#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 2.54 0.30 2.02 2.07 -1.26 -5.08 121.20 121.79 1cyu s ILE 2 Ca 0.00 -3.91 -0.28 0.00 -1.41 0.00 0.00 60.65 55.06 1cyu s ILE 2 Cb 0.00 -2.69 -0.09 0.00 0.13 0.00 0.00 42.46 39.80 1cyu s ILE 2 CO 0.00 -0.99 0.99 -2.16 -1.91 0.00 0.00 174.94 170.87 1cyu s PRO 3 N -1.06 4.64 -1.14 3.50 0.04 -1.26 -4.99 135.00 134.74 1cyu s PRO 3 Ca 0.24 1.50 -0.14 0.00 0.04 0.00 0.00 61.00 62.64 1cyu s PRO 3 Cb -0.08 -3.01 0.18 0.00 0.04 0.00 0.00 34.50 31.63 1cyu s PRO 3 CO -0.14 0.29 1.32 0.20 0.04 0.00 0.00 177.00 178.72 1cyu s GLY 4 N -1.31 2.44 -1.18 0.56 0.00 -1.26 -4.45 107.32 102.12 1cyu s GLY 4 Ca 0.47 -3.32 -0.09 0.00 0.00 0.00 0.00 44.72 41.78 1cyu s GLY 4 CO 0.31 1.93 0.40 0.61 0.00 0.00 0.00 173.10 176.35 1cyu n GLY 5 N 4.16 -0.48 0.00 0.20 0.00 -1.26 -4.81 105.19 103.00 1cyu n GLY 5 Ca 0.32 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -3.55 0.00 0.00 0.99 7.94 -1.26 -4.35 117.00 116.77 1cyu n LEU 6 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1cyu n LEU 6 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 1cyu n LEU 6 CO 0.47 0.00 0.00 -1.20 -1.11 0.00 0.00 177.39 175.55 1cyu n SER 7 N 0.00 0.00 -4.51 1.96 7.64 -1.26 -3.83 113.62 113.62 1cyu n SER 7 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 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 3.69 -0.27 1.43 2.02 -1.26 -4.89 118.70 119.42 1cyu s GLU 8 Ca 0.00 -1.64 -0.27 0.00 0.02 0.00 0.00 54.97 53.08 1cyu s GLU 8 Cb 0.00 -5.17 0.18 0.00 0.10 0.00 0.00 34.13 29.24 1cyu s GLU 8 CO 0.00 -1.99 1.31 0.00 0.02 0.00 0.00 175.26 174.60 1cyu s ALA 9 N 3.58 -2.12 0.35 5.21 0.00 -1.25 -0.75 121.76 126.79 1cyu s ALA 9 Ca 0.41 1.77 0.09 0.00 0.00 0.00 0.00 51.96 54.23 1cyu s ALA 9 Cb -0.02 -1.50 -0.06 0.00 0.00 0.00 0.00 23.12 21.54 1cyu s ALA 9 CO -0.07 -0.20 -0.03 0.15 0.00 0.00 0.00 175.76 175.62 1cyu s LYS 10 N -0.52 1.96 -0.49 0.00 1.02 -1.14 -4.91 119.74 115.67 1cyu s LYS 10 Ca 0.06 -1.86 -0.29 0.00 0.02 0.00 0.00 55.97 53.90 1cyu s LYS 10 Cb -0.03 -1.81 0.02 0.00 -0.52 0.00 0.00 37.83 35.49 1cyu s LYS 10 CO -0.09 0.11 1.25 -1.25 -0.92 0.00 0.00 175.35 174.45 1cyu s PRO 11 N -3.68 3.59 -0.30 -1.68 0.04 -1.26 -2.37 135.00 129.34 1cyu s PRO 11 Ca 0.34 0.58 -0.09 0.00 0.04 0.00 0.00 61.00 61.86 1cyu s PRO 11 Cb 0.02 -3.99 0.01 0.00 0.04 0.00 0.00 34.50 30.59 1cyu s PRO 11 CO 0.18 -1.56 0.30 0.00 0.04 0.00 0.00 177.00 175.96 1cyu n ALA 12 N 8.43 -1.73 -0.82 8.56 0.00 -0.19 -4.79 120.51 129.97 1cyu n ALA 12 Ca 0.12 0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.23 1cyu n ALA 12 Cb 0.49 -0.69 0.11 0.00 0.00 0.00 0.00 19.45 19.36 1cyu n ALA 12 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1cyu n THR 13 N -0.80 0.00 0.95 0.00 -2.24 -1.26 -4.56 114.28 106.37 1cyu n THR 13 Ca -0.10 -0.24 0.10 0.00 -2.27 0.00 0.00 64.05 61.54 1cyu n THR 13 Cb 0.33 -0.40 0.51 0.00 -2.10 0.00 0.00 70.33 68.68 1cyu n THR 13 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1cyu