#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wir s SER 2 N 0.00 0.57 -0.25 1.61 0.01 -1.26 -5.14 113.70 109.24 1wir s SER 2 Ca 0.00 0.17 -0.26 0.00 1.31 0.00 0.00 55.95 57.17 1wir s SER 2 Cb 0.00 0.04 0.13 0.00 0.21 0.00 0.00 66.02 66.40 1wir s SER 2 CO 0.00 -0.20 1.07 -0.55 0.41 0.00 0.00 173.24 173.97 1wir s SER 3 N 1.77 -0.38 0.00 2.44 0.15 -1.26 -5.12 113.70 111.30 1wir s SER 3 Ca -0.01 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1wir s SER 3 Cb -0.12 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1wir s SER 3 CO -0.04 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1wir n GLY 4 N 1.75 -1.80 3.03 9.45 0.00 -1.26 -5.16 105.19 111.20 1wir n GLY 4 Ca -0.11 0.83 -0.28 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 2.38 0.24 1.61 1.04 -1.26 -5.13 113.70 112.58 1wir s SER 5 Ca 0.00 -0.41 -0.06 0.00 0.48 0.00 0.00 55.95 55.97 1wir s SER 5 Cb 0.00 -1.05 -0.02 0.00 0.10 0.00 0.00 66.02 65.05 1wir s SER 5 CO 0.00 -0.01 0.32 -0.94 0.98 0.00 0.00 173.24 173.59 1wir s SER 6 N 1.10 0.22 -1.46 7.02 1.04 -1.26 -5.06 113.70 115.30 1wir s SER 6 Ca -0.05 -1.23 -0.13 0.00 0.48 0.00 0.00 55.95 55.02 1wir s SER 6 Cb -0.14 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 1wir s SER 6 CO -0.03 -1.03 2.49 0.61 0.98 0.00 0.00 173.24 176.26 1wir n GLY 7 N -0.37 4.19 3.91 7.32 0.00 -1.26 -4.93 105.19 114.06 1wir n GLY 7 Ca 0.01 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 1wir n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wir s GLU 8 N 2.92 3.52 0.87 1.61 -1.05 -1.26 -5.10 118.70 120.22 1wir s GLU 8 Ca 0.56 -0.28 -0.11 0.00 -0.15 0.00 0.00 54.97 54.98 1wir s GLU 8 Cb 0.15 -2.94 0.11 0.00 -0.44 0.00 0.00 34.13 31.02 1wir s GLU 8 CO -0.06 0.53 1.09 -1.25 0.95 0.00 0.00 175.26 176.52 1wir s PRO 9 N -2.66 1.46 -0.43 -4.83 0.04 -1.26 -4.99 135.00 122.33 1wir s PRO 9 Ca 0.38 0.89 0.05 0.00 0.04 0.00 0.00 61.00 62.35 1wir s PRO 9 Cb -0.12 -1.83 0.43 0.00 0.04 0.00 0.00 34.50 33.02 1wir s PRO 9 CO 0.27 -2.12 1.30 0.00 0.04 0.00 0.00 177.00 176.49 1wir n ALA 10 N -3.81 5.27 -0.31 8.56 0.00 -1.26 -4.81 120.51 124.15 1wir n ALA 10 Ca 0.07 -4.00 0.16 0.00 0.00 0.00 0.00 53.44 49.67 1wir n ALA 10 Cb 0.55 -0.66 0.41 0.00 0.00 0.00 0.00 19.45 19.74 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 2.38 0.83 0.00 0.00 2.07 -2.07 -3.45 115.15 114.93 1wir h HIS 11 Ca 0.38 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.93 1wir h HIS 11 Cb 1.12 -0.25 0.00 0.00 2.57 0.00 0.00 27.41 30.84 1wir h HIS 11 CO 0.91 0.20 0.00 0.41 -3.07 0.00 0.00 177.93 176.38 1wir n GLY 12 N -1.42 5.44 3.70 6.13 0.00 -1.26 -5.18 105.19 112.60 1wir n GLY 12 Ca 0.22 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 1wir n GLY 12 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wir s ARG 13 N 4.92 2.09 -0.58 1.61 1.70 -1.26 -5.07 118.95 122.36 1wir s ARG 13 Ca 0.00 -2.20 0.03 0.00 -0.47 0.00 0.00 55.73 53.10 1wir s ARG 13 Cb 0.00 -1.65 0.39 0.00 -0.57 0.00 0.00 34.95 33.11 1wir s ARG 13 CO 0.00 -0.21 1.30 0.94 -1.08 0.00 0.00 175.30 176.25 1wir n GLN 14 N -1.15 3.40 -4.50 3.89 7.27 -1.26 -5.00 117.38 120.02 1wir n GLN 14 Ca -0.10 -4.40 -0.24 0.00 0.07 0.00 0.00 57.00 52.33 1wir n GLN 14 Cb 0.67 -2.27 -0.17 0.00 2.41 0.00 0.00 30.24 30.88 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 -3.68 1.38 -0.16 3.69 3.76 -1.26 -4.49 115.29 114.52 1wir s HIS 15 Ca 0.48 -0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 54.87 1wir s HIS 15 Cb 0.37 -1.03 -0.01 0.00 1.11 0.00 0.00 32.58 33.02 1wir s HIS 15 CO -0.22 -0.28 -0.09 -0.08 -0.85 0.00 0.00 174.74 173.22 1wir s THR 16 N 0.74 3.29 0.94 1.30 -1.32 0.28 -4.82 115.64 116.06 1wir s THR 16 Ca -0.13 -0.56 -0.12 0.00 -1.21 0.00 0.00 61.69 59.67 1wir s THR 16 Cb -0.15 -2.43 0.16 0.00 -1.51 0.00 0.00 72.50 68.56 1wir s THR 16 CO 0.03 0.49 1.09 -2.16 -2.21 0.00 0.00 174.62 171.86 1wir s PRO 17 N 0.70 0.89 0.71 7.08 0.04 -1.26 -1.28 135.00 141.89 