#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 0.93 -1.51 1.61 1.04 -1.26 -4.85 113.70 109.66 1wir s SER 2 Ca 0.00 -0.95 -0.12 0.00 0.48 0.00 0.00 55.95 55.36 1wir s SER 2 Cb 0.00 0.12 0.08 0.00 0.10 0.00 0.00 66.02 66.31 1wir s SER 2 CO 0.00 -0.47 0.89 -1.20 0.98 0.00 0.00 173.24 173.44 1wir n SER 3 N 0.17 -3.87 0.00 7.02 7.64 -1.26 -4.68 113.62 118.63 1wir n SER 3 Ca -0.14 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 58.92 1wir n SER 3 Cb 0.60 -3.75 0.00 0.00 -1.01 0.00 0.00 64.21 60.05 1wir n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wir n GLY 4 N -1.66 1.02 2.74 0.23 0.00 -1.26 -4.63 105.19 101.63 1wir n GLY 4 Ca -0.02 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 1wir n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wir s SER 5 N -4.00 1.28 0.03 1.61 0.15 -1.26 -5.04 113.70 106.46 1wir s SER 5 Ca 0.00 -0.02 -0.30 0.00 0.70 0.00 0.00 55.95 56.33 1wir s SER 5 Cb 0.00 0.09 -0.05 0.00 -1.71 0.00 0.00 66.02 64.35 1wir s SER 5 CO 0.00 -0.28 1.21 -0.55 1.20 0.00 0.00 173.24 174.82 1wir s SER 6 N 2.24 7.06 0.00 5.45 0.15 -1.26 -4.59 113.70 122.74 1wir s SER 6 Ca 0.04 1.98 0.00 0.00 0.70 0.00 0.00 55.95 58.66 1wir s SER 6 Cb -0.13 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1wir s SER 6 CO -0.07 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.47 1wir n GLY 7 N 3.28 -1.45 2.55 9.45 0.00 -1.26 -5.04 105.19 112.73 1wir n GLY 7 Ca 0.10 0.51 -0.10 0.00 0.00 0.00 0.00 46.02 46.53 1wir n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wir n GLU 8 N 0.00 -3.36 0.00 1.61 1.02 -1.26 -5.04 120.64 113.61 1wir n GLU 8 Ca 0.00 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 1wir n GLU 8 Cb 0.00 -4.50 0.00 0.00 -0.02 0.00 0.00 31.44 26.92 1wir n GLU 8 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1wir n PRO 9 N -2.86 -0.10 -3.58 3.49 -0.04 -1.26 -4.54 135.00 126.12 1wir n PRO 9 Ca -0.14 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.10 1wir n PRO 9 Cb 0.60 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.13 1wir n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wir n ALA 10 N -3.00 -1.64 -3.69 0.55 0.00 -1.26 -5.00 120.51 106.47 1wir n ALA 10 Ca 0.00 0.16 -0.20 0.00 0.00 0.00 0.00 53.44 53.40 1wir n ALA 10 Cb 0.00 -3.94 -0.18 0.00 0.00 0.00 0.00 19.45 15.33 1wir n ALA 10 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1wir s HIS 11 N -3.37 0.18 0.13 0.00 3.76 -1.26 -5.14 115.29 109.59 1wir s HIS 11 Ca 0.32 0.18 -0.00 0.00 -0.15 0.00 0.00 55.06 55.40 1wir s HIS 11 Cb -0.15 -0.54 0.00 0.00 1.11 0.00 0.00 32.58 33.01 1wir s HIS 11 CO 0.75 -0.22 0.18 0.41 -0.85 0.00 0.00 174.74 175.01 1wir n GLY 12 N 5.26 2.82 3.24 -2.22 0.00 -1.26 -5.18 105.19 107.84 1wir n GLY 12 Ca -0.04 -1.48 -0.16 0.00 0.00 0.00 0.00 46.02 44.34 1wir n GLY 12 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wir s ARG 13 N -2.31 1.03 -0.88 1.61 6.06 -1.26 -5.05 118.95 118.16 1wir s ARG 13 Ca 0.11 -1.34 -0.29 0.00 -2.50 0.00 0.00 55.73 51.71 1wir s ARG 13 Cb -0.00 -0.74 -0.19 0.00 0.06 0.00 0.00 34.95 34.08 1wir s ARG 13 CO 0.08 0.12 2.61 0.00 -2.50 0.00 0.00 175.30 175.60 1wir n GLN 14 N 0.16 0.25 -4.44 5.12 10.64 -1.26 -4.89 117.38 122.97 1wir n GLN 14 Ca -0.13 -0.01 -0.32 0.00 -1.83 0.00 0.00 57.00 54.71 1wir n GLN 14 Cb 0.59 -1.97 -0.10 0.00 -0.86 0.00 0.00 30.24 27.89 1wir n GLN 14 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 1wir s HIS 15 N 9.50 2.84 -0.20 2.61 3.76 -1.26 -4.76 115.29 127.78 1wir s HIS 15 Ca 1.26 -0.08 -0.02 0.00 -0.15 0.00 0.00 55.06 56.07 1wir s HIS 15 Cb -0.97 -1.57 -0.00 0.00 1.11 0.00 0.00 32.58 31.15 1wir s HIS 15 CO 0.43 0.37 -0.09 -0.08 -0.85 0.00 0.00 174.74 174.53 1wir s THR 16 N -1.03 3.06 0.95 1.30 -1.32 0.16 -4.86 115.64 113.90 1wir s THR 16 Ca 0.18 -0.61 -0.12 0.00 -1.21 0.00 0.00 61.69 59.93 1wir s THR 16 Cb -0.11 -2.36 0.16 0.00 -1.51 0.00 0.00 72.50 68.68 1wir s THR 16 CO 0.09 0.46 1.09 -2.16 -2.21 0.00 0.00 174.62 171.89 1wir s PRO 17 N 1.28 0.84 0.73 7.08 0.04 -1.26 -1.85 