n PRO 14 N -0.36 0.26 -0.09 -0.78 -0.04 -1.26 -1.88 135.00 130.84 1cyu n PRO 14 Ca 0.01 0.10 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 1cyu n PRO 14 Cb 0.62 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.53 -0.24 0.54 2.13 -1.26 -3.98 120.64 117.05 1cyu n GLU 15 Ca 0.09 0.23 0.04 0.00 0.66 0.00 0.00 57.16 58.19 1cyu n GLU 15 Cb 0.18 -1.45 0.16 0.00 0.27 0.00 0.00 31.44 30.60 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 -1.00 0.63 -0.22 6.31 1.08 -1.88 0.29 117.51 122.72 1cyu h ILE 16 Ca -0.02 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.31 1cyu h ILE 16 Cb 0.98 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 1cyu h ILE 16 CO -0.01 0.07 0.06 0.06 -0.69 0.00 0.00 178.15 177.63 1cyu h GLN 17 N 0.36 0.31 0.00 2.37 3.07 -1.61 0.32 115.11 119.93 1cyu h GLN 17 Ca 0.39 -0.04 -0.01 0.00 0.09 0.00 0.00 58.65 59.08 1cyu h GLN 17 Cb 0.59 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 28.09 1cyu h GLN 17 CO -0.42 0.29 -0.04 1.49 0.09 0.00 0.00 178.83 180.24 1cyu h GLU 18 N 0.31 0.00 -0.17 0.06 4.81 -0.55 0.24 114.58 119.28 1cyu h GLU 18 Ca 0.08 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 1cyu h GLU 18 Cb 0.12 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1cyu h GLU 18 CO -0.00 0.04 -0.35 0.97 -0.73 0.00 0.00 179.01 178.94 1cyu h ILE 19 N 0.00 1.29 0.00 2.32 -0.00 -0.67 -0.75 117.51 119.69 1cyu h ILE 19 Ca -0.00 -1.41 0.00 0.00 -0.00 0.00 0.00 64.86 63.45 1cyu h ILE 19 Cb 0.08 1.55 0.00 0.00 -0.00 0.00 0.00 36.82 38.44 1cyu h ILE 19 CO 0.01 0.43 0.00 0.52 -0.00 0.00 0.00 178.15 179.11 1cyu n VAL 20 N -4.07 0.16 -0.05 2.19 0.31 0.81 -1.08 118.33 116.60 1cyu n VAL 20 Ca -0.01 0.04 0.02 0.00 -0.01 0.00 0.00 64.34 64.37 1cyu n VAL 20 Cb 0.45 -0.67 -0.16 0.00 -0.91 0.00 0.00 33.84 32.54 1cyu n VAL 20 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1cyu n ASP 21 N -1.14 0.10 -0.08 4.52 2.03 -0.31 -3.28 116.55 118.38 1cyu n ASP 21 Ca 0.14 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.29 1cyu n ASP 21 Cb 0.13 1.54 -0.06 0.00 -0.72 0.00 0.00 41.12 42.01 1cyu n ASP 21 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1cyu n LYS 22 N -2.46 0.34 0.14 -0.67 0.00 -1.08 -3.79 118.16 110.65 1cyu n LYS 22 Ca -0.16 0.13 0.10 0.00 -0.00 0.00 0.00 58.31 58.38 1cyu n LYS 22 Cb 0.82 -1.11 0.06 0.00 -0.00 0.00 0.00 35.03 34.80 1cyu n LYS 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1cyu h VAL 23 N -0.45 0.11 -1.43 0.58 2.07 -1.37 -3.34 116.25 112.42 1cyu h VAL 23 Ca -0.38 -1.19 -0.50 0.00 0.82 0.00 0.00 66.70 65.45 1cyu h VAL 23 Cb 1.38 1.81 -0.41 0.00 -1.52 0.00 0.00 31.29 32.55 1cyu h VAL 23 CO -0.20 0.06 -0.93 0.29 0.02 0.00 0.00 177.57 176.81 1cyu n LYS 24 N -2.90 2.40 0.00 1.57 4.76 -1.12 -4.84 118.16 118.04 1cyu n LYS 24 Ca 0.01 -4.00 0.06 0.00 -2.87 0.00 0.00 58.31 51.51 1cyu n LYS 24 Cb 0.58 -1.84 0.38 0.00 -1.84 0.00 0.00 35.03 32.31 1cyu n LYS 24 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1cyu n PRO 25 N -0.25 0.71 -0.00 1.97 -0.04 -1.21 -1.04 135.00 135.13 1cyu n PRO 25 Ca 0.26 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.71 1cyu n PRO 25 Cb 0.70 -1.28 -0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.78 0.02 0.08 0.54 6.02 -1.26 -4.41 117.38 117.58 1cyu n GLN 26 Ca 0.10 0.01 0.07 0.00 -0.01 0.00 0.00 57.00 57.17 1cyu n GLN 26 Cb 0.04 -0.68 0.35 0.00 1.02 0.00 0.00 30.24 30.97 1cyu n GLN 26 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1cyu n LEU 27 N -2.88 0.32 0.01 1.08 4.77 -1.18 -0.36 117.00 118.77 1cyu n LEU 27 Ca -0.02 0.62 0.11 0.00 -0.03 0.00 0.00 56.01 56.69 1cyu n LEU 27 Cb 0.51 -0.62 0.08 0.00 -2.33 0.00 0.00 43.42 41.06 1cyu n LEU 27 CO 0.00 -0.60 0.15 1.21 -1.33 0.00 0.00 177.39 176.83 1cyu n GLU 28 N -1.89 0.14 -0.80 3.23 0.00 -0.21 -4.29 120.64 116.82 1cyu n GLU 28 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.18 1cyu n GLU 28 Cb 0.09 -1.55 0.00 0.00 0.00 0.00 0.00 31.44 29.99 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 -1.73 0.00 -0.08 5.31 0.28 -0.40 -4.60 120.64 119.42 1cyu n GLU 29 Ca 0.04 -1.23 -0.08 0.00 -0.16 0.00 0.00 57.16 55.72 1cyu n GLU 29 Cb 0.38 -0.30 -0.03 0.00 1.43 0.00 0.00 31.44 32.93 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 0.14 0.46 -0.43 3.44 0.00 0.52 -4.23 118.16 118.06 1cyu n LYS 30 Ca 0.01 0.18 0.40 0.00 0.00 0.00 0.00 58.31 58.91 1cyu n LYS 30 Cb 0.82 -1.31 0.77 0.00 0.00 0.00 0.00 35.03 35.31 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 -0.87 0.30 -6.65 3.15 1.03 -1.78 -3.43 112.91 104.66 1cyu h THR 31 Ca 0.00 -0.00 -0.53 0.00 -0.01 0.00 0.00 66.41 65.87 1cyu h THR 31 Cb 0.87 0.29 -0.27 0.00 -1.07 0.00 0.00 68.15 67.97 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 -4.12 -0.62 -4.81 0.00 0.23 -1.26 -4.86 115.26 99.82 1cyu n ASN 32 Ca 0.31 -1.07 -0.32 0.00 -0.53 0.00 0.00 54.58 52.97 1cyu n ASN 32 Cb 1.46 -1.35 0.02 0.00 -2.08 0.00 0.00 39.78 37.83 1cyu n ASN 32 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1cyu s GLU 33 N -6.47 3.20 -0.20 -3.83 2.56 -1.26 -4.91 118.70 107.80 1cyu s GLU 33 Ca 0.43 1.08 -0.02 0.00 0.00 0.00 0.00 54.97 56.46 1cyu s GLU 33 Cb -0.25 -2.02 0.05 0.00 2.00 0.00 0.00 34.13 33.91 1cyu s GLU 33 CO 0.86 -0.90 2.38 -2.37 -0.56 0.00 0.00 175.26 174.68 1cyu n THR 34 N -2.47 2.67 -2.16 -1.70 5.66 -1.26 -4.81 114.28 110.21 1cyu n THR 34 Ca 0.08 -1.51 0.00 0.00 -3.05 0.00 0.00 64.05 59.57 1cyu n THR 34 Cb 0.53 -1.53 0.00 0.00 -1.55 0.00 0.00 70.33 67.78 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 1.10 0.00 -3.21 1.09 4.01 -1.26 -5.07 117.16 113.82 1cyu n TYR 35 Ca 0.26 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.69 1cyu n TYR 35 Cb 0.60 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.58 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 5.12 1.40 2.72 0.00 -1.26 -4.68 105.19 108.49 1cyu n GLY 36 Ca 0.00 -2.75 0.03 0.00 0.00 0.00 0.00 46.02 43.30 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 0.69 0.69 -2.81 1.61 4.01 -1.26 -4.86 