#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wro s LEU 3 N 0.00 4.37 -0.09 -4.42 1.43 -1.26 -1.68 118.68 117.03 1wro s LEU 3 Ca 0.00 2.46 -0.30 0.00 -1.03 0.00 0.00 54.13 55.26 1wro s LEU 3 Cb 0.00 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 1wro s LEU 3 CO 0.00 -0.73 1.35 -2.28 0.23 0.00 0.00 176.35 174.91 1wro s HIS 4 N 1.14 2.77 0.61 0.29 5.65 0.20 -4.81 115.29 121.15 1wro s HIS 4 Ca 0.67 0.87 0.28 0.00 0.25 0.00 0.00 55.06 57.13 1wro s HIS 4 Cb -0.40 -3.59 1.38 0.00 -1.18 0.00 0.00 32.58 28.79 1wro s HIS 4 CO 0.31 -2.15 1.79 1.57 -0.65 0.00 0.00 174.74 175.61 1wro h LYS 5 N 8.19 0.00 0.00 2.88 -0.00 -1.92 0.74 116.57 126.45 1wro h LYS 5 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.32 1wro h LYS 5 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.37 1wro h LYS 5 CO 0.93 0.00 -0.96 0.39 -0.00 0.00 0.00 179.45 179.81 1wro n GLU 6 N -3.46 0.01 -1.97 0.07 4.71 -1.26 -4.52 120.64 114.23 1wro n GLU 6 Ca 0.08 -0.00 -0.19 0.00 -0.01 0.00 0.00 57.16 57.03 1wro n GLU 6 Cb 0.74 -1.50 0.04 0.00 -1.01 0.00 0.00 31.44 29.70 1wro n GLU 6 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1wro n ARG 7 N -1.52 3.28 -2.38 3.49 1.74 0.25 -4.98 116.66 116.54 1wro n ARG 7 Ca 0.04 -4.03 -0.36 0.00 -0.77 0.00 0.00 57.85 52.73 1wro n ARG 7 Cb 0.34 -2.15 -0.03 0.00 -1.02 0.00 0.00 32.46 29.59 1wro n ARG 7 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wro s ARG 8 N -3.56 3.25 0.38 5.56 0.52 -1.20 -4.20 118.95 119.71 1wro s ARG 8 Ca 0.48 -0.98 0.19 0.00 -0.52 0.00 0.00 55.73 54.90 1wro s ARG 8 Cb 0.40 -5.28 1.16 0.00 0.52 0.00 0.00 34.95 31.74 1wro s ARG 8 CO 0.02 -2.68 1.69 0.97 0.02 0.00 0.00 175.30 175.33 1wro h ILE 9 N 6.76 0.35 0.38 1.52 2.10 -1.92 -0.69 117.51 126.01 1wro h ILE 9 Ca 0.20 -0.11 -0.02 0.00 1.08 0.00 0.00 64.86 66.01 1wro h ILE 9 Cb 0.99 0.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.73 1wro h ILE 9 CO 1.35 0.06 -0.18 1.23 -1.08 0.00 0.00 178.15 179.53 1wro h GLY 10 N 0.31 -0.54 -0.01 8.18 0.00 -1.98 -2.32 103.07 106.73 1wro h GLY 10 Ca 0.70 0.20 0.22 0.00 0.00 0.00 0.00 47.33 48.45 1wro h GLY 10 CO -0.45 -0.19 0.59 -0.09 0.00 0.00 0.00 176.54 176.40 1wro h ARG 11 N -0.73 0.65 -0.34 4.80 2.43 -1.86 -1.51 114.38 117.81 1wro h ARG 11 Ca -0.05 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.01 1wro h ARG 11 Cb 0.39 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1wro h ARG 11 CO 0.09 0.43 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.86 1wro h LEU 12 N 0.67 0.63 -1.33 3.80 3.38 -1.19 -2.04 115.31 119.23 1wro h LEU 12 Ca 0.61 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 1wro h LEU 12 Cb 1.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1wro h LEU 12 CO -0.43 0.83 0.01 0.77 0.09 0.00 0.00 178.44 179.71 1wro h SER 13 N 0.43 0.42 0.17 -0.43 4.64 -0.71 -1.46 113.55 116.62 1wro h SER 13 Ca 0.09 -0.07 -0.22 0.00 -0.47 0.00 0.00 61.79 61.12 1wro h SER 13 Cb 0.53 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1wro h SER 13 CO 0.03 0.49 -0.85 0.58 -0.87 0.00 0.00 176.83 176.20 1wro h VAL 14 N 0.45 1.35 -0.35 0.95 2.07 -1.28 -1.50 116.25 117.94 1wro h VAL 14 Ca 0.10 -2.22 -0.08 0.00 0.82 0.00 0.00 66.70 65.32 1wro h VAL 14 Cb 0.28 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1wro h VAL 14 CO 0.01 0.68 -0.09 -0.07 0.02 0.00 0.00 177.57 178.11 1wro h LEU 15 N 0.33 0.68 0.08 2.57 3.38 -1.08 0.89 115.31 122.16 1wro h LEU 15 Ca -0.06 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.55 1wro h LEU 15 Cb 1.47 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1wro h LEU 15 CO 0.16 0.89 -0.13 0.25 0.09 0.00 0.00 178.44 179.69 1wro h LEU 16 N 0.47 -0.36 -1.83 1.67 5.85 -1.29 -0.52 115.31 119.30 1wro h LEU 16 Ca 0.09 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1wro h LEU 16 Cb 0.59 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1wro h LEU 16 CO 0.04 -0.19 0.18 0.25 -0.34 0.00 0.00 178.44 178.37 1wro h LEU 17 N -0.26 0.19 -0.94 2.25 5.85 -1.04 -2.73 115.31 118.63 1wro h LEU 17 Ca 0.02 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1wro h LEU 17 Cb 0.28 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1wro h LEU 17 CO -0.07 0.13 -0.31 0.18 -0.34 0.00 0.00 178.44 178.03 1wro n LEU 18 N -4.49 1.77 -4.36 2.25 4.77 0.29 -4.84 117.00 112.38 1wro n LEU 18 Ca 0.02 -0.60 -0.40 0.00 -0.03 0.00 0.00 56.01 55.01 1wro n LEU 18 Cb 0.19 -0.04 -0.12 0.00 -2.33 0.00 0.00 43.42 41.12 1wro n LEU 18 CO 0.35 0.32 -0.19 0.20 -1.33 0.00 0.00 177.39 176.74 1wro s ASN 19 N -2.39 5.59 0.03 -1.43 0.01 -0.26 -4.96 114.94 111.54 1wro s ASN 19 Ca 0.23 -0.95 -0.00 0.00 -0.71 0.00 0.00 52.86 51.43 1wro s ASN 19 Cb 0.19 -1.98 -0.26 0.00 0.41 0.00 0.00 41.25 39.61 1wro s ASN 19 CO 0.50 -0.34 0.96 -0.33 -1.51 0.00 0.00 177.10 176.38 1wro h GLU 20 N 8.37 0.19 0.00 -0.60 5.08 -1.88 -3.40 114.58 122.34 1wro h GLU 20 Ca -0.26 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 1wro h GLU 20 Cb 1.11 