#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yup s ILE 2 N 0.00 2.05 -0.03 7.28 1.01 -1.26 -4.71 121.20 125.54 1yup s ILE 2 Ca 0.00 -1.07 0.03 0.00 0.00 0.00 0.00 60.65 59.61 1yup s ILE 2 Cb 0.00 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.55 1yup s ILE 2 CO 0.00 0.41 -0.10 -0.69 0.00 0.00 0.00 174.94 174.56 1yup s VAL 3 N 1.26 0.89 -0.35 2.92 1.01 -1.26 -5.12 120.40 119.75 1yup s VAL 3 Ca 0.02 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1yup s VAL 3 Cb -0.14 -0.80 0.16 0.00 0.00 0.00 0.00 36.38 35.60 1yup s VAL 3 CO -0.11 0.28 0.40 -0.89 0.00 0.00 0.00 175.10 174.78 1yup s THR 4 N 0.29 -0.47 -0.04 3.92 2.01 -1.26 -4.86 115.64 115.23 1yup s THR 4 Ca -0.05 -0.68 -0.25 0.00 0.31 0.00 0.00 61.69 61.01 1yup s THR 4 Cb -0.10 -0.70 -0.12 0.00 0.01 0.00 0.00 72.50 71.58 1yup s THR 4 CO 0.01 -0.45 0.70 0.00 -0.69 0.00 0.00 174.62 174.20 1yup n GLN 5 N 4.62 0.00 -3.34 4.92 6.02 -1.26 -5.01 117.38 123.33 1yup n GLN 5 Ca 0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.86 1yup n GLN 5 Cb 0.47 -0.93 0.00 0.00 1.02 0.00 0.00 30.24 30.80 1yup n GLN 5 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1yup s THR 6 N 0.21 4.05 -0.04 5.09 -4.23 -1.26 -4.50 115.64 114.96 1yup s THR 6 Ca 0.58 -0.87 -0.30 0.00 -1.18 0.00 0.00 61.69 59.92 1yup s THR 6 Cb -0.81 -3.42 -0.03 0.00 1.34 0.00 0.00 72.50 69.58 1yup s THR 6 CO 0.37 -0.20 1.14 -0.32 -0.54 0.00 0.00 174.62 175.08 1yup s MET 7 N -4.27 4.40 -0.05 3.99 1.75 -0.86 -4.81 119.30 119.45 1yup s MET 7 Ca 0.46 1.62 -0.29 0.00 -1.25 0.00 0.00 55.69 56.22 1yup s MET 7 Cb -0.10 -3.50 -0.02 0.00 2.84 0.00 0.00 34.83 34.05 1yup s MET 7 CO 0.33 -0.35 0.97 -1.59 -0.65 0.00 0.00 175.02 173.73 1yup s LYS 8 N 1.83 4.50 -1.32 4.11 0.00 -1.26 -3.83 119.74 123.76 1yup s LYS 8 Ca 0.55 1.37 -0.05 0.00 0.00 0.00 0.00 55.97 57.83 1yup s LYS 8 Cb -0.24 -3.49 -0.00 0.00 0.00 0.00 0.00 37.83 34.10 1yup s LYS 8 CO 0.23 -0.15 0.56 -0.25 0.00 0.00 0.00 175.35 175.74 1yup n ASP 9 N 4.33 -1.69 -4.73 0.03 8.00 -1.26 -4.89 116.55 116.34 1yup n ASP 9 Ca 0.07 -0.98 -0.42 0.00 0.71 0.00 0.00 54.79 54.16 1yup n ASP 9 Cb 0.50 -3.29 -0.02 0.00 -0.02 0.00 0.00 41.12 38.29 1yup n ASP 9 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1yup n LEU 10 N -4.33 4.19 -4.27 0.64 7.94 -1.25 -4.99 117.00 114.92 1yup n LEU 10 Ca -0.26 1.12 -0.42 0.00 -1.11 0.00 0.00 56.01 55.35 1yup n LEU 10 Cb 0.66 -1.58 -0.08 0.00 0.53 0.00 0.00 43.42 42.95 1yup n LEU 10 CO 0.72 0.12 -0.02 -0.62 -1.11 0.00 0.00 177.39 176.48 1yup s ASP 11 N 0.67 5.81 0.21 1.96 2.15 -1.26 -4.88 116.67 121.32 1yup s ASP 11 Ca 0.67 -1.66 0.24 0.00 0.43 0.00 0.00 52.55 52.23 1yup s ASP 11 Cb -0.51 -2.05 0.91 0.00 -0.30 0.00 0.00 42.92 40.96 1yup s ASP 11 CO 0.44 -0.65 1.74 0.52 -0.17 0.00 0.00 175.17 177.04 1yup n VAL 12 N 5.00 0.70 0.20 1.11 0.31 -1.26 -2.02 118.33 122.37 1yup n VAL 12 Ca -0.10 0.01 0.08 0.00 -0.01 0.00 0.00 64.34 64.32 1yup n VAL 12 Cb 0.42 -0.89 0.35 0.00 -0.91 0.00 0.00 33.84 32.81 1yup n VAL 12 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1yup h GLN 13 N 0.00 0.00 -0.00 5.55 1.08 -1.93 -3.01 115.11 116.80 1yup h GLN 13 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1yup h GLN 13 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1yup h GLN 13 CO 0.00 0.28 -0.02 1.63 -0.95 0.00 0.00 178.83 179.78 1yup n LYS 14 N -3.37 0.05 0.00 1.46 5.02 -0.86 -3.06 118.16 117.40 1yup n LYS 14 Ca 0.01 -0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.43 1yup n LYS 14 Cb 0.50 -1.50 0.47 0.00 -0.02 0.00 0.00 35.03 34.47 1yup n LYS 14 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1yup n VAL 15 N -1.48 0.00 -1.61 -0.18 0.24 -1.14 -4.82 118.33 109.35 1yup n VAL 15 Ca 0.08 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.34 61.84 1yup n VAL 15 Cb 0.33 0.27 0.01 0.00 -1.47 0.00 0.00 33.84 32.98 1yup n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yup n ALA 16 N -0.63 0.22 0.00 2.33 0.00 -1.17 -4.61 120.51 116.65 1yup n ALA 16 Ca 0.14 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1yup n ALA 16 Cb 0.33 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1yup n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yup n GLY 17 N 1.17 0.22 3.80 0.00 0.00 -0.42 -4.94 105.19 105.01 1yup n GLY 17 Ca 0.09 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 1yup n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yup s THR 18 N 0.00 5.10 0.23 2.61 2.01 -1.26 -1.61 115.64 122.72 1yup s THR 18 Ca 0.00 0.83 0.01 0.00 0.31 0.00 0.00 61.69 62.84 1yup s THR 18 Cb 0.00 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 1yup s THR 18 CO 0.00 0.50 0.09 0.26 -0.69 0.00 0.00 174.62 174.78 1yup s TRP 19 N -0.53 1.41 -0.00 4.92 0.52 -1.06 -4.65 118.94 119.56 1yup s TRP 19 Ca 0.23 -1.20 0.02 0.00 0.02 0.00 0.00 56.10 55.17 1yup s TRP 19 Cb -0.16 -0.80 -0.01 0.00 -1.15 0.00 0.00 33.47 31.36 1yup s TRP 19 CO 0.12 -0.38 -0.07 0.71 0.02 0.00 0.00 176.95 177.34 1yup s TYR 20 N -3.83 0.66 -0.48 -1.98 1.51 0.22 -4.02 117.35 109.45 1yup s TYR 20 Ca 0.36 -0.14 -0.28 0.00 -1.01 0.00 0.00 57.07 55.99 1yup s TYR 20 Cb 0.07 -0.42 0.01 0.00 -0.11 0.00 0.00 41.96 41.51 1yup s TYR 20 CO 0.12 -0.01 1.42 -1.12 -1.11 0.00 0.00 175.55 174.85 1yup s SER 21 N -0.25 6.23 0.01 2.29 0.01 -1.26 -1.39 113.70 119.35 1yup s SER 21 Ca 0.02 0.60 -0.09 0.00 1.31 0.00 0.00 55.95 57.79 1yup s SER 21 Cb -0.03 -2.54 -0.31 0.00 0.21 0.00 0.00 66.02 63.35 1yup s SER 21 CO -0.00 -1.56 0.89 0.25 0.41 0.00 0.00 173.24 173.23 1yup h LEU 22 N 12.64 0.58 -8.05 2.44 6.46 -1.49 -3.45 115.31 124.45 1yup h LEU 22 Ca -0.27 -0.73 -0.13 0.00 -0.12 0.00 0.00 57.88 56.63 1yup h LEU 22 Cb 1.10 -0.19 -0.17 0.00 -0.73 0.00 0.00 40.66 40.67 1yup h LEU 22 CO 1.13 1.59 -0.61 0.00 -0.62 0.00 0.00 178.44 179.93 1yup s ALA 23 N -2.61 0.19 0.03 1.25 0.00 -1.12 -1.54 121.76 117.97 1yup s ALA 23 Ca -0.10 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 1yup s ALA 23 Cb 0.06 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 1yup s ALA 23 CO 0.89 -0.32 -0.01 -1.64 0.00 0.00 0.00 175.76 174.68 1yup s MET 24 N -2.96 0.45 0.04 0.00 1.00 0.08 -2.03 119.30 115.88 1yup s MET 24 Ca -0.02 -0.83 0.00 0.00 0.00 0.00 0.00 55.69 54.84 1yup s MET 24 Cb 0.01 0.16 -0.03 0.00 0.00 0.00 0.00 34.83 34.97 1yup s MET 24 CO -0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 175.02 174.83 1yup s ALA 25 N -2.44 0.41 0.14 3.03 0.00 -0.40 0.00 121.76 122.51 1yup s ALA 25 Ca -0.07 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1yup s ALA 25 Cb -0.03 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1yup s ALA 25 CO -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 175.76 175.48 1yup s ALA 26 N -2.55 1.17 -0.39 0.00 0.00 0.16 -1.00 121.76 119.15 1yup s ALA 26 Ca -0.04 -1.50 0.22 0.00 0.00 0.00 0.00 51.96 50.64 1yup s ALA 26 Cb -0.02 0.47 0.29 0.00 0.00 0.00 0.00 23.12 23.86 1yup s ALA 26 CO -0.04 -0.32 1.58 0.66 0.00 0.00 0.00 175.76 177.64 1yup h SER 27 N 2.80 0.00 -3.26 0.00 4.64 -1.49 -0.45 113.55 115.79 1yup h SER 27 Ca -0.36 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.34 1yup h SER 27 Cb 1.19 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.94 1yup h SER 27 CO 0.63 0.08 -0.85 -0.62 -0.87 0.00 0.00 176.83 175.20 1yup s ASP 28 N -6.24 2.71 0.18 4.97 3.68 -1.26 -3.78 116.67 116.92 1yup s ASP 28 Ca 0.06 -0.50 -0.12 0.00 2.13 0.00 0.00 52.55 54.13 1yup s ASP 28 Cb 0.05 -1.23 0.09 0.00 -1.45 0.00 0.00 42.92 40.38 1yup s ASP 28 CO 0.68 0.06 1.79 0.40 0.13 0.00 0.00 175.17 178.23 1yup h ILE 29 N 5.88 1.20 -0.07 4.11 2.04 -1.85 -0.43 117.51 128.39 1yup h ILE 29 Ca -0.30 -0.50 0.02 0.00 1.00 0.00 0.00 64.86 65.08 1yup h ILE 29 Cb 1.19 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1yup h ILE 29 CO 0.51 0.22 0.15 0.77 0.00 0.00 0.00 178.15 179.80 1yup h SER 30 N 0.84 0.00 0.26 1.72 4.64 -1.95 0.57 113.55 119.63 1yup h SER 30 Ca 0.22 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.44 1yup h SER 30 Cb 0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1yup h SER 30 CO -0.03 0.00 -0.40 0.17 -0.87 0.00 0.00 176.83 175.70 1yup h LEU 31 N 0.00 0.20 -0.86 5.97 -0.00 -1.47 -3.34 115.31 115.81 1yup h LEU 31 Ca 0.03 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1yup h LEU 31 Cb 0.34 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 1yup h LEU 31 CO -0.00 0.59 0.00 0.18 -0.00 0.00 0.00 178.44 179.21 1yup n LEU 32 N -4.04 0.78 -4.54 0.17 4.32 -0.76 -2.10 117.00 110.83 1yup n LEU 32 Ca -0.01 -0.78 -0.42 0.00 -0.02 0.00 0.00 56.01 54.77 1yup n LEU 32 Cb 0.46 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.23 1yup n LEU 32 CO 0.41 0.20 1.03 -0.62 -1.22 0.00 0.00 177.39 177.18 1yup s ASP 33 N -0.06 6.24 0.00 -1.43 -1.08 0.19 -4.77 116.67 115.77 1yup s ASP 33 Ca 0.00 -0.42 0.00 0.00 -0.52 0.00 0.00 52.55 51.61 1yup s ASP 33 Cb 0.00 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 1yup s ASP 33 CO 0.00 -1.62 0.00 0.00 0.52 0.00 0.00 175.17 174.07 1yup n ALA 34 N 8.65 0.00 -0.09 3.66 0.00 -1.26 -4.35 120.51 127.12 1yup n ALA 34 Ca 0.03 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.65 1yup n ALA 34 Cb 0.48 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.53 1yup n ALA 34 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1yup h GLN 35 N 0.00 0.21 -0.01 0.00 1.08 -1.97 -2.25 115.11 112.17 1yup h GLN 35 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1yup h GLN 35 Cb 0.00 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 1yup h GLN 35 CO 0.00 0.14 -0.14 -1.13 -0.95 0.00 0.00 178.83 176.75 1yup n SER 36 N -4.43 0.64 -4.75 1.46 3.41 -1.26 -4.54 113.62 104.16 1yup n SER 36 Ca 0.12 -0.69 -0.37 0.00 -0.26 0.00 0.00 58.87 57.68 1yup n SER 36 Cb 0.57 -0.02 0.04 0.00 -0.26 0.00 0.00 64.21 64.55 1yup n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yup s ALA 37 N -2.46 2.53 0.28 7.33 0.00 -0.85 -4.93 121.76 123.66 1yup s ALA 37 Ca 0.28 1.12 -0.03 0.00 0.00 0.00 0.00 51.96 53.33 1yup s ALA 37 Cb 0.20 -3.50 0.38 0.00 0.00 0.00 0.00 23.12 20.20 1yup s ALA 37 CO 0.48 -1.32 1.90 -1.00 0.00 0.00 0.00 175.76 175.82 1yup h PRO 38 N 0.88 1.05 -0.60 0.00 0.13 -1.77 -2.74 132.00 128.96 1yup h PRO 38 Ca -0.51 -0.12 -0.08 0.00 -0.87 0.00 0.00 66.00 64.42 1yup h PRO 38 Cb 1.31 -0.21 -0.05 0.00 0.13 0.00 0.00 31.00 32.18 1yup h PRO 38 CO 0.55 0.78 0.10 1.28 -0.23 0.00 0.00 178.00 180.47 1yup n LEU 39 N -4.35 5.70 -4.52 1.56 4.77 -0.89 -4.82 117.00 114.45 1yup n LEU 39 Ca 0.08 -3.06 -0.42 0.00 -0.03 0.00 0.00 56.01 52.57 1yup n LEU 39 Cb 0.10 -0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 40.47 1yup n LEU 39 CO 0.38 0.71 1.35 -0.60 -1.33 0.00 0.00 177.39 177.91 1yup s ARG 40 N -2.87 3.68 -0.02 3.23 6.06 -1.03 -4.89 118.95 123.11 1yup s ARG 40 Ca 0.54 -1.57 0.03 0.00 -2.50 0.00 0.00 55.73 52.22 1yup s ARG 40 Cb 0.42 -5.20 -0.00 0.00 0.06 0.00 0.00 34.95 30.23 1yup s ARG 40 CO 0.14 -2.02 -0.09 0.14 -2.50 