#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wn6 h GLN 5 N 0.00 0.59 -0.51 -1.46 -0.00 -2.05 -2.22 115.11 109.46 1wn6 h GLN 5 Ca 0.00 -0.21 -0.05 0.00 -0.00 0.00 0.00 58.65 58.39 1wn6 h GLN 5 Cb 0.00 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.48 27.42 1wn6 h GLN 5 CO 0.00 0.76 0.12 0.93 -0.00 0.00 0.00 178.83 180.64 1wn6 h GLU 6 N 0.37 0.78 0.73 0.06 5.08 -2.05 -1.38 114.58 118.18 1wn6 h GLU 6 Ca 0.08 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1wn6 h GLU 6 Cb 0.52 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.66 1wn6 h GLU 6 CO 0.03 0.71 -0.35 0.93 -1.00 0.00 0.00 179.01 179.33 1wn6 h GLU 7 N 0.76 -0.95 -0.98 2.33 5.08 -1.98 -2.57 114.58 116.27 1wn6 h GLU 7 Ca 0.17 0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.75 1wn6 h GLU 7 Cb 0.29 0.22 -0.09 0.00 0.50 0.00 0.00 28.75 29.67 1wn6 h GLU 7 CO -0.00 -0.61 0.61 1.03 -1.00 0.00 0.00 179.01 179.04 1wn6 h SER 8 N -1.11 0.80 -0.51 1.42 0.87 -1.31 -1.50 113.55 112.22 1wn6 h SER 8 Ca -0.10 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1wn6 h SER 8 Cb 0.78 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.61 1wn6 h SER 8 CO 0.17 0.37 0.29 0.74 -0.53 0.00 0.00 176.83 177.87 1wn6 h THR 9 N 0.83 1.04 -0.32 2.23 2.02 -1.07 0.14 112.91 117.77 1wn6 h THR 9 Ca 0.52 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 67.43 1wn6 h THR 9 Cb 0.72 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1wn6 h THR 9 CO -0.29 0.11 -0.07 -0.07 0.37 0.00 0.00 175.52 175.57 1wn6 h LEU 10 N 0.59 0.61 -0.41 2.58 3.38 -0.89 -1.16 115.31 120.01 1wn6 h LEU 10 Ca 0.21 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1wn6 h LEU 10 Cb 0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1wn6 h LEU 10 CO -0.10 0.83 0.25 0.40 0.09 0.00 0.00 178.44 179.91 1wn6 h ILE 11 N 0.39 1.06 -0.64 1.22 2.04 -1.08 -0.53 117.51 119.97 1wn6 h ILE 11 Ca 0.08 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1wn6 h ILE 11 Cb 0.56 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1wn6 h ILE 11 CO 0.03 0.09 0.30 -0.33 0.00 0.00 0.00 178.15 178.24 1wn6 h GLU 12 N 0.51 0.93 -0.19 2.37 5.08 -0.63 -0.78 114.58 121.87 1wn6 h GLU 12 Ca 0.16 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1wn6 h GLU 12 Cb -0.01 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1wn6 h GLU 12 CO -0.06 0.75 0.02 -0.09 -1.00 0.00 0.00 179.01 178.63 1wn6 h ARG 13 N 0.89 0.31 -0.60 2.33 9.65 -0.86 -1.35 114.38 124.75 1wn6 h ARG 13 Ca 0.22 -0.09 -0.06 0.00 -1.10 0.00 0.00 59.98 58.95 1wn6 h ARG 13 Cb 0.14 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.66 1wn6 h ARG 13 CO -0.03 0.49 0.13 0.00 2.80 0.00 0.00 179.97 183.36 1wn6 h ALA 14 N 0.82 1.10 -0.62 2.80 0.00 -1.01 -1.39 119.26 120.96 1wn6 h ALA 14 Ca 0.06 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1wn6 h ALA 14 Cb 0.33 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1wn6 h ALA 14 CO 0.00 0.60 0.11 1.15 0.00 0.00 0.00 179.25 181.11 1wn6 h THR 15 N 0.90 1.26 -0.68 0.00 2.02 -1.03 -2.06 112.91 113.32 1wn6 h THR 15 Ca 0.19 -0.99 -0.05 0.00 0.77 0.00 0.00 66.41 66.33 1wn6 h THR 15 Cb 0.35 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1wn6 h THR 15 CO 0.00 0.37 0.23 0.00 0.37 0.00 0.00 175.52 176.49 1wn6 h ALA 16 N 1.03 0.88 0.43 6.16 0.00 -0.92 -2.29 119.26 124.56 1wn6 h ALA 16 Ca 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1wn6 h ALA 16 Cb 0.42 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1wn6 h ALA 16 CO 0.01 0.55 -0.24 1.15 0.00 0.00 0.00 179.25 180.72 1wn6 h THR 17 N 0.98 0.51 0.00 0.00 2.02 -0.91 -1.92 112.91 113.59 1wn6 h THR 17 Ca 0.22 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.36 1wn6 h THR 17 Cb 0.28 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1wn6 h THR 17 CO -0.01 0.00 -0.22 -0.29 0.37 0.00 0.00 175.52 175.37 1wn6 h ILE 18 N -0.62 0.98 -0.14 3.11 6.09 -1.38 -1.51 117.51 124.03 1wn6 h ILE 18 Ca -0.05 -0.78 0.00 0.00 -1.37 0.00 0.00 64.86 62.65 1wn6 h ILE 18 Cb 0.50 1.44 0.00 0.00 0.47 0.00 0.00 36.82 