118.16 116.23 1cyu n LYS 37 Ca 0.30 -2.55 -0.31 0.00 -0.51 0.00 0.00 58.31 55.25 1cyu n LYS 37 Cb 0.38 -0.64 -0.02 0.00 -0.51 0.00 0.00 35.03 34.24 1cyu n LYS 37 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1cyu n LEU 38 N -0.06 5.28 0.00 -0.35 7.99 -1.26 0.40 117.00 129.00 1cyu n LEU 38 Ca 0.11 -5.57 0.00 0.00 -0.01 0.00 0.00 56.01 50.54 1cyu n LEU 38 Cb 0.99 -0.71 0.00 0.00 -0.11 0.00 0.00 43.42 43.59 1cyu n LEU 38 CO -0.01 2.26 0.00 -0.62 -1.51 0.00 0.00 177.39 177.51 1cyu n GLU 39 N -0.23 0.00 -1.56 3.23 4.71 -1.11 -4.78 120.64 120.91 1cyu n GLU 39 Ca 0.36 0.00 -0.32 0.00 -0.01 0.00 0.00 57.16 57.19 1cyu n GLU 39 Cb 0.37 0.00 0.06 0.00 -1.01 0.00 0.00 31.44 30.87 1cyu n GLU 39 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1cyu s ALA 40 N -1.00 2.42 -0.23 0.62 0.00 -1.26 -0.09 121.76 122.22 1cyu s ALA 40 Ca 0.00 0.37 0.07 0.00 0.00 0.00 0.00 51.96 52.41 1cyu s ALA 40 Cb 0.00 -3.28 -0.19 0.00 0.00 0.00 0.00 23.12 19.65 1cyu s ALA 40 CO 0.00 -1.44 -0.12 1.55 0.00 0.00 0.00 175.76 175.75 1cyu n VAL 41 N -2.91 1.42 0.00 0.00 3.14 0.21 -3.86 118.33 116.33 1cyu n VAL 41 Ca 0.09 -0.65 0.00 0.00 -2.96 0.00 0.00 64.34 60.82 1cyu n VAL 41 Cb 0.53 -1.08 0.00 0.00 -1.06 0.00 0.00 33.84 32.23 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 -3.06 0.00 -3.59 1.45 0.00 -0.21 -1.02 117.38 110.95 1cyu n GLN 42 Ca -0.40 0.00 -0.15 0.00 -0.00 0.00 0.00 57.00 56.44 1cyu n GLN 42 Cb 1.04 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 31.14 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 -0.36 0.21 3.69 1.13 -1.00 -0.59 117.35 118.43 1cyu s TYR 43 Ca 0.00 0.68 -0.05 0.00 -1.41 0.00 0.00 57.07 56.29 1cyu s TYR 43 Cb 0.00 -0.17 -0.05 0.00 -1.10 0.00 0.00 41.96 40.64 1cyu s TYR 43 CO 0.00 -0.44 0.46 -1.59 -2.51 0.00 0.00 175.55 171.47 1cyu s LYS 44 N 2.38 3.63 -0.16 -3.49 0.00 -0.29 -2.86 119.74 118.95 1cyu s LYS 44 Ca 0.04 -0.05 0.01 0.00 0.00 0.00 0.00 55.97 55.97 1cyu s LYS 44 Cb -0.13 -2.75 0.01 0.00 0.00 0.00 0.00 37.83 34.95 1cyu s LYS 44 CO -0.10 0.35 -0.18 0.95 0.00 0.00 0.00 175.35 176.38 1cyu s THR 45 N -1.85 2.38 -0.11 3.79 -4.23 0.07 -1.48 115.64 114.21 1cyu s THR 45 Ca 0.42 -0.86 -0.04 0.00 -1.18 0.00 0.00 61.69 60.03 1cyu s THR 45 Cb -0.11 -1.99 0.05 0.00 1.34 0.00 0.00 72.50 71.79 1cyu s THR 45 CO 0.26 0.53 0.23 0.00 -0.54 0.00 0.00 174.62 175.10 1cyu s GLN 46 N 0.97 0.13 0.00 3.99 -2.07 -0.95 -4.80 119.66 116.94 1cyu s GLN 46 Ca -0.03 0.62 0.00 0.00 -1.82 0.00 0.00 55.36 54.14 1cyu s GLN 46 Cb -0.15 -0.12 0.00 0.00 -1.09 0.00 0.00 33.01 31.66 1cyu s GLN 46 CO -0.04 -0.25 0.00 1.55 -1.32 0.00 0.00 175.29 175.23 1cyu n VAL 47 N 4.96 0.00 0.00 3.63 3.14 -1.26 0.03 118.33 128.82 1cyu n VAL 47 Ca -0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 1cyu n VAL 47 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 1cyu n VAL 47 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1cyu n VAL 48 N -0.66 0.00 0.00 1.55 3.14 -1.26 -3.20 118.33 117.89 