#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s40 h MET 6 N 0.00 0.00 -5.21 1.64 4.05 -2.11 -3.41 114.93 109.89 1s40 h MET 6 Ca 0.00 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 1s40 h MET 6 Cb 0.00 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 1s40 h MET 6 CO 0.00 0.42 0.43 0.00 0.23 0.00 0.00 176.91 177.99 1s40 n ALA 7 N -2.31 0.46 -2.91 0.39 0.00 -1.26 -4.83 120.51 110.06 1s40 n ALA 7 Ca -0.00 -1.42 0.00 0.00 0.00 0.00 0.00 53.44 52.02 1s40 n ALA 7 Cb 0.54 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 17.02 1s40 n ALA 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1s40 n ARG 8 N 7.84 3.60 -0.53 0.00 5.12 -1.26 -5.06 116.66 126.36 1s40 n ARG 8 Ca 0.47 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 56.46 1s40 n ARG 8 Cb 0.39 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.67 1s40 n ARG 8 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1s40 n LYS 9 N -0.02 -1.08 0.00 5.56 4.01 -1.26 -4.99 118.16 120.38 1s40 n LYS 9 Ca 0.00 0.71 0.00 0.00 -0.51 0.00 0.00 58.31 58.51 1s40 n LYS 9 Cb 0.00 -1.31 0.00 0.00 -0.51 0.00 0.00 35.03 33.21 1s40 n LYS 9 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1s40 n ASP 10 N -4.20 0.00 -2.83 4.39 5.68 -1.26 -5.14 116.55 113.19 1s40 n ASP 10 Ca 0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.17 1s40 n ASP 10 Cb 0.24 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.31 1s40 n ASP 10 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1s40 n PRO 11 N 0.00 -0.86 -3.67 0.11 -0.04 -1.26 -4.95 135.00 124.33 1s40 n PRO 11 Ca 0.00 -0.83 -0.13 0.00 -0.04 0.00 0.00 63.50 62.50 1s40 n PRO 11 Cb 0.00 -0.60 -0.13 0.00 -0.04 0.00 0.00 33.50 32.73 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 -2.13 -0.43 -0.02 0.52 2.01 -1.26 -3.54 115.64 110.79 1s40 s THR 12 Ca 0.31 0.26 0.06 0.00 0.31 0.00 0.00 61.69 62.64 1s40 s THR 12 Cb -0.01 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 1s40 s THR 12 CO 0.22 0.11 -0.21 0.27 -0.69 0.00 0.00 174.62 174.32 1s40 s ILE 13 N 2.39 2.48 -1.53 1.82 -4.36 -1.24 -5.00 121.20 115.76 1s40 s ILE 13 Ca 0.00 -1.00 -0.09 0.00 -0.26 0.00 0.00 60.65 59.30 1s40 s ILE 13 Cb -0.12 -1.93 -0.02 0.00 1.25 0.00 0.00 42.46 41.64 1s40 s ILE 13 CO -0.09 0.55 2.76 1.21 0.24 0.00 0.00 174.94 179.60 1s40 n GLU 14 N 2.26 3.95 0.00 0.37 2.13 -1.26 -4.75 120.64 123.35 1s40 n GLU 14 Ca -0.16 -2.61 0.00 0.00 0.66 0.00 0.00 57.16 55.05 1s40 n GLU 14 Cb 0.52 -2.76 0.00 0.00 0.27 0.00 0.00 31.44 29.46 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 3.10 0.00 0.33 4.31 3.01 -1.26 -3.08 117.46 123.87 1s40 n PHE 15 Ca 0.73 0.00 0.14 0.00 1.01 0.00 0.00 57.45 59.33 1s40 n PHE 15 Cb 0.24 0.00 0.76 0.00 -0.01 0.00 0.00 39.48 40.47 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 -2.88 0.68 0.00 0.00 1.13 -1.18 -4.80 117.38 110.33 1s40 n GLN 17 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 1s40 n GLN 17 Cb 0.43 -1.18 0.00 0.00 0.11 0.00 0.00 30.24 29.60 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 -0.68 0.00 0.00 1.08 7.99 0.16 -4.80 117.00 120.76 1s40 n LEU 18 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 1s40 n LEU 18 Cb 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.34 1s40 n LEU 18 CO 0.04 -0.24 0.00 0.61 -1.51 0.00 0.00 177.39 176.29 1s40 n GLY 19 N 0.00 -0.27 0.00 -0.72 0.00 -1.26 -5.11 105.19 97.83 1s40 n GLY 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.06 117.00 111.67 1s40 n LEU 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1s40 n LEU 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1s40 n LEU 20 CO 0.00 -1.06 0.00 0.47 0.00 0.00 0.00 177.39 176.80 1s40 n ASP 21 N -1.30 0.00 0.00 1.96 8.00 -1.26 -5.05 116.55 118.90 1s40 n ASP 21 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1s40 n ASP 21 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1s40 n ASP 21 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1s40 n THR 22 N 0.00 0.00 1.05 -3.53 -1.04 -1.26 -4.21 114.28 105.29 1s40 n THR 22 Ca 0.00 0.07 0.09 0.00 -2.04 0.00 0.00 64.05 62.17 1s40 n THR 22 Cb 0.00 -0.15 0.51 0.00 -1.82 0.00 0.00 70.33 68.87 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 -0.24 0.00 0.00 -1.42 7.35 -1.26 -4.25 117.46 117.64 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 -0.10 0.00 0.00 0.35 0.00 0.00 39.48 39.73 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 -1.10 2.20 0.00 -4.13 0.00 -1.26 -4.83 120.64 111.52 1s40 n GLU 24 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.28 1s40 n GLU 24 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.53 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 -0.17 0.00 -3.61 6.31 -1.04 -1.26 -4.18 114.28 110.33 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 0.00 2.33 -4.93 -2.82 5.02 0.06 -4.92 118.16 112.89 1s40 n LYS 26 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1s40 n LYS 26 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 34.86 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 -0.26 1.82 0.18 2.13 2.02 -1.26 -1.22 117.35 120.77 1s40 s TYR 27 Ca 0.00 -0.35 -0.19 0.00 -0.37 0.00 0.00 57.07 56.16 1s40 s TYR 27 Cb 0.00 -1.16 0.04 0.00 -0.40 0.00 0.00 41.96 40.44 1s40 s TYR 27 CO 0.00 -0.01 0.55 0.96 -1.57 0.00 0.00 175.55 175.48 1s40 s ILE 28 N -0.54 0.02 -0.24 2.71 -4.36 0.03 -4.85 121.20 113.98 1s40 s ILE 28 Ca 0.08 -0.52 -0.06 0.00 -0.26 0.00 0.00 60.65 59.88 1s40 s ILE 28 Cb -0.08 -1.38 -0.02 0.00 1.25 0.00 0.00 42.46 42.23 1s40 s ILE 28 CO -0.00 -0.10 0.04 -0.89 0.24 0.00 0.00 174.94 174.23 1s40 s THR 29 N -3.83 4.03 -0.04 8.37 2.01 -1.23 0.17 115.64 125.12 1s40 s THR 29 Ca 0.06 -0.27 0.04 0.00 0.31 0.00 0.00 61.69 61.83 1s40 s THR 29 Cb -0.01 -2.87 -0.00 0.00 0.01 0.00 0.00 72.50 69.62 1s40 s THR 29 CO -0.06 0.36 -0.17 -0.04 -0.69 0.00 0.00 174.62 174.02 1s40 s MET 30 N 1.57 1.75 0.71 4.92 1.00 -0.52 -3.72 119.30 125.02 1s40 s MET 30 Ca 0.06 -0.61 -0.08 0.00 0.00 0.00 0.00 55.69 55.06 1s40 s MET 30 Cb -0.15 -1.53 0.05 0.00 0.00 0.00 0.00 34.83 33.20 1s40 s MET 30 CO 0.02 0.25 1.05 -0.06 0.00 0.00 0.00 175.02 176.28 1s40 s PHE 31 N 0.00 3.01 -0.29 -0.03 0.40 -1.26 -3.46 117.98 