#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cyu n ILE 2 N 0.00 -0.64 -1.76 3.17 0.13 -1.26 -5.13 119.36 113.87 1cyu n ILE 2 Ca 0.00 -2.70 -0.31 0.00 -1.10 0.00 0.00 62.75 58.64 1cyu n ILE 2 Cb 0.00 -0.64 0.03 0.00 -0.84 0.00 0.00 39.64 38.18 1cyu n ILE 2 CO 0.00 0.00 0.00 -2.16 2.80 0.00 0.00 176.55 177.19 1cyu s PRO 3 N 0.07 3.30 -1.11 9.51 0.04 -1.26 -4.98 135.00 140.56 1cyu s PRO 3 Ca 0.33 0.81 -0.14 0.00 0.04 0.00 0.00 61.00 62.03 1cyu s PRO 3 Cb 0.09 -2.04 0.17 0.00 0.04 0.00 0.00 34.50 32.76 1cyu s PRO 3 CO -0.15 -0.80 1.30 0.20 0.04 0.00 0.00 177.00 177.58 1cyu s GLY 4 N -4.05 2.39 -1.41 0.56 0.00 -1.24 -4.52 107.32 99.06 1cyu s GLY 4 Ca 0.56 -3.27 -0.03 0.00 0.00 0.00 0.00 44.72 41.98 1cyu s GLY 4 CO 0.54 1.93 0.37 0.61 0.00 0.00 0.00 173.10 176.56 1cyu n GLY 5 N 4.30 -0.29 0.00 0.20 0.00 -1.26 -4.71 105.19 103.43 1cyu n GLY 5 Ca 0.31 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -4.45 0.00 0.00 0.99 7.94 -1.26 -4.16 117.00 116.05 1cyu n LEU 6 Ca -0.29 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.61 1cyu n LEU 6 Cb 0.68 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.63 1cyu n LEU 6 CO 0.76 -0.01 0.00 -1.20 -1.11 0.00 0.00 177.39 175.83 1cyu n SER 7 N -0.08 0.00 -4.46 1.96 7.64 -1.26 -3.66 113.62 113.76 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 4.00 0.00 1.43 2.02 -1.26 -4.91 118.70 119.98 1cyu s GLU 8 Ca 0.00 -2.44 0.00 0.00 0.02 0.00 0.00 54.97 52.55 1cyu s GLU 8 Cb 0.00 -5.02 0.00 0.00 0.10 0.00 0.00 34.13 29.21 1cyu s GLU 8 CO 0.00 -1.76 0.00 0.00 0.02 0.00 0.00 175.26 173.52 1cyu n ALA 9 N 5.76 0.00 -2.40 5.21 0.00 -1.24 -1.11 120.51 126.72 1cyu n ALA 9 Ca 0.34 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.58 1cyu n ALA 9 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 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 1.51 -0.49 0.00 1.02 -1.14 -4.91 119.74 113.73 1cyu s LYS 10 Ca 0.00 -1.78 -0.29 0.00 0.02 0.00 0.00 55.97 53.93 1cyu s LYS 10 Cb 0.00 -0.96 0.02 0.00 -0.52 0.00 0.00 37.83 36.38 1cyu s LYS 10 CO 0.00 -0.04 1.23 -1.25 -0.92 0.00 0.00 175.35 174.37 1cyu s PRO 11 N -3.79 3.62 0.00 -1.68 0.04 -1.26 -2.18 135.00 129.75 1cyu s PRO 11 Ca 0.30 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1cyu s PRO 11 Cb 0.05 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1cyu s PRO 11 CO 0.12 -1.52 0.00 0.00 0.04 0.00 0.00 177.00 175.64 1cyu n ALA 12 N 8.30 -1.14 -1.44 8.56 0.00 -0.34 -4.82 120.51 129.63 1cyu n ALA 12 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.27 1cyu n ALA 12 Cb 0.49 -0.24 0.17 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.14 1.93 -1.47 0.00 -4.23 -1.26 -4.76 115.64 105.70 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 -2.69 0.39 0.00 1.34 0.00 0.00 72.50 71.54 1cyu s THR 13 CO 0.00 0.00 1.68 -0.81 -0.54 0.00 0.00 174.62 174.95 1cyu n PRO 14 N -4.02 0.33 -0.05 3.99 -0.04 -1.26 -1.71 135.00 132.23 1cyu n PRO 14 Ca 0.09 0.08 -0.06 0.00 -0.04 0.00 0.00 63.50 63.57 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 -1.26 0.33 -0.22 0.54 2.13 -1.26 -4.11 120.64 116.78 1cyu n GLU 15 Ca 0.11 0.13 0.03 0.00 0.66 0.00 0.00 57.16 58.08 1cyu n GLU 15 Cb 0.16 -1.06 0.14 0.00 0.27 0.00 0.00 31.44 30.95 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 -0.62 0.63 -0.38 6.31 1.08 -1.92 0.24 117.51 122.84 