#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jyu s PRO 13 N 0.00 0.89 1.07 -0.14 0.04 -1.26 -5.03 135.00 130.57 3jyu s PRO 13 Ca 0.00 -0.01 -0.12 0.00 0.04 0.00 0.00 61.00 60.91 3jyu s PRO 13 Cb 0.00 -1.84 0.23 0.00 0.04 0.00 0.00 34.50 32.93 3jyu s PRO 13 CO 0.00 -2.31 1.06 0.16 0.04 0.00 0.00 177.00 175.95 3jyu s ASP 14 N -4.40 1.86 0.31 6.66 1.47 -1.26 -4.66 116.67 116.66 3jyu s ASP 14 Ca 0.67 1.49 0.02 0.00 1.18 0.00 0.00 52.55 55.91 3jyu s ASP 14 Cb -0.10 -2.20 0.52 0.00 -0.34 0.00 0.00 42.92 40.81 3jyu s ASP 14 CO 0.53 -3.65 1.86 -0.37 0.68 0.00 0.00 175.17 174.21 3jyu h VAL 15 N -2.24 1.21 -0.90 2.11 -1.51 -1.94 -1.54 116.25 111.43 3jyu h VAL 15 Ca -0.57 -0.79 0.02 0.00 -1.23 0.00 0.00 66.70 64.13 3jyu h VAL 15 Cb 1.32 0.83 -0.05 0.00 -2.13 0.00 0.00 31.29 31.27 3jyu h VAL 15 CO 0.52 0.28 0.59 -0.33 -1.23 0.00 0.00 177.57 177.40 3jyu h GLU 16 N 0.62 1.15 -0.09 5.19 3.07 -1.91 0.14 114.58 122.75 3jyu h GLU 16 Ca 0.14 -0.07 -0.19 0.00 -0.50 0.00 0.00 59.36 58.73 3jyu h GLU 16 Cb 0.31 -0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3jyu h GLU 16 CO 0.01 0.76 -0.75 1.15 -1.40 0.00 0.00 179.01 178.78 3jyu h THR 17 N 1.18 1.36 -0.34 1.13 2.02 -1.71 -1.88 112.91 114.67 3jyu h THR 17 Ca 0.34 -2.13 -0.08 0.00 0.77 0.00 0.00 66.41 65.31 3jyu h THR 17 Cb -0.08 2.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 3jyu h THR 17 CO -0.09 0.65 -0.14 1.56 0.37 0.00 0.00 175.52 177.86 3jyu h GLN 18 N 0.32 0.60 -0.34 6.66 4.20 -0.87 -0.81 115.11 124.87 3jyu h GLN 18 Ca -0.04 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.43 3jyu h GLN 18 Cb 1.34 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.05 3jyu h GLN 18 CO 0.13 0.73 0.00 -0.22 -0.67 0.00 0.00 178.83 178.80 3jyu h LYS 19 N 0.55 0.61 0.02 1.46 3.64 -0.76 -2.69 116.57 119.38 3jyu h LYS 19 Ca 0.09 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3jyu h LYS 19 Cb 0.56 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3jyu h LYS 19 CO 0.04 0.73 -0.01 1.15 -2.27 0.00 0.00 179.45 179.08 3jyu h THR 20 N 0.41 1.14 -0.58 1.00 2.02 -1.20 0.12 112.91 115.83 3jyu h THR 20 Ca 0.10 -0.47 -0.07 0.00 0.77 0.00 0.00 66.41 66.74 3jyu h THR 20 Cb 0.45 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 3jyu h THR 20 CO 0.02 0.12 0.09 -0.33 0.37 0.00 0.00 175.52 175.79 3jyu h GLU 21 N -0.22 0.96 0.00 6.66 5.08 -1.20 -1.03 114.58 124.83 3jyu h GLU 21 Ca -0.00 -0.26 -0.16 0.00 -1.00 0.00 0.00 59.36 57.94 3jyu h GLU 21 Cb 0.21 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3jyu h GLU 21 CO 0.00 0.92 -0.76 -0.07 -1.00 0.00 0.00 179.01 178.10 3jyu h LEU 22 N 0.86 0.00 -1.26 1.33 4.07 -1.54 -3.11 115.31 115.66 3jyu h LEU 22 Ca 0.17 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.09 3jyu h LEU 22 Cb 0.43 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 3jyu h LEU 22 CO 0.01 0.76 0.04 1.23 -1.08 0.00 0.00 178.44 179.40 3jyu h GLY 23 N 2.29 0.59 2.00 0.83 0.00 -0.37 -1.80 103.07 106.61 3jyu h GLY 23 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3jyu h GLY 23 CO 0.10 0.31 0.00 0.00 0.00 0.00 0.00 176.54 176.95 3jyu h ALA 24 N 1.52 1.00 -2.45 3.60 0.00 -1.12 -3.42 119.26 118.39 3jyu h ALA 24 Ca 0.12 0.00 -0.79 0.00 0.00 0.00 0.00 54.91 54.24 3jyu h ALA 24 Cb 0.28 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.81 3jyu h ALA 24 CO 0.00 0.00 0.55 -0.51 0.00 0.00 0.00 179.25 179.30 3jyu s LEU 25 N -5.32 6.17 0.00 0.00 1.43 -0.68 -4.90 118.68 115.39 3jyu s LEU 25 Ca -0.02 -3.36 0.00 0.00 -1.03 0.00 0.00 54.13 49.72 3jyu s LEU 25 Cb 0.09 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 44.07 3jyu s LEU 25 CO 0.35 -0.41 0.00 0.61 0.23 0.00 0.00 176.35 177.13 3jyu n GLY 27 N 3.13 0.00 3.74 -3.19 0.00 -1.26 -4.96 105.19 102.64 3jyu n GLY 27 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 3jyu n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jyu s THR 28 N 0.00 2.57 0.38 2.61 2.01 -1.26 -5.00 115.64 116.94 3jyu s THR 28 Ca 0.00 0.45 0.02 0.00 0.31 0.00 0.00 61.69 62.47 3jyu s THR 28 Cb 0.00 -3.29 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 3jyu s THR 28 CO 0.00 0.06 0.57 0.42 -0.69 0.00 0.00 174.62 174.98 3jyu s THR 29 N 0.42 4.49 -0.07 -0.82 -4.23 -1.26 -5.06 115.64 109.11 3jyu s THR 29 Ca 0.64 -0.61 -0.28 0.00 -1.18 0.00 0.00 61.69 60.26 3jyu s THR 29 Cb -0.43 -3.63 -0.02 0.00 1.34 0.00 0.00 72.50 69.75 3jyu s THR 29 CO 0.39 -0.38 0.90 -0.76 -0.54 0.00 0.00 174.62 174.23 3jyu s LEU 30 N -4.36 4.30 -0.02 4.79 1.43 -1.26 -5.05 118.68 118.51 3jyu s LEU 30 Ca 0.44 1.44 0.05 0.00 -1.03 0.00 0.00 54.13 55.03 3jyu s LEU 30 Cb -0.10 -3.40 -0.01 0.00 0.03 0.00 0.00 46.19 42.71 3jyu s LEU 30 CO 0.35 -0.29 -0.18 -1.10 0.23 0.00 0.00 176.35 175.36 3jyu s GLN 31 N 1.38 1.51 0.14 1.70 -1.52 -1.26 -4.94 119.66 116.67 3jyu s GLN 31 Ca 0.46 -0.64 -0.34 0.00 -1.95 0.00 0.00 55.36 52.88 3jyu s GLN 31 Cb -0.19 -1.43 -0.16 0.00 -0.22 0.00 0.00 33.01 31.01 3jyu s GLN 31 CO 0.21 0.37 1.22 -2.13 -0.25 0.00 0.00 175.29 174.71 3jyu n ARG 32 N 2.71 1.14 0.00 2.91 0.63 -1.26 -1.61 116.66 121.17 3jyu n ARG 32 Ca -0.15 0.41 0.00 0.00 -0.92 0.00 0.00 57.85 57.18 3jyu n ARG 32 Cb 0.54 -1.95 0.00 0.00 0.45 0.00 0.00 32.46 31.49 3jyu n ARG 32 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jyu n GLY 33 N 2.19 2.51 3.78 5.14 0.00 0.15 -4.95 105.19 114.00 3jyu n GLY 33 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3jyu n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyu s ALA 34 N -2.24 2.71 -0.19 4.61 0.00 -0.64 -4.64 121.76 121.37 3jyu s ALA 34 Ca 0.00 0.80 -0.09 0.00 0.00 0.00 0.00 51.96 52.67 3jyu s ALA 34 Cb 0.00 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 3jyu s ALA 34 CO 0.00 -0.74 0.11 -0.65 0.00 0.00 0.00 175.76 174.48 3jyu s GLN 35 N -3.30 4.04 0.15 0.00 -0.21 -1.26 -0.85 119.66 118.23 3jyu s GLN 35 Ca 0.72 -0.25 0.08 0.00 0.02 0.00 0.00 55.36 55.93 3jyu s GLN 35 Cb -0.23 -3.33 -0.04 0.00 1.00 0.00 0.00 33.01 30.41 3jyu s GLN 35 CO 0.27 0.34 -0.17 -1.58 -2.12 0.00 0.00 175.29 172.03 3jyu s TRP 36 N 0.22 1.67 0.07 0.91 0.52 -0.15 -3.17 118.94 119.01 3jyu s TRP 36 Ca 0.07 -0.50 0.09 0.00 0.02 0.00 0.00 56.10 55.79 3jyu s TRP 36 Cb -0.11 -0.85 -0.03 0.00 -1.15 0.00 0.00 33.47 31.32 3jyu s TRP 36 CO -0.01 0.26 -0.24 0.71 0.02 0.00 0.00 176.95 177.69 3jyu s TYR 37 N -2.03 2.39 -0.09 -1.98 2.02 -0.22 -1.25 117.35 116.18 3jyu s TYR 37 Ca 0.13 -0.36 -0.13 0.00 -0.37 0.00 0.00 57.07 56.34 3jyu s TYR 37 Cb -0.06 -1.38 -0.05 0.00 -0.40 0.00 0.00 41.96 40.08 3jyu s TYR 37 CO 0.05 0.22 0.32 -0.51 -1.57 0.00 0.00 175.55 174.05 3jyu s LEU 38 N -1.51 4.35 -0.07 -1.29 1.02 -0.22 -1.21 118.68 119.75 3jyu s LEU 38 Ca 0.13 0.68 0.02 0.00 0.02 0.00 0.00 54.13 54.98 3jyu s LEU 38 Cb -0.10 -2.41 0.01 0.00 0.02 0.00 0.00 46.19 43.71 3jyu s LEU 38 CO 0.04 0.23 -0.11 -0.63 0.02 0.00 0.00 176.35 175.90 3jyu s ILE 39 N -0.34 1.08 0.23 -0.59 1.01 -0.62 -4.58 121.20 117.40 3jyu s ILE 39 Ca 0.19 -0.44 -0.31 0.00 0.00 0.00 0.00 60.65 60.09 3jyu s ILE 39 Cb -0.14 -1.00 -0.14 0.00 0.01 0.00 0.00 42.46 41.18 3jyu s ILE 39 CO 0.08 0.35 1.23 -0.67 0.00 0.00 0.00 174.94 175.92 3jyu n ASP 40 N 3.90 1.91 0.21 3.58 -0.08 -1.26 -0.75 116.55 124.06 3jyu n ASP 40 Ca -0.22 1.15 0.13 0.00 -1.51 0.00 0.00 54.79 54.34 3jyu n ASP 40 Cb 0.52 -1.32 0.33 0.00 2.34 0.00 0.00 41.12 42.99 3jyu n ASP 40 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3jyu h SER 41 N 3.37 0.00 0.23 1.67 4.64 -1.74 -2.00 113.55 119.73 3jyu h SER 41 Ca -0.43 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3jyu h SER 41 Cb 1.