#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wn0 n ALA 12 N 0.00 2.80 -0.28 5.20 0.00 -1.26 -3.44 120.51 123.54 1wn0 n ALA 12 Ca 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 53.44 52.99 1wn0 n ALA 12 Cb 0.00 -0.58 0.07 0.00 0.00 0.00 0.00 19.45 18.94 1wn0 n ALA 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wn0 h LEU 13 N 0.00 0.87 0.22 0.00 5.85 -2.03 -2.87 115.31 117.36 1wn0 h LEU 13 Ca 0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1wn0 h LEU 13 Cb 0.73 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1wn0 h LEU 13 CO 0.00 0.62 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.54 1wn0 h LEU 14 N 1.03 -0.25 -0.17 2.25 3.38 -2.01 -2.34 115.31 117.19 1wn0 h LEU 14 Ca 0.29 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.28 1wn0 h LEU 14 Cb -0.09 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1wn0 h LEU 14 CO -0.07 -0.16 -0.10 -1.20 0.09 0.00 0.00 178.44 177.00 1wn0 n SER 15 N -2.95 -0.18 -0.12 -0.43 7.64 -1.22 -1.33 113.62 115.03 1wn0 n SER 15 Ca -0.04 0.34 -0.06 0.00 1.01 0.00 0.00 58.87 60.12 1wn0 n SER 15 Cb 0.12 -0.05 0.02 0.00 -1.01 0.00 0.00 64.21 63.29 1wn0 n SER 15 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1wn0 h SER 16 N 0.00 0.20 -0.48 6.43 0.87 -1.57 -0.41 113.55 118.58 1wn0 h SER 16 Ca 0.03 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.71 1wn0 h SER 16 Cb 0.07 0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 61.96 1wn0 h SER 16 CO -0.16 0.15 0.01 0.24 -0.53 0.00 0.00 176.83 176.54 1wn0 h MET 17 N 0.34 0.12 -0.11 2.24 2.07 -0.63 0.12 114.93 119.08 1wn0 h MET 17 Ca 0.18 -0.01 -0.04 0.00 -2.07 0.00 0.00 59.70 57.76 1wn0 h MET 17 Cb 0.13 -0.03 -0.00 0.00 -1.87 0.00 0.00 31.60 29.83 1wn0 h MET 17 CO -0.16 0.08 -0.10 0.74 1.07 0.00 0.00 176.91 178.54 1wn0 h PHE 18 N 0.12 0.31 -0.50 -0.22 -1.00 -1.38 -1.99 116.94 112.27 1wn0 h PHE 18 Ca 0.24 -0.09 0.07 0.00 2.81 0.00 0.00 57.97 61.01 1wn0 h PHE 18 Cb 0.36 -0.06 -0.10 0.00 3.61 0.00 0.00 35.95 39.76 1wn0 h PHE 18 CO -0.30 0.67 -0.46 0.00 -1.61 0.00 0.00 178.31 176.61 1wn0 h ALA 19 N 0.59 -0.45 -0.00 2.45 0.00 -0.94 -1.79 119.26 119.11 1wn0 h ALA 19 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1wn0 h ALA 19 Cb 0.62 0.98 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1wn0 h ALA 19 CO 0.03 -0.88 -0.09 -1.13 0.00 0.00 0.00 179.25 177.18 1wn0 n SER 20 N -5.40 0.33 0.00 0.00 3.41 0.41 -4.92 113.62 107.45 1wn0 n SER 20 Ca -0.00 -0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 1wn0 n SER 20 Cb 0.35 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1wn0 n SER 20 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wn0 n GLY 21 N 1.28 0.62 0.26 5.00 0.00 -0.67 -4.94 105.19 106.74 1wn0 n GLY 21 Ca 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 0.44 -8.82 0.99 3.38 -1.66 -3.40 115.31 106.24 1wn0 h LEU 22 Ca 0.00 -0.10 -0.52 0.00 0.09 0.00 0.00 57.88 57.35 1wn0 h LEU 22 Cb 0.00 -0.12 -0.18 0.00 0.09 0.00 0.00 40.66 40.46 1wn0 h LEU 22 CO 0.00 0.58 -0.78 0.68 0.09 0.00 0.00 178.44 179.01 1wn0 s VAL 23 N -4.79 1.81 0.00 1.22 -7.23 -1.23 -3.50 120.40 106.67 1wn0 s VAL 23 Ca -0.07 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 1wn0 s VAL 23 Cb 0.15 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 35.25 1wn0 s VAL 23 CO 0.77 -0.33 0.00 -0.90 -0.31 0.00 0.00 175.10 174.33 1wn0 n ASP 24 N 0.27 1.26 -0.16 4.85 3.85 -1.01 -4.23 116.55 121.38 1wn0 n ASP 24 Ca -0.13 0.00 -0.07 0.00 -0.71 0.00 0.00 54.79 53.88 1wn0 n ASP 24 Cb 0.57 0.00 0.08 0.00 -1.35 0.00 0.00 41.12 40.42 1wn0 n ASP 24 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1wn0 h GLU 25 N 0.00 0.94 -0.89 0.11 -0.00 -1.98 -1.96 114.58 110.79 1wn0 h GLU 25 Ca 0.00 -0.30 0.24 0.00 -0.00 0.00 0.00 59.36 59.30 1wn0 h GLU 25 Cb 0.00 -0.08 -0.15 0.00 -0.00 0.00 0.00 28.75 28.52 1wn0 h GLU 25 CO 0.00 0.96 0.20 0.37 -0.00 0.00 0.00 179.01 180.54 1wn0 h GLN 26 N 0.86 0.16 -0.70 1.06 -0.00 -1.93 -2.32 115.11 112.22 1wn0 h GLN 26 Ca 0.15 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.75 1wn0 h GLN 26 Cb 0.56 -0.04 -0.03 0.00 0.00 0.00 0.00 27.48 27.98 1wn0 h GLN 26 CO 0.03 0.10 0.26 0.35 0.00 0.00 0.00 