#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cyu h ILE 2 N 0.00 0.87 -3.63 2.02 2.10 -2.03 -3.47 117.51 113.37 1cyu h ILE 2 Ca 0.00 -2.71 -0.51 0.00 1.08 0.00 0.00 64.86 62.73 1cyu h ILE 2 Cb 0.00 2.45 -0.01 0.00 -1.09 0.00 0.00 36.82 38.17 1cyu h ILE 2 CO 0.00 0.54 0.40 -2.16 -1.08 0.00 0.00 178.15 175.85 1cyu s PRO 3 N -2.60 4.71 -0.65 2.19 0.04 -1.26 -3.95 135.00 133.48 1cyu s PRO 3 Ca -0.06 1.55 -0.04 0.00 0.04 0.00 0.00 61.00 62.50 1cyu s PRO 3 Cb 0.08 -3.31 0.10 0.00 0.04 0.00 0.00 34.50 31.40 1cyu s PRO 3 CO 0.82 0.25 2.63 0.41 0.04 0.00 0.00 177.00 181.16 1cyu n GLY 4 N 1.94 4.63 2.88 0.56 0.00 -1.26 -4.66 105.19 109.27 1cyu n GLY 4 Ca 0.01 -1.98 -0.20 0.00 0.00 0.00 0.00 46.02 43.86 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 0.90 -0.37 0.00 -0.02 0.00 -1.26 -4.65 105.19 99.79 1cyu n GLY 5 Ca 0.52 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1cyu n GLY 5 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1cyu n LEU 6 N -3.61 0.00 0.00 0.99 -0.00 -1.26 -3.88 117.00 109.24 1cyu n LEU 6 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 1cyu n LEU 6 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1cyu n LEU 6 CO 0.42 -0.95 0.00 -1.20 -0.00 0.00 0.00 177.39 175.66 1cyu n SER 7 N -2.41 0.00 -4.45 1.45 7.64 -1.26 -4.18 113.62 110.41 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 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 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 4.01 0.00 1.43 2.02 -1.26 -4.91 118.70 119.99 1cyu s GLU 8 Ca 0.00 -2.51 0.00 0.00 0.02 0.00 0.00 54.97 52.48 1cyu s GLU 8 Cb 0.00 -4.97 0.00 0.00 0.10 0.00 0.00 34.13 29.26 1cyu s GLU 8 CO 0.00 -1.70 0.00 0.00 0.02 0.00 0.00 175.26 173.58 1cyu n ALA 9 N 5.44 0.00 -2.33 5.21 0.00 -1.25 -1.23 120.51 126.35 1cyu n ALA 9 Ca 0.33 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.60 1cyu n ALA 9 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.78 1cyu n ALA 9 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1cyu s LYS 10 N -2.00 1.33 -0.45 0.00 3.01 -1.15 -4.91 119.74 115.57 1cyu s LYS 10 Ca 0.00 -1.68 -0.29 0.00 -1.01 0.00 0.00 55.97 52.99 1cyu s LYS 10 Cb 0.00 -0.59 0.02 0.00 -1.01 0.00 0.00 37.83 36.25 1cyu s LYS 10 CO 0.00 -0.11 1.23 -1.25 0.51 0.00 0.00 175.35 175.73 1cyu s PRO 11 N -3.87 3.68 0.00 -1.68 0.04 -1.26 -1.98 135.00 129.92 1cyu s PRO 11 Ca 0.29 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1cyu s PRO 11 Cb 0.06 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1cyu s PRO 11 CO 0.09 -1.44 0.00 0.00 0.04 0.00 0.00 177.00 175.69 1cyu n ALA 12 N 8.16 -1.01 -1.63 8.56 0.00 -0.71 -4.82 120.51 129.06 1cyu n ALA 12 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.29 1cyu n ALA 12 Cb 0.49 -0.23 0.13 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.01 1.99 -1.38 0.00 -4.23 -1.26 -4.77 115.64 105.98 1cyu s THR 13 Ca 0.00 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 60.72 1cyu s THR 13 Cb 0.00 -2.82 0.34 0.00 1.34 0.00 0.00 72.50 71.36 1cyu s THR 13 CO 0.00 0.00 1.66 -0.81 -0.54 0.00 