#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wn5 s LEU 3 N 0.00 4.12 0.89 2.45 1.43 -1.26 -4.92 118.68 121.40 1wn5 s LEU 3 Ca 0.00 0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 53.59 1wn5 s LEU 3 Cb 0.00 -3.41 0.13 0.00 0.03 0.00 0.00 46.19 42.94 1wn5 s LEU 3 CO 0.00 -0.13 1.14 -0.94 0.23 0.00 0.00 176.35 176.65 1wn5 s SER 4 N -3.12 3.68 0.22 2.29 1.04 -1.26 -4.82 113.70 111.73 1wn5 s SER 4 Ca 0.42 0.94 -0.09 0.00 0.48 0.00 0.00 55.95 57.71 1wn5 s SER 4 Cb -0.11 -1.51 0.22 0.00 0.10 0.00 0.00 66.02 64.72 1wn5 s SER 4 CO 0.29 -2.44 1.87 -0.61 0.98 0.00 0.00 173.24 173.33 1wn5 h GLN 5 N -1.42 0.98 -0.78 4.02 5.75 -1.99 -1.68 115.11 119.98 1wn5 h GLN 5 Ca -0.50 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 57.92 1wn5 h GLN 5 Cb 1.33 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 29.62 1wn5 h GLN 5 CO 0.63 0.65 0.39 0.93 -2.65 0.00 0.00 178.83 178.78 1wn5 h GLU 6 N 1.01 1.11 -0.59 1.69 3.07 -1.99 -1.72 114.58 117.15 1wn5 h GLU 6 Ca 0.31 -0.15 -0.10 0.00 -0.50 0.00 0.00 59.36 58.92 1wn5 h GLU 6 Cb -0.02 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.67 1wn5 h GLU 6 CO -0.10 0.85 -0.03 0.93 -1.40 0.00 0.00 179.01 179.25 1wn5 h GLU 7 N 1.09 1.06 -0.58 2.33 5.08 -1.79 -2.03 114.58 119.73 1wn5 h GLU 7 Ca 0.27 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1wn5 h GLU 7 Cb 0.09 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1wn5 h GLU 7 CO -0.04 1.05 0.10 0.77 -1.00 0.00 0.00 179.01 179.89 1wn5 h SER 8 N 0.95 0.87 -0.83 1.42 0.02 -1.09 -2.32 113.55 112.57 1wn5 h SER 8 Ca 0.16 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1wn5 h SER 8 Cb 0.59 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 1wn5 h SER 8 CO 0.04 0.88 0.41 0.74 -1.14 0.00 0.00 176.83 177.75 1wn5 h THR 9 N 0.87 1.26 -0.64 -2.27 2.02 -1.01 -1.82 112.91 111.32 1wn5 h THR 9 Ca 0.18 -0.71 0.05 0.00 0.77 0.00 0.00 66.41 66.70 1wn5 h THR 9 Cb 0.38 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 66.93 1wn5 h THR 9 CO 0.01 0.30 0.37 -0.07 0.37 0.00 0.00 175.52 176.50 1wn5 h LEU 10 N 1.18 0.57 -0.50 2.58 3.38 -0.83 0.14 115.31 121.84 1wn5 h LEU 10 Ca 0.29 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1wn5 h LEU 10 Cb 0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1wn5 h LEU 10 CO -0.04 0.38 0.27 0.40 0.09 0.00 0.00 178.44 179.55 1wn5 h ILE 11 N 0.70 1.17 -0.57 1.22 2.04 -1.10 -0.98 117.51 119.99 1wn5 h ILE 11 Ca 0.28 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1wn5 h ILE 11 Cb 0.12 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1wn5 h ILE 11 CO -0.15 0.19 0.27 -0.33 0.00 0.00 0.00 178.15 178.13 1wn5 h GLU 12 N 0.67 0.83 -0.41 2.37 5.08 -0.66 -0.87 114.58 121.59 1wn5 h GLU 12 Ca 0.18 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1wn5 h GLU 12 Cb 0.06 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1wn5 h GLU 12 CO -0.03 0.68 0.10 0.00 -1.00 0.00 0.00 179.01 178.77 1wn5 h ARG 13 N 0.78 0.65 -0.47 2.33 2.47 -0.47 -0.96 114.38 118.71 1wn5 h ARG 13 Ca 0.20 -0.15 -0.09 0.00 -1.26 0.00 0.00 59.98 58.67 1wn5 h ARG 13 Cb 0.13 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 1wn5 h ARG 13 CO -0.02 0.67 -0.07 0.00 0.56 0.00 0.00 179.97 181.10 1wn5 h ALA 14 N 0.95 0.64 -0.40 0.04 0.00 -1.08 -1.72 119.26 117.70 1wn5 h ALA 14 Ca 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1wn5 h ALA 14 Cb 0.31 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1wn5 h ALA 14 CO 0.00 0.51 0.21 1.15 0.00 0.00 0.00 179.25 181.12 1wn5 h THR 15 N 0.72 1.15 -0.88 0.00 2.02 -1.05 -2.07 112.91 112.80 1wn5 h THR 15 Ca 0.12 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 1wn5 h THR 15 Cb 0.61 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 1wn5 h THR 15 CO 0.04 0.16 0.47 0.00 0.37 0.00 0.00 175.52 176.56 1wn5 h ALA 16 N 1.07 1.17 0.38 6.16 0.00 -1.08 -1.39 119.26 125.56 1wn5 h ALA 16 Ca 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1wn5 h ALA 16 Cb 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1wn5 h ALA 16 CO -0.02 0.66 -0.18 1.15 0.00 0.00 0.00 179.25 180.86 1wn5 h THR 17 N 1.24 0.64 -0.40 0.00 2.02 -0.89 -1.40 112.91 114.11 1wn5 h THR 17 Ca 0.31 -0.11 -0.10 0.00 0.77 0.00 0.00 66.41 67.28 1wn5 h THR 17 Cb 0.05 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 1wn5 h THR 17 CO -0.05 0.02 -0.15 -0.29 0.37 0.00 0.00 175.52 175.42 1wn5 h ILE 18 N -0.56 1.26 0.00 3.11 6.09 -1.32 -2.63 117.51 123.46 1wn5 h ILE 18 Ca -0.05 -1.22 0.00 0.00 -1.37 0.00 0.00 64.86 62.22 1wn5 h ILE 18 Cb 0.42 1.12 0.00 0.00 0.47 0.00 0.00 36.82 38.83 1wn5 h ILE 18 CO 0.08 0.41 0.00 0.78 -3.07 0.00 0.00 178.15 176.36 1wn5 h ASN 19 N 0.67 0.00 1.12 2.19 2.35 -1.18 -3.11 115.58 117.61 1wn5 h ASN 19 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1wn5 h ASN 19 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1wn5 h ASN 19 CO 0.04 0.00 -0.25 -1.54 -1.65 0.00 0.00 177.43 174.03 1wn5 n SER 20 N -2.79 0.63 -4.79 5.81 3.41 -0.53 -4.90 113.62 110.46 1wn5 n SER 20 Ca 0.01 0.34 -0.22 0.00 -0.26 0.00 0.00 58.87 58.74 1wn5 n SER 20 Cb 0.28 -0.34 -0.05 0.00 -0.26 0.00 0.00 64.21 63.84 1wn5 n SER 20 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1wn5 s ILE 21 N -3.10 4.21 0.30 -1.33 -4.36 -1.18 -5.07 121.20 110.68 1wn5 s ILE 21 Ca 0.10 -1.51 -0.30 0.00 -0.26 0.00 0.00 60.65 58.68 1wn5 s ILE 21 Cb 0.14 -3.28 -0.12 0.00 1.25 0.00 0.00 42.46 40.45 1wn5 s ILE 21 CO 0.64 -0.35 1.47 -2.65 0.24 0.00 0.00 174.94 174.29 1wn5 n PRO 22 N -1.13 2.42 -1.68 0.37 -0.02 -1.26 -4.87 135.00 128.83 1wn5 n PRO 22 Ca -0.07 0.86 -0.45 0.00 -2.02 0.00 0.00 63.50 61.81 1wn5 n PRO 22 Cb 0.58 -2.56 -0.04 0.00 -0.02 0.00 0.00 33.50 31.47 1wn5 n PRO 22 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1wn5 n ILE 23 N 1.45 0.09 -3.81 4.25 5.41 -1.26 -4.96 119.36 120.53 1wn5 n ILE 23 Ca 0.07 -0.02 -0.12 0.00 1.00 0.00 0.00 62.75 63.68 1wn5 n ILE 23 Cb 0.36 -1.64 -0.09 0.00 -0.71 0.00 0.00 39.64 37.55 1wn5 n ILE 23 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1wn5 s SER 24 N 0.91 -0.08 0.14 4.38 0.15 -1.26 -5.03 113.70 112.93 1wn5 s SER 24 Ca 0.77 -0.12 0.24 0.00 0.70 0.00 0.00 55.95 57.55 1wn5 s SER 24 Cb -0.63 0.28 0.40 0.00 -1.71 0.00 0.00 66.02 64.36 1wn5 s SER 24 CO 0.38 -0.47 1.39 -0.33 1.20 0.00 0.00 173.24 175.41 1wn5 h GLU 25 N 3.82 0.00 0.03 5.44 5.08 -2.00 -3.33 114.58 123.62 1wn5 h GLU 25 Ca -0.31 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.74 1wn5 h GLU 25 Cb 1.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1wn5 h GLU 25 CO 0.42 0.00 -1.84 -0.25 -1.00 0.00 0.00 179.01 176.35 1wn5 n ASP 26 N -2.18 1.11 -3.80 1.42 10.43 -1.26 -4.66 116.55 117.62 1wn5 n ASP 26 Ca 0.03 0.33 -0.30 0.00 2.57 0.00 0.00 54.79 57.43 1wn5 n ASP 26 Cb 0.44 -0.17 -0.13 0.00 1.84 0.00 0.00 41.12 43.09 1wn5 n ASP 26 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1wn5 s TYR 27 N -2.58 2.40 0.00 1.24 4.12 -1.25 -1.20 117.35 120.08 1wn5 s TYR 27 Ca -0.10 -2.64 0.00 0.00 0.02 0.00 0.00 57.07 54.35 1wn5 s TYR 27 Cb 0.08 -2.20 0.00 0.00 -1.52 0.00 0.00 41.96 38.31 1wn5 s TYR 27 CO 0.81 -0.78 0.35 -1.13 0.02 0.00 0.00 175.55 174.82 1wn5 n SER 28 N 3.50 0.71 -3.93 2.29 3.41 -1.25 -4.03 113.62 114.31 1wn5 n SER 28 Ca 0.07 -0.87 -0.12 0.00 -0.26 0.00 0.00 58.87 57.69 1wn5 n SER 28 Cb 0.34 0.24 -0.13 0.00 -0.26 0.00 0.00 64.21 64.40 1wn5 n SER 28 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wn5 s VAL 29 N -0.24 0.18 0.22 -3.33 1.01 -1.26 -0.73 120.40 116.24 1wn5 s VAL 29 Ca 0.00 -0.35 0.11 0.00 0.00 0.00 0.00 61.98 61.74 1wn5 s VAL 29 Cb 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.13 1wn5 s VAL 29 CO 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 175.10 174.77 1wn5 s ALA 30 N -0.47 2.51 0.04 5.51 0.00 -0.32 -1.67 121.76 127.36 1wn5 s ALA 30 Ca -0.04 -1.70 -0.02 0.00 0.00 0.00 0.00 51.96 50.21 1wn5 s ALA 30 Cb -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 1wn5 s ALA 30 CO -0.00 0.35 0.01 0.45 0.00 0.00 0.00 175.76 176.56 1wn5 s SER 31 N -2.95 0.30 -0.01 0.00 0.15 -0.13 -0.22 113.70 110.85 1wn5 s SER 31 Ca 0.23 -0.67 -0.00 0.00 0.70 0.00 0.00 55.95 56.20 1wn5 s SER 31 Cb -0.06 0.17 0.01 0.00 -1.71 0.00 0.00 66.02 64.42 1wn5 s SER 31 CO 0.11 -0.46 0.02 0.00 1.20 0.00 0.00 173.24 174.10 1wn5 s ALA 32 N -2.61 -0.02 0.09 5.45 0.00 -0.80 -2.00 121.76 121.88 1wn5 s ALA 32 Ca -0.05 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.04 1wn5 s ALA 32 Cb -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1wn5 s ALA 32 CO -0.05 -0.02 -0.14 0.00 0.00 0.00 0.00 175.76 175.55 1wn5 s ALA 33 N 0.16 1.34 -0.12 0.00 0.00 -0.05 -1.74 121.76 121.35 1wn5 s ALA 33 Ca -0.01 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 50.79 1wn5 s ALA 33 Cb -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 1wn5 s ALA 33 CO -0.00 0.14 -0.09 -1.17 0.00 0.00 0.00 175.76 174.64 1wn5 s LEU 34 N -2.07 2.97 0.37 0.00 2.96 0.12 -1.34 118.68 121.68 1wn5 s LEU 34 Ca 0.03 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 1wn5 s LEU 34 Cb -0.08 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 1wn5 s LEU 34 CO 0.03 0.21 0.55 -0.94 -1.32 0.00 0.00 176.35 174.88 1wn5 s SER 35 N 0.08 6.08 0.58 3.68 1.04 -0.06 -0.31 113.70 124.80 1wn5 s SER 35 Ca -0.03 0.22 0.28 0.00 0.48 0.00 0.00 55.95 56.90 1wn5 s SER 35 Cb -0.14 -1.69 1.73 0.00 0.10 0.00 0.00 66.02 66.02 1wn5 s SER 35 CO 0.04 -0.43 2.20 0.77 0.98 0.00 0.00 173.24 176.80 1wn5 h SER 36 N 0.71 0.00 -0.12 7.02 4.64 -1.41 -0.57 113.55 123.82 1wn5 h SER 36 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1wn5 h SER 36 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1wn5 h SER 36 CO 0.58 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.64 1wn5 n ASP 37 N -3.90 1.09 0.00 4.97 3.85 -1.26 -4.91 116.55 116.38 1wn5 n ASP 37 Ca -0.02 -1.65 0.00 0.00 -0.71 0.00 0.00 54.79 52.41 1wn5 n ASP 37 Cb 0.15 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 39.84 1wn5 n ASP 37 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wn5 n GLY 38 N 0.99 0.74 3.84 6.12 0.00 -0.22 -5.07 105.19 111.59 1wn5 n GLY 38 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1wn5 n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wn5 s ARG 39 N -0.64 4.05 -0.06 1.61 0.52 -1.26 -4.81 118.95 118.36 1wn5 s ARG 39 Ca 0.00 0.79 0.04 0.00 -0.52 0.00 0.00 55.73 56.05 1wn5 s ARG 39 Cb 0.00 -2.35 -0.02 0.00 0.52 0.00 0.00 34.95 33.11 1wn5 s ARG 39 CO 0.00 0.08 -0.19 0.42 0.02 0.00 0.00 175.30 175.63 1wn5 s ILE 40 N -2.09 2.62 -0.01 1.52 1.01 -1.26 -0.88 121.20 122.11 1wn5 s ILE 40 Ca 0.56 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 60.41 1wn5 s ILE 40 Cb -0.10 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.35 1wn5 s ILE 40 CO 0.17 0.57 -0.19 -0.36 0.00 0.00 0.00 174.94 175.13 1wn5 s PHE 41 N -0.33 1.73 0.47 3.97 0.40 -0.45 -4.96 117.98 118.82 1wn5 s PHE 41 Ca 0.02 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.05 1wn5 s PHE 41 Cb -0.13 -1.11 -0.03 0.00 0.51 0.00 0.00 43.02 42.26 1wn5 s PHE 41 CO 0.02 -0.03 0.02 0.95 0.70 0.00 0.00 175.22 176.89 1wn5 s THR 42 N -0.46 1.24 0.00 0.64 -4.23 -1.26 -0.87 115.64 110.69 1wn5 s THR 42 Ca 0.07 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 1wn5 s THR 42 Cb -0.07 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1wn5 s THR 42 CO -0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1wn5 n GLY 43 N -1.14 0.94 3.32 3.99 0.00 -0.84 -4.58 105.19 106.87 1wn5 n GLY 43 Ca -0.14 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 1wn5 n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wn5 s VAL 44 N -2.00 1.39 0.83 1.61 -7.23 -1.26 -0.95 120.40 112.79 1wn5 s VAL 44 Ca 0.00 -2.11 -0.12 0.00 -1.81 0.00 0.00 61.98 57.94 1wn5 s VAL 44 Cb 0.00 -2.08 0.09 0.00 0.56 0.00 0.00 36.38 34.95 1wn5 s VAL 44 CO 0.00 -0.56 1.13 0.54 -0.31 0.00 0.00 175.10 175.89 1wn5 s ASN 45 N -3.28 4.22 -0.31 4.85 4.22 -0.67 -4.48 114.94 119.49 1wn5 s ASN 45 Ca 0.22 1.07 -0.00 0.00 -2.14 0.00 0.00 52.86 52.01 1wn5 s ASN 45 Cb 0.02 -1.72 0.10 0.00 1.28 0.00 0.00 41.25 40.94 1wn5 s ASN 45 CO 0.05 -2.11 0.10 -0.69 -2.04 0.00 0.00 177.10 172.41 1wn5 s VAL 46 N -3.29 1.00 0.16 3.54 1.01 -0.47 -4.41 120.40 117.94 1wn5 s VAL 46 Ca 0.62 -1.50 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 1wn5 s VAL 46 Cb -0.14 -1.76 -0.08 0.00 0.00 0.00 