#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 4.96 0.15 0.00 2.01 -1.26 -5.06 115.64 116.43 1yup s THR 4 Ca 0.00 0.56 -0.12 0.00 0.31 0.00 0.00 61.69 62.44 1yup s THR 4 Cb 0.00 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.85 1yup s THR 4 CO 0.00 0.13 0.34 -1.10 -0.69 0.00 0.00 174.62 173.29 1yup s GLN 5 N -2.30 1.14 -0.01 4.92 -0.21 -1.26 -5.07 119.66 116.87 1yup s GLN 5 Ca 0.40 -1.00 -0.21 0.00 0.02 0.00 0.00 55.36 54.57 1yup s GLN 5 Cb -0.13 0.42 -0.05 0.00 1.00 0.00 0.00 33.01 34.24 1yup s GLN 5 CO 0.20 -0.43 0.60 0.99 -2.12 0.00 0.00 175.29 174.53 1yup s THR 6 N -3.91 4.92 0.74 -0.19 2.01 -1.26 -4.57 115.64 113.38 1yup s THR 6 Ca 0.11 1.25 -0.12 0.00 0.31 0.00 0.00 61.69 63.25 1yup s THR 6 Cb 0.02 -3.93 0.04 0.00 0.01 0.00 0.00 72.50 68.64 1yup s THR 6 CO -0.04 0.41 1.09 0.00 -0.69 0.00 0.00 174.62 175.39 1yup s MET 7 N -0.14 2.47 0.00 4.92 0.00 -0.98 -4.98 119.30 120.59 1yup s MET 7 Ca 0.31 1.19 0.00 0.00 0.00 0.00 0.00 55.69 57.19 1yup s MET 7 Cb -0.18 -1.92 0.00 0.00 0.00 0.00 0.00 34.83 32.73 1yup s MET 7 CO 0.17 -1.48 0.54 0.36 0.00 0.00 0.00 175.02 174.61 1yup n LYS 8 N -3.23 0.00 -4.44 3.16 0.00 -1.26 -4.33 118.16 108.07 1yup n LYS 8 Ca 0.09 0.45 -0.33 0.00 -0.00 0.00 0.00 58.31 58.51 1yup n LYS 8 Cb 0.53 -1.23 -0.15 0.00 -0.00 0.00 0.00 35.03 34.18 1yup n LYS 8 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1yup s ASP 9 N -2.34 3.83 -0.13 -5.58 -1.08 -1.26 -4.63 116.67 105.48 1yup s ASP 9 Ca 0.00 -0.43 -0.03 0.00 -0.52 0.00 0.00 52.55 51.57 1yup s ASP 9 Cb 0.00 -1.60 -0.03 0.00 -1.46 0.00 0.00 42.92 39.83 1yup s ASP 9 CO 0.00 0.08 -0.05 -0.22 0.52 0.00 0.00 175.17 175.50 1yup s LEU 10 N 0.86 3.23 -0.76 -1.34 2.96 -1.26 -5.06 118.68 117.31 1yup s LEU 10 Ca -0.04 -0.10 -0.10 0.00 -0.22 0.00 0.00 54.13 53.67 1yup s LEU 10 Cb -0.15 -1.76 0.20 0.00 0.50 0.00 0.00 46.19 44.98 1yup s LEU 10 CO -0.00 0.22 0.65 -0.62 -1.32 0.00 0.00 176.35 175.28 1yup s ASP 11 N 0.08 6.24 0.54 3.68 -1.08 -1.26 -4.93 116.67 119.94 1yup s ASP 11 Ca -0.01 -2.74 0.36 0.00 -0.52 0.00 0.00 52.55 49.64 1yup s ASP 11 Cb -0.14 -2.09 1.81 0.00 -1.46 0.00 0.00 42.92 41.05 1yup s ASP 11 CO 0.03 -0.51 2.09 0.58 0.52 0.00 0.00 175.17 177.88 1yup h VAL 12 N 4.95 0.00 0.00 1.11 2.07 -1.97 -2.10 116.25 120.32 1yup h VAL 12 Ca 0.06 -0.15 -0.16 0.00 0.82 0.00 0.00 66.70 67.26 1yup h VAL 12 Cb 1.01 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1yup h VAL 12 CO 0.74 0.00 -0.78 1.56 0.02 0.00 0.00 177.57 179.12 1yup h GLN 13 N 0.00 0.00 -0.01 1.57 1.08 -1.94 -3.13 115.11 112.68 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 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1yup h GLN 13 CO 0.00 0.78 -0.18 1.63 -0.95 0.00 0.00 178.83 180.11 1yup n LYS 14 N -3.53 0.82 0.00 1.46 4.76 -0.79 -3.02 118.16 117.87 1yup n LYS 14 Ca -0.00 -0.41 0.15 0.00 -2.87 0.00 0.00 58.31 55.18 1yup n LYS 14 Cb 0.77 -1.49 0.79 0.00 -1.84 0.00 0.00 35.03 33.26 1yup n LYS 14 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1yup n VAL 15 N -0.73 0.03 -2.18 -0.18 0.24 -1.18 -4.76 118.33 109.56 1yup n VAL 15 Ca 0.14 0.01 -0.40 0.00 -2.04 0.00 0.00 64.34 62.05 1yup n VAL 15 Cb 0.32 -0.52 -0.02 0.00 -1.47 0.00 0.00 33.84 32.15 1yup n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yup s ALA 16 N -2.41 3.33 0.00 2.33 0.00 -1.17 -4.69 121.76 119.14 1yup s ALA 16 Ca 0.33 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1yup s ALA 16 Cb 0.20 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1yup s ALA 16 CO 0.42 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1yup n GLY 17 N 0.76 0.39 3.70 0.00 0.00 -0.55 -4.95 105.19 104.53 1yup n GLY 17 Ca 0.02 -2.05 -0.40 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 -0.51 5.00 0.23 2.61 2.01 -1.26 -1.04 115.64 122.68 1yup s THR 18 Ca 0.00 1.49 0.05 0.00 0.31 0.00 0.00 61.69 63.53 1yup s THR 18 Cb 0.00 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 1yup s THR 18 CO 0.00 0.19 -0.04 0.26 -0.69 0.00 0.00 174.62 174.34 1yup s TRP 19 N 1.19 1.61 -0.03 4.92 0.52 -0.88 -4.53 118.94 121.74 1yup s TRP 19 Ca 0.37 -0.83 0.01 0.00 0.02 0.00 0.00 56.10 55.67 1yup s TRP 19 Cb -0.17 -0.91 0.02 0.00 -1.15 0.00 0.00 33.47 31.26 1yup s TRP 19 CO 0.17 0.07 -0.01 0.71 0.02 0.00 0.00 176.95 177.90 1yup s TYR 20 N -3.29 0.38 -0.79 -1.98 1.51 0.25 -4.18 117.35 109.25 1yup s TYR 20 Ca 0.27 -0.04 -0.25 0.00 -1.01 0.00 0.00 57.07 56.03 1yup s TYR 20 Cb 0.04 -0.40 -0.01 0.00 -0.11 0.00 0.00 41.96 41.48 1yup s TYR 20 CO 0.08 -0.11 1.75 -1.12 -1.11 0.00 0.00 175.55 175.04 1yup s SER 21 N 0.74 5.53 0.12 2.29 0.01 -1.25 0.49 113.70 121.64 1yup s SER 21 Ca -0.08 -0.39 -0.11 0.00 1.31 0.00 0.00 55.95 56.68 1yup s SER 21 Cb -0.11 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.47 1yup s SER 21 CO -0.01 -2.30 1.37 0.25 0.41 0.00 0.00 173.24 172.95 1yup h LEU 22 N 15.92 0.93 -8.11 2.44 6.46 -1.44 -3.45 115.31 128.06 1yup h LEU 22 Ca -0.07 -0.56 -0.12 0.00 -0.12 0.00 0.00 57.88 57.01 1yup h LEU 22 Cb 1.07 -0.27 -0.13 0.00 -0.73 0.00 0.00 40.66 40.59 1yup h LEU 22 CO 1.26 1.35 -0.42 0.00 -0.62 0.00 0.00 178.44 180.01 1yup s ALA 23 N -3.93 0.17 -0.25 1.25 0.00 -1.21 -0.99 121.76 116.80 1yup s ALA 23 Ca -0.10 -0.98 -0.19 0.00 