#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wir h SER 2 N 0.00 -0.25 -2.11 1.61 0.02 -2.14 -3.39 113.55 107.29 1wir h SER 2 Ca 0.00 0.07 -0.58 0.00 -0.84 0.00 0.00 61.79 60.44 1wir h SER 2 Cb 0.00 0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1wir h SER 2 CO 0.00 -0.09 1.43 -0.55 -1.14 0.00 0.00 176.83 176.48 1wir s SER 3 N -5.17 5.66 -0.36 3.07 0.15 -1.26 -4.92 113.70 110.86 1wir s SER 3 Ca -0.14 1.98 -0.00 0.00 0.70 0.00 0.00 55.95 58.49 1wir s SER 3 Cb 0.10 -2.51 0.13 0.00 -1.71 0.00 0.00 66.02 62.03 1wir s SER 3 CO 0.68 -1.79 0.20 -0.83 1.20 0.00 0.00 173.24 172.71 1wir s GLY 4 N 7.47 1.00 -0.20 9.45 0.00 -1.26 -5.09 107.32 118.68 1wir s GLY 4 Ca 0.97 -1.91 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1wir s GLY 4 CO 0.36 1.94 -0.07 -0.45 0.00 0.00 0.00 173.10 174.89 1wir s SER 5 N 1.07 3.41 -0.16 1.64 0.15 -1.26 -5.10 113.70 113.46 1wir s SER 5 Ca 0.16 -0.94 -0.01 0.00 0.70 0.00 0.00 55.95 55.86 1wir s SER 5 Cb -0.22 -1.11 0.05 0.00 -1.71 0.00 0.00 66.02 63.03 1wir s SER 5 CO -0.05 -0.20 -0.01 -0.55 1.20 0.00 0.00 173.24 173.64 1wir s SER 6 N 1.47 2.65 -0.17 5.45 0.15 -1.26 -5.12 113.70 116.88 1wir s SER 6 Ca -0.02 -0.63 -0.16 0.00 0.70 0.00 0.00 55.95 55.84 1wir s SER 6 Cb -0.17 -0.71 0.04 0.00 -1.71 0.00 0.00 66.02 63.48 1wir s SER 6 CO -0.07 -0.24 0.45 -0.83 1.20 0.00 0.00 173.24 173.75 1wir s GLY 7 N 1.78 -0.34 -0.35 9.45 0.00 -1.26 -5.06 107.32 111.54 1wir s GLY 7 Ca 0.01 1.26 0.12 0.00 0.00 0.00 0.00 44.72 46.11 1wir s GLY 7 CO -0.07 1.09 1.08 -1.84 0.00 0.00 0.00 173.10 173.35 1wir n GLU 8 N 2.83 2.51 -1.20 2.90 0.28 -1.26 -5.10 120.64 121.60 1wir n GLU 8 Ca -0.13 -3.91 -0.30 0.00 -0.16 0.00 0.00 57.16 52.66 1wir n GLU 8 Cb 0.57 -1.85 0.14 0.00 1.43 0.00 0.00 31.44 31.73 1wir n GLU 8 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1wir s PRO 9 N -3.46 1.20 -0.04 3.44 0.04 -1.26 -5.07 135.00 129.85 1wir s PRO 9 Ca 0.39 0.80 0.05 0.00 0.04 0.00 0.00 61.00 62.28 1wir s PRO 9 Cb 0.41 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 33.14 1wir s PRO 9 CO -0.06 -2.28 -0.19 0.00 0.04 0.00 0.00 177.00 174.52 1wir s ALA 10 N -2.94 1.67 -0.22 8.56 0.00 -1.26 -5.12 121.76 122.45 1wir s ALA 10 Ca 0.64 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 1wir s ALA 10 Cb -0.18 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.44 1wir s ALA 10 CO 0.57 0.33 -0.10 -1.01 0.00 0.00 0.00 175.76 175.56 1wir s HIS 11 N -0.12 2.95 -0.46 0.00 3.76 -1.26 -5.05 115.29 115.11 1wir s HIS 11 Ca -0.01 -1.39 -0.27 0.00 -0.15 0.00 0.00 55.06 53.24 1wir s HIS 11 Cb -0.11 -2.03 -0.08 0.00 1.11 0.00 0.00 32.58 31.47 1wir s HIS 11 CO 0.02 -0.69 2.38 0.41 -0.85 0.00 0.00 174.74 176.01 1wir n GLY 12 N 4.69 0.34 3.17 -2.22 0.00 -1.26 -4.92 105.19 105.00 1wir n GLY 12 Ca -0.18 0.73 -0.11 0.00 0.00 0.00 0.00 46.02 46.45 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 7.81 0.84 -0.05 1.61 6.06 -1.26 -5.16 118.95 128.80 1wir s ARG 13 Ca 1.02 -1.31 0.04 0.00 -2.50 0.00 0.00 55.73 52.98 1wir s ARG 13 Cb -0.31 -0.26 -0.03 0.00 0.06 0.00 0.00 34.95 34.41 1wir s ARG 13 CO 0.31 -0.00 -0.15 1.14 -2.50 0.00 0.00 175.30 174.09 1wir s GLN 14 N -3.66 2.49 -0.08 5.12 0.00 -1.26 -5.12 119.66 117.15 1wir s GLN 14 Ca 0.11 -0.71 -0.07 0.00 -0.00 0.00 0.00 55.36 54.69 1wir s GLN 14 Cb 0.04 -2.36 0.02 0.00 0.00 0.00 0.00 33.01 30.72 1wir s GLN 14 CO -0.04 0.61 0.21 -1.01 0.00 0.00 0.00 175.29 175.06 1wir s HIS 15 N -0.69 -0.24 -0.16 9.60 3.76 -1.26 -4.50 115.29 121.80 1wir s HIS 15 Ca 0.11 0.58 0.00 0.00 -0.15 0.00 0.00 55.06 55.60 1wir s HIS 15 Cb -0.11 0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.65 1wir s HIS 15 CO 0.01 -0.13 -0.16 -0.08 -0.85 0.00 0.00 174.74 173.53 1wir s THR 16 N 0.29 2.54 0.94 1.30 -1.32 -0.42 -4.84 115.64 114.13 1wir s THR 16 Ca -0.02 -0.81 -0.12 0.00 -1.21 0.00 0.00 61.69 59.54 1wir s THR 16 Cb -0.03 -2.07 0.15 0.00 -1.51 0.00 0.00 72.50 69.04 1wir s THR 16 CO -0.01 0.52 1.09 -2.16 -2.21 0.00 0.00 174.62 