#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 5.99 0.13 1.61 1.04 -1.26 -4.95 113.70 116.26 1wir s SER 2 Ca 0.00 2.27 0.12 0.00 0.48 0.00 0.00 55.95 58.83 1wir s SER 2 Cb 0.00 -2.60 -0.11 0.00 0.10 0.00 0.00 66.02 63.41 1wir s SER 2 CO 0.00 -1.04 1.14 0.77 0.98 0.00 0.00 173.24 175.09 1wir h SER 3 N 1.73 0.00 -3.41 7.02 4.64 -2.13 -3.50 113.55 117.89 1wir h SER 3 Ca -0.50 0.00 0.28 0.00 -0.47 0.00 0.00 61.79 61.10 1wir h SER 3 Cb 1.25 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.19 1wir h SER 3 CO 0.59 0.75 -1.16 0.61 -0.87 0.00 0.00 176.83 176.75 1wir n GLY 4 N 1.35 -3.18 3.69 -0.77 0.00 -1.26 -4.76 105.19 100.26 1wir n GLY 4 Ca -0.04 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 1wir n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wir s SER 5 N -6.89 7.04 0.09 1.61 1.04 -1.26 -5.04 113.70 110.28 1wir s SER 5 Ca 0.00 1.26 -0.18 0.00 0.48 0.00 0.00 55.95 57.52 1wir s SER 5 Cb 0.00 -2.46 -0.07 0.00 0.10 0.00 0.00 66.02 63.59 1wir s SER 5 CO 0.00 -0.28 0.55 -0.94 0.98 0.00 0.00 173.24 173.56 1wir s SER 6 N 1.01 6.98 0.00 7.02 1.04 -1.26 -5.08 113.70 123.40 1wir s SER 6 Ca 0.40 1.19 -0.07 0.00 0.48 0.00 0.00 55.95 57.96 1wir s SER 6 Cb -0.18 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1wir s SER 6 CO 0.17 0.23 0.13 -0.83 0.98 0.00 0.00 173.24 173.91 1wir s GLY 7 N -1.29 0.05 -0.20 7.32 0.00 -1.26 -5.15 107.32 106.79 1wir s GLY 7 Ca 0.31 -0.15 -0.07 0.00 0.00 0.00 0.00 44.72 44.82 1wir s GLY 7 CO 0.19 -0.28 0.42 1.85 0.00 0.00 0.00 173.10 175.28 1wir s GLU 8 N -1.35 0.33 -0.48 2.90 2.12 -1.26 -5.11 118.70 115.85 1wir s GLU 8 Ca -0.14 1.03 -0.27 0.00 0.36 0.00 0.00 54.97 55.94 1wir s GLU 8 Cb -0.08 0.32 -0.02 0.00 0.26 0.00 0.00 34.13 34.62 1wir s GLU 8 CO 0.01 -0.24 1.78 -1.25 -0.54 0.00 0.00 175.26 175.02 1wir s PRO 9 N 2.54 3.01 0.93 4.30 0.04 -1.26 -4.96 135.00 139.59 1wir s PRO 9 Ca -0.02 0.96 -0.16 0.00 0.04 0.00 0.00 61.00 61.81 1wir s PRO 9 Cb -0.12 -4.27 -0.09 0.00 0.04 0.00 0.00 34.50 30.06 1wir s PRO 9 CO -0.13 -2.27 -0.34 0.00 0.04 0.00 0.00 177.00 174.31 1wir n ALA 10 N 11.36 -4.27 -0.28 8.56 0.00 -1.26 -4.85 120.51 129.77 1wir n ALA 10 Ca 0.21 -0.58 -0.06 0.00 0.00 0.00 0.00 53.44 53.01 1wir n ALA 10 Cb 0.50 -1.38 0.06 0.00 0.00 0.00 0.00 19.45 18.62 1wir n ALA 10 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1wir h HIS 11 N -1.02 1.12 0.00 0.00 2.07 -2.09 -3.49 115.15 111.75 1wir h HIS 11 Ca -0.44 -0.07 0.00 0.00 -2.85 0.00 0.00 60.37 57.01 1wir h HIS 11 Cb 1.31 -0.34 0.00 0.00 2.57 0.00 0.00 27.41 30.95 1wir h HIS 11 CO 0.27 0.84 0.00 0.41 -3.07 0.00 0.00 177.93 176.37 1wir n GLY 12 N -0.93 -0.54 3.72 6.13 0.00 -1.26 -5.00 105.19 107.31 1wir n GLY 12 Ca 0.07 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.10 2.67 -0.37 1.61 6.06 -1.26 -5.03 118.95 120.52 1wir s ARG 13 Ca 0.00 -0.79 -0.42 0.00 -2.50 0.00 0.00 55.73 52.02 1wir s ARG 13 Cb 0.00 -2.60 -0.17 0.00 0.06 0.00 0.00 34.95 32.24 1wir s ARG 13 CO 0.00 0.55 1.78 0.94 -2.50 0.00 0.00 175.30 176.06 1wir n GLN 14 N 0.50 0.72 -3.59 5.12 7.27 -1.26 -4.92 117.38 121.21 1wir n GLN 14 Ca -0.10 0.25 -0.14 0.00 0.07 0.00 0.00 57.00 57.09 1wir n GLN 14 Cb 0.52 -1.91 -0.07 0.00 2.41 0.00 0.00 30.24 31.20 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 3.92 -0.65 -0.12 3.69 3.76 -1.26 -4.49 115.29 120.14 1wir s HIS 15 Ca 1.03 1.43 0.01 0.00 -0.15 0.00 0.00 55.06 57.38 1wir s HIS 15 Cb -1.22 0.35 0.02 0.00 1.11 0.00 0.00 32.58 32.84 1wir s HIS 15 CO 0.69 -0.42 -0.15 -0.08 -0.85 0.00 0.00 174.74 173.93 1wir s THR 16 N -0.26 1.53 0.72 1.30 -1.32 0.21 -4.82 115.64 113.00 1wir s THR 16 Ca -0.03 -0.65 -0.13 0.00 -1.21 0.00 0.00 61.69 59.68 1wir s THR 16 Cb -0.03 -1.40 0.03 0.00 -1.51 0.00 0.00 72.50 69.59 1wir s THR 16 CO 0.02 0.45 1.10 -2.16 -2.21 0.00 0.00 174.62 171.82 1wir s PRO 17 N 1.09 2.51 0.61 7.08 0.04 -1.26 -1.19 135.00 143.88 1wir s PRO 17 Ca -0.04 1.27 -0.15 0.00 0.04 0.00 0.00 61.00 