116.36 1s40 s PHE 31 Ca -0.03 0.60 -0.20 0.00 -0.60 0.00 0.00 56.93 56.71 1s40 s PHE 31 Cb -0.11 -3.20 0.14 0.00 0.51 0.00 0.00 43.02 40.36 1s40 s PHE 31 CO 0.02 -1.40 1.01 0.20 0.70 0.00 0.00 175.22 175.75 1s40 s GLY 32 N -4.49 -0.06 -0.04 4.36 0.00 -1.17 -4.11 107.32 101.81 1s40 s GLY 32 Ca 0.60 2.96 0.07 0.00 0.00 0.00 0.00 44.72 48.35 1s40 s GLY 32 CO 0.46 2.27 1.11 1.15 0.00 0.00 0.00 173.10 178.10 1s40 n MET 33 N 3.07 2.10 -2.34 2.90 0.00 -1.14 -2.72 117.12 118.98 1s40 n MET 33 Ca -0.16 -1.15 -0.01 0.00 0.00 0.00 0.00 57.70 56.38 1s40 n MET 33 Cb 0.57 -1.50 -0.01 0.00 0.00 0.00 0.00 33.22 32.28 1s40 n MET 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1s40 n LEU 34 N 0.31 -3.59 -0.07 3.17 7.94 -1.24 -4.03 117.00 119.50 1s40 n LEU 34 Ca 0.10 1.78 -0.13 0.00 -1.11 0.00 0.00 56.01 56.66 1s40 n LEU 34 Cb 0.43 -2.31 -0.14 0.00 0.53 0.00 0.00 43.42 41.93 1s40 n LEU 34 CO 0.10 -2.47 -0.96 0.52 -1.11 0.00 0.00 177.39 173.46 1s40 n VAL 35 N 2.00 1.54 -3.64 1.96 0.31 0.11 -4.09 118.33 116.52 1s40 n VAL 35 Ca -0.05 -0.75 -0.06 0.00 -0.01 0.00 0.00 64.34 63.48 1s40 n VAL 35 Cb 0.08 -1.03 -0.02 0.00 -0.91 0.00 0.00 33.84 31.96 1s40 n VAL 35 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1s40 s SER 36 N -6.12 -0.26 -0.05 4.52 0.01 -1.13 -2.16 113.70 108.50 1s40 s SER 36 Ca -0.16 -0.22 -0.02 0.00 1.31 0.00 0.00 55.95 56.86 1s40 s SER 36 Cb 0.07 0.44 0.04 0.00 0.21 0.00 0.00 66.02 66.78 1s40 s SER 36 CO 0.77 -0.78 0.12 0.00 0.41 0.00 0.00 173.24 173.76 1s40 s SER 38 N 1.15 5.00 0.00 0.00 0.15 0.96 -4.92 113.70 116.04 1s40 s SER 38 Ca -0.09 -0.04 0.20 0.00 0.70 0.00 0.00 55.95 56.72 1s40 s SER 38 Cb -0.12 -1.73 -0.14 0.00 -1.71 0.00 0.00 66.02 62.32 1s40 s SER 38 CO -0.05 0.22 0.92 0.49 1.20 0.00 0.00 173.24 176.02 1s40 n PHE 39 N 3.23 0.00 0.05 3.44 3.01 -1.26 -1.22 117.46 124.71 1s40 n PHE 39 Ca -0.17 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.21 1s40 n PHE 39 Cb 0.53 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.95 1s40 n PHE 39 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 1s40 h ASP 40 N 0.87 -0.70 -1.46 4.37 1.82 -1.94 -3.40 116.42 115.99 1s40 h ASP 40 Ca 0.00 0.07 -0.75 0.00 -0.39 0.00 0.00 57.03 55.97 1s40 h ASP 40 Cb 0.57 0.26 0.01 0.00 0.68 0.00 0.00 39.33 40.84 1s40 h ASP 40 CO 0.00 -0.25 0.93 0.29 -1.61 0.00 0.00 179.24 178.60 1s40 n LYS 41 N -3.77 1.06 0.05 0.28 4.76 -1.26 -4.78 118.16 114.49 1s40 n LYS 41 Ca -0.04 0.38 0.11 0.00 -2.87 0.00 0.00 58.31 55.89 1s40 n LYS 41 Cb 0.18 -2.08 0.44 0.00 -1.84 0.00 0.00 35.03 31.74 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 5.53 0.09 0.05 1.97 -0.04 -1.26 -2.73 135.00 138.60 1s40 n PRO 42 Ca 0.28 0.23 0.13 0.00 -0.04 0.00 0.00 63.50 64.10 1s40 n PRO 42 Cb 0.12 -1.64 0.47 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 -1.61 2.42 0.00 0.55 0.00 -1.26 -4.96 120.51 115.65 1s40 n ALA 43 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1s40 n ALA 43 Cb 0.26 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 -1.90 0.00 -3.78 0.00 1.16 -1.11 -4.56 117.46 107.28 1s40 n PHE 44 Ca 0.06 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.28 1s40 n PHE 44 Cb 0.39 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.14 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 3.31 -0.37 1.97 1.09 -1.26 -4.38 121.20 118.56 1s40 s ILE 45 Ca 0.00 -1.99 -0.42 0.00 -1.10 0.00 0.00 60.65 57.14 1s40 s ILE 45 Cb 0.00 -3.24 -0.17 0.00 -1.06 0.00 0.00 42.46 37.99 1s40 s ILE 45 CO 0.00 -0.65 1.81 -1.20 -0.10 0.00 0.00 174.94 174.81 1s40 n SER 46 N 4.61 1.85 -4.19 3.58 7.64 -0.36 -4.54 113.62 122.21 1s40 n SER 46 Ca -0.03 0.97 -0.33 0.00 1.01 0.00 0.00 58.87 60.49 1s40 n SER 46 Cb 0.41 -1.06 -0.16 0.00 -1.01 0.00 0.00 64.21 62.40 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 4.19 2.73 -0.15 1.43 0.08 -0.21 -0.02 117.98 126.02 1s40 s PHE 47 Ca 1.04 -1.31 0.01 0.00 0.12 0.00 0.00 56.93 56.80 1s40 s PHE 47 Cb -1.21 -1.87 0.00 0.00 -0.57 0.00 0.00 43.02 39.37 1s40 s PHE 47 CO 0.68 -0.61 -0.18 0.08 -0.10 0.00 0.00 175.22 175.09 1s40 s VAL 48 N 0.93 2.44 0.20 -0.44 1.01 -1.03 0.84 120.40 124.36 1s40 s VAL 48 Ca -0.04 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 1s40 s VAL 48 Cb -0.15 -2.01 0.04 0.00 0.00 0.00 0.00 36.38 34.26 1s40 s VAL 48 CO -0.04 0.53 0.60 2.22 0.00 0.00 0.00 175.10 178.41 1s40 n PHE 49 N 4.11 -1.53 -3.63 5.22 1.16 -1.03 0.07 117.46 121.83 1s40 n PHE 49 Ca -0.19 -1.05 -0.05 0.00 -1.87 0.00 0.00 57.45 54.28 1s40 n PHE 49 Cb 0.52 0.52 0.02 0.00 -1.61 0.00 0.00 39.48 38.93 1s40 n PHE 49 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 1s40 n SER 50 N -1.21 -1.51 0.00 5.98 3.41 -1.26 -1.00 113.62 118.02 1s40 n SER 50 Ca -0.04 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 1s40 n SER 50 Cb 0.39 2.50 0.00 0.00 -0.26 0.00 0.00 64.21 66.84 1s40 n SER 50 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1s40 n ASP 51 N -1.29 0.00 0.00 4.04 -0.08 -1.26 -2.88 116.55 115.09 1s40 n ASP 51 Ca -0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 1s40 n ASP 51 Cb 0.42 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.88 1s40 n ASP 51 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1s40 n PHE 52 N -1.14 0.00 -2.17 -0.67 7.35 -1.26 -4.93 117.46 114.63 1s40 n PHE 52 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1s40 n PHE 52 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 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 -3.81 -2.13 -2.24 -1.26 -4.97 114.28 99.87 1s40 n THR 53 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 1s40 n THR 53 Cb 0.00 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.06 1s40 n THR 53 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1s40 s LYS 54 N 1.40 0.96 0.45 -0.78 -2.85 -1.26 -4.62 119.74 113.03 1s40 s LYS 54 Ca 0.00 -0.37 -0.21 0.00 -1.00 0.00 0.00 55.97 54.39 1s40 s LYS 54 Cb 0.00 -1.85 -0.09 0.00 -2.06 0.00 0.00 37.83 33.82 1s40 s LYS 54 CO 0.00 -0.49 1.01 1.21 0.10 0.00 0.00 175.35 177.17 1s40 s ASN 55 N 1.78 6.65 -0.00 0.03 3.84 -1.15 -3.45 114.94 122.64 1s40 s ASN 55 Ca 0.01 1.86 0.04 0.00 0.21 0.00 0.00 52.86 54.98 1s40 s ASN 55 