#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 -0.99 -0.80 2.02 2.07 -1.26 -5.00 121.20 117.24 1cyu s ILE 2 Ca 0.00 0.00 0.25 0.00 -1.41 0.00 0.00 60.65 59.49 1cyu s ILE 2 Cb 0.00 -1.00 0.25 0.00 0.13 0.00 0.00 42.46 41.84 1cyu s ILE 2 CO 0.00 0.00 1.78 -0.81 -1.91 0.00 0.00 174.94 174.00 1cyu n PRO 3 N 5.43 0.14 -2.93 3.50 -0.04 -1.26 -3.68 135.00 136.16 1cyu n PRO 3 Ca -0.02 0.19 -0.43 0.00 -0.04 0.00 0.00 63.50 63.20 1cyu n PRO 3 Cb 0.51 -1.69 -0.05 0.00 -0.04 0.00 0.00 33.50 32.23 1cyu n PRO 3 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1cyu s GLY 4 N -3.33 1.57 -1.26 0.55 0.00 -1.26 -3.98 107.32 99.60 1cyu s GLY 4 Ca 0.10 -0.97 -0.17 0.00 0.00 0.00 0.00 44.72 43.68 1cyu s GLY 4 CO 0.51 1.84 0.60 0.61 0.00 0.00 0.00 173.10 176.66 1cyu n GLY 5 N 4.98 -0.68 3.17 0.20 0.00 -1.26 -4.66 105.19 106.94 1cyu n GLY 5 Ca 0.03 0.32 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.49 -2.63 0.00 0.99 -0.00 -1.24 -2.79 117.00 106.84 1cyu n LEU 6 Ca -0.17 -0.05 0.00 0.00 -0.00 0.00 0.00 56.01 55.78 1cyu n LEU 6 Cb 0.62 -0.79 0.00 0.00 -0.00 0.00 0.00 43.42 43.25 1cyu n LEU 6 CO 0.72 -2.99 0.00 -1.20 -0.00 0.00 0.00 177.39 173.92 1cyu n SER 7 N 0.44 0.00 -4.29 1.45 7.64 -1.26 -4.35 113.62 113.25 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 0.67 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1cyu n SER 7 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1cyu n GLU 8 N 0.00 3.58 0.00 1.43 -0.58 -1.22 -4.96 120.64 118.89 1cyu n GLU 8 Ca 0.00 -4.47 0.00 0.00 -0.42 0.00 0.00 57.16 52.27 1cyu n GLU 8 Cb 0.00 -2.54 0.00 0.00 -0.57 0.00 0.00 31.44 28.33 1cyu n GLU 8 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1cyu n ALA 9 N 2.51 0.00 -2.54 0.62 0.00 -1.12 -1.12 120.51 118.86 1cyu n ALA 9 Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.43 1cyu n ALA 9 Cb 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.73 1.90 -0.42 0.00 1.02 -1.15 -4.87 119.74 114.50 1cyu s LYS 10 Ca 0.00 -1.85 -0.29 0.00 0.02 0.00 0.00 55.97 53.85 1cyu s LYS 10 Cb 0.00 -1.80 0.02 0.00 -0.52 0.00 0.00 37.83 35.53 1cyu s LYS 10 CO 0.00 0.16 1.28 -1.25 -0.92 0.00 0.00 175.35 174.62 1cyu s PRO 11 N -3.64 3.69 0.00 -1.68 0.04 -1.26 -2.37 135.00 129.78 1cyu s PRO 11 Ca 0.33 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1cyu s PRO 11 Cb 0.01 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1cyu s PRO 11 CO 0.17 -1.42 0.00 0.00 0.04 0.00 0.00 177.00 175.79 1cyu n ALA 12 N 8.24 -1.00 -1.65 8.56 0.00 -0.41 -4.84 120.51 129.41 1cyu n ALA 12 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.30 1cyu n ALA 12 Cb 0.48 -0.22 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 0.00 1.99 -1.40 0.00 -4.23 -1.26 -4.78 115.64 105.95 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 -2.83 0.38 0.00 1.34 0.00 0.00 72.50 71.39 1cyu s THR 13 CO 0.00 0.00 1.73 -0.81 -0.54 0.00 0.00 174.62 175.00 1cyu n PRO 14 N -3.67 0.30 -0.08 3.99 -0.04 -1.26 -1.39 