#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yup s THR 4 N 0.00 -0.60 0.67 1.55 -4.23 -1.26 -4.59 115.64 107.18 1yup s THR 4 Ca 0.00 -0.05 -0.16 0.00 -1.18 0.00 0.00 61.69 60.30 1yup s THR 4 Cb 0.00 -0.80 0.01 0.00 1.34 0.00 0.00 72.50 73.05 1yup s THR 4 CO 0.00 -0.11 1.19 0.00 -0.54 0.00 0.00 174.62 175.16 1yup s GLN 5 N 2.55 2.55 0.39 3.99 0.00 -1.26 -5.07 119.66 122.80 1yup s GLN 5 Ca 0.12 1.70 0.08 0.00 -0.00 0.00 0.00 55.36 57.26 1yup s GLN 5 Cb -0.15 -1.89 -0.05 0.00 0.00 0.00 0.00 33.01 30.91 1yup s GLN 5 CO -0.15 -1.51 0.12 0.95 0.00 0.00 0.00 175.29 174.69 1yup s THR 6 N -1.93 2.44 -0.19 3.63 -4.23 -1.26 -4.67 115.64 109.43 1yup s THR 6 Ca 0.74 -1.80 -0.29 0.00 -1.18 0.00 0.00 61.69 59.16 1yup s THR 6 Cb -0.28 -2.94 -0.03 0.00 1.34 0.00 0.00 72.50 70.59 1yup s THR 6 CO 0.40 -0.07 1.53 -0.32 -0.54 0.00 0.00 174.62 175.62 1yup s MET 7 N -3.83 3.96 0.05 3.99 1.75 -0.80 -4.85 119.30 119.57 1yup s MET 7 Ca 0.38 1.71 -0.31 0.00 -1.25 0.00 0.00 55.69 56.23 1yup s MET 7 Cb 0.03 -3.96 -0.06 0.00 2.84 0.00 0.00 34.83 33.67 1yup s MET 7 CO 0.21 -1.09 1.38 0.15 -0.65 0.00 0.00 175.02 175.02 1yup s LYS 8 N 4.30 4.31 -1.28 4.11 -0.14 -1.26 -3.59 119.74 126.19 1yup s LYS 8 Ca 0.67 1.99 -0.13 0.00 -1.36 0.00 0.00 55.97 57.14 1yup s LYS 8 Cb -0.25 -3.42 0.00 0.00 -1.68 0.00 0.00 37.83 32.48 1yup s LYS 8 CO 0.26 -0.49 0.58 -0.25 -0.76 0.00 0.00 175.35 174.69 1yup n ASP 9 N 4.65 -2.73 -4.76 2.83 8.00 -1.26 -4.90 116.55 118.38 1yup n ASP 9 Ca 0.12 -1.07 -0.41 0.00 0.71 0.00 0.00 54.79 54.14 1yup n ASP 9 Cb 0.43 -2.89 -0.01 0.00 -0.02 0.00 0.00 41.12 38.63 1yup n ASP 9 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1yup s LEU 10 N -6.88 4.35 -0.40 0.64 2.96 -1.24 -5.01 118.68 113.11 1yup s LEU 10 Ca 0.26 2.91 -0.05 0.00 -0.22 0.00 0.00 54.13 57.02 1yup s LEU 10 Cb -0.11 -3.65 0.09 0.00 0.50 0.00 0.00 46.19 43.03 1yup s LEU 10 CO 0.90 -0.83 0.20 -0.62 -1.32 0.00 0.00 176.35 174.68 1yup s ASP 11 N 0.16 5.36 0.51 3.68 -1.08 -1.26 -4.87 116.67 119.17 1yup s ASP 11 Ca 0.58 -1.70 0.30 0.00 -0.52 0.00 0.00 52.55 51.21 1yup s ASP 11 Cb -0.46 -1.88 1.06 0.00 -1.46 0.00 0.00 42.92 40.19 1yup s ASP 11 CO 0.53 -0.50 1.87 0.58 0.52 0.00 0.00 175.17 178.17 1yup h VAL 12 N 6.26 0.00 -0.01 1.11 2.07 -1.93 -1.98 116.25 121.77 1yup h VAL 12 Ca -0.18 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1yup h VAL 12 Cb 1.06 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1yup h VAL 12 CO 0.70 0.00 -0.08 1.56 0.02 0.00 0.00 177.57 179.77 1yup h GLN 13 N 0.00 0.01 0.00 1.57 1.08 -1.93 -2.72 115.11 113.12 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 0.65 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 1yup h GLN 13 CO 0.00 0.09 0.00 1.63 -0.95 0.00 0.00 178.83 179.60 1yup n LYS 14 N -4.44 0.21 0.00 1.46 5.02 -0.74 -3.28 118.16 116.39 1yup n LYS 14 Ca -0.03 0.22 0.14 0.00 -2.02 0.00 0.00 58.31 56.62 1yup n LYS 14 Cb 0.16 -1.77 0.57 0.00 -0.02 0.00 0.00 35.03 33.97 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 -2.15 0.00 -1.68 -0.18 0.24 -1.02 -4.85 118.33 108.69 1yup n VAL 15 Ca 0.05 -0.11 -0.44 0.00 -2.04 0.00 0.00 64.34 61.81 1yup n VAL 15 Cb 0.38 0.10 -0.02 0.00 -1.47 0.00 0.00 33.84 32.84 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 -0.66 1.07 0.00 2.33 0.00 -1.20 -4.59 120.51 117.45 1yup n ALA 16 Ca 0.16 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1yup n ALA 16 Cb 0.29 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 1.38 0.37 3.78 0.00 0.00 -0.40 -4.94 105.19 105.38 1yup n GLY 17 Ca 0.08 -1.97 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.84 5.07 0.19 2.61 2.01 -1.26 -1.64 115.64 121.78 1yup s THR 18 Ca 0.00 0.92 0.01 0.00 0.31 0.00 0.00 61.69 62.93 1yup s THR 18 Cb 0.00 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 1yup s THR 18 CO 0.00 0.47 0.03 0.26 -0.69 0.00 0.00 174.62 174.69 1yup s TRP 19 N -0.34 1.24 -0.01 4.92 0.52 -0.89 -4.58 118.94 119.80 1yup s TRP 19 Ca 0.25 -1.08 0.02 0.00 0.02 0.00 0.00 56.10 55.31 1yup s TRP 19 Cb -0.16 -0.71 -0.00 0.00 -1.15 0.00 0.00 33.47 31.45 1yup s TRP 19 CO 0.12 -0.27 -0.07 0.71 0.02 0.00 0.00 176.95 177.45 1yup s TYR 20 N -3.72 0.70 -0.43 -1.98 1.51 -0.13 -3.99 117.35 109.31 1yup s TYR 20 Ca 0.27 -0.14 -0.28 0.00 -1.01 0.00 0.00 57.07 55.91 1yup s TYR 20 Cb 0.07 -0.47 0.03 0.00 -0.11 0.00 0.00 41.96 41.47 1yup s TYR 20 CO 0.06 -0.03 1.09 -1.12 -1.11 0.00 0.00 175.55 174.43 1yup s SER 21 N -0.08 6.70 -0.12 2.29 0.01 -1.26 -1.58 113.70 119.68 1yup s SER 21 Ca 0.01 0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1yup s SER 21 Cb -0.04 -2.53 -0.25 0.00 0.21 0.00 0.00 66.02 63.41 1yup s SER 21 CO -0.00 -1.11 0.38 -0.11 0.41 0.00 0.00 173.24 172.81 1yup n LEU 22 N 7.45 2.11 -4.06 2.44 0.00 -0.18 -4.80 117.00 119.95 1yup n LEU 22 Ca 0.11 0.22 -0.07 0.00 0.00 0.00 0.00 56.01 56.27 1yup n LEU 22 Cb 0.48 -0.71 -0.10 0.00 0.00 0.00 0.00 43.42 43.10 1yup n LEU 22 CO 0.67 0.73 -0.35 0.00 0.00 0.00 0.00 177.39 178.44 1yup s ALA 23 N -2.56 0.42 0.06 1.96 0.00 -1.15 -1.30 121.76 119.19 1yup s ALA 23 Ca -0.18 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 50.64 1yup s ALA 23 Cb 0.07 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 1yup s ALA 23 CO 0.77 -0.35 0.05 -1.64 0.00 0.00 0.00 175.76 