1wir s PRO 17 Ca -0.04 0.68 -0.11 0.00 0.04 0.00 0.00 61.00 61.57 1wir s PRO 17 Cb -0.15 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.63 1wir s PRO 17 CO 0.02 -2.46 1.09 0.00 0.04 0.00 0.00 177.00 175.69 1wir h LEU 19 N -0.70 0.41 0.08 0.00 -0.00 -1.95 -3.40 115.31 109.74 1wir h LEU 19 Ca -0.45 -0.87 -0.19 0.00 -0.00 0.00 0.00 57.88 56.37 1wir h LEU 19 Cb 1.25 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 41.77 1wir h LEU 19 CO 0.63 1.60 -0.93 -0.26 -0.00 0.00 0.00 178.44 179.48 1wir h PHE 20 N -0.29 0.30 -4.95 1.13 0.04 -1.92 -3.43 116.94 107.83 1wir h PHE 20 Ca -0.28 -0.22 -0.29 0.00 2.80 0.00 0.00 57.97 59.98 1wir h PHE 20 Cb 1.77 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.88 1wir h PHE 20 CO 0.13 1.36 -0.13 0.00 -0.60 0.00 0.00 178.31 179.07 1wir n ASP 22 N -1.96 6.53 -4.67 0.00 5.68 -1.26 -3.56 116.55 117.31 1wir n ASP 22 Ca -0.01 -3.78 -0.38 0.00 -0.50 0.00 0.00 54.79 50.12 1wir n ASP 22 Cb 0.31 -0.78 -0.07 0.00 -1.14 0.00 0.00 41.12 39.44 1wir n ASP 22 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1wir s ARG 23 N -3.81 4.19 0.03 0.11 0.52 -1.26 -4.77 118.95 113.96 1wir s ARG 23 Ca 0.55 0.25 -0.19 0.00 -0.52 0.00 0.00 55.73 55.81 1wir s ARG 23 Cb 0.45 -3.53 -0.06 0.00 0.52 0.00 0.00 34.95 32.32 1wir s ARG 23 CO -0.16 -0.04 0.56 -0.51 0.02 0.00 0.00 175.30 175.16 1wir s LEU 24 N 1.31 4.47 0.05 2.53 1.43 -1.26 0.26 118.68 127.47 1wir s LEU 24 Ca 0.20 1.18 0.06 0.00 -1.03 0.00 0.00 54.13 54.53 1wir s LEU 24 Cb -0.15 -2.87 -0.02 0.00 0.03 0.00 0.00 46.19 43.18 1wir s LEU 24 CO 0.08 0.20 -0.16 -0.36 0.23 0.00 0.00 176.35 176.35 1wir s PHE 25 N -0.68 1.35 0.16 0.29 0.40 -0.40 -4.92 117.98 114.17 1wir s PHE 25 Ca 0.29 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 56.12 1wir s PHE 25 Cb -0.19 -0.79 0.03 0.00 0.51 0.00 0.00 43.02 42.59 1wir s PHE 25 CO 0.17 0.06 1.61 0.00 0.70 0.00 0.00 175.22 177.77 1wir h ALA 26 N 4.70 0.70 -2.07 5.36 0.00 -1.87 0.82 119.26 126.90 1wir h ALA 26 Ca -0.40 -0.29 -0.57 0.00 0.00 0.00 0.00 54.91 53.65 1wir h ALA 26 Cb 1.18 -0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.64 1wir h ALA 26 CO 0.43 0.52 -0.71 -1.54 0.00 0.00 0.00 179.25 177.95 1wir s SER 27 N -6.41 3.32 0.26 0.00 1.04 -1.26 -4.46 113.70 106.18 1wir s SER 27 Ca -0.12 -1.13 0.05 0.00 0.48 0.00 0.00 55.95 55.23 1wir s SER 27 Cb 0.12 -0.27 0.32 0.00 0.10 0.00 0.00 66.02 66.30 1wir s SER 27 CO 0.83 -0.17 1.61 0.00 0.98 0.00 0.00 173.24 176.49 1wir h ALA 28 N 2.21 0.94 -0.37 5.32 0.00 -1.87 -3.16 119.26 122.33 1wir h ALA 28 Ca -0.41 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 53.97 1wir h ALA 28 Cb 1.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1wir h ALA 28 CO 0.66 0.68 0.06 0.93 0.00 0.00 0.00 179.25 181.57 1wir h GLU 29 N 0.19 0.62 -0.61 0.00 3.07 -1.96 -2.75 114.58 113.14 1wir h GLU 29 Ca 0.00 -0.17 0.12 0.00 -0.50 0.00 0.00 59.36 58.81 1wir h GLU 29 Cb 1.00 -0.07 -0.09 0.00 -0.84 0.00 0.00 28.75 28.75 1wir h GLU 29 CO 0.08 0.69 0.11 0.93 -1.40 0.00 0.00 179.01 179.42 1wir h GLU 30 N 0.46 0.23 0.94 2.33 5.08 -1.97 -1.90 114.58 119.75 1wir h GLU 30 Ca 0.11 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1wir h GLU 30 Cb 0.37 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.58 1wir h GLU 30 CO 0.01 0.15 -0.45 1.15 -1.00 0.00 0.00 179.01 178.87 1wir h THR 31 N 0.24 0.00 -0.90 1.13 2.02 -1.57 -1.98 112.91 111.85 1wir h THR 31 Ca 0.32 -0.02 0.11 0.00 0.77 0.00 0.00 66.41 67.59 1wir h THR 31 Cb 0.49 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.77 1wir h THR 31 CO -0.43 0.00 -0.48 -0.26 0.37 0.00 0.00 175.52 174.73 1wir h PHE 32 N -1.29 -1.44 -0.83 3.16 0.04 -1.18 0.51 116.94 115.91 1wir h PHE 32 Ca -0.13 0.11 0.12 0.00 2.80 0.00 0.00 57.97 60.87 1wir h PHE 32 Cb 0.97 0.75 -0.08 0.00 2.20 0.00 0.00 35.95 39.79 1wir h PHE 32 CO 0.01 -0.40 0.45 1.03 -0.60 0.00 0.00 178.31 178.81 1wir h SER 33 N -0.06 0.61 0.07 2.17 0.87 -1.33 -0.50 113.55 115.38 1wir h SER 33 Ca 0.24 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1wir h SER 33 Cb 0.52 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1wir h SER 33 CO -0.90 0.31 -0.07 -0.74 -0.53 0.00 0.00 176.83 174.90 1wir h HIS 34 N 0.72 -0.19 -0.21 2.24 -0.00 0.73 -1.45 115.15 116.98 1wir h HIS 34 Ca 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.78 1wir h HIS 34 Cb 0.48 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.96 1wir h HIS 34 CO -0.07 -0.12 0.09 0.00 -0.00 0.00 0.00 177.93 177.83 1wir h LYS 36 N 0.29 0.00 0.02 0.00 1.57 -0.49 1.30 116.57 119.26 1wir h LYS 36 Ca 0.07 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.52 1wir h LYS 36 Cb 0.06 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1wir h LYS 36 CO -0.01 0.02 -1.84 1.28 -0.57 0.00 0.00 179.45 178.33 1wir n LEU 37 N -3.11 2.12 -0.02 2.94 4.77 -0.21 -3.68 117.00 119.81 1wir n LEU 37 Ca 0.02 0.31 -0.01 0.00 -0.03 0.00 0.00 56.01 56.30 1wir n LEU 37 Cb 0.38 -0.95 -0.00 0.00 -2.33 0.00 0.00 43.42 40.52 1wir n LEU 37 CO 0.30 0.51 -0.07 -0.33 -1.33 0.00 0.00 177.39 176.47 1wir h GLU 38 N -0.73 0.00 0.00 3.23 5.08 -0.80 -3.37 114.58 117.99 1wir h GLU 38 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1wir h GLU 38 Cb 1.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.82 1wir h GLU 38 CO -0.21 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.52 1wir n HIS 39 N -2.83 0.00 -4.19 4.33 8.25 -0.02 -4.84 115.22 115.93 1wir n HIS 39 Ca -0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.07 1wir n HIS 39 Cb 0.05 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.09 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 -0.82 -0.75 -4.53 -0.41 10.64 0.43 -4.84 117.38 117.10 1wir n GLN 40 Ca 0.10 0.12 -0.32 0.00 -1.83 0.00 0.00 57.00 55.08 1wir n GLN 40 Cb 0.05 -4.12 -0.16 0.00 -0.86 0.00 0.00 30.24 25.14 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 -3.03 2.60 -0.16 2.61 5.36 -0.03 -4.87 117.98 120.45 1wir s PHE 41 Ca 0.71 -1.35 -0.11 0.00 -0.96 0.00 0.00 56.93 55.22 1wir s PHE 41 Cb -0.41 -1.78 -0.05 0.00 -0.34 0.00 0.00 43.02 40.43 1wir s PHE 41 CO 0.91 -0.64 0.19 0.54 -1.46 0.00 0.00 175.22 174.76 1wir s ASN 42 N 0.94 6.34 0.06 6.13 2.20 -1.26 -2.98 114.94 126.38 1wir s ASN 42 Ca -0.04 0.40 0.06 0.00 -0.94 0.00 0.00 52.86 52.33 1wir s ASN 42 Cb -0.15 -2.12 -0.23 0.00 -2.00 0.00 0.00 41.25 36.75 1wir s ASN 42 CO -0.04 0.22 1.07 -0.29 -2.94 0.00 0.00 177.10 175.12 1wir h ILE 43 N 4.46 1.43 -0.71 0.54 6.09 -1.99 -3.33 117.51 124.01 1wir h ILE 43 Ca -0.45 -3.15 -0.04 0.00 -1.37 0.00 0.00 64.86 59.85 1wir h ILE 43 Cb 1.18 2.76 -0.03 0.00 0.47 0.00 0.00 36.82 41.19 1wir h ILE 43 CO 0.71 0.84 0.29 0.44 -3.07 0.00 0.00 178.15 177.36 1wir h ASP 44 N 0.02 0.97 -0.99 2.19 3.32 -1.99 -2.66 116.42 117.28 1wir h ASP 44 Ca -0.11 -0.17 0.09 0.00 0.02 0.00 0.00 57.03 56.85 1wir h ASP 44 Cb 1.88 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 41.10 1wir h ASP 44 CO 0.13 0.88 0.63 -1.28 -1.72 0.00 0.00 179.24 177.88 1wir h SER 45 N 1.01 0.97 -0.06 6.45 0.87 -2.00 -2.21 113.55 118.59 1wir h SER 45 Ca 0.24 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1wir h SER 45 Cb 0.21 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1wir h SER 45 CO -0.02 0.58 0.03 0.24 -0.53 0.00 0.00 176.83 177.13 1wir h MET 46 N 1.08 0.08 -0.83 2.24 2.86 -1.60 0.38 114.93 119.14 1wir h MET 46 Ca 0.45 -0.01 0.16 0.00 -2.06 0.00 0.00 59.70 58.24 1wir h MET 46 Cb 0.29 -0.02 -0.10 0.00 0.06 0.00 0.00 31.60 31.83 1wir h MET 46 CO -0.21 0.16 0.38 0.28 1.06 0.00 0.00 176.91 178.58 1wir h VAL 47 N -0.02 0.64 0.10 -2.22 2.07 -1.22 -0.96 116.25 114.65 1wir h VAL 47 Ca 0.02 -0.17 -0.29 0.00 0.82 0.00 0.00 66.70 67.08 1wir h VAL 47 Cb 0.10 0.09 0.02 0.00 -1.52 0.00 0.00 31.29 29.98 1wir h VAL 47 CO -0.00 0.09 -1.21 0.45 0.02 0.00 0.00 177.57 176.92 1wir h HIS 48 N 0.50 0.89 0.00 1.57 3.86 -1.22 0.11 115.15 120.86 