135.00 132.85 1cyu n PRO 14 Ca 0.08 0.08 -0.12 0.00 -0.04 0.00 0.00 63.50 63.49 1cyu n PRO 14 Cb 0.60 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.30 0.48 -0.18 0.54 4.07 -1.26 -4.16 120.64 118.82 1cyu n GLU 15 Ca 0.10 0.19 -0.02 0.00 -0.06 0.00 0.00 57.16 57.38 1cyu n GLU 15 Cb 0.18 -1.33 0.08 0.00 -0.06 0.00 0.00 31.44 30.31 1cyu n GLU 15 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1cyu h ILE 16 N -0.88 0.87 -0.13 6.31 1.08 -1.92 0.78 117.51 123.61 1cyu h ILE 16 Ca -0.13 -0.16 0.04 0.00 -0.39 0.00 0.00 64.86 64.22 1cyu h ILE 16 Cb 1.02 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.14 1cyu h ILE 16 CO -0.08 0.08 0.11 0.06 -0.69 0.00 0.00 178.15 177.64 1cyu h GLN 17 N 0.46 0.00 -0.41 2.37 3.07 -1.47 0.47 115.11 119.60 1cyu h GLN 17 Ca 0.26 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.96 1cyu h GLN 17 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.79 1cyu h GLN 17 CO -0.23 0.00 0.06 1.49 0.09 0.00 0.00 178.83 180.24 1cyu h GLU 18 N 0.00 0.63 -0.67 0.06 4.81 -1.00 -1.69 114.58 116.72 1cyu h GLU 18 Ca 0.06 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1cyu h GLU 18 Cb 0.29 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1cyu h GLU 18 CO -0.00 0.61 0.23 0.97 -0.73 0.00 0.00 179.01 180.09 1cyu h ILE 19 N 0.61 1.24 0.00 2.32 -0.00 -0.85 -0.79 117.51 120.05 1cyu h ILE 19 Ca 0.13 -0.81 0.00 0.00 -0.00 0.00 0.00 64.86 64.19 1cyu h ILE 19 Cb 0.30 0.48 0.00 0.00 -0.00 0.00 0.00 36.82 37.60 1cyu h ILE 19 CO 0.00 0.32 0.05 0.58 -0.00 0.00 0.00 178.15 179.10 1cyu h VAL 20 N 0.98 0.00 0.00 2.19 2.07 -1.21 0.49 116.25 120.77 1cyu h VAL 20 Ca 0.22 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.74 1cyu h VAL 20 Cb 0.25 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1cyu h VAL 20 CO -0.01 0.00 -1.74 -0.67 0.02 0.00 0.00 177.57 175.17 1cyu n ASP 21 N -3.03 0.37 0.00 0.57 -0.08 -0.39 -3.37 116.55 110.62 1cyu n ASP 21 Ca -0.03 -0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.03 1cyu n ASP 21 Cb 0.12 1.75 0.00 0.00 2.34 0.00 0.00 41.12 45.33 1cyu n ASP 21 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1cyu n LYS 22 N -2.06 0.00 -0.00 -0.67 3.00 0.15 -3.51 118.16 115.06 1cyu n LYS 22 Ca -0.02 0.00 0.15 0.00 -0.00 0.00 0.00 58.31 58.44 1cyu n LYS 22 Cb 0.50 -0.57 0.81 0.00 0.00 0.00 0.00 35.03 35.77 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 -0.51 0.00 -2.57 3.15 0.31 -1.09 -3.83 118.33 113.79 1cyu n VAL 23 Ca 0.00 -0.08 -0.20 0.00 -0.01 0.00 0.00 64.34 64.05 1cyu n VAL 23 Cb 0.00 -0.18 0.01 0.00 -0.91 0.00 0.00 33.84 32.76 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 -0.63 2.48 0.00 5.55 4.01 -1.22 -4.82 118.16 123.53 1cyu n LYS 24 Ca 0.22 -4.00 0.11 0.00 -0.51 0.00 0.00 58.31 54.14 1cyu n LYS 24 Cb 0.19 -1.84 0.63 0.00 -0.51 0.00 0.00 35.03 33.49 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 -0.30 0.52 -0.00 1.97 -0.04 -1.23 -0.89 135.00 135.04 1cyu n PRO 25 Ca 0.27 0.04 