#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 6.05 -0.10 1.61 0.01 -1.26 -5.12 113.70 114.89 1wir s SER 2 Ca 0.00 0.05 -0.09 0.00 1.31 0.00 0.00 55.95 57.22 1wir s SER 2 Cb 0.00 -1.53 0.03 0.00 0.21 0.00 0.00 66.02 64.73 1wir s SER 2 CO 0.00 -0.40 0.27 -0.44 0.41 0.00 0.00 173.24 173.08 1wir s SER 3 N -4.13 -0.28 -0.30 2.44 0.01 -1.26 -5.08 113.70 105.11 1wir s SER 3 Ca 0.43 0.55 0.02 0.00 1.31 0.00 0.00 55.95 58.26 1wir s SER 3 Cb -0.10 0.55 0.32 0.00 0.21 0.00 0.00 66.02 67.00 1wir s SER 3 CO 0.33 -0.09 1.42 0.61 0.41 0.00 0.00 173.24 175.91 1wir n GLY 4 N 2.95 -1.88 3.40 3.44 0.00 -1.26 -5.11 105.19 106.73 1wir n GLY 4 Ca -0.13 1.03 -0.44 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.02 6.27 0.29 1.61 0.01 -1.26 -5.03 113.70 115.57 1wir s SER 5 Ca 0.21 -1.47 -0.29 0.00 1.31 0.00 0.00 55.95 55.71 1wir s SER 5 Cb 0.28 -2.34 -0.10 0.00 0.21 0.00 0.00 66.02 64.07 1wir s SER 5 CO -0.19 -1.17 1.37 -0.55 0.41 0.00 0.00 173.24 173.11 1wir s SER 6 N 3.57 6.72 -0.30 2.44 0.15 -1.26 -5.00 113.70 120.02 1wir s SER 6 Ca 0.17 2.67 -0.19 0.00 0.70 0.00 0.00 55.95 59.30 1wir s SER 6 Cb -0.19 -2.64 0.19 0.00 -1.71 0.00 0.00 66.02 61.67 1wir s SER 6 CO 0.04 -0.61 1.28 -0.83 1.20 0.00 0.00 173.24 174.32 1wir s GLY 7 N -0.08 0.23 0.04 9.45 0.00 -1.26 -5.17 107.32 110.53 1wir s GLY 7 Ca 0.54 3.59 0.03 0.00 0.00 0.00 0.00 44.72 48.88 1wir s GLY 7 CO 0.49 3.46 -0.10 -0.54 0.00 0.00 0.00 173.10 176.40 1wir s GLU 8 N 2.17 0.68 0.96 2.90 2.02 -1.26 -5.16 118.70 121.01 1wir s GLU 8 Ca -0.01 -0.70 -0.16 0.00 0.02 0.00 0.00 54.97 54.12 1wir s GLU 8 Cb -0.02 -0.59 0.24 0.00 0.10 0.00 0.00 34.13 33.86 1wir s GLU 8 CO -0.15 0.14 0.85 -0.35 0.02 0.00 0.00 175.26 175.76 1wir n PRO 9 N 1.80 -2.69 -4.27 0.39 -0.04 -1.26 -5.08 135.00 123.85 1wir n PRO 9 Ca -0.20 -1.35 -0.19 0.00 -0.04 0.00 0.00 63.50 61.72 1wir n PRO 9 Cb 0.55 -1.27 -0.15 0.00 -0.04 0.00 0.00 33.50 32.59 1wir n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wir s ALA 10 N -3.00 0.67 0.10 0.55 0.00 -1.26 -5.15 121.76 113.66 1wir s ALA 10 Ca 0.55 -0.25 -0.05 0.00 0.00 0.00 0.00 51.96 52.21 1wir s ALA 10 Cb -0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 1wir s ALA 10 CO 0.42 0.11 0.34 -1.01 0.00 0.00 0.00 175.76 175.62 1wir s HIS 11 N 0.18 3.52 -0.05 0.00 3.76 -1.26 -5.10 115.29 116.34 1wir s HIS 11 Ca -0.02 0.55 0.02 0.00 -0.15 0.00 0.00 55.06 55.45 1wir s HIS 11 Cb -0.07 -1.99 0.02 0.00 1.11 0.00 0.00 32.58 31.65 1wir s HIS 11 CO 0.00 0.50 -0.07 0.20 -0.85 0.00 0.00 174.74 174.52 1wir s GLY 12 N -2.20 0.54 0.37 -2.22 0.00 -1.26 -5.15 107.32 97.40 1wir s GLY 12 Ca 0.36 -0.18 0.07 0.00 0.00 0.00 0.00 44.72 44.98 1wir s GLY 12 CO 0.22 0.27 -0.01 1.09 0.00 0.00 0.00 173.10 174.68 1wir s ARG 13 N 0.73 1.83 -0.27 2.90 3.03 -1.26 -5.06 118.95 120.85 1wir s ARG 13 Ca -0.11 -2.00 -0.32 0.00 2.03 0.00 0.00 55.73 55.32 1wir s ARG 13 Cb -0.14 -1.44 -0.14 0.00 -1.03 0.00 0.00 34.95 32.20 1wir s ARG 13 CO 0.01 -0.03 1.05 0.94 -1.13 0.00 0.00 175.30 176.14 1wir n GLN 14 N -0.84 0.00 -3.60 3.89 7.27 -1.26 -4.91 117.38 117.93 1wir n GLN 14 Ca -0.04 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.94 1wir n GLN 14 Cb 0.66 -1.07 -0.06 0.00 2.41 0.00 0.00 30.24 32.19 1wir n GLN 14 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 1wir s HIS 15 N 1.63 -0.34 -0.07 3.69 3.76 -1.25 -4.50 115.29 118.21 1wir s HIS 15 Ca 0.72 0.65 0.01 0.00 -0.15 0.00 0.00 55.06 56.29 1wir s HIS 15 Cb -1.03 0.44 0.02 0.00 1.11 0.00 0.00 32.58 33.12 1wir s HIS 15 CO 0.54 -0.26 -0.06 -0.08 -0.85 0.00 0.00 174.74 174.03 1wir s THR 16 N -0.72 0.75 0.75 1.30 -1.32 -0.61 -4.77 115.64 111.03 1wir s THR 16 Ca 0.01 -0.20 -0.11 0.00 -1.21 0.00 0.00 61.69 60.18 1wir s THR 16 Cb -0.02 -0.77 0.05 0.00 -1.51 0.00 0.00 72.50 70.25 1wir s THR 16 CO -0.02 0.29 1.10 -2.16 -2.21 0.00 0.00 174.62 171.61 1wir s PRO 17 N 1.22 2.35 0.80 7.08 0.04 -1.26 -1.09 135.00 144.14 1wir s PRO 17 Ca -0.05 