#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cyu s ILE 2 N 0.00 -0.22 -0.04 2.02 2.07 -1.26 -5.12 121.20 118.65 1cyu s ILE 2 Ca 0.00 -1.03 -0.30 0.00 -1.41 0.00 0.00 60.65 57.91 1cyu s ILE 2 Cb 0.00 -0.87 -0.03 0.00 0.13 0.00 0.00 42.46 41.69 1cyu s ILE 2 CO 0.00 -0.67 1.08 -2.16 -1.91 0.00 0.00 174.94 171.28 1cyu s PRO 3 N 1.61 4.44 -0.43 3.50 0.04 -1.26 -4.92 135.00 137.97 1cyu s PRO 3 Ca 0.15 1.52 -0.03 0.00 0.04 0.00 0.00 61.00 62.68 1cyu s PRO 3 Cb -0.17 -3.50 0.10 0.00 0.04 0.00 0.00 34.50 30.97 1cyu s PRO 3 CO -0.12 -0.27 2.63 0.41 0.04 0.00 0.00 177.00 179.69 1cyu n GLY 4 N 3.13 4.34 1.21 0.56 0.00 -1.26 -4.60 105.19 108.57 1cyu n GLY 4 Ca 0.09 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1cyu n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cyu n GLY 5 N 0.74 0.69 0.00 -0.02 0.00 -1.26 -4.82 105.19 100.52 1cyu n GLY 5 Ca 0.46 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1cyu n GLY 5 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1cyu n LEU 6 N -0.74 0.00 0.00 0.99 7.94 -1.26 -4.23 117.00 119.70 1cyu n LEU 6 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1cyu n LEU 6 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 1cyu n LEU 6 CO 0.00 -0.05 0.00 -1.20 -1.11 0.00 0.00 177.39 175.03 1cyu n SER 7 N -0.20 0.00 -4.45 1.96 7.64 -1.26 -4.12 113.62 113.19 1cyu n SER 7 Ca 0.00 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.44 1cyu n SER 7 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1cyu n SER 7 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1cyu s GLU 8 N 0.00 3.74 -0.29 1.43 0.41 -1.26 -4.91 118.70 117.82 1cyu s GLU 8 Ca 0.00 -2.00 -0.18 0.00 -0.41 0.00 0.00 54.97 52.38 1cyu s GLU 8 Cb 0.00 -4.96 0.13 0.00 -1.78 0.00 0.00 34.13 27.52 1cyu s GLU 8 CO 0.00 -1.77 0.95 0.00 -0.49 0.00 0.00 175.26 173.95 1cyu s ALA 9 N 2.35 -2.15 0.31 5.21 0.00 -1.26 -1.09 121.76 125.14 1cyu s ALA 9 Ca 0.35 2.15 0.07 0.00 0.00 0.00 0.00 51.96 54.53 1cyu s ALA 9 Cb -0.04 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 1cyu s ALA 9 CO -0.07 -0.32 0.35 0.15 0.00 0.00 0.00 175.76 175.87 1cyu s LYS 10 N 1.09 3.01 -0.44 0.00 3.01 -1.13 -4.84 119.74 120.43 1cyu s LYS 10 Ca -0.06 -1.07 -0.29 0.00 -1.01 0.00 0.00 55.97 53.54 1cyu s LYS 10 Cb -0.04 -2.68 0.02 0.00 -1.01 0.00 0.00 37.83 34.12 1cyu s LYS 10 CO -0.13 0.18 1.19 -1.25 0.51 0.00 0.00 175.35 175.85 1cyu s PRO 11 N -4.03 3.74 0.00 -1.68 0.04 -1.26 -1.94 135.00 129.87 1cyu s PRO 11 Ca 0.40 0.71 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1cyu s PRO 11 Cb -0.08 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1cyu s PRO 11 CO 0.28 -1.35 0.00 0.00 0.04 0.00 0.00 177.00 175.97 1cyu n ALA 12 N 7.90 -1.06 -1.50 8.56 0.00 -0.36 -4.81 120.51 129.23 1cyu n ALA 12 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.28 1cyu n ALA 12 Cb 0.48 -0.26 0.15 0.00 0.00 0.00 0.00 19.45 19.82 1cyu n ALA 12 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1cyu s THR 13 N -0.06 1.96 -1.37 0.00 -4.23 -1.26 -4.77 115.64 105.90 1cyu s THR 13 Ca 0.00 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 60.74 1cyu s THR 13 Cb 0.00 -2.73 0.37 0.00 1.34 0.00 0.00 72.50 71.48 1cyu s THR 13 CO 0.00 0.00 1.74 -0.81 -0.54 0.00 0.00 174.62 175.01 1cyu n PRO 