#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8e s ILE 2 N 0.00 3.53 0.52 1.96 -4.36 -1.26 -5.02 121.20 116.58 1b8e s ILE 2 Ca 0.00 -1.40 0.25 0.00 -0.26 0.00 0.00 60.65 59.25 1b8e s ILE 2 Cb 0.00 -3.18 0.31 0.00 1.25 0.00 0.00 42.46 40.84 1b8e s ILE 2 CO 0.00 -0.18 2.17 -0.37 0.24 0.00 0.00 174.94 176.79 1b8e h VAL 3 N 1.28 0.68 0.00 8.37 -1.51 -2.02 -1.84 116.25 121.21 1b8e h VAL 3 Ca -0.45 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1b8e h VAL 3 Cb 1.25 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 1b8e h VAL 3 CO 0.59 0.05 0.00 0.35 -1.23 0.00 0.00 177.57 177.33 1b8e n THR 4 N -3.96 0.31 1.02 7.19 -2.24 -1.26 -3.38 114.28 111.96 1b8e n THR 4 Ca -0.03 0.08 0.11 0.00 -2.27 0.00 0.00 64.05 61.94 1b8e n THR 4 Cb 0.14 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 1b8e n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b8e n GLN 5 N -1.34 0.90 -2.85 -0.78 6.02 -0.69 -4.95 117.38 113.69 1b8e n GLN 5 Ca 0.10 -0.74 -0.19 0.00 -0.01 0.00 0.00 57.00 56.16 1b8e n GLN 5 Cb 0.21 -1.48 0.03 0.00 1.02 0.00 0.00 30.24 30.01 1b8e n GLN 5 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1b8e s THR 6 N -2.60 2.76 0.14 5.09 -4.23 -1.22 -4.69 115.64 110.90 1b8e s THR 6 Ca 0.16 -0.85 -0.30 0.00 -1.18 0.00 0.00 61.69 59.52 1b8e s THR 6 Cb 0.18 -2.91 -0.07 0.00 1.34 0.00 0.00 72.50 71.04 1b8e s THR 6 CO 0.64 0.00 1.10 -0.32 -0.54 0.00 0.00 174.62 175.50 1b8e s MET 7 N -4.57 4.57 0.10 3.99 1.75 -0.23 -4.96 119.30 119.94 1b8e s MET 7 Ca 0.57 1.69 -0.15 0.00 -1.25 0.00 0.00 55.69 56.55 1b8e s MET 7 Cb -0.10 -3.31 -0.07 0.00 2.84 0.00 0.00 34.83 34.20 1b8e s MET 7 CO 0.36 0.01 0.52 0.21 -0.65 0.00 0.00 175.02 175.47 1b8e s LYS 8 N 0.01 4.01 -1.42 4.11 2.20 -1.26 -4.19 119.74 123.20 1b8e s LYS 8 Ca 0.51 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 1b8e s LYS 8 Cb -0.29 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1b8e s LYS 8 CO 0.33 0.57 0.00 0.41 -0.36 0.00 0.00 175.35 176.30 1b8e n GLY 9 N 1.23 1.35 3.75 5.54 0.00 -1.26 -4.96 105.19 110.85 1b8e n GLY 9 Ca -0.08 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1b8e n GLY 9 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1b8e n LEU 10 N -1.55 4.49 -4.18 0.99 7.94 -1.26 -4.95 117.00 118.48 1b8e n LEU 10 Ca -0.14 1.17 -0.40 0.00 -1.11 0.00 0.00 56.01 55.54 1b8e n LEU 10 Cb 0.45 -1.60 -0.09 0.00 0.53 0.00 0.00 43.42 42.71 1b8e n LEU 10 CO 0.20 0.16 0.02 -0.62 -1.11 0.00 0.00 177.39 176.04 1b8e s ASP 11 N 0.31 5.63 0.47 1.96 -1.08 -1.26 -4.95 116.67 117.76 1b8e s ASP 11 Ca 0.61 -2.26 0.16 0.00 -0.52 0.00 0.00 52.55 50.54 1b8e s ASP 11 Cb -0.49 -1.96 1.15 0.00 -1.46 0.00 0.00 42.92 40.15 1b8e s ASP 11 CO 0.53 -0.58 2.04 -0.29 0.52 0.00 0.00 175.17 177.40 1b8e h ILE 12 N 5.81 0.92 0.00 4.11 -0.00 -1.97 -1.89 117.51 124.49 1b8e h ILE 12 Ca -0.11 -0.08 -0.01 0.00 -0.00 0.00 0.00 64.86 64.66 1b8e h ILE 12 Cb 1.03 0.67 -0.00 0.00 -0.00 0.00 0.00 36.82 38.52 1b8e h ILE 12 CO 0.79 0.04 -0.04 1.56 -0.00 0.00 0.00 178.15 180.50 1b8e h GLN 13 N 0.23 0.00 0.00 2.19 1.08 -1.94 -2.10 115.11 114.57 1b8e h GLN 13 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1b8e h GLN 13 Cb 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1b8e h GLN 13 CO -0.03 0.04 0.00 1.63 -0.95 0.00 0.00 178.83 179.52 1b8e n LYS 14 N -3.83 0.01 0.00 1.46 5.02 -0.71 -3.14 118.16 116.96 1b8e n LYS 14 Ca -0.03 0.07 0.14 0.00 -2.02 0.00 0.00 58.31 56.47 1b8e n LYS 14 Cb 0.13 -1.51 0.60 0.00 -0.02 0.00 0.00 35.03 34.23 1b8e n LYS 14 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1b8e n VAL 15 N -1.52 0.00 -1.69 -0.18 0.24 -0.79 -4.86 118.33 109.54 1b8e n VAL 15 Ca 0.06 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.34 61.78 1b8e n VAL 15 Cb 0.30 0.21 -0.00 0.00 -1.47 0.00 0.00 33.84 32.88 1b8e n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b8e n ALA 16 N -0.31 1.12 0.00 2.33 0.00 -1.19 -4.61 120.51 117.85 1b8e n ALA 16 Ca 0.18 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1b8e n ALA 16 Cb 0.30 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.52 1b8e n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b8e n GLY 17 N 0.83 0.54 3.82 0.00 0.00 -0.31 -4.92 105.19 105.15 1b8e n GLY 17 Ca 0.06 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.53 1b8e n GLY 17 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1b8e s THR 18 N -0.61 4.52 0.12 2.61 -1.32 -1.26 -1.34 115.64 118.36 1b8e s THR 18 Ca 0.00 1.29 -0.03 0.00 -1.21 0.00 0.00 61.69 61.73 1b8e s THR 18 Cb 0.00 -3.75 -0.03 0.00 -1.51 0.00 0.00 72.50 67.21 1b8e s THR 18 CO 0.00 -0.03 0.10 0.26 -2.21 0.00 0.00 174.62 172.74 1b8e s TRP 19 N -1.81 0.64 -0.03 9.09 0.52 -0.96 -4.71 118.94 121.68 1b8e s TRP 19 Ca 0.51 -1.05 0.04 0.00 0.02 0.00 0.00 56.10 55.62 1b8e s TRP 19 Cb -0.13 -0.34 -0.01 0.00 -1.15 0.00 0.00 33.47 31.84 1b8e s TRP 19 CO 0.19 -0.54 -0.15 0.71 0.02 0.00 0.00 176.95 177.18 1b8e s TYR 20 N -3.99 1.41 -0.49 -1.98 2.02 -0.06 -4.18 117.35 110.08 1b8e s TYR 20 Ca 0.18 -0.34 -0.29 0.00 -0.37 0.00 0.00 57.07 56.26 1b8e s TYR 20 Cb 0.06 -0.94 0.03 0.00 -0.40 0.00 0.00 41.96 40.71 