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 2.04 0.00 0.00 0.00 -1.16 0.28 105.19 106.35 1cyu n GLY 50 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.81 2.61 -1.04 -1.26 -4.61 114.28 107.17 1cyu n THR 51 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 1cyu n THR 51 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 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 6.74 -0.03 8.00 3.84 0.10 -3.01 114.94 130.59 1cyu s ASN 52 Ca 0.00 1.45 0.02 0.00 0.21 0.00 0.00 52.86 54.54 1cyu s ASN 52 Cb 0.00 -2.45 0.01 0.00 -0.55 0.00 0.00 41.25 38.26 1cyu s ASN 52 CO 0.00 -0.38 -0.06 -0.31 -2.79 0.00 0.00 177.10 173.56 1cyu s TYR 53 N -2.27 0.71 -0.65 0.43 2.02 0.27 -2.23 117.35 115.63 1cyu s TYR 53 Ca 0.57 -0.17 -0.01 0.00 -0.37 0.00 0.00 57.07 57.09 1cyu s TYR 53 Cb -0.10 -0.57 0.17 0.00 -0.40 0.00 0.00 41.96 41.06 1cyu s TYR 53 CO 0.22 -0.12 0.46 -0.47 -1.57 0.00 0.00 175.55 174.07 1cyu s TYR 54 N 0.47 3.44 -0.80 2.71 5.04 -0.55 -0.64 117.35 127.02 1cyu s TYR 54 Ca -0.06 -2.86 -0.17 0.00 -2.44 0.00 0.00 57.07 51.53 1cyu s TYR 54 Cb -0.10 -3.12 0.15 0.00 0.35 0.00 0.00 41.96 39.24 1cyu s TYR 54 CO 0.00 -0.79 0.88 0.42 -1.34 0.00 0.00 175.55 174.72 1cyu s ILE 55 N -0.36 5.06 -0.42 3.14 1.09 0.12 -1.13 121.20 128.69 1cyu s ILE 55 Ca 0.19 -1.72 -0.29 0.00 -1.10 0.00 0.00 60.65 57.73 1cyu s ILE 55 Cb -0.19 -4.59 0.02 0.00 -1.06 0.00 0.00 42.46 36.64 1cyu s ILE 55 CO -0.05 -1.23 1.25 -0.75 -0.10 0.00 0.00 174.94 174.06 1cyu s LYS 56 N 1.81 3.72 0.18 2.79 2.20 0.25 -0.29 119.74 130.40 1cyu s LYS 56 Ca 0.21 0.82 -0.21 0.00 -0.36 0.00 0.00 55.97 56.44 1cyu s LYS 56 Cb -0.12 -3.94 -0.08 0.00 -1.51 0.00 0.00 37.83 32.18 1cyu s LYS 56 CO -0.05 -1.39 0.70 0.54 -0.36 0.00 0.00 175.35 174.80 1cyu s VAL 57 N 4.75 4.57 0.01 4.02 0.11 -0.93 -0.62 120.40 132.31 1cyu s VAL 57 Ca 0.54 1.34 -0.18 0.00 -2.93 0.00 0.00 61.98 60.75 1cyu s VAL 57 Cb -0.11 -3.92 -0.06 0.00 -1.53 0.00 0.00 36.38 30.76 1cyu s VAL 57 CO 0.30 0.33 0.51 -0.60 -3.33 0.00 0.00 175.10 172.30 1cyu s ARG 58 N -1.67 4.14 -0.10 1.54 3.52 0.87 -1.43 118.95 125.82 1cyu s ARG 58 Ca 0.39 0.59 0.15 0.00 -0.13 0.00 0.00 55.73 56.73 1cyu s ARG 58 Cb -0.18 -3.27 0.34 0.00 -1.56 0.00 0.00 34.95 30.27 1cyu s ARG 58 CO 0.22 0.55 1.16 0.00 -0.81 0.00 0.00 175.30 176.42 1cyu n ALA 59 N 2.17 2.78 0.00 6.12 0.00 -1.13 -2.74 120.51 127.71 1cyu n ALA 59 Ca -0.11 -2.57 0.00 0.00 0.00 0.00 0.00 53.44 50.76 1cyu n ALA 59 Cb 0.51 -0.49 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 -0.56 0.10 0.53 0.00 0.00 1.32 -3.72 105.19 102.86 1cyu n GLY 60 Ca 0.12 -2.14 0.11 0.00 0.00 0.00 0.00 46.02 44.11 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 2.10 0.00 1.61 -0.08 -1.26 -4.51 116.55 114.40 1cyu n ASP 61 Ca 0.00 -1.55 0.00 0.00 -1.51 0.00 0.00 54.79 51.73 1cyu n ASP 61 Cb 0.00 0.45 0.00 0.00 2.34 0.00 0.00 41.12 43.91 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 0.07 2.61 -4.91 1.67 6.94 -1.26 -5.06 115.26 115.33 1cyu n ASN 62 Ca 0.10 