#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s40 n MET 6 N 0.00 -2.07 -0.95 1.97 0.00 -1.26 -4.94 117.12 109.87 1s40 n MET 6 Ca 0.00 1.71 -0.06 0.00 0.00 0.00 0.00 57.70 59.35 1s40 n MET 6 Cb 0.00 -3.48 -0.06 0.00 0.00 0.00 0.00 33.22 29.68 1s40 n MET 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1s40 n ALA 7 N -0.07 3.55 -2.33 -5.12 0.00 -1.26 -5.13 120.51 110.15 1s40 n ALA 7 Ca -0.00 -0.63 -0.32 0.00 0.00 0.00 0.00 53.44 52.50 1s40 n ALA 7 Cb 0.55 -0.30 -0.05 0.00 0.00 0.00 0.00 19.45 19.65 1s40 n ALA 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1s40 s ARG 8 N 0.00 3.85 0.00 0.00 1.81 -1.26 -5.09 118.95 118.25 1s40 s ARG 8 Ca 0.00 0.38 0.00 0.00 -1.72 0.00 0.00 55.73 54.40 1s40 s ARG 8 Cb 0.00 -2.57 0.00 0.00 -0.45 0.00 0.00 34.95 31.94 1s40 s ARG 8 CO -0.00 0.24 0.00 1.63 -0.68 0.00 0.00 175.30 176.49 1s40 n LYS 9 N -0.34 1.60 -3.35 3.54 5.02 -1.26 -5.11 118.16 118.27 1s40 n LYS 9 Ca 0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.29 1s40 n LYS 9 Cb 0.53 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.49 1s40 n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1s40 s ASP 10 N -1.00 -0.79 0.98 4.39 1.01 -1.26 -4.98 116.67 115.02 1s40 s ASP 10 Ca 0.00 0.84 0.00 0.00 0.71 0.00 0.00 52.55 54.10 1s40 s ASP 10 Cb 0.00 1.82 0.00 0.00 1.01 0.00 0.00 42.92 45.75 1s40 s ASP 10 CO 0.00 -0.26 0.00 -0.81 0.21 0.00 0.00 175.17 174.31 1s40 n PRO 11 N 5.41 -0.45 -3.82 8.23 -0.04 -1.26 -4.84 135.00 138.22 1s40 n PRO 11 Ca -0.04 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.06 1s40 n PRO 11 Cb 0.50 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.86 1s40 n PRO 11 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1s40 s THR 12 N -0.98 4.81 0.00 0.52 2.01 -1.26 -3.87 115.64 116.88 1s40 s THR 12 Ca 0.00 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.99 1s40 s THR 12 Cb 0.00 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.28 1s40 s THR 12 CO 0.00 0.37 0.00 2.30 -0.69 0.00 0.00 174.62 176.60 1s40 n ILE 13 N 4.29 0.00 -1.52 1.82 -6.64 -1.20 -4.95 119.36 111.16 1s40 n ILE 13 Ca -0.16 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.82 1s40 n ILE 13 Cb 0.52 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.72 1s40 n ILE 13 CO 0.00 0.00 0.00 1.21 -1.77 0.00 0.00 176.55 175.99 1s40 n GLU 14 N 0.00 -1.99 -0.52 6.28 2.13 -1.26 -4.49 120.64 120.79 1s40 n GLU 14 Ca 0.00 0.00 0.43 0.00 0.66 0.00 0.00 57.16 58.25 1s40 n GLU 14 Cb 0.00 0.00 0.65 0.00 0.27 0.00 0.00 31.44 32.36 1s40 n GLU 14 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1s40 n PHE 15 N 0.01 0.00 -0.03 4.31 3.01 -1.26 0.20 117.46 123.70 1s40 n PHE 15 Ca 0.00 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.52 1s40 n PHE 15 Cb 0.00 -0.39 -0.16 0.00 -0.01 0.00 0.00 39.48 38.91 1s40 n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1s40 n GLN 17 N -2.36 2.89 0.00 0.00 1.13 0.55 -4.88 117.38 114.71 1s40 n GLN 17 Ca -0.11 -2.38 0.00 0.00 -1.94 0.00 0.00 57.00 52.58 1s40 n GLN 17 Cb 0.70 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.59 1s40 n GLN 17 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1s40 n LEU 18 N 0.95 0.00 0.00 1.08 7.99 0.14 -4.26 117.00 122.90 1s40 n LEU 18 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.18 1s40 n LEU 18 Cb 0.55 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.86 1s40 n LEU 18 CO 0.13 -0.16 0.00 0.61 -1.51 0.00 0.00 177.39 176.46 1s40 n GLY 19 N 0.00 -0.54 1.53 -0.72 0.00 -1.26 -4.94 105.19 99.26 1s40 n GLY 19 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1s40 n GLY 19 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s40 n LEU 20 N 0.00 0.00 0.00 0.99 0.00 -1.26 -5.02 117.00 111.71 1s40 n LEU 20 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 56.01 55.77 1s40 n LEU 20 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 43.42 43.03 1s40 n LEU 20 CO 0.00 -1.87 0.00 0.47 0.00 0.00 0.00 177.39 175.99 1s40 n ASP 21 N -1.60 0.00 0.00 1.96 9.92 -1.26 -5.09 116.55 120.49 1s40 n ASP 21 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1s40 n ASP 21 Cb 0.16 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 1s40 n ASP 21 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1s40 n THR 22 N -0.16 0.00 1.19 -3.53 -1.04 -1.26 -4.87 114.28 104.61 1s40 n THR 22 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 1s40 n THR 22 Cb 0.00 0.00 0.61 0.00 -1.82 0.00 0.00 70.33 69.12 1s40 n THR 22 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1s40 n PHE 23 N -0.39 0.00 -0.00 -1.42 7.35 -1.26 -3.63 117.46 118.11 1s40 n PHE 23 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1s40 n PHE 23 Cb 0.00 -0.20 0.00 0.00 0.35 0.00 0.00 39.48 39.63 1s40 n PHE 23 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1s40 n GLU 24 N -1.20 0.98 0.00 -4.13 4.71 -1.26 -4.87 120.64 114.88 1s40 n GLU 24 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 1s40 n GLU 24 Cb 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.58 1s40 n GLU 24 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1s40 n THR 25 N -0.76 0.00 -2.66 2.62 -1.04 -1.26 -4.37 114.28 106.81 1s40 n THR 25 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1s40 n THR 25 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1s40 n THR 25 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1s40 n LYS 26 N -0.48 0.00 -4.07 -2.82 5.02 -1.06 -4.89 118.16 109.86 1s40 n LYS 26 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1s40 n LYS 26 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.84 1s40 n LYS 26 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1s40 s TYR 27 N -6.58 1.89 0.06 2.13 2.02 -1.26 -2.30 117.35 113.30 1s40 s TYR 27 Ca 0.00 -0.99 -0.11 0.00 -0.37 0.00 0.00 57.07 55.60 1s40 s TYR 27 Cb 0.00 -1.43 0.01 0.00 -0.40 0.00 0.00 41.96 40.14 1s40 s TYR 27 CO 0.00 -0.57 0.24 0.96 -1.57 0.00 0.00 175.55 174.61 1s40 s ILE 28 N 1.45 0.10 -0.19 2.71 -4.36 -0.89 -4.69 121.20 115.33 1s40 s ILE 28 Ca 0.02 -0.86 -0.09 0.00 -0.26 0.00 0.00 60.65 59.46 1s40 s ILE 28 Cb -0.13 -1.03 -0.05 0.00 1.25 0.00 0.00 42.46 42.50 1s40 s ILE 28 CO -0.08 -0.48 0.11 -0.89 0.24 0.00 0.00 174.94 173.85 1s40 s THR 29 N -2.91 5.26 -0.12 8.37 2.01 -1.25 0.10 115.64 127.10 1s40 s THR 29 Ca -0.02 0.13 -0.03 0.00 0.31 0.00 0.00 61.69 62.08 1s40 