Cb -0.15 -2.56 -0.05 0.00 -0.55 0.00 0.00 41.25 37.94 1s40 s ASN 55 CO -0.07 -0.56 0.15 -0.67 -2.79 0.00 0.00 177.10 173.15 1s40 n ASP 56 N -0.65 1.25 -4.89 -4.21 -0.08 -1.26 -4.81 116.55 101.90 1s40 n ASP 56 Ca 0.08 -0.43 -0.29 0.00 -1.51 0.00 0.00 54.79 52.63 1s40 n ASP 56 Cb 0.52 1.05 0.07 0.00 2.34 0.00 0.00 41.12 45.10 1s40 n ASP 56 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1s40 s ILE 57 N -1.62 2.71 -0.14 5.18 1.01 -1.26 -4.99 121.20 122.09 1s40 s ILE 57 Ca 0.01 0.22 0.18 0.00 0.00 0.00 0.00 60.65 61.06 1s40 s ILE 57 Cb 0.03 -3.23 -0.14 0.00 0.01 0.00 0.00 42.46 39.14 1s40 s ILE 57 CO 0.16 -0.30 0.78 0.55 0.00 0.00 0.00 174.94 176.14 1s40 n VAL 58 N -3.16 1.02 0.00 2.92 3.14 -1.26 -4.98 118.33 116.01 1s40 n VAL 58 Ca 0.07 -0.66 0.00 0.00 -2.96 0.00 0.00 64.34 60.79 1s40 n VAL 58 Cb 0.59 -0.60 0.00 0.00 -1.06 0.00 0.00 33.84 32.77 1s40 n VAL 58 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1s40 n GLN 59 N -2.80 0.00 -4.71 1.45 -0.06 -1.26 -4.75 117.38 105.25 1s40 n GLN 59 Ca -0.09 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.59 1s40 n GLN 59 Cb 0.79 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.89 1s40 n GLN 59 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 1s40 s ASN 60 N -2.91 4.08 -0.40 1.69 -0.87 -1.26 -4.10 114.94 111.16 1s40 s ASN 60 Ca 0.00 -1.57 -0.29 0.00 -1.57 0.00 0.00 52.86 49.43 1s40 s ASN 60 Cb 0.00 0.28 0.01 0.00 -0.02 0.00 0.00 41.25 41.52 1s40 s ASN 60 CO 0.00 -0.75 1.38 -0.47 -2.57 0.00 0.00 177.10 174.68 1s40 s TYR 61 N -2.83 2.47 -0.14 2.20 5.04 -1.26 -4.88 117.35 117.94 1s40 s TYR 61 Ca 0.14 0.70 -0.29 0.00 -2.44 0.00 0.00 57.07 55.18 1s40 s TYR 61 Cb 0.04 -4.27 -0.06 0.00 0.35 0.00 0.00 41.96 38.02 1s40 s TYR 61 CO 0.07 -1.90 2.09 -0.51 -1.34 0.00 0.00 175.55 173.96 1s40 s LEU 62 N 5.22 3.79 0.00 6.97 1.43 -1.26 -4.94 118.68 129.88 1s40 s LEU 62 Ca 0.60 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 1s40 s LEU 62 Cb -0.14 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1s40 s LEU 62 CO 0.31 -1.62 0.01 0.00 0.23 0.00 0.00 176.35 175.28 1s40 n TYR 63 N 10.13 0.37 -3.77 0.29 9.36 -1.26 -4.81 117.16 127.48 1s40 n TYR 63 Ca 0.26 -1.02 -0.23 0.00 3.32 0.00 0.00 57.90 60.23 1s40 n TYR 63 Cb 0.44 -0.14 0.02 0.00 -0.63 0.00 0.00 39.34 39.03 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 -1.18 -1.52 0.00 2.98 9.92 -1.26 -4.76 116.55 120.73 1s40 n ASP 64 Ca -0.08 -0.84 0.00 0.00 -0.53 0.00 0.00 54.79 53.34 1s40 n ASP 64 Cb 0.26 -3.89 0.00 0.00 -0.64 0.00 0.00 41.12 36.86 1s40 n ASP 64 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1s40 n ARG 65 N -4.35 0.00 -0.82 -1.24 1.85 -1.26 -4.44 116.66 106.40 1s40 n ARG 65 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.59 1s40 n ARG 65 Cb 0.66 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.07 1s40 n ARG 65 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1s40 n TYR 66 N -2.01 0.00 -1.17 2.89 4.01 -1.26 -4.70 117.16 114.92 1s40 n TYR 66 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 1s40 n TYR 66 Cb 0.00 -1.71 -0.06 0.00 -0.31 0.00 0.00 39.34 37.26 1s40 n TYR 66 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1s40 n LEU 67 N 0.00 -0.71 0.28 7.72 0.00 -1.26 -4.57 117.00 118.46 1s40 n LEU 67 Ca 0.00 1.65 -0.11 0.00 0.00 0.00 0.00 56.01 57.55 1s40 n LEU 67 Cb 0.29 -2.84 -0.06 0.00 0.00 0.00 0.00 43.42 40.82 1s40 n LEU 67 CO 0.00 -1.62 0.52 0.40 0.00 0.00 0.00 177.39 176.70 1s40 h ILE 68 N -1.31 0.00 -2.33 1.96 2.04 -1.95 -3.41 117.51 112.51 1s40 h ILE 68 Ca -0.13 0.00 -0.57 0.00 1.00 0.00 0.00 64.86 65.16 1s40 h ILE 68 Cb 1.03 0.00 0.05 0.00 -0.74 0.00 0.00 36.82 37.16 1s40 h ILE 68 CO 0.05 0.00 0.96 0.47 0.00 0.00 0.00 178.15 179.63 1s40 n ASP 69 N -4.05 3.50 -1.55 1.72 9.92 -1.26 -4.83 116.55 119.99 1s40 n ASP 69 Ca -0.09 1.04 -0.06 0.00 -0.53 0.00 0.00 54.79 55.14 1s40 n ASP 69 Cb 0.29 -1.46 0.16 0.00 -0.64 0.00 0.00 41.12 39.47 1s40 n ASP 69 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1s40 n TYR 70 N 4.63 1.56 0.01 1.24 4.02 -1.26 -4.15 117.16 123.21 1s40 n TYR 70 Ca 0.18 -0.93 -0.03 0.00 -0.01 0.00 0.00 57.90 57.12 1s40 n TYR 70 Cb 0.32 -0.53 -0.01 0.00 -0.02 0.00 0.00 39.34 39.10 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 -0.12 0.14 0.27 -0.72 2.13 -1.26 -4.72 120.64 116.36 1s40 n GLU 71 Ca 0.27 0.05 0.15 0.00 0.66 0.00 0.00 57.16 58.30 1s40 n GLU 71 Cb 1.03 -0.74 0.75 0.00 0.27 0.00 0.00 31.44 32.76 1s40 n GLU 71 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1s40 h ASN 72 N -0.25 0.00 -5.91 4.31 4.21 -1.96 -3.48 115.58 112.50 1s40 h ASN 72 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 1s40 h ASN 72 Cb 0.30 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.50 1s40 h ASN 72 CO -0.01 0.08 -0.65 0.29 -1.29 0.00 0.00 177.43 175.86 1s40 n LYS 73 N -3.33 -0.53 -0.92 0.81 5.02 -1.26 -4.65 118.16 113.30 1s40 n LYS 73 Ca -0.01 0.84 -0.30 0.00 -2.02 0.00 0.00 58.31 56.82 1s40 n LYS 73 Cb 0.26 -0.86 -0.00 0.00 -0.02 0.00 0.00 35.03 34.41 1s40 n LYS 73 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1s40 n LEU 74 N 1.60 -1.95 -4.96 -0.35 0.00 -1.26 -4.93 117.00 105.15 1s40 n LEU 74 Ca 0.00 0.59 -0.23 0.00 0.00 0.00 0.00 56.01 56.37 1s40 n LEU 74 Cb 0.32 -0.63 0.05 0.00 0.00 0.00 0.00 43.42 43.16 1s40 n LEU 74 CO 0.00 -2.91 0.45 -1.83 0.00 0.00 0.00 177.39 173.10 1s40 s GLU 75 N -0.71 2.45 0.00 1.96 -1.05 -1.26 -4.96 118.70 115.13 1s40 s GLU 75 Ca 0.42 -0.58 0.15 0.00 -0.15 0.00 0.00 54.97 54.81 1s40 s GLU 75 Cb -0.47 -2.38 0.74 0.00 -0.44 0.00 0.00 34.13 31.58 1s40 s GLU 75 CO 0.44 -0.88 1.50 1.28 0.95 0.00 0.00 175.26 178.55 1s40 n LEU 76 N -2.53 0.61 -2.76 1.83 4.77 -1.26 -3.94 117.00 113.72 1s40 n LEU 76 Ca 0.08 -0.27 -0.31 0.00 -0.03 0.00 0.00 56.01 55.47 1s40 n LEU 76 Cb 0.60 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.64 1s40 n LEU 76 CO 0.48 0.14 0.64 0.59 -1.33 0.00 0.00 177.39 177.90 1s40 n ASN 77 N -0.32 5.62 0.21 -1.43 5.03 -1.26 -4.72 115.26 118.39 1s40 n ASN 77 Ca 0.12 -3.74 0.00 0.00 0.87 0.00 0.00 54.58 51.82 1s40 n ASN 77 Cb 0.14 -0.69 0.00 0.00 -1.02 0.00 0.00 39.78 38.21 1s40 n ASN 77 