#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s40 s MET 6 N 0.00 2.92 -0.12 -1.58 -1.94 -1.26 -5.10 119.30 112.22 1s40 s MET 6 Ca 0.00 -0.44 -0.30 0.00 -1.71 0.00 0.00 55.69 53.24 1s40 s MET 6 Cb 0.00 -2.74 0.12 0.00 2.01 0.00 0.00 34.83 34.22 1s40 s MET 6 CO 0.00 0.69 0.97 0.00 -0.01 0.00 0.00 175.02 176.68 1s40 s ALA 7 N -0.87 -1.91 0.28 3.03 0.00 -1.26 -5.15 121.76 115.89 1s40 s ALA 7 Ca 0.13 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.53 1s40 s ALA 7 Cb -0.11 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.61 1s40 s ALA 7 CO 0.02 -0.41 0.00 0.54 0.00 0.00 0.00 175.76 175.91 1s40 n ARG 8 N 0.46 -2.15 0.00 0.00 5.12 -1.26 -4.82 116.66 114.01 1s40 n ARG 8 Ca -0.10 1.49 0.00 0.00 -1.93 0.00 0.00 57.85 57.31 1s40 n ARG 8 Cb 0.59 -2.65 0.00 0.00 -1.16 0.00 0.00 32.46 29.24 1s40 n ARG 8 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1s40 n LYS 9 N -3.36 0.00 -3.63 5.56 4.81 -1.26 -4.82 118.16 115.46 1s40 n LYS 9 Ca -0.01 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.23 1s40 n LYS 9 Cb 0.62 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.72 1s40 n LYS 9 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1s40 n ASP 10 N -3.94 -1.52 -2.58 3.14 8.00 -1.26 -4.97 116.55 113.41 1s40 n ASP 10 Ca 0.00 -0.78 -0.06 0.00 0.71 0.00 0.00 54.79 54.67 1s40 n ASP 10 Cb 0.00 -4.30 0.04 0.00 -0.02 0.00 0.00 41.12 36.85 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 -4.22 -1.01 -3.91 -0.24 -0.04 -1.26 -4.92 135.00 119.39 1s40 n PRO 11 Ca -0.29 -0.35 -0.10 0.00 -0.04 0.00 0.00 63.50 62.72 1s40 n PRO 11 Cb 0.67 -0.29 -0.10 0.00 -0.04 0.00 0.00 33.50 33.74 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 -1.43 0.10 0.00 0.52 2.01 -1.26 -3.55 115.64 112.03 1s40 s THR 12 Ca 0.14 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.29 1s40 s THR 12 Cb -0.01 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 72.00 1s40 s THR 12 CO 0.10 -0.47 0.00 2.30 -0.69 0.00 0.00 174.62 175.86 1s40 n ILE 13 N 1.32 0.00 -2.76 1.82 -5.35 -1.25 -4.93 119.36 108.22 1s40 n ILE 13 Ca -0.22 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.25 1s40 n ILE 13 Cb 0.56 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 38.48 1s40 n ILE 13 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1s40 s GLU 14 N 1.46 0.35 0.18 6.28 2.12 -1.26 -4.69 118.70 123.13 1s40 s GLU 14 Ca 0.00 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.07 1s40 s GLU 14 Cb 0.00 0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.39 1s40 s GLU 14 CO 0.00 -0.46 0.00 1.19 -0.54 0.00 0.00 175.26 175.45 1s40 n PHE 15 N 3.15 0.00 0.28 5.30 3.72 -1.26 -2.34 117.46 126.31 1s40 n PHE 15 Ca 0.10 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.64 1s40 n PHE 15 Cb 0.63 0.00 0.82 0.00 -0.94 0.00 0.00 39.48 39.99 1s40 n PHE 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s40 n GLN 17 N -3.84 2.79 0.00 0.00 1.13 -0.99 -4.93 117.38 111.55 1s40 n GLN 17 Ca -0.03 -2.04 0.00 0.00 -1.94 0.00 0.00 57.00 52.99 1s40 n GLN 17 Cb 0.14 -1.64 0.00 0.00 0.11 0.00 0.00 30.24 28.85 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 0.85 0.00 0.00 1.08 7.99 -0.03 -4.26 117.00 122.63 1s40 n LEU 18 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.19 1s40 n LEU 18 Cb 0.62 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.93 1s40 n LEU 18 CO 0.16 -0.22 0.00 0.61 -1.51 0.00 0.00 177.39 176.44 1s40 n GLY 19 N 0.00 0.00 2.92 -0.72 0.00 -1.26 -4.96 105.19 101.17 1s40 n GLY 19 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.52 -3.58 0.99 -0.00 -1.26 -4.99 117.00 106.63 1s40 n LEU 20 Ca 0.00 -0.27 -0.05 0.00 -0.00 0.00 0.00 56.01 55.69 1s40 n LEU 20 Cb 0.00 -0.67 -0.02 0.00 -0.00 0.00 0.00 43.42 42.73 1s40 n LEU 20 CO 0.00 -2.85 0.95 -0.62 -0.00 0.00 0.00 177.39 174.87 1s40 s ASP 21 N -1.66 -0.18 0.00 1.96 -1.08 -1.26 -4.95 116.67 109.50 1s40 s ASP 21 Ca 0.23 0.02 0.00 0.00 -0.52 0.00 0.00 52.55 52.29 1s40 s ASP 21 Cb -0.04 0.19 0.00 0.00 -1.46 0.00 0.00 42.92 41.61 1s40 s ASP 21 CO 0.21 -0.29 0.82 0.41 0.52 0.00 0.00 175.17 176.84 1s40 n THR 22 N -0.04 0.00 0.41 1.71 -1.04 -1.26 0.40 114.28 114.45 1s40 n THR 22 Ca -0.02 1.32 0.05 0.00 -2.04 0.00 0.00 64.05 63.36 1s40 n THR 22 Cb 0.59 -1.85 0.22 0.00 -1.82 0.00 0.00 70.33 67.48 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 -2.23 0.00 0.00 -1.42 7.35 -1.26 -4.58 117.46 115.32 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 -0.34 0.00 0.00 0.35 0.00 0.00 39.48 39.49 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 -1.34 1.55 0.00 -4.13 0.00 0.16 -5.07 120.64 111.81 1s40 n GLU 24 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.20 1s40 n GLU 24 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.52 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 -0.18 0.00 -2.50 6.31 -1.04 -1.26 -4.60 114.28 111.00 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 -0.50 0.00 -4.97 -2.82 2.85 -0.77 -4.99 118.16 106.95 1s40 n LYS 26 Ca 0.00 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.98 1s40 n LYS 26 Cb 0.00 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.22 1s40 n LYS 26 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1s40 s TYR 27 N -2.50 1.93 -0.01 5.58 2.02 -1.26 -0.60 117.35 122.51 1s40 s TYR 27 Ca 0.00 -0.56 -0.12 0.00 -0.37 0.00 0.00 57.07 56.02 1s40 s TYR 27 Cb 0.00 -1.29 0.02 0.00 -0.40 0.00 0.00 41.96 40.29 1s40 s TYR 27 CO 0.00 -0.18 0.25 0.96 -1.57 0.00 0.00 175.55 175.01 1s40 s ILE 28 N -0.04 0.07 -0.39 2.71 -4.36 0.13 -4.38 121.20 114.94 1s40 s ILE 28 Ca -0.03 -0.56 -0.18 0.00 -0.26 0.00 0.00 60.65 59.61 1s40 s ILE 28 Cb -0.12 -0.57 0.01 0.00 1.25 0.00 0.00 42.46 43.03 1s40 s ILE 28 CO 0.03 -0.31 0.52 -0.89 0.24 0.00 0.00 174.94 174.53 1s40 s THR 29 N -1.40 4.99 -0.12 8.37 2.01 -1.23 0.35 115.64 128.61 1s40 s THR 29 Ca -0.14 0.10 -0.03 0.00 0.31 0.00 0.00 61.69 61.93 1s40 s THR 29 Cb -0.06 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 1s40 s THR 29 CO 0.03 -0.37 0.00 -0.04 -0.69 0.00 0.00 174.62 173.56 1s40 s MET 30 N 2.43 3.30 0.28 4.92 -1.94 -0.74 -3.76 119.30 123.80 1s40 s MET 30 Ca 0.18 -0.42 0.07 