#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o40 s GLN 2 N 0.00 3.51 -0.15 0.54 0.74 -1.26 -1.82 119.66 121.22 2o40 s GLN 2 Ca 0.00 -0.60 0.02 0.00 0.05 0.00 0.00 55.36 54.83 2o40 s GLN 2 Cb 0.00 -2.86 0.02 0.00 1.10 0.00 0.00 33.01 31.27 2o40 s GLN 2 CO 0.00 0.12 -0.19 0.42 -0.55 0.00 0.00 175.29 175.08 2o40 s ILE 3 N 0.65 1.93 0.72 -2.34 1.01 0.53 -4.98 121.20 118.72 2o40 s ILE 3 Ca -0.04 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 2o40 s ILE 3 Cb -0.15 -1.74 0.09 0.00 0.01 0.00 0.00 42.46 40.67 2o40 s ILE 3 CO 0.02 0.52 1.01 0.42 0.00 0.00 0.00 174.94 176.92 2o40 s THR 4 N 1.11 2.27 -0.16 2.92 -4.23 -1.26 -1.16 115.64 115.13 2o40 s THR 4 Ca -0.01 -0.36 0.16 0.00 -1.18 0.00 0.00 61.69 60.31 2o40 s THR 4 Cb -0.14 -2.91 0.35 0.00 1.34 0.00 0.00 72.50 71.14 2o40 s THR 4 CO -0.07 0.00 1.20 0.18 -0.54 0.00 0.00 174.62 175.39 2o40 n LEU 5 N -2.92 2.65 0.11 4.79 4.77 -1.26 -4.55 117.00 120.59 2o40 n LEU 5 Ca 0.10 -3.33 -0.00 0.00 -0.03 0.00 0.00 56.01 52.74 2o40 n LEU 5 Cb 0.60 -0.48 0.28 0.00 -2.33 0.00 0.00 43.42 41.50 2o40 n LEU 5 CO 0.48 0.92 0.71 -0.50 -1.33 0.00 0.00 177.39 177.67 2o40 h TRP 6 N 0.46 0.22 -1.78 -1.77 4.06 -1.96 -3.43 115.95 111.75 2o40 h TRP 6 Ca 0.01 -0.05 -0.62 0.00 2.06 0.00 0.00 58.89 60.29 2o40 h TRP 6 Cb 1.07 -0.05 -0.13 0.00 -1.00 0.00 0.00 29.16 29.05 2o40 h TRP 6 CO 0.29 0.52 -0.63 0.15 -3.56 0.00 0.00 178.44 175.22 2o40 s LYS 7 N -4.27 1.93 0.27 0.49 1.02 -1.26 -5.10 119.74 112.81 2o40 s LYS 7 Ca -0.04 -2.00 -0.31 0.00 0.02 0.00 0.00 55.97 53.64 2o40 s LYS 7 Cb 0.14 -1.71 -0.12 0.00 -0.52 0.00 0.00 37.83 35.62 2o40 s LYS 7 CO 0.76 0.03 1.50 0.54 -0.92 0.00 0.00 175.35 177.26 2o40 n ARG 8 N -0.92 2.37 -1.67 1.68 1.74 -1.26 -4.85 116.66 113.76 2o40 n ARG 8 Ca -0.05 0.84 -0.42 0.00 -0.77 0.00 0.00 57.85 57.46 2o40 n ARG 8 Cb 0.65 -2.56 -0.01 0.00 -1.02 0.00 0.00 32.46 29.52 2o40 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2o40 n PRO 9 N 2.07 2.72 -3.10 5.56 -0.04 -1.26 -4.94 135.00 136.00 2o40 n PRO 9 Ca 0.10 -2.52 -0.39 0.00 -0.04 0.00 0.00 63.50 60.65 2o40 n PRO 9 Cb 0.34 -3.25 -0.05 0.00 -0.04 0.00 0.00 33.50 30.50 2o40 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2o40 s LEU 10 N 2.08 4.43 0.10 1.53 1.43 -1.26 -1.30 118.68 125.69 2o40 s LEU 10 Ca 0.48 1.29 0.02 0.00 -1.03 0.00 0.00 54.13 54.88 2o40 s LEU 10 Cb 0.14 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 2o40 s LEU 10 CO -0.07 0.06 -0.07 0.68 0.23 0.00 0.00 176.35 177.18 2o40 s VAL 11 N -0.11 0.69 0.10 -1.59 -7.23 0.05 -4.96 120.40 107.35 2o40 s VAL 11 Ca 0.34 -1.90 -0.23 0.00 -1.81 0.00 0.00 61.98 58.38 2o40 s VAL 11 Cb -0.19 -1.64 -0.07 0.00 0.56 0.00 0.00 36.38 35.04 2o40 s VAL 11 CO 0.20 -0.85 0.71 -0.89 -0.31 0.00 0.00 175.10 173.96 2o40 s THR 12 N -3.52 4.59 0.17 5.32 2.01 -1.26 -0.97 115.64 121.97 2o40 s THR 12 Ca 0.11 1.53 0.08 0.00 0.31 0.00 0.00 61.69 63.73 2o40 s THR 12 Cb 0.05 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 2o40 s THR 12 CO -0.05 0.48 -0.18 0.27 -0.69 0.00 0.00 174.62 174.45 2o40 s ILE 13 N -0.77 1.82 -0.12 1.82 -4.36 0.52 -4.64 121.20 115.46 2o40 s ILE 13 Ca 0.34 -1.92 0.02 0.00 -0.26 0.00 0.00 60.65 58.83 2o40 s ILE 13 Cb -0.21 -1.85 -0.01 0.00 1.25 0.00 0.00 42.46 41.64 2o40 s ILE 13 CO 0.23 -0.32 -0.18 -0.13 0.24 0.00 0.00 174.94 174.78 2o40 s ARG 14 N -2.80 3.21 -0.20 0.37 0.52 -0.29 -1.13 118.95 118.63 2o40 s ARG 14 Ca 0.16 -0.78 -0.09 0.00 -0.52 0.00 0.00 55.73 54.49 2o40 s ARG 14 Cb -0.06 -2.49 0.08 0.00 0.52 0.00 0.00 34.95 33.00 2o40 s ARG 14 CO 0.07 0.16 0.46 -1.50 0.02 0.00 0.00 175.30 174.51 2o40 s ILE 15 N 0.43 -0.26 -1.70 1.52 2.07 -0.10 -1.41 121.20 121.75 2o40 s ILE 15 Ca -0.13 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.21 2o40 s ILE 15 Cb -0.17 -0.70 0.00 0.00 0.13 0.00 0.00 42.46 41.72 2o40 s ILE 15 CO 0.06 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.74 2o40 n GLY 16 N 4.68 0.72 1.92 1.50 0.00 -1.26 -1.76 105.19 110.98 2o40 n GLY 16 Ca -0.18 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2o40 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o40 n GLY 17 N -0.91 1.17 3.40 -0.02 0.00 -1.26 -5.01 105.19 102.57 2o40 n GLY 17 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2o40 n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2o40 s GLN 18 N -0.36 1.70 0.01 1.61 0.74 -0.73 -5.12 119.66 117.51 2o40 s GLN 18 Ca 0.00 -1.19 -0.20 0.00 0.05 0.00 0.00 55.36 54.03 2o40 s GLN 18 Cb 0.00 -2.00 -0.06 0.00 1.10 0.00 0.00 33.01 32.05 2o40 s GLN 18 CO 0.00 0.49 0.57 -0.51 -0.55 0.00 0.00 175.29 175.29 2o40 s LEU 19 N -1.70 4.44 0.13 3.68 1.43 -1.26 -0.92 118.68 124.47 2o40 s LEU 19 Ca 0.14 1.15 -0.00 0.00 -1.03 0.00 0.00 54.13 54.39 2o40 s LEU 19 Cb -0.10 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 2o40 s LEU 19 CO 0.05 0.16 0.02 -0.54 0.23 0.00 0.00 176.35 176.27 2o40 s LYS 20 N -0.44 0.91 -0.11 1.70 1.02 -0.29 -4.99 119.74 117.54 2o40 s LYS 20 Ca 0.30 -1.42 -0.06 0.00 0.02 0.00 0.00 55.97 54.80 2o40 s LYS 20 Cb -0.18 0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.17 2o40 s LYS 20 CO 0.17 -0.19 0.11 -2.00 -0.92 0.00 0.00 175.35 172.52 2o40 s GLU 21 N -3.98 3.36 0.04 1.68 2.12 -1.26 -0.35 118.70 120.30 2o40 s GLU 21 Ca 0.21 -0.19 -0.12 0.00 0.36 0.00 0.00 54.97 55.23 2o40 s GLU 21 Cb 0.07 -3.11 0.01 0.00 0.26 0.00 0.00 34.13 31.36 2o40 s GLU 21 CO -0.00 0.76 0.26 0.00 -0.54 0.00 0.00 175.26 175.74 2o40 s ALA 22 N -0.98 -0.57 -0.16 6.30 0.00 -0.15 -4.58 121.76 121.62 2o40 s ALA 22 Ca 0.14 -0.