135.00 141.85 1wir s PRO 17 Ca 0.03 0.67 -0.12 0.00 0.04 0.00 0.00 61.00 61.62 1wir s PRO 17 Cb -0.14 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 32.66 1wir s PRO 17 CO -0.04 -2.49 1.11 0.00 0.04 0.00 0.00 177.00 175.62 1wir h LEU 19 N -0.76 0.24 0.06 0.00 -0.00 -1.91 -3.39 115.31 109.55 1wir h LEU 19 Ca -0.45 -0.41 -0.34 0.00 -0.00 0.00 0.00 57.88 56.68 1wir h LEU 19 Cb 1.26 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 41.81 1wir h LEU 19 CO 0.63 1.35 -1.92 0.49 -0.00 0.00 0.00 178.44 179.00 1wir n PHE 20 N -3.32 0.91 -3.67 1.13 3.01 -1.26 -4.62 117.46 109.64 1wir n PHE 20 Ca -0.18 0.25 -0.10 0.00 1.01 0.00 0.00 57.45 58.43 1wir n PHE 20 Cb 1.04 -1.11 -0.00 0.00 -0.01 0.00 0.00 39.48 39.40 1wir n PHE 20 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wir n ASP 22 N -1.91 1.02 -4.49 0.00 9.92 -1.26 -3.61 116.55 116.21 1wir n ASP 22 Ca -0.01 -0.98 -0.56 0.00 -0.53 0.00 0.00 54.79 52.71 1wir n ASP 22 Cb 0.25 0.93 -0.07 0.00 -0.64 0.00 0.00 41.12 41.59 1wir n ASP 22 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wir n ARG 23 N -1.43 0.16 -3.95 -1.24 1.74 -1.26 -4.34 116.66 106.33 1wir n ARG 23 Ca 0.04 0.06 -0.35 0.00 -0.77 0.00 0.00 57.85 56.83 1wir n ARG 23 Cb 0.34 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.24 1wir n ARG 23 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wir s LEU 24 N 0.61 4.26 0.08 0.55 1.43 -1.26 -0.69 118.68 123.66 1wir s LEU 24 Ca 0.85 0.37 0.04 0.00 -1.03 0.00 0.00 54.13 54.35 1wir s LEU 24 Cb -1.16 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 1wir s LEU 24 CO 0.56 0.35 -0.11 -0.36 0.23 0.00 0.00 176.35 177.02 1wir s PHE 25 N -1.12 1.02 0.01 0.29 0.40 -0.77 -4.96 117.98 112.84 1wir s PHE 25 Ca 0.19 -0.56 -0.22 0.00 -0.60 0.00 0.00 56.93 55.75 1wir s PHE 25 Cb -0.12 -0.57 -0.18 0.00 0.51 0.00 0.00 43.02 42.66 1wir s PHE 25 CO 0.09 -0.00 1.24 0.00 0.70 0.00 0.00 175.22 177.25 1wir h ALA 26 N 4.01 0.13 -2.03 5.36 0.00 -1.86 0.45 119.26 125.33 1wir h ALA 26 Ca -0.38 -0.36 -0.57 0.00 0.00 0.00 0.00 54.91 53.59 1wir h ALA 26 Cb 1.19 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 1wir h ALA 26 CO 0.46 0.06 -0.63 -1.54 0.00 0.00 0.00 179.25 177.60 1wir s SER 27 N -6.15 4.31 0.29 0.00 1.04 -1.26 -4.45 113.70 107.47 1wir s SER 27 Ca -0.15 -0.85 0.09 0.00 0.48 0.00 0.00 55.95 55.52 1wir s SER 27 Cb 0.04 -0.64 0.43 0.00 0.10 0.00 0.00 66.02 65.95 1wir s SER 27 CO 0.74 -0.14 1.66 0.00 0.98 0.00 0.00 173.24 176.48 1wir h ALA 28 N 1.84 1.06 -0.39 5.32 0.00 -1.89 -3.12 119.26 122.07 1wir h ALA 28 Ca -0.43 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 53.91 1wir h ALA 28 Cb 1.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1wir h ALA 28 CO 0.64 0.67 -0.09 0.93 0.00 0.00 0.00 179.25 181.40 1wir h GLU 29 N 0.07 0.76 -0.93 0.00 5.08 -1.96 -2.66 114.58 114.94 1wir h GLU 29 Ca -0.00 -0.29 0.13 0.00 -1.00 0.00 0.00 59.36 58.20 1wir h GLU 29 Cb 0.96 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.09 1wir h GLU 29 CO 0.07 0.89 0.59 0.93 -1.00 0.00 0.00 179.01 180.49 1wir h GLU 30 N 0.57 0.80 0.32 2.33 4.39 -1.96 -2.54 114.58 118.48 1wir h GLU 30 Ca 0.10 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1wir h GLU 30 Cb 0.60 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1wir h GLU 30 CO 0.04 0.53 -0.15 1.15 -1.16 0.00 0.00 179.01 179.41 1wir h THR 31 N 0.82 0.00 -0.68 1.13 2.02 -1.55 -3.01 112.91 111.65 1wir h THR 31 Ca 0.46 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 67.43 1wir h THR 31 Cb 0.60 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.92 1wir h THR 31 CO -0.22 0.00 -0.40 0.49 0.37 0.00 0.00 175.52 175.75 1wir n PHE 32 N -3.91 -0.30 -0.27 3.16 3.72 -1.02 0.10 117.46 118.95 1wir n PHE 32 Ca -0.05 0.85 0.08 0.00 -0.05 0.00 0.00 57.45 58.28 1wir n PHE 32 Cb 0.17 -0.54 0.22 0.00 -0.94 0.00 0.00 39.48 38.39 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 -0.06 -0.84 4.37 0.87 -1.57 0.36 113.55 116.67 1wir h SER 33 Ca 0.11 