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1wro h GLU 20 CO 0.64 1.06 0.00 0.00 -1.00 0.00 0.00 179.01 179.71 1wro n ALA 21 N -2.58 -0.28 -1.70 3.43 0.00 -1.26 -4.61 120.51 113.51 1wro n ALA 21 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.99 1wro n ALA 21 Cb 1.02 0.13 0.01 0.00 0.00 0.00 0.00 19.45 20.61 1wro n ALA 21 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1wro s GLU 22 N -2.56 3.40 0.21 0.00 1.03 -1.26 -4.92 118.70 114.59 1wro s GLU 22 Ca 0.00 1.09 0.00 0.00 0.03 0.00 0.00 54.97 56.09 1wro s GLU 22 Cb 0.00 -2.05 0.00 0.00 -0.80 0.00 0.00 34.13 31.28 1wro s GLU 22 CO 0.00 -0.73 0.00 0.39 -1.33 0.00 0.00 175.26 173.59 1wro n GLU 23 N -2.14 0.00 0.02 -4.83 1.02 -1.26 -4.84 120.64 108.61 1wro n GLU 23 Ca 0.08 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.33 1wro n GLU 23 Cb 0.53 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.97 1wro n GLU 23 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wro n SER 24 N -3.05 0.65 0.06 1.62 2.88 -1.26 -3.37 113.62 111.14 1wro n SER 24 Ca 0.00 -0.37 -0.15 0.00 -1.33 0.00 0.00 58.87 57.02 1wro n SER 24 Cb 0.00 0.82 -0.06 0.00 -0.75 0.00 0.00 64.21 64.23 1wro n SER 24 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1wro h THR 25 N 0.00 1.37 0.24 2.46 2.02 -1.95 -2.83 112.91 114.22 1wro h THR 25 Ca 0.00 -2.36 -0.32 0.00 0.77 0.00 0.00 66.41 64.50 1wro h THR 25 Cb 0.66 2.37 0.04 0.00 -1.74 0.00 0.00 68.15 69.48 1wro h THR 25 CO 0.00 0.71 -1.40 1.56 0.37 0.00 0.00 175.52 176.77 1wro h GLN 26 N 0.29 0.51 -0.70 6.66 4.20 -1.89 -3.20 115.11 120.98 1wro h GLN 26 Ca -0.09 -0.88 -0.01 0.00 0.06 0.00 0.00 58.65 57.73 1wro h GLN 26 Cb 1.59 0.33 -0.03 0.00 0.30 0.00 0.00 27.48 29.66 1wro h GLN 26 CO 0.17 1.42 0.38 0.28 -0.67 0.00 0.00 178.83 180.41 1wro h VAL 27 N 0.07 1.22 -0.10 -0.54 2.07 -1.64 -1.77 116.25 115.57 1wro h VAL 27 Ca -0.24 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1wro h VAL 27 Cb 2.10 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1wro h VAL 27 CO 0.26 0.24 0.03 -0.33 0.02 0.00 0.00 177.57 177.79 1wro h GLU 28 N 0.97 0.15 -0.30 1.57 5.08 -1.62 -0.18 114.58 120.25 1wro h GLU 28 Ca 0.25 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.63 1wro h GLU 28 Cb 0.04 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1wro h GLU 28 CO -0.04 0.28 0.03 0.93 -1.00 0.00 0.00 179.01 179.21 1wro h GLU 29 N -0.02 0.12 -0.90 2.33 5.08 -1.52 0.18 114.58 119.85 1wro h GLU 29 Ca 0.03 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1wro h GLU 29 Cb 0.19 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 1wro h GLU 29 CO -0.00 0.08 0.60 -0.07 -1.00 0.00 0.00 179.01 178.61 1wro h LEU 30 N 0.12 1.02 -0.93 1.33 3.38 -1.19 -1.49 115.31 117.55 1wro h LEU 30 Ca 0.14 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1wro h LEU 30 Cb 0.17 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1wro h LEU 30 CO -0.21 0.74 -0.42 -0.33 0.09 0.00 0.00 178.44 178.30 1wro h GLU 31 N 1.21 0.00 0.00 1.13 5.08 -0.34 -0.27 114.58 121.38 1wro h GLU 31 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1wro h GLU 31 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1wro h GLU 31 CO -0.08 0.42 0.00 0.00 -1.00 0.00 0.00 179.01 178.35 1wro h ARG 32 N 0.00 0.00 -0.01 2.33 3.08 0.03 -2.71 114.38 117.10 1wro h ARG 32 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1wro h ARG 32 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 1wro h ARG 32 CO 0.06 0.00 -0.08 -0.25 -1.07 0.00 0.00 179.97 178.62 1wro n ASP 33 N -2.47 1.49 0.00 7.04 9.92 -0.63 -4.92 116.55 126.97 1wro n ASP 33 Ca 0.05 -1.37 0.00 0.00 -0.53 0.00 0.00 54.79 52.94 1wro n ASP 33 Cb 0.45 0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 1wro n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wro n GLY 34 N 1.24 0.43 3.75 0.44 0.00 -1.02 -5.07 105.19 104.96 1wro n GLY 34 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1wro n GLY 34 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wro s TRP 35 N -2.00 3.80 -0.27 1.61 0.52 -0.16 -4.85 118.94 117.58 1wro s TRP 35 Ca 0.00 1.56 -0.16 0.00 0.02 0.00 0.00 56.10 57.53 1wro s TRP 35 Cb 0.00 -2.84 -0.03 0.00 -1.15 0.00 0.00 33.47 29.45 1wro s TRP 35 CO 0.00 0.34 0.41 0.15 0.02 0.00 0.00 176.95 177.87 1wro s LYS 36 N -0.37 3.99 0.12 4.98 1.02 -1.01 -3.57 119.74 124.90 1wro s LYS 36 Ca 0.39 0.08 0.08 0.00 0.02 0.00 0.00 55.97 56.53 1wro s LYS 36 Cb -0.22 -3.67 -0.04 0.00 -0.52 0.00 0.00 37.83 33.38 1wro s LYS 36 CO 0.25 -0.32 -0.12 0.08 -0.92 0.00 0.00 175.35 174.32 1wro s VAL 37 N 2.14 3.24 -0.10 3.17 1.01 -1.26 -1.98 120.40 126.62 1wro s VAL 37 Ca 0.16 -1.36 -0.04 0.00 0.00 0.00 0.00 61.98 60.74 1wro s VAL 37 Cb -0.16 -2.52 0.05 0.00 0.00 0.00 0.00 36.38 33.75 1wro s VAL 37 CO 0.10 0.08 0.21 0.00 0.00 0.00 0.00 175.10 175.50 1wro s LEU 39 N 1.71 2.39 0.07 0.00 1.43 -1.26 -1.30 118.68 121.71 1wro s LEU 39 Ca -0.04 -0.82 -0.27 0.00 -1.03 0.00 0.00 54.13 51.97 1wro s LEU 39 Cb -0.11 -1.18 0.09 0.00 0.03 0.00 0.00 46.19 45.02 1wro s LEU 39 CO -0.07 0.14 1.16 -0.83 0.23 0.00 0.00 176.35 176.98 1wro s GLY 40 N -2.42 -0.19 0.02 -3.19 0.00 -0.71 -5.01 107.32 95.83 1wro s GLY 40 Ca 0.18 0.20 0.00 0.00 0.00 0.00 0.00 44.72 45.10 1wro s GLY 40 CO 0.08 1.75 -0.03 0.54 0.00 0.00 0.00 173.10 175.44 1wro s LYS 41 N -2.46 0.33 -0.28 2.90 1.02 -1.26 -0.91 119.74 119.08 1wro s LYS 41 Ca 0.19 -0.60 -0.12 0.00 0.02 0.00 0.00 55.97 55.45 1wro s LYS 41 Cb 0.01 0.06 0.11 0.00 -0.52 0.00 0.00 37.83 37.48 1wro s LYS 41 CO 0.00 -0.04 0.65 0.54 -0.92 0.00 0.00 175.35 175.58 1wro s VAL 42 N -1.39 -0.56 -0.14 3.17 0.11 -0.78 -5.00 120.40 115.81 1wro s VAL 42 Ca -0.15 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 1wro s VAL 42 Cb -0.10 -0.97 -0.01 0.00 -1.53 0.00 0.00 36.38 33.78 1wro s VAL 42 CO -0.01 0.00 -0.14 -0.83 -3.33 0.00 0.00 175.10 170.79 1wro s GLY 43 N 2.34 1.50 -0.06 6.54 0.00 -1.26 -1.62 107.32 114.75 1wro s GLY 43 Ca -0.07 -0.97 -0.31 0.00 0.00 0.00 0.00 44.72 43.36 1wro s GLY 43 CO -0.19 -0.08 1.10 -0.45 0.00 0.00 0.00 173.10 173.48 1wro s SER 44 N 0.59 -0.19 -0.03 1.64 0.15 -0.71 -5.01 113.70 110.15 1wro s SER 44 Ca -0.08 -0.08 0.13 0.00 0.70 0.00 0.00 55.95 56.62 1wro s SER 44 Cb -0.16 0.26 0.38 0.00 -1.71 0.00 0.00 66.02 64.79 1wro s SER 44 CO 0.03 -0.44 1.31 1.15 1.20 0.00 0.00 173.24 176.49 1wro n MET 45 N -0.25 2.91 -4.10 5.44 0.00 -1.26 -1.90 117.12 117.95 1wro n MET 45 Ca -0.05 -2.23 -0.32 0.00 0.00 0.00 0.00 57.70 55.10 1wro n MET 45 Cb 0.60 -1.39 -0.16 0.00 0.00 0.00 0.00 33.22 32.27 1wro n MET 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1wro s ASP 46 N -1.12 3.12 0.26 3.17 1.01 -1.26 0.45 116.67 122.30 1wro s ASP 46 Ca 0.29 -0.66 -0.03 0.00 0.71 0.00 0.00 52.55 52.85 1wro s ASP 46 Cb 0.17 -1.43 0.33 0.00 1.01 0.00 0.00 42.92 42.99 1wro s ASP 46 CO 0.17 -0.02 1.82 0.00 0.21 0.00 0.00 175.17 177.34 1wro h ALA 47 N 7.95 1.17 0.00 5.23 0.00 -1.93 -2.51 119.26 129.18 1wro h ALA 47 Ca -0.43 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1wro h ALA 47 Cb 1.13 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1wro h ALA 47 CO 0.61 0.58 0.00 -2.39 0.00 0.00 0.00 179.25 178.05 1wro n HIS 48 N -4.28 0.80 0.02 0.00 1.44 -1.26 -0.75 115.22 111.18 1wro n HIS 48 Ca 0.05 0.37 -0.05 0.00 -2.01 0.00 0.00 57.72 56.08 1wro n HIS 48 Cb 0.21 -1.09 -0.11 0.00 0.12 0.00 0.00 29.99 29.12 1wro n HIS 48 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1wro h LYS 49 N 0.00 0.00 -0.10 -1.40 1.57 -1.87 -2.06 116.57 112.71 1wro h LYS 49 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1wro h LYS 49 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1wro h LYS 49 CO 0.00 0.52 -0.16 0.28 -0.57 0.00 0.00 179.45 179.52 1wro h VAL 50 N 0.00 1.39 -0.25 0.50 2.07 -0.88 0.68 116.25 119.76 1wro h VAL 50 Ca -0.18 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 65.93 1wro h VAL 50 Cb 1.80 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 33.65 1wro h VAL 50 CO 0.08 0.40 0.16 0.40 0.02 0.00 0.00 177.57 178.63 1wro h ILE 51 N -0.17 1.06 -0.44 4.57 2.04 -1.17 -1.39 117.51 122.01 1wro h ILE 51 Ca 0.01 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1wro h ILE 51 Cb 0.73 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1wro h ILE 51 CO 0.04 0.06 0.26 0.00 0.00 0.00 0.00 178.15 178.51 1wro h ALA 52 N 1.09 0.56 -0.24 1.87 0.00 -1.33 -1.40 119.26 119.81 1wro h ALA 52 Ca 0.09 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1wro h ALA 52 Cb -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1wro h ALA 52 CO -0.02 -0.06 0.11 0.00 0.00 0.00 0.00 179.25 179.28 1wro h ALA 53 N 1.20 0.29 -0.27 0.00 0.00 -0.56 -1.13 119.26 118.78 1wro h ALA 53 Ca 0.18 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1wro h ALA 53 Cb 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1wro h ALA 53 CO -0.08 -0.30 0.15 0.82 0.00 0.00 0.00 179.25 179.85 1wro h ILE 54 N 0.24 1.12 -0.92 0.00 2.04 -1.01 -1.31 117.51 117.66 1wro h ILE 54 Ca 0.10 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1wro h ILE 54 Cb 0.04 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1wro h ILE 54 CO -0.08 0.12 0.56 -0.08 0.00 0.00 0.00 178.15 178.67 1wro h GLU 55 N 0.33 1.24 -0.24 2.37 4.81 -1.10 -0.05 114.58 121.94 1wro h GLU 55 Ca 0.10 -0.11 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 1wro h GLU 55 Cb 0.05 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 1wro h GLU 55 CO -0.02 0.86 -0.40 1.15 -0.73 0.00 0.00 179.01 179.88 1wro h THR 56 N 1.26 1.31 -0.48 0.32 2.02 -1.02 -2.06 112.91 114.26 1wro h THR 56 Ca 0.33 -1.60 -0.13 0.00 0.77 0.00 0.00 66.41 65.78 1wro h THR 56 Cb -0.07 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1wro h THR 56 CO -0.06 0.51 -0.21 0.00 0.37 0.00 0.00 175.52 176.13 1wro h ALA 57 N 0.64 0.72 -0.49 6.16 0.00 -1.10 -2.14 119.26 123.05 1wro h ALA 57 Ca 0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1wro h ALA 57 Cb 0.99 