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.87 2o40 s ALA 22 Cb -0.12 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 2o40 s ALA 22 CO 0.04 -0.39 0.33 -1.17 0.00 0.00 0.00 175.76 174.57 2o40 s LEU 23 N -2.04 4.23 -0.34 0.00 2.96 0.57 -0.77 118.68 123.29 2o40 s LEU 23 Ca -0.05 0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 54.10 2o40 s LEU 23 Cb -0.01 -2.43 -0.00 0.00 0.50 0.00 0.00 46.19 44.25 2o40 s LEU 23 CO -0.03 0.06 1.42 -0.76 -1.32 0.00 0.00 176.35 175.72 2o40 s LEU 24 N 0.64 3.73 -0.42 -0.68 1.43 -0.42 -0.71 118.68 122.25 2o40 s LEU 24 Ca 0.18 1.11 0.03 0.00 -1.03 0.00 0.00 54.13 54.42 2o40 s LEU 24 Cb -0.13 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.66 2o40 s LEU 24 CO 0.05 -1.29 0.17 -0.62 0.23 0.00 0.00 176.35 174.89 2o40 s ASP 25 N 3.68 4.32 0.45 2.29 -1.08 -0.03 -4.08 116.67 122.22 2o40 s ASP 25 Ca 0.62 -2.52 0.31 0.00 -0.52 0.00 0.00 52.55 50.44 2o40 s ASP 25 Cb -0.17 -1.45 1.39 0.00 -1.46 0.00 0.00 42.92 41.23 2o40 s ASP 25 CO 0.29 -0.31 1.93 0.71 0.52 0.00 0.00 175.17 178.31 2o40 h THR 26 N 5.93 0.00 -0.09 1.71 1.35 -1.83 -2.14 112.91 117.84 2o40 h THR 26 Ca -0.06 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2o40 h THR 26 Cb 0.95 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2o40 h THR 26 CO 0.57 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 2o40 n GLY 27 N -0.28 -0.27 3.48 5.82 0.00 -1.25 -4.60 105.19 108.08 2o40 n GLY 27 Ca 0.00 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 2o40 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o40 s ALA 28 N -1.88 2.99 0.18 4.61 0.00 -0.80 -4.99 121.76 121.87 2o40 s ALA 28 Ca 0.30 -0.87 -0.08 0.00 0.00 0.00 0.00 51.96 51.31 2o40 s ALA 28 Cb 0.15 -1.60 0.08 0.00 0.00 0.00 0.00 23.12 21.76 2o40 s ALA 28 CO 0.24 0.11 1.61 -0.44 0.00 0.00 0.00 175.76 177.29 2o40 h ASP 29 N 6.93 0.99 -2.66 0.00 3.32 -1.87 0.14 116.42 123.26 2o40 h ASP 29 Ca -0.32 -0.33 -0.53 0.00 0.02 0.00 0.00 57.03 55.87 2o40 h ASP 29 Cb 1.19 -0.27 -0.14 0.00 0.22 0.00 0.00 39.33 40.33 2o40 h ASP 29 CO 0.62 1.11 -0.66 -1.81 -1.72 0.00 0.00 179.24 176.78 2o40 s ASP 30 N -6.66 3.00 -0.19 6.45 1.01 -1.26 -2.15 116.67 116.87 2o40 s ASP 30 Ca -0.11 -1.23 -0.14 0.00 0.71 0.00 0.00 52.55 51.77 2o40 s ASP 30 Cb 0.13 -0.21 -0.04 0.00 1.01 0.00 0.00 42.92 43.80 2o40 s ASP 30 CO 0.86 -0.36 0.31 -0.89 0.21 0.00 0.00 175.17 175.30 2o40 s THR 31 N -2.95 5.28 -0.09 -1.27 2.01 -1.26 -3.34 115.64 114.02 2o40 s THR 31 Ca 0.32 0.55 0.00 0.00 0.31 0.00 0.00 61.69 62.87 2o40 s THR 31 Cb 0.05 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.93 2o40 s THR 31 CO 0.14 0.33 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.63 2o40 s VAL 32 N 0.88 0.97 0.05 3.82 1.01 -0.57 -0.99 120.40 125.58 2o40 s VAL 32 Ca 0.16 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 61.92 2o40 s VAL 32 Cb -0.14 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 2o40 s VAL 32 CO 0.05 0.34 -0.24 -0.63 0.00 0.00 0.00 175.10 174.63 2o40 s ILE 33 N 1.34 1.91 0.91 2.22 -1.09 0.60 -0.82 121.20 126.28 2o40 s ILE 33 Ca -0.02 -1.34 -0.13 0.00 -2.23 0.00 0.00 60.65 56.93 2o40 s ILE 33 Cb -0.14 -1.65 0.04 0.00 -1.58 0.00 0.00 42.46 39.13 2o40 s ILE 33 CO -0.04 0.25 0.57 -1.84 -1.23 0.00 0.00 174.94 172.65 2o40 n GLU 34 N 1.71 -0.20 -1.58 2.79 0.28 -1.25 -1.55 120.64 120.84 2o40 n GLU 34 Ca -0.17 -0.01 -0.38 0.00 -0.16 0.00 0.00 57.16 56.44 2o40 n GLU 34 Cb 0.53 -1.96 0.05 0.00 1.43 0.00 0.00 31.44 31.49 2o40 n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2o40 n GLU 35 N -1.99 0.78 -3.54 3.44 1.02 -1.23 -4.50 120.64 114.61 2o40 n GLU 35 Ca 0.08 0.30 -0.37 0.00 -0.02 0.00 0.00 57.16 57.15 2o40 n GLU 35 Cb 0.53 -2.05 -0.06 0.00 -0.02 0.00 0.00 31.44 29.84 2o40 n GLU 35 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2o40 s ASN 37 N -1.25 6.57 -0.04 1.62 -0.87 -1.26 -5.01 114.94 114.70 2o40 s ASN 37 Ca 0.74 0.67 0.05 0.00 -1.57 0.00 0.00 52.86 52.76 2o40 s ASN 37 Cb -0.42 -2.20 -0.01 0.00 -0.02 0.00 0.00 41.25 38.60 2o40 s ASN 37 CO 0.49 0.19 -0.20 -0.76 -2.57 0.00 0.00 177.10 174.25 2o40 s LEU 38 N -0.15 1.98 -0.22 0.60 1.43 -1.26 -5.00 118.68 116.07 2o40 s LEU 38 Ca 0.20 -0.39 -0.28 0.00 -1.03 0.00 0.00 54.13 52.62 2o40 s LEU 38 Cb -0.14 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 2o40 s LEU 38 CO 0.07 0.20 2.05 -2.84 0.23 0.00 0.00 176.35 176.06 2o40 s PRO 39 N -0.15 3.34 0.00 1.29 0.02 -1.26 -5.04 135.00 133.20 2o40 s PRO 39 Ca -0.01 1.92 0.00 0.00 0.02 0.00 0.00 61.00 62.94 2o40 s PRO 39 Cb -0.11 -4.28 0.00 0.00 0.02 0.00 0.00 34.50 30.13 2o40 s PRO 39 CO 0.02 -1.86 0.00 0.41 -0.33 0.00 0.00 177.00 175.23 2o40 n GLY 40 N 5.47 -0.57 3.61 0.52 0.00 -1.26 -5.07 105.19 107.88 2o40 n GLY 40 Ca 0.26 0.10 0.02 0.00 0.00 0.00 0.00 46.02 46.39 2o40 n GLY 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2o40 s TRP 42 N 0.00 -0.04 0.02 1.61 1.48 -1.26 -5.13 118.94 115.62 2o40 s TRP 42 Ca 0.00 -0.04 0.01 0.00 -1.06 0.00 0.00 56.10 55.01 2o40 s TRP 42 Cb 0.00 0.54 -0.02 0.00 -1.16 0.00 0.00 33.47 32.83 2o40 s TRP 42 CO 0.00 -0.22 -0.06 -1.59 -4.06 0.00 0.00 176.95 171.02 2o40 s LYS 43 N -2.35 0.42 0.28 3.25 -2.85 -0.63 -4.92 119.74 112.93 2o40 s LYS 43 Ca 0.14 -0.53 -0.29 0.00 -1.00 0.00 0.00 55.97 54.29 2o40 s LYS 43 Cb 0.05 -0.22 -0.10 0.00 -2.06 0.00 0.00 37.83 35.51 2o40 s LYS 43 CO -0.04 0.04 1.26 -1.25 0.10 0.00 0.00 175.35 175.46 2o40 s PRO 44 N -1.07 4.43 0.00 1.78 0.04 -1.26 -0.20 135.00 138.72 2o40 s PRO 44 Ca -0.07 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2o40 s PRO 44 Cb -0.07 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2o40 s PRO 44 CO -0.00 -0.11 0.00 1.17 0.04 0.00 0.00 177.00 178.10 2o40 n LYS 45 N 1.42 0.00 0.00 4.56 4.81 -0.61 -4.90 118.16 123.45 2o40 n LYS 45 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2o40 n LYS 45 Cb 0.43 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.48 2o40 n LYS 45 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2o40 n ILE 47 N 0.00 0.00 -4.38 3.15 -5.35 -0.70 -1.11 119.36 110.97 2o40 n ILE 47 Ca 0.00 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.27 2o40 n ILE 47 Cb 0.00 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 2o40 n ILE 47 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2o40 s GLY 48 N 0.00 1.56 0.00 3.28 0.00 -1.26 -1.29 107.32 109.61 2o40 s GLY 48 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.01 2o40 s GLY 48 CO 0.00 -1.80 0.00 0.61 0.00 0.00 0.00 173.10 171.91 2o40 n GLY 49 N -0.37 4.46 0.28 0.20 0.00 0.14 -4.97 105.19 104.93 2o40 n GLY 49 Ca -0.08 -1.14 0.04 0.00 0.00 0.00 0.00 46.02 44.84 2o40 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2o40 h ILE 50 N 0.00 1.10 -0.02 -0.61 6.09 -1.88 -2.94 117.51 119.25 2o40 h ILE 50 Ca 0.00 -0.28 0.00 0.00 -1.37 0.00 0.00 64.86 63.21 2o40 h ILE 50 Cb 0.00 0.76 0.00 0.00 0.47 0.00 0.00 36.82 38.05 2o40 h ILE 50 CO 0.00 0.11 -0.25 0.61 -3.07 0.00 0.00 178.15 175.56 2o40 n GLY 51 N -1.35 0.40 0.00 8.18 0.00 -0.68 -4.77 105.19 106.97 2o40 n GLY 51 Ca 0.01 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2o40 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o40 n GLY 52 N 1.33 0.64 3.60 -0.02 0.00 -1.11 -4.27 105.19 105.36 2o40 n GLY 52 Ca 0.11 -1.