0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1wir h SER 33 Cb 0.28 0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.45 1wir h SER 33 CO -0.64 -0.11 0.52 -0.74 -0.53 0.00 0.00 176.83 175.33 1wir h HIS 34 N 0.22 1.10 0.00 2.24 -0.00 0.81 -0.62 115.15 118.90 1wir h HIS 34 Ca 0.47 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.84 1wir h HIS 34 Cb 0.86 -0.36 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 1wir h HIS 34 CO -0.30 0.72 0.00 0.00 -0.00 0.00 0.00 177.93 178.36 1wir n LYS 36 N -2.84 0.38 -0.04 0.00 5.02 -0.31 0.23 118.16 120.60 1wir n LYS 36 Ca 0.02 0.03 -0.17 0.00 -2.02 0.00 0.00 58.31 56.17 1wir n LYS 36 Cb 0.32 -1.66 -0.14 0.00 -0.02 0.00 0.00 35.03 33.53 1wir n LYS 36 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1wir n LEU 37 N -2.17 2.13 -0.04 -0.35 4.77 -0.49 -3.77 117.00 117.09 1wir n LEU 37 Ca 0.01 0.14 -0.04 0.00 -0.03 0.00 0.00 56.01 56.09 1wir n LEU 37 Cb 0.47 -0.67 -0.01 0.00 -2.33 0.00 0.00 43.42 40.88 1wir n LEU 37 CO 0.40 0.75 -0.29 -0.62 -1.33 0.00 0.00 177.39 176.30 1wir n GLU 38 N -3.27 0.23 0.20 3.23 -0.58 -0.59 -4.62 120.64 115.25 1wir n GLU 38 Ca -0.33 0.09 0.07 0.00 -0.42 0.00 0.00 57.16 56.57 1wir n GLU 38 Cb 1.05 -0.89 0.42 0.00 -0.57 0.00 0.00 31.44 31.44 1wir n GLU 38 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1wir h HIS 39 N -0.43 0.00 -1.68 -0.32 3.86 -1.63 -3.47 115.15 111.48 1wir h HIS 39 Ca 0.00 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.94 1wir h HIS 39 Cb 0.43 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 1wir h HIS 39 CO -0.19 0.32 -0.32 1.04 0.86 0.00 0.00 177.93 179.64 1wir n GLN 40 N -3.63 -1.04 -3.65 2.45 6.02 0.64 -4.90 117.38 113.27 1wir n GLN 40 Ca -0.01 0.70 -0.40 0.00 -0.01 0.00 0.00 57.00 57.29 1wir n GLN 40 Cb 0.44 -4.91 -0.12 0.00 1.02 0.00 0.00 30.24 26.67 1wir n GLN 40 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1wir s PHE 41 N -2.63 3.24 -0.02 1.08 2.19 0.11 -4.85 117.98 117.09 1wir s PHE 41 Ca 0.00 -1.07 -0.25 0.00 0.33 0.00 0.00 56.93 55.94 1wir s PHE 41 Cb 0.00 -2.39 -0.04 0.00 -1.31 0.00 0.00 43.02 39.28 1wir s PHE 41 CO 0.00 -0.66 0.75 -0.80 1.83 0.00 0.00 175.22 176.34 1wir s ASN 42 N 1.51 7.10 -0.04 6.13 -0.87 -1.26 -4.02 114.94 123.49 1wir s ASN 42 Ca 0.01 1.33 -0.23 0.00 -1.57 0.00 0.00 52.86 52.40 1wir s ASN 42 Cb -0.19 -2.45 -0.26 0.00 -0.02 0.00 0.00 41.25 38.33 1wir s ASN 42 CO 0.05 -0.09 0.99 -0.29 -2.57 0.00 0.00 177.10 175.20 1wir h ILE 43 N 4.55 1.53 -0.42 0.60 6.09 -1.98 -3.28 117.51 124.60 1wir h ILE 43 Ca -0.42 -2.18 0.07 0.00 -1.37 0.00 0.00 64.86 60.96 1wir h ILE 43 Cb 1.20 2.89 -0.06 0.00 0.47 0.00 0.00 36.82 41.33 1wir h ILE 43 CO 0.74 0.61 0.09 0.44 -3.07 0.00 0.00 178.15 176.96 1wir h ASP 44 N -0.40 0.02 -0.86 2.19 5.19 -2.01 -1.63 116.42 118.93 1wir h ASP 44 Ca -0.07 0.07 0.17 0.00 -0.62 0.00 0.00 57.03 56.58 1wir h ASP 44 Cb 1.26 0.09 -0.10 0.00 0.18 0.00 0.00 39.33 40.76 1wir h ASP 44 CO 0.09 0.05 0.41 -1.28 -3.12 0.00 0.00 179.24 175.39 1wir h SER 45 N 0.22 0.45 -0.27 6.45 0.87 -1.99 -0.60 113.55 118.68 1wir h SER 45 Ca 0.21 0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.89 1wir h SER 45 Cb 0.25 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1wir h SER 45 CO -0.27 0.14 0.15 0.24 -0.53 0.00 0.00 176.83 176.57 1wir h MET 46 N 0.54 0.31 0.04 2.24 2.86 -1.36 0.25 114.93 119.81 1wir h MET 46 Ca 0.49 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 58.13 1wir h MET 46 Cb 0.78 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.34 1wir h MET 46 CO -0.42 0.20 -0.19 0.28 1.06 0.00 0.00 176.91 177.85 1wir h VAL 47 N 0.32 0.56 -0.65 -2.22 2.07 -0.84 0.13 116.25 115.62 1wir h VAL 47 Ca 0.10 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 1wir h VAL 47 Cb -0.00 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1wir h VAL 47 CO -0.05 0.00 0.26 0.45 0.02 0.00 0.00 177.57 178.25 1wir h HIS 48 N -0.33 0.99 0.04 1.57 3.86 -1.19 0.70 115.15 120.79 1wir h HIS 48 Ca 0.04 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1wir