62.12 1wir s PRO 17 Cb -0.14 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 1wir s PRO 17 CO -0.03 -1.46 1.05 0.00 0.04 0.00 0.00 177.00 176.60 1wir h LEU 19 N 0.20 0.52 0.04 0.00 -0.00 -1.92 -3.37 115.31 110.77 1wir h LEU 19 Ca -0.46 -0.80 -0.07 0.00 -0.00 0.00 0.00 57.88 56.55 1wir h LEU 19 Cb 1.22 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 1wir h LEU 19 CO 0.57 1.26 -0.32 -0.26 -0.00 0.00 0.00 178.44 179.69 1wir h PHE 20 N -0.16 0.16 -5.22 1.13 0.04 -1.87 -3.42 116.94 107.59 1wir h PHE 20 Ca -0.09 -0.11 -0.37 0.00 2.80 0.00 0.00 57.97 60.19 1wir h PHE 20 Cb 1.38 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.50 1wir h PHE 20 CO 0.16 1.12 -0.17 0.00 -0.60 0.00 0.00 178.31 178.82 1wir n ASP 22 N -1.91 6.67 -4.64 0.00 8.00 -1.26 -3.35 116.55 120.05 1wir n ASP 22 Ca -0.01 -3.79 -0.38 0.00 0.71 0.00 0.00 54.79 51.32 1wir n ASP 22 Cb 0.41 -0.81 -0.08 0.00 -0.02 0.00 0.00 41.12 40.61 1wir n ASP 22 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1wir s ARG 23 N -3.83 4.10 0.19 -1.24 0.52 -1.26 -4.76 118.95 112.66 1wir s ARG 23 Ca 0.55 0.06 -0.22 0.00 -0.52 0.00 0.00 55.73 55.60 1wir s ARG 23 Cb 0.45 -3.58 -0.08 0.00 0.52 0.00 0.00 34.95 32.26 1wir s ARG 23 CO -0.17 -0.11 0.74 -0.51 0.02 0.00 0.00 175.30 175.27 1wir s LEU 24 N 1.54 4.46 -0.02 2.53 1.43 -1.26 -0.10 118.68 127.26 1wir s LEU 24 Ca 0.15 1.51 0.02 0.00 -1.03 0.00 0.00 54.13 54.78 1wir s LEU 24 Cb -0.15 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.67 1wir s LEU 24 CO 0.08 0.13 -0.05 -0.36 0.23 0.00 0.00 176.35 176.38 1wir s PHE 25 N -1.33 0.55 0.20 0.29 0.40 -0.33 -4.89 117.98 112.87 1wir s PHE 25 Ca 0.39 -0.11 -0.17 0.00 -0.60 0.00 0.00 56.93 56.44 1wir s PHE 25 Cb -0.20 -0.42 0.19 0.00 0.51 0.00 0.00 43.02 43.11 1wir s PHE 25 CO 0.23 -0.06 1.60 0.00 0.70 0.00 0.00 175.22 177.69 1wir h ALA 26 N 6.39 0.19 -5.01 5.36 0.00 -1.88 0.63 119.26 124.95 1wir h ALA 26 Ca -0.32 0.21 -0.62 0.00 0.00 0.00 0.00 54.91 54.18 1wir h ALA 26 Cb 1.18 0.66 -0.12 0.00 0.00 0.00 0.00 17.79 19.51 1wir h ALA 26 CO 0.49 -0.56 -0.47 0.43 0.00 0.00 0.00 179.25 179.15 1wir n SER 27 N -5.45 2.79 0.02 0.00 7.64 -1.26 -4.16 113.62 113.19 1wir n SER 27 Ca 0.06 -3.16 -0.11 0.00 1.01 0.00 0.00 58.87 56.67 1wir n SER 27 Cb 0.36 0.53 -0.09 0.00 -1.01 0.00 0.00 64.21 64.00 1wir n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wir h ALA 28 N 1.37 -0.13 -0.92 -0.43 0.00 -1.90 -3.29 119.26 113.96 1wir h ALA 28 Ca -0.39 -0.27 0.27 0.00 0.00 0.00 0.00 54.91 54.52 1wir h ALA 28 Cb 1.23 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.92 1wir h ALA 28 CO 0.63 -0.23 0.26 0.93 0.00 0.00 0.00 179.25 180.85 1wir h GLU 29 N -0.83 0.16 -0.73 0.00 5.08 -1.98 0.45 114.58 116.74 1wir h GLU 29 Ca -0.01 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.46 1wir h GLU 29 Cb 0.57 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.70 1wir h GLU 29 CO 0.02 0.11 0.30 0.93 -1.00 0.00 0.00 179.01 179.38 1wir h GLU 30 N 0.17 0.46 0.57 2.33 4.39 -1.96 -0.96 114.58 119.57 1wir h GLU 30 Ca 0.60 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.25 1wir h GLU 30 Cb 1.29 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.84 1wir h GLU 30 CO -0.70 0.31 -0.27 1.15 -1.16 0.00 0.00 179.01 178.33 1wir h THR 31 N 0.48 0.22 -0.70 1.13 2.02 -0.20 -2.13 112.91 113.72 1wir h THR 31 Ca 0.39 -0.41 0.12 0.00 0.77 0.00 0.00 66.41 67.29 1wir h THR 31 Cb 0.54 0.31 -0.13 0.00 -1.74 0.00 0.00 68.15 67.14 1wir h THR 31 CO -0.36 0.04 -0.32 -0.26 0.37 0.00 0.00 175.52 174.98 1wir h PHE 32 N -1.09 -0.87 -0.41 3.16 0.04 -1.08 0.61 116.94 117.30 1wir h PHE 32 Ca -0.08 0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.78 1wir h PHE 32 Cb 0.64 0.48 -0.02 0.00 2.20 0.00 0.00 35.95 39.25 1wir h PHE 32 CO 0.01 -0.38 0.28 0.77 -0.60 0.00 0.00 178.31 178.38 1wir h SER 33 N -0.10 0.45 -0.45 2.17 0.02 -1.22 -0.83 113.55 113.58 1wir h SER 33 Ca 0.28 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 