#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 3.76 -0.77 -2.12 2.96 -1.26 -5.03 118.68 116.22 1yup s LEU 10 Ca 0.00 0.16 -0.15 0.00 -0.22 0.00 0.00 54.13 53.92 1yup s LEU 10 Cb 0.00 -1.90 0.18 0.00 0.50 0.00 0.00 46.19 44.97 1yup s LEU 10 CO 0.00 0.31 0.75 -0.62 -1.32 0.00 0.00 176.35 175.47 1yup s ASP 11 N -0.44 6.60 0.54 3.68 -1.08 -1.26 -4.93 116.67 119.78 1yup s ASP 11 Ca 0.09 -2.35 0.25 0.00 -0.52 0.00 0.00 52.55 50.02 1yup s ASP 11 Cb -0.12 -2.24 1.43 0.00 -1.46 0.00 0.00 42.92 40.54 1yup s ASP 11 CO 0.02 -0.73 2.03 1.62 0.52 0.00 0.00 175.17 178.64 1yup h VAL 12 N 5.20 0.70 0.00 1.11 3.04 -1.97 -2.43 116.25 121.90 1yup h VAL 12 Ca 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.65 1yup h VAL 12 Cb 1.05 0.79 -0.01 0.00 -2.01 0.00 0.00 31.29 31.11 1yup h VAL 12 CO 0.87 0.00 -0.23 1.56 -1.01 0.00 0.00 177.57 178.77 1yup h GLN 13 N 0.00 0.00 -0.01 4.17 1.08 -1.95 -3.14 115.11 115.27 1yup h GLN 13 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1yup h GLN 13 Cb 0.77 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1yup h GLN 13 CO -0.00 0.23 -0.38 1.17 -0.95 0.00 0.00 178.83 178.89 1yup n LYS 14 N -3.19 0.57 0.00 1.46 3.00 -0.92 -3.42 118.16 115.66 1yup n LYS 14 Ca 0.02 -0.36 0.14 0.00 -0.00 0.00 0.00 58.31 58.11 1yup n LYS 14 Cb 0.57 -1.49 0.52 0.00 0.00 0.00 0.00 35.03 34.63 1yup n LYS 14 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1yup n VAL 15 N -0.90 0.00 -1.79 3.15 0.24 -1.18 -4.78 118.33 113.06 1yup n VAL 15 Ca 0.10 -0.06 -0.40 0.00 -2.04 0.00 0.00 64.34 61.93 1yup n VAL 15 Cb 0.35 -0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.73 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 -2.60 3.36 0.00 2.33 0.00 -1.22 -4.64 121.76 118.99 1yup s ALA 16 Ca 0.24 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.72 1yup s ALA 16 Cb 0.19 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1yup s ALA 16 CO 0.52 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.53 1yup n GLY 17 N 0.53 0.35 3.71 0.00 0.00 -0.03 -4.93 105.19 104.82 1yup n GLY 17 Ca 0.04 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 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 4.91 0.13 2.61 2.01 -1.26 -0.71 115.64 123.33 1yup s THR 18 Ca 0.00 1.86 0.03 0.00 0.31 0.00 0.00 61.69 63.89 1yup s THR 18 Cb 0.00 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 1yup s THR 18 CO 0.00 0.17 -0.07 0.26 -0.69 0.00 0.00 174.62 174.29 1yup s TRP 19 N 1.08 1.10 -0.03 4.92 0.52 -0.65 -4.58 118.94 121.30 1yup s TRP 19 Ca 0.47 -0.86 0.03 0.00 0.02 0.00 0.00 56.10 55.75 1yup s TRP 19 Cb -0.20 -0.60 0.00 0.00 -1.15 0.00 0.00 33.47 31.53 1yup s TRP 19 CO 0.24 -0.06 -0.10 0.71 0.02 0.00 0.00 176.95 177.76 1yup s TYR 20 N -3.50 1.06 -0.56 -1.98 1.51 0.81 -4.00 117.35 110.70 1yup s TYR 20 Ca 0.16 -0.28 -0.27 0.00 -1.01 0.00 0.00 57.07 55.66 1yup s TYR 20 Cb 0.04 -0.76 -0.01 0.00 -0.11 0.00 0.00 41.96 41.12 1yup s TYR 20 CO -0.01 -0.13 1.77 -1.12 -1.11 0.00 0.00 175.55 174.96 1yup s SER 21 N 0.25 5.52 -0.04 2.29 0.01 -1.24 -0.33 113.70 120.16 1yup s SER 21 Ca -0.05 0.49 -0.20 0.00 1.31 0.00 0.00 55.95 57.51 1yup s SER 21 Cb -0.10 -2.53 -0.32 0.00 0.21 0.00 0.00 66.02 63.29 1yup s SER 21 CO 0.01 -2.15 0.85 0.25 0.41 0.00 0.00 173.24 172.61 1yup h LEU 22 N 15.39 0.52 -8.25 2.44 6.46 -1.07 -3.45 115.31 127.35 1yup h LEU 22 Ca -0.27 -0.93 -0.14 0.00 -0.12 0.00 0.00 57.88 56.42 1yup h LEU 22 Cb 1.15 -0.17 -0.15 0.00 -0.73 0.00 0.00 40.66 40.76 1yup h LEU 22 CO 1.18 1.49 -0.62 0.00 -0.62 0.00 0.00 178.44 179.87 1yup s ALA 23 N -2.47 0.53 -0.22 1.25 0.00 -1.18 -0.98 121.76 118.69 1yup s ALA 23 Ca -0.14 -1.22 -0.24 0.00 0.00 0.00 0.00 51.96 50.36 1yup s ALA 23 Cb 0.02 0.52 0.07 0.00 0.00 0.00 0.00 23.12 23.72 1yup s ALA 23 CO 0.84 -0.44 0.67 0.00 0.00 0.00 0.00 175.76 176.83 1yup s MET 24 N -3.96 0.82 0.07 0.00 0.23 0.62 -1.45 119.30 115.63 1yup s MET 24 Ca 0.13 0.83 0.02 0.00 -1.03 0.00 0.00 55.69 55.64 1yup s MET 24 Cb 0.07 0.40 -0.03 0.00 -1.53 0.00 0.00 34.83 33.74 1yup s MET 24 CO -0.06 -0.13 -0.07 0.00 -2.03 0.00 0.00 175.02 172.74 1yup s ALA 25 N 0.12 0.74 0.01 3.16 0.00 0.09 0.53 121.76 126.41 1yup s ALA 25 Ca -0.02 -1.04 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 1yup s ALA 25 Cb -0.04 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 1yup s ALA 25 CO 0.02 -0.13 0.06 0.00 0.00 0.00 0.00 175.76 175.71 1yup s ALA 26 N -2.48 -0.11 0.27 0.00 0.00 -0.84 -0.05 121.76 118.55 1yup s ALA 26 Ca 0.00 -0.34 0.19 0.00 0.00 0.00 0.00 51.96 51.82 1yup s ALA 26 Cb -0.02 0.12 0.87 0.00 0.00 0.00 0.00 23.12 24.09 1yup s ALA 26 CO -0.02 -0.18 1.83 0.66 0.00 0.00 0.00 175.76 178.05 1yup h SER 27 N 4.51 0.00 -3.20 0.00 4.64 -1.24 -1.12 113.55 117.15 1yup h SER 27 Ca -0.31 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.34 1yup h SER 27 Cb 1.20 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.97 1yup h SER 27 CO 0.41 0.31 -0.81 -0.62 -0.87 0.00 0.00 176.83 175.26 1yup s ASP 28 N -6.49 3.59 0.25 4.97 -1.08 -1.26 -3.73 116.67 112.92 1yup s ASP 28 Ca -0.01 -0.56 -0.03 0.00 -0.52 0.00 0.00 52.55 51.43 1yup s ASP 28 Cb 0.12 -1.58 0.49 0.00 -1.46 0.00 0.00 42.92 40.49 1yup s ASP 28 CO 0.67 -0.01 1.75 0.40 0.52 0.00 0.00 175.17 178.50 1yup h ILE 29 N 5.86 0.70 0.00 4.11 2.04 -1.86 -2.00 117.51 126.37 1yup h ILE 29 Ca -0.44 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1yup h ILE 29 Cb 1.15 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1yup h ILE 29 CO 0.62 0.10 -0.01 0.77 0.00 0.00 0.00 178.15 179.64 1yup h SER 30 N 0.53 0.00 0.61 1.72 4.64 -1.95 0.80 113.55 119.90 1yup h SER 30 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1yup h SER 30 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1yup h SER 30 CO -0.38 0.01 0.00 -0.07 -0.87 0.00 0.00 176.83 175.52 1yup h LEU 31 N 0.00 0.00 -0.21 5.97 3.38 -1.77 -3.33 115.31 119.36 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 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1yup h LEU 31 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 178.44 178.42 1yup n LEU 32 N -2.74 0.21 -4.24 1.67 7.94 -0.82 -0.65 117.00 118.36 1yup n LEU 32 Ca 0.00 -0.27 -0.43 0.00 -1.11 0.00 0.00 56.01 54.20 1yup n LEU 32 Cb 0.20 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.11 1yup n LEU 32 CO 0.21 0.05 0.29 -0.62 -1.11 0.00 0.00 177.39 176.22 1yup s ASP 33 N -0.14 6.21 0.00 1.96 2.15 0.21 -4.81 116.67 122.26 1yup s ASP 33 Ca 0.00 -2.80 0.00 0.00 0.43 0.00 0.00 52.55 50.18 1yup s ASP 33 Cb 0.00 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 1yup s ASP 33 CO 0.00 -0.48 0.00 0.00 -0.17 0.00 0.00 175.17 174.52 1yup n ALA 34 N 3.73 0.00 0.30 3.66 0.00 -1.26 -4.71 120.51 122.22 1yup n ALA 34 Ca 0.12 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.73 1yup n ALA 34 Cb 0.43 0.00 0.93 0.00 0.00 0.00 0.00 19.45 20.81 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 -0.14 0.00 1.08 -1.98 -1.99 115.11 112.09 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 0.00 -1.13 -0.95 0.00 0.00 178.83 176.79 1yup n SER 36 N -3.42 2.99 -4.65 1.46 3.41 -1.26 -4.43 113.62 107.72 1yup n SER 36 Ca -0.02 -1.93 -0.38 0.00 -0.26 0.00 0.00 58.87 56.28 1yup n SER 36 Cb 0.16 -0.08 0.04 0.00 -0.26 0.00 0.00 64.21 64.08 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 1.28 0.57 -0.17 7.33 0.00 -0.75 -4.89 120.51 123.87 1yup n ALA 37 Ca 0.14 0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.74 1yup n ALA 37 Cb 0.56 -2.18 0.38 0.00 0.00 0.00 0.00 19.45 18.21 1yup n ALA 37 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1yup h PRO 38 N 0.89 0.66 -0.71 0.00 0.13 -1.78 -2.57 132.00 128.61 1yup h PRO 38 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1yup h PRO 38 Cb 1.34 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1yup h PRO 38 CO 0.53 0.44 0.00 1.28 -0.23 0.00 0.00 178.00 180.02 1yup n LEU 39 N -4.49 4.25 -3.69 1.56 4.77 0.18 -4.69 117.00 114.89 1yup n LEU 39 Ca 0.11 -2.15 -0.42 0.00 -0.03 0.00 0.00 56.01 53.53 1yup n LEU 39 Cb 0.28 -0.52 -0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1yup n LEU 39 CO 0.33 0.94 2.46 -1.14 -1.33 0.00 0.00 177.39 178.65 1yup n ARG 40 N 1.49 3.51 -4.48 3.23 3.00 -0.97 -4.92 116.66 117.53 1yup n ARG 40 Ca 0.25 -3.03 -0.33 0.00 -0.00 0.00 0.00 57.85 54.73 1yup n ARG 40 Cb 0.71 -2.99 -0.10 0.00 0.00 0.00 0.00 32.46 30.08 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 1.34 3.88 -0.26 5.15 -7.23 -1.26 -4.55 120.40 117.46 1yup s VAL 41 Ca 0.48 -0.53 -0.05 0.00 -1.81 0.00 0.00 61.98 60.07 1yup s VAL 41 Cb 0.13 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 34.44 1yup s VAL 41 CO -0.05 0.51 0.02 -0.31 -0.31 0.00 0.00 175.10 174.97 1yup s TYR 42 N -0.92 3.08 0.19 2.82 1.51 -0.25 -4.94 117.35 118.85 1yup s TYR 42 Ca 0.15 -1.04 -0.30 0.00 -1.01 0.00 0.00 57.07 54.87 1yup s TYR 42 Cb -0.11 -2.18 -0.08 0.00 -0.11 0.00 0.00 41.96 39.48 1yup s TYR 42 CO 0.05 -0.58 1.24 0.08 -1.11 0.00 0.00 175.55 175.22 1yup s VAL 43 N 1.47 3.43 -0.13 0.71 1.01 -1.26 -1.00 120.40 124.62 1yup s VAL 43 Ca 0.03 1.20 0.03 0.00 0.00 0.00 0.00 61.98 63.24 1yup s VAL 43 Cb -0.16 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 1yup s VAL 43 CO -0.00 0.19 -0.09 -0.62 0.00 0.00 0.00 175.10 174.58 1yup n GLU 44 N 2.53 0.76 -3.57 2.72 1.02 0.50 -3.73 120.64 120.87 1yup n GLU 44 Ca 0.05 0.06 -0.16 0.00 -0.02 0.00 0.00 57.16 57.09 1yup n GLU 44 Cb 0.44 -1.28 -0.07 0.00 -0.02 0.00 0.00 31.44 30.51 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 -2.28 0.95 -0.15 3.49 2.12 -1.04 -1.64 118.70 120.16 1yup s GLU 45 Ca -0.16 0.59 -0.00 0.00 0.36 0.00 0.00 54.97 55.76 1yup s GLU 45 Cb 0.05 0.46 -0.01 0.00 0.26 0.00 0.00 34.13 34.88 1yup s GLU 45 CO 0.35 -0.22 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.21 1yup s LEU 46 N -0.47 2.64 -0.35 2.70 1.02 0.11 -0.91 118.68 123.42 1yup s LEU 46 Ca -0.06 -0.38 0.01 0.00 0.02 0.00 0.00 54.13 53.72 1yup s LEU 46 Cb -0.02 -1.60 0.11 0.00 0.02 0.00 0.00 46.19 44.69 1yup s LEU 46 CO 0.06 0.12 0.12 -0.54 0.02 