ASP 108 Ca -0.17 -0.89 0.04 0.00 -0.71 0.00 0.00 54.79 53.05 1wn6 n ASP 108 Cb 0.54 0.00 0.17 0.00 -1.35 0.00 0.00 41.12 40.48 1wn6 n ASP 108 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1wn6 h SER 109 N 0.00 0.54 -0.06 -1.12 4.64 -1.99 0.16 113.55 115.72 1wn6 h SER 109 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1wn6 h SER 109 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1wn6 h SER 109 CO 0.00 0.29 0.00 0.47 -0.87 0.00 0.00 176.83 176.72 1wn6 n ASP 110 N -4.83 0.33 -1.10 4.97 9.92 -1.26 -4.86 116.55 119.72 1wn6 n ASP 110 Ca 0.14 -1.95 -0.13 0.00 -0.53 0.00 0.00 54.79 52.32 1wn6 n ASP 110 Cb 0.32 -0.04 -0.04 0.00 -0.64 0.00 0.00 41.12 40.72 1wn6 n ASP 110 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wn6 n GLY 111 N 0.63 1.01 3.86 0.44 0.00 0.56 -5.00 105.19 106.69 1wn6 n GLY 111 Ca 0.03 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 1wn6 n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wn6 s GLN 112 N -3.46 3.67 0.28 1.61 -1.52 -1.26 -4.71 119.66 114.27 1wn6 s GLN 112 Ca 0.00 0.11 -0.30 0.00 -1.95 0.00 0.00 55.36 53.22 1wn6 s GLN 112 Cb 0.00 -3.17 -0.12 0.00 -0.22 0.00 0.00 33.01 29.49 1wn6 s GLN 112 CO 0.00 0.71 1.51 -2.30 -0.25 0.00 0.00 175.29 174.96 1wn6 n PRO 113 N 1.72 2.44 -3.72 2.91 -0.02 -1.26 -1.63 135.00 135.44 1wn6 n PRO 113 Ca -0.16 0.87 -0.12 0.00 -2.02 0.00 0.00 63.50 62.07 1wn6 n PRO 113 Cb 0.53 -2.59 -0.11 0.00 -0.02 0.00 0.00 33.50 31.32 1wn6 n PRO 113 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1wn6 s THR 114 N -0.13 -0.01 -0.17 3.45 -1.32 0.63 -4.73 115.64 113.35 1wn6 s THR 114 Ca 0.64 0.05 -0.21 0.00 -1.21 0.00 0.00 61.69 60.96 1wn6 s THR 114 Cb -0.55 -0.55 -0.03 0.00 -1.51 0.00 0.00 72.50 69.85 1wn6 s THR 114 CO 0.50 0.02 0.61 0.00 -2.21 0.00 0.00 174.62 173.54 1wn6 s ALA 115 N 0.73 3.51 0.04 11.08 0.00 -1.26 -0.56 121.76 135.30 1wn6 s ALA 115 Ca -0.04 -0.22 0.08 0.00 0.00 0.00 0.00 51.96 51.78 1wn6 s ALA 115 Cb -0.05 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 1wn6 s ALA 115 CO -0.05 -0.42 -0.23 0.08 0.00 0.00 0.00 175.76 175.14 1wn6 s VAL 116 N 1.58 1.84 0.36 0.00 1.01 0.04 -4.92 120.40 120.31 1wn6 s VAL 116 Ca 0.29 -1.24 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 1wn6 s VAL 116 Cb -0.16 -1.58 -0.10 0.00 0.00 0.00 0.00 36.38 34.54 1wn6 s VAL 116 CO 0.11 0.29 1.34 -0.83 0.00 0.00 0.00 175.10 176.01 1wn6 s GLY 117 N -1.14 2.97 0.32 4.51 0.00 -1.26 -0.75 107.32 111.97 1wn6 s GLY 117 Ca 0.09 1.32 0.05 0.00 0.00 0.00 0.00 44.72 46.18 1wn6 s GLY 117 CO 0.02 1.96 1.86 1.19 0.00 0.00 0.00 173.10 178.12 1wn6 h ILE 118 N 2.88 0.89 -0.33 0.90 -0.00 -1.78 -1.01 117.51 119.05 1wn6 h ILE 118 