1.22 -0.11 0.00 0.04 0.00 0.00 61.00 62.09 1wir s PRO 17 Cb -0.14 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.57 1wir s PRO 17 CO -0.02 -1.58 1.10 0.00 0.04 0.00 0.00 177.00 176.54 1wir h LEU 19 N -1.11 0.44 0.20 0.00 -0.00 -1.95 -3.39 115.31 109.51 1wir h LEU 19 Ca -0.47 -0.88 -0.34 0.00 -0.00 0.00 0.00 57.88 56.19 1wir h LEU 19 Cb 1.27 -0.14 0.02 0.00 -0.00 0.00 0.00 40.66 41.80 1wir h LEU 19 CO 0.59 1.67 -1.62 -0.26 -0.00 0.00 0.00 178.44 178.83 1wir h PHE 20 N -0.19 0.78 -5.13 1.13 0.04 -1.90 -3.43 116.94 108.23 1wir h PHE 20 Ca -0.32 -0.57 -0.62 0.00 2.80 0.00 0.00 57.97 59.26 1wir h PHE 20 Cb 1.85 -0.03 -0.11 0.00 2.20 0.00 0.00 35.95 39.86 1wir h PHE 20 CO 0.12 1.59 -0.43 0.00 -0.60 0.00 0.00 178.31 178.99 1wir n ASP 22 N -1.38 6.95 -4.68 0.00 9.92 -1.26 -3.33 116.55 122.77 1wir n ASP 22 Ca -0.17 -3.80 -0.35 0.00 -0.53 0.00 0.00 54.79 49.93 1wir n ASP 22 Cb 0.61 -0.90 -0.09 0.00 -0.64 0.00 0.00 41.12 40.10 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 -3.91 4.09 0.28 -1.24 0.52 -1.26 -4.78 118.95 112.65 1wir s ARG 23 Ca 0.54 -0.27 -0.11 0.00 -0.52 0.00 0.00 55.73 55.36 1wir s ARG 23 Cb 0.45 -3.39 -0.08 0.00 0.52 0.00 0.00 34.95 32.45 1wir s ARG 23 CO -0.26 0.23 0.64 -0.51 0.02 0.00 0.00 175.30 175.41 1wir s LEU 24 N 0.54 4.09 -0.06 2.53 1.43 -1.26 0.82 118.68 126.78 1wir s LEU 24 Ca 0.06 1.06 -0.02 0.00 -1.03 0.00 0.00 54.13 54.20 1wir s LEU 24 Cb -0.12 -3.85 0.04 0.00 0.03 0.00 0.00 46.19 42.29 1wir s LEU 24 CO 0.00 -0.16 0.12 -0.36 0.23 0.00 0.00 176.35 176.18 1wir s PHE 25 N -1.95 -0.12 0.16 0.29 0.40 -0.25 -4.89 117.98 111.62 1wir s PHE 25 Ca 0.50 0.42 -0.19 0.00 -0.60 0.00 0.00 56.93 57.06 1wir s PHE 25 Cb -0.11 -0.15 0.08 0.00 0.51 0.00 0.00 43.02 43.36 1wir s PHE 25 CO 0.21 -0.16 1.22 0.00 0.70 0.00 0.00 175.22 177.19 1wir n ALA 26 N 4.36 -0.28 -2.58 5.36 0.00 -1.26 -1.58 120.51 124.53 1wir n ALA 26 Ca -0.24 0.74 -0.26 0.00 0.00 0.00 0.00 53.44 53.67 1wir n ALA 26 Cb 0.51 -0.24 -0.10 0.00 0.00 0.00 0.00 19.45 19.61 1wir n ALA 26 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wir s SER 27 N -5.33 3.37 0.04 0.00 0.01 -1.26 -3.94 113.70 106.58 1wir s SER 27 Ca -0.10 -1.42 -0.30 0.00 1.31 0.00 0.00 55.95 55.44 1wir s SER 27 Cb 0.13 -0.15 -0.17 0.00 0.21 0.00 0.00 66.02 66.04 1wir s SER 27 CO 0.53 -0.57 1.37 0.00 0.41 0.00 0.00 173.24 174.98 1wir h ALA 28 N 1.83 -0.87 -0.86 1.44 0.00 -1.84 -3.04 119.26 115.92 1wir h ALA 28 Ca -0.42 -0.21 0.28 0.00 0.00 0.00 0.00 54.91 54.55 1wir h ALA 28 Cb 1.25 0.34 -0.16 0.00 0.00 0.00 0.00 17.79 19.22 1wir h ALA 28 CO 0.75 -0.91 0.16 0.39 0.00 0.00 0.00 179.25 179.64 1wir n GLU 29 N -5.41 -0.06 0.19 0.00 1.02 -1.26 0.01 120.64 115.13 1wir n GLU 29 Ca -0.13 1.25 -0.17 0.00 -0.02 0.00 0.00 57.16 58.09 1wir n GLU 29 Cb 0.37 -2.07 -0.10 0.00 -0.02 0.00 0.00 31.44 29.62 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 -0.84 -0.08 3.49 3.07 -1.91 -1.78 114.58 116.53 1wir h GLU 30 Ca 0.59 0.06 0.02 0.00 -0.50 0.00 0.00 59.36 59.53 1wir h GLU 30 Cb 1.34 0.19 -0.06 0.00 -0.84 0.00 0.00 28.75 29.39 1wir h GLU 30 CO -0.76 -0.56 -0.50 1.15 -1.40 0.00 0.00 179.01 176.94 1wir h THR 31 N -0.87 0.00 -0.57 1.13 2.02 -0.45 -0.77 112.91 113.40 1wir h THR 31 Ca -0.03 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.20 1wir h THR 31 Cb 0.82 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.15 1wir h THR 31 CO -0.20 0.00 -0.39 -0.26 0.37 0.00 0.00 175.52 175.04 1wir h PHE 32 N -0.57 -1.25 -0.84 3.16 0.04 -1.31 0.29 116.94 116.46 1wir h PHE 32 Ca 0.02 0.08 0.19 0.00 2.80 0.00 0.00 57.97 61.06 1wir h PHE 32 Cb 0.64 0.62 -0.12 0.00 2.20 0.00 0.00 35.95 39.29 1wir h PHE 32 CO -0.55 -0.27 0.32 1.03 -0.60 0.00 0.00 178.31 178.24 1wir h SER 33 N -0.07 0.24 -0.78 2.17 0.87 -1.02 0.18 113.55 115.14 1wir h SER 33 Ca 0.09 0.15 0.02 0.00 -1.23 0.00 0.00 61.79 60.82 1wir h SER 33 Cb 0.31 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.37 1wir