#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wir s SER 2 N 0.00 1.67 -0.58 1.61 0.15 -1.26 -5.10 113.70 110.19 1wir s SER 2 Ca 0.00 -0.30 -0.17 0.00 0.70 0.00 0.00 55.95 56.18 1wir s SER 2 Cb 0.00 0.10 0.12 0.00 -1.71 0.00 0.00 66.02 64.54 1wir s SER 2 CO 0.00 -0.32 0.60 -0.55 1.20 0.00 0.00 173.24 174.17 1wir s SER 3 N 2.24 6.22 -0.43 5.45 0.15 -1.26 -4.92 113.70 121.15 1wir s SER 3 Ca 0.04 -1.69 -0.29 0.00 0.70 0.00 0.00 55.95 54.72 1wir s SER 3 Cb -0.15 -2.25 0.01 0.00 -1.71 0.00 0.00 66.02 61.92 1wir s SER 3 CO -0.10 -0.96 1.39 -0.83 1.20 0.00 0.00 173.24 173.94 1wir s GLY 4 N 3.56 1.10 -0.01 9.45 0.00 -1.26 -4.91 107.32 115.24 1wir s GLY 4 Ca 0.07 -0.23 -0.22 0.00 0.00 0.00 0.00 44.72 44.34 1wir s GLY 4 CO 0.04 2.74 0.96 1.76 0.00 0.00 0.00 173.10 178.60 1wir h SER 5 N 10.61 -0.56 -3.69 1.64 0.02 -1.96 -3.29 113.55 116.32 1wir h SER 5 Ca -0.27 -0.05 -0.24 0.00 -0.84 0.00 0.00 61.79 60.39 1wir h SER 5 Cb 1.10 0.15 -0.29 0.00 0.14 0.00 0.00 62.40 63.49 1wir h SER 5 CO 1.10 -0.16 -0.70 -0.94 -1.14 0.00 0.00 176.83 174.99 1wir s SER 6 N -4.81 -0.00 0.00 3.07 1.04 -1.26 -4.69 113.70 107.05 1wir s SER 6 Ca -0.12 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1wir s SER 6 Cb 0.01 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1wir s SER 6 CO 0.39 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.19 1wir n GLY 7 N 3.31 2.96 2.48 7.32 0.00 -1.26 -4.72 105.19 115.28 1wir n GLY 7 Ca -0.15 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 1wir n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wir n GLU 8 N 0.00 2.53 -2.21 1.61 0.28 -1.26 -5.08 120.64 116.51 1wir n GLU 8 Ca 0.00 -3.88 -0.42 0.00 -0.16 0.00 0.00 57.16 52.70 1wir n GLU 8 Cb 0.00 -1.87 -0.03 0.00 1.43 0.00 0.00 31.44 30.97 1wir n GLU 8 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1wir s PRO 9 N -3.53 4.34 -0.12 3.44 0.04 -1.24 -4.16 135.00 133.77 1wir s PRO 9 Ca 0.39 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.35 1wir s PRO 9 Cb 0.40 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.63 1wir s PRO 9 CO -0.04 -0.40 0.23 0.00 0.04 0.00 0.00 177.00 176.84 1wir s ALA 10 N 1.00 3.74 0.17 8.56 0.00 -1.26 -4.99 121.76 128.98 1wir s ALA 10 Ca 0.63 -0.52 0.08 0.00 0.00 0.00 0.00 51.96 52.15 1wir s ALA 10 Cb -0.36 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 1wir s ALA 10 CO 0.31 0.39 -0.07 -1.58 0.00 0.00 0.00 175.76 174.81 1wir s HIS 11 N -0.45 2.70 -1.06 0.00 2.46 -1.26 -4.98 115.29 112.69 1wir s HIS 11 Ca 0.16 -0.19 -0.02 0.00 0.47 0.00 0.00 55.06 55.48 1wir s HIS 11 Cb -0.13 -1.33 0.29 0.00 -0.13 0.00 0.00 32.58 31.28 1wir s HIS 11 CO 0.05 0.50 1.93 0.41 -2.47 0.00 0.00 174.74 175.16 1wir n GLY 12 N 0.08 5.97 2.10 1.59 0.00 -1.26 -4.97 105.19 108.70 1wir n GLY 12 Ca -0.11 -2.49 -0.16 0.00 0.00 0.00 0.00 46.02 43.26 1wir n GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1wir n ARG 13 N 0.20 1.12 -2.00 1.61 1.85 -1.26 -5.05 116.66 113.13 1wir n ARG 13 Ca 0.50 -1.97 -0.43 0.00 -1.00 0.00 0.00 57.85 54.95 1wir n ARG 13 Cb 0.26 0.31 -0.03 0.00 -1.05 0.00 0.00 32.46 31.95 1wir n ARG 13 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 1wir s GLN 14 N -3.19 3.30 0.08 2.89 -2.07 -1.26 -4.98 119.66 114.43 1wir s GLN 14 Ca 0.12 1.40 0.05 0.00 -1.82 0.00 0.00 55.36 55.11 1wir s GLN 14 Cb -0.01 -4.21 -0.04 0.00 -1.09 0.00 0.00 33.01 27.67 1wir s GLN 14 CO 0.08 -1.90 -0.05 -1.01 -1.32 0.00 0.00 175.29 171.09 1wir s HIS 15 N 7.00 2.88 -0.13 9.60 3.76 -1.26 -4.72 115.29 132.42 1wir s HIS 15 Ca 0.79 -0.08 0.01 0.00 -0.15 0.00 0.00 55.06 55.64 1wir s HIS 15 Cb -0.22 -1.51 0.02 0.00 1.11 0.00 0.00 32.58 31.97 1wir s HIS 15 CO 0.33 0.44 -0.17 -0.08 -0.85 0.00 0.00 174.74 174.41 1wir s THR 16 N -1.21 1.67 1.13 1.30 -1.32 0.32 -4.84 115.64 112.70 1wir s THR 16 Ca 0.22 -0.73 -0.17 0.00 -1.21 0.00 0.00 61.69 59.81 1wir s THR 16 Cb -0.11 -1.52 0.25 0.00 -1.51 0.00 0.00 72.50 69.61 1wir s THR 16 CO 0.14 0.48 1.10 -2.16 -2.21 0.00 0.00 174.62 171.97 1wir s PRO 17 N 1.11 -0.67 0.50 7.08 0.04 -1.26 -0.99 135.00 140.80 1wir s PRO 17 Ca -0.03 0.13 -0.04 0.00 0.04 0.00 0.00 61.00 61.10 1wir s PRO 17 Cb -0.14 -1.64 -0.02 0.00 0.04 0.00 0.00 34.50 32.73 1wir s PRO 17 CO -0.05 -3.39 0.79 0.00 0.04 0.00 0.00 177.00 174.39 1wir h LEU 19 N 0.17 0.65 0.06 0.00 -0.00 -1.92 -3.39 115.31 110.88 1wir h LEU 19 Ca -0.47 -0.81 -0.24 0.00 -0.00 0.00 0.00 57.88 56.36 1wir h LEU 19 Cb 1.22 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.65 1wir h LEU 19 CO 0.61 1.65 -1.30 -0.26 -0.00 0.00 0.00 178.44 179.14 1wir h PHE 20 N 0.11 0.22 -4.92 1.13 0.04 -1.90 -3.43 116.94 108.20 1wir h PHE 20 Ca -0.27 -0.16 -0.29 0.00 2.80 0.00 0.00 57.97 60.05 1wir h PHE 20 Cb 2.10 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 40.22 1wir h PHE 20 CO 0.10 1.51 -0.14 0.00 -0.60 0.00 0.00 178.31 179.18 1wir n ASP 22 N -1.90 6.18 -4.60 0.00 5.68 -1.26 -3.43 116.55 117.22 1wir n ASP 22 Ca -0.01 -3.78 -0.39 0.00 -0.50 0.00 0.00 54.79 50.11 1wir n ASP 22 Cb 0.31 -0.75 -0.09 0.00 -1.14 0.00 0.00 41.12 39.45 1wir n ASP 22 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1wir s ARG 23 N -3.80 3.97 0.11 0.11 0.52 -1.26 -4.80 118.95 113.81 1wir s ARG 23 Ca 0.51 -0.04 -0.28 0.00 -0.52 0.00 0.00 55.73 55.41 1wir s ARG 23 Cb 0.43 -3.67 -0.06 0.00 0.52 0.00 0.00 34.95 32.16 1wir s ARG 23 CO -0.25 -0.29 0.88 -0.51 0.02 0.00 0.00 175.30 175.15 1wir s LEU 24 N 2.03 4.51 0.34 2.53 1.43 -1.26 -1.23 118.68 127.03 1wir s LEU 24 Ca 0.14 1.69 0.04 0.00 -1.03 0.00 0.00 54.13 54.97 1wir s LEU 24 Cb -0.16 -3.45 -0.06 0.00 0.03 0.00 0.00 46.19 42.55 1wir s LEU 24 CO 0.10 0.02 0.06 -0.36 0.23 0.00 0.00 176.35 176.40 1wir s PHE 25 N -0.29 2.02 -0.14 0.29 0.40 -0.16 -4.91 117.98 115.19 1wir s PHE 25 Ca 0.42 -0.94 -0.17 0.00 -0.60 0.00 0.00 56.93 55.64 1wir s PHE 25 Cb -0.23 -1.34 -0.25 0.00 0.51 0.00 0.00 43.02 41.72 1wir s PHE 25 CO 0.28 0.05 0.45 0.00 0.70 0.00 0.00 175.22 176.70 1wir h ALA 26 N 2.06 0.22 -2.16 5.36 0.00 -1.84 0.93 119.26 123.83 1wir h ALA 26 Ca -0.41 -1.12 -0.48 0.00 0.00 0.00 0.00 54.91 52.90 1wir h ALA 26 Cb 1.25 0.55 -0.14 0.00 0.00 0.00 0.00 17.79 19.44 1wir h ALA 26 CO 0.70 0.80 -0.71 -1.12 0.00 0.00 0.00 179.25 178.92 1wir s SER 27 N -6.93 2.72 0.11 0.00 0.01 -1.26 -4.61 113.70 103.75 1wir s SER 27 Ca -0.23 -1.09 -0.20 0.00 1.31 0.00 0.00 55.95 55.74 1wir s SER 27 Cb 0.05 -0.16 -0.08 0.00 0.21 0.00 0.00 66.02 66.03 1wir s SER 27 CO 0.71 -0.23 1.75 0.00 0.41 0.00 0.00 173.24 175.89 1wir h ALA 28 N 2.42 0.22 -0.62 1.44 0.00 -1.93 -2.82 119.26 117.97 1wir h ALA 28 Ca -0.39 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.62 1wir h ALA 28 Cb 1.23 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 1wir h ALA 28 CO 0.64 -0.29 0.10 0.93 0.00 0.00 0.00 179.25 180.63 1wir h GLU 29 N 0.22 0.21 -0.56 0.00 5.08 -1.97 -1.29 114.58 116.27 1wir h GLU 29 Ca 0.06 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.52 1wir h GLU 29 Cb -0.00 -0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.09 1wir h GLU 29 CO -0.01 0.14 -0.17 0.93 -1.00 0.00 0.00 179.01 178.89 1wir h GLU 30 N 0.22 -0.04 0.48 2.33 5.08 -1.92 -1.59 114.58 119.14 1wir h GLU 30 Ca 0.33 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1wir h GLU 30 Cb 0.51 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1wir h GLU 30 CO -0.45 -0.02 -0.24 1.15 -1.00 0.00 0.00 179.01 178.44 1wir h THR 31 N -0.04 0.00 -0.84 1.13 2.02 -1.22 -2.45 112.91 111.51 1wir h THR 31 Ca 0.27 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.54 1wir h THR 31 Cb 0.45 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.75 1wir h THR 31 CO -0.60 0.00 -0.45 0.49 0.37 0.00 0.00 175.52 175.33 1wir n PHE 32 N -3.80 -0.27 -0.28 3.16 3.72 -0.89 0.13 117.46 119.23 1wir n PHE 32 Ca -0.08 1.04 0.09 0.00 -0.05 0.00 0.00 57.45 58.45 1wir n PHE 32 Cb 0.26 -0.63 0.24 0.00 -0.94 0.00 0.00 39.48 38.41 1wir n PHE 32 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1wir h SER 33 N 0.00 0.32 -0.62 4.37 0.87 -1.28 0.36 113.55 117.58 1wir h SER 33 Ca 0.18 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 