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 3jyu h SER 41 CO 0.70 0.00 -0.18 -0.09 -0.87 0.00 0.00 176.83 176.39 3jyu h ARG 42 N 0.00 -0.40 -0.37 4.77 2.43 -1.89 0.11 114.38 119.04 3jyu h ARG 42 Ca 0.00 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3jyu h ARG 42 Cb 0.82 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 3jyu h ARG 42 CO 0.00 -0.27 0.17 2.35 -1.51 0.00 0.00 179.97 180.71 3jyu h TRP 43 N -0.42 0.54 -0.44 2.20 7.01 -1.76 -2.77 115.95 120.31 3jyu h TRP 43 Ca -0.01 -0.03 -0.13 0.00 2.11 0.00 0.00 58.89 60.83 3jyu h TRP 43 Cb 0.37 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.25 3jyu h TRP 43 CO -0.12 0.46 -0.22 0.35 -2.79 0.00 0.00 178.44 176.12 3jyu h PHE 44 N 0.46 1.08 -0.87 2.65 3.57 -1.29 -1.13 116.94 121.41 3jyu h PHE 44 Ca 0.13 -0.27 -0.03 0.00 3.53 0.00 0.00 57.97 61.33 3jyu h PHE 44 Cb 0.13 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 3jyu h PHE 44 CO -0.01 1.08 0.43 0.87 -2.23 0.00 0.00 178.31 178.45 3jyu h LYS 45 N 0.77 1.24 -0.40 1.11 1.57 -0.81 -1.55 116.57 118.51 3jyu h LYS 45 Ca 0.10 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3jyu h LYS 45 Cb 0.80 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 3jyu h LYS 45 CO 0.07 0.94 0.12 0.37 -0.57 0.00 0.00 179.45 180.38 3jyu h GLN 46 N 1.23 0.62 -0.57 3.15 4.15 -1.25 -2.09 115.11 120.35 3jyu h GLN 46 Ca 0.30 -0.13 0.10 0.00 0.77 0.00 0.00 58.65 59.69 3jyu h GLN 46 Cb 0.09 -0.09 -0.08 0.00 0.21 0.00 0.00 27.48 27.62 3jyu h GLN 46 CO -0.04 0.62 0.13 2.35 -1.93 0.00 0.00 178.83 179.96 3jyu h TRP 47 N 0.50 0.20 -0.89 3.99 7.01 -0.88 0.00 115.95 125.88 3jyu h TRP 47 Ca 0.13 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.19 3jyu h TRP 47 Cb 0.26 -0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 27.27 3jyu h TRP 47 CO 0.01 -0.01 0.58 0.87 -2.79 0.00 0.00 178.44 177.10 3jyu h LYS 48 N 0.26 1.11 -0.15 2.65 1.57 -0.97 -0.83 116.57 120.21 3jyu h LYS 48 Ca 0.29 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.91 3jyu h LYS 48 Cb 0.41 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3jyu h LYS 48 CO -0.37 0.74 -0.32 0.87 -0.57 0.00 0.00 179.45 179.80 3jyu h LYS 49 N 1.15 0.30 -0.34 3.15 1.57 -0.70 0.15 116.57 121.85 3jyu h LYS 49 Ca 0.35 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.87 3jyu h LYS 49 Cb -0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3jyu h LYS 49 CO -0.10 0.59 -0.32 -0.92 -0.57 0.00 0.00 179.45 178.13 3jyu h TYR 50 N 0.26 0.97 -0.01 -1.35 3.20 0.29 -0.78 116.97 119.55 3jyu h TYR 50 Ca 0.03 -0.29 0.00 0.00 3.14 0.00 0.00 58.73 61.62 3jyu h TYR 50 Cb 0.70 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.76 3jyu h TYR 50 CO 0.01 1.07 -0.22 1.33 -1.64 0.00 0.00 178.16 178.72 3jyu n VAL 51 N -4.18 0.00 -3.23 1.81 0.24 -0.47 -2.81 118.33 109.70 3jyu n VAL 51 Ca -0.03 -0.22 -0.16 0.00 -2.04 0.00 0.00 64.34 61.89 3jyu n VAL 51 Cb 0.50 0.70 0.06 0.00 -1.47 0.00 0.00 33.84 33.63 3jyu n VAL 51 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3jyu n GLY 52 N 1.32 -0.17 0.31 7.63 0.00 -0.16 -4.13 105.19 109.99 3jyu n GLY 52 Ca 0.13 -0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 3jyu n GLY 52 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3jyu h PHE 53 N -1.80 0.90 -1.40 1.61 3.57 -1.09 -3.10 116.94 115.63 3jyu h PHE 53 Ca -0.43 -0.07 -0.64 0.00 3.53 0.00 0.00 57.97 60.35 3jyu h PHE 53 Cb 1.27 -0.27 -0.19 0.00 2.79 0.00 0.00 35.95 39.55 3jyu h PHE 53 CO 0.36 0.73 1.03 -0.25 -2.23 0.00 0.00 178.31 177.95 3jyu n ASP 54 N -4.29 7.12 -3.16 0.41 10.43 -1.26 -4.76 116.55 121.05 3jyu n ASP 54 Ca 0.05 -3.37 0.05 0.00 2.57 0.00 0.00 54.79 54.08 3jyu n ASP 54 Cb 0.21 -1.22 -0.03 0.00 1.84 0.00 0.00 41.12 41.92 3jyu n ASP 54 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3jyu s SER 55 N -0.11 -0.07 -0.88 -2.24 0.15 -1.17 -5.09 113.70 104.29 3jyu s SER 55 Ca 0.54 0.06 -0.00 0.00 0.70 0.00 0.00 55.95 57.25 3jyu s SER 55 Cb 0.33 1.06 0.25 0.00 -1.71 0.00 0.00 66.02 65.95 3jyu s SER 55 CO -0.23 -0.01 0.94 0.79 1.20 0.00 0.00 173.24 175.93 3jyu n TRP 56 N 5.19 3.65 0.00 3.44 7.02 -1.26 -4.78 117.44 130.70 3jyu n TRP 56 Ca -0.08 -3.79 0.00 0.00 -1.02 0.00 0.00 57.50 52.61 3jyu n TRP 56 Cb 0.55 -1.03 0.00 0.00 -2.42 0.00 0.00 31.31 28.42 3jyu n TRP 56 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3jyu n ASP 57 N 1.72 0.00 0.00 -0.99 8.00 -1.26 -5.14 116.55 118.87 3jyu n ASP 57 Ca 0.25 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.75 3jyu n ASP 57 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 3jyu n ASP 57 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3jyu n TYR 59 N 0.00 0.00 -1.69 1.24 4.01 -1.26 -4.95 117.16 114.51 3jyu n TYR 59 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 3jyu n TYR 59 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3jyu n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3jyu n ASN 60 N 0.00 2.60 -0.45 7.72 2.85 -1.26 -4.92 115.26 121.80 3jyu n ASN 60 Ca 0.00 1.16 0.06 0.00 -0.11 0.00 0.00 54.58 55.69 3jyu n ASN 60 Cb 0.00 -1.48 0.04 0.00 1.24 0.00 0.00 39.78 39.58 3jyu n ASN 60 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 3jyu n VAL 61 N 0.08 0.00 -1.51 3.44 0.31 -1.26 -5.03 118.33 114.36 3jyu n VAL 61 Ca 0.06 -0.48 -0.39 0.00 -0.01 0.00 0.00 64.34 63.52 3jyu n VAL 61 Cb 0.38 1.23 0.04 0.00 -0.91 0.00 0.00 33.84 34.58 3jyu n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3jyu n GLY 62 N 0.75 -1.12 3.33 2.92 0.00 -1.26 -4.65 105.19 105.16 3jyu n GLY 62 Ca 0.07 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 3jyu n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jyu s GLU 63 N -2.19 2.98 0.32 1.61 8.01 -0.31 -4.84 118.70 124.29 3jyu s GLU 63 Ca 0.69 -0.94 0.00 0.00 0.01 0.00 0.00 54.97 54.74 3jyu s GLU 63 Cb -0.46 -3.42 0.54 0.00 -4.31 0.00 0.00 34.13 26.48 3jyu s GLU 63 CO 0.53 -0.51 1.98 1.25 0.01 0.00 0.00 175.26 178.52 3jyu h HIS 64 N 8.25 0.93 0.00 1.61 2.76 -1.90 0.95 115.15 127.76 3jyu h HIS 64 Ca -0.29 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.90 3jyu h HIS 64 Cb 1.12 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.76 3jyu h HIS 64 CO 0.61 0.57 0.00 0.27 -1.30 0.00 0.00 177.93 178.08 3jyu n ASN 65 N -4.43 0.00 -1.23 3.26 0.23 -1.26 -2.67 115.26 109.15 3jyu n ASN 65 Ca 0.09 -0.97 0.11 0.00 -0.53 0.00 0.00 54.58 53.28 3jyu n ASN 65 Cb 0.06 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.06 3jyu n ASN 65 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3jyu n LEU 66 N -0.88 3.79 -3.89 -4.53 4.77 0.33 -4.96 117.00 111.62 3jyu n LEU 66 Ca 0.14 -2.00 -0.56 0.00 -0.03 0.00 0.00 56.01 53.57 3jyu n LEU 66 Cb 0.07 -0.45 -0.09 0.00 -2.33 0.00 0.00 43.42 40.62 3jyu n LEU 66 CO 0.11 0.95 1.02 0.33 -1.33 0.00 0.00 177.39 178.46 3jyu n PHE 67 N 1.46 1.40 0.35 -1.77 7.35 -1.09 -4.59 117.46 