61.08 1wir h SER 33 Cb 0.56 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1wir h SER 33 CO -0.76 0.32 -0.25 -0.74 -1.14 0.00 0.00 176.83 174.25 1wir h HIS 34 N 0.52 1.12 0.00 3.45 -0.00 0.80 -2.80 115.15 118.24 1wir h HIS 34 Ca 0.16 -0.28 -0.07 0.00 -0.00 0.00 0.00 60.37 60.18 1wir h HIS 34 Cb -0.00 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.14 1wir h HIS 34 CO -0.00 1.11 -0.31 0.00 -0.00 0.00 0.00 177.93 178.72 1wir h LYS 36 N 0.00 0.00 0.02 0.00 1.57 -0.95 1.81 116.57 119.01 1wir h LYS 36 Ca -0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.38 1wir h LYS 36 Cb 0.91 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.16 1wir h LYS 36 CO 0.04 0.00 -2.36 1.28 -0.57 0.00 0.00 179.45 177.84 1wir n LEU 37 N -2.53 2.54 -0.06 2.94 4.77 -1.06 -3.90 117.00 119.70 1wir n LEU 37 Ca 0.04 0.09 -0.04 0.00 -0.03 0.00 0.00 56.01 56.07 1wir n LEU 37 Cb 0.41 -0.91 -0.01 0.00 -2.33 0.00 0.00 43.42 40.57 1wir n LEU 37 CO 0.29 0.77 -0.34 -0.62 -1.33 0.00 0.00 177.39 176.16 1wir n GLU 38 N -3.68 0.35 0.00 3.23 -0.58 -0.68 -4.35 120.64 114.94 1wir n GLU 38 Ca -0.46 0.35 0.10 0.00 -0.42 0.00 0.00 57.16 56.72 1wir n GLU 38 Cb 0.94 -1.34 0.59 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 -3.95 0.00 -2.39 -0.32 8.25 -0.13 -4.84 115.22 111.84 1wir n HIS 39 Ca -0.07 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.32 1wir n HIS 39 Cb 0.26 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.35 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 -0.87 -2.10 -4.23 -0.41 10.64 0.60 -4.83 117.38 116.17 1wir n GLN 40 Ca 0.15 0.02 -0.34 0.00 -1.83 0.00 0.00 57.00 55.00 1wir n GLN 40 Cb 0.07 -3.38 -0.14 0.00 -0.86 0.00 0.00 30.24 25.93 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 -1.75 2.94 -0.05 2.61 2.19 -0.07 -4.88 117.98 118.97 1wir s PHE 41 Ca 0.14 -0.72 -0.12 0.00 0.33 0.00 0.00 56.93 56.57 1wir s PHE 41 Cb -0.08 -2.01 -0.05 0.00 -1.31 0.00 0.00 43.02 39.57 1wir s PHE 41 CO 0.17 -0.35 0.30 -0.80 1.83 0.00 0.00 175.22 176.38 1wir s ASN 42 N 0.95 6.65 0.00 6.13 -0.87 -1.26 -3.62 114.94 122.92 1wir s ASN 42 Ca -0.01 0.77 0.01 0.00 -1.57 0.00 0.00 52.86 52.07 1wir s ASN 42 Cb -0.15 -2.18 -0.26 0.00 -0.02 0.00 0.00 41.25 38.64 1wir s ASN 42 CO 0.00 0.36 0.84 -0.29 -2.57 0.00 0.00 177.10 175.44 1wir h ILE 43 N 3.81 1.13 0.07 0.60 6.09 -1.99 -3.35 117.51 123.86 1wir h ILE 43 Ca -0.53 -2.83 -0.00 0.00 -1.37 0.00 0.00 64.86 60.13 1wir h ILE 43 Cb 1.22 2.69 0.00 0.00 0.47 0.00 0.00 36.82 41.20 1wir h ILE 43 CO 0.60 0.78 -0.03 -2.24 -3.07 0.00 0.00 178.15 174.19 1wir h ASP 44 N 0.05 -0.07 -0.96 2.19 2.03 -2.00 -2.66 116.42 115.00 1wir h ASP 44 Ca -0.23 -0.05 0.24 0.00 -0.73 0.00 0.00 57.03 56.25 1wir h ASP 44 Cb 1.98 0.02 -0.13 0.00 -0.83 0.00 0.00 39.33 40.38 1wir h ASP 44 CO 0.14 0.01 0.51 0.77 -1.03 0.00 0.00 179.24 179.63 1wir h SER 45 N -0.15 0.51 -0.41 4.15 4.64 -2.00 0.15 113.55 120.45 1wir h SER 45 Ca -0.01 0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 1wir h SER 45 Cb 0.12 0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1wir h SER 45 CO 0.01 0.04 0.16 0.24 -0.87 0.00 0.00 176.83 176.42 1wir h MET 46 N 0.48 0.61 -0.55 4.77 2.86 -1.62 0.24 114.93 121.72 1wir h MET 46 Ca 0.62 -0.11 0.05 0.00 -2.06 0.00 0.00 59.70 58.20 1wir h MET 46 Cb 1.19 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.70 1wir h MET 46 CO -0.51 0.57 0.28 0.28 1.06 0.00 0.00 176.91 178.59 1wir h VAL 47 N 0.51 0.95 -0.12 -2.22 2.07 -0.43 -2.03 116.25 114.97 1wir h VAL 47 Ca 0.14 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 1wir h VAL 47 Cb 0.19 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1wir h VAL 47 CO -0.01 0.10 -0.32 0.45 0.02 0.00 0.00 177.57 177.80 1wir h HIS 48 N 0.54 0.55 0.00 1.57 3.86 -1.16 0.60 115.15 121.10 1wir h HIS 48 Ca 0.25 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1wir h HIS 48 Cb 0.16 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1wir