0.00 0.00 176.35 176.13 1yup s LYS 47 N 0.61 1.10 0.63 1.70 -0.14 0.13 -0.85 119.74 122.91 1yup s LYS 47 Ca -0.08 -1.55 -0.18 0.00 -1.36 0.00 0.00 55.97 52.80 1yup s LYS 47 Cb -0.16 -2.47 -0.02 0.00 -1.68 0.00 0.00 37.83 33.50 1yup s LYS 47 CO 0.03 -1.01 1.25 -2.14 -0.76 0.00 0.00 175.35 172.72 1yup s PRO 48 N 1.09 2.73 0.47 -1.68 0.02 -1.26 -0.96 135.00 135.41 1yup s PRO 48 Ca 0.12 1.94 -0.01 0.00 0.02 0.00 0.00 61.00 63.07 1yup s PRO 48 Cb -0.19 -1.88 -0.00 0.00 0.02 0.00 0.00 34.50 32.44 1yup s PRO 48 CO -0.14 -1.43 0.71 0.95 -0.33 0.00 0.00 177.00 176.76 1yup s THR 49 N -1.52 4.00 0.25 0.99 -4.23 -0.19 -4.85 115.64 110.09 1yup s THR 49 Ca 0.80 -0.38 -0.04 0.00 -1.18 0.00 0.00 61.69 60.88 1yup s THR 49 Cb -0.34 -3.50 0.23 0.00 1.34 0.00 0.00 72.50 70.24 1yup s THR 49 CO 0.37 -0.38 1.86 -0.65 -0.54 0.00 0.00 174.62 175.27 1yup h PRO 50 N 0.30 0.99 -0.40 3.99 0.11 -1.97 -2.43 132.00 132.60 1yup h PRO 50 Ca -0.46 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1yup h PRO 50 Cb 1.25 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1yup h PRO 50 CO 0.58 0.66 0.00 0.41 -0.21 0.00 0.00 178.00 179.44 1yup n GLY 51 N -1.34 0.04 1.44 -0.55 0.00 -1.26 -4.89 105.19 98.62 1yup n GLY 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.28 0.69 3.85 -0.02 0.00 -0.91 -4.98 105.19 104.09 1yup n GLY 52 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.14 4.39 -0.10 1.61 1.01 -1.26 -4.58 116.67 115.59 1yup s ASP 53 Ca 0.00 0.99 0.01 0.00 0.71 0.00 0.00 52.55 54.26 1yup s ASP 53 Cb 0.00 -1.61 0.02 0.00 1.01 0.00 0.00 42.92 42.34 1yup s ASP 53 CO 0.00 -2.00 -0.12 -0.22 0.21 0.00 0.00 175.17 173.04 1yup s LEU 54 N -5.71 1.55 -0.22 1.23 2.96 0.40 -1.03 118.68 117.87 1yup s LEU 54 Ca 0.62 -0.37 -0.15 0.00 -0.22 0.00 0.00 54.13 54.01 1yup s LEU 54 Cb -0.13 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.56 1yup s LEU 54 CO 0.52 -0.03 0.37 -0.70 -1.32 0.00 0.00 176.35 175.19 1yup s GLU 55 N 1.17 4.13 -0.22 1.98 2.12 -0.13 0.84 118.70 128.59 1yup s GLU 55 Ca -0.04 0.13 -0.07 0.00 0.36 0.00 0.00 54.97 55.35 1yup s GLU 55 Cb -0.14 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.66 1yup s GLU 55 CO -0.03 -0.08 0.05 0.42 -0.54 0.00 0.00 175.26 175.09 1yup s ILE 56 N 1.44 4.38 -0.22 -3.70 1.01 0.99 0.20 121.20 125.30 1yup s ILE 56 Ca 0.17 -0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.60 1yup s ILE 56 Cb -0.15 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 1yup s ILE 56 CO 0.08 0.39 0.05 -0.76 0.00 0.00 0.00 174.94 174.70 1yup s LEU 57 N 1.14 3.44 0.27 2.97 2.01 -0.09 -1.02 118.68 127.40 1yup s LEU 57 Ca 0.04 -0.16 0.02 0.00 0.01 0.00 0.00 54.13 54.03 1yup s LEU 57 Cb -0.14 -1.90 -0.04 0.00 0.01 0.00 0.00 46.19 44.11 1yup s LEU 57 CO 0.03 0.03 0.13 -1.48 1.01 0.00 0.00 176.35 176.06 1yup s LEU 58 N 1.24 1.57 0.10 1.79 0.05 -0.35 -0.37 118.68 122.70 1yup s LEU 58 Ca 0.04 -1.46 0.10 0.00 0.05 0.00 0.00 54.13 52.87 1yup s LEU 58 Cb -0.15 0.16 -0.04 0.00 -2.05 0.00 0.00 46.19 44.12 1yup s LEU 58 CO 0.03 -0.81 -0.27 -1.10 -0.55 0.00 0.00 176.35 173.65 1yup s GLN 59 N -3.97 1.57 -0.20 1.48 -0.21 -0.17 -1.57 119.66 116.58 1yup s GLN 59 Ca 0.37 -1.25 -0.11 0.00 0.02 0.00 0.00 55.36 54.39 1yup s GLN 59 Cb 0.07 -1.94 0.07 0.00 1.00 0.00 0.00 33.01 32.21 1yup s GLN 59 CO 0.15 0.48 0.49 0.21 -2.12 0.00 0.00 175.29 174.49 1yup s LYS 60 N -1.73 0.47 -0.19 2.91 2.47 -0.56 -1.09 119.74 122.02 1yup s LYS 60 Ca 0.13 0.93 -0.28 0.00 -1.56 0.00 0.00 55.97 55.19 1yup s LYS 60 Cb -0.10 0.06 -0.05 0.00 -1.46 0.00 0.00 37.83 36.28 1yup s LYS 60 CO 0.04 -0.16 2.15 -1.58 0.16 0.00 0.00 175.35 175.96 1yup s TRP 61 N 1.58 1.23 -0.05 4.03 0.52 -1.26 -1.54 118.94 123.45 1yup s TRP 61 Ca -0.09 0.41 -0.09 0.00 0.02 0.00 0.00 56.10 56.35 1yup s TRP 61 Cb -0.08 -3.98 -0.03 0.00 -1.15 0.00 0.00 33.47 28.23 1yup s TRP 61 CO -0.15 -4.19 -0.18 -0.85 0.02 0.00 0.00 176.95 171.60 1yup n GLU 62 N 8.56 0.27 -2.99 4.98 0.28 -0.92 -4.83 120.64 125.99 1yup n GLU 62 Ca 0.28 0.11 -0.20 0.00 -0.16 0.00 0.00 57.16 57.19 1yup n GLU 62 Cb 0.45 -0.95 -0.02 0.00 1.43 0.00 0.00 31.44 32.35 1yup n GLU 62 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1yup n ASN 63 N -3.86 2.21 0.00 -1.84 2.85 -1.26 -4.83 115.26 108.52 1yup n ASN 63 Ca -0.07 -3.20 0.00 0.00 -0.11 0.00 0.00 54.58 51.20 1yup n ASN 63 Cb 0.26 -0.58 0.00 0.00 1.24 0.00 0.00 39.78 40.71 1yup n ASN 63 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1yup n GLY 64 N 0.03 1.81 3.06 8.20 0.00 -1.26 -4.99 105.19 112.04 1yup n GLY 64 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.02 0.56 0.17 1.61 2.20 -1.26 -5.12 119.74 117.88 1yup s LYS 65 Ca 0.00 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.60 1yup s LYS 65 Cb 0.00 -0.39 -0.08 0.00 -1.51 0.00 0.00 37.83 35.85 1yup s LYS 65 CO 0.00 0.08 1.31 0.00 -0.36 0.00 0.00 175.35 176.38 1yup s ALA 67 N 0.37 0.35 0.15 0.00 0.00 -0.59 -4.94 121.76 117.11 1yup s ALA 67 Ca 0.58 -0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 1yup s ALA 67 Cb -0.36 -0.06 -0.07 0.00 0.00 0.00 0.00 23.12 22.63 1yup s ALA 67 CO 0.36 0.06 0.99 -1.14 0.00 0.00 0.00 175.76 176.03 1yup s GLN 68 N -0.33 4.70 -0.02 0.00 0.74 -1.26 -1.49 119.66 122.00 1yup s GLN 68 Ca -0.01 1.53 0.08 0.00 0.05 0.00 0.00 55.36 57.01 1yup s GLN 68 Cb -0.03 -3.34 -0.02 0.00 1.10 0.00 0.00 33.01 30.73 1yup s GLN 68 CO -0.00 0.23 -0.25 0.21 -0.55 0.00 0.00 175.29 174.92 1yup s LYS 69 N -0.29 2.07 -0.15 1.67 2.20 -0.61 -4.96 119.74 119.67 1yup s LYS 69 Ca 0.47 -0.91 -0.04 0.00 -0.36 0.00 0.00 55.97 55.13 1yup s LYS 69 Cb -0.25 -2.00 -0.03 0.00 -1.51 0.00 0.00 37.83 34.04 1yup s LYS 69 CO 0.31 0.54 -0.02 0.15 -0.36 0.00 0.00 175.35 175.98 1yup s LYS 70 N -0.59 3.61 -0.06 4.03 1.02 -1.26 -1.21 119.74 125.29 1yup s LYS 70 Ca 0.09 -0.47 0.05 0.00 0.02 0.00 0.00 55.97 55.66 1yup s LYS 70 Cb -0.10 -2.94 -0.00 0.00 -0.52 0.00 0.00 37.83 34.27 1yup s LYS 70 CO -0.01 0.32 -0.20 0.42 -0.92 0.00 0.00 175.35 174.96 1yup s ILE 71 N 0.16 1.70 -0.18 2.17 1.01 -0.19 -4.97 121.20 120.90 1yup s ILE 71 Ca -0.00 -0.85 -0.16 0.00 0.00 0.00 0.00 60.65 59.63 1yup s ILE 71 Cb -0.13 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 1yup s ILE 71 CO 0.02 0.48 0.41 -0.63 0.00 0.00 0.00 174.94 175.22 1yup s ILE 72 N 0.06 5.20 -0.33 2.92 -1.09 -1.26 -0.01 121.20 126.69 1yup s ILE 72 Ca -0.07 0.75 -0.11 0.00 -2.23 0.00 0.00 60.65 59.00 1yup s ILE 72 Cb -0.13 -3.74 -0.01 0.00 -1.58 0.00 0.00 42.46 36.99 1yup s ILE 72 CO 0.04 0.27 0.19 0.00 -1.23 0.00 0.00 174.94 174.21 1yup s ALA 73 N 1.14 3.37 -0.05 9.38 0.00 0.25 -4.39 121.76 131.45 1yup s ALA 73 Ca 0.20 -1.41 -0.20 0.00 0.00 0.00 0.00 51.96 50.56 1yup s ALA 73 Cb -0.15 -2.51 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 1yup s ALA 73 CO 0.08 -0.96 0.55 -1.21 0.00 0.00 0.00 175.76 174.22 1yup s GLU 74 N 1.66 4.31 0.76 0.00 2.02 0.13 -0.45 118.70 127.12 1yup s GLU 74 Ca 0.05 0.62 -0.12 0.00 0.02 0.00 0.00 54.97 55.55 1yup s GLU 74 Cb -0.17 -3.38 0.05 0.00 0.10 0.00 0.00 34.13 30.73 1yup s GLU 74 CO 0.08 0.27 1.10 -1.59 0.02 0.00 0.00 175.26 175.15 1yup s LYS 75 N 0.18 2.25 0.27 1.61 -2.85 -1.26 -0.54 119.74 119.41 1yup s LYS 75 Ca 0.29 1.27 0.02 0.00 -1.00 0.00 0.00 55.97 56.56 1yup s LYS 75 Cb -0.17 -1.89 -0.05 0.00 -2.06 0.00 0.00 37.83 33.67 1yup s LYS 75 CO 0.14 -1.66 0.12 0.95 0.10 0.00 0.00 175.35 175.00 1yup s THR 76 N -2.72 0.46 0.46 3.79 -4.23 -1.22 -4.76 115.64 107.42 1yup s THR 76 Ca 0.63 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.47 1yup s THR 76 Cb -0.19 -2.59 0.52 0.00 1.34 0.00 0.00 72.50 71.58 1yup s THR 76 CO 0.53 0.00 1.65 -0.33 -0.54 0.00 0.00 174.62 175.93 1yup h GLU 77 N 2.33 0.10 -5.41 3.99 5.08 -1.97 -3.39 114.58 115.31 1yup h GLU 77 Ca -0.37 -0.01 -0.60 0.00 -1.00 0.00 0.00 59.36 57.39 1yup h GLU 77 Cb 1.25 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 30.36 1yup h GLU 77 CO 0.58 0.06 -0.22 0.42 -1.00 0.00 0.00 179.01 178.85 1yup s ILE 78 N -5.23 5.21 0.00 3.13 -1.09 -1.26 -5.03 121.20 116.94 1yup s ILE 78 Ca -0.07 0.67 0.00 0.00 -2.23 0.00 0.00 60.65 59.02 1yup s ILE 78 Cb 0.28 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 1yup s ILE 78 CO 0.83 0.27 0.56 -2.65 -1.23 0.00 0.00 174.94 172.71 1yup n PRO 79 N 4.40 0.00 -1.90 2.79 -0.02 -1.26 -3.12 135.00 135.89 1yup n PRO 79 Ca -0.09 0.56 -0.36 0.00 -2.02 0.00 0.00 63.50 61.59 1yup n PRO 79 Cb 0.51 -0.92 0.04 0.00 -0.02 0.00 0.00 33.50 33.11 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 -1.91 6.20 -3.60 3.55 0.00 -1.26 -4.69 120.51 118.81 1yup n ALA 80 Ca 0.00 -4.02 -0.22 0.00 0.00 0.00 0.00 53.44 49.20 1yup n ALA 80 Cb 0.00 -1.66 -0.16 0.00 0.00 0.00 0.00 19.45 17.63 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 -5.08 -0.17 0.14 0.00 1.01 -1.18 -1.71 120.40 113.40 1yup s VAL 81 Ca 0.54 -0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.59 1yup s VAL 81 Cb 0.45 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 36.28 1yup s VAL 81 CO -0.29 -0.15 -0.11 -0.36 0.00 0.00 0.00 175.10 174.19 1yup s PHE 82 N 2.21 2.65 -0.16 5.22 0.40 -0.17 -3.45 117.98 124.69 1yup s PHE 82 Ca 0.04 -0.21 -0.12 0.00 -0.60 0.00 0.00 56.93 56.04 1yup s PHE 82 Cb -0.15 -1.35 -0.05 0.00 0.51 0.00 0.00 43.02 41.98 1yup s PHE 82 CO -0.09 0.46 0.24 0.15 0.70 0.00 0.00 175.22 176.68 1yup s LYS 83 N -2.48 4.16 0.19 0.44 1.02 0.30 -1.56 119.74 121.82 1yup s LYS 83 Ca 0.22 -0.01 0.07 0.00 0.02 0.00 0.00 55.97 56.27 1yup s LYS 83 Cb -0.10 -3.40 -0.05 0.00 -0.52 0.00 0.00 37.83 33.77 1yup s LYS 83 CO 0.14 0.32 -0.12 0.96 -0.92 0.00 0.00 175.35 175.72 1yup s ILE 84 N 0.25 1.55 -0.48 2.17 -4.36 -1.09 -0.70 121.20 118.54 1yup s ILE 84 Ca 0.14 -2.16 0.04 0.00 -0.26 0.00 0.00 60.65 58.41 1yup s ILE 84 Cb -0.12 -2.01 0.17 0.00 1.25 0.00 0.00 42.46 41.74 1yup s ILE 84 CO 0.02 -0.62 0.37 -0.62 0.24 0.00 0.00 174.94 174.33 1yup s ASP 85 N -3.28 2.39 -0.05 4.36 -1.08 -1.26 -4.04 116.67 113.70 1yup s ASP 85 Ca 0.21 -3.22 -0.29 0.00 -0.52 0.00 0.00 52.55 48.73 1yup s ASP 85 Cb 0.01 -0.75 0.10 0.00 -1.46 0.00 0.00 