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1s40 n GLU 78 N -0.43 0.00 -0.24 3.52 2.13 -1.25 -2.94 120.64 121.42 1s40 n GLU 78 Ca 0.42 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.24 1s40 n GLU 78 Cb 0.47 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.18 1s40 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s40 n GLY 79 N -1.04 4.81 3.74 8.31 0.00 -1.26 -4.36 105.19 115.39 1s40 n GLY 79 Ca 0.00 -2.06 -0.02 0.00 0.00 0.00 0.00 46.02 43.94 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 1.22 -0.08 -0.37 1.61 -0.71 -0.17 -4.95 117.98 114.53 1s40 s PHE 80 Ca 0.00 -0.18 -0.13 0.00 -1.04 0.00 0.00 56.93 55.57 1s40 s PHE 80 Cb 0.00 0.62 0.00 0.00 -1.21 0.00 0.00 43.02 42.44 1s40 s PHE 80 CO 0.00 -0.69 0.25 0.21 -1.34 0.00 0.00 175.22 173.66 1s40 s LYS 81 N -2.90 3.17 0.30 1.99 2.20 -1.26 -2.45 119.74 120.79 1s40 s LYS 81 Ca 0.14 -0.87 0.07 0.00 -0.36 0.00 0.00 55.97 54.96 1s40 s LYS 81 Cb 0.00 -3.85 -0.03 0.00 -1.51 0.00 0.00 37.83 32.44 1s40 s LYS 81 CO 0.01 -0.60 0.25 0.00 -0.36 0.00 0.00 175.35 174.64 1s40 s ALA 82 N 1.67 3.72 0.06 3.13 0.00 0.25 -4.48 121.76 126.11 1s40 s ALA 82 Ca 0.05 -1.56 -0.03 0.00 0.00 0.00 0.00 51.96 50.42 1s40 s ALA 82 Cb -0.18 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 1s40 s ALA 82 CO 0.09 0.11 0.03 0.96 0.00 0.00 0.00 175.76 176.95 1s40 s ILE 83 N -2.24 0.20 -0.19 0.00 -4.36 -1.13 -1.05 121.20 112.43 1s40 s ILE 83 Ca 0.37 -1.62 -0.14 0.00 -0.26 0.00 0.00 60.65 59.00 1s40 s ILE 83 Cb -0.07 -1.44 0.06 0.00 1.25 0.00 0.00 42.46 42.26 1s40 s ILE 83 CO 0.26 -0.89 0.49 0.00 0.24 0.00 0.00 174.94 175.04 1s40 s MET 84 N -3.82 0.54 0.07 0.37 0.23 -1.26 0.20 119.30 115.62 1s40 s MET 84 Ca 0.06 0.79 -0.31 0.00 -1.03 0.00 0.00 55.69 55.20 1s40 s MET 84 Cb 0.07 0.16 -0.17 0.00 -1.53 0.00 0.00 34.83 33.36 1s40 s MET 84 CO -0.10 -0.11 0.76 0.98 -2.03 0.00 0.00 175.02 174.52 1s40 n TYR 85 N 3.48 0.18 -0.37 3.16 9.36 -1.26 -4.34 117.16 127.38 1s40 n TYR 85 Ca -0.18 0.91 0.38 0.00 3.32 0.00 0.00 57.90 62.33 1s40 n TYR 85 Cb 0.56 -1.80 0.76 0.00 -0.63 0.00 0.00 39.34 38.23 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 1.97 0.00 -0.25 2.98 1.57 -1.93 0.90 116.57 121.81 1s40 h LYS 86 Ca -0.37 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.37 1s40 h LYS 86 Cb 1.27 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1s40 h LYS 86 CO 0.55 0.00 0.01 -0.97 -0.57 0.00 0.00 179.45 178.47 1s40 h ASN 87 N 0.00 0.42 0.70 0.86 -1.24 -1.99 0.32 115.58 114.66 1s40 h ASN 87 Ca 0.61 -0.29 -0.01 0.00 0.71 0.00 0.00 56.30 57.32 1s40 h ASN 87 Cb 2.46 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 41.39 1s40 h ASN 87 CO -0.01 0.61 -0.05 -0.61 -1.29 0.00 0.00 177.43 176.08 1s40 h GLN 88 N 0.22 0.00 0.05 6.67 5.75 0.42 -1.82 115.11 126.40 1s40 h GLN 88 Ca 0.07 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.44 1s40 h GLN 88 Cb 0.39 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.95 1s40 h GLN 88 CO 0.01 0.05 -0.55 0.35 -2.65 0.00 0.00 178.83 176.04 1s40 h PHE 89 N 0.00 0.46 -0.90 3.99 3.57 0.29 -2.44 116.94 121.91 1s40 h PHE 89 Ca -0.00 -0.28 0.05 0.00 3.53 0.00 0.00 57.97 61.27 1s40 h PHE 89 Cb 0.41 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.05 1s40 h PHE 89 CO 0.00 1.14 0.57 0.93 -2.23 0.00 0.00 178.31 178.73 1s40 h GLU 90 N -0.35 1.04 -0.95 1.11 5.08 -0.02 0.14 114.58 120.63 1s40 h GLU 90 Ca -0.08 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1s40 h GLU 90 Cb 1.33 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 30.29 1s40 h GLU 90 CO 0.11 0.69 0.62 1.15 -1.00 0.00 0.00 179.01 180.57 1s40 h THR 91 N 1.07 1.15 -0.20 1.13 2.02 -1.34 0.72 112.91 117.46 1s40 h THR 91 Ca 0.38 -0.41 -0.16 0.00 0.77 0.00 0.00 66.41 66.99 1s40 h THR 91 Cb 0.11 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.38 1s40 h THR 91 CO -0.15 0.22 -0.54 0.15 0.37 0.00 0.00 175.52 175.56 1s40 h PHE 92 N 1.19 0.72 0.02 3.16 3.57 -0.47 -2.96 116.94 122.17 1s40 h PHE 92 Ca 0.38 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1s40 h PHE 92 Cb 0.02 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1s40 h PHE 92 CO -0.01 0.99 -0.01 0.22 -2.23 0.00 0.00 178.31 177.27 1s40 h ASP 93 N 0.45 -0.03 -0.98 0.41 1.82 0.07 -2.48 116.42 115.69 1s40 h ASP 93 Ca 0.01 -0.29 0.23 0.00 -0.39 0.00 0.00 57.03 56.59 1s40 h ASP 93 Cb 1.08 0.01 -0.08 0.00 0.68 0.00 0.00 39.33 41.02 1s40 h ASP 93 CO 0.10 0.28 0.63 0.77 -1.61 0.00 0.00 179.24 179.41 1s40 h SER 94 N -0.33 0.48 -0.14 2.28 4.64 -0.90 1.22 113.55 120.78 1s40 h SER 94 Ca -0.00 0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 1s40 h SER 94 Cb 0.32 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 1s40 h SER 94 CO 0.01 0.15 -0.10 0.11 -0.87 0.00 0.00 176.83 176.13 1s40 h LYS 95 N 0.46 0.48 0.20 4.77 1.79 -1.29 -2.96 116.57 120.03 1s40 h LYS 95 Ca 0.53 -0.13 -0.34 0.00 -2.18 0.00 0.00 60.65 58.54 1s40 h LYS 95 Cb 1.26 -0.06 0.02 0.00 -1.58 0.00 0.00 32.23 31.88 1s40 h LYS 95 CO -0.25 0.59 -1.61 -0.07 -1.08 0.00 0.00 179.45 177.03 1s40 h LEU 96 N 0.45 0.67 -1.71 2.94 3.38 0.14 -3.32 115.31 117.86 1s40 h LEU 96 Ca 0.09 -0.86 0.22 0.00 0.09 0.00 0.00 57.88 57.41 1s40 h LEU 96 Cb 0.45 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1s40 h LEU 96 CO 0.02 1.70 0.59 0.03 0.09 0.00 0.00 178.44 180.88 1s40 h ARG 97 N 0.12 0.23 0.00 1.13 3.08 0.11 1.50 114.38 120.55 1s40 h ARG 97 Ca -0.29 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1s40 h ARG 97 Cb 2.11 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 32.11 1s40 h ARG 97 CO 0.21 0.15 0.00 0.87 -1.07 0.00 0.00 179.97 180.14 1s40 h LYS 98 N 0.24 0.00 -0.00 0.04 1.79 -1.63 2.19 116.57 119.19 1s40 h LYS 98 Ca 0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.91 1s40 h LYS 98 Cb 1.