0.00 -1.71 0.00 0.00 55.69 53.80 1s40 s MET 30 Cb -0.15 -2.89 -0.03 0.00 2.01 0.00 0.00 34.83 33.77 1s40 s MET 30 CO 0.15 0.53 0.29 -0.06 -0.01 0.00 0.00 175.02 175.92 1s40 s PHE 31 N -0.41 3.14 0.00 -0.03 0.40 -1.26 -3.32 117.98 116.50 1s40 s PHE 31 Ca 0.08 -0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.26 1s40 s PHE 31 Cb -0.12 -1.61 0.00 0.00 0.51 0.00 0.00 43.02 41.80 1s40 s PHE 31 CO 0.02 0.35 0.00 0.41 0.70 0.00 0.00 175.22 176.71 1s40 n GLY 32 N -1.34 -1.00 3.20 4.36 0.00 -1.25 -4.78 105.19 104.38 1s40 n GLY 32 Ca -0.06 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 1s40 n GLY 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1s40 s MET 33 N -2.00 3.14 0.15 1.61 1.75 0.17 -2.88 119.30 121.24 1s40 s MET 33 Ca 0.00 -0.76 -0.31 0.00 -1.25 0.00 0.00 55.69 53.37 1s40 s MET 33 Cb 0.00 -2.70 -0.18 0.00 2.84 0.00 0.00 34.83 34.79 1s40 s MET 33 CO 0.00 -0.16 0.67 -0.11 -0.65 0.00 0.00 175.02 174.76 1s40 n LEU 34 N 4.56 -0.89 0.00 4.11 0.00 -1.22 -0.53 117.00 123.02 1s40 n LEU 34 Ca -0.20 1.14 0.00 0.00 0.00 0.00 0.00 56.01 56.95 1s40 n LEU 34 Cb 0.51 -0.95 0.00 0.00 0.00 0.00 0.00 43.42 42.98 1s40 n LEU 34 CO 0.27 -2.70 -0.32 0.52 0.00 0.00 0.00 177.39 175.17 1s40 n VAL 35 N 0.38 0.00 -3.63 1.96 0.31 -1.01 -4.43 118.33 111.92 1s40 n VAL 35 Ca 0.18 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.40 1s40 n VAL 35 Cb 0.21 -0.43 -0.07 0.00 -0.91 0.00 0.00 33.84 32.64 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 -3.13 -0.55 -0.15 4.52 0.01 -1.17 -3.12 113.70 110.12 1s40 s SER 36 Ca 0.00 1.04 -0.01 0.00 1.31 0.00 0.00 55.95 58.29 1s40 s SER 36 Cb 0.00 1.04 0.04 0.00 0.21 0.00 0.00 66.02 67.31 1s40 s SER 36 CO 0.00 -0.20 -0.04 0.00 0.41 0.00 0.00 173.24 173.41 1s40 s SER 38 N 1.72 5.74 -0.38 0.00 0.01 -0.00 -4.93 113.70 115.85 1s40 s SER 38 Ca 0.02 0.13 0.06 0.00 1.31 0.00 0.00 55.95 57.46 1s40 s SER 38 Cb -0.15 -1.97 0.53 0.00 0.21 0.00 0.00 66.02 64.64 1s40 s SER 38 CO -0.07 0.20 1.61 2.22 0.41 0.00 0.00 173.24 177.60 1s40 n PHE 39 N 3.39 2.05 -0.02 2.43 1.16 -1.26 0.22 117.46 125.43 1s40 n PHE 39 Ca -0.17 -1.97 -0.22 0.00 -1.87 0.00 0.00 57.45 53.23 1s40 n PHE 39 Cb 0.52 -0.72 -0.13 0.00 -1.61 0.00 0.00 39.48 37.54 1s40 n PHE 39 CO 0.00 0.00 0.00 0.22 -1.87 0.00 0.00 176.76 175.11 1s40 h ASP 40 N 1.31 0.33 -1.69 5.98 1.82 -1.94 -3.47 116.42 118.75 1s40 h ASP 40 Ca 0.39 -0.84 -0.68 0.00 -0.39 0.00 0.00 57.03 55.51 1s40 h ASP 40 Cb 1.77 -0.11 0.07 0.00 0.68 0.00 0.00 39.33 41.74 1s40 h ASP 40 CO 0.77 1.76 0.30 0.29 -1.61 0.00 0.00 179.24 180.76 1s40 n LYS 41 N -3.74 0.99 0.00 0.28 4.76 -1.25 -4.80 118.16 114.41 1s40 n LYS 41 Ca -0.31 0.36 0.09 0.00 -2.87 0.00 0.00 58.31 55.58 1s40 n LYS 41 Cb 0.96 -1.90 0.49 0.00 -1.84 0.00 0.00 35.03 32.73 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 2.05 0.33 -0.00 1.97 -0.04 -1.26 -2.83 135.00 135.22 1s40 n PRO 42 Ca 0.17 0.09 0.07 0.00 -0.04 0.00 0.00 63.50 63.79 1s40 n PRO 42 Cb 0.20 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.07 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 -1.23 3.13 0.00 0.55 0.00 -1.26 -5.08 120.51 116.62 1s40 n ALA 43 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1s40 n ALA 43 Cb 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.65 0.00 -3.87 0.00 1.16 -1.13 -4.49 117.46 107.48 1s40 n PHE 44 Ca -0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.23 1s40 n PHE 44 Cb 0.29 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.03 1s40 n PHE 44 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1s40 s ILE 45 N -3.00 2.99 -0.48 1.97 1.09 -1.26 -3.76 121.20 118.76 1s40 s ILE 45 Ca 0.00 -1.91 -0.44 0.00 -1.10 0.00 0.00 60.65 57.20 1s40 s ILE 45 Cb 0.00 -2.98 -0.19 0.00 -1.06 0.00 0.00 42.46 38.24 1s40 s ILE 45 CO 0.00 -0.49 1.94 -1.20 -0.10 0.00 0.00 174.94 175.09 1s40 n SER 46 N 4.53 1.10 -4.16 3.58 7.64 0.13 -4.55 113.62 121.90 1s40 n SER 46 Ca -0.04 0.85 -0.36 0.00 1.01 0.00 0.00 58.87 60.32 1s40 n SER 46 Cb 0.42 -0.93 -0.12 0.00 -1.01 0.00 0.00 64.21 62.57 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 4.96 3.47 -0.33 1.43 0.08 0.46 -0.82 117.98 127.23 1s40 s PHE 47 Ca 1.13 -2.15 -0.10 0.00 0.12 0.00 0.00 56.93 55.93 1s40 s PHE 47 Cb -1.43 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 38.13 1s40 s PHE 47 CO 0.70 -0.91 0.17 0.08 -0.10 0.00 0.00 175.22 175.16 1s40 s VAL 48 N 1.21 4.62 0.66 -0.44 1.01 -0.97 0.18 120.40 126.67 1s40 s VAL 48 Ca 0.04 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1s40 s VAL 48 Cb -0.22 -3.43 0.13 0.00 0.00 0.00 0.00 36.38 32.86 1s40 s VAL 48 CO -0.02 -0.03 0.90 0.49 0.00 0.00 0.00 175.10 176.44 1s40 n PHE 49 N 4.99 -2.79 -4.41 5.22 3.72 -0.91 -2.39 117.46 120.89 1s40 n PHE 49 Ca -0.13 -1.77 -0.20 0.00 -0.05 0.00 0.00 57.45 55.30 1s40 n PHE 49 Cb 0.48 -0.65 -0.10 0.00 -0.94 0.00 0.00 39.48 38.27 1s40 n PHE 49 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1s40 s SER 50 N -4.76 2.23 0.00 4.37 0.01 0.31 -2.57 113.70 113.28 1s40 s SER 50 Ca 0.62 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1s40 s SER 50 Cb -0.04 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.13 1s40 s SER 50 CO 0.41 -0.54 0.00 -0.90 0.41 0.00 0.00 173.24 172.61 1s40 n ASP 51 N -0.58 0.00 0.00 2.44 5.75 -1.26 0.46 116.55 123.35 1s40 n ASP 51 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 1s40 n ASP 51 Cb 0.65 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 1s40 n ASP 51 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1s40 n PHE 52 N 0.00 0.00 -0.45 2.11 3.72 -1.26 -4.67 117.46 116.91 1s40 n PHE 52 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1s40 n PHE 52 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1s40 n PHE 52 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1s40 n THR 53 N 0.00 0.00 -3.35 4.37 -2.24 -1.26 -4.65 114.28 107.15 1s40 n THR 53 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 1s40 n THR 53 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 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 0.00 0.43 0.72 -0.78 1.02 -1.26 -4.85 119.74 115.02 1s40 s LYS 54 Ca 0.00 -0.19 -0.16 