1b8e s TYR 20 CO -0.02 -0.09 1.21 -1.12 -1.57 0.00 0.00 175.55 173.96 1b8e s SER 21 N -0.11 6.53 -0.07 2.29 0.01 -1.25 -1.19 113.70 119.90 1b8e s SER 21 Ca 0.01 0.46 0.15 0.00 1.31 0.00 0.00 55.95 57.87 1b8e s SER 21 Cb -0.08 -2.55 -0.22 0.00 0.21 0.00 0.00 66.02 63.37 1b8e s SER 21 CO 0.01 -1.35 0.53 -0.11 0.41 0.00 0.00 173.24 172.72 1b8e n LEU 22 N 8.20 0.61 -3.55 2.44 7.94 0.02 -4.83 117.00 127.84 1b8e n LEU 22 Ca 0.12 0.29 -0.16 0.00 -1.11 0.00 0.00 56.01 55.15 1b8e n LEU 22 Cb 0.49 0.24 -0.06 0.00 0.53 0.00 0.00 43.42 44.62 1b8e n LEU 22 CO 0.72 0.37 0.34 0.00 -1.11 0.00 0.00 177.39 177.71 1b8e s ALA 23 N -2.65 -1.52 0.05 1.96 0.00 -1.19 -0.71 121.76 117.70 1b8e s ALA 23 Ca -0.06 0.90 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 1b8e s ALA 23 Cb 0.08 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 1b8e s ALA 23 CO 0.83 -0.45 -0.03 -1.64 0.00 0.00 0.00 175.76 174.47 1b8e s MET 24 N -1.89 0.58 0.05 0.00 -1.94 0.11 -1.03 119.30 115.17 1b8e s MET 24 Ca -0.08 -1.15 -0.22 0.00 -1.71 0.00 0.00 55.69 52.53 1b8e s MET 24 Cb -0.01 0.20 0.05 0.00 2.01 0.00 0.00 34.83 37.08 1b8e s MET 24 CO 0.03 -0.10 0.51 0.00 -0.01 0.00 0.00 175.02 175.44 1b8e s ALA 25 N -3.65 -1.29 0.05 3.03 0.00 -0.65 -0.27 121.76 118.97 1b8e s ALA 25 Ca 0.05 0.56 -0.10 0.00 0.00 0.00 0.00 51.96 52.47 1b8e s ALA 25 Cb 0.06 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.56 1b8e s ALA 25 CO -0.09 -0.50 0.20 0.00 0.00 0.00 0.00 175.76 175.37 1b8e s ALA 26 N -2.45 -0.36 -0.09 0.00 0.00 -0.48 0.12 121.76 118.50 1b8e s ALA 26 Ca -0.05 -0.32 0.30 0.00 0.00 0.00 0.00 51.96 51.89 1b8e s ALA 26 Cb -0.01 0.32 1.07 0.00 0.00 0.00 0.00 23.12 24.50 1b8e s ALA 26 CO -0.02 -0.39 1.87 0.66 0.00 0.00 0.00 175.76 177.88 1b8e h SER 27 N 3.33 0.00 -3.39 0.00 4.64 -1.39 0.48 113.55 117.22 1b8e h SER 27 Ca -0.32 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.51 1b8e h SER 27 Cb 1.19 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.94 1b8e h SER 27 CO 0.49 0.00 -0.80 -0.62 -0.87 0.00 0.00 176.83 175.03 1b8e s ASP 28 N -5.73 1.61 0.21 4.97 2.15 -1.26 -3.94 116.67 114.68 1b8e s ASP 28 Ca 0.03 -0.25 -0.12 0.00 0.43 0.00 0.00 52.55 52.64 1b8e s ASP 28 Cb 0.08 -0.72 0.27 0.00 -0.30 0.00 0.00 42.92 42.25 1b8e s ASP 28 CO 0.57 -0.02 1.64 0.40 -0.17 0.00 0.00 175.17 177.59 1b8e h ILE 29 N 6.06 0.41 0.00 4.11 1.08 -1.84 0.33 117.51 127.65 1b8e h ILE 29 Ca -0.32 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1b8e h ILE 29 Cb 1.17 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 1b8e h ILE 29 CO 0.46 0.01 0.00 0.77 -0.69 0.00 0.00 178.15 178.69 1b8e h SER 30 N 0.04 0.00 -0.03 1.72 4.64 -1.98 -1.96 113.55 115.97 1b8e h SER 30 Ca 0.32 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.56 1b8e h SER 30 Cb 0.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1b8e h SER 30 CO -0.61 0.00 -0.19 -0.07 -0.87 0.00 0.00 176.83 175.09 1b8e h LEU 31 N 0.00 0.38 -2.10 5.97 3.38 -1.34 -3.35 115.31 118.25 1b8e h LEU 31 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1b8e h LEU 31 Cb 0.04 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1b8e h LEU 31 CO 0.00 0.59 0.00 0.18 0.09 0.00 0.00 178.44 179.30 1b8e n LEU 32 N -4.18 1.35 0.00 1.67 4.77 -0.91 -3.73 117.00 115.97 1b8e n LEU 32 Ca -0.00 -1.35 0.00 0.00 -0.03 0.00 0.00 56.01 54.62 1b8e n LEU 32 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1b8e n LEU 32 CO 0.40 0.34 0.21 -0.67 -1.33 0.00 0.00 177.39 176.34 1b8e n ASP 33 N -0.29 0.00 -4.99 -1.43 2.03 -0.79 -4.77 116.55 106.32 1b8e n ASP 33 Ca 0.00 0.41 -0.19 0.00 0.52 0.00 0.00 54.79 55.53 1b8e n ASP 33 Cb 0.24 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.66 1b8e n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b8e s ALA 34 N -2.68 4.20 0.57 -1.67 0.00 -1.26 -4.99 121.76 115.94 1b8e s ALA 34 Ca 0.00 -1.46 0.35 0.00 0.00 0.00 0.00 51.96 50.85 1b8e s ALA 34 Cb 0.00 -1.83 1.40 0.00 0.00 0.00 0.00 23.12 22.69 1b8e s ALA 34 CO 0.00 -0.38 1.66 1.96 0.00 0.00 0.00 175.76 179.00 1b8e h GLN 35 N 0.50 0.00 -0.01 0.00 4.20 -1.95 -0.39 115.11 117.46 1b8e h GLN 35 Ca -0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.29 1b8e h GLN 35 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1b8e h GLN 35 CO 0.50 0.00 -0.21 -1.13 -0.67 0.00 0.00 178.83 177.32 1b8e n SER 36 N -3.77 1.45 -4.64 1.46 3.41 -1.26 -4.18 113.62 106.07 1b8e n SER 36 Ca 0.24 -1.22 -0.44 0.00 -0.26 0.00 0.00 58.87 57.19 1b8e n SER 36 Cb 1.32 0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 65.39 1b8e n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b8e n ALA 37 N -0.20 0.51 0.26 7.33 0.00 -0.16 -4.85 120.51 123.41 1b8e n ALA 37 Ca 0.14 0.39 0.09 0.00 0.00 0.00 0.00 53.44 54.06 1b8e n ALA 37 Cb 0.39 -2.15 0.69 0.00 0.00 0.00 0.00 19.45 18.37 1b8e n ALA 37 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1b8e h PRO 38 N 2.77 0.00 -0.35 0.00 0.13 -1.91 -2.05 132.00 130.59 1b8e h PRO 38 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1b8e h PRO 38 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1b8e h PRO 38 CO 0.65 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.70 