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1wro h ALA 57 CO 0.09 0.67 0.21 0.77 0.00 0.00 0.00 179.25 180.99 1wro h SER 58 N 0.84 0.66 0.29 0.00 0.02 -0.96 -1.23 113.55 113.18 1wro h SER 58 Ca 0.11 -0.16 -0.13 0.00 -0.84 0.00 0.00 61.79 60.78 1wro h SER 58 Cb 0.78 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1wro h SER 58 CO 0.06 0.64 -0.50 0.11 -1.14 0.00 0.00 176.83 176.00 1wro h LYS 59 N 0.65 0.25 -0.13 3.45 1.57 -1.35 -0.44 116.57 120.56 1wro h LYS 59 Ca 0.16 -0.14 -0.22 0.00 -1.87 0.00 0.00 60.65 58.59 1wro h LYS 59 Cb 0.17 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.51 1wro h LYS 59 CO -0.02 0.69 -0.77 0.87 -0.57 0.00 0.00 179.45 179.66 1wro h LYS 60 N 0.20 0.75 0.00 3.15 1.57 -1.22 -3.01 116.57 118.02 1wro h LYS 60 Ca 0.01 -0.63 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 1wro h LYS 60 Cb 0.96 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1wro h LYS 60 CO 0.08 1.24 0.00 -1.13 -0.57 0.00 0.00 179.45 179.07 1wro n SER 61 N -3.97 0.00 0.00 0.86 3.41 -0.48 -4.91 113.62 108.53 1wro n SER 61 Ca -0.08 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 1wro n SER 61 Cb 0.74 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1wro n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wro n GLY 62 N 1.09 0.60 0.31 5.00 0.00 -0.95 -4.92 105.19 106.33 1wro n GLY 62 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.27 1wro n GLY 62 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wro h VAL 63 N 0.00 1.07 -3.93 1.61 2.07 -1.37 -3.43 116.25 112.28 1wro h VAL 63 Ca 0.00 -0.18 -0.23 0.00 0.82 0.00 0.00 66.70 67.12 1wro h VAL 63 Cb 0.04 0.51 -0.17 0.00 -1.52 0.00 0.00 31.29 30.14 1wro h VAL 63 CO 0.00 0.09 -0.71 0.27 0.02 0.00 0.00 177.57 177.25 1wro s ILE 64 N -5.47 0.55 0.23 4.57 -4.36 -1.21 -4.86 121.20 110.65 1wro s ILE 64 Ca -0.08 -1.56 -0.30 0.00 -0.26 0.00 0.00 60.65 58.45 1wro s ILE 64 Cb 0.18 -1.20 -0.10 0.00 1.25 0.00 0.00 42.46 42.59 1wro s ILE 64 CO 0.73 -0.69 1.49 -1.58 0.24 0.00 0.00 174.94 175.13 1wro s GLN 65 N -2.90 4.24 0.21 0.37 0.74 -1.26 -4.43 119.66 116.62 1wro s GLN 65 Ca 0.02 2.34 0.07 0.00 0.05 0.00 0.00 55.36 57.84 1wro s GLN 65 Cb -0.01 -3.12 0.12 0.00 1.10 0.00 0.00 33.01 31.11 1wro s GLN 65 CO -0.03 -0.49 1.47 0.77 -0.55 0.00 0.00 175.29 176.46 1wro h SER 66 N 5.51 0.09 -3.24 6.67 0.02 -1.97 -3.43 113.55 117.20 1wro h SER 66 Ca -0.45 -0.07 -0.57 0.00 -0.84 0.00 0.00 61.79 59.86 1wro h SER 66 Cb 1.21 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.69 1wro h SER 66 CO 0.82 0.82 -0.21 -1.61 -1.14 0.00 0.00 176.83 175.51 1wro s GLU 67 N -3.31 3.76 0.00 3.45 8.01 -1.26 -4.98 118.70 124.36 1wro s GLU 67 Ca -0.01 0.17 0.00 0.00 0.01 0.00 0.00 54.97 55.14 1wro s GLU 67 Cb 0.11 -2.85 0.00 0.00 -4.31 0.00 0.00 34.13 27.08 1wro s GLU 67 CO 0.80 0.46 0.00 0.41 0.01 0.00 0.00 175.26 176.93 1wro n GLY 68 N 0.39 -1.22 0.12 -1.39 0.00 -1.26 -4.87 105.19 96.96 1wro n GLY 68 Ca -0.04 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.13 1wro n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wro n TYR 69 N -1.18 0.49 -0.12 1.61 9.36 -1.26 -4.49 117.16 121.58 1wro n TYR 69 Ca 0.00 0.21 -0.03 0.00 3.32 0.00 0.00 57.90 61.40 1wro n TYR 69 Cb 0.00 -1.02 -0.03 0.00 -0.63 0.00 0.00 39.34 37.66 1wro n TYR 69 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1wro n ARG 70 N -4.35 -0.12 0.06 2.98 0.63 -1.26 0.16 116.66 114.76 1wro n ARG 70 Ca -0.42 0.45 -0.04 0.00 -0.92 0.00 0.00 57.85 56.91 1wro n ARG 70 Cb 0.77 -0.66 0.16 0.00 0.45 0.00 0.00 32.46 33.18 1wro n ARG 70 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1wro h GLU 71 N 0.00 0.33 0.00 -0.14 5.08 -1.90 -2.04 114.58 115.91 1wro h GLU 71 Ca 0.04 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1wro h GLU 71 Cb 0.11 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1wro h GLU 71 CO -0.26 0.73 -0.26 0.77 -1.00 0.00 0.00 179.01 178.99 1wro h SER 72 N 0.27 0.00 0.21 1.42 0.02 -0.51 -2.07 113.55 112.89 1wro h SER 72 Ca 0.02 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.71 1wro h SER 72 Cb 0.93 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.48 1wro h SER 72 CO 0.08 0.26 -1.03 -0.74 -1.14 0.00 0.00 176.83 174.26 1wro h HIS 73 N 0.00 0.80 -0.36 3.45 -0.00 -0.45 -1.26 115.15 117.34 1wro h HIS 73 Ca -0.00 -0.45 -0.09 0.00 -0.00 0.00 0.00 60.37 59.83 1wro h HIS 73 Cb 0.77 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.08 1wro h HIS 73 CO 0.00 1.29 -0.11 0.00 -0.00 0.00 0.00 177.93 179.11 1wro h ALA 74 N 0.56 0.50 -0.68 5.26 0.00 -1.17 -2.83 119.26 120.91 1wro h ALA 74 Ca -0.11 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1wro h ALA 74 Cb 1.68 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1wro h ALA 74 CO 0.19 0.37 0.19 1.25 0.00 0.00 0.00 179.25 181.26 1wro h LEU 75 N 0.51 1.01 -0.48 0.00 5.85 -1.39 -2.53 115.31 118.27 1wro h LEU 75 Ca 0.09 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.64 1wro h LEU 