#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 0.00 -1.93 1.97 2.81 -1.26 -4.48 117.12 114.22 1s40 n MET 6 Ca 0.00 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.56 1s40 n MET 6 Cb 0.00 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 32.53 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 -1.00 2.68 0.01 3.04 0.00 -1.26 -4.84 121.76 120.39 1s40 s ALA 7 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1s40 s ALA 7 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1s40 s ALA 7 CO 0.00 -0.95 0.00 0.54 0.00 0.00 0.00 175.76 175.35 1s40 n ARG 8 N -2.24 -0.09 0.00 0.00 5.12 -1.26 -4.92 116.66 113.28 1s40 n ARG 8 Ca 0.09 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 1s40 n ARG 8 Cb 0.53 -0.11 0.00 0.00 -1.16 0.00 0.00 32.46 31.72 1s40 n ARG 8 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1s40 n LYS 9 N -1.01 3.86 -0.39 5.56 2.85 -1.26 -4.41 118.16 123.37 1s40 n LYS 9 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1s40 n LYS 9 Cb 0.02 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.40 1s40 n LYS 9 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1s40 n ASP 10 N 0.00 0.00 -2.48 -5.58 8.00 -1.26 -4.63 116.55 110.60 1s40 n ASP 10 Ca 0.00 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.80 1s40 n ASP 10 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1s40 n ASP 10 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1s40 n PRO 11 N -0.70 1.53 -3.67 -0.24 -0.04 -1.26 -4.91 135.00 125.71 1s40 n PRO 11 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1s40 n PRO 11 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 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 0.36 -0.01 0.00 0.52 2.01 -1.26 -3.06 115.64 114.19 1s40 s THR 12 Ca 0.00 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.05 1s40 s THR 12 Cb 0.00 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.72 1s40 s THR 12 CO 0.00 0.02 0.00 2.30 -0.69 0.00 0.00 174.62 176.25 1s40 n ILE 13 N 4.26 0.00 0.00 1.82 -5.35 -1.10 -4.95 119.36 114.04 1s40 n ILE 13 Ca -0.22 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1s40 n ILE 13 Cb 0.57 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 1s40 n ILE 13 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1s40 n GLU 14 N 0.00 0.00 0.00 6.28 2.13 -1.26 -4.53 120.64 123.26 1s40 n GLU 14 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1s40 n GLU 14 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1s40 n GLU 14 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1s40 n PHE 15 N 0.00 0.00 0.32 4.31 3.01 -1.26 -2.18 117.46 121.66 1s40 n PHE 15 Ca 0.00 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.64 1s40 n PHE 15 Cb 0.00 0.00 0.94 0.00 -0.01 0.00 0.00 39.48 40.41 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 -2.87 2.89 0.00 0.00 6.02 -0.93 -4.98 117.38 117.51 1s40 n GLN 17 Ca -0.02 -2.47 0.00 0.00 -0.01 0.00 0.00 57.00 54.50 1s40 n GLN 17 Cb 0.23 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.00 1s40 n GLN 17 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1s40 n LEU 18 N 1.12 0.00 0.00 1.08 7.99 0.14 -4.17 117.00 123.17 1s40 n LEU 18 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.20 1s40 n LEU 18 Cb 0.58 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.89 1s40 n LEU 18 CO 0.14 -0.14 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 1s40 n GLY 19 N 0.00 0.01 1.35 -0.72 0.00 -1.26 -4.94 105.19 99.63 1s40 n GLY 19 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.77 0.99 -0.00 -1.26 -5.05 117.00 107.92 1s40 n LEU 20 Ca 0.00 -0.20 -0.05 0.00 -0.00 0.00 0.00 56.01 55.76 1s40 n LEU 20 Cb 0.00 -0.34 -0.02 0.00 -0.00 0.00 0.00 43.42 43.06 1s40 n LEU 20 CO 0.00 -1.78 0.60 -1.81 -0.00 0.00 0.00 177.39 174.41 1s40 s ASP 21 N -1.73 -0.24 0.00 1.96 1.01 -1.26 -4.99 116.67 111.42 1s40 s ASP 21 Ca 0.15 -0.45 0.00 0.00 0.71 0.00 0.00 52.55 52.96 1s40 s ASP 21 Cb -0.03 0.58 0.00 0.00 1.01 0.00 0.00 42.92 44.49 1s40 s ASP 21 CO 0.13 -1.07 0.36 0.41 0.21 0.00 0.00 175.17 175.21 1s40 n THR 22 N -0.45 0.00 0.04 -1.27 -1.04 -1.26 -1.95 114.28 108.35 1s40 n THR 22 Ca -0.06 0.86 0.00 0.00 -2.04 0.00 0.00 64.05 62.81 1s40 n THR 22 Cb 0.60 -1.63 0.02 0.00 -1.82 0.00 0.00 70.33 67.51 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 -0.52 0.00 0.00 -1.42 7.35 -1.26 -4.43 117.46 117.18 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 -0.44 0.00 0.00 0.35 0.00 0.00 39.48 39.39 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 -1.44 1.64 0.00 -4.13 0.00 -0.82 -5.05 120.64 110.85 1s40 n GLU 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1s40 n GLU 24 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.45 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 -0.37 0.00 -2.77 6.31 -1.04 -1.26 -4.72 114.28 110.43 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 0.00 0.00 -5.17 -2.82 2.85 -0.89 -4.99 118.16 107.14 1s40 n LYS 26 Ca 0.00 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.95 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 -1.72 2.37 0.08 5.58 2.02 -1.26 -1.96 117.35 122.46 1s40 s TYR 27 Ca 0.00 -0.40 -0.19 0.00 -0.37 0.00 0.00 57.07 56.11 1s40 s TYR 27 Cb 0.00 -1.49 0.04 0.00 -0.40 0.00 0.00 41.96 40.11 1s40 s TYR 27 CO 0.00 0.02 0.45 0.96 -1.57 0.00 0.00 175.55 175.41 1s40 s ILE 28 N -0.67 0.05 0.04 2.71 -4.36 -0.11 -4.61 121.20 114.24 1s40 s ILE 28 Ca 0.11 -0.41 -0.08 0.00 -0.26 0.00 0.00 60.65 60.01 1s40 s ILE 28 Cb -0.10 -1.03 -0.05 0.00 1.25 0.00 0.00 42.46 42.53 1s40 s ILE 28 CO -0.00 -0.22 0.33 -0.89 0.24 0.00 0.00 174.94 174.40 1s40 s THR 29 N -2.95 5.20 -0.03 8.37 2.01 -1.17 0.12 115.64 127.19 1s40 s THR 29 Ca -0.02 0.32 -0.02 0.00 0.31 0.00 0.00 61.69 62.28 1s40 s THR 29 Cb 0.00 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.92 1s40 s THR 29 CO -0.06 0.34 0.06 -0.32 -0.69 0.00 0.00 174.62 173.95 1s40 s MET 30 N -1.80 0.04 0.29 4.92 0.00 -0.07 -2.70 119.30 119.98 1s40 s MET 30 Ca 0.30 0.15 0.07 0.00 0.00 0.00 0.00 55.69 56.21 1s40 s MET 30 Cb -0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 34.83 34.60 