#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 2.66 -0.29 1.61 0.15 -1.26 -5.09 113.70 111.48 1wir s SER 2 Ca 0.00 -3.14 -0.08 0.00 0.70 0.00 0.00 55.95 53.43 1wir s SER 2 Cb 0.00 -0.80 -0.00 0.00 -1.71 0.00 0.00 66.02 63.50 1wir s SER 2 CO 0.00 -0.17 0.11 -0.94 1.20 0.00 0.00 173.24 173.44 1wir s SER 3 N -0.20 5.31 -0.21 5.45 1.04 -1.26 -5.08 113.70 118.75 1wir s SER 3 Ca 0.28 -0.55 -0.13 0.00 0.48 0.00 0.00 55.95 56.02 1wir s SER 3 Cb -0.04 -1.94 -0.04 0.00 0.10 0.00 0.00 66.02 64.10 1wir s SER 3 CO -0.15 -0.17 0.28 -0.83 0.98 0.00 0.00 173.24 173.35 1wir s GLY 4 N 1.57 2.05 -0.26 7.32 0.00 -1.26 -5.05 107.32 111.69 1wir s GLY 4 Ca 0.04 -0.68 -0.04 0.00 0.00 0.00 0.00 44.72 44.04 1wir s GLY 4 CO 0.04 0.59 0.48 -0.45 0.00 0.00 0.00 173.10 173.76 1wir s SER 5 N 0.98 -0.47 -0.30 1.64 0.15 -1.26 -5.13 113.70 109.30 1wir s SER 5 Ca 0.14 0.72 -0.13 0.00 0.70 0.00 0.00 55.95 57.37 1wir s SER 5 Cb -0.14 1.59 0.17 0.00 -1.71 0.00 0.00 66.02 65.93 1wir s SER 5 CO 0.06 -0.27 0.95 -0.55 1.20 0.00 0.00 173.24 174.63 1wir s SER 6 N 2.69 -0.65 0.00 5.45 0.15 -1.26 -5.16 113.70 114.92 1wir s SER 6 Ca 0.10 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.52 1wir s SER 6 Cb -0.14 1.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.86 1wir s SER 6 CO -0.17 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1wir n GLY 7 N 5.11 0.80 3.57 9.45 0.00 -1.26 -4.96 105.19 117.90 1wir n GLY 7 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1wir n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wir s GLU 8 N 0.62 3.67 0.00 1.61 2.12 -1.26 -4.92 118.70 120.54 1wir s GLU 8 Ca 0.00 -0.05 0.16 0.00 0.36 0.00 0.00 54.97 55.43 1wir s GLU 8 Cb 0.00 -3.80 0.92 0.00 0.26 0.00 0.00 34.13 31.51 1wir s GLU 8 CO 0.00 -0.66 1.35 -0.35 -0.54 0.00 0.00 175.26 175.05 1wir n PRO 9 N 5.85 0.47 -1.90 4.30 -0.04 -1.26 -4.79 135.00 137.63 1wir n PRO 9 Ca -0.03 0.01 -0.32 0.00 -0.04 0.00 0.00 63.50 63.11 1wir n PRO 9 Cb 0.49 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.47 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 -2.03 2.72 0.59 0.55 0.00 -1.26 -5.06 121.76 117.27 1wir s ALA 10 Ca 0.23 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1wir s ALA 10 Cb 0.11 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 20.06 1wir s ALA 10 CO 0.18 -0.94 0.83 -3.38 0.00 0.00 0.00 175.76 172.45 1wir s HIS 11 N -2.64 2.64 0.00 0.00 -3.43 -1.26 -5.12 115.29 105.48 1wir s HIS 11 Ca 0.62 -0.03 0.00 0.00 -0.80 0.00 0.00 55.06 54.85 1wir s HIS 11 Cb -0.15 -2.83 0.00 0.00 -1.43 0.00 0.00 32.58 28.17 1wir s HIS 11 CO 0.42 -1.06 0.00 0.41 -2.00 0.00 0.00 174.74 172.51 1wir n GLY 12 N -2.47 5.77 0.03 -1.38 0.00 -1.26 -5.06 105.19 100.81 1wir n GLY 12 Ca 0.09 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1wir n GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1wir n ARG 13 N 0.00 0.65 -4.00 1.61 1.85 -1.26 -4.99 116.66 110.51 1wir n ARG 13 Ca 0.00 -0.44 -0.35 0.00 -1.00 0.00 0.00 57.85 56.06 1wir n ARG 13 Cb 0.00 -0.92 -0.11 0.00 -1.05 0.00 0.00 32.46 30.38 1wir n ARG 13 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1wir s GLN 14 N -0.27 3.83 0.02 2.89 2.00 -1.26 -5.10 119.66 121.78 1wir s GLN 14 Ca 0.01 -0.41 0.02 0.00 -2.00 0.00 0.00 55.36 52.98 1wir s GLN 14 Cb 0.01 -3.20 -0.02 0.00 0.80 0.00 0.00 33.01 30.60 1wir s GLN 14 CO 0.02 0.13 -0.07 -1.01 -0.50 0.00 0.00 175.29 173.85 1wir s HIS 15 N 0.74 0.65 -0.13 1.67 3.76 -1.26 -4.42 115.29 116.29 1wir s HIS 15 Ca 0.03 -0.32 0.02 0.00 -0.15 0.00 0.00 55.06 54.63 1wir s HIS 15 Cb -0.14 -0.39 0.00 0.00 1.11 0.00 0.00 32.58 33.16 1wir s HIS 15 CO 0.02 -0.04 -0.19 -0.08 -0.85 0.00 0.00 174.74 173.60 1wir s THR 16 N -0.82 2.39 1.00 1.30 -1.32 0.53 -4.82 115.64 113.90 1wir s THR 16 Ca -0.04 -0.88 -0.12 0.00 -1.21 0.00 0.00 61.69 59.44 1wir s THR 16 Cb -0.07 -1.97 0.19 0.00 -1.51 0.00 0.00 72.50 69.14 1wir s THR 16 CO 0.00 0.54 1.09 -2.16 -2.21 0.00 0.00 174.62 171.88 1wir s PRO 17 N 0.62 0.45 0.63 7.08 