h HIS 48 CO -0.10 0.94 0.00 1.17 0.86 0.00 0.00 177.93 180.80 1wir n LYS 49 N -4.39 0.00 -0.50 2.45 0.00 0.82 -1.80 118.16 114.75 1wir n LYS 49 Ca -0.07 0.77 -0.00 0.00 0.00 0.00 0.00 58.31 59.01 1wir n LYS 49 Cb 0.49 -1.49 0.18 0.00 0.00 0.00 0.00 35.03 34.21 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 -2.52 1.18 -4.46 5.64 8.25 -0.79 -4.89 115.22 117.62 1wir n HIS 50 Ca 0.00 -0.56 -0.40 0.00 -0.26 0.00 0.00 57.72 56.50 1wir n HIS 50 Cb 0.00 -0.38 -0.08 0.00 1.12 0.00 0.00 29.99 30.65 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 0.17 -0.34 3.70 -1.41 0.00 0.14 -4.71 105.19 102.73 1wir n GLY 51 Ca 0.18 0.09 -0.57 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.10 2.28 0.00 0.99 4.77 0.19 -4.95 117.00 116.18 1wir n LEU 52 Ca 0.04 1.08 -0.22 0.00 -0.03 0.00 0.00 56.01 56.87 1wir n LEU 52 Cb 0.49 -1.14 0.12 0.00 -2.33 0.00 0.00 43.42 40.56 1wir n LEU 52 CO 0.93 -0.51 0.56 -0.62 -1.33 0.00 0.00 177.39 176.43 1wir n GLU 53 N 5.04 -0.20 -0.30 3.23 1.02 -1.26 -4.53 120.64 123.64 1wir n GLU 53 Ca 0.26 -2.50 -0.02 0.00 -0.02 0.00 0.00 57.16 54.88 1wir n GLU 53 Cb 0.13 -0.70 0.02 0.00 -0.02 0.00 0.00 31.44 30.87 1wir n GLU 53 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1wir n PHE 54 N -2.88 -0.02 -0.00 -0.32 7.35 -1.26 -0.97 117.46 119.36 1wir n PHE 54 Ca 0.16 0.97 -0.18 0.00 -0.76 0.00 0.00 57.45 57.63 1wir n PHE 54 Cb 0.56 -0.77 -0.14 0.00 0.35 0.00 0.00 39.48 39.48 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 0.33 -0.93 -5.13 0.05 -2.00 -3.33 116.97 105.95 1wir h TYR 55 Ca 0.26 -0.24 0.14 0.00 0.05 0.00 0.00 58.73 58.94 1wir h TYR 55 Cb 0.45 -0.01 -0.15 0.00 1.01 0.00 0.00 36.73 38.03 1wir h TYR 55 CO -0.70 1.22 -0.36 0.41 -1.05 0.00 0.00 178.16 177.68 1wir n GLY 56 N 1.65 -1.91 0.28 3.88 0.00 -0.14 0.75 105.19 109.69 1wir n GLY 56 Ca -0.14 1.04 -0.00 0.00 0.00 0.00 0.00 46.02 46.92 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 0.75 -0.76 1.61 3.20 -1.22 -1.92 116.97 118.63 1wir h TYR 57 Ca 0.33 0.03 0.16 0.00 3.14 0.00 0.00 58.73 62.38 1wir h TYR 57 Cb 0.56 -0.23 -0.10 0.00 1.54 0.00 0.00 36.73 38.50 1wir h TYR 57 CO -0.82 0.34 0.27 0.82 -1.64 0.00 0.00 178.16 177.13 1wir h ILE 58 N 0.73 0.59 -0.22 1.81 2.04 0.22 0.19 117.51 122.87 1wir h ILE 58 Ca 0.33 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.99 1wir h ILE 58 Cb 0.23 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1wir h ILE 58 CO -0.20 0.07 -0.17 0.11 0.00 0.00 0.00 178.15 177.96 1wir h LYS 59 N 0.38 0.38 -0.03 2.37 1.57 -0.85 -2.86 116.57 117.51 1wir h LYS 59 Ca 0.43 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1wir h LYS 59 Cb 0.69 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1wir h LYS 59 CO -0.45 0.54 0.02 1.25 -0.57 0.00 0.00 179.45 180.24 1wir h LEU 60 N 0.35 0.04 0.19 2.94 7.12 -0.31 0.26 115.31 125.90 1wir h LEU 60 Ca 0.06 -0.08 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 1wir h LEU 60 Cb 0.50 -0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.62 1wir h LEU 60 CO 0.03 0.11 -0.12 0.40 -0.13 0.00 0.00 178.44 178.73 1wir h ILE 61 N -0.02 0.00 -1.00 4.05 1.08 -1.24 -2.64 117.51 117.73 1wir h ILE 61 Ca 0.01 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.65 1wir h ILE 61 Cb 0.07 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.72 1wir h ILE 61 CO -0.00 0.00 0.61 0.78 -0.69 0.00 0.00 178.15 178.85 1wir h ASN 62 N -0.29 0.81 -0.72 1.72 2.35 -1.58 -0.98 115.58 116.90 1wir h ASN 62 Ca -0.03 0.08 0.16 0.00 -0.55 0.00 0.00 56.30 55.97 1wir h ASN 62 Cb 0.23 -0.07 -0.12 0.00 0.05 0.00 0.00 38.32 38.42 1wir h ASN 62 CO 0.03 0.34 0.08 0.15 -1.65 0.00 0.00 177.43 176.37 1wir h PHE 63 N 0.82 0.10 0.00 1.19 3.57 -0.33 0.60 116.94 122.90 1wir h PHE 63 Ca 0.55 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 62.06 1wir h PHE 63 Cb 0.77 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 1wir h PHE 63 CO -0.01 -0.16 -0.16 0.82 -2.23 0.00 0.00 