h HIS 48 Cb 0.38 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.55 1wir h HIS 48 CO -0.21 0.77 -0.02 -0.22 0.86 0.00 0.00 177.93 179.10 1wir h LYS 49 N 0.91 -0.06 -0.92 2.45 3.64 -0.10 -2.96 116.57 119.53 1wir h LYS 49 Ca 0.22 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.50 1wir h LYS 49 Cb 0.20 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 1wir h LYS 49 CO -0.02 -0.04 0.13 0.72 -2.27 0.00 0.00 179.45 177.97 1wir n HIS 50 N -2.26 0.98 -3.54 1.91 8.25 -0.00 -4.87 115.22 115.68 1wir n HIS 50 Ca -0.01 -0.65 -0.28 0.00 -0.26 0.00 0.00 57.72 56.52 1wir n HIS 50 Cb 0.03 -0.39 -0.05 0.00 1.12 0.00 0.00 29.99 30.69 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 0.05 -0.25 3.50 -1.41 0.00 0.22 -4.62 105.19 102.69 1wir n GLY 51 Ca 0.17 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1wir n GLY 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wir n LEU 52 N -2.90 1.47 0.00 0.99 4.77 0.40 -4.91 117.00 116.81 1wir n LEU 52 Ca 0.05 -0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.87 1wir n LEU 52 Cb 0.31 -1.25 0.12 0.00 -2.33 0.00 0.00 43.42 40.28 1wir n LEU 52 CO 0.64 -1.05 0.32 -1.84 -1.33 0.00 0.00 177.39 174.13 1wir n GLU 53 N 8.60 -1.93 -0.02 3.23 -0.00 -1.26 -3.99 120.64 125.27 1wir n GLU 53 Ca 0.49 -0.89 -0.00 0.00 -0.00 0.00 0.00 57.16 56.76 1wir n GLU 53 Cb 0.27 -0.80 -0.00 0.00 -0.00 0.00 0.00 31.44 30.90 1wir n GLU 53 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1wir n PHE 54 N -3.60 -0.02 -0.11 -1.84 7.35 -1.26 -0.70 117.46 117.28 1wir n PHE 54 Ca 0.08 0.05 -0.12 0.00 -0.76 0.00 0.00 57.45 56.69 1wir n PHE 54 Cb 0.29 -0.34 -0.03 0.00 0.35 0.00 0.00 39.48 39.75 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 0.79 -1.00 -5.13 0.05 -2.00 -3.22 116.97 106.47 1wir h TYR 55 Ca 0.01 -0.20 0.20 0.00 0.05 0.00 0.00 58.73 58.79 1wir h TYR 55 Cb 0.01 -0.18 -0.19 0.00 1.01 0.00 0.00 36.73 37.39 1wir h TYR 55 CO -0.63 0.90 -0.26 0.78 -1.05 0.00 0.00 178.16 177.91 1wir h GLY 56 N 0.46 0.68 0.74 3.88 0.00 -1.20 0.24 103.07 107.87 1wir h GLY 56 Ca 0.07 0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.77 1wir h GLY 56 CO 0.05 -0.37 -0.06 -1.82 0.00 0.00 0.00 176.54 174.34 1wir h TYR 57 N -0.00 -0.14 -0.52 5.60 3.20 -0.92 -2.40 116.97 121.79 1wir h TYR 57 Ca 0.47 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.45 1wir h TYR 57 Cb 0.72 0.07 -0.10 0.00 1.54 0.00 0.00 36.73 38.96 1wir h TYR 57 CO -0.77 -0.09 -0.21 0.82 -1.64 0.00 0.00 178.16 176.27 1wir h ILE 58 N -0.07 0.35 -0.86 1.81 2.04 -0.62 0.16 117.51 120.33 1wir h ILE 58 Ca 0.05 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.00 1wir h ILE 58 Cb 0.14 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 36.51 1wir h ILE 58 CO -0.12 0.00 0.55 0.11 0.00 0.00 0.00 178.15 178.69 1wir h LYS 59 N -0.09 0.82 -0.22 2.37 1.57 -1.07 -1.78 116.57 118.18 1wir h LYS 59 Ca 0.24 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1wir h LYS 59 Cb 0.47 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1wir h LYS 59 CO -0.58 0.54 0.07 1.25 -0.57 0.00 0.00 179.45 180.16 1wir h LEU 60 N 0.85 0.07 0.46 2.94 7.12 -0.21 0.48 115.31 127.02 1wir h LEU 60 Ca 0.39 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 58.40 1wir h LEU 60 Cb 0.39 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.54 1wir h LEU 60 CO -0.16 0.07 -0.22 0.40 -0.13 0.00 0.00 178.44 178.40 1wir h ILE 61 N 0.17 0.00 -0.94 4.05 1.08 -0.81 -2.91 117.51 118.15 1wir h ILE 61 Ca 0.10 -0.10 0.19 0.00 -0.39 0.00 0.00 64.86 64.65 1wir h ILE 61 Cb 0.07 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 33.74 1wir h ILE 61 CO -0.10 0.00 0.60 0.78 -0.69 0.00 0.00 178.15 178.74 1wir h ASN 62 N -0.72 0.56 -0.09 1.72 2.35 -1.37 -1.71 115.58 116.32 1wir h ASN 62 Ca -0.06 0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 1wir h ASN 62 Cb 0.47 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.74 1wir h ASN 62 CO 0.10 0.22 -0.32 0.15 -1.65 0.00 0.00 177.43 175.93 1wir h PHE 63 N 0.56 -0.89 0.00 