174.59 1yup s MET 24 N -3.59 0.67 -0.12 0.00 1.00 0.11 -2.48 119.30 114.90 1yup s MET 24 Ca 0.04 -1.09 -0.19 0.00 0.00 0.00 0.00 55.69 54.45 1yup s MET 24 Cb 0.05 0.25 0.05 0.00 0.00 0.00 0.00 34.83 35.18 1yup s MET 24 CO -0.09 -0.16 0.48 0.00 0.00 0.00 0.00 175.02 175.25 1yup s ALA 25 N -3.76 -1.20 0.09 3.03 0.00 -0.65 -0.49 121.76 118.79 1yup s ALA 25 Ca 0.05 1.12 0.01 0.00 0.00 0.00 0.00 51.96 53.14 1yup s ALA 25 Cb 0.06 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1yup s ALA 25 CO -0.10 -0.26 -0.05 0.00 0.00 0.00 0.00 175.76 175.35 1yup s ALA 26 N -0.37 0.87 -0.36 0.00 0.00 -0.07 -0.68 121.76 121.16 1yup s ALA 26 Ca -0.05 -1.33 0.25 0.00 0.00 0.00 0.00 51.96 50.82 1yup s ALA 26 Cb -0.03 0.23 0.49 0.00 0.00 0.00 0.00 23.12 23.82 1yup s ALA 26 CO 0.03 -0.28 1.67 0.66 0.00 0.00 0.00 175.76 177.83 1yup h SER 27 N 3.00 0.00 -3.30 0.00 4.64 -1.54 -1.09 113.55 115.26 1yup h SER 27 Ca -0.35 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.35 1yup h SER 27 Cb 1.16 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.91 1yup h SER 27 CO 0.65 0.00 -0.85 -0.62 -0.87 0.00 0.00 176.83 175.14 1yup s ASP 28 N -6.12 2.67 0.18 4.97 -1.08 -1.26 -3.89 116.67 112.13 1yup s ASP 28 Ca 0.06 -0.48 -0.12 0.00 -0.52 0.00 0.00 52.55 51.49 1yup s ASP 28 Cb 0.06 -1.22 0.08 0.00 -1.46 0.00 0.00 42.92 40.38 1yup s ASP 28 CO 0.65 0.07 1.75 0.40 0.52 0.00 0.00 175.17 178.56 1yup h ILE 29 N 5.86 1.22 -0.62 4.11 2.04 -1.84 -1.96 117.51 126.32 1yup h ILE 29 Ca -0.28 -0.66 0.25 0.00 1.00 0.00 0.00 64.86 65.17 1yup h ILE 29 Cb 1.20 0.53 -0.11 0.00 -0.74 0.00 0.00 36.82 37.70 1yup h ILE 29 CO 0.50 0.26 0.30 -1.54 0.00 0.00 0.00 178.15 177.67 1yup n SER 30 N -4.48 0.19 0.05 1.72 3.41 -1.26 -0.14 113.62 113.10 1yup n SER 30 Ca 0.04 1.04 0.12 0.00 -0.26 0.00 0.00 58.87 59.81 1yup n SER 30 Cb 0.15 -0.49 0.20 0.00 -0.26 0.00 0.00 64.21 63.81 1yup n SER 30 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1yup n LEU 31 N -4.46 0.64 0.00 1.04 4.77 -0.73 -3.87 117.00 114.38 1yup n LEU 31 Ca 0.23 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1yup n LEU 31 Cb 0.77 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1yup n LEU 31 CO 0.00 -0.02 0.14 0.18 -1.33 0.00 0.00 177.39 176.36 1yup n LEU 32 N -1.98 0.55 -4.56 2.23 4.32 -0.83 -3.51 117.00 113.22 1yup n LEU 32 Ca 0.04 -0.67 -0.41 0.00 -0.02 0.00 0.00 56.01 54.95 1yup n LEU 32 Cb 0.42 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.19 1yup n LEU 32 CO 0.36 0.14 1.23 -0.62 -1.22 0.00 0.00 177.39 177.28 1yup s ASP 33 N -0.24 6.08 0.00 -1.43 2.15 0.80 -4.75 116.67 119.29 1yup s ASP 33 Ca 0.00 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 52.88 1yup s ASP 33 Cb 0.00 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 1yup s ASP 33 CO 0.00 -1.83 0.00 0.00 -0.17 0.00 0.00 175.17 173.17 1yup n ALA 34 N 9.71 0.00 0.26 3.66 0.00 -1.26 -4.16 120.51 128.72 1yup n ALA 34 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.65 1yup n ALA 34 Cb 0.49 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.60 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 0.00 0.00 0.00 1.08 -1.96 -2.47 115.11 111.76 1yup h GLN 35 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1yup h GLN 35 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1yup h GLN 35 CO 0.00 0.13 -0.21 -1.13 -0.95 0.00 0.00 178.83 176.67 1yup n SER 36 N -3.40 0.46 -4.67 1.46 3.41 -1.26 -4.33 113.62 105.28 1yup n SER 36 Ca -0.01 0.31 -0.44 0.00 -0.26 0.00 0.00 58.87 58.47 1yup n SER 36 Cb 0.31 -0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 1yup n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yup n ALA 37 N -1.64 1.04 -1.90 7.33 0.00 -0.93 -4.91 120.51 119.50 1yup n ALA 37 Ca 0.06 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.48 1yup n ALA 37 Cb 0.38 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 1yup n ALA 37 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1yup s PRO 38 N -0.92 4.43 0.00 0.00 0.04 -1.25 -2.07 135.00 135.24 1yup s PRO 38 Ca 0.64 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.72 1yup s PRO 38 Cb -0.63 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1yup s PRO 38 CO 0.54 -0.13 0.00 1.28 0.04 0.00 0.00 177.00 178.73 1yup n LEU 39 N 1.83 0.00 -4.56 -3.56 4.77 -1.26 -4.43 117.00 109.79 1yup n LEU 39 Ca 0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 1yup n LEU 39 Cb 0.43 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1yup n LEU 39 CO 0.57 0.00 1.60 -0.60 -1.33 0.00 0.00 177.39 177.64 1yup s ARG 40 N -0.41 3.70 -0.00 3.23 6.06 -0.88 -4.91 118.95 125.74 1yup s ARG 40 Ca 0.00 -1.38 0.04 0.00 -2.50 0.00 0.00 55.73 51.89 1yup s ARG 40 Cb 0.00 -5.40 -0.01 0.00 0.06 0.00 0.00 34.95 29.60 1yup s ARG 40 CO 0.00 -2.21 -0.12 0.14 -2.50 0.00 0.00 175.30 170.61 1yup s VAL 41 N 4.71 0.91 -0.26 7.11 -7.23 -1.26 -4.59 120.40 119.79 1yup s VAL 41 Ca 0.48 -0.54 -0.00 0.00 -1.81 0.00 0.00 61.98 60.11 1yup s VAL 41 Cb 0.01 -0.77 0.04 0.00 0.56 0.00 0.00 36.38 36.22 1yup s VAL 41 CO -0.05 0.23 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.58 1yup s TYR 42 N -0.33 3.16 0.44 2.82 2.02 -0.57 -4.95 117.35 119.94 1yup s TYR 42 Ca 0.04 -1.89 -0.24 0.00 -0.37 0.00 0.00 57.07 54.61 1yup s TYR 42 Cb -0.05 -2.02 -0.08 0.00 -0.40 0.00 0.00 