178.31 176.57 1wir h ILE 64 N 0.18 0.39 -0.06 1.41 2.04 -0.82 -0.76 117.51 119.87 1wir h ILE 64 Ca 0.40 -0.98 -0.20 0.00 1.00 0.00 0.00 64.86 65.07 1wir h ILE 64 Cb 0.69 1.73 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1wir h ILE 64 CO -0.57 0.16 -0.81 0.03 0.00 0.00 0.00 178.15 176.96 1wir h ARG 65 N 0.00 0.46 0.00 2.37 2.47 0.46 -0.20 114.38 119.94 1wir h ARG 65 Ca -0.00 -0.41 -0.02 0.00 -1.26 0.00 0.00 59.98 58.29 1wir h ARG 65 Cb 0.72 0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.13 1wir h ARG 65 CO 0.02 1.05 -0.34 1.25 0.56 0.00 0.00 179.97 182.52 1wir h LEU 66 N 0.30 0.00 -0.57 3.04 6.46 -0.89 -3.38 115.31 120.26 1wir h LEU 66 Ca -0.05 -0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.60 1wir h LEU 66 Cb 1.41 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.31 1wir h LEU 66 CO 0.14 0.72 0.23 0.11 -0.62 0.00 0.00 178.44 179.02 1wir h LYS 67 N -1.00 0.85 -5.19 1.25 1.79 -1.30 -3.47 116.57 109.49 1wir h LYS 67 Ca -0.02 -0.15 -0.32 0.00 -2.18 0.00 0.00 60.65 57.98 1wir h LYS 67 Cb 0.39 -0.14 0.14 0.00 -1.58 0.00 0.00 32.23 31.03 1wir h LYS 67 CO -0.01 0.73 -0.63 0.09 -1.08 0.00 0.00 179.45 178.54 1wir n ASN 68 N -4.50 -3.82 -3.82 0.86 3.02 -0.09 -5.00 115.26 101.91 1wir n ASN 68 Ca 0.03 -0.51 -0.30 0.00 -0.03 0.00 0.00 54.58 53.77 1wir n ASN 68 Cb 0.16 -4.48 0.24 0.00 -0.61 0.00 0.00 39.78 35.09 1wir n ASN 68 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1wir s PRO 69 N -5.64 -1.22 0.28 3.52 0.04 -1.26 -5.04 135.00 125.67 1wir s PRO 69 Ca 0.24 -0.06 0.03 0.00 0.04 0.00 0.00 61.00 61.25 1wir s PRO 69 Cb -0.11 -1.60 0.03 0.00 0.04 0.00 0.00 34.50 32.87 1wir s PRO 69 CO 0.63 -3.71 0.26 0.25 0.04 0.00 0.00 177.00 174.47 1wir n THR 70 N -4.76 0.00 0.74 1.26 -2.24 -1.26 -4.82 114.28 103.19 1wir n THR 70 Ca 0.13 -1.04 0.13 0.00 -2.27 0.00 0.00 64.05 61.00 1wir n THR 70 Cb 0.59 -0.41 0.48 0.00 -2.10 0.00 0.00 70.33 68.90 1wir n THR 70 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1wir n VAL 71 N -1.27 0.42 0.05 2.28 0.31 -1.26 -2.64 118.33 116.21 1wir n VAL 71 Ca 0.02 -0.13 -0.21 0.00 -0.01 0.00 0.00 64.34 64.01 1wir n VAL 71 Cb 0.31 -0.61 -0.15 0.00 -0.91 0.00 0.00 33.84 32.48 1wir n VAL 71 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1wir h GLU 72 N 0.00 0.31 -0.06 5.55 4.39 -1.97 -3.21 114.58 119.60 1wir h GLU 72 Ca 0.00 -0.54 -0.04 0.00 0.34 0.00 0.00 59.36 59.12 1wir h GLU 72 Cb 0.61 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1wir h GLU 72 CO 0.00 1.26 -0.14 -0.92 -1.16 0.00 0.00 179.01 178.05 1wir h TYR 73 N -0.29 0.25 -0.93 4.33 3.20 -1.89 -3.11 116.97 118.53 1wir h TYR 73 Ca -0.21 -0.09 0.17 0.00 3.14 0.00 0.00 58.73 61.74 1wir h TYR 73 Cb 1.75 -0.04 -0.10 0.00 1.54 0.00 0.00 36.73 39.87 1wir h TYR 73 CO 0.17 0.74 0.52 0.52 -1.64 0.00 0.00 178.16 178.46 1wir h MET 74 N -0.31 0.65 0.00 1.82 2.86 -1.67 0.41 114.93 118.69 1wir h MET 74 Ca -0.00 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 1wir h MET 74 Cb 0.73 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1wir h MET 74 CO 0.03 0.43 -0.17 -0.91 1.06 0.00 0.00 176.91 177.35 1wir h ASN 75 N 0.67 0.00 -3.35 1.22 2.35 -1.56 -3.31 115.58 111.61 1wir h ASN 75 Ca 0.53 0.00 -0.70 0.00 -0.55 0.00 0.00 56.30 55.58 1wir h ASN 75 Cb 0.81 0.00 -0.36 0.00 0.05 0.00 0.00 38.32 38.82 1wir h ASN 75 CO -0.39 0.17 -0.13 -0.44 -1.65 0.00 0.00 177.43 175.00 1wir s SER 76 N -6.37 5.92 0.02 5.81 0.01 0.14 -5.03 113.70 114.19 1wir s SER 76 Ca -0.03 -3.71 -0.01 0.00 1.31 0.00 0.00 55.95 53.52 1wir s SER 76 Cb 0.13 -1.89 -0.02 0.00 0.21 0.00 0.00 66.02 64.45 1wir s SER 76 CO 0.62 -0.18 -0.02 -0.63 0.41 0.00 0.00 173.24 173.44 1wir s ILE 77 N -1.32 0.11 0.29 1.44 1.01 -1.24 -4.87 121.20 116.62 1wir s ILE 77 Ca 0.27 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 1wir s ILE 77 Cb -0.07 -0.27 -0.02 0.00 0.01 0.00 0.00 42.46 42.11 1wir s ILE 77 CO -0.12 -0.48 0.36 -0.31 0.00 0.00 0.00 174.94 174.38 