178.83 179.58 1wn0 h PHE 27 N 0.16 1.07 -0.63 3.99 3.04 -1.56 -0.99 116.94 122.03 1wn0 h PHE 27 Ca 0.56 -0.08 0.03 0.00 3.98 0.00 0.00 57.97 62.46 1wn0 h PHE 27 Cb 1.15 -0.32 -0.04 0.00 2.56 0.00 0.00 35.95 39.30 1wn0 h PHE 27 CO -0.30 0.83 0.39 1.96 -2.02 0.00 0.00 178.31 179.17 1wn0 h GLN 28 N 1.02 0.75 -0.97 1.11 4.20 -1.48 0.11 115.11 119.84 1wn0 h GLN 28 Ca 0.23 -0.04 0.20 0.00 0.06 0.00 0.00 58.65 59.10 1wn0 h GLN 28 Cb 0.23 -0.17 -0.09 0.00 0.30 0.00 0.00 27.48 27.75 1wn0 h GLN 28 CO -0.02 0.49 0.62 0.37 -0.67 0.00 0.00 178.83 179.62 1wn0 h GLN 29 N 0.77 0.60 -0.21 1.46 4.15 -1.05 0.11 115.11 120.93 1wn0 h GLN 29 Ca 0.25 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.54 1wn0 h GLN 29 Cb 0.01 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.56 1wn0 h GLN 29 CO -0.10 0.40 -0.23 -0.07 -1.93 0.00 0.00 178.83 176.90 1wn0 h LEU 30 N 0.62 0.57 -0.74 -2.39 3.38 -0.39 -3.32 115.31 113.03 1wn0 h LEU 30 Ca 0.54 -0.48 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1wn0 h LEU 30 Cb 1.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1wn0 h LEU 30 CO -0.30 0.94 -0.12 -0.61 0.09 0.00 0.00 178.44 178.43 1wn0 h GLN 31 N 0.21 0.83 -0.72 1.13 5.75 -0.44 -2.76 115.11 119.12 1wn0 h GLN 31 Ca 0.03 -0.29 0.15 0.00 -0.15 0.00 0.00 58.65 58.39 1wn0 h GLN 31 Cb 0.78 -0.06 -0.13 0.00 1.07 0.00 0.00 27.48 29.14 1wn0 h GLN 31 CO 0.06 0.91 -0.13 1.98 -2.65 0.00 0.00 178.83 179.00 1wn0 h MET 32 N 0.75 0.02 -1.01 1.69 4.05 -1.11 -0.28 114.93 119.04 1wn0 h MET 32 Ca 0.12 -0.00 0.22 0.00 -0.28 0.00 0.00 59.70 59.76 1wn0 h MET 32 Cb 0.63 -0.01 -0.11 0.00 -0.80 0.00 0.00 31.60 31.31 1wn0 h MET 32 CO 0.04 0.02 0.61 -0.07 0.23 0.00 0.00 176.91 177.74 1wn0 h LEU 33 N 0.03 0.71 -7.94 3.39 4.07 -1.58 -3.52 115.31 110.46 1wn0 h LEU 33 Ca 0.36 0.11 -0.66 0.00 0.08 0.00 0.00 57.88 57.77 1wn0 h LEU 33 Cb 0.57 -0.01 -0.09 0.00 1.08 0.00 0.00 40.66 42.21 1wn0 h LEU 33 CO -0.71 0.19 1.94 -1.10 -1.08 0.00 0.00 178.44 177.67 1wn0 s GLN 34 N -5.79 3.86 -1.06 1.13 -1.52 -0.12 -4.91 119.66 111.25 1wn0 s GLN 34 Ca -0.11 -1.73 -0.10 0.00 -1.95 0.00 0.00 55.36 51.46 1wn0 s GLN 34 Cb 0.26 -5.46 -0.05 0.00 -0.22 0.00 0.00 33.01 27.54 1wn0 s GLN 34 CO 0.80 -2.22 0.87 0.25 -0.25 0.00 0.00 175.29 174.74 1wn0 n THR 39 N 6.49 -8.18 -1.68 -0.19 -2.24 -1.26 -5.11 114.28 102.10 1wn0 n THR 39 Ca 0.43 -1.19 -0.44 0.00 -2.27 0.00 0.00 64.05 60.57 1wn0 n THR 39 Cb 0.48 -5.86 -0.04 0.00 -2.10 0.00 0.00 70.33 62.81 1wn0 n THR 39 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1wn0 n PRO 40 N -3.47 2.50 -0.63 -0.78 -0.04 -1.26 -3.21 135.00 128.11 1wn0 n PRO 40 Ca -0.08 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 1wn0 n PRO 40 Cb 0.61 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 1wn0 n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wn0 n GLY 41 N 4.03 1.06 0.38 0.55 0.00 -1.26 -4.91 105.19 105.04 1wn0 n GLY 41 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.85 -0.03 1.61 3.57 -1.97 -1.21 116.94 118.06 1wn0 h PHE 42 Ca 0.00 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1wn0 h PHE 42 Cb 0.00 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 1wn0 h PHE 42 CO 0.00 -0.53 -0.27 0.28 -2.23 0.00 0.00 178.31 175.56 1wn0 h VAL 43 N -1.21 0.38 -0.90 1.41 2.07 -1.89 0.12 116.25 116.22 1wn0 h VAL 43 Ca -0.09 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.58 1wn0 h VAL 43 Cb 0.70 0.38 -0.15 0.00 -1.52 0.00 0.00 31.29 30.70 1wn0 h VAL 43 CO 0.15 0.00 -0.35 0.00 0.02 0.00 0.00 177.57 177.40 1wn0 h ALA 44 N 0.42 0.21 -0.51 1.67 0.00 -1.97 0.87 119.26 119.95 1wn0 h ALA 44 Ca 0.07 0.27 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 1wn0 h ALA 44 Cb 0.50 0.90 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1wn0 h ALA 44 CO -0.26 -0.59 -0.17 1.49 0.00 0.00 0.00 179.25 179.73 1wn0 h GLU 45 N -0.04 1.02 -0.42 0.00 4.81 0.08 -1.32 114.58 118.71 1wn0 h GLU 45 Ca 0.34 -0.41 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1wn0 h GLU 45 Cb 0.60 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1wn0 h GLU 45 CO -0.92 1.09 0.05 0.28 -0.73 0.00 0.00 179.01 178.79 1wn0 h VAL 46 N 0.89 1.21 0.12 0.32 2.07 0.27 -0.94 