41.96 39.42 1yup s TYR 42 CO -0.00 -0.80 1.18 0.08 -1.57 0.00 0.00 175.55 174.43 1yup s VAL 43 N 1.23 3.05 -0.12 0.71 1.01 -1.26 -0.82 120.40 124.20 1yup s VAL 43 Ca -0.04 0.83 0.02 0.00 0.00 0.00 0.00 61.98 62.79 1yup s VAL 43 Cb -0.18 -3.44 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 1yup s VAL 43 CO -0.04 0.02 -0.09 -0.62 0.00 0.00 0.00 175.10 174.37 1yup n GLU 44 N -0.30 0.56 -3.64 2.72 1.02 -0.21 -4.10 120.64 116.69 1yup n GLU 44 Ca 0.06 0.06 -0.09 0.00 -0.02 0.00 0.00 57.16 57.17 1yup n GLU 44 Cb 0.47 -1.24 -0.07 0.00 -0.02 0.00 0.00 31.44 30.58 1yup n GLU 44 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1yup s GLU 45 N -2.24 0.56 -0.24 3.49 2.12 -1.13 -2.11 118.70 119.15 1yup s GLU 45 Ca -0.15 0.70 -0.05 0.00 0.36 0.00 0.00 54.97 55.83 1yup s GLU 45 Cb 0.04 0.26 -0.01 0.00 0.26 0.00 0.00 34.13 34.68 1yup s GLU 45 CO 0.29 -0.07 0.01 -0.51 -0.54 0.00 0.00 175.26 174.44 1yup s LEU 46 N 0.40 3.21 -0.59 2.70 1.02 -0.65 -1.05 118.68 123.72 1yup s LEU 46 Ca 0.01 -0.39 0.04 0.00 0.02 0.00 0.00 54.13 53.82 1yup s LEU 46 Cb -0.05 -1.82 0.15 0.00 0.02 0.00 0.00 46.19 44.49 1yup s LEU 46 CO -0.06 -0.05 0.35 -0.54 0.02 0.00 0.00 176.35 176.07 1yup s LYS 47 N 1.52 2.17 0.63 1.70 1.02 0.27 -1.28 119.74 125.78 1yup s LYS 47 Ca 0.05 -2.90 -0.18 0.00 0.02 0.00 0.00 55.97 52.96 1yup s LYS 47 Cb -0.15 -3.37 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 1yup s LYS 47 CO -0.00 -1.18 1.26 -1.25 -0.92 0.00 0.00 175.35 173.26 1yup s PRO 48 N -0.73 2.71 0.15 -1.68 0.04 -1.26 -2.20 135.00 132.02 1yup s PRO 48 Ca 0.20 1.95 0.04 0.00 0.04 0.00 0.00 61.00 63.24 1yup s PRO 48 Cb -0.18 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1yup s PRO 48 CO -0.06 -1.44 0.16 0.95 0.04 0.00 0.00 177.00 176.65 1yup s THR 49 N -1.50 4.68 0.47 1.26 -4.23 -0.62 -4.89 115.64 110.81 1yup s THR 49 Ca 0.80 -0.96 0.20 0.00 -1.18 0.00 0.00 61.69 60.55 1yup s THR 49 Cb -0.34 -3.38 0.37 0.00 1.34 0.00 0.00 72.50 70.49 1yup s THR 49 CO 0.37 -0.08 1.96 -0.65 -0.54 0.00 0.00 174.62 175.68 1yup h PRO 50 N 2.46 0.23 -0.82 3.99 0.11 -1.97 -2.03 132.00 133.96 1yup h PRO 50 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1yup h PRO 50 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1yup h PRO 50 CO 0.65 0.15 0.00 0.41 -0.21 0.00 0.00 178.00 179.00 1yup n GLY 51 N -1.57 1.84 1.40 -0.55 0.00 -1.26 -4.89 105.19 100.16 1yup n GLY 51 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.25 0.75 3.88 -0.02 0.00 -0.76 -4.88 105.19 104.41 1yup n GLY 52 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1yup n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yup s ASP 53 N -2.59 4.93 -0.27 1.61 1.01 -1.26 -4.29 116.67 115.81 1yup s ASP 53 Ca 0.00 1.00 -0.03 0.00 0.71 0.00 0.00 52.55 54.23 1yup s ASP 53 Cb 0.00 -1.67 0.09 0.00 1.01 0.00 0.00 42.92 42.35 1yup s ASP 53 CO 0.00 -1.66 0.10 -0.22 0.21 0.00 0.00 175.17 173.60 1yup s LEU 54 N -5.51 1.15 0.14 1.23 2.96 0.25 -1.59 118.68 117.32 1yup s LEU 54 Ca 0.60 -1.26 -0.30 0.00 -0.22 0.00 0.00 54.13 52.95 1yup s LEU 54 Cb -0.11 -0.54 -0.07 0.00 0.50 0.00 0.00 46.19 45.97 1yup s LEU 54 CO 0.51 -0.40 1.13 -0.70 -1.32 0.00 0.00 176.35 175.57 1yup s GLU 55 N 1.92 4.54 -0.13 1.98 2.12 -0.94 -1.07 118.70 127.12 1yup s GLU 55 Ca 0.07 1.74 0.03 0.00 0.36 0.00 0.00 54.97 57.17 1yup s GLU 55 Cb -0.17 -3.29 0.01 0.00 0.26 0.00 0.00 34.13 30.94 1yup s GLU 55 CO -0.26 -0.04 -0.22 -1.50 -0.54 0.00 0.00 175.26 172.70 1yup s ILE 56 N 0.15 2.04 -0.11 -3.70 1.10 0.12 -0.56 121.20 120.23 1yup s ILE 56 Ca 0.52 -0.98 -0.06 0.00 -0.51 0.00 0.00 60.65 59.62 1yup s ILE 56 Cb -0.30 -1.79 -0.04 0.00 0.15 0.00 0.00 42.46 40.49 1yup s ILE 56 CO 0.34 0.55 0.13 -0.76 -2.11 0.00 0.00 174.94 173.08 1yup s LEU 57 N 0.67 4.29 0.30 8.50 1.43 -0.21 -1.41 118.68 132.25 1yup s LEU 57 Ca -0.11 0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 53.22 1yup s LEU 57 Cb -0.16 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.00 1yup s LEU 57 CO 0.02 0.39 0.71 -1.48 0.23 0.00 0.00 176.35 176.21 1yup s LEU 58 N -1.09 -0.12 0.06 1.79 0.05 -1.04 -1.04 118.68 117.29 1yup s LEU 58 Ca 0.16 -0.77 0.04 0.00 0.05 0.00 0.00 54.13 53.61 1yup s LEU 58 Cb -0.12 2.63 -0.03 0.00 -2.05 0.00 0.00 46.19 46.63 1yup s LEU 58 CO 0.05 -1.40 -0.13 -1.10 -0.55 0.00 0.00 176.35 173.22 1yup s GLN 59 N -3.59 0.78 -0.05 1.48 -0.21 -0.00 -1.21 119.66 116.87 1yup s GLN 59 Ca 0.13 -0.86 0.02 0.00 0.02 0.00 0.00 55.36 54.67 1yup s GLN 59 Cb -0.05 -0.75 0.02 0.00 1.00 0.00 0.00 33.01 33.22 1yup s GLN 59 CO 0.08 0.17 -0.08 0.21 -2.12 0.00 0.00 175.29 173.55 1yup s LYS 60 N -1.54 1.16 -0.04 2.91 2.20 -0.68 -1.51 119.74 122.24 1yup s LYS 60 Ca -0.02 -0.24 -0.30 0.00 -0.36 0.00 0.00 55.97 55.04 1yup s LYS 60 Cb -0.09 -1.04 -0.04 0.00 -1.51 0.00 0.00 37.83 35.14 1yup s LYS 60 CO 0.02 -0.01 1.33 -0.46 -0.36 0.00 0.00 175.35 175.87 1yup s TRP 61 N 0.71 2.93 0.12 4.03 -0.11 -1.26 -0.53 118.94 124.83 1yup s TRP 61 Ca -0.12 0.94 0.00 0.00 1.22 0.00 0.00 56.10 58.15 1yup s TRP 61 Cb -0.14 -3.58 0.00 0.00 -1.50 0.00 0.00 33.47 28.25 1yup s TRP 61 CO 0.02 -2.05 0.00 0.39 -4.62 0.00 0.00 176.95 170.69 1yup n GLU 62 N 5.52 0.00 0.00 5.86 1.02 -0.84 -4.59 120.64 127.60 1yup n GLU 62 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1yup n