0.00 0.00 0.00 51.96 50.69 1yup s ALA 23 Cb 0.09 0.76 0.07 0.00 0.00 0.00 0.00 23.12 24.04 1yup s ALA 23 CO 0.89 -0.57 0.65 -1.64 0.00 0.00 0.00 175.76 175.09 1yup s MET 24 N -3.96 0.71 0.13 0.00 -1.94 0.30 -1.68 119.30 112.85 1yup s MET 24 Ca 0.16 1.03 0.06 0.00 -1.71 0.00 0.00 55.69 55.22 1yup s MET 24 Cb 0.05 0.25 -0.04 0.00 2.01 0.00 0.00 34.83 37.10 1yup s MET 24 CO -0.02 -0.12 -0.13 0.00 -0.01 0.00 0.00 175.02 174.74 1yup s ALA 25 N 0.95 1.47 0.00 3.03 0.00 0.15 0.32 121.76 127.69 1yup s ALA 25 Ca -0.05 -1.33 -0.05 0.00 0.00 0.00 0.00 51.96 50.53 1yup s ALA 25 Cb -0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 1yup s ALA 25 CO -0.09 0.05 0.08 0.00 0.00 0.00 0.00 175.76 175.81 1yup s ALA 26 N -2.40 -0.18 0.10 0.00 0.00 -0.86 -0.09 121.76 118.34 1yup s ALA 26 Ca 0.10 -0.24 0.24 0.00 0.00 0.00 0.00 51.96 52.07 1yup s ALA 26 Cb -0.03 0.10 0.91 0.00 0.00 0.00 0.00 23.12 24.09 1yup s ALA 26 CO 0.03 -0.18 1.82 0.66 0.00 0.00 0.00 175.76 178.08 1yup h SER 27 N 4.53 0.00 -3.27 0.00 4.64 -1.26 -2.10 113.55 116.10 1yup h SER 27 Ca -0.31 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.35 1yup h SER 27 Cb 1.20 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.98 1yup h SER 27 CO 0.41 0.21 -0.82 -0.62 -0.87 0.00 0.00 176.83 175.14 1yup s ASP 28 N -6.16 3.52 0.22 4.97 -1.08 -1.26 -3.98 116.67 112.91 1yup s ASP 28 Ca 0.01 -0.49 -0.09 0.00 -0.52 0.00 0.00 52.55 51.46 1yup s ASP 28 Cb 0.10 -1.53 0.24 0.00 -1.46 0.00 0.00 42.92 40.26 1yup s ASP 28 CO 0.63 0.10 1.85 0.40 0.52 0.00 0.00 175.17 178.67 1yup h ILE 29 N 5.68 1.07 0.00 4.11 2.04 -1.86 -2.82 117.51 125.74 1yup h ILE 29 Ca -0.31 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.19 1yup h ILE 29 Cb 1.20 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1yup h ILE 29 CO 0.56 0.16 -0.27 0.77 0.00 0.00 0.00 178.15 179.36 1yup h SER 30 N 0.88 0.00 0.53 1.72 4.64 -1.95 -0.45 113.55 118.92 1yup h SER 30 Ca 0.31 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.62 1yup h SER 30 Cb 0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1yup h SER 30 CO -0.13 0.27 -0.06 -0.07 -0.87 0.00 0.00 176.83 175.97 1yup h LEU 31 N 0.00 0.00 -1.76 5.97 3.38 -1.89 -3.22 115.31 117.78 1yup h LEU 31 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1yup h LEU 31 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1yup h LEU 31 CO 0.04 0.06 0.00 -0.11 0.09 0.00 0.00 178.44 178.52 1yup n LEU 32 N -3.31 1.13 -4.18 1.67 7.94 -0.75 -0.69 117.00 118.81 1yup n LEU 32 Ca -0.01 -1.13 -0.40 0.00 -1.11 0.00 0.00 56.01 53.36 1yup n LEU 32 Cb 0.23 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.10 1yup n LEU 32 CO 0.27 0.28 -0.00 -0.62 -1.11 0.00 0.00 177.39 176.21 1yup s ASP 33 N -0.44 5.61 0.00 1.96 2.15 -0.25 -4.86 116.67 120.84 1yup s ASP 33 Ca 0.00 -2.19 0.00 0.00 0.43 0.00 0.00 52.55 50.79 1yup s ASP 33 Cb 0.00 -1.96 0.00 0.00 -0.30 0.00 0.00 42.92 40.66 1yup s ASP 33 CO 0.00 -0.59 0.00 0.00 -0.17 0.00 0.00 175.17 174.41 1yup n ALA 34 N 4.49 0.00 0.31 3.66 0.00 -1.26 -4.51 120.51 123.20 1yup n ALA 34 Ca -0.02 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.57 1yup n ALA 34 Cb 0.41 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.55 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 -0.34 0.00 1.08 -1.97 -2.45 115.11 111.43 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 0.00 0.00 -1.13 -0.95 0.00 0.00 178.83 176.75 1yup n SER 36 N -2.66 3.43 -4.70 1.46 3.41 -1.26 -4.36 113.62 108.95 1yup n SER 36 Ca 0.00 -2.43 -0.39 0.00 -0.26 0.00 0.00 58.87 55.79 1yup n SER 36 Cb 0.20 -0.38 0.03 0.00 -0.26 0.00 0.00 64.21 63.80 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 0.16 1.21 -0.15 7.33 0.00 -0.92 -4.90 120.51 123.24 1yup n ALA 37 Ca 0.16 0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.87 1yup n ALA 37 Cb 0.64 -2.28 0.45 0.00 0.00 0.00 0.00 19.45 18.27 1yup n ALA 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1yup h PRO 38 N 1.49 0.51 -0.47 0.00 0.11 -1.77 -2.51 132.00 129.36 1yup h PRO 38 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1yup h PRO 38 Cb 1.31 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1yup h PRO 38 CO 0.57 0.33 0.00 1.28 -0.21 0.00 0.00 178.00 179.97 1yup n LEU 39 N -4.49 3.75 -3.68 2.35 4.77 0.13 -4.72 117.00 115.12 1yup n LEU 39 Ca 0.12 -2.31 -0.41 0.00 -0.03 0.00 0.00 56.01 53.38 1yup n LEU 39 Cb 0.39 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1yup n LEU 39 CO 0.33 0.78 2.52 -1.14 -1.33 0.00 0.00 177.39 178.55 1yup n ARG 40 N 0.65 3.46 -4.48 3.23 3.00 -0.95 -4.90 116.66 116.67 1yup n ARG 40 Ca 0.19 -2.96 -0.32 0.00 -0.00 0.00 0.00 57.85 54.76 1yup n ARG 40 Cb 0.67 -3.01 -0.11 0.00 0.00 0.00 0.00 32.46 30.01 1yup n ARG 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1yup s VAL 41 N 1.53 3.57 -0.25 5.15 -7.23 -1.26 -4.62 120.40 117.29 1yup s VAL 41 Ca 0.49 -0.80 -0.02 0.00 -1.81 0.00 0.00 61.98 59.83 1yup s VAL 41 Cb 0.14 -2.54 0.02 0.00 0.56 0.00 0.00 36.38 34.56 1yup s VAL 41 CO -0.05 0.40 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.77 1yup s TYR 42 N -0.98 3.06 0.06 2.82 1.51 -0.29 -4.94 117.35 118.60 1yup s TYR 42 Ca 0.17 -1.48 -0.31 0.00 -1.01 0.00 0.00 57.07 54.44 1yup s TYR 42 Cb -0.11 -2.07 -0.07 0.00 -0.11 0.00 0.00 41.96 39.60 1yup s TYR 42 CO 0.07 -0.71 1.41 0.08 -1.11 0.00 0.00 175.55 175.29 1yup s VAL 43 N 1.34 3.47 -0.18 0.71 1.01 -1.26 -1.01 120.40 124.48 1yup s VAL 43 Ca 0.01 0.98 0.03 0.00 0.00 0.00 0.00 61.98 63.00 1yup s VAL 43 Cb -0.16 -3.63 -0.22 0.00 0.00 0.00 0.00 36.38 32.37 1yup s VAL 43 CO -0.04 0.04 0.11 -0.62 0.00 0.00 0.00 175.10 174.59 1yup n GLU 44 N 4.68 0.69 -3.58 2.72 1.02 0.76 -3.75 120.64 123.18 1yup n GLU 44 Ca 0.12 0.18 -0.13 0.00 -0.02 0.00 0.00 57.16 57.31 1yup n GLU 44 Cb 0.43 -1.61 -0.06 0.00 -0.02 0.00 0.00 31.44 30.18 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 -2.54 0.78 -0.15 3.49 2.12 -0.95 -2.07 118.70 119.38 1yup s GLU 45 Ca -0.23 0.42 0.02 0.00 0.36 0.00 0.00 54.97 55.54 1yup s GLU 45 Cb 0.08 0.37 0.01 0.00 0.26 0.00 0.00 34.13 34.85 1yup s GLU 45 CO 0.72 -0.19 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.53 1yup s LEU 46 N -0.61 2.07 -0.35 2.70 1.02 -0.21 -0.29 118.68 123.01 1yup s LEU 46 Ca -0.04 -0.60 0.02 0.00 0.02 0.00 0.00 54.13 53.53 1yup s LEU 46 Cb -0.02 -1.42 0.11 0.00 0.02 0.00 0.00 46.19 44.87 1yup s LEU 46 CO 0.03 0.04 0.10 -0.54 0.02 0.00 0.00 176.35 176.00 1yup s LYS 47 N 1.02 1.19 0.58 1.70 -0.14 0.13 -1.48 119.74 122.74 1yup s LYS 47 Ca -0.02 -1.62 -0.20 0.00 -1.36 0.00 0.00 55.97 52.77 1yup s LYS 47 Cb -0.14 -2.64 -0.04 0.00 -1.68 0.00 0.00 37.83 33.33 1yup s LYS 47 CO -0.06 -0.99 1.20 -2.30 -0.76 0.00 0.00 175.35 172.44 1yup n PRO 48 N 4.34 1.28 -3.26 -1.68 -0.02 -1.26 -0.63 135.00 133.76 1yup n PRO 48 Ca 0.02 0.48 -0.23 0.00 -2.02 0.00 0.00 63.50 61.75 1yup n PRO 48 Cb 0.41 -2.41 -0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1yup n PRO 48 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1yup s THR 49 N -1.38 4.67 0.38 3.45 -4.23 0.14 -4.83 115.64 113.85 1yup s THR 49 Ca 0.75 -0.52 0.07 0.00 -1.18 0.00 0.00 61.69 60.82 1yup s THR 49 Cb -0.42 -3.71 0.19 0.00 1.34 0.00 0.00 72.50 69.91 1yup s THR 49 CO 0.47 -0.46 1.94 -0.65 -0.54 0.00 0.00 174.62 175.38 1yup h PRO 50 N 0.65 0.40 0.00 3.99 0.11 -1.96 -0.87 132.00 134.32 1yup h PRO 50 Ca -0.48 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1yup h PRO 50 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1yup h PRO 50 CO 0.59 0.42 0.00 0.41 -0.21 0.00 0.00 178.00 179.21 1yup n GLY 51 N -1.05 -0.68 1.66 -0.55 0.00 -1.26 -4.89 105.19 98.43 1yup n GLY 51 Ca 0.01 -0.06 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 0.26 0.70 3.75 -0.02 0.00 -0.33 -5.00 105.19 104.55 1yup n GLY 52 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.27 4.10 -0.17 1.61 1.01 -1.26 -4.62 116.67 115.07 1yup s ASP 53 Ca 0.00 1.64 -0.00 0.00 0.71 0.00 0.00 52.55 54.90 1yup s ASP 53 Cb 0.00 -2.34 0.00 0.00 1.01 0.00 0.00 42.92 41.59 1yup s ASP 53 CO 0.00 -2.27 -0.15 -0.22 0.21 0.00 0.00 175.17 172.75 1yup s LEU 54 N -6.03 2.47 -0.14 1.23 0.20 -0.28 -0.68 118.68 115.44 1yup s LEU 54 Ca 0.62 -0.49 -0.18 0.00 0.69 0.00 0.00 54.13 54.77 1yup s LEU 54 Cb -0.17 -1.57 -0.04 0.00 -0.43 0.00 0.00 46.19 43.98 1yup s LEU 54 CO 0.56 0.06 0.47 -0.70 -0.29 0.00 0.00 176.35 176.45 1yup s GLU 55 N 0.99 4.29 -0.22 1.98 2.12 0.19 -0.15 118.70 127.91 1yup s GLU 55 Ca -0.02 0.41 -0.07 0.00 0.36 0.00 0.00 54.97 55.65 1yup s GLU 55 Cb -0.15 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 1yup s GLU 55 CO -0.03 0.08 0.07 0.42 -0.54 0.00 0.00 175.26 175.26 1yup s ILE 56 N 0.88 4.53 -0.22 -3.70 1.01 0.73 0.19 121.20 124.62 1yup s ILE 56 Ca 0.25 -0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.72 1yup s ILE 56 Cb -0.15 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 1yup s ILE 56 CO 0.10 0.38 0.05 -0.76 0.00 0.00 0.00 174.94 174.71 1yup s LEU 57 N 1.12 3.51 0.25 2.97 2.01 0.60 -1.78 118.68 127.35 1yup s LEU 57 Ca 0.04 -0.12 -0.06 0.00 0.01 0.00 0.00 54.13 54.00 1yup s LEU 57 Cb -0.14 -1.91 -0.02 0.00 0.01 0.00 0.00 46.19 44.13 1yup s LEU 57 CO 0.03 0.05 0.36 -1.48 1.01 0.00 0.00 176.35 176.31 1yup s LEU 58 N 1.13 0.77 0.06 1.79 0.05 -0.89 -0.17 118.68 121.41 1yup s LEU 58 Ca 0.04 -1.21 0.08 0.00 0.05 0.00 0.00 54.13 53.09 1yup s LEU 58 Cb -0.14 1.22 -0.03 0.00 -2.05 0.00 0.00 46.19 45.19 1yup s LEU 58 CO 0.03 -1.07 -0.22 -1.10 -0.55 0.00 0.00 176.35 173.44 1yup s GLN 59 N -3.87 1.44 -0.15 1.48 -0.21 -0.18 -1.09 119.66 117.09 1yup s GLN 59 Ca 0.30 -1.04 -0.10 0.00 0.02 0.00 0.00 55.36 54.54 1yup s GLN 59 Cb 0.02 -1.62 0.05 0.00 1.00 0.00 0.00 33.01 32.45 1yup s GLN 59 CO 0.13 0.41 0.37 0.21 -2.12 0.00 0.00 175.29 174.29 1yup s LYS 60 N -1.36 0.39 -0.20 2.91 2.20 -0.74 -1.14 119.74 121.80 1yup s LYS 60 Ca 0.09 0.63 -0.37 0.00 -0.36 0.00 0.00 55.97 55.96 1yup s LYS 60 Cb -0.09 0.07 -0.13 0.00 -1.51 0.00 0.00 37.83 36.16 1yup s LYS 60 CO 0.02 -0.11 1.86 0.91 -0.36 0.00 0.00 175.35 177.67 1yup n TRP 61 N 3.62 2.14 -0.03 4.03 7.02 -1.26 -2.21 117.44 130.76 1yup n TRP 61 Ca -0.19 0.25 -0.04 0.00 -1.02 0.00 0.00 57.50 56.50 1yup n TRP 61 Cb 0.56 -2.57 -0.01 0.00 -2.42 0.00 0.00 31.31 26.87 1yup n TRP 61 CO 0.00 0.00 0.00 -0.85 -2.02 0.00 0.00 177.69 174.82 1yup n GLU 62 N 6.30 0.26 -2.97 -0.99 0.28 -0.98 -4.90 120.64 117.64 1yup n GLU 62 Ca 0.26 0.10 -0.19 0.00 -0.16 0.00 0.00 57.16 57.18 1yup n GLU 62 Cb 0.22 -0.91 -0.02 0.00 1.43 0.00 0.00 31.44 32.15 1yup n GLU 62 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1yup n ASN 63 N -3.68 2.10 0.00 -1.84 3.02 -1.26 -4.87 115.26 108.74 1yup n ASN 63 Ca -0.07 -3.17 0.00 0.00 -0.03 0.00 0.00 54.58 51.31 1yup n ASN 63 Cb 0.26 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 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 0.03 1.46 3.24 7.41 0.00 -1.26 -5.01 105.19 111.06 1yup n GLY 64 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.11 1.01 0.24 1.61 2.20 -1.26 -5.11 119.74 118.32 1yup s LYS 65 Ca 0.00 -1.19 -0.30 0.00 -0.36 0.00 0.00 55.97 54.12 1yup s LYS 65 Cb 0.00 -0.96 -0.09 0.00 -1.51 0.00 0.00 37.83 35.27 1yup s LYS 65 CO 0.00 0.19 1.10 0.00 -0.36 0.00 0.00 175.35 176.28 1yup s ALA 67 N -0.80 0.30 0.15 0.00 0.00 -0.94 -4.94 121.76 115.53 1yup s ALA 67 Ca 0.46 -0.76 -0.26 0.00 0.00 0.00 0.00 51.96 51.41 1yup s ALA 67 Cb -0.31 0.15 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 1yup s ALA 67 CO 0.38 -0.17 0.80 -1.14 0.00 0.00 0.00 175.76 175.63 1yup s GLN 68 N -1.99 4.59 0.05 0.00 0.74 -1.26 -1.80 119.66 119.98 1yup s GLN 68 Ca -0.10 1.18 0.07 0.00 0.05 0.00 0.00 55.36 56.57 1yup s GLN 68 Cb -0.06 -3.29 -0.03 0.00 1.10 0.00 0.00 33.01 30.73 1yup s GLN 68 CO -0.02 0.50 -0.20 0.15 -0.55 0.00 0.00 175.29 175.16 1yup s LYS 69 N -0.90 1.36 -0.18 1.67 -0.14 -0.25 -4.95 119.74 116.34 1yup s LYS 69 Ca 0.37 -0.95 -0.00 0.00 -1.36 0.00 0.00 55.97 54.03 1yup s LYS 69 Cb -0.23 -1.47 0.01 0.00 -1.68 0.00 0.00 37.83 34.45 1yup s LYS 69 CO 0.26 0.37 -0.15 0.15 -0.76 0.00 0.00 175.35 175.23 1yup s LYS 70 N -1.22 3.15 -0.10 1.68 1.02 -1.26 -2.10 119.74 120.91 1yup s LYS 70 Ca 0.07 -0.76 0.03 0.00 0.02 0.00 0.00 55.97 55.34 1yup s LYS 70 Cb -0.09 -2.69 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 1yup s LYS 70 CO 0.02 -0.14 -0.21 0.42 -0.92 0.00 0.00 175.35 174.52 1yup s ILE 71 N 1.19 1.85 -0.22 2.17 1.01 -0.74 -4.99 121.20 121.48 1yup s ILE 71 Ca 0.02 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 59.63 1yup s ILE 71 Cb -0.14 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 1yup s ILE 71 CO -0.07 0.51 0.36 -0.63 0.00 0.00 0.00 174.94 175.11 1yup s ILE 72 N 0.50 5.22 -0.37 2.92 -1.09 -1.26 -0.19 121.20 126.92 1yup s ILE 72 Ca -0.16 0.60 -0.12 0.00 -2.23 0.00 0.00 60.65 58.74 1yup s ILE 72 Cb -0.17 -3.69 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 1yup s ILE 72 CO 0.06 0.25 0.23 0.00 -1.23 0.00 0.00 174.94 174.26 1yup s ALA 73 N 1.38 3.38 -0.06 9.38 0.00 0.79 -4.46 121.76 132.18 1yup s ALA 73 Ca 0.17 -1.61 -0.24 0.00 0.00 0.00 0.00 51.96 50.28 1yup s ALA 73 Cb -0.15 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 1yup s ALA 73 CO 0.08 -1.26 0.70 -1.21 0.00 0.00 0.00 175.76 174.07 1yup s GLU 74 N 1.63 4.44 0.74 0.00 2.02 0.56 -1.13 118.70 126.96 1yup s GLU 74 Ca 0.04 0.89 -0.13 0.00 0.02 0.00 0.00 54.97 55.79 1yup s GLU 74 Cb -0.18 -3.44 0.04 0.00 0.10 0.00 0.00 34.13 30.65 1yup s GLU 74 CO 0.08 0.08 1.13 -1.59 0.02 0.00 0.00 175.26 174.99 1yup s LYS 75 N 0.73 2.29 0.38 1.61 -2.85 -1.26 -0.91 119.74 119.73 1yup s LYS 75 Ca 0.38 1.44 0.04 0.00 -1.00 0.00 0.00 55.97 56.83 1yup s LYS 75 Cb -0.18 -1.88 -0.03 0.00 -2.06 0.00 0.00 37.83 33.68 1yup s LYS 75 CO 0.18 -1.66 0.16 0.95 0.10 0.00 0.00 175.35 175.08 1yup s THR 76 N -2.44 0.47 -0.46 3.79 -4.23 -1.22 -4.77 115.64 106.79 1yup s THR 76 Ca 0.67 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.42 1yup s THR 76 Cb -0.22 -2.40 0.25 0.00 1.34 0.00 0.00 72.50 71.47 1yup s THR 76 CO 0.48 0.00 1.71 -1.84 -0.54 0.00 0.00 174.62 174.43 1yup n GLU 77 N -0.82 0.19 -3.26 3.99 0.00 -1.26 -4.43 120.64 115.06 1yup n GLU 77 Ca -0.03 0.44 -0.39 0.00 0.00 0.00 0.00 57.16 57.18 1yup n GLU 77 Cb 0.64 -1.88 -0.07 0.00 0.00 0.00 0.00 31.44 30.13 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 -3.34 5.10 0.04 3.84 -1.09 -1.26 -5.02 121.20 119.47 1yup s ILE 78 Ca 0.04 0.89 -0.07 0.00 -2.23 0.00 0.00 60.65 59.27 1yup s ILE 78 Cb 0.09 -3.82 -0.02 0.00 -1.58 0.00 0.00 42.46 37.13 1yup s ILE 78 CO 0.38 0.14 0.95 -2.65 -1.23 0.00 0.00 174.94 172.52 1yup n PRO 79 N 5.14 -0.10 -1.68 2.79 -0.02 -1.26 -2.97 135.00 136.90 1yup n PRO 79 Ca -0.05 0.94 -0.32 0.00 -2.02 0.00 0.00 63.50 62.06 1yup n PRO 79 Cb 0.50 -1.40 0.05 0.00 -0.02 0.00 0.00 33.50 32.64 1yup n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yup n ALA 80 N -2.98 5.87 -3.81 3.55 0.00 -1.26 -4.77 120.51 117.11 1yup n ALA 80 Ca 0.00 -3.70 -0.26 0.00 0.00 0.00 0.00 53.44 49.48 1yup n ALA 80 Cb 0.06 -1.26 -0.17 0.00 0.00 0.00 0.00 19.45 18.08 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 -4.83 0.69 0.05 0.00 1.01 -1.16 -1.86 120.40 114.30 1yup s VAL 81 Ca 0.58 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.28 1yup s VAL 81 Cb 0.46 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1yup s VAL 81 CO -0.05 0.08 -0.12 -0.36 0.00 0.00 0.00 175.10 174.66 1yup s PHE 82 N 1.82 2.72 -0.03 5.22 0.40 -0.36 -3.39 117.98 124.35 1yup s PHE 82 Ca 0.02 -0.16 -0.22 0.00 -0.60 0.00 0.00 56.93 55.97 1yup s PHE 82 Cb -0.15 -1.50 -0.05 0.00 0.51 0.00 0.00 43.02 41.84 1yup s PHE 82 CO -0.07 0.35 0.65 0.15 0.70 0.00 0.00 175.22 176.99 1yup s LYS 83 N -1.68 4.39 0.22 0.44 