#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wir h SER 2 N 0.00 -0.22 -2.59 1.61 0.87 -2.12 -3.40 113.55 107.70 1wir h SER 2 Ca 0.00 0.25 -0.60 0.00 -1.23 0.00 0.00 61.79 60.21 1wir h SER 2 Cb 0.00 0.39 0.10 0.00 -0.44 0.00 0.00 62.40 62.45 1wir h SER 2 CO 0.00 -0.31 0.37 -0.24 -0.53 0.00 0.00 176.83 176.12 1wir n SER 3 N -5.38 2.02 0.00 6.23 2.88 -1.26 -4.82 113.62 113.29 1wir n SER 3 Ca 0.25 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.96 1wir n SER 3 Cb 0.82 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 1wir n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wir n GLY 4 N 1.56 0.01 3.64 0.46 0.00 -1.26 -5.14 105.19 104.45 1wir n GLY 4 Ca 0.10 0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1wir n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wir s SER 5 N 0.00 5.99 0.22 1.61 0.01 -1.26 -5.05 113.70 115.21 1wir s SER 5 Ca 0.00 0.08 -0.22 0.00 1.31 0.00 0.00 55.95 57.13 1wir s SER 5 Cb 0.00 -2.08 0.07 0.00 0.21 0.00 0.00 66.02 64.22 1wir s SER 5 CO 0.00 0.07 0.96 -0.94 0.41 0.00 0.00 173.24 173.74 1wir s SER 6 N 1.02 -0.05 0.00 2.44 1.04 -1.26 -5.12 113.70 111.78 1wir s SER 6 Ca 0.07 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1wir s SER 6 Cb -0.14 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1wir s SER 6 CO 0.04 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.75 1wir n GLY 7 N -0.60 1.71 3.99 7.32 0.00 -1.26 -4.95 105.19 111.39 1wir n GLY 7 Ca -0.05 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.17 0.00 1.61 -0.58 -1.26 -4.79 120.64 112.44 1wir n GLU 8 Ca 0.00 0.39 0.06 0.00 -0.42 0.00 0.00 57.16 57.18 1wir n GLU 8 Cb 0.00 -4.51 0.33 0.00 -0.57 0.00 0.00 31.44 26.69 1wir n GLU 8 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1wir n PRO 9 N -4.41 0.49 -1.01 3.49 -0.04 -1.26 -4.89 135.00 127.37 1wir n PRO 9 Ca -0.29 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.83 1wir n PRO 9 Cb 0.68 -1.36 -0.02 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.86 -2.37 -2.03 0.55 0.00 -1.26 -4.88 120.51 109.67 1wir n ALA 10 Ca 0.08 0.31 -0.38 0.00 0.00 0.00 0.00 53.44 53.45 1wir n ALA 10 Cb 0.04 -1.16 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 1wir n ALA 10 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1wir s HIS 11 N -0.75 3.81 0.00 0.00 -3.43 -1.26 -5.02 115.29 108.64 1wir s HIS 11 Ca 0.46 1.54 0.00 0.00 -0.80 0.00 0.00 55.06 56.26 1wir s HIS 11 Cb -0.66 -2.71 0.00 0.00 -1.43 0.00 0.00 32.58 27.78 1wir s HIS 11 CO 0.41 0.45 0.00 0.41 -2.00 0.00 0.00 174.74 174.01 1wir n GLY 12 N 1.28 1.83 0.00 -1.38 0.00 -1.26 -5.05 105.19 100.61 1wir n GLY 12 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1wir n GLY 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wir n ARG 13 N 0.00 0.37 -3.53 1.61 0.63 -1.26 -4.98 116.66 109.50 1wir n ARG 13 Ca 0.00 -0.29 -0.42 0.00 -0.92 0.00 0.00 57.85 56.22 1wir n ARG 13 Cb 0.00 -0.77 -0.10 0.00 0.45 0.00 0.00 32.46 32.05 1wir n ARG 13 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 1wir s GLN 14 N -0.14 2.79 0.01 -0.14 -2.07 -1.26 -5.07 119.66 113.78 1wir s GLN 14 Ca 0.00 -1.30 0.08 0.00 -1.82 0.00 0.00 55.36 52.31 1wir s GLN 14 Cb 0.00 -3.88 -0.03 0.00 -1.09 0.00 0.00 33.01 28.02 1wir s GLN 14 CO 0.00 -0.89 -0.22 -1.01 -1.32 0.00 0.00 175.29 171.84 1wir s HIS 15 N 1.53 2.44 -0.15 9.60 3.76 -1.26 -4.53 115.29 126.69 1wir s HIS 15 Ca 0.03 -0.34 0.01 0.00 -0.15 0.00 0.00 55.06 54.61 1wir s HIS 15 Cb -0.22 -1.47 -0.00 0.00 1.11 0.00 0.00 32.58 32.00 1wir s HIS 15 CO 0.05 0.13 -0.16 -0.08 -0.85 0.00 0.00 174.74 173.83 1wir s THR 16 N -0.78 2.61 1.04 1.30 -1.32 -0.18 -4.84 115.64 113.47 1wir s THR 16 Ca 0.12 -0.79 -0.13 0.00 -1.21 0.00 0.00 61.69 59.67 1wir s THR 16 Cb -0.10 -2.09 0.21 0.00 -1.51 0.00 0.00 72.50 69.01 1wir s THR 16 CO 0.02 0.52 1.09 -2.16 -2.21 0.00 0.00 174.62 171.89 1wir s PRO 17 N 0.74 0.12 0.62 7.08 0.04 -1.26 -1.82 135.00 140.52 1wir s PRO 17 Ca -0.07 0.41 -0.08 