0.02 0.00 -0.04 0.00 0.00 63.50 63.79 1cyu n PRO 25 Cb 0.72 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.14 1.07 0.06 0.54 3.00 -1.26 -4.18 117.38 115.47 1cyu n GLN 26 Ca 0.14 -0.03 0.11 0.00 -0.01 0.00 0.00 57.00 57.21 1cyu n GLN 26 Cb 0.13 -1.04 -0.03 0.00 0.00 0.00 0.00 30.24 29.30 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 -1.56 0.61 -0.01 1.08 7.99 -1.04 -3.92 117.00 120.15 1cyu n LEU 27 Ca -0.01 0.20 -0.02 0.00 -0.01 0.00 0.00 56.01 56.18 1cyu n LEU 27 Cb 0.11 -0.06 -0.12 0.00 -0.11 0.00 0.00 43.42 43.24 1cyu n LEU 27 CO 0.09 -0.11 -0.60 1.21 -1.51 0.00 0.00 177.39 176.48 1cyu n GLU 28 N -2.46 0.64 -2.96 3.23 0.00 -0.06 -4.44 120.64 114.59 1cyu n GLU 28 Ca -0.01 0.11 -0.19 0.00 0.00 0.00 0.00 57.16 57.08 1cyu n GLU 28 Cb 0.53 -1.69 -0.02 0.00 0.00 0.00 0.00 31.44 30.26 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 -2.78 1.69 0.08 5.31 0.00 -1.26 -4.48 120.64 119.21 1cyu n GLU 29 Ca -0.15 -3.76 0.00 0.00 0.00 0.00 0.00 57.16 53.25 1cyu n GLU 29 Cb 0.90 -1.77 0.00 0.00 0.00 0.00 0.00 31.44 30.57 1cyu n GLU 29 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1cyu n LYS 30 N 0.03 0.00 -0.34 3.44 0.00 -1.25 -4.80 118.16 115.24 1cyu n LYS 30 Ca 0.24 0.00 0.36 0.00 0.00 0.00 0.00 58.31 58.91 1cyu n LYS 30 Cb 0.64 0.00 0.74 0.00 0.00 0.00 0.00 35.03 36.41 1cyu n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1cyu h THR 31 N 0.00 0.32 -6.66 3.15 1.03 -1.78 -3.43 112.91 105.54 1cyu h THR 31 Ca 0.00 0.00 -0.52 0.00 -0.01 0.00 0.00 66.41 65.88 1cyu h THR 31 Cb 0.00 0.34 -0.21 0.00 -1.07 0.00 0.00 68.15 67.21 1cyu h THR 31 CO 0.00 0.00 -0.79 -0.46 -0.01 0.00 0.00 175.52 174.26 1cyu n ASN 32 N -4.04 0.17 -4.73 0.00 6.94 -1.26 -4.85 115.26 107.48 1cyu n ASN 32 Ca 0.27 -1.05 -0.30 0.00 -0.02 0.00 0.00 54.58 53.47 1cyu n ASN 32 Cb 1.33 -1.32 0.13 0.00 -2.36 0.00 0.00 39.78 37.56 1cyu n ASN 32 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1cyu s GLU 33 N -6.51 1.50 -0.27 -3.83 2.56 -1.26 -4.89 118.70 106.00 1cyu s GLU 33 Ca 0.19 0.91 0.00 0.00 0.00 0.00 0.00 54.97 56.07 1cyu s GLU 33 Cb -0.11 -1.83 0.25 0.00 2.00 0.00 0.00 34.13 34.44 1cyu s GLU 33 CO 0.83 -2.10 1.77 -2.37 -0.56 0.00 0.00 175.26 172.83 1cyu n THR 34 N -3.80 2.45 -2.56 -1.70 5.66 -1.26 -4.84 114.28 108.23 1cyu n THR 34 Ca 0.08 -1.32 0.00 0.00 -3.05 0.00 0.00 64.05 59.75 1cyu n THR 34 Cb 0.55 -1.09 0.00 0.00 -1.55 0.00 0.00 70.33 68.24 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 0.09 0.00 -3.50 1.09 4.01 -1.26 -5.07 117.16 112.52 1cyu n TYR 35 Ca 0.29 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.65 1cyu n TYR 35 Cb 0.78 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.77 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 4.28 1.40 2.72 0.00 -1.26 -4.67 105.19 107.66 1cyu n GLY 36 Ca 0.00 -2.61 0.04 0.00 0.00 0.00 0.00 46.02 43.45 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 2.21 0.08 -2.65 1.61 5.02 -1.26 -4.89 118.16 