#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yup s LEU 10 N 0.00 4.43 -0.50 0.64 2.96 -1.26 -5.02 118.68 119.93 1yup s LEU 10 Ca 0.00 2.49 -0.04 0.00 -0.22 0.00 0.00 54.13 56.37 1yup s LEU 10 Cb 0.00 -3.62 0.13 0.00 0.50 0.00 0.00 46.19 43.20 1yup s LEU 10 CO 0.00 -0.50 0.32 -0.62 -1.32 0.00 0.00 176.35 174.23 1yup s ASP 11 N -0.04 5.33 0.59 3.68 -1.08 -1.26 -4.90 116.67 118.99 1yup s ASP 11 Ca 0.53 -2.33 0.36 0.00 -0.52 0.00 0.00 52.55 50.59 1yup s ASP 11 Cb -0.37 -1.87 1.76 0.00 -1.46 0.00 0.00 42.92 40.98 1yup s ASP 11 CO 0.43 -0.50 2.14 0.58 0.52 0.00 0.00 175.17 178.34 1yup h VAL 12 N 5.91 0.10 0.00 1.11 2.07 -1.95 -1.26 116.25 122.23 1yup h VAL 12 Ca -0.09 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 1yup h VAL 12 Cb 1.02 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1yup h VAL 12 CO 0.72 0.02 -0.18 1.56 0.02 0.00 0.00 177.57 179.72 1yup h GLN 13 N 0.00 0.00 0.00 1.57 1.08 -1.93 -2.74 115.11 113.08 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 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1yup h GLN 13 CO 0.00 0.18 -0.27 1.63 -0.95 0.00 0.00 178.83 179.42 1yup n LYS 14 N -3.31 0.13 -0.02 1.46 5.02 -0.47 -3.32 118.16 117.65 1yup n LYS 14 Ca 0.00 0.07 0.13 0.00 -2.02 0.00 0.00 58.31 56.49 1yup n LYS 14 Cb 0.42 -1.61 0.60 0.00 -0.02 0.00 0.00 35.03 34.42 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 -1.81 0.04 -1.85 -0.18 0.24 -1.03 -4.78 118.33 108.97 1yup n VAL 15 Ca 0.05 -0.18 -0.38 0.00 -2.04 0.00 0.00 64.34 61.80 1yup n VAL 15 Cb 0.38 0.12 0.04 0.00 -1.47 0.00 0.00 33.84 32.91 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 -1.96 2.79 0.00 2.33 0.00 -1.21 -4.64 121.76 119.07 1yup s ALA 16 Ca 0.38 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.60 1yup s ALA 16 Cb 0.19 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1yup s ALA 16 CO 0.31 -1.30 0.00 0.41 0.00 0.00 0.00 175.76 175.18 1yup n GLY 17 N 0.70 0.18 3.76 0.00 0.00 -0.14 -4.92 105.19 104.77 1yup n GLY 17 Ca 0.11 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.81 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 5.33 0.24 2.61 2.01 -1.26 -0.42 115.64 124.15 1yup s THR 18 Ca 0.00 0.47 0.01 0.00 0.31 0.00 0.00 61.69 62.48 1yup s THR 18 Cb 0.00 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 1yup s THR 18 CO 0.00 0.44 0.08 0.26 -0.69 0.00 0.00 174.62 174.71 1yup s TRP 19 N 0.12 1.46 -0.03 4.92 0.52 -0.51 -4.60 118.94 120.83 1yup s TRP 19 Ca 0.15 -1.15 0.02 0.00 0.02 0.00 0.00 56.10 55.14 1yup s TRP 19 Cb -0.13 -0.84 0.01 0.00 -1.15 0.00 0.00 33.47 31.36 1yup s TRP 19 CO 0.04 -0.31 -0.05 0.71 0.02 0.00 0.00 176.95 177.35 1yup s TYR 20 N -3.74 0.66 -0.49 -1.98 1.51 0.04 -4.06 117.35 109.29 1yup s TYR 20 Ca 0.35 -0.15 -0.29 0.00 -1.01 0.00 0.00 57.07 55.97 1yup s TYR 20 Cb 0.07 -0.53 0.02 0.00 -0.11 0.00 0.00 41.96 41.42 1yup s TYR 20 CO 0.11 -0.10 1.23 -1.12 -1.11 0.00 0.00 175.55 174.56 1yup s SER 21 N 0.42 6.50 0.09 2.29 0.01 -1.26 -1.15 113.70 120.61 1yup s SER 21 Ca -0.05 0.48 0.08 0.00 1.31 0.00 0.00 55.95 57.76 1yup s SER 21 Cb -0.09 -2.55 -0.21 0.00 0.21 0.00 0.00 66.02 63.38 1yup s SER 21 CO -0.00 -1.36 1.18 0.25 0.41 0.00 0.00 173.24 173.72 1yup h LEU 22 N 11.69 0.01 -7.00 2.44 6.46 -1.25 -3.45 115.31 124.20 1yup h LEU 22 Ca -0.25 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.53 1yup h LEU 22 Cb 1.07 -0.00 -0.20 0.00 -0.73 0.00 0.00 40.66 40.80 1yup h LEU 22 CO 1.13 1.01 0.37 0.00 -0.62 0.00 0.00 178.44 180.33 1yup s ALA 23 N -2.69 -1.83 0.05 1.25 0.00 -1.18 -0.74 121.76 116.61 1yup s ALA 23 Ca 0.00 1.33 -0.11 0.00 0.00 0.00 0.00 51.96 53.18 1yup s ALA 23 Cb 0.10 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1yup s ALA 23 CO 0.82 -0.41 0.24 -1.64 0.00 0.00 0.00 175.76 174.77 1yup s MET 24 N -1.57 0.76 -0.18 0.00 1.00 -0.26 -1.73 119.30 117.31 1yup s MET 24 Ca -0.04 -0.61 -0.16 0.00 0.00 0.00 0.00 55.69 54.88 1yup s MET 24 Cb -0.00 0.32 0.05 0.00 0.00 0.00 0.00 34.83 35.19 1yup s MET 24 CO 0.03 -0.23 0.47 0.00 0.00 0.00 0.00 175.02 175.28 1yup s ALA 25 N -2.69 -1.16 0.33 3.03 0.00 0.05 -1.05 121.76 120.27 1yup s ALA 25 Ca -0.04 1.35 0.06 0.00 0.00 0.00 0.00 51.96 53.33 1yup s ALA 25 Cb -0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 23.12 22.27 1yup s ALA 25 CO -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 175.76 175.48 1yup s ALA 26 N 0.33 2.60 -0.02 0.00 0.00 -0.98 0.15 121.76 123.83 1yup s ALA 26 Ca -0.01 -2.06 0.14 0.00 0.00 0.00 0.00 51.96 50.03 1yup s ALA 26 Cb -0.04 0.30 0.13 0.00 0.00 0.00 0.00 23.12 23.51 1yup s ALA 26 CO -0.00 -0.13 1.47 0.66 0.00 0.00 0.00 175.76 177.75 1yup h SER 27 N 2.09 0.00 -3.26 0.00 4.64 -1.49 -1.79 113.55 113.74 1yup h SER 27 Ca -0.41 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.24 1yup h SER 27 Cb 1.24 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 63.02 1yup h SER 27 CO 0.71 0.59 -0.79 -0.62 -0.87 0.00 0.00 176.83 175.86 1yup s ASP 28 N -6.52 3.76 0.26 4.97 2.15 -1.26 -3.69 116.67 116.33 1yup s ASP 28 Ca 0.02 -0.49 -0.03 0.00 0.43 0.00 0.00 52.55 52.48 1yup s ASP 28 Cb 0.09 -1.61 0.40 0.00 -0.30 0.00 0.00 42.92 41.50 1yup s ASP 28 CO 0.75 0.02 1.86 0.40 -0.17 0.00 0.00 175.17 178.03 1yup h ILE 29 N 5.75 1.03 0.00 4.11 2.04 -1.85 -1.58 117.51 127.01 1yup h ILE 29 Ca -0.40 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1yup h ILE 29 Cb 1.16 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1yup h ILE 29 CO 0.60 0.19 0.00 0.77 0.00 0.00 0.00 178.15 179.71 1yup h SER 30 N 1.05 0.00 1.78 1.72 4.64 -1.94 0.30 113.55 121.09 1yup h SER 30 Ca 0.42 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1yup h SER 30 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1yup h SER 30 CO -0.19 0.00 -0.01 -0.07 -0.87 0.00 0.00 176.83 175.69 1yup h LEU 31 N 0.00 0.00 -0.04 5.97 3.38 -1.53 -3.39 115.31 119.71 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 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1yup h LEU 31 CO 0.00 0.01 0.00 0.18 0.09 0.00 0.00 178.44 178.72 1yup n LEU 32 N -3.10 0.04 -4.56 1.67 4.32 -0.59 -3.47 117.00 111.31 1yup n LEU 32 Ca 0.03 -0.13 -0.42 0.00 -0.02 0.00 0.00 56.01 55.47 1yup n LEU 32 Cb 0.48 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.22 1yup n LEU 32 CO 0.33 0.01 0.41 -1.81 -1.22 0.00 0.00 177.39 175.11 1yup s ASP 33 N -0.17 6.41 0.00 -1.43 1.11 0.95 -4.77 116.67 118.77 1yup s ASP 33 Ca 0.00 0.04 0.00 0.00 0.18 0.00 0.00 52.55 52.77 1yup s ASP 33 Cb 0.00 -2.33 0.00 0.00 1.07 0.00 0.00 42.92 41.66 1yup s ASP 33 CO 0.00 -0.67 0.00 0.00 1.18 0.00 0.00 175.17 175.68 1yup n ALA 34 N 6.17 0.00 0.28 5.23 0.00 -1.26 -4.52 120.51 126.41 1yup n ALA 34 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.56 1yup n ALA 34 Cb 0.48 0.00 0.80 0.00 0.00 0.00 0.00 19.45 20.74 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 -0.01 0.00 1.08 -1.95 -2.49 115.11 111.73 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 0.04 -0.25 -1.13 -0.95 0.00 0.00 178.83 176.54 1yup n SER 36 N -3.96 1.22 -4.70 1.46 3.41 -1.26 -4.21 113.62 105.57 1yup n SER 36 Ca -0.03 -1.04 -0.41 0.00 -0.26 0.00 0.00 58.87 57.13 1yup n SER 36 Cb 0.12 0.15 0.01 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.46 1.28 -1.77 7.33 0.00 -0.94 -4.93 120.51 121.02 1yup n ALA 37 Ca 0.13 0.26 -0.40 0.00 0.00 0.00 0.00 53.44 53.42 1yup n ALA 37 Cb 0.37 -2.27 0.01 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 -2.23 3.84 0.00 0.00 0.04 -1.24 -2.50 135.00 132.90 1yup s PRO 38 Ca 0.61 2.48 0.00 0.00 0.04 0.00 0.00 61.00 64.13 1yup s PRO 38 Cb -0.50 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1yup s PRO 38 CO 0.58 -0.72 0.00 1.28 0.04 0.00 0.00 177.00 178.18 1yup n LEU 39 N 0.04 0.00 -4.57 -3.56 4.77 -1.25 -4.12 117.00 108.31 1yup n LEU 39 Ca 0.04 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.67 1yup n LEU 39 Cb 0.41 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1yup n LEU 39 CO 0.61 0.00 1.58 -0.60 -1.33 0.00 0.00 177.39 177.64 1yup s ARG 40 N -0.11 3.18 -0.01 3.23 6.06 -1.04 -4.91 118.95 125.34 1yup s ARG 40 Ca 0.00 -1.15 0.05 0.00 -2.50 0.00 0.00 55.73 52.13 1yup s ARG 40 Cb 0.00 -5.31 -0.01 0.00 0.06 0.00 0.00 34.95 29.69 1yup s ARG 40 CO 0.00 -2.92 -0.17 0.14 -2.50 0.00 0.00 175.30 169.85 1yup s VAL 41 N 7.45 1.31 -0.28 7.11 -7.23 -1.26 -4.61 120.40 122.89 1yup s VAL 41 Ca 0.59 -0.72 -0.02 0.00 -1.81 0.00 0.00 61.98 60.02 1yup s VAL 41 Cb -0.01 -1.09 0.04 0.00 0.56 0.00 0.00 36.38 35.87 1yup s VAL 41 CO 0.02 0.36 -0.02 -0.31 -0.31 0.00 0.00 175.10 174.85 1yup s TYR 42 N -0.41 3.18 0.42 2.82 2.02 -0.68 -4.95 117.35 119.76 1yup s TYR 42 Ca 0.06 -1.67 -0.26 0.00 -0.37 0.00 0.00 57.07 54.83 1yup s TYR 42 Cb -0.06 -2.10 -0.09 0.00 -0.40 0.00 0.00 41.96 39.30 1yup s TYR 42 CO -0.01 -0.76 1.44 0.08 -1.57 0.00 0.00 175.55 174.74 1yup s VAL 43 N 1.30 2.11 -0.11 0.71 1.01 -1.26 -1.37 120.40 122.78 1yup s VAL 43 Ca -0.02 0.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 1yup s VAL 43 Cb -0.18 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1yup s VAL 43 CO -0.02 0.02 -0.19 -0.62 0.00 0.00 0.00 175.10 174.29 1yup n GLU 44 N 0.07 0.30 -3.77 2.72 1.02 0.11 -4.17 120.64 116.92 1yup n GLU 44 Ca 0.03 0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 57.18 1yup n GLU 44 Cb 0.41 -1.02 -0.08 0.00 -0.02 0.00 0.00 31.44 30.73 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 -2.35 0.70 -0.10 3.49 2.12 -1.06 -1.42 118.70 120.08 1yup s GLU 45 Ca -0.19 -0.33 0.02 0.00 0.36 0.00 0.00 54.97 54.83 1yup s GLU 45 Cb 0.06 0.31 -0.01 0.00 0.26 0.00 0.00 34.13 34.74 1yup s GLU 45 CO 0.25 -0.20 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.09 1yup s LEU 46 N -1.60 2.53 -0.48 2.70 1.02 0.44 -1.50 118.68 121.80 1yup s LEU 46 Ca -0.10 -0.37 0.03 0.00 0.02 0.00 0.00 54.13 53.70 1yup s LEU 46 Cb -0.04 -1.54 0.15 0.00 0.02 0.00 0.00 46.19 44.78 1yup s LEU 46 CO 0.01 0.20 0.30 -0.54 0.02 0.00 0.00 176.35 176.34 1yup s LYS 47 N 0.13 1.38 1.13 1.70 1.02 0.71 -0.96 119.74 124.85 1yup s LYS 47 Ca -0.08 -2.22 -0.12 0.00 0.02 0.00 