39.23 1wn6 h ILE 18 CO 0.07 0.21 0.00 0.59 -3.07 0.00 0.00 178.15 175.95 1wn6 n ASN 19 N -4.03 1.00 -0.48 2.19 3.02 -0.86 -3.49 115.26 112.61 1wn6 n ASN 19 Ca -0.02 -1.75 0.04 0.00 -0.03 0.00 0.00 54.58 52.82 1wn6 n ASN 19 Cb 0.29 -0.09 0.11 0.00 -0.61 0.00 0.00 39.78 39.48 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 -0.06 2.69 -4.26 6.41 3.41 -0.57 -5.00 113.62 116.24 1wn6 n SER 20 Ca 0.12 -1.99 -0.17 0.00 -0.26 0.00 0.00 58.87 56.56 1wn6 n SER 20 Cb 0.20 -0.17 -0.11 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.00 1.37 0.56 -1.33 -4.36 -1.23 -5.07 121.20 110.14 1wn6 s ILE 21 Ca 0.17 -1.86 -0.21 0.00 -0.26 0.00 0.00 60.65 58.49 1wn6 s ILE 21 Cb 0.09 -1.67 -0.04 0.00 1.25 0.00 0.00 42.46 42.08 1wn6 s ILE 21 CO 0.12 -0.51 1.33 -2.65 0.24 0.00 0.00 174.94 173.47 1wn6 n PRO 22 N 0.25 1.58 -1.82 0.37 -0.02 -1.26 -4.90 135.00 129.20 1wn6 n PRO 22 Ca -0.13 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1wn6 n PRO 22 Cb 0.58 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 1wn6 n PRO 22 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wn6 s ILE 23 N -1.31 2.40 -0.03 4.25 1.01 -1.26 -4.98 121.20 121.29 1wn6 s ILE 23 Ca 0.73 0.23 -0.14 0.00 0.00 0.00 0.00 60.65 61.47 1wn6 s ILE 23 Cb -0.41 -3.15 0.02 0.00 0.01 0.00 0.00 42.46 38.93 1wn6 s ILE 23 CO 0.48 0.01 0.30 -0.55 0.00 0.00 0.00 174.94 175.18 1wn6 s SER 24 N 1.45 -0.20 0.11 3.58 0.15 -1.26 -5.02 113.70 112.50 1wn6 s SER 24 Ca 0.74 0.15 0.25 0.00 0.70 0.00 0.00 55.95 57.78 1wn6 s SER 24 Cb -0.46 0.36 0.49 0.00 -1.71 0.00 0.00 66.02 64.70 1wn6 s SER 24 CO 0.32 -0.39 1.44 -0.62 1.20 0.00 0.00 173.24 175.19 1wn6 n GLU 25 N 1.52 0.22 -0.04 5.44 1.02 -1.26 -3.71 120.64 123.84 1wn6 n GLU 25 Ca -0.20 0.09 -0.13 0.00 -0.02 0.00 0.00 57.16 56.90 1wn6 n GLU 25 Cb 0.56 -1.66 -0.14 0.00 -0.02 0.00 0.00 31.44 30.18 1wn6 n GLU 25 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wn6 n ASP 26 N -2.00 1.12 -3.74 1.62 10.43 -1.26 -4.66 116.55 118.06 1wn6 n ASP 26 Ca 0.04 0.25 -0.29 0.00 2.57 0.00 0.00 54.79 57.37 1wn6 n ASP 26 Cb 0.42 -0.10 -0.12 0.00 1.84 0.00 0.00 41.12 43.15 1wn6 n ASP 26 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1wn6 s TYR 27 N -2.56 2.47 -0.25 1.24 1.51 -1.25 -1.54 117.35 116.97 1wn6 s TYR 27 Ca -0.12 -2.79 0.02 0.00 -1.01 0.00 0.00 57.07 53.17 1wn6 s TYR 27 Cb 0.07 -2.08 0.03 0.00 -0.11 0.00 0.00 41.96 39.88 1wn6 s TYR 27 CO 0.79 -0.71 0.71 -1.13 -1.11 0.00 0.00 175.55 174.10 1wn6 n SER 28 N 2.84 1.46 -3.86 2.29 3.41 -1.24 -4.17 113.62 114.35 1wn6 n SER 28 Ca 0.16 -1.35 -0.12 0.00 -0.26 0.00 0.00 58.87 57.30 1wn6 n SER 28 Cb 0.37 -0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 64.17 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 -0.41 0.01 0.20 -3.33 1.01 -1.26 -0.88 120.40 115.74 1wn6 s VAL 29 Ca 0.03 -0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.06 1wn6 s VAL 29 Cb 0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.28 1wn6 s VAL 29 CO 0.03 -0.03 -0.17 0.00 0.00 0.00 0.00 175.10 174.93 1wn6 s ALA 30 N -0.07 2.75 0.03 5.51 0.00 -0.40 -1.82 121.76 127.77 1wn6 s ALA 30 Ca -0.01 -1.61 -0.01 0.00 0.00 0.00 0.00 51.96 50.33 1wn6 s ALA 30 Cb -0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 1wn6 s ALA 30 CO 0.00 0.41 -0.02 0.45 0.00 0.00 0.00 175.76 176.61 1wn6 s SER 31 N -2.90 0.34 -0.05 0.00 0.15 0.07 -0.33 113.70 110.99 1wn6 s SER 31 Ca 0.24 -0.72 -0.04 0.00 0.70 0.00 0.00 55.95 56.14 1wn6 s SER 31 Cb -0.08 0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.41 1wn6 s SER 31 CO 0.13 -0.45 0.13 0.00 1.20 0.00 0.00 173.24 174.25 1wn6 s ALA 32 N -2.64 -0.28 0.16 5.45 0.00 -0.88 -1.94 121.76 121.63 1wn6 s ALA 32 Ca -0.05 0.48 0.07 0.00 0.00 0.00 0.00 51.96 52.46 1wn6 s ALA 32 Cb -0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1wn6 s ALA 32 CO -0.05 -0.10 -0.15 0.00 0.00 0.00 0.00 175.76 175.46 1wn6 s ALA 33 N 0.52 1.77 -0.07 0.00 0.00 0.29 -1.91 121.76 122.36 1wn6 s ALA 33 Ca -0.04 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 