#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wn0 h LEU 6 N 0.00 0.73 -0.89 0.00 3.38 -1.99 -2.38 115.31 114.16 1wn0 h LEU 6 Ca 0.00 -0.74 0.07 0.00 0.09 0.00 0.00 57.88 57.31 1wn0 h LEU 6 Cb 0.00 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.46 1wn0 h LEU 6 CO 0.00 1.36 0.55 -0.09 0.09 0.00 0.00 178.44 180.36 1wn0 h ARG 7 N 0.16 0.95 0.01 1.13 2.43 -1.99 -1.45 114.38 115.63 1wn0 h ARG 7 Ca -0.09 -0.06 -0.20 0.00 -0.81 0.00 0.00 59.98 58.82 1wn0 h ARG 7 Cb 1.47 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 1wn0 h ARG 7 CO 0.16 0.63 -0.92 1.49 -1.51 0.00 0.00 179.97 179.82 1wn0 h GLU 8 N 0.98 0.09 -0.58 0.20 4.81 -1.98 -1.89 114.58 116.21 1wn0 h GLU 8 Ca 0.40 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 1wn0 h GLU 8 Cb 0.23 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1wn0 h GLU 8 CO -0.19 0.94 0.03 1.96 -0.73 0.00 0.00 179.01 181.01 1wn0 h GLN 9 N 0.04 1.00 -0.66 1.92 4.20 -1.13 -2.34 115.11 118.16 1wn0 h GLN 9 Ca -0.03 -0.31 -0.05 0.00 0.06 0.00 0.00 58.65 58.32 1wn0 h GLN 9 Cb 1.59 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 29.24 1wn0 h GLN 9 CO 0.13 0.98 0.20 1.25 -0.67 0.00 0.00 178.83 180.72 1wn0 h LEU 10 N 0.89 0.94 -0.76 1.46 5.85 -1.33 -1.18 115.31 121.19 1wn0 h LEU 10 Ca 0.17 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1wn0 h LEU 10 Cb 0.51 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1wn0 h LEU 10 CO 0.02 0.88 0.21 0.78 -0.34 0.00 0.00 178.44 180.00 1wn0 h ASN 11 N 0.97 1.08 0.24 1.25 -0.26 -1.18 -2.09 115.58 115.60 1wn0 h ASN 11 Ca 0.21 -0.21 -0.29 0.00 -0.56 0.00 0.00 56.30 55.45 1wn0 h ASN 11 Cb 0.29 -0.28 0.02 0.00 -1.06 0.00 0.00 38.32 37.29 1wn0 h ASN 11 CO -0.01 1.01 -1.23 0.00 -1.06 0.00 0.00 177.43 176.15 1wn0 h ALA 12 N 1.13 0.05 -0.61 -0.83 0.00 -1.15 -0.79 119.26 117.05 1wn0 h ALA 12 Ca 0.24 -0.79 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 1wn0 h ALA 12 Cb 0.33 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1wn0 h ALA 12 CO -0.00 0.75 0.05 1.25 0.00 0.00 0.00 179.25 181.29 1wn0 h LEU 13 N 0.23 1.01 0.25 0.00 6.46 -1.20 -1.50 115.31 120.56 1wn0 h LEU 13 Ca -0.17 -0.28 -0.01 0.00 -0.12 0.00 0.00 57.88 57.29 1wn0 h LEU 13 Cb 1.90 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 41.56 1wn0 h LEU 13 CO 0.23 1.04 -0.12 -0.07 -0.62 0.00 0.00 178.44 178.90 1wn0 h LEU 14 N 0.95 -0.28 -0.79 2.25 3.38 -1.28 -1.42 115.31 118.12 1wn0 h LEU 14 Ca 0.18 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.16 1wn0 h LEU 14 Cb 0.50 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.24 1wn0 h LEU 14 CO 0.02 -0.07 0.42 -1.28 0.09 0.00 0.00 178.44 177.62 1wn0 h SER 15 N -0.47 0.57 -0.21 -0.43 0.87 -1.11 -1.31 113.55 111.45 1wn0 h SER 15 Ca -0.03 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 1wn0 h SER 15 Cb 0.36 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1wn0 h SER 15 CO 0.06 0.31 -0.09 -1.28 -0.53 0.00 0.00 176.83 175.29 1wn0 h SER 16 N 0.69 0.44 -0.41 6.23 0.87 -1.19 -1.03 113.55 119.14 1wn0 h SER 16 Ca 0.39 -0.40 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 1wn0 h SER 16 Cb 0.42 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.20 1wn0 h SER 16 CO -0.28 0.74 0.03 0.24 -0.53 0.00 0.00 176.83 177.03 1wn0 h MET 17 N 0.13 0.14 -0.49 2.24 2.07 -0.88 0.04 114.93 118.18 1wn0 h MET 17 Ca 0.05 -0.01 -0.06 0.00 -2.07 0.00 0.00 59.70 57.61 1wn0 h MET 17 Cb 0.57 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.25 1wn0 h MET 17 CO 0.03 0.09 0.06 0.74 1.07 0.00 0.00 176.91 178.90 1wn0 h PHE 18 N 0.14 0.88 -0.41 -0.22 -1.00 -1.26 -2.84 116.94 112.23 1wn0 h PHE 18 Ca 0.20 -0.13 -0.12 0.00 2.81 0.00 0.00 57.97 60.74 1wn0 h PHE 18 Cb 0.28 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 1wn0 h PHE 18 CO -0.25 0.81 -0.22 0.00 -1.61 0.00 0.00 178.31 177.05 1wn0 h ALA 19 N 0.96 0.57 0.00 2.45 0.00 -0.79 -1.97 119.26 120.49 1wn0 h ALA 19 Ca 0.15 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1wn0 h ALA 19 Cb 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1wn0 h ALA 19 CO 0.01 0.55 0.00 0.43 0.00 0.00 0.00 179.25 180.24 1wn0 n SER 20 N -4.21 0.00 0.00 0.00 7.64 -0.04 -4.93 113.62 112.09 1wn0 n SER 20 Ca -0.01 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 59.04 1wn0 n SER 20 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1wn0 n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wn0 n GLY 21 N 0.39 0.25 0.30 0.23 0.00 -0.74 -4.92 105.19 100.71 1wn0 n GLY 21 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 1wn0 n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wn0 h LEU 22 N 0.00 0.90 -8.61 0.99 3.38 -1.76 -3.33 115.31 106.87 1wn0 h LEU 22 Ca 0.00 -0.05 -0.58 0.00 0.09 