0.00 0.02 0.00 0.00 55.97 55.64 1s40 s LYS 54 Cb 0.00 -0.52 -0.03 0.00 -0.52 0.00 0.00 37.83 36.75 1s40 s LYS 54 CO 0.00 -1.07 0.58 -1.71 -0.92 0.00 0.00 175.35 172.23 1s40 n ASN 55 N 5.10 -0.99 -0.00 2.83 2.85 -0.92 -2.59 115.26 121.54 1s40 n ASN 55 Ca 0.02 0.60 0.04 0.00 -0.11 0.00 0.00 54.58 55.13 1s40 n ASN 55 Cb 0.47 -1.24 -0.05 0.00 1.24 0.00 0.00 39.78 40.21 1s40 n ASN 55 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1s40 n ASP 56 N -0.44 1.04 -4.92 1.20 -0.08 -1.26 -4.84 116.55 107.25 1s40 n ASP 56 Ca 0.10 -0.51 -0.26 0.00 -1.51 0.00 0.00 54.79 52.61 1s40 n ASP 56 Cb 0.50 1.08 0.04 0.00 2.34 0.00 0.00 41.12 45.08 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 -1.88 3.21 -0.12 5.18 1.01 -1.26 -5.00 121.20 122.34 1s40 s ILE 57 Ca 0.01 -0.08 0.17 0.00 0.00 0.00 0.00 60.65 60.75 1s40 s ILE 57 Cb 0.05 -3.31 -0.14 0.00 0.01 0.00 0.00 42.46 39.07 1s40 s ILE 57 CO 0.30 -0.32 0.79 0.55 0.00 0.00 0.00 174.94 176.26 1s40 n VAL 58 N -2.69 1.18 0.00 2.92 3.14 -1.26 -5.02 118.33 116.60 1s40 n VAL 58 Ca 0.06 -0.70 0.00 0.00 -2.96 0.00 0.00 64.34 60.74 1s40 n VAL 58 Cb 0.58 -0.73 0.00 0.00 -1.06 0.00 0.00 33.84 32.64 1s40 n VAL 58 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1s40 n GLN 59 N -2.88 0.00 0.00 1.45 10.64 -1.26 -4.84 117.38 120.49 1s40 n GLN 59 Ca -0.10 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.07 1s40 n GLN 59 Cb 0.85 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.23 1s40 n GLN 59 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1s40 n ASN 60 N -2.42 0.00 -0.02 2.61 3.02 -1.26 -4.67 115.26 112.53 1s40 n ASN 60 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.69 1s40 n ASN 60 Cb 0.00 0.00 0.67 0.00 -0.61 0.00 0.00 39.78 39.84 1s40 n ASN 60 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s40 n TYR 61 N 0.00 0.00 -1.81 3.10 9.36 -1.26 -4.86 117.16 121.69 1s40 n TYR 61 Ca 0.00 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.12 1s40 n TYR 61 Cb 0.00 -0.33 -0.03 0.00 -0.63 0.00 0.00 39.34 38.35 1s40 n TYR 61 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1s40 n LEU 62 N -1.31 -0.83 -3.91 2.98 4.77 -1.26 -4.85 117.00 112.58 1s40 n LEU 62 Ca 0.12 0.25 -0.13 0.00 -0.03 0.00 0.00 56.01 56.22 1s40 n LEU 62 Cb 0.28 -1.78 0.08 0.00 -2.33 0.00 0.00 43.42 39.68 1s40 n LEU 62 CO 0.25 -0.34 -0.15 0.00 -1.33 0.00 0.00 177.39 175.81 1s40 n TYR 63 N -2.36 -1.86 -2.15 -1.77 9.36 -1.26 -4.46 117.16 112.65 1s40 n TYR 63 Ca -0.11 0.30 -0.06 0.00 3.32 0.00 0.00 57.90 61.36 1s40 n TYR 63 Cb 0.45 -1.38 0.03 0.00 -0.63 0.00 0.00 39.34 37.80 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 0.72 -3.64 0.00 2.98 8.00 -1.26 -4.68 116.55 118.67 1s40 n ASP 64 Ca 0.03 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.27 1s40 n ASP 64 Cb 0.25 -2.22 0.00 0.00 -0.02 0.00 0.00 41.12 39.13 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 -2.13 0.00 0.30 -1.24 1.85 -1.26 -3.15 116.66 111.03 1s40 n ARG 65 Ca -0.03 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.95 1s40 n ARG 65 Cb 0.54 0.00 0.62 0.00 -1.05 0.00 0.00 32.46 32.58 1s40 n ARG 65 CO 0.00 0.00 0.00 1.88 -0.01 0.00 0.00 177.63 179.50 1s40 h TYR 66 N 0.00 0.00 -2.43 2.89 0.05 -1.93 -3.45 116.97 112.11 1s40 h TYR 66 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1s40 h TYR 66 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1s40 h TYR 66 CO 0.00 0.00 -0.58 -0.11 -1.05 0.00 0.00 178.16 176.42 1s40 n LEU 67 N -2.87 -3.63 0.00 3.88 0.00 -1.26 -4.65 117.00 108.48 1s40 n LEU 67 Ca -0.00 1.96 0.00 0.00 0.00 0.00 0.00 56.01 57.96 1s40 n LEU 67 Cb 0.56 -1.51 0.00 0.00 0.00 0.00 0.00 43.42 42.48 1s40 n LEU 67 CO 0.12 -0.14 0.36 2.30 0.00 0.00 0.00 177.39 180.02 1s40 n ILE 68 N -0.27 0.00 -1.54 1.96 -5.35 -1.26 -3.97 119.36 108.92 1s40 n ILE 68 Ca 0.00 1.18 -0.48 0.00 -0.27 0.00 0.00 62.75 63.18 1s40 n ILE 68 Cb 0.00 -1.64 -0.05 0.00 -1.74 0.00 0.00 39.64 36.21 1s40 n ILE 68 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1s40 n ASP 69 N -2.06 2.74 -1.81 7.28 8.00 -1.26 -4.79 116.55 124.65 1s40 n ASP 69 Ca 0.00 0.47 -0.14 0.00 0.71 0.00 0.00 54.79 55.83 1s40 n ASP 69 Cb 0.00 -1.37 0.04 0.00 -0.02 0.00 0.00 41.12 39.77 1s40 n ASP 69 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1s40 n TYR 70 N 9.72 1.34 0.04 1.24 4.02 -1.25 -4.16 117.16 128.11 1s40 n TYR 70 Ca 0.34 -1.75 0.00 0.00 -0.01 0.00 0.00 57.90 56.47 1s40 n TYR 70 Cb 0.31 -0.86 0.00 0.00 -0.02 0.00 0.00 39.34 38.77 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 0.41 0.00 0.06 -0.72 2.13 -1.26 -4.72 120.64 116.54 1s40 n GLU 71 Ca 0.26 0.00 0.06 0.00 0.66 0.00 0.00 57.16 58.14 1s40 n GLU 71 Cb 0.62 -0.49 0.30 0.00 0.27 0.00 0.00 31.44 32.13 1s40 n GLU 71 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1s40 n ASN 72 N -3.42 0.24 -2.81 4.31 4.13 -1.26 -4.91 115.26 111.54 1s40 n ASN 72 Ca 0.00 0.59 -0.09 0.00 1.68 0.00 0.00 54.58 56.76 1s40 n ASN 72 Cb 0.08 -0.63 0.01 0.00 -1.54 0.00 0.00 39.78 37.69 1s40 n ASN 72 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1s40 n LYS 73 N -1.80 -0.57 -1.19 3.52 4.76 -1.26 -4.69 118.16 116.92 1s40 n LYS 73 Ca 0.01 0.77 -0.37 0.00 -2.87 0.00 0.00 58.31 55.85 1s40 n LYS 73 Cb 0.09 -1.02 0.01 0.00 -1.84 0.00 0.00 35.03 32.27 1s40 n LYS 73 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1s40 n LEU 74 N 0.80 -3.55 -4.97 -0.35 0.00 -1.26 -4.94 117.00 102.72 1s40 n LEU 74 Ca -0.02 0.62 -0.22 0.00 0.00 0.00 0.00 56.01 56.39 1s40 n LEU 74 Cb 0.45 -0.81 0.05 0.00 0.00 0.00 0.00 43.42 43.11 1s40 n LEU 74 CO 0.12 -4.61 0.41 -1.83 0.00 0.00 0.00 177.39 171.49 1s40 s GLU 75 N -0.98 2.41 0.00 1.96 -1.05 -1.26 -4.97 118.70 114.81 1s40 s GLU 75 Ca 0.54 -0.76 0.18 0.00 -0.15 0.00 0.00 54.97 54.78 1s40 s GLU 75 Cb -0.47 -2.44 0.75 0.00 -0.44 0.00 0.00 34.13 31.53 1s40 s GLU 75 CO 0.64 -0.85 1.53 1.28 0.95 0.00 0.00 175.26 178.80 1s40 n LEU 76 N -2.46 1.13 -1.17 1.83 4.77 -1.26 -3.49 117.00 116.35 1s40 n LEU 76 Ca 0.09 -0.49 0.12 0.00 -0.03 0.00 0.00 56.01 55.69 1s40 n LEU 76 Cb 0.60 -0.08 0.26 0.00 -2.33 0.00 0.00 43.42 41.86 1s40 n LEU 76 CO 0.46 0.24 0.73 -3.20 -1.33 0.00 0.00 177.39 