1cyu h ILE 16 Ca 0.00 -0.11 0.02 0.00 -0.39 0.00 0.00 64.86 64.38 1cyu h ILE 16 Cb 0.62 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 1cyu h ILE 16 CO 0.00 0.06 0.26 0.06 -0.69 0.00 0.00 178.15 177.83 1cyu h GLN 17 N 0.31 0.43 -0.07 2.37 3.07 -1.58 0.66 115.11 120.31 1cyu h GLN 17 Ca 0.36 -0.03 -0.02 0.00 0.09 0.00 0.00 58.65 59.05 1cyu h GLN 17 Cb 0.54 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 28.00 1cyu h GLN 17 CO -0.42 0.28 -0.04 1.49 0.09 0.00 0.00 178.83 180.24 1cyu h GLU 18 N 0.44 0.10 -0.38 0.06 4.57 -0.67 0.07 114.58 118.77 1cyu h GLU 18 Ca 0.15 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.24 1cyu h GLU 18 Cb 0.06 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1cyu h GLU 18 CO -0.03 0.14 -0.08 0.97 -1.18 0.00 0.00 179.01 178.83 1cyu h ILE 19 N 0.10 1.24 0.00 2.32 -0.00 -0.63 -0.20 117.51 120.33 1cyu h ILE 19 Ca 0.02 -1.03 0.00 0.00 -0.00 0.00 0.00 64.86 63.85 1cyu h ILE 19 Cb 0.13 1.03 0.00 0.00 -0.00 0.00 0.00 36.82 37.98 1cyu h ILE 19 CO 0.01 0.35 0.00 0.58 -0.00 0.00 0.00 178.15 179.08 1cyu h VAL 20 N 0.60 0.00 0.00 2.19 2.07 -0.84 -0.96 116.25 119.31 1cyu h VAL 20 Ca 0.11 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1cyu h VAL 20 Cb 0.49 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1cyu h VAL 20 CO 0.03 0.00 -1.39 -0.67 0.02 0.00 0.00 177.57 175.56 1cyu n ASP 21 N -2.61 0.65 0.00 0.57 2.03 -0.21 -3.37 116.55 113.61 1cyu n ASP 21 Ca -0.00 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 54.77 1cyu n ASP 21 Cb 0.16 1.42 0.00 0.00 -0.72 0.00 0.00 41.12 41.98 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 -1.80 0.00 0.00 -0.67 3.00 -0.40 -3.77 118.16 114.51 1cyu n LYS 22 Ca 0.00 0.21 0.14 0.00 -0.00 0.00 0.00 58.31 58.66 1cyu n LYS 22 Cb 0.41 -0.65 0.62 0.00 0.00 0.00 0.00 35.03 35.41 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 -1.79 0.00 -2.56 3.15 0.31 -0.96 -3.89 118.33 112.59 1cyu n VAL 23 Ca 0.00 -0.08 -0.19 0.00 -0.01 0.00 0.00 64.34 64.06 1cyu n VAL 23 Cb 0.00 -0.04 0.01 0.00 -0.91 0.00 0.00 33.84 32.90 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 -0.82 2.42 0.00 5.55 4.01 -1.21 -4.84 118.16 123.27 1cyu n LYS 24 Ca 0.16 -3.96 0.05 0.00 -0.51 0.00 0.00 58.31 54.04 1cyu n LYS 24 Cb 0.27 -1.81 0.28 0.00 -0.51 0.00 0.00 35.03 33.27 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 -0.29 0.62 0.00 1.97 -0.04 -1.22 -1.44 135.00 134.59 1cyu n PRO 25 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1cyu n PRO 25 Cb 0.73 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 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 -0.74 0.00 0.15 0.54 6.02 -1.26 -4.48 117.38 117.61 1cyu n GLN 26 Ca 0.07 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.16 1cyu n GLN 26 Cb 0.03 -0.53 0.54 0.00 1.02 0.00 0.00 30.24 31.31 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 -2.86 0.53 0.03 1.08 4.77 -1.18 -0.66 117.00 118.71 1cyu n LEU 27 Ca 0.00 0.74 0.11 0.00 -0.03 0.00 0.00 56.01 56.83 1cyu n LEU 27 Cb 0.45 -0.79 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 1cyu n LEU 27 CO 0.00 -0.89 -0.03 1.21 -1.33 0.00 0.00 177.39 176.35 1cyu n GLU 28 N -2.21 0.32 -1.29 3.23 0.00 -0.52 -4.34 120.64 115.84 1cyu n GLU 28 Ca -0.01 -0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.18 1cyu n GLU 28 Cb 0.05 -1.60 0.02 0.00 0.00 