120.56 3jyu n PHE 67 Ca 0.22 0.91 0.12 0.00 -0.76 0.00 0.00 57.45 57.95 3jyu n PHE 67 Cb 0.59 -1.86 0.20 0.00 0.35 0.00 0.00 39.48 38.76 3jyu n PHE 67 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 3jyu h PRO 68 N 4.59 0.00 0.00 -7.13 0.13 -1.93 -3.50 132.00 124.16 3jyu h PRO 68 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3jyu h PRO 68 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3jyu h PRO 68 CO 0.83 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.01 3jyu n GLY 69 N 1.20 -1.37 3.61 1.56 0.00 -1.26 -4.87 105.19 104.06 3jyu n GLY 69 Ca 0.04 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 3jyu n GLY 69 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3jyu n PRO 70 N -0.62 1.37 -1.70 1.61 -0.02 -1.24 -4.88 135.00 129.51 3jyu n PRO 70 Ca 0.00 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 3jyu n PRO 70 Cb 0.00 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 3jyu n PRO 70 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3jyu n ILE 71 N -0.45 0.19 -3.85 4.25 5.41 -0.37 -4.63 119.36 119.91 3jyu n ILE 71 Ca 0.09 -0.03 -0.29 0.00 1.00 0.00 0.00 62.75 63.51 3jyu n ILE 71 Cb 0.39 -2.06 -0.16 0.00 -0.71 0.00 0.00 39.64 37.10 3jyu n ILE 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3jyu s ASP 72 N 2.00 3.60 -0.06 4.38 -1.08 -1.26 -1.29 116.67 122.96 3jyu s ASP 72 Ca 0.79 -1.16 0.16 0.00 -0.52 0.00 0.00 52.55 51.81 3jyu s ASP 72 Cb -0.49 -0.96 0.53 0.00 -1.46 0.00 0.00 42.92 40.54 3jyu s ASP 72 CO 0.35 -0.29 1.45 0.59 0.52 0.00 0.00 175.17 177.79 3jyu n ASN 73 N 4.80 3.83 0.27 -0.34 3.02 -1.26 -4.58 115.26 121.00 3jyu n ASN 73 Ca -0.09 -2.28 0.12 0.00 -0.03 0.00 0.00 54.58 52.30 3jyu n ASN 73 Cb 0.45 -0.43 0.77 0.00 -0.61 0.00 0.00 39.78 39.95 3jyu n ASN 73 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3jyu h SER 74 N 3.05 0.00 0.15 6.41 4.64 -1.96 0.23 113.55 126.07 3jyu h SER 74 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3jyu h SER 74 Cb 1.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3jyu h SER 74 CO 0.10 0.06 -0.05 1.23 -0.87 0.00 0.00 176.83 177.31 3jyu h GLY 75 N 0.34 0.00 0.97 -0.77 0.00 -2.01 -2.34 103.07 99.26 3jyu h GLY 75 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3jyu h GLY 75 CO 0.01 0.00 -0.14 1.04 0.00 0.00 0.00 176.54 177.45 3jyu n LEU 76 N -3.74 0.47 -4.83 3.11 4.77 0.80 -4.90 117.00 112.68 3jyu n LEU 76 Ca -0.02 0.03 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 3jyu n LEU 76 Cb 0.14 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 40.96 3jyu n LEU 76 CO 0.28 0.09 -0.19 -0.36 -1.33 0.00 0.00 177.39 175.89 3jyu s PHE 77 N -2.56 3.52 0.15 -1.77 0.08 -0.88 -0.39 117.98 116.13 3jyu s PHE 77 Ca 0.26 0.45 0.04 0.00 0.12 0.00 0.00 56.93 57.80 3jyu s PHE 77 Cb 0.20 -1.97 -0.06 0.00 -0.57 0.00 0.00 43.02 40.62 3jyu s PHE 77 CO 0.50 0.62 1.35 0.66 -0.10 0.00 0.00 175.22 178.25 3jyu h SER 78 N 5.35 0.17 -4.23 1.36 4.64 -1.15 -3.43 113.55 116.27 3jyu h SER 78 Ca -0.52 -0.15 -0.48 0.00 -0.47 0.00 0.00 61.79 60.18 3jyu h SER 78 Cb 1.21 -0.05 -0.28 0.00 -0.31 0.00 0.00 62.40 62.97 3jyu h SER 78 CO 0.61 1.00 -0.81 -0.62 -0.87 0.00 0.00 176.83 176.14 3jyu s ASP 79 N -6.88 1.68 0.16 4.97 2.15 -1.26 -5.04 116.67 112.45 3jyu s ASP 79 Ca -0.02 -0.29 0.01 0.00 0.43 0.00 0.00 52.55 52.68 3jyu s ASP 79 Cb 0.10 -0.17 -0.03 0.00 -0.30 0.00 0.00 42.92 42.52 3jyu s ASP 79 CO 0.82 0.15 1.36 -0.65 -0.17 0.00 0.00 175.17 176.68 3jyu h PRO 80 N 5.63 0.23 0.12 4.34 0.11 -1.93 -1.98 132.00 138.53 3jyu h PRO 80 Ca -0.35 -0.26 -0.01 0.00 0.11 0.00 0.00 66.00 65.50 3jyu h PRO 80 Cb 1.16 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3jyu h PRO 80 CO 0.48 0.98 -0.06 0.93 -0.21 0.00 0.00 178.00 180.12 3jyu h GLU 81 N 0.13 -0.16 0.00 1.05 3.07 -2.01 -3.35 114.58 113.31 3jyu h GLU 81 Ca -0.05 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3jyu h GLU 81 Cb 1.53 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.47 3jyu h GLU 81 CO 0.14 0.13 -1.31 -1.13 -1.40 0.00 0.00 179.01 175.44 3jyu n SER 82 N -5.03 0.52 -2.65 1.42 3.41 -1.25 -4.97 113.62 105.07 3jyu n SER 82 Ca -0.09 0.01 -0.18 0.00 -0.26 0.00 0.00 58.87 58.35 3jyu n SER 82 Cb 0.20 1.05 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 3jyu n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jyu n GLN 83 N -2.28 -2.69 -1.93 4.33 6.02 -0.74 -4.93 117.38 115.16 3jyu n GLN 83 Ca -0.00 0.78 -0.41 0.00 -0.01 0.00 0.00 57.00 57.36 3jyu n GLN 83 Cb 0.51 -5.47 -0.01 0.00 1.02 0.00 0.00 30.24 26.29 3jyu n GLN 83 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3jyu s THR 84 N -2.90 2.31 0.23 5.09 2.01 -1.26 -4.89 115.64 116.22 3jyu s THR 84 Ca 0.10 0.31 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 3jyu s THR 84 Cb -0.05 -3.20 -0.09 0.00 0.01 0.00 0.00 72.50 69.18 3jyu s THR 84 CO 0.13 0.07 1.20 -0.76 -0.69 0.00 0.00 174.62 174.57 3jyu s LEU 85 N -2.04 4.47 0.61 4.42 1.43 -1.26 -0.68 118.68 125.63 3jyu s LEU 85 Ca 0.52 2.31 -0.18 0.00 -1.03 0.00 0.00 54.13 55.76 3jyu s LEU 85 Cb -0.44 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.12 3jyu s LEU 85 CO 0.59 -0.35 0.83 0.29 0.23 0.00 0.00 176.35 177.93 3jyu n LYS 86 N 1.99 0.72 -2.46 1.70 5.02 0.47 -4.57 118.16 121.03 3jyu n LYS 86 Ca 0.03 0.28 -0.28 0.00 -2.02 0.00 0.00 58.31 56.32 3jyu n LYS 86 Cb 0.44 -2.04 0.01 0.00 -0.02 0.00 0.00 35.03 33.42 3jyu n LYS 86 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3jyu s GLU 87 N -2.65 3.45 -1.28 1.97 2.02 -1.26 -4.39 118.70 116.56 3jyu s GLU 87 Ca 0.74 0.27 0.00 0.00 0.02 0.00 0.00 54.97 56.00 3jyu s GLU 87 Cb -0.41 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.52 3jyu s GLU 87 CO 0.49 -0.36 0.00 0.72 0.02 0.00 0.00 175.26 176.14 3jyu n HIS 88 N -2.41 -0.49 -2.56 1.61 8.25 -1.26 -4.99 115.22 113.37 3jyu n HIS 88 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 3jyu n HIS 88 Cb 0.55 -2.86 -0.04 0.00 1.12 0.00 0.00 29.99 28.76 3jyu n HIS 88 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jyu s LEU 89 N -3.80 4.53 -0.26 2.41 1.43 -1.26 -5.03 118.68 116.70 3jyu s LEU 89 Ca 0.00 2.09 -0.09 0.00 -1.03 0.00 0.00 54.13 55.10 3jyu s LEU 89 Cb 0.00 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 3jyu s LEU 89 CO 0.00 -0.13 0.13 -0.63 0.23 0.00 0.00 176.35 175.95 3jyu s ILE 90 N -0.60 4.85 0.46 -0.59 -1.09 -1.26 -5.00 121.20 117.97 3jyu s ILE 90 Ca 0.47 0.01 -0.22 0.00 -2.23 0.00 0.00 60.65 58.67 3jyu s ILE 90 Cb -0.29 -3.28 -0.10 0.00 -1.58 0.00 0.00 42.46 37.21 3jyu s ILE 90 CO 0.36 0.31 0.86 -0.67 -1.23 0.00 0.00 174.94 174.56 3jyu n ASP 91 N 4.82 0.51 0.00 3.58 2.03 -1.26 -0.29 116.55 125.93 3jyu n ASP 91 Ca -0.15 0.95 0.00 0.00 0.52 0.00 0.00 54.79 56.11 3jyu n ASP 91 Cb 0.52 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 3jyu n ASP 91 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3jyu n GLU 92 N 0.06 0.00 -0.09 -0.67 -0.58 0.06 -4.62 120.64 114.80 3jyu n GLU 92 Ca 0.11 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.72 3jyu n GLU 92 Cb 0.41 -2.01 -0.04 0.00 -0.57 0.00 0.00 31.44 29.23 3jyu n GLU 92 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3jyu n LEU 93 N 0.00 1.84 0.05 -4.62 0.00 -0.72 -4.74 117.00 108.81 