0.00 174.62 174.93 1cyu n PRO 14 N -3.69 0.26 -0.07 3.99 -0.04 -1.26 -1.44 135.00 132.75 1cyu n PRO 14 Ca 0.08 0.10 -0.08 0.00 -0.04 0.00 0.00 63.50 63.56 1cyu n PRO 14 Cb 0.60 -1.50 -0.03 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 0.45 -0.21 0.54 2.13 -1.26 -4.21 120.64 116.77 1cyu n GLU 15 Ca 0.09 0.18 0.01 0.00 0.66 0.00 0.00 57.16 58.10 1cyu n GLU 15 Cb 0.18 -1.28 0.12 0.00 0.27 0.00 0.00 31.44 30.72 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 -0.85 0.73 -0.55 6.31 1.08 -1.92 0.12 117.51 122.44 1cyu h ILE 16 Ca 0.00 -0.13 0.11 0.00 -0.39 0.00 0.00 64.86 64.44 1cyu h ILE 16 Cb 0.85 0.31 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 1cyu h ILE 16 CO 0.00 0.07 0.37 0.06 -0.69 0.00 0.00 178.15 177.96 1cyu h GLN 17 N 0.39 0.28 -0.88 2.37 3.07 -1.49 0.87 115.11 119.72 1cyu h GLN 17 Ca 0.32 -0.02 0.09 0.00 0.09 0.00 0.00 58.65 59.14 1cyu h GLN 17 Cb 0.43 -0.06 -0.06 0.00 0.08 0.00 0.00 27.48 27.86 1cyu h GLN 17 CO -0.34 0.19 0.57 1.49 0.09 0.00 0.00 178.83 180.83 1cyu h GLU 18 N 0.29 0.86 -0.56 0.06 4.81 -0.92 0.13 114.58 119.26 1cyu h GLU 18 Ca 0.26 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1cyu h GLU 18 Cb 0.62 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1cyu h GLU 18 CO -0.06 0.57 0.14 0.97 -0.73 0.00 0.00 179.01 179.90 1cyu h ILE 19 N 0.89 1.23 0.00 2.32 -0.00 -0.83 -0.87 117.51 120.25 1cyu h ILE 19 Ca 0.40 -0.82 0.00 0.00 -0.00 0.00 0.00 64.86 64.44 1cyu h ILE 19 Cb 0.37 0.65 0.00 0.00 -0.00 0.00 0.00 36.82 37.84 1cyu h ILE 19 CO -0.17 0.31 0.08 0.58 -0.00 0.00 0.00 178.15 178.95 1cyu h VAL 20 N 0.83 0.00 0.00 2.19 2.07 -0.61 0.15 116.25 120.88 1cyu h VAL 20 Ca 0.18 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 1cyu h VAL 20 Cb 0.30 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1cyu h VAL 20 CO -0.00 0.00 -1.95 -0.67 0.02 0.00 0.00 177.57 174.97 1cyu n ASP 21 N -2.81 0.29 0.00 0.57 2.03 -0.40 -3.20 116.55 113.03 1cyu n ASP 21 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1cyu n ASP 21 Cb 0.14 1.93 0.00 0.00 -0.72 0.00 0.00 41.12 42.46 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 -2.22 0.00 0.00 -0.67 3.00 0.48 -2.92 118.16 115.83 1cyu n LYS 22 Ca -0.04 0.24 0.14 0.00 -0.00 0.00 0.00 58.31 58.65 1cyu n LYS 22 Cb 0.55 -0.81 0.68 0.00 0.00 0.00 0.00 35.03 35.45 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 -1.21 0.00 -2.77 3.15 0.31 -0.92 -3.78 118.33 113.11 1cyu n VAL 23 Ca 0.00 -0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.11 1cyu n VAL 23 Cb 0.00 -0.46 -0.01 0.00 -0.91 0.00 0.00 33.84 32.46 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 -1.36 2.43 0.00 5.55 4.01 -1.19 -4.84 118.16 122.75 1cyu n LYS 24 Ca 0.11 -4.12 0.09 0.00 -0.51 0.00 0.00 58.31 53.88 1cyu n LYS 24 Cb 0.29 -1.92 0.51 0.00 -0.51 0.00 0.00 35.03 33.39 1cyu n LYS 24 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1cyu n PRO 25 N -0.19 0.65 0.00 1.97 -0.04 -1.15 -1.56 135.00 134.69 1cyu n PRO 25 Ca 0.28 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1cyu n PRO 25 Cb 0.62 