14 N -3.90 0.28 -0.06 3.99 -0.04 -1.26 -1.60 135.00 132.40 1cyu n PRO 14 Ca 0.08 0.08 -0.06 0.00 -0.04 0.00 0.00 63.50 63.55 1cyu n PRO 14 Cb 0.59 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 1cyu n PRO 14 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1cyu n GLU 15 N -1.31 0.38 -0.10 0.54 2.13 -1.26 -3.85 120.64 117.18 1cyu n GLU 15 Ca 0.10 0.19 -0.06 0.00 0.66 0.00 0.00 57.16 58.05 1cyu n GLU 15 Cb 0.19 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 30.70 1cyu n GLU 15 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1cyu h ILE 16 N -0.74 0.53 -0.13 6.31 1.08 -1.93 0.25 117.51 122.89 1cyu h ILE 16 Ca 0.00 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.51 1cyu h ILE 16 Cb 0.70 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 34.98 1cyu h ILE 16 CO 0.00 0.00 0.10 0.06 -0.69 0.00 0.00 178.15 177.62 1cyu h GLN 17 N -0.08 0.00 -0.32 2.37 3.07 -1.54 0.15 115.11 118.76 1cyu h GLN 17 Ca 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.87 1cyu h GLN 17 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.89 1cyu h GLN 17 CO -0.40 0.00 -0.01 1.49 0.09 0.00 0.00 178.83 179.99 1cyu h GLU 18 N 0.00 0.50 -0.45 0.06 4.81 -0.62 -1.02 114.58 117.87 1cyu h GLU 18 Ca 0.06 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1cyu h GLU 18 Cb 0.26 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1cyu h GLU 18 CO -0.00 0.53 0.30 0.97 -0.73 0.00 0.00 179.01 180.08 1cyu h ILE 19 N 0.48 1.05 0.00 2.32 -0.00 -0.17 0.02 117.51 121.20 1cyu h ILE 19 Ca 0.10 -0.17 -0.05 0.00 -0.00 0.00 0.00 64.86 64.74 1cyu h ILE 19 Cb 0.33 0.50 -0.01 0.00 -0.00 0.00 0.00 36.82 37.64 1cyu h ILE 19 CO 0.01 0.09 -0.24 0.58 -0.00 0.00 0.00 178.15 178.59 1cyu h VAL 20 N 0.51 1.09 -0.34 2.19 2.07 -1.10 0.04 116.25 120.70 1cyu h VAL 20 Ca 0.18 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1cyu h VAL 20 Cb 0.09 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1cyu h VAL 20 CO -0.04 0.24 0.00 -0.67 0.02 0.00 0.00 177.57 177.12 1cyu n ASP 21 N -4.12 2.32 0.00 0.57 2.03 -0.04 -2.66 116.55 114.66 1cyu n ASP 21 Ca -0.02 -1.90 0.00 0.00 0.52 0.00 0.00 54.79 53.39 1cyu n ASP 21 Cb 0.31 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 1cyu n ASP 21 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1cyu n LYS 22 N 0.75 0.00 0.01 -0.67 3.00 -0.50 -4.59 118.16 116.17 1cyu n LYS 22 Ca 0.16 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.60 1cyu n LYS 22 Cb 0.40 -0.04 0.43 0.00 0.00 0.00 0.00 35.03 35.82 1cyu n LYS 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1cyu n VAL 23 N -2.58 0.08 -2.66 3.15 0.31 -0.12 -3.94 118.33 112.57 1cyu n VAL 23 Ca 0.00 -0.05 -0.20 0.00 -0.01 0.00 0.00 64.34 64.08 1cyu n VAL 23 Cb 0.00 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 1cyu n VAL 23 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1cyu n LYS 24 N -1.61 2.41 0.00 5.55 5.02 -1.10 -4.84 118.16 123.59 1cyu n LYS 24 Ca 0.06 -4.03 0.08 0.00 -2.02 0.00 0.00 58.31 52.40 1cyu n LYS 24 Cb 0.35 -1.86 0.45 0.00 -0.02 0.00 0.00 35.03 33.96 1cyu n LYS 24 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1cyu n PRO 25 N -0.24 0.63 -0.03 1.97 -0.04 -1.09 -0.39 135.00 135.81 1cyu n PRO 25 Ca 0.27 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.67 