h SER 33 CO -0.57 0.01 0.50 -0.74 -0.53 0.00 0.00 176.83 175.50 1wir h HIS 34 N 0.38 0.94 -0.21 2.24 -0.00 0.96 -1.80 115.15 117.67 1wir h HIS 34 Ca 0.50 0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.79 1wir h HIS 34 Cb 0.89 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.98 1wir h HIS 34 CO -0.18 0.56 -0.33 0.00 -0.00 0.00 0.00 177.93 177.98 1wir h LYS 36 N 0.37 0.00 0.02 0.00 1.57 -0.28 1.97 116.57 120.22 1wir h LYS 36 Ca 0.04 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.46 1wir h LYS 36 Cb 0.76 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.02 1wir h LYS 36 CO 0.06 0.08 -2.08 1.28 -0.57 0.00 0.00 179.45 178.23 1wir n LEU 37 N -3.24 2.25 -0.01 2.94 4.77 -0.75 -3.72 117.00 119.24 1wir n LEU 37 Ca -0.00 0.25 -0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1wir n LEU 37 Cb 0.32 -0.93 -0.00 0.00 -2.33 0.00 0.00 43.42 40.48 1wir n LEU 37 CO 0.29 0.61 -0.03 -0.33 -1.33 0.00 0.00 177.39 176.60 1wir h GLU 38 N -0.62 0.00 0.00 3.23 4.39 -0.71 -3.37 114.58 117.50 1wir h GLU 38 Ca -0.53 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1wir h GLU 38 Cb 1.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.31 1wir h GLU 38 CO -0.21 0.00 0.00 0.72 -1.16 0.00 0.00 179.01 178.36 1wir n HIS 39 N -2.55 0.00 -2.80 4.33 8.25 0.26 -4.84 115.22 117.87 1wir n HIS 39 Ca -0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 1wir n HIS 39 Cb 0.02 0.00 -0.03 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 -0.71 -1.72 -4.25 -0.41 10.64 0.64 -4.83 117.38 116.76 1wir n GLN 40 Ca 0.08 0.05 -0.34 0.00 -1.83 0.00 0.00 57.00 54.95 1wir n GLN 40 Cb 0.04 -3.43 -0.14 0.00 -0.86 0.00 0.00 30.24 25.84 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 -2.03 2.92 -0.09 2.61 5.36 -0.26 -4.86 117.98 121.62 1wir s PHE 41 Ca 0.29 -0.78 -0.13 0.00 -0.96 0.00 0.00 56.93 55.35 1wir s PHE 41 Cb -0.17 -2.00 -0.05 0.00 -0.34 0.00 0.00 43.02 40.47 1wir s PHE 41 CO 0.35 -0.38 0.31 1.21 -1.46 0.00 0.00 175.22 175.25 1wir s ASN 42 N 0.97 6.58 -0.04 6.13 3.84 -1.26 -3.29 114.94 127.85 1wir s ASN 42 Ca -0.01 0.68 0.02 0.00 0.21 0.00 0.00 52.86 53.77 1wir s ASN 42 Cb -0.15 -2.19 -0.25 0.00 -0.55 0.00 0.00 41.25 38.12 1wir s ASN 42 CO 0.00 0.26 0.66 -0.29 -2.79 0.00 0.00 177.10 174.94 1wir h ILE 43 N 4.15 0.91 -0.60 -5.21 6.09 -1.99 -3.37 117.51 117.48 1wir h ILE 43 Ca -0.48 -2.66 0.02 0.00 -1.37 0.00 0.00 64.86 60.37 1wir h ILE 43 Cb 1.20 2.56 -0.04 0.00 0.47 0.00 0.00 36.82 41.01 1wir h ILE 43 CO 0.66 0.72 0.38 0.44 -3.07 0.00 0.00 178.15 177.28 1wir h ASP 44 N 0.04 0.62 -0.98 2.19 3.32 -2.01 -2.10 116.42 117.50 1wir h ASP 44 Ca -0.30 -0.00 0.17 0.00 0.02 0.00 0.00 57.03 56.92 1wir h ASP 44 Cb 2.01 -0.14 -0.09 0.00 0.22 0.00 0.00 39.33 41.33 1wir h ASP 44 CO 0.11 0.44 0.61 0.77 -1.72 0.00 0.00 179.24 179.45 1wir h SER 45 N 0.75 0.76 0.59 6.45 4.64 -2.00 -2.18 113.55 122.55 1wir h SER 45 Ca 0.24 0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.60 1wir h SER 45 Cb -0.00 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1wir h SER 45 CO -0.09 0.33 -0.29 0.24 -0.87 0.00 0.00 176.83 176.15 1wir h MET 46 N 0.77 -0.77 -1.00 4.77 2.86 -1.55 0.50 114.93 120.52 1wir h MET 46 Ca 0.53 0.05 0.36 0.00 -2.06 0.00 0.00 59.70 58.58 1wir h MET 46 Cb 0.81 0.17 -0.16 0.00 0.06 0.00 0.00 31.60 32.48 1wir h MET 46 CO -0.30 -0.47 0.55 0.28 1.06 0.00 0.00 176.91 178.03 1wir h VAL 47 N -0.94 0.17 0.14 -2.22 2.07 -1.21 0.49 116.25 114.75 1wir h VAL 47 Ca -0.08 -0.06 -0.31 0.00 0.82 0.00 0.00 66.70 67.06 1wir h VAL 47 Cb 0.66 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1wir h VAL 47 CO 0.13 0.03 -1.56 0.45 0.02 0.00 0.00 177.57 176.65 1wir h HIS 48 N 0.18 0.53 0.00 1.57 3.86 -1.30 0.21 115.15 120.21 1wir h HIS 48 Ca 0.78 -0.39 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 1wir h HIS 48 Cb 1.91 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.36 1wir h HIS 48 CO -0.02 1.44 0.00 1.17 0.86 0.00 