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.91 0.00 0.27 0.54 1.13 -1.26 -4.40 117.38 112.74 1cyu n GLN 26 Ca 0.13 0.00 0.17 0.00 -1.94 0.00 0.00 57.00 55.36 1cyu n GLN 26 Cb 0.06 -0.64 0.92 0.00 0.11 0.00 0.00 30.24 30.69 1cyu n GLN 26 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1cyu h LEU 27 N 0.00 0.00 0.00 1.08 -0.00 -1.85 -0.84 115.31 113.69 1cyu h LEU 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1cyu h LEU 27 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.59 1cyu h LEU 27 CO 0.00 0.00 -1.23 1.21 -0.00 0.00 0.00 178.44 178.42 1cyu n GLU 28 N -2.71 0.50 -2.87 1.13 0.00 -0.60 -4.45 120.64 111.65 1cyu n GLU 28 Ca -0.02 0.01 -0.12 0.00 0.00 0.00 0.00 57.16 57.02 1cyu n GLU 28 Cb 0.10 -1.68 0.02 0.00 0.00 0.00 0.00 31.44 29.88 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 -2.33 1.07 0.12 5.31 0.28 -0.37 -4.59 120.64 120.13 1cyu n GLU 29 Ca -0.00 -3.06 0.00 0.00 -0.16 0.00 0.00 57.16 53.94 1cyu n GLU 29 Cb 0.51 -1.29 0.00 0.00 1.43 0.00 0.00 31.44 32.09 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 0.06 0.00 -0.30 3.44 4.81 -0.93 -4.78 118.16 120.46 1cyu n LYS 30 Ca 0.14 0.00 0.35 0.00 -0.87 0.00 0.00 58.31 57.93 1cyu n LYS 30 Cb 0.75 0.00 0.70 0.00 0.02 0.00 0.00 35.03 36.51 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 0.00 0.25 -6.79 3.15 1.03 -1.77 -3.42 112.91 105.36 1cyu h THR 31 Ca 0.00 0.00 -0.56 0.00 -0.01 0.00 0.00 66.41 65.84 1cyu h THR 31 Cb 0.00 0.30 -0.33 0.00 -1.07 0.00 0.00 68.15 67.04 1cyu h THR 31 CO 0.00 0.00 -0.82 -0.46 -0.01 0.00 0.00 175.52 174.23 1cyu n ASN 32 N -3.87 -1.40 -4.48 0.00 0.23 -1.26 -4.82 115.26 99.66 1cyu n ASN 32 Ca 0.25 -1.12 -0.32 0.00 -0.53 0.00 0.00 54.58 52.87 1cyu n ASN 32 Cb 1.34 -1.43 0.17 0.00 -2.08 0.00 0.00 39.78 37.77 1cyu n ASN 32 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1cyu n GLU 33 N -3.74 -0.90 -0.80 -3.83 4.07 -1.26 -4.84 120.64 109.33 1cyu n GLU 33 Ca 0.07 -0.22 -0.16 0.00 -0.06 0.00 0.00 57.16 56.79 1cyu n GLU 33 Cb 0.43 -2.04 0.09 0.00 -0.06 0.00 0.00 31.44 29.86 1cyu n GLU 33 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 1cyu n THR 34 N -4.16 2.49 -2.10 6.31 5.66 -1.26 -4.85 114.28 116.37 1cyu n THR 34 Ca 0.07 -1.36 0.00 0.00 -3.05 0.00 0.00 64.05 59.71 1cyu n THR 34 Cb 0.54 -0.84 0.00 0.00 -1.55 0.00 0.00 70.33 68.49 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 -0.36 0.00 -3.44 1.09 4.01 -1.26 -5.07 117.16 112.13 1cyu n TYR 35 Ca 0.37 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.73 1cyu n TYR 35 Cb 1.06 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.04 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 4.42 1.28 2.72 0.00 -1.26 -4.68 105.19 107.67 1cyu n GLY 36 Ca 0.00 -2.63 0.04 0.00 0.00 0.00 0.00 46.02 43.43 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 1.99 0.42 -2.73 1.61 5.02 -1.26 -4.86 118.16 118.35 1cyu n LYS 37 Ca 0.24 -2.35 -0.32 0.00 -2.02 0.00 0.00 58.31 53.86 1cyu n LYS 37 Cb 0.37 -0.43 -0.01 0.00 -0.02 0.00 0.00 35.03 34.94 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 