GLU 62 Cb 0.45 -0.39 0.00 0.00 -0.02 0.00 0.00 31.44 31.47 1yup n GLU 62 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1yup n ASN 63 N -3.42 0.00 -0.22 1.62 3.02 -1.26 -4.86 115.26 110.13 1yup n ASN 63 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.63 1yup n ASN 63 Cb 0.05 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.35 1yup n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yup n GLY 64 N 3.70 4.25 3.16 7.41 0.00 -1.26 -5.08 105.19 117.37 1yup n GLY 64 Ca 0.00 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 1yup n GLY 64 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yup s LYS 65 N -2.39 1.19 0.01 1.61 2.20 -1.26 -5.10 119.74 116.00 1yup s LYS 65 Ca 0.27 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 54.88 1yup s LYS 65 Cb 0.22 -1.20 -0.06 0.00 -1.51 0.00 0.00 37.83 35.29 1yup s LYS 65 CO 0.04 0.31 1.44 0.00 -0.36 0.00 0.00 175.35 176.79 1yup s ALA 67 N 2.46 2.66 0.32 0.00 0.00 0.31 -4.92 121.76 122.59 1yup s ALA 67 Ca 0.65 -0.95 -0.28 0.00 0.00 0.00 0.00 51.96 51.39 1yup s ALA 67 Cb -0.33 -1.31 -0.09 0.00 0.00 0.00 0.00 23.12 21.39 1yup s ALA 67 CO 0.27 0.11 1.12 -0.65 0.00 0.00 0.00 175.76 176.61 1yup s GLN 68 N 0.58 4.45 0.05 0.00 1.11 -1.26 -1.69 119.66 122.90 1yup s GLN 68 Ca -0.07 1.80 0.04 0.00 0.01 0.00 0.00 55.36 57.14 1yup s GLN 68 Cb -0.15 -3.00 -0.02 0.00 -1.01 0.00 0.00 33.01 28.82 1yup s GLN 68 CO 0.03 0.04 -0.11 0.15 0.01 0.00 0.00 175.29 175.41 1yup s LYS 69 N -1.77 0.72 -0.09 2.91 -0.14 -0.35 -4.96 119.74 116.07 1yup s LYS 69 Ca 0.49 -0.79 0.02 0.00 -1.36 0.00 0.00 55.97 54.33 1yup s LYS 69 Cb -0.31 -0.64 -0.02 0.00 -1.68 0.00 0.00 37.83 35.18 1yup s LYS 69 CO 0.40 0.14 -0.14 0.21 -0.76 0.00 0.00 175.35 175.20 1yup s LYS 70 N -1.43 2.90 -0.18 1.68 2.20 -1.26 -2.50 119.74 121.15 1yup s LYS 70 Ca -0.04 -0.69 -0.05 0.00 -0.36 0.00 0.00 55.97 54.83 1yup s LYS 70 Cb -0.09 -2.49 0.06 0.00 -1.51 0.00 0.00 37.83 33.81 1yup s LYS 70 CO 0.01 0.44 0.10 0.42 -0.36 0.00 0.00 175.35 175.96 1yup s ILE 71 N -0.24 -0.10 -0.15 5.43 1.01 -0.50 -5.00 121.20 121.65 1yup s ILE 71 Ca 0.01 -0.19 -0.24 0.00 0.00 0.00 0.00 60.65 60.23 1yup s ILE 71 Cb -0.13 -0.60 -0.02 0.00 0.01 0.00 0.00 42.46 41.72 1yup s ILE 71 CO 0.03 -0.30 0.77 -0.63 0.00 0.00 0.00 174.94 174.80 1yup s ILE 72 N 2.14 4.94 -0.33 2.92 1.09 -1.26 0.10 121.20 130.81 1yup s ILE 72 Ca 0.03 1.52 -0.05 0.00 -1.10 0.00 0.00 60.65 61.04 1yup s ILE 72 Cb -0.16 -4.08 0.04 0.00 -1.06 0.00 0.00 42.46 37.20 1yup s ILE 72 CO -0.11 0.09 0.07 0.00 -0.10 0.00 0.00 174.94 174.89 1yup s ALA 73 N 1.81 2.97 0.13 9.38 0.00 -0.23 -4.62 121.76 131.20 1yup s ALA 73 Ca 0.37 -1.75 -0.20 0.00 0.00 0.00 0.00 51.96 50.38 1yup s ALA 73 Cb -0.17 -2.16 -0.07 0.00 0.00 0.00 0.00 23.12 20.72 1yup s ALA 73 CO 0.13 -1.32 0.64 -1.21 0.00 0.00 0.00 175.76 174.01 1yup s GLU 74 N 1.36 4.26 0.75 0.00 2.02 -0.40 -0.58 118.70 126.10 1yup s GLU 74 Ca -0.03 0.82 -0.14 0.00 0.02 0.00 0.00 54.97 55.64 1yup s GLU 74 Cb -0.20 -3.13 0.05 0.00 0.10 0.00 0.00 34.13 30.96 1yup s GLU 74 CO 0.02 0.55 1.16 -1.59 0.02 0.00 0.00 175.26 175.42 1yup s LYS 75 N -1.42 2.12 0.14 1.61 -2.85 -1.26 -0.90 119.74 117.18 1yup s LYS 75 Ca 0.34 1.58 0.01 0.00 -1.00 0.00 0.00 55.97 56.90 1yup s LYS 75 Cb -0.19 -1.85 -0.00 0.00 -2.06 0.00 0.00 37.83 33.73 1yup s LYS 75 CO 0.21 -1.81 0.03 0.25 0.10 0.00 0.00 175.35 174.12 1yup n THR 76 N -2.99 0.00 0.21 3.79 -2.24 -1.23 -4.75 114.28 107.07 1yup n THR 76 Ca 0.12 -0.75 0.05 0.00 -2.27 0.00 0.00 64.05 61.19 1yup n THR 76 Cb 0.51 0.22 0.21 0.00 -2.10 0.00 0.00 70.33 69.17 1yup n THR 76 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1yup n GLU 77 N -0.33 0.03 -4.16 -0.78 0.00 -1.26 -4.49 120.64 109.65 1yup n GLU 77 Ca -0.04 0.43 -0.34 0.00 0.00 0.00 0.00 57.16 57.21 1yup n GLU 77 Cb 0.20 -1.58 -0.10 0.00 0.00 0.00 0.00 31.44 29.95 1yup n GLU 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1yup s ILE 78 N -3.09 4.50 0.24 3.84 1.01 -1.26 -5.03 121.20 121.41 1yup s ILE 78 Ca 0.02 -0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 1yup s ILE 78 Cb 0.05 -2.99 0.22 0.00 0.01 0.00 0.00 42.46 39.74 1yup s ILE 78 CO 0.14 0.50 1.90 -0.65 0.00 0.00 0.00 174.94 176.83 1yup h PRO 79 N 6.42 1.23 -0.02 2.79 0.11 -1.91 -2.97 132.00 137.65 1yup h PRO 79 Ca -0.38 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1yup h PRO 79 Cb 1.18 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1yup h PRO 79 CO 0.66 0.84 -0.13 0.00 -0.21 0.00 0.00 178.00 179.16 1yup n ALA 80 N -2.37 2.79 -2.83 -0.75 0.00 -1.26 -4.80 120.51 111.29 1yup n ALA 80 Ca 0.10 -0.56 -0.34 0.00 0.00 0.00 0.00 53.44 52.64 1yup n ALA 80 Cb 0.03 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.41 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 -2.17 4.61 0.20 0.00 1.01 -1.12 -0.42 120.40 122.51 1yup s VAL 81 Ca 0.29 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.25 1yup s VAL 81 Cb 0.20 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 1yup s VAL 81 CO 0.40 0.49 -0.16 -0.36 0.00 0.00 0.00 175.10 175.47 1yup s PHE 82 N 0.17 1.77 -0.15 5.22 0.40 0.57 -3.52 117.98 122.44 1yup s PHE 82 Ca 0.03 -0.53 -0.04 0.00 -0.60 0.00 0.00 56.93 55.79 1yup s PHE 82 Cb -0.13 -0.83 -0.03 0.00 0.51 0.00 0.00 43.02 42.54 1yup s PHE 82 CO 0.01 