174.29 1s40 n ASN 77 N -0.01 3.47 0.00 -1.43 2.85 -1.26 -4.72 115.26 114.16 1s40 n ASN 77 Ca 0.14 -1.98 0.00 0.00 -0.11 0.00 0.00 54.58 52.63 1s40 n ASN 77 Cb 0.23 -0.32 0.00 0.00 1.24 0.00 0.00 39.78 40.93 1s40 n ASN 77 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1s40 n GLU 78 N 1.45 0.00 -0.85 1.20 1.02 -1.23 -2.17 120.64 120.06 1s40 n GLU 78 Ca 0.21 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 57.04 1s40 n GLU 78 Cb 0.59 0.00 0.26 0.00 -0.02 0.00 0.00 31.44 32.27 1s40 n GLU 78 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1s40 s GLY 79 N -2.55 1.53 0.22 0.62 0.00 -1.26 -4.38 107.32 101.50 1s40 s GLY 79 Ca 0.00 -0.96 -0.22 0.00 0.00 0.00 0.00 44.72 43.53 1s40 s GLY 79 CO 0.00 -0.01 0.74 -0.11 0.00 0.00 0.00 173.10 173.71 1s40 s PHE 80 N -2.78 -0.27 0.00 1.90 -0.71 -1.06 -4.91 117.98 110.15 1s40 s PHE 80 Ca 0.71 -0.09 -0.09 0.00 -1.04 0.00 0.00 56.93 56.41 1s40 s PHE 80 Cb -0.10 0.66 -0.05 0.00 -1.21 0.00 0.00 43.02 42.32 1s40 s PHE 80 CO 0.56 -1.06 0.31 0.21 -1.34 0.00 0.00 175.22 173.90 1s40 s LYS 81 N -3.75 3.67 0.02 1.99 2.47 -1.26 -2.14 119.74 120.73 1s40 s LYS 81 Ca 0.09 0.07 0.01 0.00 -1.56 0.00 0.00 55.97 54.58 1s40 s LYS 81 Cb -0.04 -3.11 -0.01 0.00 -1.46 0.00 0.00 37.83 33.21 1s40 s LYS 81 CO 0.01 0.66 -0.04 0.00 0.16 0.00 0.00 175.35 176.14 1s40 s ALA 82 N -1.23 0.24 -0.01 3.13 0.00 0.47 -4.55 121.76 119.82 1s40 s ALA 82 Ca 0.26 -0.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.75 1s40 s ALA 82 Cb -0.14 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.03 1s40 s ALA 82 CO 0.14 -0.05 0.07 0.96 0.00 0.00 0.00 175.76 176.88 1s40 s ILE 83 N -0.89 0.05 -0.02 0.00 -4.36 -1.13 0.18 121.20 115.03 1s40 s ILE 83 Ca -0.08 -0.44 -0.13 0.00 -0.26 0.00 0.00 60.65 59.74 1s40 s ILE 83 Cb -0.06 -0.25 0.02 0.00 1.25 0.00 0.00 42.46 43.41 1s40 s ILE 83 CO -0.00 -0.24 0.26 0.00 0.24 0.00 0.00 174.94 175.20 1s40 s MET 84 N -0.77 0.60 0.23 0.37 0.23 -1.26 0.06 119.30 118.75 1s40 s MET 84 Ca -0.09 -0.21 -0.29 0.00 -1.03 0.00 0.00 55.69 54.08 1s40 s MET 84 Cb -0.05 0.26 -0.16 0.00 -1.53 0.00 0.00 34.83 33.35 1s40 s MET 84 CO 0.00 -0.16 0.76 0.98 -2.03 0.00 0.00 175.02 174.58 1s40 n TYR 85 N 1.42 0.34 -0.29 3.16 9.36 -1.26 -4.37 117.16 125.53 1s40 n TYR 85 Ca -0.21 0.85 0.31 0.00 3.32 0.00 0.00 57.90 62.16 1s40 n TYR 85 Cb 0.56 -2.10 0.69 0.00 -0.63 0.00 0.00 39.34 37.86 1s40 n TYR 85 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1s40 h LYS 86 N 1.57 0.09 -0.09 2.98 1.57 -1.96 0.68 116.57 121.41 1s40 h LYS 86 Ca -0.34 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 1s40 h LYS 86 Cb 1.39 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.68 1s40 h LYS 86 CO 0.59 0.06 0.03 -0.97 -0.57 0.00 0.00 179.45 178.59 1s40 h ASN 87 N 0.09 0.13 0.15 0.86 -1.24 -1.98 0.31 115.58 113.89 1s40 h ASN 87 Ca 0.54 -0.20 -0.03 0.00 0.71 0.00 0.00 56.30 57.31 1s40 h ASN 87 Cb 1.95 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 40.96 1s40 h ASN 87 CO -0.07 0.29 -0.14 -0.61 -1.29 0.00 0.00 177.43 175.61 1s40 h GLN 88 N -0.05 0.00 -0.25 6.67 4.15 -0.12 0.74 115.11 126.24 1s40 h GLN 88 Ca 0.03 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 1s40 h GLN 88 Cb 0.21 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1s40 h GLN 88 CO -0.00 0.14 -0.00 0.35 -1.93 0.00 0.00 178.83 177.39 1s40 h PHE 89 N 0.00 0.49 -0.20 3.99 3.57 0.53 0.45 116.94 125.76 1s40 h PHE 89 Ca -0.00 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 1s40 h PHE 89 Cb 0.26 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1s40 h PHE 89 CO 0.00 0.61 0.12 0.93 -2.23 0.00 0.00 178.31 177.74 1s40 h GLU 90 N 0.22 0.28 -0.83 1.11 5.08 0.61 0.19 114.58 121.24 1s40 h GLU 90 Ca 0.07 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1s40 h GLU 90 Cb 0.42 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1s40 h GLU 90 CO 0.01 0.25 0.55 1.15 -1.00 0.00 0.00 179.01 179.97 1s40 h THR 91 N 0.23 1.10 0.00 1.13 2.02 -0.67 0.18 112.91 116.90 1s40 h THR 91 Ca 0.07 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 66.80 1s40 h THR 91 Cb 0.05 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.47 1s40 h THR 91 CO -0.01 0.18 -0.53 0.15 0.37 0.00 0.00 175.52 175.67 1s40 h PHE 92 N 0.98 0.00 0.00 3.16 3.57 0.84 -2.88 116.94 122.62 1s40 h PHE 92 Ca 0.34 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1s40 h PHE 92 Cb 0.11 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1s40 h PHE 92 CO -0.00 0.53 -0.04 0.22 -2.23 0.00 0.00 178.31 176.79 1s40 h ASP 93 N 0.00 0.03 -0.96 0.41 3.58 0.12 -2.82 116.42 116.78 1s40 h ASP 93 Ca -0.01 -0.85 0.21 0.00 0.42 0.00 0.00 57.03 56.80 1s40 h ASP 93 Cb 0.99 -0.01 -0.08 0.00 1.72 0.00 0.00 39.33 41.95 1s40 h ASP 93 CO 0.07 0.88 0.62 -1.28 -2.88 0.00 0.00 179.24 176.65 1s40 h SER 94 N -0.81 0.53 -0.19 2.28 0.87 -0.76 1.05 113.55 116.51 1s40 h SER 94 Ca -0.01 0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.53 1s40 h SER 94 Cb 0.89 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 1s40 h SER 94 CO 0.01 0.19 -0.16 0.11 -0.53 0.00 0.00 176.83 176.44 1s40 h LYS 95 N 0.52 0.61 -0.06 2.24 1.79 -1.52 -2.87 116.57 117.28 1s40 h LYS 95 Ca 0.53 -0.20 -0.25 0.00 -2.18 0.00 0.00 60.65 58.54 1s40 h LYS 95 Cb 1.15 -0.05 0.02 0.00 -1.58 0.00 0.00 32.23 31.77 1s40 h LYS 95 CO -0.26 0.74 -0.94 -0.07 -1.08 0.00 0.00 179.45 177.84 1s40 h LEU 96 N 0.55 0.92 -1.77 2.94 3.38 0.10 -3.12 115.31 118.32 1s40 h LEU 96 Ca 0.09 -0.70 0.05 0.00 0.09 0.00 0.00 57.88 57.41 1s40 h LEU 96 Cb 0.60 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1s40 h LEU 96 CO 0.04 1.49 0.47 0.03 0.09 0.00 0.00 178.44 180.56 1s40 h ARG 97 N 0.44 0.00 0.00 1.13 3.08 0.66 0.80 114.38 120.49 1s40 h ARG 97 Ca -0.10 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 1s40 h ARG 97 Cb 1.59 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.62 1s40 h ARG 97 CO 0.19 0.00 -0.61 0.87 -1.07 0.00 0.00 179.97 179.34 1s40 h LYS 98 N 0.00 0.00 -0.00 0.04 1.79 -1.53 2.10 116.57 118.96 1s40 h LYS 98 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1s40 h LYS 98 Cb 1.