0.00 177.93 181.38 1wir n LYS 49 N -3.49 0.00 -0.49 2.45 0.00 0.17 -3.11 118.16 113.69 1wir n LYS 49 Ca -0.18 0.49 -0.04 0.00 0.00 0.00 0.00 58.31 58.58 1wir n LYS 49 Cb 1.05 -1.48 0.13 0.00 0.00 0.00 0.00 35.03 34.74 1wir n LYS 49 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1wir n HIS 50 N -1.97 1.19 -3.94 5.64 8.25 0.19 -4.90 115.22 119.68 1wir n HIS 50 Ca 0.00 -0.73 -0.31 0.00 -0.26 0.00 0.00 57.72 56.42 1wir n HIS 50 Cb 0.00 -0.43 -0.01 0.00 1.12 0.00 0.00 29.99 30.67 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 0.01 -0.46 3.59 -1.41 0.00 -0.95 -4.74 105.19 101.23 1wir n GLY 51 Ca 0.20 0.21 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 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 -6.61 3.47 1.04 0.99 1.43 0.02 -4.95 118.68 114.08 1wir s LEU 52 Ca 0.27 1.13 -0.17 0.00 -1.03 0.00 0.00 54.13 54.32 1wir s LEU 52 Cb -0.15 -3.32 0.24 0.00 0.03 0.00 0.00 46.19 42.98 1wir s LEU 52 CO 0.69 -1.84 1.28 -1.61 0.23 0.00 0.00 176.35 175.11 1wir s GLU 53 N 5.93 -0.02 0.19 1.70 8.01 -1.26 -4.18 118.70 129.06 1wir s GLU 53 Ca 0.78 -0.39 -0.08 0.00 0.01 0.00 0.00 54.97 55.28 1wir s GLU 53 Cb -0.20 -1.77 0.28 0.00 -4.31 0.00 0.00 34.13 28.13 1wir s GLU 53 CO 0.31 -2.86 1.15 0.34 0.01 0.00 0.00 175.26 174.21 1wir n PHE 54 N -4.08 0.18 -0.05 1.61 -0.00 -1.26 -0.79 117.46 113.06 1wir n PHE 54 Ca 0.16 0.90 -0.17 0.00 -0.00 0.00 0.00 57.45 58.34 1wir n PHE 54 Cb 0.59 -0.87 -0.13 0.00 -0.00 0.00 0.00 39.48 39.07 1wir n PHE 54 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.76 178.64 1wir h TYR 55 N 0.00 0.11 -0.91 -5.13 0.05 -2.00 -3.35 116.97 105.74 1wir h TYR 55 Ca 0.32 -0.08 0.12 0.00 0.05 0.00 0.00 58.73 59.13 1wir h TYR 55 Cb 0.50 -0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.10 1wir h TYR 55 CO -0.60 1.20 -0.42 0.41 -1.05 0.00 0.00 178.16 177.70 1wir n GLY 56 N 1.59 -2.05 0.18 3.88 0.00 0.03 0.12 105.19 108.94 1wir n GLY 56 Ca -0.17 1.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.86 1wir n GLY 56 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1wir h TYR 57 N 0.00 -0.16 -0.95 1.61 3.20 -1.24 -0.55 116.97 118.88 1wir h TYR 57 Ca 0.26 0.04 0.25 0.00 3.14 0.00 0.00 58.73 62.41 1wir h TYR 57 Cb 0.48 0.14 -0.13 0.00 1.54 0.00 0.00 36.73 38.76 1wir h TYR 57 CO -0.85 -0.16 0.47 0.82 -1.64 0.00 0.00 178.16 176.80 1wir h ILE 58 N 0.04 0.44 -0.47 1.81 2.04 -0.45 0.44 117.51 121.36 1wir h ILE 58 Ca 0.22 -0.14 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 1wir h ILE 58 Cb 0.33 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1wir h ILE 58 CO -0.43 0.08 -0.03 0.11 0.00 0.00 0.00 178.15 177.87 1wir h LYS 59 N 0.42 0.80 -0.27 2.37 1.57 -0.65 -2.66 116.57 118.15 1wir h LYS 59 Ca 0.62 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 59.18 1wir h LYS 59 Cb 1.24 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1wir h LYS 59 CO -0.54 0.83 0.13 1.25 -0.57 0.00 0.00 179.45 180.55 1wir h LEU 60 N 0.74 0.20 0.24 2.94 7.12 0.25 0.28 115.31 127.09 1wir h LEU 60 Ca 0.14 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.15 1wir h LEU 60 Cb 0.50 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.60 1wir h LEU 60 CO 0.03 0.15 -0.12 0.40 -0.13 0.00 0.00 178.44 178.77 1wir h ILE 61 N 0.28 0.00 -1.00 4.05 1.08 -1.29 -3.03 117.51 117.60 1wir h ILE 61 Ca 0.11 -0.01 0.22 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 -0.07 0.00 0.61 0.78 -0.69 0.00 0.00 178.15 178.78 1wir h ASN 62 N -0.34 0.70 -0.52 1.72 2.35 -1.51 -1.87 115.58 116.11 1wir h ASN 62 Ca -0.03 0.11 0.07 0.00 -0.55 0.00 0.00 56.30 55.89 1wir h ASN 62 Cb 0.25 -0.01 -0.10 0.00 0.05 0.00 0.00 38.32 38.51 1wir h ASN 62 CO 0.06 0.20 -0.50 0.15 -1.65 0.00 0.00 177.43 175.68 1wir h PHE 63 N 0.66 -1.50 0.00 1.19 3.57 -0.35 0.44 116.94 120.94 1wir h PHE 63 Ca 0.60 0.08 -0.02 0.00 3.53 0.00 0.00 57.97 62.17 1wir h PHE 63 Cb 1.08 0.73 -0.00 0.00 2.79 0.00 0.00 35.95 40.54 1wir h PHE 63 CO -0.00 -0.45 -0.07 0.82 -2.23 0.00 0.00 178.31 176.37 1wir h ILE 64 N -0.30 0.95 -0.35 1.41 2.04 -1.23 0.20 117.51 120.23 1wir h ILE 64 Ca 0.13 -0.26 -0.11 0.00 1.00 0.00 0.00 64.86 65.62 1wir h ILE 64 Cb 0.57 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1wir h ILE 64 CO -0.66 0.07 -0.22 0.03 0.00 0.00 0.00 178.15 177.38 1wir h ARG 65 N 0.00 0.68 0.00 2.37 2.47 0.03 0.48 114.38 120.41 1wir h ARG 65 Ca -0.00 -0.26 -0.08 0.00 -1.26 0.00 0.00 59.98 58.38 1wir h ARG 65 Cb 0.14 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 1wir h ARG 65 CO 0.01 0.85 -0.56 1.25 0.56 0.00 0.00 179.97 182.08 1wir h LEU 66 N 0.60 0.00 0.26 3.04 6.46 -0.06 -3.41 115.31 122.20 1wir h LEU 66 Ca 0.09 -0.38 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 1wir h LEU 66 Cb 0.70 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1wir h LEU 66 CO 0.05 1.01 -0.12 0.11 -0.62 0.00 0.00 178.44 178.86 1wir h LYS 67 N -1.00 -0.33 -3.38 1.25 1.79 -0.74 -3.49 116.57 110.67 1wir h LYS 67 Ca -0.12 0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 58.25 1wir h LYS 67 Cb 0.79 0.08 0.06 0.00 -1.58 0.00 0.00 32.23 31.58 1wir h LYS 67 CO -0.07 -0.00 -0.29 -1.71 -1.08 0.00 0.00 179.45 176.29 1wir n ASN 68 N -5.02 -2.04 -2.80 0.86 2.85 0.17 -5.03 115.26 104.25 1wir n ASN 68 Ca -0.08 -0.23 0.00 0.00 -0.11 0.00 0.00 54.58 54.16 1wir n ASN 68 Cb 0.25 -2.26 0.00 0.00 1.24 0.00 0.00 39.78 39.01 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 -2.19 -0.43 -4.50 1.20 -0.04 -1.26 -5.06 135.00 122.72 1wir n PRO 69 Ca -0.11 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.06 1wir n PRO 69 Cb 0.56 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.71 2.20 0.10 0.52 -1.32 -1.26 -4.91 115.64 110.27 1wir s THR 70 Ca 0.00 -1.66 -0.19 0.00 -1.21 0.00 0.00 61.69 58.62 1wir s THR 70 Cb 0.00 -1.94 -0.04 0.00 -1.51 0.00 0.00 72.50 69.01 1wir s THR 70 CO 0.00 0.15 1.27 0.52 -2.21 0.00 0.00 174.62 174.34 1wir n VAL 71 N 1.12 -0.42 -0.23 5.08 0.31 -1.26 0.38 118.33 123.31 1wir n VAL 71 Ca -0.18 1.97 0.15 0.00 -0.01 0.00 0.00 64.34 66.27 1wir n VAL 71 Cb 0.53 -2.48 0.28 0.00 -0.91 0.00 0.00 33.84 31.26 1wir n VAL 71 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1wir n GLU 72 N -4.42 -0.05 0.06 5.55 2.13 -1.26 0.80 120.64 123.44 1wir n GLU 72 Ca 0.01 1.00 -0.11 0.00 0.66 0.00 0.00 57.16 58.72 1wir n GLU 72 Cb 0.16 -1.67 -0.08 0.00 0.27 0.00 0.00 31.44 30.12 1wir n GLU 72 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 1wir h TYR 73 N 0.00 -0.20 -1.37 4.31 3.20 -0.40 -3.03 116.97 119.47 1wir h TYR 73 Ca 0.48 -0.00 0.42 0.00 3.14 0.00 0.00 58.73 62.77 1wir h TYR 73 Cb 1.13 0.07 -0.10 0.00 1.54 0.00 0.00 36.73 39.36 1wir h TYR 73 CO -0.22 0.24 0.92 0.52 -1.64 0.00 0.00 178.16 177.99 1wir h MET 74 N -0.80 0.10 -0.01 1.82 2.86 0.14 1.58 114.93 120.61 1wir h MET 74 Ca -0.02 -0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.43 1wir h MET 74 Cb 0.53 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1wir h MET 74 CO 0.04 0.07 -0.81 -0.91 1.06 0.00 0.00 176.91 176.36 1wir h ASN 75 N 0.10 0.21 -3.50 1.22 2.35 -1.20 -3.37 115.58 111.40 1wir h ASN 75 Ca 0.78 -0.16 -0.77 0.00 -0.55 0.00 0.00 56.30 55.59 1wir h ASN 75 Cb 2.59 -0.07 -0.30 0.00 0.05 0.00 0.00 38.32 40.59 1wir h ASN 75 CO -0.28 0.93 0.27 -0.44 -1.65 0.00 0.00 177.43 176.26 1wir s SER 76 N -6.90 6.89 0.20 5.81 0.01 0.54 -5.02 113.70 115.23 1wir s SER 76 Ca -0.03 -3.62 0.10 0.00 1.31 0.00 0.00 55.95 53.71 1wir s SER 76 Cb 0.11 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.18 1wir s SER 76 CO 0.81 -0.26 -0.20 -0.63 0.41 0.00 0.00 173.24 173.37 1wir s ILE 77 N -1.27 2.13 0.21 1.44 1.01 -1.24 -4.86 121.20 118.62 1wir s ILE 77 Ca 0.29 -2.08 -0.04 0.00 0.00 0.00 0.00 60.65 58.82 1wir s ILE 77 Cb -0.09 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 1wir s ILE 77 CO -0.09 -0.29 0.22 -0.72 0.00 0.00 0.00 174.94 174.05 1wir s TYR 78 N -2.09 0.95 -0.09 3.97 1.13 -1.26 -5.11 