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 2o40 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2o40 s PHE 53 N -2.49 2.86 0.15 1.61 0.40 -1.26 -0.68 117.98 118.57 2o40 s PHE 53 Ca 0.00 -0.07 0.05 0.00 -0.60 0.00 0.00 56.93 56.31 2o40 s PHE 53 Cb 0.00 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 2o40 s PHE 53 CO 0.00 0.40 -0.12 0.96 0.70 0.00 0.00 175.22 177.17 2o40 s ILE 54 N -1.10 1.31 -0.08 0.64 -4.36 -0.41 -4.74 121.20 112.45 2o40 s ILE 54 Ca 0.20 -2.03 -0.16 0.00 -0.26 0.00 0.00 60.65 58.40 2o40 s ILE 54 Cb -0.11 -1.82 -0.05 0.00 1.25 0.00 0.00 42.46 41.73 2o40 s ILE 54 CO 0.11 -0.66 0.42 -0.54 0.24 0.00 0.00 174.94 174.51 2o40 s LYS 55 N -3.53 4.18 0.21 0.37 1.02 -1.26 -1.72 119.74 119.02 2o40 s LYS 55 Ca 0.16 0.37 0.03 0.00 0.02 0.00 0.00 55.97 56.56 2o40 s LYS 55 Cb 0.00 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.91 2o40 s LYS 55 CO 0.02 0.36 -0.02 0.14 -0.92 0.00 0.00 175.35 174.94 2o40 s VAL 56 N 0.00 1.00 -0.25 3.17 -7.23 -0.26 -4.47 120.40 112.36 2o40 s VAL 56 Ca 0.23 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 58.26 2o40 s VAL 56 Cb -0.15 -2.25 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 2o40 s VAL 56 CO 0.10 -0.40 0.22 -0.13 -0.31 0.00 0.00 175.10 174.58 2o40 s ARG 57 N -3.86 4.05 -0.26 4.82 0.52 0.20 -1.57 118.95 122.85 2o40 s ARG 57 Ca 0.26 -0.19 -0.14 0.00 -0.52 0.00 0.00 55.73 55.14 2o40 s ARG 57 Cb 0.05 -3.58 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 2o40 s ARG 57 CO 0.07 -0.05 0.35 -1.14 0.02 0.00 0.00 175.30 174.55 2o40 s GLN 58 N 1.38 4.02 -0.16 3.54 0.74 0.72 -0.82 119.66 129.08 2o40 s GLN 58 Ca 0.10 0.01 -0.04 0.00 0.05 0.00 0.00 55.36 55.48 2o40 s GLN 58 Cb -0.15 -3.64 -0.03 0.00 1.10 0.00 0.00 33.01 30.30 2o40 s GLN 58 CO 0.07 -0.24 -0.04 0.71 -0.55 0.00 0.00 175.29 175.25 2o40 s TYR 59 N 1.95 3.01 0.19 1.67 1.51 -0.16 -1.61 117.35 123.91 2o40 s TYR 59 Ca 0.14 -0.37 0.03 0.00 -1.01 0.00 0.00 57.07 55.86 2o40 s TYR 59 Cb -0.16 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 2o40 s TYR 59 CO 0.10 -0.10 0.33 -0.51 -1.11 0.00 0.00 175.55 174.25 2o40 s ASP 60 N 0.53 6.34 -1.45 2.29 1.01 -1.26 -0.71 116.67 123.41 2o40 s ASP 60 Ca -0.03 0.19 -0.10 0.00 0.71 0.00 0.00 52.55 53.32 2o40 s ASP 60 Cb -0.14 -1.92 0.05 0.00 1.01 0.00 0.00 42.92 41.92 2o40 s ASP 60 CO 0.03 -0.01 0.98 1.67 0.21 0.00 0.00 175.17 178.05 2o40 n GLN 61 N -0.84 -5.94 -3.20 8.23 7.27 -1.15 -4.90 117.38 116.84 2o40 n GLN 61 Ca -0.07 0.65 -0.40 0.00 0.07 0.00 0.00 57.00 57.26 2o40 n GLN 61 Cb 0.55 -5.53 -0.07 0.00 2.41 0.00 0.00 30.24 27.61 2o40 n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2o40 s ILE 62 N -3.37 5.07 0.24 1.69 -1.09 0.34 -4.67 121.20 119.40 2o40 s ILE 62 Ca 0.51 1.01 -0.30 0.00 -2.23 0.00 0.00 60.65 59.65 2o40 s ILE 62 Cb -0.25 -3.87 -0.09 0.00 -1.58 0.00 0.00 42.46 36.67 2o40 s ILE 62 CO 0.80 0.13 1.32 -2.84 -1.23 0.00 0.00 174.94 173.13 2o40 s PRO 63 N 1.89 4.37 -0.03 2.79 0.02 -1.26 -1.50 135.00 141.29 2o40 s PRO 63 Ca 0.25 2.12 -0.00 0.00 0.02 0.00 0.00 61.00 63.39 2o40 s PRO 63 Cb -0.16 -3.16 0.03 0.00 0.02 0.00 0.00 34.50 31.24 2o40 s PRO 63 CO 0.10 -0.25 0.02 0.08 -0.33 0.00 0.00 177.00 176.62 2o40 s VAL 64 N -0.20 0.02 -0.25 3.83 1.01 0.41 -4.41 120.40 120.81 2o40 s VAL 64 Ca 0.55 0.20 -0.10 0.00 0.00 0.00 0.00 61.98 62.63 2o40 s VAL 64 Cb -0.38 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 2o40 s VAL 64 CO 0.42 0.12 0.16 -0.70 0.00 0.00 0.00 175.10 175.10 2o40 s GLU 65 N 1.24 3.99 -0.22 2.72 2.12 -0.50 -0.74 118.70 127.30 2o40 s GLU 65 Ca -0.07 -0.31 0.12 0.00 0.36 0.00 0.00 54.97 55.07 2o40 s GLU 65 Cb -0.13 -3.56 0.43 0.00 0.26 0.00 0.00 34.13 31.14 2o40 s GLU 65 CO -0.03 -0.04 1.29 -0.89 -0.54 0.00 0.00 175.26 175.05 2o40 n ILE 66 N 4.60 2.26 0.00 -3.70 5.41 -1.26 -1.13 119.36 125.54 2o40 n ILE 66 Ca -0.15 -2.87 0.00 0.00 1.00 0.00 0.00 62.75 60.73 2o40 n ILE 66 Cb 0.52 -0.26 0.00 0.00 -0.71 0.00 0.00 39.64 39.19 2o40 n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2o40 n GLY 68 N -1.14 0.00 3.70 7.39 0.00 -1.26 -4.76 105.19 109.12 2o40 n GLY 68 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 2o40 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o40 s HIS 69 N 0.00 3.31 0.08 1.61 4.02 -1.26 -5.08 115.29 117.97 2o40 s HIS 69 Ca 0.00 0.21 -0.24 0.00 1.02 0.00 0.00 55.06 56.04 2o40 s HIS 69 Cb 0.00 -1.99 -0.06 0.00 -1.02 0.00 0.00 32.58 29.50 2o40 s HIS 69 CO 0.00 0.35 0.74 0.15 1.02 0.00 0.00 174.74 177.00 2o40 s LYS 70 N -0.18 4.48 0.07 1.40 1.02 -1.26 -4.37 119.74 120.89 2o40 s LYS 70 Ca 0.08 1.04 0.02 0.00 0.02 0.00 0.00 55.97 57.12 2o40 s LYS 70 Cb -0.12 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 2o40 s LYS 70 CO 0.01 0.41 -0.07 0.00 -0.92 0.00 0.00 175.35 174.79 2o40 s ALA 71 N -0.50 0.74 -0.13 5.17 0.00 0.08 -4.68 121.76 122.44 2o40 s ALA 71 Ca 0.36 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 2o40 s ALA 71 Cb -0.21 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.07 2o40 s ALA 71 CO 0.23 -0.14 0.08 0.42 0.00 0.00 0.00 175.76 176.34 2o40 s ILE 72 N -2.57 -0.07 0.00 0.00 1.01 -1.26 -0.44 121.20 117.88 2o40 s ILE 72 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.68 2o40 s ILE 72 Cb -0.02 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 42.00 2o40 s ILE 72 CO -0.03 -0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.41 2o40 n GLY 73 N 5.28 1.68 3.73 6.18 0.00 -0.56 -4.79 105.19 116.70 2o40 n GLY 73 Ca -0.06 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 2o40 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2o40 s THR 74 N -2.51 4.32 -0.08 2.61 2.01 -1.26 -0.50 115.64 120.23 2o40 s THR 74 Ca 0.00 1.97 0.02 0.00 0.31 0.00 0.00 61.69 63.98 2o40 s THR 74 Cb 0.00 -4.25 0.02 0.00 0.01 0.00 0.00 72.50 68.27 2o40 s THR 74 CO 0.00 0.32 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.45 2o40 s VAL 75 N -0.13 1.14 -0.16 3.82 1.01 0.11 -4.48 120.40 121.70 2o40 s VAL 75 Ca 0.47 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 2o40 s VAL 75 Cb -0.25 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 2o40 s VAL 75 CO 0.31 0.36 0.13 -0.76 0.00 0.00 0.00 175.10 175.15 2o40 s LEU 76 N 0.89 4.30 -0.13 3.92 1.43 -0.16 -0.99 118.68 127.95 2o40 s LEU 76 Ca -0.10 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 2o40 s LEU 76 Cb -0.15 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 43.99 2o40 s LEU 76 CO 0.01 0.30 -0.21 -0.69 0.23 0.00 0.00 176.35 175.99 2o40 s VAL 77 N -0.38 2.23 -0.91 -1.59 1.01 -0.00 -0.29 120.40 120.48 2o40 s VAL 77 Ca 0.12 