1b8e n LEU 39 N -4.42 3.09 -4.51 1.56 4.77 -1.24 -4.64 117.00 111.60 1b8e n LEU 39 Ca -0.03 -1.33 -0.44 0.00 -0.03 0.00 0.00 56.01 54.19 1b8e n LEU 39 Cb 0.10 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1b8e n LEU 39 CO 0.33 0.67 1.57 -0.60 -1.33 0.00 0.00 177.39 178.03 1b8e s ARG 40 N -1.55 4.01 0.10 3.23 6.06 -0.77 -4.93 118.95 125.10 1b8e s ARG 40 Ca 0.37 -2.29 0.08 0.00 -2.50 0.00 0.00 55.73 51.39 1b8e s ARG 40 Cb 0.22 -5.22 -0.03 0.00 0.06 0.00 0.00 34.95 29.97 1b8e s ARG 40 CO 0.30 -1.95 -0.22 0.14 -2.50 0.00 0.00 175.30 171.08 1b8e s VAL 41 N 2.64 1.78 -0.19 7.11 -7.23 -1.26 -4.65 120.40 118.59 1b8e s VAL 41 Ca 0.46 -1.52 -0.04 0.00 -1.81 0.00 0.00 61.98 59.07 1b8e s VAL 41 Cb -0.01 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.32 1b8e s VAL 41 CO 0.02 -0.00 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.47 1b8e s TYR 42 N -1.10 2.99 0.17 2.82 2.02 0.14 -4.91 117.35 119.48 1b8e s TYR 42 Ca 0.07 -0.58 -0.30 0.00 -0.37 0.00 0.00 57.07 55.89 1b8e s TYR 42 Cb -0.10 -2.05 -0.07 0.00 -0.40 0.00 0.00 41.96 39.34 1b8e s TYR 42 CO 0.04 -0.29 1.05 0.08 -1.57 0.00 0.00 175.55 174.86 1b8e s VAL 43 N 0.99 4.03 -0.10 0.71 1.01 -1.26 0.41 120.40 126.18 1b8e s VAL 43 Ca 0.01 1.77 0.01 0.00 0.00 0.00 0.00 61.98 63.77 1b8e s VAL 43 Cb -0.15 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.03 1b8e s VAL 43 CO 0.01 0.31 -0.09 1.21 0.00 0.00 0.00 175.10 176.55 1b8e n GLU 44 N 2.35 0.44 -3.60 2.72 2.13 -0.23 -3.89 120.64 120.56 1b8e n GLU 44 Ca 0.02 0.06 -0.16 0.00 0.66 0.00 0.00 57.16 57.74 1b8e n GLU 44 Cb 0.47 -1.21 -0.07 0.00 0.27 0.00 0.00 31.44 30.90 1b8e n GLU 44 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1b8e s GLU 45 N -2.21 0.89 -0.11 5.31 2.12 -1.11 -2.27 118.70 121.32 1b8e s GLU 45 Ca -0.14 0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.68 1b8e s GLU 45 Cb 0.04 0.43 -0.02 0.00 0.26 0.00 0.00 34.13 34.83 1b8e s GLU 45 CO 0.25 -0.21 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.13 1b8e s LEU 46 N -0.56 2.84 -0.36 2.70 1.43 -0.45 -1.75 118.68 122.53 1b8e s LEU 46 Ca -0.07 -0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1b8e s LEU 46 Cb -0.02 -1.63 0.12 0.00 0.03 0.00 0.00 46.19 44.69 1b8e s LEU 46 CO 0.06 0.23 0.17 -1.59 0.23 0.00 0.00 176.35 175.45 1b8e s LYS 47 N -0.01 0.77 0.61 1.70 0.00 0.29 -1.16 119.74 121.94 1b8e s LYS 47 Ca -0.03 -1.35 -0.19 0.00 0.00 0.00 0.00 55.97 54.41 1b8e s LYS 47 Cb -0.14 -1.79 -0.03 0.00 0.00 0.00 0.00 37.83 35.87 1b8e s LYS 47 CO 0.04 -1.10 1.25 -2.14 0.00 0.00 0.00 175.35 173.39 1b8e s PRO 48 N 1.16 2.85 0.28 1.78 0.02 -1.26 -1.43 135.00 138.40 1b8e s PRO 48 Ca 0.14 1.94 0.06 0.00 0.02 0.00 0.00 61.00 63.16 1b8e s PRO 48 Cb -0.21 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.36 1b8e s PRO 48 CO -0.12 -1.33 0.35 0.95 -0.33 0.00 0.00 177.00 176.52 1b8e s THR 49 N -1.50 4.57 0.53 0.99 -4.23 -0.18 -4.88 115.64 110.95 1b8e s THR 49 Ca 0.79 -1.11 0.19 0.00 -1.18 0.00 0.00 61.69 60.37 1b8e s THR 49 Cb -0.34 -3.57 0.30 0.00 1.34 0.00 0.00 72.50 70.24 1b8e s THR 49 CO 0.36 -0.27 2.15 -0.65 -0.54 0.00 0.00 174.62 175.67 1b8e h PRO 50 N 1.16 0.00 -0.00 3.99 0.11 -1.95 0.57 132.00 135.87 1b8e h PRO 50 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1b8e h PRO 50 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1b8e h PRO 50 CO 0.58 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.52 1b8e n GLU 51 N -4.41 1.02 -0.53 1.05 0.00 -1.26 -4.92 120.64 111.60 1b8e n GLU 51 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.12 1b8e n GLU 51 Cb 0.15 -1.41 0.00 0.00 0.00 0.00 0.00 31.44 30.19 1b8e n GLU 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1b8e n GLY 52 N 0.92 0.74 3.97 -1.84 0.00 0.19 -4.98 105.19 104.18 1b8e n GLY 52 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1b8e n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b8e s ASP 53 N -2.14 4.99 -0.15 1.61 1.01 -1.26 -4.24 116.67 116.49 1b8e s ASP 53 Ca 0.00 0.02 -0.01 0.00 0.71 0.00 0.00 52.55 53.28 1b8e s ASP 53 Cb 0.00 -0.76 0.04 0.00 1.01 0.00 0.00 42.92 43.21 1b8e s ASP 53 CO 0.00 -1.38 -0.03 -0.22 0.21 0.00 0.00 175.17 173.75 1b8e s LEU 54 N -4.94 1.39 -0.12 1.23 2.96 0.18 -1.01 118.68 118.36 1b8e s LEU 54 Ca 0.60 -0.59 -0.18 0.00 -0.22 0.00 0.00 54.13 53.74 1b8e s LEU 54 Cb -0.09 -0.79 -0.04 0.00 0.50 0.00 0.00 46.19 45.76 1b8e s LEU 54 CO 0.41 -0.20 0.45 -0.70 -1.32 0.00 0.00 176.35 174.99 1b8e s GLU 55 N 1.72 4.33 -0.21 1.98 2.12 -0.52 0.89 118.70 129.01 1b8e s GLU 55 Ca 0.01 0.40 -0.01 0.00 0.36 0.00 0.00 54.97 55.73 1b8e s GLU 55 Cb -0.15 -3.44 0.01 0.00 0.26 0.00 0.00 34.13 30.82 1b8e s GLU 55 CO -0.07 0.16 -0.11 0.42 -0.54 0.00 0.00 175.26 175.12 1b8e s ILE 56 N 0.61 2.75 -0.27 -3.70 1.01 0.58 -0.55 121.20 121.64 1b8e s ILE 56 Ca 0.25 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 1b8e s ILE 56 Cb -0.15 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.01 1b8e s ILE 56 CO 0.09 0.41 0.23 -0.76 0.00 0.00 0.00 174.94 174.92 1b8e s LEU 57 N 1.37 4.05 0.19 2.97 1.43 -0.72 -1.33 118.68 126.65 1b8e s LEU 57 Ca 0.04 