1.02 -0.08 -1.76 119.74 122.28 1yup s LYS 83 Ca 0.18 0.81 0.06 0.00 0.02 0.00 0.00 55.97 57.03 1yup s LYS 83 Cb -0.11 -3.39 -0.05 0.00 -0.52 0.00 0.00 37.83 33.76 1yup s LYS 83 CO 0.09 0.22 -0.08 0.96 -0.92 0.00 0.00 175.35 175.61 1yup s ILE 84 N 0.28 1.44 -0.46 2.17 -4.36 -1.09 -0.32 121.20 118.87 1yup s ILE 84 Ca 0.34 -2.12 0.06 0.00 -0.26 0.00 0.00 60.65 58.67 1yup s ILE 84 Cb -0.18 -2.17 0.21 0.00 1.25 0.00 0.00 42.46 41.57 1yup s ILE 84 CO 0.18 -0.49 0.47 -0.67 0.24 0.00 0.00 174.94 174.67 1yup n ASP 85 N -0.40 0.59 -3.50 4.36 -0.08 -1.26 -4.11 116.55 112.15 1yup n ASP 85 Ca -0.07 -2.70 -0.09 0.00 -1.51 0.00 0.00 54.79 50.42 1yup n ASP 85 Cb 0.62 -0.62 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 1yup n ASP 85 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1yup s ALA 86 N -0.87 -1.80 -1.11 -1.67 0.00 -1.16 -4.94 121.76 110.20 1yup s ALA 86 Ca 0.34 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1yup s ALA 86 Cb 0.10 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.68 1yup s ALA 86 CO -0.14 -0.70 0.00 1.28 0.00 0.00 0.00 175.76 176.20 1yup n LEU 87 N -0.26 -1.12 0.00 0.00 4.77 -1.26 -1.31 117.00 117.82 1yup n LEU 87 Ca -0.10 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1yup n LEU 87 Cb 0.62 -2.12 0.00 0.00 -2.33 0.00 0.00 43.42 39.59 1yup n LEU 87 CO 0.11 -0.22 0.00 0.59 -1.33 0.00 0.00 177.39 176.54 1yup n ASN 88 N -1.57 -3.82 -4.90 -1.43 3.02 -1.26 -4.95 115.26 100.34 1yup n ASN 88 Ca -0.14 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.10 1yup n ASN 88 Cb 0.58 -3.09 -0.04 0.00 -0.61 0.00 0.00 39.78 36.61 1yup n ASN 88 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1yup s GLU 89 N -1.62 3.62 0.00 3.52 0.41 -0.43 -4.59 118.70 119.62 1yup s GLU 89 Ca 0.00 -0.08 0.01 0.00 -0.41 0.00 0.00 54.97 54.48 1yup s GLU 89 Cb 0.00 -2.81 0.01 0.00 -1.78 0.00 0.00 34.13 29.55 1yup s GLU 89 CO 0.00 0.43 0.77 0.27 -0.49 0.00 0.00 175.26 176.23 1yup n ASN 90 N -0.11 1.55 -3.71 -0.19 6.94 0.01 -2.97 115.26 116.79 1yup n ASN 90 Ca -0.02 -1.51 -0.14 0.00 -0.02 0.00 0.00 54.58 52.88 1yup n ASN 90 Cb 0.52 -0.01 -0.08 0.00 -2.36 0.00 0.00 39.78 37.85 1yup n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1yup s LYS 91 N -0.53 0.71 -0.05 -3.83 1.02 -0.41 -2.66 119.74 114.00 1yup s LYS 91 Ca 0.01 0.02 0.05 0.00 0.02 0.00 0.00 55.97 56.07 1yup s LYS 91 Cb 0.01 0.33 -0.00 0.00 -0.52 0.00 0.00 37.83 37.64 1yup s LYS 91 CO 0.01 -0.19 -0.19 0.08 -0.92 0.00 0.00 175.35 174.14 1yup s VAL 92 N -1.05 1.58 -0.21 3.17 1.01 -0.72 -1.66 120.40 122.52 1yup s VAL 92 Ca -0.11 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1yup s VAL 92 Cb -0.04 -1.35 0.06 0.00 0.00 0.00 0.00 36.38 35.05 1yup s VAL 92 CO 0.05 0.45 -0.03 -0.76 0.00 0.00 0.00 175.10 174.81 1yup s LEU 93 N -0.01 1.94 -0.36 3.92 2.01 0.11 -1.22 118.68 125.07 1yup s LEU 93 Ca -0.04 -0.95 -0.27 0.00 0.01 0.00 0.00 54.13 52.88 1yup s LEU 93 Cb -0.12 -0.95 0.02 0.00 0.01 0.00 0.00 46.19 45.15 1yup s LEU 93 CO 0.03 -0.24 0.97 -0.69 1.01 0.00 0.00 176.35 177.42 1yup s VAL 94 N 1.59 4.55 0.01 -1.59 1.01 -0.78 -0.60 120.40 124.59 1yup s VAL 94 Ca -0.03 1.33 -0.16 0.00 0.00 0.00 0.00 61.98 63.12 1yup s VAL 94 Cb -0.18 -4.36 -0.35 0.00 0.00 0.00 0.00 36.38 31.49 1yup s VAL 94 CO -0.07 -0.54 0.94 -0.07 0.00 0.00 0.00 175.10 175.36 1yup h LEU 95 N 10.12 0.80 -7.00 3.92 4.07 -0.26 -2.61 115.31 124.35 1yup h LEU 95 Ca -0.23 -0.92 0.03 0.00 0.08 0.00 0.00 57.88 56.84 1yup h LEU 95 Cb 1.07 -0.26 -0.23 0.00 1.08 0.00 0.00 40.66 42.32 1yup h LEU 95 CO 1.00 1.71 0.38 -0.62 -1.08 0.00 0.00 178.44 179.82 1yup s ASP 96 N -7.51 -0.52 0.02 -0.43 2.15 -1.11 -3.31 116.67 105.96 1yup s ASP 96 Ca -0.10 0.82 -0.23 0.00 0.43 0.00 0.00 52.55 53.47 1yup s ASP 96 Cb 0.04 0.77 0.05 0.00 -0.30 0.00 0.00 42.92 43.49 1yup s ASP 96 CO 0.93 -0.30 0.53 0.28 -0.17 0.00 0.00 175.17 176.44 1yup s THR 97 N -0.34 0.03 -1.14 1.71 -1.32 -1.26 -0.75 115.64 112.55 1yup s THR 97 Ca -0.01 -0.22 0.10 0.00 -1.21 0.00 0.00 61.69 60.35 1yup s THR 97 Cb -0.03 -0.94 0.15 0.00 -1.51 0.00 0.00 72.50 70.17 1yup s THR 97 CO -0.00 -0.12 0.96 -0.90 -2.21 0.00 0.00 174.62 172.35 1yup n ASP 98 N 0.60 2.18 0.00 8.08 5.75 -1.15 -5.01 116.55 127.01 1yup n ASP 98 Ca -0.19 -1.62 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 1yup n ASP 98 Cb 0.59 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 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 0.53 0.00 -0.04 2.11 4.01 -1.25 -4.63 117.16 117.89 1yup n TYR 99 Ca 0.08 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.83 1yup n TYR 99 Cb 0.31 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.19 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 0.78 0.00 -0.72 4.76 -1.26 -4.78 118.16 116.94 1yup n LYS 100 Ca 0.00 -0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1yup n LYS 100 Cb 0.00 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.72 1yup n LYS 100 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1yup n LYS 101 N -2.40 0.01 -3.88 1.97 4.81 -1.26 -4.79 118.16 112.63 1yup n LYS 101 Ca -0.15 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.19 1yup n LYS 101 Cb 0.76 -0.84 -0.09 0.00 0.02 0.00 0.00 35.03 34.89 1yup n LYS 101 