3jyu n LEU 93 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 56.01 56.34 3jyu n LEU 93 Cb 0.00 -0.71 -0.06 0.00 0.00 0.00 0.00 43.42 42.65 3jyu n LEU 93 CO 0.00 -0.11 -0.19 0.44 0.00 0.00 0.00 177.39 177.54 3jyu h ASP 94 N -0.91 0.00 -5.06 1.96 3.32 -0.91 -3.44 116.42 111.38 3jyu h ASP 94 Ca -0.16 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 3jyu h ASP 94 Cb 1.07 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.51 3jyu h ASP 94 CO -0.10 0.50 0.05 -0.72 -1.72 0.00 0.00 179.24 177.25 3jyu s TYR 95 N -2.98 -0.25 0.17 4.55 -0.85 -1.24 -2.19 117.35 114.56 3jyu s TYR 95 Ca -0.02 -0.05 0.11 0.00 -0.52 0.00 0.00 57.07 56.58 3jyu s TYR 95 Cb 0.09 0.40 -0.04 0.00 0.38 0.00 0.00 41.96 42.79 3jyu s TYR 95 CO 0.80 -0.84 -0.22 0.54 -1.52 0.00 0.00 175.55 174.31 3jyu s VAL 96 N -3.82 2.51 -0.24 -3.49 0.11 0.07 -0.77 120.40 114.77 3jyu s VAL 96 Ca 0.05 -1.87 -0.08 0.00 -2.93 0.00 0.00 61.98 57.15 3jyu s VAL 96 Cb -0.00 -2.19 -0.04 0.00 -1.53 0.00 0.00 36.38 32.62 3jyu s VAL 96 CO -0.08 -0.06 0.09 -0.76 -3.33 0.00 0.00 175.10 170.96 3jyu s LEU 97 N -2.53 3.63 0.08 2.54 1.43 -1.26 -1.58 118.68 120.98 3jyu s LEU 97 Ca 0.20 -0.10 0.09 0.00 -1.03 0.00 0.00 54.13 53.29 3jyu s LEU 97 Cb -0.09 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 3jyu s LEU 97 CO 0.10 0.02 -0.22 0.68 0.23 0.00 0.00 176.35 177.15 3jyu s VAL 98 N 1.32 2.50 0.84 -1.59 -7.23 -0.35 -4.92 120.40 110.97 3jyu s VAL 98 Ca 0.05 -1.43 -0.11 0.00 -1.81 0.00 0.00 61.98 58.69 3jyu s VAL 98 Cb -0.15 -2.06 0.10 0.00 0.56 0.00 0.00 36.38 34.83 3jyu s VAL 98 CO 0.04 0.25 1.10 -2.16 -0.31 0.00 0.00 175.10 174.02 3jyu s PRO 99 N -1.65 1.67 0.27 4.82 0.04 -1.26 -1.05 135.00 137.84 3jyu s PRO 99 Ca 0.14 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.37 3jyu s PRO 99 Cb -0.10 -1.83 0.60 0.00 0.04 0.00 0.00 34.50 33.21 3jyu s PRO 99 CO 0.05 -2.06 1.72 0.00 0.04 0.00 0.00 177.00 176.76 3jyu h ALA 100 N -1.43 1.29 -0.83 8.56 0.00 -1.92 -1.13 119.26 123.79 3jyu h ALA 100 Ca -0.45 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3jyu h ALA 100 Cb 1.25 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 3jyu h ALA 100 CO 0.50 -0.25 0.46 1.05 0.00 0.00 0.00 179.25 181.01 3jyu h GLU 101 N 0.46 1.15 -0.26 0.00 -0.00 -1.91 -0.92 114.58 113.10 3jyu h GLU 101 Ca 0.50 -0.13 -0.19 0.00 -0.00 0.00 0.00 59.36 59.53 3jyu h GLU 101 Cb 0.84 -0.23 0.00 0.00 -0.00 0.00 0.00 28.75 29.37 3jyu h GLU 101 CO -0.46 0.84 -0.59 0.00 -0.00 0.00 0.00 179.01 178.80 3jyu h ALA 102 N 1.25 0.44 -0.17 1.06 0.00 -1.68 -2.71 119.26 117.44 3jyu h ALA 102 Ca 0.29 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.69 3jyu h ALA 102 Cb 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3jyu h ALA 102 CO -0.05 0.68 0.05 2.35 0.00 0.00 0.00 179.25 182.29 3jyu h TRP 103 N 0.65 0.09 -0.69 0.00 2.91 -0.73 -1.04 115.95 117.14 3jyu h TRP 103 Ca 0.00 0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.13 3jyu h TRP 103 Cb 1.21 -0.02 -0.08 0.00 -0.51 0.00 0.00 29.16 29.76 3jyu h TRP 103 CO 0.07 0.05 0.30 -0.91 -1.03 0.00 0.00 178.44 176.92 3jyu h ASN 104 N 0.13 0.35 0.04 2.65 2.35 -1.20 0.38 115.58 120.27 3jyu h ASN 104 Ca 0.07 0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3jyu h ASN 104 Cb 0.05 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3jyu h ASN 104 CO -0.08 0.19 -0.02 0.11 -1.65 0.00 0.00 177.43 175.98 3jyu h LYS 105 N 0.51 -0.05 -0.80 0.81 1.57 -1.12 0.09 116.57 117.58 3jyu h LYS 105 Ca 0.35 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.09 3jyu h LYS 105 Cb 0.43 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 3jyu h LYS 105 CO -0.31 0.06 0.34 -0.07 -0.57 0.00 0.00 179.45 178.90 3jyu h LEU 106 N -0.16 1.10 -0.11 2.94 3.38 -0.87 -0.30 115.31 121.29 3jyu h LEU 106 Ca -0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3jyu h LEU 106 Cb 0.14 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3jyu h LEU 106 CO 0.01 0.96 -0.03 0.25 0.09 0.00 0.00 178.44 179.72 3jyu h LEU 107 N 1.16 0.21 -0.82 1.67 5.85 -0.90 0.67 115.31 123.16 3jyu h LEU 107 Ca 0.27 -0.38 0.11 0.00 0.84 0.00 0.00 57.88 58.72 3jyu h LEU 107 Cb 0.19 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 3jyu h LEU 107 CO -0.02 0.54 0.45 0.78 -0.34 0.00 0.00 178.44 179.85 3jyu h ASN 108 N -0.12 0.62 0.18 1.25 2.35 -0.77 0.19 115.58 119.29 3jyu h ASN 108 Ca 0.03 0.06 -0.20 0.00 -0.55 0.00 0.00 56.30 55.63 3jyu h ASN 108 Cb 0.45 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3jyu h ASN 108 CO 0.01 0.34 -0.80 -0.50 -1.65 0.00 0.00 177.43 174.83 3jyu h TRP 109 N 0.74 0.69 0.00 1.19 6.55 -0.80 -3.39 115.95 120.92 3jyu h TRP 109 Ca 0.41 -0.32 -0.01 0.00 0.95 0.00 0.00 58.89 59.92 3jyu h TRP 109 Cb 0.43 -0.10 -0.00 0.00 -0.86 0.00 0.00 29.16 28.63 3jyu h TRP 109 CO -0.07 1.11 -1.29 0.66 -1.05 0.00 0.00 178.44 177.81 3jyu n TYR 110 N -3.84 0.00 -1.62 0.49 4.01 0.21 -4.64 117.16 111.77 3jyu n TYR 110 Ca -0.06 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.73 3jyu n TYR 110 Cb 0.75 -0.15 -0.01 0.00 -0.31 0.00 0.00 39.34 39.62 3jyu n TYR 110 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jyu n GLY 111 N 2.21 -2.02 3.17 2.72 0.00 0.05 -3.73 105.19 107.58 3jyu n GLY 111 Ca -0.02 -1.37 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 3jyu n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyu n VAL 113 N 0.14 0.18 -1.51 0.00 0.31 -0.41 -4.80 118.33 112.23 3jyu n VAL 113 Ca -0.13 -0.03 -0.51 0.00 -0.01 0.00 0.00 64.34 63.65 3jyu n VAL 113 Cb 0.60 -1.66 -0.05 0.00 -0.91 0.00 0.00 33.84 31.82 3jyu n VAL 113 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3jyu n GLU 114 N 4.41 0.56 0.00 5.55 4.07 -1.26 -1.73 120.64 132.24 3jyu n GLU 114 Ca 0.18 0.20 0.00 0.00 -0.06 0.00 0.00 57.16 57.48 3jyu n GLU 114 Cb 0.29 -1.57 0.00 0.00 -0.06 0.00 0.00 31.44 30.11 3jyu n GLU 114 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3jyu n GLY 115 N 1.85 2.92 3.61 8.31 0.00 -1.26 -5.00 105.19 115.62 3jyu n GLY 115 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3jyu n GLY 115 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jyu s GLN 116 N -0.17 3.79 0.40 1.61 -0.21 -0.70 -5.02 119.66 119.36 3jyu s GLN 116 Ca 0.00 0.92 -0.25 0.00 0.02 0.00 0.00 55.36 56.06 3jyu s GLN 116 Cb 0.00 -3.91 -0.08 0.00 1.00 0.00 0.00 33.01 30.02 3jyu s GLN 116 CO 0.00 -1.29 1.13 1.14 -2.12 0.00 0.00 175.29 174.15 3jyu s GLN 117 N 4.39 4.07 0.34 2.91 1.03 -1.26 -4.89 119.66 126.26 3jyu s GLN 117 Ca 0.53 1.72 -0.27 0.00 0.04 0.00 0.00 55.36 57.38 3jyu s GLN 117 Cb -0.12 -2.62 -0.12 0.00 0.03 0.00 0.00 33.01 30.18 3jyu s GLN 117 CO 0.27 -0.27 1.15 -2.30 -2.54 0.00 0.00 175.29 171.60 3jyu n PRO 118 N -0.00 1.73 -3.32 9.60 -0.02 -1.26 -4.92 135.00 136.80 3jyu n PRO 118 Ca 0.05 0.61 -0.47 0.00 -2.02 0.00 0.00 63.50 61.67 3jyu n PRO 118 Cb 0.48 -2.12 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 3jyu n PRO 118 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3jyu s ILE 119 N -1.12 5.63 -0.10 4.25 1.01 -1.26 -5.03 121.20 124.57 3jyu s ILE 119 Ca 0.58 -2.53 -0.04 0.00 0.00 0.00 0.00 60.65 58.66 3jyu s ILE 119 Cb -0.61 -4.49 -0.04 0.00 0.01 0.00 0.00 42.46 37.34 3jyu s ILE 119 CO 0.60 -1.05 0.06 