42.92 40.82 1yup s ASP 85 CO 0.05 -0.16 0.87 0.00 0.52 0.00 0.00 175.17 176.46 1yup s ALA 86 N -0.28 -1.83 -1.24 3.66 0.00 -1.16 -4.95 121.76 115.95 1yup s ALA 86 Ca 0.30 1.21 -0.03 0.00 0.00 0.00 0.00 51.96 53.44 1yup s ALA 86 Cb 0.00 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1yup s ALA 86 CO -0.18 -0.52 0.22 1.28 0.00 0.00 0.00 175.76 176.56 1yup n LEU 87 N 0.25 -1.53 0.00 0.00 4.77 -1.26 -1.23 117.00 118.00 1yup n LEU 87 Ca -0.11 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1yup n LEU 87 Cb 0.60 -2.32 0.00 0.00 -2.33 0.00 0.00 43.42 39.37 1yup n LEU 87 CO 0.15 -0.01 0.00 0.59 -1.33 0.00 0.00 177.39 176.79 1yup n ASN 88 N -2.05 -2.01 -4.91 -1.43 3.02 -1.26 -4.97 115.26 101.65 1yup n ASN 88 Ca -0.11 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.16 1yup n ASN 88 Cb 0.60 -2.58 -0.02 0.00 -0.61 0.00 0.00 39.78 37.17 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 -1.23 3.61 0.00 3.52 0.41 -0.36 -4.60 118.70 120.05 1yup s GLU 89 Ca 0.00 0.08 0.00 0.00 -0.41 0.00 0.00 54.97 54.64 1yup s GLU 89 Cb 0.00 -2.53 0.00 0.00 -1.78 0.00 0.00 34.13 29.82 1yup s GLU 89 CO 0.00 0.05 0.76 0.27 -0.49 0.00 0.00 175.26 175.85 1yup n ASN 90 N -1.50 1.19 -3.77 -0.19 0.23 -0.11 -2.99 115.26 108.13 1yup n ASN 90 Ca -0.01 -1.56 -0.13 0.00 -0.53 0.00 0.00 54.58 52.35 1yup n ASN 90 Cb 0.55 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.15 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 -0.56 0.52 -0.10 -3.83 1.02 -0.46 -2.68 119.74 113.65 1yup s LYS 91 Ca 0.00 0.11 0.03 0.00 0.02 0.00 0.00 55.97 56.12 1yup s LYS 91 Cb 0.00 0.24 0.01 0.00 -0.52 0.00 0.00 37.83 37.56 1yup s LYS 91 CO 0.00 -0.11 -0.19 0.08 -0.92 0.00 0.00 175.35 174.21 1yup s VAL 92 N -0.62 1.70 -0.28 3.17 1.01 -0.60 -1.89 120.40 122.90 1yup s VAL 92 Ca -0.07 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1yup s VAL 92 Cb -0.04 -1.51 0.07 0.00 0.00 0.00 0.00 36.38 34.90 1yup s VAL 92 CO 0.02 0.48 -0.06 -0.76 0.00 0.00 0.00 175.10 174.78 1yup s LEU 93 N 0.67 3.77 -0.32 3.92 2.01 -0.23 -1.00 118.68 127.50 1yup s LEU 93 Ca -0.13 -1.60 -0.29 0.00 0.01 0.00 0.00 54.13 52.12 1yup s LEU 93 Cb -0.16 -1.55 -0.00 0.00 0.01 0.00 0.00 46.19 44.49 1yup s LEU 93 CO 0.03 -0.25 1.38 -0.69 1.01 0.00 0.00 176.35 177.83 1yup s VAL 94 N 1.06 4.01 -0.04 -1.59 1.01 -0.69 -0.92 120.40 123.24 1yup s VAL 94 Ca -0.03 1.12 -0.23 0.00 0.00 0.00 0.00 61.98 62.83 1yup s VAL 94 Cb -0.20 -4.11 -0.24 0.00 0.00 0.00 0.00 36.38 31.84 1yup s VAL 94 CO -0.06 -0.53 1.03 -0.07 0.00 0.00 0.00 175.10 175.48 1yup h LEU 95 N 11.36 0.30 -7.00 3.92 4.07 -0.88 -3.47 115.31 123.62 1yup h LEU 95 Ca -0.28 -0.78 0.03 0.00 0.08 0.00 0.00 57.88 56.93 1yup h LEU 95 Cb 1.11 -0.09 -0.24 0.00 1.08 0.00 0.00 40.66 42.51 1yup h LEU 95 CO 1.04 1.04 0.36 -0.62 -1.08 0.00 0.00 178.44 179.19 1yup s ASP 96 N -6.43 -0.53 0.02 -0.43 2.15 -1.19 -5.01 116.67 105.24 1yup s ASP 96 Ca -0.15 0.98 -0.17 0.00 0.43 0.00 0.00 52.55 53.64 1yup s ASP 96 Cb 0.01 0.98 0.03 0.00 -0.30 0.00 0.00 42.92 43.64 1yup s ASP 96 CO 0.76 -0.21 0.37 0.28 -0.17 0.00 0.00 175.17 176.20 1yup s THR 97 N 0.10 0.06 -0.99 1.71 -1.32 -1.26 -1.61 115.64 112.33 1yup s THR 97 Ca 0.01 -0.49 0.08 0.00 -1.21 0.00 0.00 61.69 60.09 1yup s THR 97 Cb -0.04 -0.85 0.10 0.00 -1.51 0.00 0.00 72.50 70.20 1yup s THR 97 CO -0.03 -0.27 0.85 -0.90 -2.21 0.00 0.00 174.62 172.06 1yup n ASP 98 N 0.79 1.91 0.00 8.08 5.75 -1.16 -5.02 116.55 126.90 1yup n ASP 98 Ca -0.19 -1.48 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 1yup n ASP 98 Cb 0.58 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 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 0.44 0.00 0.59 2.11 4.01 -1.25 -4.61 117.16 118.45 1yup n TYR 99 Ca 0.06 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.88 1yup n TYR 99 Cb 0.25 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.17 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 1.09 0.00 -0.72 5.02 -1.26 -4.77 118.16 117.51 1yup n LYS 100 Ca 0.00 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1yup n LYS 100 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1yup n LYS 100 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1yup n LYS 101 N -1.60 0.00 -3.84 1.97 4.81 -1.26 -4.77 118.16 113.47 1yup n LYS 101 Ca 0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.34 1yup n LYS 101 Cb 0.32 -0.37 -0.09 0.00 0.02 0.00 0.00 35.03 34.91 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 -1.73 -0.02 -0.01 5.64 1.13 -1.26 -2.35 117.35 118.75 1yup s TYR 102 Ca 0.00 -0.04 0.00 0.00 -1.41 0.00 0.00 57.07 55.63 1yup s TYR 102 Cb 0.00 -0.01 0.01 0.00 -1.10 0.00 0.00 41.96 40.86 1yup s TYR 102 CO 0.00 -0.32 -0.01 -1.17 -2.51 0.00 0.00 175.55 171.54 1yup s LEU 103 N -1.40 1.68 -0.09 -3.49 0.20 -0.72 -2.99 118.68 111.87 1yup s LEU 103 Ca -0.14 -0.02 0.03 0.00 0.69 0.00 0.00 54.13 54.69 1yup s LEU 103 Cb -0.07 -0.12 -0.01 0.00 -0.43 0.00 0.00 46.19 45.56 1yup s LEU 103 CO 0.02 -0.03 -0.19 -0.76 -0.29 0.00 0.00 176.35 175.10 