1cyu n PRO 25 Cb 0.68 -1.38 -0.02 0.00 -0.04 0.00 0.00 33.50 32.74 1cyu n PRO 25 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1cyu n GLN 26 N -0.88 0.14 0.00 0.54 3.00 -1.26 -4.40 117.38 114.52 1cyu n GLN 26 Ca 0.11 0.05 0.04 0.00 -0.01 0.00 0.00 57.00 57.20 1cyu n GLN 26 Cb 0.05 -0.84 0.19 0.00 0.00 0.00 0.00 30.24 29.64 1cyu n GLN 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1cyu n LEU 27 N -3.10 0.00 0.03 1.08 4.77 -1.13 -0.32 117.00 118.33 1cyu n LEU 27 Ca -0.12 0.43 0.11 0.00 -0.03 0.00 0.00 56.01 56.40 1cyu n LEU 27 Cb 0.59 -0.43 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 1cyu n LEU 27 CO 0.02 -0.31 0.10 1.21 -1.33 0.00 0.00 177.39 177.08 1cyu n GLU 28 N -1.43 0.24 -0.38 3.23 0.00 0.47 -4.42 120.64 118.36 1cyu n GLU 28 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.20 1cyu n GLU 28 Cb 0.09 -1.59 0.00 0.00 0.00 0.00 0.00 31.44 29.94 1cyu n GLU 28 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1cyu n GLU 29 N -1.91 0.00 -0.07 5.31 0.28 -0.60 -4.75 120.64 118.90 1cyu n GLU 29 Ca 0.03 -0.58 -0.05 0.00 -0.16 0.00 0.00 57.16 56.40 1cyu n GLU 29 Cb 0.42 -0.33 -0.02 0.00 1.43 0.00 0.00 31.44 32.95 1cyu n GLU 29 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1cyu n LYS 30 N 0.00 0.44 -0.40 3.44 4.81 0.56 -3.83 118.16 123.19 1cyu n LYS 30 Ca 0.00 0.52 0.39 0.00 -0.87 0.00 0.00 58.31 58.35 1cyu n LYS 30 Cb 0.60 -1.67 0.76 0.00 0.02 0.00 0.00 35.03 34.74 1cyu n LYS 30 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1cyu h THR 31 N -0.98 0.31 -6.63 3.15 1.03 -1.79 -3.43 112.91 104.57 1cyu h THR 31 Ca 0.00 0.00 -0.51 0.00 -0.01 0.00 0.00 66.41 65.89 1cyu h THR 31 Cb 0.51 0.31 -0.20 0.00 -1.07 0.00 0.00 68.15 67.70 1cyu h THR 31 CO 0.00 0.00 -0.78 -0.46 -0.01 0.00 0.00 175.52 174.27 1cyu n ASN 32 N -4.09 0.25 -4.82 0.00 6.94 -1.25 -4.85 115.26 107.43 1cyu n ASN 32 Ca 0.30 -1.03 -0.32 0.00 -0.02 0.00 0.00 54.58 53.50 1cyu n ASN 32 Cb 1.42 -1.29 0.01 0.00 -2.36 0.00 0.00 39.78 37.56 1cyu n ASN 32 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1cyu s GLU 33 N -6.45 3.38 -0.27 -3.83 0.41 -1.26 -4.92 118.70 105.76 1cyu s GLU 33 Ca 0.16 1.03 -0.00 0.00 -0.41 0.00 0.00 54.97 55.75 1cyu s GLU 33 Cb -0.09 -2.05 0.22 0.00 -1.78 0.00 0.00 34.13 30.43 1cyu s GLU 33 CO 0.82 -0.74 1.86 -2.37 -0.49 0.00 0.00 175.26 174.34 1cyu n THR 34 N -2.31 2.53 -2.49 3.63 5.66 -1.26 -4.83 114.28 115.20 1cyu n THR 34 Ca 0.08 -1.38 0.00 0.00 -3.05 0.00 0.00 64.05 59.69 1cyu n THR 34 Cb 0.53 -1.21 0.00 0.00 -1.55 0.00 0.00 70.33 68.11 1cyu n THR 34 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1cyu n TYR 35 N 0.27 0.00 -3.38 1.09 4.01 -1.26 -5.07 117.16 112.82 1cyu n TYR 35 Ca 0.27 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.69 1cyu n TYR 35 Cb 0.68 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.65 1cyu n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cyu n GLY 36 N 0.00 4.76 1.18 2.72 0.00 -1.26 -4.68 105.19 107.92 1cyu n GLY 36 Ca 0.00 -2.71 0.04 0.00 0.00 0.00 0.00 46.02 43.34 1cyu n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cyu n LYS 37 N 1.25 0.21 -2.74 1.61 5.02 -1.26 -4.88 118.16 117.37 1cyu n LYS 37 Ca 0.27 -1.99 -0.34 0.00 -2.02 0.00 0.00 58.31 54.24 1cyu n LYS 37 Cb 