1wir h SER 33 Cb 0.38 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 1wir h SER 33 CO -0.80 0.08 0.30 -0.74 -0.53 0.00 0.00 176.83 175.14 1wir h HIS 34 N 0.45 0.88 0.00 2.24 -0.00 0.16 -1.66 115.15 117.23 1wir h HIS 34 Ca 0.48 -0.04 -0.11 0.00 -0.00 0.00 0.00 60.37 60.70 1wir h HIS 34 Cb 0.80 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.92 1wir h HIS 34 CO -0.15 0.66 -0.50 0.00 -0.00 0.00 0.00 177.93 177.94 1wir h LYS 36 N 0.00 0.00 0.02 0.00 1.57 0.12 1.03 116.57 119.31 1wir h LYS 36 Ca -0.01 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1wir h LYS 36 Cb 0.94 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.20 1wir h LYS 36 CO 0.07 0.13 -1.94 1.28 -0.57 0.00 0.00 179.45 178.42 1wir n LEU 37 N -3.20 2.14 -0.02 2.94 4.77 -0.67 -3.67 117.00 119.29 1wir n LEU 37 Ca 0.02 0.30 -0.01 0.00 -0.03 0.00 0.00 56.01 56.29 1wir n LEU 37 Cb 0.46 -0.94 -0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1wir n LEU 37 CO 0.33 0.54 -0.05 -0.33 -1.33 0.00 0.00 177.39 176.54 1wir h GLU 38 N -0.73 0.00 0.00 3.23 4.39 -1.07 -3.36 114.58 117.05 1wir h GLU 38 Ca -0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.19 1wir h GLU 38 Cb 1.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.24 1wir h GLU 38 CO -0.22 0.00 0.00 0.72 -1.16 0.00 0.00 179.01 178.35 1wir n HIS 39 N -2.83 0.00 -3.41 4.33 8.25 -0.26 -4.83 115.22 116.47 1wir n HIS 39 Ca -0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.26 1wir n HIS 39 Cb 0.04 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.11 1wir n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wir n GLN 40 N -0.91 -1.97 -4.52 -0.41 10.64 0.33 -4.85 117.38 115.70 1wir n GLN 40 Ca 0.12 0.06 -0.33 0.00 -1.83 0.00 0.00 57.00 55.02 1wir n GLN 40 Cb 0.06 -4.58 -0.15 0.00 -0.86 0.00 0.00 30.24 24.71 1wir n GLN 40 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 1wir s PHE 41 N -2.55 2.83 -0.15 2.61 2.19 0.20 -4.88 117.98 118.24 1wir s PHE 41 Ca 0.38 -0.83 -0.06 0.00 0.33 0.00 0.00 56.93 56.74 1wir s PHE 41 Cb -0.22 -1.91 -0.04 0.00 -1.31 0.00 0.00 43.02 39.54 1wir s PHE 41 CO 0.46 -0.36 0.07 -0.80 1.83 0.00 0.00 175.22 176.42 1wir s ASN 42 N 0.71 5.79 -0.05 6.13 -0.87 -1.26 -3.00 114.94 122.40 1wir s ASN 42 Ca -0.06 0.20 -0.20 0.00 -1.57 0.00 0.00 52.86 51.24 1wir s ASN 42 Cb -0.15 -1.90 -0.31 0.00 -0.02 0.00 0.00 41.25 38.86 1wir s ASN 42 CO 0.02 0.27 0.84 -0.29 -2.57 0.00 0.00 177.10 175.37 1wir h ILE 43 N 4.49 1.37 -0.56 0.60 6.09 -1.99 -3.32 117.51 124.20 1wir h ILE 43 Ca -0.44 -2.54 0.11 0.00 -1.37 0.00 0.00 64.86 60.62 1wir h ILE 43 Cb 1.19 3.08 -0.11 0.00 0.47 0.00 0.00 36.82 41.44 1wir h ILE 43 CO 0.65 0.73 -0.18 -0.78 -3.07 0.00 0.00 178.15 175.50 1wir h ASP 44 N -0.26 -0.65 0.06 2.19 3.58 -2.00 -1.72 116.42 117.61 1wir h ASP 44 Ca -0.20 0.18 0.02 0.00 0.42 0.00 0.00 57.03 57.46 1wir h ASP 44 Cb 1.76 0.40 -0.05 0.00 1.72 0.00 0.00 39.33 43.16 1wir h ASP 44 CO 0.16 -0.22 -0.41 0.28 -2.88 0.00 0.00 179.24 176.17 1wir h SER 45 N -0.04 -1.22 -0.82 2.28 0.02 -2.01 -1.71 113.55 110.05 1wir h SER 45 Ca 0.27 0.14 0.20 0.00 -0.84 0.00 0.00 61.79 61.56 1wir h SER 45 Cb 0.45 0.47 -0.13 0.00 0.14 0.00 0.00 62.40 63.34 1wir h SER 45 CO -0.60 -0.47 0.20 0.24 -1.14 0.00 0.00 176.83 175.06 1wir h MET 46 N -0.60 0.23 -0.63 3.45 2.86 -1.44 0.27 114.93 119.07 1wir h MET 46 Ca 0.04 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.76 1wir h MET 46 Cb 0.66 -0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.19 1wir h MET 46 CO -0.27 0.15 0.23 0.28 1.06 0.00 0.00 176.91 178.36 1wir h VAL 47 N 0.24 0.74 -0.11 -2.22 2.07 -0.50 -1.52 116.25 114.96 1wir h VAL 47 Ca 0.49 -0.14 -0.11 0.00 0.82 0.00 0.00 66.70 67.75 1wir h VAL 47 Cb 0.91 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1wir h VAL 47 CO -0.59 0.07 -0.38 0.45 0.02 0.00 0.00 177.57 177.14 1wir h HIS 48 N 0.40 0.59 -0.07 1.57 3.86 -0.37 0.85 115.15 121.98 1wir h HIS 48 Ca 0.32 -0.24 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1wir h HIS 48 Cb 0.42 