0.00 55.97 53.56 1yup s LYS 47 Cb -0.15 -2.29 0.27 0.00 -0.52 0.00 0.00 37.83 35.14 1yup s LYS 47 CO 0.05 -1.23 1.05 -1.25 -0.92 0.00 0.00 175.35 173.05 1yup s PRO 48 N 0.02 -0.69 0.18 -1.68 0.04 -1.26 -1.35 135.00 130.26 1yup s PRO 48 Ca 0.22 0.98 0.09 0.00 0.04 0.00 0.00 61.00 62.33 1yup s PRO 48 Cb -0.15 -1.57 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 1yup s PRO 48 CO -0.07 -3.61 -0.18 0.95 0.04 0.00 0.00 177.00 174.13 1yup s THR 49 N -2.47 1.89 0.33 1.26 -4.23 0.20 -4.79 115.64 107.83 1yup s THR 49 Ca 0.68 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.21 1yup s THR 49 Cb -0.25 -1.93 0.29 0.00 1.34 0.00 0.00 72.50 71.95 1yup s THR 49 CO 0.64 -0.36 1.92 -0.65 -0.54 0.00 0.00 174.62 175.63 1yup h PRO 50 N 3.06 0.88 0.00 3.99 0.11 -1.97 -0.95 132.00 137.12 1yup h PRO 50 Ca -0.42 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1yup h PRO 50 Cb 1.21 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1yup h PRO 50 CO 0.53 0.58 0.00 0.41 -0.21 0.00 0.00 178.00 179.31 1yup n GLY 51 N -1.42 -0.68 0.87 -0.55 0.00 -1.26 -4.86 105.19 97.29 1yup n GLY 51 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.77 3.86 -0.02 0.00 -0.36 -4.89 105.19 104.80 1yup n GLY 52 Ca 0.06 0.00 -0.29 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 -2.36 4.02 -0.22 1.61 1.01 -1.25 -4.32 116.67 115.16 1yup s ASP 53 Ca 0.00 0.80 -0.04 0.00 0.71 0.00 0.00 52.55 54.02 1yup s ASP 53 Cb 0.00 -1.28 0.09 0.00 1.01 0.00 0.00 42.92 42.75 1yup s ASP 53 CO 0.00 -2.21 0.19 -0.22 0.21 0.00 0.00 175.17 173.14 1yup s LEU 54 N -5.77 0.04 -0.05 1.23 2.96 -0.56 -0.63 118.68 115.90 1yup s LEU 54 Ca 0.64 -0.49 -0.30 0.00 -0.22 0.00 0.00 54.13 53.76 1yup s LEU 54 Cb -0.12 0.19 -0.02 0.00 0.50 0.00 0.00 46.19 46.74 1yup s LEU 54 CO 0.51 -0.35 1.02 -0.70 -1.32 0.00 0.00 176.35 175.50 1yup s GLU 55 N 2.27 4.48 -0.15 1.98 2.12 -0.46 -0.94 118.70 128.00 1yup s GLU 55 Ca 0.06 1.44 0.00 0.00 0.36 0.00 0.00 54.97 56.84 1yup s GLU 55 Cb -0.16 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.73 1yup s GLU 55 CO -0.17 -0.20 -0.15 -1.50 -0.54 0.00 0.00 175.26 172.70 1yup s ILE 56 N 1.53 2.76 -0.22 -3.70 1.10 0.64 -0.21 121.20 123.10 1yup s ILE 56 Ca 0.51 -0.75 -0.05 0.00 -0.51 0.00 0.00 60.65 59.85 1yup s ILE 56 Cb -0.20 -2.16 -0.02 0.00 0.15 0.00 0.00 42.46 40.23 1yup s ILE 56 CO 0.23 0.52 -0.00 -0.76 -2.11 0.00 0.00 174.94 172.82 1yup s LEU 57 N 0.67 3.13 0.29 8.50 1.43 -0.56 -1.71 118.68 130.43 1yup s LEU 57 Ca -0.07 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1yup s LEU 57 Cb -0.16 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 1yup s LEU 57 CO 0.02 0.00 0.30 -1.48 0.23 0.00 0.00 176.35 175.43 1yup s LEU 58 N 1.36 1.28 0.05 1.79 0.05 -1.00 0.07 118.68 122.26 1yup s LEU 58 Ca 0.04 -1.52 0.04 0.00 0.05 0.00 0.00 54.13 52.75 1yup s LEU 58 Cb -0.15 0.84 -0.02 0.00 -2.05 0.00 0.00 46.19 44.81 1yup s LEU 58 CO 0.00 -1.07 -0.13 -1.10 -0.55 0.00 0.00 176.35 173.50 1yup s GLN 59 N -3.59 0.82 0.03 1.48 -0.21 -0.47 -0.91 119.66 116.80 1yup s GLN 59 Ca 0.36 -0.79 0.08 0.00 0.02 0.00 0.00 55.36 55.03 1yup s GLN 59 Cb 0.03 -0.80 -0.02 0.00 1.00 0.00 0.00 33.01 33.21 1yup s GLN 59 CO 0.20 0.19 -0.23 0.15 -2.12 0.00 0.00 175.29 173.48 1yup s LYS 60 N -1.32 1.63 -0.61 2.91 1.02 -0.45 -1.68 119.74 121.24 1yup s LYS 60 Ca -0.01 -0.95 -0.27 0.00 0.02 0.00 0.00 55.97 54.77 1yup s LYS 60 Cb -0.08 -1.72 -0.02 0.00 -0.52 0.00 0.00 37.83 35.49 1yup s LYS 60 CO 0.01 0.45 1.84 -0.46 -0.92 0.00 0.00 175.35 176.27 1yup s TRP 61 N -0.72 1.68 -0.10 3.18 -0.11 -1.26 -0.73 118.94 120.89 1yup s TRP 61 Ca 0.09 0.76 -0.00 0.00 1.22 0.00 0.00 56.10 58.16 1yup s TRP 61 Cb -0.09 -4.11 0.02 0.00 -1.50 0.00 0.00 33.47 27.80 1yup s TRP 61 CO 0.01 -2.31 -0.06 -1.21 -4.62 0.00 0.00 176.95 168.76 1yup s GLU 62 N 6.98 1.34 -0.69 5.86 2.02 -0.44 -4.49 118.70 129.29 1yup s GLU 62 Ca 0.66 -0.19 -0.02 0.00 0.02 0.00 0.00 54.97 55.45 1yup s GLU 62 Cb -0.13 -1.45 0.00 0.00 0.10 0.00 0.00 34.13 32.66 1yup s GLU 62 CO 0.21 -0.26 0.58 0.09 0.02 0.00 0.00 175.26 175.90 1yup n ASN 63 N 4.93 -2.79 -1.38 -0.19 3.02 -1.26 -2.99 115.26 114.59 1yup n ASN 63 Ca -0.12 -0.33 -0.18 0.00 -0.03 0.00 0.00 54.58 53.92 1yup n ASN 63 Cb 0.50 -3.02 -0.08 0.00 -0.61 0.00 0.00 39.78 36.57 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 -1.16 1.73 3.52 7.41 0.00 -1.26 -4.95 105.19 110.49 1yup n GLY 64 Ca -0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.52 1.42 -0.27 1.61 1.02 -1.16 -5.14 119.74 113.69 1yup s LYS 65 Ca 0.00 -1.12 -0.22 0.00 0.02 0.00 0.00 55.97 54.65 1yup s LYS 65 Cb 0.00 0.47 -0.01 0.00 -0.52 0.00 0.00 37.83 37.77 1yup s LYS 65 CO 0.00 -0.58 0.71 0.00 -0.92 0.00 0.00 175.35 174.56 1yup s ALA 67 N 2.70 3.39 0.10 0.00 0.00 0.10 -4.92 121.76 123.12 1yup s ALA 67 Ca 0.29 -0.75 -0.26 0.00 0.00 0.00 0.00 51.96 51.25 1yup s ALA 67 Cb -0.15 -1.84 -0.06 0.00 0.00 0.00 0.00 23.12 21.06 1yup s ALA 67 CO 0.09 0.26 0.79 -1.14 0.00 0.00 0.00 175.76 175.76 1yup s GLN 68 N 0.14 4.55 -0.06 0.00 0.74 -1.26 -1.34 119.66 122.42 1yup s GLN 68 Ca 0.04 1.14 0.06 0.00 0.05 0.00 0.00 55.36 56.65 1yup s GLN 68 Cb -0.12 -3.33 -0.01 0.00 1.10 0.00 0.00 33.01 30.65 1yup s GLN 68 CO 0.01 0.38 -0.24 0.15 -0.55 0.00 0.00 175.29 175.04 1yup s LYS 69 N -0.45 2.53 -0.20 1.67 1.02 -0.09 -4.99 119.74 119.24 1yup s LYS 69 Ca 0.38 -0.88 -0.10 0.00 0.02 0.00 0.00 55.97 55.40 1yup s LYS 69 Cb -0.22 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 34.92 1yup s LYS 69 CO 0.25 0.35 0.13 0.21 -0.92 0.00 0.00 175.35 175.37 1yup s LYS 70 N -0.09 4.17 -0.11 1.68 2.20 -1.26 -2.38 119.74 123.95 1yup s LYS 70 Ca -0.05 -0.23 -0.03 0.00 -0.36 0.00 0.00 55.97 55.30 1yup s LYS 70 Cb -0.14 -3.42 0.04 0.00 -1.51 0.00 0.00 37.83 32.80 1yup s LYS 70 CO 0.04 0.28 0.04 0.42 -0.36 0.00 0.00 175.35 175.77 1yup s ILE 71 N 0.42 0.15 -0.13 5.43 1.01 -0.69 -5.01 121.20 122.38 1yup s ILE 71 Ca 0.08 0.03 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 1yup s ILE 71 Cb -0.11 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 1yup s ILE 71 CO -0.01 0.03 0.49 -0.63 0.00 0.00 0.00 174.94 174.82 1yup s ILE 72 N 2.05 5.17 -0.38 2.92 1.09 -1.26 -0.26 121.20 130.53 1yup s ILE 72 Ca 0.03 0.97 -0.02 0.00 -1.10 0.00 0.00 60.65 60.53 1yup s ILE 72 Cb -0.14 -3.83 0.09 0.00 -1.06 0.00 0.00 42.46 37.52 1yup s ILE 72 CO -0.06 0.30 0.15 0.00 -0.10 0.00 0.00 174.94 175.22 1yup s ALA 73 N 0.80 3.06 0.27 9.38 0.00 -0.12 -4.60 121.76 130.55 1yup s ALA 73 Ca 0.26 -2.33 -0.24 0.00 0.00 0.00 0.00 51.96 49.65 1yup s ALA 73 Cb -0.15 -2.28 -0.09 0.00 0.00 0.00 0.00 23.12 20.60 1yup s ALA 73 CO 0.10 -1.66 0.85 -1.21 0.00 0.00 0.00 175.76 173.85 1yup s GLU 74 N 1.16 4.49 0.75 0.00 2.02 -0.11 -1.50 118.70 125.51 1yup s GLU 74 Ca 0.05 1.17 -0.11 0.00 0.02 0.00 0.00 54.97 56.10 1yup s GLU 74 Cb -0.22 -2.91 0.04 0.00 0.10 0.00 0.00 34.13 31.14 1yup s GLU 74 CO -0.03 0.37 1.09 -1.59 0.02 0.00 0.00 175.26 175.11 1yup s LYS 75 N -1.86 2.43 0.11 1.61 -2.85 -1.26 -0.59 119.74 117.32 1yup s LYS 75 Ca 0.45 1.16 0.01 0.00 -1.00 0.00 0.00 55.97 56.60 1yup s LYS 75 Cb -0.19 -1.92 -0.00 0.00 -2.06 0.00 0.00 37.83 33.66 1yup s LYS 75 CO 0.24 -1.51 0.05 0.25 0.10 0.00 0.00 175.35 174.48 1yup n THR 76 N -3.32 0.00 0.26 3.79 -2.24 -1.22 -4.73 114.28 106.83 1yup n THR 76 Ca 0.09 -0.64 0.16 0.00 -2.27 0.00 0.00 64.05 61.40 1yup n THR 76 Cb 0.53 0.25 0.85 0.00 -2.10 0.00 0.00 70.33 69.86 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 0.00 -5.10 -0.78 9.09 -1.98 -3.40 114.58 112.41 1yup h GLU 77 Ca -0.08 0.00 -0.66 0.00 0.05 0.00 0.00 59.36 58.67 1yup h GLU 77 Cb 0.32 0.00 -0.27 0.00 -1.65 0.00 0.00 28.75 27.15 1yup h GLU 77 CO 0.13 0.00 -0.73 0.42 0.05 0.00 0.00 179.01 178.87 1yup s ILE 78 N -3.79 3.27 0.44 -1.06 -1.09 -1.26 -5.02 121.20 112.69 1yup s ILE 78 Ca -0.03 -0.54 0.15 0.00 -2.23 0.00 0.00 60.65 57.99 1yup s ILE 78 Cb 0.09 -2.45 0.33 0.00 -1.58 0.00 0.00 42.46 38.85 1yup s ILE 78 CO 0.32 0.46 1.98 -0.65 -1.23 0.00 0.00 174.94 175.82 1yup h PRO 79 N 7.65 0.37 -0.71 2.79 0.11 -1.94 -2.03 132.00 138.25 1yup h PRO 79 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1yup h PRO 79 Cb 1.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1yup h PRO 79 CO 0.60 0.25 0.00 0.00 -0.21 0.00 0.00 178.00 178.63 1yup n ALA 80 N -2.53 2.71 -3.30 -0.75 0.00 -1.26 -4.85 120.51 110.53 1yup n ALA 80 Ca 0.10 -1.43 -0.31 0.00 0.00 0.00 0.00 53.44 51.81 1yup n ALA 80 Cb 0.39 -0.98 -0.17 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.39 1.88 0.11 0.00 1.01 -0.76 -1.55 120.40 119.69 1yup s VAL 81 Ca 0.50 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.66 1yup s VAL 81 Cb 0.29 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1yup s VAL 81 CO 0.30 0.52 -0.22 -0.36 0.00 0.00 0.00 175.10 175.34 1yup s PHE 82 N 0.44 1.85 -0.18 5.22 0.40 -0.01 -3.39 117.98 122.31 1yup s PHE 82 Ca -0.17 -0.41 -0.10 0.00 -0.60 0.00 0.00 56.93 55.64 1yup s PHE 82 Cb -0.17 -1.01 -0.05 0.00 0.51 0.00 0.00 43.02 42.30 1yup s PHE 82 CO 0.07 0.22 0.15 0.15 0.70 0.00 0.00 175.22 176.52 1yup s LYS 83 N -1.94 4.04 0.30 0.44 -0.14 0.24 -0.95 119.74 121.74 1yup s LYS 83 Ca 0.07 -0.16 0.04 0.00 -1.36 0.00 0.00 55.97 54.56 1yup s LYS 83 Cb -0.10 -3.37 -0.06 0.00 -1.68 0.00 0.00 37.83 32.62 1yup s LYS 83 CO 0.04 0.39 0.03 0.96 -0.76 0.00 0.00 175.35 176.02 1yup s ILE 84 N 0.07 1.22 -0.41 2.17 -4.36 0.06 -0.94 121.20 119.02 1yup s ILE 84 Ca 0.10 -2.03 0.07 0.00 -0.26 0.00 0.00 60.65 58.54 1yup s ILE 84 Cb -0.11 -2.65 0.24 0.00 1.25 0.00 0.00 42.46 41.18 1yup s ILE 84 CO 0.00 -0.11 0.56 -0.67 0.24 0.00 0.00 174.94 174.96 1yup n ASP 85 N -0.62 -0.51 -3.47 4.36 2.03 -1.25 -4.01 116.55 113.08 1yup n ASP 85 Ca -0.03 -2.75 -0.14 0.00 0.52 0.00 0.00 54.79 52.39 1yup n ASP 85 Cb 0.66 -0.17 -0.04 0.00 -0.72 0.00 0.00 41.12 40.85 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 -0.65 -1.60 -1.38 -1.67 0.00 -1.16 -4.92 121.76 110.38 1yup s ALA 86 Ca 0.34 0.73 -0.11 0.00 0.00 0.00 0.00 51.96 52.93 1yup s ALA 86 Cb 0.16 0.56 0.08 0.00 0.00 0.00 0.00 23.12 