#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 1.58 -3.15 1.97 2.81 -1.26 -5.01 117.12 114.06 1s40 n MET 6 Ca 0.00 -3.86 0.05 0.00 -1.81 0.00 0.00 57.70 52.08 1s40 n MET 6 Cb 0.00 -1.72 -0.01 0.00 -0.71 0.00 0.00 33.22 30.79 1s40 n MET 6 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s40 s ALA 7 N -2.04 -3.52 0.18 3.04 0.00 -1.26 -5.17 121.76 112.99 1s40 s ALA 7 Ca 0.39 1.37 -0.03 0.00 0.00 0.00 0.00 51.96 53.69 1s40 s ALA 7 Cb 0.21 -2.65 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 1s40 s ALA 7 CO -0.08 -1.80 0.17 -0.98 0.00 0.00 0.00 175.76 173.07 1s40 s ARG 8 N 2.93 1.16 0.23 0.00 1.04 -1.26 -5.18 118.95 117.88 1s40 s ARG 8 Ca 0.15 -1.48 0.01 0.00 -1.04 0.00 0.00 55.73 53.37 1s40 s ARG 8 Cb -0.07 0.30 0.01 0.00 -2.04 0.00 0.00 34.95 33.16 1s40 s ARG 8 CO -0.19 -0.39 0.12 0.36 -0.04 0.00 0.00 175.30 175.16 1s40 n LYS 9 N -0.23 1.25 -3.82 3.89 2.85 -1.26 -5.10 118.16 115.75 1s40 n LYS 9 Ca -0.01 -1.50 -0.36 0.00 -1.05 0.00 0.00 58.31 55.39 1s40 n LYS 9 Cb 0.65 0.24 -0.12 0.00 -0.65 0.00 0.00 35.03 35.14 1s40 n LYS 9 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1s40 s ASP 10 N -2.31 5.15 0.54 -5.58 2.15 -1.26 -4.98 116.67 110.38 1s40 s ASP 10 Ca 0.09 -1.75 0.00 0.00 0.43 0.00 0.00 52.55 51.32 1s40 s ASP 10 Cb -0.01 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.82 1s40 s ASP 10 CO 0.06 -0.44 0.00 -0.81 -0.17 0.00 0.00 175.17 173.80 1s40 n PRO 11 N 4.61 0.20 -3.63 4.34 -0.04 -1.26 -4.97 135.00 134.26 1s40 n PRO 11 Ca -0.06 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.28 1s40 n PRO 11 Cb 0.42 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.81 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 -0.54 0.00 0.00 0.52 2.01 -1.26 -3.57 115.64 112.80 1s40 s THR 12 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1s40 s THR 12 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1s40 s THR 12 CO 0.00 0.00 0.00 2.30 -0.69 0.00 0.00 174.62 176.23 1s40 n ILE 13 N 2.57 0.00 -2.74 1.82 -5.35 -1.23 -4.91 119.36 109.51 1s40 n ILE 13 Ca -0.14 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.32 1s40 n ILE 13 Cb 0.55 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 38.48 1s40 n ILE 13 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1s40 s GLU 14 N 1.01 0.40 0.00 6.28 2.12 -1.26 -4.62 118.70 122.63 1s40 s GLU 14 Ca 0.00 -0.34 0.00 0.00 0.36 0.00 0.00 54.97 54.99 1s40 s GLU 14 Cb 0.00 -0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.39 1s40 s GLU 14 CO 0.00 -0.52 0.00 1.19 -0.54 0.00 0.00 175.26 175.39 1s40 n PHE 15 N 2.99 0.00 0.09 5.30 3.72 -1.26 -2.91 117.46 125.39 1s40 n PHE 15 Ca 0.11 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.49 1s40 n PHE 15 Cb 0.62 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 39.37 1s40 n PHE 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s40 n GLN 17 N -4.00 1.39 0.00 0.00 1.13 -1.15 -4.85 117.38 109.90 1s40 n GLN 17 Ca -0.02 -0.49 0.00 0.00 -1.94 0.00 0.00 57.00 54.55 1s40 n GLN 17 Cb 0.50 -1.22 0.00 0.00 0.11 0.00 0.00 30.24 29.63 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 -0.07 0.00 0.00 1.08 7.99 -0.86 -4.36 117.00 120.78 1s40 n LEU 18 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.05 1s40 n LEU 18 Cb 0.18 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.49 1s40 n LEU 18 CO 0.04 -0.05 0.00 0.61 -1.51 0.00 0.00 177.39 176.48 1s40 n GLY 19 N 0.00 0.05 2.14 -0.72 0.00 -1.26 -4.98 105.19 100.42 1s40 n GLY 19 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.49 0.99 -0.00 -1.26 -5.05 117.00 108.20 1s40 n LEU 20 Ca 0.00 -0.25 -0.11 0.00 -0.00 0.00 0.00 56.01 55.65 1s40 n LEU 20 Cb 0.00 -0.51 -0.03 0.00 -0.00 0.00 0.00 43.42 42.88 1s40 n LEU 20 CO 0.00 -2.03 0.58 -0.62 -0.00 0.00 0.00 177.39 175.33 1s40 s ASP 21 N -1.69 -0.46 0.00 1.96 2.15 -1.26 -4.99 116.67 112.38 1s40 s ASP 21 Ca 0.19 0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.29 1s40 s ASP 21 Cb -0.03 0.46 0.00 0.00 -0.30 0.00 0.00 42.92 43.04 1s40 s ASP 21 CO 0.16 -0.70 0.43 0.41 -0.17 0.00 0.00 175.17 175.30 1s40 n THR 22 N -0.06 0.00 0.18 1.71 -1.04 -1.26 -0.15 114.28 113.65 1s40 n THR 22 Ca -0.12 0.93 0.02 0.00 -2.04 0.00 0.00 64.05 62.83 1s40 n THR 22 Cb 0.62 -1.43 0.10 0.00 -1.82 0.00 0.00 70.33 67.80 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 -0.86 0.00 0.00 -1.42 7.35 -1.26 -4.39 117.46 116.88 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 -0.35 0.00 0.00 0.35 0.00 0.00 39.48 39.48 1s40 n PHE 23 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1s40 n GLU 24 N -1.35 1.50 0.00 -4.13 0.00 0.78 -5.04 120.64 112.40 1s40 n GLU 24 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.18 1s40 n GLU 24 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.48 1s40 n GLU 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1s40 n THR 25 N -0.29 0.00 -2.90 6.31 -1.04 -1.26 -4.61 114.28 110.48 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 2.29 -0.64 0.00 0.00 175.07 176.72 1s40 n LYS 26 N -1.55 0.00 -4.75 -2.82 2.85 -1.08 -5.01 118.16 105.79 1s40 n LYS 26 Ca 0.00 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.01 1s40 n LYS 26 Cb 0.00 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.23 1s40 n LYS 26 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1s40 s TYR 27 N -2.14 1.74 -0.01 5.58 2.02 -1.26 -1.54 117.35 121.74 1s40 s TYR 27 Ca 0.00 -0.35 -0.17 0.00 -0.37 0.00 0.00 57.07 56.18 1s40 s TYR 27 Cb 0.00 -1.07 0.03 0.00 -0.40 0.00 0.00 41.96 40.52 1s40 s TYR 27 CO 0.00 0.04 0.37 0.96 -1.57 0.00 0.00 175.55 175.35 1s40 s ILE 28 N -0.65 0.05 -0.31 2.71 -4.36 0.07 -4.44 121.20 114.27 1s40 s ILE 28 Ca 0.07 -0.43 -0.08 0.00 -0.26 0.00 0.00 60.65 59.95 1s40 s ILE 28 Cb -0.08 -0.73 0.00 0.00 1.25 0.00 0.00 42.46 42.90 1s40 s ILE 28 CO 0.01 -0.24 0.12 -0.89 0.24 0.00 0.00 174.94 174.18 1s40 s THR 29 N -1.55 4.30 -0.12 8.37 2.01 -1.23 0.13 115.64 127.55 1s40 s THR 29 Ca -0.12 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 1s40 s THR 29 Cb -0.04 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 69.22 1s40 s THR 29 CO 0.04 0.05 -0.00 -0.04 -0.69 0.00 0.00 174.62 173.98 1s40 s MET 30 N 1.56 3.29 -0.13 4.92 -1.94 -0.98 -3.58 