0.54 0.00 0.00 0.00 174.94 175.09 3jyu s VAL 120 N 0.11 4.82 0.06 2.92 0.11 -1.26 -1.06 120.40 126.09 3jyu s VAL 120 Ca 0.19 -0.05 -0.08 0.00 -2.93 0.00 0.00 61.98 59.11 3jyu s VAL 120 Cb -0.10 -3.06 -0.01 0.00 -1.53 0.00 0.00 36.38 31.68 3jyu s VAL 120 CO -0.09 0.61 0.15 -0.13 -3.33 0.00 0.00 175.10 172.31 3jyu s ARG 121 N -0.92 0.71 0.10 1.54 1.81 -0.38 -4.98 118.95 116.84 3jyu s ARG 121 Ca 0.14 -0.82 0.03 0.00 -1.72 0.00 0.00 55.73 53.36 3jyu s ARG 121 Cb -0.12 0.29 -0.04 0.00 -0.45 0.00 0.00 34.95 34.63 3jyu s ARG 121 CO 0.03 -0.20 0.15 0.15 -0.68 0.00 0.00 175.30 174.75 3jyu s LYS 122 N -3.13 3.10 -0.08 3.54 1.02 -1.26 -0.98 119.74 121.95 3jyu s LYS 122 Ca -0.01 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.03 3jyu s LYS 122 Cb 0.02 -2.82 -0.02 0.00 -0.52 0.00 0.00 37.83 34.49 3jyu s LYS 122 CO -0.07 0.55 1.05 0.08 -0.92 0.00 0.00 175.35 176.05 3jyu s VAL 123 N -1.55 4.65 0.17 3.17 1.01 -0.03 -1.09 120.40 126.74 3jyu s VAL 123 Ca 0.32 1.93 0.11 0.00 0.00 0.00 0.00 61.98 64.33 3jyu s VAL 123 Cb -0.12 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 3jyu s VAL 123 CO 0.25 0.02 -0.23 0.68 0.00 0.00 0.00 175.10 175.81 3jyu s VAL 124 N 1.97 2.21 -0.15 2.92 -7.23 0.26 -0.68 120.40 119.70 3jyu s VAL 124 Ca 0.51 -1.94 -0.15 0.00 -1.81 0.00 0.00 61.98 58.58 3jyu s VAL 124 Cb -0.20 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 3jyu s VAL 124 CO 0.20 -0.11 0.36 -1.83 -0.31 0.00 0.00 175.10 173.41 3jyu s GLU 125 N -2.54 4.28 0.16 4.82 -1.05 -1.26 -1.31 118.70 121.80 3jyu s GLU 125 Ca 0.18 0.22 -0.01 0.00 -0.15 0.00 0.00 54.97 55.22 3jyu s GLU 125 Cb -0.08 -3.44 0.00 0.00 -0.44 0.00 0.00 34.13 30.17 3jyu s GLU 125 CO 0.08 0.18 0.22 -2.39 0.95 0.00 0.00 175.26 174.30 3jyu n HIS 126 N 3.70 -0.87 0.00 4.83 1.44 -0.54 -4.96 115.22 118.82 3jyu n HIS 126 Ca -0.10 -1.08 0.00 0.00 -2.01 0.00 0.00 57.72 54.53 3jyu n HIS 126 Cb 0.52 0.25 0.00 0.00 0.12 0.00 0.00 29.99 30.87 3jyu n HIS 126 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3jyu n GLY 127 N -0.26 4.41 0.15 -1.39 0.00 -1.26 -1.30 105.19 105.53 3jyu n GLY 127 Ca 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 46.02 45.05 3jyu n GLY 127 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3jyu h LEU 128 N 0.00 0.00 0.00 0.99 3.38 -2.01 -3.45 115.31 114.22 3jyu h LEU 128 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3jyu h LEU 128 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3jyu h LEU 128 CO 0.00 0.53 0.00 0.33 0.09 0.00 0.00 178.44 179.39 3jyu n PHE 129 N -3.61 0.00 -1.64 1.13 -0.00 -1.26 -5.06 117.46 107.03 3jyu n PHE 129 Ca -0.00 0.00 -0.47 0.00 -0.00 0.00 0.00 57.45 56.98 3jyu n PHE 129 Cb 0.60 0.00 -0.04 0.00 -0.00 0.00 0.00 39.48 40.04 3jyu n PHE 129 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3jyu n VAL 130 N 0.00 0.59 -2.98 -2.13 0.31 -1.26 -4.96 118.33 107.90 3jyu n VAL 130 Ca 0.00 -0.15 -0.40 0.00 -0.01 0.00 0.00 64.34 63.79 3jyu n VAL 130 Cb 0.00 -1.25 -0.06 0.00 -0.91 0.00 0.00 33.84 31.62 3jyu n VAL 130 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3jyu s LYS 131 N 0.02 4.55 0.06 5.55 -0.14 -1.26 -4.42 119.74 124.10 3jyu s LYS 131 Ca 0.74 1.14 -0.17 0.00 -1.36 0.00 0.00 55.97 56.32 3jyu s LYS 131 Cb -0.74 -3.29 0.03 0.00 -1.68 0.00 0.00 37.83 32.15 3jyu s LYS 131 CO 0.47 0.49 0.38 -3.38 -0.76 0.00 0.00 175.35 172.56 3jyu s HIS 132 N -0.85 -0.21 0.17 3.18 -3.43 -0.42 -4.98 115.29 108.75 3jyu s HIS 132 Ca 0.37 0.08 -0.15 0.00 -0.80 0.00 0.00 55.06 54.55 3jyu s HIS 132 Cb -0.22 0.20 -0.07 0.00 -1.43 0.00 0.00 32.58 31.05 3jyu s HIS 132 CO 0.25 -0.59 0.58 0.00 -2.00 0.00 0.00 174.74 172.99 3jyu s LYS 134 N -2.05 0.89 -0.21 0.00 -2.85 -0.42 -4.97 119.74 110.13 3jyu s LYS 134 Ca 0.40 -1.10 -0.24 0.00 -1.00 0.00 0.00 55.97 54.02 3jyu s LYS 134 Cb -0.15 0.32 -0.01 0.00 -2.06 0.00 0.00 37.83 35.93 3jyu s LYS 134 CO 0.19 -0.28 0.80 0.08 0.10 0.00 0.00 175.35 176.24 3jyu s VAL 135 N -3.92 4.88 -0.66 1.79 1.01 -1.26 -0.57 120.40 121.67 3jyu s VAL 135 Ca 0.10 1.54 -0.28 0.00 0.00 0.00 0.00 61.98 63.34 3jyu s VAL 135 Cb 0.05 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.36 3jyu s VAL 135 CO -0.07 -0.00 1.24 -0.70 0.00 0.00 0.00 175.10 175.56 3jyu s GLU 136 N 2.42 3.35 -0.04 2.72 2.12 -0.25 -4.83 118.70 124.19 3jyu s GLU 136 Ca 0.35 -0.01 0.09 0.00 0.36 0.00 0.00 54.97 55.77 3jyu s GLU 136 Cb -0.16 -4.10 -0.23 0.00 0.26 0.00 0.00 34.13 29.90 3jyu s GLU 136 CO 0.10 -1.92 0.69 0.28 -0.54 0.00 0.00 175.26 173.87 3jyu h VAL 137 N 6.09 0.90 -3.47 3.70 2.07 -1.94 -3.39 116.25 120.21 3jyu h VAL 137 Ca -0.27 -2.72 -0.67 0.00 0.82 0.00 0.00 66.70 63.86 3jyu h VAL 137 Cb 1.05 2.48 -0.31 0.00 -1.52 0.00 0.00 31.29 32.99 3jyu h VAL 137 CO 1.23 0.58 -0.75 -0.31 0.02 0.00 0.00 177.57 178.35 3jyu s TYR 138 N -2.60 3.04 0.50 1.57 2.02 -1.26 -5.08 117.35 115.53 3jyu s TYR 138 Ca -0.06 -1.46 -0.04 0.00 -0.37 0.00 0.00 57.07 55.13 3jyu s TYR 138 Cb 0.08 -2.06 -0.02 0.00 -0.40 0.00 0.00 41.96 39.56 3jyu s TYR 138 CO 0.82 -0.71 0.79 -0.51 -1.57 0.00 0.00 175.55 174.38 3jyu s LEU 139 N 1.35 3.53 -0.22 -1.29 1.43 -1.26 -4.86 118.68 117.36 3jyu s LEU 139 Ca 0.01 0.75 -0.26 0.00 -1.03 0.00 0.00 54.13 53.61 3jyu s LEU 139 Cb -0.16 -3.65 -0.00 0.00 0.03 0.00 0.00 46.19 42.40 3jyu s LEU 139 CO -0.05 -0.73 0.89 -0.22 0.23 0.00 0.00 176.35 176.47 3jyu s LEU 140 N -4.77 4.11 -0.11 1.79 2.96 0.52 -4.85 118.68 118.34 3jyu s LEU 140 Ca 0.49 1.16 -0.23 0.00 -0.22 0.00 0.00 54.13 55.34 3jyu s LEU 140 Cb -0.10 -3.29 -0.03 0.00 0.50 0.00 0.00 46.19 43.26 3jyu s LEU 140 CO 0.44 -0.53 0.68 -0.70 -1.32 0.00 0.00 176.35 174.92 3jyu s GLU 141 N 2.75 4.37 0.09 1.98 -6.30 -1.26 0.01 118.70 120.35 3jyu s GLU 141 Ca 0.38 0.80 0.07 0.00 -2.50 0.00 0.00 54.97 53.73 3jyu s GLU 141 Cb -0.16 -3.48 -0.03 0.00 0.00 0.00 0.00 34.13 30.46 3jyu s GLU 141 CO 0.08 -0.02 -0.19 -0.51 0.02 0.00 0.00 175.26 174.64 3jyu s LEU 142 N 1.13 2.30 -0.27 2.70 1.43 0.90 -0.15 118.68 126.72 3jyu s LEU 142 Ca 0.35 -0.67 -0.10 0.00 -1.03 0.00 0.00 54.13 52.68 3jyu s LEU 142 Cb -0.17 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 3jyu s LEU 142 CO 0.15 0.02 0.14 -0.54 0.23 0.00 0.00 176.35 176.36 3jyu s LYS 143 N -1.87 3.83 -0.09 1.70 -0.14 -0.18 -0.21 119.74 122.77 3jyu s LYS 143 Ca 0.04 -0.39 0.00 0.00 -1.36 0.00 0.00 55.97 54.27 3jyu s LYS 143 Cb -0.10 -3.53 -0.03 0.00 -1.68 0.00 0.00 37.83 32.49 3jyu s LYS 143 CO 0.04 -0.19 -0.08 -0.51 -0.76 0.00 0.00 175.35 173.85 3jyu s LEU 144 N 1.70 3.09 0.26 3.17 1.43 0.12 -0.84 118.68 127.62 3jyu s LEU 144 Ca 0.07 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 3jyu s LEU 144 Cb -0.16 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 3jyu s LEU 144 CO 0.08 0.31 0.47 0.00 0.23 0.00 0.00 176.35 177.43 3jyu s GLU 146 N -3.86 2.79 0.31 0.00 -6.30 -1.26 -1.69 118.70 108.69 3jyu s GLU 146 Ca 0.24 -0.65 0.08 0.00 -2.50 0.00 0.00 54.97 52.14 3jyu s GLU 146 Cb -0.00 -2.51 0.85 0.00 0.00 0.00 0.00 34.13 32.46 3jyu s GLU 146 CO 0.11 0.54 1.71 -0.97 0.02 0.00 0.00 175.26 176.66 3jyu h ASN 147 N 5.65 0.54 -0.03 -1.70 -1.24 -1.38 -1.67 115.58 115.74 3jyu h ASN 147 Ca -0.42 0.15 0.00 0.00 0.71 0.00 0.00 56.30 56.74 3jyu h ASN 