116.25 120.18 1wn0 h VAL 46 Ca 0.13 -0.78 -0.27 0.00 0.82 0.00 0.00 66.70 66.59 1wn0 h VAL 46 Cb 0.74 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1wn0 h VAL 46 CO 0.06 0.28 -1.26 0.58 0.02 0.00 0.00 177.57 177.24 1wn0 h VAL 47 N 0.62 1.47 -0.13 2.57 2.07 -0.65 -2.28 116.25 119.92 1wn0 h VAL 47 Ca 0.13 -3.06 -0.18 0.00 0.82 0.00 0.00 66.70 64.42 1wn0 h VAL 47 Cb 0.31 2.92 0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1wn0 h VAL 47 CO 0.00 0.89 -0.61 0.74 0.02 0.00 0.00 177.57 178.61 1wn0 h THR 48 N 0.07 1.33 -0.79 2.57 2.02 -1.25 -2.09 112.91 114.77 1wn0 h THR 48 Ca -0.14 -1.87 0.12 0.00 0.77 0.00 0.00 66.41 65.29 1wn0 h THR 48 Cb 1.97 2.08 -0.08 0.00 -1.74 0.00 0.00 68.15 70.37 1wn0 h THR 48 CO 0.19 0.58 0.39 0.25 0.37 0.00 0.00 175.52 177.31 1wn0 h LEU 49 N 0.31 0.48 -0.05 2.58 5.85 -1.18 -0.15 115.31 123.16 1wn0 h LEU 49 Ca -0.04 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1wn0 h LEU 49 Cb 1.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1wn0 h LEU 49 CO 0.13 0.24 -0.08 0.15 -0.34 0.00 0.00 178.44 178.54 1wn0 h PHE 50 N 0.61 -0.19 -0.60 1.25 3.57 -1.19 0.08 116.94 120.46 1wn0 h PHE 50 Ca 0.41 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.92 1wn0 h PHE 50 Cb 0.52 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 1wn0 h PHE 50 CO -0.11 -0.12 0.39 0.00 -2.23 0.00 0.00 178.31 176.24 1wn0 h ASP 52 N 0.82 0.87 -0.07 0.00 3.45 -0.98 -2.48 116.42 118.02 1wn0 h ASP 52 Ca 0.22 -0.43 -0.04 0.00 0.43 0.00 0.00 57.03 57.21 1wn0 h ASP 52 Cb -0.07 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 38.46 1wn0 h ASP 52 CO -0.05 1.11 -0.09 0.44 -1.57 0.00 0.00 179.24 179.08 1wn0 h ASP 53 N 0.63 0.21 -0.55 6.45 3.32 -0.66 -2.11 116.42 123.71 1wn0 h ASP 53 Ca 0.07 -0.52 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 1wn0 h ASP 53 Cb 0.82 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 1wn0 h ASP 53 CO 0.07 0.68 0.26 0.00 -1.72 0.00 0.00 179.24 178.53 1wn0 h ALA 54 N 0.53 0.70 -0.49 3.45 0.00 -1.05 0.90 119.26 123.30 1wn0 h ALA 54 Ca 0.01 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1wn0 h ALA 54 Cb 0.63 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1wn0 h ALA 54 CO 0.02 0.27 0.30 0.22 0.00 0.00 0.00 179.25 180.05 1wn0 h ASP 55 N 0.73 0.48 -0.21 0.00 3.58 -1.42 0.42 116.42 120.00 1wn0 h ASP 55 Ca 0.19 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.58 1wn0 h ASP 55 Cb 0.12 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1wn0 h ASP 55 CO -0.02 0.34 -0.11 -0.09 -2.88 0.00 0.00 179.24 176.48 1wn0 h ARG 56 N 0.59 0.45 -0.73 0.28 2.43 -1.11 -2.45 114.38 113.83 1wn0 h ARG 56 Ca 0.20 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1wn0 h ARG 56 Cb 0.01 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1wn0 h ARG 56 CO -0.08 0.73 0.21 0.82 -1.51 0.00 0.00 179.97 180.14 1wn0 h ILE 57 N 0.15 1.26 -0.42 1.20 2.04 -0.60 -0.37 117.51 120.77 1wn0 h ILE 57 Ca 0.05 -0.93 -0.07 0.00 1.00 0.00 0.00 64.86 64.91 1wn0 h ILE 57 Cb 0.60 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1wn0 h ILE 57 CO 0.03 0.36 0.01 0.40 0.00 0.00 0.00 178.15 178.95 1wn0 h ILE 58 N 1.10 1.26 -0.84 -0.67 2.04 -0.89 -0.04 117.51 119.46 1wn0 h ILE 58 Ca 0.23 -1.01 0.03 0.00 1.00 0.00 0.00 64.86 65.11 1wn0 h ILE 58 Cb 0.33 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 1wn0 h ILE 58 CO -0.00 0.35 0.55 0.28 0.00 0.00 0.00 178.15 179.32 1wn0 h SER 59 N 0.58 0.92 -0.05 1.72 0.02 -1.12 -0.83 113.55 114.78 1wn0 h SER 59 Ca 0.12 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1wn0 h SER 59 Cb 0.47 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1wn0 h SER 59 CO 0.02 0.64 -0.15 -0.33 -1.14 0.00 0.00 176.83 175.87 1wn0 h GLU 60 N 1.08 0.39 -0.74 3.45 5.08 -0.86 -2.40 114.58 120.58 1wn0 h GLU 60 Ca 0.33 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1wn0 h GLU 60 Cb -0.03 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1wn0 h GLU 60 CO -0.10 0.54 0.26 -0.07 -1.00 0.00 0.00 179.01 178.64 1wn0 h LEU 61 N 0.36 1.06 -0.29 1.33 3.38 -0.13 -0.99 115.31 120.03 1wn0 h LEU 61 Ca 0.07 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1wn0 h LEU 61 Cb 0.49 