1.19 3.57 0.04 0.22 116.94 121.62 1wir h PHE 63 Ca 0.50 0.04 0.00 0.00 3.53 0.00 0.00 57.97 62.04 1wir h PHE 63 Cb 1.03 0.41 0.00 0.00 2.79 0.00 0.00 35.95 40.18 1wir h PHE 63 CO -0.00 -0.41 0.00 0.82 -2.23 0.00 0.00 178.31 176.49 1wir h ILE 64 N -0.42 0.00 0.16 1.41 2.04 -1.12 0.14 117.51 119.71 1wir h ILE 64 Ca 0.08 -0.16 -0.23 0.00 1.00 0.00 0.00 64.86 65.55 1wir h ILE 64 Cb 0.55 0.97 0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1wir h ILE 64 CO -0.33 0.00 -1.06 0.03 0.00 0.00 0.00 178.15 176.79 1wir h ARG 65 N 0.00 0.33 0.13 2.37 2.47 -0.37 -0.03 114.38 119.28 1wir h ARG 65 Ca 0.00 -0.57 -0.24 0.00 -1.26 0.00 0.00 59.98 57.91 1wir h ARG 65 Cb 0.19 0.21 0.03 0.00 -1.65 0.00 0.00 29.97 28.75 1wir h ARG 65 CO 0.00 1.27 -1.04 1.25 0.56 0.00 0.00 179.97 182.02 1wir h LEU 66 N -0.26 0.68 0.00 3.04 6.46 -0.38 -3.39 115.31 121.46 1wir h LEU 66 Ca -0.20 -0.87 -0.00 0.00 -0.12 0.00 0.00 57.88 56.69 1wir h LEU 66 Cb 1.77 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 41.48 1wir h LEU 66 CO 0.16 1.49 -0.40 0.11 -0.62 0.00 0.00 178.44 179.18 1wir h LYS 67 N -0.02 0.00 -3.72 1.25 1.79 -0.90 -3.50 116.57 111.47 1wir h LYS 67 Ca -0.17 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.18 1wir h LYS 67 Cb 1.77 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 32.49 1wir h LYS 67 CO 0.20 0.02 -0.34 0.09 -1.08 0.00 0.00 179.45 178.34 1wir n ASN 68 N -4.65 -2.76 -3.09 0.86 4.13 -0.02 -5.02 115.26 104.71 1wir n ASN 68 Ca -0.06 -0.27 0.00 0.00 1.68 0.00 0.00 54.58 55.93 1wir n ASN 68 Cb 0.21 -2.46 0.00 0.00 -1.54 0.00 0.00 39.78 35.99 1wir n ASN 68 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1wir n PRO 69 N -2.28 0.14 -4.44 3.52 -0.04 -1.26 -5.04 135.00 125.59 1wir n PRO 69 Ca -0.09 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.05 1wir n PRO 69 Cb 0.56 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.92 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 -0.43 3.66 0.11 0.52 -1.32 -1.26 -4.95 115.64 111.97 1wir s THR 70 Ca 0.00 -0.78 -0.19 0.00 -1.21 0.00 0.00 61.69 59.51 1wir s THR 70 Cb 0.00 -2.60 -0.01 0.00 -1.51 0.00 0.00 72.50 68.38 1wir s THR 70 CO 0.00 0.38 1.02 0.52 -2.21 0.00 0.00 174.62 174.34 1wir n VAL 71 N 1.52 -0.43 -0.25 5.08 0.31 -1.26 0.19 118.33 123.49 1wir n VAL 71 Ca -0.15 1.59 0.05 0.00 -0.01 0.00 0.00 64.34 65.82 1wir n VAL 71 Cb 0.53 -1.99 0.18 0.00 -0.91 0.00 0.00 33.84 31.65 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 0.33 -0.37 5.55 5.08 -1.95 0.14 114.58 123.36 1wir h GLU 72 Ca 0.13 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1wir h GLU 72 Cb 0.29 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1wir h GLU 72 CO -0.63 0.22 -0.00 -0.92 -1.00 0.00 0.00 179.01 176.68 1wir h TYR 73 N 0.34 0.61 0.00 4.33 5.03 0.17 -1.31 116.97 126.14 1wir h TYR 73 Ca 0.41 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.66 1wir h TYR 73 Cb 0.68 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.78 1wir h TYR 73 CO -0.22 0.59 0.00 -1.33 -1.32 0.00 0.00 178.16 175.88 1wir n MET 74 N -4.26 0.12 -0.04 1.82 2.81 0.47 -1.83 117.12 116.21 1wir n MET 74 Ca 0.02 0.21 -0.01 0.00 -1.81 0.00 0.00 57.70 56.10 1wir n MET 74 Cb 0.26 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.18 1wir n MET 74 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1wir n ASN 75 N -1.30 2.21 -4.23 7.83 3.02 -0.53 -4.77 115.26 117.49 1wir n ASN 75 Ca 0.04 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.16 1wir n ASN 75 Cb 0.07 1.07 0.00 0.00 -0.61 0.00 0.00 39.78 40.32 1wir n ASN 75 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1wir n SER 76 N -2.23 5.27 -4.18 6.41 3.41 -0.76 -4.96 113.62 116.58 1wir n SER 76 Ca -0.12 -3.05 -0.19 0.00 -0.26 0.00 0.00 58.87 55.24 1wir n SER 76 Cb 0.66 -1.51 -0.12 0.00 -0.26 0.00 0.00 64.21 62.98 1wir n SER 76 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wir s ILE 77 N 0.70 1.19 -0.26 -1.33 1.09 -1.26 -4.95 121.20 116.38 1wir s ILE 77 Ca 0.40 -1.29 -0.06 0.00 -1.10 0.00 0.00 