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1yup s TYR 102 N -1.67 0.13 -0.04 5.64 1.13 -1.26 -2.85 117.35 118.43 1yup s TYR 102 Ca 0.00 -0.41 -0.02 0.00 -1.41 0.00 0.00 57.07 55.22 1yup s TYR 102 Cb 0.00 -0.08 0.02 0.00 -1.10 0.00 0.00 41.96 40.80 1yup s TYR 102 CO 0.00 -0.42 0.09 -1.17 -2.51 0.00 0.00 175.55 171.54 1yup s LEU 103 N -2.21 1.29 -0.19 -3.49 0.20 -0.92 -2.92 118.68 110.44 1yup s LEU 103 Ca -0.04 0.17 0.00 0.00 0.69 0.00 0.00 54.13 54.96 1yup s LEU 103 Cb -0.00 0.23 0.02 0.00 -0.43 0.00 0.00 46.19 46.00 1yup s LEU 103 CO -0.05 -0.08 -0.18 -0.76 -0.29 0.00 0.00 176.35 174.99 1yup s LEU 104 N 0.58 2.28 0.26 -0.68 1.43 0.07 -0.56 118.68 122.05 1yup s LEU 104 Ca -0.04 -0.65 0.02 0.00 -1.03 0.00 0.00 54.13 52.42 1yup s LEU 104 Cb -0.06 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 1yup s LEU 104 CO -0.02 -0.01 0.07 0.72 0.23 0.00 0.00 176.35 177.33 1yup s PHE 105 N 1.30 1.57 0.06 0.29 -0.71 -1.04 0.44 117.98 119.90 1yup s PHE 105 Ca 0.04 -1.10 0.02 0.00 -1.04 0.00 0.00 56.93 54.86 1yup s PHE 105 Cb -0.13 -0.94 -0.03 0.00 -1.21 0.00 0.00 43.02 40.71 1yup s PHE 105 CO -0.12 -0.23 -0.08 0.00 -1.34 0.00 0.00 175.22 173.45 1yup s MET 107 N -2.22 1.02 0.19 0.00 0.23 0.18 -0.72 119.30 117.98 1yup s MET 107 Ca -0.03 -0.94 -0.24 0.00 -1.03 0.00 0.00 55.69 53.46 1yup s MET 107 Cb -0.06 -1.11 0.05 0.00 -1.53 0.00 0.00 34.83 32.19 1yup s MET 107 CO -0.01 0.26 0.82 -1.83 -2.03 0.00 0.00 175.02 172.23 1yup s GLU 108 N -1.50 1.40 -0.29 3.16 -1.05 -0.67 -1.31 118.70 118.44 1yup s GLU 108 Ca 0.03 -0.73 -0.06 0.00 -0.15 0.00 0.00 54.97 54.06 1yup s GLU 108 Cb -0.09 0.50 0.02 0.00 -0.44 0.00 0.00 34.13 34.12 1yup s GLU 108 CO 0.02 -0.63 0.06 1.21 0.95 0.00 0.00 175.26 176.87 1yup s ASN 109 N -2.86 5.03 0.48 0.83 3.84 -1.26 -0.81 114.94 120.19 1yup s ASN 109 Ca 0.10 -0.80 0.23 0.00 0.21 0.00 0.00 52.86 52.60 1yup s ASN 109 Cb -0.03 -1.84 1.27 0.00 -0.55 0.00 0.00 41.25 40.10 1yup s ASN 109 CO 0.01 -0.20 1.90 0.28 -2.79 0.00 0.00 177.10 176.30 1yup h SER 110 N 8.19 0.19 0.62 -4.21 0.02 -1.94 -0.30 113.55 116.13 1yup h SER 110 Ca -0.30 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.59 1yup h SER 110 Cb 1.12 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1yup h SER 110 CO 0.60 0.08 -0.35 0.00 -1.14 0.00 0.00 176.83 176.02 1yup h ALA 111 N 1.62 1.14 -2.00 3.77 0.00 -1.99 -3.35 119.26 118.45 1yup h ALA 111 Ca 0.40 -0.32 -0.51 0.00 0.00 0.00 0.00 54.91 54.48 1yup h ALA 111 Cb 1.28 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.62 1yup h ALA 111 CO -0.08 0.44 -1.16 -1.91 0.00 0.00 0.00 179.25 176.54 1yup n GLU 112 N -3.72 0.87 -0.24 0.00 0.00 -0.16 -5.02 120.64 112.36 1yup n GLU 112 Ca -0.01 -3.32 0.15 0.00 0.00 0.00 0.00 57.16 53.98 1yup n GLU 112 Cb 0.45 -1.51 0.45 0.00 0.00 0.00 0.00 31.44 30.82 1yup n GLU 112 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 1yup h PRO 113 N 3.41 0.53 0.09 5.31 0.11 -1.61 -2.50 132.00 137.33 1yup h PRO 113 Ca 0.09 -0.03 -0.28 0.00 0.11 0.00 0.00 66.00 65.88 1yup h PRO 113 Cb 0.93 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 1yup h PRO 113 CO 0.48 0.35 -1.42 0.93 -0.21 0.00 0.00 178.00 178.13 1yup h GLU 114 N 0.54 0.19 0.00 1.05 5.08 -1.95 -2.59 114.58 116.90 1yup h GLU 114 Ca 0.45 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1yup h GLU 114 Cb 0.91 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1yup h GLU 114 CO -0.19 1.05 0.00 1.04 -1.00 0.00 0.00 179.01 179.91 1yup n GLN 115 N -3.41 0.02 0.00 2.33 1.13 -0.97 -3.99 117.38 112.49 1yup n GLN 115 Ca -0.13 0.27 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 1yup n GLN 115 Cb 1.02 -1.54 0.00 0.00 0.11 0.00 0.00 30.24 29.84 1yup n GLN 115 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1yup n SER 116 N -1.57 0.75 -4.67 1.08 2.88 -1.07 -4.72 113.62 106.30 1yup n SER 116 Ca 0.03 -0.28 -0.43 0.00 -1.33 0.00 0.00 58.87 56.87 1yup n SER 116 Cb 0.17 0.71 -0.02 0.00 -0.75 0.00 0.00 64.21 64.32 1yup n SER 116 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1yup s LEU 117 N -1.57 4.23 0.01 2.46 2.96 -0.98 -4.27 118.68 121.52 1yup s LEU 117 Ca 0.00 1.78 0.04 0.00 -0.22 0.00 0.00 54.13 55.72 1yup s LEU 117 Cb 0.00 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.13 1yup s LEU 117 CO 0.00 -0.68 -0.12 0.00 -1.32 0.00 0.00 176.35 174.22 1yup s ALA 118 N 2.89 1.03 -0.00 5.97 0.00 -0.43 -0.99 121.76 130.23 1yup s ALA 118 Ca 0.56 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.93 1yup s ALA 118 Cb -0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1yup s ALA 118 CO 0.19 0.23 -0.09 0.00 0.00 0.00 0.00 175.76 176.09 1yup s GLN 120 N -0.33 1.65 -0.39 0.00 -0.21 -0.59 -0.67 119.66 119.12 1yup s GLN 120 Ca 0.02 -1.74 -0.02 0.00 0.02 0.00 0.00 55.36 53.64 1yup s GLN 120 Cb -0.04 -1.75 0.10 0.00 1.00 0.00 0.00 33.01 32.33 1yup s GLN 120 CO -0.00 0.33 0.17 0.00 -2.12 0.00 0.00 175.29 173.67 1yup s LEU 122 N 1.13 4.28 0.16 0.00 1.43 0.28 -1.07 118.68 124.89 1yup s LEU 122 Ca 0.07 1.39 0.05 0.00 -1.03 0.00 0.00 54.13 54.61 1yup s LEU 122 Cb -0.22 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.26 1yup s LEU 122 CO -0.04 -0.02 -0.12 0.68 0.23 0.00 0.00 176.35 177.08 1yup s VAL 123 N -1.63 1.34 0.11 -1.59 -7.23 