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 1wir h HIS 48 CO -0.17 0.99 -0.27 -0.22 0.86 0.00 0.00 177.93 179.12 1wir h LYS 49 N 0.03 -0.28 -0.75 2.45 3.11 -0.08 -1.39 116.57 119.67 1wir h LYS 49 Ca -0.02 0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1wir h LYS 49 Cb 1.01 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 32.30 1wir h LYS 49 CO 0.08 -0.18 0.00 0.72 -2.81 0.00 0.00 179.45 177.26 1wir n HIS 50 N -3.97 1.28 -4.16 1.91 8.25 -0.62 -4.92 115.22 112.99 1wir n HIS 50 Ca -0.03 -0.45 -0.32 0.00 -0.26 0.00 0.00 57.72 56.66 1wir n HIS 50 Cb 0.19 -0.36 -0.07 0.00 1.12 0.00 0.00 29.99 30.87 1wir n HIS 50 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wir n GLY 51 N 0.38 -0.26 3.63 -1.41 0.00 0.11 -4.76 105.19 102.88 1wir n GLY 51 Ca 0.17 0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 1wir n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wir s LEU 52 N -7.13 3.98 0.00 0.99 1.43 0.27 -4.96 118.68 113.26 1wir s LEU 52 Ca 0.11 2.09 -0.09 0.00 -1.03 0.00 0.00 54.13 55.20 1wir s LEU 52 Cb -0.06 -3.53 0.15 0.00 0.03 0.00 0.00 46.19 42.79 1wir s LEU 52 CO 0.92 -1.36 0.92 -0.62 0.23 0.00 0.00 176.35 176.44 1wir n GLU 53 N 7.89 -0.72 -0.32 1.70 1.02 -1.26 -4.24 120.64 124.71 1wir n GLU 53 Ca 0.22 -1.61 -0.05 0.00 -0.02 0.00 0.00 57.16 55.70 1wir n GLU 53 Cb 0.44 -0.88 -0.02 0.00 -0.02 0.00 0.00 31.44 30.95 1wir n GLU 53 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1wir n PHE 54 N -3.14 -0.16 0.10 -0.32 7.35 -1.26 -0.23 117.46 119.80 1wir n PHE 54 Ca 0.12 1.00 -0.23 0.00 -0.76 0.00 0.00 57.45 57.58 1wir n PHE 54 Cb 0.42 -0.69 -0.15 0.00 0.35 0.00 0.00 39.48 39.42 1wir n PHE 54 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 1wir h TYR 55 N 0.00 0.78 -0.70 -5.13 0.05 -1.98 -3.33 116.97 106.65 1wir h TYR 55 Ca 0.21 -0.57 0.14 0.00 0.05 0.00 0.00 58.73 58.56 1wir h TYR 55 Cb 0.41 -0.03 -0.13 0.00 1.01 0.00 0.00 36.73 37.98 1wir h TYR 55 CO -0.76 1.50 -0.20 0.78 -1.05 0.00 0.00 178.16 178.43 1wir h GLY 56 N 0.03 0.43 0.73 3.88 0.00 -1.31 0.22 103.07 107.05 1wir h GLY 56 Ca -0.24 0.26 0.07 0.00 0.00 0.00 0.00 47.33 47.43 1wir h GLY 56 CO 0.21 -0.26 0.64 -1.82 0.00 0.00 0.00 176.54 175.31 1wir h TYR 57 N -0.02 1.18 -1.00 5.60 5.03 -0.74 -1.54 116.97 125.48 1wir h TYR 57 Ca 0.33 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.71 1wir h TYR 57 Cb 0.52 -0.39 -0.06 0.00 1.55 0.00 0.00 36.73 38.36 1wir h TYR 57 CO -0.58 0.60 0.65 0.82 -1.32 0.00 0.00 178.16 178.33 1wir h ILE 58 N 1.14 1.16 -0.63 1.81 2.04 -0.70 -1.78 117.51 120.55 1wir h ILE 58 Ca 0.43 -0.43 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1wir h ILE 58 Cb 0.20 -0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 1wir h ILE 58 CO -0.18 0.23 0.18 0.11 0.00 0.00 0.00 178.15 178.49 1wir h LYS 59 N 1.25 0.96 -0.41 2.37 1.57 -0.67 -2.42 116.57 119.22 1wir h LYS 59 Ca 0.40 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1wir h LYS 59 Cb 0.03 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1wir h LYS 59 CO -0.13 0.83 0.24 1.25 -0.57 0.00 0.00 179.45 181.07 1wir h LEU 60 N 0.93 0.51 0.46 2.94 7.12 -1.03 0.03 115.31 126.26 1wir h LEU 60 Ca 0.20 -0.08 -0.02 0.00 0.13 0.00 0.00 57.88 58.12 1wir h LEU 60 Cb 0.28 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.29 1wir h LEU 60 CO -0.01 0.44 -0.22 0.40 -0.13 0.00 0.00 178.44 178.92 1wir h ILE 61 N 0.54 0.00 -0.85 4.05 1.08 -1.23 -2.96 117.51 118.15 1wir h ILE 61 Ca 0.15 -0.03 0.19 0.00 -0.39 0.00 0.00 64.86 64.78 1wir h ILE 61 Cb 0.03 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.67 1wir h ILE 61 CO -0.03 0.00 0.36 0.78 -0.69 0.00 0.00 178.15 178.58 1wir h ASN 62 N -0.64 0.32 -0.64 1.72 2.35 -1.48 -1.15 115.58 116.07 1wir h ASN 62 Ca -0.06 0.13 0.12 0.00 -0.55 0.00 0.00 56.30 55.94 1wir h ASN 62 Cb 0.47 0.11 -0.12 0.00 0.05 0.00 0.00 38.32 38.83 1wir h ASN 62 CO 0.10 0.06 -0.29 0.15 -1.65 0.00 0.00 177.43 175.80 1wir h PHE 63 N 0.44 -0.77 0.00 1.19 3.57 -0.91 1.17 116.94 121.62 1wir h PHE 63 Ca 0.50 0.07 0.00 0.00 3.53 0.00 0.00 57.97 