1wir h HIS 48 Ca 0.47 -0.56 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1wir h HIS 48 Cb 0.75 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.15 1wir h HIS 48 CO -0.13 1.41 0.00 1.17 0.86 0.00 0.00 177.93 181.24 1wir n LYS 49 N -3.75 0.00 -0.84 2.45 0.00 0.13 -2.74 118.16 113.41 1wir n LYS 49 Ca -0.12 0.64 -0.14 0.00 0.00 0.00 0.00 58.31 58.69 1wir n LYS 49 Cb 0.97 -1.49 0.15 0.00 0.00 0.00 0.00 35.03 34.66 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 -2.26 2.08 -3.82 5.64 8.25 -0.49 -4.89 115.22 119.73 1wir n HIS 50 Ca 0.00 -1.33 -0.29 0.00 -0.26 0.00 0.00 57.72 55.83 1wir n HIS 50 Cb 0.00 -0.70 -0.07 0.00 1.12 0.00 0.00 29.99 30.35 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 -0.52 -0.23 3.53 -1.41 0.00 -0.54 -4.62 105.19 101.40 1wir n GLY 51 Ca 0.39 0.08 -0.35 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.35 1.20 -4.47 0.99 4.77 0.27 -4.90 117.00 111.51 1wir n LEU 52 Ca -0.02 -0.33 -0.30 0.00 -0.03 0.00 0.00 56.01 55.34 1wir n LEU 52 Cb 0.40 -1.25 0.26 0.00 -2.33 0.00 0.00 43.42 40.49 1wir n LEU 52 CO 0.70 -1.32 0.53 -1.61 -1.33 0.00 0.00 177.39 174.35 1wir s GLU 53 N 8.53 -1.74 0.17 3.23 2.02 -1.26 -3.82 118.70 125.83 1wir s GLU 53 Ca 1.15 0.17 -0.11 0.00 0.02 0.00 0.00 54.97 56.20 1wir s GLU 53 Cb -0.65 -1.51 0.20 0.00 0.10 0.00 0.00 34.13 32.27 1wir s GLU 53 CO 0.36 -4.10 1.09 0.34 0.02 0.00 0.00 175.26 172.96 1wir n PHE 54 N -5.08 0.07 -0.02 1.61 -0.00 -1.26 -0.19 117.46 112.59 1wir n PHE 54 Ca 0.11 0.86 -0.16 0.00 -0.00 0.00 0.00 57.45 58.26 1wir n PHE 54 Cb 0.59 -0.79 -0.12 0.00 -0.00 0.00 0.00 39.48 39.15 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 0.27 -0.90 -5.13 0.05 -1.99 -3.30 116.97 105.96 1wir h TYR 55 Ca 0.26 -0.17 0.17 0.00 0.05 0.00 0.00 58.73 59.04 1wir h TYR 55 Cb 0.44 -0.02 -0.16 0.00 1.01 0.00 0.00 36.73 37.99 1wir h TYR 55 CO -0.60 1.04 -0.29 0.78 -1.05 0.00 0.00 178.16 178.04 1wir h GLY 56 N -0.58 0.39 0.55 3.88 0.00 -0.84 0.83 103.07 107.30 1wir h GLY 56 Ca -0.05 0.39 0.03 0.00 0.00 0.00 0.00 47.33 47.70 1wir h GLY 56 CO 0.06 -0.29 -0.14 -1.82 0.00 0.00 0.00 176.54 174.35 1wir h TYR 57 N -0.02 -0.36 -0.76 5.60 3.20 -1.02 -2.27 116.97 121.33 1wir h TYR 57 Ca 0.39 0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.45 1wir h TYR 57 Cb 0.63 0.17 -0.14 0.00 1.54 0.00 0.00 36.73 38.94 1wir h TYR 57 CO -0.76 -0.21 -0.03 0.82 -1.64 0.00 0.00 178.16 176.35 1wir h ILE 58 N -0.20 0.31 -1.01 1.81 2.04 -0.93 0.33 117.51 119.86 1wir h ILE 58 Ca 0.07 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.94 1wir h ILE 58 Cb 0.30 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.55 1wir h ILE 58 CO -0.20 0.01 0.66 0.11 0.00 0.00 0.00 178.15 178.74 1wir h LYS 59 N 0.08 1.27 -0.27 2.37 1.57 -0.85 -1.75 116.57 118.99 1wir h LYS 59 Ca 0.41 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 59.16 1wir h LYS 59 Cb 0.72 -0.29 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 1wir h LYS 59 CO -0.69 0.84 -0.02 1.25 -0.57 0.00 0.00 179.45 180.26 1wir h LEU 60 N 1.31 -0.14 0.50 2.94 7.12 0.07 0.53 115.31 127.64 1wir h LEU 60 Ca 0.39 0.07 -0.02 0.00 0.13 0.00 0.00 57.88 58.44 1wir h LEU 60 Cb -0.05 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.21 1wir h LEU 60 CO -0.11 -0.04 -0.24 0.40 -0.13 0.00 0.00 178.44 178.32 1wir h ILE 61 N 0.06 0.00 -0.85 4.05 1.08 -1.02 -2.95 117.51 117.88 1wir h ILE 61 Ca 0.13 -0.12 0.23 0.00 -0.39 0.00 0.00 64.86 64.70 1wir h ILE 61 Cb 0.18 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.88 1wir h ILE 61 CO -0.23 0.00 0.59 0.78 -0.69 0.00 0.00 178.15 178.60 1wir h ASN 62 N -0.79 0.15 0.14 1.72 2.35 -1.31 -1.30 115.58 116.54 1wir h ASN 62 Ca -0.07 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1wir h ASN 62 Cb 0.51 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 1wir h ASN 62 CO 0.11 0.06 -0.23 0.15 -1.65 0.00 0.00 177.43 175.87 1wir h PHE 63 N 0.15 -0.61 -0.39 1.19 3.57 0.20 -1.49 