1s40 s MET 30 CO 0.17 -0.07 0.31 -0.06 0.00 0.00 0.00 175.02 175.36 1s40 s PHE 31 N 0.47 3.10 0.00 4.11 0.08 -1.26 -1.87 117.98 122.60 1s40 s PHE 31 Ca -0.04 -0.18 0.00 0.00 0.12 0.00 0.00 56.93 56.83 1s40 s PHE 31 Cb -0.05 -1.68 0.00 0.00 -0.57 0.00 0.00 43.02 40.72 1s40 s PHE 31 CO -0.02 0.29 0.00 0.41 -0.10 0.00 0.00 175.22 175.81 1s40 n GLY 32 N -1.37 2.48 3.70 4.36 0.00 -1.25 -4.30 105.19 108.82 1s40 n GLY 32 Ca -0.05 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 1s40 n GLY 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1s40 s MET 33 N -2.00 4.21 0.08 1.61 1.75 0.46 -3.03 119.30 122.39 1s40 s MET 33 Ca 0.00 0.13 -0.35 0.00 -1.25 0.00 0.00 55.69 54.22 1s40 s MET 33 Cb 0.00 -3.48 -0.14 0.00 2.84 0.00 0.00 34.83 34.05 1s40 s MET 33 CO 0.00 0.10 1.59 -0.11 -0.65 0.00 0.00 175.02 175.95 1s40 n LEU 34 N 4.01 2.83 -0.10 4.11 0.00 -1.26 -1.77 117.00 124.82 1s40 n LEU 34 Ca -0.10 1.07 -0.11 0.00 0.00 0.00 0.00 56.01 56.86 1s40 n LEU 34 Cb 0.52 -1.36 -0.15 0.00 0.00 0.00 0.00 43.42 42.43 1s40 n LEU 34 CO 0.40 -0.41 -1.18 0.52 0.00 0.00 0.00 177.39 176.71 1s40 n VAL 35 N 3.59 1.38 -3.77 1.96 0.31 0.30 -4.37 118.33 117.74 1s40 n VAL 35 Ca 0.19 -0.79 -0.03 0.00 -0.01 0.00 0.00 64.34 63.70 1s40 n VAL 35 Cb 0.26 -0.66 -0.01 0.00 -0.91 0.00 0.00 33.84 32.52 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 -5.65 -0.15 -0.01 4.52 0.15 -1.11 -3.99 113.70 107.48 1s40 s SER 36 Ca -0.15 -0.44 -0.17 0.00 0.70 0.00 0.00 55.95 55.90 1s40 s SER 36 Cb 0.06 0.48 0.03 0.00 -1.71 0.00 0.00 66.02 64.88 1s40 s SER 36 CO 0.77 -0.90 0.35 0.00 1.20 0.00 0.00 173.24 174.66 1s40 s SER 38 N -1.46 2.32 0.15 0.00 0.15 0.30 -4.90 113.70 110.26 1s40 s SER 38 Ca -0.12 -0.76 0.17 0.00 0.70 0.00 0.00 55.95 55.94 1s40 s SER 38 Cb -0.04 0.06 -0.06 0.00 -1.71 0.00 0.00 66.02 64.28 1s40 s SER 38 CO 0.03 -0.38 1.04 0.15 1.20 0.00 0.00 173.24 175.29 1s40 h PHE 39 N 8.35 0.00 -0.99 3.44 3.04 -1.85 -1.21 116.94 127.73 1s40 h PHE 39 Ca -0.17 0.00 0.29 0.00 3.98 0.00 0.00 57.97 62.07 1s40 h PHE 39 Cb 1.09 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.56 1s40 h PHE 39 CO 0.22 0.49 0.94 0.38 -2.02 0.00 0.00 178.31 178.33 1s40 h ASP 40 N 0.00 0.00 -2.29 0.41 2.03 -1.94 -3.40 116.42 111.23 1s40 h ASP 40 Ca -0.10 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.64 1s40 h ASP 40 Cb 1.46 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.99 1s40 h ASP 40 CO 0.05 0.00 1.08 0.29 -1.03 0.00 0.00 179.24 179.63 1s40 n LYS 41 N -3.65 2.52 0.00 4.15 4.76 -1.25 -4.82 118.16 119.88 1s40 n LYS 41 Ca 0.21 0.92 0.08 0.00 -2.87 0.00 0.00 58.31 56.65 1s40 n LYS 41 Cb 1.26 -2.79 0.46 0.00 -1.84 0.00 0.00 35.03 32.12 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 5.96 0.68 -0.00 1.97 -0.04 -1.26 -2.84 135.00 139.47 1s40 n PRO 42 Ca 0.20 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.68 1s40 n PRO 42 Cb 0.34 -1.36 -0.04 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 -0.86 2.46 0.00 0.55 0.00 -1.26 -5.11 120.51 116.29 1s40 n ALA 43 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1s40 n ALA 43 Cb 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.42 0.00 -3.70 0.00 1.16 -1.13 -4.69 117.46 107.68 1s40 n PHE 44 Ca -0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.21 1s40 n PHE 44 Cb 0.12 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 37.90 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 3.82 -0.17 1.97 1.09 -1.25 -4.05 121.20 119.62 1s40 s ILE 45 Ca 0.00 -3.03 -0.29 0.00 -1.10 0.00 0.00 60.65 56.23 1s40 s ILE 45 Cb 0.00 -3.47 -0.03 0.00 -1.06 0.00 0.00 42.46 37.90 1s40 s ILE 45 CO 0.00 -0.90 1.53 -0.94 -0.10 0.00 0.00 174.94 174.53 1s40 s SER 46 N 0.64 6.60 -0.02 3.58 1.04 -0.46 -4.30 113.70 120.78 1s40 s SER 46 Ca 0.18 1.78 0.03 0.00 0.48 0.00 0.00 55.95 58.42 1s40 s SER 46 Cb -0.19 -2.53 -0.00 0.00 0.10 0.00 0.00 66.02 63.39 1s40 s SER 46 CO -0.04 -1.05 -0.10 0.72 0.98 0.00 0.00 173.24 173.76 1s40 s PHE 47 N 4.45 0.93 -0.27 5.02 -0.12 -1.07 0.11 117.98 127.03 1s40 s PHE 47 Ca 0.67 -0.20 -0.12 0.00 -0.05 0.00 0.00 56.93 57.23 1s40 s PHE 47 Cb -0.26 -0.63 -0.05 0.00 -0.63 0.00 0.00 43.02 41.46 1s40 s PHE 47 CO 0.26 -0.05 0.23 0.08 -0.05 0.00 0.00 175.22 175.69 1s40 s VAL 48 N -0.06 5.28 0.72 -2.49 1.01 -0.60 -2.11 120.40 122.15 1s40 s VAL 48 Ca 0.01 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.28 1s40 s VAL 48 Cb -0.06 -3.57 0.14 0.00 0.00 0.00 0.00 36.38 32.89 1s40 s VAL 48 CO -0.00 0.24 0.99 -0.36 0.00 0.00 0.00 175.10 175.97 1s40 s PHE 49 N 1.71 1.30 -0.30 5.22 0.08 -0.77 0.11 117.98 125.33 1s40 s PHE 49 Ca 0.09 -0.43 -0.10 0.00 0.12 0.00 0.00 56.93 56.61 1s40 s PHE 49 Cb -0.16 -2.85 0.14 0.00 -0.57 0.00 0.00 43.02 39.58 1s40 s PHE 49 CO 0.10 -1.74 0.70 -1.54 -0.10 0.00 0.00 175.22 172.64 1s40 s SER 50 N -4.78 -1.07 -0.08 1.36 1.04 -0.73 -2.26 113.70 107.18 1s40 s SER 50 Ca 0.67 1.41 0.14 0.00 0.48 0.00 0.00 55.95 58.65 1s40 s SER 50 Cb -0.04 2.20 0.43 0.00 0.10 0.00 0.00 66.02 68.70 1s40 s SER 50 CO 0.44 -0.20 1.35 -0.67 0.98 0.00 0.00 173.24 175.14 1s40 n ASP 51 N 5.38 3.46 -3.64 7.02 2.03 -1.23 -0.40 116.55 129.16 1s40 n ASP 51 Ca -0.11 -2.46 -0.23 0.00 0.52 0.00 0.00 54.79 52.51 1s40 n ASP 51 Cb 0.50 -0.39 0.04 0.00 -0.72 0.00 0.00 41.12 40.55 1s40 n ASP 51 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1s40 n PHE 52 N 0.13 -1.98 -3.02 -0.67 3.01 -1.26 -4.99 117.46 108.68 1s40 n PHE 52 Ca 0.17 0.74 0.00 0.00 1.01 0.00 0.00 57.45 59.36 1s40 n PHE 52 Cb 0.65 -4.08 0.00 0.00 -0.01 0.00 0.00 39.48 36.04 1s40 n PHE 52 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1s40 n THR 53 N -4.11 0.00 -3.71 4.37 -2.24 -1.26 -5.09 114.28 102.25 1s40 n THR 53 Ca -0.22 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.27 1s40 n THR 53 Cb 0.65 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.73 1s40 n THR 53 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1s40 s LYS 54 N 0.94 0.64 0.59 -0.78 -0.14 -1.23 -4.23 119.74 115.52 1s40 s LYS 54 Ca 0.00 -0.92 -0.18 0.00 -1.36 0.00 0.00 55.97 53.51 1s40 s LYS 54 Cb 0.00 -1.89 -0.04 0.00 -1.68 0.00 