s THR 29 Cb 0.00 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 1s40 s THR 29 CO -0.06 0.46 0.01 -0.04 -0.69 0.00 0.00 174.62 174.30 1s40 s MET 30 N 0.28 3.33 -0.06 4.92 -1.94 0.56 -3.27 119.30 123.12 1s40 s MET 30 Ca 0.07 -0.41 0.04 0.00 -1.71 0.00 0.00 55.69 53.68 1s40 s MET 30 Cb -0.11 -2.91 0.00 0.00 2.01 0.00 0.00 34.83 33.82 1s40 s MET 30 CO -0.01 0.53 -0.17 -0.06 -0.01 0.00 0.00 175.02 175.29 1s40 s PHE 31 N -0.38 1.79 0.00 -0.03 0.08 -1.26 -1.54 117.98 116.64 1s40 s PHE 31 Ca 0.08 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.53 1s40 s PHE 31 Cb -0.12 -1.23 0.00 0.00 -0.57 0.00 0.00 43.02 41.10 1s40 s PHE 31 CO 0.02 -0.24 0.00 0.41 -0.10 0.00 0.00 175.22 175.31 1s40 n GLY 32 N 3.39 -0.08 3.86 4.36 0.00 -1.25 -4.69 105.19 110.78 1s40 n GLY 32 Ca -0.20 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 1s40 n GLY 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1s40 s MET 33 N -2.00 3.88 0.16 1.61 1.75 0.48 -2.36 119.30 122.82 1s40 s MET 33 Ca 0.00 0.37 -0.26 0.00 -1.25 0.00 0.00 55.69 54.55 1s40 s MET 33 Cb 0.00 -2.75 -0.08 0.00 2.84 0.00 0.00 34.83 34.84 1s40 s MET 33 CO 0.00 0.38 0.82 -1.17 -0.65 0.00 0.00 175.02 174.40 1s40 s LEU 34 N -2.48 4.58 -0.10 4.11 2.96 -1.23 0.27 118.68 126.79 1s40 s LEU 34 Ca 0.44 1.69 0.05 0.00 -0.22 0.00 0.00 54.13 56.08 1s40 s LEU 34 Cb -0.13 -3.37 -0.10 0.00 0.50 0.00 0.00 46.19 43.10 1s40 s LEU 34 CO 0.20 0.15 -0.03 0.52 -1.32 0.00 0.00 176.35 175.88 1s40 n VAL 35 N 1.84 0.64 -3.94 1.68 0.31 0.54 -4.30 118.33 115.09 1s40 n VAL 35 Ca -0.04 -0.33 -0.10 0.00 -0.01 0.00 0.00 64.34 63.86 1s40 n VAL 35 Cb 0.49 -0.83 -0.02 0.00 -0.91 0.00 0.00 33.84 32.57 1s40 n VAL 35 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1s40 s SER 36 N -4.56 0.22 -0.27 4.52 1.04 -1.19 -3.38 113.70 110.08 1s40 s SER 36 Ca -0.09 -1.13 -0.22 0.00 0.48 0.00 0.00 55.95 54.99 1s40 s SER 36 Cb 0.03 0.72 0.08 0.00 0.10 0.00 0.00 66.02 66.95 1s40 s SER 36 CO 0.33 -1.40 0.74 0.00 0.98 0.00 0.00 173.24 173.88 1s40 s SER 38 N 0.79 5.03 0.14 0.00 0.15 0.28 -4.90 113.70 115.18 1s40 s SER 38 Ca -0.03 -2.38 -0.03 0.00 0.70 0.00 0.00 55.95 54.21 1s40 s SER 38 Cb -0.05 -1.77 -0.08 0.00 -1.71 0.00 0.00 66.02 62.41 1s40 s SER 38 CO -0.06 -0.43 1.32 2.19 1.20 0.00 0.00 173.24 177.45 1s40 h PHE 39 N 7.51 0.53 -0.90 3.44 -5.15 -1.89 -2.60 116.94 117.89 1s40 h PHE 39 Ca -0.08 -0.29 0.20 0.00 -0.20 0.00 0.00 57.97 57.60 1s40 h PHE 39 Cb 1.00 -0.06 -0.07 0.00 0.22 0.00 0.00 35.95 37.04 1s40 h PHE 39 CO 0.57 1.11 0.59 0.22 -2.00 0.00 0.00 178.31 178.80 1s40 h ASP 40 N 0.20 0.43 -1.04 -0.68 1.82 -1.92 -3.42 116.42 111.82 1s40 h ASP 40 Ca -0.07 0.04 -0.82 0.00 -0.39 0.00 0.00 57.03 55.79 1s40 h ASP 40 Cb 1.57 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.54 1s40 h ASP 40 CO 0.16 0.18 0.86 0.29 -1.61 0.00 0.00 179.24 179.11 1s40 n LYS 41 N -4.52 0.37 0.13 0.28 4.76 -1.22 -4.77 118.16 113.19 1s40 n LYS 41 Ca 0.19 0.13 0.12 0.00 -2.87 0.00 0.00 58.31 55.88 1s40 n LYS 41 Cb 0.68 -1.71 0.48 0.00 -1.84 0.00 0.00 35.03 32.64 1s40 n LYS 41 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1s40 n PRO 42 N 4.98 0.19 0.00 1.97 -0.04 -1.26 -2.88 135.00 137.97 1s40 n PRO 42 Ca 0.33 0.40 0.07 0.00 -0.04 0.00 0.00 63.50 64.27 1s40 n PRO 42 Cb 0.01 -1.86 -0.02 0.00 -0.04 0.00 0.00 33.50 31.59 1s40 n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s40 n ALA 43 N -1.77 3.27 0.00 0.55 0.00 -1.26 -5.04 120.51 116.26 1s40 n ALA 43 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1s40 n ALA 43 Cb 0.24 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1s40 n ALA 43 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1s40 n PHE 44 N -0.36 0.00 -3.90 0.00 1.16 -1.14 -4.72 117.46 108.50 1s40 n PHE 44 Ca 0.06 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.31 1s40 n PHE 44 Cb 0.30 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.04 1s40 n PHE 44 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1s40 s ILE 45 N -3.00 2.80 -0.52 1.97 -1.09 -1.25 -4.03 121.20 116.07 1s40 s ILE 45 Ca 0.00 -2.43 -0.31 0.00 -2.23 0.00 0.00 60.65 55.68 1s40 s ILE 45 Cb 0.00 -2.97 -0.12 0.00 -1.58 0.00 0.00 42.46 37.80 1s40 s ILE 45 CO 0.00 -0.68 2.38 -0.24 -1.23 0.00 0.00 174.94 175.16 1s40 n SER 46 N 4.15 1.88 -4.53 3.58 2.88 -0.98 -4.45 113.62 116.14 1s40 n SER 46 Ca 0.02 0.04 -0.34 0.00 -1.33 0.00 0.00 58.87 57.26 1s40 n SER 46 Cb 0.40 -1.32 -0.12 0.00 -0.75 0.00 0.00 64.21 62.42 1s40 n SER 46 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1s40 s PHE 47 N 9.40 2.95 -0.18 0.66 0.08 -0.15 -0.56 117.98 130.19 1s40 s PHE 47 Ca 1.11 -0.15 -0.01 0.00 0.12 0.00 0.00 56.93 58.00 1s40 s PHE 47 Cb -0.68 -1.80 0.05 0.00 -0.57 0.00 0.00 43.02 40.02 1s40 s PHE 47 CO 0.40 0.16 -0.03 0.08 -0.10 0.00 0.00 175.22 175.73 1s40 s VAL 48 N -0.31 1.03 0.61 -0.44 1.01 -1.17 -0.04 120.40 121.09 1s40 s VAL 48 Ca 0.04 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.44 1s40 s VAL 48 Cb -0.13 -1.28 0.10 0.00 0.00 0.00 0.00 36.38 35.07 1s40 s VAL 48 CO 0.02 0.04 0.84 -0.36 0.00 0.00 0.00 175.10 175.65 1s40 s PHE 49 N 1.65 1.21 0.08 5.22 0.08 -0.93 -0.34 117.98 124.94 1s40 s PHE 49 Ca -0.00 -0.74 -0.09 0.00 0.12 0.00 0.00 56.93 56.22 1s40 s PHE 49 Cb -0.16 -2.26 0.00 0.00 -0.57 0.00 0.00 43.02 40.03 1s40 s PHE 49 CO -0.07 -1.32 0.19 -1.54 -0.10 0.00 0.00 175.22 172.38 1s40 s SER 50 N -4.72 0.10 0.00 1.36 1.04 0.76 -2.52 113.70 109.71 1s40 s SER 50 Ca 0.63 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1s40 s SER 50 Cb -0.05 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1s40 s SER 50 CO 0.40 -0.69 0.35 -0.67 0.98 0.00 0.00 173.24 173.62 1s40 n ASP 51 N 0.13 -0.34 -4.12 7.02 2.03 -1.26 0.18 116.55 120.18 1s40 n ASP 51 Ca -0.16 -0.71 -0.29 0.00 0.52 0.00 0.00 54.79 54.15 1s40 n ASP 51 Cb 0.62 0.10 -0.05 0.00 -0.72 0.00 0.00 41.12 41.07 1s40 n ASP 51 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1s40 n PHE 52 N 0.00 -1.53 -3.46 -0.67 7.35 -1.26 -4.94 117.46 112.95 1s40 n PHE 52 Ca -0.10 0.71 -0.22 0.00 -0.76 0.00 0.00 57.45 57.08 1s40 n PHE 52 Cb 0.40 -3.28 0.01 0.00 0.35 0.00 0.00 39.48 36.97 1s40 n PHE 52 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1s40 s THR 53 N -3.97 2.10 -0.23 -2.13 -4.23 -1.26 -5.10 115.64 100.82 1s40 s THR 53 Ca 0.14 -1.26 0.02 0.00 -1.18 0.00 0.00 61.69 59.41 1s40 s THR 53 Cb -0.08 -2.36 0.05 0.00 1.34 0.00 0.00 72.50 71.46 1s40 s THR 53 CO 0.93 0.00 -0.10 -0.54 -0.54 0.00 0.00 174.62 174.37 1s40 s LYS 54 N -4.40 2.07 0.44 3.99 -0.14 -1.26 -4.25 119.74 116.20 1s40 s LYS 54 Ca 0.48 -1.08 -0.23 0.00 -1.36 0.00 0.00 55.97 53.79 1s40 s LYS 54 Cb -0.04 -2.66 -0.11 0.00 -1.68 0.00 0.00 37.83 33.34 1s40 s LYS 54 CO 0.30 -0.51 0.70 -1.71 -0.76 0.00 0.00 175.35 173.36 1s40 n ASN 55 N 4.58 -0.19 0.00 2.83 2.85 0.19 -1.95 115.26 123.56 1s40 n ASN 55 Ca -0.14 0.93 0.00 0.00 -0.11 0.00 0.00 54.58 55.26 1s40 n ASN 55 Cb 0.44 -1.20 0.00 0.00 1.24 0.00 0.00 39.78 40.27 1s40 n ASN 55 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1s40 n ASP 56 N 0.91 4.94 0.00 1.20 -0.08 0.29 -4.79 116.55 119.02 1s40 n ASP 56 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1s40 n ASP 56 Cb 0.40 0.72 0.00 0.00 2.34 0.00 0.00 41.12 44.58 1s40 n ASP 56 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1s40 n ILE 57 N -1.76 0.00 0.10 5.18 2.08 -1.26 -4.99 119.36 118.71 1s40 n ILE 57 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1s40 n ILE 57 Cb 0.27 -0.12 0.00 0.00 -0.75 0.00 0.00 39.64 39.04 1s40 n ILE 57 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1s40 n VAL 58 N 0.00 0.00 -2.64 1.39 0.31 -1.26 -5.01 118.33 111.13 1s40 n VAL 58 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 1s40 n VAL 58 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 1s40 n VAL 58 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1s40 n GLN 59 N -2.96 -0.39 0.00 5.55 7.27 -1.26 -4.85 117.38 120.75 1s40 n GLN 59 Ca 0.00 0.25 0.00 0.00 0.07 0.00 0.00 57.00 57.32 1s40 n GLN 59 Cb 0.00 -0.47 0.00 0.00 2.41 0.00 0.00 30.24 32.18 1s40 n GLN 59 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1s40 n ASN 60 N -3.59 0.00 -4.77 1.69 2.85 -1.26 -4.73 115.26 105.45 1s40 n ASN 60 Ca 0.00 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.08 1s40 n ASN 60 Cb 0.09 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.05 1s40 n ASN 60 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1s40 s TYR 61 N 2.99 3.85 -0.18 1.20 5.04 -1.26 -4.92 117.35 124.07 1s40 s TYR 61 Ca 0.00 1.58 -0.22 0.00 -2.44 0.00 0.00 57.07 55.99 1s40 s TYR 61 Cb 0.00 -2.78 -0.22 0.00 0.35 0.00 0.00 41.96 39.31 1s40 s TYR 61 CO 0.00 0.44 0.39 -0.07 -1.34 0.00 0.00 175.55 174.96 1s40 h LEU 62 N 4.78 0.06 0.00 6.97 3.38 -1.93 -3.47 115.31 125.10 1s40 h LEU 62 Ca -0.46 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 56.83 1s40 h LEU 62 Cb 1.21 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1s40 h LEU 62 CO 0.68 1.41 0.00 0.00 0.09 0.00 0.00 178.44 180.61 1s40 n TYR 63 N -4.38 0.00 0.00 1.13 4.19 -1.26 -4.85 117.16 111.99 1s40 n TYR 63 Ca -0.26 0.00 0.00 0.00 3.31 0.00 0.00 57.90 60.95 1s40 n TYR 63 Cb 0.67 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.50 1s40 n TYR 63 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 1s40 n ASP 64 N 0.43 0.00 -0.69 2.98 5.68 -1.26 0.04 116.55 123.74 1s40 n ASP 64 Ca 0.00 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.38 1s40 n ASP 64 Cb 0.00 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.27 1s40 n ASP 64 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1s40 n ARG 65 N 12.78 1.89 -4.30 0.11 5.12 -1.25 -4.92 116.66 126.08 1s40 n ARG 65 Ca 0.00 -1.35 -0.31 0.00 -1.93 0.00 0.00 57.85 54.26 1s40 n ARG 65 Cb 0.00 -1.38 -0.09 0.00 -1.16 0.00 0.00 32.46 29.82 1s40 n ARG 65 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1s40 n TYR 66 N 0.57 -1.28 -0.98 -1.55 4.01 0.11 -4.44 117.16 113.60 1s40 n TYR 66 Ca 0.16 0.62 0.12 0.00 -0.16 0.00 0.00 57.90 58.64 1s40 n TYR 66 Cb 0.37 -2.84 -0.06 0.00 -0.31 0.00 0.00 39.34 36.50 1s40 n TYR 66 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1s40 n LEU 67 N -4.57 -0.65 0.18 7.72 4.32 -1.26 -4.66 117.00 118.08 1s40 n LEU 67 Ca -0.32 1.52 -0.07 0.00 -0.02 0.00 0.00 56.01 57.11 1s40 n LEU 67 Cb 0.69 -2.56 -0.04 0.00 -1.62 0.00 0.00 43.42 39.89 1s40 n LEU 67 CO 0.85 -1.72 0.51 0.40 -1.22 0.00 0.00 177.39 176.21 1s40 h ILE 68 N -0.95 0.00 -2.81 -0.08 2.04 -1.89 -3.41 117.51 110.41 1s40 h ILE 68 Ca -0.10 0.00 -0.52 0.00 1.00 0.00 0.00 64.86 65.24 1s40 h ILE 68 Cb 0.93 0.00 0.05 0.00 -0.74 0.00 0.00 36.82 37.06 1s40 h ILE 68 CO 0.04 0.00 0.91 -1.81 0.00 0.00 0.00 178.15 177.29 1s40 s ASP 69 N -2.75 6.53 -0.08 1.72 1.01 -1.26 -4.87 116.67 116.97 1s40 s ASP 69 Ca -0.07 2.69 0.10 0.00 0.71 0.00 0.00 52.55 55.98 1s40 s ASP 69 Cb 0.01 -2.60 0.43 0.00 1.01 0.00 0.00 42.92 41.77 1s40 s ASP 69 CO 0.21 -0.86 1.26 -1.22 0.21 0.00 0.00 175.17 174.77 1s40 n TYR 70 N 3.90 0.93 -0.05 4.23 4.02 -1.26 -4.16 117.16 124.77 1s40 n TYR 70 Ca 0.14 -0.36 -0.09 0.00 -0.01 0.00 0.00 57.90 57.58 1s40 n TYR 70 Cb 0.38 -0.20 -0.08 0.00 -0.02 0.00 0.00 39.34 39.42 1s40 n TYR 70 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1s40 h GLU 71 N 2.37 -0.02 -6.11 -0.72 5.08 -1.92 -3.46 114.58 109.81 1s40 h GLU 71 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 1s40 h GLU 71 Cb 1.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1s40 h GLU 71 CO 0.16 0.60 -0.47 -0.80 -1.00 0.00 0.00 179.01 177.51 1s40 s ASN 72 N -5.93 6.22 -0.28 1.42 -0.87 -1.26 -5.09 114.94 109.14 1s40 s ASN 72 Ca -0.12 0.09 -0.03 0.00 -1.57 0.00 0.00 52.86 51.23 1s40 s ASN 72 Cb -0.02 -1.83 0.09 0.00 -0.02 0.00 0.00 41.25 39.48 1s40 s ASN 72 CO 0.44 0.02 0.11 -1.59 -2.57 0.00 0.00 177.10 173.51 1s40 s LYS 73 N -3.46 0.36 0.78 -0.60 -2.85 -1.26 -4.90 119.74 107.81 1s40 s LYS 73 Ca 0.34 -0.63 -0.16 0.00 -1.00 0.00 0.00 55.97 54.53 1s40 s LYS 73 Cb -0.10 -1.53 -0.04 0.00 -2.06 0.00 0.00 37.83 34.09 1s40 s LYS 73 CO 0.28 -0.94 0.35 1.47 0.10 0.00 0.00 175.35 176.61 1s40 n LEU 74 N 5.12 -0.23 -4.60 2.77 -0.00 -1.26 -4.91 117.00 113.90 1s40 n LEU 74 Ca -0.05 0.51 -0.29 0.00 -0.00 0.00 0.00 56.01 56.18 1s40 n LEU 74 Cb 0.43 -1.15 0.20 0.00 -0.00 0.00 0.00 43.42 42.90 1s40 n LEU 74 CO 0.07 -3.56 0.59 -1.83 -0.00 0.00 0.00 177.39 172.66 1s40 s GLU 75 N -2.76 -0.00 0.00 1.47 -1.05 -1.26 -4.87 118.70 110.23 1s40 s GLU 75 Ca 0.61 0.80 0.26 0.00 -0.15 0.00 0.00 54.97 56.49 1s40 s GLU 75 Cb -0.32 -1.66 1.55 0.00 -0.44 0.00 0.00 34.13 33.26 1s40 s GLU 75 CO 0.62 -3.10 1.93 1.47 0.95 0.00 0.00 175.26 177.13 1s40 n LEU 