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1s40 h LYS 98 CO -0.00 0.40 -0.86 -0.89 -1.08 0.00 0.00 179.45 177.02 1s40 n ILE 99 N -3.14 0.00 -0.50 1.86 5.41 0.24 -4.39 119.36 118.84 1s40 n ILE 99 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1s40 n ILE 99 Cb 0.72 1.06 0.00 0.00 -0.71 0.00 0.00 39.64 40.71 1s40 n ILE 99 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1s40 n PHE 100 N -1.14 0.00 -0.81 1.39 3.72 0.11 -4.99 117.46 115.74 1s40 n PHE 100 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1s40 n PHE 100 Cb 0.36 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 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 -0.08 -4.12 -3.49 4.37 2.85 0.71 -4.86 115.26 110.63 1s40 n ASN 101 Ca 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.35 1s40 n ASN 101 Cb 0.12 -3.06 -0.04 0.00 1.24 0.00 0.00 39.78 38.04 1s40 n ASN 101 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1s40 s ASN 102 N -1.88 0.49 0.25 1.20 -0.87 -1.21 -4.96 114.94 107.95 1s40 s ASN 102 Ca 0.00 -1.28 0.06 0.00 -1.57 0.00 0.00 52.86 50.07 1s40 s ASN 102 Cb 0.00 0.64 -0.03 0.00 -0.02 0.00 0.00 41.25 41.84 1s40 s ASN 102 CO 0.00 -1.26 0.28 -0.83 -2.57 0.00 0.00 177.10 172.71 1s40 s GLY 103 N -3.15 1.31 0.35 0.66 0.00 -1.26 -3.12 107.32 102.10 1s40 s GLY 103 Ca 0.27 -1.33 0.16 0.00 0.00 0.00 0.00 44.72 43.82 1s40 s GLY 103 CO 0.16 -1.36 1.64 1.41 0.00 0.00 0.00 173.10 174.95 1s40 h LEU 104 N 1.34 0.45 -0.94 0.66 4.07 -1.98 0.51 115.31 119.42 1s40 h LEU 104 Ca -0.50 0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.66 1s40 h LEU 104 Cb 1.23 0.17 -0.05 0.00 1.08 0.00 0.00 40.66 43.10 1s40 h LEU 104 CO 0.61 -0.21 0.56 0.08 -1.08 0.00 0.00 178.44 178.40 1s40 h ARG 105 N 0.24 1.29 0.00 1.13 -0.00 -1.93 -1.68 114.38 113.43 1s40 h ARG 105 Ca 0.76 -0.12 0.00 0.00 -0.00 0.00 0.00 59.98 60.62 1s40 h ARG 105 Cb 1.80 -0.27 0.00 0.00 -0.00 0.00 0.00 29.97 31.50 1s40 h ARG 105 CO -0.65 0.90 0.00 -0.44 -0.00 0.00 0.00 179.97 179.78 1s40 h ASP 106 N 1.30 0.00 0.65 0.08 5.19 -0.37 -3.06 116.42 120.22 1s40 h ASP 106 Ca 0.34 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.66 1s40 h ASP 106 Cb -0.05 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 1s40 h ASP 106 CO -0.06 0.00 -0.40 -0.07 -3.12 0.00 0.00 179.24 175.59 1s40 h LEU 107 N 0.00 0.00 -9.09 1.55 3.38 -0.43 -3.43 115.31 107.28 1s40 h LEU 107 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1s40 h LEU 107 Cb 0.70 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.26 1s40 h LEU 107 CO 0.00 0.40 -0.78 0.00 0.09 0.00 0.00 178.44 178.15 1s40 s GLN 108 N -3.79 2.01 0.00 1.13 -2.07 -1.16 -5.01 119.66 110.77 1s40 s GLN 108 Ca -0.01 -1.04 0.00 0.00 -1.82 0.00 0.00 55.36 52.48 1s40 s GLN 108 Cb 0.12 -2.21 0.00 0.00 -1.09 0.00 0.00 33.01 29.84 1s40 s GLN 108 CO 0.70 0.52 0.21 0.27 -1.32 0.00 0.00 175.29 175.67 1s40 n ASN 109 N 1.10 0.42 0.00 12.60 6.94 -1.26 -4.92 115.26 130.14 1s40 n ASN 109 Ca -0.15 -0.76 0.00 0.00 -0.02 0.00 0.00 54.58 53.65 1s40 n ASN 109 Cb 0.52 0.24 0.00 0.00 -2.36 0.00 0.00 39.78 38.18 1s40 n ASN 109 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1s40 n GLY 110 N 0.24 1.01 0.00 4.83 0.00 -1.26 -5.12 105.19 104.89 1s40 n GLY 110 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 1.61 1.74 -1.26 -4.82 116.66 113.93 1s40 n ARG 111 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1s40 n ARG 111 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 0.00 0.00 0.55 9.92 -1.26 -4.74 116.55 121.02 1s40 n ASP 112 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1s40 n ASP 112 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1s40 n ASP 112 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1s40 n GLU 113 N 0.00 0.00 -2.32 -1.24 2.13 -1.26 -4.74 120.64 113.21 1s40 n GLU 113 Ca 0.00 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.47 1s40 n GLU 113 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1s40 n GLU 113 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1s40 s ASN 114 N 0.00 5.91 -1.37 4.31 4.22 -1.26 -3.84 114.94 122.91 1s40 s ASN 114 Ca 0.00 -1.61 -0.09 0.00 -2.14 0.00 0.00 52.86 49.02 1s40 s ASN 114 Cb 0.00 -2.58 0.10 0.00 1.28 0.00 0.00 41.25 40.05 1s40 s ASN 114 CO 0.00 -2.10 2.23 0.18 -2.04 0.00 0.00 177.10 175.37 1s40 n LEU 115 N 11.31 7.40 -0.19 3.54 4.77 -1.18 -4.45 117.00 138.20 1s40 n LEU 115 Ca 0.42 -4.60 0.06 0.00 -0.03 0.00 0.00 56.01 51.86 1s40 n LEU 115 Cb 0.48 -1.48 0.11 0.00 -2.33 0.00 0.00 43.42 40.19 1s40 n LEU 115 CO 0.68 1.64 0.57 -1.54 -1.33 0.00 0.00 177.39 177.40 1s40 n SER 116 N 3.54 2.46 -0.00 -1.43 3.41 -1.26 -4.59 113.62 115.75 1s40 n SER 116 Ca 0.54 -2.63 0.14 0.00 -0.26 0.00 0.00 58.87 56.65 1s40 n SER 116 Cb 0.31 -0.28 0.59 0.00 -0.26 0.00 0.00 64.21 64.57 1s40 n SER 116 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s40 n GLN 117 N -0.86 0.07 -0.09 4.33 6.02 -1.26 -3.90 117.38 121.69 1s40 n GLN 117 Ca 0.11 -0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 56.97 1s40 n GLN 117 Cb 0.52 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.20 1s40 n GLN 117 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1s40 n TYR 118 N -1.46 0.00 -0.11 1.08 4.01 -1.26 -3.83 117.16 115.59 1s40 n TYR 118 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1s40 n TYR 118 Cb 0.33 -0.66 0.00 0.00 -0.31 0.00 0.00 39.34 38.70 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 2.66 0.38 2.33 2.72 0.00 -1.25 -4.79 105.19 107.24 1s40 n GLY 119 Ca -0.30 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.51 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 2.56 0.98 -1.77 -0.61 5.41 -1.26 -5.01 119.36 119.67 1s40 n ILE 120 Ca 0.00 -4.69 -0.41 0.00 1.00 0.00 0.00 62.75 58.65 1s40 n ILE 120 Cb 0.00 -1.99 -0.00 0.00 -0.71 0.00 0.00 39.64 36.94 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 1.06 1.80 -3.68 1.39 0.31 -1.26 -3.45 118.33 114.51 1s40 n VAL 121 Ca 0.26 -0.45 -0.13 0.00 -0.01 0.00 0.00 64.34 64.01 1s40 n VAL 121 Cb 0.47 -1.96 -0.08 0.00 -0.91 0.00 0.00 33.84 31.36 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 0.40 3.85 -0.18 0.00 -2.85 -0.71 -3.91 119.74 116.34 1s40 s LYS 123 Ca -0.01 0.32 -0.15 0.00 -1.00 0.00 0.00 55.97 55.13 1s40 s LYS 123 Cb -0.04 -2.84 0.05 0.00 -2.06 0.00 0.00 37.83 32.94 1s40 s LYS 123 CO -0.01 0.44 0.47 -1.64 0.10 0.00 0.00 175.35 174.71 1s40 s MET 124 N -2.29 0.54 -0.41 1.78 1.00 -1.21 -2.41 119.30 116.28 1s40 s MET 124 Ca 0.40 0.70 -0.23 0.00 0.00 0.00 0.00 55.69 56.56 1s40 s MET 124 Cb -0.13 0.23 0.02 0.00 0.00 0.00 0.00 34.83 34.94 1s40 s MET 124 CO 0.20 -0.08 0.79 1.21 0.00 0.00 0.00 175.02 177.14 1s40 s ASN 125 N 0.46 6.47 0.00 3.03 2.47 -1.26 -1.78 114.94 124.32 1s40 s ASN 125 Ca -0.02 0.10 0.03 0.00 0.42 0.00 0.00 52.86 53.39 1s40 s ASN 125 Cb -0.04 -2.39 -0.03 0.00 -1.45 0.00 0.00 41.25 37.33 1s40 s ASN 125 CO -0.02 -0.85 -0.04 -0.63 -3.72 0.00 0.00 177.10 171.84 1s40 s ILE 126 N 3.24 3.82 -0.38 -5.21 1.01 0.16 0.19 121.20 124.03 1s40 s ILE 126 Ca 0.31 -0.71 -0.11 0.00 0.00 0.00 0.00 60.65 60.13 1s40 s ILE 126 Cb -0.12 -2.68 0.03 0.00 0.01 0.00 0.00 42.46 39.70 1s40 s ILE 126 CO 0.21 0.39 0.21 -0.54 0.00 0.00 0.00 174.94 175.21 1s40 s LYS 127 N -1.46 2.82 -0.11 2.79 3.01 -1.00 0.18 119.74 125.96 1s40 s LYS 127 Ca 0.18 -1.09 -0.12 0.00 -1.01 0.00 0.00 55.97 53.93 1s40 s LYS 127 Cb -0.11 -3.75 -0.05 0.00 -1.01 0.00 0.00 37.83 32.91 1s40 s LYS 127 CO 0.08 -0.71 0.26 0.14 0.51 0.00 0.00 175.35 175.63 1s40 s VAL 128 N 1.56 5.30 0.23 3.17 -7.23 0.24 -3.08 120.40 120.59 1s40 s VAL 128 Ca 0.02 0.49 0.03 0.00 -1.81 0.00 0.00 61.98 60.72 1s40 s VAL 128 Cb -0.19 -3.57 -0.05 0.00 0.56 0.00 0.00 36.38 33.12 1s40 s VAL 128 CO 0.07 0.51 0.01 -1.59 -0.31 0.00 0.00 175.10 173.79 1s40 s LYS 129 N -0.38 1.35 -0.17 4.82 -2.85 -1.14 -1.85 119.74 119.52 1s40 s LYS 129 Ca 0.17 -1.69 -0.17 0.00 -1.00 0.00 0.00 55.97 53.29 1s40 s LYS 129 Cb -0.13 -0.56 -0.04 0.00 -2.06 0.00 0.00 37.83 35.03 1s40 s LYS 129 CO 0.06 -0.13 0.42 -1.64 0.10 0.00 0.00 175.35 174.16 1s40 s MET 130 N -3.89 4.25 -1.15 1.78 -1.94 -1.26 -1.09 119.30 115.99 1s40 s MET 130 Ca 0.30 0.29 -0.06 0.00 -1.71 0.00 0.00 55.69 54.51 1s40 s MET 130 Cb 0.06 -3.49 0.26 0.00 2.01 0.00 0.00 34.83 33.67 1s40 s MET 130 CO 0.09 0.06 1.63 0.98 -0.01 0.00 0.00 175.02 177.77 1s40 n TYR 131 N 4.09 2.51 -1.01 -0.03 4.19 -0.82 -4.54 117.16 121.56 1s40 n TYR 131 Ca -0.08 -2.66 -0.00 0.00 3.31 0.00 0.00 57.90 58.47 1s40 n TYR 131 Cb 0.51 -1.51 -0.00 0.00 0.49 0.00 0.00 39.34 38.83 1s40 n TYR 131 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 1s40 n ASN 132 N 2.26 -4.96 0.00 2.98 5.15 -1.26 -2.78 115.26 116.64 1s40 n ASN 132 Ca 0.31 0.01 0.00 0.00 -0.60 0.00 0.00 54.58 54.30 1s40 n ASN 132 Cb 0.34 -2.48 0.00 0.00 -0.53 0.00 0.00 39.78 37.11 1s40 n ASN 132 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1s40 n GLY 133 N -0.40 0.16 0.00 8.20 0.00 -1.26 -5.14 105.19 106.76 1s40 n GLY 133 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s40 n GLY 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s40 n LYS 134 N 0.00 3.38 -3.74 1.61 5.02 -1.12 -4.81 118.16 118.50 1s40 n LYS 134 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 1s40 n LYS 134 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.84 1s40 n LYS 134 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1s40 s LEU 135 N 0.00 0.76 -0.55 -0.35 1.98 -1.26 -1.94 118.68 117.33 1s40 s LEU 135 Ca 0.00 -0.39 -0.23 0.00 -2.89 0.00 0.00 54.13 50.62 1s40 s LEU 135 Cb 0.00 -0.47 0.05 0.00 0.66 0.00 0.00 46.19 46.43 1s40 s LEU 135 CO 0.00 -0.25 0.88 0.21 -1.89 0.00 0.00 176.35 175.30 1s40 s ASN 136 N 1.95 6.31 -0.43 3.68 3.84 -0.25 -4.68 114.94 125.35 1s40 s ASN 136 Ca 0.03 -0.51 -0.18 0.00 0.21 0.00 0.00 52.86 52.41 1s40 s ASN 136 Cb -0.14 -2.41 0.02 0.00 -0.55 0.00 0.00 41.25 38.18 1s40 s ASN 136 CO -0.06 -1.18 0.50 0.00 -2.79 0.00 0.00 177.10 173.57 1s40 s ALA 137 N 3.70 3.40 0.44 1.71 0.00 -1.26 -2.88 121.76 126.87 1s40 s ALA 137 Ca 0.27 -1.45 0.07 0.00 0.00 0.00 0.00 51.96 50.85 1s40 s ALA 137 Cb -0.14 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 1s40 s ALA 137 CO 0.17 -1.66 0.39 0.96 0.00 0.00 0.00 175.76 175.62 1s40 s ILE 138 N 2.34 2.46 -0.06 0.00 -4.36 -1.18 -2.82 121.20 117.58 1s40 s ILE 138 Ca 0.15 -1.37 0.04 0.00 -0.26 0.00 0.00 60.65 59.21 1s40 s ILE 138 Cb -0.16 -2.82 0.00 0.00 1.25 0.00 0.00 42.46 40.72 1s40 s ILE 138 CO 0.15 0.00 -0.18 -0.69 0.24 0.00 0.00 174.94 174.46 1s40 s VAL 139 N -2.54 1.51 -0.13 8.37 1.01 0.11 -2.39 120.40 126.34 1s40 s VAL 139 Ca 0.46 -0.74 0.19 0.00 0.00 0.00 0.00 61.98 61.89 1s40 s VAL 139 Cb -0.03 -1.31 -0.25 0.00 0.00 0.00 0.00 36.38 34.79 1s40 s VAL 139 CO 0.27 0.43 0.33 -1.14 0.00 0.00 0.00 175.10 175.00 1s40 n ARG 140 N 3.33 0.67 -1.73 2.72 3.00 0.51 -4.67 116.66 120.49 1s40 n ARG 140 Ca -0.19 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.65 1s40 n ARG 140 Cb 0.53 -1.58 0.00 0.00 0.00 0.00 0.00 32.46 31.41 1s40 n ARG 140 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1s40 n GLU 141 N -2.65 1.00 0.00 -0.14 1.02 -1.24 -4.92 120.64 113.71 1s40 n GLU 141 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1s40 n GLU 141 Cb 0.94 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.36 1s40 n GLU 141 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s40 s GLU 143 N 0.00 2.46 0.44 0.00 0.41 -1.01 -4.64 118.70 116.35 1s40 s GLU 143 Ca 0.00 -0.67 -0.24 0.00 -0.41 0.00 0.00 54.97 53.65 1s40 s GLU 143 Cb 0.00 -1.95 -0.08 0.00 -1.78 0.00 0.00 34.13 30.33 1s40 s GLU 143 CO 0.00 0.07 1.25 -1.25 -0.49 0.00 0.00 175.26 174.84 1s40 s PRO 144 N 0.61 3.80 -0.41 0.39 0.04 -1.26 -1.74 135.00 136.43 1s40 s PRO 144 Ca -0.14 2.01 0.04 0.00 0.04 0.00 0.00 61.00 62.95 1s40 s PRO 144 Cb -0.16 -2.58 0.17 0.00 0.04 0.00 0.00 34.50 31.97 1s40 s PRO 144 CO 0.04 -0.58 0.35 0.28 0.04 0.00 0.00 177.00 177.13 1s40 n VAL 145 N -0.22 -1.20 0.03 -0.36 0.31 0.42 -4.85 118.33 112.46 1s40 n VAL 145 Ca 0.06 -3.45 -0.01 0.00 -0.01 0.00 0.00 64.34 60.92 1s40 n VAL 145 Cb 0.45 -1.67 -0.01 0.00 -0.91 0.00 0.00 33.84 31.71 1s40 n VAL 145 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1s40 h PRO 146 N 5.54 -0.08 0.00 5.55 0.13 -1.94 -3.39 132.00 137.80 1s40 h PRO 146 Ca 0.26 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 