171.85 1wir s PRO 17 N 0.94 0.93 0.61 7.08 0.04 -1.26 -1.46 135.00 141.89 1wir s PRO 17 Ca -0.03 0.70 -0.10 0.00 0.04 0.00 0.00 61.00 61.61 1wir s PRO 17 Cb -0.15 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 1wir s PRO 17 CO -0.02 -2.43 1.00 0.00 0.04 0.00 0.00 177.00 175.58 1wir h LEU 19 N -0.28 0.30 0.05 0.00 -0.00 -1.94 -3.39 115.31 110.05 1wir h LEU 19 Ca -0.45 -0.92 -0.07 0.00 -0.00 0.00 0.00 57.88 56.43 1wir h LEU 19 Cb 1.21 -0.10 0.01 0.00 -0.00 0.00 0.00 40.66 41.78 1wir h LEU 19 CO 0.62 1.32 -0.32 -0.26 -0.00 0.00 0.00 178.44 179.80 1wir h PHE 20 N -0.58 0.22 -5.59 1.13 0.04 -1.90 -3.42 116.94 106.84 1wir h PHE 20 Ca -0.14 -0.16 -0.47 0.00 2.80 0.00 0.00 57.97 60.00 1wir h PHE 20 Cb 1.46 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.57 1wir h PHE 20 CO 0.20 1.11 -0.21 0.00 -0.60 0.00 0.00 178.31 178.82 1wir n ASP 22 N -1.92 6.66 -4.71 0.00 8.00 -1.26 -3.47 116.55 119.85 1wir n ASP 22 Ca -0.00 -3.79 -0.37 0.00 0.71 0.00 0.00 54.79 51.34 1wir n ASP 22 Cb 0.51 -0.82 -0.07 0.00 -0.02 0.00 0.00 41.12 40.72 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 -3.84 4.22 0.17 -1.24 0.52 -1.26 -4.78 118.95 112.74 1wir s ARG 23 Ca 0.55 0.07 -0.16 0.00 -0.52 0.00 0.00 55.73 55.67 1wir s ARG 23 Cb 0.45 -3.46 -0.07 0.00 0.52 0.00 0.00 34.95 32.38 1wir s ARG 23 CO -0.20 0.15 0.61 -0.51 0.02 0.00 0.00 175.30 175.37 1wir s LEU 24 N 0.73 4.33 -0.03 2.53 1.43 -1.26 0.07 118.68 126.49 1wir s LEU 24 Ca 0.16 1.18 -0.00 0.00 -1.03 0.00 0.00 54.13 54.44 1wir s LEU 24 Cb -0.13 -3.38 0.03 0.00 0.03 0.00 0.00 46.19 42.73 1wir s LEU 24 CO 0.05 0.07 0.02 -0.36 0.23 0.00 0.00 176.35 176.36 1wir s PHE 25 N -1.50 0.20 0.21 0.29 0.40 -0.53 -4.93 117.98 112.12 1wir s PHE 25 Ca 0.40 0.07 -0.16 0.00 -0.60 0.00 0.00 56.93 56.63 1wir s PHE 25 Cb -0.15 -0.38 0.21 0.00 0.51 0.00 0.00 43.02 43.21 1wir s PHE 25 CO 0.20 -0.13 1.41 0.00 0.70 0.00 0.00 175.22 177.40 1wir n ALA 26 N 4.33 -0.13 -2.67 5.36 0.00 -1.26 -1.30 120.51 124.84 1wir n ALA 26 Ca -0.24 0.90 -0.30 0.00 0.00 0.00 0.00 53.44 53.81 1wir n ALA 26 Cb 0.50 -0.39 -0.09 0.00 0.00 0.00 0.00 19.45 19.47 1wir n ALA 26 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wir s SER 27 N -5.33 3.83 -0.02 0.00 0.01 -1.26 -4.12 113.70 106.80 1wir s SER 27 Ca -0.12 -1.52 -0.21 0.00 1.31 0.00 0.00 55.95 55.40 1wir s SER 27 Cb 0.18 0.10 -0.14 0.00 0.21 0.00 0.00 66.02 66.38 1wir s SER 27 CO 0.65 -0.68 0.93 0.00 0.41 0.00 0.00 173.24 174.55 1wir h ALA 28 N 1.60 -0.48 -0.91 1.44 0.00 -1.91 -3.24 119.26 115.77 1wir h ALA 28 Ca -0.43 -0.18 0.30 0.00 0.00 0.00 0.00 54.91 54.59 1wir h ALA 28 Cb 1.28 0.18 -0.17 0.00 0.00 0.00 0.00 17.79 19.08 1wir h ALA 28 CO 0.76 -0.52 0.18 0.39 0.00 0.00 0.00 179.25 180.06 1wir n GLU 29 N -5.12 -0.07 -0.04 0.00 4.71 -1.26 0.81 120.64 119.67 1wir n GLU 29 Ca -0.09 1.32 -0.08 0.00 -0.01 0.00 0.00 57.16 58.31 1wir n GLU 29 Cb 0.27 -2.19 -0.02 0.00 -1.01 0.00 0.00 31.44 28.49 1wir n GLU 29 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1wir h GLU 30 N 0.00 -0.13 0.58 3.49 3.07 -1.95 -1.49 114.58 118.16 1wir h GLU 30 Ca 0.63 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.47 1wir h GLU 30 Cb 1.45 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.39 1wir h GLU 30 CO -0.80 -0.09 -0.33 1.15 -1.40 0.00 0.00 179.01 177.55 1wir h THR 31 N -0.14 0.00 -0.99 1.13 2.02 0.33 -0.92 112.91 114.34 1wir h THR 31 Ca 0.13 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.44 1wir h THR 31 Cb 0.33 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.59 1wir h THR 31 CO -0.31 0.00 -0.44 -0.26 0.37 0.00 0.00 175.52 174.88 1wir h PHE 32 N -0.84 -1.32 -0.98 3.16 0.04 -1.32 0.78 116.94 116.46 1wir h PHE 32 Ca -0.08 0.11 0.07 0.00 2.80 0.00 0.00 57.97 60.87 1wir h PHE 32 Cb 0.66 0.72 -0.07 0.00 2.20 0.00 0.00 35.95 39.46 1wir h PHE 32 CO 0.01 -0.40 0.63 0.77 -0.60 0.00 0.00 178.31 178.72 1wir h SER 33 N -0.00 1.00 -0.69 2.17 0.02 -1.21 -1.40 113.55 113.44 1wir h SER 33 Ca 0.29 