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.37 1cyu n ASN 62 Cb 0.48 0.18 -0.03 0.00 -2.36 0.00 0.00 39.78 38.05 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 -1.56 3.62 -0.28 -3.83 1.02 -1.24 -4.35 119.74 113.11 1cyu s LYS 63 Ca 0.00 -0.05 -0.22 0.00 0.02 0.00 0.00 55.97 55.72 1cyu s LYS 63 Cb 0.00 -2.69 0.10 0.00 -0.52 0.00 0.00 37.83 34.73 1cyu s LYS 63 CO 0.00 0.26 0.87 0.71 -0.92 0.00 0.00 175.35 176.27 1cyu s TYR 64 N -2.02 -0.68 0.22 3.18 2.02 -1.26 -2.83 117.35 115.97 1cyu s TYR 64 Ca 0.43 1.55 0.00 0.00 -0.37 0.00 0.00 57.07 58.68 1cyu s TYR 64 Cb -0.11 0.38 -0.00 0.00 -0.40 0.00 0.00 41.96 41.83 1cyu s TYR 64 CO 0.29 -0.33 0.00 1.28 -1.57 0.00 0.00 175.55 175.22 1cyu n LEU 65 N 2.93 0.00 -3.54 -1.29 4.32 -0.51 -2.93 117.00 115.98 1cyu n LEU 65 Ca -0.15 -1.38 -0.12 0.00 -0.02 0.00 0.00 56.01 54.34 1cyu n LEU 65 Cb 0.56 0.16 -0.04 0.00 -1.62 0.00 0.00 43.42 42.48 1cyu n LEU 65 CO 0.02 -0.20 0.67 -2.28 -1.22 0.00 0.00 177.39 174.38 1cyu s HIS 66 N -1.80 -0.43 0.14 -1.77 2.46 -1.19 -2.18 115.29 110.51 1cyu s HIS 66 Ca 0.00 0.63 -0.15 0.00 0.47 0.00 0.00 55.06 56.02 1cyu s HIS 66 Cb 0.00 0.47 0.02 0.00 -0.13 0.00 0.00 32.58 32.94 1cyu s HIS 66 CO 0.00 -0.47 0.39 -1.17 -2.47 0.00 0.00 174.74 171.02 1cyu s LEU 67 N -1.51 0.53 -0.30 8.88 2.96 0.60 0.17 118.68 130.00 1cyu s LEU 67 Ca -0.02 -0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 53.41 1cyu s LEU 67 Cb -0.00 1.73 0.10 0.00 0.50 0.00 0.00 46.19 48.51 1cyu s LEU 67 CO 0.00 -0.88 0.11 -0.75 -1.32 0.00 0.00 176.35 173.50 1cyu s LYS 68 N -3.85 0.57 -0.01 1.98 2.36 -1.16 0.12 119.74 119.75 1cyu s LYS 68 Ca 0.06 -0.91 -0.27 0.00 -2.55 0.00 0.00 55.97 52.31 1cyu s LYS 68 Cb 0.02 -1.76 -0.04 0.00 -1.05 0.00 0.00 37.83 35.00 1cyu s LYS 68 CO -0.09 -0.99 0.83 0.08 1.55 0.00 0.00 175.35 176.74 1cyu s VAL 69 N 1.76 4.88 -0.09 4.02 1.01 0.19 -3.29 120.40 128.87 1cyu s VAL 69 Ca 0.09 1.74 -0.02 0.00 0.00 0.00 0.00 61.98 63.80 1cyu s VAL 69 Cb -0.17 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 32.07 1cyu s VAL 69 CO -0.28 0.25 0.01 0.12 0.00 0.00 0.00 175.10 175.20 1cyu s PHE 70 N 0.63 0.68 -1.27 5.22 5.36 0.13 0.93 117.98 129.66 1cyu s PHE 70 Ca 0.43 -0.25 -0.11 0.00 -0.96 0.00 0.00 56.93 56.04 1cyu s PHE 70 Cb -0.20 -0.82 0.16 0.00 -0.34 0.00 0.00 43.02 41.82 1cyu s PHE 70 CO 0.23 -0.37 1.76 1.63 -1.46 0.00 0.00 175.22 177.01 1cyu n LYS 71 N 5.14 3.49 -1.03 10.12 5.02 -1.16 -0.08 118.16 139.67 1cyu n LYS 71 Ca -0.07 -3.57 -0.42 0.00 -2.02 0.00 0.00 58.31 52.23 1cyu n LYS 71 Cb 0.50 -3.00 -0.10 0.00 -0.02 0.00 0.00 35.03 32.41 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 4.69 0.48 -2.82 4.39 7.64 -1.23 -4.35 113.62 122.41 1cyu n SER 72 Ca 0.40 0.41 -0.11 0.00 1.01 0.00 0.00 58.87 60.58 1cyu n SER 72 Cb 0.39 -0.70 0.06 0.00 -1.01 0.00 0.00 64.21 62.95 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 6.50 -1.14 -2.28 -3.43 0.00 -1.01 -3.74 117.00 111.90 1cyu n LEU 73 Ca 0.45 -3.96 -0.18 0.00 0.00 0.00 0.00 