0.00 0.00 57.88 57.34 1wn0 h LEU 22 Cb 0.49 -0.23 -0.24 0.00 0.09 0.00 0.00 40.66 40.78 1wn0 h LEU 22 CO 0.00 0.68 -0.84 0.68 0.09 0.00 0.00 178.44 179.05 1wn0 s VAL 23 N -6.03 1.71 0.00 1.22 -7.23 -1.23 -1.65 120.40 107.18 1wn0 s VAL 23 Ca -0.13 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1wn0 s VAL 23 Cb 0.15 -1.51 0.00 0.00 0.56 0.00 0.00 36.38 35.58 1wn0 s VAL 23 CO 0.79 0.10 0.00 -0.90 -0.31 0.00 0.00 175.10 174.78 1wn0 n ASP 24 N 1.53 0.94 0.19 4.85 3.85 -0.38 -4.46 116.55 123.07 1wn0 n ASP 24 Ca -0.18 0.00 0.07 0.00 -0.71 0.00 0.00 54.79 53.96 1wn0 n ASP 24 Cb 0.53 0.00 0.34 0.00 -1.35 0.00 0.00 41.12 40.65 1wn0 n ASP 24 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1wn0 h GLU 25 N 0.00 0.00 -0.79 0.11 4.57 -1.98 -1.09 114.58 115.40 1wn0 h GLU 25 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1wn0 h GLU 25 Cb 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 1wn0 h GLU 25 CO 0.00 0.34 0.42 0.37 -1.18 0.00 0.00 179.01 178.96 1wn0 h GLN 26 N 0.00 1.11 -0.75 1.92 5.75 -1.91 0.16 115.11 121.39 1wn0 h GLN 26 Ca -0.00 -0.14 -0.04 0.00 -0.15 0.00 0.00 58.65 58.32 1wn0 h GLN 26 Cb 0.90 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 29.20 1wn0 h GLN 26 CO 0.04 0.83 0.30 0.35 -2.65 0.00 0.00 178.83 177.71 1wn0 h PHE 27 N 1.10 1.13 -0.67 3.99 3.04 -1.32 -1.62 116.94 122.59 1wn0 h PHE 27 Ca 0.28 -0.08 -0.07 0.00 3.98 0.00 0.00 57.97 62.07 1wn0 h PHE 27 Cb 0.06 -0.34 -0.03 0.00 2.56 0.00 0.00 35.95 38.20 1wn0 h PHE 27 CO 0.00 0.86 0.12 0.37 -2.02 0.00 0.00 178.31 177.65 1wn0 h GLN 28 N 1.07 1.08 -0.19 1.11 5.75 -1.25 -1.31 115.11 121.37 1wn0 h GLN 28 Ca 0.25 -0.28 -0.10 0.00 -0.15 0.00 0.00 58.65 58.37 1wn0 h GLN 28 Cb 0.21 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 1wn0 h GLN 28 CO -0.02 0.98 -0.32 1.96 -2.65 0.00 0.00 178.83 178.78 1wn0 h GLN 29 N 1.02 0.38 -0.62 1.69 4.20 -0.48 -1.05 115.11 120.25 1wn0 h GLN 29 Ca 0.21 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1wn0 h GLN 29 Cb 0.41 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 1wn0 h GLN 29 CO 0.01 0.66 0.33 -0.07 -0.67 0.00 0.00 178.83 179.09 1wn0 h LEU 30 N 0.33 0.77 -1.36 1.46 3.38 -0.81 0.20 115.31 119.28 1wn0 h LEU 30 Ca 0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1wn0 h LEU 30 Cb 0.72 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1wn0 h LEU 30 CO 0.06 0.65 0.13 1.56 0.09 0.00 0.00 178.44 180.93 1wn0 h GLN 31 N 0.84 0.56 -0.27 1.13 4.20 -0.92 0.03 115.11 120.69 1wn0 h GLN 31 Ca 0.22 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.73 1wn0 h GLN 31 Cb 0.05 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 1wn0 h GLN 31 CO -0.03 0.49 -0.28 0.52 -0.67 0.00 0.00 178.83 178.86 1wn0 h MET 32 N 0.56 0.66 -0.83 1.46 2.86 -0.47 -2.61 114.93 116.57 1wn0 h MET 32 Ca 0.14 -0.35 0.08 0.00 -2.06 0.00 0.00 59.70 57.50 1wn0 h MET 32 Cb 0.15 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.77 1wn0 h MET 32 CO -0.01 0.96 0.54 1.25 1.06 0.00 0.00 176.91 180.71 1wn0 h LEU 33 N 0.39 0.75 0.10 1.22 6.46 -0.32 -1.07 115.31 122.84 1wn0 h LEU 33 Ca 0.04 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.83 1wn0 h LEU 33 Cb 0.85 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.59 1wn0 h LEU 33 CO 0.07 0.46 -0.26 -0.61 -0.62 0.00 0.00 178.44 177.48 1wn0 h GLN 34 N 0.84 -0.44 -0.55 1.25 5.75 -0.62 -2.26 115.11 119.07 1wn0 h GLN 34 Ca 0.37 0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.83 1wn0 h GLN 34 Cb 0.34 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 1wn0 h GLN 34 CO -0.14 -0.29 0.09 0.93 -2.65 0.00 0.00 178.83 176.76 1wn0 h GLU 35 N -0.46 0.92 0.00 1.69 5.08 -1.22 -3.14 114.58 117.45 1wn0 h GLU 35 Ca 0.04 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1wn0 h GLU 35 Cb 0.49 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1wn0 h GLU 35 CO -0.16 0.88 0.00 -0.25 -1.00 0.00 0.00 179.01 178.48 1wn0 n ASP 36 N -4.35 0.55 -0.43 1.42 8.00 -0.44 -4.22 116.55 117.08 1wn0 n ASP 36 Ca 0.02 0.63 0.06 0.00 0.71 0.00 0.00 54.79 56.21 1wn0 n ASP 36 Cb 0.27 -0.75 0.03 0.00 -0.02 0.00 0.00 41.12 40.66 1wn0 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wn0 n GLY 37 N 0.12 -0.13 2.15 0.44 0.00 -0.86 -4.97 105.19 101.94 1wn0 n GLY 37 Ca 0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 1wn0 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wn0 n GLY 38 N 0.83 0.13 2.85 -0.02 0.00 -1.26 -4.91 105.19 102.82 1wn0 n GLY 38 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1wn0 n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wn0 s THR 39 N -2.22 1.56 0.50 2.61 2.01 -1.26 -5.12 115.64 113.72 1wn0 s THR 39 Ca 0.00 -1.97 -0.23 0.00 0.31 0.00 0.00 61.69 59.80 1wn0 s THR 39 