119.30 122.43 1s40 s MET 30 Ca 0.03 -0.43 -0.03 0.00 -1.71 0.00 0.00 55.69 53.56 1s40 s MET 30 Cb -0.17 -2.88 -0.03 0.00 2.01 0.00 0.00 34.83 33.76 1s40 s MET 30 CO 0.04 0.53 -0.03 -0.06 -0.01 0.00 0.00 175.02 175.49 1s40 s PHE 31 N -0.40 3.05 0.02 -0.03 0.40 -1.26 -3.15 117.98 116.61 1s40 s PHE 31 Ca 0.07 -0.12 -0.28 0.00 -0.60 0.00 0.00 56.93 56.00 1s40 s PHE 31 Cb -0.12 -1.89 0.10 0.00 0.51 0.00 0.00 43.02 41.62 1s40 s PHE 31 CO 0.02 0.14 1.24 0.20 0.70 0.00 0.00 175.22 177.52 1s40 s GLY 32 N -0.10 -0.21 -0.15 4.36 0.00 -1.21 -4.67 107.32 105.34 1s40 s GLY 32 Ca 0.03 0.25 -0.08 0.00 0.00 0.00 0.00 44.72 44.92 1s40 s GLY 32 CO 0.02 2.82 0.13 -0.29 0.00 0.00 0.00 173.10 175.78 1s40 s MET 33 N -2.25 3.70 0.34 2.90 -2.45 0.10 -2.65 119.30 118.99 1s40 s MET 33 Ca 0.22 -0.17 -0.28 0.00 -1.25 0.00 0.00 55.69 54.21 1s40 s MET 33 Cb 0.01 -3.27 -0.10 0.00 1.25 0.00 0.00 34.83 32.73 1s40 s MET 33 CO -0.01 0.61 1.25 -1.17 1.05 0.00 0.00 175.02 176.74 1s40 s LEU 34 N -0.53 4.40 0.00 4.11 2.96 -0.92 -1.81 118.68 126.90 1s40 s LEU 34 Ca 0.12 2.56 0.00 0.00 -0.22 0.00 0.00 54.13 56.59 1s40 s LEU 34 Cb -0.12 -3.72 0.00 0.00 0.50 0.00 0.00 46.19 42.85 1s40 s LEU 34 CO 0.02 -0.51 0.00 0.52 -1.32 0.00 0.00 176.35 175.06 1s40 n VAL 35 N 0.71 0.00 -4.22 1.68 0.31 -0.05 -4.44 118.33 112.32 1s40 n VAL 35 Ca 0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.18 1s40 n VAL 35 Cb 0.43 -0.67 -0.08 0.00 -0.91 0.00 0.00 33.84 32.61 1s40 n VAL 35 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1s40 s SER 36 N -2.41 0.99 -0.03 4.52 0.15 -1.16 -2.29 113.70 113.47 1s40 s SER 36 Ca 0.00 -1.57 -0.29 0.00 0.70 0.00 0.00 55.95 54.79 1s40 s SER 36 Cb 0.00 0.50 0.10 0.00 -1.71 0.00 0.00 66.02 64.92 1s40 s SER 36 CO 0.00 -1.01 0.87 0.00 1.20 0.00 0.00 173.24 174.30 1s40 s SER 38 N -2.04 0.68 0.00 0.00 0.01 0.44 -3.86 113.70 108.93 1s40 s SER 38 Ca 0.01 -1.50 0.29 0.00 1.31 0.00 0.00 55.95 56.06 1s40 s SER 38 Cb -0.01 0.79 1.26 0.00 0.21 0.00 0.00 66.02 68.28 1s40 s SER 38 CO -0.05 -0.24 1.87 2.22 0.41 0.00 0.00 173.24 177.45 1s40 n PHE 39 N 4.20 0.00 -0.22 2.43 -1.74 -1.26 -0.86 117.46 120.02 1s40 n PHE 39 Ca 0.12 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.94 1s40 n PHE 39 Cb 0.47 -0.01 0.03 0.00 1.52 0.00 0.00 39.48 41.49 1s40 n PHE 39 CO 0.00 0.00 0.00 0.22 -0.56 0.00 0.00 176.76 176.42 1s40 h ASP 40 N 1.65 0.79 -2.47 5.98 3.58 -1.94 -3.43 116.42 120.59 1s40 h ASP 40 Ca 0.00 -0.13 -0.57 0.00 0.42 0.00 0.00 57.03 56.75 1s40 h ASP 40 Cb 0.37 -0.20 0.06 0.00 1.72 0.00 0.00 39.33 41.28 1s40 h ASP 40 CO 0.00 0.70 0.81 0.29 -2.88 0.00 0.00 179.24 178.16 1s40 n LYS 41 N -4.52 2.28 0.00 0.28 4.76 -1.26 -4.82 118.16 114.88 1s40 n LYS 41 Ca 0.04 0.82 0.06 0.00 -2.87 0.00 0.00 58.31 56.36 1s40 n LYS 41 Cb 0.12 -2.58 0.37 0.00 -1.84 0.00 0.00 35.03 31.10 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 3.19 0.71 -0.00 1.97 -0.04 -1.26 -2.86 135.00 136.71 1s40 n PRO 42 Ca 0.15 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.68 1s40 n PRO 42 Cb 0.31 -1.27 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.77 3.32 0.00 0.55 0.00 -1.26 -5.02 120.51 117.32 1s40 n ALA 43 Ca 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1s40 n ALA 43 Cb 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.56 0.00 -3.61 0.00 1.16 -1.13 -4.47 117.46 107.85 1s40 n PHE 44 Ca 0.01 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.32 1s40 n PHE 44 Cb 0.26 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.03 1s40 n PHE 44 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 1s40 n ILE 45 N 2.87 1.00 -1.02 1.97 -0.00 -1.26 -4.26 119.36 118.67 1s40 n ILE 45 Ca 0.00 -4.58 -0.40 0.00 -0.00 0.00 0.00 62.75 57.78 1s40 n ILE 45 Cb 0.00 -2.04 -0.05 0.00 -0.00 0.00 0.00 39.64 37.55 1s40 n ILE 45 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1s40 n SER 46 N 1.81 -0.07 -4.14 4.38 7.64 -0.04 -4.20 113.62 119.01 1s40 n SER 46 Ca 0.24 0.79 -0.16 0.00 1.01 0.00 0.00 58.87 60.75 1s40 n SER 46 Cb 0.41 -0.63 -0.12 0.00 -1.01 0.00 0.00 64.21 62.87 1s40 n SER 46 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1s40 s PHE 47 N -0.05 1.01 -0.24 1.43 0.08 -0.05 0.17 117.98 120.33 1s40 s PHE 47 Ca 0.61 -0.51 -0.01 0.00 0.12 0.00 0.00 56.93 57.14 1s40 s PHE 47 Cb -0.85 -0.57 0.07 0.00 -0.57 0.00 0.00 43.02 41.10 1s40 s PHE 47 CO 0.39 0.00 0.02 0.08 -0.10 0.00 0.00 175.22 175.61 1s40 s VAL 48 N -1.53 1.02 0.72 -0.44 1.01 -1.12 0.64 120.40 120.69 1s40 s VAL 48 Ca -0.03 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.93 1s40 s VAL 48 Cb -0.09 -1.50 0.14 0.00 0.00 0.00 0.00 36.38 34.93 1s40 s VAL 48 CO 0.01 -0.29 0.99 -0.36 0.00 0.00 0.00 175.10 175.45 1s40 s PHE 49 N 1.61 1.24 0.08 5.22 0.08 -0.51 -0.87 117.98 124.82 1s40 s PHE 49 Ca -0.00 -0.47 -0.26 0.00 0.12 0.00 0.00 56.93 56.33 1s40 s PHE 49 Cb -0.18 -2.82 0.08 0.00 -0.57 0.00 0.00 43.02 39.53 1s40 s PHE 49 CO -0.11 -1.75 0.70 -1.12 -0.10 0.00 0.00 175.22 172.84 1s40 s SER 50 N -4.79 -0.52 0.00 1.36 0.01 -0.75 -2.17 113.70 106.85 1s40 s SER 50 Ca 0.67 0.10 0.00 0.00 1.31 0.00 0.00 55.95 58.04 1s40 s SER 50 Cb -0.04 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.71 1s40 s SER 50 CO 0.44 -0.81 0.00 -0.90 0.41 0.00 0.00 173.24 172.38 1s40 n ASP 51 N -0.14 2.43 -0.04 2.44 5.68 -1.16 -0.72 116.55 125.03 1s40 n ASP 51 Ca -0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 1s40 n ASP 51 Cb 0.63 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 1s40 n ASP 51 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1s40 n PHE 52 N 0.00 0.00 -1.04 2.11 7.35 -1.26 -4.93 117.46 119.69 1s40 n PHE 52 Ca 0.00 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.71 1s40 n PHE 52 Cb 0.00 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.82 1s40 n PHE 52 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1s40 n THR 53 N 0.00 0.00 -3.69 -2.13 -2.24 -1.26 -4.84 114.28 100.12 1s40 n THR 53 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1s40 n THR 53 Cb 0.00 -0.06 -0.14 0.00 -2.10 0.00 0.00 70.33 68.03 1s40 n THR 53 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1s40 s LYS 54 N -0.53 0.10 0.31 -0.78 2.47 -1.26 -4.76 119.74 115.29 1s40 s