50.48 1wn6 s ALA 33 Cb -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1wn6 s ALA 33 CO -0.02 0.11 -0.12 -1.17 0.00 0.00 0.00 175.76 174.55 1wn6 s LEU 34 N -2.81 2.83 0.29 0.00 1.98 -0.08 -1.22 118.68 119.67 1wn6 s LEU 34 Ca 0.15 -0.19 0.06 0.00 -2.89 0.00 0.00 54.13 51.26 1wn6 s LEU 34 Cb -0.03 -1.60 -0.02 0.00 0.66 0.00 0.00 46.19 45.20 1wn6 s LEU 34 CO 0.05 0.30 0.40 -0.94 -1.89 0.00 0.00 176.35 174.27 1wn6 s SER 35 N -0.46 6.06 0.47 3.68 1.04 -0.28 -0.56 113.70 123.65 1wn6 s SER 35 Ca 0.06 -0.10 0.17 0.00 0.48 0.00 0.00 55.95 56.56 1wn6 s SER 35 Cb -0.12 -1.48 1.17 0.00 0.10 0.00 0.00 66.02 65.69 1wn6 s SER 35 CO 0.02 -0.26 2.01 0.77 0.98 0.00 0.00 173.24 176.75 1wn6 h SER 36 N 1.05 0.21 0.87 7.02 4.64 -1.54 0.27 113.55 126.07 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 1.24 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1wn6 h SER 36 CO 0.57 0.13 0.00 -0.90 -0.87 0.00 0.00 176.83 175.75 1wn6 n ASP 37 N -4.45 0.03 0.00 4.97 5.68 -1.26 -4.91 116.55 116.61 1wn6 n ASP 37 Ca 0.08 0.50 0.00 0.00 -0.50 0.00 0.00 54.79 54.88 1wn6 n ASP 37 Cb 0.41 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 1wn6 n ASP 37 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wn6 n GLY 38 N 1.07 0.42 3.81 6.12 0.00 0.08 -5.09 105.19 111.60 1wn6 n GLY 38 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.75 3.53 -0.09 1.61 0.52 -1.26 -4.75 118.95 117.75 1wn6 s ARG 39 Ca 0.00 1.17 0.02 0.00 -0.52 0.00 0.00 55.73 56.40 1wn6 s ARG 39 Cb 0.00 -2.06 -0.02 0.00 0.52 0.00 0.00 34.95 33.39 1wn6 s ARG 39 CO 0.00 -0.64 -0.15 0.42 0.02 0.00 0.00 175.30 174.95 1wn6 s ILE 40 N -2.43 2.91 0.02 1.52 1.01 -1.26 -1.12 121.20 121.85 1wn6 s ILE 40 Ca 0.63 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 60.62 1wn6 s ILE 40 Cb -0.15 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 1wn6 s ILE 40 CO 0.33 0.55 -0.23 -0.36 0.00 0.00 0.00 174.94 175.23 1wn6 s PHE 41 N -0.07 2.07 0.43 3.97 0.40 -0.36 -4.96 117.98 119.46 1wn6 s PHE 41 Ca -0.03 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 55.94 1wn6 s PHE 41 Cb -0.14 -1.27 -0.04 0.00 0.51 0.00 0.00 43.02 42.08 1wn6 s PHE 41 CO 0.04 0.06 0.05 0.95 0.70 0.00 0.00 175.22 177.02 1wn6 s THR 42 N -0.71 1.14 0.00 0.64 -4.23 -1.26 -0.54 115.64 110.68 1wn6 s THR 42 Ca 0.09 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 1wn6 s THR 42 Cb -0.09 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.27 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 -1.00 0.67 3.22 3.99 0.00 -0.82 -4.46 105.19 106.80 1wn6 n GLY 43 Ca -0.10 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 1wn6 n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wn6 s VAL 44 N -2.00 1.40 1.02 1.61 1.01 -1.26 -0.75 120.40 121.44 1wn6 s VAL 44 Ca 0.00 -1.38 -0.12 0.00 0.00 0.00 0.00 61.98 60.48 1wn6 s VAL 44 Cb 0.00 -1.30 0.20 0.00 0.00 0.00 0.00 36.38 35.28 1wn6 s VAL 44 CO 0.00 -0.11 1.08 0.54 0.00 0.00 0.00 175.10 176.61 1wn6 s ASN 45 N -1.73 2.37 -0.33 3.32 4.22 -0.75 -4.54 114.94 117.50 1wn6 s ASN 45 Ca 0.02 1.31 -0.02 0.00 -2.14 0.00 0.00 52.86 52.04 1wn6 s ASN 45 Cb -0.10 -2.00 0.11 0.00 1.28 0.00 0.00 41.25 40.55 1wn6 s ASN 45 CO 0.03 -3.31 0.15 -0.69 -2.04 0.00 0.00 177.10 171.25 1wn6 s VAL 46 N -2.85 0.36 0.18 3.54 1.01 -0.35 -4.48 120.40 117.80 1wn6 s VAL 46 Ca 0.66 -1.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 1wn6 s VAL 46 Cb -0.20 -1.28 -0.08 0.00 0.00 0.00 0.00 36.38 34.82 1wn6 s VAL 46 CO 0.59 -0.80 1.29 -0.47 0.00 0.00 0.00 175.10 175.71 1wn6 s TYR 47 N 1.55 3.30 -0.28 5.22 6.14 -0.59 -3.10 117.35 129.60 1wn6 s TYR 47 Ca 0.12 1.24 -0.24 0.00 0.64 0.00 0.00 57.07 58.83 1wn6 s TYR 47 Cb -0.19 -3.56 0.11 0.00 0.42 0.00 0.00 41.96 38.74 1wn6 s TYR 47 CO -0.21 -1.75 0.95 -1.58 0.64 0.00 0.00 175.55 173.60 1wn6 s HIS 48 N 0.27 -0.57 0.58 4.97 2.46 -1.26 -4.80 115.29 116.93 1wn6 s HIS 48 Ca 0.57 1.36 0.42 0.00 0.47 0.00 0.00 55.06 57.88 1wn6 s HIS 48 Cb -0.35 0.35 2.25 0.00 -0.13 0.00 0.00 32.58 34.70 1wn6 s HIS 48 CO 0.36 -0.28 2.31 0.27 -2.47 0.00 0.00 174.74 174.94 1wn6 h PHE 49 N 4.64 0.00 -0.02 3.88 -0.00 -1.96 0.66 116.94 124.14 1wn6 h PHE 49 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.69 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 0.31 0.00 0.00 0.25 -0.00 0.00 0.00 178.31 178.87 1wn6 n THR 50 N -3.12 0.02 0.00 0.88 -2.24 -1.26 -4.85 114.28 103.71 1wn6 n THR 50 Ca -0.02 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1wn6 n THR 50 Cb 0.11 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 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 0.98 0.74 3.69 3.38 0.00 0.11 -5.07 105.19 109.02 1wn6 n GLY 51 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 0.47 3.78 -0.02 0.00 -0.50 -4.88 105.19 104.05 1wn6 n GLY 52 Ca 0.00 0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.03 4.15 0.78 1.61 0.04 -1.18 -4.62 135.00 133.75 1wn6 s PRO 53 Ca 0.59 2.50 -0.11 0.00 0.04 0.00 0.00 61.00 64.02 1wn6 s PRO 53 Cb -0.54 -2.98 0.06 0.00 0.04 0.00 0.00 34.50 31.08 1wn6 s PRO 53 CO 0.60 -0.47 1.08 0.00 0.04 0.00 0.00 177.00 178.25 1wn6 h ALA 55 N -1.10 1.72 -0.82 0.00 0.00 -1.84 -0.62 119.26 116.61 1wn6 h ALA 55 Ca -0.45 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1wn6 h ALA 55 Cb 1.24 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1wn6 h ALA 55 CO 0.55 -0.04 0.51 0.93 0.00 0.00 0.00 179.25 181.19 1wn6 h GLU 56 N 0.77 1.10 -0.07 0.00 3.07 -1.90 -0.83 114.58 116.72 1wn6 h GLU 56 Ca 0.54 -0.09 -0.13 0.00 -0.50 0.00 0.00 59.36 59.18 1wn6 h GLU 56 Cb 0.83 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 1wn6 h GLU 56 CO -0.31 0.76 -0.55 -0.07 -1.40 0.00 0.00 179.01 177.43 1wn6 h LEU 57 N 1.12 0.22 -0.65 1.33 3.38 -1.47 -0.94 115.31 118.30 1wn6 h LEU 57 Ca 0.30 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 1wn6 h LEU 57 Cb -0.07 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1wn6 h LEU 57 CO -0.06 0.73 -0.02 0.58 0.09 0.00 0.00 178.44 179.76 1wn6 h VAL 58 N 0.15 1.26 -0.58 1.22 2.07 -1.02 -2.33 116.25 117.02 1wn6 h VAL 58 Ca 0.00 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 1wn6 h VAL 58 Cb 1.02 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1wn6 h VAL 58 CO 0.08 0.42 0.30 0.58 0.02 0.00 0.00 177.57 178.97 1wn6 h VAL 59 N 0.94 1.20 -0.91 2.57 2.07 -0.75 -0.92 116.25 120.45 1wn6 h VAL 59 Ca 0.17 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1wn6 h VAL 59 Cb 0.57 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 1wn6 h VAL 59 CO 0.03 0.22 0.59 -0.07 0.02 0.00 0.00 177.57 178.36 1wn6 h LEU 60 N 0.78 0.96 -0.76 2.57 4.07 -0.82 -0.11 115.31 122.01 1wn6 h LEU 60 Ca 0.20 -0.00 -0.13 0.00 0.08 0.00 0.00 57.88 58.03 1wn6 h LEU 60 Cb 0.08 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1wn6 h LEU 60 CO -0.03 0.64 -0.61 1.23 -1.08 0.00 0.00 178.44 178.60 1wn6 h GLY 61 N 1.11 0.06 0.94 0.83 0.00 -1.07 -1.35 103.07 103.59 1wn6 h GLY 61 Ca 0.38 -0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.51 1wn6 h GLY 61 CO -0.14 0.07 -0.33 -0.84 0.00 0.00 0.00 176.54 175.30 1wn6 h THR 62 N 0.04 1.32 -0.56 4.70 2.02 -0.42 -1.68 112.91 118.33 1wn6 h THR 62 Ca -0.01 -1.52 -0.06 0.00 0.77 0.00 0.00 66.41 65.59 1wn6 h THR 62 Cb 1.08 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.20 1wn6 h THR 62 CO 0.08 0.48 0.11 0.00 0.37 0.00 0.00 175.52 176.56 1wn6 h ALA 63 N 0.65 0.75 -0.47 6.16 0.00 -0.97 -2.67 119.26 122.71 1wn6 h ALA 63 Ca 0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1wn6 h ALA 63 Cb 0.91 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1wn6 h ALA 63 CO 0.08 0.47 0.13 0.00 0.00 0.00 0.00 179.25 179.93 1wn6 h ALA 64 N 1.01 1.36 0.00 0.00 0.00 -1.18 -0.68 119.26 119.76 1wn6 h ALA 64 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1wn6 h ALA 64 Cb 0.38 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1wn6 h ALA 64 CO 0.01 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.72 1wn6 n ALA 65 N -2.47 1.56 -0.07 0.00 0.00 -0.64 -1.79 120.51 117.11 1wn6 n ALA 65 Ca 0.03 