Cb 0.00 -2.15 -0.07 0.00 0.01 0.00 0.00 72.50 70.29 1wn0 s THR 39 CO 0.00 -0.67 1.35 -2.65 -0.69 0.00 0.00 174.62 171.96 1wn0 n PRO 40 N 4.41 1.85 -0.65 4.92 -0.02 -1.26 -3.84 135.00 140.41 1wn0 n PRO 40 Ca 0.02 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1wn0 n PRO 40 Cb 0.41 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1wn0 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wn0 n GLY 41 N 0.74 0.76 0.17 -1.23 0.00 -1.26 -4.97 105.19 99.40 1wn0 n GLY 41 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 1wn0 n GLY 41 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wn0 h PHE 42 N 0.00 0.55 -0.28 1.61 3.57 -1.98 -0.78 116.94 119.63 1wn0 h PHE 42 Ca 0.00 -0.11 0.04 0.00 3.53 0.00 0.00 57.97 61.42 1wn0 h PHE 42 Cb 0.00 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 1wn0 h PHE 42 CO 0.00 0.69 0.07 0.28 -2.23 0.00 0.00 178.31 177.12 1wn0 h VAL 43 N 0.24 0.89 -0.79 1.41 2.07 -1.90 -1.02 116.25 117.15 1wn0 h VAL 43 Ca 0.07 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.57 1wn0 h VAL 43 Cb 0.51 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1wn0 h VAL 43 CO 0.02 0.03 0.50 0.00 0.02 0.00 0.00 177.57 178.14 1wn0 h ALA 44 N 1.19 1.05 -0.19 1.67 0.00 -1.95 0.30 119.26 121.34 1wn0 h ALA 44 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1wn0 h ALA 44 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1wn0 h ALA 44 CO -0.15 0.29 0.05 1.49 0.00 0.00 0.00 179.25 180.92 1wn0 h GLU 45 N 0.95 0.29 -0.40 0.00 4.57 -0.74 0.22 114.58 119.48 1wn0 h GLU 45 Ca 0.32 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.37 1wn0 h GLU 45 Cb 0.05 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1wn0 h GLU 45 CO -0.13 0.41 -0.02 0.28 -1.18 0.00 0.00 179.01 178.38 1wn0 h VAL 46 N 0.12 1.26 -0.52 0.32 2.07 -0.64 -0.86 116.25 117.99 1wn0 h VAL 46 Ca 0.06 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1wn0 h VAL 46 Cb 0.25 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1wn0 h VAL 46 CO -0.00 0.35 0.33 0.58 0.02 0.00 0.00 177.57 178.85 1wn0 h VAL 47 N 0.54 1.15 -0.64 2.57 2.07 -0.36 -2.36 116.25 119.22 1wn0 h VAL 47 Ca 0.11 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1wn0 h VAL 47 Cb 0.50 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1wn0 h VAL 47 CO 0.02 0.15 0.42 0.74 0.02 0.00 0.00 177.57 178.92 1wn0 h THR 48 N 0.71 1.17 -0.65 2.57 2.02 -0.40 -1.27 112.91 117.05 1wn0 h THR 48 Ca 0.19 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1wn0 h THR 48 Cb -0.03 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 1wn0 h THR 48 CO -0.04 0.16 0.32 -0.07 0.37 0.00 0.00 175.52 176.26 1wn0 h LEU 49 N 0.86 0.82 0.28 2.58 4.07 -1.08 0.14 115.31 122.98 1wn0 h LEU 49 Ca 0.23 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 1wn0 h LEU 49 Cb -0.09 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.44 1wn0 h LEU 49 CO -0.05 0.70 -0.13 0.15 -1.08 0.00 0.00 178.44 178.02 1wn0 h PHE 50 N 0.91 -0.35 -0.73 1.13 3.57 -1.19 0.12 116.94 120.41 1wn0 h PHE 50 Ca 0.23 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.85 1wn0 h PHE 50 Cb 0.09 0.11 -0.09 0.00 2.79 0.00 0.00 35.95 38.85 1wn0 h PHE 50 CO 0.01 -0.10 0.28 0.00 -2.23 0.00 0.00 178.31 176.27 1wn0 h ASP 52 N 0.43 0.22 -0.26 0.00 3.45 -0.52 -2.42 116.42 117.31 1wn0 h ASP 52 Ca 0.39 -0.23 -0.12 0.00 0.43 0.00 0.00 57.03 57.51 1wn0 h ASP 52 Cb 0.58 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.28 1wn0 h ASP 52 CO -0.39 0.39 -0.24 0.44 -1.57 0.00 0.00 179.24 177.87 1wn0 h ASP 53 N 0.04 0.76 -0.02 6.45 3.32 -0.54 -2.10 116.42 124.32 1wn0 h ASP 53 Ca 0.05 -0.28 -0.10 0.00 0.02 0.00 0.00 57.03 56.72 1wn0 h ASP 53 Cb 0.26 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.61 1wn0 h ASP 53 CO 0.00 0.98 -0.36 0.00 -1.72 0.00 0.00 179.24 178.13 1wn0 h ALA 54 N 1.08 0.08 -0.60 3.45 0.00 -1.02 -1.37 119.26 120.88 1wn0 h ALA 54 Ca 0.09 -0.48 0.12 0.00 0.00 0.00 0.00 54.91 54.63 1wn0 h ALA 54 Cb 0.75 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.43 1wn0 h ALA 54 CO 0.06 0.19 -0.23 0.22 0.00 0.00 0.00 179.25 179.49 1wn0 h ASP 55 N -0.28 -0.82 -0.60 0.00 3.58 -1.49 -1.23 116.42 115.57 1wn0 h ASP 55 Ca -0.04 0.20 -0.06 0.00 0.42 0.00 0.00 57.03 57.55 1wn0 h ASP 55 Cb 1.07 0.46 -0.02 0.00 1.72 0.00 0.00 39.33 42.56 1wn0 h ASP 55 CO 0.07 -0.25 0.14 -0.09 -2.88 0.00 0.00 179.24 176.23 1wn0 h ARG 56 N -0.08 0.97 -0.68 0.28 2.43 -1.22 -2.84 114.38 113.24 1wn0 h ARG 56 Ca 0.27 -0.24 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1wn0 h ARG 56 Cb 0.51 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1wn0 h ARG 56 CO -0.65 0.89 0.23 0.82 -1.51 0.00 0.00 179.97 179.75 1wn0 h ILE 57 N 0.88 1.25 -0.32 1.20 2.04 -1.11 -0.83 117.51 120.62 1wn0 h ILE 57 Ca 0.19 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1wn0 h ILE 57 Cb 0.36 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1wn0 h ILE 57 CO 0.00 0.33 0.07 0.40 0.00 0.00 0.00 178.15 178.95 1wn0 h ILE 58 N 0.99 1.22 -0.36 -0.67 2.04 -1.26 0.05 117.51 119.52 1wn0 h ILE 58 Ca 0.22 -0.76 0.02 0.00 1.00 0.00 0.00 64.86 65.35 1wn0 h ILE 58 Cb 0.27 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1wn0 h ILE 58 CO -0.01 0.25 0.18 0.28 0.00 0.00 0.00 178.15 178.86 1wn0 h SER 59 N 0.36 0.28 -0.78 1.72 0.02 -1.35 -0.56 113.55 113.24 1wn0 h SER 59 Ca 0.10 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1wn0 h SER 59 Cb 0.31 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 1wn0 h SER 59 CO 0.00 0.20 0.48 -0.33 -1.14 0.00 0.00 176.83 176.05 1wn0 h GLU 60 N 0.38 1.05 -0.58 3.45 5.08 -0.86 -2.73 114.58 120.37 1wn0 h GLU 60 Ca 0.15 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1wn0 h GLU 60 Cb 0.05 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1wn0 h GLU 60 CO -0.10 0.72 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.55 1wn0 h LEU 61 N 1.07 1.01 -0.92 1.33 3.38 -0.56 -1.82 115.31 118.80 1wn0 h LEU 61 Ca 0.28 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1wn0 h LEU 61 Cb -0.07 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.37 1wn0 h LEU 61 CO -0.06 1.08 0.43 0.00 0.09 0.00 0.00 178.44 179.99 1wn0 h ALA 62 N 0.97 1.16 -0.43 1.53 0.00 -0.88 -0.69 119.26 120.92 1wn0 h ALA 62 Ca 0.16 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1wn0 h ALA 62 Cb 0.57 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1wn0 h ALA 62 CO 0.03 0.65 -0.10 0.00 0.00 0.00 0.00 179.25 179.84 1wn0 h ALA 63 N 1.27 0.59 -0.64 0.00 0.00 -1.29 -2.81 119.26 116.37 1wn0 h ALA 63 Ca 0.30 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1wn0 h ALA 63 Cb 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1wn0 h ALA 63 CO -0.04 0.46 0.40 -0.07 0.00 0.00 0.00 179.25 180.00 1wn0 h LEU 64 N 0.64 0.65 -0.37 0.00 4.07 -1.10 -2.60 115.31 116.60 1wn0 h LEU 64 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1wn0 h LEU 64 Cb 0.63 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1wn0 h LEU 64 CO 0.04 0.45 0.00 0.18 -1.08 0.00 0.00 178.44 178.03 1wn0 n LEU 65 N -4.71 0.57 -0.57 1.67 4.77 -0.29 -2.57 117.00 115.87 1wn0 n LEU 65 Ca 0.06 -0.21 0.05 0.00 -0.03 0.00 0.00 56.01 55.88 1wn0 n LEU 65 Cb 0.08 -0.02 0.12 0.00 -2.33 0.00 0.00 43.42 41.27 1wn0 n LEU 65 CO 0.33 0.11 0.58 -0.67 -1.33 0.00 0.00 177.39 176.40 1wn0 n ASP 66 N -0.48 2.67 -4.89 -1.43 2.03 -0.98 -5.01 116.55 108.45 1wn0 n ASP 66 Ca 0.18 -1.88 -0.29 0.00 0.52 0.00 0.00 54.79 53.33 1wn0 n ASP 66 Cb 0.18 -0.17 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 1wn0 n ASP 66 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1wn0 s GLN 67 N -0.98 3.30 0.21 -0.67 -1.52 -1.06 -4.98 119.66 113.95 1wn0 s GLN 67 Ca 0.20 0.35 -0.10 0.00 -1.95 0.00 0.00 55.36 53.86 1wn0 s GLN 67 Cb 0.11 -2.21 0.17 0.00 -0.22 0.00 0.00 33.01 30.86 1wn0 s GLN 67 CO 0.15 -0.56 1.88 -1.35 -0.25 0.00 0.00 175.29 175.15 1wn0 h PRO 68 N -0.17 0.97 -4.91 2.91 0.11 -1.95 -3.38 132.00 125.59 1wn0 h PRO 68 Ca -0.45 -0.06 -0.64 0.00 0.11 0.00 0.00 66.00 64.96 1wn0 h PRO 68 Cb 1.22 -0.22 -0.35 0.00 0.11 0.00 0.00 31.00 31.76 1wn0 h PRO 68 CO 0.62 0.64 -0.85 0.42 -0.21 0.00 0.00 178.00 178.62 1wn0 s ILE 69 N -6.13 1.85 0.03 4.15 1.01 -1.26 -5.11 121.20 115.74 1wn0 s ILE 69 Ca -0.13 -0.81 -0.27 0.00 0.00 0.00 0.00 60.65 59.44 1wn0 s ILE 69 Cb 0.15 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.88 1wn0 s ILE 69 CO 0.78 0.51 0.84 -0.69 0.00 0.00 0.00 174.94 176.37 1wn0 s VAL 70 N 1.32 4.76 -1.07 2.92 1.01 -1.26 -4.99 120.40 123.09 1wn0 s VAL 70 Ca 0.04 1.78 -0.16 0.00 0.00 0.00 0.00 61.98 63.64 1wn0 s VAL 70 Cb -0.13 -4.19 0.16 0.00 0.00 0.00 0.00 36.38 32.22 1wn0 s VAL 70 CO -0.11 0.30 1.26 -0.62 0.00 0.00 0.00 175.10 175.92 1wn0 s ASP 71 N 0.30 6.89 0.51 3.32 -1.08 -1.26 -4.90 116.67 120.45 1wn0 s ASP 71 Ca 0.43 -2.62 0.16 0.00 -0.52 0.00 0.00 52.55 49.99 1wn0 s ASP 71 Cb -0.21 -2.38 1.25 0.00 -1.46 0.00 0.00 42.92 40.12 1wn0 s ASP 71 CO 0.25 -0.84 2.13 -0.26 0.52 0.00 0.00 175.17 176.97 1wn0 h PHE 72 N 7.85 0.04 -0.30 -5.34 0.04 -1.94 -1.78 116.94 115.51 1wn0 h PHE 72 Ca 0.23 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.92 1wn0 h PHE 72 Cb 0.94 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.07 1wn0 h PHE 72 CO 1.11 0.02 -0.15 -0.44 -0.60 0.00 0.00 178.31 178.25 1wn0 h ASP 73 N 0.04 0.65 -0.02 2.17 3.32 -1.91 0.46 116.42 121.13 1wn0 h ASP 73 Ca 0.03 -0.41 -0.11 0.00 0.02 0.00 0.00 57.03 56.55 1wn0 h ASP 73 Cb 0.06 