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.16 2o40 s VAL 77 Cb -0.12 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.37 2o40 s VAL 77 CO 0.01 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2o40 n GLY 78 N 3.86 -1.35 2.29 4.51 0.00 -0.60 -0.62 105.19 113.29 2o40 n GLY 78 Ca -0.19 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 2o40 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2o40 n PRO 79 N -0.09 3.02 -2.65 1.61 -0.04 -1.26 -3.47 135.00 132.11 2o40 n PRO 79 Ca 0.00 -1.78 -0.38 0.00 -0.04 0.00 0.00 63.50 61.30 2o40 n PRO 79 Cb 0.00 -2.55 -0.05 0.00 -0.04 0.00 0.00 33.50 30.86 2o40 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2o40 s THR 80 N 2.12 3.91 0.34 0.52 -1.32 -1.26 -4.84 115.64 115.11 2o40 s THR 80 Ca 0.63 1.67 0.21 0.00 -1.21 0.00 0.00 61.69 62.99 2o40 s THR 80 Cb 0.20 -3.96 0.21 0.00 -1.51 0.00 0.00 72.50 67.43 2o40 s THR 80 CO -0.04 0.20 1.93 1.55 -2.21 0.00 0.00 174.62 176.05 2o40 h PRO 81 N 3.27 0.00 -3.62 7.08 0.13 -1.91 -3.44 132.00 133.51 2o40 h PRO 81 Ca -0.47 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 2o40 h PRO 81 Cb 1.20 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.04 2o40 h PRO 81 CO 0.65 0.23 -0.69 0.08 -0.23 0.00 0.00 178.00 178.04 2o40 s VAL 82 N -4.08 -0.01 0.13 1.56 1.01 -1.26 -5.11 120.40 112.64 2o40 s VAL 82 Ca -0.02 0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 2o40 s VAL 82 Cb 0.13 -0.06 -0.08 0.00 0.00 0.00 0.00 36.38 36.36 2o40 s VAL 82 CO 0.65 0.02 1.41 0.20 0.00 0.00 0.00 175.10 177.38 2o40 s ASN 83 N 0.26 6.79 -0.03 3.32 0.01 -1.26 -4.84 114.94 119.18 2o40 s ASN 83 Ca -0.02 2.38 0.03 0.00 -0.71 0.00 0.00 52.86 54.54 2o40 s ASN 83 Cb -0.03 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.04 2o40 s ASN 83 CO -0.01 -0.67 -0.11 0.27 -1.51 0.00 0.00 177.10 175.07 2o40 s ILE 84 N 1.05 0.94 -0.31 0.60 -4.36 0.00 -0.32 121.20 118.81 2o40 s ILE 84 Ca 0.65 -0.44 -0.16 0.00 -0.26 0.00 0.00 60.65 60.44 2o40 s ILE 84 Cb -0.38 -0.83 -0.02 0.00 1.25 0.00 0.00 42.46 42.48 2o40 s ILE 84 CO 0.31 0.29 0.41 -0.63 0.24 0.00 0.00 174.94 175.56 2o40 s ILE 85 N 0.19 5.13 0.14 8.37 -1.09 0.12 -1.51 121.20 132.55 2o40 s ILE 85 Ca -0.04 0.40 0.02 0.00 -2.23 0.00 0.00 60.65 58.80 2o40 s ILE 85 Cb -0.10 -3.80 0.02 0.00 -1.58 0.00 0.00 42.46 37.00 2o40 s ILE 85 CO 0.01 -0.00 0.17 0.61 -1.23 0.00 0.00 174.94 174.50 2o40 n GLY 86 N 4.76 2.20 0.24 6.18 0.00 -1.21 -0.85 105.19 116.50 2o40 n GLY 86 Ca -0.07 -2.16 0.04 0.00 0.00 0.00 0.00 46.02 43.82 2o40 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2o40 h ARG 87 N 0.00 0.12 -0.76 1.61 3.08 -0.62 -1.04 114.38 116.77 2o40 h ARG 87 Ca -0.07 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.07 2o40 h ARG 87 Cb 0.30 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 2o40 h ARG 87 CO 0.10 0.25 0.50 -2.95 -1.07 0.00 0.00 179.97 176.80 2o40 h ASN 88 N 0.12 0.54 0.05 7.04 -1.07 -1.69 -1.97 115.58 118.61 2o40 h ASN 88 Ca 0.03 0.02 -0.31 0.00 0.07 0.00 0.00 56.30 56.11 2o40 h ASN 88 Cb 0.29 -0.09 -0.06 0.00 -2.07 0.00 0.00 38.32 36.39 2o40 h ASN 88 CO 0.02 0.31 -2.26 0.18 0.07 0.00 0.00 177.43 175.75 2o40 n LEU 89 N -4.50 0.08 -0.38 6.14 4.77 -0.81 -4.22 117.00 118.08 2o40 n LEU 89 Ca 0.13 0.04 -0.02 0.00 -0.03 0.00 0.00 56.01 56.13 2o40 n LEU 89 Cb 0.40 0.39 0.11 0.00 -2.33 0.00 0.00 43.42 41.99 2o40 n LEU 89 CO 0.32 0.41 1.29 -0.07 -1.33 0.00 0.00 177.39 178.02 2o40 h LEU 90 N 0.00 1.14 -1.39 2.23 3.38 -1.05 -1.84 115.31 117.78 2o40 h LEU 90 Ca -0.44 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 2o40 h LEU 90 Cb 2.04 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 2o40 h LEU 90 CO 0.03 0.82 0.13 0.71 0.09 0.00 0.00 178.44 180.22 2o40 h THR 91 N 1.35 1.16 0.00 0.22 1.35 -1.56 -2.62 112.91 112.80 2o40 h THR 91 Ca 0.37 -0.51 -0.07 0.00 -0.55 0.00 0.00 66.41 65.65 2o40 h THR 91 Cb -0.14 0.72 -0.01 0.00 -1.73 0.00 0.00 68.15 67.00 2o40 h THR 91 CO -0.09 0.19 -0.35 1.56 -0.25 0.00 0.00 175.52 176.58 2o40 h GLN 92 N 0.54 0.00 -0.49 4.72 4.20 -1.51 -2.69 115.11 119.88 2o40 h GLN 92 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2o40 h GLN 92 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2o40 h GLN 92 CO -0.01 0.35 0.00 0.44 -0.67 0.00 0.00 178.83 178.94 2o40 n ILE 93 N -3.93 0.64 -1.26 2.54 -5.35 -1.05 -4.93 119.36 106.02 2o40 n ILE 93 Ca -0.02 -0.78 0.00 0.00 -0.27 0.00 0.00 62.75 61.68 2o40 n ILE 93 Cb 0.41 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 39.04 2o40 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2o40 n GLY 94 N 1.51 -3.45 0.00 3.28 0.00 -1.01 -4.85 105.19 100.68 2o40 n GLY 94 Ca 0.21 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2o40 n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2o40 n THR 96 N 0.38 0.00 -3.67 2.61 -2.24 -0.54 -4.49 114.28 106.32 2o40 n THR 96 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 2o40 n THR 96 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 2o40 n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2o40 s LEU 97 N 0.00 4.34 -0.01 3.22 1.43 -0.10 -1.58 118.68 125.98 2o40 s LEU 97 Ca 0.00 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 2o40 s LEU 97 Cb 0.00 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.94 2o40 s LEU 97 CO 0.00 0.27 -0.07 0.20 0.23 0.00 0.00 176.35 176.98 2o40 s ASN 98 N -0.39 0.86 -1.19 2.29 0.01 -0.04 -0.09 114.94 116.39 2o40 s ASN 98 Ca 0.16 -0.13 -0.09 0.00 -0.71 0.00 0.00 52.86 52.09 2o40 s ASN 98 Cb -0.13 -0.17 0.22 0.00 0.41 0.00 0.00 41.25 41.58 2o40 s ASN 98 CO 0.05 0.06 1.53 0.49 -1.51 0.00 0.00 177.10 177.72 2o40 n PHE 99 N 3.15 3.83 0.00 2.20 3.01 -0.81 -0.70 117.46 128.14 2o40 n PHE 99 Ca -0.16 -3.12 0.00 0.00 1.01 0.00 0.00 57.45 55.18 2o40 n PHE 99 Cb 0.56 -1.83 0.00 0.00 -0.01 0.00 0.00 39.48 38.20 2o40 n PHE 99 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2o40 n GLY 101 N 2.85 0.00 0.00 1.37 0.00 -1.06 -1.09 105.19 107.25 2o40 n GLY 101 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2o40 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o40 n GLY 102 N 0.00 0.82 0.05 -0.02 0.00 -1.26 -4.96 105.19 99.82 2o40 n GLY 102 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2o40 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o40 n GLY 103 N -0.77 -1.36 0.00 -0.02 0.00 -1.14 -4.94 105.19 96.95 2o40 n GLY 103 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2o40 n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o40 n