0.00 0.04 0.00 0.00 61.00 61.30 1wir s PRO 17 Cb -0.16 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1wir s PRO 17 CO 0.01 -2.92 0.97 0.00 0.04 0.00 0.00 177.00 175.10 1wir h LEU 19 N -0.32 0.28 0.13 0.00 -0.00 -1.92 -3.39 115.31 110.09 1wir h LEU 19 Ca -0.45 -0.86 -0.17 0.00 -0.00 0.00 0.00 57.88 56.40 1wir h LEU 19 Cb 1.24 -0.09 0.02 0.00 -0.00 0.00 0.00 40.66 41.83 1wir h LEU 19 CO 0.62 1.43 -0.76 -0.26 -0.00 0.00 0.00 178.44 179.48 1wir h PHE 20 N -0.54 0.52 -4.96 1.13 0.04 -1.90 -3.42 116.94 107.80 1wir h PHE 20 Ca -0.21 -0.37 -0.34 0.00 2.80 0.00 0.00 57.97 59.84 1wir h PHE 20 Cb 1.53 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 39.62 1wir h PHE 20 CO 0.17 1.28 -0.18 0.00 -0.60 0.00 0.00 178.31 178.98 1wir n ASP 22 N -1.75 6.42 -4.66 0.00 9.92 -1.26 -3.50 116.55 121.73 1wir n ASP 22 Ca -0.04 -3.78 -0.39 0.00 -0.53 0.00 0.00 54.79 50.05 1wir n ASP 22 Cb 0.36 -0.73 -0.07 0.00 -0.64 0.00 0.00 41.12 40.04 1wir n ASP 22 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1wir s ARG 23 N -3.77 4.19 0.08 -1.24 0.52 -1.26 -4.77 118.95 112.70 1wir s ARG 23 Ca 0.56 0.44 -0.22 0.00 -0.52 0.00 0.00 55.73 55.99 1wir s ARG 23 Cb 0.45 -3.57 -0.07 0.00 0.52 0.00 0.00 34.95 32.29 1wir s ARG 23 CO -0.10 -0.18 0.65 -0.51 0.02 0.00 0.00 175.30 175.19 1wir s LEU 24 N 1.72 4.51 -0.02 2.53 1.43 -1.26 -0.51 118.68 127.08 1wir s LEU 24 Ca 0.25 1.37 0.02 0.00 -1.03 0.00 0.00 54.13 54.73 1wir s LEU 24 Cb -0.15 -3.05 0.01 0.00 0.03 0.00 0.00 46.19 43.02 1wir s LEU 24 CO 0.10 0.19 -0.06 -0.36 0.23 0.00 0.00 176.35 176.45 1wir s PHE 25 N -0.81 0.65 0.18 0.29 0.40 -0.76 -4.94 117.98 112.99 1wir s PHE 25 Ca 0.32 -0.14 -0.26 0.00 -0.60 0.00 0.00 56.93 56.25 1wir s PHE 25 Cb -0.20 -0.49 0.03 0.00 0.51 0.00 0.00 43.02 42.87 1wir s PHE 25 CO 0.21 -0.08 1.55 0.00 0.70 0.00 0.00 175.22 177.60 1wir h ALA 26 N 6.43 -0.33 -1.39 5.36 0.00 -1.87 -0.44 119.26 127.02 1wir h ALA 26 Ca -0.33 0.15 -0.60 0.00 0.00 0.00 0.00 54.91 54.13 1wir h ALA 26 Cb 1.17 1.17 -0.13 0.00 0.00 0.00 0.00 17.79 20.00 1wir h ALA 26 CO 0.49 -0.85 -0.57 -1.12 0.00 0.00 0.00 179.25 177.20 1wir s SER 27 N -5.35 3.51 0.03 0.00 0.01 -1.26 -4.05 113.70 106.58 1wir s SER 27 Ca -0.13 -1.48 -0.27 0.00 1.31 0.00 0.00 55.95 55.37 1wir s SER 27 Cb 0.14 0.01 -0.17 0.00 0.21 0.00 0.00 66.02 66.22 1wir s SER 27 CO 0.65 -0.64 1.30 0.00 0.41 0.00 0.00 173.24 174.96 1wir h ALA 28 N 1.73 -0.70 -0.76 1.44 0.00 -1.91 -3.10 119.26 115.97 1wir h ALA 28 Ca -0.42 -0.19 0.23 0.00 0.00 0.00 0.00 54.91 54.53 1wir h ALA 28 Cb 1.26 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 19.18 1wir h ALA 28 CO 0.74 -0.77 0.10 0.39 0.00 0.00 0.00 179.25 179.71 1wir n GLU 29 N -5.30 -0.06 0.17 0.00 1.02 -1.26 0.10 120.64 115.31 1wir n GLU 29 Ca -0.11 1.11 -0.14 0.00 -0.02 0.00 0.00 57.16 58.00 1wir n GLU 29 Cb 0.32 -1.82 -0.07 0.00 -0.02 0.00 0.00 31.44 29.86 1wir n GLU 29 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wir h GLU 30 N 0.00 -0.50 0.36 3.49 3.07 -1.94 -2.01 114.58 117.05 1wir h GLU 30 Ca 0.50 0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1wir h GLU 30 Cb 1.11 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 29.11 1wir h GLU 30 CO -0.68 -0.34 -0.44 1.15 -1.40 0.00 0.00 179.01 177.30 1wir h THR 31 N -0.52 0.12 -0.25 1.13 2.02 0.67 -1.23 112.91 114.84 1wir h THR 31 Ca -0.01 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.20 1wir h THR 31 Cb 0.48 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 1wir h THR 31 CO -0.05 0.00 -0.24 -0.26 0.37 0.00 0.00 175.52 175.34 1wir h PHE 32 N -0.84 -0.75 -0.81 3.16 0.04 -1.24 0.23 116.94 116.73 1wir h PHE 32 Ca -0.03 0.04 0.20 0.00 2.80 0.00 0.00 57.97 60.98 1wir h PHE 32 Cb 0.77 0.36 -0.13 0.00 2.20 0.00 0.00 35.95 39.15 1wir h PHE 32 CO -0.27 -0.19 0.15 1.03 -0.60 0.00 0.00 178.31 178.42 1wir h SER 33 N -0.12 -0.11 -0.75 2.17 0.87 -1.30 0.27 113.55 114.57 1wir h SER 33 Ca 0.04 0.18 0.09 0.00 -1.23 0.00 0.00 61.79 60.88 