56.01 52.32 1cyu n LEU 73 Cb -0.02 0.65 -0.13 0.00 0.00 0.00 0.00 43.42 43.92 1cyu n LEU 73 CO 0.70 2.04 1.89 -0.81 0.00 0.00 0.00 177.39 181.21 1cyu n PRO 74 N 0.11 2.35 0.00 1.96 -0.04 0.79 -2.98 135.00 137.18 1cyu n PRO 74 Ca 0.09 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 1cyu n PRO 74 Cb 0.73 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 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 2.45 2.16 0.11 0.55 0.00 -1.26 -4.68 105.19 104.52 1cyu n GLY 75 Ca 0.49 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 0.19 -5.54 1.61 4.15 -1.94 -3.49 115.11 110.09 1cyu h GLN 76 Ca 0.00 -0.32 -0.07 0.00 0.77 0.00 0.00 58.65 59.02 1cyu h GLN 76 Cb 0.00 0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1cyu h GLN 76 CO 0.00 1.00 -0.47 -1.71 -1.93 0.00 0.00 178.83 175.72 1cyu n ASN 77 N -3.37 -7.46 -3.56 -0.69 4.05 -1.26 -4.98 115.26 97.99 1cyu n ASN 77 Ca -0.18 0.20 -0.27 0.00 0.45 0.00 0.00 54.58 54.78 1cyu n ASN 77 Cb 1.04 -4.73 -0.10 0.00 1.23 0.00 0.00 39.78 37.21 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 -0.85 1.17 -0.01 1.20 -0.58 -1.25 -5.00 120.64 115.32 1cyu n GLU 78 Ca 0.04 -3.87 0.00 0.00 -0.42 0.00 0.00 57.16 52.91 1cyu n GLU 78 Cb 0.51 -1.92 -0.00 0.00 -0.57 0.00 0.00 31.44 29.46 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 2.08 -0.06 0.00 1.62 2.03 -1.26 -4.99 116.55 115.96 1cyu n ASP 79 Ca 0.25 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1cyu n ASP 79 Cb 0.43 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 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 -2.41 0.00 0.00 -2.67 -0.00 -1.26 -3.56 117.00 107.10 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 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.43 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 -3.26 1.47 0.31 0.89 -4.38 118.33 113.36 1cyu n VAL 81 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.09 1cyu n VAL 81 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 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 -0.40 0.01 7.52 4.32 -1.26 -0.69 117.00 126.50 1cyu n LEU 82 Ca 0.00 -4.42 0.01 0.00 -0.02 0.00 0.00 56.01 51.57 1cyu n LEU 82 Cb 0.00 0.60 0.03 0.00 -1.62 0.00 0.00 43.42 42.43 1cyu n LEU 82 CO 0.00 1.96 0.52 0.41 -1.22 0.00 0.00 177.39 179.05 1cyu n THR 83 N 2.21 1.61 -4.34 -5.08 -1.04 -1.24 -4.45 114.28 101.95 1cyu n THR 83 Ca 0.25 0.51 -0.31 0.00 -2.04 0.00 0.00 64.05 62.46 1cyu n THR 83 Cb 0.51 -1.51 -0.10 0.00 -1.82 0.00 0.00 70.33 67.41 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 -2.86 1.80 0.00 3.41 0.00 -1.21 -4.81 107.32 103.65 1cyu s GLY 84 Ca -0.00 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.64 1cyu s GLY 84 CO 0.01 -0.98 0.00 1.58 0.00 0.00 0.00 173.10 173.71 1cyu n TYR 85 N 1.19 0.00 -3.49 1.90 4.11 -1.19 -2.98 117.16 116.71 1cyu n TYR 85 Ca -0.14 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.61 1cyu n TYR 85 Cb 0.52 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.82 1cyu