0.00 0.00 175.30 170.97 1yup s VAL 41 N 3.79 0.75 -0.26 7.11 -7.23 -1.26 -4.64 120.40 118.66 1yup s VAL 41 Ca 0.42 -0.36 -0.00 0.00 -1.81 0.00 0.00 61.98 60.22 1yup s VAL 41 Cb -0.01 -0.66 0.04 0.00 0.56 0.00 0.00 36.38 36.31 1yup s VAL 41 CO -0.07 0.23 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.57 1yup s TYR 42 N 0.06 3.15 0.50 2.82 2.02 -0.64 -4.94 117.35 120.33 1yup s TYR 42 Ca -0.01 -1.87 -0.21 0.00 -0.37 0.00 0.00 57.07 54.61 1yup s TYR 42 Cb -0.07 -2.03 -0.07 0.00 -0.40 0.00 0.00 41.96 39.40 1yup s TYR 42 CO 0.00 -0.80 1.16 0.08 -1.57 0.00 0.00 175.55 174.43 1yup s VAL 43 N 1.24 3.05 -0.04 0.71 1.01 -1.26 -0.94 120.40 124.17 1yup s VAL 43 Ca -0.04 0.73 0.01 0.00 0.00 0.00 0.00 61.98 62.69 1yup s VAL 43 Cb -0.18 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1yup s VAL 43 CO -0.04 -0.06 -0.03 1.21 0.00 0.00 0.00 175.10 176.17 1yup n GLU 44 N -0.85 0.79 -3.55 2.72 2.13 0.26 -4.02 120.64 118.12 1yup n GLU 44 Ca 0.09 0.02 -0.12 0.00 0.66 0.00 0.00 57.16 57.81 1yup n GLU 44 Cb 0.49 -1.09 -0.05 0.00 0.27 0.00 0.00 31.44 31.07 1yup n GLU 44 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1yup s GLU 45 N -2.08 0.74 -0.17 5.31 2.12 -0.93 -2.56 118.70 121.13 1yup s GLU 45 Ca -0.05 0.09 0.01 0.00 0.36 0.00 0.00 54.97 55.38 1yup s GLU 45 Cb 0.01 0.35 0.02 0.00 0.26 0.00 0.00 34.13 34.77 1yup s GLU 45 CO 0.11 -0.25 -0.17 -0.51 -0.54 0.00 0.00 175.26 173.90 1yup s LEU 46 N -1.37 1.95 -0.49 2.70 1.02 -0.63 -1.53 118.68 120.33 1yup s LEU 46 Ca -0.03 -0.60 0.01 0.00 0.02 0.00 0.00 54.13 53.53 1yup s LEU 46 Cb -0.00 -1.33 0.13 0.00 0.02 0.00 0.00 46.19 45.01 1yup s LEU 46 CO 0.01 -0.04 0.26 -0.54 0.02 0.00 0.00 176.35 176.07 1yup s LYS 47 N 1.38 2.04 0.58 1.70 1.02 0.63 -1.30 119.74 125.79 1yup s LYS 47 Ca 0.04 -2.32 -0.19 0.00 0.02 0.00 0.00 55.97 53.53 1yup s LYS 47 Cb -0.13 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 1yup s LYS 47 CO -0.12 -1.09 1.20 -2.14 -0.92 0.00 0.00 175.35 172.29 1yup s PRO 48 N 0.24 3.05 0.21 -1.68 0.02 -1.26 -1.33 135.00 134.26 1yup s PRO 48 Ca 0.14 1.80 0.05 0.00 0.02 0.00 0.00 61.00 63.02 1yup s PRO 48 Cb -0.22 -1.95 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 1yup s PRO 48 CO -0.03 -1.14 0.22 0.95 -0.33 0.00 0.00 177.00 176.67 1yup s THR 49 N -1.61 4.74 0.48 0.99 -4.23 -1.13 -4.87 115.64 110.00 1yup s THR 49 Ca 0.76 -1.13 0.15 0.00 -1.18 0.00 0.00 61.69 60.29 1yup s THR 49 Cb -0.30 -3.51 0.22 0.00 1.34 0.00 0.00 72.50 70.26 1yup s THR 49 CO 0.32 -0.24 2.06 -0.65 -0.54 0.00 0.00 174.62 175.57 1yup h PRO 50 N 1.77 0.02 0.00 3.99 0.11 -1.97 -1.04 132.00 134.89 1yup h PRO 50 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1yup h PRO 50 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1yup h PRO 50 CO 0.63 0.11 0.00 0.41 -0.21 0.00 0.00 178.00 178.94 1yup n GLY 51 N -1.26 -1.07 0.00 -0.55 0.00 -1.26 -4.88 105.19 96.17 1yup n GLY 51 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1yup n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yup n GLY 52 N 0.06 0.81 0.47 -0.02 0.00 -0.39 -4.94 105.19 101.17 1yup n GLY 52 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1yup n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yup n ASP 53 N 0.00 -1.03 -3.15 1.61 8.00 -1.25 -4.36 116.55 116.37 1yup n ASP 53 Ca 0.00 -0.64 0.04 0.00 0.71 0.00 0.00 54.79 54.90 1yup n ASP 53 Cb 0.00 -0.13 -0.00 0.00 -0.02 0.00 0.00 41.12 40.96 1yup n ASP 53 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1yup s LEU 54 N 0.00 -1.49 -0.00 0.64 2.96 -0.51 -2.85 118.68 117.44 1yup s LEU 54 Ca 0.10 0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 54.01 1yup s LEU 54 Cb -0.01 1.99 -0.03 0.00 0.50 0.00 0.00 46.19 48.64 1yup s LEU 54 CO 0.07 -0.27 1.02 -0.70 -1.32 0.00 0.00 176.35 175.15 1yup s GLU 55 N 2.85 4.52 -0.18 1.98 2.12 -0.44 -0.93 118.70 128.61 1yup s GLU 55 Ca 0.13 1.48 -0.02 0.00 0.36 0.00 0.00 54.97 56.92 1yup s GLU 55 Cb -0.10 -3.45 -0.00 0.00 0.26 0.00 0.00 34.13 30.83 1yup s GLU 55 CO -0.25 -0.12 -0.10 -1.50 -0.54 0.00 0.00 175.26 172.75 1yup s ILE 56 N 1.16 3.00 -0.24 -3.70 2.07 0.79 -0.27 121.20 124.00 1yup s ILE 56 Ca 0.53 -0.64 -0.11 0.00 -1.41 0.00 0.00 60.65 59.02 1yup s ILE 56 Cb -0.22 -2.32 -0.05 0.00 0.13 0.00 0.00 42.46 40.00 1yup s ILE 56 CO 0.27 0.48 0.21 -0.76 -1.91 0.00 0.00 174.94 173.22 1yup s LEU 57 N 1.09 4.10 0.38 8.50 1.43 -0.58 -0.72 118.68 132.87 1yup s LEU 57 Ca 0.00 0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.30 1yup s LEU 57 Cb -0.15 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 1yup s LEU 57 CO -0.02 0.01 0.20 -1.48 0.23 0.00 0.00 176.35 175.29 1yup s LEU 58 N 1.28 1.87 0.05 1.79 0.05 -0.96 -0.57 118.68 122.19 1yup s LEU 58 Ca 0.09 -1.73 0.03 0.00 0.05 0.00 0.00 54.13 52.57 1yup s LEU 58 Cb -0.14 0.22 -0.02 0.00 -2.05 0.00 0.00 46.19 44.19 1yup s LEU 58 CO 0.06 -1.01 -0.10 -1.10 -0.55 0.00 0.00 176.35 173.66 1yup s GLN 59 N -3.57 0.61 -0.13 1.48 -0.21 -0.12 -1.47 119.66 116.25 1yup s GLN 59 Ca 0.31 -0.79 -0.04 0.00 0.02 0.00 0.00 55.36 54.86 1yup s GLN 59 Cb 0.02 -0.46 0.07 0.00 1.00 0.00 0.00 33.01 33.64 1yup s GLN 59 CO 0.21 0.09 0.21 0.21 -2.12 0.00 0.00 175.29 173.89 1yup s LYS 60 N -1.57 0.12 0.14 2.91 2.20 -0.64 -1.61 119.74 121.28 1yup s LYS 60 Ca -0.07 0.51 -0.31 0.00 -0.36 0.00 0.00 55.97 55.74 1yup s LYS 60 Cb -0.10 -0.48 -0.10 0.00 -1.51 0.00 0.00 37.83 35.64 1yup s LYS 60 CO 0.01 -0.41 1.72 -0.46 -0.36 0.00 0.00 175.35 175.86 