0.00 37.83 34.23 1s40 s LYS 54 CO 0.00 -0.95 1.15 1.21 -0.76 0.00 0.00 175.35 176.01 1s40 s ASN 55 N 1.71 5.38 0.00 2.83 3.84 -0.58 -1.54 114.94 126.58 1s40 s ASN 55 Ca 0.08 2.22 0.00 0.00 0.21 0.00 0.00 52.86 55.37 1s40 s ASN 55 Cb -0.17 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 37.95 1s40 s ASN 55 CO -0.25 -1.46 0.00 -0.67 -2.79 0.00 0.00 177.10 171.94 1s40 n ASP 56 N -1.65 1.47 -4.86 -4.21 -0.08 -1.26 -4.90 116.55 101.06 1s40 n ASP 56 Ca 0.12 -0.34 -0.30 0.00 -1.51 0.00 0.00 54.79 52.76 1s40 n ASP 56 Cb 0.51 0.97 0.05 0.00 2.34 0.00 0.00 41.12 44.99 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 -1.27 3.61 0.40 5.18 1.01 -1.26 -4.94 121.20 123.93 1s40 s ILE 57 Ca 0.00 0.52 0.07 0.00 0.00 0.00 0.00 60.65 61.24 1s40 s ILE 57 Cb 0.00 -3.45 0.27 0.00 0.01 0.00 0.00 42.46 39.29 1s40 s ILE 57 CO 0.00 -0.68 2.05 1.62 0.00 0.00 0.00 174.94 177.92 1s40 h VAL 58 N -0.70 1.09 -0.37 2.92 3.04 -1.96 -3.48 116.25 116.79 1s40 h VAL 58 Ca -0.45 -0.20 0.02 0.00 -1.01 0.00 0.00 66.70 65.05 1s40 h VAL 58 Cb 1.24 0.45 -0.00 0.00 -2.01 0.00 0.00 31.29 30.98 1s40 h VAL 58 CO 0.62 0.11 -0.02 1.67 -1.01 0.00 0.00 177.57 178.94 1s40 n GLN 59 N -4.47 -0.12 0.00 4.17 7.27 -1.26 -4.89 117.38 118.07 1s40 n GLN 59 Ca 0.04 0.08 0.00 0.00 0.07 0.00 0.00 57.00 57.19 1s40 n GLN 59 Cb 0.09 -0.15 0.00 0.00 2.41 0.00 0.00 30.24 32.59 1s40 n GLN 59 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1s40 n ASN 60 N -4.00 0.00 -4.61 1.69 5.15 -1.26 -4.59 115.26 107.64 1s40 n ASN 60 Ca 0.00 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.58 1s40 n ASN 60 Cb 0.03 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.20 1s40 n ASN 60 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1s40 s TYR 61 N -0.57 3.25 0.12 1.20 6.14 -1.26 -4.94 117.35 121.29 1s40 s TYR 61 Ca 0.00 0.55 -0.19 0.00 0.64 0.00 0.00 57.07 58.06 1s40 s TYR 61 Cb 0.00 -2.74 -0.07 0.00 0.42 0.00 0.00 41.96 39.57 1s40 s TYR 61 CO 0.00 -0.32 0.62 -0.51 0.64 0.00 0.00 175.55 175.98 1s40 s LEU 62 N 2.31 4.47 -0.60 6.97 1.43 -1.26 -4.99 118.68 127.01 1s40 s LEU 62 Ca 0.20 1.30 0.02 0.00 -1.03 0.00 0.00 54.13 54.63 1s40 s LEU 62 Cb -0.16 -3.13 0.39 0.00 0.03 0.00 0.00 46.19 43.32 1s40 s LEU 62 CO 0.10 0.19 1.47 0.00 0.23 0.00 0.00 176.35 178.35 1s40 n TYR 63 N 1.36 3.24 -1.74 0.29 9.36 -1.26 -4.45 117.16 123.97 1s40 n TYR 63 Ca -0.07 -2.80 -0.03 0.00 3.32 0.00 0.00 57.90 58.31 1s40 n TYR 63 Cb 0.51 -0.52 -0.03 0.00 -0.63 0.00 0.00 39.34 38.66 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 -0.50 -0.48 -0.05 2.98 8.00 -1.26 -4.98 116.55 120.25 1s40 n ASP 64 Ca 0.45 -1.00 -0.04 0.00 0.71 0.00 0.00 54.79 54.90 1s40 n ASP 64 Cb 0.49 0.14 -0.10 0.00 -0.02 0.00 0.00 41.12 41.63 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 0.00 1.70 -1.40 -1.24 1.85 -1.26 -3.76 116.66 112.55 1s40 n ARG 65 Ca -0.13 -0.02 -0.32 0.00 -1.00 0.00 0.00 57.85 56.37 1s40 n ARG 65 Cb 0.47 -1.32 -0.16 0.00 -1.05 0.00 0.00 32.46 30.39 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 -2.39 0.35 -0.41 2.89 0.18 -1.26 -4.03 117.16 112.48 1s40 n TYR 66 Ca -0.18 0.23 -0.17 0.00 1.88 0.00 0.00 57.90 59.67 1s40 n TYR 66 Cb 0.83 -1.63 0.16 0.00 -0.38 0.00 0.00 39.34 38.32 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 8.21 0.00 -0.15 -3.48 4.32 -1.26 -4.78 117.00 119.86 1s40 n LEU 67 Ca 0.62 -0.48 -0.08 0.00 -0.02 0.00 0.00 56.01 56.05 1s40 n LEU 67 Cb 0.06 -0.74 0.07 0.00 -1.62 0.00 0.00 43.42 41.19 1s40 n LEU 67 CO 0.93 -2.42 0.77 0.40 -1.22 0.00 0.00 177.39 175.84 1s40 h ILE 68 N -2.88 1.26 -0.80 -0.08 2.04 -1.94 -2.74 117.51 112.37 1s40 h ILE 68 Ca -0.22 -1.22 0.23 0.00 1.00 0.00 0.00 64.86 64.65 1s40 h ILE 68 Cb 0.73 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1s40 h ILE 68 CO 0.13 0.43 0.81 0.44 0.00 0.00 0.00 178.15 179.96 1s40 h ASP 69 N 0.82 0.00 0.00 1.72 3.32 -1.89 -3.43 116.42 116.96 1s40 h ASP 69 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1s40 h ASP 69 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1s40 h ASP 69 CO 0.04 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.34 1s40 n TYR 70 N -3.62 0.00 -0.35 4.55 4.02 -1.04 -4.44 117.16 116.28 1s40 n TYR 70 Ca 0.17 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 58.02 1s40 n TYR 70 Cb 1.08 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.40 1s40 n TYR 70 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 1s40 h GLU 71 N 0.00 -0.04 0.00 -0.72 4.11 -1.90 -3.41 114.58 112.62 1s40 h GLU 71 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.28 1s40 h GLU 71 Cb 0.00 0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.28 1s40 h GLU 71 CO 0.00 -0.03 0.03 0.09 0.07 0.00 0.00 179.01 179.17 1s40 n ASN 72 N -5.42 0.50 -3.67 3.06 4.13 -1.26 -5.11 115.26 107.48 1s40 n ASN 72 Ca 0.07 -1.41 -0.16 0.00 1.68 0.00 0.00 54.58 54.77 1s40 n ASN 72 Cb 0.36 -0.20 -0.15 0.00 -1.54 0.00 0.00 39.78 38.25 1s40 n ASN 72 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1s40 s LYS 73 N -3.21 0.07 0.25 3.52 0.00 -1.26 -4.56 119.74 114.54 1s40 s LYS 73 Ca 0.22 0.61 -0.24 0.00 0.00 0.00 0.00 55.97 56.56 1s40 s LYS 73 Cb -0.01 -0.20 -0.15 0.00 0.00 0.00 0.00 37.83 37.46 1s40 s LYS 73 CO 0.14 -0.29 0.34 -0.11 0.00 0.00 0.00 175.35 175.43 1s40 n LEU 74 N 5.25 -1.71 -4.75 2.77 0.00 -1.26 -4.90 117.00 112.41 1s40 n LEU 74 Ca -0.07 0.94 -0.29 0.00 0.00 0.00 0.00 56.01 56.60 1s40 n LEU 74 Cb 0.50 -0.86 0.14 0.00 0.00 0.00 0.00 43.42 43.20 1s40 n LEU 74 CO 0.05 -3.19 0.69 -1.83 0.00 0.00 0.00 177.39 173.10 1s40 s GLU 75 N -0.93 1.10 0.00 1.96 -1.05 -1.26 -4.86 118.70 113.66 1s40 s GLU 75 Ca 0.58 0.46 0.13 0.00 -0.15 0.00 0.00 54.97 55.98 1s40 s GLU 75 Cb -0.77 -1.82 0.37 0.00 -0.44 0.00 0.00 34.13 31.48 1s40 s GLU 75 CO 0.54 -2.26 1.31 1.28 0.95 0.00 0.00 175.26 177.08 1s40 n LEU 76 N -3.84 2.03 -0.44 1.83 4.77 -1.26 -3.79 117.00 116.30 1s40 n LEU 76 Ca 0.06 -1.