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1wir h SER 33 Cb 0.55 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 1wir h SER 33 CO -0.97 0.63 0.43 -0.74 -1.14 0.00 0.00 176.83 175.04 1wir h HIS 34 N 1.13 0.90 -0.26 3.45 -0.00 0.19 -1.97 115.15 118.60 1wir h HIS 34 Ca 0.43 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.72 1wir h HIS 34 Cb 0.18 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.28 1wir h HIS 34 CO -0.01 0.60 -0.20 0.00 -0.00 0.00 0.00 177.93 178.32 1wir h LYS 36 N 0.42 0.00 0.01 0.00 1.57 -0.70 1.94 116.57 119.80 1wir h LYS 36 Ca 0.07 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.52 1wir h LYS 36 Cb 0.59 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 1wir h LYS 36 CO 0.04 0.03 -1.78 1.28 -0.57 0.00 0.00 179.45 178.45 1wir n LEU 37 N -3.14 1.99 -0.01 2.94 4.77 -0.80 -3.71 117.00 119.04 1wir n LEU 37 Ca 0.01 0.36 -0.01 0.00 -0.03 0.00 0.00 56.01 56.34 1wir n LEU 37 Cb 0.33 -0.93 -0.00 0.00 -2.33 0.00 0.00 43.42 40.49 1wir n LEU 37 CO 0.28 0.44 -0.04 -0.33 -1.33 0.00 0.00 177.39 176.41 1wir h GLU 38 N -0.89 0.00 0.00 3.23 4.39 -0.87 -3.36 114.58 117.08 1wir h GLU 38 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1wir h GLU 38 Cb 1.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 1wir h GLU 38 CO -0.26 0.00 0.00 0.72 -1.16 0.00 0.00 179.01 178.31 1wir n HIS 39 N -2.64 0.00 -4.03 4.33 8.25 0.08 -4.84 115.22 116.38 1wir n HIS 39 Ca -0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1wir n HIS 39 Cb 0.03 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.07 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 -0.83 -0.78 -5.03 -0.41 10.64 0.64 -4.83 117.38 116.78 1wir n GLN 40 Ca 0.11 0.11 -0.31 0.00 -1.83 0.00 0.00 57.00 55.08 1wir n GLN 40 Cb 0.05 -3.80 -0.17 0.00 -0.86 0.00 0.00 30.24 25.46 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 -3.02 2.44 -0.18 2.61 2.19 -0.11 -4.87 117.98 117.05 1wir s PHE 41 Ca 0.61 -1.05 -0.07 0.00 0.33 0.00 0.00 56.93 56.75 1wir s PHE 41 Cb -0.36 -1.65 -0.04 0.00 -1.31 0.00 0.00 43.02 39.66 1wir s PHE 41 CO 0.85 -0.44 0.07 1.21 1.83 0.00 0.00 175.22 178.73 1wir s ASN 42 N 0.49 5.67 0.08 6.13 3.04 -1.26 -2.94 114.94 126.15 1wir s ASN 42 Ca -0.16 0.11 -0.09 0.00 0.04 0.00 0.00 52.86 52.75 1wir s ASN 42 Cb -0.17 -1.96 -0.22 0.00 -1.54 0.00 0.00 41.25 37.36 1wir s ASN 42 CO 0.06 0.19 1.18 -0.29 -3.04 0.00 0.00 177.10 175.20 1wir h ILE 43 N 4.80 1.36 -0.91 -5.21 6.09 -2.00 -3.28 117.51 118.36 1wir h ILE 43 Ca -0.38 -2.56 0.07 0.00 -1.37 0.00 0.00 64.86 60.62 1wir h ILE 43 Cb 1.17 2.64 -0.07 0.00 0.47 0.00 0.00 36.82 41.03 1wir h ILE 43 CO 0.70 0.77 0.57 -2.24 -3.07 0.00 0.00 178.15 174.87 1wir h ASP 44 N 0.23 0.88 -0.86 2.19 3.04 -2.00 -1.68 116.42 118.22 1wir h ASP 44 Ca -0.14 0.02 0.09 0.00 -3.24 0.00 0.00 57.03 53.76 1wir h ASP 44 Cb 1.81 -0.16 -0.07 0.00 -1.04 0.00 0.00 39.33 39.87 1wir h ASP 44 CO 0.21 0.54 0.51 -1.28 -2.04 0.00 0.00 179.24 177.18 1wir h SER 45 N 1.00 0.75 0.69 4.15 0.87 -2.00 -2.53 113.55 116.49 1wir h SER 45 Ca 0.41 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.98 1wir h SER 45 Cb 0.24 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1wir h SER 45 CO -0.19 0.44 -0.36 0.24 -0.53 0.00 0.00 176.83 176.42 1wir h MET 46 N 0.87 -0.93 -0.87 2.24 2.86 -1.41 0.49 114.93 118.16 1wir h MET 46 Ca 0.40 0.06 0.23 0.00 -2.06 0.00 0.00 59.70 58.34 1wir h MET 46 Cb 0.33 0.21 -0.14 0.00 0.06 0.00 0.00 31.60 32.06 1wir h MET 46 CO -0.23 -0.62 0.21 0.28 1.06 0.00 0.00 176.91 177.61 1wir h VAL 47 N -0.97 0.30 -0.01 -2.22 2.07 -1.28 0.50 116.25 114.64 1wir h VAL 47 Ca -0.09 -0.07 -0.22 0.00 0.82 0.00 0.00 66.70 67.15 1wir h VAL 47 Cb 0.76 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1wir h VAL 47 CO 0.13 0.03 -0.90 0.45 0.02 0.00 0.00 177.57 177.31 1wir h HIS 48 N 0.19 0.57 0.05 1.57 -0.00 -1.20 -0.44 115.15 115.89 1wir h HIS 48 Ca 0.54 -0.30 -0.00 0.00 -0.00 0.00 0.00 60.37 60.61 1wir h HIS 48 Cb 1.09 