118.28 1cyu n LYS 37 Ca 0.23 -2.01 -0.33 0.00 -2.02 0.00 0.00 58.31 54.18 1cyu n LYS 37 Cb 0.37 -0.11 -0.00 0.00 -0.02 0.00 0.00 35.03 35.27 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 0.39 5.85 0.00 -0.35 7.99 -1.26 0.44 117.00 130.06 1cyu n LEU 38 Ca 0.06 -5.42 0.00 0.00 -0.01 0.00 0.00 56.01 50.64 1cyu n LEU 38 Cb 1.10 -0.81 0.00 0.00 -0.11 0.00 0.00 43.42 43.60 1cyu n LEU 38 CO -0.04 2.17 0.00 1.21 -1.51 0.00 0.00 177.39 179.22 1cyu n GLU 39 N -0.25 0.00 -1.54 3.23 4.07 -1.08 -4.79 120.64 120.27 1cyu n GLU 39 Ca 0.40 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 57.17 1cyu n GLU 39 Cb 0.37 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 31.82 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 2.28 -0.17 4.31 0.00 -1.26 -0.55 121.76 125.38 1cyu s ALA 40 Ca 0.00 0.61 -0.03 0.00 0.00 0.00 0.00 51.96 52.54 1cyu s ALA 40 Cb 0.00 -3.36 -0.23 0.00 0.00 0.00 0.00 23.12 19.53 1cyu s ALA 40 CO 0.00 -1.59 0.14 1.55 0.00 0.00 0.00 175.76 175.86 1cyu n VAL 41 N -2.75 1.67 0.00 0.00 3.14 -0.27 -3.96 118.33 116.15 1cyu n VAL 41 Ca 0.11 -0.63 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 1cyu n VAL 41 Cb 0.52 -1.59 0.00 0.00 -1.06 0.00 0.00 33.84 31.70 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 -3.39 0.00 -3.63 1.45 0.00 -0.44 -1.29 117.38 110.08 1cyu n GLN 42 Ca -0.37 0.00 -0.17 0.00 -0.00 0.00 0.00 57.00 56.46 1cyu n GLN 42 Cb 1.03 0.00 -0.15 0.00 0.00 0.00 0.00 30.24 31.12 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 -0.22 0.40 3.69 1.13 -1.00 -1.38 117.35 117.97 1cyu s TYR 43 Ca 0.00 0.57 -0.03 0.00 -1.41 0.00 0.00 57.07 56.20 1cyu s TYR 43 Cb 0.00 -0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 40.57 1cyu s TYR 43 CO 0.00 -0.35 0.66 0.21 -2.51 0.00 0.00 175.55 173.56 1cyu s LYS 44 N 2.31 3.52 -0.09 -3.49 2.20 -0.32 -2.91 119.74 120.96 1cyu s LYS 44 Ca 0.03 -0.06 0.02 0.00 -0.36 0.00 0.00 55.97 55.60 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 -0.16 0.95 -0.36 0.00 0.00 175.35 175.70 1cyu s THR 45 N -2.49 1.47 -0.16 3.43 -4.23 -0.27 -1.61 115.64 111.78 1cyu s THR 45 Ca 0.44 -0.65 -0.07 0.00 -1.18 0.00 0.00 61.69 60.23 1cyu s THR 45 Cb -0.10 -1.33 0.06 0.00 1.34 0.00 0.00 72.50 72.48 1cyu s THR 45 CO 0.39 0.43 0.35 0.00 -0.54 0.00 0.00 174.62 175.26 1cyu s GLN 46 N 0.77 0.30 0.00 3.99 -2.07 -0.79 -4.85 119.66 117.01 1cyu s GLN 46 Ca -0.11 0.79 0.00 0.00 -1.82 0.00 0.00 55.36 54.21 1cyu s GLN 46 Cb -0.16 0.04 0.00 0.00 -1.09 0.00 0.00 33.01 31.80 1cyu s GLN 46 CO 0.02 -0.20 0.00 1.33 -1.32 0.00 0.00 175.29 175.12 1cyu n VAL 47 N 4.70 0.00 0.00 3.63 0.24 -1.26 0.40 118.33 126.04 1cyu n VAL 47 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1cyu n VAL 47 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 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 -0.66 0.00 0.00 3.34 3.14 -1.26 -3.27 118.33 119.63 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 0.73 0.00 0.00 0.00 -1.24 