0.38 -0.31 -0.01 0.00 -0.02 0.00 0.00 35.03 35.07 1cyu n LYS 37 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1cyu n LEU 38 N 0.18 5.87 0.00 -0.35 7.99 -1.26 0.42 117.00 129.84 1cyu n LEU 38 Ca 0.07 -5.50 0.00 0.00 -0.01 0.00 0.00 56.01 50.57 1cyu n LEU 38 Cb 1.01 -0.84 0.00 0.00 -0.11 0.00 0.00 43.42 43.48 1cyu n LEU 38 CO -0.03 2.20 0.00 1.21 -1.51 0.00 0.00 177.39 179.25 1cyu n GLU 39 N -0.19 0.00 -1.90 3.23 2.13 -0.97 -4.85 120.64 118.08 1cyu n GLU 39 Ca 0.39 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.88 1cyu n GLU 39 Cb 0.34 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.08 1cyu n GLU 39 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1cyu s ALA 40 N -1.00 2.56 -0.26 4.31 0.00 -1.26 -0.33 121.76 125.78 1cyu s ALA 40 Ca 0.00 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.55 1cyu s ALA 40 Cb 0.00 -3.31 -0.16 0.00 0.00 0.00 0.00 23.12 19.64 1cyu s ALA 40 CO 0.00 -1.10 -0.24 1.55 0.00 0.00 0.00 175.76 175.97 1cyu n VAL 41 N -2.13 1.47 0.00 0.00 3.14 -0.89 -4.08 118.33 115.84 1cyu n VAL 41 Ca 0.10 -0.55 0.00 0.00 -2.96 0.00 0.00 64.34 60.94 1cyu n VAL 41 Cb 0.52 -1.44 0.00 0.00 -1.06 0.00 0.00 33.84 31.85 1cyu n VAL 41 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1cyu n GLN 42 N -3.33 0.00 -3.63 1.45 0.00 -0.81 -1.23 117.38 109.83 1cyu n GLN 42 Ca -0.46 0.00 -0.15 0.00 -0.00 0.00 0.00 57.00 56.39 1cyu n GLN 42 Cb 0.97 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 31.08 1cyu n GLN 42 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 1cyu s TYR 43 N -2.00 -0.32 0.26 3.69 1.13 -0.82 -1.92 117.35 117.37 1cyu s TYR 43 Ca 0.00 0.71 -0.07 0.00 -1.41 0.00 0.00 57.07 56.30 1cyu s TYR 43 Cb 0.00 -0.17 -0.06 0.00 -1.10 0.00 0.00 41.96 40.63 1cyu s TYR 43 CO 0.00 -0.37 0.55 -1.59 -2.51 0.00 0.00 175.55 171.62 1cyu s LYS 44 N 2.36 3.72 0.06 -3.49 0.00 -0.17 -2.86 119.74 119.36 1cyu s LYS 44 Ca 0.03 0.15 0.09 0.00 0.00 0.00 0.00 55.97 56.23 1cyu s LYS 44 Cb -0.13 -2.65 -0.03 0.00 0.00 0.00 0.00 37.83 35.02 1cyu s LYS 44 CO -0.08 0.27 -0.24 0.95 0.00 0.00 0.00 175.35 176.25 1cyu s THR 45 N -1.94 1.95 0.12 3.79 -4.23 -0.25 -1.66 115.64 113.43 1cyu s THR 45 Ca 0.46 -1.39 -0.26 0.00 -1.18 0.00 0.00 61.69 59.32 1cyu s THR 45 Cb -0.11 -1.69 0.07 0.00 1.34 0.00 0.00 72.50 72.11 1cyu s THR 45 CO 0.25 0.23 0.91 0.00 -0.54 0.00 0.00 174.62 175.47 1cyu s GLN 46 N -1.39 1.14 0.00 3.99 -2.07 -0.96 -4.79 119.66 115.57 1cyu s GLN 46 Ca 0.10 -0.58 0.00 0.00 -1.82 0.00 0.00 55.36 53.06 1cyu s GLN 46 Cb -0.10 0.42 0.00 0.00 -1.09 0.00 0.00 33.01 32.25 1cyu s GLN 46 CO 0.03 -0.52 0.00 0.28 -1.32 0.00 0.00 175.29 173.76 1cyu n VAL 47 N -0.41 0.00 0.00 3.63 0.31 -1.26 0.36 118.33 120.96 1cyu n VAL 47 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1cyu n VAL 47 Cb 0.61 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 1cyu n VAL 47 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1cyu n VAL 48 N 0.00 0.00 0.00 2.52 3.14 -1.26 -3.18 118.33 119.55 1cyu n VAL 48 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1cyu n VAL 48 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1cyu n VAL 48 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1cyu n ALA 49 N 0.00 0.00 0.00 1.55 0.00 -1.26 -4.92 120.51 115.88 1cyu n ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cyu n ALA 49 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1cyu n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cyu n GLY 50 N 0.00 0.42 0.00 0.00 0.00 -1.23 0.16 105.19 104.54 1cyu n GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cyu n GLY 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1cyu n THR 51 N 0.00 0.00 -2.82 2.61 -1.04 -1.26 -4.48 114.28 107.29 1cyu n THR 51 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1cyu n THR 51 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 1cyu n THR 51 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1cyu s ASN 52 N 0.00 6.98 -0.05 8.00 3.84 0.16 -3.04 114.94 130.83 1cyu s ASN 52 Ca 0.00 1.70 -0.00 0.00 0.21 0.00 0.00 52.86 54.76 1cyu s ASN 52 Cb 0.00 -2.54 0.03 0.00 -0.55 0.00 0.00 41.25 38.19 1cyu s ASN 52 CO 0.00 -0.32 -0.01 -0.31 -2.79 0.00 0.00 177.10 173.67 1cyu s TYR 53 N -2.11 0.58 -0.40 0.43 2.02 0.20 -2.27 117.35 115.80 1cyu s TYR 53 Ca 0.60 -0.12 -0.10 0.00 -0.37 0.00 0.00 57.07 57.08 1cyu s TYR 53 Cb -0.10 -0.67 0.05 0.00 -0.40 0.00 0.00 41.96 40.84 1cyu s TYR 53 CO 0.14 -0.24 0.24 -0.47 -1.57 0.00 0.00 175.55 173.65 1cyu s TYR 54 N 1.52 3.28 -0.68 2.71 5.04 -0.66 0.41 117.35 128.97 1cyu s TYR 54 Ca -0.02 -1.22 -0.08 0.00 -2.44 0.00 0.00 57.07 53.31 1cyu s TYR 54 Cb -0.13 -2.71 0.18 0.00 0.35 0.00 0.00 41.96 39.65 1cyu s TYR 54 CO -0.03 -0.75 0.55 0.42 -1.34 0.00 0.00 175.55 174.40 1cyu s ILE 55 N 1.50 4.52 -0.30 3.14 -1.09 0.22 -1.00 121.20 128.19 1cyu s ILE 55 Ca 0.02 -2.61 -0.25 0.00 -2.23 0.00 0.00 60.65 55.58 1cyu s ILE 55 Cb -0.21 -3.88 0.01 0.00 -1.58 0.00 0.00 42.46 36.79 1cyu s ILE 55 CO 0.05 -0.92 0.88 -0.75 -1.23 0.00 0.00 174.94 172.96 1cyu s LYS 56 N 0.22 4.02 0.17 2.79 2.20 -0.81 -0.70 119.74 127.63 1cyu s LYS 56 Ca 0.16 0.78 -0.03 0.00 -0.36 0.00 0.00 55.97 56.52 1cyu s LYS 56 Cb -0.17 -3.72 -0.05 0.00 -1.51 0.00 0.00 37.83 32.38 1cyu s LYS 56 CO -0.05 -0.73 0.38 0.54 -0.36 0.00 0.00 175.35 175.13 1cyu s VAL 57 N 3.15 5.19 -0.12 4.02 0.11 -1.13 -1.93 120.40 129.68 1cyu s VAL 57 Ca 0.37 -0.16 -0.12 0.00 -2.93 0.00 0.00 61.98 59.14 1cyu s VAL 57 Cb -0.14 -3.67 -0.05 0.00 -1.53 0.00 0.00 36.38 30.99 1cyu s VAL 57 CO 0.13 -0.05 0.26 -0.60 -3.33 0.00 0.00 175.10 171.50 1cyu s ARG 58 N -2.95 3.97 -0.10 1.54 3.52 0.55 -3.10 118.95 122.38 1cyu s ARG 58 Ca 0.40 0.06 0.14 0.00 -0.13 0.00 0.00 55.73 56.20 1cyu s ARG 58 Cb -0.12 -3.32 0.30 0.00 -1.56 0.00 0.00 34.95 30.25 1cyu s ARG 58 CO 0.27 0.47 1.14 0.00 -0.81 0.00 0.00 175.30 176.38 1cyu n ALA 59 N 2.81 2.65 0.00 6.12 0.00 -1.11 -2.30 120.51 128.68 1cyu n ALA 59 Ca -0.15 -2.44 0.00 0.00 0.00 0.00 0.00 53.44 50.85 1cyu n ALA 59 Cb 0.53 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1cyu n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cyu n GLY 60 N -0.64 0.13 0.02 0.00 0.00 1.43 -3.80 105.19 102.32 1cyu n GLY 60 Ca 0.11 -1.99 0.09 0.00 0.00 0.00 0.00 46.02 44.23 1cyu n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cyu n ASP 61 N 0.00 0.20 -0.03 1.61 -0.08 -1.26 -4.51 116.55 112.48 1cyu n ASP 61 Ca 0.00 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1cyu n ASP 61 Cb 0.00 1.90 -0.08 0.00 2.34 0.00 0.00 41.12 45.28 1cyu n