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.44 1wir h HIS 48 CO -0.28 1.11 -0.03 -0.22 -0.00 0.00 0.00 177.93 178.51 1wir h LYS 49 N 0.23 -0.07 -0.95 2.45 3.64 0.38 -3.23 116.57 119.02 1wir h LYS 49 Ca -0.07 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1wir h LYS 49 Cb 1.52 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.33 1wir h LYS 49 CO 0.15 -0.05 0.05 0.72 -2.27 0.00 0.00 179.45 178.05 1wir n HIS 50 N -2.29 0.47 -3.58 1.91 8.25 0.13 -4.86 115.22 115.26 1wir n HIS 50 Ca -0.01 -0.38 -0.26 0.00 -0.26 0.00 0.00 57.72 56.82 1wir n HIS 50 Cb 0.03 -0.26 -0.06 0.00 1.12 0.00 0.00 29.99 30.82 1wir n HIS 50 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wir n GLY 51 N 0.15 -0.20 3.64 -1.41 0.00 -0.50 -4.70 105.19 102.16 1wir n GLY 51 Ca 0.08 0.07 -0.47 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.03 3.41 -4.94 0.99 4.77 -0.29 -4.96 117.00 112.95 1wir n LEU 52 Ca -0.02 0.80 -0.29 0.00 -0.03 0.00 0.00 56.01 56.48 1wir n LEU 52 Cb 0.35 -1.41 0.17 0.00 -2.33 0.00 0.00 43.42 40.21 1wir n LEU 52 CO 0.62 -0.16 0.82 -1.61 -1.33 0.00 0.00 177.39 175.72 1wir s GLU 53 N 4.67 0.84 0.14 3.23 2.02 -1.26 -4.38 118.70 123.96 1wir s GLU 53 Ca 0.95 -0.53 -0.18 0.00 0.02 0.00 0.00 54.97 55.23 1wir s GLU 53 Cb -0.62 -1.93 0.05 0.00 0.10 0.00 0.00 34.13 31.73 1wir s GLU 53 CO 0.48 -2.23 1.11 0.34 0.02 0.00 0.00 175.26 174.97 1wir n PHE 54 N -3.60 -0.16 -0.02 1.61 7.35 -1.26 0.04 117.46 121.43 1wir n PHE 54 Ca 0.15 0.89 -0.16 0.00 -0.76 0.00 0.00 57.45 57.57 1wir n PHE 54 Cb 0.60 -0.66 -0.09 0.00 0.35 0.00 0.00 39.48 39.68 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 0.66 -0.71 -5.13 0.05 -2.01 -3.32 116.97 106.50 1wir h TYR 55 Ca 0.18 -0.30 0.10 0.00 0.05 0.00 0.00 58.73 58.76 1wir h TYR 55 Cb 0.36 -0.10 -0.12 0.00 1.01 0.00 0.00 36.73 37.88 1wir h TYR 55 CO -0.69 1.08 -0.43 0.78 -1.05 0.00 0.00 178.16 177.85 1wir h GLY 56 N 0.05 -0.35 -0.17 3.88 0.00 -0.69 0.21 103.07 105.99 1wir h GLY 56 Ca -0.04 0.57 0.21 0.00 0.00 0.00 0.00 47.33 48.06 1wir h GLY 56 CO 0.10 -0.15 0.35 -1.82 0.00 0.00 0.00 176.54 175.02 1wir h TYR 57 N -0.15 0.57 -0.50 5.60 3.20 -1.07 0.97 116.97 125.59 1wir h TYR 57 Ca 0.22 0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.16 1wir h TYR 57 Cb 0.55 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 1wir h TYR 57 CO -0.77 -0.05 0.28 0.82 -1.64 0.00 0.00 178.16 176.80 1wir h ILE 58 N 0.38 1.01 -0.70 1.81 2.04 -0.72 -2.31 117.51 119.02 1wir h ILE 58 Ca 0.53 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 66.19 1wir h ILE 58 Cb 0.98 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1wir h ILE 58 CO -0.52 0.10 0.40 0.11 0.00 0.00 0.00 178.15 178.24 1wir h LYS 59 N 0.55 0.96 -0.86 2.37 1.57 -0.23 -2.03 116.57 118.89 1wir h LYS 59 Ca 0.21 -0.10 0.08 0.00 -1.87 0.00 0.00 60.65 58.97 1wir h LYS 59 Cb 0.07 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.12 1wir h LYS 59 CO -0.12 0.70 0.52 1.25 -0.57 0.00 0.00 179.45 181.23 1wir h LEU 60 N 0.95 0.79 0.46 2.94 7.12 -0.76 0.34 115.31 127.15 1wir h LEU 60 Ca 0.25 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.26 1wir h LEU 60 Cb 0.00 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.00 1wir h LEU 60 CO -0.04 0.48 -0.22 0.40 -0.13 0.00 0.00 178.44 178.93 1wir h ILE 61 N 0.91 0.00 -0.95 4.05 1.08 -1.00 -3.11 117.51 118.49 1wir h ILE 61 Ca 0.39 -0.20 0.17 0.00 -0.39 0.00 0.00 64.86 64.82 1wir h ILE 61 Cb 0.25 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 33.92 1wir h ILE 61 CO -0.20 0.00 0.60 0.78 -0.69 0.00 0.00 178.15 178.64 1wir h ASN 62 N -0.82 0.68 -0.59 1.72 2.35 -1.30 -1.27 115.58 116.35 1wir h ASN 62 Ca -0.06 0.06 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 1wir h ASN 62 Cb 0.47 -0.07 -0.10 0.00 0.05 0.00 0.00 38.32 38.67 1wir h ASN 62 CO 0.10 0.30 -0.04 0.15 -1.65 0.00 0.00 177.43 176.29 1wir h PHE 63 N 0.69 -0.12 -0.02 1.19 3.57 -0.32 0.20 116.94 122.14 1wir h PHE 63 Ca 0.50 0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.95 