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1wn0 h LEU 61 CO 0.03 0.97 -0.12 0.00 0.09 0.00 0.00 178.44 179.41 1wn0 h ALA 62 N 1.13 0.40 -0.74 1.53 0.00 -0.94 -0.99 119.26 119.64 1wn0 h ALA 62 Ca 0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1wn0 h ALA 62 Cb 0.27 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1wn0 h ALA 62 CO -0.01 0.27 0.42 0.00 0.00 0.00 0.00 179.25 179.92 1wn0 h ALA 63 N 0.75 0.95 -0.29 0.00 0.00 -1.31 -3.06 119.26 116.31 1wn0 h ALA 63 Ca 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1wn0 h ALA 63 Cb 0.63 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1wn0 h ALA 63 CO 0.04 0.45 0.09 -0.07 0.00 0.00 0.00 179.25 179.76 1wn0 h LEU 64 N 1.02 0.42 0.00 0.00 4.07 -0.70 -2.74 115.31 117.37 1wn0 h LEU 64 Ca 0.26 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1wn0 h LEU 64 Cb 0.02 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.65 1wn0 h LEU 64 CO -0.04 0.51 0.00 0.18 -1.08 0.00 0.00 178.44 178.01 1wn0 n LEU 65 N -4.71 0.00 -0.68 1.67 4.77 -0.42 -2.31 117.00 115.32 1wn0 n LEU 65 Ca -0.02 0.26 0.07 0.00 -0.03 0.00 0.00 56.01 56.29 1wn0 n LEU 65 Cb 0.16 -0.26 0.13 0.00 -2.33 0.00 0.00 43.42 41.11 1wn0 n LEU 65 CO 0.36 -0.13 0.57 -0.67 -1.33 0.00 0.00 177.39 176.19 1wn0 n ASP 66 N -1.26 2.66 -4.78 -1.43 2.03 -1.04 -5.00 116.55 107.72 1wn0 n ASP 66 Ca 0.07 -1.79 -0.33 0.00 0.52 0.00 0.00 54.79 53.26 1wn0 n ASP 66 Cb 0.11 -0.15 0.03 0.00 -0.72 0.00 0.00 41.12 40.39 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 -1.08 3.09 0.15 -0.67 -1.52 -0.98 -4.99 119.66 113.67 1wn0 s GLN 67 Ca 0.23 1.34 -0.22 0.00 -1.95 0.00 0.00 55.36 54.75 1wn0 s GLN 67 Cb 0.13 -1.99 0.03 0.00 -0.22 0.00 0.00 33.01 30.96 1wn0 s GLN 67 CO 0.19 -1.01 1.63 -1.35 -0.25 0.00 0.00 175.29 174.50 1wn0 h PRO 68 N 0.35 -0.21 -5.08 2.91 0.11 -1.94 -3.36 132.00 124.78 1wn0 h PRO 68 Ca -0.47 0.01 -0.66 0.00 0.11 0.00 0.00 66.00 64.99 1wn0 h PRO 68 Cb 1.24 0.05 -0.30 0.00 0.11 0.00 0.00 31.00 32.10 1wn0 h PRO 68 CO 0.56 -0.14 -0.77 0.42 -0.21 0.00 0.00 178.00 177.85 1wn0 s ILE 69 N -6.10 2.92 -0.13 4.15 -1.09 -1.26 -5.09 121.20 114.60 1wn0 s ILE 69 Ca -0.15 -0.66 -0.24 0.00 -2.23 0.00 0.00 60.65 57.38 1wn0 s ILE 69 Cb 0.12 -2.28 -0.02 0.00 -1.58 0.00 0.00 42.46 38.69 1wn0 s ILE 69 CO 0.68 0.48 0.75 -0.69 -1.23 0.00 0.00 174.94 174.93 1wn0 s VAL 70 N 1.20 4.97 -0.96 2.92 1.01 -1.26 -5.01 120.40 123.27 1wn0 s VAL 70 Ca 0.02 1.50 -0.21 0.00 0.00 0.00 0.00 61.98 63.29 1wn0 s VAL 70 Cb -0.14 -4.07 0.09 0.00 0.00 0.00 0.00 36.38 32.25 1wn0 s VAL 70 CO -0.04 0.13 1.28 -0.62 0.00 0.00 0.00 175.10 175.85 1wn0 s ASP 71 N 1.03 6.54 0.48 3.32 -1.08 -1.26 -4.90 116.67 120.80 1wn0 s ASP 71 Ca 0.37 -1.67 0.27 0.00 -0.52 0.00 0.00 52.55 50.99 1wn0 s ASP 71 Cb -0.17 -2.49 1.15 0.00 -1.46 0.00 0.00 42.92 39.95 1wn0 s ASP 71 CO 0.15 -1.32 1.92 -0.26 0.52 0.00 0.00 175.17 176.18 1wn0 h PHE 72 N 9.36 0.00 -0.55 -5.34 0.04 -1.95 -2.18 116.94 116.33 1wn0 h PHE 72 Ca 0.15 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.90 1wn0 h PHE 72 Cb 1.02 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.14 1wn0 h PHE 72 CO 1.21 0.16 0.26 -0.44 -0.60 0.00 0.00 178.31 178.91 1wn0 h ASP 73 N 0.00 0.71 0.01 2.17 3.32 -1.93 -1.78 116.42 118.93 1wn0 h ASP 73 Ca -0.00 -0.13 -0.15 0.00 0.02 0.00 0.00 57.03 56.77 1wn0 h ASP 73 Cb 0.60 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1wn0 h ASP 73 CO 0.02 0.64 -0.48 0.50 -1.72 0.00 0.00 179.24 178.20 1wn0 h LYS 74 N 0.74 0.54 -0.52 3.56 3.64 -1.89 0.17 116.57 122.80 1wn0 h LYS 74 Ca 0.19 -0.31 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1wn0 h LYS 74 Cb 0.11 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1wn0 h LYS 74 CO -0.02 0.90 0.17 0.28 -2.27 0.00 0.00 179.45 178.51 1wn0 h VAL 75 N 0.43 1.23 -0.32 2.00 2.07 -1.33 -1.62 116.25 118.70 1wn0 h VAL 75 Ca 0.02 -0.76 -0.11 0.00 0.82 0.00 0.00 66.70 66.67 1wn0 h VAL 75 Cb 1.00 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1wn0 h VAL 75 CO 0.09 0.28 -0.23 -0.78 0.02 0.00 0.00 177.57 176.95 1wn0 h ASP 76 N 0.71 0.76 -0.89 0.57 3.58 -1.05 -0.52 116.42 119.59 1wn0 h ASP 76 Ca 0.17 -0.44 -0.00 0.00 0.42 0.00 0.00 