116.94 119.55 1wir h PHE 63 Ca 0.42 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.90 1wir h PHE 63 Cb 1.43 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 40.40 1wir h PHE 63 CO -0.00 -0.33 0.11 0.82 -2.23 0.00 0.00 178.31 176.68 1wir h ILE 64 N -0.44 1.17 -0.37 1.41 2.04 -1.08 0.24 117.51 120.48 1wir h ILE 64 Ca 0.02 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 1wir h ILE 64 Cb 0.45 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1wir h ILE 64 CO -0.11 0.22 0.12 0.03 0.00 0.00 0.00 178.15 178.40 1wir h ARG 65 N 0.56 0.52 0.00 2.37 2.47 -0.99 0.77 114.38 120.09 1wir h ARG 65 Ca 0.13 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1wir h ARG 65 Cb 0.18 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1wir h ARG 65 CO -0.01 0.46 -0.43 1.25 0.56 0.00 0.00 179.97 181.80 1wir h LEU 66 N 0.52 0.00 -0.00 3.04 6.46 -0.60 -3.41 115.31 121.32 1wir h LEU 66 Ca 0.13 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1wir h LEU 66 Cb 0.15 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1wir h LEU 66 CO -0.01 0.69 0.00 0.11 -0.62 0.00 0.00 178.44 178.61 1wir h LYS 67 N -0.95 0.00 -4.79 1.25 1.79 -0.63 -3.48 116.57 109.77 1wir h LYS 67 Ca 0.00 -0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.20 1wir h LYS 67 Cb 0.43 -0.00 0.12 0.00 -1.58 0.00 0.00 32.23 31.20 1wir h LYS 67 CO 0.00 0.22 -0.57 0.09 -1.08 0.00 0.00 179.45 178.11 1wir n ASN 68 N -4.98 -3.07 -3.03 0.86 3.02 0.27 -5.02 115.26 103.30 1wir n ASN 68 Ca -0.08 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 1wir n ASN 68 Cb 0.13 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 35.25 1wir n ASN 68 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1wir n PRO 69 N -3.59 0.03 -4.47 3.52 -0.04 -1.26 -5.06 135.00 124.12 1wir n PRO 69 Ca -0.15 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.02 1wir n PRO 69 Cb 0.61 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.48 2.19 0.26 0.52 -1.32 -1.26 -4.91 115.64 110.64 1wir s THR 70 Ca 0.00 -1.67 -0.03 0.00 -1.21 0.00 0.00 61.69 58.78 1wir s THR 70 Cb 0.00 -1.93 0.39 0.00 -1.51 0.00 0.00 72.50 69.45 1wir s THR 70 CO 0.00 0.13 1.39 0.52 -2.21 0.00 0.00 174.62 174.45 1wir n VAL 71 N 1.08 -0.37 -0.24 5.08 0.31 -1.26 0.25 118.33 123.18 1wir n VAL 71 Ca -0.18 2.00 -0.05 0.00 -0.01 0.00 0.00 64.34 66.11 1wir n VAL 71 Cb 0.53 -2.84 0.01 0.00 -0.91 0.00 0.00 33.84 30.63 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 -0.13 0.87 5.55 4.39 -1.96 -1.37 114.58 121.94 1wir h GLU 72 Ca 0.48 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.15 1wir h GLU 72 Cb 0.88 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1wir h GLU 72 CO -0.88 -0.09 -0.45 -0.92 -1.16 0.00 0.00 179.01 175.51 1wir h TYR 73 N -0.14 -1.19 -1.21 4.33 3.20 -0.52 -2.02 116.97 119.43 1wir h TYR 73 Ca 0.25 -0.02 0.45 0.00 3.14 0.00 0.00 58.73 62.54 1wir h TYR 73 Cb 0.56 0.40 -0.15 0.00 1.54 0.00 0.00 36.73 39.08 1wir h TYR 73 CO -0.68 -0.71 0.74 -1.33 -1.64 0.00 0.00 178.16 174.53 1wir n MET 74 N -5.62 -0.04 -0.03 1.82 2.81 -0.80 0.13 117.12 115.38 1wir n MET 74 Ca -0.16 1.27 -0.15 0.00 -1.81 0.00 0.00 57.70 56.85 1wir n MET 74 Cb 0.49 -2.42 -0.09 0.00 -0.71 0.00 0.00 33.22 30.50 1wir n MET 74 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1wir h ASN 75 N 0.00 0.45 -2.30 7.83 2.35 -0.83 -3.36 115.58 119.71 1wir h ASN 75 Ca 0.85 -0.64 -0.76 0.00 -0.55 0.00 0.00 56.30 55.20 1wir h ASN 75 Cb 2.56 -0.13 -0.20 0.00 0.05 0.00 0.00 38.32 40.60 1wir h ASN 75 CO -0.56 1.01 1.30 -1.20 -1.65 0.00 0.00 177.43 176.33 1wir n SER 76 N -4.39 5.38 -4.40 5.81 7.64 0.34 -4.98 113.62 119.01 1wir n SER 76 Ca -0.08 -3.07 -0.29 0.00 1.01 0.00 0.00 58.87 56.44 1wir n SER 76 Cb 0.51 -1.48 -0.13 0.00 -1.01 0.00 0.00 64.21 62.11 1wir n SER 76 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wir s ILE 77 N 0.28 2.31 0.08 0.44 -1.09 -1.22 -4.83 121.20 117.16 1wir s ILE 77 Ca 0.39 -1.77 0.03 