147 Cb 1.17 0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.30 3jyu h ASN 147 CO 0.52 0.05 0.00 -1.54 -1.29 0.00 0.00 177.43 175.17 3jyu n SER 148 N -4.96 0.29 -2.73 1.15 3.41 -1.26 -4.22 113.62 105.30 3jyu n SER 148 Ca 0.26 -1.47 -0.07 0.00 -0.26 0.00 0.00 58.87 57.32 3jyu n SER 148 Cb 0.73 -0.02 0.06 0.00 -0.26 0.00 0.00 64.21 64.72 3jyu n SER 148 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3jyu n ASP 149 N -0.59 -2.49 0.15 4.04 2.03 -0.63 -5.03 116.55 114.03 3jyu n ASP 149 Ca 0.14 -2.95 0.12 0.00 0.52 0.00 0.00 54.79 52.62 3jyu n ASP 149 Cb 0.11 1.57 0.54 0.00 -0.72 0.00 0.00 41.12 42.62 3jyu n ASP 149 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3jyu n PRO 150 N 1.54 0.19 0.07 -0.67 -0.02 -1.21 -1.73 135.00 133.17 3jyu n PRO 150 Ca 0.07 0.51 -0.04 0.00 -2.02 0.00 0.00 63.50 62.02 3jyu n PRO 150 Cb 0.65 -1.93 -0.08 0.00 -0.02 0.00 0.00 33.50 32.13 3jyu n PRO 150 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3jyu h THR 151 N 0.00 1.33 -0.87 3.45 1.35 -1.96 -3.40 112.91 112.82 3jyu h THR 151 Ca 0.00 -2.94 -0.51 0.00 -0.55 0.00 0.00 66.41 62.40 3jyu h THR 151 Cb 0.24 2.65 -0.07 0.00 -1.73 0.00 0.00 68.15 69.24 3jyu h THR 151 CO 0.00 0.76 1.45 0.21 -0.25 0.00 0.00 175.52 177.69 3jyu s ASN 152 N -6.54 6.07 -0.18 5.36 2.47 -0.71 -4.96 114.94 116.46 3jyu s ASN 152 Ca 0.01 -1.57 -0.04 0.00 0.42 0.00 0.00 52.86 51.69 3jyu s ASN 152 Cb 0.09 -2.57 -0.02 0.00 -1.45 0.00 0.00 41.25 37.30 3jyu s ASN 152 CO 0.80 -1.92 -0.04 -0.69 -3.72 0.00 0.00 177.10 171.53 3jyu s VAL 153 N 6.79 3.68 -0.10 -5.21 1.01 -1.26 -4.41 120.40 120.91 3jyu s VAL 153 Ca 0.57 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3jyu s VAL 153 Cb -0.01 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3jyu s VAL 153 CO 0.00 0.46 -0.12 -0.76 0.00 0.00 0.00 175.10 174.68 3jyu s LEU 154 N 0.83 2.83 0.21 3.92 1.43 0.30 -4.90 118.68 123.30 3jyu s LEU 154 Ca -0.01 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.57 3jyu s LEU 154 Cb -0.15 -1.62 -0.08 0.00 0.03 0.00 0.00 46.19 44.38 3jyu s LEU 154 CO 0.02 0.25 0.94 -0.55 0.23 0.00 0.00 176.35 177.24 3jyu s SER 155 N -0.17 7.61 -0.09 2.29 0.15 -1.26 0.15 113.70 122.39 3jyu s SER 155 Ca 0.00 1.91 -0.11 0.00 0.70 0.00 0.00 55.95 58.46 3jyu s SER 155 Cb -0.13 -2.60 0.03 0.00 -1.71 0.00 0.00 66.02 61.60 3jyu s SER 155 CO 0.03 0.11 0.28 0.00 1.20 0.00 0.00 173.24 174.86 3jyu s HIS 157 N -0.19 3.25 0.12 0.00 3.76 -1.26 -0.07 115.29 120.89 3jyu s HIS 157 Ca -0.03 0.12 0.07 0.00 -0.15 0.00 0.00 55.06 55.06 3jyu s HIS 157 Cb -0.03 -1.97 -0.04 0.00 1.11 0.00 0.00 32.58 31.65 3jyu s HIS 157 CO 0.01 0.29 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.97 3jyu s PHE 158 N -0.13 1.53 0.51 1.40 0.08 0.10 -4.93 117.98 116.55 3jyu s PHE 158 Ca 0.06 -0.50 -0.20 0.00 0.12 0.00 0.00 56.93 56.41 3jyu s PHE 158 Cb -0.12 -0.81 -0.07 0.00 -0.57 0.00 0.00 43.02 41.45 3jyu s PHE 158 CO 0.01 0.18 1.09 0.45 -0.10 0.00 0.00 175.22 176.86 3jyu s SER 159 N -2.30 6.01 0.49 1.36 0.15 -1.26 -0.35 113.70 117.80 3jyu s SER 159 Ca 0.08 2.07 0.20 0.00 0.70 0.00 0.00 55.95 59.01 3jyu s SER 159 Cb -0.07 -2.57 1.26 0.00 -1.71 0.00 0.00 66.02 62.93 3jyu s SER 159 CO 0.04 -1.01 2.06 0.07 1.20 0.00 0.00 173.24 175.60 3jyu h LYS 160 N 1.40 0.00 0.00 5.44 2.10 -1.96 -2.73 116.57 120.81 3jyu h LYS 160 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 3jyu h LYS 160 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3jyu h LYS 160 CO 0.58 0.12 -0.40 0.00 -2.00 0.00 0.00 179.45 177.75 3jyu n ALA 161 N -2.43 2.70 -1.40 0.07 0.00 -1.26 -3.02 120.51 115.17 3jyu n ALA 161 Ca -0.02 -0.17 -0.34 0.00 0.00 0.00 0.00 53.44 52.91 3jyu n ALA 161 Cb 0.20 -1.28 0.08 0.00 0.00 0.00 0.00 19.45 18.46 3jyu n ALA 161 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3jyu s ASP 162 N -4.33 4.42 0.58 0.00 1.01 -1.03 -4.76 116.67 112.55 3jyu s ASP 162 Ca 0.08 2.29 0.07 0.00 0.71 0.00 0.00 52.55 55.69 3jyu s ASP 162 Cb 0.13 -2.58 0.08 0.00 1.01 0.00 0.00 42.92 41.56 3jyu s ASP 162 CO 0.68 -2.11 0.79 0.42 0.21 0.00 0.00 175.17 175.16 3jyu s THR 163 N -2.04 2.32 0.28 -1.27 -4.23 -1.26 -1.34 115.64 108.11 3jyu s THR 163 Ca 0.73 -0.90 0.01 0.00 -1.18 0.00 0.00 61.69 60.35 3jyu s THR 163 Cb -0.27 -2.42 0.10 0.00 1.34 0.00 0.00 72.50 71.24 3jyu s THR 163 CO 0.44 0.00 1.76 0.40 -0.54 0.00 0.00 174.62 176.68 3jyu h ILE 164 N 0.11 1.24 -0.73 2.99 1.08 -1.38 -2.25 117.51 118.57 3jyu h ILE 164 Ca -0.34 -1.10 0.12 0.00 -0.39 0.00 0.00 64.86 63.16 3jyu h ILE 164 Cb 1.28 1.14 -0.09 0.00 -3.07 0.00 0.00 36.82 36.09 3jyu h ILE 164 CO 0.42 0.36 0.31 0.00 -0.69 0.00 0.00 178.15 178.55 3jyu h ALA 165 N 1.32 1.02 -0.74 1.87 0.00 -1.73 -1.48 119.26 119.52 3jyu h ALA 165 Ca 0.09 0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.21 3jyu h ALA 165 Cb 0.55 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 3jyu h ALA 165 CO 0.03 -0.16 0.36 1.15 0.00 0.00 0.00 179.25 180.63 3jyu h THR 166 N 0.48 0.79 -0.03 0.00 2.02 -1.71 -1.58 112.91 112.88 3jyu h THR 166 Ca 0.39 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.37 3jyu h THR 166 Cb 0.54 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3jyu h THR 166 CO -0.36 0.10 0.01 0.40 0.37 0.00 0.00 175.52 176.04 3jyu h ILE 167 N 0.58 1.19 -0.60 3.11 2.04 -1.26 -1.70 117.51 120.87 3jyu h ILE 167 Ca 0.38 -0.58 0.04 0.00 1.00 0.00 0.00 64.86 65.70 3jyu h ILE 167 Cb 0.46 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 3jyu h ILE 167 CO -0.31 0.16 0.34 -0.33 0.00 0.00 0.00 178.15 178.01 3jyu h GLU 168 N -0.17 0.64 -0.50 2.37 4.39 -1.11 -2.13 114.58 118.07 3jyu h GLU 168 Ca 0.01 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.69 3jyu h GLU 168 Cb 0.24 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 3jyu h GLU 168 CO 0.00 0.42 0.32 -0.22 -1.16 0.00 0.00 179.01 178.37 3jyu h LYS 169 N 0.66 0.62 -0.96 2.33 3.64 -1.20 0.90 116.57 122.56 3jyu h LYS 169 Ca 0.25 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3jyu h LYS 169 Cb 0.09 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3jyu h LYS 169 CO -0.14 0.41 0.00 -1.91 -2.27 0.00 0.00 179.45 175.55 3jyu n GLU 170 N -4.77 0.06 0.00 1.90 4.07 -0.65 -2.00 120.64 119.25 3jyu n GLU 170 Ca 0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 3jyu n GLU 170 Cb 0.05 -1.24 0.00 0.00 -0.06 0.00 0.00 31.44 30.19 3jyu n GLU 170 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3jyu n ARG 172 N 0.71 0.00 -0.06 5.31 1.74 0.31 -1.15 116.66 123.52 3jyu n ARG 172 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 3jyu n ARG 172 Cb 0.02 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.43 3jyu n ARG 172 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3jyu h LYS 173 N 0.00 0.31 0.00 5.56 3.64 -1.66 0.12 116.57 124.53 3jyu h LYS 173 Ca 0.00 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 3jyu h LYS 173 Cb 0.00 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3jyu h LYS 173 CO 0.00 0.24 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.09 3jyu h LEU 174 N 0.28 0.00 -1.44 5.20 3.38 -1.42 -3.29 115.31 118.01 3jyu h LEU 174 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3jyu h LEU 174 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3jyu