1wir h PHE 63 Cb 0.85 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 1wir h PHE 63 CO -0.00 -0.18 -0.47 0.82 -2.23 0.00 0.00 178.31 176.24 1wir h ILE 64 N 0.08 1.34 -0.23 1.41 2.04 -1.18 0.26 117.51 121.24 1wir h ILE 64 Ca 0.30 -1.63 -0.12 0.00 1.00 0.00 0.00 64.86 64.41 1wir h ILE 64 Cb 0.48 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1wir h ILE 64 CO -0.53 0.47 -0.36 0.03 0.00 0.00 0.00 178.15 177.75 1wir h ARG 65 N 0.04 0.51 0.00 2.37 2.47 -0.35 0.19 114.38 119.61 1wir h ARG 65 Ca -0.00 -0.24 -0.06 0.00 -1.26 0.00 0.00 59.98 58.42 1wir h ARG 65 Cb 0.85 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.15 1wir h ARG 65 CO 0.06 0.80 -0.63 1.25 0.56 0.00 0.00 179.97 182.02 1wir h LEU 66 N 0.43 0.00 0.27 3.04 6.46 -0.57 -3.41 115.31 121.53 1wir h LEU 66 Ca 0.04 -0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.61 1wir h LEU 66 Cb 0.83 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.77 1wir h LEU 66 CO 0.07 0.93 -0.13 0.11 -0.62 0.00 0.00 178.44 178.80 1wir h LYS 67 N -1.00 -0.35 -3.73 1.25 1.79 -0.60 -3.48 116.57 110.45 1wir h LYS 67 Ca -0.09 0.02 -0.17 0.00 -2.18 0.00 0.00 60.65 58.23 1wir h LYS 67 Cb 0.69 0.08 0.08 0.00 -1.58 0.00 0.00 32.23 31.50 1wir h LYS 67 CO -0.06 -0.03 -0.37 0.09 -1.08 0.00 0.00 179.45 178.00 1wir n ASN 68 N -5.11 -2.51 -3.01 0.86 4.13 0.66 -5.03 115.26 105.26 1wir n ASN 68 Ca -0.09 -0.30 0.00 0.00 1.68 0.00 0.00 54.58 55.87 1wir n ASN 68 Cb 0.25 -2.80 0.00 0.00 -1.54 0.00 0.00 39.78 35.69 1wir n ASN 68 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1wir n PRO 69 N -2.60 -0.01 -4.36 3.52 -0.04 -1.26 -5.07 135.00 125.18 1wir n PRO 69 Ca -0.11 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.08 1wir n PRO 69 Cb 0.57 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.91 1wir n PRO 69 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1wir s THR 70 N -0.50 2.09 0.22 0.52 -1.32 -1.26 -4.91 115.64 110.49 1wir s THR 70 Ca 0.00 -1.73 -0.19 0.00 -1.21 0.00 0.00 61.69 58.56 1wir s THR 70 Cb 0.00 -1.88 0.20 0.00 -1.51 0.00 0.00 72.50 69.31 1wir s THR 70 CO 0.00 0.01 1.55 0.58 -2.21 0.00 0.00 174.62 174.55 1wir h VAL 71 N 3.84 0.01 -0.89 5.08 2.07 -1.98 0.38 116.25 124.75 1wir h VAL 71 Ca -0.49 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.23 1wir h VAL 71 Cb 1.18 0.01 -0.17 0.00 -1.52 0.00 0.00 31.29 30.79 1wir h VAL 71 CO 0.41 0.00 -0.12 -0.33 0.02 0.00 0.00 177.57 177.55 1wir h GLU 72 N -0.01 0.02 -0.19 1.57 4.39 -1.96 0.20 114.58 118.61 1wir h GLU 72 Ca 0.32 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 1wir h GLU 72 Cb 0.58 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1wir h GLU 72 CO -0.98 0.01 0.07 -0.92 -1.16 0.00 0.00 179.01 176.04 1wir h TYR 73 N 0.02 0.31 -1.22 4.33 5.03 -0.60 -2.41 116.97 122.43 1wir h TYR 73 Ca 0.47 -0.03 0.38 0.00 2.58 0.00 0.00 58.73 62.12 1wir h TYR 73 Cb 0.80 -0.09 -0.12 0.00 1.55 0.00 0.00 36.73 38.88 1wir h TYR 73 CO -0.60 0.37 0.78 0.52 -1.32 0.00 0.00 178.16 177.92 1wir h MET 74 N 0.15 0.18 0.17 1.82 2.86 0.29 0.65 114.93 121.05 1wir h MET 74 Ca 0.06 -0.01 -0.30 0.00 -2.06 0.00 0.00 59.70 57.39 1wir h MET 74 Cb 0.20 -0.04 0.02 0.00 0.06 0.00 0.00 31.60 31.84 1wir h MET 74 CO -0.00 0.12 -1.34 -0.91 1.06 0.00 0.00 176.91 175.83 1wir h ASN 75 N 0.19 0.57 -2.46 1.22 2.35 -1.11 -3.38 115.58 112.96 1wir h ASN 75 Ca 0.74 -0.62 -0.76 0.00 -0.55 0.00 0.00 56.30 55.11 1wir h ASN 75 Cb 2.20 -0.19 -0.21 0.00 0.05 0.00 0.00 38.32 40.18 1wir h ASN 75 CO -0.38 1.49 1.19 -1.54 -1.65 0.00 0.00 177.43 176.53 1wir n SER 76 N -3.59 5.39 -4.09 5.81 3.41 0.23 -4.96 113.62 115.81 1wir n SER 76 Ca -0.12 -3.06 -0.14 0.00 -0.26 0.00 0.00 58.87 55.30 1wir n SER 76 Cb 1.05 -1.48 -0.11 0.00 -0.26 0.00 0.00 64.21 63.41 1wir n SER 76 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wir s ILE 77 N 0.23 0.66 0.24 -1.33 1.01 -1.23 -4.83 121.20 115.95 1wir s ILE 77 Ca 0.38 -1.16 -0.05 0.00 0.00 0.00 0.00 60.65 59.81 1wir s ILE 77 Cb -0.02 