LYS 54 Ca 0.00 0.59 -0.30 0.00 -1.56 0.00 0.00 55.97 54.70 1s40 s LYS 54 Cb 0.00 -0.17 -0.12 0.00 -1.46 0.00 0.00 37.83 36.09 1s40 s LYS 54 CO 0.00 -0.26 1.56 -1.71 0.16 0.00 0.00 175.35 175.10 1s40 n ASN 55 N 5.02 3.74 -0.08 1.43 4.05 0.19 -2.96 115.26 126.65 1s40 n ASN 55 Ca -0.11 1.16 0.04 0.00 0.45 0.00 0.00 54.58 56.12 1s40 n ASN 55 Cb 0.50 -1.58 -0.02 0.00 1.23 0.00 0.00 39.78 39.91 1s40 n ASN 55 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1s40 n ASP 56 N 1.82 0.68 -4.65 1.20 2.03 -1.26 -4.79 116.55 111.58 1s40 n ASP 56 Ca 0.07 -0.84 -0.29 0.00 0.52 0.00 0.00 54.79 54.25 1s40 n ASP 56 Cb 0.37 0.76 0.14 0.00 -0.72 0.00 0.00 41.12 41.67 1s40 n ASP 56 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1s40 s ILE 57 N -1.48 1.97 0.08 5.18 1.01 -1.26 -4.98 121.20 121.72 1s40 s ILE 57 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 1s40 s ILE 57 Cb 0.06 -2.85 -0.27 0.00 0.01 0.00 0.00 42.46 39.41 1s40 s ILE 57 CO 0.26 0.00 1.14 1.62 0.00 0.00 0.00 174.94 177.96 1s40 h VAL 58 N -1.45 1.51 0.00 2.92 3.04 -1.95 -3.48 116.25 116.83 1s40 h VAL 58 Ca -0.48 -3.12 0.00 0.00 -1.01 0.00 0.00 66.70 62.09 1s40 h VAL 58 Cb 1.31 2.90 0.00 0.00 -2.01 0.00 0.00 31.29 33.49 1s40 h VAL 58 CO 0.58 0.90 0.00 0.00 -1.01 0.00 0.00 177.57 178.04 1s40 n GLN 59 N -3.47 0.00 -1.20 4.17 10.64 -1.26 -4.85 117.38 121.41 1s40 n GLN 59 Ca -0.07 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.10 1s40 n GLN 59 Cb 1.01 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.39 1s40 n GLN 59 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1s40 n ASN 60 N -2.55 1.71 -0.17 2.61 5.15 -1.26 -4.59 115.26 116.17 1s40 n ASN 60 Ca 0.00 -0.60 0.19 0.00 -0.60 0.00 0.00 54.58 53.57 1s40 n ASN 60 Cb 0.00 0.00 0.57 0.00 -0.53 0.00 0.00 39.78 39.82 1s40 n ASN 60 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1s40 h TYR 61 N 0.60 0.35 -1.49 1.20 3.20 -1.98 -3.44 116.97 115.41 1s40 h TYR 61 Ca 0.00 0.01 -0.34 0.00 3.14 0.00 0.00 58.73 61.54 1s40 h TYR 61 Cb 0.00 -0.11 -0.12 0.00 1.54 0.00 0.00 36.73 38.04 1s40 h TYR 61 CO 0.00 0.11 -0.32 -0.11 -1.64 0.00 0.00 178.16 176.20 1s40 n LEU 62 N -4.44 -1.24 0.00 2.82 -0.00 -1.26 -4.66 117.00 108.22 1s40 n LEU 62 Ca 0.16 0.37 0.00 0.00 -0.00 0.00 0.00 56.01 56.54 1s40 n LEU 62 Cb 0.66 -2.39 0.00 0.00 -0.00 0.00 0.00 43.42 41.69 1s40 n LEU 62 CO 0.34 -0.78 0.00 0.00 -0.00 0.00 0.00 177.39 176.95 1s40 n TYR 63 N -2.29 -0.21 -1.12 1.96 9.36 -1.26 -4.42 117.16 119.17 1s40 n TYR 63 Ca -0.17 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.05 1s40 n TYR 63 Cb 0.55 0.06 0.00 0.00 -0.63 0.00 0.00 39.34 39.33 1s40 n TYR 63 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1s40 n ASP 64 N -3.59 0.23 -3.91 2.98 8.00 -1.26 -4.69 116.55 114.31 1s40 n ASP 64 Ca 0.00 -1.34 -0.26 0.00 0.71 0.00 0.00 54.79 53.90 1s40 n ASP 64 Cb 0.00 -0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 40.97 1s40 n ASP 64 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1s40 n ARG 65 N -0.08 -0.92 -0.45 -1.24 1.85 -1.26 -4.23 116.66 110.33 1s40 n ARG 65 Ca 0.00 0.08 -0.09 0.00 -1.00 0.00 0.00 57.85 56.84 1s40 n ARG 65 Cb 0.52 -2.97 -0.06 0.00 -1.05 0.00 0.00 32.46 28.90 1s40 n ARG 65 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 1s40 n TYR 66 N -3.68 0.07 -0.86 2.89 0.18 -1.26 -4.77 117.16 109.73 1s40 n TYR 66 Ca -0.18 0.05 -0.33 0.00 1.88 0.00 0.00 57.90 59.32 1s40 n TYR 66 Cb 0.50 -0.38 0.07 0.00 -0.38 0.00 0.00 39.34 39.15 1s40 n TYR 66 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1s40 n LEU 67 N 2.28 -2.65 -0.43 -3.48 4.32 -1.26 -4.62 117.00 111.15 1s40 n LEU 67 Ca 0.20 -0.06 0.36 0.00 -0.02 0.00 0.00 56.01 56.49 1s40 n LEU 67 Cb 0.03 -0.64 0.64 0.00 -1.62 0.00 0.00 43.42 41.83 1s40 n LEU 67 CO 0.31 -2.66 1.23 0.40 -1.22 0.00 0.00 177.39 175.45 1s40 h ILE 68 N -1.48 0.15 -3.20 -0.08 2.04 -1.86 -3.34 117.51 109.74 1s40 h ILE 68 Ca -0.39 -0.04 -0.59 0.00 1.00 0.00 0.00 64.86 64.84 1s40 h ILE 68 Cb 1.25 0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 37.29 1s40 h ILE 68 CO 0.24 0.02 0.60 -1.81 0.00 0.00 0.00 178.15 177.20 1s40 s ASP 69 N -4.54 6.94 -0.23 1.72 1.01 -1.26 -4.90 116.67 115.40 1s40 s ASP 69 Ca -0.08 1.18 0.02 0.00 0.71 0.00 0.00 52.55 54.39 1s40 s ASP 69 Cb 0.29 -2.48 0.36 0.00 1.01 0.00 0.00 42.92 42.11 1s40 s ASP 69 CO 0.82 -0.57 1.47 -1.22 0.21 0.00 0.00 175.17 175.87 1s40 n TYR 70 N 6.09 1.60 -0.11 4.23 4.02 -1.26 -4.16 117.16 127.58 1s40 n TYR 70 Ca 0.08 -1.16 -0.21 0.00 -0.01 0.00 0.00 57.90 56.60 1s40 n TYR 70 Cb 0.47 -0.60 -0.08 0.00 -0.02 0.00 0.00 39.34 39.11 1s40 n TYR 70 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1s40 n GLU 71 N -0.33 0.55 -4.66 -0.72 4.07 -1.26 -5.02 120.64 113.28 1s40 n GLU 71 Ca 0.31 0.39 -0.29 0.00 -0.06 0.00 0.00 57.16 57.50 1s40 n GLU 71 Cb 1.10 -1.59 -0.10 0.00 -0.06 0.00 0.00 31.44 30.79 1s40 n GLU 71 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1s40 s ASN 72 N -6.82 3.94 0.25 4.31 3.84 -1.26 -5.16 114.94 114.05 1s40 s ASN 72 Ca -0.31 -1.45 0.02 0.00 0.21 0.00 0.00 52.86 51.33 1s40 s ASN 72 Cb 0.09 -0.13 -0.01 0.00 -0.55 0.00 0.00 41.25 40.65 1s40 s ASN 72 CO 0.48 -0.57 0.08 0.29 -2.79 0.00 0.00 177.10 174.58 1s40 n LYS 73 N -1.05 0.79 -4.57 0.43 5.02 -1.26 -4.59 118.16 112.92 1s40 n LYS 73 Ca -0.09 -2.08 -0.27 0.00 -2.02 0.00 0.00 58.31 53.85 1s40 n LYS 73 Cb 0.67 1.06 -0.08 0.00 -0.02 0.00 0.00 35.03 36.65 1s40 n LYS 73 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1s40 s LEU 74 N 0.00 2.09 0.86 -0.35 0.05 -1.26 -5.06 118.68 115.01 1s40 s LEU 74 Ca 0.11 -1.66 -0.12 0.00 0.05 0.00 0.00 54.13 52.51 1s40 s LEU 74 Cb 0.01 -0.28 0.11 0.00 -2.05 0.00 0.00 46.19 43.98 1s40 s LEU 74 CO 0.08 -0.90 1.11 -1.83 -0.55 0.00 0.00 176.35 174.26 1s40 s GLU 75 N -3.75 1.53 0.00 1.48 -1.05 -1.26 -4.86 118.70 110.79 1s40 s GLU 75 Ca 0.20 0.51 0.20 0.00 -0.15 0.00 0.00 54.97 55.73 1s40 s GLU 75 Cb 0.03 -1.87 0.82 0.00 -0.44 0.00 0.00 34.13 32.67 1s40 s GLU 75 CO 0.12 -1.97 1.57 1.28 0.95 0.00 0.00 175.26 177.21 1s40 n LEU 76 N -3.65 1.21 -0.61 1.83 4.77 -1.26 -3.51 117.00 115.79 1s40 n LEU 76 Ca 0.07 -0.51 0.13 0.00 -0.03 0.00 0.00 56.01 55.66 1s40 n LEU 76 Cb 0.57 -0.08 0.27 0.00 -2.33 0.00 0.00 43.42 41.86 1s40 n LEU 76 CO 0.57 0.26 0.66 0.59 -1.33 0.00 0.00 177.39 178.14 1s40 n ASN 77 N 0.03 2.01 -0.08 -1.43 4.13 -1.26 -4.17 115.26 114.49 1s40 n ASN 77 Ca 0.15 -1.57 -0.07 0.00 1.68 0.00 0.00 54.58 54.77 1s40 n ASN 77 Cb 0.25 0.10 -0.14 0.00 -1.54 0.00 0.00 39.78 38.46 1s40 n ASN 77 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1s40 n GLU 78 N 0.40 1.18 -4.43 3.52 4.07 -1.23 0.55 120.64 124.70 1s40 n GLU 78 Ca 0.15 -0.02 -0.30 0.00 -0.06 0.00 0.00 57.16 56.93 1s40 n GLU 78 Cb 0.45 -1.44 -0.06 0.00 -0.06 0.00 0.00 31.44 30.34 1s40 n GLU 78 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1s40 s GLY 79 N -5.04 2.72 0.18 8.31 0.00 -1.26 -3.01 107.32 109.22 1s40 s GLY 79 Ca -0.08 -1.00 -0.22 0.00 0.00 0.00 0.00 44.72 43.42 1s40 s GLY 79 CO 0.70 -2.08 0.60 -0.11 0.00 0.00 0.00 173.10 172.21 1s40 s PHE 80 N -2.80 -0.41 0.04 1.90 -0.71 -0.92 -4.92 117.98 110.16 1s40 s PHE 80 Ca 0.20 0.13 -0.15 0.00 -1.04 0.00 0.00 56.93 56.07 1s40 s PHE 80 Cb 0.02 0.55 -0.06 0.00 -1.21 0.00 0.00 43.02 42.31 1s40 s PHE 80 CO 0.12 -0.92 0.46 0.21 -1.34 0.00 0.00 175.22 173.75 1s40 s LYS 81 N -3.80 3.97 -0.01 1.99 2.20 -1.26 -1.43 119.74 121.40 1s40 s LYS 81 Ca 0.04 0.47 0.03 0.00 -0.36 0.00 0.00 55.97 56.15 1s40 s LYS 81 Cb -0.02 -3.18 -0.01 0.00 -1.51 0.00 0.00 37.83 33.12 1s40 s LYS 81 CO -0.08 0.65 -0.12 0.00 -0.36 0.00 0.00 175.35 175.44 1s40 s ALA 82 N -1.15 0.98 0.15 3.13 0.00 0.21 -4.75 121.76 120.32 1s40 s ALA 82 Ca 0.27 -0.49 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 1s40 s ALA 82 Cb -0.17 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1s40 s ALA 82 CO 0.16 0.23 0.09 0.96 0.00 0.00 0.00 175.76 177.19 1s40 s ILE 83 N -0.19 0.08 -0.29 0.00 -5.25 -1.26 -0.87 121.20 113.42 1s40 s ILE 83 Ca 0.03 -1.90 -0.17 0.00 -0.99 0.00 0.00 60.65 57.62 1s40 s ILE 83 Cb -0.05 -2.14 0.15 0.00 2.95 0.00 0.00 42.46 43.36 1s40 s ILE 83 CO -0.00 -0.35 1.00 0.00 -1.79 0.00 0.00 174.94 173.80 1s40 s MET 84 N -4.07 0.38 0.35 0.37 0.23 -1.26 0.40 119.30 115.69 1s40 s MET 84 Ca 0.27 0.63 -0.22 0.00 -1.03 0.00 0.00 55.69 55.33 1s40 s MET 84 Cb 0.07 0.09 -0.16 0.00 -1.53 0.00 0.00 34.83 33.31 1s40 s MET 84 CO 0.04 -0.07 0.18 0.98 -2.03 0.00 0.00 175.02 174.12 1s40 n TYR 85 N 3.49 -1.68 -0.31 3.16 9.36 -1.26 -3.99 117.16 125.93 1s40 n TYR 85 Ca -0.18 0.69 0.16 0.00 3.32 0.00 0.00 57.90 61.89 1s40 n TYR 85 Cb 0.57 -1.77 0.34 0.00 -0.63 0.00 0.00 39.34 37.86 1s40 n TYR 85 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1s40 h LYS 86 N 0.47 0.33 -0.66 2.98 1.57 -1.92 1.32 116.57 120.67 1s40 h LYS 86 Ca -0.34 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1s40 h LYS 86 Cb 1.40 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.60 1s40 h LYS 86 CO 0.48 0.22 0.42 -0.91 -0.57 0.00 0.00 179.45 179.09 1s40 h ASN 87 N 0.34 0.69 0.14 0.86 2.35 -1.98 0.68 115.58 118.68 1s40 h ASN 87 Ca 0.60 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.29 1s40 h ASN 87 Cb 1.22 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 1s40 h ASN 87 CO -0.58 0.49 -0.23 1.56 -1.65 0.00 0.00 177.43 177.02 1s40 h GLN 88 N 0.83 0.16 -0.19 0.81 7.50 0.11 -1.64 115.11 122.68 1s40 h GLN 88 Ca 0.26 -0.04 -0.19 0.00 0.50 0.00 0.00 58.65 59.17 1s40 h GLN 88 Cb -0.01 -0.02 0.01 0.00 0.05 0.00 0.00 27.48 27.51 1s40 h GLN 88 CO -0.09 0.38 -0.62 0.35 -1.50 0.00 0.00 178.83 177.35 1s40 h PHE 89 N 0.14 0.99 0.05 2.96 3.04 0.27 -1.70 116.94 122.69 1s40 h PHE 89 Ca 0.03 -0.40 0.01 0.00 3.98 0.00 0.00 57.97 61.58 1s40 h PHE 89 Cb 0.49 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 1s40 h PHE 89 CO 0.01 1.22 -0.09 0.93 -2.02 0.00 0.00 178.31 178.35 1s40 h GLU 90 N 0.47 -0.17 -0.89 1.11 4.39 0.72 0.92 114.58 121.13 1s40 h GLU 90 Ca -0.03 0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.82 1s40 h GLU 90 Cb 1.25 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.85 1s40 h GLU 90 CO 0.13 -0.12 0.50 1.15 -1.16 0.00 0.00 179.01 179.52 1s40 h THR 91 N -0.18 0.81 0.08 1.13 2.02 -1.29 0.54 112.91 116.02 1s40 h THR 91 Ca 0.02 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1s40 h THR 91 Cb 0.20 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1s40 h THR 91 CO -0.05 0.14 -0.04 0.15 0.37 0.00 0.00 175.52 176.08 1s40 h PHE 92 N 0.75 -0.10 -0.65 3.16 3.57 -0.20 -2.83 116.94 120.64 1s40 h PHE 92 Ca 0.47 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 62.03 1s40 h PHE 92 Cb 0.58 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 1s40 h PHE 92 CO -0.06 0.29 0.43 -0.44 -2.23 0.00 0.00 178.31 176.30 1s40 h ASP 93 N -0.51 0.55 -0.86 0.41 5.19 0.17 -0.03 116.42 121.33 1s40 h ASP 93 Ca -0.01 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.45 1s40 h ASP 93 Cb 0.43 -0.11 -0.06 0.00 0.18 0.00 0.00 39.33 39.77 1s40 h ASP 93 CO 0.02 0.35 0.54 0.77 -3.12 0.00 0.00 179.24 177.80 1s40 h SER 94 N 0.62 0.87 -0.36 6.45 4.64 0.24 0.71 113.55 126.73 1s40 h SER 94 Ca 0.28 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.60 1s40 h SER 94 Cb 0.31 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1s40 h SER 94 CO -0.09 0.57 0.18 0.11 -0.87 0.00 0.00 176.83 176.73 1s40 h LYS 95 N 1.01 0.55 0.11 4.77 1.79 -0.77 -2.68 116.57 121.36 1s40 h LYS 95 Ca 0.36 -0.06 -0.23 0.00 -2.18 0.00 0.00 60.65 58.54 1s40 h LYS 95 Cb 0.11 -0.11 0.02 0.00 -1.58 0.00 0.00 32.23 30.68 1s40 h LYS 95 CO -0.15 0.45 -0.96 -0.07 -1.08 0.00 0.00 179.45 177.63 1s40 h LEU 96 N 0.56 0.65 -1.71 2.94 3.38 -0.59 -3.22 115.31 117.32 1s40 h LEU 96 Ca 0.14 -0.86 0.04 0.00 0.09 0.00 0.00 57.88 57.29 1s40 h LEU 96 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1s40 h LEU 96 CO -0.02 1.45 0.48 0.03 0.09 0.00 0.00 178.44 180.47 1s40 h ARG 97 N -0.05 0.00 0.00 1.13 3.08 0.66 0.93 114.38 120.12 1s40 h ARG 97 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1s40 h ARG 97 Cb 1.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.75 1s40 h ARG 97 CO 0.18 0.00 -0.32 0.87 -1.07 0.00 0.00 179.97 179.64 1s40 h LYS 98 N 0.00 0.00 -0.00 0.04 1.79 -1.55 2.11 116.57 118.96 1s40 h LYS 98 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1s40 h LYS 98 Cb 1.