1wir h SER 33 Cb 0.23 0.28 -0.07 0.00 -0.44 0.00 0.00 62.40 62.39 1wir h SER 33 CO -0.30 -0.13 0.41 -0.74 -0.53 0.00 0.00 176.83 175.53 1wir h HIS 34 N 0.19 0.74 -0.14 2.24 -0.00 0.22 -0.35 115.15 118.05 1wir h HIS 34 Ca 0.47 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.80 1wir h HIS 34 Cb 0.89 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 28.07 1wir h HIS 34 CO -0.32 0.29 -0.22 0.00 -0.00 0.00 0.00 177.93 177.68 1wir h LYS 36 N 0.22 0.00 0.04 0.00 6.56 -0.04 1.95 116.57 125.30 1wir h LYS 36 Ca 0.04 0.00 -0.35 0.00 -1.06 0.00 0.00 60.65 59.28 1wir h LYS 36 Cb 0.53 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.14 1wir h LYS 36 CO 0.04 0.04 -1.98 1.28 -2.06 0.00 0.00 179.45 176.77 1wir n LEU 37 N -3.13 2.34 -0.02 2.94 4.77 -0.63 -3.73 117.00 119.55 1wir n LEU 37 Ca 0.02 0.23 -0.01 0.00 -0.03 0.00 0.00 56.01 56.21 1wir n LEU 37 Cb 0.40 -0.98 -0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1wir n LEU 37 CO 0.30 0.65 -0.10 -0.62 -1.33 0.00 0.00 177.39 176.29 1wir n GLU 38 N -3.87 0.13 0.00 3.23 -0.58 0.37 -4.31 120.64 115.60 1wir n GLU 38 Ca -0.39 0.30 0.05 0.00 -0.42 0.00 0.00 57.16 56.70 1wir n GLU 38 Cb 0.90 -0.99 0.28 0.00 -0.57 0.00 0.00 31.44 31.06 1wir n GLU 38 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1wir n HIS 39 N -2.92 0.00 -2.78 -0.32 8.25 0.11 -4.84 115.22 112.73 1wir n HIS 39 Ca -0.02 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.27 1wir n HIS 39 Cb 0.08 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 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 -0.69 -1.25 -4.64 -0.41 -0.00 0.64 -4.82 117.38 106.21 1wir n GLN 40 Ca 0.07 0.06 -0.33 0.00 -0.00 0.00 0.00 57.00 56.79 1wir n GLN 40 Cb 0.03 -2.73 -0.13 0.00 -0.00 0.00 0.00 30.24 27.41 1wir n GLN 40 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 1wir s PHE 41 N -1.96 2.89 -0.08 2.61 5.36 -0.22 -4.87 117.98 121.71 1wir s PHE 41 Ca 0.34 -0.37 -0.02 0.00 -0.96 0.00 0.00 56.93 55.91 1wir s PHE 41 Cb -0.20 -1.84 -0.03 0.00 -0.34 0.00 0.00 43.02 40.61 1wir s PHE 41 CO 0.41 -0.03 0.02 -0.80 -1.46 0.00 0.00 175.22 173.37 1wir s ASN 42 N 0.06 5.39 -0.05 6.13 0.01 -1.26 -3.39 114.94 121.82 1wir s ASN 42 Ca -0.03 0.18 0.09 0.00 -0.71 0.00 0.00 52.86 52.39 1wir s ASN 42 Cb -0.14 -1.54 -0.24 0.00 0.41 0.00 0.00 41.25 39.74 1wir s ASN 42 CO 0.04 0.38 0.63 -0.29 -1.51 0.00 0.00 177.10 176.34 1wir h ILE 43 N 4.08 0.83 -0.60 0.60 6.09 -1.99 -3.34 117.51 123.17 1wir h ILE 43 Ca -0.51 -2.65 -0.01 0.00 -1.37 0.00 0.00 64.86 60.32 1wir h ILE 43 Cb 1.20 2.45 -0.03 0.00 0.47 0.00 0.00 36.82 40.90 1wir h ILE 43 CO 0.55 0.57 0.35 -0.78 -3.07 0.00 0.00 178.15 175.77 1wir h ASP 44 N 0.01 0.73 -0.58 2.19 1.82 -2.00 -2.23 116.42 116.36 1wir h ASP 44 Ca -0.30 -0.07 0.01 0.00 -0.39 0.00 0.00 57.03 56.27 1wir h ASP 44 Cb 2.01 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 41.81 1wir h ASP 44 CO 0.08 0.59 0.38 -1.28 -1.61 0.00 0.00 179.24 177.40 1wir h SER 45 N 0.81 0.64 -0.59 2.28 0.87 -2.01 -2.42 113.55 113.13 1wir h SER 45 Ca 0.21 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1wir h SER 45 Cb 0.01 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 1wir h SER 45 CO -0.04 0.46 0.38 0.24 -0.53 0.00 0.00 176.83 177.34 1wir h MET 46 N 0.76 0.74 -0.11 2.24 2.86 -1.61 0.32 114.93 120.13 1wir h MET 46 Ca 0.22 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.85 1wir h MET 46 Cb -0.06 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.39 1wir h MET 46 CO -0.06 0.49 -0.10 0.28 1.06 0.00 0.00 176.91 178.57 1wir h VAL 47 N 0.76 0.70 -0.43 -2.22 2.07 -0.99 0.21 116.25 116.36 1wir h VAL 47 Ca 0.23 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.61 1wir h VAL 47 Cb -0.04 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1wir h VAL 47 CO -0.07 0.00 -0.28 0.45 0.02 0.00 0.00 177.57 177.68 1wir h HIS 48 N -0.13 1.08 0.34 1.57 3.86 -1.19 0.23 115.15 120.91 1wir h HIS 48 Ca 0.08 -0.28 -0.02 0.00 -1.16 