GLY 104 N 1.37 3.24 3.75 -0.02 0.00 -0.25 -5.05 105.19 108.24 2o40 n GLY 104 Ca 0.04 -2.09 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 2o40 n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2o40 s PRO 105 N 0.22 3.11 -0.17 1.61 0.04 -1.26 -4.50 135.00 134.06 2o40 s PRO 105 Ca 0.00 2.17 -0.07 0.00 0.04 0.00 0.00 61.00 63.14 2o40 s PRO 105 Cb 0.00 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2o40 s PRO 105 CO 0.00 -1.19 0.07 -1.14 0.04 0.00 0.00 177.00 174.78 2o40 s GLN 106 N -2.96 3.83 -0.22 4.56 0.74 -1.26 -1.92 119.66 122.43 2o40 s GLN 106 Ca 0.72 -0.32 -0.01 0.00 0.05 0.00 0.00 55.36 55.80 2o40 s GLN 106 Cb -0.39 -3.17 0.02 0.00 1.10 0.00 0.00 33.01 30.57 2o40 s GLN 106 CO 0.46 0.38 -0.11 0.42 -0.55 0.00 0.00 175.29 175.88 2o40 s ILE 107 N 0.08 2.65 0.76 -2.34 1.01 0.88 -4.99 121.20 119.25 2o40 s ILE 107 Ca 0.06 -0.93 -0.10 0.00 0.00 0.00 0.00 60.65 59.67 2o40 s ILE 107 Cb -0.12 -2.26 0.07 0.00 0.01 0.00 0.00 42.46 40.15 2o40 s ILE 107 CO 0.01 0.34 1.11 0.42 0.00 0.00 0.00 174.94 176.82 2o40 s THR 108 N 1.33 2.22 -0.13 2.92 -4.23 -1.26 -0.92 115.64 115.56 2o40 s THR 108 Ca 0.02 -0.06 0.18 0.00 -1.18 0.00 0.00 61.69 60.65 2o40 s THR 108 Cb -0.15 -3.04 0.30 0.00 1.34 0.00 0.00 72.50 70.95 2o40 s THR 108 CO -0.07 -0.05 1.15 0.18 -0.54 0.00 0.00 174.62 175.29 2o40 n LEU 109 N -3.15 2.33 -0.14 4.79 4.77 -1.26 -4.60 117.00 119.73 2o40 n LEU 109 Ca 0.08 -3.12 -0.01 0.00 -0.03 0.00 0.00 56.01 52.92 2o40 n LEU 109 Cb 0.61 -0.43 0.23 0.00 -2.33 0.00 0.00 43.42 41.50 2o40 n LEU 109 CO 0.55 0.77 1.07 -0.50 -1.33 0.00 0.00 177.39 177.96 2o40 h TRP 110 N 0.11 0.84 -1.77 -1.77 4.06 -1.95 -3.44 115.95 112.03 2o40 h TRP 110 Ca -0.00 -0.04 -0.60 0.00 2.06 0.00 0.00 58.89 60.31 2o40 h TRP 110 Cb 1.01 -0.26 -0.13 0.00 -1.00 0.00 0.00 29.16 28.78 2o40 h TRP 110 CO 0.09 0.64 -0.58 -1.59 -3.56 0.00 0.00 178.44 173.43 2o40 s LYS 111 N -5.42 1.93 0.28 0.49 -2.85 -1.26 -5.08 119.74 107.83 2o40 s LYS 111 Ca -0.10 -2.12 -0.30 0.00 -1.00 0.00 0.00 55.97 52.45 2o40 s LYS 111 Cb 0.16 -1.36 -0.12 0.00 -2.06 0.00 0.00 37.83 34.45 2o40 s LYS 111 CO 0.79 -0.17 1.49 0.54 0.10 0.00 0.00 175.35 178.10 2o40 n ARG 112 N -0.95 2.38 -2.46 1.78 1.74 -1.26 -4.85 116.66 113.03 2o40 n ARG 112 Ca -0.07 0.85 -0.43 0.00 -0.77 0.00 0.00 57.85 57.43 2o40 n ARG 112 Cb 0.67 -2.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 2o40 n ARG 112 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2o40 n PRO 113 N 1.89 3.16 -3.55 5.56 -0.04 -1.26 -4.94 135.00 135.81 2o40 n PRO 113 Ca 0.09 -3.20 -0.37 0.00 -0.04 0.00 0.00 63.50 59.98 2o40 n PRO 113 Cb 0.35 -3.45 -0.07 0.00 -0.04 0.00 0.00 33.50 30.29 2o40 n PRO 113 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2o40 s LEU 114 N 3.80 4.32 0.20 1.53 1.43 -1.26 -1.20 118.68 127.51 2o40 s LEU 114 Ca 0.52 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 54.28 2o40 s LEU 114 Cb 0.05 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 2o40 s LEU 114 CO 0.05 0.19 0.06 0.68 0.23 0.00 0.00 176.35 177.56 2o40 s VAL 115 N -0.11 0.50 -0.04 -1.59 -7.23 0.16 -4.93 120.40 107.17 2o40 s VAL 115 Ca 0.19 -1.98 -0.23 0.00 -1.81 0.00 0.00 61.98 58.15 2o40 s VAL 115 Cb -0.14 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 2o40 s VAL 115 CO 0.07 -0.25 0.68 -0.89 -0.31 0.00 0.00 175.10 174.40 2o40 s THR 116 N -3.79 4.99 0.24 5.32 2.01 -1.26 -0.51 115.64 122.65 2o40 s THR 116 Ca 0.31 1.40 0.11 0.00 0.31 0.00 0.00 61.69 63.82 2o40 s THR 116 Cb 0.07 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 2o40 s THR 116 CO 0.08 0.30 -0.20 0.27 -0.69 0.00 0.00 174.62 174.39 2o40 s ILE 117 N 0.51 2.27 -0.09 1.82 -4.36 -0.12 -4.56 121.20 116.66 2o40 s ILE 117 Ca 0.36 -2.27 0.03 0.00 -0.26 0.00 0.00 60.65 58.51 2o40 s ILE 117 Cb -0.18 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.35 2o40 s ILE 117 CO 0.18 -0.38 -0.21 -0.60 0.24 0.00 0.00 174.94 174.17 2o40 s ARG 118 N -3.33 2.69 -0.13 0.37 3.52 0.81 -1.52 118.95 121.36 2o40 s ARG 118 Ca 0.26 -0.76 -0.08 0.00 -0.13 0.00 0.00 55.73 55.02 2o40 s ARG 118 Cb -0.05 -2.07 0.05 0.00 -1.56 0.00 0.00 34.95 31.32 2o40 s ARG 118 CO 0.12 0.13 0.33 -1.50 -0.81 0.00 0.00 175.30 173.57 2o40 s ILE 119 N 0.45 -0.02 -1.69 4.11 2.07 0.01 -1.23 121.20 124.89 2o40 s ILE 119 Ca -0.17 0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.15 2o40 s ILE 119 Cb -0.17 -0.48 0.00 0.00 0.13 0.00 0.00 42.46 41.93 2o40 s ILE 119 CO 0.07 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.75 2o40 n GLY 120 N 3.85 -0.12 2.20 1.50 0.00 -1.26 -0.62 105.19 110.73 2o40 n GLY 120 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2o40 n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o40 n GLY 121 N -0.87 0.49 3.55 -0.02 0.00 -1.26 -5.04 105.19 102.03 2o40 n GLY 121 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 2o40 n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2o40 s GLN 122 N -0.21 2.25 -0.04 1.61 -1.52 0.21 -5.12 119.66 116.83 2o40 s GLN 122 Ca 0.00 -0.91 -0.11 0.00 -1.95 0.00 0.00 55.36 52.38 2o40 s GLN 122 Cb 0.00 -2.33 -0.05 0.00 -0.22 0.00 0.00 33.01 30.41 2o40 s GLN 122 CO 0.00 0.55 0.30 -0.51 -0.25 0.00 0.00 175.29 175.38 2o40 s LEU 123 N -1.73 4.44 0.11 2.90 1.43 -1.26 -0.81 118.68 123.75 2o40 s LEU 123 Ca 0.18 0.76 -0.09 0.00 -1.03 0.00 0.00 54.13 53.95 2o40 s LEU 123 Cb -0.11 -2.41 -0.00 0.00 0.03 0.00 0.00 46.19 43.70 2o40 s LEU 123 CO 0.09 0.35 0.22 -0.54 0.23 0.00 0.00 176.35 176.70 2o40 s LYS 124 N -1.11 0.92 -0.01 1.70 1.02 -0.57 -4.99 119.74 116.70 2o40 s LYS 124 Ca 0.21 -1.01 -0.10 0.00 0.02 0.00 0.00 55.97 55.09 2o40 s LYS 124 Cb -0.15 0.35 -0.05 0.00 -0.52 0.00 0.00 37.83 37.46 2o40 s LYS 124 CO 0.10 -0.31 0.32 -2.00 -0.92 0.00 0.00 175.35 172.54 2o40 s GLU 125 N -3.89 3.71 0.03 1.68 2.12 -1.26 -0.95 118.70 120.14 2o40 s GLU 125 Ca 0.08 0.14 -0.07 0.00 0.36 0.00 0.00 54.97 55.48 2o40 s GLU 125 Cb 0.04 -3.14 -0.00 0.00 0.26 0.00 0.00 34.13 31.29 2o40 s GLU 125 CO -0.08 0.67 0.13 0.00 -0.54 0.00 0.00 175.26 175.44 2o40 s ALA 126 N -1.18 -0.20 -0.18 6.30 0.00 0.34 -4.37 121.76 122.47 2o40 s ALA 126 Ca 0.25 -0.37 -0.18 0.00 0.00 0.00 0.00 51.96 51.65 2o40 s ALA 126 Cb -0.14 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 2o40 s ALA 126 CO 0.13 -0.29 0.49 -1.17 0.00 0.00 0.00 175.76 174.92 2o40 s LEU 127 N -1.88 4.18 -0.36 0.00 2.96 0.62 -0.66 118.68 123.53 2o40 s LEU 127 Ca -0.08 0.68 -0.29 0.00 -0.22 0.00 0.00 54.13 54.22 2o40 s