0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.63 1wn6 n ALA 65 Cb 0.19 -1.37 0.15 0.00 0.00 0.00 0.00 19.45 18.42 1wn6 n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wn6 n ALA 66 N -1.77 2.25 -3.79 0.00 0.00 -0.44 -4.97 120.51 111.79 1wn6 n ALA 66 Ca 0.02 -1.06 -0.28 0.00 0.00 0.00 0.00 53.44 52.12 1wn6 n ALA 66 Cb 0.20 -0.47 0.05 0.00 0.00 0.00 0.00 19.45 19.22 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 0.64 -1.29 0.26 0.00 0.00 -0.74 -4.86 120.51 114.52 1wn6 n ALA 67 Ca 0.12 0.29 0.10 0.00 0.00 0.00 0.00 53.44 53.94 1wn6 n ALA 67 Cb 0.42 -4.94 0.67 0.00 0.00 0.00 0.00 19.45 15.60 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 0.99 1.65 0.00 0.00 0.00 -1.42 -3.48 119.26 117.00 1wn6 h ALA 68 Ca -0.58 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1wn6 h ALA 68 Cb 1.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1wn6 h ALA 68 CO 0.63 0.11 0.00 0.41 0.00 0.00 0.00 179.25 180.39 1wn6 n GLY 69 N -1.15 0.37 3.75 0.00 0.00 -1.26 -4.60 105.19 102.30 1wn6 n GLY 69 Ca -0.03 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 1wn6 n GLY 69 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wn6 s ASN 70 N -4.00 7.28 -0.09 1.61 0.01 -1.26 -4.95 114.94 113.53 1wn6 s ASN 70 Ca 0.00 2.23 -0.04 0.00 -0.71 0.00 0.00 52.86 54.33 1wn6 s ASN 70 Cb 0.00 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 1wn6 s ASN 70 CO 0.00 -0.15 0.08 -0.76 -1.51 0.00 0.00 177.10 174.75 1wn6 s LEU 71 N -1.19 4.00 -0.09 0.60 1.43 -1.26 -1.58 118.68 120.58 1wn6 s LEU 71 Ca 0.46 0.30 0.14 0.00 -1.03 0.00 0.00 54.13 54.00 1wn6 s LEU 71 Cb -0.31 -1.98 -0.20 0.00 0.03 0.00 0.00 46.19 43.72 1wn6 s LEU 71 CO 0.39 0.38 0.17 0.35 0.23 0.00 0.00 176.35 177.88 1wn6 n THR 72 N 1.97 0.56 -3.64 5.49 -2.24 0.27 -4.03 114.28 112.67 1wn6 n THR 72 Ca -0.19 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 60.94 1wn6 n THR 72 Cb 0.54 -0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.42 0.03 0.05 0.00 2.07 -0.55 -0.91 121.20 120.47 1wn6 s ILE 74 Ca -0.11 -0.22 -0.02 0.00 -1.41 0.00 0.00 60.65 58.89 1wn6 s ILE 74 Cb -0.02 -0.70 -0.03 0.00 0.13 0.00 0.00 42.46 41.84 1wn6 s ILE 74 CO 0.06 -0.12 0.01 0.54 -1.91 0.00 0.00 174.94 173.52 1wn6 s VAL 75 N -0.77 0.18 -0.04 4.00 0.11 -0.80 -1.63 120.40 121.46 1wn6 s VAL 75 Ca -0.08 -1.50 0.04 0.00 -2.93 0.00 0.00 61.98 57.50 1wn6 s VAL 75 Cb -0.03 -1.21 -0.00 0.00 -1.53 0.00 0.00 36.38 33.60 1wn6 s VAL 75 CO 0.04 -0.83 -0.16 0.00 -3.33 0.00 0.00 175.10 170.82 1wn6 s ALA 76 N -3.34 1.41 -0.10 1.54 0.00 -1.26 -2.07 121.76 117.94 1wn6 s ALA 76 Ca 0.01 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.37 1wn6 s ALA 76 Cb 0.04 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.70 1wn6 s ALA 76 CO -0.08 0.26 -0.21 0.42 0.00 0.00 0.00 175.76 176.15 1wn6 s ILE 77 N 0.03 1.84 0.34 0.00 1.01 0.55 -1.28 121.20 123.70 1wn6 s ILE 77 Ca -0.03 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 59.68 1wn6 s ILE 77 Cb -0.11 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 1wn6 s ILE 77 CO 0.02 0.51 0.63 -0.83 0.00 0.00 0.00 174.94 175.27 1wn6 s GLY 78 N 0.54 1.82 0.54 6.18 0.00 0.37 -1.27 107.32 115.50 1wn6 s GLY 78 Ca -0.15 -0.48 -0.09 0.00 0.00 0.00 0.00 44.72 44.00 1wn6 s GLY 78 CO 0.05 -0.35 0.58 1.16 0.00 0.00 0.00 173.10 174.54 1wn6 n ASN 79 N -1.19 -0.80 -2.63 1.64 6.94 -0.06 -3.44 115.26 115.72 1wn6 n ASN 79 Ca -0.01 -1.01 -0.20 0.00 -0.02 0.00 0.00 54.58 53.35 1wn6 n ASN 79 Cb 0.54 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 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 -2.76 -2.73 -3.31 -3.83 -0.58 -1.26 -2.09 120.64 104.08 1wn6 n GLU 80 Ca 0.08 0.87 -0.23 0.00 -0.42 0.00 0.00 57.16 57.45 1wn6 n GLU 80 Cb 0.28 -5.58 0.01 0.00 -0.57 0.00 0.00 31.44 25.58 1wn6 n GLU 80 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1wn6 n ASN 81 N -2.12 -4.39 0.18 1.62 3.02 -1.26 -4.85 115.26 107.46 1wn6 n ASN 81 Ca -0.18 -0.39 0.06 0.00 -0.03 0.00 0.00 54.58 54.05 1wn6 n ASN 81 Cb 0.65 -3.59 0.20 0.00 -0.61 0.00 0.00 39.78 36.42 