ASP 61 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1cyu n ASN 62 N -2.26 2.63 -4.91 1.67 6.94 -1.26 -4.99 115.26 113.08 1cyu n ASN 62 Ca -0.06 0.00 -0.33 0.00 -0.02 0.00 0.00 54.58 54.18 1cyu n ASN 62 Cb 0.58 1.09 -0.05 0.00 -2.36 0.00 0.00 39.78 39.04 1cyu n ASN 62 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1cyu s LYS 63 N -2.46 3.43 -0.28 -3.83 1.02 -1.25 -0.98 119.74 115.39 1cyu s LYS 63 Ca -0.04 -0.36 -0.18 0.00 0.02 0.00 0.00 55.97 55.41 1cyu s LYS 63 Cb 0.05 -3.08 0.08 0.00 -0.52 0.00 0.00 37.83 34.36 1cyu s LYS 63 CO 0.41 0.66 0.71 -0.47 -0.92 0.00 0.00 175.35 175.74 1cyu s TYR 64 N -1.37 -0.99 0.01 3.18 5.04 -1.26 -2.77 117.35 119.19 1cyu s TYR 64 Ca 0.29 2.04 0.00 0.00 -2.44 0.00 0.00 57.07 56.96 1cyu s TYR 64 Cb -0.13 0.55 -0.00 0.00 0.35 0.00 0.00 41.96 42.74 1cyu s TYR 64 CO 0.21 -0.49 0.00 1.28 -1.34 0.00 0.00 175.55 175.22 1cyu n LEU 65 N 3.97 0.00 -3.56 6.97 4.32 -1.18 -3.47 117.00 124.05 1cyu n LEU 65 Ca -0.19 -0.08 -0.09 0.00 -0.02 0.00 0.00 56.01 55.63 1cyu n LEU 65 Cb 0.58 0.02 -0.04 0.00 -1.62 0.00 0.00 43.42 42.36 1cyu n LEU 65 CO -0.01 -0.01 0.79 -2.28 -1.22 0.00 0.00 177.39 174.66 1cyu s HIS 66 N -1.33 -0.32 0.19 -1.77 2.46 -1.19 -2.86 115.29 110.48 1cyu s HIS 66 Ca 0.00 0.42 -0.14 0.00 0.47 0.00 0.00 55.06 55.81 1cyu s HIS 66 Cb 0.00 0.49 0.01 0.00 -0.13 0.00 0.00 32.58 32.95 1cyu s HIS 66 CO 0.00 -0.38 0.44 -1.17 -2.47 0.00 0.00 174.74 171.16 1cyu s LEU 67 N -1.66 0.41 -0.29 8.88 2.96 0.12 0.11 118.68 129.21 1cyu s LEU 67 Ca 0.02 -0.68 -0.04 0.00 -0.22 0.00 0.00 54.13 53.21 1cyu s LEU 67 Cb -0.01 1.77 0.10 0.00 0.50 0.00 0.00 46.19 48.56 1cyu s LEU 67 CO -0.03 -1.02 0.13 -0.75 -1.32 0.00 0.00 176.35 173.37 1cyu s LYS 68 N -3.93 0.22 0.02 1.98 2.36 -1.16 -0.61 119.74 118.63 1cyu s LYS 68 Ca 0.14 -0.58 -0.27 0.00 -2.55 0.00 0.00 55.97 52.71 1cyu s LYS 68 Cb 0.00 -1.19 -0.04 0.00 -1.05 0.00 0.00 37.83 35.55 1cyu s LYS 68 CO 0.00 -1.03 0.84 0.08 1.55 0.00 0.00 175.35 176.80 1cyu s VAL 69 N 2.04 4.80 -0.04 4.02 1.01 0.17 -3.28 120.40 129.12 1cyu s VAL 69 Ca 0.09 1.78 -0.01 0.00 0.00 0.00 0.00 61.98 63.84 1cyu s VAL 69 Cb -0.16 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 32.06 1cyu s VAL 69 CO -0.35 0.27 0.03 0.12 0.00 0.00 0.00 175.10 175.18 1cyu s PHE 70 N 0.44 0.21 -1.19 5.22 5.36 0.11 0.60 117.98 128.72 1cyu s PHE 70 Ca 0.43 0.12 -0.09 0.00 -0.96 0.00 0.00 56.93 56.44 1cyu s PHE 70 Cb -0.20 -0.49 0.22 0.00 -0.34 0.00 0.00 43.02 42.21 1cyu s PHE 70 CO 0.24 -0.19 1.59 1.63 -1.46 0.00 0.00 175.22 177.03 1cyu n LYS 71 N 4.90 3.82 -1.40 10.12 5.02 -1.17 -0.33 118.16 139.12 1cyu n LYS 71 Ca -0.12 -4.00 -0.56 0.00 -2.02 0.00 0.00 58.31 51.61 1cyu n LYS 71 Cb 0.50 -2.78 -0.09 0.00 -0.02 0.00 0.00 35.03 32.64 1cyu n LYS 71 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1cyu n SER 72 N 3.29 1.53 -2.91 4.39 7.64 -1.26 -4.23 113.62 122.08 1cyu n SER 72 Ca 0.33 0.63 -0.13 0.00 1.01 0.00 0.00 58.87 60.72 1cyu n SER 72 Cb 0.37 -1.08 0.04 0.00 -1.01 0.00 0.00 64.21 62.53 1cyu n SER 72 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1cyu n LEU 73 N 8.13 -1.06 -1.99 -3.43 0.00 -0.64 -3.88 117.00 114.13 1cyu n LEU 73 Ca 0.45 -4.23 -0.12 0.00 0.00 0.00 0.00 56.01 52.11 1cyu n LEU 73 Cb 0.09 0.84 -0.13 