0.37 -0.01 0.15 0.70 0.00 0.00 175.22 176.45 1yup s LYS 83 N -3.39 3.61 0.28 0.44 1.02 -0.08 -1.52 119.74 120.09 1yup s LYS 83 Ca 0.21 -0.45 0.06 0.00 0.02 0.00 0.00 55.97 55.80 1yup s LYS 83 Cb -0.02 -2.96 -0.06 0.00 -0.52 0.00 0.00 37.83 34.26 1yup s LYS 83 CO 0.07 0.34 -0.03 0.96 -0.92 0.00 0.00 175.35 175.78 1yup s ILE 84 N 0.11 1.46 -0.46 2.17 -4.36 -0.44 -1.28 121.20 118.40 1yup s ILE 84 Ca 0.01 -2.09 0.04 0.00 -0.26 0.00 0.00 60.65 58.36 1yup s ILE 84 Cb -0.13 -2.48 0.17 0.00 1.25 0.00 0.00 42.46 41.27 1yup s ILE 84 CO 0.02 -0.26 0.37 -0.67 0.24 0.00 0.00 174.94 174.64 1yup n ASP 85 N -0.57 0.09 -3.56 4.36 2.03 -1.25 -3.89 116.55 113.76 1yup n ASP 85 Ca -0.05 -2.52 -0.13 0.00 0.52 0.00 0.00 54.79 52.61 1yup n ASP 85 Cb 0.64 -0.59 -0.06 0.00 -0.72 0.00 0.00 41.12 40.40 1yup n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yup s ALA 86 N -0.23 -1.88 -0.83 -1.67 0.00 -1.11 -4.93 121.76 111.11 1yup s ALA 86 Ca 0.32 1.52 -0.01 0.00 0.00 0.00 0.00 51.96 53.79 1yup s ALA 86 Cb 0.03 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.64 1yup s ALA 86 CO -0.19 -0.33 0.06 1.28 0.00 0.00 0.00 175.76 176.58 1yup n LEU 87 N 0.89 -0.91 -1.74 0.00 4.77 -1.26 -0.28 117.00 118.46 1yup n LEU 87 Ca -0.13 0.19 -0.17 0.00 -0.03 0.00 0.00 56.01 55.87 1yup n LEU 87 Cb 0.57 -1.87 -0.06 0.00 -2.33 0.00 0.00 43.42 39.74 1yup n LEU 87 CO 0.18 -0.07 -0.18 0.59 -1.33 0.00 0.00 177.39 176.58 1yup n ASN 88 N -1.79 -4.74 -4.83 -1.43 5.03 -1.26 -4.83 115.26 101.41 1yup n ASN 88 Ca -0.10 0.34 -0.23 0.00 0.87 0.00 0.00 54.58 55.47 1yup n ASN 88 Cb 0.58 -4.18 -0.04 0.00 -1.02 0.00 0.00 39.78 35.11 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 -3.88 2.96 0.00 3.52 0.41 0.61 -4.70 118.70 117.62 1yup s GLU 89 Ca 0.00 -0.99 0.00 0.00 -0.41 0.00 0.00 54.97 53.57 1yup s GLU 89 Cb 0.00 -2.61 0.00 0.00 -1.78 0.00 0.00 34.13 29.74 1yup s GLU 89 CO 0.00 0.42 0.04 0.27 -0.49 0.00 0.00 175.26 175.50 1yup n ASN 90 N -1.02 0.08 -3.88 -0.19 0.23 -0.68 -2.73 115.26 107.07 1yup n ASN 90 Ca -0.08 -0.43 -0.20 0.00 -0.53 0.00 0.00 54.58 53.35 1yup n ASN 90 Cb 0.57 0.14 -0.16 0.00 -2.08 0.00 0.00 39.78 38.25 1yup n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1yup s LYS 91 N -0.14 0.77 -0.18 -3.83 1.02 -0.56 -1.33 119.74 115.49 1yup s LYS 91 Ca 0.00 -0.08 -0.09 0.00 0.02 0.00 0.00 55.97 55.82 1yup s LYS 91 Cb 0.00 -0.82 -0.05 0.00 -0.52 0.00 0.00 37.83 36.44 1yup s LYS 91 CO 0.00 -0.10 0.13 0.08 -0.92 0.00 0.00 175.35 174.54 1yup s VAL 92 N 0.99 5.43 -0.23 3.17 1.01 -0.58 -1.56 120.40 128.64 1yup s VAL 92 Ca -0.10 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1yup s VAL 92 Cb -0.14 -3.44 0.05 0.00 0.00 0.00 0.00 36.38 32.85 1yup s VAL 92 CO -0.00 0.50 -0.10 -0.76 0.00 0.00 0.00 175.10 174.73 1yup s LEU 93 N -0.06 2.80 -0.44 3.92 2.01 0.38 -0.31 118.68 126.97 1yup s LEU 93 Ca 0.10 -1.13 -0.29 0.00 0.01 0.00 0.00 54.13 52.82 1yup s LEU 93 Cb -0.11 -1.37 0.02 0.00 0.01 0.00 0.00 46.19 44.74 1yup s LEU 93 CO -0.00 -0.17 1.17 -0.69 1.01 0.00 0.00 176.35 177.67 1yup s VAL 94 N 1.27 4.21 0.03 -1.59 1.01 0.44 -0.85 120.40 124.92 1yup s VAL 94 Ca -0.05 1.26 0.10 0.00 0.00 0.00 0.00 61.98 63.30 1yup s VAL 94 Cb -0.18 -4.51 -0.18 0.00 0.00 0.00 0.00 36.38 31.51 1yup s VAL 94 CO -0.07 -0.88 1.13 -0.07 0.00 0.00 0.00 175.10 175.21 1yup h LEU 95 N 11.17 0.00 0.00 3.92 4.07 -1.19 -2.12 115.31 131.16 1yup h LEU 95 Ca -0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1yup h LEU 95 Cb 1.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1yup h LEU 95 CO 1.11 0.92 0.00 -0.67 -1.08 0.00 0.00 178.44 178.71 1yup n ASP 96 N -3.24 0.00 -3.52 -0.43 2.03 -1.23 -2.55 116.55 107.62 1yup n ASP 96 Ca -0.04 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.13 1yup n ASP 96 Cb 0.94 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.29 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 -1.41 0.00 -1.03 5.18 -1.32 -1.26 -0.99 115.64 114.80 1yup s THR 97 Ca 0.00 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.60 1yup s THR 97 Cb 0.00 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.31 1yup s THR 97 CO 0.00 0.00 1.26 -0.90 -2.21 0.00 0.00 174.62 172.77 1yup n ASP 98 N 0.45 2.96 0.00 8.08 5.75 -1.01 -5.01 116.55 127.77 1yup n ASP 98 Ca -0.15 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 1yup n ASP 98 Cb 0.59 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 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 0.61 0.00 0.51 2.11 4.01 -1.26 -4.49 117.16 118.65 1yup n TYR 99 Ca 0.12 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.98 1yup n TYR 99 Cb 0.43 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.51 1yup n TYR 99 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1yup n LYS 100 N 0.00 0.33 0.07 -0.72 4.76 -1.26 -4.77 118.16 116.57 1yup n LYS 100 Ca 0.00 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1yup n LYS 100 Cb 0.00 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.56 1yup n LYS 100 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1yup n LYS 101 N -2.06 0.00 -4.26 1.97 5.02 -1.26 -4.75 118.16 112.82 1yup n LYS 101 Ca 0.02 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.09 1yup n LYS 101 Cb 0.45 -0.32 -0.12 0.00 -0.02 0.00 0.00 35.03 35.02 