75 Cb 0.63 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1wro h LEU 75 CO 0.04 0.97 0.22 0.22 -0.34 0.00 0.00 178.44 179.55 1wro h TYR 76 N 1.01 0.41 -0.02 1.25 3.20 -1.13 -1.90 116.97 119.79 1wro h TYR 76 Ca 0.22 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.95 1wro h TYR 76 Cb 0.33 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1wro h TYR 76 CO 0.03 0.19 -0.70 0.45 -1.64 0.00 0.00 178.16 176.48 1wro h HIS 77 N 0.44 0.15 -0.14 -3.82 3.86 -1.43 -1.69 115.15 112.52 1wro h HIS 77 Ca 0.22 -0.07 -0.10 0.00 -1.16 0.00 0.00 60.37 59.26 1wro h HIS 77 Cb 0.16 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 1wro h HIS 77 CO -0.12 0.77 -0.37 0.00 0.86 0.00 0.00 177.93 179.08 1wro h ALA 78 N 1.21 1.13 -0.07 2.45 0.00 -1.21 -0.74 119.26 122.02 1wro h ALA 78 Ca -0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1wro h ALA 78 Cb 1.24 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1wro h ALA 78 CO 0.10 0.57 -0.04 1.15 0.00 0.00 0.00 179.25 181.02 1wro h THR 79 N 0.25 1.34 -0.56 0.00 2.02 -1.20 -0.99 112.91 113.76 1wro h THR 79 Ca 0.03 -1.09 0.09 0.00 0.77 0.00 0.00 66.41 66.21 1wro h THR 79 Cb 0.76 1.91 -0.07 0.00 -1.74 0.00 0.00 68.15 69.01 1wro h THR 79 CO 0.06 0.30 0.16 0.24 0.37 0.00 0.00 175.52 176.65 1wro h MET 80 N -0.23 0.30 0.00 6.66 2.86 -1.06 0.24 114.93 123.70 1wro h MET 80 Ca 0.02 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1wro h MET 80 Cb 0.50 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1wro h MET 80 CO 0.01 0.20 -0.23 0.93 1.06 0.00 0.00 176.91 178.88 1wro h GLU 81 N 0.31 0.00 0.17 1.72 5.08 -0.97 -2.53 114.58 118.35 1wro h GLU 81 Ca 0.28 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.34 1wro h GLU 81 Cb 0.37 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.64 1wro h GLU 81 CO -0.33 0.23 -1.35 0.00 -1.00 0.00 0.00 179.01 176.56 1wro h ALA 82 N 1.77 0.03 0.00 3.43 0.00 0.25 -3.22 119.26 121.52 1wro h ALA 82 Ca -0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 54.91 53.99 1wro h ALA 82 Cb 0.54 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1wro h ALA 82 CO 0.03 0.90 -0.07 -0.07 0.00 0.00 0.00 179.25 180.04 1wro h LEU 83 N 0.10 0.00 -0.53 0.00 3.38 -0.19 -2.49 115.31 115.58 1wro h LEU 83 Ca -0.19 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.79 1wro h LEU 83 Cb 2.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.77 1wro h LEU 83 CO 0.22 0.07 0.35 0.45 0.09 0.00 0.00 178.44 179.63 1wro h HIS 84 N 0.00 0.67 -0.06 1.13 3.86 -1.48 0.32 115.15 119.59 1wro h HIS 84 Ca -0.00 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1wro h HIS 84 Cb 0.19 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 1wro h HIS 84 CO 0.00 0.42 -0.11 0.78 0.86 0.00 0.00 177.93 179.88 1wro h GLY 85 N 0.72 0.10 0.82 2.45 0.00 -1.59 0.78 103.07 106.36 1wro h GLY 85 Ca 0.20 -0.05 -0.25 0.00 0.00 0.00 0.00 47.33 47.22 1wro h GLY 85 CO -0.04 0.05 -1.15 -2.08 0.00 0.00 0.00 176.54 173.32 1wro h VAL 86 N 0.09 1.33 0.00 4.60 2.07 -1.06 -3.37 116.25 119.91 1wro h VAL 86 Ca 0.02 -2.55 -0.12 0.00 0.82 0.00 0.00 66.70 64.87 1wro h VAL 86 Cb 0.27 3.05 -0.02 0.00 -1.52 0.00 0.00 31.29 33.07 1wro h VAL 86 CO 0.02 0.75 -0.86 0.71 0.02 0.00 0.00 177.57 178.20 1wro h THR 87 N -0.20 0.65 -6.76 2.57 1.35 -0.20 -3.47 112.91 106.86 1wro h THR 87 Ca -0.21 -2.03 -0.55 0.00 -0.55 0.00 0.00 66.41 63.06 1wro h THR 87 Cb 1.83 2.21 -0.04 0.00 -1.73 0.00 0.00 68.15 70.42 1wro h THR 87 CO 0.17 0.37 -0.97 0.54 -0.25 0.00 0.00 175.52 175.38 1wro n ARG 88 N -3.06 -1.00 0.00 4.72 1.74 0.27 -3.76 116.66 115.56 1wro n ARG 88 Ca -0.02 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 1wro n ARG 88 Cb 0.76 -3.34 0.00 0.00 -1.02 0.00 0.00 32.46 28.86 1wro n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wro n GLY 89 N -2.09 3.07 2.94 -0.13 0.00 -1.26 -5.05 105.19 102.67 1wro n GLY 89 Ca -0.18 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 1wro n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wro s GLU 90 N 0.00 1.70 -0.47 1.61 0.41 -1.25 -5.01 118.70 115.70 1wro s GLU 90 Ca 0.00 -0.64 -0.04 0.00 -0.41 0.00 0.00 54.97 53.88 1wro s GLU 90 Cb 0.00 -2.17 -0.07 0.00 -1.78 0.00 0.00 34.13 30.11 1wro s GLU 90 CO 0.00 -0.42 1.90 -0.12 -0.49 0.00 0.00 175.26 176.13 1wro n MET 91 N 4.80 1.39 -4.46 1.61 1.56 -1.26 -4.75 117.12 116.01 1wro n MET 91 Ca -0.13 -0.97 -0.20 0.00 -0.27 0.00 0.00 57.70 56.12 1wro n MET 91 Cb 0.47 -2.13 -0.14 0.00 2.15 0.00 0.00 33.22 33.57 1wro n MET 91 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1wro s LEU 92 N 0.05 2.09 0.00 -0.89 1.43 -1.26 -4.96 118.68 115.13 1wro s LEU 92 Ca 0.31 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1wro s LEU 92 Cb 0.10 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.71 1wro s LEU 92 CO -0.02 0.10 0.00 0.18 0.23 0.00 0.00 176.35 176.84 1wro n LEU 93 N 2.39 0.00 -0.35 1.79 4.77 -1.26 -4.72 117.00 119.63 1wro n LEU 93 Ca -0.16 0.00 0.25 0.00 -0.03 0.00 0.00 