0.00 36.38 34.41 1wn5 s VAL 46 CO 0.53 -0.68 1.20 -0.47 0.00 0.00 0.00 175.10 175.68 1wn5 s TYR 47 N 1.53 3.43 -0.28 5.22 6.14 -0.34 -3.34 117.35 129.72 1wn5 s TYR 47 Ca 0.10 1.39 -0.23 0.00 0.64 0.00 0.00 57.07 58.97 1wn5 s TYR 47 Cb -0.18 -3.43 0.11 0.00 0.42 0.00 0.00 41.96 38.88 1wn5 s TYR 47 CO -0.23 -1.24 0.91 -1.58 0.64 0.00 0.00 175.55 174.05 1wn5 s HIS 48 N 0.21 -0.63 0.64 4.97 2.46 -1.26 -4.83 115.29 116.85 1wn5 s HIS 48 Ca 0.54 1.44 0.35 0.00 0.47 0.00 0.00 55.06 57.87 1wn5 s HIS 48 Cb -0.32 0.37 1.97 0.00 -0.13 0.00 0.00 32.58 34.47 1wn5 s HIS 48 CO 0.35 -0.30 2.18 0.27 -2.47 0.00 0.00 174.74 174.76 1wn5 h PHE 49 N 4.97 0.00 -0.04 3.88 -0.00 -1.96 0.11 116.94 123.90 1wn5 h PHE 49 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.68 1wn5 h PHE 49 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.13 1wn5 h PHE 49 CO 0.28 0.00 0.00 0.25 -0.00 0.00 0.00 178.31 178.84 1wn5 n THR 50 N -3.30 0.04 0.00 0.88 -2.24 -1.26 -4.85 114.28 103.55 1wn5 n THR 50 Ca -0.01 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1wn5 n THR 50 Cb 0.22 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1wn5 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wn5 n GLY 51 N 0.98 0.91 3.65 3.38 0.00 0.29 -5.06 105.19 109.35 1wn5 n GLY 51 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1wn5 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wn5 n GLY 52 N 0.00 0.23 3.73 -0.02 0.00 -0.70 -4.86 105.19 103.57 1wn5 n GLY 52 Ca 0.00 0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.93 1wn5 n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wn5 n PRO 53 N 0.60 1.96 -1.61 1.61 -0.04 -1.21 -4.58 135.00 131.72 1wn5 n PRO 53 Ca 0.07 0.70 -0.30 0.00 -0.04 0.00 0.00 63.50 63.93 1wn5 n PRO 53 Cb 0.35 -2.52 0.10 0.00 -0.04 0.00 0.00 33.50 31.39 1wn5 n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wn5 h ALA 55 N -1.17 1.56 -0.96 0.00 0.00 -1.82 -1.52 119.26 115.36 1wn5 h ALA 55 Ca -0.48 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.50 1wn5 h ALA 55 Cb 1.29 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1wn5 h ALA 55 CO 0.61 0.17 0.63 0.93 0.00 0.00 0.00 179.25 181.59 1wn5 h GLU 56 N 0.94 1.18 -0.16 0.00 3.07 -1.91 -0.75 114.58 116.96 1wn5 h GLU 56 Ca 0.51 -0.07 -0.16 0.00 -0.50 0.00 0.00 59.36 59.14 1wn5 h GLU 56 Cb 0.57 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 1wn5 h GLU 56 CO -0.28 0.78 -0.56 -0.07 -1.40 0.00 0.00 179.01 177.48 1wn5 h LEU 57 N 1.22 0.53 -0.85 1.33 3.38 -1.64 -0.88 115.31 118.39 1wn5 h LEU 57 Ca 0.38 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1wn5 h LEU 57 Cb -0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1wn5 h LEU 57 CO -0.11 0.98 0.07 0.58 0.09 0.00 0.00 178.44 180.04 1wn5 h VAL 58 N 0.36 1.25 -0.59 1.22 2.07 -1.06 -2.09 116.25 117.41 1wn5 h VAL 58 Ca 0.00 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 1wn5 h VAL 58 Cb 1.09 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1wn5 h VAL 58 CO 0.10 0.36 0.18 0.58 0.02 0.00 0.00 177.57 178.81 1wn5 h VAL 59 N 0.87 1.24 -0.77 2.57 2.07 -0.74 -1.20 116.25 120.29 1wn5 h VAL 59 Ca 0.17 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1wn5 h VAL 59 Cb 0.42 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1wn5 h VAL 59 CO 0.01 0.31 0.45 -0.07 0.02 0.00 0.00 177.57 178.29 1wn5 h LEU 60 N 0.84 0.93 -0.48 2.57 3.38 -0.70 0.48 115.31 122.32 1wn5 h LEU 60 Ca 0.19 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 1wn5 h LEU 60 Cb 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1wn5 h LEU 60 CO -0.00 0.72 -0.76 1.23 0.09 0.00 0.00 178.44 179.72 1wn5 h GLY 61 N 1.09 0.01 1.02 0.83 0.00 -1.13 -1.23 103.07 103.66 1wn5 h GLY 61 Ca 0.27 -0.02 -0.16 0.00 0.00 0.00 0.00 47.33 47.42 1wn5 h GLY 61 CO -0.05 0.02 -0.48 -0.84 0.00 0.00 0.00 176.54 175.19 1wn5 h THR 62 N 0.01 1.31 -0.32 4.70 2.02 -0.72 -1.14 112.91 118.77 1wn5 h THR 62 Ca -0.01 -1.70 -0.04 0.00 0.77 0.00 0.00 66.41 65.43 1wn5 h THR 62 Cb 1.34 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 1wn5 h THR 62 CO 0.10 0.54 0.06 0.00 0.37 0.00 0.00 175.52 176.58 1wn5 