0.04 -1.26 -0.50 135.00 142.07 1wir s PRO 17 Ca -0.10 0.53 -0.09 0.00 0.04 0.00 0.00 61.00 61.38 1wir s PRO 17 Cb -0.16 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1wir s PRO 17 CO 0.03 -2.72 0.99 0.00 0.04 0.00 0.00 177.00 175.34 1wir h LEU 19 N -0.37 0.26 0.12 0.00 -0.00 -1.92 -3.40 115.31 110.01 1wir h LEU 19 Ca -0.45 -0.84 -0.19 0.00 -0.00 0.00 0.00 57.88 56.40 1wir h LEU 19 Cb 1.24 -0.09 0.01 0.00 -0.00 0.00 0.00 40.66 41.83 1wir h LEU 19 CO 0.62 1.45 -0.89 -0.26 -0.00 0.00 0.00 178.44 179.36 1wir h PHE 20 N -0.56 0.45 -4.77 1.13 -1.00 -1.92 -3.43 116.94 106.85 1wir h PHE 20 Ca -0.23 -0.33 -0.27 0.00 2.81 0.00 0.00 57.97 59.95 1wir h PHE 20 Cb 1.53 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 41.04 1wir h PHE 20 CO 0.16 1.34 -0.14 0.00 -1.61 0.00 0.00 178.31 178.06 1wir n ASP 22 N -1.80 6.59 -4.69 0.00 8.00 -1.26 -3.51 116.55 119.88 1wir n ASP 22 Ca -0.02 -3.79 -0.38 0.00 0.71 0.00 0.00 54.79 51.31 1wir n ASP 22 Cb 0.28 -0.81 -0.07 0.00 -0.02 0.00 0.00 41.12 40.51 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 4.23 0.07 -1.24 0.52 -1.26 -4.75 118.95 112.69 1wir s ARG 23 Ca 0.54 0.31 -0.19 0.00 -0.52 0.00 0.00 55.73 55.87 1wir s ARG 23 Cb 0.45 -3.51 -0.07 0.00 0.52 0.00 0.00 34.95 32.34 1wir s ARG 23 CO -0.19 0.00 0.56 -0.51 0.02 0.00 0.00 175.30 175.18 1wir s LEU 24 N 1.16 4.52 -0.04 2.53 1.43 -1.26 0.63 118.68 127.65 1wir s LEU 24 Ca 0.22 1.25 -0.01 0.00 -1.03 0.00 0.00 54.13 54.56 1wir s LEU 24 Cb -0.15 -2.90 0.03 0.00 0.03 0.00 0.00 46.19 43.20 1wir s LEU 24 CO 0.09 0.27 0.05 -0.36 0.23 0.00 0.00 176.35 176.62 1wir s PHE 25 N -1.12 0.12 0.29 0.29 0.08 0.35 -4.90 117.98 113.09 1wir s PHE 25 Ca 0.29 0.18 0.02 0.00 0.12 0.00 0.00 56.93 57.55 1wir s PHE 25 Cb -0.19 -0.45 0.74 0.00 -0.57 0.00 0.00 43.02 42.55 1wir s PHE 25 CO 0.19 -0.18 1.62 0.00 -0.10 0.00 0.00 175.22 176.75 1wir h ALA 26 N 8.11 1.26 -1.85 5.36 0.00 -1.85 0.15 119.26 130.44 1wir h ALA 26 Ca -0.22 0.26 -0.62 0.00 0.00 0.00 0.00 54.91 54.34 1wir h ALA 26 Cb 1.12 0.40 -0.13 0.00 0.00 0.00 0.00 17.79 19.19 1wir h ALA 26 CO 0.25 -0.52 -0.65 -1.12 0.00 0.00 0.00 179.25 177.21 1wir s SER 27 N -5.04 3.85 0.02 0.00 0.01 -1.26 -4.34 113.70 106.94 1wir s SER 27 Ca -0.12 -1.21 -0.21 0.00 1.31 0.00 0.00 55.95 55.72 1wir s SER 27 Cb 0.27 -0.39 -0.17 0.00 0.21 0.00 0.00 66.02 65.94 1wir s SER 27 CO 0.77 -0.28 1.24 0.00 0.41 0.00 0.00 173.24 175.38 1wir h ALA 28 N 1.91 0.17 -0.85 1.44 0.00 -1.87 -3.24 119.26 116.82 1wir h ALA 28 Ca -0.43 -0.40 0.21 0.00 0.00 0.00 0.00 54.91 54.29 1wir h ALA 28 Cb 1.25 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 1wir h ALA 28 CO 0.73 0.17 0.27 0.93 0.00 0.00 0.00 179.25 181.34 1wir h GLU 29 N -0.09 0.27 -0.41 0.00 5.08 -1.96 0.70 114.58 118.17 1wir h GLU 29 Ca -0.00 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.42 1wir h GLU 29 Cb 0.87 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.00 1wir h GLU 29 CO 0.06 0.18 -0.01 0.93 -1.00 0.00 0.00 179.01 179.16 1wir h GLU 30 N 0.28 0.09 0.55 2.33 3.07 -1.95 -1.85 114.58 117.10 1wir h GLU 30 Ca 0.52 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.35 1wir h GLU 30 Cb 1.01 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 1wir h GLU 30 CO -0.59 0.06 -0.30 1.15 -1.40 0.00 0.00 179.01 177.93 1wir h THR 31 N 0.09 0.00 -0.92 1.13 2.02 -0.96 -2.04 112.91 112.23 1wir h THR 31 Ca 0.20 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.46 1wir h THR 31 Cb 0.29 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.59 1wir h THR 31 CO -0.35 0.00 -0.55 0.49 0.37 0.00 0.00 175.52 175.49 1wir n PHE 32 N -4.23 -0.41 -0.34 3.16 3.72 -0.88 0.90 117.46 119.38 1wir n PHE 32 Ca -0.10 1.16 0.17 0.00 -0.05 0.00 0.00 57.45 58.63 1wir n PHE 32 Cb 0.32 -0.57 0.38 0.00 -0.94 0.00 0.00 39.48 38.67 1wir n PHE 32 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1wir h SER 33 N 0.00 0.68 -0.43 4.37 0.02 -1.33 0.59 113.55 117.44 1wir h SER 33 Ca 0.15 0.11 -0.13 0.00 -0.84 0.00 