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1wn0 h ASP 73 CO -0.00 0.92 -0.32 0.50 -1.72 0.00 0.00 179.24 178.62 1wn0 h LYS 74 N 0.38 0.49 -0.62 3.56 3.64 -1.90 -1.99 116.57 120.13 1wn0 h LYS 74 Ca 0.07 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1wn0 h LYS 74 Cb 0.68 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 1wn0 h LYS 74 CO 0.05 0.75 0.30 0.28 -2.27 0.00 0.00 179.45 178.56 1wn0 h VAL 75 N 0.42 1.21 -0.69 2.00 2.07 -1.09 -2.31 116.25 117.86 1wn0 h VAL 75 Ca 0.05 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 67.03 1wn0 h VAL 75 Cb 0.77 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1wn0 h VAL 75 CO 0.06 0.24 0.41 -0.78 0.02 0.00 0.00 177.57 177.53 1wn0 h ASP 76 N 0.85 0.64 -0.21 0.57 3.58 -0.77 -0.82 116.42 120.27 1wn0 h ASP 76 Ca 0.21 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.60 1wn0 h ASP 76 Cb 0.11 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 1wn0 h ASP 76 CO -0.03 0.43 -0.12 0.00 -2.88 0.00 0.00 179.24 176.64 1wn0 h ALA 77 N 1.33 1.14 -0.15 -0.78 0.00 -1.18 -0.84 119.26 118.78 1wn0 h ALA 77 Ca 0.30 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1wn0 h ALA 77 Cb 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1wn0 h ALA 77 CO -0.15 0.54 -0.70 1.88 0.00 0.00 0.00 179.25 180.82 1wn0 h TYR 78 N 0.55 0.83 -0.45 0.00 0.05 -0.84 -1.49 116.97 115.62 1wn0 h TYR 78 Ca 0.10 -0.35 -0.07 0.00 0.05 0.00 0.00 58.73 58.46 1wn0 h TYR 78 Cb 0.54 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 1wn0 h TYR 78 CO 0.02 1.14 0.02 0.28 -1.05 0.00 0.00 178.16 178.57 1wn0 h VAL 79 N 0.44 1.26 -0.63 -2.88 2.07 -0.80 0.24 116.25 115.95 1wn0 h VAL 79 Ca -0.03 -1.01 0.05 0.00 0.82 0.00 0.00 66.70 66.53 1wn0 h VAL 79 Cb 1.29 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 1wn0 h VAL 79 CO 0.13 0.35 0.35 -0.74 0.02 0.00 0.00 177.57 177.68 1wn0 h HIS 80 N 0.64 0.64 -0.56 1.57 -0.00 -1.01 -1.18 115.15 115.25 1wn0 h HIS 80 Ca 0.13 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.50 1wn0 h HIS 80 Cb 0.47 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.66 1wn0 h HIS 80 CO 0.04 0.31 0.27 1.96 -0.00 0.00 0.00 177.93 180.51 1wn0 h GLN 81 N 0.65 0.81 0.00 5.26 4.20 -0.70 -1.92 115.11 123.41 1wn0 h GLN 81 Ca 0.28 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 1wn0 h GLN 81 Cb 0.17 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1wn0 h GLN 81 CO -0.17 0.66 -0.05 1.25 -0.67 0.00 0.00 178.83 179.85 1wn0 h LEU 82 N 0.76 0.00 -0.15 1.46 5.85 0.04 -0.99 115.31 122.28 1wn0 h LEU 82 Ca 0.19 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.74 1wn0 h LEU 82 Cb 0.12 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.15 1wn0 h LEU 82 CO -0.02 0.05 -0.58 0.50 -0.34 0.00 0.00 178.44 178.05 1wn0 h LYS 83 N 0.00 0.65 -0.06 1.25 3.64 -0.49 -0.38 116.57 121.18 1wn0 h LYS 83 Ca -0.00 -0.50 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 1wn0 h LYS 83 Cb 0.12 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1wn0 h LYS 83 CO 0.01 1.12 -0.01 0.78 -2.27 0.00 0.00 179.45 179.08 1wn0 h GLY 84 N 0.32 0.11 0.14 5.01 0.00 -1.04 -0.65 103.07 106.96 1wn0 h GLY 84 Ca -0.03 -0.09 0.09 0.00 0.00 0.00 0.00 47.33 47.31 1wn0 h GLY 84 CO 0.12 0.08 -0.05 0.23 0.00 0.00 0.00 176.54 176.92 1wn0 h SER 85 N -0.21 -0.30 -0.01 0.19 0.87 -1.14 -1.16 113.55 111.79 1wn0 h SER 85 Ca 0.02 0.13 -0.14 0.00 -1.23 0.00 0.00 61.79 60.56 1wn0 h SER 85 Cb 0.36 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 1wn0 h SER 85 CO 0.00 -0.11 -0.45 0.77 -0.53 0.00 0.00 176.83 176.52 1wn0 h SER 86 N 0.06 0.59 -0.64 6.23 4.64 -0.85 -2.82 113.55 120.76 1wn0 h SER 86 Ca 0.24 -0.28 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1wn0 h SER 86 Cb 0.36 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1wn0 h SER 86 CO -0.44 0.96 0.19 0.00 -0.87 0.00 0.00 176.83 176.68 1wn0 h ALA 87 N 1.06 1.09 -0.16 5.18 0.00 -0.94 0.13 119.26 125.62 1wn0 h ALA 87 Ca 0.03 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1wn0 h ALA 87 Cb 0.96 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1wn0 h ALA 87 CO 0.09 0.62 0.13 0.66 0.00 0.00 0.00 179.25 180.74 1wn0 h SER 88 N 0.99 0.00 -0.17 0.00 4.64 -0.94 -0.99 113.55 117.07 1wn0 h SER 88 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1wn0 h SER 88 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1wn0 h SER 88 CO -0.01 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.28 1wn0 n VAL 89 N -4.32 0.87 -2.97 0.95 0.24 -1.16 -4.95 118.33 106.98 1wn0 n VAL 89 Ca 0.01 -0.93 -0.17 0.00 -2.04 0.00 0.00 64.34 61.20 1wn0 n VAL 89 Cb 0.26 0.58 0.04 0.00 -1.47 0.00 0.00 33.84 33.25 1wn0 n VAL 89 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wn0 n GLY 