23.91 1yup s ALA 86 CO -0.14 -0.62 0.59 1.28 0.00 0.00 0.00 175.76 176.88 1yup n LEU 87 N 0.10 -1.78 -2.25 0.00 4.77 -1.26 -0.50 117.00 116.08 1yup n LEU 87 Ca -0.18 -0.50 -0.09 0.00 -0.03 0.00 0.00 56.01 55.21 1yup n LEU 87 Cb 0.62 -2.24 -0.01 0.00 -2.33 0.00 0.00 43.42 39.46 1yup n LEU 87 CO 0.17 0.22 -0.12 0.59 -1.33 0.00 0.00 177.39 176.92 1yup n ASN 88 N -2.41 -3.11 -4.71 -1.43 5.03 -1.26 -4.85 115.26 102.51 1yup n ASN 88 Ca -0.00 0.26 -0.23 0.00 0.87 0.00 0.00 54.58 55.48 1yup n ASN 88 Cb 0.54 -2.74 -0.06 0.00 -1.02 0.00 0.00 39.78 36.50 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 -4.65 2.41 0.00 3.52 0.41 0.35 -4.68 118.70 116.06 1yup s GLU 89 Ca 0.00 -1.45 0.00 0.00 -0.41 0.00 0.00 54.97 53.11 1yup s GLU 89 Cb 0.00 -2.22 0.00 0.00 -1.78 0.00 0.00 34.13 30.13 1yup s GLU 89 CO 0.00 0.23 0.00 0.27 -0.49 0.00 0.00 175.26 175.27 1yup n ASN 90 N -1.07 0.13 -4.29 -0.19 0.23 -0.54 -2.98 115.26 106.55 1yup n ASN 90 Ca -0.05 -0.04 -0.28 0.00 -0.53 0.00 0.00 54.58 53.69 1yup n ASN 90 Cb 0.60 0.11 -0.14 0.00 -2.08 0.00 0.00 39.78 38.26 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 -0.13 1.59 -0.15 -3.83 1.02 -0.20 -0.76 119.74 117.28 1yup s LYS 91 Ca 0.00 -1.00 0.02 0.00 0.02 0.00 0.00 55.97 55.01 1yup s LYS 91 Cb 0.00 -1.71 0.01 0.00 -0.52 0.00 0.00 37.83 35.61 1yup s LYS 91 CO 0.00 0.44 -0.21 0.08 -0.92 0.00 0.00 175.35 174.75 1yup s VAL 92 N -0.78 2.13 -0.26 3.17 1.01 -0.12 -1.76 120.40 123.79 1yup s VAL 92 Ca 0.09 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 1yup s VAL 92 Cb -0.09 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.44 1yup s VAL 92 CO 0.02 0.54 -0.02 -0.76 0.00 0.00 0.00 175.10 174.88 1yup s LEU 93 N 0.93 3.37 -0.27 3.92 2.01 -0.37 -0.83 118.68 127.44 1yup s LEU 93 Ca -0.04 -0.81 -0.29 0.00 0.01 0.00 0.00 54.13 53.00 1yup s LEU 93 Cb -0.15 -1.73 0.01 0.00 0.01 0.00 0.00 46.19 44.33 1yup s LEU 93 CO -0.04 -0.14 1.12 -0.69 1.01 0.00 0.00 176.35 177.61 1yup s VAL 94 N 1.38 4.47 0.03 -1.59 1.01 -0.60 -0.66 120.40 124.44 1yup s VAL 94 Ca 0.01 1.72 -0.00 0.00 0.00 0.00 0.00 61.98 63.71 1yup s VAL 94 Cb -0.17 -4.30 -0.26 0.00 0.00 0.00 0.00 36.38 31.65 1yup s VAL 94 CO -0.02 -0.36 0.95 -0.07 0.00 0.00 0.00 175.10 175.60 1yup h LEU 95 N 10.00 0.30 -7.00 3.92 4.07 -1.62 -3.46 115.31 121.52 1yup h LEU 95 Ca -0.22 -0.40 0.21 0.00 0.08 0.00 0.00 57.88 57.56 1yup h LEU 95 Cb 1.07 -0.10 -0.27 0.00 1.08 0.00 0.00 40.66 42.44 1yup h LEU 95 CO 1.01 1.33 0.88 -0.62 -1.08 0.00 0.00 178.44 179.96 1yup s ASP 96 N -6.89 -0.09 -0.09 -0.43 2.15 -1.24 -4.99 116.67 105.08 1yup s ASP 96 Ca -0.06 0.11 -0.30 0.00 0.43 0.00 0.00 52.55 52.73 1yup s ASP 96 Cb 0.07 0.08 0.11 0.00 -0.30 0.00 0.00 42.92 42.89 1yup s ASP 96 CO 0.85 -0.08 0.90 0.28 -0.17 0.00 0.00 175.17 176.95 1yup s THR 97 N -0.95 0.00 -0.19 1.71 -1.32 -1.26 -0.08 115.64 113.54 1yup s THR 97 Ca 0.07 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.71 1yup s THR 97 Cb -0.01 -1.00 0.34 0.00 -1.51 0.00 0.00 72.50 70.32 1yup s THR 97 CO -0.07 0.00 1.24 -0.90 -2.21 0.00 0.00 174.62 172.68 1yup n ASP 98 N 0.49 2.89 0.00 8.08 5.68 -1.08 -5.01 116.55 127.60 1yup n ASP 98 Ca -0.12 -2.87 0.00 0.00 -0.50 0.00 0.00 54.79 51.30 1yup n ASP 98 Cb 0.59 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 1yup n ASP 98 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1yup n TYR 99 N -0.88 0.00 0.05 2.11 4.01 -1.25 -4.26 117.16 116.94 1yup n TYR 99 Ca 0.16 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.93 1yup n TYR 99 Cb 0.67 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.64 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 0.62 0.06 -0.72 5.02 -1.26 -4.79 118.16 117.09 1yup n LYS 100 Ca 0.00 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1yup n LYS 100 Cb 0.00 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 1yup n LYS 100 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1yup n LYS 101 N -2.82 0.00 -4.25 1.97 5.02 -1.26 -4.71 118.16 112.11 1yup n LYS 101 Ca -0.07 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.08 1yup n LYS 101 Cb 0.76 -0.32 -0.10 0.00 -0.02 0.00 0.00 35.03 35.34 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 1.26 -0.15 2.13 1.13 -1.26 -1.20 117.35 117.25 1yup s TYR 102 Ca 0.00 -0.84 -0.06 0.00 -1.41 0.00 0.00 57.07 54.76 1yup s TYR 102 Cb 0.00 -0.68 0.07 0.00 -1.10 0.00 0.00 41.96 40.25 1yup s TYR 102 CO 0.00 -0.01 0.33 -1.17 -2.51 0.00 0.00 175.55 172.19 1yup s LEU 103 N -3.18 -0.27 0.02 -3.49 0.20 -0.88 -2.63 118.68 108.46 1yup s LEU 103 Ca 0.19 0.75 -0.08 0.00 0.69 0.00 0.00 54.13 55.68 1yup s LEU 103 Cb 0.04 1.00 -0.05 0.00 -0.43 0.00 0.00 46.19 46.75 1yup s LEU 103 CO 0.02 -0.22 0.31 -0.76 -0.29 0.00 0.00 176.35 175.40 1yup s LEU 104 N 2.15 4.37 0.28 -0.68 1.43 0.88 -1.25 118.68 125.86 1yup s LEU 104 Ca -0.03 0.63 -0.17 0.00 -1.03 0.00 0.00 54.13 53.53 1yup s LEU 104 Cb -0.11 -2.74 0.02 0.00 0.03 0.00 0.00 46.19 43.39 1yup s LEU 104 CO -0.10 0.24 0.64 0.72 0.23 0.00 0.00 176.35 178.08 1yup s PHE 105 