76 N -4.47 0.00 -1.83 1.83 -0.00 -1.26 -3.13 117.00 108.14 1s40 n LEU 76 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.99 1s40 n LEU 76 Cb 0.55 0.00 0.27 0.00 -0.00 0.00 0.00 43.42 44.24 1s40 n LEU 76 CO 0.56 0.00 1.01 0.59 -0.00 0.00 0.00 177.39 179.55 1s40 n ASN 77 N -0.97 4.31 0.00 1.45 3.02 -1.26 -4.69 115.26 117.12 1s40 n ASN 77 Ca 0.19 -3.33 0.00 0.00 -0.03 0.00 0.00 54.58 51.41 1s40 n ASN 77 Cb 0.09 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 1s40 n ASN 77 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1s40 n GLU 78 N -0.46 0.00 0.00 3.52 -0.58 -1.18 0.52 120.64 122.46 1s40 n GLU 78 Ca 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 1s40 n GLU 78 Cb 1.35 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 32.22 1s40 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s40 n GLY 79 N 3.20 -2.16 3.49 0.62 0.00 -1.26 -4.17 105.19 104.91 1s40 n GLY 79 Ca 0.00 -1.42 -0.16 0.00 0.00 0.00 0.00 46.02 44.44 1s40 n GLY 79 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s40 s PHE 80 N -0.24 -0.61 0.33 1.61 -0.71 -1.05 -4.93 117.98 112.40 1s40 s PHE 80 Ca 0.00 1.16 -0.05 0.00 -1.04 0.00 0.00 56.93 57.01 1s40 s PHE 80 Cb 0.00 0.32 -0.05 0.00 -1.21 0.00 0.00 43.02 42.08 1s40 s PHE 80 CO 0.00 -0.51 0.61 0.21 -1.34 0.00 0.00 175.22 174.19 1s40 s LYS 81 N -0.81 3.62 0.21 1.99 2.20 -1.26 -2.19 119.74 123.49 1s40 s LYS 81 Ca -0.09 0.03 -0.23 0.00 -0.36 0.00 0.00 55.97 55.33 1s40 s LYS 81 Cb -0.02 -2.59 0.05 0.00 -1.51 0.00 0.00 37.83 33.76 1s40 s LYS 81 CO 0.07 0.12 0.75 0.00 -0.36 0.00 0.00 175.35 175.93 1s40 s ALA 82 N -2.23 -1.43 0.14 3.13 0.00 0.94 -4.85 121.76 117.47 1s40 s ALA 82 Ca 0.45 0.04 -0.03 0.00 0.00 0.00 0.00 51.96 52.42 1s40 s ALA 82 Cb -0.10 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 1s40 s ALA 82 CO 0.33 -0.96 0.11 0.96 0.00 0.00 0.00 175.76 176.20 1s40 s ILE 83 N -3.71 0.09 -0.28 0.00 -5.25 -1.25 -0.98 121.20 109.82 1s40 s ILE 83 Ca 0.09 -1.81 -0.18 0.00 -0.99 0.00 0.00 60.65 57.75 1s40 s ILE 83 Cb -0.04 -2.04 0.08 0.00 2.95 0.00 0.00 42.46 43.41 1s40 s ILE 83 CO 0.01 -0.39 0.73 -0.32 -1.79 0.00 0.00 174.94 173.17 1s40 s MET 84 N -4.04 0.71 -0.18 0.37 -2.45 -1.26 -0.06 119.30 112.38 1s40 s MET 84 Ca 0.24 1.12 -0.36 0.00 -1.25 0.00 0.00 55.69 55.44 1s40 s MET 84 Cb 0.07 0.19 -0.17 0.00 1.25 0.00 0.00 34.83 36.17 1s40 s MET 84 CO 0.02 -0.13 1.10 0.66 1.05 0.00 0.00 175.02 177.72 1s40 n TYR 85 N 3.89 0.95 -0.18 4.11 4.01 -1.26 -3.82 117.16 124.86 1s40 n TYR 85 Ca -0.18 0.93 0.30 0.00 -0.16 0.00 0.00 57.90 58.78 1s40 n TYR 85 Cb 0.58 -1.82 0.66 0.00 -0.31 0.00 0.00 39.34 38.46 1s40 n TYR 85 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1s40 h LYS 86 N 3.27 0.00 0.03 -0.72 1.57 -1.89 0.47 116.57 119.30 1s40 h LYS 86 Ca -0.41 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1s40 h LYS 86 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1s40 h LYS 86 CO 0.67 0.00 -0.01 -0.91 -0.57 0.00 0.00 179.45 178.63 1s40 h ASN 87 N 0.00 -0.03 0.35 0.86 2.35 -2.00 0.69 115.58 117.80 1s40 h ASN 87 Ca 0.45 -0.50 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1s40 h ASN 87 Cb 2.20 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 40.58 1s40 h ASN 87 CO -0.00 0.49 -0.01 -0.61 -1.65 0.00 0.00 177.43 175.65 1s40 h GLN 88 N -0.57 0.00 0.01 0.81 5.75 -0.51 -2.15 115.11 118.45 1s40 h GLN 88 Ca -0.00 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 1s40 h GLN 88 Cb 0.53 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.08 1s40 h GLN 88 CO 0.01 0.01 -0.22 0.35 -2.65 0.00 0.00 178.83 176.32 1s40 h PHE 89 N 0.00 0.21 -0.80 3.99 3.57 -0.26 -2.62 116.94 121.03 1s40 h PHE 89 Ca -0.00 -0.12 0.17 0.00 3.53 0.00 0.00 57.97 61.55 1s40 h PHE 89 Cb 0.18 -0.02 -0.11 0.00 2.79 0.00 0.00 35.95 38.80 1s40 h PHE 89 CO 0.00 0.94 0.32 0.93 -2.23 0.00 0.00 178.31 178.27 1s40 h GLU 90 N -0.58 0.41 -0.56 1.11 5.08 -0.22 0.67 114.58 120.49 1s40 h GLU 90 Ca -0.03 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1s40 h GLU 90 Cb 1.01 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 1s40 h GLU 90 CO 0.04 0.27 0.28 1.15 -1.00 0.00 0.00 179.01 179.76 1s40 h THR 91 N 0.42 0.94 -0.01 1.13 2.02 -1.47 0.86 112.91 116.80 1s40 h THR 91 Ca 0.46 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 67.41 1s40 h THR 91 Cb 0.76 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1s40 h THR 91 CO -0.45 0.10 -0.19 0.15 0.37 0.00 0.00 175.52 175.49 1s40 h PHE 92 N 0.54 0.02 0.02 3.16 3.04 0.55 -1.51 116.94 122.76 1s40 h PHE 92 Ca 0.25 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.14 1s40 h PHE 92 Cb 0.17 -0.01 0.01 0.00 2.56 0.00 0.00 35.95 38.68 1s40 h PHE 92 CO -0.10 0.21 -0.26 -0.44 -2.02 0.00 0.00 178.31 175.70 1s40 h ASP 93 N 0.02 0.19 -0.84 0.41 5.19 0.21 -2.69 116.42 118.91 1s40 h ASP 93 Ca 0.00 -0.87 0.15 0.00 -0.62 0.00 0.00 57.03 55.70 1s40 h ASP 93 Cb 0.35 -0.06 -0.10 0.00 0.18 0.00 0.00 39.33 39.71 1s40 h ASP 93 CO 0.03 1.03 0.41 -1.28 -3.12 0.00 0.00 179.24 176.31 1s40 h SER 94 N -0.64 0.46 0.12 6.45 0.87 0.86 1.28 113.55 122.95 1s40 h SER 94 Ca -0.04 0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1s40 h SER 94 Cb 1.09 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.06 1s40 h SER 94 CO 0.05 0.18 -0.26 0.11 -0.53 0.00 0.00 176.83 176.37 1s40 h LYS 95 N 0.57 -0.46 -0.70 2.24 1.57 -1.30 -1.54 116.57 116.95 1s40 h LYS 95 Ca 0.46 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.26 1s40 h LYS 95 Cb 0.69 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 1s40 h LYS 95 CO -0.39 -0.30 0.37 -0.07 -0.57 0.00 0.00 179.45 178.49 1s40 h LEU 96 N -0.47 0.88 -1.90 2.94 3.38 -0.48 -1.80 115.31 117.85 1s40 h LEU 96 Ca 0.03 -0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.05 1s40 h LEU 96 Cb 0.50 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1s40 h LEU 96 CO -0.15 0.72 0.50 0.03 0.09 0.00 0.00 178.44 179.63 1s40 h ARG 97 N 0.98 0.00 0.00 1.13 3.08 0.25 0.61 114.38 120.44 1s40 h ARG 97 Ca 0.25 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.22 1s40 h ARG 97 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1s40 h ARG 97 CO -0.04 0.00 -0.35 0.87 -1.07 0.00 0.00 179.97 179.38 1s40 h LYS 98 N 0.00 0.00 -0.01 0.04 1.79 -1.10 2.23 116.57 119.52 1s40 h LYS 98 Ca 0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 