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.12 1s40 n LEU 76 Cb 0.58 -0.24 0.19 0.00 -2.33 0.00 0.00 43.42 41.61 1s40 n LEU 76 CO 0.57 0.50 0.60 0.59 -1.33 0.00 0.00 177.39 178.32 1s40 n ASN 77 N 0.61 2.77 0.00 -1.43 3.02 -1.26 -4.72 115.26 114.24 1s40 n ASN 77 Ca 0.13 -3.19 0.00 0.00 -0.03 0.00 0.00 54.58 51.50 1s40 n ASN 77 Cb 0.33 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1s40 n ASN 77 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1s40 n GLU 78 N -1.11 0.00 -3.72 3.52 4.07 -1.25 -1.53 120.64 120.61 1s40 n GLU 78 Ca 0.19 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 57.05 1s40 n GLU 78 Cb 0.75 -0.42 -0.01 0.00 -0.06 0.00 0.00 31.44 31.70 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 -3.85 2.24 0.02 8.31 0.00 -1.26 -3.56 107.32 109.22 1s40 s GLY 79 Ca 0.00 -1.60 -0.26 0.00 0.00 0.00 0.00 44.72 42.86 1s40 s GLY 79 CO 0.00 -1.84 0.60 -0.11 0.00 0.00 0.00 173.10 171.75 1s40 s PHE 80 N -2.66 -0.54 -0.19 1.90 -0.71 -0.96 -4.88 117.98 109.94 1s40 s PHE 80 Ca 0.41 0.74 -0.17 0.00 -1.04 0.00 0.00 56.93 56.87 1s40 s PHE 80 Cb -0.02 0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 42.15 1s40 s PHE 80 CO 0.25 -0.65 0.47 0.21 -1.34 0.00 0.00 175.22 174.16 1s40 s LYS 81 N -2.05 4.20 0.35 1.99 2.20 -1.26 -1.84 119.74 123.32 1s40 s LYS 81 Ca -0.07 0.34 0.09 0.00 -0.36 0.00 0.00 55.97 55.97 1s40 s LYS 81 Cb -0.01 -3.54 -0.07 0.00 -1.51 0.00 0.00 37.83 32.71 1s40 s LYS 81 CO 0.02 -0.08 -0.07 0.00 -0.36 0.00 0.00 175.35 174.86 1s40 s ALA 82 N 1.42 2.90 0.01 3.13 0.00 -0.90 -4.46 121.76 123.86 1s40 s ALA 82 Ca 0.22 -2.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.06 1s40 s ALA 82 Cb -0.15 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1s40 s ALA 82 CO 0.09 0.02 0.02 0.96 0.00 0.00 0.00 175.76 176.85 1s40 s ILE 83 N -2.70 0.08 -0.04 0.00 -5.25 -1.22 -2.61 121.20 109.46 1s40 s ILE 83 Ca 0.33 -0.64 0.01 0.00 -0.99 0.00 0.00 60.65 59.36 1s40 s ILE 83 Cb 0.04 -0.24 0.02 0.00 2.95 0.00 0.00 42.46 45.23 1s40 s ILE 83 CO 0.16 -0.35 -0.03 -0.32 -1.79 0.00 0.00 174.94 172.61 1s40 s MET 84 N -1.07 0.72 0.24 0.37 1.75 -1.26 0.59 119.30 120.64 1s40 s MET 84 Ca -0.12 -0.06 -0.29 0.00 -1.25 0.00 0.00 55.69 53.97 1s40 s MET 84 Cb -0.07 -0.79 -0.15 0.00 2.84 0.00 0.00 34.83 36.66 1s40 s MET 84 CO -0.00 -0.11 0.95 0.66 -0.65 0.00 0.00 175.02 175.87 1s40 n TYR 85 N 4.15 0.92 -0.24 4.11 4.01 -1.26 -3.77 117.16 125.08 1s40 n TYR 85 Ca -0.24 0.76 0.04 0.00 -0.16 0.00 0.00 57.90 58.30 1s40 n TYR 85 Cb 0.51 -2.20 0.15 0.00 -0.31 0.00 0.00 39.34 37.49 1s40 n TYR 85 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1s40 h LYS 86 N 2.17 0.18 0.03 -0.72 1.57 -1.94 1.09 116.57 118.95 1s40 h LYS 86 Ca -0.38 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1s40 h LYS 86 Cb 1.36 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 1s40 h LYS 86 CO 0.62 0.12 -0.04 -0.97 -0.57 0.00 0.00 179.45 178.61 1s40 h ASN 87 N 0.19 -0.11 0.30 0.86 -1.24 -2.00 0.52 115.58 114.10 1s40 h ASN 87 Ca 0.39 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.39 1s40 h ASN 87 Cb 0.66 0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.75 1s40 h ASN 87 CO -0.55 -0.06 -0.09 1.56 -1.29 0.00 0.00 177.43 177.00 1s40 h GLN 88 N -0.09 0.00 -0.04 6.67 1.08 -1.37 -2.19 115.11 119.17 1s40 h GLN 88 Ca 0.01 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 1s40 h GLN 88 Cb 0.09 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1s40 h GLN 88 CO -0.02 0.09 -0.58 0.35 -0.95 0.00 0.00 178.83 177.73 1s40 h PHE 89 N 0.00 0.67 -0.23 2.96 3.57 0.31 -2.43 116.94 121.79 1s40 h PHE 89 Ca -0.00 -0.33 0.05 0.00 3.53 0.00 0.00 57.97 61.22 1s40 h PHE 89 Cb 0.27 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 1s40 h PHE 89 CO 0.00 1.13 -0.12 0.93 -2.23 0.00 0.00 178.31 178.02 1s40 h GLU 90 N 0.01 -0.09 -0.46 1.11 4.39 0.57 0.45 114.58 120.56 1s40 h GLU 90 Ca -0.06 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.73 1s40 h GLU 90 Cb 1.26 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.85 1s40 h GLU 90 CO 0.12 -0.06 0.03 1.15 -1.16 0.00 0.00 179.01 179.09 1s40 h THR 91 N -0.09 0.67 -0.50 1.13 2.02 -1.50 0.93 112.91 115.57 1s40 h THR 91 Ca 0.13 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 1s40 h THR 91 Cb 0.28 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1s40 h THR 91 CO -0.29 0.03 0.20 0.15 0.37 0.00 0.00 175.52 175.98 1s40 h PHE 92 N 0.14 0.72 0.03 3.16 3.57 -0.59 -2.61 116.94 121.36 1s40 h PHE 92 Ca 0.23 -0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.45 1s40 h PHE 92 Cb 0.33 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 38.86 1s40 h PHE 92 CO -0.27 0.56 -1.04 -0.44 -2.23 0.00 0.00 178.31 174.89 1s40 h ASP 93 N 0.71 0.65 -0.14 0.41 5.19 0.20 -3.00 116.42 120.45 1s40 h ASP 93 Ca 0.17 -0.55 0.05 0.00 -0.62 0.00 0.00 57.03 56.08 1s40 h ASP 93 Cb 0.14 -0.20 -0.06 0.00 0.18 0.00 0.00 39.33 39.39 1s40 h ASP 93 CO -0.02 1.36 -0.30 -1.28 -3.12 0.00 0.00 179.24 175.88 1s40 h SER 94 N 0.26 -0.93 -0.58 6.45 0.87 0.12 1.17 113.55 120.90 1s40 h SER 94 Ca -0.11 0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1s40 h SER 94 Cb 1.69 0.40 -0.03 0.00 -0.44 0.00 0.00 62.40 64.02 1s40 h SER 94 CO 0.19 -0.34 0.38 0.11 -0.53 0.00 0.00 176.83 176.64 1s40 h LYS 95 N -0.37 0.75 -0.41 2.24 1.57 -1.62 -1.39 116.57 117.34 1s40 h LYS 95 Ca 0.10 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1s40 h LYS 95 Cb 0.52 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1s40 h LYS 95 CO -0.35 0.49 0.19 -0.07 -0.57 0.00 0.00 179.45 179.14 1s40 h LEU 96 N 0.77 0.55 -1.90 2.94 3.38 -0.40 -1.84 115.31 118.80 1s40 h LEU 96 Ca 0.22 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1s40 h LEU 96 Cb -0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1s40 h LEU 96 CO -0.05 0.54 0.40 0.03 0.09 0.00 0.00 178.44 179.46 1s40 h ARG 97 N 0.52 0.00 0.00 1.13 3.08 0.24 0.71 114.38 120.06 1s40 h ARG 97 Ca 0.14 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.11 1s40 h ARG 97 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1s40 h ARG 97 CO -0.02 0.00 -0.68 0.87 -1.07 0.00 0.00 179.97 179.07 1s40 h LYS 98 N 0.00 0.00 -0.00 0.04 1.79 -1.26 2.12 116.57 119.26 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 0.88 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 