117.35 114.86 1wir s TYR 78 Ca 0.21 -1.21 -0.06 0.00 -1.41 0.00 0.00 57.07 54.60 1wir s TYR 78 Cb -0.06 -0.37 -0.04 0.00 -1.10 0.00 0.00 41.96 40.39 1wir s TYR 78 CO 0.09 -0.73 0.15 1.21 -2.51 0.00 0.00 175.55 173.77 1wir s ASN 79 N -3.12 6.37 0.37 -0.18 2.47 -1.26 -2.54 114.94 117.05 1wir s ASN 79 Ca 0.34 0.43 -0.27 0.00 0.42 0.00 0.00 52.86 53.79 1wir s ASN 79 Cb 0.05 -2.04 -0.09 0.00 -1.45 0.00 0.00 41.25 37.72 1wir s ASN 79 CO 0.11 0.37 1.20 -2.16 -3.72 0.00 0.00 177.10 172.90 1wir s PRO 80 N -1.28 4.19 0.67 0.43 0.04 -1.26 -5.12 135.00 132.66 1wir s PRO 80 Ca 0.18 1.95 -0.17 0.00 0.04 0.00 0.00 61.00 63.00 1wir s PRO 80 Cb -0.12 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.59 1wir s PRO 80 CO 0.08 -0.24 1.22 0.14 0.04 0.00 0.00 177.00 178.25 1wir s VAL 81 N -1.31 2.38 -2.00 -0.36 -7.23 -1.05 -4.87 120.40 105.96 1wir s VAL 81 Ca 0.54 0.21 0.12 0.00 -1.81 0.00 0.00 61.98 61.04 1wir s VAL 81 Cb -0.34 -2.93 0.34 0.00 0.56 0.00 0.00 36.38 34.01 1wir s VAL 81 CO 0.43 -0.07 1.15 -0.81 -0.31 0.00 0.00 175.10 175.48 1wir n PRO 82 N -2.18 0.48 -0.09 4.82 -0.04 -1.26 -1.95 135.00 134.78 1wir n PRO 82 Ca 0.14 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.68 1wir n PRO 82 Cb 0.50 -1.39 0.11 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.89 0.00 -0.17 0.54 2.14 -1.26 -4.75 117.44 113.05 1wir n TRP 83 Ca 0.09 -0.85 -0.09 0.00 2.07 0.00 0.00 57.50 58.72 1wir n TRP 83 Cb 0.04 -0.13 0.04 0.00 -0.81 0.00 0.00 31.31 30.45 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 -1.20 1.43 -4.29 -2.67 -0.58 -0.82 -4.72 120.64 107.78 1wir n GLU 84 Ca 0.13 -0.92 -0.33 0.00 -0.42 0.00 0.00 57.16 55.62 1wir n GLU 84 Cb 0.59 -1.36 -0.09 0.00 -0.57 0.00 0.00 31.44 30.01 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 -1.04 2.84 0.24 3.49 -0.14 -1.26 -5.02 119.74 118.85 1wir s LYS 85 Ca 0.18 -0.56 -0.05 0.00 -1.36 0.00 0.00 55.97 54.18 1wir s LYS 85 Cb 0.14 -2.70 0.25 0.00 -1.68 0.00 0.00 37.83 33.84 1wir s LYS 85 CO 0.02 0.64 1.75 0.22 -0.76 0.00 0.00 175.35 177.21 1wir h ASP 86 N 4.48 0.90 -0.97 2.83 3.58 -2.02 -2.74 116.42 122.48 1wir h ASP 86 Ca -0.49 -0.20 0.15 0.00 0.42 0.00 0.00 57.03 56.90 1wir h ASP 86 Cb 1.18 -0.24 -0.09 0.00 1.72 0.00 0.00 39.33 41.91 1wir h ASP 86 CO 0.57 0.91 0.61 -0.33 -2.88 0.00 0.00 179.24 178.12 1wir h GLU 87 N 0.89 0.79 -0.90 0.28 5.08 -1.97 -0.01 114.58 118.75 1wir h GLU 87 Ca 0.18 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 1wir h GLU 87 Cb 0.41 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 1wir h GLU 87 CO 0.01 0.52 0.58 1.88 -1.00 0.00 0.00 179.01 181.01 1wir h TYR 88 N 0.82 1.03 -1.02 4.33 0.05 -1.83 -2.13 116.97 118.22 1wir h TYR 88 Ca 0.50 0.03 0.41 0.00 0.05 0.00 0.00 58.73 59.72 1wir h TYR 88 Cb 0.70 -0.34 -0.18 0.00 1.01 0.00 0.00 36.73 37.93 1wir h TYR 88 CO -0.00 0.53 0.56 -0.07 -1.05 0.00 0.00 178.16 178.12 1wir h LEU 89 N 1.00 0.33 -9.85 3.88 3.38 -1.07 -3.39 115.31 109.60 1wir h LEU 89 Ca 0.39 0.25 -0.52 0.00 0.09 0.00 0.00 57.88 58.09 1wir h LEU 89 Cb 0.22 0.25 0.06 0.00 0.09 0.00 0.00 40.66 41.28 1wir h LEU 89 CO -0.15 -0.41 0.62 -0.54 0.09 0.00 0.00 178.44 178.06 1wir s LYS 90 N -5.52 4.39 -0.34 1.13 1.02 -0.80 -4.90 119.74 114.72 1wir s LYS 90 Ca -0.09 2.16 -0.29 0.00 0.02 0.00 0.00 55.97 57.77 1wir s LYS 90 Cb 0.34 -3.10 -0.01 0.00 -0.52 0.00 0.00 37.83 34.54 1wir s LYS 90 CO 0.78 -0.15 1.69 -1.25 -0.92 0.00 0.00 175.35 175.50 1wir s PRO 91 N -1.56 3.44 0.47 -1.68 0.04 -1.26 -4.87 135.00 129.57 1wir s PRO 91 Ca 0.49 1.34 0.17 0.00 0.04 0.00 0.00 61.00 63.05 1wir s PRO 91 Cb -0.39 -4.14 1.16 0.00 0.04 0.00 0.00 34.50 31.18 1wir s PRO 91 CO 0.50 -1.73 2.01 0.28 0.04 0.00 0.00 177.00 178.10 1wir h VAL 92 N 6.67 0.87 -4.65 -0.36 2.07 -1.90 -3.43 116.25 115.53 1wir h VAL 92 Ca -0.32 -0.08 -0.27 0.00 0.82 0.00 0.00 66.70 66.85 1wir h VAL 92 Cb 1.15 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1wir h VAL 92 CO 1.04 0.04 -0.16 0.18 0.02 0.00 0.00 177.57 178.69 1wir n LEU 93 N -4.46 0.00 -4.62 2.57 4.32 -1.26 -5.09 117.00 108.46 1wir n LEU 93 Ca 0.08 -1.31 -0.31 0.00 -0.02 0.00 0.00 56.01 54.44 1wir n LEU 93 Cb 0.39 0.06 -0.10 0.00 -1.62 0.00 0.00 43.42 42.15 1wir n LEU 93 CO 0.35 -0.31 -0.37 -0.70 -1.22 0.00 0.00 177.39 175.14 1wir s GLU 94 N -2.90 2.51 -1.47 3.23 2.56 -1.26 -4.61 118.70 116.77 1wir s GLU 94 Ca 0.07 -0.78 -0.07 0.00 0.00 0.00 0.00 54.97 54.19 1wir s GLU 94 Cb -0.01 -2.50 0.05 0.00 2.00 0.00 0.00 34.13 33.68 1wir s GLU 94 CO 0.05 0.58 0.71 -3.47 -0.56 0.00 0.00 175.26 172.56 1wir n ASP 95 N 1.19 -2.27 -4.66 -1.70 2.03 -1.26 -4.85 116.55 105.04 1wir n ASP 95 Ca -0.14 -0.90 -0.42 0.00 0.52 0.00 0.00 54.79 53.85 1wir n ASP 95 Cb 0.52 -3.48 -0.03 0.00 -0.72 0.00 0.00 41.12 37.41 1wir n ASP 95 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1wir s ASP 96 N -3.89 6.59 0.15 1.67 1.47 -1.26 -4.85 116.67 116.54 1wir s ASP 96 Ca 0.31 2.38 0.14 0.00 1.18 0.00 0.00 52.55 56.56 1wir s ASP 96 Cb -0.16 -2.53 -0.08 0.00 -0.34 0.00 0.00 42.92 39.81 1wir s ASP 96 CO 0.86 -0.97 1.15 -0.07 0.68 0.00 0.00 175.17 176.82 1wir h LEU 97 N 10.37 0.00 -0.99 2.11 3.38 -1.88 -3.22 115.31 125.08 1wir h LEU 97 Ca -0.43 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.44 1wir h LEU 97 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1wir h LEU 97 CO 0.95 0.67 -0.48 -0.07 0.09 0.00 0.00 178.44 179.60 1wir h LEU 98 N 0.00 0.06 -0.01 1.67 3.38 -1.96 -2.12 115.31 116.33 1wir h LEU 98 Ca -0.08 -0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.65 1wir h LEU 98 Cb 1.58 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 42.34 1wir h LEU 98 CO 0.07 0.53 -0.83 -0.07 0.09 0.00 0.00 178.44 178.24 1wir h LEU 99 N 0.04 0.74 -0.02 1.67 4.07 -1.96 -3.12 115.31 116.72 1wir h LEU 99 Ca -0.00 -0.74 0.00 0.00 0.08 0.00 0.00 57.88 57.22 1wir h LEU 99 Cb 0.87 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.39 1wir h LEU 99 CO 0.07 1.39 0.00 0.00 -1.08 0.00 0.00 178.44 178.81 1wir n GLN 100 N -4.03 0.01 -1.63 1.13 -0.00 -1.18 -4.84 117.38 106.83 1wir n GLN 100 Ca -0.11 0.16 -0.43 0.00 -0.00 0.00 0.00 57.00 56.62 1wir n GLN 100 Cb 0.78 -1.52 -0.00 0.00 -0.00 0.00 0.00 30.24 29.50 1wir n GLN 100 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1wir n PHE 101 N -1.54 1.60 -2.47 2.61 7.35 -0.80 -4.83 117.46 119.37 1wir n PHE 101 Ca 0.05 0.61 -0.40 0.00 -0.76 0.00 0.00 57.45 56.95 1wir n PHE 101 Cb 0.24 -2.30 -0.02 0.00 0.35 0.00 0.00 39.48 37.75 1wir n PHE 101 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1wir s ASP 102 N -0.52 6.42 0.47 -2.13 -1.08 -1.26 -4.76 116.67 113.80 1wir s ASP 102 Ca 0.59 -2.08 0.18 0.00 -0.52 0.00 0.00 52.55 50.72 1wir s ASP 102 Cb -0.61 -2.58 1.13 0.00 -1.46 0.00 0.00 42.92 39.39 1wir s ASP 102 CO 0.60 -1.60 2.01 1.62 0.52 0.00 0.00 175.17 178.32 1wir h VAL 103 N 5.95 0.97 -0.83 1.11 3.04 -1.92 -2.86 116.25 121.71 1wir h VAL 103 Ca 0.35 -0.63 0.20 0.00 -1.01 0.00 0.00 66.70 65.61 1wir h VAL 103 Cb 0.91 1.36 -0.12 0.00 -2.01 0.00 0.00 31.29 31.42 1wir h VAL 103 CO 1.41 0.17 0.28 -0.33 -1.01 0.00 0.00 177.57 178.08 1wir h GLU 104 N 0.00 0.30 -1.10 4.17 5.08 -1.95 0.44 114.58 121.52 1wir h GLU 104 Ca -0.00 -0.02 0.31 0.00 -1.00 0.00 0.00 59.36 58.65 1wir h GLU 104 Cb 0.34 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 1wir h GLU 104 CO 0.02 0.20 0.77 0.22 -1.00 0.00 0.00 179.01 179.23 1wir h ASP 105 N 0.31 0.09 -0.70 1.42 3.58 -1.92 0.36 116.42 119.57 1wir h ASP 105 Ca 0.50 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.89 1wir h ASP 105 Cb 0.93 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.95 1wir h ASP 105 CO -0.55 0.02 0.15 -0.07 -2.88 0.00 0.00 179.24 175.91 1wir h LEU 106 N 0.08 1.08 -9.10 2.28 3.38 -0.31 -3.41 115.31 109.31 1wir h LEU 106 Ca 0.54 -0.24 -0.56 0.00 0.09 0.00 0.00 57.88 57.71 1wir h LEU 106 Cb 1.99 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 