h ALA 63 N 0.61 0.43 -0.46 6.16 0.00 -0.89 -2.71 119.26 122.40 1wn5 h ALA 63 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1wn5 h ALA 63 Cb 1.09 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1wn5 h ALA 63 CO 0.11 0.12 0.19 0.00 0.00 0.00 0.00 179.25 179.66 1wn5 h ALA 64 N 0.89 1.47 0.00 0.00 0.00 -1.18 -0.89 119.26 119.55 1wn5 h ALA 64 Ca 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1wn5 h ALA 64 Cb 0.34 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1wn5 h ALA 64 CO 0.01 0.41 -0.08 0.00 0.00 0.00 0.00 179.25 179.59 1wn5 h ALA 65 N 1.56 1.13 -0.58 0.00 0.00 -0.90 -1.48 119.26 118.99 1wn5 h ALA 65 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1wn5 h ALA 65 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1wn5 h ALA 65 CO -0.02 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1wn5 n ALA 66 N -2.19 2.59 -3.86 0.00 0.00 -0.47 -4.96 120.51 111.63 1wn5 n ALA 66 Ca -0.01 -1.43 -0.25 0.00 0.00 0.00 0.00 53.44 51.75 1wn5 n ALA 66 Cb 0.25 -0.81 0.01 0.00 0.00 0.00 0.00 19.45 18.89 1wn5 n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wn5 n ALA 67 N 1.05 -1.87 0.25 0.00 0.00 -0.56 -4.86 120.51 114.51 1wn5 n ALA 67 Ca 0.22 -0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.63 1wn5 n ALA 67 Cb 0.68 -2.17 0.57 0.00 0.00 0.00 0.00 19.45 18.53 1wn5 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wn5 h ALA 68 N 0.87 1.04 -0.24 0.00 0.00 -1.45 -3.49 119.26 115.98 1wn5 h ALA 68 Ca -0.61 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1wn5 h ALA 68 Cb 1.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1wn5 h ALA 68 CO 0.62 0.16 0.00 0.41 0.00 0.00 0.00 179.25 180.43 1wn5 n GLY 69 N 0.03 0.74 3.73 0.00 0.00 -1.26 -4.57 105.19 103.86 1wn5 n GLY 69 Ca 0.00 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 1wn5 n GLY 69 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wn5 s ASN 70 N -4.00 6.84 -0.14 1.61 0.02 -1.26 -4.94 114.94 113.07 1wn5 s ASN 70 Ca 0.00 2.43 -0.07 0.00 -1.02 0.00 0.00 52.86 54.20 1wn5 s ASN 70 Cb 0.00 -2.61 -0.04 0.00 0.02 0.00 0.00 41.25 38.62 1wn5 s ASN 70 CO 0.00 -0.58 0.10 -0.76 0.02 0.00 0.00 177.10 175.88 1wn5 s LEU 71 N 0.08 4.12 -0.08 0.60 1.43 -1.26 -1.22 118.68 122.34 1wn5 s LEU 71 Ca 0.59 0.30 0.19 0.00 -1.03 0.00 0.00 54.13 54.17 1wn5 s LEU 71 Cb -0.37 -2.01 -0.28 0.00 0.03 0.00 0.00 46.19 43.55 1wn5 s LEU 71 CO 0.37 0.32 0.31 0.35 0.23 0.00 0.00 176.35 177.94 1wn5 n THR 72 N 2.59 0.43 -3.65 5.49 -2.24 0.58 -4.04 114.28 113.43 1wn5 n THR 72 Ca -0.18 -0.57 -0.15 0.00 -2.27 0.00 0.00 64.05 60.87 1wn5 n THR 72 Cb 0.54 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.55 1wn5 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wn5 s ILE 74 N -1.16 0.10 0.05 0.00 2.07 -0.43 -0.70 121.20 121.12 1wn5 s ILE 74 Ca -0.12 -0.84 -0.17 0.00 -1.41 0.00 0.00 60.65 58.12 1wn5 s ILE 74 Cb -0.03 -1.01 0.03 0.00 0.13 0.00 0.00 42.46 41.59 1wn5 s ILE 74 CO 0.07 -0.46 0.38 0.54 -1.91 0.00 0.00 174.94 173.55 1wn5 s VAL 75 N -2.84 0.06 -0.02 4.00 0.11 -0.71 -1.11 120.40 119.89 1wn5 s VAL 75 Ca -0.03 -0.53 0.05 0.00 -2.93 0.00 0.00 61.98 58.53 1wn5 s VAL 75 Cb 0.00 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 33.89 1wn5 s VAL 75 CO -0.05 -0.29 -0.16 0.00 -3.33 0.00 0.00 175.10 171.26 1wn5 s ALA 76 N -2.53 1.39 -0.08 1.54 0.00 -1.26 -1.90 121.76 118.92 1wn5 s ALA 76 Ca -0.05 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1wn5 s ALA 76 Cb -0.01 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.73 1wn5 s ALA 76 CO -0.03 0.31 -0.13 0.42 0.00 0.00 0.00 175.76 176.33 1wn5 s ILE 77 N -0.23 1.25 0.47 0.00 -1.09 0.69 -1.33 121.20 120.96 1wn5 s ILE 77 Ca 0.03 -0.53 -0.11 0.00 -2.23 0.00 0.00 60.65 57.82 1wn5 s ILE 77 Cb -0.08 -1.15 -0.06 0.00 -1.58 0.00 0.00 42.46 39.59 1wn5 s ILE 77 CO 0.00 0.39 0.85 -0.83 -1.23 0.00 0.00 174.94 174.12 1wn5 s GLY 78 N 0.81 1.85 1.19 6.18 0.00 -0.56 -1.17 107.32 115.62 1wn5 s GLY 78 Ca -0.11 -0.17 -0.20 0.00 0.00 0.00 0.00 44.72 44.24 1wn5 s GLY 78 CO 0.02 0.04 1.14 0.54 0.00 0.00 0.00 173.10 174.84 1wn5 s ASN 79 N -3.44 1.03 -1.51 