1yup s LEU 104 N 0.36 2.38 0.17 -0.68 1.43 -0.63 -0.41 118.68 121.29 1yup s LEU 104 Ca -0.03 -0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 52.56 1yup s LEU 104 Cb -0.06 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 1yup s LEU 104 CO -0.01 0.22 0.30 0.72 0.23 0.00 0.00 176.35 177.81 1yup s PHE 105 N 0.01 0.37 0.09 0.29 -0.71 -1.08 -0.16 117.98 116.79 1yup s PHE 105 Ca -0.07 -0.74 0.04 0.00 -1.04 0.00 0.00 56.93 55.13 1yup s PHE 105 Cb -0.15 -0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.60 1yup s PHE 105 CO 0.05 -0.73 -0.12 0.00 -1.34 0.00 0.00 175.22 173.08 1yup s MET 107 N -2.45 1.21 0.19 0.00 0.23 0.72 -1.06 119.30 118.14 1yup s MET 107 Ca 0.04 -0.72 -0.20 0.00 -1.03 0.00 0.00 55.69 53.77 1yup s MET 107 Cb -0.05 -1.23 0.04 0.00 -1.53 0.00 0.00 34.83 32.06 1yup s MET 107 CO 0.01 0.32 0.59 -1.83 -2.03 0.00 0.00 175.02 172.08 1yup s GLU 108 N -0.81 1.40 -0.31 3.16 -1.05 -0.79 -1.49 118.70 118.81 1yup s GLU 108 Ca 0.05 -0.72 -0.06 0.00 -0.15 0.00 0.00 54.97 54.10 1yup s GLU 108 Cb -0.07 0.56 0.03 0.00 -0.44 0.00 0.00 34.13 34.21 1yup s GLU 108 CO 0.01 -0.61 0.07 1.21 0.95 0.00 0.00 175.26 176.88 1yup s ASN 109 N -2.83 5.09 0.58 0.83 3.84 -1.26 -0.93 114.94 120.27 1yup s ASN 109 Ca 0.06 -0.96 0.28 0.00 0.21 0.00 0.00 52.86 52.45 1yup s ASN 109 Cb -0.02 -1.84 1.73 0.00 -0.55 0.00 0.00 41.25 40.58 1yup s ASN 109 CO -0.06 -0.25 2.21 0.28 -2.79 0.00 0.00 177.10 176.49 1yup h SER 110 N 8.18 0.00 -0.50 -4.21 0.02 -1.93 0.26 113.55 115.37 1yup h SER 110 Ca -0.27 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.64 1yup h SER 110 Cb 1.10 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 1yup h SER 110 CO 0.59 0.00 0.18 0.00 -1.14 0.00 0.00 176.83 176.46 1yup h ALA 111 N 1.94 0.65 -2.17 3.77 0.00 -1.99 -3.35 119.26 118.11 1yup h ALA 111 Ca 0.02 -0.17 -0.58 0.00 0.00 0.00 0.00 54.91 54.19 1yup h ALA 111 Cb 0.13 -0.19 -0.41 0.00 0.00 0.00 0.00 17.79 17.31 1yup h ALA 111 CO -0.00 0.28 -0.74 -1.91 0.00 0.00 0.00 179.25 176.88 1yup n GLU 112 N -4.53 2.32 0.06 0.00 0.00 0.05 -4.99 120.64 113.55 1yup n GLU 112 Ca 0.02 -4.39 0.06 0.00 0.00 0.00 0.00 57.16 52.84 1yup n GLU 112 Cb 0.17 -2.05 0.27 0.00 0.00 0.00 0.00 31.44 29.84 1yup n GLU 112 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1yup n PRO 113 N 0.58 0.06 -0.02 5.31 -0.04 -1.04 -2.25 135.00 137.61 1yup n PRO 113 Ca 0.28 0.49 -0.00 0.00 -0.04 0.00 0.00 63.50 64.23 1yup n PRO 113 Cb 0.44 -1.67 -0.04 0.00 -0.04 0.00 0.00 33.50 32.19 1yup n PRO 113 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1yup n GLU 114 N -1.80 1.83 0.00 0.54 2.13 -1.26 -3.67 120.64 118.42 1yup n GLU 114 Ca 0.00 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1yup n GLU 114 Cb 0.06 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 30.63 1yup n GLU 114 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1yup n GLN 115 N -1.99 0.92 0.00 5.31 6.02 -0.96 -4.10 117.38 122.59 1yup n GLN 115 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1yup n GLN 115 Cb 0.45 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.26 1yup n GLN 115 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1yup n SER 116 N 0.05 0.00 -4.67 1.08 2.88 -1.19 -4.91 113.62 106.86 1yup n SER 116 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1yup n SER 116 Cb 0.23 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.67 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 0.00 4.19 -0.00 2.46 2.96 -1.24 -4.36 118.68 122.69 1yup s LEU 117 Ca 0.00 1.61 0.06 0.00 -0.22 0.00 0.00 54.13 55.58 1yup s LEU 117 Cb 0.00 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 1yup s LEU 117 CO 0.00 -0.65 -0.18 0.00 -1.32 0.00 0.00 176.35 174.20 1yup s ALA 118 N 2.88 1.51 0.01 5.97 0.00 -0.55 -1.02 121.76 130.57 1yup s ALA 118 Ca 0.51 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.68 1yup s ALA 118 Cb -0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 1yup s ALA 118 CO 0.14 0.36 -0.11 0.00 0.00 0.00 0.00 175.76 176.15 1yup s GLN 120 N -0.68 1.44 -0.38 0.00 -0.21 -0.39 -0.73 119.66 118.70 1yup s GLN 120 Ca 0.02 -1.46 -0.09 0.00 0.02 0.00 0.00 55.36 53.84 1yup s GLN 120 Cb -0.06 -1.73 0.04 0.00 1.00 0.00 0.00 33.01 32.26 1yup s GLN 120 CO 0.00 0.38 0.19 0.00 -2.12 0.00 0.00 175.29 173.75 1yup s LEU 122 N 1.49 4.48 0.18 0.00 1.43 0.45 -0.39 118.68 126.31 1yup s LEU 122 Ca 0.01 1.07 0.10 0.00 -1.03 0.00 0.00 54.13 54.28 1yup s LEU 122 Cb -0.20 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 1yup s LEU 122 CO 0.05 0.27 -0.22 0.68 0.23 0.00 0.00 176.35 177.36 1yup s VAL 123 N -0.91 2.13 0.19 -1.59 -7.23 0.55 -1.76 120.40 111.78 1yup s VAL 123 Ca 0.26 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.48 1yup s VAL 123 Cb -0.18 -2.00 -0.11 0.00 0.56 0.00 0.00 36.38 34.66 1yup s VAL 123 CO 0.15 -0.18 1.44 0.03 -0.31 0.00 0.00 175.10 176.23 1yup h ARG 124 N 3.26 0.28 -6.46 4.82 2.47 -1.71 0.23 114.38 117.27 1yup h ARG 124 Ca -0.45 -0.24 -0.63 0.00 -1.26 0.00 0.00 59.98 57.40 1yup h ARG 124 Cb 