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.68 1wir s ILE 77 CO -0.01 -0.37 0.30 -0.31 0.00 0.00 0.00 174.94 174.55 1wir s TYR 78 N -1.46 0.86 0.11 3.97 1.51 -1.26 -5.10 117.35 115.98 1wir s TYR 78 Ca -0.07 -1.12 -0.20 0.00 -1.01 0.00 0.00 57.07 54.67 1wir s TYR 78 Cb -0.09 -0.23 -0.07 0.00 -0.11 0.00 0.00 41.96 41.46 1wir s TYR 78 CO 0.01 -0.83 0.61 0.54 -1.11 0.00 0.00 175.55 174.76 1wir s ASN 79 N -3.12 7.09 0.30 2.29 4.22 -1.26 -2.67 114.94 121.79 1wir s ASN 79 Ca 0.32 1.31 -0.29 0.00 -2.14 0.00 0.00 52.86 52.06 1wir s ASN 79 Cb 0.03 -2.38 -0.10 0.00 1.28 0.00 0.00 41.25 40.09 1wir s ASN 79 CO 0.12 0.23 1.24 -2.16 -2.04 0.00 0.00 177.10 174.48 1wir s PRO 80 N -1.29 4.46 0.64 3.55 0.04 -1.26 -5.13 135.00 136.02 1wir s PRO 80 Ca 0.32 2.06 -0.17 0.00 0.04 0.00 0.00 61.00 63.25 1wir s PRO 80 Cb -0.19 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 1wir s PRO 80 CO 0.20 -0.06 1.18 0.14 0.04 0.00 0.00 177.00 178.51 1wir s VAL 81 N -1.01 2.68 -2.00 -0.36 -7.23 -1.09 -4.88 120.40 106.51 1wir s VAL 81 Ca 0.48 0.37 0.15 0.00 -1.81 0.00 0.00 61.98 61.17 1wir s VAL 81 Cb -0.37 -3.02 0.42 0.00 0.56 0.00 0.00 36.38 33.97 1wir s VAL 81 CO 0.47 -0.14 1.30 -0.81 -0.31 0.00 0.00 175.10 175.61 1wir n PRO 82 N -2.07 0.49 -0.10 4.82 -0.04 -1.26 -1.94 135.00 134.90 1wir n PRO 82 Ca 0.13 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.65 1wir n PRO 82 Cb 0.50 -1.48 0.09 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.98 0.00 -0.64 0.54 2.14 -1.26 -4.79 117.44 112.46 1wir n TRP 83 Ca 0.11 -0.75 -0.05 0.00 2.07 0.00 0.00 57.50 58.88 1wir n TRP 83 Cb 0.05 -0.11 0.01 0.00 -0.81 0.00 0.00 31.31 30.45 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 -1.03 1.27 -4.73 -2.67 0.00 -0.82 -4.74 120.64 107.93 1wir n GLU 84 Ca 0.10 -0.50 -0.26 0.00 0.00 0.00 0.00 57.16 56.50 1wir n GLU 84 Cb 0.56 -1.21 -0.14 0.00 0.00 0.00 0.00 31.44 30.64 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 -0.52 1.48 0.09 5.31 -0.14 -1.26 -5.02 119.74 119.68 1wir s LYS 85 Ca 0.11 -0.93 -0.19 0.00 -1.36 0.00 0.00 55.97 53.60 1wir s LYS 85 Cb 0.08 -1.58 -0.08 0.00 -1.68 0.00 0.00 37.83 34.57 1wir s LYS 85 CO -0.00 0.41 1.58 -0.44 -0.76 0.00 0.00 175.35 176.14 1wir h ASP 86 N 4.97 0.35 -1.00 2.83 3.32 -2.03 -2.92 116.42 121.95 1wir h ASP 86 Ca -0.42 -0.23 0.41 0.00 0.02 0.00 0.00 57.03 56.81 1wir h ASP 86 Cb 1.15 -0.09 -0.18 0.00 0.22 0.00 0.00 39.33 40.43 1wir h ASP 86 CO 0.44 0.49 0.54 1.05 -1.72 0.00 0.00 179.24 180.04 1wir h GLU 87 N 0.20 0.02 -0.74 3.56 4.11 -1.97 1.14 114.58 120.91 1wir h GLU 87 Ca 0.07 -0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.52 1wir h GLU 87 Cb 0.27 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1wir h GLU 87 CO 0.00 0.02 0.48 1.88 0.07 0.00 0.00 179.01 181.46 1wir h TYR 88 N 0.02 0.91 -1.14 2.06 0.05 -1.87 -2.41 116.97 114.59 1wir h TYR 88 Ca 0.84 0.02 0.43 0.00 0.05 0.00 0.00 58.73 60.08 1wir h TYR 88 Cb 2.20 -0.30 -0.16 0.00 1.01 0.00 0.00 36.73 39.48 1wir h TYR 88 CO -0.02 0.56 0.67 1.28 -1.05 0.00 0.00 178.16 179.61 1wir n LEU 89 N -4.59 0.28 -4.77 3.88 4.77 0.39 -4.37 117.00 112.59 1wir n LEU 89 Ca 0.07 1.50 -0.41 0.00 -0.03 0.00 0.00 56.01 57.14 1wir n LEU 89 Cb 0.04 -0.73 -0.02 0.00 -2.33 0.00 0.00 43.42 40.38 1wir n LEU 89 CO 0.35 -1.66 1.05 -0.54 -1.33 0.00 0.00 177.39 175.26 1wir s LYS 90 N -5.36 4.27 -0.54 3.23 1.02 -0.91 -4.84 119.74 116.62 1wir s LYS 90 Ca -0.08 2.33 -0.27 0.00 0.02 0.00 0.00 55.97 57.97 1wir s LYS 90 Cb 0.32 -3.05 -0.02 0.00 -0.52 0.00 0.00 37.83 34.56 1wir s LYS 90 CO 0.78 -0.33 1.82 -1.25 -0.92 0.00 0.00 175.35 175.45 1wir s PRO 91 N -1.53 2.84 0.41 -1.68 0.04 -1.26 -4.85 135.00 128.97 1wir s PRO 91 Ca 0.52 0.81 0.18 0.00 0.04 0.00 0.00 61.00 62.55 1wir s PRO 91 Cb -0.42 -4.32 1.08 0.00 0.04 0.00 0.00 34.50 30.88 1wir s PRO 91 CO 0.53 -2.47 1.83 0.28 0.04 0.00 0.00 177.00 177.22 1wir h VAL 92 N 6.84 0.64 -4.85 -0.36 2.07 -1.91 -3.42 116.25 115.27 1wir h VAL 92 Ca -0.28 -0.14 -0.27 0.00 