62.07 1wir h PHE 63 Cb 0.87 0.44 0.00 0.00 2.79 0.00 0.00 35.95 40.05 1wir h PHE 63 CO -0.15 -0.36 0.00 0.82 -2.23 0.00 0.00 178.31 176.39 1wir h ILE 64 N -0.11 0.00 0.13 1.41 2.04 -1.05 -0.51 117.51 119.42 1wir h ILE 64 Ca 0.27 -0.22 -0.31 0.00 1.00 0.00 0.00 64.86 65.60 1wir h ILE 64 Cb 0.54 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1wir h ILE 64 CO -0.70 0.00 -1.49 0.03 0.00 0.00 0.00 178.15 175.98 1wir h ARG 65 N 0.00 0.28 0.00 2.37 2.47 0.15 -2.35 114.38 117.30 1wir h ARG 65 Ca 0.00 -0.48 -0.01 0.00 -1.26 0.00 0.00 59.98 58.23 1wir h ARG 65 Cb 0.27 0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1wir h ARG 65 CO 0.00 1.16 -0.14 1.25 0.56 0.00 0.00 179.97 182.80 1wir h LEU 66 N 0.08 0.00 0.15 3.04 6.46 -0.28 -3.39 115.31 121.36 1wir h LEU 66 Ca -0.23 -0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.35 1wir h LEU 66 Cb 2.02 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.96 1wir h LEU 66 CO 0.18 0.66 -0.07 0.11 -0.62 0.00 0.00 178.44 178.70 1wir h LYS 67 N -1.00 -0.19 -2.65 1.25 6.56 -1.31 -3.48 116.57 115.75 1wir h LYS 67 Ca -0.02 0.01 -0.10 0.00 -1.06 0.00 0.00 60.65 59.48 1wir h LYS 67 Cb 0.30 0.04 0.04 0.00 -0.57 0.00 0.00 32.23 32.04 1wir h LYS 67 CO -0.01 0.13 -0.20 -1.71 -2.06 0.00 0.00 179.45 175.60 1wir n ASN 68 N -5.03 -2.71 -3.07 0.86 2.85 -0.88 -5.05 115.26 102.23 1wir n ASN 68 Ca -0.09 -0.16 0.00 0.00 -0.11 0.00 0.00 54.58 54.22 1wir n ASN 68 Cb 0.22 -1.78 0.00 0.00 1.24 0.00 0.00 39.78 39.46 1wir n ASN 68 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1wir n PRO 69 N -1.82 0.10 -4.30 1.20 -0.04 -1.26 -5.06 135.00 123.83 1wir n PRO 69 Ca -0.03 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.23 1wir n PRO 69 Cb 0.53 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.88 1wir n PRO 69 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1wir s THR 70 N -0.44 1.62 0.18 0.52 -1.32 -1.26 -4.88 115.64 110.05 1wir s THR 70 Ca 0.00 -1.87 -0.20 0.00 -1.21 0.00 0.00 61.69 58.41 1wir s THR 70 Cb 0.00 -1.75 0.11 0.00 -1.51 0.00 0.00 72.50 69.35 1wir s THR 70 CO 0.00 -0.38 1.34 0.52 -2.21 0.00 0.00 174.62 173.89 1wir n VAL 71 N 0.32 -0.51 -0.09 5.08 0.31 -1.26 -0.07 118.33 122.10 1wir n VAL 71 Ca -0.13 2.06 -0.09 0.00 -0.01 0.00 0.00 64.34 66.16 1wir n VAL 71 Cb 0.57 -2.65 -0.03 0.00 -0.91 0.00 0.00 33.84 30.82 1wir n VAL 71 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1wir h GLU 72 N 0.00 -0.31 0.03 5.55 4.39 -1.96 -2.05 114.58 120.22 1wir h GLU 72 Ca 0.24 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.97 1wir h GLU 72 Cb 0.46 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1wir h GLU 72 CO -0.84 -0.21 -0.10 -0.92 -1.16 0.00 0.00 179.01 175.78 1wir h TYR 73 N -0.32 -0.25 -1.84 4.33 5.03 -0.89 -1.83 116.97 121.20 1wir h TYR 73 Ca 0.14 0.01 0.55 0.00 2.58 0.00 0.00 58.73 62.00 1wir h TYR 73 Cb 0.56 0.11 -0.09 0.00 1.55 0.00 0.00 36.73 38.86 1wir h TYR 73 CO -0.53 -0.15 1.31 -1.33 -1.32 0.00 0.00 178.16 176.14 1wir n MET 74 N -5.22 -0.01 0.13 1.82 2.81 0.70 0.22 117.12 117.57 1wir n MET 74 Ca -0.06 1.08 -0.24 0.00 -1.81 0.00 0.00 57.70 56.67 1wir n MET 74 Cb 0.14 -2.44 -0.16 0.00 -0.71 0.00 0.00 33.22 30.06 1wir n MET 74 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1wir h ASN 75 N 0.00 0.79 -0.87 7.83 2.35 -1.10 -3.28 115.58 121.30 1wir h ASN 75 Ca 0.91 -0.90 0.25 0.00 -0.55 0.00 0.00 56.30 56.01 1wir h ASN 75 Cb 3.55 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 41.63 1wir h ASN 75 CO -0.08 1.72 0.75 0.28 -1.65 0.00 0.00 177.43 178.45 1wir h SER 76 N 0.14 0.00 -2.34 5.81 0.02 0.28 -3.41 113.55 114.05 1wir h SER 76 Ca -0.27 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.10 1wir h SER 76 Cb 2.15 0.00 0.06 0.00 0.14 0.00 0.00 62.40 64.75 1wir h SER 76 CO 0.25 0.00 0.85 -0.38 -1.14 0.00 0.00 176.83 176.41 1wir n ILE 77 N -3.89 0.01 0.00 3.27 -0.00 -1.11 -4.86 119.36 112.78 1wir n ILE 77 Ca 0.18 -0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.93 1wir n ILE 77 Cb 1.05 -1.63 0.00 0.00 -0.00 0.00 0.00 39.64 