1wir s TYR 78 N -1.42 1.13 0.15 3.97 2.02 -1.26 -5.09 117.35 116.84 1wir s TYR 78 Ca -0.16 -1.30 -0.14 0.00 -0.37 0.00 0.00 57.07 55.10 1wir s TYR 78 Cb -0.10 -0.28 -0.07 0.00 -0.40 0.00 0.00 41.96 41.11 1wir s TYR 78 CO -0.01 -0.95 0.56 0.54 -1.57 0.00 0.00 175.55 174.12 1wir s ASN 79 N -3.22 6.83 0.08 2.29 4.22 -1.26 -2.54 114.94 121.34 1wir s ASN 79 Ca 0.33 1.09 -0.31 0.00 -2.14 0.00 0.00 52.86 51.83 1wir s ASN 79 Cb 0.02 -2.29 -0.07 0.00 1.28 0.00 0.00 41.25 40.18 1wir s ASN 79 CO 0.18 0.09 1.39 -2.16 -2.04 0.00 0.00 177.10 174.56 1wir s PRO 80 N -1.99 4.31 0.59 3.55 0.04 -1.26 -5.11 135.00 135.13 1wir s PRO 80 Ca 0.38 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 63.26 1wir s PRO 80 Cb -0.15 -3.36 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 1wir s PRO 80 CO 0.19 -0.47 1.11 1.33 0.04 0.00 0.00 177.00 179.20 1wir n VAL 81 N 4.17 3.86 0.98 -0.36 0.24 -1.05 -4.85 118.33 121.32 1wir n VAL 81 Ca 0.12 -0.50 0.07 0.00 -2.04 0.00 0.00 64.34 61.99 1wir n VAL 81 Cb 0.43 -1.31 0.44 0.00 -1.47 0.00 0.00 33.84 31.93 1wir n VAL 81 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1wir n PRO 82 N -1.08 0.49 -0.47 7.34 -0.04 -1.26 -2.24 135.00 137.73 1wir n PRO 82 Ca 0.13 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.66 1wir n PRO 82 Cb 0.46 -1.47 0.19 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.97 0.06 -0.28 0.54 2.14 -1.26 -4.69 117.44 112.97 1wir n TRP 83 Ca 0.11 -1.37 0.00 0.00 2.07 0.00 0.00 57.50 58.31 1wir n TRP 83 Cb 0.05 -0.24 0.23 0.00 -0.81 0.00 0.00 31.31 30.55 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 -1.19 3.17 -2.41 -2.67 1.02 -0.95 -4.69 120.64 112.92 1wir n GLU 84 Ca 0.19 -2.03 -0.24 0.00 -0.02 0.00 0.00 57.16 55.05 1wir n GLU 84 Cb 0.69 -1.95 0.09 0.00 -0.02 0.00 0.00 31.44 30.25 1wir n GLU 84 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wir s LYS 85 N -2.15 1.89 -0.10 3.49 3.01 -1.26 -5.03 119.74 119.59 1wir s LYS 85 Ca 0.36 -0.72 0.20 0.00 -1.01 0.00 0.00 55.97 54.80 1wir s LYS 85 Cb 0.28 -2.26 -0.27 0.00 -1.01 0.00 0.00 37.83 34.57 1wir s LYS 85 CO 0.10 -1.35 0.33 -0.25 0.51 0.00 0.00 175.35 174.69 1wir n ASP 86 N -2.86 0.10 0.06 2.83 9.92 -1.26 -4.29 116.55 121.04 1wir n ASP 86 Ca 0.12 0.04 -0.01 0.00 -0.53 0.00 0.00 54.79 54.41 1wir n ASP 86 Cb 0.60 1.32 0.27 0.00 -0.64 0.00 0.00 41.12 42.68 1wir n ASP 86 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1wir h GLU 87 N 0.00 0.36 -0.48 -1.24 4.11 -1.98 -2.75 114.58 112.62 1wir h GLU 87 Ca -0.27 -0.12 -0.06 0.00 0.07 0.00 0.00 59.36 58.97 1wir h GLU 87 Cb 1.64 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.84 1wir h GLU 87 CO 0.02 0.56 0.03 1.88 0.07 0.00 0.00 179.01 181.58 1wir h TYR 88 N 0.33 0.81 -1.37 2.06 0.05 -1.94 -2.87 116.97 114.04 1wir h TYR 88 Ca 0.06 -0.10 0.47 0.00 0.05 0.00 0.00 58.73 59.21 1wir h TYR 88 Cb 0.57 -0.23 -0.14 0.00 1.01 0.00 0.00 36.73 37.94 1wir h TYR 88 CO 0.01 0.73 0.88 1.28 -1.05 0.00 0.00 178.16 180.02 1wir n LEU 89 N -4.24 0.20 -4.77 3.88 4.77 -1.04 -4.33 117.00 111.48 1wir n LEU 89 Ca 0.03 1.36 -0.38 0.00 -0.03 0.00 0.00 56.01 56.99 1wir n LEU 89 Cb 0.28 -0.67 -0.04 0.00 -2.33 0.00 0.00 43.42 40.66 1wir n LEU 89 CO 0.41 -1.47 0.76 -0.54 -1.33 0.00 0.00 177.39 175.22 1wir s LYS 90 N -5.21 4.30 -0.48 3.23 1.02 -1.08 -4.86 119.74 116.66 1wir s LYS 90 Ca -0.07 1.64 -0.27 0.00 0.02 0.00 0.00 55.97 57.28 1wir s LYS 90 Cb 0.30 -2.76 -0.02 0.00 -0.52 0.00 0.00 37.83 34.84 1wir s LYS 90 CO 0.81 -0.05 1.78 -1.25 -0.92 0.00 0.00 175.35 175.72 1wir s PRO 91 N -2.14 3.01 0.46 -1.68 0.04 -1.26 -4.86 135.00 128.58 1wir s PRO 91 Ca 0.53 0.97 0.26 0.00 0.04 0.00 0.00 61.00 62.80 1wir s PRO 91 Cb -0.26 -4.27 1.29 0.00 0.04 0.00 0.00 34.50 31.30 1wir s PRO 91 CO 0.33 -2.25 1.79 0.28 0.04 0.00 0.00 177.00 177.18 1wir h VAL 92 N 6.81 0.47 -4.71 -0.36 2.07 -1.89 -3.42 116.25 115.22 1wir h VAL 92 Ca -0.29 -0.08 -0.29 0.00 0.82 0.00 0.00 66.70 66.86 1wir h VAL 92 Cb 