0.82 0.00 0.00 66.70 66.83 1wir h VAL 92 Cb 1.16 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1wir h VAL 92 CO 1.17 0.08 -0.13 0.18 0.02 0.00 0.00 177.57 178.89 1wir n LEU 93 N -4.54 0.00 -4.76 2.57 4.32 -1.26 -5.10 117.00 108.23 1wir n LEU 93 Ca 0.21 -1.33 -0.33 0.00 -0.02 0.00 0.00 56.01 54.54 1wir n LEU 93 Cb 0.74 -0.01 -0.08 0.00 -1.62 0.00 0.00 43.42 42.45 1wir n LEU 93 CO 0.29 -0.40 -0.26 -0.70 -1.22 0.00 0.00 177.39 175.09 1wir s GLU 94 N -3.04 3.03 -1.46 3.23 2.56 -1.26 -4.56 118.70 117.20 1wir s GLU 94 Ca 0.14 -0.47 -0.03 0.00 0.00 0.00 0.00 54.97 54.61 1wir s GLU 94 Cb -0.01 -2.84 0.00 0.00 2.00 0.00 0.00 34.13 33.28 1wir s GLU 94 CO 0.09 0.66 0.24 -3.47 -0.56 0.00 0.00 175.26 172.22 1wir n ASP 95 N 1.40 -0.10 -4.63 -1.70 -0.08 -1.26 -4.81 116.55 105.38 1wir n ASP 95 Ca -0.14 -1.17 -0.43 0.00 -1.51 0.00 0.00 54.79 51.54 1wir n ASP 95 Cb 0.53 -2.22 -0.03 0.00 2.34 0.00 0.00 41.12 41.74 1wir n ASP 95 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wir s ASP 96 N -4.29 6.30 0.04 1.67 -1.08 -1.26 -4.89 116.67 113.16 1wir s ASP 96 Ca 0.05 1.69 -0.22 0.00 -0.52 0.00 0.00 52.55 53.55 1wir s ASP 96 Cb -0.03 -2.53 -0.14 0.00 -1.46 0.00 0.00 42.92 38.76 1wir s ASP 96 CO 0.95 -1.31 1.44 -0.07 0.52 0.00 0.00 175.17 176.70 1wir h LEU 97 N 11.92 0.21 -0.75 -1.34 3.38 -1.89 -3.07 115.31 123.77 1wir h LEU 97 Ca -0.35 -0.35 0.17 0.00 0.09 0.00 0.00 57.88 57.43 1wir h LEU 97 Cb 1.16 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 41.74 1wir h LEU 97 CO 1.00 0.52 0.11 -0.07 0.09 0.00 0.00 178.44 180.09 1wir h LEU 98 N -0.10 -0.13 -1.60 1.67 3.38 -1.95 0.45 115.31 117.04 1wir h LEU 98 Ca 0.03 0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.18 1wir h LEU 98 Cb 0.42 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1wir h LEU 98 CO 0.01 -0.10 0.28 -0.07 0.09 0.00 0.00 178.44 178.65 1wir h LEU 99 N 0.19 0.47 -0.56 1.67 4.07 -1.95 -1.60 115.31 117.60 1wir h LEU 99 Ca 0.42 -0.01 -0.16 0.00 0.08 0.00 0.00 57.88 58.21 1wir h LEU 99 Cb 0.75 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.36 1wir h LEU 99 CO -0.58 0.33 -0.65 1.56 -1.08 0.00 0.00 178.44 178.02 1wir h GLN 100 N 0.55 0.29 -6.04 1.13 4.20 -0.08 -3.46 115.11 111.71 1wir h GLN 100 Ca 0.16 -0.21 -0.79 0.00 0.06 0.00 0.00 58.65 57.87 1wir h GLN 100 Cb -0.02 0.04 0.04 0.00 0.30 0.00 0.00 27.48 27.84 1wir h GLN 100 CO -0.04 0.84 0.26 0.34 -0.67 0.00 0.00 178.83 179.56 1wir n PHE 101 N -3.85 1.01 -2.22 2.96 -0.00 -0.30 -4.78 117.46 110.28 1wir n PHE 101 Ca -0.03 1.01 -0.40 0.00 -0.00 0.00 0.00 57.45 58.03 1wir n PHE 101 Cb 0.65 -2.16 -0.03 0.00 -0.00 0.00 0.00 39.48 37.94 1wir n PHE 101 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1wir s ASP 102 N 0.75 5.63 0.40 -2.13 1.11 -1.26 -4.83 116.67 116.34 1wir s ASP 102 Ca 0.93 0.14 0.16 0.00 0.18 0.00 0.00 52.55 53.96 1wir s ASP 102 Cb -1.27 -2.54 0.84 0.00 1.07 0.00 0.00 42.92 41.03 1wir s ASP 102 CO 0.61 -2.13 1.86 1.62 1.18 0.00 0.00 175.17 178.30 1wir h VAL 103 N 6.59 1.09 -0.62 -1.27 3.04 -1.93 -3.07 116.25 120.08 1wir h VAL 103 Ca -0.27 -1.17 0.13 0.00 -1.01 0.00 0.00 66.70 64.38 1wir h VAL 103 Cb 1.12 1.66 -0.10 0.00 -2.01 0.00 0.00 31.29 31.96 1wir h VAL 103 CO 1.23 0.32 0.08 -0.33 -1.01 0.00 0.00 177.57 177.85 1wir h GLU 104 N 0.00 0.19 -1.26 4.17 5.08 -1.95 0.65 114.58 121.45 1wir h GLU 104 Ca -0.00 -0.01 0.41 0.00 -1.00 0.00 0.00 59.36 58.75 1wir h GLU 104 Cb 0.63 -0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.71 1wir h GLU 104 CO 0.04 0.12 0.81 0.22 -1.00 0.00 0.00 179.01 179.20 1wir h ASP 105 N 0.19 0.28 -0.87 1.42 3.58 -1.95 1.03 116.42 120.10 1wir h ASP 105 Ca 0.33 0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.89 1wir h ASP 105 Cb 0.53 0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.66 1wir h ASP 105 CO -0.47 -0.16 0.44 -0.07 -2.88 0.00 0.00 179.24 176.10 1wir h LEU 106 N 0.13 1.12 -9.10 2.28 3.38 -1.06 -3.41 115.31 108.65 1wir h LEU 106 Ca 0.79 -0.12 -0.56 0.00 0.09 0.00 0.00 