56.01 56.07 1wro n LEU 93 Cb 0.55 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 42.16 1wro n LEU 93 CO 0.24 0.00 1.21 1.23 -1.33 0.00 0.00 177.39 178.74 1wro h GLY 94 N 0.00 1.34 1.93 -0.72 0.00 0.11 0.33 103.07 106.05 1wro h GLY 94 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1wro h GLY 94 CO 0.00 -0.21 0.00 -1.14 0.00 0.00 0.00 176.54 175.19 1wro n SER 95 N -4.69 0.00 -0.77 0.19 3.41 -1.26 -1.23 113.62 109.27 1wro n SER 95 Ca 0.28 0.44 0.05 0.00 -0.26 0.00 0.00 58.87 59.37 1wro n SER 95 Cb 0.96 -0.47 0.18 0.00 -0.26 0.00 0.00 64.21 64.63 1wro n SER 95 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wro n LEU 96 N -1.47 2.58 -3.80 1.04 4.77 0.11 -4.97 117.00 115.26 1wro n LEU 96 Ca 0.03 -3.71 -0.29 0.00 -0.03 0.00 0.00 56.01 52.01 1wro n LEU 96 Cb 0.12 -0.46 0.02 0.00 -2.33 0.00 0.00 43.42 40.78 1wro n LEU 96 CO 0.10 1.32 0.08 -0.11 -1.33 0.00 0.00 177.39 177.45 1wro n LEU 97 N -0.91 -2.36 -4.10 2.23 7.94 -0.37 -4.99 117.00 114.44 1wro n LEU 97 Ca 0.18 -0.70 -0.13 0.00 -1.11 0.00 0.00 56.01 54.25 1wro n LEU 97 Cb 0.75 -2.49 -0.11 0.00 0.53 0.00 0.00 43.42 42.10 1wro n LEU 97 CO -0.02 0.40 -0.40 0.00 -1.11 0.00 0.00 177.39 176.26 1wro s ARG 98 N -6.50 0.63 0.09 1.96 1.70 -0.85 -4.32 118.95 111.66 1wro s ARG 98 Ca 0.61 -0.93 0.03 0.00 -0.47 0.00 0.00 55.73 54.97 1wro s ARG 98 Cb -0.31 -0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 33.74 1wro s ARG 98 CO 0.76 0.04 -0.09 -0.08 -1.08 0.00 0.00 175.30 174.84 1wro s THR 99 N -2.01 0.83 0.22 4.99 -1.32 0.16 -1.53 115.64 116.98 1wro s THR 99 Ca -0.03 -1.62 0.10 0.00 -1.21 0.00 0.00 61.69 58.92 1wro s THR 99 Cb -0.06 -1.32 -0.05 0.00 -1.51 0.00 0.00 72.50 69.57 1wro s THR 99 CO -0.01 -0.60 -0.18 0.68 -2.21 0.00 0.00 174.62 172.30 1wro s VAL 100 N -2.54 2.06 -0.31 5.08 -7.23 -0.80 -1.34 120.40 115.33 1wro s VAL 100 Ca 0.04 -2.21 -0.02 0.00 -1.81 0.00 0.00 61.98 57.99 1wro s VAL 100 Cb -0.02 -2.10 0.10 0.00 0.56 0.00 0.00 36.38 34.92 1wro s VAL 100 CO -0.01 -0.43 0.12 -0.83 -0.31 0.00 0.00 175.10 173.63 1wro s GLY 101 N -3.20 0.88 0.25 2.32 0.00 -0.36 -1.73 107.32 105.48 1wro s GLY 101 Ca 0.24 -1.50 0.10 0.00 0.00 0.00 0.00 44.72 43.55 1wro s GLY 101 CO 0.10 1.79 -0.05 1.08 0.00 0.00 0.00 173.10 176.01 1wro s LEU 102 N 1.73 3.06 -0.03 0.66 1.43 -0.64 -0.88 118.68 124.01 1wro s LEU 102 Ca 0.10 -0.68 0.07 0.00 -1.03 0.00 0.00 54.13 52.59 1wro s LEU 102 Cb -0.17 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 1wro s LEU 102 CO -0.28 0.03 -0.24 -0.60 0.23 0.00 0.00 176.35 175.49 1wro s ARG 103 N -3.44 2.10 0.04 1.70 3.52 0.18 -1.86 118.95 121.19 1wro s ARG 103 Ca 0.30 -0.87 0.02 0.00 -0.13 0.00 0.00 55.73 55.04 1wro s ARG 103 Cb -0.07 -1.96 -0.02 0.00 -1.56 0.00 0.00 34.95 31.34 1wro s ARG 103 CO 0.18 0.48 -0.07 -0.59 -0.81 0.00 0.00 175.30 174.49 1wro s PHE 104 N -0.46 0.64 0.04 5.12 -0.12 -0.08 -1.72 117.98 121.39 1wro s PHE 104 Ca 0.06 -0.48 0.04 0.00 -0.05 0.00 0.00 56.93 56.50 1wro s PHE 104 Cb -0.10 -0.39 -0.02 0.00 -0.63 0.00 0.00 43.02 41.88 1wro s PHE 104 CO 0.00 -0.09 -0.12 0.00 -0.05 0.00 0.00 175.22 174.97 1wro s ALA 105 N -1.33 0.97 -0.06 1.99 0.00 -0.81 -1.73 121.76 120.79 1wro s ALA 105 Ca -0.10 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1wro s ALA 105 Cb -0.10 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1wro s ALA 105 CO 0.00 0.16 -0.03 0.08 0.00 0.00 0.00 175.76 175.97 1wro s VAL 106 N -0.88 0.52 -0.03 0.00 1.01 -0.42 -1.63 120.40 118.98 1wro s VAL 106 Ca -0.01 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 61.96 1wro s VAL 106 Cb -0.08 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 1wro s VAL 106 CO 0.01 0.24 -0.19 -0.76 0.00 0.00 0.00 175.10 174.40 1wro s LEU 107 N 1.25 2.00 -0.03 3.92 1.02 -0.79 -1.61 118.68 124.44 1wro s LEU 107 Ca -0.06 -0.37 0.04 0.00 0.02 0.00 0.00 54.13 53.76 1wro s LEU 107 Cb -0.14 -1.02 -0.00 0.00 0.02 0.00 0.00 46.19 45.05 1wro s LEU 107 CO -0.02 0.22 -0.13 -0.60 0.02 0.00 0.00 176.35 175.83 1wro s ARG 108 N -0.29 1.36 0.00 1.70 3.52 -0.84 -0.97 118.95 123.42 1wro s ARG 108 Ca 0.03 -0.47 0.00 0.00 -0.13 0.00 0.00 55.73 55.17 1wro s ARG 108 Cb -0.09 -1.22 0.00 0.00 -1.56 0.00 0.00 34.95 32.08 1wro s ARG 108 CO 0.00 0.19 0.00 0.41 -0.81 0.00 0.00 175.30 175.10 1wro n GLY 109 N 3.16 1.13 3.55 8.12 0.00 -0.19 -2.39 105.19 118.57 1wro n GLY 109 Ca -0.18 -1.34 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1wro n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wro s ASN 110 N 0.00 6.44 0.00 1.61 3.84 -1.25 -1.09 114.94 124.49 1wro s ASN 110 Ca 0.00 -0.01 0.23 0.00 0.21 0.00 0.00 52.86 53.29 1wro s ASN 110 Cb 0.00 -2.39 0.90 0.00 -0.55 0.00 0.00 41.25 39.21 1wro s ASN 110 CO 0.00 -0.88 1.64 -0.81 -2.79 0.00 0.00 177.10 174.26 1wro n PRO 111 N 6.67 1.63 -3.83 0.43 -0.04 -1.26 -4.92 135.00 133.69 1wro n PRO 111 Ca 0.03 -0.94 -0.21 0.00 -0.04 0.00 0.00 63.50 62.34 1wro n PRO 111 Cb 0.48 -1.42 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 