1s40 h PRO 146 Cb 0.91 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1s40 h PRO 146 CO 0.38 -0.05 0.00 1.58 -0.23 0.00 0.00 178.00 179.67 1s40 n HIS 147 N -2.54 0.00 0.27 1.56 -0.00 -1.26 -4.87 115.22 108.38 1s40 n HIS 147 Ca -0.01 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 57.86 1s40 n HIS 147 Cb 0.03 0.00 0.70 0.00 -0.00 0.00 0.00 29.99 30.72 1s40 n HIS 147 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1s40 h SER 148 N 0.00 0.00 0.00 0.26 0.87 -2.01 -3.20 113.55 109.47 1s40 h SER 148 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1s40 h SER 148 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1s40 h SER 148 CO 0.00 0.09 -0.08 0.00 -0.53 0.00 0.00 176.83 176.31 1s40 n GLN 149 N -3.32 0.84 -0.31 2.24 10.64 -1.26 -4.82 117.38 121.38 1s40 n GLN 149 Ca -0.01 -0.99 0.12 0.00 -1.83 0.00 0.00 57.00 54.29 1s40 n GLN 149 Cb 0.29 -0.70 0.29 0.00 -0.86 0.00 0.00 30.24 29.26 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 2.68 0.56 -0.06 -0.39 6.09 -1.89 1.52 117.51 126.02 1s40 h ILE 150 Ca 0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 1s40 h ILE 150 Cb 0.94 0.03 0.00 0.00 0.47 0.00 0.00 36.82 38.27 1s40 h ILE 150 CO 0.00 0.09 0.00 -0.24 -3.07 0.00 0.00 178.15 174.93 1s40 n SER 151 N -4.98 0.34 -0.10 2.19 2.88 -1.26 -1.80 113.62 110.88 1s40 n SER 151 Ca 0.21 -1.95 0.02 0.00 -1.33 0.00 0.00 58.87 55.82 1s40 n SER 151 Cb 0.59 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 -0.34 0.93 0.00 -3.46 2.88 0.51 -4.72 113.62 109.42 1s40 n SER 152 Ca 0.03 -0.96 0.00 0.00 -1.33 0.00 0.00 58.87 56.61 1s40 n SER 152 Cb 0.06 0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 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 -0.23 0.00 -3.74 2.46 5.41 -0.69 -5.05 119.36 117.53 1s40 n ILE 153 Ca 0.02 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.41 1s40 n ILE 153 Cb 0.08 -0.45 -0.05 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 -1.78 3.83 1.19 -1.39 0.00 -0.75 -5.09 121.76 117.77 1s40 s ALA 154 Ca 0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 51.96 51.30 1s40 s ALA 154 Cb 0.00 -2.10 0.19 0.00 0.00 0.00 0.00 23.12 21.21 1s40 s ALA 154 CO 0.00 0.62 0.59 0.43 0.00 0.00 0.00 175.76 177.40 1s40 n SER 155 N 1.32 -2.19 -4.56 0.00 7.64 -1.26 -4.70 113.62 109.88 1s40 n SER 155 Ca -0.13 -0.76 -0.29 0.00 1.01 0.00 0.00 58.87 58.71 1s40 n SER 155 Cb 0.53 -0.58 0.18 0.00 -1.01 0.00 0.00 64.21 63.33 1s40 n SER 155 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1s40 s PRO 156 N -4.36 0.22 0.00 1.43 0.04 -1.26 -3.26 135.00 127.80 1s40 s PRO 156 Ca 0.40 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1s40 s PRO 156 Cb -0.05 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1s40 s PRO 156 CO 0.32 -2.84 0.00 -1.13 0.04 0.00 0.00 177.00 173.39 1s40 n SER 157 N -4.22 0.00 0.22 6.66 3.41 -1.26 -4.17 113.62 114.25 1s40 n SER 157 Ca 0.06 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.84 1s40 n SER 157 Cb 0.58 0.00 0.84 0.00 -0.26 0.00 0.00 64.21 65.37 1s40 n SER 157 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1s40 h GLN 158 N 0.00 0.00 -0.28 4.33 4.20 -1.94 -0.75 115.11 120.67 1s40 h GLN 158 Ca 0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 1s40 h GLN 158 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1s40 h GLN 158 CO 0.00 0.00 -0.44 0.00 -0.67 0.00 0.00 178.83 177.72 1s40 h GLU 160 N 0.56 0.24 -0.61 0.00 4.11 -1.48 -1.07 114.58 116.33 1s40 h GLU 160 Ca 0.04 -0.08 0.16 0.00 0.07 0.00 0.00 59.36 59.55 1s40 h GLU 160 Cb 0.98 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1s40 h GLU 160 CO 0.09 0.47 0.43 1.25 0.07 0.00 0.00 179.01 181.33 1s40 h HIS 161 N -0.02 0.11 0.01 2.06 2.76 -1.49 0.26 115.15 118.83 1s40 h HIS 161 Ca 0.04 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 58.00 1s40 h HIS 161 Cb 0.36 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.29 1s40 h HIS 161 CO 0.03 0.04 -0.93 -0.07 -1.30 0.00 0.00 177.93 175.70 1s40 h LEU 162 N 0.09 0.41 0.16 0.26 3.38 -1.10 -2.86 115.31 115.66 1s40 h LEU 162 Ca 0.29 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1s40 h LEU 162 Cb 1.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1s40 h LEU 162 CO -0.03 1.14 -0.18 0.03 0.09 0.00 0.00 178.44 179.50 1s40 h ARG 163 N 0.17 -0.36 -0.23 1.13 3.08 0.79 -1.26 114.38 117.70 1s40 h ARG 163 Ca -0.07 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1s40 h ARG 163 Cb 1.57 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.69 1s40 h ARG 163 CO 0.15 -0.24 0.13 -0.07 -1.07 0.00 0.00 179.97 178.87 1s40 h LEU 164 N -0.38 0.27 -0.45 3.04 4.07 -1.52 -2.40 115.31 117.95 1s40 h LEU 164 Ca 0.01 -0.01 0.09 0.00 0.08 0.00 0.00 57.88 58.05 1s40 h LEU 164 Cb 0.36 -0.07 -0.08 0.00 1.08 0.00 0.00 40.66 41.96 1s40 h LEU 164 CO -0.06 0.22 -0.06 0.15 -1.08 0.00 0.00 178.44 177.61 1s40 h PHE 165 N 0.32 -0.14 -0.02 1.13 3.57 -0.99 0.11 116.94 120.92 1s40 h PHE 165 Ca 0.08 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 1s40 h PHE 165 Cb 0.00 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 1s40 h PHE 165 CO 0.00 -0.15 0.01 1.88 -2.23 0.00 0.00 178.31 177.82 1s40 h TYR 166 N 0.05 0.02 -0.73 0.41 0.05 -1.19 0.72 116.97 116.30 1s40 h TYR 166 Ca 0.22 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 59.05 1s40 h TYR 166 Cb 0.34 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 38.02 1s40 h TYR 166 CO -0.35 0.12 0.44 1.96 -1.05 0.00 0.00 178.16 179.28 1s40 h GLN 167 N -0.08 0.80 -0.18 4.88 1.08 -1.29 -0.39 115.11 119.92 1s40 h GLN 167 Ca 0.01 -0.05 -0.15 0.00 -1.45 0.00 0.00 58.65 57.01 1s40 h GLN 167 Cb 0.11 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1s40 h GLN 167 CO -0.00 0.53 -0.47 0.00 -0.95 0.00 0.00 178.83 177.94 1s40 h ARG 168 N 0.83 0.65 -0.43 1.46 -0.00 -0.65 -3.19 114.38 113.05 1s40 h ARG 168 Ca 0.31 -0.45 -0.05 0.00 -0.50 0.00 0.00 59.98 59.30 1s40 h ARG 168 Cb 0.11 0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.13 1s40 h ARG 168 CO -0.15 1.07 0.08 0.00 0.00 0.00 0.00 179.97 180.96 1s40 h ALA 169 N 0.58 1.33 0.00 0.04 0.00 -0.54 0.79 119.26 121.46 1s40 h ALA 169 