1.64 4.22 0.09 -3.31 114.94 113.66 1wn5 s ASN 79 Ca 0.52 0.52 -0.12 0.00 -2.14 0.00 0.00 52.86 51.65 1wn5 s ASN 79 Cb -0.10 -0.69 0.08 0.00 1.28 0.00 0.00 41.25 41.81 1wn5 s ASN 79 CO 0.37 -4.04 0.92 -0.62 -2.04 0.00 0.00 177.10 171.68 1wn5 n GLU 80 N -4.69 -5.26 -3.31 3.55 1.02 -1.26 -2.17 120.64 108.51 1wn5 n GLU 80 Ca 0.14 0.58 -0.24 0.00 -0.02 0.00 0.00 57.16 57.63 1wn5 n GLU 80 Cb 0.60 -5.40 0.01 0.00 -0.02 0.00 0.00 31.44 26.63 1wn5 n GLU 80 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wn5 n ASN 81 N -2.86 -4.67 0.12 1.62 3.02 -1.26 -4.87 115.26 106.38 1wn5 n ASN 81 Ca -0.01 -0.40 0.13 0.00 -0.03 0.00 0.00 54.58 54.27 1wn5 n ASN 81 Cb 0.55 -3.80 0.40 0.00 -0.61 0.00 0.00 39.78 36.32 1wn5 n ASN 81 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1wn5 h ARG 82 N -1.25 0.00 0.00 3.52 3.08 -1.43 -3.50 114.38 114.80 1wn5 h ARG 82 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1wn5 h ARG 82 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1wn5 h ARG 82 CO 0.56 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.87 1wn5 n GLY 83 N 1.07 -0.50 3.73 0.04 0.00 -1.26 -4.78 105.19 103.51 1wn5 n GLY 83 Ca 0.05 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 1wn5 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wn5 s ILE 84 N 0.00 2.34 -0.08 -0.61 1.01 -1.26 -1.50 121.20 121.10 1wn5 s ILE 84 Ca 0.00 0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.95 1wn5 s ILE 84 Cb 0.00 -3.17 0.01 0.00 0.01 0.00 0.00 42.46 39.30 1wn5 s ILE 84 CO 0.00 0.03 -0.19 -0.76 0.00 0.00 0.00 174.94 174.03 1wn5 s LEU 85 N 0.28 1.89 0.44 2.97 1.43 -0.44 -4.90 118.68 120.35 1wn5 s LEU 85 Ca 0.66 -0.44 -0.24 0.00 -1.03 0.00 0.00 54.13 53.08 1wn5 s LEU 85 Cb -0.46 -1.14 -0.08 0.00 0.03 0.00 0.00 46.19 44.54 1wn5 s LEU 85 CO 0.39 0.11 1.24 -0.44 0.23 0.00 0.00 176.35 177.88 1wn5 s SER 86 N 0.45 6.20 0.47 2.29 0.01 -1.26 -4.15 113.70 117.71 1wn5 s SER 86 Ca -0.16 2.49 -0.24 0.00 1.31 0.00 0.00 55.95 59.35 1wn5 s SER 86 Cb -0.17 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.37 1wn5 s SER 86 CO 0.06 -0.91 1.38 -2.16 0.41 0.00 0.00 173.24 172.03 1wn5 s PRO 87 N -2.46 3.58 0.94 12.44 0.04 -1.26 -4.98 135.00 143.31 1wn5 s PRO 87 Ca 0.60 2.31 -0.12 0.00 0.04 0.00 0.00 61.00 63.83 1wn5 s PRO 87 Cb -0.34 -2.55 0.16 0.00 0.04 0.00 0.00 34.50 31.81 1wn5 s PRO 87 CO 0.42 -0.87 1.11 0.00 0.04 0.00 0.00 177.00 177.71 1wn5 h GLY 89 N -1.66 1.32 0.96 0.00 0.00 -1.97 -1.17 103.07 100.54 1wn5 h GLY 89 Ca -0.52 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 46.48 1wn5 h GLY 89 CO 0.59 0.03 0.08 -0.09 0.00 0.00 0.00 176.54 177.16 1wn5 h ARG 90 N 0.69 0.74 -0.63 4.80 2.43 -2.00 -2.25 114.38 118.16 1wn5 h ARG 90 Ca 0.43 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1wn5 h ARG 90 Cb 0.53 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1wn5 h ARG 90 CO -0.31 0.75 0.24 0.00 -1.51 0.00 0.00 179.97 179.14 1wn5 h ARG 92 N 0.91 1.21 -0.19 0.00 3.08 -0.97 0.18 114.38 118.60 1wn5 h ARG 92 Ca 0.21 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1wn5 h ARG 92 Cb 0.20 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1wn5 h ARG 92 CO -0.02 0.85 0.01 0.37 -1.07 0.00 0.00 179.97 180.11 1wn5 h GLN 93 N 1.22 0.33 -0.37 0.04 5.75 -0.87 0.32 115.11 121.53 1wn5 h GLN 93 Ca 0.32 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.69 1wn5 h GLN 93 Cb -0.05 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 1wn5 h GLN 93 CO -0.06 0.53 0.14 0.28 -2.65 0.00 0.00 178.83 177.07 1wn5 h VAL 94 N 0.09 1.20 -0.82 2.39 2.07 -1.04 -0.84 116.25 119.30 1wn5 h VAL 94 Ca 0.05 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1wn5 h VAL 94 Cb 0.38 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1wn5 h VAL 94 CO 0.01 0.22 0.50 -0.07 0.02 0.00 0.00 177.57 178.25 1wn5 h LEU 95 N 0.46 0.98 -0.37 2.57 3.38 -0.58 0.11 115.31 121.86 1wn5 h LEU 95 Ca 0.12 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1wn5 h LEU 95 Cb 0.