90 N 0.11 -0.22 3.56 7.63 0.00 -0.38 -3.95 105.19 111.94 1wn0 n GLY 90 Ca 0.06 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1wn0 n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wn0 s ALA 91 N -3.09 2.62 0.10 4.61 0.00 0.37 -1.25 121.76 125.12 1wn0 s ALA 91 Ca 0.29 -2.23 -0.15 0.00 0.00 0.00 0.00 51.96 49.87 1wn0 s ALA 91 Cb -0.13 -4.55 -0.08 0.00 0.00 0.00 0.00 23.12 18.37 1wn0 s ALA 91 CO 0.36 -3.76 1.45 0.37 0.00 0.00 0.00 175.76 174.18 1wn0 h GLN 92 N 9.78 0.66 -0.59 0.00 4.15 -1.50 -2.51 115.11 125.10 1wn0 h GLN 92 Ca 0.21 -0.31 -0.07 0.00 0.77 0.00 0.00 58.65 59.25 1wn0 h GLN 92 Cb 1.00 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.65 1wn0 h GLN 92 CO 1.40 0.91 0.08 0.87 -1.93 0.00 0.00 178.83 180.16 1wn0 h LYS 93 N 0.41 0.95 -0.54 1.69 1.57 -1.74 -2.52 116.57 116.39 1wn0 h LYS 93 Ca 0.06 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 1wn0 h LYS 93 Cb 0.74 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1wn0 h LYS 93 CO 0.05 0.89 0.14 0.28 -0.57 0.00 0.00 179.45 180.24 1wn0 h VAL 94 N 0.90 1.24 -0.44 0.50 2.07 -1.88 -2.13 116.25 116.51 1wn0 h VAL 94 Ca 0.18 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.73 1wn0 h VAL 94 Cb 0.42 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1wn0 h VAL 94 CO 0.01 0.32 -0.12 0.50 0.02 0.00 0.00 177.57 178.30 1wn0 h LYS 95 N 0.77 0.86 -0.20 1.57 3.11 -1.28 -1.92 116.57 119.48 1wn0 h LYS 95 Ca 0.17 -0.34 -0.01 0.00 -2.81 0.00 0.00 60.65 57.67 1wn0 h LYS 95 Cb 0.34 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.51 1wn0 h LYS 95 CO 0.00 0.97 0.10 0.74 -2.81 0.00 0.00 179.45 178.45 1wn0 h PHE 96 N 0.69 0.29 -0.19 1.91 0.05 -1.41 -2.37 116.94 115.91 1wn0 h PHE 96 Ca 0.11 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.89 1wn0 h PHE 96 Cb 0.66 -0.09 -0.01 0.00 2.00 0.00 0.00 35.95 38.51 1wn0 h PHE 96 CO 0.05 0.30 0.12 1.15 -0.18 0.00 0.00 178.31 179.75 1wn0 h THR 97 N 0.20 1.04 0.00 -1.55 2.02 -1.26 -0.89 112.91 112.48 1wn0 h THR 97 Ca 0.07 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 1wn0 h THR 97 Cb 0.12 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1wn0 h THR 97 CO -0.01 0.04 -0.23 0.00 0.37 0.00 0.00 175.52 175.69 1wn0 h MET 99 N 0.00 0.69 -0.41 0.00 2.07 -1.08 -0.16 114.93 116.04 1wn0 h MET 99 Ca -0.00 -0.36 0.02 0.00 -2.07 0.00 0.00 59.70 57.29 1wn0 h MET 99 Cb 0.42 0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 30.14 1wn0 h MET 99 CO 0.03 0.97 0.23 1.96 1.07 0.00 0.00 176.91 181.17 1wn0 h GLN 100 N 0.43 0.46 -0.49 1.72 4.20 -1.30 -2.76 115.11 117.36 1wn0 h GLN 100 Ca 0.05 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.80 1wn0 h GLN 100 Cb 0.83 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.45 1wn0 h GLN 100 CO 0.07 0.30 0.14 0.35 -0.67 0.00 0.00 178.83 179.02 1wn0 h PHE 101 N 0.47 0.24 -0.87 2.96 -0.00 -1.07 0.22 116.94 118.89 1wn0 h PHE 101 Ca 0.16 0.03 0.05 0.00 -0.00 0.00 0.00 57.97 58.21 1wn0 h PHE 101 Cb 0.02 -0.03 -0.06 0.00 -0.00 0.00 0.00 35.95 35.88 1wn0 h PHE 101 CO -0.08 0.05 0.55 -0.09 -0.00 0.00 0.00 178.31 178.75 1wn0 h ARG 102 N 0.29 1.01 -0.26 1.11 2.43 -0.86 -1.21 114.38 116.90 1wn0 h ARG 102 Ca 0.24 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 59.17 1wn0 h ARG 102 Cb 0.29 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1wn0 h ARG 102 CO -0.28 0.67 -0.56 1.96 -1.51 0.00 0.00 179.97 180.25 1wn0 h GLN 103 N 1.04 0.83 0.00 0.20 1.08 -0.39 -0.50 115.11 117.37 1wn0 h GLN 103 Ca 0.36 -0.55 -0.05 0.00 -1.45 0.00 0.00 58.65 56.96 1wn0 h GLN 103 Cb 0.08 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1wn0 h GLN 103 CO -0.14 1.18 -0.25 -0.07 -0.95 0.00 0.00 178.83 178.59 1wn0 h LEU 104 N 0.60 0.00 0.16 1.46 3.38 -0.65 -0.24 115.31 120.02 1wn0 h LEU 104 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.67 1wn0 h LEU 104 Cb 1.17 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.93 1wn0 h LEU 104 CO 0.12 0.25 -1.45 0.00 0.09 0.00 0.00 178.44 177.46 1wn0 h GLN 106 N 0.09 0.00 -0.00 0.00 4.20 -0.68 -2.50 115.11 116.22 1wn0 h GLN 106 Ca -0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1wn0 h GLN 106 Cb 2.