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1s40 h ALA 169 Cb 1.09 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1s40 h ALA 169 CO 0.10 0.47 0.00 0.74 0.00 0.00 0.00 179.25 180.56 1s40 h PHE 170 N 0.63 0.00 0.00 0.00 -1.00 -1.06 -0.78 116.94 114.73 1s40 h PHE 170 Ca 0.14 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.81 1s40 h PHE 170 Cb 0.28 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 1s40 h PHE 170 CO 0.01 0.00 -1.41 1.63 -1.61 0.00 0.00 178.31 176.93 1s40 n LYS 171 N -2.85 0.68 0.06 1.51 4.76 -0.63 -4.67 118.16 117.03 1s40 n LYS 171 Ca -0.02 0.03 -0.08 0.00 -2.87 0.00 0.00 58.31 55.38 1s40 n LYS 171 Cb 0.12 -1.15 0.06 0.00 -1.84 0.00 0.00 35.03 32.22 1s40 n LYS 171 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1s40 h ARG 172 N 0.00 0.33 0.00 1.97 3.08 0.59 -2.97 114.38 117.38 1s40 h ARG 172 Ca -0.16 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1s40 h ARG 172 Cb 1.27 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1s40 h ARG 172 CO -0.02 0.89 0.22 0.82 -1.07 0.00 0.00 179.97 180.82 1s40 h ILE 173 N 0.23 0.00 0.00 2.04 2.04 -1.31 -3.45 117.51 117.05 1s40 h ILE 173 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1s40 h ILE 173 Cb 1.24 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1s40 h ILE 173 CO 0.11 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.87 1s40 n GLY 174 N -1.19 1.30 0.33 5.37 0.00 -1.12 -4.66 105.19 105.22 1s40 n GLY 174 Ca -0.02 -0.81 0.18 0.00 0.00 0.00 0.00 46.02 45.37 1s40 n GLY 174 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s40 h GLU 175 N 0.00 0.38 0.20 1.61 5.08 -1.83 0.31 114.58 120.33 1s40 h GLU 175 Ca 0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1s40 h GLU 175 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1s40 h GLU 175 CO 0.00 0.25 -0.10 1.03 -1.00 0.00 0.00 179.01 179.19 1s40 h SER 176 N 0.39 -0.23 -0.59 1.42 0.87 -1.96 -2.49 113.55 110.96 1s40 h SER 176 Ca 0.64 -0.10 0.11 0.00 -1.23 0.00 0.00 61.79 61.21 1s40 h SER 176 Cb 1.31 0.06 -0.09 0.00 -0.44 0.00 0.00 62.40 63.24 1s40 h SER 176 CO -0.56 -0.04 0.09 0.00 -0.53 0.00 0.00 176.83 175.78 1s40 h ALA 177 N 0.36 0.67 -0.19 6.23 0.00 -1.24 0.41 119.26 125.48 1s40 h ALA 177 Ca -0.03 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1s40 h ALA 177 Cb 0.32 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1s40 h ALA 177 CO 0.05 -0.33 0.15 0.82 0.00 0.00 0.00 179.25 179.93 1s40 h ILE 178 N 0.21 0.82 0.00 0.00 2.04 -1.11 0.22 117.51 119.69 1s40 h ILE 178 Ca 0.31 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.14 1s40 h ILE 178 Cb 0.47 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1s40 h ILE 178 CO -0.43 0.00 -0.15 0.28 0.00 0.00 0.00 178.15 177.85 1s40 h SER 179 N 0.00 0.00 0.28 1.72 0.02 0.26 0.48 113.55 116.31 1s40 h SER 179 Ca 0.09 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.81 1s40 h SER 179 Cb 0.38 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.93 1s40 h SER 179 CO -0.00 0.15 -0.96 0.03 -1.14 0.00 0.00 176.83 174.91 1s40 h ARG 180 N 0.00 0.46 -0.60 3.45 2.47 -0.09 -3.33 114.38 116.73 1s40 h ARG 180 Ca -0.00 -0.49 -0.40 0.00 -1.26 0.00 0.00 59.98 57.82 1s40 h ARG 180 Cb 0.74 0.14 -0.42 0.00 -1.65 0.00 0.00 29.97 28.79 1s40 h ARG 180 CO 0.02 1.14 -0.96 0.66 0.56 0.00 0.00 179.97 181.39 1s40 n TYR 181 N -3.76 2.04 -0.15 3.04 4.02 -1.13 -4.90 117.16 116.32 1s40 n TYR 181 Ca -0.07 -2.19 -0.04 0.00 -0.01 0.00 0.00 57.90 55.59 1s40 n TYR 181 Cb 0.84 -0.29 0.03 0.00 -0.02 0.00 0.00 39.34 39.90 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 2.39 -0.44 -0.35 -0.72 -0.00 -0.15 0.20 116.94 117.87 1s40 h PHE 182 Ca 0.13 0.05 -0.11 0.00 -0.00 0.00 0.00 57.97 58.04 1s40 h PHE 182 Cb 1.41 0.27 -0.01 0.00 -0.00 0.00 0.00 35.95 37.61 1s40 h PHE 182 CO 0.68 -0.27 -0.24 1.05 -0.00 0.00 0.00 178.31 179.53 1s40 h GLU 183 N -0.07 0.69 0.00 6.09 4.11 -1.90 -2.20 114.58 121.29 1s40 h GLU 183 Ca 0.23 -0.28 -0.08 0.00 0.07 0.00 0.00 59.36 59.30 1s40 h GLU 183 Cb 0.43 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1s40 h GLU 183 CO -0.54 0.86 -0.39 0.93 0.07 0.00 0.00 179.01 179.94 1s40 h GLU 184 N 0.60 0.00 0.00 1.06 5.08 -1.60 -3.12 114.58 116.59 1s40 h GLU 184 Ca 0.08 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.26 1s40 h GLU 184 Cb 0.73 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1s40 h GLU 184 CO 0.06 0.39 -1.10 -0.92 -1.00 0.00 0.00 179.01 176.44 1s40 h TYR 185 N 0.00 0.00 0.00 4.33 5.03 -0.42 -3.29 116.97 122.61 1s40 h TYR 185 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1s40 h TYR 185 Cb 0.91 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.19 1s40 h TYR 185 CO 0.00 0.77 0.00 2.89 -1.32 0.00 0.00 178.16 180.50 1s40 n ARG 186 N -3.15 0.18 0.00 1.82 1.85 -0.85 -4.86 116.66 111.65 1s40 n ARG 186 Ca -0.05 0.09 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 1s40 n ARG 186 Cb 0.88 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.79 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 -1.38 0.00 -4.27 2.89 3.00 -1.23 -4.33 116.66 111.33 1s40 n ARG 187 Ca 0.09 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.65 1s40 n ARG 187 Cb 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.63 1s40 n ARG 187 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1s40 s PHE 188 N 0.00 2.02 0.33 -0.14 0.08 -1.26 -5.02 117.98 113.99 1s40 s PHE 188 Ca 0.00 -0.80 0.00 0.00 0.12 0.00 0.00 56.93 56.25 1s40 s PHE 188 Cb 0.00 -1.82 0.00 0.00 -0.57 0.00 0.00 43.02 40.63 1s40 s PHE 188 CO 0.00 -0.02 0.00 0.34 -0.10 0.00 0.00 175.22 175.44 1s40 n PHE 189 N -1.42 -3.35 -1.82 0.36 7.35 -1.26 -4.85 117.46 112.47 1s40 n PHE 189 Ca -0.07 1.68 -0.28 0.00 -0.76 0.00 0.00 57.45 58.01 1s40 n PHE 189 Cb 0.65 -3.04 0.20 0.00 0.35 0.00 0.00 39.48 37.64 1s40 n PHE 189 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1s40 n PRO 190 N -3.96 -1.37 0.00 -7.13 -0.04 -1.26 -4.96 135.00 116.27 1s40 n PRO 190 Ca 0.00 -1.95 0.13 0.00 -0.04 0.00 0.00 63.50 61.65 1s40 n PRO 190 Cb 0.66 -1.33 0.39 0.00 -0.04 0.00 0.00 33.50 33.17 1s40 n PRO 190 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57