1wro n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1wro s TYR 112 N -1.87 3.16 0.10 0.54 1.51 -1.26 -0.62 117.35 118.90 1wro s TYR 112 Ca 0.34 -0.16 -0.15 0.00 -1.01 0.00 0.00 57.07 56.09 1wro s TYR 112 Cb 0.18 -1.70 -0.07 0.00 -0.11 0.00 0.00 41.96 40.26 1wro s TYR 112 CO 0.28 0.27 1.45 0.93 -1.11 0.00 0.00 175.55 177.38 1wro h GLU 113 N 1.18 0.66 -6.41 -0.62 5.08 -1.63 -3.43 114.58 109.41 1wro h GLU 113 Ca -0.48 -0.31 -0.54 0.00 -1.00 0.00 0.00 59.36 57.03 1wro h GLU 113 Cb 1.24 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1wro h GLU 113 CO 0.58 0.90 0.60 0.45 -1.00 0.00 0.00 179.01 180.55 1wro s SER 114 N -6.40 7.09 0.04 1.42 0.15 -1.26 -4.91 113.70 109.83 1wro s SER 114 Ca -0.13 1.90 0.21 0.00 0.70 0.00 0.00 55.95 58.64 1wro s SER 114 Cb 0.09 -2.57 0.88 0.00 -1.71 0.00 0.00 66.02 62.71 1wro s SER 114 CO 0.81 -0.50 1.67 -1.84 1.20 0.00 0.00 173.24 174.58 1wro n GLU 115 N 4.46 0.04 0.25 5.44 -0.00 -1.26 -2.63 120.64 126.93 1wro n GLU 115 Ca 0.10 0.18 0.14 0.00 -0.00 0.00 0.00 57.16 57.58 1wro n GLU 115 Cb 0.47 -1.56 0.46 0.00 -0.00 0.00 0.00 31.44 30.80 1wro n GLU 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wro h ALA 116 N 2.65 0.99 -0.33 -1.84 0.00 -1.96 -3.07 119.26 115.69 1wro h ALA 116 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1wro h ALA 116 Cb 0.38 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1wro h ALA 116 CO 0.00 0.05 0.14 0.93 0.00 0.00 0.00 179.25 180.37 1wro h GLU 117 N 0.00 0.46 0.00 0.00 4.39 -1.90 -3.48 114.58 114.05 1wro h GLU 117 Ca -0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1wro h GLU 117 Cb 0.74 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1wro h GLU 117 CO 0.01 0.38 0.00 0.41 -1.16 0.00 0.00 179.01 178.64 1wro n GLY 118 N -1.27 -1.35 3.78 -3.84 0.00 -1.16 -4.90 105.19 96.44 1wro n GLY 118 Ca 0.02 -1.28 -0.38 0.00 0.00 0.00 0.00 46.02 44.38 1wro n GLY 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wro s ASP 119 N -4.00 7.39 0.15 1.61 1.11 -1.26 -3.89 116.67 117.78 1wro s ASP 119 Ca 0.00 1.83 0.05 0.00 0.18 0.00 0.00 52.55 54.61 1wro s ASP 119 Cb 0.00 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 1wro s ASP 119 CO 0.00 -0.01 -0.11 0.26 1.18 0.00 0.00 175.17 176.49 1wro s TRP 120 N -1.51 1.33 0.05 4.23 0.52 -0.25 -1.51 118.94 121.81 1wro s TRP 120 Ca 0.48 -0.72 0.05 0.00 0.02 0.00 0.00 56.10 55.92 1wro s TRP 120 Cb -0.20 -0.67 -0.02 0.00 -1.15 0.00 0.00 33.47 31.43 1wro s TRP 120 CO 0.25 0.13 -0.14 -1.50 0.02 0.00 0.00 176.95 175.70 1wro s ILE 121 N -3.23 1.14 -0.05 2.03 2.07 0.69 -1.03 121.20 122.82 1wro s ILE 121 Ca 0.17 -1.13 0.01 0.00 -1.41 0.00 0.00 60.65 58.30 1wro s ILE 121 Cb 0.02 -1.06 0.02 0.00 0.13 0.00 0.00 42.46 41.57 1wro s ILE 121 CO 0.02 -0.07 -0.07 0.00 -1.91 0.00 0.00 174.94 172.91 1wro s ALA 122 N -1.01 0.85 -0.22 1.50 0.00 -0.14 -1.50 121.76 121.25 1wro s ALA 122 Ca 0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 1wro s ALA 122 Cb -0.09 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 1wro s ALA 122 CO 0.02 -0.00 -0.03 0.08 0.00 0.00 0.00 175.76 175.82 1wro s VAL 123 N 0.90 3.47 -0.03 0.00 1.01 0.11 -1.88 120.40 123.97 1wro s VAL 123 Ca -0.11 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.48 1wro s VAL 123 Cb -0.15 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1wro s VAL 123 CO 0.01 0.42 -0.25 -0.44 0.00 0.00 0.00 175.10 174.83 1wro s SER 124 N 1.44 3.01 -0.01 3.32 0.01 -0.64 -0.37 113.70 120.46 1wro s SER 124 Ca 0.05 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 56.86 1wro s SER 124 Cb -0.14 -0.52 -0.01 0.00 0.21 0.00 0.00 66.02 65.56 1wro s SER 124 CO -0.02 0.29 -0.10 -0.76 0.41 0.00 0.00 173.24 173.05 1wro s LEU 125 N -0.43 1.96 -0.09 2.44 1.43 0.11 -1.93 118.68 122.17 1wro s LEU 125 Ca 0.05 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 52.84 1wro s LEU 125 Cb -0.11 -0.56 0.03 0.00 0.03 0.00 0.00 46.19 45.58 1wro s LEU 125 CO 0.01 0.12 0.31 -0.47 0.23 0.00 0.00 176.35 176.54 1wro s TYR 126 N -0.14 -0.30 -0.06 0.29 5.04 -0.70 -1.57 117.35 119.92 1wro s TYR 126 Ca 0.02 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 55.33 1wro s TYR 126 Cb -0.05 0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.36 1wro s TYR 126 CO -0.00 -0.22 0.00 0.41 -1.34 0.00 0.00 175.55 174.39 1wro n GLY 127 N 2.47 -0.58 3.36 8.97 0.00 -1.02 0.49 105.19 118.88 1wro n GLY 127 Ca -0.15 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.32 1wro n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wro s THR 128 N -4.00 1.82 -0.05 2.61 -4.23 -0.06 -1.87 115.64 109.86 1wro s THR 128 Ca 0.00 -2.22 -0.02 0.00 -1.18 0.00 0.00 61.69 58.27 1wro s THR 128 Cb 0.00 -2.06 0.04 0.00 1.34 0.00 0.00 72.50 71.81 1wro s THR 128 CO 0.00 -0.57 0.10 -0.51 -0.54 0.00 0.00 174.62 173.10 1wro s ILE 129 N -2.89 -0.07 0.00 2.99 2.07 0.04 -1.22 121.20 122.12 1wro s ILE 129 Ca 0.23 0.22 0.00 0.00 -1.41 0.00 0.00 60.65 59.69 1wro s