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.82 1wn0 h GLN 106 CO 0.20 0.22 -0.07 -3.47 -0.67 0.00 0.00 178.83 175.04 1wn0 n ASP 107 N -4.13 0.29 -3.29 1.46 4.64 -0.14 -4.90 116.55 110.48 1wn0 n ASP 107 Ca -0.02 -0.46 -0.19 0.00 -1.38 0.00 0.00 54.79 52.73 1wn0 n ASP 107 Cb 0.28 -0.14 0.08 0.00 -1.04 0.00 0.00 41.12 40.31 1wn0 n ASP 107 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1wn0 n LYS 108 N -1.06 -6.81 -3.75 -0.67 5.02 -0.94 -4.96 118.16 104.99 1wn0 n LYS 108 Ca 0.15 0.77 -0.37 0.00 -2.02 0.00 0.00 58.31 56.84 1wn0 n LYS 108 Cb 0.26 -5.60 -0.11 0.00 -0.02 0.00 0.00 35.03 29.55 1wn0 n LYS 108 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1wn0 s ASN 109 N -3.70 5.29 0.15 4.39 3.84 -0.86 -4.96 114.94 119.10 1wn0 s ASN 109 Ca 0.31 -2.15 -0.17 0.00 0.21 0.00 0.00 52.86 51.06 1wn0 s ASN 109 Cb -0.14 -1.85 0.04 0.00 -0.55 0.00 0.00 41.25 38.75 1wn0 s ASN 109 CO 0.67 -0.53 1.76 -0.09 -2.79 0.00 0.00 177.10 176.12 1wn0 h ARG 110 N 7.92 0.27 -0.62 0.43 2.43 -1.93 -0.49 114.38 122.38 1wn0 h ARG 110 Ca -0.12 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1wn0 h ARG 110 Cb 1.03 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.49 1wn0 h ARG 110 CO 0.71 0.18 0.39 -0.44 -1.51 0.00 0.00 179.97 179.30 1wn0 h ASP 111 N 0.28 0.64 -0.75 -3.80 3.45 -1.97 -0.60 116.42 113.66 1wn0 h ASP 111 Ca 0.15 -0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.58 1wn0 h ASP 111 Cb 0.11 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 38.70 1wn0 h ASP 111 CO -0.14 0.45 0.37 1.23 -1.57 0.00 0.00 179.24 179.58 1wn0 h GLY 112 N 0.77 1.16 0.99 2.75 0.00 -1.86 -2.32 103.07 104.56 1wn0 h GLY 112 Ca 0.25 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1wn0 h GLY 112 CO -0.09 0.54 0.30 0.00 0.00 0.00 0.00 176.54 177.29 1wn0 h ILE 114 N 0.83 1.32 -0.26 0.00 2.04 -0.78 0.14 117.51 120.80 1wn0 h ILE 114 Ca 0.21 -1.69 -0.19 0.00 1.00 0.00 0.00 64.86 64.19 1wn0 h ILE 114 Cb 0.10 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1wn0 h ILE 114 CO -0.03 0.52 -0.56 -0.03 0.00 0.00 0.00 178.15 178.04 1wn0 h MET 115 N 0.33 0.85 -0.73 2.37 4.05 -1.08 -1.46 114.93 119.25 1wn0 h MET 115 Ca 0.02 -0.56 -0.03 0.00 -0.28 0.00 0.00 59.70 58.85 1wn0 h MET 115 Cb 0.96 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.81 1wn0 h MET 115 CO 0.08 1.19 0.35 0.00 0.23 0.00 0.00 176.91 178.76 1wn0 h ALA 116 N 0.65 0.95 -0.57 0.39 0.00 -0.42 -0.75 119.26 119.51 1wn0 h ALA 116 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1wn0 h ALA 116 Cb 1.18 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1wn0 h ALA 116 CO 0.12 0.52 0.25 1.25 0.00 0.00 0.00 179.25 181.39 1wn0 h LEU 117 N 1.03 0.77 -1.92 0.00 5.85 -0.71 0.14 115.31 120.47 1wn0 h LEU 117 Ca 0.25 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1wn0 h LEU 117 Cb 0.13 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1wn0 h LEU 117 CO -0.03 0.71 0.09 0.00 -0.34 0.00 0.00 178.44 178.87 1wn0 h ALA 118 N 1.09 2.00 -0.03 1.25 0.00 -0.52 -1.09 119.26 121.96 1wn0 h ALA 118 Ca 0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1wn0 h ALA 118 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1wn0 h ALA 118 CO -0.02 -0.03 -0.15 0.28 0.00 0.00 0.00 179.25 179.33 1wn0 h VAL 119 N 0.10 1.48 -0.52 0.00 2.07 0.43 -2.53 116.25 117.28 1wn0 h VAL 119 Ca 0.06 -1.64 0.07 0.00 0.82 0.00 0.00 66.70 66.00 1wn0 h VAL 119 Cb 0.11 2.47 -0.06 0.00 -1.52 0.00 0.00 31.29 32.29 1wn0 h VAL 119 CO -0.01 0.45 0.20 0.58 0.02 0.00 0.00 177.57 178.81 1wn0 h VAL 120 N -0.42 0.84 -0.46 2.57 2.07 -0.70 -1.55 116.25 118.60 1wn0 h VAL 120 Ca -0.01 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1wn0 h VAL 120 Cb 0.81 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1wn0 h VAL 120 CO 0.03 0.07 0.17 -0.09 0.02 0.00 0.00 177.57 177.77 1wn0 h ARG 121 N 0.39 0.70 -0.34 1.57 2.43 -1.16 0.39 114.38 118.36 1wn0 h ARG 121 Ca 0.25 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1wn0 h ARG 121 Cb 0.25 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1wn0 h ARG 121 CO -0.24 0.65 0.06 -0.91 -1.51 0.00 0.00 179.97 178.02 1wn0 h ASN 122 N 0.60 0.46 0.06 -3.80 -0.26 -1.18 0.26 115.58 111.71 1wn0 h ASN 122 Ca 0.15 -0.07 -0.24 0.00 -0.56 0.00 0.00 56.30 55.59 1wn0 h ASN 122 Cb 0.23 -0.12 0.02 0.00 -1.06 0.00 0.00 38.32 37.39 1wn0 h ASN 122 CO -0.01 0.48 -0.96 -0.33 -1.06 0.00 0.00 177.43 175.55 1wn0 h GLU 123 N 0.49 0.55 0.20 0.81 5.08 -0.27 -2.48 114.58 118.95 1wn0 h GLU 123 Ca 0.11 -0.67 -0.01 0.00 -1.00 0.00 0.00 59.36 57.79 1wn0 h GLU 123 Cb 0.23 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1wn0 h GLU 123 CO -0.00 1.28 -0.10 0.35 -1.00 0.00 0.00 179.01 179.54 1wn0 h PHE 124 N 0.12 -0.25 -0.95 4.33 3.57 -0.06 -1.63 116.94 122.08 1wn0 h PHE 124 Ca -0.14 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.48 1wn0 h PHE 124 Cb 1.66 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 40.40 1wn0 h PHE 124 CO 0.13 -0.07 0.58 1.88 -2.23 0.00 0.00 178.31 178.60 1wn0 h TYR 125 N -0.37 1.04 0.14 0.41 0.05 -0.43 -0.64 116.97 117.16 1wn0 h TYR 125 Ca -0.03 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1wn0 h TYR 125 Cb 0.29 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 37.70 1wn0 h TYR 125 CO -0.03 0.40 -0.07 0.22 -1.05 0.00 