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 1s40 h LYS 98 CO -0.00 0.00 -0.81 -0.89 -1.08 0.00 0.00 179.45 176.66 1s40 n ILE 99 N -2.70 0.00 -0.62 1.86 5.41 0.30 -4.45 119.36 119.15 1s40 n ILE 99 Ca 0.03 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.69 1s40 n ILE 99 Cb 0.50 1.02 0.00 0.00 -0.71 0.00 0.00 39.64 40.45 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 -1.30 0.00 -0.84 1.39 3.72 0.24 -4.99 117.46 115.67 1s40 n PHE 100 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1s40 n PHE 100 Cb 0.29 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 1s40 n PHE 100 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1s40 n ASN 101 N -0.04 -4.13 -4.04 4.37 2.85 0.71 -4.88 115.26 110.10 1s40 n ASN 101 Ca 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.37 1s40 n ASN 101 Cb 0.16 -3.18 -0.07 0.00 1.24 0.00 0.00 39.78 37.92 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 -1.99 0.03 0.52 1.20 0.01 -1.20 -4.96 114.94 108.55 1s40 s ASN 102 Ca 0.00 -1.04 -0.01 0.00 -0.71 0.00 0.00 52.86 51.10 1s40 s ASN 102 Cb 0.00 0.47 0.01 0.00 0.41 0.00 0.00 41.25 42.14 1s40 s ASN 102 CO 0.00 -0.97 0.76 -0.83 -1.51 0.00 0.00 177.10 174.56 1s40 s GLY 103 N -3.04 1.64 0.29 0.66 0.00 -1.26 -3.14 107.32 102.46 1s40 s GLY 103 Ca 0.25 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.95 1s40 s GLY 103 CO 0.07 -0.79 1.62 -2.00 0.00 0.00 0.00 173.10 172.00 1s40 h LEU 104 N 0.14 -0.19 -0.99 0.66 5.85 -1.97 0.98 115.31 119.80 1s40 h LEU 104 Ca -0.45 0.22 0.20 0.00 0.84 0.00 0.00 57.88 58.69 1s40 h LEU 104 Cb 1.27 0.34 -0.11 0.00 0.37 0.00 0.00 40.66 42.52 1s40 h LEU 104 CO 0.57 -0.22 0.58 0.08 -0.34 0.00 0.00 178.44 179.12 1s40 h ARG 105 N 0.13 0.67 0.00 1.25 -0.00 -1.94 1.13 114.38 115.62 1s40 h ARG 105 Ca 0.54 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 60.48 1s40 h ARG 105 Cb 1.09 -0.15 0.00 0.00 -0.00 0.00 0.00 29.97 30.91 1s40 h ARG 105 CO -0.73 0.44 0.00 -0.44 -0.00 0.00 0.00 179.97 179.24 1s40 h ASP 106 N 0.69 0.00 0.06 0.08 3.32 0.66 -3.20 116.42 118.02 1s40 h ASP 106 Ca 0.59 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.63 1s40 h ASP 106 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1s40 h ASP 106 CO -0.41 0.00 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.01 1s40 h LEU 107 N 0.00 -0.06 -9.86 1.55 3.38 0.18 -3.46 115.31 107.04 1s40 h LEU 107 Ca 0.00 -0.48 -0.54 0.00 0.09 0.00 0.00 57.88 56.95 1s40 h LEU 107 Cb 0.49 0.02 0.20 0.00 0.09 0.00 0.00 40.66 41.45 1s40 h LEU 107 CO 0.00 0.63 -0.29 0.00 0.09 0.00 0.00 178.44 178.88 1s40 n GLN 108 N -4.77 -0.02 0.00 1.13 10.64 -0.82 -4.80 117.38 118.74 1s40 n GLN 108 Ca -0.06 0.05 0.08 0.00 -1.83 0.00 0.00 57.00 55.23 1s40 n GLN 108 Cb 0.26 -2.00 0.43 0.00 -0.86 0.00 0.00 30.24 28.07 1s40 n GLN 108 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1s40 n ASN 109 N -1.58 0.00 0.00 2.61 4.13 -1.26 -4.78 115.26 114.37 1s40 n ASN 109 Ca 0.09 -0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.15 1s40 n ASN 109 Cb 0.52 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.61 1s40 n ASN 109 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1s40 n GLY 110 N -0.00 1.29 0.00 7.41 0.00 -1.26 -4.99 105.19 107.63 1s40 n GLY 110 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1s40 n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s40 n ARG 111 N -1.39 0.00 -0.34 1.61 5.12 -1.26 -5.03 116.66 115.36 1s40 n ARG 111 Ca 0.00 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.80 1s40 n ARG 111 Cb 0.00 0.00 0.10 0.00 -1.16 0.00 0.00 32.46 31.40 1s40 n ARG 111 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1s40 n ASP 112 N 0.00 -1.74 0.00 0.55 -0.08 -1.26 -5.00 116.55 109.02 1s40 n ASP 112 Ca 0.00 -0.67 0.00 0.00 -1.51 0.00 0.00 54.79 52.61 1s40 n ASP 112 Cb 0.00 -0.39 0.00 0.00 2.34 0.00 0.00 41.12 43.07 1s40 n ASP 112 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1s40 n GLU 113 N -2.97 2.99 -2.35 -0.67 4.71 -1.26 -4.66 120.64 116.44 1s40 n GLU 113 Ca 0.06 -0.05 -0.41 0.00 -0.01 0.00 0.00 57.16 56.75 1s40 n GLU 113 Cb 0.23 -0.36 -0.03 0.00 -1.01 0.00 0.00 31.44 30.27 1s40 n GLU 113 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1s40 s ASN 114 N -0.44 7.04 -0.10 1.62 4.22 -1.25 -3.93 114.94 122.10 1s40 s ASN 114 Ca 0.00 2.22 0.01 0.00 -2.14 0.00 0.00 52.86 52.95 1s40 s ASN 114 Cb 0.00 -2.60 0.02 0.00 1.28 0.00 0.00 41.25 39.95 1s40 s ASN 114 CO 0.00 -0.43 -0.12 -0.76 -2.04 0.00 0.00 177.10 173.75 1s40 s LEU 115 N 0.15 1.53 -0.00 3.54 1.43 -0.97 -4.84 118.68 119.52 1s40 s LEU 115 Ca 0.55 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1s40 s LEU 115 Cb -0.33 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 44.96 1s40 s LEU 115 CO 0.35 -0.02 0.63 -0.24 0.23 0.00 0.00 176.35 177.29 1s40 n SER 116 N 4.34 0.06 -0.18 2.29 2.88 -1.23 -3.02 113.62 118.76 1s40 n SER 116 Ca -0.18 -1.26 0.05 0.00 -1.33 0.00 0.00 58.87 56.15 1s40 n SER 116 Cb 0.51 -0.05 -0.02 0.00 -0.75 0.00 0.00 64.21 63.90 1s40 n SER 116 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s40 n GLN 117 N -0.02 2.45 -0.09 -1.46 6.02 -1.26 -4.54 117.38 118.48 1s40 n GLN 117 Ca 0.00 -0.45 -0.09 0.00 -0.01 0.00 0.00 57.00 56.45 1s40 n GLN 117 Cb 0.54 -1.08 -0.15 0.00 1.02 0.00 0.00 30.24 30.57 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 -0.53 0.00 0.00 1.08 4.01 -1.26 -3.74 117.16 116.72 1s40 n TYR 118 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1s40 n TYR 118 Cb 0.21 -0.91 0.00 0.00 -0.31 0.00 0.00 39.34 38.33 1s40 n TYR 118 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s40 n GLY 119 N 1.87 2.04 3.83 2.72 0.00 -1.26 -4.81 105.19 109.57 1s40 n GLY 119 Ca -0.30 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 -4.02 -1.96 -0.61 -0.00 -1.26 -2.16 119.36 109.35 1s40 n ILE 120 Ca 0.00 -0.59 -0.42 0.00 -0.00 0.00 0.00 62.75 61.74 1s40 n ILE 120 Cb 0.00 -3.31 -0.03 0.00 -0.00 0.00 0.00 39.64 36.30 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 -3.79 3.08 0.09 1.39 1.01 -1.26 -4.02 120.40 116.90 1s40 s VAL 121 Ca 0.09 0.55 -0.07 0.00 0.00 0.00 0.00 61.98 62.55 1s40 s VAL 121 Cb -0.03 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 1s40 s VAL 121 CO 0.86 0.00 0.16 0.00 0.00 0.00 0.00 175.10 176.12 1s40 s LYS 123 N -3.89 3.10 -0.24 0.00 2.36 -0.07 -3.33 119.74 117.69 1s40 s LYS 123 Ca 0.07 -0.60 -0.15 0.00 -2.55 0.00 0.00 55.97 52.74 1s40 s LYS 123 Cb 0.05 -2.85 0.07 0.00 -1.05 0.00 0.00 37.83 34.05 1s40 s LYS 123 CO -0.10 0.58 0.59 -1.64 1.55 0.00 0.00 175.35 176.34 1s40 s MET 124 N -2.45 0.62 -0.13 4.03 1.00 -1.19 -1.93 119.30 119.26 1s40 s MET 124 Ca 0.32 1.02 -0.27 0.00 0.00 0.00 0.00 55.69 56.75 1s40 s MET 124 Cb -0.12 0.14 -0.02 0.00 0.00 0.00 0.00 34.83 34.82 1s40 s MET 124 CO 0.24 -0.14 0.91 -0.80 0.00 0.00 0.00 175.02 175.23 1s40 s ASN 125 N 1.29 7.11 0.07 3.03 0.02 -1.26 -2.33 114.94 122.87 1s40 s ASN 125 Ca -0.08 1.36 0.09 0.00 -1.02 0.00 0.00 52.86 53.21 1s40 s ASN 125 Cb -0.06 -2.50 -0.03 0.00 0.02 0.00 0.00 41.25 38.68 1s40 s ASN 125 CO -0.13 -0.39 -0.24 -0.63 0.02 0.00 0.00 177.10 175.72 1s40 s ILE 126 N 1.93 2.38 -0.40 0.60 1.01 0.34 0.23 121.20 127.29 1s40 s ILE 126 Ca 0.43 -1.43 -0.17 0.00 0.00 0.00 0.00 60.65 59.48 1s40 s ILE 126 Cb -0.18 -1.99 0.01 0.00 0.01 0.00 0.00 42.46 40.32 1s40 s ILE 126 CO 0.16 0.28 0.42 -0.54 0.00 0.00 0.00 174.94 175.26 1s40 s LYS 127 N -1.54 3.25 0.23 2.79 1.02 -0.69 -0.75 119.74 124.05 1s40 s LYS 127 Ca 0.13 -0.63 0.01 0.00 0.02 0.00 0.00 55.97 55.50 1s40 s LYS 127 Cb -0.10 -3.92 -0.04 0.00 -0.52 0.00 0.00 37.83 33.26 1s40 s LYS 127 CO 0.04 -0.76 0.40 0.14 -0.92 0.00 0.00 175.35 174.26 1s40 s VAL 128 N 2.12 5.21 -0.07 3.17 -7.23 -0.59 -1.63 120.40 121.39 1s40 s VAL 128 Ca 0.12 -0.58 -0.31 0.00 -1.81 0.00 0.00 61.98 59.40 1s40 s VAL 128 Cb -0.17 -3.79 0.12 0.00 0.56 0.00 0.00 36.38 33.09 1s40 s VAL 128 CO 0.13 -0.28 1.07 -1.59 -0.31 0.00 0.00 175.10 174.12 1s40 s LYS 129 N -3.68 0.60 -0.59 4.82 -2.85 -0.70 -2.63 119.74 114.70 1s40 s LYS 129 Ca 0.37 -0.25 -0.22 0.00 -1.00 0.00 0.00 55.97 54.88 1s40 s LYS 129 Cb -0.10 0.25 0.07 0.00 -2.06 0.00 0.00 37.83 35.99 1s40 s LYS 129 CO 0.30 -0.26 0.84 -1.64 0.10 0.00 0.00 175.35 174.69 1s40 s MET 130 N -2.77 3.16 -0.98 1.78 -1.94 -1.25 0.19 119.30 117.48 1s40 s MET 130 Ca 0.09 -0.78 -0.21 0.00 -1.71 0.00 0.00 55.69 53.08 1s40 s MET 130 Cb -0.00 -4.16 0.09 0.00 2.01 0.00 0.00 34.83 32.77 1s40 s MET 130 CO -0.06 -1.56 1.30 -0.47 -0.01 0.00 0.00 175.02 174.23 1s40 s TYR 131 N 3.50 2.83 0.00 -0.03 5.04 0.31 -3.91 117.35 125.08 1s40 s TYR 131 Ca 0.21 -1.13 0.00 0.00 -2.44 0.00 0.00 57.07 53.71 1s40 s TYR 131 Cb -0.17 -4.50 0.00 0.00 0.35 0.00 0.00 41.96 37.64 1s40 s TYR 131 CO 0.12 -1.72 0.00 -1.71 -1.34 0.00 0.00 175.55 170.91 1s40 n ASN 132 N 7.72 -1.40 0.00 4.32 5.15 -1.26 -2.77 115.26 127.02 1s40 n ASN 132 Ca 0.29 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.27 1s40 n ASN 132 Cb 0.50 -1.02 0.00 0.00 -0.53 0.00 0.00 39.78 38.73 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 -1.91 1.19 3.91 8.20 0.00 -1.25 -5.12 105.19 110.20 1s40 n GLY 133 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 3.31 -0.62 1.61 1.02 -1.11 -4.75 119.74 119.20 1s40 s LYS 134 Ca 0.00 -0.69 -0.28 0.00 0.02 0.00 0.00 55.97 55.03 1s40 s LYS 134 Cb 0.00 -2.88 0.02 0.00 -0.52 0.00 0.00 37.83 34.45 1s40 s LYS 134 CO 0.00 0.50 1.32 -1.17 -0.92 0.00 0.00 175.35 175.08 1s40 s LEU 135 N -3.32 3.34 -0.52 3.17 2.96 -1.26 0.11 118.68 123.17 1s40 s LEU 135 Ca 0.34 0.02 -0.22 0.00 -0.22 0.00 0.00 54.13 54.05 1s40 s LEU 135 Cb -0.10 -2.93 0.05 0.00 0.50 0.00 0.00 46.19 43.70 1s40 s LEU 135 CO 0.27 -1.70 0.79 0.21 -1.32 0.00 0.00 176.35 174.61 1s40 s ASN 136 N 3.88 6.30 -0.18 3.68 2.47 0.49 -4.81 114.94 126.77 1s40 s ASN 136 Ca 0.45 -0.55 -0.05 0.00 0.42 0.00 0.00 52.86 53.13 1s40 s ASN 136 Cb -0.09 -2.37 -0.03 0.00 -1.45 0.00 0.00 41.25 37.31 1s40 s ASN 136 CO 0.22 -1.05 -0.01 0.00 -3.72 0.00 0.00 177.10 172.54 1s40 s ALA 137 N 3.33 3.06 0.44 1.71 0.00 -1.26 -1.73 121.76 127.31 1s40 s ALA 137 Ca 0.24 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.38 1s40 s ALA 137 Cb -0.15 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 1s40 s ALA 137 CO 0.17 0.04 0.28 0.96 0.00 0.00 0.00 175.76 177.21 1s40 s ILE 138 N 0.66 2.28 -0.22 0.00 -4.36 -0.65 -4.18 121.20 114.73 1s40 s ILE 138 Ca -0.01 -1.55 -0.04 0.00 -0.26 0.00 0.00 60.65 58.79 1s40 s ILE 138 Cb -0.14 -2.83 -0.01 0.00 1.25 0.00 0.00 42.46 40.73 1s40 s ILE 138 CO 0.02 0.00 -0.03 -0.69 0.24 0.00 0.00 174.94 174.48 1s40 s VAL 139 N -2.60 3.45 -0.03 8.37 1.01 0.16 -1.70 120.40 129.07 1s40 s VAL 139 Ca 0.41 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 1s40 s VAL 139 Cb 0.00 -2.57 -0.27 0.00 0.00 0.00 0.00 36.38 33.54 1s40 s VAL 139 CO 0.24 0.42 0.74 -0.09 0.00 0.00 0.00 175.10 176.40 1s40 h ARG 140 N 8.12 0.22 0.00 2.72 9.65 0.26 -3.44 114.38 131.92 1s40 h ARG 140 Ca -0.41 -0.37 0.00 0.00 -1.10 0.00 0.00 59.98 58.09 1s40 h ARG 140 Cb 1.16 0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.88 1s40 h ARG 140 CO 0.60 1.05 0.00 0.39 2.80 0.00 0.00 179.97 184.81 1s40 n GLU 141 N -3.40 2.76 0.00 0.20 1.02 -1.16 -4.92 120.64 115.15 1s40 n GLU 141 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 1s40 n GLU 141 Cb 1.05 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.47 1s40 n GLU 141 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s40 s GLU 143 N 0.00 4.42 0.42 0.00 0.41 -0.81 -4.79 118.70 118.35 1s40 s GLU 143 Ca 0.00 0.86 -0.24 0.00 -0.41 0.00 0.00 54.97 55.18 1s40 s GLU 143 Cb 0.00 -3.40 -0.08 0.00 -1.78 0.00 0.00 34.13 28.86 1s40 s GLU 143 CO 0.00 0.19 1.16 -1.25 -0.49 0.00 0.00 175.26 174.87 1s40 s PRO 144 N 0.38 3.96 -0.44 0.39 0.04 -1.26 -0.89 135.00 137.18 1s40 s PRO 144 Ca 0.36 1.81 0.09 0.00 0.04 0.00 0.00 61.00 63.29 1s40 s PRO 144 Cb -0.18 -2.58 0.32 0.00 0.04 0.00 0.00 34.50 32.09 1s40 s PRO 144 CO 0.19 -0.39 0.73 0.28 0.04 0.00 0.00 177.00 177.85 1s40 n VAL 145 N -0.11 0.58 0.00 -0.36 0.31 0.33 -4.74 118.33 114.33 1s40 n VAL 145 Ca 0.05 -4.72 0.00 0.00 -0.01 0.00 0.00 64.34 59.67 1s40 n VAL 145 Cb 0.47 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 1s40 n VAL 145 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1s40 n PRO 146 N 0.47 0.00 0.00 5.55 -0.04 -1.24 -4.60 135.00 135.15 1s40 n PRO 146 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1s40 n PRO 146 Cb 0.56 -0.36 0.00 0.00 -0.04 0.00 0.00 33.50 33.66 