ILE 129 Cb -0.01 -0.18 0.00 0.00 0.13 0.00 0.00 42.46 42.40 1wro s ILE 129 CO 0.08 0.09 0.00 0.61 -1.91 0.00 0.00 174.94 173.81 1wro n GLY 130 N 4.31 1.60 3.82 1.50 0.00 -0.45 -1.93 105.19 114.04 1wro n GLY 130 Ca -0.25 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 1wro n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wro s ALA 131 N -1.00 2.60 -1.44 4.61 0.00 -0.44 -0.67 121.76 125.42 1wro s ALA 131 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1wro s ALA 131 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1wro s ALA 131 CO 0.00 -1.32 0.08 -2.30 0.00 0.00 0.00 175.76 172.21 1wro n PRO 132 N -3.19 0.00 -4.98 0.00 -0.02 -1.26 -4.54 135.00 121.01 1wro n PRO 132 Ca 0.07 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.27 1wro n PRO 132 Cb 0.54 -1.11 -0.15 0.00 -0.02 0.00 0.00 33.50 32.76 1wro n PRO 132 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wro s ILE 133 N -1.50 1.78 0.49 4.25 1.01 -1.26 -5.11 121.20 120.86 1wro s ILE 133 Ca 0.00 -1.06 -0.22 0.00 0.00 0.00 0.00 60.65 59.38 1wro s ILE 133 Cb 0.00 -1.50 -0.06 0.00 0.01 0.00 0.00 42.46 40.90 1wro s ILE 133 CO 0.00 0.42 1.19 -1.59 0.00 0.00 0.00 174.94 174.96 1wro s LYS 134 N -0.75 3.55 0.00 2.79 0.00 -1.26 -3.15 119.74 120.93 1wro s LYS 134 Ca 0.09 1.82 0.00 0.00 0.00 0.00 0.00 55.97 57.88 1wro s LYS 134 Cb -0.09 -2.29 0.00 0.00 0.00 0.00 0.00 37.83 35.45 1wro s LYS 134 CO 0.00 -0.74 0.00 0.41 0.00 0.00 0.00 175.35 175.02 1wro n GLY 135 N 0.45 2.69 3.03 0.59 0.00 -1.26 -4.92 105.19 105.77 1wro n GLY 135 Ca 0.09 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1wro n GLY 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wro n LEU 136 N 0.00 6.29 -3.82 0.99 4.77 -1.19 -4.90 117.00 119.15 1wro n LEU 136 Ca 0.00 -4.81 -0.05 0.00 -0.03 0.00 0.00 56.01 51.12 1wro n LEU 136 Cb 0.00 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 39.65 1wro n LEU 136 CO 0.00 1.37 0.66 -1.83 -1.33 0.00 0.00 177.39 176.26 1wro s GLU 137 N -0.46 1.59 0.27 3.23 -1.05 -1.26 -1.32 118.70 119.69 1wro s GLU 137 Ca 0.37 -0.96 -0.01 0.00 -0.15 0.00 0.00 54.97 54.22 1wro s GLU 137 Cb 0.05 0.48 0.01 0.00 -0.44 0.00 0.00 34.13 34.23 1wro s GLU 137 CO 0.03 -0.74 0.37 -2.39 0.95 0.00 0.00 175.26 173.48 1wro n HIS 138 N -0.55 -1.20 -1.71 4.83 1.44 -0.81 -4.95 115.22 112.27 1wro n HIS 138 Ca -0.05 -1.81 -0.32 0.00 -2.01 0.00 0.00 57.72 53.54 1wro n HIS 138 Cb 0.60 0.42 0.04 0.00 0.12 0.00 0.00 29.99 31.17 1wro n HIS 138 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1wro s GLU 139 N -2.62 3.03 -0.16 -1.40 2.02 -1.26 -0.78 118.70 117.54 1wro s GLU 139 Ca 0.22 1.04 -0.17 0.00 0.02 0.00 0.00 54.97 56.08 1wro s GLU 139 Cb -0.01 -2.00 0.05 0.00 0.10 0.00 0.00 34.13 32.27 1wro s GLU 139 CO 0.16 -1.03 0.48 -0.08 0.02 0.00 0.00 175.26 174.81 1wro s THR 140 N -2.86 0.00 0.09 3.63 -1.32 -0.78 -4.69 115.64 109.71 1wro s THR 140 Ca 0.60 -0.04 0.04 0.00 -1.21 0.00 0.00 61.69 61.08 1wro s THR 140 Cb -0.15 -0.69 -0.03 0.00 -1.51 0.00 0.00 72.50 70.12 1wro s THR 140 CO 0.49 -0.02 -0.11 -0.36 -2.21 0.00 0.00 174.62 172.41 1wro s PHE 141 N 0.05 1.08 -0.26 9.09 0.40 -1.26 -2.44 117.98 124.64 1wro s PHE 141 Ca -0.02 -0.60 -0.23 0.00 -0.60 0.00 0.00 56.93 55.48 1wro s PHE 141 Cb -0.03 -0.59 0.07 0.00 0.51 0.00 0.00 43.02 42.97 1wro s PHE 141 CO 0.01 0.01 0.68 0.20 0.70 0.00 0.00 175.22 176.83 1wro s GLY 142 N -2.24 -0.52 -0.06 4.36 0.00 -0.61 -2.46 107.32 105.79 1wro s GLY 142 Ca 0.03 1.96 -0.02 0.00 0.00 0.00 0.00 44.72 46.69 1wro s GLY 142 CO 0.01 1.71 0.13 0.14 0.00 0.00 0.00 173.10 175.09 1wro s VAL 143 N 0.44 -0.07 -0.02 1.40 1.01 -1.25 0.07 120.40 121.98 1wro s VAL 143 Ca -0.01 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.23 1wro s VAL 143 Cb -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 1wro s VAL 143 CO -0.00 0.08 -0.17 -0.83 0.00 0.00 0.00 175.10 174.18 1wro s GLY 144 N 1.25 0.87 -0.06 4.51 0.00 0.50 -4.18 107.32 110.22 1wro s GLY 144 Ca -0.08 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 43.93 1wro s GLY 144 CO -0.06 -0.54 -0.12 -0.42 0.00 0.00 0.00 173.10 171.97 1wro s ILE 145 N -0.27 1.07 0.06 0.90 1.01 -1.26 -0.71 121.20 121.99 1wro s ILE 145 Ca 0.04 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.18 1wro s ILE 145 Cb -0.08 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.39 1wro s ILE 145 CO 0.00 0.34 0.09 0.21 0.00 0.00 0.00 174.94 175.58 1wro s ASN 146 N 0.63 0.24 0.31 3.58 2.47 -0.56 -4.90 114.94 116.72 1wro s ASN 146 Ca -0.13 -0.71 -0.10 0.00 0.42 0.00 0.00 52.86 52.34 1wro s ASN 146 Cb -0.15 0.26 -0.07 0.00 -1.45 0.00 0.00 41.25 39.84 1wro s ASN 146 CO 0.03 -0.61 0.66 -1.38 -3.72 0.00 0.00 177.10 172.08 1wro s HIS 147 N -3.42 3.43 0.00 0.43 -3.43 -1.26 -0.22 115.29 110.81 1wro s HIS 147 Ca 0.02 0.97 0.00 0.00 -0.80 0.00 0.00 55.06 55.25 1wro s HIS 147 Cb 0.04 -2.36 0.00 0.00 -1.43 0.00 0.00 32.58 28.83 1wro s HIS 147 CO -0.08 0.10 0.48 -0.89 -2.00 0.00 0.00 174.74 172.35