n TYR 85 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1cyu s GLN 86 N 0.00 1.11 0.00 -3.48 -1.52 0.13 -4.90 119.66 111.00 1cyu s GLN 86 Ca 0.00 -0.02 0.00 0.00 -1.95 0.00 0.00 55.36 53.39 1cyu s GLN 86 Cb 0.00 0.52 0.00 0.00 -0.22 0.00 0.00 33.01 33.31 1cyu s GLN 86 CO 0.00 -0.41 0.00 1.55 -0.25 0.00 0.00 175.29 176.18 1cyu n VAL 87 N 0.40 0.00 -0.13 1.09 3.14 -1.26 -3.16 118.33 118.41 1cyu n VAL 87 Ca -0.18 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 1cyu n VAL 87 Cb 0.60 -0.52 0.00 0.00 -1.06 0.00 0.00 33.84 32.86 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 0.00 0.00 0.00 6.55 5.75 -1.25 -3.36 116.55 124.24 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 0.00 0.11 0.00 -1.26 -3.82 118.16 113.19 1cyu n LYS 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1cyu n LYS 89 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 2.52 0.00 -0.12 3.14 2.04 -1.26 -4.48 115.26 117.10 1cyu n ASN 90 Ca 0.00 0.00 -0.20 0.00 -0.44 0.00 0.00 54.58 53.94 1cyu n ASN 90 Cb 0.00 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.15 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 0.56 -0.17 -3.83 4.01 -1.25 -4.26 118.16 113.23 1cyu n LYS 91 Ca 0.00 0.17 0.03 0.00 -0.51 0.00 0.00 58.31 58.00 1cyu n LYS 91 Cb 0.00 -1.44 0.11 0.00 -0.51 0.00 0.00 35.03 33.19 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 -3.55 1.61 -4.62 4.39 2.03 -1.15 -4.89 116.55 110.36 1cyu n ASP 92 Ca -0.45 -2.10 -0.51 0.00 0.52 0.00 0.00 54.79 52.26 1cyu n ASP 92 Cb 0.91 -0.29 -0.06 0.00 -0.72 0.00 0.00 41.12 40.96 1cyu n ASP 92 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1cyu n ASP 93 N 0.16 2.89 -2.68 1.67 -0.08 -1.26 -4.81 116.55 112.44 1cyu n ASP 93 Ca 0.08 0.80 -0.05 0.00 -1.51 0.00 0.00 54.79 54.11 1cyu n ASP 93 Cb 0.31 -1.31 0.06 0.00 2.34 0.00 0.00 41.12 42.52 1cyu n ASP 93 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1cyu n GLU 94 N 6.95 0.23 -1.64 -0.67 1.02 -1.26 -5.07 120.64 120.19 1cyu n GLU 94 Ca 0.29 -0.92 -0.15 0.00 -0.02 0.00 0.00 57.16 56.35 1cyu n GLU 94 Cb 0.25 -0.37 -0.07 0.00 -0.02 0.00 0.00 31.44 31.24 1cyu n GLU 94 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1cyu s LEU 95 N 0.14 2.83 0.07 -4.62 1.43 -1.26 -4.87 118.68 112.40 1cyu s LEU 95 Ca 0.26 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 1cyu s LEU 95 Cb 0.18 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 1cyu s LEU 95 CO -0.11 -3.87 -0.09 0.42 0.23 0.00 0.00 176.35 172.93 1cyu s THR 96 N 14.53 0.75 0.00 5.49 -4.23 -1.26 -5.03 115.64 125.88 1cyu s THR 96 Ca 0.88 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 1cyu s THR 96 Cb -0.11 -1.02 0.00 0.00 1.34 0.00 0.00 72.50 72.71 1cyu s THR 96 CO 0.08 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1cyu n GLY 97 N 0.99 2.61 0.00 3.99 0.00 -1.26 -4.93 105.19 106.58 1cyu n GLY 97 Ca -0.19 0.34 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1cyu n GLY 97 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65