0.00 -2.23 0.00 0.00 60.65 57.06 1wir s ILE 77 Cb -0.00 -2.03 -0.03 0.00 -1.58 0.00 0.00 42.46 38.81 1wir s ILE 77 CO -0.00 0.07 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.38 1wir s TYR 78 N -1.13 0.90 0.18 3.97 2.02 -1.26 -5.08 117.35 116.95 1wir s TYR 78 Ca 0.15 -0.68 -0.19 0.00 -0.37 0.00 0.00 57.07 55.98 1wir s TYR 78 Cb -0.10 -0.51 -0.08 0.00 -0.40 0.00 0.00 41.96 40.87 1wir s TYR 78 CO 0.07 -0.07 0.67 0.54 -1.57 0.00 0.00 175.55 175.19 1wir s ASN 79 N -2.36 7.03 0.23 2.29 2.20 -1.26 -2.88 114.94 120.19 1wir s ASN 79 Ca 0.03 1.34 -0.30 0.00 -0.94 0.00 0.00 52.86 52.99 1wir s ASN 79 Cb -0.03 -2.39 -0.09 0.00 -2.00 0.00 0.00 41.25 36.75 1wir s ASN 79 CO -0.01 0.09 1.28 -2.16 -2.94 0.00 0.00 177.10 173.36 1wir s PRO 80 N -1.80 4.41 0.63 3.55 0.04 -1.26 -5.11 135.00 135.46 1wir s PRO 80 Ca 0.39 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 63.31 1wir s PRO 80 Cb -0.17 -3.18 -0.06 0.00 0.04 0.00 0.00 34.50 31.13 1wir s PRO 80 CO 0.21 -0.19 0.61 1.33 0.04 0.00 0.00 177.00 179.00 1wir n VAL 81 N 2.20 2.41 0.89 -0.36 0.24 -1.14 -4.82 118.33 117.75 1wir n VAL 81 Ca 0.04 -0.47 0.08 0.00 -2.04 0.00 0.00 64.34 61.95 1wir n VAL 81 Cb 0.43 -0.79 0.44 0.00 -1.47 0.00 0.00 33.84 32.44 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 -0.48 0.40 -0.12 7.34 -0.04 -1.26 -2.04 135.00 138.81 1wir n PRO 82 Ca 0.12 0.05 0.10 0.00 -0.04 0.00 0.00 63.50 63.72 1wir n PRO 82 Cb 0.48 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.09 0.07 0.48 0.54 2.14 -1.26 -4.68 117.44 113.63 1wir n TRP 83 Ca 0.10 -1.01 0.00 0.00 2.07 0.00 0.00 57.50 58.66 1wir n TRP 83 Cb 0.07 -0.17 0.10 0.00 -0.81 0.00 0.00 31.31 30.50 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 -1.37 1.89 -1.67 -2.67 1.02 -0.86 -4.68 120.64 112.29 1wir n GLU 84 Ca 0.17 -0.83 -0.19 0.00 -0.02 0.00 0.00 57.16 56.28 1wir n GLU 84 Cb 0.66 -1.62 0.12 0.00 -0.02 0.00 0.00 31.44 30.58 1wir n GLU 84 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1wir n LYS 85 N 0.14 -0.49 -0.10 3.49 4.01 -1.26 -5.04 118.16 118.91 1wir n LYS 85 Ca 0.09 -1.71 -0.12 0.00 -0.51 0.00 0.00 58.31 56.06 1wir n LYS 85 Cb 0.57 -0.77 -0.13 0.00 -0.51 0.00 0.00 35.03 34.19 1wir n LYS 85 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1wir n ASP 86 N -3.32 1.29 -0.14 4.39 5.68 -1.26 -4.44 116.55 118.75 1wir n ASP 86 Ca 0.12 -0.05 0.01 0.00 -0.50 0.00 0.00 54.79 54.37 1wir n ASP 86 Cb 0.43 0.39 0.28 0.00 -1.14 0.00 0.00 41.12 41.08 1wir n ASP 86 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1wir h GLU 87 N 0.00 0.83 -0.63 0.11 4.11 -1.97 -1.95 114.58 115.08 1wir h GLU 87 Ca -0.49 -0.07 0.06 0.00 0.07 0.00 0.00 59.36 58.92 1wir h GLU 87 Cb 1.97 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 31.00 1wir h GLU 87 CO -0.02 0.59 0.42 1.88 0.07 0.00 0.00 179.01 181.95 1wir h TYR 88 N 0.85 0.66 -1.11 2.06 0.05 -1.92 -1.88 116.97 115.68 1wir h TYR 88 Ca 0.22 0.02 0.33 0.00 0.05 0.00 0.00 58.73 59.35 1wir h TYR 88 Cb -0.03 -0.22 -0.12 0.00 1.01 0.00 0.00 36.73 37.38 1wir h TYR 88 CO 0.00 0.36 0.69 -0.07 -1.05 0.00 0.00 178.16 178.09 1wir h LEU 89 N 0.66 0.42 -9.89 3.88 3.38 -1.58 -3.40 115.31 108.78 1wir h LEU 89 Ca 0.27 0.13 -0.51 0.00 0.09 0.00 0.00 57.88 57.87 1wir h LEU 89 Cb 0.23 0.08 0.04 0.00 0.09 0.00 0.00 40.66 41.10 1wir h LEU 89 CO -0.08 -0.06 0.52 -0.54 0.09 0.00 0.00 178.44 178.37 1wir s LYS 90 N -5.50 4.32 -0.41 1.13 3.01 -0.71 -4.87 119.74 116.72 1wir s LYS 90 Ca -0.09 1.88 -0.28 0.00 -1.01 0.00 0.00 55.97 56.47 1wir s LYS 90 Cb 0.28 -2.92 -0.01 0.00 -1.01 0.00 0.00 37.83 34.17 1wir s LYS 90 CO 0.80 -0.10 1.73 -1.25 0.51 0.00 0.00 175.35 177.05 1wir s PRO 91 N -1.92 3.23 0.45 -1.68 0.04 -1.26 -4.87 135.00 129.00 1wir s PRO 91 Ca 0.51 1.16 0.16 0.00 0.04 0.00 0.00 61.00 62.87 1wir s PRO 91 Cb -0.32 -4.20 1.10 0.00 0.04 0.00 0.00 34.50 31.12 1wir s PRO 91 CO 0.42 -1.98 1.96 0.28 0.04 0.00 0.00 177.00 177.72 1wir h VAL 92 N 6.75 0.83 -4.64 -0.36 2.07 -1.88 -3.43 116.25 115.60 1wir h VAL 92 Ca -0.31 -0.11 -0.23 0.00 0.82 0.00 0.00 66.70 66.87 1wir h VAL 92 Cb 1.15 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1wir h VAL 92 CO 1.08 0.06 -0.12 0.18 0.02 0.00 0.00 177.57 178.79 1wir n LEU 93 N -4.46 0.00 -4.80 2.57 4.32 -1.26 -5.09 117.00 108.28 1wir n LEU 93 Ca 0.11 -1.13 -0.34 0.00 -0.02 0.00 0.00 56.01 54.64 1wir n LEU 93 Cb 0.46 0.02 -0.07 0.00 -1.62 0.00 0.00 43.42 42.21 1wir n LEU 93 CO 0.34 -0.33 -0.23 -1.83 -1.22 0.00 0.00 177.39 174.12 1wir s GLU 94 N -2.83 3.17 -1.49 3.23 -1.05 -1.26 -4.53 118.70 113.94 1wir s GLU 94 Ca 0.09 -0.39 -0.01 0.00 -0.15 0.00 0.00 54.97 54.51 1wir s GLU 94 Cb -0.01 -2.94 0.00 0.00 -0.44 0.00 0.00 34.13 30.74 1wir s GLU 94 CO 0.06 0.68 0.17 -3.47 0.95 0.00 0.00 175.26 173.65 1wir n ASP 95 N 1.40 0.30 -4.60 0.83 2.03 -1.26 -4.76 116.55 110.48 1wir n ASP 95 Ca -0.15 -1.19 -0.43 0.00 0.52 0.00 0.00 54.79 53.55 1wir n ASP 95 Cb 0.53 -2.10 -0.03 0.00 -0.72 0.00 0.00 41.12 38.80 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 -4.35 5.59 0.32 1.67 1.11 -1.26 -4.84 116.67 114.92 1wir s ASP 96 Ca 0.02 1.75 0.11 0.00 0.18 0.00 0.00 52.55 54.61 1wir s ASP 96 Cb -0.01 -2.52 0.53 0.00 1.07 0.00 0.00 42.92 41.99 1wir s ASP 96 CO 0.96 -1.87 1.72 -0.07 1.18 0.00 0.00 175.17 177.08 1wir h LEU 97 N 14.60 0.04 -0.74 1.23 3.38 -1.90 -2.90 115.31 129.03 1wir h LEU 97 Ca -0.39 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.48 1wir h LEU 97 Cb 1.22 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1wir h LEU 97 CO 0.98 0.52 0.06 -0.07 0.09 0.00 0.00 178.44 180.02 1wir h LEU 98 N 0.03 0.99 -0.59 1.67 3.38 -1.94 -2.87 115.31 115.98 1wir h LEU 98 Ca -0.00 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 1wir h LEU 98 Cb 0.87 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1wir h LEU 98 CO 0.06 1.01 -0.24 -0.07 0.09 0.00 0.00 178.44 179.29 1wir h LEU 99 N 0.95 0.89 -1.97 1.67 4.07 -1.92 -2.65 115.31 116.35 1wir h LEU 99 Ca 0.18 -0.34 -0.05 0.00 0.08 0.00 0.00 57.88 57.76 1wir h LEU 99 Cb 0.47 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.94 1wir h LEU 99 CO 0.02 1.09 0.06 0.00 -1.08 0.00 0.00 178.44 178.53 1wir n GLN 100 N -4.10 1.65 -3.22 1.13 10.64 -1.10 -4.87 117.38 117.51 1wir n GLN 100 Ca -0.00 -0.72 -0.38 0.00 -1.83 0.00 0.00 57.00 54.06 1wir n GLN 100 Cb 0.46 -1.51 -0.06 0.00 -0.86 0.00 0.00 30.24 28.27 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 -1.14 3.80 -0.92 2.61 2.19 -1.00 -4.98 117.98 118.54 1wir s PHE 101 Ca 0.13 1.33 -0.24 0.00 0.33 0.00 0.00 56.93 58.48 1wir s PHE 101 Cb 0.10 -2.54 -0.04 0.00 -1.31 0.00 0.00 43.02 39.23 1wir s PHE 101 CO 0.03 0.55 1.91 0.16 1.83 0.00 0.00 175.22 179.70 1wir s ASP 102 N -1.19 5.26 0.18 6.13 -4.77 -1.26 -4.75 116.67 116.26 1wir s ASP 102 Ca 0.32 -0.77 0.05 0.00 -3.30 0.00 0.00 52.55 48.85 1wir s ASP 102 Cb -0.20 -2.56 0.03 0.00 -1.09 0.00 0.00 42.92 39.10 1wir s ASP 102 CO 0.20 -2.65 1.41 1.62 0.70 0.00 0.00 175.17 176.45 1wir h VAL 103 N 7.19 1.53 -0.98 2.11 3.04 -1.94 -3.25 116.25 123.96 1wir h VAL 103 Ca 0.11 -2.69 0.21 0.00 -1.01 0.00 0.00 66.70 63.32 1wir h VAL 103 Cb 1.00 2.48 -0.12 0.00 -2.01 0.00 0.00 31.29 32.65 1wir h VAL 103 CO 1.23 0.78 0.57 -0.33 -1.01 0.00 0.00 177.57 178.81 1wir h GLU 104 N 0.06 0.62 -1.11 4.17 5.08 -1.96 0.13 114.58 121.57 1wir h GLU 104 Ca -0.03 -0.04 0.32 0.00 -1.00 0.00 0.00 59.36 58.61 1wir h GLU 104 Cb 1.47 -0.14 -0.11 0.00 0.50 0.00 0.00 28.75 30.47 1wir h GLU 104 CO 0.12 0.41 0.69 0.38 -1.00 0.00 0.00 179.01 179.62 1wir h ASP 105 N 0.64 0.42 -0.21 1.42 3.04 -1.97 0.80 116.42 120.56 1wir h ASP 105 Ca 0.60 0.12 -0.07 0.00 -3.24 0.00 0.00 57.03 54.44 1wir h ASP 105 Cb 1.04 0.07 -0.02 0.00 -1.04 0.00 0.00 39.33 39.37 1wir h ASP 105 CO -0.44 -0.02 -0.08 -0.07 -2.04 0.00 0.00 179.24 176.59 1wir h LEU 106 N 0.31 0.55 -8.97 0.15 3.38 -0.96 -3.41 115.31 106.36 1wir h LEU 106 Ca 0.68 -0.14 -0.58 