0.08 5.63 0.00 -0.35 7.99 -1.26 0.44 117.00 129.52 1cyu n LEU 38 Ca 0.09 -5.49 0.00 0.00 -0.01 0.00 0.00 56.01 50.61 1cyu n LEU 38 Cb 1.03 -0.77 0.00 0.00 -0.11 0.00 0.00 43.42 43.57 1cyu n LEU 38 CO -0.04 2.21 0.00 1.21 -1.51 0.00 0.00 177.39 179.26 1cyu n GLU 39 N -0.24 0.00 -1.26 3.23 4.07 -1.05 -4.82 120.64 120.57 1cyu n GLU 39 Ca 0.38 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 57.17 1cyu n GLU 39 Cb 0.37 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 31.85 1cyu n GLU 39 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1cyu s ALA 40 N -1.00 2.12 -0.23 4.31 0.00 -1.26 -0.37 121.76 125.33 1cyu s ALA 40 Ca 0.00 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.44 1cyu s ALA 40 Cb 0.00 -3.34 -0.19 0.00 0.00 0.00 0.00 23.12 19.59 1cyu s ALA 40 CO 0.00 -1.89 -0.11 1.55 0.00 0.00 0.00 175.76 175.31 1cyu n VAL 41 N -3.36 1.52 0.00 0.00 3.14 -0.05 -3.85 118.33 115.72 1cyu n VAL 41 Ca 0.10 -0.62 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 1cyu n VAL 41 Cb 0.52 -1.35 0.00 0.00 -1.06 0.00 0.00 33.84 31.95 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 -3.23 0.00 -3.63 1.45 0.00 -0.29 -1.73 117.38 109.96 1cyu n GLN 42 Ca -0.42 0.00 -0.18 0.00 -0.00 0.00 0.00 57.00 56.40 1cyu n GLN 42 Cb 1.02 0.00 -0.15 0.00 0.00 0.00 0.00 30.24 31.10 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 -0.16 0.39 3.69 1.13 -0.84 -1.10 117.35 118.47 1cyu s TYR 43 Ca 0.00 0.45 -0.03 0.00 -1.41 0.00 0.00 57.07 56.07 1cyu s TYR 43 Cb 0.00 -0.32 -0.04 0.00 -1.10 0.00 0.00 41.96 40.50 1cyu s TYR 43 CO 0.00 -0.35 0.65 0.21 -2.51 0.00 0.00 175.55 173.55 1cyu s LYS 44 N 2.28 3.55 -0.07 -3.49 2.20 -0.26 -2.92 119.74 121.03 1cyu s LYS 44 Ca 0.04 -0.03 0.02 0.00 -0.36 0.00 0.00 55.97 55.64 1cyu s LYS 44 Cb -0.13 -2.53 0.01 0.00 -1.51 0.00 0.00 37.83 33.67 1cyu s LYS 44 CO -0.07 0.01 -0.13 0.95 -0.36 0.00 0.00 175.35 175.75 1cyu s THR 45 N -2.45 1.22 -0.23 3.43 -4.23 -0.36 -1.84 115.64 111.18 1cyu s THR 45 Ca 0.44 -0.53 -0.11 0.00 -1.18 0.00 0.00 61.69 60.32 1cyu s THR 45 Cb -0.10 -1.11 0.08 0.00 1.34 0.00 0.00 72.50 72.71 1cyu s THR 45 CO 0.38 0.37 0.53 0.00 -0.54 0.00 0.00 174.62 175.37 1cyu s GLN 46 N 0.66 0.50 0.00 3.99 -2.07 -1.03 -4.87 119.66 116.84 1cyu s GLN 46 Ca -0.15 1.06 0.00 0.00 -1.82 0.00 0.00 55.36 54.45 1cyu s GLN 46 Cb -0.16 0.21 0.00 0.00 -1.09 0.00 0.00 33.01 31.98 1cyu s GLN 46 CO 0.04 -0.18 0.00 1.33 -1.32 0.00 0.00 175.29 175.16 1cyu n VAL 47 N 4.66 0.00 0.00 3.63 0.24 -1.26 0.15 118.33 125.75 1cyu n VAL 47 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1cyu n VAL 47 Cb 0.54 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 1cyu n VAL 47 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1cyu n VAL 48 N -0.68 0.00 0.00 3.34 3.14 -1.26 -3.22 118.33 119.65 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 0.71 0.00 0.00 0.00 -1.25 -0.26 105.19 104.39 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 -2.56 2.61 -1.04 -1.26 -4.47 114.28 107.56 1cyu n THR 51 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 