1s40 n PRO 146 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1s40 n HIS 147 N -0.11 -0.03 1.86 0.54 8.25 -1.26 -4.68 115.22 119.80 1s40 n HIS 147 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 1s40 n HIS 147 Cb 0.00 0.02 0.68 0.00 1.12 0.00 0.00 29.99 31.81 1s40 n HIS 147 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1s40 n SER 148 N -1.53 0.34 0.00 0.41 2.88 -1.26 -3.76 113.62 110.70 1s40 n SER 148 Ca 0.00 -1.30 0.00 0.00 -1.33 0.00 0.00 58.87 56.24 1s40 n SER 148 Cb 0.00 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 1s40 n SER 148 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s40 n GLN 149 N -0.65 3.10 -0.26 -1.46 6.02 -1.26 -4.71 117.38 118.16 1s40 n GLN 149 Ca 0.19 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.21 1s40 n GLN 149 Cb 0.14 -0.94 0.12 0.00 1.02 0.00 0.00 30.24 30.58 1s40 n GLN 149 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 1s40 h ILE 150 N 0.00 0.29 0.00 5.09 2.10 -1.83 1.59 117.51 124.75 1s40 h ILE 150 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.92 1s40 h ILE 150 Cb 0.89 0.24 0.00 0.00 -1.09 0.00 0.00 36.82 36.86 1s40 h ILE 150 CO 0.00 0.01 0.00 -1.20 -1.08 0.00 0.00 178.15 175.88 1s40 n SER 151 N -5.42 0.00 -0.01 2.19 7.64 -1.26 0.08 113.62 116.83 1s40 n SER 151 Ca 0.12 -0.24 0.03 0.00 1.01 0.00 0.00 58.87 59.79 1s40 n SER 151 Cb 0.43 -0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.46 1s40 n SER 151 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1s40 n SER 152 N -1.14 0.34 -0.05 6.43 7.64 0.50 -4.63 113.62 122.71 1s40 n SER 152 Ca 0.10 -0.67 -0.05 0.00 1.01 0.00 0.00 58.87 59.26 1s40 n SER 152 Cb 0.09 0.95 -0.06 0.00 -1.01 0.00 0.00 64.21 64.18 1s40 n SER 152 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1s40 n ILE 153 N -1.06 0.61 -4.46 0.44 5.41 0.10 -5.05 119.36 115.35 1s40 n ILE 153 Ca 0.01 -0.33 -0.23 0.00 1.00 0.00 0.00 62.75 63.20 1s40 n ILE 153 Cb 0.09 -0.81 -0.09 0.00 -0.71 0.00 0.00 39.64 38.12 1s40 n ILE 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s40 s ALA 154 N -2.22 2.53 0.00 -1.39 0.00 0.11 -5.04 121.76 115.75 1s40 s ALA 154 Ca -0.08 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.25 1s40 s ALA 154 Cb 0.03 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.93 1s40 s ALA 154 CO 0.33 -0.35 0.00 0.43 0.00 0.00 0.00 175.76 176.17 1s40 n SER 155 N -0.96 0.00 -4.56 0.00 7.64 -1.26 -4.34 113.62 110.13 1s40 n SER 155 Ca -0.04 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.44 1s40 n SER 155 Cb 0.66 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.83 1s40 n SER 155 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1s40 s PRO 156 N 0.00 2.96 0.00 1.43 0.04 -1.26 -3.65 135.00 134.52 1s40 s PRO 156 Ca 0.00 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1s40 s PRO 156 Cb 0.00 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.27 1s40 s PRO 156 CO 0.00 -2.35 0.00 0.43 0.04 0.00 0.00 177.00 175.12 1s40 n SER 157 N 11.16 0.00 -0.04 6.66 7.64 -1.26 -4.38 113.62 133.41 1s40 n SER 157 Ca 0.16 0.00 0.23 0.00 1.01 0.00 0.00 58.87 60.27 1s40 n SER 157 Cb 0.50 0.00 0.72 0.00 -1.01 0.00 0.00 64.21 64.42 1s40 n SER 157 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1s40 h GLN 158 N 0.00 0.00 0.32 1.43 7.50 -1.97 -1.72 115.11 120.67 1s40 h GLN 158 Ca 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.13 1s40 h GLN 158 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 1s40 h GLN 158 CO 0.00 0.00 -0.15 0.00 -1.50 0.00 0.00 178.83 177.18 1s40 h GLU 160 N -0.70 0.69 -0.93 0.00 4.11 -1.63 -0.62 114.58 115.50 1s40 h GLU 160 Ca -0.04 -0.08 0.16 0.00 0.07 0.00 0.00 59.36 59.46 1s40 h GLU 160 Cb 0.48 -0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.50 1s40 h GLU 160 CO 0.07 0.55 0.54 0.45 0.07 0.00 0.00 179.01 180.68 1s40 h HIS 161 N 0.65 0.95 -0.40 2.06 3.86 -1.30 0.57 115.15 121.54 1s40 h HIS 161 Ca 0.17 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.31 1s40 h HIS 161 Cb 0.06 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 1s40 h HIS 161 CO -0.02 0.25 -0.16 -0.07 0.86 0.00 0.00 177.93 178.79 1s40 h LEU 162 N 0.74 0.83 -0.84 2.43 3.38 -0.45 -2.33 115.31 119.07 1s40 h LEU 162 Ca 0.51 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1s40 h LEU 162 Cb 0.72 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1s40 h LEU 162 CO -0.35 1.04 0.18 0.03 0.09 0.00 0.00 178.44 179.43 1s40 h ARG 163 N 0.62 1.04 0.00 1.13 2.47 0.67 -1.85 114.38 118.47 1s40 h ARG 163 Ca 0.09 -0.23 -0.03 0.00 -1.26 0.00 0.00 59.98 58.55 1s40 h ARG 163 Cb 0.71 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1s40 h ARG 163 CO 0.05 0.91 -0.16 -0.07 0.56 0.00 0.00 179.97 181.26 1s40 h LEU 164 N 1.00 0.00 -0.16 3.04 3.38 0.22 -2.81 115.31 119.98 1s40 h LEU 164 Ca 0.22 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 1s40 h LEU 164 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1s40 h LEU 164 CO -0.00 0.16 -0.12 0.15 0.09 0.00 0.00 178.44 178.71 1s40 h PHE 165 N 0.00 0.42 -0.64 1.13 3.04 -0.78 -2.88 116.94 117.23 1s40 h PHE 165 Ca -0.00 -0.12 0.03 0.00 3.98 0.00 0.00 57.97 61.86 1s40 h PHE 165 Cb 0.40 -0.09 -0.04 0.00 2.56 0.00 0.00 35.95 38.78 1s40 h PHE 165 CO 0.00 0.72 0.42 1.88 -2.02 0.00 0.00 178.31 179.31 1s40 h TYR 166 N 0.00 0.75 -0.58 0.41 0.05 -1.37 -1.83 116.97 114.40 1s40 h TYR 166 Ca 0.03 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 1s40 h TYR 166 Cb 0.63 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 38.09 1s40 h TYR 166 CO 0.08 0.44 0.23 1.96 -1.05 0.00 0.00 178.16 179.82 1s40 h GLN 167 N 0.78 0.87 0.27 4.88 1.08 -1.41 -2.03 115.11 119.55 1s40 h GLN 167 Ca 0.25 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1s40 h GLN 167 Cb 0.04 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 1s40 h GLN 167 CO -0.07 0.75 -0.13 -0.09 -0.95 0.00 0.00 178.83 178.35 1s40 h ARG 168 N 0.81 -0.35 -0.88 1.46 1.12 -1.16 -3.10 114.38 112.27 1s40 h ARG 168 Ca 0.19 0.02 0.14 0.00 -1.11 0.00 0.00 59.98 59.23 1s40 h ARG 168 Cb 0.21 0.08 -0.07 0.00 -0.01 0.00 0.00 29.97 30.18 1s40 h ARG 168 CO -0.02 -0.03 0.57 0.00 -3.11 0.00 0.00 179.97 177.39 1s40 h ALA 169 N -0.11 1.85 -0.89 2.80 0.00 -1.35 1.22 119.26 122.79 