1s40 h LYS 98 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1s40 h LYS 98 CO -0.00 0.35 -0.73 -0.89 -1.08 0.00 0.00 179.45 177.10 1s40 n ILE 99 N -3.19 0.00 -0.70 1.86 5.41 0.17 -4.43 119.36 118.48 1s40 n ILE 99 Ca 0.03 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.64 1s40 n ILE 99 Cb 0.67 1.11 0.00 0.00 -0.71 0.00 0.00 39.64 40.71 1s40 n ILE 99 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1s40 n PHE 100 N -0.84 0.00 -1.04 1.39 3.01 0.12 -4.99 117.46 115.11 1s40 n PHE 100 Ca 0.06 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.46 1s40 n PHE 100 Cb 0.37 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.82 1s40 n PHE 100 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1s40 n ASN 101 N -0.02 -4.75 -3.79 4.37 2.85 0.75 -4.85 115.26 109.81 1s40 n ASN 101 Ca 0.00 0.14 -0.09 0.00 -0.11 0.00 0.00 54.58 54.52 1s40 n ASN 101 Cb 0.17 -3.31 -0.03 0.00 1.24 0.00 0.00 39.78 37.85 1s40 n ASN 101 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1s40 s ASN 102 N -1.90 -0.06 0.27 1.20 0.01 -1.21 -4.99 114.94 108.27 1s40 s ASN 102 Ca 0.00 -0.89 0.06 0.00 -0.71 0.00 0.00 52.86 51.32 1s40 s ASN 102 Cb 0.00 0.66 -0.02 0.00 0.41 0.00 0.00 41.25 42.30 1s40 s ASN 102 CO 0.00 -1.27 0.38 -0.83 -1.51 0.00 0.00 177.10 173.87 1s40 s GLY 103 N -3.01 1.35 0.33 0.66 0.00 -1.26 -3.01 107.32 102.38 1s40 s GLY 103 Ca 0.19 -1.32 0.11 0.00 0.00 0.00 0.00 44.72 43.70 1s40 s GLY 103 CO 0.09 -1.31 1.65 -2.00 0.00 0.00 0.00 173.10 171.54 1s40 h LEU 104 N 1.11 0.32 -0.96 0.66 5.85 -1.95 0.76 115.31 121.10 1s40 h LEU 104 Ca -0.50 0.20 0.14 0.00 0.84 0.00 0.00 57.88 58.56 1s40 h LEU 104 Cb 1.24 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 42.37 1s40 h LEU 104 CO 0.58 -0.17 0.58 0.08 -0.34 0.00 0.00 178.44 179.18 1s40 h ARG 105 N 0.26 0.83 0.00 1.25 0.11 -1.98 0.47 114.38 115.32 1s40 h ARG 105 Ca 0.68 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.71 1s40 h ARG 105 Cb 1.53 -0.19 0.00 0.00 1.11 0.00 0.00 29.97 32.42 1s40 h ARG 105 CO -0.64 0.55 0.00 -0.44 0.10 0.00 0.00 179.97 179.54 1s40 h ASP 106 N 0.85 0.00 0.20 0.08 3.32 0.18 -2.54 116.42 118.51 1s40 h ASP 106 Ca 0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.56 1s40 h ASP 106 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1s40 h ASP 106 CO -0.31 0.00 -0.76 0.18 -1.72 0.00 0.00 179.24 176.62 1s40 n LEU 107 N -2.71 0.86 0.00 1.55 4.77 0.15 -3.71 117.00 117.91 1s40 n LEU 107 Ca 0.01 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1s40 n LEU 107 Cb 0.27 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1s40 n LEU 107 CO 0.24 0.21 0.00 0.00 -1.33 0.00 0.00 177.39 176.50 1s40 n GLN 108 N -1.40 0.00 0.00 3.23 1.13 -0.47 -4.13 117.38 115.73 1s40 n GLN 108 Ca 0.05 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.16 1s40 n GLN 108 Cb 0.34 -0.09 0.31 0.00 0.11 0.00 0.00 30.24 30.91 1s40 n GLN 108 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1s40 n ASN 109 N 0.00 0.00 -0.22 1.08 5.03 -1.26 -2.68 115.26 117.21 1s40 n ASN 109 Ca 0.00 -1.01 -0.07 0.00 0.87 0.00 0.00 54.58 54.37 1s40 n ASN 109 Cb 0.00 0.00 0.08 0.00 -1.02 0.00 0.00 39.78 38.84 1s40 n ASN 109 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1s40 h GLY 110 N 3.70 1.14 0.00 7.41 0.00 -1.72 -3.43 103.07 110.16 1s40 h GLY 110 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1s40 h GLY 110 CO 0.00 0.68 0.00 0.54 0.00 0.00 0.00 176.54 177.76 1s40 n ARG 111 N -4.22 0.00 -1.65 4.80 5.12 -1.21 -4.97 116.66 114.52 1s40 n ARG 111 Ca 0.04 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.91 1s40 n ARG 111 Cb 0.28 0.00 0.08 0.00 -1.16 0.00 0.00 32.46 31.66 1s40 n ARG 111 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1s40 n ASP 112 N 0.00 2.57 -2.74 0.55 9.92 -1.26 -4.98 116.55 120.61 1s40 n ASP 112 Ca 0.00 -3.14 -0.07 0.00 -0.53 0.00 0.00 54.79 51.04 1s40 n ASP 112 Cb 0.00 -0.42 0.03 0.00 -0.64 0.00 0.00 41.12 40.10 1s40 n ASP 112 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1s40 n GLU 113 N -0.59 -1.43 -3.72 -1.24 2.13 -1.09 -5.04 120.64 109.67 1s40 n GLU 113 Ca 0.22 0.83 -0.11 0.00 0.66 0.00 0.00 57.16 58.76 1s40 n GLU 113 Cb 0.88 -4.67 -0.11 0.00 0.27 0.00 0.00 31.44 27.81 1s40 n GLU 113 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1s40 s ASN 114 N -3.10 -0.42 -0.27 4.31 3.84 -1.25 -5.02 114.94 113.02 1s40 s ASN 114 Ca 0.23 0.76 0.10 0.00 0.21 0.00 0.00 52.86 54.15 1s40 s ASN 114 Cb -0.03 0.67 0.49 0.00 -0.55 0.00 0.00 41.25 41.83 1s40 s ASN 114 CO 0.55 -0.17 1.43 0.18 -2.79 0.00 0.00 177.10 176.29 1s40 n LEU 115 N 3.95 3.92 -2.76 3.21 7.99 -1.22 -4.63 117.00 127.47 1s40 n LEU 115 Ca -0.22 -3.75 -0.03 0.00 -0.01 0.00 0.00 56.01 52.00 1s40 n LEU 115 Cb 0.55 -0.62 0.06 0.00 -0.11 0.00 0.00 43.42 43.30 1s40 n LEU 115 CO 0.11 1.25 0.06 -1.54 -1.51 0.00 0.00 177.39 175.76 1s40 n SER 116 N -1.10 0.95 -0.83 -1.43 3.41 -1.26 -4.26 113.62 109.10 1s40 n SER 116 Ca 0.31 -2.29 0.08 0.00 -0.26 0.00 0.00 58.87 56.71 1s40 n SER 116 Cb 0.98 -0.26 0.18 0.00 -0.26 0.00 0.00 64.21 64.85 1s40 n SER 116 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s40 n GLN 117 N -0.54 2.53 0.00 4.33 6.02 -1.26 -4.42 117.38 124.03 1s40 n GLN 117 Ca 0.04 -2.11 0.00 0.00 -0.01 0.00 0.00 57.00 54.93 1s40 n GLN 117 Cb 0.82 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.72 1s40 n GLN 117 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1s40 n TYR 118 N 0.88 0.00 -2.89 1.08 4.02 -1.26 -4.03 117.16 114.96 1s40 n TYR 118 Ca 0.15 -0.04 -0.00 0.00 -0.01 0.00 0.00 57.90 58.00 1s40 n TYR 118 Cb 0.47 -0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.79 1s40 n TYR 118 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1s40 n GLY 119 N -0.04 -2.75 2.67 2.72 0.00 -1.26 -4.88 105.19 101.65 1s40 n GLY 119 Ca 0.00 0.30 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 1s40 n GLY 119 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1s40 n ILE 120 N 0.93 3.50 -1.68 -0.61 5.41 -1.26 -4.58 119.36 121.07 1s40 n ILE 120 Ca -0.00 -5.52 -0.36 0.00 1.00 0.00 0.00 62.75 57.87 1s40 n ILE 120 Cb 0.19 -1.91 0.07 0.00 -0.71 0.00 0.00 39.64 37.28 1s40 n ILE 120 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1s40 s VAL 121 N -3.12 2.25 -0.22 1.39 1.01 -1.21 -3.46 120.40 117.04 1s40 s VAL 121 Ca 0.40 0.14 -0.22 0.00 0.00 0.00 0.00 61.98 62.30 1s40 s VAL 121 Cb 0.16 -2.92 0.06 0.00 0.00 0.00 0.00 36.38 33.67 1s40 s VAL 121 CO -0.02 -0.05 0.61 0.00 0.00 0.00 0.00 175.10 175.65 1s40 s LYS 123 N 0.22 4.13 -0.20 0.00 -2.85 -0.95 -3.88 119.74 116.21 1s40 s LYS 123 Ca -0.01 0.80 -0.13 0.00 -1.00 0.00 0.00 55.97 55.63 1s40 s LYS 123 Cb -0.04 -2.58 0.06 0.00 -2.06 0.00 0.00 37.83 33.21 1s40 s LYS 123 CO 0.01 0.23 0.49 -1.64 0.10 0.00 0.00 175.35 174.54 1s40 s MET 124 N -2.62 0.52 -0.45 1.78 1.00 -0.59 -2.48 119.30 116.47 1s40 s MET 124 Ca 0.51 0.83 -0.16 0.00 0.00 0.00 0.00 55.69 56.87 1s40 s MET 124 Cb -0.13 0.12 0.04 0.00 0.00 0.00 0.00 34.83 34.87 1s40 s MET 124 CO 0.18 -0.12 0.39 1.21 0.00 0.00 0.00 175.02 176.68 1s40 s ASN 125 N 1.03 6.15 0.10 3.03 2.47 -1.26 0.21 114.94 126.67 1s40 s ASN 125 Ca -0.06 -1.04 0.05 0.00 0.42 0.00 0.00 52.86 52.24 1s40 s ASN 125 Cb -0.06 -2.19 -0.04 0.00 -1.45 0.00 0.00 41.25 37.51 1s40 s ASN 125 CO -0.09 -0.59 -0.00 -0.63 -3.72 0.00 0.00 177.10 172.06 1s40 s ILE 126 N 1.82 3.96 -0.25 -5.21 1.01 0.12 -0.31 121.20 122.33 1s40 s ILE 126 Ca 0.07 -1.05 -0.14 0.00 0.00 0.00 0.00 60.65 59.53 1s40 s ILE 126 Cb -0.21 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1s40 s ILE 126 CO 0.09 0.09 0.35 -0.75 0.00 0.00 0.00 174.94 174.73 1s40 s LYS 127 N -2.37 4.05 0.48 2.79 2.47 -0.60 -2.10 119.74 124.46 1s40 s LYS 127 Ca 0.26 0.03 -0.05 0.00 -1.56 0.00 0.00 55.97 54.65 1s40 s LYS 127 Cb -0.11 -3.62 -0.03 0.00 -1.46 0.00 0.00 37.83 32.61 1s40 s LYS 127 CO 0.18 -0.19 0.78 0.14 0.16 0.00 0.00 175.35 176.42 1s40 s VAL 128 N 1.79 4.71 0.12 4.02 -7.23 -0.97 -1.48 120.40 121.35 1s40 s VAL 128 Ca 0.15 0.09 -0.24 0.00 -1.81 0.00 0.00 61.98 60.16 1s40 s VAL 128 Cb -0.15 -3.79 0.08 0.00 0.56 0.00 0.00 36.38 33.08 1s40 s VAL 128 CO 0.09 -0.75 1.12 -0.75 -0.31 0.00 0.00 175.10 174.50 1s40 s LYS 129 N -4.74 1.02 -0.44 4.82 2.20 0.60 -2.57 119.74 120.63 1s40 s LYS 129 Ca 0.48 -0.66 -0.06 0.00 -0.36 0.00 0.00 55.97 55.37 1s40 s LYS 129 Cb -0.10 0.28 0.11 0.00 -1.51 0.00 0.00 37.83 36.61 1s40 s LYS 129 CO 0.44 -0.48 0.27 -1.64 -0.36 0.00 0.00 175.35 173.58 1s40 s MET 130 N -2.09 2.23 -0.94 4.03 -1.94 -1.24 0.28 119.30 119.63 1s40 s MET 130 Ca 0.25 -1.78 -0.25 0.00 -1.71 0.00 0.00 55.69 52.19 1s40 s MET 130 Cb -0.02 -3.74 -0.09 0.00 2.01 0.00 0.00 34.83 32.99 1s40 s MET 130 CO 0.03 -1.12 2.07 -0.47 -0.01 0.00 0.00 175.02 175.52 1s40 s TYR 131 N 1.25 1.62 -1.27 -0.03 6.14 0.69 -3.33 117.35 122.42 1s40 s TYR 131 Ca 0.07 1.08 0.00 0.00 0.64 0.00 0.00 57.07 58.86 1s40 s TYR 131 Cb -0.24 -3.83 0.00 0.00 0.42 0.00 0.00 41.96 38.31 1s40 s TYR 131 CO -0.02 -1.52 0.00 -1.71 0.64 0.00 0.00 175.55 172.94 1s40 n ASN 132 N 15.70 -5.72 0.00 4.32 5.15 -1.26 -1.93 115.26 131.52 1s40 n ASN 132 Ca 0.43 0.30 0.00 0.00 -0.60 0.00 0.00 54.58 54.70 1s40 n ASN 132 Cb 0.46 -4.28 0.00 0.00 -0.53 0.00 0.00 39.78 35.43 1s40 n ASN 132 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1s40 n GLY 133 N 0.21 1.20 3.83 8.20 0.00 -1.21 -5.13 105.19 112.29 1s40 n GLY 133 Ca -0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 1s40 n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s40 s LYS 134 N 0.00 2.53 -0.53 1.61 3.01 -0.81 -4.87 119.74 120.68 1s40 s LYS 134 Ca 0.00 -1.50 -0.27 0.00 -1.01 0.00 0.00 55.97 53.19 1s40 s LYS 134 Cb 0.00 -2.33 -0.02 0.00 -1.01 0.00 0.00 37.83 34.47 1s40 s LYS 134 CO 0.00 -0.05 1.88 -1.17 0.51 0.00 0.00 175.35 176.52 1s40 s LEU 135 N -4.02 3.36 -0.17 3.17 2.96 -1.26 0.25 118.68 122.97 1s40 s LEU 135 Ca 0.43 0.64 -0.21 0.00 -0.22 0.00 0.00 54.13 54.77 1s40 s LEU 135 Cb -0.03 -2.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.84 1s40 s LEU 135 CO 0.26 -2.23 0.64 0.21 -1.32 0.00 0.00 176.35 173.90 1s40 s ASN 136 N 7.83 6.74 -0.01 3.68 3.84 0.79 -4.66 114.94 133.15 1s40 s ASN 136 Ca 0.72 0.90 0.00 0.00 0.21 0.00 0.00 52.86 54.69 1s40 s ASN 136 Cb -0.15 -2.36 0.01 0.00 -0.55 0.00 0.00 41.25 38.19 1s40 s ASN 136 CO 0.24 -0.24 -0.00 0.00 -2.79 0.00 0.00 177.10 174.31 1s40 s ALA 137 N 1.67 0.10 0.43 1.71 0.00 -1.26 0.22 121.76 124.64 1s40 s ALA 137 Ca 0.30 0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.35 1s40 s ALA 137 Cb -0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 1s40 s ALA 137 CO 0.11 -0.00 0.15 0.96 0.00 0.00 0.00 175.76 176.98 1s40 s ILE 138 N 0.20 2.13 -0.05 0.00 -4.36 -0.55 -3.97 121.20 114.59 1s40 s ILE 138 Ca -0.02 -1.76 0.06 0.00 -0.26 0.00 0.00 60.65 58.68 1s40 s ILE 138 Cb -0.03 -2.89 -0.01 0.00 1.25 0.00 0.00 42.46 40.78 1s40 s ILE 138 CO -0.01 0.00 -0.25 -0.69 0.24 0.00 0.00 174.94 174.23 1s40 s VAL 139 N -2.65 2.05 -0.08 8.37 1.01 0.92 -1.56 120.40 128.46 1s40 s VAL 139 Ca 0.37 -1.07 0.08 0.00 0.00 0.00 0.00 61.98 61.35 1s40 s VAL 139 Cb 0.04 -1.73 -0.11 0.00 0.00 0.00 0.00 36.38 34.59 1s40 s VAL 139 CO 0.20 0.57 0.03 -1.14 0.00 0.00 0.00 175.10 174.77 1s40 n ARG 140 N 2.89 2.55 -4.51 2.72 3.00 0.57 -4.69 116.66 119.19 1s40 n ARG 140 Ca -0.17 -0.01 -0.24 0.00 -0.00 0.00 0.00 57.85 57.43 1s40 n ARG 140 Cb 0.52 -1.22 -0.10 0.00 0.00 0.00 0.00 32.46 31.66 1s40 n ARG 140 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1s40 s GLU 141 N -2.22 1.79 0.00 -0.14 2.02 -1.23 -4.92 118.70 114.00 1s40 s GLU 141 Ca -0.04 -2.03 0.00 0.00 0.02 0.00 0.00 54.97 52.92 1s40 s GLU 141 Cb 0.03 -1.01 0.00 0.00 0.10 0.00 0.00 34.13 33.25 1s40 s GLU 141 CO 0.35 -0.22 0.00 0.00 0.02 0.00 0.00 175.26 175.40 1s40 s GLU 143 N 0.00 2.88 0.24 0.00 2.12 -1.03 -4.76 118.70 118.15 1s40 s GLU 143 Ca 0.00 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.29 1s40 s GLU 143 Cb 0.00 -2.43 -0.09 0.00 0.26 0.00 0.00 34.13 31.87 1s40 s GLU 143 CO 0.00 0.40 1.29 -1.25 -0.54 0.00 0.00 175.26 175.15 1s40 s PRO 144 N -0.15 4.41 -0.41 4.30 0.04 -1.26 -2.24 135.00 139.69 1s40 s PRO 144 Ca -0.02 2.07 0.04 0.00 0.04 0.00 0.00 61.00 63.13 1s40 s PRO 144 Cb -0.14 -3.16 0.17 0.00 0.04 0.00 0.00 34.50 31.41 1s40 s PRO 144 CO 0.04 -0.19 0.37 0.08 0.04 0.00 0.00 177.00 177.34 1s40 s VAL 145 N -0.33 0.07 -0.03 -0.36 1.01 0.47 -4.92 120.40 116.30 1s40 s VAL 145 Ca 0.53 -2.13 -0.21 0.00 0.00 0.00 0.00 61.98 60.18 1s40 s VAL 145 Cb -0.37 -1.01 -0.14 0.00 0.00 0.00 0.00 36.38 34.86 1s40 s VAL 145 CO 0.42 -0.98 0.89 1.55 0.00 0.00 0.00 175.10 176.98 1s40 h PRO 146 N 5.92 -0.40 -1.55 