0.00 61.79 61.08 1wir h SER 33 Cb 0.38 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1wir h SER 33 CO -0.87 0.17 -0.24 -0.74 -1.14 0.00 0.00 176.83 174.01 1wir h HIS 34 N 0.62 1.08 0.00 3.45 -0.00 0.13 -2.42 115.15 118.00 1wir h HIS 34 Ca 0.61 -0.28 -0.05 0.00 -0.00 0.00 0.00 60.37 60.65 1wir h HIS 34 Cb 1.14 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 28.30 1wir h HIS 34 CO -0.00 1.08 -0.25 0.00 -0.00 0.00 0.00 177.93 178.76 1wir h LYS 36 N 0.00 0.00 0.04 0.00 1.57 0.25 1.20 116.57 119.62 1wir h LYS 36 Ca -0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.41 1wir h LYS 36 Cb 0.94 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.21 1wir h LYS 36 CO 0.03 0.17 -2.08 1.28 -0.57 0.00 0.00 179.45 178.29 1wir n LEU 37 N -3.16 2.38 -0.02 2.94 4.77 -0.93 -3.72 117.00 119.27 1wir n LEU 37 Ca 0.03 0.20 -0.01 0.00 -0.03 0.00 0.00 56.01 56.20 1wir n LEU 37 Cb 0.58 -0.96 -0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1wir n LEU 37 CO 0.36 0.68 -0.10 -0.33 -1.33 0.00 0.00 177.39 176.66 1wir h GLU 38 N -0.45 0.00 0.00 3.23 4.39 -1.33 -3.37 114.58 117.05 1wir h GLU 38 Ca -0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.19 1wir h GLU 38 Cb 1.73 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.38 1wir h GLU 38 CO -0.15 0.00 0.00 0.72 -1.16 0.00 0.00 179.01 178.42 1wir n HIS 39 N -3.03 0.00 -2.70 4.33 8.25 -0.55 -4.83 115.22 116.69 1wir n HIS 39 Ca -0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.38 1wir n HIS 39 Cb 0.08 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 1wir n HIS 39 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1wir n GLN 40 N -0.93 -2.59 -3.70 -0.41 1.13 0.38 -4.85 117.38 106.42 1wir n GLN 40 Ca 0.14 0.02 -0.39 0.00 -1.94 0.00 0.00 57.00 54.83 1wir n GLN 40 Cb 0.06 -4.33 -0.12 0.00 0.11 0.00 0.00 30.24 25.97 1wir n GLN 40 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1wir s PHE 41 N -2.09 3.27 -0.15 1.08 5.36 0.89 -4.88 117.98 121.46 1wir s PHE 41 Ca 0.12 -1.34 -0.18 0.00 -0.96 0.00 0.00 56.93 54.57 1wir s PHE 41 Cb -0.07 -2.41 -0.04 0.00 -0.34 0.00 0.00 43.02 40.16 1wir s PHE 41 CO 0.14 -0.73 0.47 -0.80 -1.46 0.00 0.00 175.22 172.85 1wir s ASN 42 N 1.53 6.61 0.02 6.13 0.01 -1.26 -3.70 114.94 124.27 1wir s ASN 42 Ca -0.00 0.73 -0.20 0.00 -0.71 0.00 0.00 52.86 52.68 1wir s ASN 42 Cb -0.20 -2.28 -0.19 0.00 0.41 0.00 0.00 41.25 39.00 1wir s ASN 42 CO 0.04 -0.05 1.21 -0.29 -1.51 0.00 0.00 177.10 176.49 1wir h ILE 43 N 4.86 1.41 -0.25 0.60 6.09 -1.98 -3.21 117.51 125.03 1wir h ILE 43 Ca -0.39 -1.69 0.06 0.00 -1.37 0.00 0.00 64.86 61.47 1wir h ILE 43 Cb 1.17 2.26 -0.08 0.00 0.47 0.00 0.00 36.82 40.64 1wir h ILE 43 CO 0.75 0.49 -0.37 -0.78 -3.07 0.00 0.00 178.15 175.17 1wir h ASP 44 N -0.10 -1.19 -0.81 2.19 1.82 -2.00 -0.58 116.42 115.76 1wir h ASP 44 Ca -0.02 0.18 0.18 0.00 -0.39 0.00 0.00 57.03 56.98 1wir h ASP 44 Cb 0.96 0.51 -0.11 0.00 0.68 0.00 0.00 39.33 41.37 1wir h ASP 44 CO 0.07 -0.37 0.29 -1.28 -1.61 0.00 0.00 179.24 176.34 1wir h SER 45 N -0.37 0.20 -0.06 2.28 0.87 -2.00 -0.51 113.55 113.96 1wir h SER 45 Ca 0.12 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1wir h SER 45 Cb 0.57 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1wir h SER 45 CO -0.45 0.01 0.04 0.24 -0.53 0.00 0.00 176.83 176.14 1wir h MET 46 N 0.36 0.08 -0.28 2.24 2.86 -1.16 0.27 114.93 119.31 1wir h MET 46 Ca 0.47 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 58.17 1wir h MET 46 Cb 0.83 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.41 1wir h MET 46 CO -0.50 0.06 -0.14 0.28 1.06 0.00 0.00 176.91 177.67 1wir h VAL 47 N 0.07 0.57 -0.40 -2.22 2.07 0.10 0.30 116.25 116.73 1wir h VAL 47 Ca 0.02 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 1wir h VAL 47 Cb -0.00 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1wir h VAL 47 CO -0.00 0.00 -0.00 0.45 0.02 0.00 0.00 177.57 178.03 1wir h HIS 48 N -0.11 0.78 0.00 1.57 3.86 -1.16 0.46 115.15 120.56 1wir h HIS 48 Ca 0.15 