1cyu n THR 51 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 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 6.38 -0.04 8.00 3.84 0.12 -3.14 114.94 130.10 1cyu s ASN 52 Ca 0.00 1.92 0.01 0.00 0.21 0.00 0.00 52.86 55.00 1cyu s ASN 52 Cb 0.00 -2.56 0.02 0.00 -0.55 0.00 0.00 41.25 38.16 1cyu s ASN 52 CO 0.00 -0.75 -0.04 -0.31 -2.79 0.00 0.00 177.10 173.20 1cyu s TYR 53 N -1.98 0.71 -0.67 0.43 2.02 0.28 -2.47 117.35 115.67 1cyu s TYR 53 Ca 0.67 -0.19 -0.07 0.00 -0.37 0.00 0.00 57.07 57.11 1cyu s TYR 53 Cb -0.16 -0.63 0.17 0.00 -0.40 0.00 0.00 41.96 40.94 1cyu s TYR 53 CO 0.20 -0.18 0.53 -0.47 -1.57 0.00 0.00 175.55 174.06 1cyu s TYR 54 N 0.87 3.53 -0.84 2.71 5.04 -0.76 -0.56 117.35 127.33 1cyu s TYR 54 Ca -0.12 -2.37 -0.16 0.00 -2.44 0.00 0.00 57.07 51.99 1cyu s TYR 54 Cb -0.14 -3.44 0.18 0.00 0.35 0.00 0.00 41.96 38.90 1cyu s TYR 54 CO 0.00 -0.91 0.89 0.42 -1.34 0.00 0.00 175.55 174.61 1cyu s ILE 55 N 0.21 5.23 -0.35 3.14 -1.09 0.11 -1.10 121.20 127.36 1cyu s ILE 55 Ca 0.16 -2.02 -0.28 0.00 -2.23 0.00 0.00 60.65 56.27 1cyu s ILE 55 Cb -0.18 -4.58 0.02 0.00 -1.58 0.00 0.00 42.46 36.14 1cyu s ILE 55 CO -0.05 -1.21 1.05 -0.75 -1.23 0.00 0.00 174.94 172.76 1cyu s LYS 56 N 1.29 3.99 0.14 2.79 2.20 -0.26 0.33 119.74 130.21 1cyu s LYS 56 Ca 0.23 0.92 -0.13 0.00 -0.36 0.00 0.00 55.97 56.62 1cyu s LYS 56 Cb -0.10 -3.77 -0.07 0.00 -1.51 0.00 0.00 37.83 32.39 1cyu s LYS 56 CO -0.08 -0.96 0.52 0.54 -0.36 0.00 0.00 175.35 175.01 1cyu s VAL 57 N 3.71 4.91 -0.10 4.02 0.11 -1.00 -0.87 120.40 131.18 1cyu s VAL 57 Ca 0.44 0.73 -0.11 0.00 -2.93 0.00 0.00 61.98 60.11 1cyu s VAL 57 Cb -0.12 -3.71 -0.05 0.00 -1.53 0.00 0.00 36.38 30.98 1cyu s VAL 57 CO 0.18 0.23 0.26 -0.60 -3.33 0.00 0.00 175.10 171.84 1cyu s ARG 58 N -2.00 3.82 -0.07 1.54 3.52 0.51 -1.69 118.95 124.59 1cyu s ARG 58 Ca 0.37 0.09 0.13 0.00 -0.13 0.00 0.00 55.73 56.19 1cyu s ARG 58 Cb -0.15 -3.27 0.25 0.00 -1.56 0.00 0.00 34.95 30.22 1cyu s ARG 58 CO 0.19 0.60 1.12 0.00 -0.81 0.00 0.00 175.30 176.40 1cyu n ALA 59 N 2.39 2.44 0.00 6.12 0.00 -1.15 -2.53 120.51 127.78 1cyu n ALA 59 Ca -0.16 -2.13 0.00 0.00 0.00 0.00 0.00 53.44 51.15 1cyu n ALA 59 Cb 0.53 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.43 0.19 0.01 0.00 0.00 1.51 -3.88 105.19 102.59 1cyu n GLY 60 Ca 0.09 -2.30 0.14 0.00 0.00 0.00 0.00 46.02 43.95 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 0.04 -0.03 1.61 2.03 -1.26 -3.78 116.55 115.16 1cyu n ASP 61 Ca 0.00 0.07 -0.04 0.00 0.52 0.00 0.00 54.79 55.34 1cyu n ASP 61 Cb 0.00 -0.34 -0.04 0.00 -0.72 0.00 0.00 41.12 40.02 1cyu n ASP 61 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1cyu n ASN 62 N -1.35 3.51 -4.88 1.67 0.23 -1.26 -5.01 115.26 108.16 1cyu n ASN 62 Ca 0.11 -0.02 -0.30 0.00 -0.53 0.00 0.00 54.58 53.84 1cyu n ASN 62 Cb 0.28 0.24 -0.04 0.00 -2.08 0.00 0.00 39.78 38.18 1cyu n ASN 62 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1cyu s LYS 63 N -2.14 3.75 -0.34 -3.83 1.02 -1.24 -3.48 119.74 113.48 1cyu s LYS 63 Ca -0.07 0.26 0.03 0.00 0.02 