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 1s40 h LYS 98 CO -0.11 0.00 -0.52 -0.89 -1.08 0.00 0.00 179.45 176.85 1s40 n ILE 99 N -2.44 0.00 -0.80 1.86 5.41 0.23 -4.52 119.36 119.10 1s40 n ILE 99 Ca 0.05 -0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1s40 n ILE 99 Cb 0.45 1.06 0.00 0.00 -0.71 0.00 0.00 39.64 40.44 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 -0.89 0.00 -0.80 1.39 3.72 0.45 -5.00 117.46 116.33 1s40 n PHE 100 Ca 0.04 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1s40 n PHE 100 Cb 0.25 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 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 -0.02 -4.36 -2.22 4.37 5.15 0.74 -4.84 115.26 114.08 1s40 n ASN 101 Ca 0.00 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.91 1s40 n ASN 101 Cb 0.25 -2.98 0.00 0.00 -0.53 0.00 0.00 39.78 36.52 1s40 n ASN 101 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1s40 n ASN 102 N -0.44 -1.22 -4.93 1.20 0.23 -1.20 -4.97 115.26 103.92 1s40 n ASN 102 Ca 0.00 -2.13 -0.20 0.00 -0.53 0.00 0.00 54.58 51.73 1s40 n ASN 102 Cb 0.36 2.12 -0.01 0.00 -2.08 0.00 0.00 39.78 40.17 1s40 n ASN 102 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1s40 s GLY 103 N -2.38 2.06 0.19 4.83 0.00 -1.26 -2.98 107.32 107.79 1s40 s GLY 103 Ca 0.14 -1.80 -0.14 0.00 0.00 0.00 0.00 44.72 42.92 1s40 s GLY 103 CO 0.10 -1.64 1.65 1.41 0.00 0.00 0.00 173.10 174.62 1s40 h LEU 104 N 0.82 -0.40 -1.03 0.66 4.07 -1.98 0.17 115.31 117.62 1s40 h LEU 104 Ca -0.40 0.15 0.28 0.00 0.08 0.00 0.00 57.88 58.00 1s40 h LEU 104 Cb 1.27 0.30 -0.13 0.00 1.08 0.00 0.00 40.66 43.18 1s40 h LEU 104 CO 0.52 -0.15 0.59 0.08 -1.08 0.00 0.00 178.44 178.41 1s40 h ARG 105 N 0.04 0.44 0.00 1.13 -0.00 -1.94 2.05 114.38 116.10 1s40 h ARG 105 Ca 0.27 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 60.22 1s40 h ARG 105 Cb 0.41 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 30.28 1s40 h ARG 105 CO -0.52 0.29 0.00 -0.44 -0.00 0.00 0.00 179.97 179.30 1s40 h ASP 106 N 0.45 0.00 1.08 0.08 3.32 -1.04 -2.63 116.42 117.69 1s40 h ASP 106 Ca 0.69 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.74 1s40 h ASP 106 Cb 1.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.01 1s40 h ASP 106 CO -0.52 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.18 1s40 n LEU 107 N -2.73 0.17 0.00 1.55 4.77 0.69 -4.91 117.00 116.54 1s40 n LEU 107 Ca 0.02 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1s40 n LEU 107 Cb 0.33 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1s40 n LEU 107 CO 0.26 -0.05 0.00 0.00 -1.33 0.00 0.00 177.39 176.28 1s40 n GLN 108 N -1.66 0.00 -1.65 3.23 10.64 -0.99 -4.87 117.38 122.09 1s40 n GLN 108 Ca 0.07 0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 55.06 1s40 n GLN 108 Cb 0.35 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.67 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 0.00 -4.63 0.00 2.61 5.03 -1.26 -4.49 115.26 112.52 1s40 n ASN 109 Ca 0.00 0.37 0.00 0.00 0.87 0.00 0.00 54.58 55.82 1s40 n ASN 109 Cb 0.00 -4.13 0.00 0.00 -1.02 0.00 0.00 39.78 34.63 1s40 n ASN 109 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1s40 n GLY 110 N -0.42 -0.12 0.00 7.41 0.00 -1.26 -5.09 105.19 105.71 1s40 n GLY 110 Ca -0.18 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.95 0.00 -2.46 1.61 1.74 -1.26 -5.09 116.66 109.24 1s40 n ARG 111 Ca 0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 1s40 n ARG 111 Cb 0.00 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 31.53 1s40 n ARG 111 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1s40 s ASP 112 N -0.36 4.52 -0.23 0.55 1.11 -1.26 -5.02 116.67 115.97 1s40 s ASP 112 Ca 0.00 -0.08 0.11 0.00 0.18 0.00 0.00 52.55 52.76 1s40 s ASP 112 Cb 0.00 -0.43 0.44 0.00 1.07 0.00 0.00 42.92 44.00 1s40 s ASP 112 CO 0.00 -1.74 1.29 1.21 1.18 0.00 0.00 175.17 177.11 1s40 n GLU 113 N -2.83 1.66 -3.38 8.23 4.07 -1.26 -4.27 120.64 122.86 1s40 n GLU 113 Ca 0.12 -3.26 -0.16 0.00 -0.06 0.00 0.00 57.16 53.81 1s40 n GLU 113 Cb 0.60 -1.67 -0.09 0.00 -0.06 0.00 0.00 31.44 30.22 1s40 n GLU 113 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1s40 s ASN 114 N -3.03 1.37 -1.26 4.31 2.20 -1.26 -4.90 114.94 112.37 1s40 s ASN 114 Ca 0.40 -0.92 -0.19 0.00 -0.94 0.00 0.00 52.86 51.21 1s40 s ASN 114 Cb 0.38 0.60 0.02 0.00 -2.00 0.00 0.00 41.25 40.25 1s40 s ASN 114 CO -0.05 -0.35 1.83 0.18 -2.94 0.00 0.00 177.10 175.77 1s40 n LEU 115 N 5.04 4.50 0.00 3.54 4.77 -0.92 -4.36 117.00 129.57 1s40 n LEU 115 Ca 0.02 -3.69 0.00 0.00 -0.03 0.00 0.00 56.01 52.31 1s40 n LEU 115 Cb 0.46 -1.72 0.00 0.00 -2.33 0.00 0.00 43.42 39.83 1s40 n LEU 115 CO 0.02 -0.37 0.26 -1.54 -1.33 0.00 0.00 177.39 174.43 1s40 n SER 116 N 9.95 0.47 -0.07 -1.43 3.41 -1.23 -3.89 113.62 120.83 1s40 n SER 116 Ca 0.48 -1.20 -0.16 0.00 -0.26 0.00 0.00 58.87 57.72 1s40 n SER 116 Cb 0.46 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.28 1s40 n SER 116 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1s40 h GLN 117 N 0.00 0.02 -0.64 4.33 4.20 -1.88 -3.35 115.11 117.79 1s40 h GLN 117 Ca 0.00 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 1s40 h GLN 117 Cb 0.76 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 1s40 h GLN 117 CO 0.00 1.01 0.17 1.88 -0.67 0.00 0.00 178.83 181.22 1s40 h TYR 118 N -0.96 1.06 0.00 2.96 0.05 -1.89 -3.40 116.97 114.79 1s40 h TYR 118 Ca -0.09 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.57 1s40 h TYR 118 Cb 1.12 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 38.55 1s40 h TYR 118 CO 0.23 0.88 0.00 0.41 -1.05 0.00 0.00 178.16 178.63 1s40 n GLY 119 N -0.67 3.05 2.77 3.88 0.00 -1.26 -4.75 105.19 108.21 1s40 n GLY 119 Ca 0.04 -0.93 -0.06 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.04 -1.53 -0.61 5.41 -1.26 -3.60 119.36 117.74 1s40 n ILE 120 Ca 0.00 0.00 -0.57 0.00 1.00 0.00 0.00 62.75 63.18 1s40 n ILE 120 Cb 0.00 -0.16 -0.07 0.00 -0.71 0.00 0.00 39.64 38.70 1s40 n ILE 120 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1s40 n VAL 121 N -2.75 0.03 -3.63 1.39 0.31 -1.26 -4.57 118.33 107.85 1s40 n VAL 121 Ca 0.01 -0.01 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 1s40 n VAL 121 Cb 0.50 -0.25 -0.07 0.00 -0.91 0.00 0.00 33.84 33.11 1s40 n VAL 121 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s40 s LYS 123 N -0.42 2.99 -0.29 0.00 1.02 -0.97 -3.05 119.74 119.01 1s40 s LYS 123 Ca -0.06 -0.03 -0.16 0.00 0.02 0.00 0.00 55.97 55.74 1s40 s LYS 123 Cb -0.03 -2.31 0.16 0.00 -0.52 0.00 0.00 37.83 35.13 1s40 s LYS 123 CO 0.04 -0.62 1.03 0.00 -0.92 0.00 0.00 175.35 174.89 1s40 s MET 124 N -4.93 0.32 -0.58 1.68 0.23 -1.22 -3.09 119.30 111.71 1s40 s MET 124 Ca 0.53 0.55 -0.24 0.00 -1.03 0.00 0.00 55.69 55.49 1s40 s MET 124 Cb -0.10 0.07 0.04 0.00 -1.53 0.00 0.00 34.83 33.31 1s40 s MET 124 CO 0.44 -0.07 0.98 -0.80 -2.03 0.00 0.00 175.02 173.55 1s40 s ASN 125 N 1.26 6.31 0.03 -1.18 -0.87 -1.26 -1.43 114.94 117.80 1s40 s ASN 125 Ca -0.09 -0.43 -0.04 0.00 -1.57 0.00 0.00 52.86 50.74 1s40 s ASN 125 Cb -0.03 -2.45 -0.05 0.00 -0.02 0.00 0.00 41.25 38.70 1s40 s ASN 125 CO -0.14 -1.31 0.25 -0.63 -2.57 0.00 0.00 177.10 172.70 1s40 s ILE 126 N 4.13 5.33 -0.30 0.60 1.01 0.45 0.22 121.20 132.64 1s40 s ILE 126 Ca 0.30 -0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.80 1s40 s ILE 126 Cb -0.13 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 1s40 s ILE 126 CO 0.18 0.26 0.18 -0.54 0.00 0.00 0.00 174.94 175.02 1s40 s LYS 127 N -2.09 3.67 -0.13 2.79 1.02 -0.78 -0.79 119.74 123.44 1s40 s LYS 127 Ca 0.31 -0.51 -0.06 0.00 0.02 0.00 0.00 55.97 55.73 1s40 s LYS 127 Cb -0.13 -3.63 -0.04 0.00 -0.52 0.00 0.00 37.83 33.51 1s40 s LYS 127 CO 0.20 -0.30 0.10 0.14 -0.92 0.00 0.00 175.35 174.58 1s40 s VAL 128 N 1.70 5.16 0.14 3.17 -7.23 -0.36 -2.14 120.40 120.85 1s40 s VAL 128 Ca 0.06 0.08 -0.14 0.00 -1.81 0.00 0.00 61.98 60.18 1s40 s VAL 128 Cb -0.16 -3.26 0.02 0.00 0.56 0.00 0.00 36.38 33.54 1s40 s VAL 128 CO 0.09 0.57 0.37 -1.59 -0.31 0.00 0.00 175.10 174.23 1s40 s LYS 129 N -0.65 1.11 -0.03 4.82 -2.85 -1.10 -0.76 119.74 120.29 1s40 s LYS 129 Ca 0.12 -0.87 -0.21 0.00 -1.00 0.00 0.00 55.97 54.01 1s40 s LYS 129 Cb -0.12 0.44 -0.05 0.00 -2.06 0.00 0.00 37.83 36.04 1s40 s LYS 129 CO 0.02 -0.43 0.61 1.41 0.10 0.00 0.00 175.35 177.06 1s40 s MET 130 N -3.86 4.35 -0.85 1.78 1.75 -1.26 0.54 119.30 121.75 1s40 s MET 130 Ca 0.07 0.74 -0.02 0.00 -1.25 0.00 0.00 55.69 55.23 1s40 s MET 130 Cb 0.02 -3.37 0.35 0.00 2.84 0.00 0.00 34.83 34.67 1s40 s MET 130 CO -0.08 0.28 2.02 0.98 -0.65 0.00 0.00 175.02 177.58 1s40 n TYR 131 N 3.05 2.98 -1.31 4.11 4.19 -1.13 -4.76 117.16 124.30 1s40 n TYR 131 Ca -0.06 -2.33 -0.11 0.00 3.31 0.00 0.00 57.90 58.72 1s40 n TYR 131 Cb 0.51 -1.18 -0.05 0.00 0.49 0.00 0.00 39.34 39.11 1s40 n TYR 131 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1s40 n ASN 132 N -0.54 -5.47 0.00 2.98 4.13 -1.26 -4.27 115.26 110.82 1s40 n ASN 132 Ca 0.54 0.27 0.00 0.00 1.68 0.00 0.00 54.58 57.07 1s40 n ASN 132 Cb 0.23 -3.92 0.00 0.00 -1.54 0.00 0.00 39.78 34.55 1s40 n ASN 132 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1s40 n GLY 133 N -0.10 0.05 0.00 7.41 0.00 -1.26 -5.15 105.19 106.14 1s40 n GLY 133 Ca -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1s40 n GLY 133 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s40 n LYS 134 N -0.47 0.00 -3.78 1.61 2.85 -1.26 -4.93 118.16 112.18 1s40 n LYS 134 Ca 0.00 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.03 1s40 n LYS 134 Cb 0.00 0.00 -0.18 0.00 -0.65 0.00 0.00 35.03 34.20 1s40 n LYS 134 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1s40 s LEU 135 N 0.00 0.58 -0.43 -5.58 1.98 -1.26 -2.83 118.68 111.14 1s40 s LEU 135 Ca 0.00 -0.07 -0.23 0.00 -2.89 0.00 0.00 54.13 50.94 1s40 s LEU 135 Cb 0.00 -0.42 0.02 0.00 0.66 0.00 0.00 46.19 46.46 1s40 s LEU 135 CO 0.00 -0.19 0.78 0.21 -1.89 0.00 0.00 176.35 175.25 1s40 s ASN 136 N 1.95 6.43 -0.26 3.68 2.47 0.19 -4.37 114.94 125.02 1s40 s ASN 136 Ca 0.04 -0.04 -0.10 0.00 0.42 0.00 0.00 52.86 53.18 1s40 s ASN 136 Cb -0.12 -2.38 -0.04 0.00 -1.45 0.00 0.00 41.25 37.25 1s40 s ASN 136 CO -0.05 -0.88 0.14 0.00 -3.72 0.00 0.00 177.10 172.60 1s40 s ALA 137 N 3.24 3.41 0.49 1.71 0.00 -1.26 -2.70 121.76 126.64 1s40 s ALA 137 Ca 0.30 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 51.23 1s40 s ALA 137 Cb -0.12 -2.32 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 1s40 s ALA 137 CO 0.22 -0.49 0.24 0.96 0.00 0.00 0.00 175.76 176.68 1s40 s ILE 138 N 1.63 1.79 -0.15 0.00 -4.36 -0.91 -2.83 121.20 116.38 1s40 s ILE 138 Ca 0.07 -1.67 0.02 0.00 -0.26 0.00 0.00 60.65 58.80 1s40 s ILE 138 Cb -0.15 -2.47 0.01 0.00 1.25 0.00 0.00 42.46 41.10 1s40 s ILE 138 CO 0.08 0.00 -0.20 -0.69 0.24 0.00 0.00 174.94 174.37 1s40 s VAL 139 N -2.73 1.92 0.03 8.37 1.01 0.53 -1.87 120.40 127.67 1s40 s VAL 139 Ca 0.30 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1s40 s VAL 139 Cb 0.01 -1.73 -0.26 0.00 0.00 0.00 0.00 36.38 34.40 1s40 s VAL 139 CO 0.18 0.52 0.97 -0.09 0.00 0.00 0.00 175.10 176.68 1s40 h ARG 140 N 7.57 0.20 -4.91 2.72 2.43 0.23 -3.43 114.38 119.18 1s40 h ARG 140 Ca -0.36 -0.34 -0.48 0.00 -0.81 0.00 0.00 59.98 58.00 1s40 h ARG 140 Cb 1.17 0.12 -0.13 0.00 -0.42 0.00 0.00 29.97 30.71 1s40 h ARG 140 CO 0.56 1.07 -0.50 -1.83 -1.51 0.00 0.00 179.97 177.77 1s40 s GLU 141 N -2.64 1.77 -0.29 0.20 -1.05 -1.25 -4.91 118.70 110.53 1s40 s GLU 141 Ca -0.06 -2.03 0.03 0.00 -0.15 0.00 0.00 54.97 52.76 1s40 s GLU 141 Cb 0.07 0.19 0.20 0.00 -0.44 0.00 0.00 34.13 34.16 1s40 s GLU 141 CO 0.85 -0.62 0.66 0.00 0.95 0.00 0.00 175.26 177.10 1s40 s GLU 143 N 2.85 2.74 0.35 0.00 2.12 -1.18 -4.59 118.70 121.00 1s40 s GLU 143 Ca 0.13 -0.74 -0.27 0.00 0.36 0.00 0.00 54.97 54.45 1s40 s GLU 143 Cb -0.09 -2.34 -0.09 0.00 0.26 0.00 0.00 34.13 31.87 1s40 s GLU 143 CO -0.25 -0.15 1.20 -1.25 -0.54 0.00 0.00 175.26 174.27 1s40 s PRO 144 N 1.17 4.28 -0.29 4.30 0.04 -1.26 -2.30 135.00 140.94 1s40 s PRO 144 Ca 0.00 1.95 -0.02 0.00 0.04 0.00 0.00 61.00 62.98 1s40 s PRO 144 Cb -0.14 -2.92 0.09 0.00 0.04 0.00 0.00 34.50 31.58 1s40 s PRO 144 CO -0.08 -0.16 0.09 0.08 0.04 0.00 0.00 177.00 176.97 1s40 s VAL 145 N -1.27 0.67 0.00 -0.36 1.01 0.58 -4.90 120.40 116.14 1s40 s VAL 145 Ca 0.52 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1s40 s VAL 145 Cb -0.34 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1s40 s VAL 145 CO 0.44 -0.62 0.00 -0.81 0.00 0.00 0.00 175.10 174.10 1s40 n PRO 146 N 4.94 0.00 0.00 2.72 -0.04 -1.26 -4.04 135.00 137.32 1s40 n PRO 146 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1s40 n PRO 146 Cb 0.43 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.71 1s40 n PRO 146 