0.00 178.16 177.63 1wn0 h ASP 126 N 0.91 -0.16 -0.44 3.88 3.58 -1.29 -1.01 116.42 121.89 1wn0 h ASP 126 Ca 0.47 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.78 1wn0 h ASP 126 Cb 0.49 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 1wn0 h ASP 126 CO -0.27 0.02 0.16 0.25 -2.88 0.00 0.00 179.24 176.52 1wn0 h LEU 127 N -0.33 0.62 -0.39 2.28 6.46 -0.98 -2.89 115.31 120.08 1wn0 h LEU 127 Ca -0.02 -0.18 0.03 0.00 -0.12 0.00 0.00 57.88 57.58 1wn0 h LEU 127 Cb 0.26 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 1wn0 h LEU 127 CO 0.03 0.64 0.20 -0.09 -0.62 0.00 0.00 178.44 178.59 1wn0 h ARG 128 N 0.56 0.39 -0.99 1.25 2.43 -1.05 -0.17 114.38 116.81 1wn0 h ARG 128 Ca 0.14 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.36 1wn0 h ARG 128 Cb 0.22 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.62 1wn0 h ARG 128 CO -0.01 0.26 0.64 -0.91 -1.51 0.00 0.00 179.97 178.44 1wn0 h ASN 129 N 0.41 1.02 0.18 -3.80 2.35 -1.07 -1.51 115.58 113.16 1wn0 h ASN 129 Ca 0.16 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1wn0 h ASN 129 Cb 0.06 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1wn0 h ASN 129 CO -0.11 0.65 -0.09 0.11 -1.65 0.00 0.00 177.43 176.34 1wn0 h LYS 130 N 1.15 -0.24 -0.69 0.81 6.56 -1.24 -2.06 116.57 120.87 1wn0 h LYS 130 Ca 0.43 0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.99 1wn0 h LYS 130 Cb 0.17 0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 31.85 1wn0 h LYS 130 CO -0.17 -0.08 0.27 0.74 -2.06 0.00 0.00 179.45 178.14 1wn0 h PHE 131 N -0.34 1.03 -0.76 -1.35 0.04 -0.64 1.05 116.94 115.96 1wn0 h PHE 131 Ca -0.03 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 60.63 1wn0 h PHE 131 Cb 0.27 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 1wn0 h PHE 131 CO -0.04 0.79 0.31 1.96 -0.60 0.00 0.00 178.31 180.73 1wn0 h GLN 132 N 0.99 1.12 -0.27 1.51 4.20 -1.12 0.45 115.11 122.00 1wn0 h GLN 132 Ca 0.23 -0.19 -0.14 0.00 0.06 0.00 0.00 58.65 58.60 1wn0 h GLN 132 Cb 0.20 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1wn0 h GLN 132 CO -0.02 0.90 -0.42 1.15 -0.67 0.00 0.00 178.83 179.77 1wn0 h THR 133 N 1.10 1.29 0.48 -0.54 2.02 -0.60 -1.33 112.91 115.34 1wn0 h THR 133 Ca 0.25 -1.60 -0.02 0.00 0.77 0.00 0.00 66.41 65.81 1wn0 h THR 133 Cb 0.19 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1wn0 h THR 133 CO -0.02 0.51 -0.23 -0.03 0.37 0.00 0.00 175.52 176.12 1wn0 h MET 134 N 0.54 -0.63 -0.84 6.66 1.85 0.18 -1.07 114.93 121.63 1wn0 h MET 134 Ca 0.04 0.04 0.09 0.00 -0.61 0.00 0.00 59.70 59.26 1wn0 h MET 134 Cb 0.95 0.14 -0.07 0.00 0.43 0.00 0.00 31.60 33.05 1wn0 h MET 134 CO 0.09 -0.35 0.49 -0.07 -0.40 0.00 0.00 176.91 176.66 1wn0 h LEU 135 N -0.80 0.71 -1.02 3.39 3.38 -0.93 -0.76 115.31 119.28 1wn0 h LEU 135 Ca -0.07 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1wn0 h LEU 135 Cb 0.57 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1wn0 h LEU 135 CO 0.11 0.42 0.29 1.56 0.09 0.00 0.00 178.44 180.90 1wn0 h GLN 136 N 0.83 0.99 -0.27 1.13 4.20 -0.98 -1.48 115.11 119.53 1wn0 h GLN 136 Ca 0.40 -0.15 -0.14 0.00 0.06 0.00 0.00 58.65 58.81 1wn0 h GLN 136 Cb 0.33 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1wn0 h GLN 136 CO -0.23 0.79 -0.42 -0.07 -0.67 0.00 0.00 178.83 178.24 1wn0 h LEU 137 N 0.98 0.69 -0.16 1.46 3.38 -0.58 -2.86 115.31 118.22 1wn0 h LEU 137 Ca 0.23 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1wn0 h LEU 137 Cb 0.16 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1wn0 h LEU 137 CO -0.02 1.02 -0.12 -0.33 0.09 0.00 0.00 178.44 179.07 1wn0 h GLU 138 N 0.53 0.37 -0.93 1.13 5.08 -0.85 -1.87 114.58 118.04 1wn0 h GLU 138 Ca 0.04 -0.18 0.22 0.00 -1.00 0.00 0.00 59.36 58.44 1wn0 h GLU 138 Cb 0.94 -0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.07 1wn0 h GLU 138 CO 0.09 0.72 0.48 1.96 -1.00 0.00 0.00 179.01 181.25 1wn0 h GLN 139 N 0.02 0.49 0.20 2.33 4.20 -1.35 -2.41 115.11 118.59 1wn0 h GLN 139 Ca 0.03 -0.03 -0.34 0.00 0.06 0.00 0.00 58.65 58.37 1wn0 h GLN 139 Cb 0.63 -0.11 0.02 0.00 0.30 0.00 0.00 27.48 28.32 1wn0 h GLN 139 CO 0.03 0.32 -1.62 1.96 -0.67 0.00 0.00 178.83 178.85 1wn0 h GLN 140 N 0.50 0.42 -1.03 1.46 4.20 -1.36 -3.19 115.11 116.10 1wn0 h GLN 140 Ca 0.58 -0.71 0.29 0.00 0.06 0.00 0.00 58.65 58.86 1wn0 h GLN 140 Cb 1.07 0.27 -0.13 0.00 0.30 0.00 0.00 27.48 28.99 1wn0 h GLN 140 CO -0.49 1.33 0.62 0.82 -0.67 0.00 0.00 178.83 180.44 1wn0 h ILE 141 N 0.11 0.43 0.00 2.54 2.04 -1.12 -3.52 117.51 117.99 1wn0 h ILE 141 Ca -0.30 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1wn0 h ILE 141 Cb 2.11 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1wn0 h ILE 141 CO 0.21 0.08 0.00 0.00 0.00 0.00 0.00 178.15 178.44