39.05 1wir n ILE 77 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 1wir n TYR 78 N 3.59 0.00 -3.65 1.39 4.01 -1.26 -5.09 117.16 116.15 1wir n TYR 78 Ca 0.17 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.91 1wir n TYR 78 Cb 0.30 0.07 -0.07 0.00 -0.31 0.00 0.00 39.34 39.34 1wir n TYR 78 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1wir s ASN 79 N -0.02 -0.05 0.58 7.72 3.84 -1.26 -4.40 114.94 121.34 1wir s ASN 79 Ca 0.00 0.09 -0.18 0.00 0.21 0.00 0.00 52.86 52.98 1wir s ASN 79 Cb 0.00 0.56 -0.04 0.00 -0.55 0.00 0.00 41.25 41.22 1wir s ASN 79 CO 0.00 -0.02 1.12 -2.16 -2.79 0.00 0.00 177.10 173.26 1wir s PRO 80 N 0.54 3.18 0.28 0.43 0.04 -1.26 -5.11 135.00 133.09 1wir s PRO 80 Ca -0.00 1.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.28 1wir s PRO 80 Cb -0.04 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 1wir s PRO 80 CO -0.13 -0.97 1.21 0.14 0.04 0.00 0.00 177.00 177.29 1wir s VAL 81 N -1.96 3.16 -2.00 -0.36 -7.23 -1.26 -4.90 120.40 105.85 1wir s VAL 81 Ca 0.71 1.13 0.14 0.00 -1.81 0.00 0.00 61.98 62.14 1wir s VAL 81 Cb -0.23 -3.72 0.39 0.00 0.56 0.00 0.00 36.38 33.39 1wir s VAL 81 CO 0.32 0.25 1.25 -0.81 -0.31 0.00 0.00 175.10 175.79 1wir n PRO 82 N 1.32 0.49 -0.17 4.82 -0.04 -1.26 -2.03 135.00 138.12 1wir n PRO 82 Ca 0.01 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.56 1wir n PRO 82 Cb 0.43 -1.45 0.17 0.00 -0.04 0.00 0.00 33.50 32.61 1wir n PRO 82 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1wir n TRP 83 N -0.95 0.20 0.34 0.54 2.14 -1.26 -4.67 117.44 113.79 1wir n TRP 83 Ca 0.10 -1.00 -0.01 0.00 2.07 0.00 0.00 57.50 58.67 1wir n TRP 83 Cb 0.05 -0.19 0.11 0.00 -0.81 0.00 0.00 31.31 30.47 1wir n TRP 83 CO 0.00 0.00 0.00 -1.91 2.07 0.00 0.00 177.69 177.85 1wir n GLU 84 N -1.24 2.02 -4.12 -2.67 0.00 -0.86 -4.76 120.64 109.01 1wir n GLU 84 Ca 0.17 -1.02 -0.35 0.00 0.00 0.00 0.00 57.16 55.96 1wir n GLU 84 Cb 0.70 -1.64 -0.11 0.00 0.00 0.00 0.00 31.44 30.38 1wir n GLU 84 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1wir s LYS 85 N -1.43 3.79 0.26 5.31 -0.14 -1.26 -5.00 119.74 121.27 1wir s LYS 85 Ca 0.18 -0.44 -0.02 0.00 -1.36 0.00 0.00 55.97 54.33 1wir s LYS 85 Cb 0.14 -3.11 0.50 0.00 -1.68 0.00 0.00 37.83 33.68 1wir s LYS 85 CO 0.05 0.17 1.76 -0.44 -0.76 0.00 0.00 175.35 176.13 1wir h ASP 86 N 6.99 0.51 -1.14 2.83 5.19 -2.01 -0.91 116.42 127.88 1wir h ASP 86 Ca -0.35 0.09 0.43 0.00 -0.62 0.00 0.00 57.03 56.57 1wir h ASP 86 Cb 1.18 0.01 -0.16 0.00 0.18 0.00 0.00 39.33 40.53 1wir h ASP 86 CO 0.65 0.23 0.67 1.05 -3.12 0.00 0.00 179.24 178.72 1wir h GLU 87 N 0.62 0.05 -0.82 3.56 4.11 -1.97 1.42 114.58 121.55 1wir h GLU 87 Ca 0.44 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.84 1wir h GLU 87 Cb 0.60 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1wir h GLU 87 CO -0.35 0.03 0.40 1.88 0.07 0.00 0.00 179.01 181.04 1wir h TYR 88 N 0.05 1.16 -1.12 2.06 0.05 -1.52 -2.76 116.97 114.89 1wir h TYR 88 Ca 0.84 -0.05 0.39 0.00 0.05 0.00 0.00 58.73 59.97 1wir h TYR 88 Cb 2.38 -0.36 -0.12 0.00 1.01 0.00 0.00 36.73 39.64 1wir h TYR 88 CO -0.01 0.84 0.71 1.28 -1.05 0.00 0.00 178.16 179.93 1wir n LEU 89 N -4.31 0.19 -4.77 3.88 4.77 0.49 -4.29 117.00 112.96 1wir n LEU 89 Ca 0.08 1.17 -0.40 0.00 -0.03 0.00 0.00 56.01 56.84 1wir n LEU 89 Cb 0.13 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.61 1wir n LEU 89 CO 0.39 -1.28 0.83 -0.54 -1.33 0.00 0.00 177.39 175.46 1wir s LYS 90 N -5.00 4.41 -0.44 3.23 3.01 -1.04 -4.91 119.74 119.01 1wir s LYS 90 Ca -0.06 1.86 -0.28 0.00 -1.01 0.00 0.00 55.97 56.48 1wir s LYS 90 Cb 0.26 -2.99 -0.01 0.00 -1.01 0.00 0.00 37.83 34.07 1wir s LYS 90 CO 0.68 -0.01 1.76 -1.25 0.51 0.00 0.00 175.35 177.04 1wir s PRO 91 N -1.80 3.13 0.62 -1.68 0.04 -1.26 -4.85 135.00 129.21 1wir s PRO 91 Ca 0.49 1.07 0.30 0.00 0.04 0.00 0.00 61.00 62.90 1wir s PRO 91 Cb -0.32 -4.23 1.59 0.00 0.04 0.00 0.00 34.50 31.58 1wir s PRO 91 CO 0.41 -2.11 1.96 0.28 0.04 0.00 0.00 177.00 177.58 1wir h VAL 92 N 6.78 0.24 -4.20 -0.36 2.07 -1.91 -3.42 