LEU 127 Cb -0.03 -2.67 0.01 0.00 0.50 0.00 0.00 46.19 44.00 2o40 s LEU 127 CO -0.02 -0.12 1.30 -0.76 -1.32 0.00 0.00 176.35 175.43 2o40 s LEU 128 N 1.32 3.76 -0.37 -0.68 1.43 -0.34 -0.60 118.68 123.19 2o40 s LEU 128 Ca 0.24 0.97 0.03 0.00 -1.03 0.00 0.00 54.13 54.34 2o40 s LEU 128 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.64 2o40 s LEU 128 CO 0.09 -1.20 0.11 -0.62 0.23 0.00 0.00 176.35 174.97 2o40 s ASP 129 N 3.03 4.43 0.21 2.29 2.15 -0.35 -3.90 116.67 124.53 2o40 s ASP 129 Ca 0.56 -2.24 0.22 0.00 0.43 0.00 0.00 52.55 51.52 2o40 s ASP 129 Cb -0.14 -1.41 0.91 0.00 -0.30 0.00 0.00 42.92 41.98 2o40 s ASP 129 CO 0.27 -0.35 1.67 0.35 -0.17 0.00 0.00 175.17 176.94 2o40 n THR 130 N 4.11 0.83 1.27 1.71 -2.24 -1.26 -1.65 114.28 117.06 2o40 n THR 130 Ca 0.03 0.20 0.08 0.00 -2.27 0.00 0.00 64.05 62.09 2o40 n THR 130 Cb 0.40 -1.09 0.28 0.00 -2.10 0.00 0.00 70.33 67.81 2o40 n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2o40 n GLY 131 N 0.09 0.13 3.41 3.38 0.00 -1.26 -4.66 105.19 106.29 2o40 n GLY 131 Ca 0.03 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 2o40 n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o40 s ALA 132 N -1.74 2.91 0.24 4.61 0.00 -0.66 -4.99 121.76 122.13 2o40 s ALA 132 Ca 0.25 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.25 2o40 s ALA 132 Cb 0.13 -1.63 0.29 0.00 0.00 0.00 0.00 23.12 21.91 2o40 s ALA 132 CO 0.19 -0.08 1.61 -0.44 0.00 0.00 0.00 175.76 177.05 2o40 h ASP 133 N 7.36 0.43 -2.80 0.00 3.32 -1.88 0.90 116.42 123.75 2o40 h ASP 133 Ca -0.35 -0.20 -0.51 0.00 0.02 0.00 0.00 57.03 55.99 2o40 h ASP 133 Cb 1.18 -0.12 -0.14 0.00 0.22 0.00 0.00 39.33 40.47 2o40 h ASP 133 CO 0.60 0.83 -0.62 -1.81 -1.72 0.00 0.00 179.24 176.52 2o40 s ASP 134 N -6.87 2.82 -0.15 6.45 1.01 -1.26 -2.56 116.67 116.11 2o40 s ASP 134 Ca -0.06 -1.32 -0.06 0.00 0.71 0.00 0.00 52.55 51.81 2o40 s ASP 134 Cb 0.12 -0.18 -0.04 0.00 1.01 0.00 0.00 42.92 43.84 2o40 s ASP 134 CO 0.80 -0.50 0.07 -0.89 0.21 0.00 0.00 175.17 174.87 2o40 s THR 135 N -3.08 4.88 -0.10 -1.27 2.01 -1.26 -3.35 115.64 113.46 2o40 s THR 135 Ca 0.34 -0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.32 2o40 s THR 135 Cb 0.08 -3.16 0.03 0.00 0.01 0.00 0.00 72.50 69.46 2o40 s THR 135 CO 0.15 0.52 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.87 2o40 s VAL 136 N -0.17 0.81 0.03 3.82 1.01 -0.16 -1.03 120.40 124.70 2o40 s VAL 136 Ca 0.08 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 61.95 2o40 s VAL 136 Cb -0.12 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 2o40 s VAL 136 CO 0.01 0.30 -0.18 -0.63 0.00 0.00 0.00 175.10 174.60 2o40 s ILE 137 N 1.79 2.76 0.72 2.22 -1.09 0.98 -0.47 121.20 128.11 2o40 s ILE 137 Ca 0.05 -1.16 -0.15 0.00 -2.23 0.00 0.00 60.65 57.16 2o40 s ILE 137 Cb -0.13 -2.14 0.03 0.00 -1.58 0.00 0.00 42.46 38.64 2o40 s ILE 137 CO -0.07 0.37 1.19 -0.70 -1.23 0.00 0.00 174.94 174.49 2o40 s GLU 138 N -1.35 2.22 0.49 2.79 -6.30 -1.26 -2.10 118.70 113.20 2o40 s GLU 138 Ca 0.14 1.70 -0.18 0.00 -2.50 0.00 0.00 54.97 54.12 2o40 s GLU 138 Cb -0.10 -1.85 -0.14 0.00 0.00 0.00 0.00 34.13 32.03 2o40 s GLU 138 CO 0.05 -1.76 -0.00 0.39 0.02 0.00 0.00 175.26 173.95 2o40 n GLU 139 N -2.70 0.07 -2.79 4.30 -0.58 -1.18 -4.70 120.64 113.07 2o40 n GLU 139 Ca 0.13 0.03 -0.26 0.00 -0.42 0.00 0.00 57.16 56.63 2o40 n GLU 139 Cb 0.50 -1.09 -0.03 0.00 -0.57 0.00 0.00 31.44 30.26 2o40 n GLU 139 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2o40 n ASN 141 N 2.22 4.39 -4.72 1.62 4.13 -1.26 -5.04 115.26 116.60 2o40 n ASN 141 Ca 0.09 -3.66 -0.42 0.00 1.68 0.00 0.00 54.58 52.27 2o40 n ASN 141 Cb 0.46 -0.53 -0.03 0.00 -1.54 0.00 0.00 39.78 38.14 2o40 n ASN 141 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2o40 s LEU 142 N -3.46 4.37 0.64 3.41 1.43 -1.26 -4.98 118.68 118.83 2o40 s LEU 142 Ca 0.48 2.81 -0.12 0.00 -1.03 0.00 0.00 54.13 56.27 2o40 s LEU 142 Cb 0.33 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.93 2o40 s LEU 142 CO -0.15 -0.95 1.04 -2.16 0.23 0.00 0.00 176.35 174.36 2o40 s PRO 143 N 1.25 3.32 0.00 1.29 0.05 -1.26 -5.12 135.00 134.54 2o40 s PRO 143 Ca 0.74 0.91 0.00 0.00 0.05 0.00 0.00 61.00 62.71 2o40 s PRO 143 Cb -0.48 -2.04 0.00 0.00 0.05 0.00 0.00 34.50 32.02 2o40 s PRO 143 CO 0.32 -0.79 0.00 0.41 0.05 0.00 0.00 177.00 176.99 2o40 n GLY 144 N -2.09 0.29 0.00 0.56 0.00 -1.26 -5.13 105.19 97.56 2o40 n GLY 144 Ca 0.07 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2o40 n GLY 144 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2o40 n TRP 146 N 0.00 0.00 -4.34 1.61 4.27 -1.26 -5.16 117.44 112.56 2o40 n TRP 146 Ca 0.00 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.39 2o40 n TRP 146 Cb 0.00 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 29.82 2o40 n TRP 146 CO 0.00 0.00 0.00 -1.59 -2.29 0.00 0.00 177.69 173.81 2o40 s LYS 147 N -2.00 1.05 0.53 -2.67 -2.85 -0.69 -4.91 119.74 108.20 2o40 s LYS 147 Ca 0.00 -0.97 -0.21 0.00 -1.00 0.00 0.00 55.97 53.79 2o40 s LYS 147 Cb 0.00 -1.16 -0.05 0.00 -2.06 0.00 0.00 37.83 34.55 2o40 s LYS 147 CO 0.00 0.28 1.26 -1.25 0.10 0.00 0.00 175.35 175.74 2o40 s PRO 148 N -1.54 3.30 0.00 1.78 0.04 -1.26 -0.70 135.00 136.62 2o40 s PRO 148 Ca 0.03 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2o40 s PRO 148 Cb -0.09 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.22 2o40 s PRO 148 CO 0.03 -0.99 0.00 1.17 0.04 0.00 0.00 177.00 177.25 2o40 n LYS 149 N -0.99 0.00 0.00 4.56 4.81 -0.78 -4.85 118.16 120.91 2o40 n LYS 149 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 2o40 n LYS 149 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 2o40 n LYS 149 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2o40 n ILE 151 N 0.00 0.00 -4.33 3.15 -5.35 -0.45 -1.07 119.36 111.31 2o40 n ILE 151 Ca 0.00 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.31 2o40 n ILE 151 Cb 0.00 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 2o40 n ILE 151 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2o40 s GLY 152 N 0.00 1.57 0.00 3.28 0.00 -1.26 -1.08 107.32 109.83 2o40 s GLY 152 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 42.95 2o40 s GLY 152 CO 0.00 -1.66 0.00 0.61 0.00 0.00 0.00 173.10 172.05 2o40 n GLY 153 N -0.42 1.17 3.71 0.20 0.00 -0.50 -4.98 105.19 104.38 2o40 n GLY 153 Ca -0.05 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2o40 n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2o40 s ILE 154 N -0.52 2.46 0.00 -0.61 1.01 -1.26 -1.52 121.20 120.76 2o40 s ILE 154 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.92 2o40 s ILE 154 Cb 0.00 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2o40 s ILE 154 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 2o40 n GLY 155 N 3.91 2.51 0.00 6.18 0.00 -1.26 -1.69 105.19 114.83 2o40 n GLY 155 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2o40 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o40 n GLY 156 N -2.00 0.27 3.51 -0.02 0.00 -0.57 -4.24 105.19 102.13 2o40 n GLY 156 Ca 0.00 -2.04 -0.27 0.00 0.00 0.00 0.00 46.02 43.71 2o40 n GLY 156 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2o40 s PHE 157 N -0.12 2.50 0.14 1.61 0.40 -1.26 -1.41 117.98 119.84 2o40 s PHE 157 Ca 0.00 -0.28 0.07 0.00 -0.60 0.00 0.00 56.93 56.12 2o40 s PHE 157 Cb 0.00 -1.23 -0.04 0.00 0.51 0.00 0.00 43.02 42.26 2o40 s PHE 157 CO 0.00 0.50 -0.16 0.96 0.70 0.00 0.00 175.22 177.22 2o40 s ILE 158 N -1.66 1.55 -0.04 0.64 -4.36 -0.24 -4.85 121.20 112.23 2o40 s ILE 158 Ca 0.23 -1.79 -0.16 0.00 -0.26 0.00 0.00 60.65 58.66 2o40 s ILE 158 Cb -0.09 -1.66 -0.05 0.00 1.25 0.00 0.00 42.46 41.91 2o40 s ILE 158 CO 0.13 -0.36 0.45 -0.75 0.24 0.00 0.00 174.94 174.65 2o40 s LYS 159 N -2.69 4.11 0.18 0.37 2.20 -1.26 -1.34 119.74 121.32 2o40 s LYS 159 Ca 0.12 0.45 -0.00 0.00 -0.36 0.00 0.00 55.97 56.17 2o40 s LYS 159 Cb -0.05 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 2o40 s LYS 159 CO 0.05 0.48 0.08 0.14 -0.36 0.00 0.00 175.35 175.74 2o40 s VAL 160 N -0.43 0.21 -0.20 4.02 -7.23 -0.23 -4.56 120.40 111.97 2o40 s VAL 160 Ca 0.25 -1.97 -0.05 0.00 -1.81 0.00 0.00 61.98 58.40 2o40 s VAL 160 Cb -0.16 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 2o40 s VAL 160 CO 0.13 -0.22 0.00 -0.13 -0.31 0.00 0.00 175.10 174.57 2o40 s ARG 161 N -4.07 3.63 -0.25 4.82 0.52 0.17 -1.87 118.95 121.90 2o40 s ARG 161 Ca 0.32 -0.51 -0.16 0.00 -0.52 0.00 0.00 55.73 54.85 2o40 s ARG 161 Cb 0.07 -3.08 -0.03 0.00 0.52 0.00 0.00 34.95 32.43 2o40 s ARG 161 CO 0.08 0.03 0.43 -1.14 0.02 0.00 0.00 175.30 174.72 2o40 s GLN 162 N 0.95 4.07 -0.05 3.54 0.74 0.12 -0.82 119.66 128.20 2o40 s GLN 162 Ca 0.01 0.17 0.04 0.00 0.05 0.00 0.00 55.36 55.63 2o40 s GLN 162 Cb -0.14 -3.63 -0.02 0.00 1.10 0.00 0.00 33.01 30.31 2o40 s GLN 162 CO 0.02 -0.25 -0.15 0.71 -0.55 0.00 0.00 175.29 175.06 2o40 s TYR 163 N 1.99 2.68 0.24 1.67 1.51 -0.35 -1.71 117.35 123.39 2o40 s TYR 163 Ca 0.18 -0.24 0.06 0.00 -1.01 0.00 0.00 57.07 56.07 2o40 s TYR 163 Cb -0.16 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.02 2o40 s TYR 163 CO 0.09 0.12 0.21 -0.51 -1.11 0.00 0.00 175.55 174.36 2o40 s ASP 164 N -0.61 5.64 -1.46 2.29 -0.00 -1.26 -0.94 116.67 120.33 2o40 s ASP 164 Ca 0.09 -0.19 -0.11 0.00 -0.00 0.00 0.00 52.55 52.35 2o40 s ASP 164 Cb -0.11 -1.48 0.06 0.00 -0.00 0.00 0.00 42.92 41.39 2o40 s ASP 164 CO 0.01 -0.03 0.97 0.00 -0.00 0.00 0.00 175.17 176.12 2o40 n GLN 165 N -1.11 -5.83 -3.22 8.23 1.13 -1.11 -4.90 117.38 110.58 2o40 n GLN 165 Ca -0.08 0.64 -0.40 0.00 -1.94 0.00 0.00 57.00 55.22 2o40 n GLN 165 Cb 0.57 -5.51 -0.07 0.00 0.11 0.00 0.00 30.24 25.35 2o40 n GLN 165 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2o40 s ILE 166 N -3.37 5.07 0.26 5.09 -1.09 -0.23 -4.73 121.20 122.20 2o40 s ILE 166 Ca 0.53 0.95 -0.29 0.00 -2.23 0.00 0.00 60.65 59.61 2o40 s ILE 166 Cb -0.26 -3.85 -0.09 0.00 -1.58 0.00 0.00 42.46 36.67 2o40 s ILE 166 CO 0.81 0.11 1.27 -2.16 -1.23 0.00 0.00 174.94 173.73 2o40 s PRO 167 N 2.11 4.43 -0.18 2.79 0.05 -1.26 -1.70 135.00 141.23 2o40 s PRO 167 Ca 0.23 2.06 -0.04 0.00 0.05 0.00 0.00 61.00 63.30 2o40 s PRO 167 Cb -0.16 -3.15 0.08 0.00 0.05 0.00 0.00 34.50 31.33 2o40 s PRO 167 CO 0.09 -0.14 0.22 0.08 0.05 0.00 0.00 177.00 177.30 2o40 s VAL 168 N -0.59 -0.32 -0.08 -0.36 1.01 -0.12 -4.43 120.40 115.51 2o40 s VAL 168 Ca 0.51 -0.03 -0.22 0.00 0.00 0.00 0.00 61.98 62.25 2o40 s VAL 168 Cb -0.37 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2o40 s VAL 168 CO 0.44 -0.14 0.62 -0.70 0.00 0.00 0.00 175.10 175.32 2o40 s GLU 169 N 2.33 4.40 -0.18 2.72 2.12 -0.37 -2.04 118.70 127.69 2o40 s GLU 169 Ca 0.06 0.73 0.13 0.00 0.36 0.00 0.00 54.97 56.25 2o40 s GLU 169 Cb -0.15 -3.44 0.42 0.00 0.26 0.00 0.00 34.13 31.22 2o40 s GLU 169 CO -0.11 0.10 1.21 -0.89 -0.54 0.00 0.00 175.26 175.03 2o40 n ILE 170 N 3.72 1.88 0.00 -3.70 5.41 -1.26 -0.13 119.36 125.27 2o40 n ILE 170 Ca -0.03 -2.90 0.00 0.00 1.00 0.00 0.00 62.75 60.82 2o40 n ILE 170 Cb 0.51 -0.06 0.00 0.00 -0.71 0.00 0.00 39.64 39.38 2o40 n ILE 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2o40 n GLY 172 N -0.90 0.00 3.71 7.39 0.00 -1.26 -4.75 105.19 109.38 2o40 n GLY 172 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2o40 n GLY 172 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o40 s HIS 173 N 0.00 3.43 0.25 1.61 4.02 -1.26 -5.08 115.29 118.27 2o40 s HIS 173 Ca 0.00 0.62 -0.28 0.00 1.02 0.00 0.00 55.06 56.41 2o40 s HIS 173 Cb 0.00 -2.42 -0.09 0.00 -1.02 0.00 0.00 32.58 29.05 2o40 s HIS 173 CO 0.00 0.14 0.92 0.15 1.02 0.00 0.00 174.74 176.97 2o40 s LYS 174 N 0.78 4.76 0.15 1.40 1.02 -1.26 -4.30 119.74 122.28 2o40 s LYS 174 Ca 0.18 1.41 -0.08 0.00 0.02 0.00 0.00 55.97 57.49 2o40 s LYS 174 Cb -0.14 -3.17 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 2o40 s LYS 174 CO 0.06 0.47 0.25 0.00 -0.92 0.00 0.00 175.35 175.21 2o40 s ALA 175 N -1.28 0.01 -0.19 5.17 0.00 -0.86 -4.75 121.76 119.86 2o40 s ALA 175 Ca 0.42 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 51.42 2o40 s ALA 175 Cb -0.24 0.79 0.07 0.00 0.00 0.00 0.00 23.12 23.74 2o40 s ALA 175 CO 0.29 -0.61 0.45 -1.50 0.00 0.00 0.00 175.76 174.40 2o40 s ILE 176 N -3.95 -0.19 -1.17 0.00 2.07 -1.26 -0.95 121.20 115.75 2o40 s ILE 176 Ca 0.15 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.49 2o40 s ILE 176 Cb 0.04 -0.68 0.00 0.00 0.13 0.00 0.00 42.46 41.95 2o40 s ILE 176 CO -0.02 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 2o40 n GLY 177 N 4.55 -0.58 3.72 1.50 0.00 -0.69 -4.87 105.19 108.83 2o40 n GLY 177 Ca -0.19 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 2o40 n GLY 177 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2o40 s THR 178 N -3.20 4.64 -0.06 2.61 2.01 -1.26 -1.06 115.64 119.32 2o40 s THR 178 Ca 0.00 2.05 0.03 0.00 0.31 0.00 0.00 61.69 64.08 2o40 s THR 178 Cb 0.00 -4.32 0.01 0.00 0.01 0.00 0.00 72.50 68.20 2o40 s THR 178 CO 0.00 0.26 