1s40 h LYS 98 CO -0.00 0.27 -0.93 -0.89 -1.08 0.00 0.00 179.45 176.81 1s40 n ILE 99 N -3.04 0.00 -0.98 1.86 5.41 0.20 -4.43 119.36 118.38 1s40 n ILE 99 Ca -0.00 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1s40 n ILE 99 Cb 0.69 0.98 0.00 0.00 -0.71 0.00 0.00 39.64 40.59 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 -1.39 0.00 -0.83 1.39 3.01 0.12 -4.99 117.46 114.76 1s40 n PHE 100 Ca 0.04 -0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1s40 n PHE 100 Cb 0.34 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 1s40 n PHE 100 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1s40 n ASN 101 N -0.00 -4.63 -0.85 4.37 5.15 0.72 -4.83 115.26 115.18 1s40 n ASN 101 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1s40 n ASN 101 Cb 0.31 -3.05 0.00 0.00 -0.53 0.00 0.00 39.78 36.51 1s40 n ASN 101 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1s40 n ASN 102 N -0.50 0.00 -4.48 1.20 4.13 -1.21 -4.95 115.26 109.45 1s40 n ASN 102 Ca 0.00 -0.85 -0.24 0.00 1.68 0.00 0.00 54.58 55.17 1s40 n ASN 102 Cb 0.39 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.52 1s40 n ASN 102 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1s40 s GLY 103 N -0.85 2.00 0.29 7.41 0.00 -1.26 -2.39 107.32 112.51 1s40 s GLY 103 Ca 0.00 -1.99 0.02 0.00 0.00 0.00 0.00 44.72 42.75 1s40 s GLY 103 CO 0.00 -1.94 1.63 1.41 0.00 0.00 0.00 173.10 174.21 1s40 h LEU 104 N 2.16 -0.09 -0.95 0.66 4.07 -1.98 0.39 115.31 119.58 1s40 h LEU 104 Ca -0.41 0.21 0.11 0.00 0.08 0.00 0.00 57.88 57.87 1s40 h LEU 104 Cb 1.24 0.30 -0.08 0.00 1.08 0.00 0.00 40.66 43.20 1s40 h LEU 104 CO 0.68 -0.19 0.58 0.08 -1.08 0.00 0.00 178.44 178.51 1s40 h ARG 105 N 0.16 0.90 0.00 1.13 -0.00 -1.95 0.21 114.38 114.83 1s40 h ARG 105 Ca 0.55 -0.05 0.00 0.00 -0.00 0.00 0.00 59.98 60.48 1s40 h ARG 105 Cb 1.12 -0.20 0.00 0.00 -0.00 0.00 0.00 29.97 30.88 1s40 h ARG 105 CO -0.69 0.59 0.00 -0.25 -0.00 0.00 0.00 179.97 179.62 1s40 n ASP 106 N -4.66 0.39 0.09 0.08 9.92 0.13 -2.82 116.55 119.67 1s40 n ASP 106 Ca 0.17 0.56 -0.02 0.00 -0.53 0.00 0.00 54.79 54.98 1s40 n ASP 106 Cb 0.34 -0.66 -0.05 0.00 -0.64 0.00 0.00 41.12 40.11 1s40 n ASP 106 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1s40 h LEU 107 N 0.00 0.00-10.01 0.64 3.38 0.00 -3.46 115.31 105.87 1s40 h LEU 107 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1s40 h LEU 107 Cb 0.47 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1s40 h LEU 107 CO 0.00 0.73 -0.03 0.00 0.09 0.00 0.00 178.44 179.23 1s40 s GLN 108 N -2.84 3.86 0.00 1.13 -2.07 -1.05 -4.93 119.66 113.76 1s40 s GLN 108 Ca 0.02 0.42 0.00 0.00 -1.82 0.00 0.00 55.36 53.97 1s40 s GLN 108 Cb 0.09 -2.55 0.00 0.00 -1.09 0.00 0.00 33.01 29.45 1s40 s GLN 108 CO 0.79 0.23 0.00 -1.71 -1.32 0.00 0.00 175.29 173.28 1s40 n ASN 109 N -0.33 2.54 0.00 12.60 2.85 -1.26 -4.99 115.26 126.67 1s40 n ASN 109 Ca 0.02 -0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.26 1s40 n ASN 109 Cb 0.53 0.96 0.00 0.00 1.24 0.00 0.00 39.78 42.50 1s40 n ASN 109 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1s40 n GLY 110 N 1.72 1.87 0.00 8.20 0.00 -1.26 -4.95 105.19 110.77 1s40 n GLY 110 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 0.00 -1.55 1.61 1.74 -1.26 -4.84 116.66 112.37 1s40 n ARG 111 Ca 0.00 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 1s40 n ARG 111 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 1s40 n ARG 111 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1s40 n ASP 112 N 0.00 1.80 0.00 0.55 8.00 -1.26 -3.85 116.55 121.78 1s40 n ASP 112 Ca 0.00 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.68 1s40 n ASP 112 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 39.59 1s40 n ASP 112 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1s40 n GLU 113 N 8.73 0.00 -3.12 -1.24 4.07 -1.26 -4.84 120.64 122.98 1s40 n GLU 113 Ca 0.44 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 57.54 1s40 n GLU 113 Cb 0.45 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.83 1s40 n GLU 113 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1s40 n ASN 114 N -1.06 -6.98 -3.15 4.31 3.02 -1.25 -4.56 115.26 105.59 1s40 n ASN 114 Ca 0.00 0.69 -0.21 0.00 -0.03 0.00 0.00 54.58 55.03 1s40 n ASN 114 Cb 0.00 -1.70 -0.02 0.00 -0.61 0.00 0.00 39.78 37.45 1s40 n ASN 114 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1s40 n LEU 115 N 1.85 4.86 0.00 3.41 -0.00 -1.26 -3.57 117.00 122.30 1s40 n LEU 115 Ca -0.01 -2.86 0.00 0.00 -0.00 0.00 0.00 56.01 53.14 1s40 n LEU 115 Cb 0.27 -1.08 0.00 0.00 -0.00 0.00 0.00 43.42 42.60 1s40 n LEU 115 CO 0.02 0.62 0.15 -0.24 -0.00 0.00 0.00 177.39 177.93 1s40 n SER 116 N 4.16 0.00 -0.27 1.96 2.88 -1.26 -3.55 113.62 117.55 1s40 n SER 116 Ca 0.44 -1.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.07 1s40 n SER 116 Cb 0.14 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.77 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 0.00 1.68 0.00 -1.46 1.13 -1.23 -4.56 117.38 112.94 1s40 n GLN 117 Ca 0.00 -2.64 0.09 0.00 -1.94 0.00 0.00 57.00 52.51 1s40 n GLN 117 Cb 0.41 -1.58 -0.08 0.00 0.11 0.00 0.00 30.24 29.10 1s40 n GLN 117 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1s40 n TYR 118 N -1.21 0.00 -2.95 1.08 4.01 -1.26 -1.91 117.16 114.91 1s40 n TYR 118 Ca 0.17 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.90 1s40 n TYR 118 Cb 0.70 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.73 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 1.40 -1.15 2.21 2.72 0.00 -1.26 -4.78 105.19 104.32 1s40 n GLY 119 Ca 0.05 0.43 -0.22 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.84 3.18 -1.66 -0.61 5.41 -1.26 -4.83 119.36 117.75 1s40 n ILE 120 Ca -0.01 -1.88 -0.62 0.00 1.00 0.00 0.00 62.75 61.25 1s40 n ILE 120 Cb 0.51 -0.46 -0.08 0.00 -0.71 0.00 0.00 39.64 38.90 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 -1.02 0.06 -3.59 1.39 0.31 -1.26 -4.42 118.33 109.80 1s40 n VAL 121 Ca 0.58 -0.01 -0.16 0.00 -0.01 0.00 0.00 64.34 64.73 1s40 n VAL 121 Cb 1.64 -0.55 -0.07 0.00 -0.91 0.00 0.00 33.84 33.96 