0.84 105.19 105.52 1cyu n GLY 50 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.47 2.61 -1.04 -1.26 -4.50 114.28 107.61 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 -0.04 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 6.51 -0.03 8.00 3.84 0.16 -2.95 114.94 130.47 1cyu s ASN 52 Ca 0.00 1.71 -0.00 0.00 0.21 0.00 0.00 52.86 54.78 1cyu s ASN 52 Cb 0.00 -2.53 0.03 0.00 -0.55 0.00 0.00 41.25 38.20 1cyu s ASN 52 CO 0.00 -0.66 0.02 -0.31 -2.79 0.00 0.00 177.10 173.36 1cyu s TYR 53 N -2.36 0.17 -0.57 0.43 2.02 0.30 -1.89 117.35 115.46 1cyu s TYR 53 Ca 0.62 0.08 -0.13 0.00 -0.37 0.00 0.00 57.07 57.27 1cyu s TYR 53 Cb -0.12 -0.35 0.14 0.00 -0.40 0.00 0.00 41.96 41.24 1cyu s TYR 53 CO 0.25 -0.12 0.49 -0.47 -1.57 0.00 0.00 175.55 174.13 1cyu s TYR 54 N 1.17 3.40 -0.95 2.71 5.04 -0.63 0.85 117.35 128.94 1cyu s TYR 54 Ca -0.08 -1.68 -0.15 0.00 -2.44 0.00 0.00 57.07 52.72 1cyu s TYR 54 Cb -0.13 -3.67 0.19 0.00 0.35 0.00 0.00 41.96 38.71 1cyu s TYR 54 CO -0.02 -1.00 1.02 0.42 -1.34 0.00 0.00 175.55 174.63 1cyu s ILE 55 N 1.20 5.32 -0.24 3.14 -1.09 0.19 -1.18 121.20 128.54 1cyu s ILE 55 Ca 0.07 -2.36 -0.29 0.00 -2.23 0.00 0.00 60.65 55.84 1cyu s ILE 55 Cb -0.25 -4.65 0.00 0.00 -1.58 0.00 0.00 42.46 35.99 1cyu s ILE 55 CO -0.01 -1.28 1.18 -0.75 -1.23 0.00 0.00 174.94 172.85 1cyu s LYS 56 N 0.92 4.14 0.09 2.79 2.20 -0.48 0.73 119.74 130.13 1cyu s LYS 56 Ca 0.28 1.39 -0.11 0.00 -0.36 0.00 0.00 55.97 57.16 1cyu s LYS 56 Cb -0.07 -3.75 -0.06 0.00 -1.51 0.00 0.00 37.83 32.43 1cyu s LYS 56 CO -0.08 -0.81 0.43 0.54 -0.36 0.00 0.00 175.35 175.07 1cyu s VAL 57 N 3.64 5.04 -0.09 4.02 0.11 -0.99 -1.12 120.40 131.02 1cyu s VAL 57 Ca 0.51 0.53 -0.11 0.00 -2.93 0.00 0.00 61.98 59.98 1cyu s VAL 57 Cb -0.17 -3.66 -0.05 0.00 -1.53 0.00 0.00 36.38 30.97 1cyu s VAL 57 CO 0.14 0.28 0.25 -0.60 -3.33 0.00 0.00 175.10 171.84 1cyu s ARG 58 N -1.92 3.73 -0.06 1.54 3.52 0.29 -1.67 118.95 124.38 1cyu s ARG 58 Ca 0.34 0.08 0.13 0.00 -0.13 0.00 0.00 55.73 56.15 1cyu s ARG 58 Cb -0.14 -3.24 0.26 0.00 -1.56 0.00 0.00 34.95 30.27 1cyu s ARG 58 CO 0.18 0.67 1.12 0.00 -0.81 0.00 0.00 175.30 176.46 1cyu n ALA 59 N 2.16 2.45 0.00 6.12 0.00 -1.14 -2.62 120.51 127.47 1cyu n ALA 59 Ca -0.17 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.15 1cyu n ALA 59 Cb 0.54 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.33 -0.19 0.08 0.00 0.00 1.54 -3.76 105.19 102.54 1cyu n GLY 60 Ca 0.08 -2.21 0.12 0.00 0.00 0.00 0.00 46.02 44.01 1cyu n GLY 60 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1cyu h ASP 61 N 0.00 0.00 0.00 1.61 3.58 -1.92 -3.38 116.42 116.31 1cyu h ASP 61 Ca 0.00 -0.17 -0.22 0.00 0.42 0.00 0.00 57.03 57.07 1cyu h ASP 61 Cb 0.