1.21 0.06 -0.18 0.00 -1.65 0.00 0.00 29.97 29.41 1yup h ARG 124 CO 0.49 0.91 -0.81 0.95 0.56 0.00 0.00 179.97 182.07 1yup s THR 125 N -3.49 2.32 -0.52 2.04 -4.23 -1.26 -4.59 115.64 105.90 1yup s THR 125 Ca -0.04 -2.09 -0.06 0.00 -1.18 0.00 0.00 61.69 58.32 1yup s THR 125 Cb 0.11 -2.13 -0.13 0.00 1.34 0.00 0.00 72.50 71.69 1yup s THR 125 CO 0.82 -0.19 2.56 -0.81 -0.54 0.00 0.00 174.62 176.46 1yup n PRO 126 N 0.10 1.96 -4.04 3.99 -0.04 -1.26 -4.79 135.00 130.91 1yup n PRO 126 Ca -0.11 -1.16 -0.16 0.00 -0.04 0.00 0.00 63.50 62.03 1yup n PRO 126 Cb 0.57 -2.18 -0.15 0.00 -0.04 0.00 0.00 33.50 31.70 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 2.24 0.40 -0.13 0.54 2.02 -1.26 -4.60 118.70 117.90 1yup s GLU 127 Ca 0.48 -0.06 -0.29 0.00 0.02 0.00 0.00 54.97 55.13 1yup s GLU 127 Cb 0.18 -0.46 -0.06 0.00 0.10 0.00 0.00 34.13 33.89 1yup s GLU 127 CO -0.02 -0.02 2.05 0.54 0.02 0.00 0.00 175.26 177.83 1yup s VAL 128 N 0.47 3.10 -0.13 2.63 0.11 -1.26 -4.97 120.40 120.35 1yup s VAL 128 Ca -0.05 0.11 -0.07 0.00 -2.93 0.00 0.00 61.98 59.05 1yup s VAL 128 Cb -0.08 -3.11 -0.04 0.00 -1.53 0.00 0.00 36.38 31.62 1yup s VAL 128 CO -0.01 -0.05 0.11 -0.62 -3.33 0.00 0.00 175.10 171.21 1yup s ASP 129 N 6.42 6.12 -0.17 3.54 2.15 -1.26 -5.02 116.67 128.46 1yup s ASP 129 Ca 0.92 0.36 0.11 0.00 0.43 0.00 0.00 52.55 54.37 1yup s ASP 129 Cb -0.35 -1.97 -0.23 0.00 -0.30 0.00 0.00 42.92 40.07 1yup s ASP 129 CO 0.37 0.36 0.19 0.47 -0.17 0.00 0.00 175.17 176.38 1yup n ASP 130 N 2.29 0.84 -0.06 -0.34 8.00 -1.26 -2.23 116.55 123.78 1yup n ASP 130 Ca -0.19 0.10 -0.01 0.00 0.71 0.00 0.00 54.79 55.39 1yup n ASP 130 Cb 0.54 0.26 0.25 0.00 -0.02 0.00 0.00 41.12 42.15 1yup n ASP 130 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1yup h GLU 131 N 0.01 0.68 -0.25 -1.24 4.81 -1.99 -2.03 114.58 114.56 1yup h GLU 131 Ca -0.48 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 58.59 1yup h GLU 131 Cb 2.10 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 31.37 1yup h GLU 131 CO 0.02 0.63 0.05 0.00 -0.73 0.00 0.00 179.01 178.98 1yup h ALA 132 N 1.44 0.34 0.00 2.92 0.00 -1.97 -2.86 119.26 119.13 1yup h ALA 132 Ca 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1yup h ALA 132 Cb 0.28 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1yup h ALA 132 CO 0.00 0.01 -0.08 0.52 0.00 0.00 0.00 179.25 179.70 1yup h MET 133 N 0.23 0.00 0.00 0.00 2.86 -0.98 -1.53 114.93 115.52 1yup h MET 133 Ca 0.08 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 1yup h MET 133 Cb 0.32 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1yup h MET 133 CO 0.00 0.08 -1.80 -1.91 1.06 0.00 0.00 176.91 174.35 1yup n GLU 134 N -3.35 0.91 0.13 1.72 2.13 -0.81 -1.90 120.64 119.47 1yup n GLU 134 Ca -0.01 -0.09 0.02 0.00 0.66 0.00 0.00 57.16 57.74 1yup n GLU 134 Cb 0.26 -1.36 0.38 0.00 0.27 0.00 0.00 31.44 30.98 1yup n GLU 134 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1yup h LYS 135 N 0.00 0.19 -0.07 5.31 1.57 -1.48 -2.12 116.57 119.96 1yup h LYS 135 Ca -0.14 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.43 1yup h LYS 135 Cb 1.13 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.42 1yup h LYS 135 CO 0.01 0.39 -0.58 0.35 -0.57 0.00 0.00 179.45 179.04 1yup h PHE 136 N 0.17 0.72 -0.86 -1.35 3.57 -1.34 -2.91 116.94 114.94 1yup h PHE 136 Ca 0.03 -0.34 0.03 0.00 3.53 0.00 0.00 57.97 61.22 1yup h PHE 136 Cb 0.46 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.04 1yup h PHE 136 CO 0.01 1.14 0.55 -0.44 -2.23 0.00 0.00 178.31 177.33 1yup h ASP 137 N 0.09 0.92 -0.84 0.41 5.19 -1.36 -1.75 116.42 119.09 1yup h ASP 137 Ca -0.05 -0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.37 1yup h ASP 137 Cb 1.24 -0.21 -0.04 0.00 0.18 0.00 0.00 39.33 40.50 1yup h ASP 137 CO 0.12 0.63 0.55 0.50 -3.12 0.00 0.00 179.24 177.92 1yup h LYS 138 N 1.07 1.08 -0.31 3.56 3.64 -1.41 -1.64 116.57 122.56 1yup h LYS 138 Ca 0.34 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.52 1yup h LYS 138 Cb 0.00 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1yup h LYS 138 CO -0.12 0.71 -0.35 0.00 -2.27 0.00 0.00 179.45 177.43 1yup h ALA 139 N 1.32 0.47 0.00 5.00 0.00 -1.29 -3.16 119.26 121.59 1yup h ALA 139 Ca 0.32 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1yup h ALA 139 Cb -0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1yup h ALA 139 CO -0.08 0.53 -0.12 -0.07 0.00 0.00 0.00 179.25 179.52 1yup h LEU 140 N 0.56 0.00 -0.88 0.00 4.07 -0.87 -3.03 115.31 115.16 1yup h LEU 140 Ca 0.05 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.97 1yup h LEU 140 Cb 0.93 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.67 1yup h LEU 140 CO 0.08 0.12 -0.18 0.11 -1.08 0.00 0.00 178.44 177.49 1yup h LYS 141 N 0.00 0.00 0.00 1.13 6.56 -1.28 -2.38 116.57 120.60 1yup h LYS 141 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1yup h LYS 141 Cb 0.23 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.89 1yup h LYS 141 CO 0.02 0.18 -0.91 0.00 -2.06 0.00 0.00 179.45 176.68 1yup n ALA 142 N -2.18 3.02 -2.84 3.86 0.00 -1.15 -4.95 120.51 116.27 1yup n ALA 142 Ca 0.01 -0.31 -0.29 0.00 0.00 0.00 0.00 53.44 52.85 1yup n ALA 142 Cb 0.46 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 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 -4.36 4.30 -1.53 0.00 1.43 -0.90 -5.01 118.68 112.61 1yup s LEU 143 Ca 0.03 0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 53.36 1yup s LEU 143 Cb 0.13 -3.