0.00 0.09 0.00 0.00 57.88 57.94 1wir h LEU 106 Cb 1.80 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 1wir h LEU 106 CO -0.40 0.68 1.36 -0.31 0.09 0.00 0.00 178.44 179.86 1wir s TYR 107 N -4.82 1.52 0.13 1.13 2.02 0.28 -4.97 117.35 112.64 1wir s TYR 107 Ca -0.08 0.51 0.09 0.00 -0.37 0.00 0.00 57.07 57.23 1wir s TYR 107 Cb 0.15 -4.03 -0.04 0.00 -0.40 0.00 0.00 41.96 37.63 1wir s TYR 107 CO 0.78 -3.61 -0.21 -1.83 -1.57 0.00 0.00 175.55 169.11 1wir s GLU 108 N 5.80 1.26 0.71 -0.62 4.04 -1.26 -5.02 118.70 123.59 1wir s GLU 108 Ca 0.89 -1.30 -0.13 0.00 0.04 0.00 0.00 54.97 54.46 1wir s GLU 108 Cb -0.29 -1.51 0.02 0.00 0.02 0.00 0.00 34.13 32.38 1wir s GLU 108 CO 0.34 0.34 1.10 -1.25 -1.84 0.00 0.00 175.26 173.95 1wir s PRO 109 N -2.27 2.57 -0.11 -4.83 0.04 -1.26 -4.92 135.00 124.22 1wir s PRO 109 Ca 0.12 1.30 0.02 0.00 0.04 0.00 0.00 61.00 62.48 1wir s PRO 109 Cb -0.09 -1.93 0.22 0.00 0.04 0.00 0.00 34.50 32.75 1wir s PRO 109 CO 0.06 -1.41 1.13 1.55 0.04 0.00 0.00 177.00 178.37 1wir n VAL 110 N -2.88 1.36 -3.95 -0.36 3.14 -1.26 -4.83 118.33 109.55 1wir n VAL 110 Ca 0.10 -0.52 -0.35 0.00 -2.96 0.00 0.00 64.34 60.60 1wir n VAL 110 Cb 0.52 -0.69 -0.11 0.00 -1.06 0.00 0.00 33.84 32.50 1wir n VAL 110 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1wir s SER 111 N 0.11 5.41 -0.03 6.55 0.15 -1.26 -5.09 113.70 119.54 1wir s SER 111 Ca 0.17 -0.03 -0.22 0.00 0.70 0.00 0.00 55.95 56.57 1wir s SER 111 Cb 0.14 -1.94 -0.05 0.00 -1.71 0.00 0.00 66.02 62.46 1wir s SER 111 CO 0.04 0.10 0.65 -0.89 1.20 0.00 0.00 173.24 174.34 1wir s THR 112 N 0.82 4.97 -2.00 6.45 2.01 -1.26 -4.94 115.64 121.69 1wir s THR 112 Ca 0.03 1.35 0.12 0.00 0.31 0.00 0.00 61.69 63.50 1wir s THR 112 Cb -0.14 -3.99 0.33 0.00 0.01 0.00 0.00 72.50 68.72 1wir s THR 112 CO 0.02 0.33 1.13 -0.81 -0.69 0.00 0.00 174.62 174.61 1wir n PRO 113 N 3.25 0.49 -3.77 4.92 -0.04 -1.26 -4.29 135.00 134.30 1wir n PRO 113 Ca -0.04 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.12 1wir n PRO 113 Cb 0.51 -1.38 -0.15 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.00 2.04 -0.66 0.54 0.08 -1.26 -5.06 117.98 111.66 1wir s PHE 114 Ca 0.18 -2.02 -0.01 0.00 0.12 0.00 0.00 56.93 55.20 1wir s PHE 114 Cb 0.08 -1.91 0.17 0.00 -0.57 0.00 0.00 43.02 40.78 1wir s PHE 114 CO 0.14 -0.88 0.48 0.45 -0.10 0.00 0.00 175.22 175.31 1wir s SER 115 N 1.34 5.18 0.31 1.36 0.15 -1.26 -5.04 113.70 115.75 1wir s SER 115 Ca 0.11 -3.12 -0.19 0.00 0.70 0.00 0.00 55.95 53.45 1wir s SER 115 Cb -0.18 -1.81 0.04 0.00 -1.71 0.00 0.00 66.02 62.35 1wir s SER 115 CO -0.19 -0.29 0.79 -0.94 1.20 0.00 0.00 173.24 173.81 1wir s SER 116 N 0.20 -0.11 0.00 5.45 1.04 -1.26 -5.13 113.70 113.89 1wir s SER 116 Ca 0.19 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1wir s SER 116 Cb -0.18 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1wir s SER 116 CO -0.05 -1.45 0.00 0.61 0.98 0.00 0.00 173.24 173.33 1wir n GLY 117 N -0.51 -1.11 3.55 7.32 0.00 -1.26 -5.10 105.19 108.08 1wir n GLY 117 Ca -0.06 0.57 -0.39 0.00 0.00 0.00 0.00 46.02 46.14 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 2.64 -0.46 1.61 0.04 -1.26 -4.95 135.00 132.62 1wir s PRO 118 Ca 0.00 0.63 -0.20 0.00 0.04 0.00 0.00 61.00 61.47 1wir s PRO 118 Cb 0.00 -4.38 0.03 0.00 0.04 0.00 0.00 34.50 30.19 1wir s PRO 118 CO 0.00 -2.71 0.65 0.45 0.04 0.00 0.00 177.00 175.43 1wir s SER 119 N 8.05 6.29 -0.24 6.66 0.15 -1.26 -4.88 113.70 128.47 1wir s SER 119 Ca 0.68 -0.51 -0.13 0.00 0.70 0.00 0.00 55.95 56.69 1wir s SER 119 Cb -0.13 -2.32 -0.10 0.00 -1.71 0.00 0.00 66.02 61.76 1wir s SER 119 CO 0.21 -0.84 -0.32 -1.54 1.20 0.00 0.00 173.24 171.95 1wir n SER 120 N 6.30 1.75 0.00 5.45 3.41 -1.26 -5.36 113.62 123.91 1wir n SER 120 Ca -0.03 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1wir n SER 120 Cb 0.47 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1wir n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49