0.00 0.00 60.37 58.99 1wir h HIS 48 Cb 0.24 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1wir h HIS 48 CO -0.22 1.10 -0.16 -0.22 0.86 0.00 0.00 177.93 179.28 1wir h LYS 49 N 0.79 -0.44 -0.91 2.45 3.64 0.04 -2.98 116.57 119.16 1wir h LYS 49 Ca 0.09 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1wir h LYS 49 Cb 0.86 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1wir h LYS 49 CO 0.08 -0.29 0.01 0.72 -2.27 0.00 0.00 179.45 177.69 1wir n HIS 50 N -3.29 0.51 -3.86 1.91 8.25 0.71 -4.87 115.22 114.58 1wir n HIS 50 Ca -0.06 -0.22 -0.30 0.00 -0.26 0.00 0.00 57.72 56.89 1wir n HIS 50 Cb 0.18 -0.21 -0.07 0.00 1.12 0.00 0.00 29.99 31.01 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 0.15 -0.23 3.66 -1.41 0.00 0.47 -4.74 105.19 103.09 1wir n GLY 51 Ca 0.07 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -6.00 4.41 0.00 0.99 1.43 0.50 -4.98 118.68 115.03 1wir s LEU 52 Ca 0.42 2.63 -0.00 0.00 -1.03 0.00 0.00 54.13 56.14 1wir s LEU 52 Cb -0.24 -3.53 0.07 0.00 0.03 0.00 0.00 46.19 42.52 1wir s LEU 52 CO 0.78 -1.07 0.50 -1.84 0.23 0.00 0.00 176.35 174.96 1wir n GLU 53 N 7.54 0.21 -0.27 1.70 0.28 -1.26 -4.42 120.64 124.43 1wir n GLU 53 Ca 0.20 -1.33 -0.03 0.00 -0.16 0.00 0.00 57.16 55.83 1wir n GLU 53 Cb 0.41 -0.35 -0.00 0.00 1.43 0.00 0.00 31.44 32.93 1wir n GLU 53 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1wir n PHE 54 N -2.15 -0.09 -0.02 -1.84 7.35 -1.26 -0.32 117.46 119.14 1wir n PHE 54 Ca 0.08 0.85 -0.16 0.00 -0.76 0.00 0.00 57.45 57.47 1wir n PHE 54 Cb 0.29 -0.69 -0.12 0.00 0.35 0.00 0.00 39.48 39.32 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 0.31 -1.00 -5.13 0.05 -2.00 -3.31 116.97 105.89 1wir h TYR 55 Ca 0.20 -0.18 0.13 0.00 0.05 0.00 0.00 58.73 58.93 1wir h TYR 55 Cb 0.37 -0.03 -0.14 0.00 1.01 0.00 0.00 36.73 37.93 1wir h TYR 55 CO -0.64 1.01 -0.47 0.78 -1.05 0.00 0.00 178.16 177.78 1wir h GLY 56 N -0.47 -0.31 0.27 3.88 0.00 -0.98 0.42 103.07 105.88 1wir h GLY 56 Ca -0.04 0.64 0.12 0.00 0.00 0.00 0.00 47.33 48.05 1wir h GLY 56 CO 0.06 -0.10 0.30 -1.82 0.00 0.00 0.00 176.54 174.99 1wir h TYR 57 N -0.00 0.52 -0.41 5.60 3.20 -1.14 -1.04 116.97 123.70 1wir h TYR 57 Ca 0.27 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.23 1wir h TYR 57 Cb 0.52 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.61 1wir h TYR 57 CO -0.94 0.11 0.09 0.82 -1.64 0.00 0.00 178.16 176.60 1wir h ILE 58 N 0.48 0.79 -0.63 1.81 2.04 -0.29 -1.90 117.51 119.80 1wir h ILE 58 Ca 0.38 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 66.14 1wir h ILE 58 Cb 0.51 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1wir h ILE 58 CO -0.35 0.04 0.32 0.11 0.00 0.00 0.00 178.15 178.27 1wir h LYS 59 N 0.22 0.90 -0.44 2.37 1.57 -0.26 -1.89 116.57 119.03 1wir h LYS 59 Ca 0.20 -0.12 0.08 0.00 -1.87 0.00 0.00 60.65 58.93 1wir h LYS 59 Cb 0.23 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 1wir h LYS 59 CO -0.25 0.70 0.06 1.25 -0.57 0.00 0.00 179.45 180.64 1wir h LEU 60 N 0.86 -0.06 0.31 2.94 7.12 -0.53 0.48 115.31 126.43 1wir h LEU 60 Ca 0.22 0.09 -0.01 0.00 0.13 0.00 0.00 57.88 58.30 1wir h LEU 60 Cb 0.09 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.35 1wir h LEU 60 CO -0.03 0.00 -0.15 0.40 -0.13 0.00 0.00 178.44 178.54 1wir h ILE 61 N 0.18 0.00 -1.06 4.05 1.08 -1.14 -2.95 117.51 117.67 1wir h ILE 61 Ca 0.22 -0.09 0.28 0.00 -0.39 0.00 0.00 64.86 64.88 1wir h ILE 61 Cb 0.29 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 33.96 1wir h ILE 61 CO -0.31 0.00 0.70 0.78 -0.69 0.00 0.00 178.15 178.63 1wir h ASN 62 N -0.50 0.35 -0.34 1.72 2.35 -1.30 0.56 115.58 118.42 1wir h ASN 62 Ca -0.04 0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.83 1wir h ASN 62 Cb 0.31 0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.65 1wir h ASN 62 CO 0.07 0.06 0.04 0.15 -1.65 0.00 0.00 177.43 176.11 1wir h PHE 63 N 0.31 0.06 0.00 1.19 3.57 0.03 -0.03 116.94 122.07 1wir h PHE 63 Ca 0.58 