57.03 57.18 1wn0 h ASP 76 Cb 0.26 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.06 1wn0 h ASP 76 CO -0.01 1.04 0.55 0.00 -2.88 0.00 0.00 179.24 177.94 1wn0 h ALA 77 N 0.75 1.29 -0.61 -0.78 0.00 -0.49 -1.34 119.26 118.08 1wn0 h ALA 77 Ca 0.06 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1wn0 h ALA 77 Cb 0.79 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1wn0 h ALA 77 CO 0.06 0.62 0.06 1.88 0.00 0.00 0.00 179.25 181.87 1wn0 h TYR 78 N 1.22 1.11 -0.60 0.00 0.05 -1.08 -1.22 116.97 116.45 1wn0 h TYR 78 Ca 0.32 -0.17 -0.08 0.00 0.05 0.00 0.00 58.73 58.85 1wn0 h TYR 78 Cb -0.07 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.35 1wn0 h TYR 78 CO 0.00 0.96 0.05 0.28 -1.05 0.00 0.00 178.16 178.41 1wn0 h VAL 79 N 0.94 1.26 -0.67 -2.88 2.07 -0.95 -0.39 116.25 115.62 1wn0 h VAL 79 Ca 0.18 -1.08 0.09 0.00 0.82 0.00 0.00 66.70 66.71 1wn0 h VAL 79 Cb 0.48 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 1wn0 h VAL 79 CO 0.02 0.39 0.31 -0.74 0.02 0.00 0.00 177.57 177.58 1wn0 h HIS 80 N 0.94 0.56 -0.91 1.57 -0.00 -0.85 0.12 115.15 116.58 1wn0 h HIS 80 Ca 0.18 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.59 1wn0 h HIS 80 Cb 0.49 -0.15 -0.05 0.00 -0.00 0.00 0.00 27.41 27.71 1wn0 h HIS 80 CO 0.04 0.19 0.60 1.96 -0.00 0.00 0.00 177.93 180.72 1wn0 h GLN 81 N 0.54 1.19 -0.46 5.26 4.20 -0.77 -1.71 115.11 123.36 1wn0 h GLN 81 Ca 0.33 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.87 1wn0 h GLN 81 Cb 0.36 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1wn0 h GLN 81 CO -0.27 0.79 -0.10 1.25 -0.67 0.00 0.00 178.83 179.82 1wn0 h LEU 82 N 1.23 0.83 -0.03 1.46 5.85 -0.22 -1.76 115.31 122.66 1wn0 h LEU 82 Ca 0.33 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1wn0 h LEU 82 Cb -0.14 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.65 1wn0 h LEU 82 CO -0.07 0.95 -0.07 0.50 -0.34 0.00 0.00 178.44 179.41 1wn0 h LYS 83 N 0.76 -0.11 -0.48 1.25 3.64 -0.64 -0.25 116.57 120.74 1wn0 h LYS 83 Ca 0.13 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1wn0 h LYS 83 Cb 0.60 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1wn0 h LYS 83 CO 0.04 -0.07 0.31 0.78 -2.27 0.00 0.00 179.45 178.23 1wn0 h GLY 84 N -0.11 0.68 1.04 5.01 0.00 -1.05 0.12 103.07 108.75 1wn0 h GLY 84 Ca 0.04 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 1wn0 h GLY 84 CO -0.10 0.22 0.07 0.23 0.00 0.00 0.00 176.54 176.96 1wn0 h SER 85 N 0.62 0.96 -0.29 0.19 0.87 -1.28 -1.90 113.55 112.71 1wn0 h SER 85 Ca 0.18 -0.27 -0.18 0.00 -1.23 0.00 0.00 61.79 60.30 1wn0 h SER 85 Cb -0.04 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.67 1wn0 h SER 85 CO -0.06 0.99 -0.51 0.77 -0.53 0.00 0.00 176.83 177.49 1wn0 h SER 86 N 0.89 0.95 -0.81 6.23 4.64 -0.56 -2.72 113.55 122.17 1wn0 h SER 86 Ca 0.18 -0.53 0.16 0.00 -0.47 0.00 0.00 61.79 61.12 1wn0 h SER 86 Cb 0.45 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 62.22 1wn0 h SER 86 CO 0.02 1.29 0.54 0.00 -0.87 0.00 0.00 176.83 177.80 1wn0 h ALA 87 N 0.68 2.07 -0.04 5.18 0.00 -0.54 -0.79 119.26 125.82 1wn0 h ALA 87 Ca 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1wn0 h ALA 87 Cb 1.12 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wn0 h ALA 87 CO 0.11 -0.29 -0.03 0.66 0.00 0.00 0.00 179.25 179.71 1wn0 h SER 88 N 0.48 0.04 -0.30 0.00 4.64 -1.02 -1.86 113.55 115.54 1wn0 h SER 88 Ca 0.40 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1wn0 h SER 88 Cb 0.87 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1wn0 h SER 88 CO -0.15 0.08 0.00 1.33 -0.87 0.00 0.00 176.83 177.23 1wn0 n VAL 89 N -4.47 1.79 -2.74 0.95 0.24 -0.98 -4.97 118.33 108.15 1wn0 n VAL 89 Ca -0.02 -1.53 -0.22 0.00 -2.04 0.00 0.00 64.34 60.53 1wn0 n VAL 89 Cb 0.13 0.04 0.01 0.00 -1.47 0.00 0.00 33.84 32.56 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 -0.10 -0.51 2.97 7.63 0.00 -0.70 -4.41 105.19 110.06 1wn0 n GLY 90 Ca 0.18 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1wn0 n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wn0 n ALA 91 N -2.86 5.01 -0.33 4.61 0.00 -0.35 -2.40 120.51 124.20 1wn0 n ALA 91 Ca -0.17 -3.94 0.20 0.00 0.00 0.00 0.00 53.44 49.53 1wn0 n ALA 91 