0.00 0.00 0.00 0.00 43.42 44.23 1cyu n LEU 73 CO 0.82 2.16 1.52 -0.81 0.00 0.00 0.00 177.39 181.08 1cyu n PRO 74 N 0.32 1.90 0.00 1.96 -0.04 0.42 -3.56 135.00 136.00 1cyu n PRO 74 Ca 0.14 -1.04 0.00 0.00 -0.04 0.00 0.00 63.50 62.56 1cyu n PRO 74 Cb 0.69 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1cyu n PRO 74 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cyu n GLY 75 N 2.10 3.18 0.09 0.55 0.00 -1.26 -4.76 105.19 105.09 1cyu n GLY 75 Ca 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.33 1cyu n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cyu n GLN 76 N -1.98 0.66 -3.04 1.61 7.27 -1.26 -5.04 117.38 115.60 1cyu n GLN 76 Ca 0.00 0.09 -0.04 0.00 0.07 0.00 0.00 57.00 57.12 1cyu n GLN 76 Cb 0.00 -1.64 0.00 0.00 2.41 0.00 0.00 30.24 31.01 1cyu n GLN 76 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1cyu n ASN 77 N -2.81 -7.07 -3.28 1.69 4.05 -1.26 -4.98 115.26 101.60 1cyu n ASN 77 Ca -0.22 0.72 -0.19 0.00 0.45 0.00 0.00 54.58 55.34 1cyu n ASN 77 Cb 1.03 -3.13 -0.07 0.00 1.23 0.00 0.00 39.78 38.84 1cyu n ASN 77 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1cyu s GLU 78 N -1.45 0.80 0.40 1.20 0.41 -1.25 -5.06 118.70 113.74 1cyu s GLU 78 Ca 0.05 -1.36 0.00 0.00 -0.41 0.00 0.00 54.97 53.25 1cyu s GLU 78 Cb -0.01 -0.89 0.00 0.00 -1.78 0.00 0.00 34.13 31.45 1cyu s GLU 78 CO 0.40 -1.29 0.00 -3.47 -0.49 0.00 0.00 175.26 170.41 1cyu n ASP 79 N 3.53 -6.04 -0.24 -0.19 2.03 -1.26 -4.97 116.55 109.41 1cyu n ASP 79 Ca 0.19 0.88 0.00 0.00 0.52 0.00 0.00 54.79 56.38 1cyu n ASP 79 Cb 0.47 -3.48 0.00 0.00 -0.72 0.00 0.00 41.12 37.40 1cyu n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cyu n LEU 80 N -3.77 0.00 -3.63 -2.67 -0.00 -1.26 -4.11 117.00 101.56 1cyu n LEU 80 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.93 1cyu n LEU 80 Cb 0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.87 1cyu n LEU 80 CO 0.02 0.00 1.09 -0.69 -0.00 0.00 0.00 177.39 177.81 1cyu s VAL 81 N 3.13 0.00 -0.41 1.47 1.01 0.56 -4.53 120.40 121.63 1cyu s VAL 81 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1cyu s VAL 81 Cb 0.00 -1.00 0.20 0.00 0.00 0.00 0.00 36.38 35.58 1cyu s VAL 81 CO 0.00 0.00 0.41 0.18 0.00 0.00 0.00 175.10 175.69 1cyu n LEU 82 N 0.45 -0.23 0.00 3.92 4.32 -1.26 -0.72 117.00 123.48 1cyu n LEU 82 Ca -0.01 -4.49 0.00 0.00 -0.02 0.00 0.00 56.01 51.49 1cyu n LEU 82 Cb 0.58 0.57 0.00 0.00 -1.62 0.00 0.00 43.42 42.96 1cyu n LEU 82 CO 0.09 1.94 0.48 0.41 -1.22 0.00 0.00 177.39 179.08 1cyu n THR 83 N 2.32 1.70 -4.25 -5.08 -1.04 -1.24 -4.48 114.28 102.20 1cyu n THR 83 Ca 0.27 0.46 -0.31 0.00 -2.04 0.00 0.00 64.05 62.42 1cyu n THR 83 Cb 0.50 -1.46 -0.09 0.00 -1.82 0.00 0.00 70.33 67.46 1cyu n THR 83 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1cyu s GLY 84 N -2.84 1.87 0.00 3.41 0.00 -1.21 -4.80 107.32 103.75 1cyu s GLY 84 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1cyu s GLY 84 CO 0.00 -0.95 0.00 1.58 0.00 0.00 0.00 173.10 173.73 1cyu n TYR 85 N 1.09 0.00 -3.46 1.90 0.18 -1.14 -2.97 117.16 112.76 1cyu n TYR 85 Ca -0.13 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.54 1cyu n TYR 85 Cb 0.52 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.46 1cyu n TYR 85 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1cyu