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 62.08 1wir h PHE 63 Cb 1.65 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 40.41 1wir h PHE 63 CO -0.00 -0.01 -0.11 0.82 -2.23 0.00 0.00 178.31 176.78 1wir h ILE 64 N 0.15 0.37 -0.06 1.41 2.04 -0.72 0.51 117.51 121.21 1wir h ILE 64 Ca 0.16 -0.62 -0.25 0.00 1.00 0.00 0.00 64.86 65.15 1wir h ILE 64 Cb 0.20 1.45 0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1wir h ILE 64 CO -0.24 0.10 -0.93 0.03 0.00 0.00 0.00 178.15 177.12 1wir h ARG 65 N 0.00 0.69 0.00 2.37 2.47 -0.70 -0.52 114.38 118.69 1wir h ARG 65 Ca -0.00 -0.67 -0.02 0.00 -1.26 0.00 0.00 59.98 58.03 1wir h ARG 65 Cb 0.45 0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.94 1wir h ARG 65 CO 0.01 1.27 -0.20 1.25 0.56 0.00 0.00 179.97 182.86 1wir h LEU 66 N 0.42 0.00 0.33 3.04 6.46 -0.89 -3.40 115.31 121.27 1wir h LEU 66 Ca -0.10 -0.26 -0.02 0.00 -0.12 0.00 0.00 57.88 57.39 1wir h LEU 66 Cb 1.57 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.51 1wir h LEU 66 CO 0.18 0.74 -0.16 0.11 -0.62 0.00 0.00 178.44 178.69 1wir h LYS 67 N -1.00 -0.42 -3.70 1.25 1.79 -1.07 -3.48 116.57 109.94 1wir h LYS 67 Ca -0.03 0.03 -0.17 0.00 -2.18 0.00 0.00 60.65 58.30 1wir h LYS 67 Cb 0.42 0.10 0.08 0.00 -1.58 0.00 0.00 32.23 31.24 1wir h LYS 67 CO -0.02 -0.10 -0.37 0.09 -1.08 0.00 0.00 179.45 177.98 1wir n ASN 68 N -5.13 -2.43 -2.99 0.86 4.13 -0.20 -5.04 115.26 104.46 1wir n ASN 68 Ca -0.09 -0.29 0.00 0.00 1.68 0.00 0.00 54.58 55.87 1wir n ASN 68 Cb 0.27 -2.75 0.00 0.00 -1.54 0.00 0.00 39.78 35.76 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 -2.56 -0.06 -4.39 3.52 -0.04 -1.26 -5.05 135.00 125.16 1wir n PRO 69 Ca -0.11 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.07 1wir n PRO 69 Cb 0.57 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.52 2.25 0.28 0.52 -1.32 -1.26 -4.90 115.64 110.68 1wir s THR 70 Ca 0.00 -1.84 -0.07 0.00 -1.21 0.00 0.00 61.69 58.58 1wir s THR 70 Cb 0.00 -2.01 0.42 0.00 -1.51 0.00 0.00 72.50 69.40 1wir s THR 70 CO 0.00 0.01 1.57 0.58 -2.21 0.00 0.00 174.62 174.57 1wir h VAL 71 N 3.66 0.06 -0.20 5.08 2.07 -1.98 0.32 116.25 125.26 1wir h VAL 71 Ca -0.49 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.07 1wir h VAL 71 Cb 1.18 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1wir h VAL 71 CO 0.42 0.00 -0.09 -0.33 0.02 0.00 0.00 177.57 177.60 1wir h GLU 72 N 0.01 -0.05 -0.96 1.57 5.08 -1.96 -1.87 114.58 116.39 1wir h GLU 72 Ca 0.48 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.93 1wir h GLU 72 Cb 0.80 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.99 1wir h GLU 72 CO -0.95 -0.04 0.61 -0.92 -1.00 0.00 0.00 179.01 176.71 1wir h TYR 73 N -0.06 1.12 0.00 4.33 5.03 -0.83 0.11 116.97 126.67 1wir h TYR 73 Ca 0.11 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.45 1wir h TYR 73 Cb 0.22 -0.36 0.00 0.00 1.55 0.00 0.00 36.73 38.14 1wir h TYR 73 CO -0.25 0.54 0.12 -1.33 -1.32 0.00 0.00 178.16 175.91 1wir n MET 74 N -4.57 0.12 -0.78 1.82 2.81 -0.40 0.30 117.12 116.42 1wir n MET 74 Ca 0.16 0.61 0.08 0.00 -1.81 0.00 0.00 57.70 56.73 1wir n MET 74 Cb 0.23 -2.01 0.37 0.00 -0.71 0.00 0.00 33.22 31.10 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 -2.18 5.28 -2.55 7.83 3.02 0.38 -4.34 115.26 122.70 1wir n ASN 75 Ca -0.01 -2.86 -0.09 0.00 -0.03 0.00 0.00 54.58 51.59 1wir n ASN 75 Cb 0.15 -0.64 0.04 0.00 -0.61 0.00 0.00 39.78 38.71 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 0.53 2.74 -4.49 6.41 3.41 0.15 -5.08 113.62 117.29 1wir n SER 76 Ca 0.26 -2.64 -0.29 0.00 -0.26 0.00 0.00 58.87 55.95 1wir n SER 76 Cb 1.10 -0.43 -0.11 0.00 -0.26 0.00 0.00 64.21 64.50 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 -4.08 2.84 -0.28 -1.33 1.09 -1.26 -5.07 121.20 113.10 1wir s ILE 77 Ca 0.35 -1.56 -0.16 0.00 -1.10 0.00 0.00 60.65 58.18 1wir s ILE 77 Cb 0.35 -2.32 0.09 0.00 -1.06 0.00 0.00 42.46 39.53 1wir s ILE 77 CO -0.01 0.06 0.72 -0.31 -0.10 0.00 0.00 174.94 