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1wn5 h LEU 95 CO -0.01 0.75 0.13 0.25 0.09 0.00 0.00 178.44 179.66 1wn5 h LEU 96 N 1.13 0.52 -0.56 1.67 5.85 -0.63 0.17 115.31 123.45 1wn5 h LEU 96 Ca 0.30 -0.18 -0.16 0.00 0.84 0.00 0.00 57.88 58.68 1wn5 h LEU 96 Cb -0.05 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1wn5 h LEU 96 CO -0.06 0.56 -0.67 0.44 -0.34 0.00 0.00 178.44 178.37 1wn5 h ASP 97 N 0.45 0.25 0.01 1.25 3.32 -0.78 -2.99 116.42 117.93 1wn5 h ASP 97 Ca 0.12 -0.16 -0.25 0.00 0.02 0.00 0.00 57.03 56.76 1wn5 h ASP 97 Cb 0.21 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 1wn5 h ASP 97 CO -0.01 0.85 -2.25 0.18 -1.72 0.00 0.00 179.24 176.30 1wn5 n LEU 98 N -3.81 0.02 -3.19 1.55 4.77 0.36 -4.70 117.00 112.00 1wn5 n LEU 98 Ca -0.03 0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.74 1wn5 n LEU 98 Cb 0.66 0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 42.03 1wn5 n LEU 98 CO 0.45 0.33 -0.27 1.41 -1.33 0.00 0.00 177.39 177.98 1wn5 n HIS 99 N -2.60 -0.17 0.20 -1.77 8.25 0.60 -4.98 115.22 114.74 1wn5 n HIS 99 Ca -0.23 -3.65 0.18 0.00 -0.26 0.00 0.00 57.72 53.75 1wn5 n HIS 99 Cb 0.97 -0.38 0.78 0.00 1.12 0.00 0.00 29.99 32.48 1wn5 n HIS 99 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1wn5 h PRO 100 N 3.64 0.00 -0.48 -0.41 0.13 -1.51 -0.84 132.00 132.54 1wn5 h PRO 100 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1wn5 h PRO 100 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1wn5 h PRO 100 CO 0.47 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.65 1wn5 n GLY 101 N -1.38 1.52 3.85 1.56 0.00 -1.26 -4.73 105.19 104.76 1wn5 n GLY 101 Ca 0.03 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 1wn5 n GLY 101 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wn5 s ILE 102 N -1.37 4.60 0.16 -0.61 2.07 -0.32 -4.85 121.20 120.88 1wn5 s ILE 102 Ca 0.38 1.08 0.10 0.00 -1.41 0.00 0.00 60.65 60.80 1wn5 s ILE 102 Cb 0.20 -3.76 -0.04 0.00 0.13 0.00 0.00 42.46 38.99 1wn5 s ILE 102 CO 0.28 -0.80 -0.21 -0.54 -1.91 0.00 0.00 174.94 171.76 1wn5 s LYS 103 N -4.35 1.64 -0.03 3.50 1.02 -0.47 -1.81 119.74 119.24 1wn5 s LYS 103 Ca 0.57 -1.38 0.06 0.00 0.02 0.00 0.00 55.97 55.25 1wn5 s LYS 103 Cb -0.10 -1.96 -0.01 0.00 -0.52 0.00 0.00 37.83 35.23 1wn5 s LYS 103 CO 0.37 0.43 -0.23 0.00 -0.92 0.00 0.00 175.35 175.01 1wn5 s ALA 104 N -1.45 1.91 -0.18 5.17 0.00 0.41 -1.31 121.76 126.29 1wn5 s ALA 104 Ca 0.20 -0.96 -0.24 0.00 0.00 0.00 0.00 51.96 50.96 1wn5 s ALA 104 Cb -0.09 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 1wn5 s ALA 104 CO 0.10 0.43 0.76 0.42 0.00 0.00 0.00 175.76 177.47 1wn5 s ILE 105 N -0.38 4.93 0.25 0.00 1.01 -0.27 -1.06 121.20 125.67 1wn5 s ILE 105 Ca 0.04 1.47 0.01 0.00 0.00 0.00 0.00 60.65 62.17 1wn5 s ILE 105 Cb -0.10 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 1wn5 s ILE 105 CO 0.01 0.05 0.11 0.68 0.00 0.00 0.00 174.94 175.79 1wn5 s VAL 106 N 2.11 0.37 -0.12 2.92 -7.23 -0.18 -4.67 120.40 113.60 1wn5 s VAL 106 Ca 0.35 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.35 1wn5 s VAL 106 Cb -0.16 -2.59 -0.05 0.00 0.56 0.00 0.00 36.38 34.15 1wn5 s VAL 106 CO 0.11 0.00 0.40 -0.54 -0.31 0.00 0.00 175.10 174.77 1wn5 s LYS 107 N -4.05 4.25 0.89 4.82 1.02 -1.26 -0.33 119.74 125.09 1wn5 s LYS 107 Ca 0.38 0.32 -0.12 0.00 0.02 0.00 0.00 55.97 56.57 1wn5 s LYS 107 Cb 0.07 -3.40 0.17 0.00 -0.52 0.00 0.00 37.83 34.15 1wn5 s LYS 107 CO 0.14 0.26 1.23 0.16 -0.92 0.00 0.00 175.35 176.22 1wn5 s ASP 108 N 0.34 3.55 0.21 2.83 3.84 0.09 -4.79 116.67 122.73 1wn5 s ASP 108 Ca 0.22 0.20 0.08 0.00 -0.00 0.00 0.00 52.55 53.05 1wn5 s ASP 108 Cb -0.15 -0.37 0.44 0.00 -1.38 0.00 0.00 42.92 41.46 1wn5 s ASP 108 CO 0.08 -2.44 1.10 -1.54 -0.00 0.00 0.00 175.17 172.37 1wn5 n SER 109 N -3.51 0.21 -0.83 2.11 3.41 -1.26 0.11 113.62 113.85 1wn5 n SER 109 Ca 0.14 0.45 0.08 0.00 -0.26 0.00 0.00 58.87 59.28 1wn5 n SER 109 Cb 0.60 -0.41 0.18 0.00 -0.26 0.00 0.00 64.21 64.32 1wn5 n SER 109 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1wn5 n ASP 110 N -1.77 3.06 0.00 4.04 8.00 -1.26 -4.95 116.55 123.67 1wn5 n ASP 110 Ca -0.01 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1wn5 n ASP 110 Cb 0.29 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1wn5 