1.16 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1wir h VAL 92 CO 1.13 0.04 -0.18 0.18 0.02 0.00 0.00 177.57 178.76 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 0.25 -1.44 -0.34 0.00 -0.02 0.00 0.00 56.01 54.46 1wir n LEU 93 Cb 1.02 0.07 -0.11 0.00 -1.62 0.00 0.00 43.42 42.79 1wir n LEU 93 CO 0.31 -0.32 -0.35 -0.70 -1.22 0.00 0.00 177.39 175.11 1wir s GLU 94 N -2.98 2.86 -1.27 3.23 2.12 -1.26 -4.58 118.70 116.81 1wir s GLU 94 Ca 0.08 -0.49 -0.03 0.00 0.36 0.00 0.00 54.97 54.89 1wir s GLU 94 Cb -0.01 -2.68 0.01 0.00 0.26 0.00 0.00 34.13 31.71 1wir s GLU 94 CO 0.05 0.67 1.00 -3.47 -0.54 0.00 0.00 175.26 172.97 1wir n ASP 95 N 2.21 -3.07 -4.58 -1.70 2.03 -1.26 -4.90 116.55 105.27 1wir n ASP 95 Ca -0.18 -0.64 -0.42 0.00 0.52 0.00 0.00 54.79 54.07 1wir n ASP 95 Cb 0.53 -4.87 -0.02 0.00 -0.72 0.00 0.00 41.12 36.04 1wir n ASP 95 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1wir s ASP 96 N -4.06 6.21 0.21 1.67 1.01 -1.26 -4.81 116.67 115.64 1wir s ASP 96 Ca 0.18 0.45 -0.06 0.00 0.71 0.00 0.00 52.55 53.83 1wir s ASP 96 Cb -0.08 -2.54 0.17 0.00 1.01 0.00 0.00 42.92 41.48 1wir s ASP 96 CO 0.75 -1.61 1.66 -0.07 0.21 0.00 0.00 175.17 176.11 1wir h LEU 97 N 12.76 0.88 -1.26 1.23 3.38 -1.90 -2.84 115.31 127.55 1wir h LEU 97 Ca -0.27 -0.27 0.16 0.00 0.09 0.00 0.00 57.88 57.58 1wir h LEU 97 Cb 1.09 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 1wir h LEU 97 CO 1.15 1.00 0.59 -0.07 0.09 0.00 0.00 178.44 181.20 1wir h LEU 98 N 0.80 0.66 -1.32 1.67 3.38 -1.95 0.39 115.31 118.92 1wir h LEU 98 Ca 0.13 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1wir h LEU 98 Cb 0.62 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1wir h LEU 98 CO 0.04 0.31 -0.16 -0.07 0.09 0.00 0.00 178.44 178.66 1wir h LEU 99 N 0.68 0.00 -3.37 1.67 4.07 -1.90 -2.64 115.31 113.82 1wir h LEU 99 Ca 0.47 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.40 1wir h LEU 99 Cb 0.78 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.50 1wir h LEU 99 CO -0.23 0.16 0.02 0.00 -1.08 0.00 0.00 178.44 177.31 1wir n GLN 100 N -3.36 3.29 -1.92 1.13 10.64 0.12 -4.97 117.38 122.31 1wir n GLN 100 Ca -0.00 -2.96 -0.31 0.00 -1.83 0.00 0.00 57.00 51.90 1wir n GLN 100 Cb 0.37 -1.96 0.01 0.00 -0.86 0.00 0.00 30.24 27.80 1wir n GLN 100 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 1wir s PHE 101 N -2.87 3.48 -1.18 2.61 5.36 -0.29 -4.96 117.98 120.13 1wir s PHE 101 Ca 0.46 1.36 -0.20 0.00 -0.96 0.00 0.00 56.93 57.59 1wir s PHE 101 Cb 0.37 -2.77 0.07 0.00 -0.34 0.00 0.00 43.02 40.35 1wir s PHE 101 CO 0.10 -0.75 1.59 -0.51 -1.46 0.00 0.00 175.22 174.19 1wir s ASP 102 N -3.85 6.72 0.18 6.13 1.11 -1.26 -4.73 116.67 120.98 1wir s ASP 102 Ca 0.57 -2.10 0.13 0.00 0.18 0.00 0.00 52.55 51.32 1wir s ASP 102 Cb -0.12 -2.56 -0.06 0.00 1.07 0.00 0.00 42.92 41.25 1wir s ASP 102 CO 0.49 -1.26 1.27 1.62 1.18 0.00 0.00 175.17 178.47 1wir h VAL 103 N 5.98 1.08 -0.79 -1.27 3.04 -1.94 -3.33 116.25 119.01 1wir h VAL 103 Ca 0.34 -2.59 0.19 0.00 -1.01 0.00 0.00 66.70 63.63 1wir h VAL 103 Cb 0.93 2.51 -0.13 0.00 -2.01 0.00 0.00 31.29 32.58 1wir h VAL 103 CO 1.42 0.62 0.13 -0.33 -1.01 0.00 0.00 177.57 178.39 1wir h GLU 104 N 0.00 0.18 -1.16 4.17 5.08 -1.96 0.50 114.58 121.39 1wir h GLU 104 Ca -0.04 -0.01 0.33 0.00 -1.00 0.00 0.00 59.36 58.64 1wir h GLU 104 Cb 1.57 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.71 1wir h GLU 104 CO 0.08 0.12 0.81 0.38 -1.00 0.00 0.00 179.01 179.40 1wir h ASP 105 N 0.18 0.15 -0.36 1.42 2.03 -1.98 0.62 116.42 118.48 1wir h ASP 105 Ca 0.46 0.03 -0.06 0.00 -0.73 0.00 0.00 57.03 56.73 1wir h ASP 105 Cb 0.85 0.01 -0.02 0.00 -0.83 0.00 0.00 39.33 39.34 1wir h ASP 105 CO -0.62 0.02 0.02 -0.07 -1.03 0.00 0.00 179.24 177.56 1wir h LEU 106 N 0.13 0.68 -9.07 0.15 3.38 -0.22 -3.41 115.31 106.94 1wir h LEU 106 Ca 0.60 -0.15 -0.56 0.00 0.09 0.00 0.00 57.88 57.86 1wir h LEU 106 Cb 2.