175.30 1wir s TYR 78 N -1.24 -1.03 -0.04 3.97 1.51 -1.26 -5.09 117.35 114.18 1wir s TYR 78 Ca 0.19 2.04 -0.39 0.00 -1.01 0.00 0.00 57.07 57.90 1wir s TYR 78 Cb -0.10 0.61 -0.19 0.00 -0.11 0.00 0.00 41.96 42.17 1wir s TYR 78 CO 0.11 -0.51 1.07 0.27 -1.11 0.00 0.00 175.55 175.37 1wir n ASN 79 N 4.30 0.08 -4.77 2.29 6.94 -1.26 -4.08 115.26 118.76 1wir n ASN 79 Ca -0.20 1.12 -0.36 0.00 -0.02 0.00 0.00 54.58 55.12 1wir n ASN 79 Cb 0.58 -0.88 -0.01 0.00 -2.36 0.00 0.00 39.78 37.12 1wir n ASN 79 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1wir s PRO 80 N 0.23 3.64 0.34 -0.53 0.04 -1.26 -5.15 135.00 132.30 1wir s PRO 80 Ca 0.88 1.72 -0.13 0.00 0.04 0.00 0.00 61.00 63.51 1wir s PRO 80 Cb -1.24 -2.28 -0.08 0.00 0.04 0.00 0.00 34.50 30.94 1wir s PRO 80 CO 0.57 -0.64 0.73 0.14 0.04 0.00 0.00 177.00 177.84 1wir s VAL 81 N -1.62 4.72 -1.78 -0.36 -7.23 -1.26 -4.95 120.40 107.93 1wir s VAL 81 Ca 0.66 0.83 0.15 0.00 -1.81 0.00 0.00 61.98 61.82 1wir s VAL 81 Cb -0.27 -3.64 0.37 0.00 0.56 0.00 0.00 36.38 33.40 1wir s VAL 81 CO 0.32 -0.26 1.37 -0.81 -0.31 0.00 0.00 175.10 175.41 1wir n PRO 82 N -0.57 0.38 -0.27 4.82 -0.04 -1.26 -2.08 135.00 135.97 1wir n PRO 82 Ca 0.03 0.06 0.08 0.00 -0.04 0.00 0.00 63.50 63.63 1wir n PRO 82 Cb 0.53 -1.50 0.18 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 -1.11 0.29 -1.08 0.54 2.14 -1.26 -4.73 117.44 112.22 1wir n TRP 83 Ca 0.10 -1.08 -0.23 0.00 2.07 0.00 0.00 57.50 58.36 1wir n TRP 83 Cb 0.08 -0.22 0.04 0.00 -0.81 0.00 0.00 31.31 30.40 1wir n TRP 83 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1wir n GLU 84 N -1.17 2.11 -4.83 -2.67 -0.58 -0.88 -4.68 120.64 107.94 1wir n GLU 84 Ca 0.19 -2.14 -0.28 0.00 -0.42 0.00 0.00 57.16 54.50 1wir n GLU 84 Cb 0.73 -1.85 -0.15 0.00 -0.57 0.00 0.00 31.44 29.60 1wir n GLU 84 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1wir s LYS 85 N -2.42 1.63 0.11 3.49 -0.14 -1.26 -5.03 119.74 116.12 1wir s LYS 85 Ca 0.43 -1.00 -0.22 0.00 -1.36 0.00 0.00 55.97 53.82 1wir s LYS 85 Cb 0.33 -1.75 -0.08 0.00 -1.68 0.00 0.00 37.83 34.65 1wir s LYS 85 CO -0.03 0.45 1.71 0.38 -0.76 0.00 0.00 175.35 177.10 1wir h ASP 86 N 4.94 -0.18 -0.99 2.83 2.03 -2.02 -2.25 116.42 120.78 1wir h ASP 86 Ca -0.44 0.04 0.39 0.00 -0.73 0.00 0.00 57.03 56.29 1wir h ASP 86 Cb 1.15 0.09 -0.15 0.00 -0.83 0.00 0.00 39.33 39.59 1wir h ASP 86 CO 0.44 -0.08 0.58 -0.62 -1.03 0.00 0.00 179.24 178.52 1wir n GLU 87 N -5.18 -0.05 -0.21 4.15 1.02 -1.26 0.24 120.64 119.35 1wir n GLU 87 Ca -0.05 1.19 -0.08 0.00 -0.02 0.00 0.00 57.16 58.19 1wir n GLU 87 Cb 0.11 -2.19 0.02 0.00 -0.02 0.00 0.00 31.44 29.36 1wir n GLU 87 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1wir h TYR 88 N 0.00 0.98 -1.09 -0.32 0.05 -1.76 -2.85 116.97 111.98 1wir h TYR 88 Ca 0.76 -0.11 0.40 0.00 0.05 0.00 0.00 58.73 59.83 1wir h TYR 88 Cb 2.16 -0.28 -0.16 0.00 1.01 0.00 0.00 36.73 39.46 1wir h TYR 88 CO -0.01 0.83 0.63 -0.07 -1.05 0.00 0.00 178.16 178.49 1wir h LEU 89 N 0.84 0.34 -9.85 3.88 3.38 0.30 -3.39 115.31 110.81 1wir h LEU 89 Ca 0.18 0.21 -0.52 0.00 0.09 0.00 0.00 57.88 57.85 1wir h LEU 89 Cb 0.34 0.20 0.06 0.00 0.09 0.00 0.00 40.66 41.36 1wir h LEU 89 CO 0.00 -0.31 0.65 -0.54 0.09 0.00 0.00 178.44 178.34 1wir s LYS 90 N -5.50 4.35 -0.77 1.13 3.01 -1.08 -4.88 119.74 116.00 1wir s LYS 90 Ca -0.09 2.22 -0.25 0.00 -1.01 0.00 0.00 55.97 56.84 1wir s LYS 90 Cb 0.32 -3.08 -0.04 0.00 -1.01 0.00 0.00 37.83 34.02 1wir s LYS 90 CO 0.79 -0.22 1.91 -1.25 0.51 0.00 0.00 175.35 177.09 1wir s PRO 91 N -1.51 2.59 0.49 -1.68 0.04 -1.26 -4.82 135.00 128.85 1wir s PRO 91 Ca 0.51 0.11 0.39 0.00 0.04 0.00 0.00 61.00 62.05 1wir s PRO 91 Cb -0.40 -4.76 1.58 0.00 0.04 0.00 0.00 34.50 30.96 1wir s PRO 91 CO 0.51 -3.09 1.60 0.28 0.04 0.00 0.00 177.00 176.34 1wir h VAL 92 N 7.09 0.06 -4.90 -0.36 2.07 -1.89 -3.40 116.25 114.93 1wir h VAL 92 Ca -0.06 -0.01 -0.32 0.00 0.82 0.00 0.00 66.70 67.13 1wir h VAL 92 Cb 1.07 