116.25 115.45 1wir h VAL 92 Ca -0.30 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 66.92 1wir h VAL 92 Cb 1.16 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 1wir h VAL 92 CO 1.10 0.00 -0.24 0.18 0.02 0.00 0.00 177.57 178.63 1wir n LEU 93 N -3.40 0.00 -4.94 2.57 4.32 -1.26 -5.07 117.00 109.22 1wir n LEU 93 Ca 0.03 -1.60 -0.20 0.00 -0.02 0.00 0.00 56.01 54.22 1wir n LEU 93 Cb 0.48 0.38 -0.02 0.00 -1.62 0.00 0.00 43.42 42.64 1wir n LEU 93 CO 0.22 -0.24 0.01 -0.70 -1.22 0.00 0.00 177.39 175.46 1wir s GLU 94 N -2.85 3.02 -1.34 3.23 2.12 -1.26 -4.47 118.70 117.15 1wir s GLU 94 Ca 0.06 -1.08 -0.16 0.00 0.36 0.00 0.00 54.97 54.15 1wir s GLU 94 Cb 0.00 -2.72 0.15 0.00 0.26 0.00 0.00 34.13 31.83 1wir s GLU 94 CO 0.04 0.10 0.46 -0.40 -0.54 0.00 0.00 175.26 174.93 1wir n ASP 95 N -1.54 -2.09 -4.55 -1.70 5.75 -1.26 -4.73 116.55 106.44 1wir n ASP 95 Ca -0.01 -0.68 -0.37 0.00 -0.01 0.00 0.00 54.79 53.71 1wir n ASP 95 Cb 0.58 -1.81 -0.04 0.00 -1.03 0.00 0.00 41.12 38.83 1wir n ASP 95 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1wir n ASP 96 N -2.23 2.29 0.06 -1.12 5.75 -1.26 -4.74 116.55 115.30 1wir n ASP 96 Ca 0.07 -0.41 -0.07 0.00 -0.01 0.00 0.00 54.79 54.37 1wir n ASP 96 Cb 0.48 -1.55 -0.11 0.00 -1.03 0.00 0.00 41.12 38.91 1wir n ASP 96 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1wir h LEU 97 N 18.82 0.00 -0.28 -2.12 3.38 -1.90 -3.27 115.31 129.93 1wir h LEU 97 Ca -0.25 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1wir h LEU 97 Cb 1.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1wir h LEU 97 CO 1.15 0.97 0.16 -0.07 0.09 0.00 0.00 178.44 180.74 1wir h LEU 98 N 0.00 0.26 -1.19 1.67 3.38 -1.96 -2.04 115.31 115.44 1wir h LEU 98 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1wir h LEU 98 Cb 1.77 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.43 1wir h LEU 98 CO 0.12 0.19 0.32 -0.07 0.09 0.00 0.00 178.44 179.09 1wir h LEU 99 N 0.33 0.79 -3.85 1.67 3.38 -1.94 -2.26 115.31 113.43 1wir h LEU 99 Ca 0.11 -0.07 -0.57 0.00 0.09 0.00 0.00 57.88 57.44 1wir h LEU 99 Cb 0.00 -0.20 -0.26 0.00 0.09 0.00 0.00 40.66 40.29 1wir h LEU 99 CO -0.05 0.66 0.73 0.00 0.09 0.00 0.00 178.44 179.87 1wir n GLN 100 N -4.36 2.40 -3.56 1.13 10.64 -0.89 -4.88 117.38 117.85 1wir n GLN 100 Ca 0.06 -2.84 -0.27 0.00 -1.83 0.00 0.00 57.00 52.12 1wir n GLN 100 Cb 0.12 -2.12 -0.03 0.00 -0.86 0.00 0.00 30.24 27.35 1wir n GLN 100 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 1wir s PHE 101 N -3.27 3.48 -0.98 2.61 5.36 -0.82 -4.97 117.98 119.39 1wir s PHE 101 Ca 0.56 0.41 -0.22 0.00 -0.96 0.00 0.00 56.93 56.71 1wir s PHE 101 Cb 0.44 -1.92 -0.12 0.00 -0.34 0.00 0.00 43.02 41.09 1wir s PHE 101 CO 0.02 0.29 1.92 -0.25 -1.46 0.00 0.00 175.22 175.74 1wir n ASP 102 N -0.92 2.86 0.04 6.13 9.92 -1.26 -4.58 116.55 128.73 1wir n ASP 102 Ca -0.04 -2.70 -0.08 0.00 -0.53 0.00 0.00 54.79 51.44 1wir n ASP 102 Cb 0.54 -1.43 -0.13 0.00 -0.64 0.00 0.00 41.12 39.46 1wir n ASP 102 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 1wir h VAL 103 N 5.31 1.42 -0.81 2.53 3.04 -1.93 -3.34 116.25 122.46 1wir h VAL 103 Ca 0.33 -3.16 0.19 0.00 -1.01 0.00 0.00 66.70 63.05 1wir h VAL 103 Cb 0.80 2.72 -0.14 0.00 -2.01 0.00 0.00 31.29 32.67 1wir h VAL 103 CO 1.60 0.82 0.06 -0.33 -1.01 0.00 0.00 177.57 178.71 1wir h GLU 104 N 0.01 0.12 -1.14 4.17 5.08 -1.95 0.48 114.58 121.34 1wir h GLU 104 Ca -0.11 -0.01 0.33 0.00 -1.00 0.00 0.00 59.36 58.57 1wir h GLU 104 Cb 1.86 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 30.98 1wir h GLU 104 CO 0.12 0.08 0.73 -0.44 -1.00 0.00 0.00 179.01 178.50 1wir h ASP 105 N 0.12 0.37 -0.68 1.42 3.32 -1.97 0.66 116.42 119.67 1wir h ASP 105 Ca 0.46 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.59 1wir h ASP 105 Cb 0.86 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.44 1wir h ASP 105 CO -0.69 -0.03 0.31 -0.07 -1.72 0.00 0.00 179.24 177.04 1wir h LEU 106 N 0.27 0.92 -9.07 1.55 3.38 -0.27 -3.41 115.31 108.69 1wir h LEU 106 Ca 0.68 -0.11 -0.56 0.00 0.09 0.00 0.00 57.88 