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1wir h HIS 48 Cb 0.33 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.59 1wir h HIS 48 CO -0.33 0.79 0.00 1.17 0.86 0.00 0.00 177.93 180.42 1wir n LYS 49 N -4.44 0.00 -0.33 2.45 4.81 0.94 -2.51 118.16 119.08 1wir n LYS 49 Ca -0.01 0.59 -0.02 0.00 -0.87 0.00 0.00 58.31 58.00 1wir n LYS 49 Cb 0.29 -1.49 0.10 0.00 0.02 0.00 0.00 35.03 33.95 1wir n LYS 49 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1wir n HIS 50 N -2.17 0.80 -3.77 5.64 8.25 0.04 -4.87 115.22 119.15 1wir n HIS 50 Ca 0.00 -0.53 -0.26 0.00 -0.26 0.00 0.00 57.72 56.66 1wir n HIS 50 Cb 0.00 -0.34 -0.07 0.00 1.12 0.00 0.00 29.99 30.71 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 0.10 -0.18 3.53 -1.41 0.00 0.11 -4.60 105.19 102.74 1wir n GLY 51 Ca 0.13 0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 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 0.88 -4.41 0.99 4.77 0.12 -4.89 117.00 111.11 1wir n LEU 52 Ca -0.09 -0.72 -0.30 0.00 -0.03 0.00 0.00 56.01 54.88 1wir n LEU 52 Cb 0.42 -1.24 0.27 0.00 -2.33 0.00 0.00 43.42 40.54 1wir n LEU 52 CO 0.66 -1.74 0.47 -1.61 -1.33 0.00 0.00 177.39 173.84 1wir s GLU 53 N 8.33 -1.99 0.17 3.23 2.02 -1.26 -3.82 118.70 125.37 1wir s GLU 53 Ca 1.12 0.36 -0.11 0.00 0.02 0.00 0.00 54.97 56.36 1wir s GLU 53 Cb -0.52 -1.47 0.21 0.00 0.10 0.00 0.00 34.13 32.45 1wir s GLU 53 CO 0.32 -4.32 1.11 0.34 0.02 0.00 0.00 175.26 172.74 1wir n PHE 54 N -5.27 0.08 -0.05 1.61 7.35 -1.26 -0.51 117.46 119.42 1wir n PHE 54 Ca 0.09 0.88 -0.15 0.00 -0.76 0.00 0.00 57.45 57.51 1wir n PHE 54 Cb 0.58 -0.80 -0.13 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 0.09 -0.94 -5.13 0.05 -1.99 -3.34 116.97 105.71 1wir h TYR 55 Ca 0.27 -0.06 0.16 0.00 0.05 0.00 0.00 58.73 59.15 1wir h TYR 55 Cb 0.45 -0.01 -0.16 0.00 1.01 0.00 0.00 36.73 38.02 1wir h TYR 55 CO -0.61 0.97 -0.32 0.41 -1.05 0.00 0.00 178.16 177.55 1wir n GLY 56 N 1.38 -1.82 0.20 3.88 0.00 0.34 0.36 105.19 109.54 1wir n GLY 56 Ca -0.10 1.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.94 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 -0.02 -0.56 1.61 3.20 -1.14 -1.22 116.97 118.84 1wir h TYR 57 Ca 0.37 0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.38 1wir h TYR 57 Cb 0.60 0.09 -0.09 0.00 1.54 0.00 0.00 36.73 38.87 1wir h TYR 57 CO -0.79 -0.12 0.06 0.82 -1.64 0.00 0.00 178.16 176.49 1wir h ILE 58 N 0.12 0.61 -0.99 1.81 2.04 -0.21 -0.28 117.51 120.60 1wir h ILE 58 Ca 0.26 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 66.09 1wir h ILE 58 Cb 0.40 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 1wir h ILE 58 CO -0.43 0.03 0.66 0.11 0.00 0.00 0.00 178.15 178.52 1wir h LYS 59 N 0.18 1.27 -0.30 2.37 1.57 -0.77 -2.18 116.57 118.70 1wir h LYS 59 Ca 0.29 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 59.03 1wir h LYS 59 Cb 0.44 -0.29 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1wir h LYS 59 CO -0.43 0.84 0.11 1.25 -0.57 0.00 0.00 179.45 180.65 1wir h LEU 60 N 1.30 0.12 0.29 2.94 7.12 -0.32 0.46 115.31 127.23 1wir h LEU 60 Ca 0.38 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.41 1wir h LEU 60 Cb -0.08 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.07 1wir h LEU 60 CO -0.10 0.11 -0.14 0.40 -0.13 0.00 0.00 178.44 178.58 1wir h ILE 61 N 0.24 0.00 -1.00 4.05 1.08 -0.97 -2.90 117.51 118.01 1wir h ILE 61 Ca 0.13 -0.02 0.19 0.00 -0.39 0.00 0.00 64.86 64.77 1wir h ILE 61 Cb 0.10 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.74 1wir h ILE 61 CO -0.13 0.00 0.61 0.78 -0.69 0.00 0.00 178.15 178.72 1wir h ASN 62 N -0.41 0.77 -0.49 1.72 2.35 -1.42 -1.63 115.58 116.47 1wir h ASN 62 Ca -0.04 0.09 0.09 0.00 -0.55 0.00 0.00 56.30 55.89 1wir h ASN 62 Cb 0.30 -0.05 -0.10 0.00 0.05 0.00 0.00 38.32 38.52 1wir h ASN 62 CO 0.07 0.28 -0.31 0.15 -1.65 0.00 0.00 177.43 175.97 1wir h PHE 63 N 0.75 -0.85 0.00 1.19 3.57 -0.01 0.63 116.94 122.23 1wir h PHE 63 Ca 0.57 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 