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1wir h VAL 92 CO 1.21 0.00 -0.18 0.18 0.02 0.00 0.00 177.57 178.81 1wir n LEU 93 N -4.37 0.00 -4.72 2.57 4.32 -1.26 -5.09 117.00 108.44 1wir n LEU 93 Ca 0.40 -1.59 -0.32 0.00 -0.02 0.00 0.00 56.01 54.48 1wir n LEU 93 Cb 1.70 0.03 -0.08 0.00 -1.62 0.00 0.00 43.42 43.45 1wir n LEU 93 CO 0.31 -0.39 -0.30 -0.70 -1.22 0.00 0.00 177.39 175.10 1wir s GLU 94 N -3.16 2.85 -1.43 3.23 2.12 -1.26 -4.58 118.70 116.47 1wir s GLU 94 Ca 0.13 -0.61 -0.01 0.00 0.36 0.00 0.00 54.97 54.84 1wir s GLU 94 Cb -0.01 -2.72 0.01 0.00 0.26 0.00 0.00 34.13 31.67 1wir s GLU 94 CO 0.08 0.61 0.38 -3.47 -0.54 0.00 0.00 175.26 172.32 1wir n ASP 95 N 1.13 -0.23 -4.63 -1.70 -0.08 -1.26 -4.82 116.55 104.96 1wir n ASP 95 Ca -0.13 -1.04 -0.43 0.00 -1.51 0.00 0.00 54.79 51.68 1wir n ASP 95 Cb 0.52 -2.87 -0.03 0.00 2.34 0.00 0.00 41.12 41.09 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 -4.34 6.25 0.04 1.67 1.11 -1.26 -4.87 116.67 115.26 1wir s ASP 96 Ca 0.02 1.72 -0.18 0.00 0.18 0.00 0.00 52.55 54.29 1wir s ASP 96 Cb -0.01 -2.53 -0.17 0.00 1.07 0.00 0.00 42.92 41.27 1wir s ASP 96 CO 0.90 -1.35 1.24 -0.07 1.18 0.00 0.00 175.17 177.08 1wir h LEU 97 N 12.09 0.57 -0.07 1.23 3.38 -1.90 -3.23 115.31 127.38 1wir h LEU 97 Ca -0.36 -0.62 0.04 0.00 0.09 0.00 0.00 57.88 57.03 1wir h LEU 97 Cb 1.17 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 1wir h LEU 97 CO 0.99 1.09 -0.33 -0.07 0.09 0.00 0.00 178.44 180.21 1wir h LEU 98 N 0.08 -1.02 -1.93 1.67 3.38 -1.96 0.14 115.31 115.66 1wir h LEU 98 Ca -0.02 0.14 0.16 0.00 0.09 0.00 0.00 57.88 58.25 1wir h LEU 98 Cb 1.05 0.42 -0.02 0.00 0.09 0.00 0.00 40.66 42.20 1wir h LEU 98 CO 0.09 -0.38 0.52 -0.07 0.09 0.00 0.00 178.44 178.69 1wir h LEU 99 N -0.45 0.00 0.08 1.67 4.07 -1.96 0.34 115.31 119.07 1wir h LEU 99 Ca 0.08 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.78 1wir h LEU 99 Cb 0.56 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 1wir h LEU 99 CO -0.32 0.00 -1.24 1.56 -1.08 0.00 0.00 178.44 177.37 1wir h GLN 100 N 0.00 0.17 -5.75 1.13 4.20 -0.82 -3.47 115.11 110.57 1wir h GLN 100 Ca 0.26 -0.29 -0.77 0.00 0.06 0.00 0.00 58.65 57.91 1wir h GLN 100 Cb 1.31 0.11 0.04 0.00 0.30 0.00 0.00 27.48 29.24 1wir h GLN 100 CO -0.00 1.10 0.14 0.34 -0.67 0.00 0.00 178.83 179.74 1wir n PHE 101 N -3.44 0.76 -2.03 2.96 -0.00 0.12 -4.71 117.46 111.12 1wir n PHE 101 Ca -0.07 1.03 -0.27 0.00 -0.00 0.00 0.00 57.45 58.14 1wir n PHE 101 Cb 1.00 -2.02 -0.06 0.00 -0.00 0.00 0.00 39.48 38.40 1wir n PHE 101 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 1wir s ASP 102 N 0.39 4.97 0.62 -2.13 1.47 -1.26 -4.74 116.67 116.00 1wir s ASP 102 Ca 0.89 -1.26 0.32 0.00 1.18 0.00 0.00 52.55 53.69 1wir s ASP 102 Cb -1.25 -2.58 1.81 0.00 -0.34 0.00 0.00 42.92 40.56 1wir s ASP 102 CO 0.58 -3.05 2.11 1.62 0.68 0.00 0.00 175.17 177.10 1wir h VAL 103 N 6.61 0.26 -0.74 2.11 3.04 -1.93 -1.79 116.25 123.82 1wir h VAL 103 Ca 0.16 0.00 0.11 0.00 -1.01 0.00 0.00 66.70 65.96 1wir h VAL 103 Cb 0.97 0.83 -0.08 0.00 -2.01 0.00 0.00 31.29 30.99 1wir h VAL 103 CO 1.21 0.00 0.35 -0.33 -1.01 0.00 0.00 177.57 177.79 1wir h GLU 104 N 0.00 0.56 -1.17 4.17 5.08 -1.96 0.02 114.58 121.28 1wir h GLU 104 Ca 0.05 -0.03 0.33 0.00 -1.00 0.00 0.00 59.36 58.71 1wir h GLU 104 Cb 0.45 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.50 1wir h GLU 104 CO -0.00 0.37 0.81 -0.44 -1.00 0.00 0.00 179.01 178.74 1wir h ASP 105 N 0.57 0.18 -0.61 1.42 3.32 -1.73 0.59 116.42 120.17 1wir h ASP 105 Ca 0.38 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.46 1wir h ASP 105 Cb 0.46 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 1wir h ASP 105 CO -0.31 0.01 0.36 -0.07 -1.72 0.00 0.00 179.24 177.51 1wir h LEU 106 N 0.15 0.75 -8.95 1.55 3.38 -1.17 -3.40 115.31 107.62 1wir h LEU 106 Ca 0.61 -0.05 -0.57 0.00 0.09 0.00 0.00 57.88 57.97 1wir h LEU 106 Cb 2.07 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 42.59 1wir h