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 1cyu h ASP 61 CO 0.00 0.08 -1.83 -0.46 -2.88 0.00 0.00 179.24 174.16 1cyu n ASN 62 N -2.27 2.61 -4.89 2.28 6.94 -1.26 -4.99 115.26 113.67 1cyu n ASN 62 Ca 0.02 -0.05 -0.30 0.00 -0.02 0.00 0.00 54.58 54.24 1cyu n ASN 62 Cb 0.47 0.12 -0.04 0.00 -2.36 0.00 0.00 39.78 37.97 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 -2.29 3.70 -0.31 -3.83 1.02 -1.21 -3.31 119.74 113.50 1cyu s LYS 63 Ca -0.15 0.15 -0.02 0.00 0.02 0.00 0.00 55.97 55.98 1cyu s LYS 63 Cb 0.05 -2.59 0.19 0.00 -0.52 0.00 0.00 37.83 34.95 1cyu s LYS 63 CO 0.39 0.18 0.81 -0.47 -0.92 0.00 0.00 175.35 175.34 1cyu s TYR 64 N -2.09 -1.18 0.00 3.18 6.14 -1.26 -3.04 117.35 119.10 1cyu s TYR 64 Ca 0.46 0.57 0.00 0.00 0.64 0.00 0.00 57.07 58.74 1cyu s TYR 64 Cb -0.11 0.20 0.00 0.00 0.42 0.00 0.00 41.96 42.48 1cyu s TYR 64 CO 0.28 -0.71 0.00 1.28 0.64 0.00 0.00 175.55 177.04 1cyu n LEU 65 N 4.98 0.00 -3.50 6.97 4.32 -0.67 -4.32 117.00 124.79 1cyu n LEU 65 Ca 0.07 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.94 1cyu n LEU 65 Cb 0.57 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.33 1cyu n LEU 65 CO -0.10 -0.50 0.56 -2.28 -1.22 0.00 0.00 177.39 173.85 1cyu s HIS 66 N 0.44 -0.49 0.22 -1.77 2.46 -1.19 -2.36 115.29 112.61 1cyu s HIS 66 Ca 0.00 0.55 -0.17 0.00 0.47 0.00 0.00 55.06 55.91 1cyu s HIS 66 Cb 0.00 0.50 0.02 0.00 -0.13 0.00 0.00 32.58 32.97 1cyu s HIS 66 CO 0.00 -0.61 0.55 -1.17 -2.47 0.00 0.00 174.74 171.04 1cyu s LEU 67 N -1.99 0.06 -0.28 8.88 2.96 0.22 -1.04 118.68 127.49 1cyu s LEU 67 Ca -0.01 -0.60 -0.02 0.00 -0.22 0.00 0.00 54.13 53.28 1cyu s LEU 67 Cb -0.01 2.18 0.12 0.00 0.50 0.00 0.00 46.19 48.98 1cyu s LEU 67 CO -0.04 -1.13 0.23 -0.75 -1.32 0.00 0.00 176.35 173.35 1cyu s LYS 68 N -3.91 0.26 -0.08 1.98 2.36 -0.94 0.55 119.74 119.96 1cyu s LYS 68 Ca 0.12 -0.23 -0.23 0.00 -2.55 0.00 0.00 55.97 53.08 1cyu s LYS 68 Cb -0.02 -0.91 -0.03 0.00 -1.05 0.00 0.00 37.83 35.82 1cyu s LYS 68 CO 0.01 -0.98 0.71 0.08 1.55 0.00 0.00 175.35 176.73 1cyu s VAL 69 N 2.27 5.03 -0.03 4.02 1.01 0.25 -3.28 120.40 129.67 1cyu s VAL 69 Ca 0.09 1.45 0.01 0.00 0.00 0.00 0.00 61.98 63.53 1cyu s VAL 69 Cb -0.15 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.20 1cyu s VAL 69 CO -0.31 0.23 -0.02 0.12 0.00 0.00 0.00 175.10 175.11 1cyu s PHE 70 N 0.97 0.45 -1.15 5.22 5.36 0.13 0.11 117.98 129.07 1cyu s PHE 70 Ca 0.37 -0.07 -0.05 0.00 -0.96 0.00 0.00 56.93 56.22 1cyu s PHE 70 Cb -0.18 -0.43 0.25 0.00 -0.34 0.00 0.00 43.02 42.32 1cyu s PHE 70 CO 0.17 -0.11 1.79 1.63 -1.46 0.00 0.00 175.22 177.24 1cyu n LYS 71 N 3.78 4.55 -1.34 10.12 5.02 -1.15 -0.66 118.16 138.49 1cyu n LYS 71 Ca -0.23 -4.19 -0.51 0.00 -2.02 0.00 0.00 58.31 51.36 1cyu n LYS 71 Cb 0.53 -2.61 -0.13 0.00 -0.02 0.00 0.00 35.03 32.80 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 1.60 0.54 -2.92 4.39 7.64 -1.25 -4.33 113.62 119.30 1cyu n SER 72 Ca 0.40 0.46 -0.13 0.00 1.01 0.00 0.00 58.87 60.60 1cyu n SER 72 Cb 0.31 -0.89 0.04 0.00 -1.01 0.00 0.00 64.21 62.65 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 8.65 -1.16 -1.95 -3.43 0.00 -0.66 -3.87 117.00 114.58 1cyu n LEU 73 Ca 0.59 -4.18 -0.11 0.00 0.00 0.00 0.00 