N -1.31 0.07 0.19 0.29 -0.71 -0.77 -1.65 117.98 114.09 1yup s PHE 105 Ca 0.28 -0.52 -0.12 0.00 -1.04 0.00 0.00 56.93 55.54 1yup s PHE 105 Cb -0.13 0.53 0.00 0.00 -1.21 0.00 0.00 43.02 42.21 1yup s PHE 105 CO 0.16 -1.20 0.39 0.00 -1.34 0.00 0.00 175.22 173.23 1yup s MET 107 N -3.96 0.59 -0.11 0.00 0.23 0.13 -1.24 119.30 114.94 1yup s MET 107 Ca 0.16 -0.56 -0.31 0.00 -1.03 0.00 0.00 55.69 53.96 1yup s MET 107 Cb 0.01 0.24 0.12 0.00 -1.53 0.00 0.00 34.83 33.68 1yup s MET 107 CO 0.01 -0.15 1.04 -1.83 -2.03 0.00 0.00 175.02 172.06 1yup s GLU 108 N -2.08 0.57 -0.38 3.16 -1.05 -0.72 -1.91 118.70 116.29 1yup s GLU 108 Ca -0.09 -0.12 -0.18 0.00 -0.15 0.00 0.00 54.97 54.43 1yup s GLU 108 Cb -0.04 0.26 0.01 0.00 -0.44 0.00 0.00 34.13 33.92 1yup s GLU 108 CO -0.02 -0.23 0.49 1.21 0.95 0.00 0.00 175.26 177.66 1yup s ASN 109 N -1.98 6.26 0.62 0.83 3.84 -1.26 -1.03 114.94 122.22 1yup s ASN 109 Ca 0.05 -0.28 0.31 0.00 0.21 0.00 0.00 52.86 53.14 1yup s ASN 109 Cb -0.01 -2.25 1.67 0.00 -0.55 0.00 0.00 41.25 40.11 1yup s ASN 109 CO -0.05 -0.53 2.01 0.77 -2.79 0.00 0.00 177.10 176.51 1yup h SER 110 N 8.60 0.00 0.63 -4.21 4.64 -1.94 -0.78 113.55 120.48 1yup h SER 110 Ca -0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 1yup h SER 110 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1yup h SER 110 CO 0.78 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 176.72 1yup h ALA 111 N 1.55 1.03 -0.20 5.18 0.00 -2.00 -3.34 119.26 121.49 1yup h ALA 111 Ca 0.08 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 1yup h ALA 111 Cb 0.69 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.33 1yup h ALA 111 CO -0.00 0.03 -0.44 -0.85 0.00 0.00 0.00 179.25 177.99 1yup n GLU 112 N -3.16 0.65 -0.28 0.00 0.28 -0.39 -5.06 120.64 112.68 1yup n GLU 112 Ca -0.01 -1.66 0.07 0.00 -0.16 0.00 0.00 57.16 55.40 1yup n GLU 112 Cb 0.23 -1.30 0.22 0.00 1.43 0.00 0.00 31.44 32.02 1yup n GLU 112 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 1yup h PRO 113 N 4.12 0.45 0.64 3.44 0.11 -1.45 -2.73 132.00 136.56 1yup h PRO 113 Ca -0.11 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.95 1yup h PRO 113 Cb 1.07 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1yup h PRO 113 CO 0.21 0.29 -0.44 0.93 -0.21 0.00 0.00 178.00 178.78 1yup h GLU 114 N 0.46 -0.99 0.00 1.05 5.08 -1.96 -2.98 114.58 115.24 1yup h GLU 114 Ca 0.46 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1yup h GLU 114 Cb 0.74 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1yup h GLU 114 CO -0.43 -0.66 0.00 1.04 -1.00 0.00 0.00 179.01 177.96 1yup n GLN 115 N -5.56 0.11 -0.00 2.33 6.02 -1.04 -2.10 117.38 117.14 1yup n GLN 115 Ca -0.13 0.19 0.01 0.00 -0.01 0.00 0.00 57.00 57.07 1yup n GLN 115 Cb 0.45 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.22 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 -1.39 1.27 -4.69 1.08 7.64 -1.18 -4.59 113.62 111.76 1yup n SER 116 Ca 0.05 -1.15 -0.42 0.00 1.01 0.00 0.00 58.87 58.36 1yup n SER 116 Cb 0.15 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 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 -0.27 4.27 0.02 -3.43 2.96 -0.89 -4.30 118.68 117.04 1yup s LEU 117 Ca 0.03 1.62 0.02 0.00 -0.22 0.00 0.00 54.13 55.58 1yup s LEU 117 Cb 0.02 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.14 1yup s LEU 117 CO 0.04 -0.46 -0.06 0.00 -1.32 0.00 0.00 176.35 174.54 1yup s ALA 118 N 1.95 0.49 0.10 5.97 0.00 -0.80 -1.66 121.76 127.81 1yup s ALA 118 Ca 0.51 -0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.06 1yup s ALA 118 Cb -0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1yup s ALA 118 CO 0.20 0.05 -0.12 0.00 0.00 0.00 0.00 175.76 175.89 1yup s GLN 120 N -2.58 0.43 -0.22 0.00 -0.21 -0.43 -0.77 119.66 115.88 1yup s GLN 120 Ca 0.05 -0.47 -0.20 0.00 0.02 0.00 0.00 55.36 54.76 1yup s GLN 120 Cb -0.05 -0.28 -0.02 0.00 1.00 0.00 0.00 33.01 33.66 1yup s GLN 120 CO 0.01 0.06 0.61 0.00 -2.12 0.00 0.00 175.29 173.86 1yup s LEU 122 N 2.07 3.74 0.10 0.00 1.43 -0.38 -0.68 118.68 124.95 1yup s LEU 122 Ca 0.27 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 1yup s LEU 122 Cb -0.16 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1yup s LEU 122 CO 0.10 0.19 -0.09 0.68 0.23 0.00 0.00 176.35 177.45 1yup s VAL 123 N -1.34 0.89 0.04 -1.59 -7.23 -0.30 -2.06 120.40 108.81 1yup s VAL 123 Ca 0.27 -1.71 0.13 0.00 -1.81 0.00 0.00 61.98 58.87 1yup s VAL 123 Cb -0.12 -1.43 -0.01 0.00 0.56 0.00 0.00 36.38 35.38 1yup s VAL 123 CO 0.20 -0.63 1.47 0.03 -0.31 0.00 0.00 175.10 175.86 1yup h ARG 124 N 3.42 0.00 -5.83 4.82 2.47 -1.41 0.14 114.38 117.99 1yup h ARG 124 Ca -0.37 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 57.85 1yup h ARG 124 Cb 1.19 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 29.32 1yup h ARG 124 CO 0.56 0.64 -0.79 0.95 0.56 0.00 0.00 179.97 181.89 1yup s THR 125 N -3.08 1.64 -1.40 2.04 -4.23 -1.26 -4.72 115.64 104.62 1yup s THR 125 Ca 0.02 -1.75 -0.14 0.00 -1.18 0.00 0.00 61.69 58.63 1yup s THR 125 Cb 0.09 -1.66 0.00 