2.72 0.13 -1.81 -3.21 132.00 133.80 1s40 h PRO 146 Ca 0.19 0.03 0.35 0.00 -0.87 0.00 0.00 66.00 65.69 1s40 h PRO 146 Cb 0.96 0.09 -0.11 0.00 0.13 0.00 0.00 31.00 32.07 1s40 h PRO 146 CO 0.29 -0.08 0.88 -1.01 -0.23 0.00 0.00 178.00 177.85 1s40 s HIS 147 N -3.75 -0.02 0.00 1.56 3.76 -1.26 -4.74 115.29 110.84 1s40 s HIS 147 Ca -0.12 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.72 1s40 s HIS 147 Cb 0.01 0.54 0.00 0.00 1.11 0.00 0.00 32.58 34.24 1s40 s HIS 147 CO 0.41 -0.22 0.00 0.45 -0.85 0.00 0.00 174.74 174.53 1s40 n SER 148 N -0.66 0.00 0.27 1.40 2.88 -1.26 -4.00 113.62 112.26 1s40 n SER 148 Ca -0.05 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.66 1s40 n SER 148 Cb 0.62 0.00 0.88 0.00 -0.75 0.00 0.00 64.21 64.96 1s40 n SER 148 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1s40 h GLN 149 N 0.00 0.00 -0.43 -1.46 4.20 -1.97 -3.08 115.11 112.36 1s40 h GLN 149 Ca 0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1s40 h GLN 149 Cb 0.00 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 1s40 h GLN 149 CO 0.00 0.00 -0.25 0.44 -0.67 0.00 0.00 178.83 178.35 1s40 n ILE 150 N -3.26 -0.29 0.19 2.54 -5.35 -1.26 0.18 119.36 112.10 1s40 n ILE 150 Ca 0.00 1.89 0.02 0.00 -0.27 0.00 0.00 62.75 64.39 1s40 n ILE 150 Cb 0.35 -2.42 0.10 0.00 -1.74 0.00 0.00 39.64 35.94 1s40 n ILE 150 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1s40 n SER 151 N -3.97 0.00 -0.28 7.28 2.88 -1.16 0.79 113.62 119.15 1s40 n SER 151 Ca 0.01 0.26 0.06 0.00 -1.33 0.00 0.00 58.87 57.87 1s40 n SER 151 Cb 0.11 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 1s40 n SER 151 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1s40 n SER 152 N -1.31 1.37 0.00 -3.46 2.88 0.47 -4.61 113.62 108.96 1s40 n SER 152 Ca 0.02 -1.19 0.00 0.00 -1.33 0.00 0.00 58.87 56.37 1s40 n SER 152 Cb 0.03 0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1s40 n SER 152 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1s40 n ILE 153 N -0.16 0.00 -2.86 2.46 5.41 0.20 -5.07 119.36 119.34 1s40 n ILE 153 Ca 0.05 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.64 1s40 n ILE 153 Cb 0.25 -0.60 0.07 0.00 -0.71 0.00 0.00 39.64 38.65 1s40 n ILE 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s40 n ALA 154 N -2.31 0.70 -2.64 -1.39 0.00 0.24 -5.06 120.51 110.04 1s40 n ALA 154 Ca 0.00 -1.64 -0.21 0.00 0.00 0.00 0.00 53.44 51.59 1s40 n ALA 154 Cb 0.48 0.39 0.10 0.00 0.00 0.00 0.00 19.45 20.41 1s40 n ALA 154 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1s40 n SER 155 N -2.63 1.32 0.09 0.00 2.88 -1.26 -4.75 113.62 109.28 1s40 n SER 155 Ca 0.13 -2.08 -0.06 0.00 -1.33 0.00 0.00 58.87 55.53 1s40 n SER 155 Cb 0.48 -0.55 0.04 0.00 -0.75 0.00 0.00 64.21 63.43 1s40 n SER 155 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1s40 h PRO 156 N 0.00 0.14 0.03 -1.46 0.13 -1.96 -1.87 132.00 127.01 1s40 h PRO 156 Ca -0.29 -0.14 -0.25 0.00 -0.87 0.00 0.00 66.00 64.46 1s40 h PRO 156 Cb 1.10 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 1s40 h PRO 156 CO 0.32 0.85 -1.26 0.77 -0.23 0.00 0.00 178.00 178.45 1s40 h SER 157 N 0.09 0.10 1.60 1.44 0.02 -2.02 -3.28 113.55 111.49 1s40 h SER 157 Ca -0.02 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 60.74 1s40 h SER 157 Cb 1.37 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.87 1s40 h SER 157 CO 0.11 1.10 -0.30 1.56 -1.14 0.00 0.00 176.83 178.16 1s40 h GLN 158 N 0.02 0.00 0.17 3.45 4.20 -1.94 -3.33 115.11 117.68 1s40 h GLN 158 Ca -0.12 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1s40 h GLN 158 Cb 1.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.66 1s40 h GLN 158 CO 0.13 0.30 -0.08 0.00 -0.67 0.00 0.00 178.83 178.51 1s40 h GLU 160 N -0.62 0.49 -0.15 0.00 4.11 -1.67 0.90 114.58 117.65 1s40 h GLU 160 Ca -0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1s40 h GLU 160 Cb 0.46 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1s40 h GLU 160 CO 0.04 0.33 0.05 1.25 0.07 0.00 0.00 179.01 180.74 1s40 h HIS 161 N 0.51 0.25 -0.45 2.06 2.76 -1.64 0.54 115.15 119.18 1s40 h HIS 161 Ca 0.50 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.61 1s40 h HIS 161 Cb 0.82 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.69 1s40 h HIS 161 CO -0.12 0.35 0.14 1.25 -1.30 0.00 0.00 177.93 178.26 1s40 h LEU 162 N 0.07 0.65 -0.92 0.26 6.46 -0.07 -2.17 115.31 119.57 1s40 h LEU 162 Ca 0.05 -0.20 0.02 0.00 -0.12 0.00 0.00 57.88 57.62 1s40 h LEU 162 Cb 0.22 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 39.94 1s40 h LEU 162 CO -0.00 0.68 0.61 0.03 -0.62 0.00 0.00 178.44 179.13 1s40 h ARG 163 N 0.58 1.19 0.00 1.25 2.47 0.90 -1.58 114.38 119.19 1s40 h ARG 163 Ca 0.14 -0.07 -0.05 0.00 -1.26 0.00 0.00 59.98 58.74 1s40 h ARG 163 Cb 0.26 -0.27 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 1s40 h ARG 163 CO -0.01 0.79 -0.25 -0.07 0.56 0.00 0.00 179.97 180.99 1s40 h LEU 164 N 1.23 0.00 -0.24 3.04 3.38 -0.54 -2.88 115.31 119.29 1s40 h LEU 164 Ca 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 1s40 h LEU 164 Cb -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1s40 h LEU 164 CO -0.09 0.25 0.02 0.15 0.09 0.00 0.00 178.44 178.87 1s40 h PHE 165 N 0.00 0.45 -0.76 1.13 3.57 -0.66 -2.90 116.94 117.77 1s40 h PHE 165 Ca -0.00 -0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.50 1s40 h PHE 165 Cb 0.46 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 1s40 h PHE 165 CO 0.00 0.56 0.44 1.88 -2.23 0.00 0.00 178.31 178.95 1s40 h TYR 166 N 0.21 0.80 -0.12 0.41 0.05 -1.35 0.11 116.97 117.07 1s40 h TYR 166 Ca 0.07 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.93 1s40 h TYR 166 Cb 0.36 -0.25 -0.06 0.00 1.01 0.00 0.00 36.73 37.80 1s40 h TYR 166 CO 0.03 0.36 -0.27 1.96 -1.05 0.00 0.00 178.16 179.19 1s40 h GLN 167 N 0.77 -0.33 0.17 4.88 1.08 -1.43 0.65 115.11 120.90 1s40 h GLN 167 Ca 0.35 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.57 1s40 h GLN 167 Cb 0.26 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1s40 h GLN 167 CO -0.21 -0.22 -0.08 -0.09 -0.95 0.00 0.00 178.83 177.28 1s40 h ARG 168 N -0.35 -0.22 -0.45 1.46 9.65 -1.29 -2.86 114.38 120.33 1s40 h ARG 168 Ca 0.10 0.02 0.13 0.00 -1.10 0.00 0.00 59.98 59.12 1s40 h ARG 168 Cb 0.49 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.10 1s40 h ARG 168 CO -0.32 