LEU 106 CO -0.15 0.59 1.05 -0.31 0.09 0.00 0.00 178.44 179.71 1wir s TYR 107 N -5.61 2.43 -0.14 1.13 2.02 0.21 -5.00 117.35 112.38 1wir s TYR 107 Ca -0.10 0.73 -0.00 0.00 -0.37 0.00 0.00 57.07 57.32 1wir s TYR 107 Cb 0.17 -4.00 -0.01 0.00 -0.40 0.00 0.00 41.96 37.71 1wir s TYR 107 CO 0.77 -2.18 -0.13 -1.83 -1.57 0.00 0.00 175.55 170.62 1wir s GLU 108 N 4.51 3.38 0.43 -0.62 -1.05 -1.26 -5.03 118.70 119.06 1wir s GLU 108 Ca 0.63 -0.68 -0.24 0.00 -0.15 0.00 0.00 54.97 54.52 1wir s GLU 108 Cb -0.19 -2.66 -0.08 0.00 -0.44 0.00 0.00 34.13 30.77 1wir s GLU 108 CO 0.27 0.17 1.18 -1.25 0.95 0.00 0.00 175.26 176.58 1wir s PRO 109 N 0.45 3.88 -0.82 -4.83 0.04 -1.26 -4.96 135.00 127.51 1wir s PRO 109 Ca -0.09 1.82 -0.25 0.00 0.04 0.00 0.00 61.00 62.52 1wir s PRO 109 Cb -0.16 -2.53 0.04 0.00 0.04 0.00 0.00 34.50 31.89 1wir s PRO 109 CO 0.05 -0.46 1.31 0.08 0.04 0.00 0.00 177.00 178.01 1wir s VAL 110 N -1.48 3.84 -0.28 -0.36 1.01 -1.26 -4.93 120.40 116.95 1wir s VAL 110 Ca 0.61 -0.03 -0.25 0.00 0.00 0.00 0.00 61.98 62.31 1wir s VAL 110 Cb -0.30 -4.94 0.10 0.00 0.00 0.00 0.00 36.38 31.24 1wir s VAL 110 CO 0.37 -1.85 0.89 -0.55 0.00 0.00 0.00 175.10 173.96 1wir s SER 111 N 4.10 -0.59 -0.38 3.32 0.15 -1.26 -5.13 113.70 113.91 1wir s SER 111 Ca 0.37 1.13 0.03 0.00 0.70 0.00 0.00 55.95 58.19 1wir s SER 111 Cb -0.06 1.15 0.11 0.00 -1.71 0.00 0.00 66.02 65.51 1wir s SER 111 CO 0.07 -0.20 0.12 0.42 1.20 0.00 0.00 173.24 174.86 1wir s THR 112 N 0.30 1.98 -1.41 6.45 -4.23 -1.26 -4.95 115.64 112.52 1wir s THR 112 Ca 0.02 -2.40 0.15 0.00 -1.18 0.00 0.00 61.69 58.28 1wir s THR 112 Cb -0.05 -2.44 0.25 0.00 1.34 0.00 0.00 72.50 71.60 1wir s THR 112 CO -0.03 -0.69 1.41 -0.81 -0.54 0.00 0.00 174.62 173.96 1wir n PRO 113 N 4.05 0.20 -4.01 3.99 -0.04 -1.26 -4.71 135.00 133.22 1wir n PRO 113 Ca 0.04 0.15 -0.09 0.00 -0.04 0.00 0.00 63.50 63.55 1wir n PRO 113 Cb 0.39 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 1wir n PRO 113 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1wir s PHE 114 N -2.59 0.35 -0.10 0.54 5.36 -1.26 -5.15 117.98 115.12 1wir s PHE 114 Ca 0.14 -0.60 -0.04 0.00 -0.96 0.00 0.00 56.93 55.46 1wir s PHE 114 Cb 0.10 -0.24 0.05 0.00 -0.34 0.00 0.00 43.02 42.59 1wir s PHE 114 CO 0.23 -0.20 0.21 -1.54 -1.46 0.00 0.00 175.22 172.45 1wir s SER 115 N -1.69 0.38 0.22 6.13 1.04 -1.26 -5.16 113.70 113.36 1wir s SER 115 Ca -0.12 0.45 -0.04 0.00 0.48 0.00 0.00 55.95 56.72 1wir s SER 115 Cb -0.07 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.43 1wir s SER 115 CO -0.02 -0.22 0.46 -0.44 0.98 0.00 0.00 173.24 173.99 1wir s SER 116 N 2.08 6.45 -0.44 7.02 0.01 -1.26 -5.05 113.70 122.51 1wir s SER 116 Ca -0.01 0.59 0.05 0.00 1.31 0.00 0.00 55.95 57.89 1wir s SER 116 Cb -0.12 -2.09 0.29 0.00 0.21 0.00 0.00 66.02 64.31 1wir s SER 116 CO -0.07 -0.08 1.09 0.61 0.41 0.00 0.00 173.24 175.20 1wir n GLY 117 N -0.56 -0.04 2.45 3.44 0.00 -1.26 -5.16 105.19 104.06 1wir n GLY 117 Ca -0.03 0.25 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 1wir n GLY 117 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wir n PRO 118 N 0.90 -2.51 -3.05 1.61 -0.04 -1.26 -5.04 135.00 125.62 1wir n PRO 118 Ca 0.05 -1.22 -0.29 0.00 -0.04 0.00 0.00 63.50 62.00 1wir n PRO 118 Cb 0.68 -1.14 -0.03 0.00 -0.04 0.00 0.00 33.50 32.97 1wir n PRO 118 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wir s SER 119 N -3.57 6.45 0.03 3.54 0.01 -1.26 -5.10 113.70 113.79 1wir s SER 119 Ca 0.50 0.91 -0.13 0.00 1.31 0.00 0.00 55.95 58.54 1wir s SER 119 Cb -0.05 -2.23 0.02 0.00 0.21 0.00 0.00 66.02 63.97 1wir s SER 119 CO 0.38 -0.33 0.27 -0.55 0.41 0.00 0.00 173.24 173.42 1wir s SER 120 N -3.32 -0.10 0.00 2.44 0.15 -1.26 -5.34 113.70 106.27 1wir s SER 120 Ca 0.47 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1wir s SER 120 Cb -0.10 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1wir s SER 120 CO 0.33 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.83