n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wn5 n GLY 111 N 0.92 0.48 3.83 0.44 0.00 0.30 -5.02 105.19 106.14 1wn5 n GLY 111 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1wn5 n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wn5 s GLN 112 N -0.20 3.82 0.31 1.61 -1.52 -1.25 -4.71 119.66 117.71 1wn5 s GLN 112 Ca 0.00 0.15 -0.29 0.00 -1.95 0.00 0.00 55.36 53.27 1wn5 s GLN 112 Cb 0.00 -3.25 -0.11 0.00 -0.22 0.00 0.00 33.01 29.43 1wn5 s GLN 112 CO 0.00 0.63 1.57 -2.14 -0.25 0.00 0.00 175.29 175.10 1wn5 s PRO 113 N -0.74 4.12 -0.15 2.91 0.02 -1.26 -0.73 135.00 139.17 1wn5 s PRO 113 Ca 0.19 2.58 -0.16 0.00 0.02 0.00 0.00 61.00 63.63 1wn5 s PRO 113 Cb -0.14 -3.01 0.04 0.00 0.02 0.00 0.00 34.50 31.41 1wn5 s PRO 113 CO 0.08 -0.61 0.44 -0.08 -0.33 0.00 0.00 177.00 176.50 1wn5 s THR 114 N -0.29 0.01 -0.18 0.99 -1.32 0.55 -4.59 115.64 110.81 1wn5 s THR 114 Ca 0.61 -0.05 -0.19 0.00 -1.21 0.00 0.00 61.69 60.84 1wn5 s THR 114 Cb -0.48 -0.64 -0.03 0.00 -1.51 0.00 0.00 72.50 69.84 1wn5 s THR 114 CO 0.52 -0.03 0.56 0.00 -2.21 0.00 0.00 174.62 173.46 1wn5 s ALA 115 N 0.01 3.52 0.02 11.08 0.00 -1.26 -1.01 121.76 134.12 1wn5 s ALA 115 Ca -0.02 -0.30 0.08 0.00 0.00 0.00 0.00 51.96 51.72 1wn5 s ALA 115 Cb -0.03 -2.85 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 1wn5 s ALA 115 CO 0.01 -0.40 -0.23 0.08 0.00 0.00 0.00 175.76 175.23 1wn5 s VAL 116 N 1.53 1.83 0.36 0.00 1.01 -0.23 -4.89 120.40 120.01 1wn5 s VAL 116 Ca 0.27 -1.16 -0.28 0.00 0.00 0.00 0.00 61.98 60.80 1wn5 s VAL 116 Cb -0.16 -1.56 -0.11 0.00 0.00 0.00 0.00 36.38 34.55 1wn5 s VAL 116 CO 0.10 0.36 1.47 -0.83 0.00 0.00 0.00 175.10 176.20 1wn5 s GLY 117 N -0.96 2.85 0.41 4.51 0.00 -1.26 -0.45 107.32 112.41 1wn5 s GLY 117 Ca 0.09 1.52 0.14 0.00 0.00 0.00 0.00 44.72 46.46 1wn5 s GLY 117 CO 0.01 2.24 1.91 1.19 0.00 0.00 0.00 173.10 178.44 1wn5 h ILE 118 N 3.05 0.81 0.00 0.90 6.09 -1.64 -0.54 117.51 126.17 1wn5 h ILE 118 Ca -0.50 -0.17 -0.02 0.00 -1.37 0.00 0.00 64.86 62.80 1wn5 h ILE 118 Cb 1.23 0.27 -0.00 0.00 0.47 0.00 0.00 36.82 38.79 1wn5 h ILE 118 CO 0.66 0.09 -0.10 0.03 -3.07 0.00 0.00 178.15 175.77 1wn5 h ARG 119 N 0.50 0.00 0.00 2.19 3.08 -1.86 -1.07 114.38 117.22 1wn5 h ARG 119 Ca 0.39 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.40 1wn5 h ARG 119 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1wn5 h ARG 119 CO -0.14 0.10 -0.20 0.93 -1.07 0.00 0.00 179.97 179.59 1wn5 h GLU 120 N 0.00 0.00 -0.00 0.04 5.08 -1.45 -2.24 114.58 116.00 1wn5 h GLU 120 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wn5 h GLU 120 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1wn5 h GLU 120 CO 0.01 0.20 -0.20 1.28 -1.00 0.00 0.00 179.01 179.30 1wn5 n LEU 121 N -3.57 0.57 -3.25 1.33 4.77 -0.41 -4.28 117.00 112.15 1wn5 n LEU 121 Ca -0.01 -0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.71 1wn5 n LEU 121 Cb 0.34 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 1wn5 n LEU 121 CO 0.32 0.11 -0.20 0.18 -1.33 0.00 0.00 177.39 176.48 1wn5 n LEU 122 N -1.03 1.16 -4.68 2.23 4.77 -0.84 -5.07 117.00 113.53 1wn5 n LEU 122 Ca 0.12 -4.90 -0.44 0.00 -0.03 0.00 0.00 56.01 50.75 1wn5 n LEU 122 Cb 0.31 0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.67 1wn5 n LEU 122 CO 0.27 2.07 0.98 -2.65 -1.33 0.00 0.00 177.39 176.73 1wn5 n PRO 123 N 1.22 2.10 -3.92 3.23 -0.02 -1.24 -1.36 135.00 135.01 1wn5 n PRO 123 Ca 0.24 0.74 -0.29 0.00 -2.02 0.00 0.00 63.50 62.17 1wn5 n PRO 123 Cb 0.50 -2.38 0.02 0.00 -0.02 0.00 0.00 33.50 31.62 1wn5 n PRO 123 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1wn5 n SER 124 N 1.65 -3.53 -4.76 2.55 7.64 -1.26 -4.87 113.62 111.04 1wn5 n SER 124 Ca 0.09 -0.84 -0.39 0.00 1.01 0.00 0.00 58.87 58.74 1wn5 n SER 124 Cb 0.33 -3.68 0.03 0.00 -1.01 0.00 0.00 64.21 59.88 1wn5 n SER 124 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wn5 s GLY 125 N -3.60 2.88 0.00 0.23 0.00 -0.47 -5.28 107.32 101.09 1wn5 s GLY 125 Ca 0.50 1.31 0.22 0.00 0.00 0.00 0.00 44.72 46.75 1wn5 s GLY 125 CO 0.85 1.84 1.71 2.98 0.00 0.00 0.00 173.10 180.48