60.65 58.60 1wir s ILE 77 Cb 0.01 -1.12 0.13 0.00 -1.06 0.00 0.00 42.46 40.42 1wir s ILE 77 CO 0.00 -0.17 0.54 -0.72 -0.10 0.00 0.00 174.94 174.49 1wir s TYR 78 N -1.20 -1.17 0.04 3.97 1.13 -1.26 -5.08 117.35 113.77 1wir s TYR 78 Ca -0.00 1.79 -0.31 0.00 -1.41 0.00 0.00 57.07 57.13 1wir s TYR 78 Cb -0.10 0.51 -0.16 0.00 -1.10 0.00 0.00 41.96 41.12 1wir s TYR 78 CO 0.02 -0.66 0.79 0.09 -2.51 0.00 0.00 175.55 173.28 1wir n ASN 79 N 5.42 -0.23 -4.76 -0.18 4.13 -1.26 -4.16 115.26 114.22 1wir n ASN 79 Ca -0.08 0.95 -0.41 0.00 1.68 0.00 0.00 54.58 56.73 1wir n ASN 79 Cb 0.50 -0.77 -0.03 0.00 -1.54 0.00 0.00 39.78 37.94 1wir n ASN 79 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1wir s PRO 80 N -0.18 4.45 0.55 3.52 0.04 -1.26 -5.14 135.00 136.98 1wir s PRO 80 Ca 0.70 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 63.62 1wir s PRO 80 Cb -0.99 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 30.36 1wir s PRO 80 CO 0.47 -0.09 1.05 0.14 0.04 0.00 0.00 177.00 178.62 1wir s VAL 81 N -0.84 3.77 -2.00 -0.36 -7.23 -1.26 -4.91 120.40 107.57 1wir s VAL 81 Ca 0.49 0.95 0.12 0.00 -1.81 0.00 0.00 61.98 61.74 1wir s VAL 81 Cb -0.37 -3.41 0.34 0.00 0.56 0.00 0.00 36.38 33.51 1wir s VAL 81 CO 0.46 -0.39 1.15 -0.81 -0.31 0.00 0.00 175.10 175.20 1wir n PRO 82 N -1.58 0.49 -0.13 4.82 -0.04 -1.26 -1.92 135.00 135.37 1wir n PRO 82 Ca 0.09 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.60 1wir n PRO 82 Cb 0.53 -1.38 0.06 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.88 0.00 -0.65 0.54 2.14 -1.26 -4.81 117.44 112.52 1wir n TRP 83 Ca 0.09 -0.58 -0.06 0.00 2.07 0.00 0.00 57.50 59.02 1wir n TRP 83 Cb 0.04 -0.09 0.01 0.00 -0.81 0.00 0.00 31.31 30.46 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 -0.78 1.30 -4.84 -2.67 0.00 -0.81 -4.78 120.64 108.06 1wir n GLU 84 Ca 0.07 -0.56 -0.25 0.00 0.00 0.00 0.00 57.16 56.43 1wir n GLU 84 Cb 0.55 -1.23 -0.15 0.00 0.00 0.00 0.00 31.44 30.60 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 -0.60 1.43 0.20 5.31 -0.14 -1.26 -5.01 119.74 119.68 1wir s LYS 85 Ca 0.12 -0.65 -0.10 0.00 -1.36 0.00 0.00 55.97 53.98 1wir s LYS 85 Cb 0.09 -1.39 0.21 0.00 -1.68 0.00 0.00 37.83 35.06 1wir s LYS 85 CO -0.00 0.38 1.81 0.38 -0.76 0.00 0.00 175.35 177.15 1wir h ASP 86 N 5.66 0.53 -1.69 2.83 2.03 -2.02 -1.80 116.42 121.96 1wir h ASP 86 Ca -0.37 0.03 0.53 0.00 -0.73 0.00 0.00 57.03 56.48 1wir h ASP 86 Cb 1.15 -0.08 -0.11 0.00 -0.83 0.00 0.00 39.33 39.46 1wir h ASP 86 CO 0.48 0.35 1.16 -0.33 -1.03 0.00 0.00 179.24 179.87 1wir h GLU 87 N 0.66 0.00 -0.13 4.15 5.08 -1.96 1.72 114.58 124.11 1wir h GLU 87 Ca 0.28 -0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.41 1wir h GLU 87 Cb 0.15 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.41 1wir h GLU 87 CO -0.17 0.00 -0.82 1.88 -1.00 0.00 0.00 179.01 178.90 1wir h TYR 88 N 0.00 1.05 -0.95 4.33 0.05 -1.66 -3.23 116.97 116.56 1wir h TYR 88 Ca 0.92 -0.48 0.29 0.00 0.05 0.00 0.00 58.73 59.51 1wir h TYR 88 Cb 3.33 -0.15 -0.15 0.00 1.01 0.00 0.00 36.73 40.77 1wir h TYR 88 CO -0.00 1.31 0.41 -0.07 -1.05 0.00 0.00 178.16 178.76 1wir h LEU 89 N 0.51 0.26-10.01 3.88 3.38 0.26 -3.41 115.31 110.17 1wir h LEU 89 Ca -0.06 0.20 -0.55 0.00 0.09 0.00 0.00 57.88 57.56 1wir h LEU 89 Cb 1.45 0.21 0.13 0.00 0.09 0.00 0.00 40.66 42.54 1wir h LEU 89 CO 0.17 -0.16 0.67 -0.54 0.09 0.00 0.00 178.44 178.66 1wir s LYS 90 N -5.78 3.46 -0.83 1.13 1.02 -1.19 -4.83 119.74 112.71 1wir s LYS 90 Ca -0.11 2.37 -0.25 0.00 0.02 0.00 0.00 55.97 58.00 1wir s LYS 90 Cb 0.29 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 1wir s LYS 90 CO 0.78 -0.98 1.93 -1.25 -0.92 0.00 0.00 175.35 174.91 1wir s PRO 91 N -2.64 2.57 0.48 -1.68 0.04 -1.26 -4.82 135.00 127.69 1wir s PRO 91 Ca 0.65 -0.08 0.35 0.00 0.04 0.00 0.00 61.00 61.97 1wir s PRO 91 Cb -0.43 -4.90 1.50 0.00 0.04 0.00 0.00 34.50 30.70 1wir s PRO 91 CO 0.53 -3.23 1.65 0.28 0.04 0.00 0.00 177.00 176.28 1wir h VAL 92 N 7.17 0.16 -4.70 -0.36 2.07 -1.89 -3.40 116.25 