1yup s TRP 61 N 2.34 2.56 0.05 4.03 -0.11 -1.26 -0.55 118.94 126.01 1yup s TRP 61 Ca 0.04 0.25 0.00 0.00 1.22 0.00 0.00 56.10 57.61 1yup s TRP 61 Cb -0.13 -4.09 0.00 0.00 -1.50 0.00 0.00 33.47 27.75 1yup s TRP 61 CO -0.09 -4.29 0.00 0.39 -4.62 0.00 0.00 176.95 168.35 1yup n GLU 62 N 4.90 0.00 0.00 5.86 1.02 -0.52 -4.66 120.64 127.24 1yup n GLU 62 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1yup n GLU 62 Cb 0.38 -0.14 0.00 0.00 -0.02 0.00 0.00 31.44 31.66 1yup n GLU 62 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1yup n ASN 63 N -2.82 0.00 0.01 1.62 2.85 -1.26 -4.89 115.26 110.78 1yup n ASN 63 Ca 0.00 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.59 1yup n ASN 63 Cb 0.11 0.00 0.33 0.00 1.24 0.00 0.00 39.78 41.46 1yup n ASN 63 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1yup n GLY 64 N 4.97 -1.35 3.58 8.20 0.00 -1.26 -5.01 105.19 114.32 1yup n GLY 64 Ca 0.00 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 1yup n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yup s LYS 65 N -3.03 2.09 0.06 1.61 1.02 -1.26 -5.09 119.74 115.14 1yup s LYS 65 Ca 0.11 -1.17 -0.31 0.00 0.02 0.00 0.00 55.97 54.63 1yup s LYS 65 Cb 0.17 -2.22 -0.06 0.00 -0.52 0.00 0.00 37.83 35.20 1yup s LYS 65 CO 0.66 0.46 1.28 0.00 -0.92 0.00 0.00 175.35 176.84 1yup s ALA 67 N 1.39 2.25 0.21 0.00 0.00 0.28 -4.90 121.76 121.00 1yup s ALA 67 Ca 0.61 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.21 1yup s ALA 67 Cb -0.31 -0.96 -0.08 0.00 0.00 0.00 0.00 23.12 21.76 1yup s ALA 67 CO 0.28 0.05 1.11 -0.65 0.00 0.00 0.00 175.76 176.56 1yup s GLN 68 N 0.69 4.60 0.12 0.00 1.11 -1.26 -1.62 119.66 123.29 1yup s GLN 68 Ca -0.10 1.76 0.10 0.00 0.01 0.00 0.00 55.36 57.12 1yup s GLN 68 Cb -0.16 -3.25 -0.04 0.00 -1.01 0.00 0.00 33.01 28.55 1yup s GLN 68 CO 0.01 0.11 -0.25 0.15 0.01 0.00 0.00 175.29 175.32 1yup s LYS 69 N -0.68 1.30 -0.24 2.91 -0.14 -0.54 -4.98 119.74 117.37 1yup s LYS 69 Ca 0.48 -1.27 0.02 0.00 -1.36 0.00 0.00 55.97 53.84 1yup s LYS 69 Cb -0.30 -1.70 0.05 0.00 -1.68 0.00 0.00 37.83 34.19 1yup s LYS 69 CO 0.37 0.40 -0.13 0.15 -0.76 0.00 0.00 175.35 175.38 1yup s LYS 70 N -1.99 2.43 -0.39 1.68 1.02 -1.26 -2.27 119.74 118.97 1yup s LYS 70 Ca 0.11 -1.22 -0.10 0.00 0.02 0.00 0.00 55.97 54.78 1yup s LYS 70 Cb -0.10 -2.81 0.05 0.00 -0.52 0.00 0.00 37.83 34.45 1yup s LYS 70 CO 0.05 -0.48 0.22 0.42 -0.92 0.00 0.00 175.35 174.65 1yup s ILE 71 N 1.15 4.40 -0.15 2.17 1.01 0.10 -4.96 121.20 124.93 1yup s ILE 71 Ca -0.05 -1.09 -0.29 0.00 0.00 0.00 0.00 60.65 59.22 1yup s ILE 71 Cb -0.18 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.73 1yup s ILE 71 CO -0.07 -0.34 1.09 -0.63 0.00 0.00 0.00 174.94 174.99 1yup s ILE 72 N 1.50 4.58 -0.30 2.92 1.09 -1.26 -0.15 121.20 129.58 1yup s ILE 72 Ca 0.02 1.88 -0.02 0.00 -1.10 0.00 0.00 60.65 61.43 1yup s ILE 72 Cb -0.21 -4.21 0.05 0.00 -1.06 0.00 0.00 42.46 37.03 1yup s ILE 72 CO 0.05 -0.08 -0.00 0.00 -0.10 0.00 0.00 174.94 174.81 1yup s ALA 73 N 2.66 2.82 0.17 9.38 0.00 -0.11 -4.64 121.76 132.03 1yup s ALA 73 Ca 0.49 -1.72 -0.12 0.00 0.00 0.00 0.00 51.96 50.61 1yup s ALA 73 Cb -0.19 -1.93 -0.07 0.00 0.00 0.00 0.00 23.12 20.93 1yup s ALA 73 CO 0.14 -1.22 0.52 -1.21 0.00 0.00 0.00 175.76 173.99 1yup s GLU 74 N 1.27 3.87 0.59 0.00 2.02 -0.18 -1.42 118.70 124.86 1yup s GLU 74 Ca -0.04 0.35 -0.19 0.00 0.02 0.00 0.00 54.97 55.11 1yup s GLU 74 Cb -0.19 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.17 1yup s GLU 74 CO -0.01 0.43 1.19 -1.59 0.02 0.00 0.00 175.26 175.29 1yup s LYS 75 N -2.29 3.02 0.33 1.61 0.00 -1.26 -1.18 119.74 119.96 1yup s LYS 75 Ca 0.41 1.76 0.02 0.00 0.00 0.00 0.00 55.97 58.16 1yup s LYS 75 Cb -0.13 -1.94 -0.01 0.00 0.00 0.00 0.00 37.83 35.75 1yup s LYS 75 CO 0.20 -1.15 0.07 0.25 0.00 0.00 0.00 175.35 174.72 1yup n THR 76 N -1.61 0.00 0.00 3.79 -2.24 -1.24 -4.80 114.28 108.19 1yup n THR 76 Ca 0.13 -1.78 0.17 0.00 -2.27 0.00 0.00 64.05 60.29 1yup n THR 76 Cb 0.50 0.55 0.63 0.00 -2.10 0.00 0.00 70.33 69.91 1yup n THR 76 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1yup h GLU 77 N 0.00 0.11 -5.68 -0.78 9.09 -1.97 -3.39 114.58 111.96 1yup h GLU 77 Ca -0.26 -0.01 -0.58 0.00 0.05 0.00 0.00 59.36 58.56 1yup h GLU 77 Cb 0.92 -0.02 -0.08 0.00 -1.65 0.00 0.00 28.75 27.91 1yup h GLU 77 CO 0.42 0.07 -0.19 0.42 0.05 0.00 0.00 179.01 179.79 1yup s ILE 78 N -5.13 5.22 0.38 -1.06 -1.09 -1.26 -5.00 121.20 113.25 1yup s ILE 78 Ca -0.06 0.85 0.09 0.00 -2.23 0.00 0.00 60.65 59.30 1yup s ILE 78 Cb 0.19 -3.77 0.16 0.00 -1.58 0.00 0.00 42.46 37.46 1yup s ILE 78 CO 0.73 0.34 1.91 -0.65 -1.23 0.00 0.00 174.94 176.04 1yup h PRO 79 N 6.69 0.29 -0.06 2.79 0.11 -1.91 -2.82 132.00 137.08 1yup h PRO 79 Ca -0.41 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1yup h PRO 79 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1yup h PRO 79 CO 0.75 0.41 0.00 0.00 -0.21 0.00 0.00 178.00 178.95 1yup n ALA 80 N -2.49 2.51 -3.00 -0.75 0.00 -1.26 -4.82 120.51 110.70 1yup n ALA 80 Ca -0.00 -0.60 -0.33 0.00 0.00 0.00 0.00 53.44 52.50 1yup n ALA 80 Cb 0.26 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 18.60 1yup n ALA 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1yup s VAL 81 N -1.94 3.55 0.21 0.00 1.01 -1.07 -0.92 120.40 121.24 1yup s VAL 81 Ca 0.33 -0.48 0.10 0.00 0.00 0.00 0.00 61.98 61.93 1yup s VAL 81 Cb 0.20 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1yup s VAL 81 CO 0.31 0.51 -0.19 -0.36 0.00 0.00 0.00 175.10 175.37 1yup s PHE 82 N 0.33 2.02 -0.12 5.22 0.40 0.10 -3.64 117.98 122.29 1yup s PHE 82 Ca -0.07 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 55.82 1yup s PHE 82 Cb -0.15 -0.95 -0.03 0.00 0.51 0.00 0.00 43.02 42.40 1yup s PHE 82 CO 0.04 0.48 -0.07 -1.59 0.70 0.00 0.00 175.22 174.78 1yup s LYS 83 N -3.14 3.33 0.32 0.44 0.00 -0.32 -1.69 119.74 118.68 1yup s LYS 83 Ca 0.22 -0.57 0.03 0.00 0.00 0.00 0.00 55.97 55.66 1yup s LYS 83 Cb -0.05 -2.75 -0.06 0.00 0.00 0.00 0.00 37.83 34.97 1yup s LYS 83 CO 0.10 0.36 0.06 0.96 0.00 0.00 0.00 175.35 176.83 1yup s ILE 84 N 0.01 1.10 -0.43 3.79 -4.36 -1.13 -1.01 121.20 119.17 1yup s ILE 84 Ca -0.01 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.43 1yup s ILE 84 Cb -0.14 -2.77 0.17 0.00 1.25 0.00 0.00 42.46 40.98 1yup s ILE 84 CO 0.03 0.00 0.42 -0.62 0.24 0.00 0.00 174.94 175.01 1yup s ASP 85 N -3.47 0.81 -0.13 4.36 2.15 -1.25 -4.07 116.67 115.08 1yup s ASP 85 Ca 0.37 -2.75 -0.30 0.00 0.43 0.00 0.00 52.55 50.30 1yup s ASP 85 Cb 0.09 0.08 0.11 0.00 -0.30 0.00 0.00 42.92 42.90 1yup s ASP 85 CO 0.15 -0.15 0.91 0.00 -0.17 0.00 0.00 175.17 175.92 1yup s ALA 86 N 0.27 -1.89 -1.13 3.66 0.00 -1.06 -4.93 121.76 116.69 1yup s ALA 86 Ca 0.32 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.79 1yup s ALA 86 Cb 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1yup s ALA 86 CO -0.16 -0.33 0.00 1.28 0.00 0.00 0.00 175.76 176.55 1yup n LEU 87 N 0.76 -1.21 -1.90 0.00 4.77 -1.26 -0.52 117.00 117.64 1yup n LEU 87 Ca -0.12 0.18 -0.20 0.00 -0.03 0.00 0.00 56.01 55.84 1yup n LEU 87 Cb 0.58 -2.21 -0.06 0.00 -2.33 0.00 0.00 43.42 39.40 1yup n LEU 87 CO 0.18 -0.16 -0.21 0.59 -1.33 0.00 0.00 177.39 176.45 1yup n ASN 88 N -1.76 -5.41 -4.62 -1.43 5.03 -1.26 -4.92 115.26 100.89 1yup n ASN 88 Ca -0.15 0.30 -0.25 0.00 0.87 0.00 0.00 54.58 55.35 1yup n ASN 88 Cb 0.61 -4.68 -0.08 0.00 -1.02 0.00 0.00 39.78 34.61 1yup n ASN 88 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1yup s GLU 89 N -4.21 2.22 -0.02 3.52 0.41 0.32 -4.71 118.70 116.22 1yup s GLU 89 Ca 0.00 -1.29 0.03 0.00 -0.41 0.00 0.00 54.97 53.30 1yup s GLU 89 Cb 0.00 -2.20 0.04 0.00 -1.78 0.00 0.00 34.13 30.19 1yup s GLU 89 CO 0.00 0.41 0.84 0.27 -0.49 0.00 0.00 175.26 176.29 1yup n ASN 90 N -0.34 0.90 -3.67 -0.19 0.23 -0.50 -2.55 115.26 109.14 1yup n ASN 90 Ca -0.09 -1.79 -0.08 0.00 -0.53 0.00 0.00 54.58 52.09 1yup n ASN 90 Cb 0.57 -0.10 -0.09 0.00 -2.08 0.00 0.00 39.78 38.07 1yup n ASN 90 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1yup s LYS 91 N -0.71 0.45 -0.20 -3.83 2.20 -0.40 -2.84 119.74 114.42 1yup s LYS 91 Ca 0.05 1.04 -0.06 0.00 -0.36 0.00 0.00 55.97 56.63 1yup s LYS 91 Cb 0.04 0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 36.57 1yup s LYS 91 CO 0.00 -0.19 0.04 0.08 -0.36 0.00 0.00 175.35 174.92 1yup s VAL 92 N 2.05 4.38 -0.21 4.02 1.01 -0.68 -1.16 120.40 129.81 1yup s VAL 92 Ca -0.07 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1yup s VAL 92 Cb -0.09 -2.99 0.04 0.00 0.00 0.00 0.00 36.38 33.34 1yup s VAL 92 CO -0.15 0.43 -0.15 -0.76 0.00 0.00 0.00 175.10 174.47 1yup s LEU 93 N 0.78 2.66 -0.30 3.92 2.01 0.69 0.01 118.68 128.45 1yup s LEU 93 Ca 0.02 -0.98 -0.29 0.00 0.01 0.00 0.00 54.13 52.90 1yup s LEU 93 Cb -0.14 -1.47 0.01 0.00 0.01 0.00 0.00 46.19 44.60 1yup s LEU 93 CO 0.02 -0.10 1.23 -0.69 1.01 0.00 0.00 176.35 177.83 1yup s VAL 94 N 1.23 4.25 -0.10 -1.59 1.01 -0.10 -0.78 120.40 124.33 1yup s VAL 94 Ca -0.01 1.42 0.14 0.00 0.00 0.00 0.00 61.98 63.54 1yup s VAL 94 Cb -0.16 -4.23 -0.07 0.00 0.00 0.00 0.00 36.38 31.92 1yup s VAL 94 CO -0.09 -0.47 1.13 -0.07 0.00 0.00 0.00 175.10 175.60 1yup h LEU 95 N 10.60 0.00 0.00 3.92 4.07 -1.38 -2.28 115.31 130.24 1yup h LEU 95 Ca -0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1yup h LEU 95 Cb 1.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1yup h LEU 95 CO 1.03 0.63 0.00 -0.67 -1.08 0.00 0.00 178.44 178.35 1yup n ASP 96 N -3.10 0.00 -3.53 -0.43 2.03 -1.23 -3.20 116.55 107.10 1yup n ASP 96 Ca -0.04 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.19 1yup n ASP 96 Cb 0.82 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.20 1yup n ASP 96 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1yup s THR 97 N -1.85 0.00 -0.13 5.18 -1.32 -1.26 -1.32 115.64 114.94 1yup s THR 97 Ca 0.00 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.49 1yup s THR 97 Cb 0.00 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.03 1yup s THR 97 CO 0.00 0.00 1.00 -0.90 -2.21 0.00 0.00 174.62 172.51 1yup n ASP 98 N -0.13 2.05 0.00 8.08 5.75 -1.09 -5.02 116.55 126.18 1yup n ASP 98 Ca -0.07 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1yup n ASP 98 Cb 0.61 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 1yup n ASP 98 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1yup n TYR 99 N -0.33 0.00 0.06 2.11 4.01 -1.25 -4.48 117.16 117.27 1yup n TYR 99 Ca 0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.74 1yup n TYR 99 Cb 0.26 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.22 1yup n TYR 99 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1yup h LYS 100 N 0.00 0.00 0.00 -0.72 1.79 -1.96 -3.45 116.57 112.23 1yup h LYS 100 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1yup h LYS 100 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1yup h LYS 100 CO 0.00 0.51 -0.07 1.63 -1.08 0.00 0.00 179.45 180.44 1yup n LYS 101 N -3.09 0.00 -4.40 3.15 5.02 -1.26 -4.76 118.16 112.82 1yup n LYS 101 Ca -0.06 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.96 1yup n LYS 101 Cb 0.86 -0.32 -0.12 0.00 -0.02 0.00 0.00 35.03 35.43 1yup n LYS 101 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1yup s TYR 102 N -2.00 2.26 -0.10 2.13 1.13 -1.26 -0.93 117.35 118.59 1yup s TYR 102 Ca 0.00 -0.37 -0.04 0.00 -1.41 0.00 0.00 57.07 55.25 1yup s TYR 102 Cb 0.00 -1.17 0.05 0.00 -1.10 0.00 0.00 41.96 39.74 1yup s TYR 102 CO 0.00 0.41 0.20 -1.17 -2.51 0.00 0.00 175.55 172.48 1yup s LEU 103 N -2.38 -0.00 -0.16 -3.49 0.20 0.09 -2.69 118.68 110.25 1yup s LEU 103 Ca 0.17 0.43 -0.10 0.00 0.69 0.00 0.00 54.13 55.32 1yup s LEU 103 Cb -0.09 0.47 -0.05 0.00 -0.43 0.00 0.00 46.19 46.09 1yup s LEU 103 CO 0.08 -0.22 0.18 -0.76 -0.29 0.00 0.00 176.35 175.33 1yup s LEU 104 N 2.10 4.28 0.22 -0.68 1.43 -0.44 0.32 118.68 125.92 1yup s LEU 104 Ca -0.00 0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 53.40 1yup s LEU 104 Cb -0.12 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 1yup s LEU 104 CO -0.07 0.24 0.34 0.72 0.23 0.00 0.00 176.35 177.81 1yup s PHE 105 N -0.10 0.65 -0.08 0.29 -0.71 -0.67 -1.20 117.98 116.16 1yup s PHE 105 Ca 0.12 -0.96 -0.14 0.00 -1.04 0.00 0.00 56.93 54.91 1yup s PHE 105 Cb -0.12 -0.09 0.03 0.00 -1.21 0.00 0.00 43.02 41.63 1yup s PHE 105 CO 0.02 -0.85 0.35 0.00 -1.34 0.00 0.00 175.22 173.39 1yup s MET 107 N -0.53 1.18 0.07 0.00 0.23 0.93 -0.22 119.30 120.96 1yup s MET 107 Ca -0.06 -1.30 -0.26 0.00 -1.03 0.00 0.00 55.69 53.03 1yup s MET 107 Cb -0.04 -1.29 0.09 0.00 -1.53 0.00 0.00 34.83 32.06 1yup s MET 107 CO 0.02 0.27 0.80 -1.83 -2.03 0.00 0.00 175.02 172.26 1yup s GLU 108 N -2.47 1.03 -0.25 3.16 -1.05 -0.31 -1.66 118.70 117.16 1yup s GLU 108 Ca 0.11 -0.41 -0.09 0.00 -0.15 0.00 0.00 54.97 54.44 1yup s GLU 108 Cb -0.07 0.45 -0.04 0.00 -0.44 0.00 0.00 34.13 34.03 1yup s GLU 108 CO 0.05 -0.45 0.11 1.21 0.95 0.00 0.00 175.26 177.13 1yup s ASN 109 N -2.62 5.50 0.08 0.83 3.84 -1.26 -1.28 114.94 120.03 1yup s ASN 109 Ca 0.05 -0.10 0.21 0.00 0.21 0.00 0.00 52.86 53.23 1yup s ASN 109 Cb -0.01 -1.99 0.86 0.00 -0.55 0.00 0.00 41.25 39.55 1yup s ASN 109 CO -0.09 -0.01 1.66 -1.54 -2.79 0.00 0.00 177.10 174.33 1yup n SER 110 N 4.76 0.23 0.11 -4.21 3.41 -1.26 -1.52 113.62 115.13 1yup n SER 110 Ca -0.16 0.54 -0.03 0.00 -0.26 0.00 0.00 58.87 58.97 1yup n SER 110 Cb 0.52 -0.60 0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1yup n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yup h ALA 111 N 2.57 0.65 -1.62 7.33 0.00 -2.00 -3.39 119.26 122.81 1yup h ALA 111 Ca 0.00 -0.69 -0.49 0.00 0.00 0.00 0.00 54.91 53.74 1yup h ALA 111 Cb 0.38 -0.12 -0.34 0.00 0.00 0.00 0.00 17.79 17.71 1yup h ALA 111 CO 0.00 0.95 -1.00 0.39 0.00 0.00 0.00 179.25 179.58 1yup n GLU 112 N -3.50 0.77 0.23 0.00 -0.58 -0.57 -5.01 120.64 111.97 1yup n GLU 112 Ca -0.00 -2.96 0.07 0.00 -0.42 0.00 0.00 57.16 53.85 1yup n GLU 112 Cb 0.77 -1.31 0.54 0.00 -0.57 0.00 0.00 31.44 30.86 1yup n GLU 112 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1yup h PRO 113 N 3.84 0.00 0.30 3.49 0.13 -1.52 -2.14 132.00 136.10 1yup h PRO 113 Ca 0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 1yup h PRO 113 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1yup h PRO 113 CO 0.43 0.22 -0.15 1.49 -0.23 0.00 0.00 178.00 179.77 1yup h GLU 114 N 0.00 -0.39 0.00 0.86 4.22 -1.95 -3.25 114.58 114.07 1yup h GLU 114 Ca -0.00 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.46 1yup h GLU 114 Cb 0.45 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1yup h GLU 114 CO 0.03 -0.10 0.00 1.04 -2.18 0.00 0.00 179.01 177.80 1yup n GLN 115 N -5.05 0.82 0.00 1.92 1.13 -1.04 -3.23 117.38 111.92 1yup n GLN 115 Ca -0.08 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 54.99 1yup n GLN 115 Cb 0.24 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.09 1yup n GLN 115 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1yup n SER 116 N -1.01 0.77 -4.67 1.08 7.64 -0.83 -4.68 113.62 111.92 1yup n SER 116 Ca 0.20 -0.89 -0.43 0.00 1.01 0.00 0.00 58.87 58.76 1yup n SER 116 Cb 0.10 0.33 -0.02 0.00 -1.01 0.00 0.00 64.21 63.61 1yup n SER 116 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1yup s LEU 117 N -0.77 4.15 -0.02 -3.43 2.96 -1.20 -4.37 118.68 116.00 1yup s LEU 117 Ca 0.01 1.42 0.05 0.00 -0.22 0.00 0.00 54.13 55.40 1yup s LEU 117 Cb 0.01 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 1yup s LEU 117 CO 0.03 -0.59 -0.17 0.00 -1.32 0.00 0.00 176.35 174.30 1yup s ALA 118 N 2.79 1.41 0.31 5.97 0.00 -0.66 -1.74 121.76 129.84 1yup s ALA 118 Ca 0.45 -0.71 0.11 0.00 0.00 0.00 0.00 51.96 51.81 1yup s ALA 118 Cb -0.16 -0.38 -0.06 0.00 0.00 0.00 0.00 23.12 22.52 1yup s ALA 118 CO 0.10 0.33 -0.15 0.00 0.00 0.00 0.00 175.76 176.04 1yup s GLN 120 N -3.57 0.43 -0.26 0.00 -0.21 -0.32 -1.28 119.66 114.47 1yup s GLN 120 Ca 0.31 -0.58 -0.12 0.00 0.02 0.00 0.00 55.36 54.99 1yup s GLN 120 Cb -0.01 0.17 -0.05 0.00 1.00 0.00 0.00 33.01 34.12 1yup s GLN 120 CO 0.15 -0.09 0.23 0.00 -2.12 0.00 0.00 175.29 173.46 1yup s LEU 122 N 1.53 3.79 0.22 0.00 1.43 0.15 -1.16 118.68 124.64 1yup s LEU 122 Ca 0.10 0.18 0.07 0.00 -1.03 0.00 0.00 54.13 53.44 1yup s LEU 122 Cb -0.15 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 1yup s LEU 122 CO 0.08 0.34 -0.10 0.68 0.23 0.00 0.00 176.35 177.58 1yup s VAL 123 N -1.02 1.59 -0.00 -1.59 -7.23 -0.49 -0.73 