57.98 1wir h LEU 106 Cb 1.91 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 1wir h LEU 106 CO -0.36 0.80 1.16 -0.31 0.09 0.00 0.00 178.44 179.82 1wir s TYR 107 N -5.53 1.97 -0.17 1.13 2.02 0.23 -4.99 117.35 112.02 1wir s TYR 107 Ca -0.11 0.45 -0.01 0.00 -0.37 0.00 0.00 57.07 57.03 1wir s TYR 107 Cb 0.16 -3.99 -0.01 0.00 -0.40 0.00 0.00 41.96 37.73 1wir s TYR 107 CO 0.81 -3.27 -0.12 -1.21 -1.57 0.00 0.00 175.55 170.19 1wir s GLU 108 N 4.73 3.29 -1.02 -0.62 2.02 -1.26 -5.01 118.70 120.83 1wir s GLU 108 Ca 0.75 -0.70 -0.24 0.00 0.02 0.00 0.00 54.97 54.80 1wir s GLU 108 Cb -0.27 -2.72 -0.06 0.00 0.10 0.00 0.00 34.13 31.17 1wir s GLU 108 CO 0.30 0.00 1.94 -1.25 0.02 0.00 0.00 175.26 176.28 1wir s PRO 109 N 0.89 2.53 -0.09 0.39 0.04 -1.26 -4.92 135.00 132.58 1wir s PRO 109 Ca -0.03 -0.67 0.03 0.00 0.04 0.00 0.00 61.00 60.37 1wir s PRO 109 Cb -0.15 -5.14 0.01 0.00 0.04 0.00 0.00 34.50 29.26 1wir s PRO 109 CO -0.00 -3.64 -0.16 0.08 0.04 0.00 0.00 177.00 173.31 1wir s VAL 110 N 10.50 1.48 -0.26 -0.36 1.01 -1.26 -5.11 120.40 126.41 1wir s VAL 110 Ca 0.69 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 1wir s VAL 110 Cb -0.04 -1.33 0.13 0.00 0.00 0.00 0.00 36.38 35.14 1wir s VAL 110 CO 0.05 0.43 0.52 -0.55 0.00 0.00 0.00 175.10 175.56 1wir s SER 111 N 0.69 -0.68 0.14 3.32 0.15 -1.26 -5.15 113.70 110.90 1wir s SER 111 Ca -0.13 1.06 -0.22 0.00 0.70 0.00 0.00 55.95 57.36 1wir s SER 111 Cb -0.16 1.78 -0.07 0.00 -1.71 0.00 0.00 66.02 65.86 1wir s SER 111 CO 0.03 -0.24 0.68 0.28 1.20 0.00 0.00 173.24 175.19 1wir s THR 112 N 2.74 4.56 -2.00 6.45 -1.32 -1.26 -4.94 115.64 119.87 1wir s THR 112 Ca 0.03 1.41 0.08 0.00 -1.21 0.00 0.00 61.69 62.00 1wir s THR 112 Cb -0.13 -3.98 0.23 0.00 -1.51 0.00 0.00 72.50 67.10 1wir s THR 112 CO -0.17 0.47 0.92 -0.81 -2.21 0.00 0.00 174.62 172.83 1wir n PRO 113 N 1.47 0.48 -0.08 7.08 -0.04 -1.26 -2.53 135.00 140.12 1wir n PRO 113 Ca -0.07 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.22 1wir n PRO 113 Cb 0.50 -1.26 -0.13 0.00 -0.04 0.00 0.00 33.50 32.57 1wir n PRO 113 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1wir n PHE 114 N -0.76 0.41 -1.13 0.54 3.72 -1.26 -4.80 117.46 114.18 1wir n PHE 114 Ca 0.06 0.10 -0.31 0.00 -0.05 0.00 0.00 57.45 57.25 1wir n PHE 114 Cb 0.03 -1.06 0.12 0.00 -0.94 0.00 0.00 39.48 37.63 1wir n PHE 114 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1wir s SER 115 N -6.44 3.85 -1.46 4.37 1.04 -1.05 -3.32 113.70 110.70 1wir s SER 115 Ca -0.25 1.77 -0.15 0.00 0.48 0.00 0.00 55.95 57.80 1wir s SER 115 Cb 0.08 -2.42 0.15 0.00 0.10 0.00 0.00 66.02 63.93 1wir s SER 115 CO 0.70 -2.44 0.38 -0.24 0.98 0.00 0.00 173.24 172.62 1wir n SER 116 N -3.78 -1.02 0.00 7.02 2.88 -1.26 -4.71 113.62 112.75 1wir n SER 116 Ca 0.09 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.62 1wir n SER 116 Cb 0.53 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 1wir n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wir n GLY 117 N -1.21 -0.24 3.61 0.46 0.00 -1.21 -5.16 105.19 101.44 1wir n GLY 117 Ca 0.02 0.68 -0.30 0.00 0.00 0.00 0.00 46.02 46.43 1wir n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wir s PRO 118 N 0.00 -0.90 1.02 1.61 0.04 -1.25 -4.34 135.00 131.17 1wir s PRO 118 Ca 0.00 0.05 -0.20 0.00 0.04 0.00 0.00 61.00 60.89 1wir s PRO 118 Cb 0.00 -1.62 -0.06 0.00 0.04 0.00 0.00 34.50 32.86 1wir s PRO 118 CO 0.00 -3.52 -0.56 -1.13 0.04 0.00 0.00 177.00 171.83 1wir n SER 119 N -4.65 -3.41 -4.12 6.66 3.41 -1.26 -5.02 113.62 105.23 1wir n SER 119 Ca 0.11 0.08 -0.10 0.00 -0.26 0.00 0.00 58.87 58.70 1wir n SER 119 Cb 0.59 -0.83 -0.10 0.00 -0.26 0.00 0.00 64.21 63.61 1wir n SER 119 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wir s SER 120 N -1.43 0.88 0.00 4.04 0.01 -1.26 -5.22 113.70 110.71 1wir s SER 120 Ca 0.47 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1wir s SER 120 Cb -0.09 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.25 1wir s SER 120 CO 0.71 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 174.52