115.30 1wir h VAL 92 Ca 0.01 -0.03 -0.34 0.00 0.82 0.00 0.00 66.70 67.16 1wir h VAL 92 Cb 1.04 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1wir h VAL 92 CO 1.21 0.01 -0.22 0.18 0.02 0.00 0.00 177.57 178.77 1wir n LEU 93 N -4.43 0.00 -4.74 2.57 4.32 -1.26 -5.07 117.00 108.39 1wir n LEU 93 Ca 0.36 -1.66 -0.34 0.00 -0.02 0.00 0.00 56.01 54.35 1wir n LEU 93 Cb 1.51 0.13 -0.08 0.00 -1.62 0.00 0.00 43.42 43.35 1wir n LEU 93 CO 0.30 -0.30 -0.27 -0.70 -1.22 0.00 0.00 177.39 175.19 1wir s GLU 94 N -3.06 3.02 -1.29 3.23 -6.30 -1.26 -4.58 118.70 108.45 1wir s GLU 94 Ca 0.05 -0.46 -0.07 0.00 -2.50 0.00 0.00 54.97 51.99 1wir s GLU 94 Cb -0.00 -2.83 -0.00 0.00 0.00 0.00 0.00 34.13 31.29 1wir s GLU 94 CO 0.03 0.67 0.60 -3.47 0.02 0.00 0.00 175.26 173.11 1wir n ASP 95 N 1.59 -2.19 -4.71 -1.70 -0.08 -1.26 -4.88 116.55 103.31 1wir n ASP 95 Ca -0.16 -0.98 -0.42 0.00 -1.51 0.00 0.00 54.79 51.73 1wir n ASP 95 Cb 0.53 -3.35 -0.03 0.00 2.34 0.00 0.00 41.12 40.61 1wir n ASP 95 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1wir s ASP 96 N -4.06 6.94 -0.09 1.67 1.11 -1.26 -4.85 116.67 116.13 1wir s ASP 96 Ca 0.17 2.19 0.08 0.00 0.18 0.00 0.00 52.55 55.17 1wir s ASP 96 Cb -0.06 -2.58 -0.24 0.00 1.07 0.00 0.00 42.92 41.11 1wir s ASP 96 CO 0.87 -0.57 0.49 0.18 1.18 0.00 0.00 175.17 177.32 1wir n LEU 97 N 3.92 1.26 0.18 1.23 4.77 -1.26 -3.72 117.00 123.38 1wir n LEU 97 Ca 0.10 0.30 0.03 0.00 -0.03 0.00 0.00 56.01 56.42 1wir n LEU 97 Cb 0.44 -0.13 0.42 0.00 -2.33 0.00 0.00 43.42 41.83 1wir n LEU 97 CO 0.57 0.53 0.85 -0.07 -1.33 0.00 0.00 177.39 177.94 1wir h LEU 98 N 0.02 0.08 -0.02 2.23 3.38 -1.93 -0.79 115.31 118.27 1wir h LEU 98 Ca -0.36 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 1wir h LEU 98 Cb 2.04 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.77 1wir h LEU 98 CO 0.07 0.30 -0.14 -0.07 0.09 0.00 0.00 178.44 178.69 1wir h LEU 99 N 0.08 0.17 -1.77 1.67 4.07 -1.96 -3.17 115.31 114.39 1wir h LEU 99 Ca 0.01 -0.68 -0.00 0.00 0.08 0.00 0.00 57.88 57.29 1wir h LEU 99 Cb 0.43 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.12 1wir h LEU 99 CO 0.03 0.82 -0.01 0.06 -1.08 0.00 0.00 178.44 178.26 1wir h GLN 100 N -0.47 0.00 -6.29 1.13 3.07 -1.61 -3.45 115.11 107.48 1wir h GLN 100 Ca -0.01 0.00 -0.66 0.00 0.09 0.00 0.00 58.65 58.07 1wir h GLN 100 Cb 0.82 0.00 0.08 0.00 0.08 0.00 0.00 27.48 28.46 1wir h GLN 100 CO 0.03 0.01 0.24 0.34 0.09 0.00 0.00 178.83 179.54 1wir n PHE 101 N -3.11 1.20 -2.07 0.06 -0.00 -0.31 -4.80 117.46 108.43 1wir n PHE 101 Ca -0.00 0.71 -0.37 0.00 -0.00 0.00 0.00 57.45 57.79 1wir n PHE 101 Cb 0.26 -2.26 -0.03 0.00 -0.00 0.00 0.00 39.48 37.45 1wir n PHE 101 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1wir s ASP 102 N -0.01 5.29 0.36 -2.13 -1.08 -1.26 -4.79 116.67 113.06 1wir s ASP 102 Ca 0.75 0.12 0.21 0.00 -0.52 0.00 0.00 52.55 53.12 1wir s ASP 102 Cb -0.89 -2.54 0.23 0.00 -1.46 0.00 0.00 42.92 38.26 1wir s ASP 102 CO 0.52 -2.41 1.47 1.62 0.52 0.00 0.00 175.17 176.89 1wir h VAL 103 N 6.91 0.15 -0.97 1.11 3.04 -1.91 -3.30 116.25 121.28 1wir h VAL 103 Ca -0.20 -1.22 0.14 0.00 -1.01 0.00 0.00 66.70 64.42 1wir h VAL 103 Cb 1.13 1.99 -0.08 0.00 -2.01 0.00 0.00 31.29 32.31 1wir h VAL 103 CO 1.22 0.08 0.61 -0.33 -1.01 0.00 0.00 177.57 178.15 1wir h GLU 104 N 0.00 0.82 -1.01 4.17 4.39 -1.95 0.17 114.58 121.16 1wir h GLU 104 Ca -0.01 -0.05 0.26 0.00 0.34 0.00 0.00 59.36 59.91 1wir h GLU 104 Cb 1.08 -0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 29.47 1wir h GLU 104 CO 0.01 0.54 0.68 0.38 -1.16 0.00 0.00 179.01 179.46 1wir h ASP 105 N 0.84 0.29 -0.13 1.42 2.03 -1.98 0.45 116.42 119.34 1wir h ASP 105 Ca 0.50 0.05 -0.07 0.00 -0.73 0.00 0.00 57.03 56.77 1wir h ASP 105 Cb 0.66 -0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.14 1wir h ASP 105 CO -0.27 0.07 -0.13 -0.07 -1.03 0.00 0.00 179.24 177.82 1wir h LEU 106 N 0.26 0.47 -9.06 0.15 3.38 -1.20 -3.41 115.31 105.90 1wir h LEU 106 Ca 0.53 -0.12 -0.56 0.00 0.09 0.00 0.00 57.88 57.82 