62.12 1wir h PHE 63 Cb 0.90 0.44 -0.00 0.00 2.79 0.00 0.00 35.95 40.09 1wir h PHE 63 CO -0.00 -0.37 -0.04 0.82 -2.23 0.00 0.00 178.31 176.48 1wir h ILE 64 N -0.19 0.24 0.14 1.41 2.04 -1.09 0.20 117.51 120.25 1wir h ILE 64 Ca 0.21 -0.31 -0.31 0.00 1.00 0.00 0.00 64.86 65.45 1wir h ILE 64 Cb 0.53 1.24 0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1wir h ILE 64 CO -0.60 0.04 -1.28 0.03 0.00 0.00 0.00 178.15 176.34 1wir h ARG 65 N 0.00 0.62 0.07 2.37 2.47 0.33 0.45 114.38 120.69 1wir h ARG 65 Ca -0.00 -0.85 -0.10 0.00 -1.26 0.00 0.00 59.98 57.76 1wir h ARG 65 Cb 0.24 0.29 0.01 0.00 -1.65 0.00 0.00 29.97 28.86 1wir h ARG 65 CO 0.01 1.39 -0.45 1.25 0.56 0.00 0.00 179.97 182.73 1wir h LEU 66 N 0.25 0.24 0.00 3.04 6.46 -0.20 -3.40 115.31 121.70 1wir h LEU 66 Ca -0.20 -0.97 0.00 0.00 -0.12 0.00 0.00 57.88 56.59 1wir h LEU 66 Cb 1.96 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.81 1wir h LEU 66 CO 0.25 1.21 -0.19 0.11 -0.62 0.00 0.00 178.44 179.19 1wir h LYS 67 N -0.67 0.00 -3.16 1.25 1.79 -0.78 -3.50 116.57 111.50 1wir h LYS 67 Ca -0.08 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.31 1wir h LYS 67 Cb 1.34 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 32.04 1wir h LYS 67 CO 0.08 0.00 -0.20 -1.71 -1.08 0.00 0.00 179.45 176.53 1wir n ASN 68 N -4.53 -2.42 -2.65 0.86 2.85 0.15 -5.02 115.26 104.50 1wir n ASN 68 Ca -0.03 -0.16 0.00 0.00 -0.11 0.00 0.00 54.58 54.28 1wir n ASN 68 Cb 0.10 -1.68 0.00 0.00 1.24 0.00 0.00 39.78 39.45 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 -1.84 -0.75 -4.69 1.20 -0.04 -1.26 -5.05 135.00 122.57 1wir n PRO 69 Ca -0.05 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.09 1wir n PRO 69 Cb 0.54 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.88 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 -0.86 3.15 0.08 0.52 -1.32 -1.26 -4.94 115.64 111.01 1wir s THR 70 Ca 0.00 -0.89 -0.16 0.00 -1.21 0.00 0.00 61.69 59.44 1wir s THR 70 Cb 0.00 -2.31 -0.04 0.00 -1.51 0.00 0.00 72.50 68.65 1wir s THR 70 CO 0.00 0.45 1.00 0.52 -2.21 0.00 0.00 174.62 174.38 1wir n VAL 71 N 1.84 -0.34 -0.30 5.08 0.31 -1.26 0.14 118.33 123.80 1wir n VAL 71 Ca -0.16 1.56 0.21 0.00 -0.01 0.00 0.00 64.34 65.94 1wir n VAL 71 Cb 0.52 -1.96 0.40 0.00 -0.91 0.00 0.00 33.84 31.89 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 -4.24 -0.06 0.14 5.55 2.13 -1.26 0.58 120.64 123.48 1wir n GLU 72 Ca 0.01 1.30 -0.14 0.00 0.66 0.00 0.00 57.16 59.00 1wir n GLU 72 Cb 0.13 -2.20 -0.08 0.00 0.27 0.00 0.00 31.44 29.56 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 -0.29 -1.85 4.31 3.20 0.91 -2.53 116.97 120.72 1wir h TYR 73 Ca 0.66 -0.01 0.54 0.00 3.14 0.00 0.00 58.73 63.05 1wir h TYR 73 Cb 1.57 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 39.86 1wir h TYR 73 CO -0.24 -0.07 1.35 0.52 -1.64 0.00 0.00 178.16 178.07 1wir h MET 74 N -0.46 0.00 0.19 1.82 2.86 0.60 1.53 114.93 121.46 1wir h MET 74 Ca -0.03 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.29 1wir h MET 74 Cb 0.35 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.02 1wir h MET 74 CO 0.05 0.00 -1.51 -0.91 1.06 0.00 0.00 176.91 175.60 1wir h ASN 75 N 0.00 0.62 -0.83 1.22 2.35 -1.25 -3.34 115.58 114.33 1wir h ASN 75 Ca 0.88 -0.75 -0.47 0.00 -0.55 0.00 0.00 56.30 55.41 1wir h ASN 75 Cb 3.56 -0.20 -0.14 0.00 0.05 0.00 0.00 38.32 41.59 1wir h ASN 75 CO -0.01 1.60 0.58 -0.24 -1.65 0.00 0.00 177.43 177.72 1wir n SER 76 N -3.59 6.49 -4.19 5.81 2.88 0.52 -4.88 113.62 116.66 1wir n SER 76 Ca -0.17 -3.03 -0.29 0.00 -1.33 0.00 0.00 58.87 54.05 1wir n SER 76 Cb 1.07 -1.30 -0.16 0.00 -0.75 0.00 0.00 64.21 63.07 1wir n SER 76 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1wir s ILE 77 N -1.34 1.71 0.06 2.46 1.01 -1.18 -4.96 121.20 118.97 1wir s ILE 77 Ca 0.60 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 60.33 1wir s ILE 77 Cb 0.34 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 1wir s ILE 77 CO -0.16 0.48 0.12 -0.72 