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 -0.92 3.66 -0.24 0.00 2.20 0.01 -3.74 119.74 120.70 1s40 s LYS 123 Ca -0.09 0.33 -0.16 0.00 -0.36 0.00 0.00 55.97 55.69 1s40 s LYS 123 Cb -0.02 -2.39 0.07 0.00 -1.51 0.00 0.00 37.83 33.98 1s40 s LYS 123 CO 0.07 -0.11 0.60 -1.64 -0.36 0.00 0.00 175.35 173.91 1s40 s MET 124 N -4.28 0.63 -0.58 4.03 -1.94 -0.78 -1.45 119.30 114.93 1s40 s MET 124 Ca 0.49 1.03 -0.26 0.00 -1.71 0.00 0.00 55.69 55.24 1s40 s MET 124 Cb -0.10 0.15 0.04 0.00 2.01 0.00 0.00 34.83 36.92 1s40 s MET 124 CO 0.38 -0.14 1.09 -0.80 -0.01 0.00 0.00 175.02 175.54 1s40 s ASN 125 N 1.26 6.38 -0.02 3.03 -0.87 -1.24 -0.89 114.94 122.59 1s40 s ASN 125 Ca -0.07 -0.13 -0.01 0.00 -1.57 0.00 0.00 52.86 51.07 1s40 s ASN 125 Cb -0.06 -2.50 -0.04 0.00 -0.02 0.00 0.00 41.25 38.63 1s40 s ASN 125 CO -0.13 -1.39 0.06 -0.63 -2.57 0.00 0.00 177.10 172.44 1s40 s ILE 126 N 4.55 4.62 -0.47 0.60 1.01 0.33 -0.52 121.20 131.32 1s40 s ILE 126 Ca 0.37 -0.38 -0.18 0.00 0.00 0.00 0.00 60.65 60.46 1s40 s ILE 126 Cb -0.10 -3.07 0.05 0.00 0.01 0.00 0.00 42.46 39.35 1s40 s ILE 126 CO 0.22 0.41 0.51 -0.54 0.00 0.00 0.00 174.94 175.54 1s40 s LYS 127 N -1.53 3.08 0.05 2.79 -0.14 -1.01 -0.94 119.74 122.05 1s40 s LYS 127 Ca 0.20 -0.98 -0.20 0.00 -1.36 0.00 0.00 55.97 53.63 1s40 s LYS 127 Cb -0.12 -4.07 -0.06 0.00 -1.68 0.00 0.00 37.83 31.89 1s40 s LYS 127 CO 0.11 -1.07 0.58 0.14 -0.76 0.00 0.00 175.35 174.35 1s40 s VAL 128 N 2.23 4.77 0.21 3.17 -7.23 -0.83 -2.93 120.40 119.79 1s40 s VAL 128 Ca 0.11 1.24 -0.05 0.00 -1.81 0.00 0.00 61.98 61.47 1s40 s VAL 128 Cb -0.20 -3.92 0.02 0.00 0.56 0.00 0.00 36.38 32.84 1s40 s VAL 128 CO 0.11 0.52 0.37 2.29 -0.31 0.00 0.00 175.10 178.07 1s40 n LYS 129 N 2.00 0.53 -2.98 4.82 -0.00 -0.85 -2.10 118.16 119.58 1s40 n LYS 129 Ca -0.09 -1.42 -0.44 0.00 -0.00 0.00 0.00 58.31 56.35 1s40 n LYS 129 Cb 0.51 1.56 -0.02 0.00 -0.00 0.00 0.00 35.03 37.08 1s40 n LYS 129 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1s40 s MET 130 N -2.24 3.66 -0.90 -1.58 -1.94 -1.24 0.11 119.30 115.17 1s40 s MET 130 Ca 0.13 -1.95 -0.24 0.00 -1.71 0.00 0.00 55.69 51.91 1s40 s MET 130 Cb -0.02 -4.87 -0.01 0.00 2.01 0.00 0.00 34.83 31.94 1s40 s MET 130 CO 0.09 -1.71 1.76 -0.47 -0.01 0.00 0.00 175.02 174.68 1s40 s TYR 131 N 2.23 2.03 -1.24 -0.03 5.04 0.70 -2.91 117.35 123.16 1s40 s TYR 131 Ca 0.32 0.18 0.00 0.00 -2.44 0.00 0.00 57.07 55.13 1s40 s TYR 131 Cb -0.05 -4.27 0.00 0.00 0.35 0.00 0.00 41.96 37.99 1s40 s TYR 131 CO -0.08 -1.87 0.00 -1.71 -1.34 0.00 0.00 175.55 170.54 1s40 n ASN 132 N 12.15 -4.32 0.00 4.32 5.15 -1.26 -1.44 115.26 129.87 1s40 n ASN 132 Ca 0.34 0.19 0.00 0.00 -0.60 0.00 0.00 54.58 54.52 1s40 n ASN 132 Cb 0.49 -3.14 0.00 0.00 -0.53 0.00 0.00 39.78 36.59 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 -1.28 1.31 4.02 8.20 0.00 -1.15 -5.06 105.19 111.24 1s40 n GLY 133 Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.92 2.34 -0.43 1.61 3.01 -0.52 -4.83 119.74 120.00 1s40 s LYS 134 Ca 0.00 -1.46 -0.28 0.00 -1.01 0.00 0.00 55.97 53.22 1s40 s LYS 134 Cb 0.00 -2.62 0.03 0.00 -1.01 0.00 0.00 37.83 34.22 1s40 s LYS 134 CO 0.00 -0.81 1.09 -1.17 0.51 0.00 0.00 175.35 174.96 1s40 s LEU 135 N -4.67 3.77 -0.54 3.17 1.98 -1.25 0.25 118.68 121.39 1s40 s LEU 135 Ca 0.61 0.58 -0.22 0.00 -2.89 0.00 0.00 54.13 52.20 1s40 s LEU 135 Cb -0.07 -3.49 0.05 0.00 0.66 0.00 0.00 46.19 43.34 1s40 s LEU 135 CO 0.38 -1.12 0.81 0.21 -1.89 0.00 0.00 176.35 174.75 1s40 s ASN 136 N 2.21 6.28 -0.49 3.68 3.04 0.29 -4.71 114.94 125.25 1s40 s ASN 136 Ca 0.46 -0.62 -0.12 0.00 0.04 0.00 0.00 52.86 52.61 1s40 s ASN 136 Cb -0.09 -2.38 0.12 0.00 -1.54 0.00 0.00 41.25 37.37 1s40 s ASN 136 CO 0.26 -1.10 0.40 0.00 -3.04 0.00 0.00 177.10 173.62 1s40 s ALA 137 N 3.41 3.48 0.56 1.71 0.00 -1.26 -2.00 121.76 127.66 1s40 s ALA 137 Ca 0.24 -2.51 0.04 0.00 0.00 0.00 0.00 51.96 49.72 1s40 s ALA 137 Cb -0.16 -2.98 0.05 0.00 0.00 0.00 0.00 23.12 20.04 1s40 s ALA 137 CO 0.16 -1.93 0.77 0.96 0.00 0.00 0.00 175.76 175.72 1s40 s ILE 138 N 1.46 2.57 -0.08 0.00 -4.36 -1.15 -3.40 121.20 116.24 1s40 s ILE 138 Ca 0.05 -0.78 0.03 0.00 -0.26 0.00 0.00 60.65 59.68 1s40 s ILE 138 Cb -0.27 -2.78 0.01 0.00 1.25 0.00 0.00 42.46 40.66 1s40 s ILE 138 CO 0.01 0.00 -0.17 -0.69 0.24 0.00 0.00 174.94 174.33 1s40 s VAL 139 N -2.72 1.48 -0.20 8.37 1.01 0.20 -2.40 120.40 126.14 1s40 s VAL 139 Ca 0.59 -0.69 0.12 0.00 0.00 0.00 0.00 61.98 62.00 1s40 s VAL 139 Cb -0.09 -1.32 -0.23 0.00 0.00 0.00 0.00 36.38 34.75 1s40 s VAL 139 CO 0.38 0.43 0.03 -1.14 0.00 0.00 0.00 175.10 174.81 1s40 n ARG 140 N 3.68 0.68 -4.20 2.72 3.00 0.33 -4.52 116.66 118.34 1s40 n ARG 140 Ca -0.21 0.07 -0.12 0.00 -0.00 0.00 0.00 57.85 57.58 1s40 n ARG 140 Cb 0.52 -1.55 -0.10 0.00 0.00 0.00 0.00 32.46 31.34 1s40 n ARG 140 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1s40 s GLU 141 N -2.51 1.26 -0.47 -0.14 2.02 -1.25 -4.95 118.70 112.67 1s40 s GLU 141 Ca -0.18 -1.65 0.06 0.00 0.02 0.00 0.00 54.97 53.23 1s40 s GLU 141 Cb 0.07 0.28 0.26 0.00 0.10 0.00 0.00 34.13 34.85 1s40 s GLU 141 CO 0.76 -0.42 0.90 0.00 0.02 0.00 0.00 175.26 176.52 1s40 s GLU 143 N 0.30 4.22 0.37 0.00 0.41 -0.53 -4.81 118.70 118.67 1s40 s GLU 143 Ca 0.30 2.23 -0.27 0.00 -0.41 0.00 0.00 54.97 56.82 1s40 s GLU 143 Cb 0.24 -3.56 -0.09 0.00 -1.78 0.00 0.00 34.13 28.95 1s40 s GLU 143 CO -0.18 -0.68 1.19 -1.25 -0.49 0.00 0.00 175.26 173.85 1s40 s PRO 144 N 2.45 4.20 -0.41 0.39 0.04 -1.26 -0.81 135.00 139.59 1s40 s PRO 144 Ca 0.71 1.92 0.04 0.00 0.04 0.00 0.00 61.00 63.70 1s40 s PRO 144 Cb -0.38 -2.83 0.17 0.00 0.04 0.00 0.00 34.50 31.50 1s40 s PRO 144 CO 0.31 -0.22 0.34 0.08 0.04 0.00 0.00 177.00 177.55 1s40 s VAL 145 N -1.32 0.20 0.00 -0.36 1.01 0.35 -4.83 120.40 115.46 1s40 s VAL 145 Ca 0.54 -2.35 0.00 0.00 0.00 0.00 0.00 61.98 60.17 1s40 s VAL 145 Cb -0.33 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1s40 s VAL 145 CO 0.42 -1.11 0.00 -0.81 0.00 0.00 0.00 175.10 173.61 1s40 n PRO 146 N 3.08 0.00 -0.97 2.72 -0.04 -1.25 -4.32 135.00 134.22 1s40 n PRO 146 Ca 0.26 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.71 