0.00 1.34 0.00 0.00 72.50 72.28 1yup s THR 125 CO 0.76 -0.28 2.28 -0.81 -0.54 0.00 0.00 174.62 176.03 1yup n PRO 126 N 0.58 2.80 -3.81 3.99 -0.04 -1.26 -4.81 135.00 132.45 1yup n PRO 126 Ca -0.16 -2.46 -0.12 0.00 -0.04 0.00 0.00 63.50 60.72 1yup n PRO 126 Cb 0.56 -3.19 -0.11 0.00 -0.04 0.00 0.00 33.50 30.73 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 3.26 0.40 0.15 0.54 2.02 -1.26 -4.61 118.70 119.21 1yup s GLU 127 Ca 0.50 0.02 -0.31 0.00 0.02 0.00 0.00 54.97 55.20 1yup s GLU 127 Cb 0.14 0.18 -0.10 0.00 0.10 0.00 0.00 34.13 34.46 1yup s GLU 127 CO -0.07 -0.08 1.57 0.54 0.02 0.00 0.00 175.26 177.24 1yup s VAL 128 N -0.57 2.68 -0.34 2.63 0.11 -1.26 -4.97 120.40 118.68 1yup s VAL 128 Ca -0.07 0.46 -0.03 0.00 -2.93 0.00 0.00 61.98 59.41 1yup s VAL 128 Cb -0.04 -3.29 0.06 0.00 -1.53 0.00 0.00 36.38 31.58 1yup s VAL 128 CO 0.01 0.03 0.07 -0.62 -3.33 0.00 0.00 175.10 171.27 1yup s ASP 129 N 1.27 5.07 0.17 3.54 -1.08 -1.26 -4.99 116.67 119.39 1yup s ASP 129 Ca 0.70 -1.44 -0.13 0.00 -0.52 0.00 0.00 52.55 51.17 1yup s ASP 129 Cb -0.43 -1.77 0.07 0.00 -1.46 0.00 0.00 42.92 39.33 1yup s ASP 129 CO 0.31 -0.35 1.78 0.44 0.52 0.00 0.00 175.17 177.88 1yup h ASP 130 N 8.06 0.72 -0.67 -0.34 3.32 -2.00 -2.29 116.42 123.21 1yup h ASP 130 Ca -0.19 -0.10 0.14 0.00 0.02 0.00 0.00 57.03 56.89 1yup h ASP 130 Cb 1.06 -0.18 -0.10 0.00 0.22 0.00 0.00 39.33 40.33 1yup h ASP 130 CO 0.59 0.62 0.15 -0.33 -1.72 0.00 0.00 179.24 178.54 1yup h GLU 131 N 0.78 0.25 -0.53 3.56 5.08 -2.01 -2.13 114.58 119.58 1yup h GLU 131 Ca 0.20 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1yup h GLU 131 Cb 0.06 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1yup h GLU 131 CO -0.03 0.17 0.28 0.00 -1.00 0.00 0.00 179.01 178.43 1yup h ALA 132 N 1.55 0.68 -0.58 3.43 0.00 -1.85 -2.76 119.26 119.73 1yup h ALA 132 Ca 0.37 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1yup h ALA 132 Cb 0.59 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1yup h ALA 132 CO -0.46 0.21 0.05 0.52 0.00 0.00 0.00 179.25 179.56 1yup h MET 133 N 0.71 0.96 -0.48 0.00 2.86 -1.05 -0.41 114.93 117.53 1yup h MET 133 Ca 0.19 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1yup h MET 133 Cb 0.06 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1yup h MET 133 CO -0.03 0.92 0.23 0.93 1.06 0.00 0.00 176.91 180.02 1yup h GLU 134 N 0.90 0.68 -0.06 1.72 5.08 -1.30 0.28 114.58 121.88 1yup h GLU 134 Ca 0.17 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1yup h GLU 134 Cb 0.46 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1yup h GLU 134 CO 0.02 0.58 0.02 0.87 -1.00 0.00 0.00 179.01 179.50 1yup h LYS 135 N 0.62 0.09 -0.62 2.33 1.57 -1.31 -0.19 116.57 119.07 1yup h LYS 135 Ca 0.16 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.04 1yup h LYS 135 Cb 0.12 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.33 1yup h LYS 135 CO -0.02 0.22 0.16 0.35 -0.57 0.00 0.00 179.45 179.59 1yup h PHE 136 N -0.06 0.27 -0.36 -1.35 3.57 -0.93 -1.22 116.94 116.86 1yup h PHE 136 Ca 0.02 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 1yup h PHE 136 Cb 0.16 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1yup h PHE 136 CO -0.02 -0.00 -0.14 -0.44 -2.23 0.00 0.00 178.31 175.48 1yup h ASP 137 N 0.30 0.63 -0.30 0.41 5.19 -0.08 -2.04 116.42 120.54 1yup h ASP 137 Ca 0.32 -0.19 -0.13 0.00 -0.62 0.00 0.00 57.03 56.42 1yup h ASP 137 Cb 0.47 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.81 1yup h ASP 137 CO -0.39 0.80 -0.31 0.07 -3.12 0.00 0.00 179.24 176.29 1yup h LYS 138 N 0.58 0.73 -0.96 3.56 2.10 -0.58 -2.78 116.57 119.22 1yup h LYS 138 Ca 0.10 -0.39 0.01 0.00 -2.00 0.00 0.00 60.65 58.37 1yup h LYS 138 Cb 0.58 0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 31.87 1yup h LYS 138 CO 0.04 1.01 0.64 0.00 -2.00 0.00 0.00 179.45 179.14 1yup h ALA 139 N 0.71 1.22 -0.00 0.07 0.00 -1.08 -3.06 119.26 117.12 1yup h ALA 139 Ca 0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1yup h ALA 139 Cb 0.88 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1yup h ALA 139 CO 0.08 0.61 -0.51 -0.07 0.00 0.00 0.00 179.25 179.36 1yup h LEU 140 N 1.30 0.01 -1.86 0.00 4.07 -1.26 -3.06 115.31 114.51 1yup h LEU 140 Ca 0.35 -0.00 0.23 0.00 0.08 0.00 0.00 57.88 58.54 1yup h LEU 140 Cb -0.14 -0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.55 1yup h LEU 140 CO -0.08 0.51 0.60 0.11 -1.08 0.00 0.00 178.44 178.50 1yup h LYS 141 N 0.01 0.11 -0.03 1.13 6.56 -1.38 -0.51 116.57 122.46 1yup h LYS 141 Ca -0.00 -0.01 -0.20 0.00 -1.06 0.00 0.00 60.65 59.37 1yup h LYS 141 Cb 0.90 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.53 1yup h LYS 141 CO 0.07 0.07 -0.85 0.00 -2.06 0.00 0.00 179.45 176.68 1yup h ALA 142 N 1.59 0.48 -2.28 3.86 0.00 -1.71 -3.46 119.26 117.75 1yup h ALA 142 Ca 0.42 -0.68 -0.49 0.00 0.00 0.00 0.00 54.91 54.17 1yup h ALA 142 Cb 1.48 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1yup h ALA 142 CO -0.05 0.82 0.15 -0.51 0.00 0.00 0.00 179.25 179.66 1yup s LEU 143 N -7.74 3.92 -1.44 0.00 1.43 -0.20 -4.96 118.68 109.69 1yup s LEU 143 Ca -0.05 1.29 -0.11 0.00 -1.03 0.00 0.00 54.13 54.22 1yup s LEU 143 Cb 0.10 -4.14 0.05 0.00 0.03 0.00 0.00 46.19 42.23 1yup s LEU 143 CO 0.85 -0.33 2.31 -0.81 0.23 0.00 0.00 176.35 178.60 1yup n PRO 144 N -0.87 3.36 -2.96 1.29 -0.04 -1.26 -4.97 135.00 129.56 1yup n PRO 144 Ca 0.04 -2.81 -0.41 0.00 -0.04 0.00 0.00 63.50 60.28 1yup n PRO 144 Cb 0.54 -3.05 -0.04 0.00 -0.04 0.00 0.00 33.50 30.90 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 1.95 4.31 0.00 0.54 -1.94 -1.26 -4.23 119.30 118.67 1yup s MET 145 Ca 0.51 0.92 0.10 0.00 -1.71 0.00 0.00 55.69 55.51 1yup s MET 145 Cb 0.14 -3.55 0.19 0.00 2.01 0.00 0.00 34.83 33.62 1yup s MET 145 CO -0.06 -0.23 1.05 0.72 -0.01 0.00 0.00 175.02 176.48 1yup n HIS 146 N 4.88 0.23 -3.82 -0.03 8.25 -0.71 -4.94 115.22 119.09 1yup n HIS 146 Ca 0.02 -0.27 -0.12 0.00 -0.26 0.00 0.00 57.72 57.09 1yup n HIS 146 Cb 0.49 -0.02 -0.11 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 -0.93 0.03 -0.07 1.59 2.07 -0.95 -4.69 121.20 118.25 1yup s ILE 147 Ca 0.17 -0.21 -0.04 0.00 -1.41 0.00 0.00 60.65 59.16 1yup s ILE 147 Cb 0.10 -0.35 0.03 0.00 0.13 0.00 0.00 42.46 42.37 1yup s ILE 147 CO 0.14 -0.12 0.16 -0.60 -1.91 0.00 0.00 174.94 172.61 1yup s ARG 148 N -0.38 0.14 -0.01 3.50 3.52 -1.26 -2.32 118.95 122.13 1yup s ARG 148 Ca -0.05 0.33 0.02 0.00 -0.13 0.00 0.00 55.73 55.91 1yup s ARG 148 Cb -0.03 -0.08 -0.00 0.00 -1.56 0.00 0.00 34.95 33.28 1yup s ARG 148 CO 0.01 -0.11 -0.08 -0.51 -0.81 0.00 0.00 175.30 173.80 1yup s LEU 149 N 0.80 1.88 0.20 -0.88 1.43 -0.21 -5.00 118.68 116.90 1yup s LEU 149 Ca -0.06 -0.15 0.09 0.00 -1.03 0.00 0.00 54.13 52.98 1yup s LEU 149 Cb -0.08 -0.44 -0.05 0.00 0.03 0.00 0.00 46.19 45.66 1yup s LEU 149 CO -0.04 0.07 -0.17 -0.94 0.23 0.00 0.00 176.35 175.50 1yup s SER 150 N 0.03 2.83 0.09 2.29 1.04 -1.26 -1.11 113.70 117.61 1yup s SER 150 Ca -0.00 -0.96 0.10 0.00 0.48 0.00 0.00 55.95 55.56 1yup s SER 150 Cb -0.06 -0.18 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 1yup s SER 150 CO -0.00 -0.07 -0.25 -0.36 0.98 0.00 0.00 173.24 173.53 1yup s PHE 151 N -2.52 2.20 0.54 5.02 0.08 0.08 -4.97 117.98 118.42 1yup s PHE 151 Ca 0.21 -0.40 -0.07 0.00 0.12 0.00 0.00 56.93 56.80 1yup s PHE 151 Cb -0.04 -1.25 -0.03 0.00 -0.57 0.00 0.00 43.02 41.13 1yup s PHE 151 CO 0.08 0.22 0.87 0.54 -0.10 0.00 0.00 175.22 176.83 1yup s ASN 152 N -1.64 6.09 0.35 1.36 2.20 -1.26 -4.82 114.94 117.23 1yup s ASN 152 Ca 0.12 1.00 0.13 0.00 -0.94 0.00 0.00 52.86 53.17 1yup s ASN 152 Cb -0.10 -2.17 0.98 0.00 -2.00 0.00 0.00 41.25 37.96 1yup s ASN 152 CO 0.04 -0.77 1.75 -0.65 -2.94 0.00 0.00 177.10 174.53 1yup h PRO 153 N -0.01 0.49 -0.38 3.55 0.11 -1.95 0.10 132.00 133.91 1yup h PRO 153 Ca -0.46 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.46 1yup h PRO 153 Cb 1.21 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1yup h PRO 153 CO 0.62 0.32 -0.39 1.15 -0.21 0.00 0.00 178.00 179.49 1yup h THR 154 N 0.50 1.27 0.17 -1.15 2.02 -1.94 -1.23 112.91 112.56 1yup h THR 154 Ca 0.62 -1.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 1yup h THR 154 Cb 1.34 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1yup h THR 154 CO -0.39 0.52 -0.08 1.56 0.37 0.00 0.00 175.52 177.50 1yup h GLN 155 N 0.76 -0.22 -0.88 6.66 4.20 -1.56 -1.73 115.11 122.35 1yup h GLN 155 Ca 0.06 0.01 0.20 0.00 0.06 0.00 0.00 58.65 58.99 1yup h GLN 155 Cb 0.98 0.05 -0.16 0.00 0.30 0.00 0.00 27.48 28.65 1yup h GLN 155 CO 0.09 -0.00 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.11 1yup h LEU 156 N -0.40 -0.57 -1.55 1.46 3.38 -0.83 -0.70 115.31 116.10 1yup h LEU 156 Ca -0.02 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1yup h LEU 156 Cb 0.31 0.47 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1yup h LEU 156 CO 0.04 -0.27 0.00 -0.33 0.09 0.00 0.00 178.44 177.96 1yup h GLU 157 N 0.04 0.00 -1.40 1.13 5.08 -0.72 -3.18 114.58 115.52 1yup h GLU 157 Ca 0.47 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 58.17 1yup h GLU 157 Cb 0.84 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 29.76 1yup h GLU 157 CO -0.84 0.00 0.28 -1.91 -1.00 0.00 0.00 179.01 175.54 1yup n GLU 158 N -3.03 3.04 0.00 2.33 4.07 -0.27 -5.04 120.64 121.75 1yup n GLU 158 Ca 0.00 -3.80 0.00 0.00 -0.06 0.00 0.00 57.16 53.31 1yup n GLU 158 Cb 0.28 -2.27 0.00 0.00 -0.06 0.00 0.00 31.44 29.39 1yup n GLU 158 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1yup n GLN 159 N -0.66 0.00 0.02 5.31 6.02 -1.21 -1.10 117.38 125.77 1yup n GLN 159 Ca 0.51 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.62 1yup n GLN 159 Cb 0.57 0.00 0.16 0.00 1.02 0.00 0.00 30.24 31.99 1yup n GLN 159 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yup s ARG 161 N -3.09 4.27 0.00 0.00 0.52 -0.26 -4.89 118.95 115.50 1yup s ARG 161 Ca 0.08 2.00 0.00 0.00 -0.52 0.00 0.00 55.73 57.29 1yup s ARG 161 Cb 0.16 -2.93 0.00 0.00 0.52 0.00 0.00 34.95 32.70 1yup s ARG 161 CO 0.74 -0.18 0.33 0.28 0.02 0.00 0.00 175.30 176.49