0.00 0.00 0.00 174.94 174.66 1wir s TYR 78 N 0.05 0.24 0.27 3.97 1.13 -1.26 -5.07 117.35 116.67 1wir s TYR 78 Ca -0.06 -0.65 -0.30 0.00 -1.41 0.00 0.00 57.07 54.65 1wir s TYR 78 Cb -0.13 -0.15 -0.10 0.00 -1.10 0.00 0.00 41.96 40.48 1wir s TYR 78 CO 0.04 -0.46 1.36 -0.80 -2.51 0.00 0.00 175.55 173.18 1wir s ASN 79 N -2.65 6.76 0.30 -0.18 0.01 -1.26 -3.24 114.94 114.68 1wir s ASN 79 Ca 0.02 2.61 -0.29 0.00 -0.71 0.00 0.00 52.86 54.50 1wir s ASN 79 Cb 0.04 -2.63 -0.10 0.00 0.41 0.00 0.00 41.25 38.97 1wir s ASN 79 CO -0.09 -0.60 1.24 -2.16 -1.51 0.00 0.00 177.10 173.98 1wir s PRO 80 N -0.84 4.45 0.50 -0.60 0.04 -1.26 -5.14 135.00 132.15 1wir s PRO 80 Ca 0.55 2.06 -0.20 0.00 0.04 0.00 0.00 61.00 63.45 1wir s PRO 80 Cb -0.40 -3.13 -0.08 0.00 0.04 0.00 0.00 34.50 30.93 1wir s PRO 80 CO 0.46 -0.06 1.03 0.14 0.04 0.00 0.00 177.00 178.61 1wir s VAL 81 N -0.97 3.85 -2.00 -0.36 -7.23 -1.20 -4.92 120.40 107.57 1wir s VAL 81 Ca 0.48 1.11 0.14 0.00 -1.81 0.00 0.00 61.98 61.91 1wir s VAL 81 Cb -0.37 -3.46 0.41 0.00 0.56 0.00 0.00 36.38 33.52 1wir s VAL 81 CO 0.47 -0.29 1.27 -0.81 -0.31 0.00 0.00 175.10 175.43 1wir n PRO 82 N -1.10 0.49 -0.11 4.82 -0.04 -1.26 -1.95 135.00 135.85 1wir n PRO 82 Ca 0.09 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.61 1wir n PRO 82 Cb 0.53 -1.46 0.09 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.96 0.00 -0.15 0.54 2.14 -1.26 -4.77 117.44 112.99 1wir n TRP 83 Ca 0.11 -0.72 -0.06 0.00 2.07 0.00 0.00 57.50 58.90 1wir n TRP 83 Cb 0.05 -0.11 0.02 0.00 -0.81 0.00 0.00 31.31 30.46 1wir n TRP 83 CO 0.00 0.00 0.00 -1.91 2.07 0.00 0.00 177.69 177.85 1wir n GLU 84 N -1.00 1.29 -3.65 -2.67 0.00 -0.82 -4.79 120.64 109.01 1wir n GLU 84 Ca 0.10 -0.60 -0.24 0.00 0.00 0.00 0.00 57.16 56.41 1wir n GLU 84 Cb 0.56 -1.24 0.01 0.00 0.00 0.00 0.00 31.44 30.78 1wir n GLU 84 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1wir s LYS 85 N -0.69 2.28 -0.19 5.31 -0.14 -1.26 -5.02 119.74 120.03 1wir s LYS 85 Ca 0.12 -1.90 -0.02 0.00 -1.36 0.00 0.00 55.97 52.80 1wir s LYS 85 Cb 0.09 -2.26 -0.22 0.00 -1.68 0.00 0.00 37.83 33.77 1wir s LYS 85 CO 0.01 -0.67 0.07 -0.25 -0.76 0.00 0.00 175.35 173.75 1wir n ASP 86 N -1.88 2.05 -0.28 2.83 8.00 -1.26 -4.27 116.55 121.74 1wir n ASP 86 Ca 0.03 0.04 0.21 0.00 0.71 0.00 0.00 54.79 55.78 1wir n ASP 86 Cb 0.63 -0.64 0.52 0.00 -0.02 0.00 0.00 41.12 41.61 1wir n ASP 86 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wir h GLU 87 N 0.03 0.38 -0.79 -1.24 5.08 -1.97 0.15 114.58 116.22 1wir h GLU 87 Ca -0.50 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 57.80 1wir h GLU 87 Cb 1.97 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 31.09 1wir h GLU 87 CO -0.00 0.25 0.35 1.88 -1.00 0.00 0.00 179.01 180.49 1wir h TYR 88 N 0.40 1.18 -1.00 4.33 0.05 -1.92 -2.80 116.97 117.20 1wir h TYR 88 Ca 0.52 -0.07 0.38 0.00 0.05 0.00 0.00 58.73 59.61 1wir h TYR 88 Cb 1.33 -0.36 -0.18 0.00 1.01 0.00 0.00 36.73 38.54 1wir h TYR 88 CO -0.00 0.87 0.41 -0.07 -1.05 0.00 0.00 178.16 178.32 1wir h LEU 89 N 1.14 0.12 -9.90 3.88 3.38 -0.88 -3.39 115.31 109.64 1wir h LEU 89 Ca 0.27 0.26 -0.52 0.00 0.09 0.00 0.00 57.88 57.98 1wir h LEU 89 Cb 0.17 0.32 0.07 0.00 0.09 0.00 0.00 40.66 41.31 1wir h LEU 89 CO -0.03 -0.41 0.60 -0.54 0.09 0.00 0.00 178.44 178.16 1wir s LYS 90 N -5.65 4.21 -0.68 1.13 1.02 -1.06 -4.83 119.74 113.88 1wir s LYS 90 Ca -0.10 2.12 -0.26 0.00 0.02 0.00 0.00 55.97 57.75 1wir s LYS 90 Cb 0.33 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.68 1wir s LYS 90 CO 0.78 -0.27 1.88 -1.25 -0.92 0.00 0.00 175.35 175.57 1wir s PRO 91 N -1.98 2.61 0.43 -1.68 0.04 -1.26 -4.84 135.00 128.32 1wir s PRO 91 Ca 0.52 0.41 0.29 0.00 0.04 0.00 0.00 61.00 62.25 1wir s PRO 91 Cb -0.37 -4.54 1.40 0.00 0.04 0.00 0.00 34.50 31.03 1wir s PRO 91 CO 0.49 -2.88 1.62 0.28 0.04 0.00 0.00 177.00 176.55 1wir h VAL 92 N 6.97 0.12 -4.83 -0.36 2.07 -1.89 -3.40 116.25 114.93 1wir h VAL 92 Ca -0.18 -0.03 -0.26 0.00 0.82 0.00 0.00 