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1s40 n HIS 147 N 0.00 0.00 -0.31 0.54 -0.00 -1.26 -4.86 115.22 109.33 1s40 n HIS 147 Ca 0.00 0.00 0.18 0.00 0.46 0.00 0.00 57.72 58.36 1s40 n HIS 147 Cb 0.00 0.00 0.43 0.00 -0.12 0.00 0.00 29.99 30.30 1s40 n HIS 147 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1s40 h SER 148 N 0.00 0.58 0.00 0.26 0.87 -1.97 -2.28 113.55 111.01 1s40 h SER 148 Ca 0.00 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1s40 h SER 148 Cb 0.00 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.90 1s40 h SER 148 CO 0.00 0.18 -0.32 0.00 -0.53 0.00 0.00 176.83 176.16 1s40 n GLN 149 N -4.66 0.89 -0.24 2.24 10.64 -1.26 -4.82 117.38 120.17 1s40 n GLN 149 Ca 0.23 -2.26 0.05 0.00 -1.83 0.00 0.00 57.00 53.18 1s40 n GLN 149 Cb 0.70 -1.12 0.17 0.00 -0.86 0.00 0.00 30.24 29.13 1s40 n GLN 149 CO 0.00 0.00 0.00 0.97 -1.83 0.00 0.00 177.06 176.20 1s40 h ILE 150 N 2.62 0.55 0.00 -0.39 2.10 -1.74 0.78 117.51 121.44 1s40 h ILE 150 Ca -0.02 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.82 1s40 h ILE 150 Cb 1.19 0.24 0.00 0.00 -1.09 0.00 0.00 36.82 37.16 1s40 h ILE 150 CO 0.01 0.05 0.00 -1.54 -1.08 0.00 0.00 178.15 175.59 1s40 n SER 151 N -5.13 0.00 -0.01 2.19 3.41 -1.26 -1.00 113.62 111.82 1s40 n SER 151 Ca 0.13 -0.32 0.06 0.00 -0.26 0.00 0.00 58.87 58.48 1s40 n SER 151 Cb 0.43 -0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.22 1s40 n SER 151 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1s40 n SER 152 N -1.09 0.60 -0.07 4.04 2.88 0.27 -4.60 113.62 115.64 1s40 n SER 152 Ca 0.10 -0.80 -0.10 0.00 -1.33 0.00 0.00 58.87 56.75 1s40 n SER 152 Cb 0.08 0.98 -0.06 0.00 -0.75 0.00 0.00 64.21 64.46 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 -1.24 0.74 -3.62 2.46 5.41 -0.77 -4.96 119.36 117.39 1s40 n ILE 153 Ca 0.02 -0.28 -0.36 0.00 1.00 0.00 0.00 62.75 63.14 1s40 n ILE 153 Cb 0.19 -1.03 -0.08 0.00 -0.71 0.00 0.00 39.64 38.01 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 -2.26 3.62 1.05 -1.39 0.00 -0.17 -5.08 121.76 117.53 1s40 s ALA 154 Ca -0.18 -0.72 -0.08 0.00 0.00 0.00 0.00 51.96 50.98 1s40 s ALA 154 Cb 0.05 -2.34 0.12 0.00 0.00 0.00 0.00 23.12 20.95 1s40 s ALA 154 CO 0.29 -0.08 0.28 0.45 0.00 0.00 0.00 175.76 176.70 1s40 n SER 155 N 4.02 -2.55 -3.34 0.00 2.88 -1.26 -4.61 113.62 108.76 1s40 n SER 155 Ca -0.14 -0.28 -0.23 0.00 -1.33 0.00 0.00 58.87 56.89 1s40 n SER 155 Cb 0.52 -0.34 0.19 0.00 -0.75 0.00 0.00 64.21 63.83 1s40 n SER 155 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1s40 n PRO 156 N -2.84 -2.53 0.00 -1.46 -0.04 -1.26 -2.97 135.00 123.90 1s40 n PRO 156 Ca 0.04 -1.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.12 1s40 n PRO 156 Cb 0.19 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1s40 n PRO 156 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1s40 n SER 157 N -4.39 0.00 -0.02 3.54 2.88 -1.26 -3.99 113.62 110.39 1s40 n SER 157 Ca 0.12 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.62 1s40 n SER 157 Cb 0.46 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.11 1s40 n SER 157 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 1s40 h GLN 158 N 0.00 0.57 -0.69 -1.46 3.07 -1.93 -2.46 115.11 112.21 1s40 h GLN 158 Ca 0.00 -0.20 0.07 0.00 0.09 0.00 0.00 58.65 58.62 1s40 h GLN 158 Cb 0.00 -0.04 -0.06 0.00 0.08 0.00 0.00 27.48 27.46 1s40 h GLN 158 CO 0.00 0.73 0.37 0.00 0.09 0.00 0.00 178.83 180.02 1s40 h GLU 160 N 0.65 0.47 -1.02 0.00 4.11 -1.85 -2.58 114.58 114.36 1s40 h GLU 160 Ca 0.32 -0.30 0.25 0.00 0.07 0.00 0.00 59.36 59.70 1s40 h GLU 160 Cb 0.27 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 1s40 h GLU 160 CO -0.22 0.91 0.66 1.25 0.07 0.00 0.00 179.01 181.68 1s40 h HIS 161 N 0.09 0.62 -0.08 2.06 2.76 -0.95 0.19 115.15 119.84 1s40 h HIS 161 Ca 0.01 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.11 1s40 h HIS 161 Cb 0.89 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.67 1s40 h HIS 161 CO 0.10 0.08 -0.28 -0.07 -1.30 0.00 0.00 177.93 176.46 1s40 h LEU 162 N 0.39 0.39 -1.14 0.26 3.38 -1.20 -2.20 115.31 115.19 1s40 h LEU 162 Ca 0.57 -0.62 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1s40 h LEU 162 Cb 1.45 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 42.03 1s40 h LEU 162 CO -0.27 0.94 0.59 0.03 0.09 0.00 0.00 178.44 179.82 1s40 h ARG 163 N -0.14 1.03 -0.36 1.13 3.08 -0.37 -0.53 114.38 118.21 1s40 h ARG 163 Ca -0.01 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 1s40 h ARG 163 Cb 0.90 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1s40 h ARG 163 CO 0.06 0.68 -0.17 -0.07 -1.07 0.00 0.00 179.97 179.39 1s40 h LEU 164 N 1.06 0.67 -0.40 3.04 3.38 -0.74 -2.85 115.31 119.48 1s40 h LEU 164 Ca 0.38 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.20 1s40 h LEU 164 Cb 0.16 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1s40 h LEU 164 CO -0.14 0.85 0.09 0.15 0.09 0.00 0.00 178.44 179.49 1s40 h PHE 165 N 0.60 0.16 -1.00 1.13 3.57 -0.45 0.19 116.94 121.15 1s40 h PHE 165 Ca 0.10 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.76 1s40 h PHE 165 Cb 0.64 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.28 1s40 h PHE 165 CO 0.03 0.03 0.62 1.88 -2.23 0.00 0.00 178.31 178.64 1s40 h TYR 166 N 0.23 1.12 -0.12 0.41 0.05 -1.24 0.93 116.97 118.34 1s40 h TYR 166 Ca 0.19 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.95 1s40 h TYR 166 Cb 0.22 -0.35 -0.00 0.00 1.01 0.00 0.00 36.73 37.61 1s40 h TYR 166 CO -0.19 0.39 -0.14 1.96 -1.05 0.00 0.00 178.16 179.14 1s40 h GLN 167 N 0.93 0.31 -0.35 4.88 1.08 -0.91 -2.57 115.11 118.48 1s40 h GLN 167 Ca 0.51 -0.17 -0.16 0.00 -1.45 0.00 0.00 58.65 57.38 1s40 h GLN 167 Cb 0.58 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1s40 h GLN 167 CO -0.29 0.72 -0.41 0.00 -0.95 0.00 0.00 178.83 177.89 1s40 h ARG 168 N -0.09 0.90 0.00 1.46 2.47 0.17 -2.89 114.38 116.40 1s40 h ARG 168 Ca 0.02 -0.50 -0.02 0.00 -1.26 0.00 0.00 59.98 58.22 1s40 h ARG 168 Cb 0.67 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.02 1s40 h ARG 168 CO 0.03 1.15 -0.09 0.00 0.56 0.00 0.00 179.97 181.62 1s40 h ALA 169 N 0.74 1.25 0.02 0.04 0.00 0.81 -0.75 119.26 121.37 