0.18 -2.17 120.40 109.41 1yup s VAL 123 Ca 0.45 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.58 1yup s VAL 123 Cb -0.15 -1.86 -0.24 0.00 0.56 0.00 0.00 36.38 34.70 1yup s VAL 123 CO 0.20 -0.67 1.23 0.03 -0.31 0.00 0.00 175.10 175.58 1yup h ARG 124 N 2.82 0.16 -6.20 4.82 2.47 -1.76 0.71 114.38 117.40 1yup h ARG 124 Ca -0.37 -0.26 -0.57 0.00 -1.26 0.00 0.00 59.98 57.52 1yup h ARG 124 Cb 1.20 0.09 -0.18 0.00 -1.65 0.00 0.00 29.97 29.43 1yup h ARG 124 CO 0.61 1.10 -0.80 0.95 0.56 0.00 0.00 179.97 182.39 1yup s THR 125 N -2.76 2.02 -1.32 2.04 -4.23 -1.26 -4.59 115.64 105.54 1yup s THR 125 Ca -0.02 -1.95 -0.10 0.00 -1.18 0.00 0.00 61.69 58.44 1yup s THR 125 Cb 0.09 -1.94 -0.07 0.00 1.34 0.00 0.00 72.50 71.92 1yup s THR 125 CO 0.85 -0.23 2.54 -0.81 -0.54 0.00 0.00 174.62 176.43 1yup n PRO 126 N 0.30 2.93 -3.77 3.99 -0.04 -1.26 -4.82 135.00 132.34 1yup n PRO 126 Ca -0.13 -1.97 -0.13 0.00 -0.04 0.00 0.00 63.50 61.23 1yup n PRO 126 Cb 0.57 -2.74 -0.10 0.00 -0.04 0.00 0.00 33.50 31.19 1yup n PRO 126 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1yup s GLU 127 N 2.87 0.48 -0.34 0.54 1.03 -1.26 -4.49 118.70 117.54 1yup s GLU 127 Ca 0.56 0.20 -0.27 0.00 0.03 0.00 0.00 54.97 55.49 1yup s GLU 127 Cb 0.15 0.22 -0.05 0.00 -0.80 0.00 0.00 34.13 33.65 1yup s GLU 127 CO -0.04 -0.09 2.18 0.54 -1.33 0.00 0.00 175.26 176.51 1yup s VAL 128 N -0.39 3.11 -0.48 1.83 0.11 -1.26 -4.95 120.40 118.36 1yup s VAL 128 Ca -0.05 0.10 -0.15 0.00 -2.93 0.00 0.00 61.98 58.94 1yup s VAL 128 Cb -0.03 -3.17 0.08 0.00 -1.53 0.00 0.00 36.38 31.72 1yup s VAL 128 CO 0.02 -0.13 0.41 -0.62 -3.33 0.00 0.00 175.10 171.45 1yup s ASP 129 N 9.00 6.13 0.48 3.54 2.15 -1.26 -4.96 116.67 131.74 1yup s ASP 129 Ca 0.94 -1.43 0.20 0.00 0.43 0.00 0.00 52.55 52.70 1yup s ASP 129 Cb -0.26 -2.18 1.18 0.00 -0.30 0.00 0.00 42.92 41.37 1yup s ASP 129 CO 0.31 -0.68 2.02 0.44 -0.17 0.00 0.00 175.17 177.09 1yup h ASP 130 N 8.77 0.00 -0.53 -0.34 3.32 -1.99 -1.49 116.42 124.15 1yup h ASP 130 Ca -0.28 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.70 1yup h ASP 130 Cb 1.11 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 1yup h ASP 130 CO 0.91 0.17 0.07 -0.08 -1.72 0.00 0.00 179.24 178.58 1yup h GLU 131 N 0.00 0.89 -0.52 3.56 4.81 -2.00 -2.47 114.58 118.85 1yup h GLU 131 Ca -0.00 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 58.89 1yup h GLU 131 Cb 0.35 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1yup h GLU 131 CO 0.02 0.88 -0.01 0.00 -0.73 0.00 0.00 179.01 179.17 1yup h ALA 132 N 0.98 1.00 0.00 2.92 0.00 -1.70 -2.93 119.26 119.52 1yup h ALA 132 Ca 0.16 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1yup h ALA 132 Cb 0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1yup h ALA 132 CO 0.01 0.61 -0.18 0.52 0.00 0.00 0.00 179.25 180.21 1yup h MET 133 N 0.82 0.00 0.12 0.00 2.86 -1.29 -0.99 114.93 116.45 1yup h MET 133 Ca 0.15 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.49 1yup h MET 133 Cb 0.51 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 1yup h MET 133 CO 0.03 0.18 -1.47 0.93 1.06 0.00 0.00 176.91 177.64 1yup h GLU 134 N 0.00 0.26 0.00 1.72 3.07 -1.30 0.11 114.58 118.44 1yup h GLU 134 Ca -0.00 -0.44 -0.10 0.00 -0.50 0.00 0.00 59.36 58.32 1yup h GLU 134 Cb 0.45 0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 1yup h GLU 134 CO 0.02 1.14 -0.49 0.87 -1.40 0.00 0.00 179.01 179.15 1yup h LYS 135 N 0.07 0.00 -0.11 2.33 1.57 -1.45 -1.74 116.57 117.25 1yup h LYS 135 Ca -0.22 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.45 1yup h LYS 135 Cb 2.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.32 1yup h LYS 135 CO 0.17 0.49 -0.38 0.35 -0.57 0.00 0.00 179.45 179.51 1yup h PHE 136 N 0.00 0.59 -0.62 -1.35 3.57 -1.09 -2.66 116.94 115.37 1yup h PHE 136 Ca -0.00 -0.24 -0.02 0.00 3.53 0.00 0.00 57.97 61.23 1yup h PHE 136 Cb 1.03 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 1yup h PHE 136 CO 0.00 0.99 0.30 -0.44 -2.23 0.00 0.00 178.31 176.93 1yup h ASP 137 N 0.02 0.79 -0.31 0.41 3.32 -0.72 -1.53 116.42 118.40 1yup h ASP 137 Ca -0.02 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 1yup h ASP 137 Cb 1.01 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1yup h ASP 137 CO 0.08 0.67 -0.09 0.50 -1.72 0.00 0.00 179.24 178.68 1yup h LYS 138 N 0.88 0.61 -0.36 3.56 3.64 -1.35 -1.40 116.57 122.15 1yup h LYS 138 Ca 0.22 -0.24 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 1yup h LYS 138 Cb 0.09 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1yup h LYS 138 CO -0.03 0.80 -0.13 0.00 -2.27 0.00 0.00 179.45 177.82 1yup h ALA 139 N 0.79 1.11 -0.08 5.00 0.00 -1.31 -2.90 119.26 121.87 1yup h ALA 139 Ca 0.08 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1yup h ALA 139 Cb 0.58 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1yup h ALA 139 CO 0.03 0.55 -0.34 -0.07 0.00 0.00 0.00 179.25 179.42 1yup h LEU 140 N 0.57 0.16 -1.59 0.00 4.07 -0.95 -3.12 115.31 114.45 1yup h LEU 140 Ca 0.10 -0.06 -0.04 0.00 0.08 0.00 0.00 57.88 57.97 1yup h LEU 140 Cb 0.56 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1yup h LEU 140 CO 0.04 0.50 -0.13 0.11 -1.08 0.00 0.00 178.44 177.87 1yup h LYS 141 N 0.14 0.10 0.00 1.13 6.56 -1.05 -1.37 116.57 122.07 1yup h LYS 141 Ca 0.02 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1yup h LYS 141 Cb 0.68 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.32 1yup h LYS 141 CO 0.05 0.24 -0.58 0.00 -2.06 0.00 0.00 179.45 177.09 1yup n ALA 142 N -2.50 3.73 -2.86 3.86 0.00 -1.18 -4.92 120.51 116.64 1yup n ALA 142 Ca -0.02 -0.39 -0.33 0.00 0.00 0.00 0.00 53.44 52.70 1yup n ALA 142 Cb 0.23 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 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 -3.01 4.19 -1.31 0.00 1.43 -0.52 -4.71 118.68 114.75 1yup s LEU 143 Ca 0.10 0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 53.34 1yup s LEU 143 Cb 0.17 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1yup s LEU 143 CO 0.73 0.27 2.35 -0.81 0.23 0.00 0.00 176.35 179.11 1yup n PRO 144 N 1.02 2.72 -3.55 1.29 -0.04 -1.26 -4.93 135.00 130.25 1yup n PRO 144 Ca -0.12 -2.22 -0.38 0.00 -0.04 0.00 0.00 63.50 60.75 1yup n PRO 144 Cb 0.53 -3.00 -0.06 0.00 -0.04 0.00 0.00 33.50 30.93 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 3.30 3.89 0.00 0.54 -1.94 -1.26 -4.32 119.30 119.51 1yup s MET 145 Ca 0.54 0.30 0.00 0.00 -1.71 0.00 0.00 55.69 54.82 1yup s MET 145 Cb 0.15 -3.24 0.00 0.00 2.01 0.00 0.00 34.83 33.74 1yup s MET 145 CO -0.04 0.64 0.51 0.72 -0.01 0.00 0.00 175.02 176.85 1yup n HIS 146 N 2.08 0.00 -3.76 -0.03 8.25 -0.81 -4.95 115.22 116.00 1yup n HIS 146 Ca -0.14 -0.02 -0.13 0.00 -0.26 0.00 0.00 57.72 57.17 1yup n HIS 146 Cb 0.53 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.04 0.01 0.06 1.59 2.07 -1.06 -4.76 121.20 119.07 1yup s ILE 147 Ca 0.00 -0.12 0.03 0.00 -1.41 0.00 0.00 60.65 59.15 1yup s ILE 147 Cb 0.00 -0.52 -0.03 0.00 0.13 0.00 0.00 42.46 42.04 1yup s ILE 147 CO 0.00 -0.07 -0.09 -0.13 -1.91 0.00 0.00 174.94 172.74 1yup s ARG 148 N -0.20 0.64 0.00 3.50 0.52 -1.26 -2.03 118.95 120.13 1yup s ARG 148 Ca -0.03 -0.88 0.01 0.00 -0.52 0.00 0.00 55.73 54.31 1yup s ARG 148 Cb -0.03 -0.43 -0.00 0.00 0.52 0.00 0.00 34.95 35.00 1yup s ARG 148 CO 0.01 0.08 -0.03 -0.51 0.02 0.00 0.00 175.30 174.87 1yup s LEU 149 N -1.79 2.02 0.09 2.53 1.43 0.15 -4.97 118.68 118.15 1yup s LEU 149 Ca -0.05 -0.08 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 1yup s LEU 149 Cb -0.08 -0.14 -0.03 0.00 0.03 0.00 0.00 46.19 45.96 1yup s LEU 149 CO 0.00 0.02 -0.14 -0.44 0.23 0.00 0.00 176.35 176.02 1yup s SER 150 N -0.16 1.81 0.12 2.29 0.01 -1.26 -0.54 113.70 115.97 1yup s SER 150 Ca 0.00 -0.72 0.11 0.00 1.31 0.00 0.00 55.95 56.65 1yup s SER 150 Cb -0.02 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.12 1yup s SER 150 CO -0.00 -0.12 -0.26 -0.36 0.41 0.00 0.00 173.24 172.91 1yup s PHE 151 N -1.73 2.27 0.94 2.43 0.08 -0.17 -4.99 117.98 116.82 1yup s PHE 151 Ca 0.03 -0.38 -0.11 0.00 0.12 0.00 0.00 56.93 56.59 1yup s PHE 151 Cb -0.07 -1.23 0.16 0.00 -0.57 0.00 0.00 43.02 41.30 1yup s PHE 151 CO 0.02 0.32 1.10 -0.80 -0.10 0.00 0.00 175.22 175.77 1yup s ASN 152 N -2.01 2.84 0.45 1.36 0.02 -1.26 -4.82 114.94 111.52 1yup s ASN 152 Ca 0.13 1.88 0.13 0.00 -1.02 0.00 0.00 52.86 53.98 1yup s ASN 152 Cb -0.10 -2.44 1.05 0.00 0.02 0.00 0.00 41.25 39.78 1yup s ASN 152 CO 0.06 -3.10 2.05 -0.65 0.02 0.00 0.00 177.10 175.48 1yup h PRO 153 N -1.87 0.33 -0.14 -0.60 0.11 -1.95 -2.04 132.00 125.83 1yup h PRO 153 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1yup h PRO 153 Cb 1.28 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1yup h PRO 153 CO 0.47 0.22 0.08 1.15 -0.21 0.00 0.00 178.00 179.71 1yup h THR 154 N 0.34 1.08 0.00 -1.15 2.02 -1.93 -2.73 112.91 110.54 1yup h THR 154 Ca 0.16 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1yup h THR 154 Cb 0.21 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1yup h THR 154 CO -0.04 0.08 -0.10 1.56 0.37 0.00 0.00 175.52 177.39 1yup h GLN 155 N 0.15 0.00 0.00 6.66 4.20 -1.86 -2.88 115.11 121.38 1yup h GLN 155 Ca 0.05 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.49 1yup h GLN 155 Cb 0.05 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.79 1yup h GLN 155 CO -0.01 0.10 -1.65 -0.07 -0.67 0.00 0.00 178.83 176.53 1yup h LEU 156 N 0.00 0.00 -0.54 1.46 3.38 -1.25 -2.62 115.31 115.74 1yup h LEU 156 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1yup h LEU 156 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1yup h LEU 156 CO 0.01 0.94 -0.40 -0.33 0.09 0.00 0.00 178.44 178.76 1yup h GLU 157 N 0.00 0.74 -1.92 1.13 5.08 -1.48 -3.28 114.58 114.85 1yup h GLU 157 Ca -0.26 -0.38 -0.72 0.00 -1.00 0.00 0.00 59.36 56.99 1yup h GLU 157 Cb 1.95 0.01 -0.32 0.00 0.50 0.00 0.00 28.75 30.90 1yup h GLU 157 CO 0.08 1.00 0.53 -0.85 -1.00 0.00 0.00 179.01 178.76 1yup n GLU 158 N -4.04 3.23 -1.80 2.33 0.00 -1.09 -5.04 120.64 114.23 1yup n GLU 158 Ca -0.02 -3.96 -0.41 0.00 0.00 0.00 0.00 57.16 52.77 1yup n GLU 158 Cb 0.53 -2.28 -0.01 0.00 0.00 0.00 0.00 31.44 29.68 1yup n GLU 158 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 1yup s GLN 159 N -3.94 4.13 0.00 3.44 0.74 -0.99 -4.84 119.66 118.20 1yup s GLN 159 Ca 0.49 2.56 0.00 0.00 0.05 0.00 0.00 55.36 58.46 1yup s GLN 159 Cb 0.40 -3.01 0.00 0.00 1.10 0.00 0.00 33.01 31.49 1yup s GLN 159 CO -0.32 -0.59 0.00 0.00 -0.55 0.00 0.00 175.29 173.83