0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.32 1b8e s LEU 57 Cb -0.14 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 1b8e s LEU 57 CO -0.07 -0.06 -0.13 -0.76 0.23 0.00 0.00 176.35 175.56 1b8e s LEU 58 N 1.66 2.55 -0.04 1.79 1.43 -0.00 -1.07 118.68 124.99 1b8e s LEU 58 Ca 0.09 -1.02 0.06 0.00 -1.03 0.00 0.00 54.13 52.23 1b8e s LEU 58 Cb -0.15 -0.60 -0.02 0.00 0.03 0.00 0.00 46.19 45.45 1b8e s LEU 58 CO 0.09 -0.21 -0.22 0.00 0.23 0.00 0.00 176.35 176.24 1b8e s GLN 59 N -3.67 2.39 0.04 1.70 -2.07 0.17 -0.99 119.66 117.22 1b8e s GLN 59 Ca 0.21 -0.85 0.02 0.00 -1.82 0.00 0.00 55.36 52.92 1b8e s GLN 59 Cb 0.00 -2.19 -0.03 0.00 -1.09 0.00 0.00 33.01 29.70 1b8e s GLN 59 CO 0.06 0.52 -0.07 0.21 -1.32 0.00 0.00 175.29 174.69 1b8e s LYS 60 N -0.49 0.53 -0.20 9.60 2.36 0.22 0.24 119.74 132.01 1b8e s LYS 60 Ca 0.06 -0.81 -0.19 0.00 -2.55 0.00 0.00 55.97 52.48 1b8e s LYS 60 Cb -0.11 -0.19 -0.03 0.00 -1.05 0.00 0.00 37.83 36.44 1b8e s LYS 60 CO 0.01 0.02 0.53 -0.46 1.55 0.00 0.00 175.35 177.00 1b8e s TRP 61 N -1.74 3.37 -0.07 4.03 -0.11 -1.26 0.73 118.94 123.90 1b8e s TRP 61 Ca -0.08 0.79 -0.03 0.00 1.22 0.00 0.00 56.10 58.01 1b8e s TRP 61 Cb -0.08 -2.68 0.04 0.00 -1.50 0.00 0.00 33.47 29.25 1b8e s TRP 61 CO -0.01 -0.11 0.06 -2.00 -4.62 0.00 0.00 176.95 170.28 1b8e s GLU 62 N 1.65 -0.01 -1.58 5.86 2.12 -0.95 -4.45 118.70 121.34 1b8e s GLU 62 Ca 0.25 0.27 -0.02 0.00 0.36 0.00 0.00 54.97 55.82 1b8e s GLU 62 Cb -0.15 -0.80 0.01 0.00 0.26 0.00 0.00 34.13 33.45 1b8e s GLU 62 CO 0.10 -0.39 0.27 0.09 -0.54 0.00 0.00 175.26 174.78 1b8e n ASN 63 N 5.28 -5.62 0.00 -1.70 3.02 -1.26 -2.16 115.26 112.83 1b8e n ASN 63 Ca -0.04 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1b8e n ASN 63 Cb 0.50 -4.62 0.00 0.00 -0.61 0.00 0.00 39.78 35.04 1b8e n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b8e n GLY 64 N -1.20 0.50 3.38 7.41 0.00 -1.26 -5.04 105.19 108.98 1b8e n GLY 64 Ca -0.17 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 1b8e n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b8e s GLU 65 N -1.85 1.59 -0.47 1.61 0.41 -0.92 -5.11 118.70 113.96 1b8e s GLU 65 Ca 0.00 -1.90 -0.03 0.00 -0.41 0.00 0.00 54.97 52.63 1b8e s GLU 65 Cb 0.00 -0.41 0.12 0.00 -1.78 0.00 0.00 34.13 32.07 1b8e s GLU 65 CO 0.00 -0.34 0.28 0.00 -0.49 0.00 0.00 175.26 174.71 1b8e s ALA 67 N 0.86 3.63 -0.10 0.00 0.00 0.22 -4.88 121.76 121.50 1b8e s ALA 67 Ca 0.10 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.53 1b8e s ALA 67 Cb -0.22 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 1b8e s ALA 67 CO -0.04 0.35 0.05 -0.65 0.00 0.00 0.00 175.76 175.47 1b8e s GLN 68 N -3.28 3.15 0.01 0.00 -1.52 -1.26 -0.61 119.66 116.15 1b8e s GLN 68 Ca 0.44 -0.32 0.01 0.00 -1.95 0.00 0.00 55.36 53.54 1b8e s GLN 68 Cb -0.11 -2.93 -0.01 0.00 -0.22 0.00 0.00 33.01 29.75 1b8e s GLN 68 CO 0.27 0.71 -0.04 0.15 -0.25 0.00 0.00 175.29 176.14 1b8e s LYS 69 N -0.89 0.30 -0.20 2.91 1.02 -0.16 -4.97 119.74 117.74 1b8e s LYS 69 Ca 0.13 -0.29 -0.01 0.00 0.02 0.00 0.00 55.97 55.83 1b8e s LYS 69 Cb -0.12 -0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.01 1b8e s LYS 69 CO 0.03 0.05 -0.12 0.21 -0.92 0.00 0.00 175.35 174.59 1b8e s LYS 70 N -0.52 3.19 0.09 1.68 2.20 -1.26 -0.82 119.74 124.30 1b8e s LYS 70 Ca -0.03 -0.73 0.08 0.00 -0.36 0.00 0.00 55.97 54.93 1b8e s LYS 70 Cb -0.04 -2.78 -0.03 0.00 -1.51 0.00 0.00 37.83 33.47 1b8e s LYS 70 CO -0.00 -0.18 -0.20 0.96 -0.36 0.00 0.00 175.35 175.57 1b8e s ILE 71 N 1.33 1.62 -0.19 5.43 -4.36 -0.44 -4.97 121.20 119.61 1b8e s ILE 71 Ca 0.04 -1.47 -0.05 0.00 -0.26 0.00 0.00 60.65 58.91 1b8e s ILE 71 Cb -0.14 -1.48 -0.02 0.00 1.25 0.00 0.00 42.46 42.07 1b8e s ILE 71 CO -0.07 -0.06 -0.01 -0.63 0.24 0.00 0.00 174.94 174.41 1b8e s ILE 72 N -1.14 3.89 -0.30 8.37 -1.09 -1.26 -0.31 121.20 129.36 1b8e s ILE 72 Ca 0.05 -0.34 -0.08 0.00 -2.23 0.00 0.00 60.65 58.06 1b8e s ILE 72 Cb -0.10 -2.75 0.00 0.00 -1.58 0.00 0.00 42.46 38.04 1b8e s ILE 72 CO 0.04 0.44 0.10 0.00 -1.23 0.00 0.00 174.94 174.29 1b8e s ALA 73 N 0.93 3.13 0.17 9.38 0.00 0.26 -4.45 121.76 131.18 1b8e s ALA 73 Ca 0.01 -1.44 -0.23 0.00 0.00 0.00 0.00 51.96 50.30 1b8e s ALA 73 Cb -0.14 -2.22 -0.08 0.00 0.00 0.00 0.00 23.12 20.67 1b8e s ALA 73 CO 0.02 -0.92 0.73 -1.21 0.00 0.00 0.00 175.76 174.37 1b8e s GLU 74 N 1.53 4.42 0.80 0.00 2.02 -0.17 0.48 118.70 127.78 1b8e s GLU 74 Ca 0.03 1.01 -0.13 0.00 0.02 0.00 0.00 54.97 55.90 1b8e s GLU 74 Cb -0.17 -3.13 0.08 0.00 0.10 0.00 0.00 34.13 31.01 1b8e s GLU 74 CO 0.04 0.52 1.20 -1.59 0.02 0.00 0.00 175.26 175.45 1b8e s LYS 75 N -1.42 1.68 0.22 1.61 -2.85 -1.26 -1.00 119.74 116.73 1b8e s LYS 75 Ca 0.37 1.74 0.01 0.00 -1.00 0.00 0.00 55.97 57.10 1b8e s LYS 75 Cb -0.20 -1.78 -0.01 0.00 -2.06 0.00 0.00 37.83 33.78 1b8e s LYS 75 CO 0.23 -2.18 0.05 0.25 0.10 0.00 0.00 175.35 173.81 1b8e n THR 76 N -3.26 0.00 0.49 3.79 -2.24 -1.22 -4.73 114.28 107.11 1b8e n THR 76 Ca 0.13 -1.19 0.13 0.00 -2.27 0.00 0.00 64.05 60.86 1b8e n THR 76 Cb 0.51 0.37 0.45 0.00 -2.10 0.00 0.00 70.33 69.55 1b8e n THR 76 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1b8e