1wir h LEU 106 CO -0.07 1.04 1.20 -0.31 0.09 0.00 0.00 178.44 180.39 1wir s TYR 107 N -5.27 1.83 -0.83 1.13 2.02 0.13 -4.94 117.35 111.41 1wir s TYR 107 Ca -0.12 0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.95 1wir s TYR 107 Cb 0.15 -4.01 0.21 0.00 -0.40 0.00 0.00 41.96 37.91 1wir s TYR 107 CO 0.85 -3.59 0.71 -0.85 -1.57 0.00 0.00 175.55 171.11 1wir n GLU 108 N 7.76 2.43 -1.23 -0.62 0.28 -1.26 -5.02 120.64 122.98 1wir n GLU 108 Ca 0.20 -4.50 -0.30 0.00 -0.16 0.00 0.00 57.16 52.40 1wir n GLU 108 Cb 0.44 -2.37 0.11 0.00 1.43 0.00 0.00 31.44 31.06 1wir n GLU 108 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1wir s PRO 109 N -1.51 1.85 -1.00 3.44 0.04 -1.26 -4.99 135.00 131.56 1wir s PRO 109 Ca 0.28 1.03 -0.04 0.00 0.04 0.00 0.00 61.00 62.30 1wir s PRO 109 Cb -0.05 -1.86 0.26 0.00 0.04 0.00 0.00 34.50 32.90 1wir s PRO 109 CO -0.13 -1.89 1.05 0.28 0.04 0.00 0.00 177.00 176.34 1wir n VAL 110 N -3.67 4.02 -3.62 -0.36 0.31 -1.26 -4.97 118.33 108.78 1wir n VAL 110 Ca 0.08 -5.38 -0.06 0.00 -0.01 0.00 0.00 64.34 58.97 1wir n VAL 110 Cb 0.54 -2.39 -0.05 0.00 -0.91 0.00 0.00 33.84 31.03 1wir n VAL 110 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1wir s SER 111 N -0.04 -0.18 -0.34 4.52 0.15 -1.26 -5.14 113.70 111.40 1wir s SER 111 Ca 0.30 0.21 -0.04 0.00 0.70 0.00 0.00 55.95 57.12 1wir s SER 111 Cb -0.05 0.16 0.06 0.00 -1.71 0.00 0.00 66.02 64.48 1wir s SER 111 CO -0.06 -0.16 0.09 0.42 1.20 0.00 0.00 173.24 174.73 1wir s THR 112 N -1.00 3.44 -0.01 6.45 -4.23 -1.26 -4.98 115.64 114.04 1wir s THR 112 Ca 0.04 -1.40 -0.25 0.00 -1.18 0.00 0.00 61.69 58.90 1wir s THR 112 Cb -0.01 -3.04 -0.19 0.00 1.34 0.00 0.00 72.50 70.60 1wir s THR 112 CO -0.04 -0.26 1.28 1.55 -0.54 0.00 0.00 174.62 176.60 1wir h PRO 113 N 8.12 0.05 -2.89 3.99 0.13 -2.02 -3.47 132.00 135.92 1wir h PRO 113 Ca -0.21 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.80 1wir h PRO 113 Cb 1.07 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.01 1wir h PRO 113 CO 0.60 0.52 -0.17 -0.59 -0.23 0.00 0.00 178.00 178.14 1wir s PHE 114 N -4.26 -0.27 -1.19 1.56 -0.12 -1.26 -5.09 117.98 107.35 1wir s PHE 114 Ca -0.16 0.37 -0.16 0.00 -0.05 0.00 0.00 56.93 56.93 1wir s PHE 114 Cb 0.02 0.17 0.14 0.00 -0.63 0.00 0.00 43.02 42.72 1wir s PHE 114 CO 0.69 -0.47 1.47 0.45 -0.05 0.00 0.00 175.22 177.31 1wir s SER 115 N -1.50 6.94 0.12 1.98 0.15 -1.26 -4.94 113.70 115.19 1wir s SER 115 Ca -0.11 -2.69 -0.02 0.00 0.70 0.00 0.00 55.95 53.83 1wir s SER 115 Cb -0.03 -2.45 -0.03 0.00 -1.71 0.00 0.00 66.02 61.79 1wir s SER 115 CO 0.03 -0.92 0.07 -0.55 1.20 0.00 0.00 173.24 173.08 1wir s SER 116 N 3.35 0.31 0.00 5.45 0.15 -1.26 -5.11 113.70 116.58 1wir s SER 116 Ca 0.44 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 55.99 1wir s SER 116 Cb -0.01 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1wir s SER 116 CO 0.00 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1wir n GLY 117 N -0.06 -1.91 3.77 9.45 0.00 -1.26 -5.16 105.19 110.01 1wir n GLY 117 Ca -0.08 0.89 -0.37 0.00 0.00 0.00 0.00 46.02 46.46 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 3.77 -0.09 1.61 0.04 -1.26 -5.05 135.00 134.03 1wir s PRO 118 Ca 0.00 1.78 0.03 0.00 0.04 0.00 0.00 61.00 62.85 1wir s PRO 118 Cb 0.00 -2.42 0.01 0.00 0.04 0.00 0.00 34.50 32.13 1wir s PRO 118 CO 0.00 -0.54 -0.17 -1.54 0.04 0.00 0.00 177.00 174.79 1wir s SER 119 N -1.34 2.38 -0.66 6.66 1.04 -1.26 -5.09 113.70 115.43 1wir s SER 119 Ca 0.63 -0.42 -0.03 0.00 0.48 0.00 0.00 55.95 56.61 1wir s SER 119 Cb -0.29 -1.08 0.17 0.00 0.10 0.00 0.00 66.02 64.92 1wir s SER 119 CO 0.35 0.06 0.48 -0.55 0.98 0.00 0.00 173.24 174.57 1wir s SER 120 N 0.68 5.34 0.00 7.02 0.15 -1.26 -5.38 113.70 120.24 1wir s SER 120 Ca -0.13 -2.95 0.00 0.00 0.70 0.00 0.00 55.95 53.57 1wir s SER 120 Cb -0.16 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 1wir s SER 120 CO 0.03 -0.35 0.02 0.61 1.20 0.00 0.00 173.24 174.75