1s40 n PRO 146 Cb 0.47 -0.13 -0.02 0.00 -0.04 0.00 0.00 33.50 33.78 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 0.04 0.54 -0.00 -1.26 -4.86 115.22 109.68 1s40 n HIS 147 Ca 0.00 -0.32 0.00 0.00 0.46 0.00 0.00 57.72 57.86 1s40 n HIS 147 Cb 0.00 0.16 0.00 0.00 -0.12 0.00 0.00 29.99 30.03 1s40 n HIS 147 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1s40 n SER 148 N 0.15 -0.00 0.03 0.26 2.88 -1.26 -4.80 113.62 110.88 1s40 n SER 148 Ca -0.07 0.15 0.11 0.00 -1.33 0.00 0.00 58.87 57.73 1s40 n SER 148 Cb 0.80 0.11 0.48 0.00 -0.75 0.00 0.00 64.21 64.84 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 -2.88 0.05 -0.31 -1.46 6.02 -1.26 -3.64 117.38 113.90 1s40 n GLN 149 Ca 0.00 0.15 0.17 0.00 -0.01 0.00 0.00 57.00 57.31 1s40 n GLN 149 Cb 0.05 -1.58 0.35 0.00 1.02 0.00 0.00 30.24 30.08 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 0.26 -0.01 5.09 2.10 -1.89 2.18 117.51 125.23 1s40 h ILE 150 Ca 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.87 1s40 h ILE 150 Cb 0.43 0.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.20 1s40 h ILE 150 CO 0.00 0.04 0.00 -0.24 -1.08 0.00 0.00 178.15 176.87 1s40 n SER 151 N -5.22 0.09 0.00 2.19 2.88 -1.24 -1.43 113.62 110.90 1s40 n SER 151 Ca 0.25 -1.59 0.00 0.00 -1.33 0.00 0.00 58.87 56.20 1s40 n SER 151 Cb 0.80 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 1s40 n SER 151 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1s40 n SER 152 N -0.65 0.21 -0.01 -3.46 2.88 0.70 -4.72 113.62 108.57 1s40 n SER 152 Ca 0.10 -0.56 -0.00 0.00 -1.33 0.00 0.00 58.87 57.09 1s40 n SER 152 Cb 0.06 0.60 -0.02 0.00 -0.75 0.00 0.00 64.21 64.09 1s40 n SER 152 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1s40 n ILE 153 N -0.60 0.11 -4.80 2.46 5.41 0.85 -5.01 119.36 117.79 1s40 n ILE 153 Ca 0.00 -0.10 -0.33 0.00 1.00 0.00 0.00 62.75 63.31 1s40 n ILE 153 Cb 0.01 -0.30 -0.12 0.00 -0.71 0.00 0.00 39.64 38.51 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 -2.14 2.77 1.20 -1.39 0.00 -0.51 -5.07 121.76 116.62 1s40 s ALA 154 Ca -0.01 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.83 1s40 s ALA 154 Cb 0.01 -1.06 0.27 0.00 0.00 0.00 0.00 23.12 22.34 1s40 s ALA 154 CO 0.13 0.55 0.60 -1.13 0.00 0.00 0.00 175.76 175.91 1s40 n SER 155 N 2.31 -3.50 0.24 0.00 3.41 -1.26 -4.64 113.62 110.18 1s40 n SER 155 Ca -0.17 -0.61 0.13 0.00 -0.26 0.00 0.00 58.87 57.95 1s40 n SER 155 Cb 0.52 -0.82 0.51 0.00 -0.26 0.00 0.00 64.21 64.17 1s40 n SER 155 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1s40 h PRO 156 N 0.00 0.00 0.04 4.33 0.13 -1.96 -2.85 132.00 131.69 1s40 h PRO 156 Ca -0.27 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.55 1s40 h PRO 156 Cb 0.92 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.01 1s40 h PRO 156 CO 0.16 0.14 -1.76 1.03 -0.23 0.00 0.00 178.00 177.34 1s40 h SER 157 N 0.00 0.15 0.60 1.44 0.87 -2.02 -3.34 113.55 111.24 1s40 h SER 157 Ca -0.00 -0.31 -0.05 0.00 -1.23 0.00 0.00 61.79 60.19 1s40 h SER 157 Cb 0.69 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1s40 h SER 157 CO 0.02 1.28 -0.25 1.56 -0.53 0.00 0.00 176.83 178.91 1s40 h GLN 158 N 0.03 0.00 0.35 2.24 1.08 -1.84 -3.18 115.11 113.78 1s40 h GLN 158 Ca -0.31 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.87 1s40 h GLN 158 Cb 2.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.45 1s40 h GLN 158 CO 0.09 0.25 -0.17 0.00 -0.95 0.00 0.00 178.83 178.05 1s40 h GLU 160 N -0.69 0.20 -0.53 0.00 4.11 -1.70 0.24 114.58 116.21 1s40 h GLU 160 Ca -0.05 -0.01 0.09 0.00 0.07 0.00 0.00 59.36 59.46 1s40 h GLU 160 Cb 0.48 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1s40 h GLU 160 CO 0.08 0.14 0.36 1.25 0.07 0.00 0.00 179.01 180.90 1s40 h HIS 161 N 0.21 0.36 0.01 2.06 2.76 -1.54 -0.90 115.15 118.11 1s40 h HIS 161 Ca 0.25 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.40 1s40 h HIS 161 Cb 0.34 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.18 1s40 h HIS 161 CO -0.24 0.18 -0.10 -0.07 -1.30 0.00 0.00 177.93 176.40 1s40 h LEU 162 N 0.35 0.07 -0.01 0.26 3.38 -0.29 -2.18 115.31 116.89 1s40 h LEU 162 Ca 0.24 -0.88 0.03 0.00 0.09 0.00 0.00 57.88 57.37 1s40 h LEU 162 Cb 0.50 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1s40 h LEU 162 CO -0.06 0.94 -0.35 0.03 0.09 0.00 0.00 178.44 179.09 1s40 h ARG 163 N -0.79 -0.48 -0.08 1.13 -0.00 -0.14 -0.59 114.38 113.42 1s40 h ARG 163 Ca -0.01 0.03 -0.02 0.00 -0.50 0.00 0.00 59.98 59.48 1s40 h ARG 163 Cb 0.97 0.11 -0.01 0.00 0.00 0.00 0.00 29.97 31.04 1s40 h ARG 163 CO 0.02 -0.32 -0.03 -0.07 0.00 0.00 0.00 179.97 179.57 1s40 h LEU 164 N -0.50 0.10 -1.21 3.04 3.38 -1.30 -1.97 115.31 116.85 1s40 h LEU 164 Ca 0.06 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1s40 h LEU 164 Cb 0.59 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1s40 h LEU 164 CO -0.29 0.15 0.55 0.15 0.09 0.00 0.00 178.44 179.09 1s40 h PHE 165 N 0.11 0.99 -0.07 1.13 3.04 -0.43 -1.70 116.94 120.00 1s40 h PHE 165 Ca 0.03 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 1s40 h PHE 165 Cb 0.13 -0.33 -0.00 0.00 2.56 0.00 0.00 35.95 38.31 1s40 h PHE 165 CO 0.00 0.57 -0.04 1.88 -2.02 0.00 0.00 178.31 178.70 1s40 h TYR 166 N 1.02 0.18 -0.83 0.41 0.05 -0.92 0.17 116.97 117.05 1s40 h TYR 166 Ca 0.33 -0.05 0.17 0.00 0.05 0.00 0.00 58.73 59.24 1s40 h TYR 166 Cb 0.05 -0.04 -0.06 0.00 1.01 0.00 0.00 36.73 37.69 1s40 h TYR 166 CO -0.00 0.53 0.55 1.96 -1.05 0.00 0.00 178.16 180.15 1s40 h GLN 167 N -0.23 0.44 0.00 4.88 4.20 -1.31 0.30 115.11 123.39 1s40 h GLN 167 Ca 0.02 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1s40 h GLN 167 Cb 0.49 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1s40 h GLN 167 CO 0.01 0.29 -0.02 -0.09 -0.67 0.00 0.00 178.83 178.36 1s40 h ARG 168 N 0.45 0.01 -0.12 1.46 1.12 -1.10 -3.26 114.38 112.93 1s40 h ARG 168 Ca 0.42 -0.01 0.04 0.00 -1.11 0.00 0.00 59.98 59.31 1s40 h ARG 168 Cb 0.95 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.91 1s40 h ARG 168 CO -0.15 0.99 0.12 0.00 -3.11 0.00 0.00 179.97 177.82 1s40 h ALA 169 N 0.02 1.80 -0.04 2.80 0.00 0.01 -1.08 119.26 122.77 1s40 h ALA 169 Ca -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1s40 h ALA 169 Cb 1.