66.70 67.05 1wir h VAL 92 Cb 1.13 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1wir h VAL 92 CO 1.22 0.02 -0.13 0.18 0.02 0.00 0.00 177.57 178.87 1wir n LEU 93 N -4.75 0.00 -4.68 2.57 4.32 -1.26 -5.09 117.00 108.11 1wir n LEU 93 Ca 0.37 -1.31 -0.33 0.00 -0.02 0.00 0.00 56.01 54.72 1wir n LEU 93 Cb 1.40 -0.01 -0.09 0.00 -1.62 0.00 0.00 43.42 43.10 1wir n LEU 93 CO 0.19 -0.40 -0.32 -0.70 -1.22 0.00 0.00 177.39 174.93 1wir s GLU 94 N -3.02 2.78 -1.33 3.23 2.56 -1.26 -4.63 118.70 117.03 1wir s GLU 94 Ca 0.14 -0.61 -0.13 0.00 0.00 0.00 0.00 54.97 54.36 1wir s GLU 94 Cb -0.01 -2.66 0.01 0.00 2.00 0.00 0.00 34.13 33.47 1wir s GLU 94 CO 0.09 0.63 0.48 -3.47 -0.56 0.00 0.00 175.26 172.42 1wir n ASP 95 N 1.42 -2.08 -4.68 -1.70 -0.08 -1.26 -4.85 116.55 103.32 1wir n ASP 95 Ca -0.15 -1.13 -0.42 0.00 -1.51 0.00 0.00 54.79 51.58 1wir n ASP 95 Cb 0.53 -2.51 -0.03 0.00 2.34 0.00 0.00 41.12 41.45 1wir n ASP 95 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1wir s ASP 96 N -3.98 6.97 0.13 1.67 1.11 -1.26 -4.89 116.67 116.41 1wir s ASP 96 Ca 0.22 1.84 -0.05 0.00 0.18 0.00 0.00 52.55 54.75 1wir s ASP 96 Cb -0.10 -2.55 -0.09 0.00 1.07 0.00 0.00 42.92 41.25 1wir s ASP 96 CO 0.92 -0.68 1.31 -0.07 1.18 0.00 0.00 175.17 177.84 1wir h LEU 97 N 8.80 0.58 -1.47 1.23 3.38 -1.91 -3.07 115.31 122.84 1wir h LEU 97 Ca -0.33 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.20 1wir h LEU 97 Cb 1.15 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1wir h LEU 97 CO 0.92 1.23 0.29 -0.07 0.09 0.00 0.00 178.44 180.90 1wir h LEU 98 N 0.27 0.56 -0.21 1.67 3.38 -1.95 0.82 115.31 119.85 1wir h LEU 98 Ca -0.07 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 1wir h LEU 98 Cb 1.54 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1wir h LEU 98 CO 0.16 0.44 -0.34 -0.07 0.09 0.00 0.00 178.44 178.72 1wir h LEU 99 N 0.66 0.66 -0.77 1.67 4.07 -1.96 -3.00 115.31 116.63 1wir h LEU 99 Ca 0.17 -0.53 0.00 0.00 0.08 0.00 0.00 57.88 57.61 1wir h LEU 99 Cb -0.03 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.53 1wir h LEU 99 CO -0.03 1.06 0.00 0.06 -1.08 0.00 0.00 178.44 178.45 1wir h GLN 100 N 0.28 0.00 -6.35 1.13 3.07 -1.35 -3.45 115.11 108.43 1wir h GLN 100 Ca 0.02 0.00 -0.58 0.00 0.09 0.00 0.00 58.65 58.18 1wir h GLN 100 Cb 0.93 0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.51 1wir h GLN 100 CO 0.08 0.00 1.10 0.34 0.09 0.00 0.00 178.83 180.43 1wir n PHE 101 N -2.74 2.41 -1.50 0.06 -0.00 0.24 -4.77 117.46 111.16 1wir n PHE 101 Ca 0.02 -0.08 -0.12 0.00 -0.00 0.00 0.00 57.45 57.27 1wir n PHE 101 Cb 0.34 -2.69 -0.10 0.00 -0.00 0.00 0.00 39.48 37.03 1wir n PHE 101 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1wir n ASP 102 N 6.32 0.87 0.26 -2.13 5.68 -1.26 -4.66 116.55 121.63 1wir n ASP 102 Ca 0.21 -2.33 0.10 0.00 -0.50 0.00 0.00 54.79 52.27 1wir n ASP 102 Cb 0.33 -1.58 0.68 0.00 -1.14 0.00 0.00 41.12 39.41 1wir n ASP 102 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 1wir h VAL 103 N 6.76 0.87 -0.04 2.12 3.04 -1.89 -1.46 116.25 125.64 1wir h VAL 103 Ca 0.00 -0.22 0.01 0.00 -1.01 0.00 0.00 66.70 65.49 1wir h VAL 103 Cb 1.00 1.12 -0.00 0.00 -2.01 0.00 0.00 31.29 31.40 1wir h VAL 103 CO 1.00 0.06 0.04 1.05 -1.01 0.00 0.00 177.57 178.71 1wir h GLU 104 N 0.00 0.00 0.00 4.17 4.11 -1.96 -0.99 114.58 119.91 1wir h GLU 104 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1wir h GLU 104 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1wir h GLU 104 CO 0.01 0.00 0.16 0.22 0.07 0.00 0.00 179.01 179.47 1wir h ASP 105 N 0.00 0.00 0.27 3.06 3.58 -1.64 0.65 116.42 122.34 1wir h ASP 105 Ca 0.02 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.25 1wir h ASP 105 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1wir h ASP 105 CO -0.00 0.00 -0.89 -0.07 -2.88 0.00 0.00 179.24 175.40 1wir h LEU 106 N 0.00 0.56 -8.58 2.28 3.38 -1.38 -3.44 115.31 108.14 1wir h LEU 106 Ca 0.00 -0.43 -0.68 0.00 0.09 0.00 0.00 57.88 56.86 1wir h LEU 106 Cb 0.32 