Cb 0.65 -3.47 0.46 0.00 0.00 0.00 0.00 19.45 17.09 1wn0 n ALA 91 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1wn0 h GLN 92 N 6.37 0.46 0.05 0.00 -0.00 -1.83 -1.86 115.11 118.30 1wn0 h GLN 92 Ca 0.51 -0.03 -0.26 0.00 -0.00 0.00 0.00 58.65 58.88 1wn0 h GLN 92 Cb 0.70 -0.10 0.01 0.00 0.00 0.00 0.00 27.48 28.09 1wn0 h GLN 92 CO 1.74 0.30 -1.08 0.87 0.00 0.00 0.00 178.83 180.66 1wn0 h LYS 93 N 0.47 0.50 -0.20 1.69 1.57 -1.77 -1.62 116.57 117.22 1wn0 h LYS 93 Ca 0.60 -0.61 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1wn0 h LYS 93 Cb 1.36 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.85 1wn0 h LYS 93 CO -0.34 1.24 0.08 0.28 -0.57 0.00 0.00 179.45 180.13 1wn0 h VAL 94 N 0.25 1.16 -0.98 0.50 2.07 -1.83 -1.44 116.25 115.99 1wn0 h VAL 94 Ca -0.13 -0.49 0.07 0.00 0.82 0.00 0.00 66.70 66.97 1wn0 h VAL 94 Cb 1.74 1.13 -0.07 0.00 -1.52 0.00 0.00 31.29 32.57 1wn0 h VAL 94 CO 0.20 0.16 0.63 0.50 0.02 0.00 0.00 177.57 179.08 1wn0 h LYS 95 N 0.16 1.11 -0.18 1.57 3.64 -1.28 -0.69 116.57 120.90 1wn0 h LYS 95 Ca 0.07 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1wn0 h LYS 95 Cb 0.18 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1wn0 h LYS 95 CO -0.01 0.74 -0.25 0.35 -2.27 0.00 0.00 179.45 178.01 1wn0 h PHE 96 N 1.15 0.61 -0.95 1.91 3.04 -0.93 -2.55 116.94 119.22 1wn0 h PHE 96 Ca 0.43 -0.20 0.15 0.00 3.98 0.00 0.00 57.97 62.32 1wn0 h PHE 96 Cb 0.17 -0.12 -0.09 0.00 2.56 0.00 0.00 35.95 38.47 1wn0 h PHE 96 CO -0.01 0.89 0.56 1.15 -2.02 0.00 0.00 178.31 178.89 1wn0 h THR 97 N 0.15 0.80 -0.22 4.41 2.02 -0.82 -2.02 112.91 117.23 1wn0 h THR 97 Ca 0.02 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1wn0 h THR 97 Cb 0.82 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1wn0 h THR 97 CO 0.06 0.15 0.00 0.00 0.37 0.00 0.00 175.52 176.10 1wn0 h MET 99 N 0.32 0.00 -0.00 0.00 2.86 -0.98 -2.23 114.93 114.90 1wn0 h MET 99 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1wn0 h MET 99 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1wn0 h MET 99 CO 0.00 0.00 -0.04 1.04 1.06 0.00 0.00 176.91 178.98 1wn0 n GLN 100 N -3.06 0.59 0.23 1.72 1.13 -0.52 -3.04 117.38 114.43 1wn0 n GLN 100 Ca -0.01 -0.08 0.14 0.00 -1.94 0.00 0.00 57.00 55.12 1wn0 n GLN 100 Cb 0.22 -1.50 0.45 0.00 0.11 0.00 0.00 30.24 29.52 1wn0 n GLN 100 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 1wn0 h PHE 101 N 0.20 0.00 0.03 1.08 -1.00 -1.47 -3.32 116.94 112.47 1wn0 h PHE 101 Ca 0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1wn0 h PHE 101 Cb 0.28 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.84 1wn0 h PHE 101 CO 0.00 0.00 -0.02 0.00 -1.61 0.00 0.00 178.31 176.68 1wn0 h ARG 102 N 0.00 -0.04 -0.13 1.51 -0.00 -1.73 0.21 114.38 114.20 1wn0 h ARG 102 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.48 1wn0 h ARG 102 Cb 0.71 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.68 1wn0 h ARG 102 CO 0.00 0.21 0.05 0.37 0.00 0.00 0.00 179.97 180.60 1wn0 h GLN 103 N -0.30 0.17 -0.07 0.04 5.75 -1.80 -0.76 115.11 118.14 1wn0 h GLN 103 Ca -0.00 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.41 1wn0 h GLN 103 Cb 0.27 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.79 1wn0 h GLN 103 CO 0.01 0.15 -0.24 -0.07 -2.65 0.00 0.00 178.83 176.03 1wn0 h LEU 104 N 0.17 0.33 -1.13 -2.39 3.38 -1.47 -1.20 115.31 113.01 1wn0 h LEU 104 Ca 0.04 -0.62 -0.05 0.00 0.09 0.00 0.00 57.88 57.35 1wn0 h LEU 104 Cb 0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1wn0 h LEU 104 CO -0.00 0.89 0.08 0.00 0.09 0.00 0.00 178.44 179.50 1wn0 h GLN 106 N 0.67 1.10 0.00 0.00 5.75 -0.97 0.60 115.11 122.26 1wn0 h GLN 106 Ca 0.15 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 1wn0 h GLN 106 Cb 0.30 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.69 1wn0 h GLN 106 CO 0.00 0.94 0.00 -0.25 -2.65 0.00 0.00 178.83 176.88 1wn0 n ASP 107 N -4.30 0.00 -3.98 -0.69 10.43 -0.47 -4.90 116.55 112.64 1wn0 n ASP 107 Ca 0.05 -0.25 -0.30 0.00 2.57 0.00 0.00 54.79 56.86 1wn0 n ASP 107 Cb 0.22 -0.24 0.01 0.00 1.84 0.00 0.00 41.12 42.95 1wn0 n ASP 107 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1wn0 n LYS 108 N -1.24 -4.50 -3.10 -1.24 5.02 0.20 -4.90 118.16 108.41 1wn0 n LYS 108 Ca 0.15 0.51 -0.45 0.00 -2.02 0.00 0.00 58.31 56.50 1wn0 n LYS 108 Cb 0.21 -5.21 -0.02 0.00 -0.02 0.00 0.00 35.03 29.98 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 -3.58 6.68 0.19 4.39 2.47 -0.73 -4.94 114.94 119.43 1wn0 s ASN 109 Ca 0.52 -2.31 -0.13 0.00 0.42 0.00 0.00 52.86 51.36 1wn0 s ASN 109 Cb -0.27 -2.32 0.21 0.00 -1.45 0.00 0.00 41.25 37.42 1wn0 s ASN 109 CO 0.86 -0.86 1.70 -0.09 -3.72 0.00 0.00 177.10 175.00 1wn0 h ARG 110 N 8.39 0.20 -0.56 0.43 2.43 -1.90 -1.58 114.38 121.78 1wn0 h ARG 110 Ca 0.14 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.37 1wn0 h ARG 110 Cb 1.03 -0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 30.43 1wn0 h ARG 110 CO 0.96 0.13 -0.46 -0.44 -1.51 0.00 0.00 179.97 178.65 1wn0 h ASP 111 N 0.20 -1.56 -0.32 -3.80 3.45 -1.97 -0.99 116.42 111.43 1wn0 h ASP 111 Ca 0.26 0.25 -0.07 0.00 0.43 0.00 0.00 57.03 57.90 1wn0 h ASP 111 Cb 0.37 0.70 -0.02 0.00 -0.56 0.00 0.00 39.33 39.82 1wn0 h ASP 111 CO -0.37 -0.34 -0.02 1.23 -1.57 0.00 0.00 179.24 178.17 1wn0 h GLY 112 N -0.25 0.74 1.57 2.75 0.00 -1.88 0.56 103.07 106.56 1wn0 h GLY 112 Ca 0.16 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 1wn0 h GLY 112 CO -0.68 0.45 -0.26 0.00 0.00 0.00 0.00 176.54 176.05 1wn0 h ILE 114 N 0.44 1.34 -0.46 0.00 2.04 -0.50 0.45 117.51 120.82 1wn0 h ILE 114 Ca 0.06 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 1wn0 h ILE 114 Cb 0.68 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 1wn0 h ILE 114 CO 0.05 0.33 0.23 0.24 0.00 0.00 0.00 178.15 179.01 1wn0 h MET 115 N -0.12 0.65 -0.04 2.37 2.86 -0.70 -1.56 114.93 118.39 1wn0 h MET 115 Ca 0.02 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1wn0 h MET 115 Cb 0.56 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1wn0 h MET 115 CO 0.02 0.54 -0.23 0.00 1.06 0.00 0.00 176.91 178.29 1wn0 h ALA 116 N 1.08 1.54 -0.40 6.32 0.00 -0.66 -1.59 119.26 125.55 1wn0 h ALA 116 Ca 0.16 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1wn0 h ALA 116 Cb 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1wn0 h ALA 116 CO -0.02 0.34 -0.35 1.25 0.00 0.00 0.00 179.25 180.47 1wn0 h LEU 117 N 0.07 0.99 -0.67 0.00 5.85 0.64 -1.02 115.31 121.16 1wn0 h LEU 117 Ca 0.01 -0.43 -0.11 0.00 0.84 0.00 0.00 57.88 58.19 1wn0 h LEU 117 Cb 0.45 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1wn0 h LEU 117 CO 0.03 1.23 -0.12 0.00 -0.34 0.00 0.00 178.44 179.24 1wn0 h ALA 118 N 0.82 0.87 -0.64 1.25 0.00 -0.95 -1.03 119.26 119.57 1wn0 h ALA 118 Ca 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1wn0 h ALA 118 Cb 0.93 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1wn0 h ALA 118 CO 0.09 0.64 0.35 0.28 0.00 0.00 0.00 179.25 180.61 1wn0 h VAL 119 N 0.82 1.20 -0.33 0.00 2.07 -1.12 -1.51 116.25 117.38 1wn0 h VAL 119 Ca 0.13 -0.51 -0.12 0.00 0.82 0.00 0.00 66.70 67.01 1wn0 h VAL 119 Cb 0.65 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1wn0 h VAL 119 CO 0.05 0.22 -0.29 1.62 0.02 0.00 0.00 177.57 179.19 1wn0 h VAL 120 N 0.88 1.28 -0.22 2.57 3.04 -0.92 -1.76 116.25 121.12 1wn0 h VAL 120 Ca 0.23 -1.41 0.03 0.00 -1.01 0.00 0.00 66.70 64.53 1wn0 h VAL 120 Cb 0.04 1.33 -0.03 0.00 -2.01 0.00 0.00 31.29 30.63 1wn0 h VAL 120 CO -0.04 0.46 0.04 -0.09 -1.01 0.00 0.00 177.57 176.94 1wn0 h ARG 121 N 0.60 0.13 -0.32 4.17 2.43 -1.13 0.19 114.38 120.45 1wn0 h ARG 121 Ca 0.07 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1wn0 h ARG 121 Cb 0.79 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1wn0 h ARG 121 CO 0.07 0.08 0.17 -0.91 -1.51 0.00 0.00 179.97 177.87 1wn0 h ASN 122 N 0.13 0.40 -0.78 -3.80 2.35 -0.92 -0.59 115.58 112.37 1wn0 h ASN 122 Ca 0.10 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1wn0 h ASN 122 Cb 0.10 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 1wn0 h ASN 122 CO -0.13 0.37 0.31 -0.33 -1.65 0.00 0.00 177.43 176.00 1wn0 h GLU 123 N 0.39 1.17 0.43 0.81 5.08 -1.13 -2.02 114.58 119.31 1wn0 h GLU 123 Ca 0.11 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1wn0 h GLU 123 Cb 0.07 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1wn0 h GLU 123 CO -0.02 0.95 -0.20 0.35 -1.00 0.00 0.00 179.01 179.09 1wn0 h PHE 124 N 1.14 -0.53 -0.60 4.33 3.57 -0.26 -2.43 116.94 122.16 1wn0 h PHE 124 Ca 0.26 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.87 1wn0 h PHE 124 Cb 0.22 0.18 -0.10 0.00 2.79 0.00 0.00 35.95 39.03 1wn0 h PHE 124 CO 0.02 -0.22 -0.01 1.88 -2.23 0.00 0.00 178.31 177.75 1wn0 h TYR 125 N -0.81 -0.06 -0.08 0.41 0.05 -1.05 0.63 116.97 116.06 1wn0 h TYR 125 Ca -0.06 0.05 0.03 0.00 0.05 0.00 0.00 58.73 58.80 1wn0 h TYR 125 Cb 0.55 0.12 -0.04 0.00 1.01 0.00 0.00 36.73 38.37 1wn0 h TYR 125 CO 0.00 -0.17 -0.15 0.22 -1.05 0.00 0.00 178.16 177.02 1wn0 h ASP 126 N 0.11 -0.44 -0.55 3.88 3.58 -1.32 -0.75 116.42 120.92 1wn0 h ASP 126 Ca 0.31 0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.78 1wn0 h ASP 126 Cb 0.50 0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.73 1wn0 h ASP 126 CO -0.52 -0.20 0.13 0.25 -2.88 0.00 0.00 179.24 176.02 1wn0 h LEU 127 N -0.21 0.83 -0.40 2.28 6.46 -0.89 -2.77 115.31 120.62 1wn0 h LEU 127 Ca 0.08 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1wn0 h LEU 127 Cb 0.31 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 1wn0 h LEU 127 CO -0.20 0.86 0.26 -0.09 -0.62 0.00 0.00 178.44 178.64 1wn0 h ARG 128 N 0.78 0.54 -0.45 1.25 2.43 0.68 -0.49 114.38 119.12 1wn0 h ARG 128 Ca 0.17 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1wn0 h ARG 128 Cb 0.35 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1wn0 h ARG 128 CO 0.00 0.38 0.27 -0.91 -1.51 0.00 0.00 179.97 178.21 1wn0 h ASN 129 N 0.54 0.53 0.27 -3.80 2.35 -1.00 1.00 115.58 115.47 1wn0 h ASN 129 Ca 0.15 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1wn0 h ASN 129 Cb -0.03 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1wn0 h ASN 129 CO -0.03 0.40 -0.13 0.11 -1.65 0.00 0.00 177.43 176.14 1wn0 h LYS 130 N 0.61 -0.35 -0.80 0.81 1.79 -1.04 -3.04 116.57 114.55 1wn0 h LYS 130 Ca 0.16 0.02 0.17 0.00 -2.18 0.00 0.00 60.65 58.82 1wn0 h LYS 130 Cb -0.03 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 30.65 1wn0 h LYS 130 CO -0.03 -0.10 0.54 0.74 -1.08 0.00 0.00 179.45 179.52 1wn0 h PHE 131 N -0.56 0.50 -0.04 -1.35 0.04 0.08 0.14 116.94 115.75 1wn0 h PHE 131 Ca -0.04 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1wn0 h PHE 131 Cb 0.41 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.41 1wn0 h PHE 131 CO -0.01 0.17 -0.06 1.96 -0.60 0.00 0.00 178.31 179.78 1wn0 h GLN 132 N 0.41 0.11 -0.64 1.51 4.20 -0.77 -0.99 115.11 118.94 1wn0 h GLN 132 Ca 0.40 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.97 1wn0 h GLN 132 Cb 0.96 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.72 1wn0 h GLN 132 CO -0.13 0.61 0.10 1.79 -0.67 0.00 0.00 178.83 180.52 1wn0 h THR 133 N -0.39 1.26 -0.21 -0.54 1.35 -1.17 -2.19 112.91 111.02 1wn0 h THR 133 Ca 0.00 -1.02 0.06 0.00 -0.55 0.00 0.00 66.41 64.91 1wn0 h THR 133 Cb 0.60 0.66 -0.07 0.00 -1.73 0.00 0.00 68.15 67.61 1wn0 h THR 133 CO 0.01 0.38 -0.28 -0.03 -0.25 0.00 0.00 175.52 175.35 1wn0 h MET 134 N 0.98 -0.30 0.00 4.72 1.85 -0.54 -0.42 114.93 121.22 1wn0 h MET 134 Ca 0.20 0.02 -0.05 0.00 -0.61 0.00 0.00 59.70 59.25 1wn0 h MET 134 Cb 0.43 0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.52 1wn0 h MET 134 CO 0.01 -0.20 -0.24 -0.07 -0.40 0.00 0.00 176.91 176.01 1wn0 h LEU 135 N -0.31 0.00 -0.03 3.39 3.38 -0.76 -1.95 115.31 119.02 1wn0 h LEU 135 Ca 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1wn0 h LEU 135 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1wn0 h LEU 135 CO -0.38 0.24 -0.23 1.56 0.09 0.00 0.00 178.44 179.72 1wn0 h GLN 136 N 0.00 0.21 0.00 1.13 4.20 -1.15 -3.33 115.11 116.16 1wn0 h GLN 136 Ca -0.00 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1wn0 h GLN 136 Cb 0.46 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1wn0 h GLN 136 CO 0.03 0.86 0.00 1.28 -0.67 0.00 0.00 178.83 180.33 1wn0 n LEU 137 N -4.53 0.00 0.00 1.46 4.77 -0.19 -5.11 117.00 113.40 1wn0 n LEU 137 Ca -0.09 0.79 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 1wn0 n LEU 137 Cb 0.46 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1wn0 n LEU 137 CO 0.39 -0.29 0.11 -0.62 -1.33 0.00 0.00 177.39 175.65