0.10 0.32 0.00 2.80 0.00 0.00 179.97 182.87 1s40 h ALA 169 N 0.20 2.41 -0.02 2.80 0.00 -0.55 0.78 119.26 124.88 1s40 h ALA 169 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1s40 h ALA 169 Cb 0.42 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1s40 h ALA 169 CO 0.04 -0.53 0.03 0.74 0.00 0.00 0.00 179.25 179.53 1s40 h PHE 170 N 0.01 0.00 0.00 0.00 0.04 0.56 0.38 116.94 117.93 1s40 h PHE 170 Ca 0.21 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.95 1s40 h PHE 170 Cb 0.83 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.98 1s40 h PHE 170 CO -0.00 0.00 -1.17 1.63 -0.60 0.00 0.00 178.31 178.17 1s40 n LYS 171 N -3.51 1.92 0.08 1.51 4.76 0.71 -4.65 118.16 118.98 1s40 n LYS 171 Ca -0.03 -0.01 -0.16 0.00 -2.87 0.00 0.00 58.31 55.24 1s40 n LYS 171 Cb 0.11 -1.08 -0.08 0.00 -1.84 0.00 0.00 35.03 32.14 1s40 n LYS 171 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1s40 h ARG 172 N 0.00 0.46 -0.49 1.97 1.12 0.63 -3.28 114.38 114.79 1s40 h ARG 172 Ca -0.04 -0.56 0.07 0.00 -1.11 0.00 0.00 59.98 58.34 1s40 h ARG 172 Cb 0.70 0.17 -0.06 0.00 -0.01 0.00 0.00 29.97 30.77 1s40 h ARG 172 CO 0.00 1.20 0.14 0.82 -3.11 0.00 0.00 179.97 179.03 1s40 h ILE 173 N 0.23 0.79 0.00 1.20 2.04 -1.13 -3.48 117.51 117.17 1s40 h ILE 173 Ca -0.12 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1s40 h ILE 173 Cb 1.72 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1s40 h ILE 173 CO 0.19 0.06 0.00 0.61 0.00 0.00 0.00 178.15 179.00 1s40 n GLY 174 N -1.27 4.26 0.20 5.37 0.00 -1.24 -4.81 105.19 107.71 1s40 n GLY 174 Ca 0.05 -0.82 0.06 0.00 0.00 0.00 0.00 46.02 45.31 1s40 n GLY 174 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1s40 h GLU 175 N 0.00 0.00 0.15 1.61 4.11 -1.87 -2.99 114.58 115.59 1s40 h GLU 175 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.13 1s40 h GLU 175 Cb 0.00 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.28 1s40 h GLU 175 CO 0.00 0.32 -1.29 1.03 0.07 0.00 0.00 179.01 179.14 1s40 h SER 176 N 0.00 0.76 -0.27 3.06 0.87 -1.99 -3.31 113.55 112.66 1s40 h SER 176 Ca -0.00 -0.74 0.04 0.00 -1.23 0.00 0.00 61.79 59.86 1s40 h SER 176 Cb 0.72 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.40 1s40 h SER 176 CO 0.04 1.56 0.04 0.00 -0.53 0.00 0.00 176.83 177.94 1s40 h ALA 177 N 0.35 0.27 -0.45 6.23 0.00 -1.84 0.73 119.26 124.54 1s40 h ALA 177 Ca -0.19 0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.91 1s40 h ALA 177 Cb 1.97 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.83 1s40 h ALA 177 CO 0.24 -0.38 0.45 0.82 0.00 0.00 0.00 179.25 180.38 1s40 h ILE 178 N 0.13 0.42 0.00 0.00 1.08 -1.63 1.18 117.51 118.69 1s40 h ILE 178 Ca 0.13 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.59 1s40 h ILE 178 Cb 0.14 0.65 -0.00 0.00 -3.07 0.00 0.00 36.82 34.54 1s40 h ILE 178 CO -0.18 0.00 -0.05 0.28 -0.69 0.00 0.00 178.15 177.51 1s40 h SER 179 N 0.00 0.00 -0.04 1.72 0.02 -0.95 -1.17 113.55 113.13 1s40 h SER 179 Ca 0.21 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.03 1s40 h SER 179 Cb 1.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 1s40 h SER 179 CO -0.00 0.02 -0.42 0.03 -1.14 0.00 0.00 176.83 175.32 1s40 h ARG 180 N 0.00 0.57 -1.19 3.45 2.47 0.19 -3.35 114.38 116.51 1s40 h ARG 180 Ca -0.00 -0.30 -0.38 0.00 -1.26 0.00 0.00 59.98 58.04 1s40 h ARG 180 Cb 1.02 0.01 -0.35 0.00 -1.65 0.00 0.00 29.97 28.99 1s40 h ARG 180 CO 0.00 0.88 -1.05 0.66 0.56 0.00 0.00 179.97 181.03 1s40 n TYR 181 N -4.02 0.05 -0.17 3.04 4.02 -1.16 -4.98 117.16 113.94 1s40 n TYR 181 Ca -0.02 -3.03 -0.07 0.00 -0.01 0.00 0.00 57.90 54.77 1s40 n TYR 181 Cb 0.53 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.82 1s40 n TYR 181 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1s40 h PHE 182 N 2.90 -1.05 -0.50 -0.72 -5.15 -1.36 0.12 116.94 111.19 1s40 h PHE 182 Ca -0.04 0.07 -0.07 0.00 -0.20 0.00 0.00 57.97 57.73 1s40 h PHE 182 Cb 1.11 0.53 -0.02 0.00 0.22 0.00 0.00 35.95 37.79 1s40 h PHE 182 CO 0.43 -0.40 0.04 1.05 -2.00 0.00 0.00 178.31 177.43 1s40 h GLU 183 N -0.23 0.86 0.00 6.09 4.11 -1.94 -2.59 114.58 120.89 1s40 h GLU 183 Ca 0.19 -0.26 -0.02 0.00 0.07 0.00 0.00 59.36 59.35 1s40 h GLU 183 Cb 0.56 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1s40 h GLU 183 CO -0.63 0.88 -0.07 0.93 0.07 0.00 0.00 179.01 180.19 1s40 h GLU 184 N 0.73 0.00 0.20 1.06 5.08 -1.58 -2.69 114.58 117.37 1s40 h GLU 184 Ca 0.15 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.20 1s40 h GLU 184 Cb 0.47 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.75 1s40 h GLU 184 CO 0.02 0.07 -1.30 -0.92 -1.00 0.00 0.00 179.01 175.88 1s40 h TYR 185 N 0.00 0.93 0.00 4.33 3.20 -0.41 -3.26 116.97 121.76 1s40 h TYR 185 Ca -0.00 -0.65 -0.03 0.00 3.14 0.00 0.00 58.73 61.19 1s40 h TYR 185 Cb 0.21 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 1s40 h TYR 185 CO 0.00 1.50 -0.15 0.07 -1.64 0.00 0.00 178.16 177.94 1s40 h ARG 186 N 0.10 0.00 0.00 1.82 0.11 -1.22 -3.45 114.38 111.75 1s40 h ARG 186 Ca -0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.86 1s40 h ARG 186 Cb 2.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.09 1s40 h ARG 186 CO 0.25 0.15 0.00 -2.13 0.10 0.00 0.00 179.97 178.33 1s40 n ARG 187 N -3.51 0.00 -0.09 0.08 3.00 -1.05 -0.55 116.66 114.54 1s40 n ARG 187 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.70 1s40 n ARG 187 Cb 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.70 1s40 n ARG 187 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1s40 n PHE 188 N 0.00 0.64 -2.43 -0.14 3.01 -1.26 -4.98 117.46 112.30 1s40 n PHE 188 Ca 0.00 0.28 -0.24 0.00 1.01 0.00 0.00 57.45 58.50 1s40 n PHE 188 Cb 0.00 -0.84 0.07 0.00 -0.01 0.00 0.00 39.48 38.69 1s40 n PHE 188 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1s40 s PHE 189 N -2.44 2.62 0.91 1.38 0.40 0.29 -5.07 117.98 116.06 1s40 s PHE 189 Ca -0.25 0.13 -0.12 0.00 -0.60 0.00 0.00 56.93 56.09 1s40 s PHE 189 Cb 0.05 -3.02 0.14 0.00 0.51 0.00 0.00 43.02 40.70 1s40 s PHE 189 CO 0.40 -1.29 1.10 -1.25 0.70 0.00 0.00 175.22 174.88 1s40 s PRO 190 N -5.06 1.15 0.00 0.24 0.04 -1.26 -4.27 135.00 125.85 1s40 s PRO 190 Ca 0.60 0.64 0.27 0.00 0.04 0.00 0.00 61.00 62.55 1s40 s PRO 190 Cb -0.09 -1.81 1.60 0.00 0.04 0.00 0.00 34.50 34.23 1s40 s PRO 190 CO 0.42 -2.27 1.95 -0.89 0.04 0.00 0.00 177.00 176.25