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.36 2o40 s VAL 179 N 0.36 1.25 -0.19 3.82 1.01 -0.12 -4.46 120.40 122.07 2o40 s VAL 179 Ca 0.48 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 2o40 s VAL 179 Cb -0.22 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 2o40 s VAL 179 CO 0.29 0.38 0.09 -0.76 0.00 0.00 0.00 175.10 175.10 2o40 s LEU 180 N 0.46 4.00 -0.12 3.92 1.43 -0.20 -1.21 118.68 126.97 2o40 s LEU 180 Ca -0.12 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 2o40 s LEU 180 Cb -0.14 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 2o40 s LEU 180 CO 0.04 0.18 -0.16 -0.69 0.23 0.00 0.00 176.35 175.94 2o40 s VAL 181 N 0.36 2.75 -0.10 -1.59 1.01 -0.00 -0.01 120.40 122.82 2o40 s VAL 181 Ca 0.05 -0.77 -0.31 0.00 0.00 0.00 0.00 61.98 60.95 2o40 s VAL 181 Cb -0.12 -2.12 0.11 0.00 0.00 0.00 0.00 36.38 34.24 2o40 s VAL 181 CO -0.01 0.54 1.38 -0.83 0.00 0.00 0.00 175.10 176.18 2o40 s GLY 182 N 0.27 -0.25 -1.27 4.51 0.00 -0.89 -0.65 107.32 109.03 2o40 s GLY 182 Ca -0.12 0.25 -0.19 0.00 0.00 0.00 0.00 44.72 44.66 2o40 s GLY 182 CO 0.06 6.29 1.80 -1.55 0.00 0.00 0.00 173.10 179.71 2o40 n PRO 183 N -0.94 2.79 -3.95 2.90 -0.04 -1.26 -3.13 135.00 131.37 2o40 n PRO 183 Ca 0.05 -3.05 -0.34 0.00 -0.04 0.00 0.00 63.50 60.12 2o40 n PRO 183 Cb 0.59 -3.54 -0.06 0.00 -0.04 0.00 0.00 33.50 30.45 2o40 n PRO 183 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2o40 s THR 184 N 5.85 5.29 0.39 0.52 -1.32 -1.26 -5.00 115.64 120.10 2o40 s THR 184 Ca 0.57 -0.13 0.33 0.00 -1.21 0.00 0.00 61.69 61.25 2o40 s THR 184 Cb 0.03 -3.42 0.35 0.00 -1.51 0.00 0.00 72.50 67.95 2o40 s THR 184 CO 0.09 0.40 2.11 1.55 -2.21 0.00 0.00 174.62 176.56 2o40 h PRO 185 N 4.15 0.00 -3.24 7.08 0.13 -1.92 -3.44 132.00 134.76 2o40 h PRO 185 Ca -0.50 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.45 2o40 h PRO 185 Cb 1.20 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.06 2o40 h PRO 185 CO 0.65 0.07 -0.49 0.08 -0.23 0.00 0.00 178.00 178.08 2o40 s VAL 186 N -4.04 -0.00 0.20 1.56 1.01 -1.26 -5.12 120.40 112.74 2o40 s VAL 186 Ca -0.02 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 2o40 s VAL 186 Cb 0.12 -0.29 -0.08 0.00 0.00 0.00 0.00 36.38 36.13 2o40 s VAL 186 CO 0.54 0.01 1.24 0.20 0.00 0.00 0.00 175.10 177.08 2o40 s ASN 187 N 0.22 7.01 -0.10 3.32 0.01 -1.26 -4.84 114.94 119.30 2o40 s ASN 187 Ca -0.01 2.31 0.02 0.00 -0.71 0.00 0.00 52.86 54.47 2o40 s ASN 187 Cb -0.02 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 39.04 2o40 s ASN 187 CO -0.01 -0.43 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.35 2o40 s ILE 188 N -0.06 1.62 -0.27 0.60 1.01 0.37 -0.28 121.20 124.19 2o40 s ILE 188 Ca 0.54 -0.74 -0.12 0.00 0.00 0.00 0.00 60.65 60.33 2o40 s ILE 188 Cb -0.34 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 2o40 s ILE 188 CO 0.38 0.46 0.24 -0.63 0.00 0.00 0.00 174.94 175.39 2o40 s ILE 189 N 0.76 5.28 0.33 2.92 -1.09 0.24 -0.99 121.20 128.64 2o40 s ILE 189 Ca -0.11 0.29 0.04 0.00 -2.23 0.00 0.00 60.65 58.64 2o40 s ILE 189 Cb -0.16 -3.58 0.04 0.00 -1.58 0.00 0.00 42.46 37.19 2o40 s ILE 189 CO 0.02 0.24 0.37 0.61 -1.23 0.00 0.00 174.94 174.94 2o40 n GLY 190 N 4.83 2.34 0.24 6.18 0.00 -1.21 -1.21 105.19 116.37 2o40 n GLY 190 Ca -0.13 -2.21 0.06 0.00 0.00 0.00 0.00 46.02 43.75 2o40 n GLY 190 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2o40 h ARG 191 N 0.00 0.03 -0.57 1.61 3.08 -0.82 -1.55 114.38 116.16 2o40 h ARG 191 Ca -0.18 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.95 2o40 h ARG 191 Cb 0.73 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 2o40 h ARG 191 CO 0.26 0.12 0.38 -2.95 -1.07 0.00 0.00 179.97 176.71 2o40 h ASN 192 N 0.03 0.39 0.00 7.04 -1.07 -1.76 -1.81 115.58 118.40 2o40 h ASN 192 Ca 0.01 0.01 -0.37 0.00 0.07 0.00 0.00 56.30 56.01 2o40 h ASN 192 Cb 0.18 -0.08 -0.07 0.00 -2.07 0.00 0.00 38.32 36.28 2o40 h ASN 192 CO 0.01 0.24 -2.41 0.18 0.07 0.00 0.00 177.43 175.52 2o40 n LEU 193 N -4.47 0.69 -0.21 6.14 4.77 -0.84 -4.36 117.00 118.73 2o40 n LEU 193 Ca 0.09 -0.03 0.05 0.00 -0.03 0.00 0.00 56.01 56.08 2o40 n LEU 193 Cb 0.31 0.17 0.31 0.00 -2.33 0.00 0.00 43.42 41.89 2o40 n LEU 193 CO 0.34 0.60 1.23 -0.07 -1.33 0.00 0.00 177.39 178.16 2o40 h LEU 194 N 0.00 0.75 -1.11 2.23 3.38 -1.10 -1.09 115.31 118.37 2o40 h LEU 194 Ca -0.56 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.35 2o40 h LEU 194 Cb 2.17 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.74 2o40 h LEU 194 CO 0.00 0.50 -0.05 0.71 0.09 0.00 0.00 178.44 179.69 2o40 h THR 195 N 0.86 1.22 0.00 0.22 1.35 -1.55 -2.65 112.91 112.35 2o40 h THR 195 Ca 0.31 -0.93 -0.05 0.00 -0.55 0.00 0.00 66.41 65.20 2o40 h THR 195 Cb 0.15 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 67.58 2o40 h THR 195 CO -0.10 0.31 -0.22 1.56 -0.25 0.00 0.00 175.52 176.83 2o40 h GLN 196 N 0.53 0.00 -0.61 4.72 4.20 -1.40 -2.29 115.11 120.26 2o40 h GLN 196 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2o40 h GLN 196 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2o40 h GLN 196 CO 0.02 0.22 0.00 0.44 -0.67 0.00 0.00 178.83 178.84 2o40 n ILE 197 N -3.57 0.80 -1.32 2.54 -5.35 -1.05 -4.94 119.36 106.47 2o40 n ILE 197 Ca -0.01 -0.89 -0.00 0.00 -0.27 0.00 0.00 62.75 61.58 2o40 n ILE 197 Cb 0.36 0.65 -0.00 0.00 -1.74 0.00 0.00 39.64 38.91 2o40 n ILE 197 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2o40 n GLY 198 N 1.60 -3.52 0.00 3.28 0.00 -0.86 -4.83 105.19 100.86 2o40 n GLY 198 Ca 0.23 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2o40 n GLY 198 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2o40 n THR 200 N 0.43 0.00 -3.43 2.61 -2.24 0.12 -2.58 114.28 109.19 2o40 n THR 200 Ca -0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 2o40 n THR 200 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 2o40 n THR 200 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2o40 s LEU 201 N 0.00 4.47 -0.02 3.22 1.43 -0.31 -0.86 118.68 126.61 2o40 s LEU 201 Ca 0.00 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 2o40 s LEU 201 Cb 0.00 -2.76 0.02 0.00 0.03 0.00 0.00 46.19 43.48 2o40 s LEU 201 CO 0.00 0.28 0.00 0.20 0.23 0.00 0.00 176.35 177.06 2o40 s ASN 202 N -1.19 0.28 0.00 2.29 -0.87 -0.61 -0.35 114.94 114.49 2o40 s ASN 202 Ca 0.27 -0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.55 2o40 s ASN 202 Cb -0.17 -0.13 0.00 0.00 -0.02 0.00 0.00 41.25 40.93 2o40 s ASN 202 CO 0.16 -0.07 0.00 2.22 -2.57 0.00 0.00 177.10 176.84