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1wir h LEU 106 CO 0.00 1.22 1.38 -1.22 0.09 0.00 0.00 178.44 179.90 1wir n TYR 107 N -3.78 1.63 -1.68 1.13 4.01 0.22 -4.80 117.16 113.89 1wir n TYR 107 Ca -0.06 0.30 -0.55 0.00 -0.16 0.00 0.00 57.90 57.43 1wir n TYR 107 Cb 0.81 -2.52 -0.07 0.00 -0.31 0.00 0.00 39.34 37.25 1wir n TYR 107 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1wir n GLU 108 N 7.97 1.31 -2.02 -0.72 -0.58 -1.26 -4.79 120.64 120.54 1wir n GLU 108 Ca 0.40 0.48 -0.29 0.00 -0.42 0.00 0.00 57.16 57.33 1wir n GLU 108 Cb 0.22 -2.17 -0.06 0.00 -0.57 0.00 0.00 31.44 28.85 1wir n GLU 108 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1wir n PRO 109 N 4.91 1.60 -3.18 3.49 -0.04 -1.26 -4.71 135.00 135.81 1wir n PRO 109 Ca 0.24 -2.44 -0.22 0.00 -0.04 0.00 0.00 63.50 61.04 1wir n PRO 109 Cb 0.17 -3.69 -0.05 0.00 -0.04 0.00 0.00 33.50 29.89 1wir n PRO 109 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1wir n VAL 110 N 7.70 0.39 -3.64 0.52 0.31 -1.26 -5.07 118.33 117.28 1wir n VAL 110 Ca 0.45 -4.61 -0.06 0.00 -0.01 0.00 0.00 64.34 60.11 1wir n VAL 110 Cb 0.46 -1.18 -0.07 0.00 -0.91 0.00 0.00 33.84 32.14 1wir n VAL 110 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1wir s SER 111 N -2.17 -0.25 -0.29 4.52 0.01 -1.26 -5.14 113.70 109.12 1wir s SER 111 Ca 0.40 0.48 -0.14 0.00 1.31 0.00 0.00 55.95 57.99 1wir s SER 111 Cb 0.26 0.48 -0.03 0.00 0.21 0.00 0.00 66.02 66.94 1wir s SER 111 CO -0.09 -0.08 0.33 0.42 0.41 0.00 0.00 173.24 174.23 1wir s THR 112 N 0.11 5.20 0.30 1.44 -4.23 -1.26 -4.96 115.64 112.23 1wir s THR 112 Ca 0.05 0.34 0.08 0.00 -1.18 0.00 0.00 61.69 60.98 1wir s THR 112 Cb -0.05 -3.70 0.02 0.00 1.34 0.00 0.00 72.50 70.11 1wir s THR 112 CO -0.11 0.10 1.69 1.55 -0.54 0.00 0.00 174.62 177.31 1wir h PRO 113 N 8.30 0.16 -6.04 3.99 0.13 -2.05 -3.46 132.00 133.02 1wir h PRO 113 Ca -0.32 -0.08 -0.45 0.00 -0.87 0.00 0.00 66.00 64.28 1wir h PRO 113 Cb 1.16 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.19 1wir h PRO 113 CO 0.64 0.60 -0.69 0.34 -0.23 0.00 0.00 178.00 178.66 1wir n PHE 114 N -3.98 -1.91 -3.48 1.56 7.35 -1.26 -4.93 117.46 110.82 1wir n PHE 114 Ca -0.02 0.68 -0.38 0.00 -0.76 0.00 0.00 57.45 56.98 1wir n PHE 114 Cb 0.51 -3.23 -0.06 0.00 0.35 0.00 0.00 39.48 37.05 1wir n PHE 114 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1wir s SER 115 N -3.03 6.72 -0.23 -2.13 1.04 -1.26 -5.07 113.70 109.75 1wir s SER 115 Ca 0.57 0.86 -0.04 0.00 0.48 0.00 0.00 55.95 57.82 1wir s SER 115 Cb -0.30 -2.24 0.08 0.00 0.10 0.00 0.00 66.02 63.66 1wir s SER 115 CO 0.71 0.23 0.13 -0.94 0.98 0.00 0.00 173.24 174.35 1wir s SER 116 N -0.54 2.75 -0.31 7.02 1.04 -1.26 -5.06 113.70 117.33 1wir s SER 116 Ca 0.23 -0.88 -0.12 0.00 0.48 0.00 0.00 55.95 55.67 1wir s SER 116 Cb -0.16 -0.20 0.19 0.00 0.10 0.00 0.00 66.02 65.95 1wir s SER 116 CO 0.11 -0.39 1.10 -0.83 0.98 0.00 0.00 173.24 174.21 1wir s GLY 117 N 2.15 -1.49 0.00 7.32 0.00 -1.26 -5.00 107.32 109.03 1wir s GLY 117 Ca 0.06 1.50 0.03 0.00 0.00 0.00 0.00 44.72 46.31 1wir s GLY 117 CO -0.22 4.35 0.66 -1.55 0.00 0.00 0.00 173.10 176.34 1wir n PRO 118 N 3.79 0.49 -3.28 2.90 -0.04 -1.26 -4.80 135.00 132.80 1wir n PRO 118 Ca 0.06 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.35 1wir n PRO 118 Cb 0.63 -1.10 0.06 0.00 -0.04 0.00 0.00 33.50 33.05 1wir n PRO 118 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wir n SER 119 N -0.60 -4.73 -0.02 3.54 3.41 -1.26 -4.93 113.62 109.03 1wir n SER 119 Ca 0.02 -0.41 -0.17 0.00 -0.26 0.00 0.00 58.87 58.05 1wir n SER 119 Cb 0.01 -3.91 -0.07 0.00 -0.26 0.00 0.00 64.21 59.99 1wir n SER 119 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1wir h SER 120 N -1.93 0.94 0.00 4.04 4.64 -2.02 -3.57 113.55 115.65 1wir h SER 120 Ca -0.43 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.28 1wir h SER 120 Cb 1.27 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1wir h SER 120 CO 0.41 1.41 0.00 0.61 -0.87 0.00 0.00 176.83 178.39