1s40 h ALA 169 Ca -0.04 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1s40 h ALA 169 Cb 0.48 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1s40 h ALA 169 CO 0.06 -0.09 0.54 0.74 0.00 0.00 0.00 179.25 180.50 1s40 h PHE 170 N 0.67 1.00 0.00 0.00 -1.00 -1.29 0.70 116.94 117.01 1s40 h PHE 170 Ca 0.44 0.03 -0.23 0.00 2.81 0.00 0.00 57.97 61.02 1s40 h PHE 170 Cb 0.73 -0.32 -0.04 0.00 3.61 0.00 0.00 35.95 39.93 1s40 h PHE 170 CO -0.00 0.47 -2.23 1.63 -1.61 0.00 0.00 178.31 176.57 1s40 n LYS 171 N -4.64 0.68 -0.09 1.51 5.02 -0.42 -4.16 118.16 116.06 1s40 n LYS 171 Ca 0.14 -0.07 -0.18 0.00 -2.02 0.00 0.00 58.31 56.18 1s40 n LYS 171 Cb 0.23 -1.53 -0.12 0.00 -0.02 0.00 0.00 35.03 33.59 1s40 n LYS 171 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1s40 h ARG 172 N 0.00 0.00 0.00 1.97 2.43 0.16 -3.32 114.38 115.62 1s40 h ARG 172 Ca -0.35 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1s40 h ARG 172 Cb 1.79 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.35 1s40 h ARG 172 CO 0.02 1.00 0.25 0.97 -1.51 0.00 0.00 179.97 180.70 1s40 h ILE 173 N -0.99 0.00 0.00 1.20 6.09 -1.00 -3.46 117.51 119.35 1s40 h ILE 173 Ca -0.18 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 1s40 h ILE 173 Cb 1.16 0.53 0.00 0.00 0.47 0.00 0.00 36.82 38.99 1s40 h ILE 173 CO -0.11 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.58 1s40 n GLY 174 N -1.24 1.70 0.17 8.18 0.00 -1.25 -4.74 105.19 108.01 1s40 n GLY 174 Ca -0.02 -1.12 0.02 0.00 0.00 0.00 0.00 46.02 44.91 1s40 n GLY 174 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s40 h GLU 175 N 0.00 0.00 -0.17 1.61 5.08 -1.81 -2.80 114.58 116.49 1s40 h GLU 175 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1s40 h GLU 175 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1s40 h GLU 175 CO 0.00 0.45 -0.26 1.03 -1.00 0.00 0.00 179.01 179.23 1s40 h SER 176 N 0.00 0.32 -0.11 1.42 0.87 -1.94 -3.07 113.55 111.05 1s40 h SER 176 Ca -0.00 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.41 1s40 h SER 176 Cb 0.81 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1s40 h SER 176 CO 0.06 0.58 -0.12 0.00 -0.53 0.00 0.00 176.83 176.82 1s40 h ALA 177 N 1.45 0.16 -0.03 6.23 0.00 -1.79 -2.71 119.26 122.56 1s40 h ALA 177 Ca 0.04 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1s40 h ALA 177 Cb 0.61 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1s40 h ALA 177 CO 0.04 0.01 0.31 0.82 0.00 0.00 0.00 179.25 180.44 1s40 h ILE 178 N -0.15 0.04 0.00 0.00 2.04 -1.45 0.62 117.51 118.61 1s40 h ILE 178 Ca 0.02 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.71 1s40 h ILE 178 Cb 0.65 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1s40 h ILE 178 CO 0.03 0.00 -0.80 -1.28 0.00 0.00 0.00 178.15 176.10 1s40 h SER 179 N 0.00 0.00 0.21 1.72 0.87 -1.42 0.92 113.55 115.84 1s40 h SER 179 Ca 0.02 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.47 1s40 h SER 179 Cb 0.64 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1s40 h SER 179 CO -0.00 0.80 -0.39 0.03 -0.53 0.00 0.00 176.83 176.74 1s40 h ARG 180 N 0.00 0.25 -0.68 2.24 2.47 0.25 -3.31 114.38 115.61 1s40 h ARG 180 Ca -0.01 -0.12 -0.29 0.00 -1.26 0.00 0.00 59.98 58.30 1s40 h ARG 180 Cb 1.50 -0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 29.42 1s40 h ARG 180 CO 0.10 0.61 -1.13 0.66 0.56 0.00 0.00 179.97 180.78 1s40 n TYR 181 N -4.04 1.09 -0.18 3.04 4.02 -1.15 -4.94 117.16 115.00 1s40 n TYR 181 Ca -0.01 -2.43 -0.02 0.00 -0.01 0.00 0.00 57.90 55.43 1s40 n TYR 181 Cb 0.47 -0.24 0.06 0.00 -0.02 0.00 0.00 39.34 39.61 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 2.75 -0.20 -0.50 -0.72 -0.00 0.78 0.35 116.94 119.40 1s40 h PHE 182 Ca -0.13 0.05 -0.08 0.00 -0.00 0.00 0.00 57.97 57.81 1s40 h PHE 182 Cb 1.23 0.18 -0.02 0.00 -0.00 0.00 0.00 35.95 37.33 1s40 h PHE 182 CO 0.48 -0.21 -0.01 1.05 -0.00 0.00 0.00 178.31 179.63 1s40 h GLU 183 N 0.04 0.84 -0.11 6.09 4.11 -1.92 0.26 114.58 123.89 1s40 h GLU 183 Ca 0.27 -0.24 -0.13 0.00 0.07 0.00 0.00 59.36 59.33 1s40 h GLU 183 Cb 0.42 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1s40 h GLU 183 CO -0.53 0.85 -0.51 0.93 0.07 0.00 0.00 179.01 179.81 1s40 h GLU 184 N 0.78 0.30 0.21 1.06 5.08 -1.45 -3.20 114.58 117.36 1s40 h GLU 184 Ca 0.15 -0.18 -0.34 0.00 -1.00 0.00 0.00 59.36 57.99 1s40 h GLU 184 Cb 0.49 0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.77 1s40 h GLU 184 CO 0.02 0.75 -1.65 -0.92 -1.00 0.00 0.00 179.01 176.21 1s40 h TYR 185 N 0.24 0.81 0.00 4.33 5.03 -0.08 -3.30 116.97 124.01 1s40 h TYR 185 Ca 0.01 -0.59 0.00 0.00 2.58 0.00 0.00 58.73 60.73 1s40 h TYR 185 Cb 0.99 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.24 1s40 h TYR 185 CO 0.02 1.64 0.00 2.89 -1.32 0.00 0.00 178.16 181.39 1s40 n ARG 186 N -3.65 0.01 0.00 1.82 1.85 0.88 -4.80 116.66 112.78 1s40 n ARG 186 Ca -0.22 0.40 0.00 0.00 -1.00 0.00 0.00 57.85 57.03 1s40 n ARG 186 Cb 1.08 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.99 1s40 n ARG 186 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1s40 n ARG 187 N -1.47 0.00 -0.76 2.89 0.63 -1.21 0.16 116.66 116.91 1s40 n ARG 187 Ca 0.01 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.99 1s40 n ARG 187 Cb 0.05 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.06 1s40 n ARG 187 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1s40 n PHE 188 N 0.00 0.00 -4.19 -0.14 7.35 -1.26 -5.00 117.46 114.23 1s40 n PHE 188 Ca 0.00 -0.84 -0.25 0.00 -0.76 0.00 0.00 57.45 55.60 1s40 n PHE 188 Cb 0.00 -0.17 -0.07 0.00 0.35 0.00 0.00 39.48 39.60 1s40 n PHE 188 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 1s40 s PHE 189 N -1.62 2.91 0.00 -5.13 5.36 0.42 -5.00 117.98 114.92 1s40 s PHE 189 Ca 0.29 -0.13 -0.00 0.00 -0.96 0.00 0.00 56.93 56.13 1s40 s PHE 189 Cb 0.30 -1.37 -0.02 0.00 -0.34 0.00 0.00 43.02 41.59 1s40 s PHE 189 CO -0.07 0.54 2.07 -0.35 -1.46 0.00 0.00 175.22 175.95 1s40 n PRO 190 N -0.48 1.05 0.00 10.12 -0.04 -1.26 -4.83 135.00 139.55 1s40 n PRO 190 Ca -0.08 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1s40 n PRO 190 Cb 0.56 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 1s40 n PRO 190 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57