Ca -0.49 -0.29 -0.01 0.00 -0.00 0.00 0.00 64.86 64.06 1wn6 h ILE 118 Cb 1.23 -0.04 -0.02 0.00 -0.00 0.00 0.00 36.82 38.00 1wn6 h ILE 118 CO 0.64 0.15 0.15 0.03 -0.00 0.00 0.00 178.15 179.13 1wn6 h ARG 119 N 0.85 0.45 0.00 2.19 3.08 -1.87 -1.06 114.38 118.02 1wn6 h ARG 119 Ca 0.47 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.42 1wn6 h ARG 119 Cb 0.58 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1wn6 h ARG 119 CO -0.23 0.36 -0.22 0.93 -1.07 0.00 0.00 179.97 179.74 1wn6 h GLU 120 N 0.45 0.00 -0.00 0.04 3.07 -1.55 -2.19 114.58 114.40 1wn6 h GLU 120 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1wn6 h GLU 120 Cb 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 1wn6 h GLU 120 CO -0.02 0.22 -0.28 1.28 -1.40 0.00 0.00 179.01 178.82 1wn6 n LEU 121 N -3.54 0.34 -3.17 1.33 4.77 -0.43 -4.33 117.00 111.97 1wn6 n LEU 121 Ca -0.01 0.17 -0.23 0.00 -0.03 0.00 0.00 56.01 55.91 1wn6 n LEU 121 Cb 0.37 -0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1wn6 n LEU 121 CO 0.33 0.08 -0.27 -0.11 -1.33 0.00 0.00 177.39 176.09 1wn6 n LEU 122 N -1.42 0.03 -4.71 2.23 7.94 -0.83 -5.06 117.00 115.18 1wn6 n LEU 122 Ca 0.07 -4.63 -0.41 0.00 -1.11 0.00 0.00 56.01 49.94 1wn6 n LEU 122 Cb 0.33 0.65 0.01 0.00 0.53 0.00 0.00 43.42 44.95 1wn6 n LEU 122 CO 0.31 2.07 0.92 -2.65 -1.11 0.00 0.00 177.39 176.93 1wn6 n PRO 123 N 1.40 1.99 -4.14 1.96 -0.02 -1.16 -2.36 135.00 132.66 1wn6 n PRO 123 Ca 0.20 0.71 -0.33 0.00 -2.02 0.00 0.00 63.50 62.07 1wn6 n PRO 123 Cb 0.54 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 1wn6 n PRO 123 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1wn6 n SER 124 N 0.13 -2.20 -4.75 2.55 7.64 -1.26 -4.85 113.62 110.88 1wn6 n SER 124 Ca 0.06 -1.02 -0.38 0.00 1.01 0.00 0.00 58.87 58.55 1wn6 n SER 124 Cb 0.40 -2.80 0.03 0.00 -1.01 0.00 0.00 64.21 60.83 1wn6 n SER 124 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wn6 s GLY 125 N -3.68 2.84 0.16 0.23 0.00 -0.99 -4.96 107.32 100.93 1wn6 s GLY 125 Ca 0.48 1.20 -0.31 0.00 0.00 0.00 0.00 44.72 46.08 1wn6 s GLY 125 CO 0.92 1.68 1.45 -0.47 0.00 0.00 0.00 173.10 176.67 1wn6 s TYR 126 N -1.40 3.15 -0.47 1.90 5.04 -1.26 -4.98 117.35 119.33 1wn6 s TYR 126 Ca 0.71 0.89 -0.13 0.00 -2.44 0.00 0.00 57.07 56.10 1wn6 s TYR 126 Cb -0.36 -3.78 0.09 0.00 0.35 0.00 0.00 41.96 38.26 1wn6 s TYR 126 CO 0.42 -2.72 0.38 0.08 -1.34 0.00 0.00 175.55 172.37 1wn6 s VAL 127 N 0.81 4.84 -2.00 3.14 1.01 -1.26 -5.01 120.40 121.93 1wn6 s VAL 127 Ca 0.65 -1.34 0.21 0.00 0.00 0.00 0.00 61.98 61.50 1wn6 s VAL 127 Cb -0.40 -3.99 0.60 0.00 0.00 0.00 0.00 36.38 32.59 1wn6 s VAL 127 CO 0.34 -0.65 1.64 1.87 0.00 0.00 0.00 175.10 178.29