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 -1.14 0.00 0.00 3.52 3.08 -1.45 -3.50 114.38 114.90 1wn6 h ARG 82 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1wn6 h ARG 82 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1wn6 h ARG 82 CO 0.55 0.35 0.00 0.41 -1.07 0.00 0.00 179.97 180.21 1wn6 n GLY 83 N 0.82 -0.44 3.71 0.04 0.00 -1.25 -4.87 105.19 103.21 1wn6 n GLY 83 Ca 0.02 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 2.88 -0.12 -0.61 1.09 -1.26 -0.48 121.20 122.71 1wn6 s ILE 84 Ca 0.00 0.59 0.01 0.00 -1.10 0.00 0.00 60.65 60.15 1wn6 s ILE 84 Cb 0.00 -3.38 -0.01 0.00 -1.06 0.00 0.00 42.46 38.01 1wn6 s ILE 84 CO 0.00 0.04 -0.16 -0.76 -0.10 0.00 0.00 174.94 173.96 1wn6 s LEU 85 N 1.39 2.57 0.38 2.97 1.43 -0.40 -4.84 118.68 122.18 1wn6 s LEU 85 Ca 0.69 -0.37 -0.27 0.00 -1.03 0.00 0.00 54.13 53.15 1wn6 s LEU 85 Cb -0.41 -1.56 -0.09 0.00 0.03 0.00 0.00 46.19 44.16 1wn6 s LEU 85 CO 0.31 0.18 1.26 -0.44 0.23 0.00 0.00 176.35 177.89 1wn6 s SER 86 N 0.25 6.54 0.35 2.29 0.01 -1.26 -4.26 113.70 117.62 1wn6 s SER 86 Ca -0.11 2.58 -0.29 0.00 1.31 0.00 0.00 55.95 59.45 1wn6 s SER 86 Cb -0.16 -2.64 -0.11 0.00 0.21 0.00 0.00 66.02 63.33 1wn6 s SER 86 CO 0.06 -0.69 1.48 -2.16 0.41 0.00 0.00 173.24 172.34 1wn6 s PRO 87 N -2.08 4.15 0.99 12.44 0.04 -1.26 -4.98 135.00 144.29 1wn6 s PRO 87 Ca 0.54 2.52 -0.12 0.00 0.04 0.00 0.00 61.00 63.97 1wn6 s PRO 87 Cb -0.37 -3.00 0.18 0.00 0.04 0.00 0.00 34.50 31.36 1wn6 s PRO 87 CO 0.47 -0.50 1.09 0.00 0.04 0.00 0.00 177.00 178.11 1wn6 h GLY 89 N -1.85 1.34 1.01 0.00 0.00 -1.98 -1.55 103.07 100.04 1wn6 h GLY 89 Ca -0.54 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.24 1wn6 h GLY 89 CO 0.57 0.40 -0.04 -0.09 0.00 0.00 0.00 176.54 177.39 1wn6 h ARG 90 N 1.17 0.87 -0.78 4.80 2.43 -2.00 -2.37 114.38 118.50 1wn6 h ARG 90 Ca 0.37 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1wn6 h ARG 90 Cb -0.00 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 1wn6 h ARG 90 CO -0.11 0.93 0.50 0.00 -1.51 0.00 0.00 179.97 179.77 1wn6 h ARG 92 N 1.06 1.20 -0.06 0.00 3.08 -1.08 0.67 114.38 119.25 1wn6 h ARG 92 Ca 0.28 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1wn6 h ARG 92 Cb -0.09 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.72 1wn6 h ARG 92 CO -0.06 0.86 -0.00 0.37 -1.07 0.00 0.00 179.97 180.07 1wn6 h GLN 93 N 1.21 0.11 -0.70 0.04 5.75 -0.90 0.40 115.11 121.02 1wn6 h GLN 93 Ca 0.31 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.76 1wn6 h GLN 93 Cb -0.01 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 1wn6 h GLN 93 CO -0.05 0.39 0.39 0.28 -2.65 0.00 0.00 178.83 177.18 1wn6 h VAL 94 N -0.19 1.22 -0.39 2.39 2.07 -1.05 -0.95 116.25 119.34 1wn6 h VAL 94 Ca 0.02 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1wn6 h VAL 94 Cb 0.34 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1wn6 h VAL 94 CO 0.00 0.24 0.12 -0.07 0.02 0.00 0.00 177.57 177.88 1wn6 h LEU 95 N 0.97 0.57 -1.62 2.57 3.38 -0.77 0.17 115.31 120.57 1wn6 h LEU 95 Ca 0.25 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1wn6 h LEU 95 Cb 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1wn6 h LEU 95 CO -0.04 0.62 -0.07 0.25 0.09 0.00 0.00 178.44 179.29 1wn6 h LEU 96 N 0.49 0.14 0.09 1.67 5.85 -0.58 0.33 115.31 123.30 1wn6 h LEU 96 Ca 0.13 -0.02 -0.29 0.00 0.84 0.00 0.00 57.88 58.53 1wn6 h LEU 96 Cb 0.25 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1wn6 h LEU 96 CO -0.00 0.24 -1.51 0.44 -0.34 0.00 0.00 178.44 177.27 1wn6 h ASP 97 N 0.15 0.29 0.00 1.25 3.32 -0.80 -3.28 116.42 117.35 1wn6 h ASP 97 Ca 0.04 -0.41 -0.07 0.00 0.02 0.00 0.00 57.03 56.60 1wn6 h ASP 97 Cb 0.23 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1wn6 h ASP 97 CO 0.01 1.35 -2.00 0.18 -1.72 0.00 0.00 179.24 177.06 1wn6 n LEU 98 N -3.38 0.00 -3.12 1.55 4.77 0.01 -4.71 117.00 112.13 1wn6 n LEU 98 Ca -0.15 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.64 1wn6 n LEU 98 Cb 1.03 0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 