0.00 0.00 55.97 56.21 1cyu s LYS 63 Cb 0.02 -2.56 0.19 0.00 -0.52 0.00 0.00 37.83 34.96 1cyu s LYS 63 CO 0.20 0.17 0.70 -0.47 -0.92 0.00 0.00 175.35 175.03 1cyu s TYR 64 N -2.07 -1.53 0.24 3.18 6.14 -1.26 -3.19 117.35 118.85 1cyu s TYR 64 Ca 0.48 0.61 0.00 0.00 0.64 0.00 0.00 57.07 58.80 1cyu s TYR 64 Cb -0.11 0.27 0.05 0.00 0.42 0.00 0.00 41.96 42.59 1cyu s TYR 64 CO 0.27 -0.95 0.32 1.28 0.64 0.00 0.00 175.55 177.11 1cyu n LEU 65 N 4.88 0.00 -3.50 6.97 4.32 -0.68 -4.03 117.00 124.96 1cyu n LEU 65 Ca 0.08 -0.71 -0.12 0.00 -0.02 0.00 0.00 56.01 55.23 1cyu n LEU 65 Cb 0.56 -0.21 -0.04 0.00 -1.62 0.00 0.00 43.42 42.12 1cyu n LEU 65 CO -0.05 -0.65 0.57 -2.28 -1.22 0.00 0.00 177.39 173.76 1cyu s HIS 66 N -0.79 -0.48 0.19 -1.77 2.46 -1.19 -2.38 115.29 111.32 1cyu s HIS 66 Ca 0.22 0.57 -0.16 0.00 0.47 0.00 0.00 55.06 56.15 1cyu s HIS 66 Cb -0.01 0.49 0.02 0.00 -0.13 0.00 0.00 32.58 32.95 1cyu s HIS 66 CO 0.14 -0.59 0.48 -1.17 -2.47 0.00 0.00 174.74 171.13 1cyu s LEU 67 N -1.93 0.22 -0.30 8.88 2.96 0.15 -0.93 118.68 127.73 1cyu s LEU 67 Ca -0.02 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1cyu s LEU 67 Cb -0.01 1.99 0.11 0.00 0.50 0.00 0.00 46.19 48.79 1cyu s LEU 67 CO -0.03 -1.02 0.18 -0.75 -1.32 0.00 0.00 176.35 173.41 1cyu s LYS 68 N -3.88 0.28 0.05 1.98 2.36 -1.04 0.08 119.74 119.58 1cyu s LYS 68 Ca 0.10 -0.62 -0.28 0.00 -2.55 0.00 0.00 55.97 52.62 1cyu s LYS 68 Cb -0.00 -1.10 -0.05 0.00 -1.05 0.00 0.00 37.83 35.63 1cyu s LYS 68 CO -0.03 -1.06 0.90 0.08 1.55 0.00 0.00 175.35 176.79 1cyu s VAL 69 N 1.94 4.69 -0.06 4.02 1.01 0.28 -3.30 120.40 128.99 1cyu s VAL 69 Ca 0.11 1.92 -0.02 0.00 0.00 0.00 0.00 61.98 63.99 1cyu s VAL 69 Cb -0.17 -4.26 0.03 0.00 0.00 0.00 0.00 36.38 31.99 1cyu s VAL 69 CO -0.29 0.28 0.03 0.12 0.00 0.00 0.00 175.10 175.25 1cyu s PHE 70 N 0.31 0.34 -1.31 5.22 5.36 0.29 0.99 117.98 129.19 1cyu s PHE 70 Ca 0.46 0.05 -0.07 0.00 -0.96 0.00 0.00 56.93 56.41 1cyu s PHE 70 Cb -0.22 -0.63 0.14 0.00 -0.34 0.00 0.00 43.02 41.97 1cyu s PHE 70 CO 0.27 -0.26 2.13 1.63 -1.46 0.00 0.00 175.22 177.53 1cyu n LYS 71 N 5.23 4.09 -1.41 10.12 5.02 -1.19 0.02 118.16 140.05 1cyu n LYS 71 Ca -0.05 -3.48 -0.55 0.00 -2.02 0.00 0.00 58.31 52.21 1cyu n LYS 71 Cb 0.50 -2.78 -0.08 0.00 -0.02 0.00 0.00 35.03 32.65 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 2.83 0.13 -2.67 4.39 7.64 -1.25 -4.29 113.62 120.40 1cyu n SER 72 Ca 0.51 1.07 -0.04 0.00 1.01 0.00 0.00 58.87 61.42 1cyu n SER 72 Cb 0.30 -0.84 0.11 0.00 -1.01 0.00 0.00 64.21 62.77 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 1.67 -1.32 -1.94 -3.43 0.00 0.65 -4.28 117.00 108.34 1cyu n LEU 73 Ca 0.20 -2.04 -0.11 0.00 0.00 0.00 0.00 56.01 54.06 1cyu n LEU 73 Cb 0.06 0.97 -0.13 0.00 0.00 0.00 0.00 43.42 44.32 1cyu n LEU 73 CO 0.59 1.61 1.50 -0.81 0.00 0.00 0.00 177.39 180.29 1cyu n PRO 74 N 0.40 1.84 0.00 1.96 -0.04 0.28 -3.90 135.00 135.55 1cyu n PRO 74 Ca -0.06 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.48 1cyu n PRO 74 Cb 0.75 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 