1s40 h ALA 169 Ca 0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1s40 h ALA 169 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1s40 h ALA 169 CO 0.10 0.11 -0.01 0.74 0.00 0.00 0.00 179.25 180.19 1s40 h PHE 170 N 0.00 -0.03 0.00 0.00 -1.00 -1.23 0.54 116.94 115.22 1s40 h PHE 170 Ca -0.00 -0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.60 1s40 h PHE 170 Cb 0.30 0.01 -0.03 0.00 3.61 0.00 0.00 35.95 39.85 1s40 h PHE 170 CO 0.00 0.13 -0.85 0.87 -1.61 0.00 0.00 178.31 176.85 1s40 h LYS 171 N -0.18 0.00 0.00 1.51 1.57 -1.57 -2.83 116.57 115.07 1s40 h LYS 171 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s40 h LYS 171 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1s40 h LYS 171 CO 0.01 0.84 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.64 1s40 h ARG 172 N 0.00 -0.00 -0.54 3.15 2.43 -1.06 -3.35 114.38 115.01 1s40 h ARG 172 Ca -0.01 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1s40 h ARG 172 Cb 1.65 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.18 1s40 h ARG 172 CO 0.11 0.89 0.21 0.82 -1.51 0.00 0.00 179.97 180.50 1s40 h ILE 173 N -0.99 1.22 0.00 1.20 1.08 -0.04 -3.49 117.51 116.48 1s40 h ILE 173 Ca -0.00 -0.69 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 1s40 h ILE 173 Cb 0.90 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1s40 h ILE 173 CO 0.00 0.26 0.00 0.61 -0.69 0.00 0.00 178.15 178.33 1s40 n GLY 174 N -0.80 2.00 0.47 5.37 0.00 -1.07 -4.63 105.19 106.55 1s40 n GLY 174 Ca 0.02 -1.08 0.29 0.00 0.00 0.00 0.00 46.02 45.26 1s40 n GLY 174 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1s40 h GLU 175 N 0.00 0.12 -0.16 1.61 4.81 -1.90 0.40 114.58 119.46 1s40 h GLU 175 Ca 0.00 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1s40 h GLU 175 Cb 0.00 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1s40 h GLU 175 CO 0.00 0.08 -0.05 0.66 -0.73 0.00 0.00 179.01 178.97 1s40 h SER 176 N 0.12 -0.17 -0.79 1.04 4.64 -1.93 -1.75 113.55 114.72 1s40 h SER 176 Ca 0.52 0.05 0.08 0.00 -0.47 0.00 0.00 61.79 61.97 1s40 h SER 176 Cb 1.84 0.11 -0.07 0.00 -0.31 0.00 0.00 62.40 63.97 1s40 h SER 176 CO -0.09 -0.06 0.46 0.00 -0.87 0.00 0.00 176.83 176.27 1s40 h ALA 177 N 1.14 1.09 -0.14 5.18 0.00 -1.17 0.14 119.26 125.50 1s40 h ALA 177 Ca 0.08 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1s40 h ALA 177 Cb 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1s40 h ALA 177 CO -0.17 0.13 0.12 0.82 0.00 0.00 0.00 179.25 180.14 1s40 h ILE 178 N 0.80 0.75 0.00 0.00 1.08 -1.22 -0.09 117.51 118.83 1s40 h ILE 178 Ca 0.36 0.00 -0.19 0.00 -0.39 0.00 0.00 64.86 64.64 1s40 h ILE 178 Cb 0.27 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 34.92 1s40 h ILE 178 CO -0.21 0.00 -0.86 -1.28 -0.69 0.00 0.00 178.15 175.11 1s40 h SER 179 N 0.00 0.20 -0.16 1.72 0.87 -0.12 0.51 113.55 116.57 1s40 h SER 179 Ca 0.07 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 1s40 h SER 179 Cb 0.30 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1s40 h SER 179 CO -0.00 0.96 0.04 0.03 -0.53 0.00 0.00 176.83 177.34 1s40 h ARG 180 N 0.08 0.34 -0.31 2.24 2.47 -0.50 -2.96 114.38 115.75 1s40 h ARG 180 Ca -0.04 -0.05 -0.25 0.00 -1.26 0.00 0.00 59.98 58.39 1s40 h ARG 180 Cb 1.49 -0.06 -0.32 0.00 -1.65 0.00 0.00 29.97 29.42 1s40 h ARG 180 CO 0.13 0.34 -0.90 0.66 0.56 0.00 0.00 179.97 180.75 1s40 n TYR 181 N -4.38 1.04 -0.15 3.04 4.02 -1.13 -4.90 117.16 114.69 1s40 n TYR 181 Ca 0.01 -1.61 -0.08 0.00 -0.01 0.00 0.00 57.90 56.20 1s40 n TYR 181 Cb 0.17 -0.24 -0.03 0.00 -0.02 0.00 0.00 39.34 39.22 1s40 n TYR 181 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 1s40 h PHE 182 N 1.77 -1.11 -0.43 -0.72 3.57 0.21 1.56 116.94 121.79 1s40 h PHE 182 Ca -0.01 0.07 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 1s40 h PHE 182 Cb 1.44 0.55 -0.01 0.00 2.79 0.00 0.00 35.95 40.72 1s40 h PHE 182 CO 0.55 -0.41 -0.27 0.93 -2.23 0.00 0.00 178.31 176.88 1s40 h GLU 183 N -0.27 0.95 -0.33 1.11 5.08 -1.87 0.24 114.58 119.50 1s40 h GLU 183 Ca 0.17 -0.44 -0.10 0.00 -1.00 0.00 0.00 59.36 57.98 1s40 h GLU 183 Cb 0.56 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1s40 h GLU 183 CO -0.60 1.11 -0.21 0.93 -1.00 0.00 0.00 179.01 179.24 1s40 h GLU 184 N 0.79 0.63 0.08 2.33 5.08 -1.60 -3.20 114.58 118.69 1s40 h GLU 184 Ca 0.09 -0.24 -0.29 0.00 -1.00 0.00 0.00 59.36 57.93 1s40 h GLU 184 Cb 0.85 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1s40 h GLU 184 CO 0.08 0.80 -1.45 -0.92 -1.00 0.00 0.00 179.01 176.51 1s40 h TYR 185 N 0.56 0.31 0.00 4.33 5.03 0.23 -3.30 116.97 124.13 1s40 h TYR 185 Ca 0.08 -0.23 0.00 0.00 2.58 0.00 0.00 58.73 61.17 1s40 h TYR 185 Cb 0.67 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.94 1s40 h TYR 185 CO 0.03 1.26 0.00 2.89 -1.32 0.00 0.00 178.16 181.02 1s40 n ARG 186 N -3.38 0.08 -1.46 1.82 1.85 0.07 -4.81 116.66 110.83 1s40 n ARG 186 Ca -0.13 0.26 -0.47 0.00 -1.00 0.00 0.00 57.85 56.51 1s40 n ARG 186 Cb 1.03 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.91 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 -1.35 0.40 -2.07 2.89 0.63 -1.22 -4.28 116.66 111.66 1s40 n ARG 187 Ca 0.03 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 1s40 n ARG 187 Cb 0.07 -1.26 0.00 0.00 0.45 0.00 0.00 32.46 31.72 1s40 n ARG 187 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1s40 n PHE 188 N 0.09 -5.04 -0.94 -0.14 3.72 -1.26 -4.94 117.46 108.95 1s40 n PHE 188 Ca 0.16 2.91 0.00 0.00 -0.05 0.00 0.00 57.45 60.47 1s40 n PHE 188 Cb 0.27 -3.70 0.00 0.00 -0.94 0.00 0.00 39.48 35.11 1s40 n PHE 188 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1s40 n PHE 189 N 1.54 -2.58 -2.27 1.38 7.35 -1.26 -4.94 117.46 116.69 1s40 n PHE 189 Ca 0.00 1.39 -0.31 0.00 -0.76 0.00 0.00 57.45 57.77 1s40 n PHE 189 Cb 0.00 -2.41 -0.01 0.00 0.35 0.00 0.00 39.48 37.41 1s40 n PHE 189 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1s40 s PRO 190 N -4.75 3.76 0.00 -7.13 0.04 -1.26 -4.90 135.00 120.77 1s40 s PRO 190 Ca 0.00 0.76 0.10 0.00 0.04 0.00 0.00 61.00 61.90 1s40 s PRO 190 Cb 0.00 -2.16 0.08 0.00 0.04 0.00 0.00 34.50 32.46 1s40 s PRO 190 CO 0.00 -0.35 0.82 0.44 0.04 0.00 0.00 177.00 177.95