120.40 110.94 1yup s VAL 123 Ca 0.17 -2.16 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 1yup s VAL 123 Cb -0.12 -2.18 -0.25 0.00 0.56 0.00 0.00 36.38 34.39 1yup s VAL 123 CO 0.07 -0.50 0.83 0.03 -0.31 0.00 0.00 175.10 175.23 1yup h ARG 124 N 2.49 0.15 -6.40 4.82 2.47 -1.30 0.66 114.38 117.27 1yup h ARG 124 Ca -0.38 -0.26 -0.62 0.00 -1.26 0.00 0.00 59.98 57.46 1yup h ARG 124 Cb 1.22 0.10 -0.13 0.00 -1.65 0.00 0.00 29.97 29.50 1yup h ARG 124 CO 0.64 0.95 -0.71 0.95 0.56 0.00 0.00 179.97 182.35 1yup s THR 125 N -2.62 3.20 -1.26 2.04 -4.23 -1.26 -4.64 115.64 106.87 1yup s THR 125 Ca -0.07 -1.72 -0.12 0.00 -1.18 0.00 0.00 61.69 58.60 1yup s THR 125 Cb 0.08 -2.60 -0.06 0.00 1.34 0.00 0.00 72.50 71.25 1yup s THR 125 CO 0.83 -0.15 2.38 -0.81 -0.54 0.00 0.00 174.62 176.33 1yup n PRO 126 N -0.11 2.69 -3.98 3.99 -0.04 -1.26 -4.85 135.00 131.45 1yup n PRO 126 Ca -0.10 -2.05 -0.09 0.00 -0.04 0.00 0.00 63.50 61.22 1yup n PRO 126 Cb 0.56 -2.86 -0.10 0.00 -0.04 0.00 0.00 33.50 31.06 1yup n PRO 126 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1yup s GLU 127 N 3.24 0.51 -0.87 0.54 2.02 -1.26 -4.60 118.70 118.28 1yup s GLU 127 Ca 0.54 -0.81 -0.25 0.00 0.02 0.00 0.00 54.97 54.47 1yup s GLU 127 Cb 0.14 0.19 0.01 0.00 0.10 0.00 0.00 34.13 34.57 1yup s GLU 127 CO -0.03 -0.11 1.62 0.54 0.02 0.00 0.00 175.26 177.30 1yup s VAL 128 N -2.55 3.66 -0.28 2.63 0.11 -1.26 -4.96 120.40 117.76 1yup s VAL 128 Ca -0.06 -0.28 -0.29 0.00 -2.93 0.00 0.00 61.98 58.42 1yup s VAL 128 Cb -0.02 -4.57 -0.01 0.00 -1.53 0.00 0.00 36.38 30.26 1yup s VAL 128 CO -0.05 -1.49 1.40 -0.62 -3.33 0.00 0.00 175.10 171.02 1yup s ASP 129 N 6.06 6.57 0.18 3.54 -1.08 -1.26 -4.89 116.67 125.80 1yup s ASP 129 Ca 0.54 1.32 0.01 0.00 -0.52 0.00 0.00 52.55 53.89 1yup s ASP 129 Cb -0.05 -2.54 0.08 0.00 -1.46 0.00 0.00 42.92 38.95 1yup s ASP 129 CO 0.02 -1.15 1.44 0.44 0.52 0.00 0.00 175.17 176.44 1yup h ASP 130 N 9.80 0.38 0.70 -0.34 3.32 -2.01 -2.66 116.42 125.61 1yup h ASP 130 Ca -0.29 -0.26 -0.10 0.00 0.02 0.00 0.00 57.03 56.41 1yup h ASP 130 Cb 1.12 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1yup h ASP 130 CO 1.03 1.00 -0.46 -0.33 -1.72 0.00 0.00 179.24 178.75 1yup h GLU 131 N 0.21 0.00 -0.29 3.56 4.39 -2.01 -3.06 114.58 117.39 1yup h GLU 131 Ca -0.03 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.49 1yup h GLU 131 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1yup h GLU 131 CO 0.12 0.46 -0.52 0.00 -1.16 0.00 0.00 179.01 177.92 1yup h ALA 132 N 1.54 0.45 -0.34 3.43 0.00 -1.90 -2.90 119.26 119.54 1yup h ALA 132 Ca -0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 1yup h ALA 132 Cb 0.94 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1yup h ALA 132 CO 0.06 0.64 -0.33 0.52 0.00 0.00 0.00 179.25 180.14 1yup h MET 133 N 0.63 0.74 -0.98 0.00 2.86 -1.50 -2.11 114.93 114.56 1yup h MET 133 Ca 0.02 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1yup h MET 133 Cb 1.13 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.73 1yup h MET 133 CO 0.12 0.96 0.62 0.93 1.06 0.00 0.00 176.91 180.60 1yup h GLU 134 N 0.62 1.31 -0.26 1.72 5.08 -1.53 0.90 114.58 122.43 1yup h GLU 134 Ca 0.07 -0.10 -0.20 0.00 -1.00 0.00 0.00 59.36 58.13 1yup h GLU 134 Cb 0.86 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1yup h GLU 134 CO 0.07 0.89 -0.61 0.87 -1.00 0.00 0.00 179.01 179.24 1yup h LYS 135 N 1.34 0.87 -0.42 2.33 1.57 -1.41 -1.92 116.57 118.93 1yup h LYS 135 Ca 0.36 -0.59 0.05 0.00 -1.87 0.00 0.00 60.65 58.60 1yup h LYS 135 Cb -0.11 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 1yup h LYS 135 CO -0.07 1.22 0.15 0.35 -0.57 0.00 0.00 179.45 180.52 1yup h PHE 136 N 0.65 0.26 -0.29 -1.35 3.57 -1.08 -0.66 116.94 118.04 1yup h PHE 136 Ca -0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1yup h PHE 136 Cb 1.22 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 1yup h PHE 136 CO 0.08 0.10 -0.11 0.22 -2.23 0.00 0.00 178.31 176.36 1yup h ASP 137 N 0.31 0.47 0.48 0.41 1.82 -0.59 -0.58 116.42 118.74 1yup h ASP 137 Ca 0.20 -0.12 -0.24 0.00 -0.39 0.00 0.00 57.03 56.48 1yup h ASP 137 Cb 0.19 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.07 1yup h ASP 137 CO -0.20 0.62 -1.06 0.11 -1.61 0.00 0.00 179.24 177.09 1yup h LYS 138 N 0.45 0.33 -0.48 0.28 1.79 -1.13 -0.82 116.57 117.00 1yup h LYS 138 Ca 0.09 -0.43 -0.00 0.00 -2.18 0.00 0.00 60.65 58.12 1yup h LYS 138 Cb 0.47 0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.23 1yup h LYS 138 CO 0.03 1.14 0.30 0.00 -1.08 0.00 0.00 179.45 179.83 1yup h ALA 139 N 0.70 1.61 0.00 3.86 0.00 -0.67 -3.00 119.26 121.75 1yup h ALA 139 Ca -0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1yup h ALA 139 Cb 1.73 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1yup h ALA 139 CO 0.18 0.35 -0.53 -0.07 0.00 0.00 0.00 179.25 179.18 1yup h LEU 140 N 0.66 0.00 -2.52 0.00 4.07 -0.84 -3.37 115.31 113.31 1yup h LEU 140 Ca 0.18 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.15 1yup h LEU 140 Cb -0.03 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.71 1yup h LEU 140 CO -0.03 0.03 0.07 0.50 -1.08 0.00 0.00 178.44 177.93 1yup h LYS 141 N 0.00 0.00 0.00 1.13 1.63 -1.00 -0.00 116.57 118.32 1yup h LYS 141 Ca -0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1yup h LYS 141 Cb 1.03 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.65 1yup h LYS 141 CO 0.00 0.00 -0.20 0.00 -3.45 0.00 0.00 179.45 175.81 1yup n ALA 142 N -2.23 2.77 -2.73 5.00 0.00 -1.26 -5.00 120.51 117.07 1yup n ALA 142 Ca -0.02 -2.85 -0.32 0.00 0.00 0.00 0.00 53.44 50.25 1yup n ALA 142 Cb 0.16 -0.37 -0.08 0.00 0.00 0.00 0.00 19.45 19.16 1yup n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1yup s LEU 143 N -2.95 3.65 -1.51 0.00 1.43 -0.02 -4.49 118.68 114.80 1yup s LEU 143 Ca 0.34 -0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.32 1yup s LEU 143 Cb 0.31 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 1yup s LEU 143 CO -0.01 0.24 2.65 -0.81 0.23 0.00 0.00 176.35 178.65 1yup n PRO 144 N 0.99 3.27 -3.14 1.29 -0.04 -1.26 -4.95 135.00 131.16 1yup n PRO 144 Ca -0.12 -2.28 -0.39 0.00 -0.04 0.00 0.00 63.50 60.67 1yup n PRO 144 Cb 0.52 -2.95 -0.05 0.00 -0.04 0.00 0.00 33.50 30.98 1yup n PRO 144 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1yup s MET 145 N 2.66 4.37 0.00 0.54 -1.94 -1.26 -4.10 119.30 119.57 1yup s MET 145 Ca 0.60 0.83 0.01 0.00 -1.71 0.00 0.00 55.69 55.42 1yup s MET 145 Cb 0.16 -3.35 0.02 0.00 2.01 0.00 0.00 34.83 33.67 1yup s MET 145 CO -0.06 0.33 0.90 0.72 -0.01 0.00 0.00 175.02 176.90 1yup n HIS 146 N 2.81 0.03 -3.67 -0.03 8.25 -0.22 -4.93 115.22 117.47 1yup n HIS 146 Ca -0.05 -0.38 -0.09 0.00 -0.26 0.00 0.00 57.72 56.93 1yup n HIS 146 Cb 0.51 -0.04 -0.10 0.00 1.12 0.00 0.00 29.99 31.48 1yup n HIS 146 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1yup s ILE 147 N -0.78 -0.40 0.01 1.59 2.07 -0.97 -4.72 121.20 118.00 1yup s ILE 147 Ca 0.02 0.14 0.07 0.00 -1.41 0.00 0.00 60.65 59.47 1yup s ILE 147 Cb 0.01 -0.65 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 1yup s ILE 147 CO 0.01 0.06 -0.22 -0.60 -1.91 0.00 0.00 174.94 172.28 1yup s ARG 148 N 2.13 1.69 0.00 3.50 3.52 -1.26 -0.66 118.95 127.87 1yup s ARG 148 Ca -0.05 -0.88 0.01 0.00 -0.13 0.00 0.00 55.73 54.68 1yup s ARG 148 Cb -0.10 -1.71 -0.00 0.00 -1.56 0.00 0.00 34.95 31.57 1yup s ARG 148 CO -0.13 0.46 -0.03 -0.51 -0.81 0.00 0.00 175.30 174.28 1yup s LEU 149 N -0.82 2.04 0.12 -0.88 1.43 0.10 -4.98 118.68 115.70 1yup s LEU 149 Ca 0.09 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 1yup s LEU 149 Cb -0.09 -0.13 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 1yup s LEU 149 CO 0.00 -0.00 -0.09 -0.94 0.23 0.00 0.00 176.35 175.55 1yup s SER 150 N -0.27 1.51 -0.01 2.29 1.04 -1.26 -0.74 113.70 116.26 1yup s SER 150 Ca -0.01 -0.99 0.08 0.00 0.48 0.00 0.00 55.95 55.51 1yup s SER 150 Cb -0.02 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.11 1yup s SER 150 CO -0.00 -0.37 -0.24 -0.36 0.98 0.00 0.00 173.24 173.24 1yup s PHE 151 N -3.35 2.16 0.76 5.02 0.08 -0.59 -5.00 117.98 117.07 1yup s PHE 151 Ca 0.14 -0.41 -0.11 0.00 0.12 0.00 0.00 56.93 56.67 1yup s PHE 151 Cb 0.03 -1.38 0.05 0.00 -0.57 0.00 0.00 43.02 41.15 1yup s PHE 151 CO -0.02 -0.01 1.09 0.54 -0.10 0.00 0.00 175.22 176.72 1yup s ASN 152 N -0.67 4.88 0.54 1.36 2.20 -1.26 -4.81 114.94 117.18 1yup s ASN 152 Ca 0.09 1.28 0.24 0.00 -0.94 0.00 0.00 52.86 53.54 1yup s ASN 152 Cb -0.09 -2.05 1.41 0.00 -2.00 0.00 0.00 41.25 38.52 1yup s ASN 152 CO -0.00 -1.72 2.03 -0.65 -2.94 0.00 0.00 177.10 173.81 1yup h PRO 153 N -0.91 0.00 -0.18 3.55 0.11 -1.94 -1.22 132.00 131.40 1yup h PRO 153 Ca -0.46 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.49 1yup h PRO 153 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1yup h PRO 153 CO 0.60 0.00 -0.49 1.15 -0.21 0.00 0.00 178.00 179.05 1yup h THR 154 N 0.00 1.32 -0.79 -1.15 2.02 -1.92 -2.27 112.91 110.12 1yup h THR 154 Ca 0.19 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1yup h THR 154 Cb 0.80 1.93 -0.04 0.00 -1.74 0.00 0.00 68.15 69.10 1yup h THR 154 CO -0.00 0.54 0.51 1.56 0.37 0.00 0.00 175.52 178.50 1yup h GLN 155 N 0.34 1.06 -0.50 6.66 4.20 -1.74 -1.97 115.11 123.16 1yup h GLN 155 Ca -0.01 -0.07 0.09 0.00 0.06 0.00 0.00 58.65 58.72 1yup h GLN 155 Cb 1.11 -0.23 -0.07 0.00 0.30 0.00 0.00 27.48 28.58 1yup h GLN 155 CO 0.11 0.71 0.07 -0.07 -0.67 0.00 0.00 178.83 178.99 1yup h LEU 156 N 1.08 -0.06 -1.23 1.46 3.38 -1.16 -2.25 115.31 116.53 1yup h LEU 156 Ca 0.29 0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.29 1yup h LEU 156 Cb -0.10 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1yup h LEU 156 CO -0.06 -0.00 -0.32 -0.33 0.09 0.00 0.00 178.44 177.81 1yup h GLU 157 N 0.20 0.00 -2.01 1.13 5.08 -1.00 -3.25 114.58 114.73 1yup h GLU 157 Ca 0.25 0.00 -0.77 0.00 -1.00 0.00 0.00 59.36 57.84 1yup h GLU 157 Cb 0.36 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.33 1yup h GLU 157 CO -0.35 0.32 1.03 0.39 -1.00 0.00 0.00 179.01 179.40 1yup n GLU 158 N -3.72 3.02 -0.04 2.33 -0.58 -0.78 -4.99 120.64 115.88 1yup n GLU 158 Ca -0.01 -3.65 0.00 0.00 -0.42 0.00 0.00 57.16 53.08 1yup n GLU 158 Cb 0.42 -2.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.01 1yup n GLU 158 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1yup n GLN 159 N -0.49 0.00 0.00 3.49 10.64 -1.23 -2.30 117.38 127.49 1yup n GLN 159 Ca 0.53 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.70 1yup n GLN 159 Cb 0.24 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.62 1yup n GLN 159 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1yup s ARG 161 N 0.00 4.79 0.00 0.00 1.70 -0.97 -4.90 118.95 119.56 1yup s ARG 161 Ca 0.00 1.53 0.25 0.00 -0.47 0.00 0.00 55.73 57.04 1yup s ARG 161 Cb 0.00 -3.29 0.32 0.00 -0.57 0.00 0.00 34.95 31.42 1yup s ARG 161 CO 0.00 0.40 1.34 0.28 -1.08 0.00 0.00 175.30 176.24