2.18 2.50 0.10 0.55 0.00 -1.26 -4.72 105.19 104.53 1cyu n GLY 75 Ca 0.35 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1cyu n GLY 75 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1cyu h GLN 76 N 0.00 0.16 -5.07 1.61 4.15 -1.96 -3.49 115.11 110.51 1cyu h GLN 76 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.14 1cyu h GLN 76 Cb 0.00 0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.79 1cyu h GLN 76 CO 0.00 0.99 -0.71 -1.71 -1.93 0.00 0.00 178.83 175.47 1cyu n ASN 77 N -3.36 -7.64 -3.17 -0.69 4.05 -1.26 -4.98 115.26 98.21 1cyu n ASN 77 Ca -0.14 0.95 -0.24 0.00 0.45 0.00 0.00 54.58 55.59 1cyu n ASN 77 Cb 1.03 -5.11 -0.05 0.00 1.23 0.00 0.00 39.78 36.88 1cyu n ASN 77 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1cyu n GLU 78 N 0.19 2.06 -0.32 1.20 -0.58 -1.26 -5.03 120.64 116.90 1cyu n GLU 78 Ca 0.05 -4.16 0.04 0.00 -0.42 0.00 0.00 57.16 52.68 1cyu n GLU 78 Cb 0.21 -1.93 -0.01 0.00 -0.57 0.00 0.00 31.44 29.14 1cyu n GLU 78 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1cyu n ASP 79 N 0.45 -3.12 -0.12 1.62 2.03 -1.26 -4.95 116.55 111.20 1cyu n ASP 79 Ca 0.27 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.93 1cyu n ASP 79 Cb 0.49 -0.96 0.00 0.00 -0.72 0.00 0.00 41.12 39.93 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 0.00 0.00 0.00 -2.67 -0.00 -1.26 -3.87 117.00 109.20 1cyu n LEU 80 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1cyu n LEU 80 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.56 1cyu n LEU 80 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 177.39 177.91 1cyu n VAL 81 N 0.00 0.00 -3.15 1.47 0.31 0.10 -4.43 118.33 112.64 1cyu n VAL 81 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 1cyu n VAL 81 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 1cyu n VAL 81 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1cyu n LEU 82 N 0.00 -0.90 0.04 7.52 4.32 -1.26 -0.54 117.00 126.18 1cyu n LEU 82 Ca 0.00 -4.19 0.02 0.00 -0.02 0.00 0.00 56.01 51.82 1cyu n LEU 82 Cb 0.00 0.65 0.10 0.00 -1.62 0.00 0.00 43.42 42.56 1cyu n LEU 82 CO 0.00 1.97 0.58 0.41 -1.22 0.00 0.00 177.39 179.14 1cyu n THR 83 N 2.11 1.13 -4.39 -5.08 -1.04 -1.23 -4.42 114.28 101.35 1cyu n THR 83 Ca 0.22 0.57 -0.26 0.00 -2.04 0.00 0.00 64.05 62.54 1cyu n THR 83 Cb 0.53 -1.57 -0.12 0.00 -1.82 0.00 0.00 70.33 67.36 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 -2.79 1.59 0.00 3.41 0.00 -1.21 -4.80 107.32 103.52 1cyu s GLY 84 Ca -0.00 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.16 1cyu s GLY 84 CO 0.03 -1.58 0.00 1.58 0.00 0.00 0.00 173.10 173.13 1cyu n TYR 85 N 0.41 0.00 -3.61 1.90 0.18 -1.08 -2.50 117.16 112.46 1cyu n TYR 85 Ca -0.14 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.62 1cyu n TYR 85 Cb 0.56 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.50 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 -0.72 0.20 0.00 -3.48 -1.52 -0.11 -4.92 119.66 109.12 1cyu s GLN 86 Ca 0.00 -0.08 -0.00 0.00 -1.95 0.00 0.00 55.36 53.33 1cyu s GLN 86 Cb 0.00 0.09 0.00 0.00 -0.22 