h LEU 174 CO -0.02 0.27 0.00 0.49 0.09 0.00 0.00 178.44 179.27 3jyu n PHE 175 N -3.32 0.00 -3.36 1.13 3.72 -1.21 -5.03 117.46 109.39 3jyu n PHE 175 Ca 0.01 -0.12 -0.17 0.00 -0.05 0.00 0.00 57.45 57.11 3jyu n PHE 175 Cb 0.51 -0.01 0.07 0.00 -0.94 0.00 0.00 39.48 39.11 3jyu n PHE 175 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3jyu n ASN 176 N -0.12 -5.12 -4.57 4.37 5.15 0.33 -4.97 115.26 110.32 3jyu n ASN 176 Ca 0.00 -0.72 -0.40 0.00 -0.60 0.00 0.00 54.58 52.86 3jyu n ASN 176 Cb 0.08 -4.96 -0.10 0.00 -0.53 0.00 0.00 39.78 34.28 3jyu n ASN 176 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3jyu s ILE 177 N -3.41 5.20 0.13 -1.44 1.01 -0.72 -5.05 121.20 116.93 3jyu s ILE 177 Ca 0.33 0.25 -0.35 0.00 0.00 0.00 0.00 60.65 60.88 3jyu s ILE 177 Cb -0.05 -3.73 -0.16 0.00 0.01 0.00 0.00 42.46 38.53 3jyu s ILE 177 CO 0.75 0.06 1.25 -2.65 0.00 0.00 0.00 174.94 174.35 3jyu n PRO 178 N 5.30 1.18 0.04 2.79 -0.02 -1.26 -4.79 135.00 138.24 3jyu n PRO 178 Ca -0.10 0.42 0.07 0.00 -2.02 0.00 0.00 63.50 61.87 3jyu n PRO 178 Cb 0.50 -1.99 0.30 0.00 -0.02 0.00 0.00 33.50 32.29 3jyu n PRO 178 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jyu n ALA 179 N 1.99 1.47 0.72 3.55 0.00 -1.26 -1.11 120.51 125.86 3jyu n ALA 179 Ca 0.17 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.73 3jyu n ALA 179 Cb 0.22 -1.22 0.17 0.00 0.00 0.00 0.00 19.45 18.63 3jyu n ALA 179 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3jyu n GLU 180 N -1.69 0.19 -1.71 0.00 0.00 -1.26 -4.93 120.64 111.25 3jyu n GLU 180 Ca 0.02 0.04 -0.30 0.00 0.00 0.00 0.00 57.16 56.92 3jyu n GLU 180 Cb 0.13 -1.61 0.06 0.00 0.00 0.00 0.00 31.44 30.02 3jyu n GLU 180 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 3jyu s ARG 181 N -3.12 2.69 -0.12 3.44 6.06 -0.27 -5.05 118.95 122.59 3jyu s ARG 181 Ca 0.07 0.65 -0.05 0.00 -2.50 0.00 0.00 55.73 53.91 3jyu s ARG 181 Cb 0.15 -1.99 -0.04 0.00 0.06 0.00 0.00 34.95 33.14 3jyu s ARG 181 CO 0.73 -1.20 0.06 -2.00 -2.50 0.00 0.00 175.30 170.39 3jyu s GLU 182 N -5.21 3.36 0.09 5.12 2.56 -1.26 -4.98 118.70 118.38 3jyu s GLU 182 Ca 0.59 -0.30 0.03 0.00 0.00 0.00 0.00 54.97 55.29 3jyu s GLU 182 Cb -0.13 -3.02 -0.04 0.00 2.00 0.00 0.00 34.13 32.95 3jyu s GLU 182 CO 0.54 0.63 -0.09 0.95 -0.56 0.00 0.00 175.26 176.73 3jyu s THR 183 N -0.65 0.85 -0.04 -1.70 -4.23 -1.26 0.13 115.64 108.73 3jyu s THR 183 Ca 0.11 -1.65 0.04 0.00 -1.18 0.00 0.00 61.69 59.02 3jyu s THR 183 Cb -0.12 -1.35 -0.00 0.00 1.34 0.00 0.00 72.50 72.37 3jyu s THR 183 CO 0.02 -0.61 -0.17 -0.13 -0.54 0.00 0.00 174.62 173.20 3jyu s ARG 184 N -2.89 1.70 -0.17 3.99 0.52 -0.01 -4.96 118.95 117.12 3jyu s ARG 184 Ca 0.05 -0.59 -0.05 0.00 -0.52 0.00 0.00 55.73 54.62 3jyu s ARG 184 Cb -0.02 -1.50 -0.03 0.00 0.52 0.00 0.00 34.95 33.93 3jyu s ARG 184 CO -0.01 0.24 0.00 -1.17 0.02 0.00 0.00 175.30 174.39 3jyu s LEU 185 N 0.02 3.42 -0.14 2.53 2.96 -1.26 -0.74 118.68 125.47 3jyu s LEU 185 Ca -0.03 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 3jyu s LEU 185 Cb -0.11 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.75 3jyu s LEU 185 CO 0.02 0.15 -0.21 0.26 -1.32 0.00 0.00 176.35 175.25 3jyu s TRP 186 N 0.52 2.59 -0.49 5.38 0.52 0.23 -0.03 118.94 127.65 3jyu s TRP 186 Ca -0.01 -1.33 -0.27 0.00 0.02 0.00 0.00 56.10 54.52 3jyu s TRP 186 Cb -0.14 -1.77 0.03 0.00 -1.15 0.00 0.00 33.47 30.44 3jyu s TRP 186 CO 0.02 -0.62 1.02 1.21 0.02 0.00 0.00 176.95 178.61 3jyu s ASN 187 N 0.89 6.51 -0.86 2.95 2.47 0.26 -0.61 114.94 126.55 3jyu s ASN 187 Ca -0.06 0.16 -0.25 0.00 0.42 0.00 0.00 52.86 53.13 3jyu s ASN 187 Cb -0.15 -2.49 0.04 0.00 -1.45 0.00 0.00 41.25 37.20 3jyu s ASN 187 CO -0.03 -1.19 1.33 -0.75 -3.72 0.00 0.00 177.10 172.74 3jyu s LYS 188 N 4.14 3.37 -0.29 0.43 2.20 -0.77 -1.17 119.74 127.65 3jyu s LYS 188 Ca 0.40 -0.70 0.11 0.00 -0.36 0.00 0.00 55.97 55.43 3jyu s LYS 188 Cb -0.09 -4.71 0.75 0.00 -1.51 0.00 0.00 37.83 32.26 3jyu s LYS 188 CO 0.27 -2.15 1.76 2.48 -0.36 0.00 0.00 175.35 177.36 3jyu n TYR 189 N 8.99 2.23 0.00 4.03 4.11 -1.05 -4.26 117.16 131.21 3jyu n TYR 189 Ca 0.16 -1.09 0.00 0.00 -0.00 0.00 0.00 57.90 56.97 3jyu n TYR 189 Cb 0.50 -0.62 0.00 0.00 -0.00 0.00 0.00 39.34 39.22 3jyu n TYR 189 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 3jyu n SER 191 N -0.04 0.00 -0.45 9.48 2.88 -1.26 -5.00 113.62 119.24 3jyu n SER 191 Ca 0.36 0.94 0.07 0.00 -1.33 0.00 0.00 58.87 58.91 3jyu n SER 191 Cb 1.30 -0.44 0.15 0.00 -0.75 0.00 0.00 64.21 64.48 3jyu n SER 191 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3jyu n ASN 192 N -2.00 1.80 -4.56 -3.46 4.13 -1.26 -5.03 115.26 104.89 3jyu n ASN 192 Ca 0.00 -3.31 -0.34 0.00 1.68 0.00 0.00 54.58 52.61 3jyu n ASN 192 Cb 0.00 -0.45 -0.11 0.00 -1.54 0.00 0.00 39.78 37.68 3jyu n ASN 192 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3jyu s THR 193 N -2.64 3.98 0.01 3.41 2.01 -1.26 -5.11 115.64 116.03 3jyu s THR 193 Ca 0.33 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 62.01 3jyu s THR 193 Cb 0.31 -2.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.11 3jyu s THR 193 CO -0.03 0.54 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.04 3jyu s TYR 194 N -0.18 0.76 -0.05 4.92 2.02 -1.26 -2.52 117.35 121.05 3jyu s TYR 194 Ca 0.04 -0.22 0.05 0.00 -0.37 0.00 0.00 57.07 56.57 3jyu s TYR 194 Cb -0.13 -0.48 -0.02 0.00 -0.40 0.00 0.00 41.96 40.93 3jyu s TYR 194 CO 0.02 -0.02 -0.20 -2.00 -1.57 0.00 0.00 175.55 171.79 3jyu s GLU 195 N -0.55 2.44 0.03 -0.62 2.12 -0.32 -4.97 118.70 116.83 3jyu s GLU 195 Ca 0.01 -0.81 -0.28 0.00 0.36 0.00 0.00 54.97 54.25 3jyu s GLU 195 Cb -0.05 -2.25 -0.04 0.00 0.26 0.00 0.00 34.13 32.05 3jyu s GLU 195 CO 0.00 0.53 0.90 -1.14 -0.54 0.00 0.00 175.26 175.01 3jyu s GLN 196 N -0.52 4.57 -0.46 4.30 0.74 -1.26 -0.58 119.66 126.46 3jyu s GLN 196 Ca 0.07 1.29 -0.21 0.00 0.05 0.00 0.00 55.36 56.56 3jyu s GLN 196 Cb -0.11 -3.42 0.03 0.00 1.10 0.00 0.00 33.01 30.61 3jyu s GLN 196 CO 0.01 0.09 0.67 -0.51 -0.55 0.00 0.00 175.29 175.00 3jyu s LEU 197 N 0.53 4.52 0.00 3.68 1.43 0.96 -4.85 118.68 124.95 3jyu s LEU 197 Ca 0.46 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 3jyu s LEU 197 Cb -0.21 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.30 3jyu s LEU 197 CO 0.26 -0.84 0.00 -1.54 0.23 0.00 0.00 176.35 174.46 3jyu n SER 198 N 6.37 4.12 -4.53 2.29 3.41 -1.26 -4.17 113.62 119.86 3jyu n SER 198 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.16 3jyu n SER 198 Cb 0.47 0.67 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 3jyu n SER 198 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3jyu n LYS 199 N -1.42 3.18 0.00 4.33 4.76 -1.26 -4.76 118.16 122.99 3jyu n LYS 199 Ca 0.00 -3.25 0.07 0.00 -2.87 0.00 0.00 58.31 52.26 3jyu n LYS 199 Cb 0.15 -3.48 0.32 0.00 -1.84 0.00 0.00 35.03 30.18 3jyu n LYS 199 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3jyu n LEU 200 N 8.21 0.00 0.09 -0.35 4.77 -1.26 -2.86 117.00 125.60 3jyu n LEU 200 Ca 0.49 0.44 -0.07 0.00 -0.03 0.00 0.00 56.01 56.84 3jyu n LEU 200 Cb 0.46 -0.44 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3jyu n LEU 200 CO 0.78 -0.23 0.32 0.44 -1.33 0.00 0.00 177.39 