56.01 52.31 1cyu n LEU 73 Cb -0.01 0.84 -0.11 0.00 0.00 0.00 0.00 43.42 44.13 1cyu n LEU 73 CO 0.89 2.14 1.47 -0.81 0.00 0.00 0.00 177.39 181.09 1cyu n PRO 74 N 0.52 1.83 0.00 1.96 -0.04 0.25 -3.64 135.00 135.88 1cyu n PRO 74 Ca 0.14 -0.97 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 1cyu n PRO 74 Cb 0.67 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 2.03 2.06 0.21 0.55 0.00 -1.26 -4.65 105.19 104.13 1cyu n GLY 75 Ca 0.34 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 -6.11 1.61 5.75 -1.96 -3.48 115.11 110.93 1cyu h GLN 76 Ca 0.00 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.24 1cyu h GLN 76 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1cyu h GLN 76 CO 0.00 0.07 -0.74 -1.71 -2.65 0.00 0.00 178.83 173.80 1cyu n ASN 77 N -3.12 -6.28 -3.42 -0.69 4.05 -1.26 -4.90 115.26 99.64 1cyu n ASN 77 Ca 0.03 -0.31 -0.32 0.00 0.45 0.00 0.00 54.58 54.43 1cyu n ASN 77 Cb 0.54 -3.24 -0.03 0.00 1.23 0.00 0.00 39.78 38.28 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 -1.49 3.63 -0.56 1.20 1.02 -1.25 -5.02 120.64 118.16 1cyu n GLU 78 Ca -0.11 -4.71 0.08 0.00 -0.02 0.00 0.00 57.16 52.39 1cyu n GLU 78 Cb 0.60 -2.34 -0.02 0.00 -0.02 0.00 0.00 31.44 29.67 1cyu n GLU 78 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1cyu n ASP 79 N 0.43 -3.34 -0.82 1.62 -0.08 -1.26 -4.95 116.55 108.15 1cyu n ASP 79 Ca 0.33 0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.85 1cyu n ASP 79 Cb 0.36 -1.71 0.00 0.00 2.34 0.00 0.00 41.12 42.11 1cyu n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cyu n LEU 80 N -2.40 0.00 -3.64 -2.67 -0.00 -1.26 -3.79 117.00 103.24 1cyu n LEU 80 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 1cyu n LEU 80 Cb 0.26 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.64 1cyu n LEU 80 CO 0.00 0.00 1.16 -0.69 -0.00 0.00 0.00 177.39 177.87 1cyu s VAL 81 N 2.23 0.00 -0.41 1.47 1.01 0.17 -4.32 120.40 120.55 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 0.19 0.00 0.00 0.00 0.00 36.38 35.57 1cyu s VAL 81 CO 0.00 0.00 0.40 0.18 0.00 0.00 0.00 175.10 175.68 1cyu n LEU 82 N 0.42 -0.37 0.00 3.92 4.32 -1.26 -0.70 117.00 123.33 1cyu n LEU 82 Ca 0.01 -4.43 0.00 0.00 -0.02 0.00 0.00 56.01 51.57 1cyu n LEU 82 Cb 0.58 0.58 0.00 0.00 -1.62 0.00 0.00 43.42 42.96 1cyu n LEU 82 CO 0.07 1.92 0.46 0.41 -1.22 0.00 0.00 177.39 179.03 1cyu n THR 83 N 2.44 1.51 -4.55 -5.08 -1.04 -1.23 -4.46 114.28 101.85 1cyu n THR 83 Ca 0.27 0.42 -0.28 0.00 -2.04 0.00 0.00 64.05 62.42 1cyu n THR 83 Cb 0.50 -1.42 -0.14 0.00 -1.82 0.00 0.00 70.33 67.45 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 -2.74 1.43 0.00 3.41 0.00 -1.21 -4.78 107.32 103.44 1cyu s GLY 84 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.38 1cyu s GLY 84 CO 0.00 -1.29 0.00 1.58 0.00 0.00 0.00 173.10 173.39 1cyu n TYR 85 N 1.29 0.00 0.00 1.90 4.11 -1.10 -2.22 117.16 121.14 1cyu n TYR 85 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.72 1cyu n