h LYS 77 N 0.00 0.00 -5.19 -0.78 1.79 -1.96 -3.41 116.57 107.01 1b8e h LYS 77 Ca -0.17 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.68 1b8e h LYS 77 Cb 0.61 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.12 1b8e h LYS 77 CO 0.28 0.00 -0.36 0.42 -1.08 0.00 0.00 179.45 178.70 1b8e s ILE 78 N -3.23 5.27 0.45 1.86 1.01 -1.26 -5.06 121.20 120.24 1b8e s ILE 78 Ca 0.07 0.41 -0.24 0.00 0.00 0.00 0.00 60.65 60.89 1b8e s ILE 78 Cb 0.10 -3.61 -0.08 0.00 0.01 0.00 0.00 42.46 38.89 1b8e s ILE 78 CO 0.51 0.28 1.24 -2.16 0.00 0.00 0.00 174.94 174.81 1b8e s PRO 79 N 1.37 3.78 0.00 2.79 0.04 -1.26 -2.89 135.00 138.82 1b8e s PRO 79 Ca 0.12 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1b8e s PRO 79 Cb -0.14 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1b8e s PRO 79 CO 0.07 -0.60 0.00 0.00 0.04 0.00 0.00 177.00 176.52 1b8e n ALA 80 N -0.28 0.00 -3.92 8.56 0.00 -1.26 -4.85 120.51 118.75 1b8e n ALA 80 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.16 1b8e n ALA 80 Cb 0.46 -0.14 -0.15 0.00 0.00 0.00 0.00 19.45 19.61 1b8e n ALA 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1b8e s VAL 81 N -3.47 2.47 0.11 0.00 1.01 -1.14 -0.39 120.40 118.99 1b8e s VAL 81 Ca 0.00 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.25 1b8e s VAL 81 Cb 0.00 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1b8e s VAL 81 CO 0.00 0.48 -0.24 -0.36 0.00 0.00 0.00 175.10 174.98 1b8e s PHE 82 N 1.34 2.08 -0.11 5.22 0.40 0.36 -3.43 117.98 123.83 1b8e s PHE 82 Ca 0.05 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.01 1b8e s PHE 82 Cb -0.14 -1.14 -0.00 0.00 0.51 0.00 0.00 43.02 42.26 1b8e s PHE 82 CO -0.10 0.27 -0.22 0.21 0.70 0.00 0.00 175.22 176.08 1b8e s LYS 83 N -1.93 3.09 -0.49 0.44 2.20 -0.17 -0.24 119.74 122.64 1b8e s LYS 83 Ca 0.11 -0.85 -0.20 0.00 -0.36 0.00 0.00 55.97 54.66 1b8e s LYS 83 Cb -0.10 -2.37 0.04 0.00 -1.51 0.00 0.00 37.83 33.90 1b8e s LYS 83 CO 0.05 0.15 0.67 0.42 -0.36 0.00 0.00 175.35 176.28 1b8e s ILE 84 N 0.43 4.80 -0.31 5.43 1.01 0.86 -1.00 121.20 132.43 1b8e s ILE 84 Ca -0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.24 1b8e s ILE 84 Cb -0.17 -4.30 -0.07 0.00 0.01 0.00 0.00 42.46 37.93 1b8e s ILE 84 CO 0.07 -0.78 3.10 -0.67 0.00 0.00 0.00 174.94 176.66 1b8e n ASP 85 N 6.37 6.05 -4.34 3.58 2.03 -1.26 -2.76 116.55 126.21 1b8e n ASP 85 Ca -0.04 -2.92 -0.27 0.00 0.52 0.00 0.00 54.79 52.09 1b8e n ASP 85 Cb 0.46 -1.31 0.16 0.00 -0.72 0.00 0.00 41.12 39.71 1b8e n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b8e s ALA 86 N -0.60 3.01 0.33 -1.67 0.00 -1.26 -4.97 121.76 116.59 1b8e s ALA 86 Ca 0.62 -1.59 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1b8e s ALA 86 Cb 0.35 -2.32 0.65 0.00 0.00 0.00 0.00 23.12 21.80 1b8e s ALA 86 CO -0.13 -2.02 1.90 -0.07 0.00 0.00 0.00 175.76 175.44 1b8e h LEU 87 N -1.12 0.79 -8.19 0.00 3.38 -2.05 -3.30 115.31 104.82 1b8e h LEU 87 Ca -0.39 0.02 -0.70 0.00 0.09 0.00 0.00 57.88 56.90 1b8e h LEU 87 Cb 1.24 -0.15 -0.28 0.00 0.09 0.00 0.00 40.66 41.56 1b8e h LEU 87 CO 0.36 0.48 -0.57 0.20 0.09 0.00 0.00 178.44 179.00 1b8e s ASN 88 N -5.97 5.42 0.30 -0.43 0.01 -1.26 -5.08 114.94 107.93 1b8e s ASN 88 Ca -0.11 -1.23 -0.29 0.00 -0.71 0.00 0.00 52.86 50.52 1b8e s ASN 88 Cb 0.20 -1.91 -0.10 0.00 0.41 0.00 0.00 41.25 39.86 1b8e s ASN 88 CO 0.79 -0.38 1.16 -0.70 -1.51 0.00 0.00 177.10 176.46 1b8e s GLU 89 N 1.41 4.53 0.01 -0.60 2.12 -1.24 -4.92 118.70 120.01 1b8e s GLU 89 Ca 0.00 1.93 0.00 0.00 0.36 0.00 0.00 54.97 57.26 1b8e s GLU 89 Cb -0.20 -3.13 -0.01 0.00 0.26 0.00 0.00 34.13 31.04 1b8e s GLU 89 CO 0.03 0.07 -0.03 -0.80 -0.54 0.00 0.00 175.26 173.99 1b8e s ASN 90 N -0.77 0.26 0.06 -1.70 -0.87 -1.11 -4.22 114.94 106.58 1b8e s ASN 90 Ca 0.46 -0.28 0.05 0.00 -1.57 0.00 0.00 52.86 51.52 1b8e s ASN 90 Cb -0.34 0.04 -0.04 0.00 -0.02 0.00 0.00 41.25 40.89 1b8e s ASN 90 CO 0.44 -0.14 -0.04 -0.54 -2.57 0.00 0.00 177.10 174.25 1b8e s LYS 91 N -0.80 2.45 -0.14 -0.60 1.02 -0.87 -0.10 119.74 120.71 1b8e s LYS 91 Ca -0.08 -0.84 -0.01 0.00 0.02 0.00 0.00 55.97 55.06 1b8e s LYS 91 Cb -0.06 -2.48 -0.01 0.00 -0.52 0.00 0.00 37.83 34.76 1b8e s LYS 91 CO -0.00 0.55 -0.11 0.08 -0.92 0.00 0.00 175.35 174.95 1b8e s VAL 92 N -1.19 3.15 -0.13 3.17 1.01 0.66 -0.85 120.40 126.23 1b8e s VAL 92 Ca 0.22 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1b8e s VAL 92 Cb -0.11 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.93 1b8e s VAL 92 CO 0.14 0.51 -0.19 -0.76 0.00 0.00 0.00 175.10 174.79 1b8e s LEU 93 N 0.51 1.96 -0.30 3.92 2.01 0.43 -0.49 118.68 126.72 1b8e s LEU 93 Ca -0.08 -0.54 -0.19 0.00 0.01 0.00 0.00 54.13 53.33 1b8e s LEU 93 Cb -0.15 -1.31 -0.01 0.00 0.01 0.00 0.00 46.19 44.72 1b8e s LEU 93 CO 0.04 0.05 0.57 -0.69 1.01 0.00 0.00 176.35 177.33 1b8e s VAL 94 N 0.91 4.99 -0.02 -1.59 1.01 0.47 -1.24 120.40 124.93 1b8e s VAL 94 Ca -0.06 0.76 -0.14 0.00 0.00 0.00 0.00 61.98 62.54 1b8e s VAL 94 Cb -0.15 -3.94 -0.33 0.00 0.00 0.00 0.00 36.38 31.96 1b8e s VAL 94 CO -0.02 -0.08 0.82 -0.07 0.00 0.00 0.00 175.10 175.74 1b8e h LEU 95 N 9.03 0.71 -7.00 3.92 