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.26 1yup s LEU 143 CO 0.77 0.06 2.58 -0.81 0.23 0.00 0.00 176.35 179.18 1yup n PRO 144 N -0.21 3.34 -3.29 1.29 -0.04 -1.26 -4.94 135.00 129.88 1yup n PRO 144 Ca -0.05 -2.46 -0.39 0.00 -0.04 0.00 0.00 63.50 60.57 1yup n PRO 144 Cb 0.53 -3.03 -0.06 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 2.50 4.18 0.00 0.54 -1.94 -1.26 -4.16 119.30 119.16 1yup s MET 145 Ca 0.58 0.72 0.00 0.00 -1.71 0.00 0.00 55.69 55.28 1yup s MET 145 Cb 0.16 -3.24 0.00 0.00 2.01 0.00 0.00 34.83 33.76 1yup s MET 145 CO -0.07 0.64 0.50 0.72 -0.01 0.00 0.00 175.02 176.80 1yup n HIS 146 N 1.73 0.00 -3.83 -0.03 8.25 -0.46 -4.92 115.22 115.96 1yup n HIS 146 Ca -0.11 -0.08 -0.12 0.00 -0.26 0.00 0.00 57.72 57.15 1yup n HIS 146 Cb 0.51 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.49 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 0.02 0.00 1.59 2.07 -0.99 -4.76 121.20 118.98 1yup s ILE 147 Ca 0.00 -0.18 0.01 0.00 -1.41 0.00 0.00 60.65 59.07 1yup s ILE 147 Cb 0.00 -0.30 -0.01 0.00 0.13 0.00 0.00 42.46 42.29 1yup s ILE 147 CO 0.00 -0.10 -0.05 -0.13 -1.91 0.00 0.00 174.94 172.75 1yup s ARG 148 N -0.30 0.37 0.05 3.50 0.52 -1.26 -1.99 118.95 119.84 1yup s ARG 148 Ca -0.04 -0.26 0.05 0.00 -0.52 0.00 0.00 55.73 54.95 1yup s ARG 148 Cb -0.03 -0.31 -0.02 0.00 0.52 0.00 0.00 34.95 35.11 1yup s ARG 148 CO 0.01 0.08 -0.13 -0.51 0.02 0.00 0.00 175.30 174.76 1yup s LEU 149 N -0.38 2.21 0.06 2.53 1.43 0.19 -4.97 118.68 119.74 1yup s LEU 149 Ca -0.01 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 1yup s LEU 149 Cb -0.03 -0.52 -0.03 0.00 0.03 0.00 0.00 46.19 45.64 1yup s LEU 149 CO -0.00 -0.02 -0.09 -0.94 0.23 0.00 0.00 176.35 175.52 1yup s SER 150 N -1.36 1.09 0.07 2.29 1.04 -1.26 -0.28 113.70 115.29 1yup s SER 150 Ca -0.01 -0.63 0.09 0.00 0.48 0.00 0.00 55.95 55.89 1yup s SER 150 Cb -0.09 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 1yup s SER 150 CO 0.01 -0.21 -0.26 -0.36 0.98 0.00 0.00 173.24 173.41 1yup s PHE 151 N -1.67 2.35 1.22 5.02 0.08 -0.15 -4.99 117.98 119.83 1yup s PHE 151 Ca -0.05 -0.39 -0.14 0.00 0.12 0.00 0.00 56.93 56.47 1yup s PHE 151 Cb -0.08 -1.36 0.30 0.00 -0.57 0.00 0.00 43.02 41.31 1yup s PHE 151 CO 0.00 0.20 0.94 0.09 -0.10 0.00 0.00 175.22 176.35 1yup n ASN 152 N 1.52 -2.09 -2.48 1.36 5.03 -1.26 -4.78 115.26 112.56 1yup n ASN 152 Ca -0.17 -0.25 -0.22 0.00 0.87 0.00 0.00 54.58 54.81 1yup n ASN 152 Cb 0.52 -1.21 -0.12 0.00 -1.02 0.00 0.00 39.78 37.95 1yup n ASN 152 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1yup n PRO 153 N -4.95 2.63 0.12 3.52 -0.01 -1.26 -2.27 135.00 132.78 1yup n PRO 153 Ca 0.02 -1.46 0.00 0.00 -0.01 0.00 0.00 63.50 62.06 1yup n PRO 153 Cb 0.55 -2.29 0.00 0.00 -0.01 0.00 0.00 33.50 31.75 1yup n PRO 153 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 175.50 177.90 1yup n THR 154 N 2.85 0.00 0.28 3.45 -1.04 -1.26 -4.85 114.28 113.71 1yup n THR 154 Ca 0.56 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.68 1yup n THR 154 Cb 0.67 -0.06 0.76 0.00 -1.82 0.00 0.00 70.33 69.88 1yup n THR 154 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1yup h GLN 155 N 0.00 0.00 0.00 -2.82 4.20 -1.92 -2.24 115.11 112.33 1yup h GLN 155 Ca 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 1yup h GLN 155 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1yup h GLN 155 CO 0.00 0.00 -0.61 -0.07 -0.67 0.00 0.00 178.83 177.48 1yup h LEU 156 N 0.00 0.00 -0.65 1.46 3.38 -1.76 1.24 115.31 118.98 1yup h LEU 156 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1yup h LEU 156 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1yup h LEU 156 CO 0.00 0.61 -0.67 -0.33 0.09 0.00 0.00 178.44 178.14 1yup h GLU 157 N 0.00 0.02 0.00 1.13 5.08 -1.69 -3.26 114.58 115.86 1yup h GLU 157 Ca -0.01 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 1yup h GLU 157 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1yup h GLU 157 CO 0.08 0.68 -1.67 -1.91 -1.00 0.00 0.00 179.01 175.19 1yup n GLU 158 N -3.75 0.64 0.00 2.33 2.13 -1.04 -5.02 120.64 115.93 1yup n GLU 158 Ca -0.01 0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1yup n GLU 158 Cb 0.66 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.69 1yup n GLU 158 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1yup n GLN 159 N -2.62 0.00 0.00 5.31 1.13 0.43 -5.09 117.38 116.54 1yup n GLN 159 Ca -0.09 0.00 0.16 0.00 -1.94 0.00 0.00 57.00 55.12 1yup n GLN 159 Cb 0.74 0.00 0.93 0.00 0.11 0.00 0.00 30.24 32.03 1yup n GLN 159 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62