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 1.61 -0.15 2.13 1.13 -1.26 -1.36 117.35 117.46 1yup s TYR 102 Ca 0.00 -0.45 -0.06 0.00 -1.41 0.00 0.00 57.07 55.15 1yup s TYR 102 Cb 0.00 -0.87 0.07 0.00 -1.10 0.00 0.00 41.96 40.06 1yup s TYR 102 CO 0.00 0.18 0.31 -1.17 -2.51 0.00 0.00 175.55 172.36 1yup s LEU 103 N -2.02 -0.27 -0.18 -3.49 0.20 -0.83 -2.40 118.68 109.69 1yup s LEU 103 Ca 0.06 0.70 -0.09 0.00 0.69 0.00 0.00 54.13 55.49 1yup s LEU 103 Cb -0.09 0.91 -0.05 0.00 -0.43 0.00 0.00 46.19 46.54 1yup s LEU 103 CO 0.04 -0.22 0.11 -0.76 -0.29 0.00 0.00 176.35 175.23 1yup s LEU 104 N 2.23 4.13 0.18 -0.68 1.43 -0.17 -0.82 118.68 124.99 1yup s LEU 104 Ca -0.02 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1yup s LEU 104 Cb -0.11 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1yup s LEU 104 CO -0.10 0.22 0.10 0.72 0.23 0.00 0.00 176.35 177.52 1yup s PHE 105 N 0.12 1.08 0.03 0.29 -0.71 -0.72 -0.72 117.98 117.35 1yup s PHE 105 Ca 0.08 -1.31 -0.01 0.00 -1.04 0.00 0.00 56.93 54.65 1yup s PHE 105 Cb -0.11 -0.55 -0.02 0.00 -1.21 0.00 0.00 43.02 41.12 1yup s PHE 105 CO -0.01 -0.57 -0.02 0.00 -1.34 0.00 0.00 175.22 173.28 1yup s MET 107 N -2.23 1.01 0.04 0.00 0.23 0.55 -0.47 119.30 118.44 1yup s MET 107 Ca -0.09 -1.25 -0.28 0.00 -1.03 0.00 0.00 55.69 53.04 1yup s MET 107 Cb -0.04 -0.84 0.09 0.00 -1.53 0.00 0.00 34.83 32.51 1yup s MET 107 CO -0.04 0.15 0.94 -1.83 -2.03 0.00 0.00 175.02 172.21 1yup s GLU 108 N -2.79 0.90 -0.35 3.16 -1.05 -0.60 -1.78 118.70 116.19 1yup s GLU 108 Ca 0.09 -0.40 -0.10 0.00 -0.15 0.00 0.00 54.97 54.41 1yup s GLU 108 Cb -0.04 0.37 0.02 0.00 -0.44 0.00 0.00 34.13 34.04 1yup s GLU 108 CO 0.03 -0.40 0.18 1.21 0.95 0.00 0.00 175.26 177.22 1yup s ASN 109 N -2.63 5.63 0.56 0.83 3.84 -1.26 -1.50 114.94 120.41 1yup s ASN 109 Ca 0.08 -0.85 0.35 0.00 0.21 0.00 0.00 52.86 52.66 1yup s ASN 109 Cb -0.01 -2.00 1.48 0.00 -0.55 0.00 0.00 41.25 40.17 1yup s ASN 109 CO -0.05 -0.32 1.74 0.77 -2.79 0.00 0.00 177.10 176.45 1yup h SER 110 N 8.39 0.00 1.75 -4.21 4.64 -1.95 0.90 113.55 123.07 1yup h SER 110 Ca -0.28 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 1yup h SER 110 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1yup h SER 110 CO 0.65 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 176.52 1yup h ALA 111 N 1.27 0.95 -0.99 5.18 0.00 -1.99 -3.37 119.26 120.31 1yup h ALA 111 Ca 0.53 -0.08 -0.38 0.00 0.00 0.00 0.00 54.91 54.98 1yup h ALA 111 Cb 2.30 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 19.81 1yup h ALA 111 CO -0.01 0.11 -0.80 -0.85 0.00 0.00 0.00 179.25 177.70 1yup n GLU 112 N -3.13 0.78 0.16 0.00 0.28 0.24 -5.02 120.64 113.94 1yup n GLU 112 Ca 0.03 -2.49 0.01 0.00 -0.16 0.00 0.00 57.16 54.55 1yup n GLU 112 Cb 0.53 -1.35 0.25 0.00 1.43 0.00 0.00 31.44 32.31 1yup n GLU 112 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1yup h PRO 113 N 3.86 0.00 0.38 3.44 0.13 -1.54 -2.70 132.00 135.57 1yup h PRO 113 Ca -0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1yup h PRO 113 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1yup h PRO 113 CO 0.38 0.51 -0.18 0.93 -0.23 0.00 0.00 178.00 179.41 1yup h GLU 114 N 0.00 -0.50 -0.27 0.86 5.08 -1.96 -3.30 114.58 114.50 1yup h GLU 114 Ca -0.01 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1yup h GLU 114 Cb 0.95 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1yup h GLU 114 CO 0.07 -0.18 0.00 1.04 -1.00 0.00 0.00 179.01 178.93 1yup n GLN 115 N -5.16 1.34 0.00 2.33 6.02 -1.11 -3.43 117.38 117.37 1yup n GLN 115 Ca -0.09 -0.45 0.00 0.00 -0.01 0.00 0.00 57.00 56.45 1yup n GLN 115 Cb 0.28 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 30.35 1yup n GLN 115 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1yup n SER 116 N -0.10 0.61 -4.63 1.08 7.64 -1.04 -4.73 113.62 112.45 1yup n SER 116 Ca 0.04 -0.98 -0.42 0.00 1.01 0.00 0.00 58.87 58.53 1yup n SER 116 Cb 0.16 0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.33 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 -0.04 4.07 0.01 -3.43 2.96 -1.22 -4.31 118.68 116.72 1yup s LEU 117 Ca 0.00 0.84 0.08 0.00 -0.22 0.00 0.00 54.13 54.83 1yup s LEU 117 Cb 0.00 -3.15 -0.02 0.00 0.50 0.00 0.00 46.19 43.52 1yup s LEU 117 CO 0.00 -0.59 -0.24 0.00 -1.32 0.00 0.00 176.35 174.20 1yup s ALA 118 N 2.96 1.99 0.23 5.97 0.00 -0.73 -1.89 121.76 130.28 1yup s ALA 118 Ca 0.34 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 51.28 1yup s ALA 118 Cb -0.14 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 1yup s ALA 118 CO 0.11 0.47 -0.10 0.00 0.00 0.00 0.00 175.76 176.24 1yup s GLN 120 N -3.69 0.28 -0.26 0.00 -0.21 -0.38 -1.63 119.66 113.76 1yup s GLN 120 Ca 0.25 0.12 -0.16 0.00 0.02 0.00 0.00 55.36 55.59 1yup s GLN 120 Cb 0.01 0.13 -0.03 0.00 1.00 0.00 0.00 33.01 34.12 1yup s GLN 120 CO 0.09 -0.05 0.43 0.00 -2.12 0.00 0.00 175.29 173.64 1yup s LEU 122 N 2.14 3.56 0.06 0.00 1.43 0.00 -1.01 118.68 124.86 1yup s LEU 122 Ca 0.18 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1yup s LEU 122 Cb -0.16 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 1yup s LEU 122 CO 0.10 0.16 -0.05 0.68 0.23 0.00 0.00 176.35 177.47 1yup s VAL 123 N -1.37 0.42 0.10 -1.59 -7.23 -0.61 -1.96 120.40 108.15 1yup s VAL 123 Ca 0.27 -1.49 -0.03 0.00 -1.81 0.00 0.00 61.98 