TYR 85 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 1cyu n TYR 85 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 1cyu n GLN 86 N 0.00 0.00 -0.56 -3.48 1.13 -0.20 -4.90 117.38 109.36 1cyu n GLN 86 Ca 0.00 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.05 1cyu n GLN 86 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.36 1cyu n GLN 86 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1cyu n VAL 87 N -0.02 0.00 0.00 5.09 3.14 -1.26 -3.17 118.33 122.10 1cyu n VAL 87 Ca 0.00 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1cyu n VAL 87 Cb 0.00 -1.52 0.00 0.00 -1.06 0.00 0.00 33.84 31.26 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 -3.01 0.00 0.00 6.55 -0.08 -1.26 -4.61 116.55 114.14 1cyu n ASP 88 Ca 0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1cyu n ASP 88 Cb 0.03 0.14 0.00 0.00 2.34 0.00 0.00 41.12 43.63 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 -1.73 0.00 0.00 -0.67 4.81 -1.26 -3.86 118.16 115.45 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 2.48 0.00 0.00 3.14 2.04 -1.21 -3.32 115.26 118.39 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 5.02 -1.25 -4.70 118.16 113.40 1cyu n LYS 91 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1cyu n LYS 91 Cb 0.00 -0.30 0.33 0.00 -0.02 0.00 0.00 35.03 35.03 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 -2.79 0.00 -4.56 4.39 -0.08 -1.26 -4.69 116.55 107.55 1cyu n ASP 92 Ca 0.00 -1.53 -0.21 0.00 -1.51 0.00 0.00 54.79 51.54 1cyu n ASP 92 Cb 0.30 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.70 1cyu n ASP 92 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1cyu s ASP 93 N -1.41 4.58 -0.32 1.67 2.15 -1.26 -4.86 116.67 117.23 1cyu s ASP 93 Ca 0.16 -0.48 0.01 0.00 0.43 0.00 0.00 52.55 52.68 1cyu s ASP 93 Cb 0.08 -2.56 0.10 0.00 -0.30 0.00 0.00 42.92 40.23 1cyu s ASP 93 CO 0.13 -3.29 0.07 -1.61 -0.17 0.00 0.00 175.17 170.30 1cyu s GLU 94 N 7.75 1.07 0.05 4.34 0.41 -1.26 -5.09 118.70 125.98 1cyu s GLU 94 Ca 0.79 -1.37 -0.30 0.00 -0.41 0.00 0.00 54.97 53.68 1cyu s GLU 94 Cb -0.09 -2.50 -0.09 0.00 -1.78 0.00 0.00 34.13 29.68 1cyu s GLU 94 CO 0.04 -0.94 1.86 -0.51 -0.49 0.00 0.00 175.26 175.22 1cyu s LEU 95 N 1.33 4.41 0.00 1.80 1.02 -1.26 -4.96 118.68 121.02 1cyu s LEU 95 Ca 0.09 2.63 0.06 0.00 0.02 0.00 0.00 54.13 56.93 1cyu s LEU 95 Cb -0.18 -3.54 -0.02 0.00 0.02 0.00 0.00 46.19 42.46 1cyu s LEU 95 CO -0.17 -1.01 0.25 0.35 0.02 0.00 0.00 176.35 175.79 1cyu n THR 96 N 5.23 0.00 -3.09 5.49 -2.24 -1.26 -5.10 114.28 113.31 1cyu n THR 96 Ca 0.19 -2.05 0.00 0.00 -2.27 0.00 0.00 64.05 59.91 1cyu n THR 96 Cb 0.40 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 1cyu n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cyu n GLY 97 N -0.54 -0.64 2.30 3.38 0.00 -1.26 -4.52 105.19 103.91 1cyu n GLY 97 Ca 0.06 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1cyu n GLY 97 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65