177.37 3jyu h ASP 201 N 0.00 0.24 -2.73 -1.43 3.45 -1.97 -2.45 116.42 111.54 3jyu h ASP 201 Ca 0.00 -0.18 -0.46 0.00 0.43 0.00 0.00 57.03 56.82 3jyu h ASP 201 Cb 0.21 -0.07 0.02 0.00 -0.56 0.00 0.00 39.33 38.93 3jyu h ASP 201 CO 0.00 0.94 -0.12 0.54 -1.57 0.00 0.00 179.24 179.03 3jyu s ASN 202 N -6.91 5.94 1.02 6.45 2.20 -1.13 -4.79 114.94 117.71 3jyu s ASN 202 Ca -0.03 0.31 -0.12 0.00 -0.94 0.00 0.00 52.86 52.08 3jyu s ASN 202 Cb 0.11 -1.63 0.20 0.00 -2.00 0.00 0.00 41.25 37.92 3jyu s ASN 202 CO 0.82 -0.60 1.08 0.42 -2.94 0.00 0.00 177.10 175.87 3jyu s THR 203 N -2.49 2.18 0.23 0.54 -4.23 -1.26 -1.70 115.64 108.90 3jyu s THR 203 Ca 0.46 0.06 0.21 0.00 -1.18 0.00 0.00 61.69 61.24 3jyu s THR 203 Cb -0.10 -2.43 0.18 0.00 1.34 0.00 0.00 72.50 71.48 3jyu s THR 203 CO 0.37 -0.08 1.82 0.40 -0.54 0.00 0.00 174.62 176.60 3jyu h ILE 204 N -2.00 0.81 0.19 2.99 2.04 -1.12 -2.86 117.51 117.56 3jyu h ILE 204 Ca -0.55 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.06 3jyu h ILE 204 Cb 1.32 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 3jyu h ILE 204 CO 0.55 0.30 -0.09 1.56 0.00 0.00 0.00 178.15 180.46 3jyu h GLN 205 N 0.00 -0.24 -0.15 2.37 4.20 -1.85 -2.91 115.11 116.53 3jyu h GLN 205 Ca -0.00 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.77 3jyu h GLN 205 Cb 0.74 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 3jyu h GLN 205 CO 0.04 0.12 0.67 -0.44 -0.67 0.00 0.00 178.83 178.55 3jyu h ASP 206 N -0.66 0.00 0.34 1.46 3.32 -1.84 0.47 116.42 119.51 3jyu h ASP 206 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3jyu h ASP 206 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3jyu h ASP 206 CO 0.04 0.00 -1.20 0.00 -1.72 0.00 0.00 179.24 176.37 3jyu n ALA 207 N -1.83 3.39 -3.63 3.45 0.00 -1.12 -4.99 120.51 115.78 3jyu n ALA 207 Ca 0.02 -0.44 -0.23 0.00 0.00 0.00 0.00 53.44 52.80 3jyu n ALA 207 Cb 0.74 -0.92 0.06 0.00 0.00 0.00 0.00 19.45 19.34 3jyu n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jyu n GLY 208 N 1.35 -0.43 3.79 0.00 0.00 0.16 -4.98 105.19 105.09 3jyu n GLY 208 Ca 0.01 0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3jyu n GLY 208 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jyu s LEU 209 N -6.89 4.37 0.37 0.99 1.43 -1.23 -5.06 118.68 112.65 3jyu s LEU 209 Ca 0.30 1.72 0.04 0.00 -1.03 0.00 0.00 54.13 55.16 3jyu s LEU 209 Cb -0.14 -3.85 -0.01 0.00 0.03 0.00 0.00 46.19 42.22 3jyu s LEU 209 CO 0.77 -0.02 0.54 -0.31 0.23 0.00 0.00 176.35 177.56 3jyu s TYR 210 N -1.55 3.20 0.28 0.29 4.12 -1.26 -4.99 117.35 117.43 3jyu s TYR 210 Ca 0.47 -0.01 -0.30 0.00 0.02 0.00 0.00 57.07 57.25 3jyu s TYR 210 Cb -0.19 -2.08 -0.12 0.00 -1.52 0.00 0.00 41.96 38.06 3jyu s TYR 210 CO 0.23 -0.10 1.63 1.04 0.02 0.00 0.00 175.55 178.37 3jyu n GLN 211 N -1.80 2.76 -0.95 -0.62 1.13 -1.26 -2.18 117.38 114.46 3jyu n GLN 211 Ca -0.00 0.98 0.00 0.00 -1.94 0.00 0.00 57.00 56.04 3jyu n GLN 211 Cb 0.58 -2.78 0.00 0.00 0.11 0.00 0.00 30.24 28.14 3jyu n GLN 211 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3jyu n GLY 212 N 2.45 0.53 3.60 1.08 0.00 0.79 -4.99 105.19 108.65 3jyu n GLY 212 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3jyu n GLY 212 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3jyu n GLN 213 N -2.00 1.42 -3.57 1.61 -0.06 -0.93 -4.52 117.38 109.34 3jyu n GLN 213 Ca 0.00 0.50 -0.37 0.00 -2.00 0.00 0.00 57.00 55.13 3jyu n GLN 213 Cb 0.08 -1.93 -0.09 0.00 -4.06 0.00 0.00 30.24 24.23 3jyu n GLN 213 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3jyu s VAL 214 N -1.13 5.31 -0.07 1.69 1.01 -1.26 -1.01 120.40 124.94 3jyu s VAL 214 Ca 0.59 0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.98 3jyu s VAL 214 Cb -0.65 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 3jyu s VAL 214 CO 0.60 0.32 -0.21 -0.76 0.00 0.00 0.00 175.10 175.05 3jyu s LEU 215 N 1.07 2.33 -0.10 3.92 1.43 -0.02 -1.85 118.68 125.46 3jyu s LEU 215 Ca 0.12 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.84 3jyu s LEU 215 Cb -0.14 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.63 3jyu s LEU 215 CO 0.05 0.25 -0.24 0.54 0.23 0.00 0.00 176.35 177.19 3jyu s VAL 216 N -0.19 2.04 -0.07 -1.59 0.11 0.22 -1.92 120.40 119.00 3jyu s VAL 216 Ca -0.02 -1.01 -0.10 0.00 -2.93 0.00 0.00 61.98 57.93 3jyu s VAL 216 Cb -0.13 -1.77 -0.05 0.00 -1.53 0.00 0.00 36.38 32.90 3jyu s VAL 216 CO 0.03 0.56 0.24 -0.51 -3.33 0.00 0.00 175.10 172.09 3jyu s ILE 217 N 0.38 5.33 -0.23 7.04 2.07 -0.68 -0.60 121.20 134.50 3jyu s ILE 217 Ca -0.18 0.44 0.01 0.00 -1.41 0.00 0.00 60.65 59.50 3jyu s ILE 217 Cb -0.18 -3.51 0.06 0.00 0.13 0.00 0.00 42.46 38.96 3jyu s ILE 217 CO 0.08 0.60 -0.05 -0.70 -1.91 0.00 0.00 174.94 172.97 3jyu s GLU 218 N -1.06 1.56 0.34 3.50 2.12 0.08 -0.91 118.70 124.34 3jyu s GLU 218 Ca 0.18 -0.96 -0.26 0.00 0.36 0.00 0.00 54.97 54.29 3jyu s GLU 218 Cb -0.14 -2.56 -0.10 0.00 0.26 0.00 0.00 34.13 31.59 3jyu s GLU 218 CO 0.08 -0.61 0.97 -2.14 -0.54 0.00 0.00 175.26 173.02 3jyu s PRO 219 N 1.42 4.49 0.13 4.30 0.02 -1.26 -0.83 135.00 143.26 3jyu s PRO 219 Ca -0.05 1.38 -0.31 0.00 0.02 0.00 0.00 61.00 62.03 3jyu s PRO 219 Cb -0.19 -2.74 -0.09 0.00 0.02 0.00 0.00 34.50 31.51 3jyu s PRO 219 CO -0.06 0.18 1.49 -1.14 -0.33 0.00 0.00 177.00 177.13 3jyu s GLN 220 N -2.17 4.26 0.56 5.54 0.74 0.34 -4.57 119.66 124.37 3jyu s GLN 220 Ca 0.52 2.22 -0.20 0.00 0.05 0.00 0.00 55.36 57.95 3jyu s GLN 220 Cb -0.19 -3.25 -0.06 0.00 1.10 0.00 0.00 33.01 30.61 3jyu s GLN 220 CO 0.25 -0.54 1.00 0.09 -0.55 0.00 0.00 175.29 175.54 3jyu n ASN 221 N 4.14 1.01 0.24 6.67 3.02 -1.13 -4.74 115.26 124.46 3jyu n ASN 221 Ca 0.13 0.86 0.16 0.00 -0.03 0.00 0.00 54.58 55.70 3jyu n ASN 221 Cb 0.41 -1.40 0.84 0.00 -0.61 0.00 0.00 39.78 39.02 3jyu n ASN 221 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 3jyu h GLU 222 N 0.76 0.00 0.00 3.52 4.11 -1.93 -2.01 114.58 119.03 3jyu h GLU 222 Ca -0.48 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.88 3jyu h GLU 222 Cb 1.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 3jyu h GLU 222 CO 0.52 0.00 -0.31 0.38 0.07 0.00 0.00 179.01 179.67 3jyu h ASP 223 N 0.00 0.00 0.00 3.06 3.04 -2.03 -3.47 116.42 117.02 3jyu h ASP 223 Ca 0.05 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.84 3jyu h ASP 223 Cb 0.28 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.57 3jyu h ASP 223 CO -0.00 0.31 0.00 0.61 -2.04 0.00 0.00 179.24 178.12 3jyu n GLY 224 N 1.08 1.11 2.19 7.15 0.00 -0.75 -5.12 105.19 110.83 3jyu n GLY 224 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 3jyu n GLY 224 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3jyu n THR 225 N 0.00 0.00 -3.67 2.61 5.66 -1.26 -4.77 114.28 112.85 3jyu n THR 225 Ca 0.00 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.79 3jyu n THR 225 Cb 0.00 -0.66 -0.18 0.00 -1.55 0.00 0.00 70.33 67.94 3jyu n THR 225 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 3jyu s TRP 226 N -1.75 0.13 -1.45 1.09 0.52 -1.26 -2.85 118.94 113.38 3jyu s TRP 226 Ca 0.45 0.12 0.00 0.00 0.02 0.00 0.00 56.10 56.69 3jyu s TRP 226 Cb -0.08 -0.54 0.00 0.00 -1.15 0.00 0.00 33.47 31.70 3jyu s TRP 226 CO 0.38 -0.26 0.36 -2.30 0.02 0.00 0.00 176.95 175.15