3.38 -1.40 -0.59 115.31 123.36 1b8e h LEU 95 Ca -0.28 -0.93 0.18 0.00 0.09 0.00 0.00 57.88 56.95 1b8e h LEU 95 Cb 1.13 -0.23 -0.22 0.00 0.09 0.00 0.00 40.66 41.43 1b8e h LEU 95 CO 0.77 1.74 0.74 -0.62 0.09 0.00 0.00 178.44 181.16 1b8e s ASP 96 N -7.41 -0.20 -0.02 -0.43 2.15 -1.20 -3.34 116.67 106.21 1b8e s ASP 96 Ca -0.13 0.13 -0.29 0.00 0.43 0.00 0.00 52.55 52.69 1b8e s ASP 96 Cb 0.05 0.19 0.09 0.00 -0.30 0.00 0.00 42.92 42.94 1b8e s ASP 96 CO 0.89 -0.25 0.78 0.28 -0.17 0.00 0.00 175.17 176.70 1b8e s THR 97 N -1.74 0.00 -0.37 1.71 -1.32 -1.26 -0.50 115.64 112.16 1b8e s THR 97 Ca 0.05 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.61 1b8e s THR 97 Cb -0.01 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.17 1b8e s THR 97 CO -0.04 0.00 1.14 -0.90 -2.21 0.00 0.00 174.62 172.61 1b8e n ASP 98 N 0.36 2.54 0.00 8.08 5.75 -1.05 -5.00 116.55 127.24 1b8e n ASP 98 Ca -0.14 -2.20 0.00 0.00 -0.01 0.00 0.00 54.79 52.44 1b8e n ASP 98 Cb 0.60 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1b8e n ASP 98 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1b8e n TYR 99 N -0.23 0.00 1.01 2.11 4.01 -1.26 -4.44 117.16 118.36 1b8e n TYR 99 Ca 0.08 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.92 1b8e n TYR 99 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 1b8e n TYR 99 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1b8e n LYS 100 N 0.00 0.17 0.00 -0.72 2.85 -1.26 -4.76 118.16 114.44 1b8e n LYS 100 Ca 0.00 -0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.13 1b8e n LYS 100 Cb 0.00 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 1b8e n LYS 100 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1b8e n LYS 101 N -1.30 0.00 -4.16 -1.58 4.81 -1.26 -4.78 118.16 109.89 1b8e n LYS 101 Ca 0.05 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.39 1b8e n LYS 101 Cb 0.35 -0.14 -0.10 0.00 0.02 0.00 0.00 35.03 35.16 1b8e n LYS 101 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1b8e s TYR 102 N -1.97 0.86 -0.10 5.64 1.13 -1.26 -1.04 117.35 120.60 1b8e s TYR 102 Ca 0.00 -0.90 -0.05 0.00 -1.41 0.00 0.00 57.07 54.71 1b8e s TYR 102 Cb 0.00 -0.50 0.04 0.00 -1.10 0.00 0.00 41.96 40.40 1b8e s TYR 102 CO 0.00 -0.16 0.23 -1.17 -2.51 0.00 0.00 175.55 171.94 1b8e s LEU 103 N -2.94 0.50 -0.16 -3.49 0.20 -0.36 -2.52 118.68 109.91 1b8e s LEU 103 Ca 0.10 0.48 -0.04 0.00 0.69 0.00 0.00 54.13 55.36 1b8e s LEU 103 Cb 0.04 0.68 -0.03 0.00 -0.43 0.00 0.00 46.19 46.45 1b8e s LEU 103 CO -0.05 -0.16 -0.02 -0.76 -0.29 0.00 0.00 176.35 175.07 1b8e s LEU 104 N 1.18 3.35 0.12 -0.68 1.43 0.35 -0.20 118.68 124.23 1b8e s LEU 104 Ca -0.09 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 1b8e s LEU 104 Cb -0.10 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.32 1b8e s LEU 104 CO -0.08 0.18 0.30 0.72 0.23 0.00 0.00 176.35 177.70 1b8e s PHE 105 N 0.31 0.07 0.11 0.29 -0.71 -0.68 -1.13 117.98 116.25 1b8e s PHE 105 Ca -0.03 -0.45 0.07 0.00 -1.04 0.00 0.00 56.93 55.48 1b8e s PHE 105 Cb -0.14 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 1b8e s PHE 105 CO 0.02 -0.66 -0.16 0.00 -1.34 0.00 0.00 175.22 173.09 1b8e s MET 107 N -2.35 3.27 0.03 0.00 -1.94 0.79 -0.43 119.30 118.66 1b8e s MET 107 Ca 0.07 -0.73 0.07 0.00 -1.71 0.00 0.00 55.69 53.39 1b8e s MET 107 Cb -0.07 -2.63 -0.03 0.00 2.01 0.00 0.00 34.83 34.11 1b8e s MET 107 CO 0.04 0.08 -0.18 -2.00 -0.01 0.00 0.00 175.02 172.94 1b8e s GLU 108 N 0.67 2.12 -0.47 2.03 2.12 -0.03 -1.08 118.70 124.06 1b8e s GLU 108 Ca -0.07 -0.94 -0.07 0.00 0.36 0.00 0.00 54.97 54.24 1b8e s GLU 108 Cb -0.16 -2.20 0.12 0.00 0.26 0.00 0.00 34.13 32.16 1b8e s GLU 108 CO 0.02 0.55 0.32 -0.80 -0.54 0.00 0.00 175.26 174.81 1b8e s ASN 109 N -1.28 5.57 0.08 -1.70 0.01 0.06 -2.04 114.94 115.63 1b8e s ASN 109 Ca 0.14 -2.03 -0.12 0.00 -0.71 0.00 0.00 52.86 50.13 1b8e s ASN 109 Cb -0.10 -1.95 -0.23 0.00 0.41 0.00 0.00 41.25 39.38 1b8e s ASN 109 CO 0.04 -0.63 1.19 0.77 -1.51 0.00 0.00 177.10 176.96 1b8e h SER 110 N 8.22 0.84 -0.54 -1.22 4.64 -1.86 -3.28 113.55 120.36 1b8e h SER 110 Ca -0.17 -0.70 0.16 0.00 -0.47 0.00 0.00 61.79 60.61 1b8e h SER 110 Cb 1.06 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 1b8e h SER 110 CO 0.80 1.50 0.47 0.00 -0.87 0.00 0.00 176.83 178.73 1b8e h ALA 111 N 0.43 2.37 -2.52 5.18 0.00 -1.93 -3.42 119.26 119.38 1b8e h ALA 111 Ca -0.14 -0.02 -0.46 0.00 0.00 0.00 0.00 54.91 54.29 1b8e h ALA 111 Cb 1.74 0.04 0.12 0.00 0.00 0.00 0.00 17.79 19.69 1b8e h ALA 111 CO 0.21 -0.74 0.32 -1.21 0.00 0.00 0.00 179.25 177.83 1b8e s GLU 112 N -4.80 1.32 0.00 0.00 2.02 -1.23 -5.05 118.70 110.96 1b8e s GLU 112 Ca -0.05 0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.20 1b8e s GLU 112 Cb 0.18 -1.86 0.00 0.00 0.10 0.00 0.00 34.13 32.55 1b8e s GLU 112 CO 0.64 -2.07 0.01 -0.35 0.02 0.00 0.00 175.26 173.51 1b8e n PRO 113 N -3.67 0.00 0.00 0.39 -0.04 -1.26 -4.81 135.00 125.61 1b8e n PRO 113 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1b8e n PRO 113 Cb 0.60 -0.51 0.00 0.00 -0.04 0.00 0.00 33.50 33.55 1b8e n PRO 113 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1b8e n GLU 