s GLN 86 N 0.00 1.09 0.00 -3.48 -1.52 0.30 -4.87 119.66 111.18 1cyu s GLN 86 Ca 0.00 -0.37 0.00 0.00 -1.95 0.00 0.00 55.36 53.04 1cyu s GLN 86 Cb 0.00 0.50 0.00 0.00 -0.22 0.00 0.00 33.01 33.29 1cyu s GLN 86 CO 0.00 -0.47 0.00 1.55 -0.25 0.00 0.00 175.29 176.12 1cyu n VAL 87 N -0.26 0.00 -0.88 1.09 3.14 -1.26 -3.15 118.33 117.01 1cyu n VAL 87 Ca -0.14 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 1cyu n VAL 87 Cb 0.63 -0.99 0.00 0.00 -1.06 0.00 0.00 33.84 32.42 1cyu n VAL 87 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1cyu n ASP 88 N -0.42 0.00 -0.80 6.55 5.75 -1.25 -3.53 116.55 122.85 1cyu n ASP 88 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1cyu n ASP 88 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1cyu n ASP 88 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1cyu n LYS 89 N 0.00 0.00 -2.81 0.11 3.00 -1.26 -4.02 118.16 113.17 1cyu n LYS 89 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 1cyu n LYS 89 Cb 0.00 -1.34 -0.01 0.00 0.00 0.00 0.00 35.03 33.67 1cyu n LYS 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1cyu n ASN 90 N -0.80 -1.11 -0.12 3.14 0.23 -0.15 -4.70 115.26 111.75 1cyu n ASN 90 Ca 0.00 0.16 -0.23 0.00 -0.53 0.00 0.00 54.58 53.98 1cyu n ASN 90 Cb 0.33 -1.07 -0.08 0.00 -2.08 0.00 0.00 39.78 36.88 1cyu n ASN 90 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1cyu n LYS 91 N -2.69 0.53 0.00 -3.83 5.02 -1.26 -4.30 118.16 111.64 1cyu n LYS 91 Ca 0.02 0.23 0.06 0.00 -2.02 0.00 0.00 58.31 56.60 1cyu n LYS 91 Cb 0.47 -1.41 0.37 0.00 -0.02 0.00 0.00 35.03 34.44 1cyu n LYS 91 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1cyu n ASP 92 N -4.22 0.00 -4.58 4.39 -0.08 -1.23 -4.88 116.55 105.96 1cyu n ASP 92 Ca -0.42 -1.40 -0.58 0.00 -1.51 0.00 0.00 54.79 50.89 1cyu n ASP 92 Cb 0.77 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 44.15 1cyu n ASP 92 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1cyu n ASP 93 N -0.72 0.91 -3.68 1.67 2.03 -1.26 -4.82 116.55 110.68 1cyu n ASP 93 Ca 0.09 1.14 -0.15 0.00 0.52 0.00 0.00 54.79 56.40 1cyu n ASP 93 Cb 0.04 -1.03 -0.08 0.00 -0.72 0.00 0.00 41.12 39.34 1cyu n ASP 93 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1cyu s GLU 94 N 0.84 0.80 0.55 -0.67 2.02 -1.26 -5.13 118.70 115.85 1cyu s GLU 94 Ca 0.91 -0.04 -0.09 0.00 0.02 0.00 0.00 54.97 55.77 1cyu s GLU 94 Cb -1.17 0.36 -0.04 0.00 0.10 0.00 0.00 34.13 33.38 1cyu s GLU 94 CO 0.57 -0.23 0.92 -0.51 0.02 0.00 0.00 175.26 176.03 1cyu s LEU 95 N -1.28 3.44 0.13 1.80 2.01 -1.26 -5.09 118.68 118.43 1cyu s LEU 95 Ca -0.13 1.23 -0.01 0.00 0.01 0.00 0.00 54.13 55.24 1cyu s LEU 95 Cb -0.03 -4.23 -0.04 0.00 0.01 0.00 0.00 46.19 41.89 1cyu s LEU 95 CO 0.06 -0.72 0.06 0.42 1.01 0.00 0.00 176.35 177.18 1cyu s THR 96 N -2.94 0.11 -0.43 5.49 -4.23 -1.26 -4.77 115.64 107.61 1cyu s THR 96 Ca 0.52 -1.92 0.10 0.00 -1.18 0.00 0.00 61.69 59.22 1cyu s THR 96 Cb -0.11 -2.07 -0.12 0.00 1.34 0.00 0.00 72.50 71.55 1cyu s THR 96 CO 0.48 -0.44 0.41 0.61 -0.54 0.00 0.00 174.62 175.14 1cyu n GLY 97 N -0.11 -0.01 3.88 3.99 0.00 -1.26 -5.09 105.19 106.59 1cyu n GLY 97 Ca -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1cyu n GLY 97 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01