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1s40 h ALA 169 CO 0.00 -0.18 -0.04 0.74 0.00 0.00 0.00 179.25 179.78 1s40 h PHE 170 N 0.00 -0.08 0.09 0.00 -1.00 -0.48 0.31 116.94 115.78 1s40 h PHE 170 Ca 0.06 0.01 -0.26 0.00 2.81 0.00 0.00 57.97 60.58 1s40 h PHE 170 Cb 0.30 0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1s40 h PHE 170 CO 0.00 -0.06 -1.21 0.87 -1.61 0.00 0.00 178.31 176.31 1s40 h LYS 171 N -0.05 0.19 -0.08 1.51 1.57 -1.49 -3.33 116.57 114.89 1s40 h LYS 171 Ca 0.03 -0.32 -0.19 0.00 -1.87 0.00 0.00 60.65 58.30 1s40 h LYS 171 Cb 0.09 0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.53 1s40 h LYS 171 CO -0.07 1.14 -0.70 -0.09 -0.57 0.00 0.00 179.45 179.16 1s40 h ARG 172 N 0.05 0.62 -0.34 3.15 1.12 -1.10 -3.29 114.38 114.58 1s40 h ARG 172 Ca -0.11 -0.55 0.06 0.00 -1.11 0.00 0.00 59.98 58.27 1s40 h ARG 172 Cb 1.92 0.13 -0.06 0.00 -0.01 0.00 0.00 29.97 31.96 1s40 h ARG 172 CO 0.18 1.17 -0.00 0.82 -3.11 0.00 0.00 179.97 179.03 1s40 h ILE 173 N 0.26 0.74 0.00 1.20 2.04 -0.51 -3.48 117.51 117.76 1s40 h ILE 173 Ca -0.06 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1s40 h ILE 173 Cb 1.35 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1s40 h ILE 173 CO 0.14 0.02 0.00 0.61 0.00 0.00 0.00 178.15 178.92 1s40 n GLY 174 N -1.25 3.28 0.11 5.37 0.00 -1.24 -4.74 105.19 106.72 1s40 n GLY 174 Ca 0.01 -1.24 0.09 0.00 0.00 0.00 0.00 46.02 44.89 1s40 n GLY 174 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1s40 n GLU 175 N 0.64 0.12 0.01 1.61 2.13 -1.26 -2.59 120.64 121.30 1s40 n GLU 175 Ca 0.00 0.51 -0.13 0.00 0.66 0.00 0.00 57.16 58.21 1s40 n GLU 175 Cb 0.00 -1.82 -0.10 0.00 0.27 0.00 0.00 31.44 29.79 1s40 n GLU 175 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1s40 h SER 176 N 0.00 -0.06 -0.25 4.31 0.87 -1.98 -3.12 113.55 113.31 1s40 h SER 176 Ca 0.00 -0.48 -0.07 0.00 -1.23 0.00 0.00 61.79 60.01 1s40 h SER 176 Cb 0.14 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1s40 h SER 176 CO 0.00 0.47 -0.05 0.00 -0.53 0.00 0.00 176.83 176.73 1s40 h ALA 177 N 0.24 1.23 -0.35 6.23 0.00 -1.79 -2.21 119.26 122.62 1s40 h ALA 177 Ca -0.01 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 54.76 1s40 h ALA 177 Cb 0.54 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1s40 h ALA 177 CO 0.01 0.50 0.27 0.82 0.00 0.00 0.00 179.25 180.85 1s40 h ILE 178 N 0.57 0.77 0.00 0.00 1.08 -1.53 0.24 117.51 118.63 1s40 h ILE 178 Ca 0.11 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.46 1s40 h ILE 178 Cb 0.43 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 1s40 h ILE 178 CO 0.02 0.00 -0.72 0.28 -0.69 0.00 0.00 178.15 177.04 1s40 h SER 179 N 0.00 0.00 -0.10 1.72 0.02 -1.34 0.43 113.55 114.28 1s40 h SER 179 Ca 0.17 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.04 1s40 h SER 179 Cb 0.70 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 1s40 h SER 179 CO -0.00 0.54 -0.18 0.03 -1.14 0.00 0.00 176.83 176.07 1s40 h ARG 180 N 0.00 0.49 -0.57 3.45 2.47 -0.85 -3.35 114.38 116.03 1s40 h ARG 180 Ca -0.04 -0.16 -0.30 0.00 -1.26 0.00 0.00 59.98 58.22 1s40 h ARG 180 Cb 1.44 -0.04 -0.29 0.00 -1.65 0.00 0.00 29.97 29.43 1s40 h ARG 180 CO 0.06 0.66 -0.83 0.66 0.56 0.00 0.00 179.97 181.08 1s40 n TYR 181 N -4.16 -0.41 -0.18 3.04 4.02 -1.15 -4.96 117.16 113.36 1s40 n TYR 181 Ca 0.00 -2.41 -0.01 0.00 -0.01 0.00 0.00 57.90 55.47 1s40 n TYR 181 Cb 0.36 0.48 0.09 0.00 -0.02 0.00 0.00 39.34 40.24 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 2.56 0.30 -0.84 -0.72 -5.15 -1.04 -1.11 116.94 110.94 1s40 h PHE 182 Ca -0.18 0.03 0.06 0.00 -0.20 0.00 0.00 57.97 57.68 1s40 h PHE 182 Cb 1.23 -0.05 -0.05 0.00 0.22 0.00 0.00 35.95 37.30 1s40 h PHE 182 CO 0.34 0.07 0.55 1.05 -2.00 0.00 0.00 178.31 178.32 1s40 h GLU 183 N 0.34 0.93 -0.24 6.09 4.11 -1.93 -1.30 114.58 122.59 1s40 h GLU 183 Ca 0.27 -0.06 -0.07 0.00 0.07 0.00 0.00 59.36 59.57 1s40 h GLU 183 Cb 0.34 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1s40 h GLU 183 CO -0.30 0.61 -0.18 0.93 0.07 0.00 0.00 179.01 180.15 1s40 h GLU 184 N 0.96 0.41 0.12 1.06 5.08 -1.42 -2.40 114.58 118.38 1s40 h GLU 184 Ca 0.36 -0.13 -0.20 0.00 -1.00 0.00 0.00 59.36 58.39 1s40 h GLU 184 Cb 0.18 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.42 1s40 h GLU 184 CO -0.13 0.58 -0.87 -0.92 -1.00 0.00 0.00 179.01 176.67 1s40 h TYR 185 N 0.38 0.65 0.00 4.33 3.20 -0.61 -3.20 116.97 121.71 1s40 h TYR 185 Ca 0.07 -0.44 0.00 0.00 3.14 0.00 0.00 58.73 61.50 1s40 h TYR 185 Cb 0.53 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1s40 h TYR 185 CO 0.01 1.31 0.00 2.89 -1.64 0.00 0.00 178.16 180.74 1s40 n ARG 186 N -4.08 0.09 0.00 1.82 1.85 -0.58 -4.80 116.66 110.97 1s40 n ARG 186 Ca -0.13 0.22 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 1s40 n ARG 186 Cb 0.83 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.74 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 -1.39 0.00 0.00 2.89 0.63 -0.91 -1.55 116.66 116.33 1s40 n ARG 187 Ca 0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 1s40 n ARG 187 Cb 0.13 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.04 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 -1.05 -0.14 -0.00 -1.26 -4.92 117.46 110.09 1s40 n PHE 188 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.15 1s40 n PHE 188 Cb 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 39.48 39.63 1s40 n PHE 188 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 1s40 s PHE 189 N -1.58 2.13 0.59 -5.13 0.40 -0.60 -5.00 117.98 108.79 1s40 s PHE 189 Ca 0.00 1.39 -0.15 0.00 -0.60 0.00 0.00 56.93 57.57 1s40 s PHE 189 Cb 0.00 -3.16 -0.04 0.00 0.51 0.00 0.00 43.02 40.33 1s40 s PHE 189 CO 0.00 -2.53 1.04 -1.25 0.70 0.00 0.00 175.22 173.18 1s40 s PRO 190 N -4.82 3.40 0.00 0.24 0.04 -1.26 -4.79 135.00 127.80 1s40 s PRO 190 Ca 0.64 1.13 0.28 0.00 0.04 0.00 0.00 61.00 63.08 1s40 s PRO 190 Cb -0.19 -2.05 0.96 0.00 0.04 0.00 0.00 34.50 33.26 1s40 s PRO 190 CO 0.58 -0.74 1.69 -0.89 0.04 0.00 0.00 177.00 177.68