58.92 1yup s VAL 123 Cb -0.12 -1.10 -0.25 0.00 0.56 0.00 0.00 36.38 35.48 1yup s VAL 123 CO 0.20 -0.71 1.20 0.03 -0.31 0.00 0.00 175.10 175.51 1yup h ARG 124 N 3.72 0.28 -6.60 4.82 2.47 -1.46 -0.31 114.38 117.29 1yup h ARG 124 Ca -0.34 -0.42 -0.65 0.00 -1.26 0.00 0.00 59.98 57.30 1yup h ARG 124 Cb 1.18 0.15 -0.18 0.00 -1.65 0.00 0.00 29.97 29.47 1yup h ARG 124 CO 0.54 1.16 -0.79 0.95 0.56 0.00 0.00 179.97 182.40 1yup s THR 125 N -2.84 2.68 -1.48 2.04 -4.23 -1.26 -4.59 115.64 105.97 1yup s THR 125 Ca -0.04 -1.81 -0.11 0.00 -1.18 0.00 0.00 61.69 58.55 1yup s THR 125 Cb 0.08 -2.28 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 1yup s THR 125 CO 0.87 -0.06 2.64 -0.81 -0.54 0.00 0.00 174.62 176.72 1yup n PRO 126 N 0.33 3.22 -3.95 3.99 -0.04 -1.26 -4.82 135.00 132.47 1yup n PRO 126 Ca -0.13 -2.22 -0.08 0.00 -0.04 0.00 0.00 63.50 61.03 1yup n PRO 126 Cb 0.55 -2.90 -0.08 0.00 -0.04 0.00 0.00 33.50 31.02 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 2.69 0.80 -0.39 0.54 2.02 -1.26 -4.56 118.70 118.54 1yup s GLU 127 Ca 0.60 -1.08 -0.29 0.00 0.02 0.00 0.00 54.97 54.22 1yup s GLU 127 Cb 0.16 0.30 0.02 0.00 0.10 0.00 0.00 34.13 34.70 1yup s GLU 127 CO -0.06 -0.23 1.23 0.54 0.02 0.00 0.00 175.26 176.77 1yup s VAL 128 N -3.90 4.17 -0.25 2.63 0.11 -1.26 -4.98 120.40 116.92 1yup s VAL 128 Ca 0.07 1.26 -0.19 0.00 -2.93 0.00 0.00 61.98 60.19 1yup s VAL 128 Cb 0.06 -4.37 -0.02 0.00 -1.53 0.00 0.00 36.38 30.52 1yup s VAL 128 CO -0.09 -0.73 0.57 -0.62 -3.33 0.00 0.00 175.10 170.90 1yup s ASP 129 N 2.76 6.51 0.11 3.54 -1.08 -1.26 -4.96 116.67 122.29 1yup s ASP 129 Ca 0.53 0.62 -0.10 0.00 -0.52 0.00 0.00 52.55 53.08 1yup s ASP 129 Cb -0.12 -2.31 -0.13 0.00 -1.46 0.00 0.00 42.92 38.90 1yup s ASP 129 CO 0.27 -0.33 1.30 0.44 0.52 0.00 0.00 175.17 177.38 1yup h ASP 130 N 7.93 0.83 -0.61 -0.34 3.32 -2.00 -2.39 116.42 123.16 1yup h ASP 130 Ca -0.28 -0.58 -0.01 0.00 0.02 0.00 0.00 57.03 56.18 1yup h ASP 130 Cb 1.13 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.41 1yup h ASP 130 CO 0.74 1.37 0.34 -0.33 -1.72 0.00 0.00 179.24 179.65 1yup h GLU 131 N 0.44 0.85 -0.88 3.56 4.39 -2.00 -2.00 114.58 118.95 1yup h GLU 131 Ca -0.07 -0.09 0.06 0.00 0.34 0.00 0.00 59.36 59.60 1yup h GLU 131 Cb 1.47 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 29.89 1yup h GLU 131 CO 0.16 0.64 0.57 0.00 -1.16 0.00 0.00 179.01 179.22 1yup h ALA 132 N 1.16 1.54 -0.02 3.43 0.00 -1.95 -1.94 119.26 121.48 1yup h ALA 132 Ca 0.22 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.90 1yup h ALA 132 Cb 0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1yup h ALA 132 CO -0.04 0.33 -0.86 1.98 0.00 0.00 0.00 179.25 180.66 1yup h MET 133 N 0.99 0.34 -0.56 0.00 -1.53 -1.23 -2.62 114.93 110.32 1yup h MET 133 Ca 0.38 -0.34 -0.07 0.00 -3.44 0.00 0.00 59.70 56.23 1yup h MET 133 Cb 0.20 0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.32 1yup h MET 133 CO -0.14 1.02 0.08 0.93 0.14 0.00 0.00 176.91 178.94 1yup h GLU 134 N 0.20 0.90 -0.37 0.39 5.08 -0.85 -1.03 114.58 118.91 1yup h GLU 134 Ca -0.06 -0.22 -0.14 0.00 -1.00 0.00 0.00 59.36 57.94 1yup h GLU 134 Cb 1.48 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1yup h GLU 134 CO 0.14 0.84 -0.34 0.87 -1.00 0.00 0.00 179.01 179.53 1yup h LYS 135 N 0.85 0.85 -0.84 2.33 1.57 -1.40 -2.58 116.57 117.34 1yup h LYS 135 Ca 0.17 -0.41 0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1yup h LYS 135 Cb 0.39 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 1yup h LYS 135 CO 0.01 1.05 0.54 0.35 -0.57 0.00 0.00 179.45 180.83 1yup h PHE 136 N 0.71 1.01 -0.40 -1.35 3.57 -1.06 -2.11 116.94 117.30 1yup h PHE 136 Ca 0.07 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1yup h PHE 136 Cb 0.90 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1yup h PHE 136 CO 0.05 0.57 0.22 -0.44 -2.23 0.00 0.00 178.31 176.48 1yup h ASP 137 N 1.04 0.50 -0.45 0.41 3.32 -1.02 -1.13 116.42 119.09 1yup h ASP 137 Ca 0.34 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 1yup h ASP 137 Cb 0.03 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1yup h ASP 137 CO -0.12 0.44 0.12 0.11 -1.72 0.00 0.00 179.24 178.07 1yup h LYS 138 N 0.51 0.72 -0.85 3.56 6.56 -1.34 0.88 116.57 126.62 1yup h LYS 138 Ca 0.14 -0.17 0.08 0.00 -1.06 0.00 0.00 60.65 59.64 1yup h LYS 138 Cb 0.06 -0.10 -0.07 0.00 -0.57 0.00 0.00 32.23 31.55 1yup h LYS 138 CO -0.02 0.71 0.51 0.00 -2.06 0.00 0.00 179.45 178.59 1yup h ALA 139 N 0.98 1.19 0.00 3.86 0.00 -1.14 -2.85 119.26 121.30 1yup h ALA 139 Ca 0.14 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1yup h ALA 139 Cb 0.31 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1yup h ALA 139 CO 0.00 0.19 -0.48 -0.07 0.00 0.00 0.00 179.25 178.89 1yup h LEU 140 N 0.89 0.00 -1.89 0.00 4.07 -0.88 -3.34 115.31 114.15 1yup h LEU 140 Ca 0.39 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.35 1yup h LEU 140 Cb 0.