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.63 1wir h LEU 106 CO -0.12 0.74 1.16 -0.31 0.09 0.00 0.00 178.44 180.00 1wir s TYR 107 N -5.02 1.95 -0.19 1.13 2.02 0.22 -4.96 117.35 112.50 1wir s TYR 107 Ca -0.09 0.44 -0.26 0.00 -0.37 0.00 0.00 57.07 56.79 1wir s TYR 107 Cb 0.15 -3.99 -0.01 0.00 -0.40 0.00 0.00 41.96 37.71 1wir s TYR 107 CO 0.80 -3.30 0.87 -2.00 -1.57 0.00 0.00 175.55 170.35 1wir s GLU 108 N 4.75 4.28 -0.84 -0.62 2.12 -1.26 -4.97 118.70 122.15 1wir s GLU 108 Ca 0.75 1.07 -0.25 0.00 0.36 0.00 0.00 54.97 56.91 1wir s GLU 108 Cb -0.28 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.48 1wir s GLU 108 CO 0.31 -0.40 1.93 -1.25 -0.54 0.00 0.00 175.26 175.31 1wir s PRO 109 N 2.41 2.56 -0.64 4.30 0.04 -1.26 -4.90 135.00 137.52 1wir s PRO 109 Ca 0.39 -0.10 0.01 0.00 0.04 0.00 0.00 61.00 61.34 1wir s PRO 109 Cb -0.16 -4.93 0.16 0.00 0.04 0.00 0.00 34.50 29.61 1wir s PRO 109 CO 0.11 -3.26 0.43 0.08 0.04 0.00 0.00 177.00 174.40 1wir s VAL 110 N 9.93 3.27 -0.11 -0.36 1.01 -1.26 -5.04 120.40 127.83 1wir s VAL 110 Ca 0.70 -3.42 -0.30 0.00 0.00 0.00 0.00 61.98 58.95 1wir s VAL 110 Cb -0.08 -3.15 0.12 0.00 0.00 0.00 0.00 36.38 33.27 1wir s VAL 110 CO 0.04 -0.90 1.01 -0.55 0.00 0.00 0.00 175.10 174.70 1wir s SER 111 N -0.12 -0.31 0.38 3.32 0.15 -1.26 -5.15 113.70 110.70 1wir s SER 111 Ca 0.20 0.17 -0.27 0.00 0.70 0.00 0.00 55.95 56.75 1wir s SER 111 Cb -0.18 0.29 -0.09 0.00 -1.71 0.00 0.00 66.02 64.33 1wir s SER 111 CO -0.05 -0.41 1.27 0.42 1.20 0.00 0.00 173.24 175.66 1wir s THR 112 N -2.08 2.79 -1.19 6.45 -4.23 -1.26 -4.90 115.64 111.22 1wir s THR 112 Ca 0.03 0.73 0.14 0.00 -1.18 0.00 0.00 61.69 61.41 1wir s THR 112 Cb -0.01 -3.44 0.18 0.00 1.34 0.00 0.00 72.50 70.57 1wir s THR 112 CO -0.04 0.12 1.43 -0.81 -0.54 0.00 0.00 174.62 174.79 1wir n PRO 113 N 0.37 0.09 -2.71 3.99 -0.04 -1.26 -4.74 135.00 130.70 1wir n PRO 113 Ca 0.02 0.21 -0.41 0.00 -0.04 0.00 0.00 63.50 63.28 1wir n PRO 113 Cb 0.44 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.35 1wir n PRO 113 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1wir s PHE 114 N -2.81 3.78 0.11 0.54 0.40 -1.26 -4.98 117.98 113.76 1wir s PHE 114 Ca 0.10 1.77 -0.32 0.00 -0.60 0.00 0.00 56.93 57.88 1wir s PHE 114 Cb 0.10 -3.08 -0.11 0.00 0.51 0.00 0.00 43.02 40.43 1wir s PHE 114 CO 0.24 0.13 1.80 0.43 0.70 0.00 0.00 175.22 178.52 1wir n SER 115 N 2.96 3.85 -3.76 1.36 7.64 -1.26 -4.96 113.62 119.44 1wir n SER 115 Ca 0.03 1.00 -0.30 0.00 1.01 0.00 0.00 58.87 60.61 1wir n SER 115 Cb 0.49 -1.51 -0.15 0.00 -1.01 0.00 0.00 64.21 62.04 1wir n SER 115 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wir s SER 116 N 2.52 4.03 0.00 6.43 1.04 -1.26 -4.93 113.70 121.54 1wir s SER 116 Ca 0.82 -1.92 0.00 0.00 0.48 0.00 0.00 55.95 55.33 1wir s SER 116 Cb -0.53 -0.99 0.00 0.00 0.10 0.00 0.00 66.02 64.60 1wir s SER 116 CO 0.39 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.84 1wir n GLY 117 N 4.49 -1.50 3.58 7.32 0.00 -1.26 -5.11 105.19 112.71 1wir n GLY 117 Ca 0.01 0.49 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 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 3.17 -0.12 1.61 0.04 -1.26 -4.93 135.00 133.50 1wir s PRO 118 Ca 0.00 1.10 -0.30 0.00 0.04 0.00 0.00 61.00 61.83 1wir s PRO 118 Cb 0.00 -4.22 0.12 0.00 0.04 0.00 0.00 34.50 30.44 1wir s PRO 118 CO 0.00 -2.07 1.01 -1.54 0.04 0.00 0.00 177.00 174.44 1wir s SER 119 N 6.31 -0.32 -0.00 6.66 1.04 -1.26 -5.19 113.70 120.94 1wir s SER 119 Ca 0.73 0.20 -0.30 0.00 0.48 0.00 0.00 55.95 57.07 1wir s SER 119 Cb -0.18 0.29 0.11 0.00 0.10 0.00 0.00 66.02 66.34 1wir s SER 119 CO 0.30 -0.39 1.11 -0.94 0.98 0.00 0.00 173.24 174.30 1wir s SER 120 N -1.67 -0.16 0.00 7.02 1.04 -1.26 -5.27 113.70 113.40 1wir s SER 120 Ca 0.02 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1wir s SER 120 Cb -0.01 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1wir s SER 120 CO -0.03 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.30