57.88 58.08 1wir h LEU 106 Cb 2.39 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 42.85 1wir h LEU 106 CO -0.42 0.92 1.22 -0.31 0.09 0.00 0.00 178.44 179.94 1wir s TYR 107 N -5.75 1.74 -0.16 1.13 2.02 0.36 -4.98 117.35 111.72 1wir s TYR 107 Ca -0.12 0.32 0.01 0.00 -0.37 0.00 0.00 57.07 56.90 1wir s TYR 107 Cb 0.17 -4.02 0.00 0.00 -0.40 0.00 0.00 41.96 37.71 1wir s TYR 107 CO 0.83 -3.75 -0.17 -1.21 -1.57 0.00 0.00 175.55 169.68 1wir s GLU 108 N 4.92 3.15 -0.39 -0.62 2.02 -1.26 -5.02 118.70 121.50 1wir s GLU 108 Ca 0.81 -0.78 -0.28 0.00 0.02 0.00 0.00 54.97 54.74 1wir s GLU 108 Cb -0.31 -2.60 -0.01 0.00 0.10 0.00 0.00 34.13 31.31 1wir s GLU 108 CO 0.33 -0.03 1.73 -1.25 0.02 0.00 0.00 175.26 176.05 1wir s PRO 109 N 0.92 3.27 -1.01 0.39 0.04 -1.26 -4.88 135.00 132.46 1wir s PRO 109 Ca -0.04 1.19 -0.07 0.00 0.04 0.00 0.00 61.00 62.12 1wir s PRO 109 Cb -0.15 -4.19 -0.10 0.00 0.04 0.00 0.00 34.50 30.10 1wir s PRO 109 CO -0.02 -1.94 2.62 0.28 0.04 0.00 0.00 177.00 177.98 1wir n VAL 110 N 7.31 3.17 -0.13 -0.36 0.31 -1.26 -4.21 118.33 123.16 1wir n VAL 110 Ca 0.21 -1.84 -0.27 0.00 -0.01 0.00 0.00 64.34 62.43 1wir n VAL 110 Cb 0.48 -2.27 -0.09 0.00 -0.91 0.00 0.00 33.84 31.04 1wir n VAL 110 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1wir n SER 111 N 3.63 1.96 -4.69 4.52 2.88 -1.26 -4.97 113.62 115.69 1wir n SER 111 Ca 0.56 0.34 -0.44 0.00 -1.33 0.00 0.00 58.87 58.00 1wir n SER 111 Cb 0.29 -0.81 -0.02 0.00 -0.75 0.00 0.00 64.21 62.92 1wir n SER 111 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1wir n THR 112 N -4.28 1.37 0.98 2.46 -1.04 -1.26 -4.83 114.28 107.68 1wir n THR 112 Ca -0.49 -0.34 0.01 0.00 -2.04 0.00 0.00 64.05 61.19 1wir n THR 112 Cb 0.84 -1.55 0.08 0.00 -1.82 0.00 0.00 70.33 67.87 1wir n THR 112 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1wir n PRO 113 N 1.46 0.49 -1.13 -2.82 -0.04 -1.26 -4.88 135.00 126.82 1wir n PRO 113 Ca 0.09 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.10 1wir n PRO 113 Cb 0.34 -1.09 -0.07 0.00 -0.04 0.00 0.00 33.50 32.64 1wir n PRO 113 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1wir n PHE 114 N -0.59 1.13 -4.00 0.54 7.35 -1.26 0.14 117.46 120.77 1wir n PHE 114 Ca 0.02 0.74 -0.28 0.00 -0.76 0.00 0.00 57.45 57.17 1wir n PHE 114 Cb 0.01 -1.51 -0.08 0.00 0.35 0.00 0.00 39.48 38.25 1wir n PHE 114 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1wir n SER 115 N 3.05 0.22 -4.60 -2.13 3.41 -1.26 -4.79 113.62 107.52 1wir n SER 115 Ca 0.23 -1.04 -0.43 0.00 -0.26 0.00 0.00 58.87 57.37 1wir n SER 115 Cb -0.04 -1.31 -0.02 0.00 -0.26 0.00 0.00 64.21 62.58 1wir n SER 115 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wir s SER 116 N -3.82 6.41 0.00 4.04 0.15 0.37 -4.68 113.70 116.17 1wir s SER 116 Ca 0.17 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.60 1wir s SER 116 Cb -0.10 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1wir s SER 116 CO 0.83 -1.38 0.00 0.61 1.20 0.00 0.00 173.24 174.50 1wir n GLY 117 N 4.99 -0.49 3.77 9.45 0.00 -1.26 -5.12 105.19 116.53 1wir n GLY 117 Ca 0.16 0.26 -0.33 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 2.73 -1.48 1.61 0.04 -1.26 -3.63 135.00 133.00 1wir s PRO 118 Ca 0.00 1.35 -0.09 0.00 0.04 0.00 0.00 61.00 62.30 1wir s PRO 118 Cb 0.00 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.66 1wir s PRO 118 CO 0.00 -1.30 0.81 0.45 0.04 0.00 0.00 177.00 176.99 1wir n SER 119 N -2.58 -3.07 0.19 6.66 2.88 -1.26 -4.85 113.62 111.58 1wir n SER 119 Ca 0.10 -0.85 0.12 0.00 -1.33 0.00 0.00 58.87 56.91 1wir n SER 119 Cb 0.52 -3.66 0.17 0.00 -0.75 0.00 0.00 64.21 60.50 1wir n SER 119 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1wir h SER 120 N -1.92 0.00 -0.02 -3.46 4.64 -2.02 -3.57 113.55 107.20 1wir h SER 120 Ca -0.60 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1wir h SER 120 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1wir h SER 120 CO 0.65 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.23