42.19 1wn6 n LEU 98 CO 0.49 0.10 -0.18 1.41 -1.33 0.00 0.00 177.39 177.88 1wn6 n HIS 99 N -2.30 -0.58 0.01 -1.77 8.25 0.12 -4.96 115.22 113.98 1wn6 n HIS 99 Ca -0.09 -3.41 0.23 0.00 -0.26 0.00 0.00 57.72 54.18 1wn6 n HIS 99 Cb 0.65 -0.06 0.71 0.00 1.12 0.00 0.00 29.99 32.41 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 3.48 0.00 -0.20 -0.41 0.13 -1.60 -1.08 132.00 132.31 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 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 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 -1.55 0.88 3.80 1.56 0.00 -1.26 -4.75 105.19 103.87 1wn6 n GLY 101 Ca 0.11 -0.58 -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 -1.76 3.74 0.14 -0.61 2.07 -0.41 -4.89 121.20 119.48 1wn6 s ILE 102 Ca 0.34 0.70 0.09 0.00 -1.41 0.00 0.00 60.65 60.37 1wn6 s ILE 102 Cb 0.20 -3.28 -0.04 0.00 0.13 0.00 0.00 42.46 39.47 1wn6 s ILE 102 CO 0.30 -0.61 -0.21 -0.54 -1.91 0.00 0.00 174.94 171.97 1wn6 s LYS 103 N -4.51 1.25 -0.00 3.50 1.02 -0.39 -2.20 119.74 118.41 1wn6 s LYS 103 Ca 0.62 -1.31 0.08 0.00 0.02 0.00 0.00 55.97 55.38 1wn6 s LYS 103 Cb -0.16 -1.49 -0.02 0.00 -0.52 0.00 0.00 37.83 35.64 1wn6 s LYS 103 CO 0.46 0.33 -0.25 0.00 -0.92 0.00 0.00 175.35 174.97 1wn6 s ALA 104 N -1.49 2.09 -0.15 5.17 0.00 0.29 -1.48 121.76 126.18 1wn6 s ALA 104 Ca 0.12 -1.11 -0.21 0.00 0.00 0.00 0.00 51.96 50.76 1wn6 s ALA 104 Cb -0.08 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1wn6 s ALA 104 CO 0.06 0.51 0.60 0.42 0.00 0.00 0.00 175.76 177.35 1wn6 s ILE 105 N -0.64 5.07 0.18 0.00 -1.09 -0.64 -0.84 121.20 123.23 1wn6 s ILE 105 Ca 0.10 1.17 0.00 0.00 -2.23 0.00 0.00 60.65 59.70 1wn6 s ILE 105 Cb -0.10 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1wn6 s ILE 105 CO -0.00 0.19 0.05 0.68 -1.23 0.00 0.00 174.94 174.63 1wn6 s VAL 106 N 1.39 0.37 -0.10 2.92 -7.23 -0.40 -4.67 120.40 112.68 1wn6 s VAL 106 Ca 0.30 -1.96 -0.23 0.00 -1.81 0.00 0.00 61.98 58.27 1wn6 s VAL 106 Cb -0.16 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1wn6 s VAL 106 CO 0.12 -0.33 0.70 -0.54 -0.31 0.00 0.00 175.10 174.74 1wn6 s LYS 107 N -4.01 4.38 0.00 4.82 1.02 -1.26 -1.03 119.74 123.66 1wn6 s LYS 107 Ca 0.28 0.85 0.00 0.00 0.02 0.00 0.00 55.97 57.12 1wn6 s LYS 107 Cb 0.07 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 1wn6 s LYS 107 CO 0.06 -0.03 0.00 -0.40 -0.92 0.00 0.00 175.35 174.06 1wn6 n ASP 108 N 4.15 -0.09 -0.16 2.83 3.85 -0.00 -4.78 116.55 122.36 1wn6 n ASP 108 Ca -0.01 -0.63 -0.02 0.00 -0.71 0.00 0.00 54.79 53.42 1wn6 n ASP 108 Cb 0.51 0.00 0.07 0.00 -1.35 0.00 0.00 41.12 40.35 1wn6 n ASP 108 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1wn6 h SER 109 N -0.09 0.02 -0.02 -1.12 0.02 -1.97 0.19 113.55 110.58 1wn6 h SER 109 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1wn6 h SER 109 Cb 0.00 0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1wn6 h SER 109 CO 0.00 0.04 0.00 0.47 -1.14 0.00 0.00 176.83 176.20 1wn6 n ASP 110 N -5.10 0.12 -0.22 3.07 8.00 -1.26 -4.85 116.55 116.30 1wn6 n ASP 110 Ca 0.06 -2.00 -0.03 0.00 0.71 0.00 0.00 54.79 53.53 1wn6 n ASP 110 Cb 0.24 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.31 1wn6 n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wn6 n GLY 111 N 0.53 0.57 3.84 0.44 0.00 0.05 -5.01 105.19 105.61 1wn6 n GLY 111 Ca 0.01 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.46 3.83 0.46 1.61 -1.52 -1.26 -4.66 119.66 116.67 1wn6 s GLN 112 Ca 0.00 0.29 -0.25 0.00 -1.95 0.00 0.00 55.36 53.45 1wn6 s GLN 112 Cb 0.00 -3.22 -0.08 0.00 -0.22 0.00 0.00 33.01 29.49 1wn6 s GLN 112 CO 0.00 0.69 1.42 -0.35 -0.25 0.00 0.00 175.29 176.80 1wn6 n PRO 113 N 1.92 2.16 -3.61 2.91 -0.04 -1.26 -0.82 135.00 136.26 1wn6 n PRO 113 Ca -0.15 0.77 -0.15 0.00 -0.04 0.00 0.00 63.50 63.93 1wn6 n PRO 113 Cb 0.53 -2.61 -0.07 0.00 -0.04 0.00 0.00 33.50 31.31 1wn6 n PRO 113 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1wn6 s THR 114 N -1.20 0.03 -0.19 0.52 -1.32 -0.19 -4.85 115.64 108.42 1wn6 s THR 114 Ca 0.63 -0.22 -0.16 0.00 -1.21 0.00 0.00 61.69 60.72 1wn6 s THR 114 Cb -0.45 -0.88 -0.04 0.00 -1.51 0.00 0.00 72.50 69.63 1wn6 s THR 114 CO 0.56 -0.12 0.41 0.00 -2.21 0.00 0.00 174.62 173.27 1wn6 s ALA 115 N -1.57 3.55 -0.07 11.08 0.00 -1.26 -1.27 121.76 132.22 1wn6 s ALA 115 Ca -0.10 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.41 1wn6 s ALA 115 Cb -0.02 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.46 1wn6 s ALA 115 CO 0.05 -0.28 -0.18 0.08 0.00 0.00 0.00 175.76 175.44 1wn6 s VAL 116 N 1.26 1.53 0.52 0.00 1.01 -0.02 -4.93 120.40 119.78 1wn6 s VAL 116 Ca 0.20 -0.73 -0.22 0.00 0.00 0.00 0.00 61.98 61.23 1wn6 s VAL 116 Cb -0.15 -1.34 -0.06 0.00 0.00 0.00 0.00 36.38 34.83 1wn6 s VAL 116 CO 0.08 0.44 1.22 0.61 0.00 0.00 0.00 175.10 177.45 1wn6 n GLY 117 N 3.47 0.38 0.31 4.51 0.00 -1.26 -0.55 105.19 112.05 1wn6 n GLY 117 Ca -0.20 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 1wn6 n GLY 117 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1wn6 h ILE 118 N 1.35 1.08 -0.41 -0.61 6.09 -1.74 -2.20 117.51 121.07 1wn6 h ILE 118 Ca -0.49 -0.33 0.03 0.00 -1.37 0.00 0.00 64.86 62.69 1wn6 h ILE 118 Cb 1.32 0.02 -0.02 0.00 0.47 0.00 0.00 36.82 38.61 1wn6 h ILE 118 CO 0.56 0.18 0.27 0.03 -3.07 0.00 0.00 178.15 176.12 1wn6 h ARG 119 N 0.98 0.44 0.00 2.19 3.08 -1.86 -0.17 114.38 119.04 1wn6 h ARG 119 Ca 0.34 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.33 1wn6 h ARG 119 Cb 0.08 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1wn6 h ARG 119 CO -0.14 0.29 -0.16 0.93 -1.07 0.00 0.00 179.97 179.82 1wn6 h GLU 120 N 0.45 0.00 0.00 0.04 5.08 -1.76 -2.57 114.58 115.82 1wn6 h GLU 120 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1wn6 h GLU 120 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1wn6 h GLU 120 CO -0.04 0.16 -0.42 1.28 -1.00 0.00 0.00 179.01 178.99 1wn6 n LEU 121 N -3.29 0.48 -3.21 1.33 4.77 -0.13 -4.32 117.00 112.64 1wn6 n LEU 121 Ca 0.01 0.19 -0.24 0.00 -0.03 0.00 0.00 56.01 55.93 1wn6 n LEU 121 Cb 0.41 -0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1wn6 n LEU 121 CO 0.32 0.03 -0.26 0.18 -1.33 0.00 0.00 177.39 176.33 1wn6 n LEU 122 N -1.72 0.54 -4.75 2.23 4.77 -0.87 -5.07 117.00 112.13 1wn6 n LEU 122 Ca 0.05 -4.78 -0.37 0.00 -0.03 0.00 0.00 56.01 50.88 1wn6 n LEU 122 Cb 0.37 0.53 0.03 0.00 -2.33 0.00 0.00 43.42 42.02 1wn6 n LEU 122 CO 0.34 2.08 0.91 -2.16 -1.33 0.00 0.00 177.39 177.23 1wn6 s PRO 123 N -1.38 3.11 -1.55 3.23 0.04 -1.13 -2.53 135.00 134.80 1wn6 s PRO 123 Ca 0.36 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 63.31 1wn6 s PRO 123 Cb 0.18 -2.13 0.08 0.00 0.04 0.00 0.00 34.50 32.67 1wn6 s PRO 123 CO -0.10 -1.14 0.74 0.43 0.04 0.00 0.00 177.00 176.97 1wn6 n SER 124 N -1.22 -2.76 -4.77 6.66 7.64 -1.26 -4.86 113.62 113.05 1wn6 n SER 124 Ca 0.12 -0.93 -0.37 0.00 1.01 0.00 0.00 58.87 58.70 1wn6 n SER 124 Cb 0.47 -3.25 0.00 0.00 -1.01 0.00 0.00 64.21 60.42 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 -3.67 2.78 -0.00 0.23 0.00 -1.05 -4.99 107.32 100.62 1wn6 s GLY 125 Ca 0.47 0.99 -0.30 0.00 0.00 0.00 0.00 44.72 45.88 1wn6 s GLY 125 CO 0.88 1.45 1.16 -0.47 0.00 0.00 0.00 173.10 176.12 1wn6 s TYR 126 N -1.53 3.37 -0.37 1.90 6.14 -1.26 -5.00 117.35 120.59 1wn6 s TYR 126 Ca 0.67 1.34 -0.11 0.00 0.64 0.00 0.00 57.07 59.60 1wn6 s TYR 126 Cb -0.30 -3.36 0.02 0.00 0.42 0.00 0.00 41.96 38.74 1wn6 s TYR 126 CO 0.36 -1.05 0.21 0.08 0.64 0.00 0.00 175.55 175.79 1wn6 s VAL 127 N 1.58 4.64 0.36 3.14 1.01 -1.26 -4.99 120.40 124.88 1wn6 s VAL 127 Ca 0.56 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 61.46 1wn6 s VAL 127 Cb -0.26 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 1wn6 s VAL 127 CO 0.25 -0.23 1.14 0.86 0.00 0.00 0.00 175.10 177.13 1wn6 s TRP 128 N 1.57 3.22 -1.96 5.22 -0.00 -1.26 -5.21 118.94 120.52 1wn6 s TRP 128 Ca 0.02 1.59 0.16 0.00 -0.00 0.00 0.00 56.10 57.87 1wn6 s TRP 128 Cb -0.19 -3.35 0.12 0.00 -0.00 0.00 0.00 33.47 30.06 1wn6 s TRP 128 CO 0.07 -1.06 1.00 -1.91 -0.00 0.00 0.00 176.95 175.04