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1yup h LEU 140 CO -0.21 0.13 0.00 0.11 -1.08 0.00 0.00 178.44 177.39 1yup h LYS 141 N 0.00 0.00 -0.01 1.13 1.57 -0.57 -0.50 116.57 118.18 1yup h LYS 141 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1yup h LYS 141 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1yup h LYS 141 CO 0.01 0.00 -0.22 0.00 -0.57 0.00 0.00 179.45 178.67 1yup n ALA 142 N -2.05 2.93 -2.44 3.86 0.00 -1.25 -4.97 120.51 116.58 1yup n ALA 142 Ca -0.01 -0.54 -0.31 0.00 0.00 0.00 0.00 53.44 52.59 1yup n ALA 142 Cb 0.21 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.76 4.12 -1.44 0.00 1.43 -0.20 -4.96 118.68 115.87 1yup s LEU 143 Ca 0.13 0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 53.98 1yup s LEU 143 Cb 0.12 -3.65 0.05 0.00 0.03 0.00 0.00 46.19 42.74 1yup s LEU 143 CO 0.32 -0.12 2.28 -0.81 0.23 0.00 0.00 176.35 178.25 1yup n PRO 144 N -0.43 3.26 -3.21 1.29 -0.04 -1.26 -4.96 135.00 129.65 1yup n PRO 144 Ca -0.00 -2.79 -0.39 0.00 -0.04 0.00 0.00 63.50 60.29 1yup n PRO 144 Cb 0.53 -3.09 -0.06 0.00 -0.04 0.00 0.00 33.50 30.84 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 2.16 4.30 0.00 0.54 -1.94 -1.26 -4.17 119.30 118.93 1yup s MET 145 Ca 0.50 0.74 0.00 0.00 -1.71 0.00 0.00 55.69 55.21 1yup s MET 145 Cb 0.14 -3.33 0.00 0.00 2.01 0.00 0.00 34.83 33.65 1yup s MET 145 CO -0.06 0.40 0.40 0.72 -0.01 0.00 0.00 175.02 176.47 1yup n HIS 146 N 2.59 0.00 -3.78 -0.03 8.25 -0.47 -4.94 115.22 116.85 1yup n HIS 146 Ca -0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.25 1yup n HIS 146 Cb 0.51 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.47 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 -0.16 -0.04 -0.02 1.59 2.07 -0.84 -4.71 121.20 119.09 1yup s ILE 147 Ca 0.00 0.15 0.05 0.00 -1.41 0.00 0.00 60.65 59.44 1yup s ILE 147 Cb 0.00 -0.17 -0.01 0.00 0.13 0.00 0.00 42.46 42.41 1yup s ILE 147 CO 0.00 0.06 -0.16 -0.60 -1.91 0.00 0.00 174.94 172.33 1yup s ARG 148 N 0.88 1.37 0.01 3.50 3.52 -1.26 -0.89 118.95 126.08 1yup s ARG 148 Ca -0.07 -0.58 0.01 0.00 -0.13 0.00 0.00 55.73 54.96 1yup s ARG 148 Cb -0.09 -1.30 -0.01 0.00 -1.56 0.00 0.00 34.95 31.98 1yup s ARG 148 CO -0.04 0.34 -0.05 -0.51 -0.81 0.00 0.00 175.30 174.23 1yup s LEU 149 N -0.33 2.09 0.05 -0.88 1.43 0.36 -4.99 118.68 116.41 1yup s LEU 149 Ca 0.05 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1yup s LEU 149 Cb -0.07 -0.16 -0.03 0.00 0.03 0.00 0.00 46.19 45.96 1yup s LEU 149 CO -0.00 -0.05 -0.05 -0.94 0.23 0.00 0.00 176.35 175.54 1yup s SER 150 N -0.61 0.66 0.06 2.29 1.04 -1.26 -0.71 113.70 115.16 1yup s SER 150 Ca -0.03 -0.76 0.09 0.00 0.48 0.00 0.00 55.95 55.73 1yup s SER 150 Cb -0.05 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 1yup s SER 150 CO -0.00 -0.39 -0.24 -0.36 0.98 0.00 0.00 173.24 173.23 1yup s PHE 151 N -2.58 2.40 0.62 5.02 0.08 -0.42 -4.99 117.98 118.11 1yup s PHE 151 Ca -0.02 -0.35 -0.10 0.00 0.12 0.00 0.00 56.93 56.58 1yup s PHE 151 Cb -0.02 -1.39 -0.02 0.00 -0.57 0.00 0.00 43.02 41.02 1yup s PHE 151 CO -0.04 0.21 1.01 0.54 -0.10 0.00 0.00 175.22 176.83 1yup s ASN 152 N -1.46 5.97 0.48 1.36 2.20 -1.26 -4.81 114.94 117.43 1yup s ASN 152 Ca 0.13 1.22 0.27 0.00 -0.94 0.00 0.00 52.86 53.55 1yup s ASN 152 Cb -0.10 -2.23 1.34 0.00 -2.00 0.00 0.00 41.25 38.25 1yup s ASN 152 CO 0.04 -0.98 1.82 -0.65 -2.94 0.00 0.00 177.10 174.40 1yup h PRO 153 N -0.33 0.17 -0.04 3.55 0.11 -1.94 0.93 132.00 134.45 1yup h PRO 153 Ca -0.45 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 1yup h PRO 153 Cb 1.21 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.30 1yup h PRO 153 CO 0.62 0.11 -0.68 1.15 -0.21 0.00 0.00 178.00 178.99 1yup h THR 154 N 0.17 1.37 -0.23 -1.15 2.02 -1.93 -2.16 112.91 111.01 1yup h THR 154 Ca 0.53 -2.03 0.03 0.00 0.77 0.00 0.00 66.41 65.70 1yup h THR 154 Cb 1.74 2.39 -0.03 0.00 -1.74 0.00 0.00 68.15 70.51 1yup h THR 154 CO -0.12 0.61 0.03 1.56 0.37 0.00 0.00 175.52 177.97 1yup h GLN 155 N 0.12 0.11 -0.78 6.66 4.20 -1.61 -2.09 115.11 121.72 1yup h GLN 155 Ca -0.07 -0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.81 1yup h GLN 155 Cb 1.36 -0.02 -0.13 0.00 0.30 0.00 0.00 27.48 28.99 1yup h GLN 155 CO 0.14 0.07 0.13 -0.07 -0.67 0.00 0.00 178.83 178.43 1yup h LEU 156 N 0.11 -0.11 -1.03 1.46 3.38 -0.82 -2.20 115.31 116.10 1yup h LEU 156 Ca 0.10 0.18 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 1yup h LEU 156 Cb 0.11 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1yup h LEU 156 CO -0.15 -0.12 -0.38 -0.33 0.09 0.00 0.00 178.44 177.55 1yup h GLU 157 N 0.20 0.00 -2.00 1.13 5.08 -0.74 -3.28 114.58 114.96 1yup h GLU 157 Ca 0.45 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 58.05 1yup h GLU 157 Cb 0.82 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.78 1yup h GLU 157 CO -0.60 0.38 0.85 0.39 -1.00 0.00 0.00 179.01 179.03 1yup n GLU 158 N -3.63 3.25 0.00 2.33 -0.58 -0.83 -5.01 120.64 116.16 1yup n GLU 158 Ca -0.01 -3.82 0.00 0.00 -0.42 0.00 0.00 57.16 52.91 1yup n GLU 158 Cb 0.49 -2.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.06 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 -0.45 0.00 0.00 3.49 10.64 -1.24 -1.69 117.38 128.13 1yup n GLN 159 Ca 0.51 0.00 0.14 0.00 -1.83 0.00 0.00 57.00 55.82 1yup n GLN 159 Cb 0.28 0.00 0.56 0.00 -0.86 0.00 0.00 30.24 30.22 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 -2.69 4.23 0.00 0.00 0.52 -0.68 -4.85 118.95 115.47 1yup s ARG 161 Ca 0.22 1.74 0.00 0.00 -0.52 0.00 0.00 55.73 57.18 1yup s ARG 161 Cb 0.19 -2.77 0.00 0.00 0.52 0.00 0.00 34.95 32.90 1yup s ARG 161 CO 0.53 -0.14 0.00 0.28 0.02 0.00 0.00 175.30 175.99