114 N -0.01 0.00 -3.19 0.54 -0.58 -1.26 -4.97 120.64 111.17 1b8e n GLU 114 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 1b8e n GLU 114 Cb 0.00 -0.26 -0.03 0.00 -0.57 0.00 0.00 31.44 30.57 1b8e n GLU 114 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1b8e s GLN 115 N 0.00 0.82 -0.50 3.49 -1.52 -1.26 -5.04 119.66 115.65 1b8e s GLN 115 Ca 0.00 -0.74 -0.22 0.00 -1.95 0.00 0.00 55.36 52.44 1b8e s GLN 115 Cb 0.00 -0.30 0.04 0.00 -0.22 0.00 0.00 33.01 32.52 1b8e s GLN 115 CO 0.00 -1.23 0.79 0.45 -0.25 0.00 0.00 175.29 175.05 1b8e s SER 116 N 1.40 6.34 -0.00 5.90 0.15 -1.26 -4.78 113.70 121.44 1b8e s SER 116 Ca 0.20 -0.39 0.06 0.00 0.70 0.00 0.00 55.95 56.51 1b8e s SER 116 Cb -0.07 -2.38 -0.02 0.00 -1.71 0.00 0.00 66.02 61.85 1b8e s SER 116 CO -0.06 -1.01 -0.18 -0.22 1.20 0.00 0.00 173.24 172.97 1b8e s LEU 117 N 3.34 2.06 -0.04 3.45 2.96 -1.26 -0.76 118.68 128.43 1b8e s LEU 117 Ca 0.26 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 1b8e s LEU 117 Cb -0.14 -0.89 0.01 0.00 0.50 0.00 0.00 46.19 45.68 1b8e s LEU 117 CO 0.19 0.20 -0.07 0.00 -1.32 0.00 0.00 176.35 175.35 1b8e s ALA 118 N -0.48 0.77 0.21 5.97 0.00 -0.24 -1.40 121.76 126.59 1b8e s ALA 118 Ca 0.06 -0.17 0.10 0.00 0.00 0.00 0.00 51.96 51.96 1b8e s ALA 118 Cb -0.07 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 1b8e s ALA 118 CO -0.00 0.05 -0.20 0.00 0.00 0.00 0.00 175.76 175.61 1b8e s GLN 120 N -3.01 0.63 -0.31 0.00 -0.21 0.15 -1.64 119.66 115.28 1b8e s GLN 120 Ca 0.22 -1.04 -0.06 0.00 0.02 0.00 0.00 55.36 54.51 1b8e s GLN 120 Cb -0.06 -0.12 0.03 0.00 1.00 0.00 0.00 33.01 33.86 1b8e s GLN 120 CO 0.10 -0.02 0.07 0.00 -2.12 0.00 0.00 175.29 173.32 1b8e s LEU 122 N 1.42 4.22 0.10 0.00 1.43 0.72 -0.80 118.68 125.77 1b8e s LEU 122 Ca 0.00 0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.42 1b8e s LEU 122 Cb -0.18 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 1b8e s LEU 122 CO 0.01 0.25 -0.14 0.68 0.23 0.00 0.00 176.35 177.39 1b8e s VAL 123 N -1.31 1.19 0.14 -1.59 -7.23 -0.34 -1.23 120.40 110.03 1b8e s VAL 123 Ca 0.27 -1.53 -0.10 0.00 -1.81 0.00 0.00 61.98 58.81 1b8e s VAL 123 Cb -0.12 -1.31 -0.10 0.00 0.56 0.00 0.00 36.38 35.40 1b8e s VAL 123 CO 0.18 -0.35 1.40 0.03 -0.31 0.00 0.00 175.10 176.06 1b8e h ARG 124 N 3.86 0.78 -4.03 4.82 2.47 -1.37 -0.13 114.38 120.77 1b8e h ARG 124 Ca -0.40 -0.53 -0.16 0.00 -1.26 0.00 0.00 59.98 57.63 1b8e h ARG 124 Cb 1.19 0.08 -0.20 0.00 -1.65 0.00 0.00 29.97 29.39 1b8e h ARG 124 CO 0.46 1.16 -0.69 0.95 0.56 0.00 0.00 179.97 182.41 1b8e s THR 125 N -4.00 0.13 -0.56 2.04 -4.23 -1.26 -4.68 115.64 103.09 1b8e s THR 125 Ca -0.10 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 1b8e s THR 125 Cb 0.10 -0.55 0.00 0.00 1.34 0.00 0.00 72.50 73.39 1b8e s THR 125 CO 0.88 -0.61 0.43 -0.81 -0.54 0.00 0.00 174.62 173.97 1b8e n PRO 126 N 1.26 0.60 -1.02 3.99 -0.04 -1.26 -4.90 135.00 133.63 1b8e n PRO 126 Ca -0.22 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.89 1b8e n PRO 126 Cb 0.56 -1.26 0.07 0.00 -0.04 0.00 0.00 33.50 32.84 1b8e n PRO 126 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1b8e n GLU 127 N 0.42 -0.03 -1.19 0.54 2.13 -1.26 -4.91 120.64 116.35 1b8e n GLU 127 Ca 0.00 0.02 -0.25 0.00 0.66 0.00 0.00 57.16 57.59 1b8e n GLU 127 Cb 0.22 -1.52 0.03 0.00 0.27 0.00 0.00 31.44 30.43 1b8e n GLU 127 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1b8e n VAL 128 N -2.78 3.15 -4.27 6.31 0.24 -1.26 -4.95 118.33 114.77 1b8e n VAL 128 Ca 0.05 -2.41 -0.29 0.00 -2.04 0.00 0.00 64.34 59.65 1b8e n VAL 128 Cb 0.53 -1.34 -0.11 0.00 -1.47 0.00 0.00 33.84 31.45 1b8e n VAL 128 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1b8e s ASP 129 N -0.36 4.09 -0.25 -1.34 2.15 -1.26 -5.03 116.67 114.66 1b8e s ASP 129 Ca 0.46 -0.50 0.12 0.00 0.43 0.00 0.00 52.55 53.06 1b8e s ASP 129 Cb 0.35 -0.66 0.52 0.00 -0.30 0.00 0.00 42.92 42.83 1b8e s ASP 129 CO -0.08 0.17 1.46 -0.90 -0.17 0.00 0.00 175.17 175.65 1b8e n ASP 130 N 0.71 3.02 -0.01 -0.34 5.75 -1.26 -4.65 116.55 119.76 1b8e n ASP 130 Ca -0.14 -3.48 -0.11 0.00 -0.01 0.00 0.00 54.79 51.05 1b8e n ASP 130 Cb 0.53 -0.61 -0.05 0.00 -1.03 0.00 0.00 41.12 39.96 1b8e n ASP 130 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1b8e h GLU 131 N 1.25 0.17 -0.47 0.11 4.81 -1.99 -0.89 114.58 117.57 1b8e h GLU 131 Ca 0.15 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.42 1b8e h GLU 131 Cb 1.61 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.91 1b8e h GLU 131 CO 0.35 0.12 0.21 0.00 -0.73 0.00 0.00 179.01 178.96 1b8e h ALA 132 N 1.04 0.59 -0.34 2.92 0.00 -1.97 -1.45 119.26 120.05 1b8e h ALA 132 Ca 0.05 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1b8e h ALA 132 Cb -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1b8e h ALA 132 CO -0.01 -0.16 -0.06 -0.07 0.00 0.00 0.00 179.25 178.95 1b8e h LEU 133 N 0.41 0.53 -0.28 0.00 3.38 -1.81 -0.54 115.31 117.00 1b8e h LEU 133 Ca 0.22 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1b8e h LEU 133 Cb 0.17 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1b8e h LEU 133 CO -0.18 0.64 -0.41 -0.33 0.09 0.00 