0.00 0.00 33.01 32.88 1cyu s GLN 86 CO 0.00 -0.09 0.01 1.55 -0.25 0.00 0.00 175.29 176.51 1cyu n VAL 87 N -0.15 0.00 0.00 1.09 3.14 -1.26 -3.16 118.33 117.99 1cyu n VAL 87 Ca 0.00 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1cyu n VAL 87 Cb 0.59 -1.54 0.00 0.00 -1.06 0.00 0.00 33.84 31.83 1cyu n VAL 87 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1cyu n ASP 88 N -3.00 0.00 0.00 6.55 -0.08 -1.26 -4.61 116.55 114.15 1cyu n ASP 88 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1cyu n ASP 88 Cb 0.00 0.12 0.00 0.00 2.34 0.00 0.00 41.12 43.59 1cyu n ASP 88 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1cyu n LYS 89 N -1.65 0.00 0.00 -0.67 4.81 -1.26 -3.76 118.16 115.63 1cyu n LYS 89 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1cyu n LYS 89 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1cyu n LYS 89 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1cyu n ASN 90 N 1.92 0.00 0.08 3.14 2.04 -1.23 -3.69 115.26 117.51 1cyu n ASN 90 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1cyu n ASN 90 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1cyu n ASN 90 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1cyu n LYS 91 N 0.00 0.00 0.00 -3.83 4.01 -1.25 -4.68 118.16 112.41 1cyu n LYS 91 Ca 0.00 0.00 0.04 0.00 -0.51 0.00 0.00 58.31 57.84 1cyu n LYS 91 Cb 0.00 -0.34 0.21 0.00 -0.51 0.00 0.00 35.03 34.39 1cyu n LYS 91 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1cyu n ASP 92 N -3.46 0.00 -4.54 4.39 -0.08 -1.26 -4.77 116.55 106.83 1cyu n ASP 92 Ca 0.00 0.21 -0.56 0.00 -1.51 0.00 0.00 54.79 52.93 1cyu n ASP 92 Cb 0.02 -0.31 -0.07 0.00 2.34 0.00 0.00 41.12 43.10 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 -1.31 0.75 -3.61 1.67 -0.08 -1.26 -4.94 116.55 107.78 1cyu n ASP 93 Ca 0.04 1.14 -0.11 0.00 -1.51 0.00 0.00 54.79 54.34 1cyu n ASP 93 Cb 0.07 -1.05 -0.11 0.00 2.34 0.00 0.00 41.12 42.37 1cyu n ASP 93 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1cyu s GLU 94 N 0.21 0.24 -0.34 -0.67 2.02 -1.26 -5.09 118.70 113.81 1cyu s GLU 94 Ca 0.88 0.78 -0.29 0.00 0.02 0.00 0.00 54.97 56.36 1cyu s GLU 94 Cb -1.12 -0.05 -0.01 0.00 0.10 0.00 0.00 34.13 33.06 1cyu s GLU 94 CO 0.52 -0.35 1.61 -0.51 0.02 0.00 0.00 175.26 176.55 1cyu s LEU 95 N 2.50 3.61 0.32 1.80 1.43 -1.26 -4.94 118.68 122.14 1cyu s LEU 95 Ca 0.02 1.17 -0.05 0.00 -1.03 0.00 0.00 54.13 54.24 1cyu s LEU 95 Cb -0.13 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1cyu s LEU 95 CO -0.11 -1.51 0.49 0.42 0.23 0.00 0.00 176.35 175.86 1cyu s THR 96 N 5.97 0.00 0.00 5.49 -4.23 -1.26 -4.97 115.64 116.64 1cyu s THR 96 Ca 0.71 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 1cyu s THR 96 Cb -0.19 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.07 1cyu s THR 96 CO 0.32 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 1cyu n GLY 97 N -0.52 0.98 0.00 3.99 0.00 -1.25 -4.51 105.19 103.88 1cyu n GLY 97 Ca -0.00 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1cyu n GLY 97 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01