1wir h LEU 106 Cb 1.59 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 1wir h LEU 106 CO -0.17 0.64 1.14 -0.31 0.09 0.00 0.00 178.44 179.82 1wir s TYR 107 N -4.73 2.04 0.50 1.13 2.02 0.16 -4.99 117.35 113.48 1wir s TYR 107 Ca -0.07 0.49 -0.10 0.00 -0.37 0.00 0.00 57.07 57.02 1wir s TYR 107 Cb 0.15 -3.98 -0.05 0.00 -0.40 0.00 0.00 41.96 37.68 1wir s TYR 107 CO 0.78 -3.12 0.87 -1.21 -1.57 0.00 0.00 175.55 171.30 1wir s GLU 108 N 4.67 3.68 0.73 -0.62 0.41 -1.26 -5.02 118.70 121.29 1wir s GLU 108 Ca 0.73 0.53 -0.12 0.00 -0.41 0.00 0.00 54.97 55.70 1wir s GLU 108 Cb -0.26 -2.27 0.04 0.00 -1.78 0.00 0.00 34.13 29.86 1wir s GLU 108 CO 0.30 -0.27 1.10 -1.25 -0.49 0.00 0.00 175.26 174.65 1wir s PRO 109 N -4.52 2.45 0.06 0.39 0.04 -1.26 -5.07 135.00 127.09 1wir s PRO 109 Ca 0.52 1.24 0.09 0.00 0.04 0.00 0.00 61.00 62.89 1wir s PRO 109 Cb -0.10 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1wir s PRO 109 CO 0.42 -1.50 -0.25 0.08 0.04 0.00 0.00 177.00 175.79 1wir s VAL 110 N -2.71 1.99 -0.29 -0.36 1.01 -1.26 -5.13 120.40 113.66 1wir s VAL 110 Ca 0.63 -1.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 1wir s VAL 110 Cb -0.18 -1.73 0.11 0.00 0.00 0.00 0.00 36.38 34.58 1wir s VAL 110 CO 0.51 0.26 0.69 -0.55 0.00 0.00 0.00 175.10 176.01 1wir s SER 111 N -1.37 -1.01 -0.09 3.32 0.15 -1.26 -5.17 113.70 108.28 1wir s SER 111 Ca 0.10 1.49 -0.09 0.00 0.70 0.00 0.00 55.95 58.16 1wir s SER 111 Cb -0.10 1.81 0.02 0.00 -1.71 0.00 0.00 66.02 66.05 1wir s SER 111 CO 0.03 -0.22 0.25 0.42 1.20 0.00 0.00 173.24 174.91 1wir s THR 112 N 2.23 -0.00 0.22 6.45 -4.23 -1.26 -5.05 115.64 114.00 1wir s THR 112 Ca -0.08 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.42 1wir s THR 112 Cb -0.08 -0.35 -0.01 0.00 1.34 0.00 0.00 72.50 73.40 1wir s THR 112 CO -0.19 0.00 1.58 1.55 -0.54 0.00 0.00 174.62 177.02 1wir h PRO 113 N 5.76 0.54 -5.08 3.99 0.13 -2.02 -3.47 132.00 131.85 1wir h PRO 113 Ca -0.26 -0.29 -0.32 0.00 -0.87 0.00 0.00 66.00 64.26 1wir h PRO 113 Cb 1.19 0.01 0.12 0.00 0.13 0.00 0.00 31.00 32.46 1wir h PRO 113 CO 0.35 0.87 -0.59 1.19 -0.23 0.00 0.00 178.00 179.59 1wir n PHE 114 N -4.02 -2.30 -2.81 1.56 3.72 -1.26 -4.96 117.46 107.38 1wir n PHE 114 Ca -0.02 0.84 -0.42 0.00 -0.05 0.00 0.00 57.45 57.81 1wir n PHE 114 Cb 0.53 -4.45 -0.03 0.00 -0.94 0.00 0.00 39.48 34.58 1wir n PHE 114 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1wir s SER 115 N -3.47 7.18 -1.70 4.37 0.15 -1.26 -3.88 113.70 115.08 1wir s SER 115 Ca 0.38 1.43 -0.15 0.00 0.70 0.00 0.00 55.95 58.32 1wir s SER 115 Cb -0.17 -2.51 0.14 0.00 -1.71 0.00 0.00 66.02 61.77 1wir s SER 115 CO 0.61 -0.31 0.55 -1.20 1.20 0.00 0.00 173.24 174.10 1wir n SER 116 N 4.42 -1.76 -2.85 5.45 7.64 -1.26 -4.87 113.62 120.39 1wir n SER 116 Ca 0.05 -1.13 -0.03 0.00 1.01 0.00 0.00 58.87 58.77 1wir n SER 116 Cb 0.50 -2.23 0.01 0.00 -1.01 0.00 0.00 64.21 61.47 1wir n SER 116 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wir s GLY 117 N -3.60 -1.35 1.05 0.23 0.00 -1.25 -5.16 107.32 97.23 1wir s GLY 117 Ca 0.56 -0.08 -0.14 0.00 0.00 0.00 0.00 44.72 45.06 1wir s GLY 117 CO 0.97 3.77 1.10 2.56 0.00 0.00 0.00 173.10 181.49 1wir s PRO 118 N 1.15 0.04 -0.09 2.90 0.04 -1.26 -4.80 135.00 132.97 1wir s PRO 118 Ca 0.25 0.39 -0.26 0.00 0.04 0.00 0.00 61.00 61.42 1wir s PRO 118 Cb 0.01 -1.70 -0.22 0.00 0.04 0.00 0.00 34.50 32.63 1wir s PRO 118 CO -0.07 -2.97 0.90 0.66 0.04 0.00 0.00 177.00 175.57 1wir h SER 119 N -2.06 -0.02 -2.41 6.66 4.64 -2.02 -3.47 113.55 114.88 1wir h SER 119 Ca -0.53 -0.72 -0.56 0.00 -0.47 0.00 0.00 61.79 59.51 1wir h SER 119 Cb 1.33 0.01 -0.14 0.00 -0.31 0.00 0.00 62.40 63.29 1wir h SER 119 CO 0.54 0.74 -0.66 -0.44 -0.87 0.00 0.00 176.83 176.15 1wir s SER 120 N -5.94 3.24 0.00 4.97 0.01 -1.26 -5.33 113.70 109.39 1wir s SER 120 Ca -0.16 -1.25 0.21 0.00 1.31 0.00 0.00 55.95 56.06 1wir s SER 120 Cb -0.01 -0.26 1.27 0.00 0.21 0.00 0.00 66.02 67.23 1wir s SER 120 CO 0.63 -0.35 1.65 0.61 0.41 0.00 0.00 173.24 176.19