0.00 178.44 178.25 1b8e h GLU 134 N 0.52 0.77 -0.68 1.13 4.39 -0.92 -1.83 114.58 117.97 1b8e h GLU 134 Ca 0.10 -0.46 -0.06 0.00 0.34 0.00 0.00 59.36 59.28 1b8e h GLU 134 Cb 0.42 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 1b8e h GLU 134 CO 0.02 1.09 0.18 0.87 -1.16 0.00 0.00 179.01 180.00 1b8e h LYS 135 N 0.53 1.06 -0.38 2.33 1.79 -1.08 -0.68 116.57 120.13 1b8e h LYS 135 Ca 0.03 -0.24 -0.04 0.00 -2.18 0.00 0.00 60.65 58.22 1b8e h LYS 135 Cb 1.01 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.49 1b8e h LYS 135 CO 0.10 0.93 0.10 0.35 -1.08 0.00 0.00 179.45 179.85 1b8e h PHE 136 N 1.01 0.64 -0.52 -1.35 3.57 -0.95 0.80 116.94 120.14 1b8e h PHE 136 Ca 0.22 -0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.72 1b8e h PHE 136 Cb 0.34 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.84 1b8e h PHE 136 CO 0.03 0.62 0.18 0.22 -2.23 0.00 0.00 178.31 177.12 1b8e h ASP 137 N 0.48 0.17 -0.41 0.41 3.58 -1.11 -1.10 116.42 118.43 1b8e h ASP 137 Ca 0.12 0.07 -0.15 0.00 0.42 0.00 0.00 57.03 57.49 1b8e h ASP 137 Cb 0.30 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1b8e h ASP 137 CO 0.00 0.12 -0.32 0.50 -2.88 0.00 0.00 179.24 176.66 1b8e h LYS 138 N 0.35 0.95 -0.08 0.28 3.64 -0.97 -2.91 116.57 117.84 1b8e h LYS 138 Ca 0.25 -0.46 -0.08 0.00 -1.27 0.00 0.00 60.65 59.09 1b8e h LYS 138 Cb 0.29 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1b8e h LYS 138 CO -0.27 1.12 -0.32 0.00 -2.27 0.00 0.00 179.45 177.71 1b8e h ALA 139 N 0.83 1.32 -0.06 5.00 0.00 -0.46 -3.00 119.26 122.90 1b8e h ALA 139 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1b8e h ALA 139 Cb 0.90 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1b8e h ALA 139 CO 0.08 0.48 0.00 1.28 0.00 0.00 0.00 179.25 181.09 1b8e n LEU 140 N -4.12 1.13 0.21 0.00 4.77 -0.45 -3.97 117.00 114.57 1b8e n LEU 140 Ca -0.01 -0.42 0.06 0.00 -0.03 0.00 0.00 56.01 55.60 1b8e n LEU 140 Cb 0.40 -0.03 0.45 0.00 -2.33 0.00 0.00 43.42 41.90 1b8e n LEU 140 CO 0.40 0.21 0.78 0.07 -1.33 0.00 0.00 177.39 177.51 1b8e h LYS 141 N 1.64 0.00 -0.00 3.23 2.10 -1.36 -2.69 116.57 119.48 1b8e h LYS 141 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1b8e h LYS 141 Cb 0.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 1b8e h LYS 141 CO 0.00 0.31 -0.13 0.00 -2.00 0.00 0.00 179.45 177.62 1b8e n ALA 142 N -2.37 2.80 -2.58 0.07 0.00 -1.25 -4.89 120.51 112.29 1b8e n ALA 142 Ca -0.01 -0.28 -0.26 0.00 0.00 0.00 0.00 53.44 52.88 1b8e n ALA 142 Cb 0.39 -1.31 -0.09 0.00 0.00 0.00 0.00 19.45 18.44 1b8e n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1b8e s LEU 143 N -2.49 2.99 -1.10 0.00 1.43 -1.02 -5.07 118.68 113.43 1b8e s LEU 143 Ca 0.28 -0.62 -0.16 0.00 -1.03 0.00 0.00 54.13 52.61 1b8e s LEU 143 Cb 0.20 -1.64 0.16 0.00 0.03 0.00 0.00 46.19 44.94 1b8e s LEU 143 CO 0.48 0.08 1.31 -2.16 0.23 0.00 0.00 176.35 176.30 1b8e s PRO 144 N -3.02 3.90 -0.16 1.29 0.04 -1.26 -5.00 135.00 130.79 1b8e s PRO 144 Ca 0.26 -2.28 -0.23 0.00 0.04 0.00 0.00 61.00 58.80 1b8e s PRO 144 Cb -0.08 -5.00 -0.02 0.00 0.04 0.00 0.00 34.50 29.43 1b8e s PRO 144 CO 0.16 -1.76 0.72 -1.64 0.04 0.00 0.00 177.00 174.52 1b8e s MET 145 N 1.97 4.29 0.00 4.56 -1.94 -1.26 -4.16 119.30 122.77 1b8e s MET 145 Ca 0.39 0.83 0.18 0.00 -1.71 0.00 0.00 55.69 55.37 1b8e s MET 145 Cb -0.04 -3.55 0.21 0.00 2.01 0.00 0.00 34.83 33.47 1b8e s MET 145 CO -0.04 -0.21 1.13 0.72 -0.01 0.00 0.00 175.02 176.61 1b8e n HIS 146 N 4.87 0.15 -3.73 -0.03 8.25 0.17 -4.92 115.22 119.98 1b8e n HIS 146 Ca 0.01 -0.11 -0.12 0.00 -0.26 0.00 0.00 57.72 57.24 1b8e n HIS 146 Cb 0.50 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.50 1b8e n HIS 146 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1b8e s ILE 147 N -1.37 -0.01 -0.03 1.59 2.07 -1.12 -4.73 121.20 117.60 1b8e s ILE 147 Ca 0.24 0.04 -0.01 0.00 -1.41 0.00 0.00 60.65 59.52 1b8e s ILE 147 Cb 0.16 -0.54 0.03 0.00 0.13 0.00 0.00 42.46 42.24 1b8e s ILE 147 CO 0.23 0.02 0.06 -0.60 -1.91 0.00 0.00 174.94 172.73 1b8e s ARG 148 N 0.67 -0.01 0.03 3.50 6.06 -1.26 -1.38 118.95 126.57 1b8e s ARG 148 Ca -0.04 0.23 0.05 0.00 -2.50 0.00 0.00 55.73 53.48 1b8e s ARG 148 Cb -0.05 -0.23 -0.02 0.00 0.06 0.00 0.00 34.95 34.70 1b8e s ARG 148 CO -0.04 -0.17 -0.16 -0.51 -2.50 0.00 0.00 175.30 171.92 1b8e s LEU 149 N 1.11 2.15 -0.04 -0.88 1.02 0.63 -5.00 118.68 117.67 1b8e s LEU 149 Ca -0.09 -0.45 0.01 0.00 0.02 0.00 0.00 54.13 53.62 1b8e s LEU 149 Cb -0.13 -0.71 0.02 0.00 0.02 0.00 0.00 46.19 45.40 1b8e s LEU 149 CO -0.04 0.08 -0.03 -0.55 0.02 0.00 0.00 176.35 175.83 1b8e s SER 150 N -1.05 0.75 0.14 2.29 0.15 -1.26 -0.71 113.70 114.01 1b8e s SER 150 Ca 0.03 -0.10 -0.02 0.00 0.70 0.00 0.00 55.95 56.57 1b8e s SER 150 Cb -0.08 -0.35 -0.05 0.00 -1.71 0.00 0.00 66.02 63.83 1b8e s SER 150 CO 0.01 -0.05 0.33 -0.36 1.20 0.00 0.00 173.24 174.37 1b8e s PHE 151 N 0.83 3.49 0.00 3.44 0.08 0.11 -5.01 117.98 120.92 1b8e s PHE 151 Ca -0.10 0.39 0.00 0.00 0.12 0.00 0.00 56.93 57.34 1b8e s PHE 151 Cb -0.13 -1.88 0.00 0.00 -0.57 0.00 0.00 43.02 40.44 1b8e s PHE 151 CO -0.00 0.46 0.50 0.09 -0.10 0.00 0.00 175.22 176.16