0.00 0.00 31.44 29.91 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 -2.01 0.05 -0.04 5.31 0.28 -0.31 -4.56 120.64 119.37 1cyu n GLU 29 Ca 0.02 -1.86 -0.05 0.00 -0.16 0.00 0.00 57.16 55.11 1cyu n GLU 29 Cb 0.45 -0.14 -0.02 0.00 1.43 0.00 0.00 31.44 33.16 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 0.35 0.30 -0.47 3.44 0.00 0.16 -4.38 118.16 117.57 1cyu n LYS 30 Ca 0.05 0.12 0.42 0.00 0.00 0.00 0.00 58.31 58.90 1cyu n LYS 30 Cb 1.05 -1.00 0.77 0.00 0.00 0.00 0.00 35.03 35.86 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 -0.56 0.25 -6.06 3.15 1.03 -1.78 -3.42 112.91 105.52 1cyu h THR 31 Ca 0.00 -0.00 -0.42 0.00 -0.01 0.00 0.00 66.41 65.97 1cyu h THR 31 Cb 0.56 0.24 -0.21 0.00 -1.07 0.00 0.00 68.15 67.67 1cyu h THR 31 CO 0.00 0.00 -0.63 -0.46 -0.01 0.00 0.00 175.52 174.42 1cyu n ASN 32 N -4.11 -0.49 -4.67 0.00 0.23 -1.26 -4.85 115.26 100.11 1cyu n ASN 32 Ca 0.33 -0.85 -0.29 0.00 -0.53 0.00 0.00 54.58 53.24 1cyu n ASN 32 Cb 1.53 -1.07 0.18 0.00 -2.08 0.00 0.00 39.78 38.34 1cyu n ASN 32 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1cyu s GLU 33 N -5.50 0.38 -0.51 -3.83 -1.05 -1.26 -4.91 118.70 102.02 1cyu s GLU 33 Ca 0.34 0.45 -0.01 0.00 -0.15 0.00 0.00 54.97 55.60 1cyu s GLU 33 Cb -0.20 -1.74 0.36 0.00 -0.44 0.00 0.00 34.13 32.11 1cyu s GLU 33 CO 0.68 -2.75 2.01 -2.37 0.95 0.00 0.00 175.26 173.78 1cyu n THR 34 N -4.18 3.23 -2.54 1.83 5.66 -1.26 -4.88 114.28 112.13 1cyu n THR 34 Ca 0.05 -2.31 0.00 0.00 -3.05 0.00 0.00 64.05 58.74 1cyu n THR 34 Cb 0.58 -1.19 0.00 0.00 -1.55 0.00 0.00 70.33 68.17 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 -0.40 0.00 -3.37 1.09 4.02 -1.26 -5.07 117.16 112.17 1cyu n TYR 35 Ca 0.49 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 58.02 1cyu n TYR 35 Cb 0.68 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.96 1cyu n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1cyu n GLY 36 N 0.00 4.65 1.22 2.72 0.00 -1.26 -4.66 105.19 107.87 1cyu n GLY 36 Ca 0.00 -2.67 0.04 0.00 0.00 0.00 0.00 46.02 43.39 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 1.59 0.20 -2.81 1.61 5.02 -1.26 -4.88 118.16 117.63 1cyu n LYS 37 Ca 0.26 -2.00 -0.33 0.00 -2.02 0.00 0.00 58.31 54.21 1cyu n LYS 37 Cb 0.37 -0.28 -0.01 0.00 -0.02 0.00 0.00 35.03 35.09 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 0.21 5.75 0.00 -0.35 7.99 -1.26 0.42 117.00 129.76 1cyu n LEU 38 Ca 0.07 -5.56 0.00 0.00 -0.01 0.00 0.00 56.01 50.51 1cyu n LEU 38 Cb 1.02 -0.83 0.00 0.00 -0.11 0.00 0.00 43.42 43.50 1cyu n LEU 38 CO -0.03 2.22 0.00 1.21 -1.51 0.00 0.00 177.39 179.28 1cyu n GLU 39 N -0.15 0.00 -1.74 3.23 2.13 -1.12 -4.82 120.64 118.17 1cyu n GLU 39 Ca 0.38 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.88 1cyu n GLU 39 Cb 0.33 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.09 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 2.55 -0.25 4.31 0.00 -1.26 -0.30 121.76 125.81 1cyu s ALA 40 Ca 0.00 0.39 0.04 0.00 0.00 0.00 0.00 51.96 52.39 1cyu s ALA 40 Cb 0.00 -3.26 -0.18 0.00 0.00 0.00 0.00 23.12 19.67 1cyu s ALA 40 CO 0.00 -1.21 -0.17 1.55 0.00 0.00 0.00 175.76 175.93 1cyu n VAL 41 N -2.58 1.49 0.00 0.00 3.14 -0.28 -3.92 118.33 116.17 1cyu n VAL 41 Ca 0.09 -0.61 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 1cyu n VAL 41 Cb 0.53 -1.31 0.00 0.00 -1.06 0.00 0.00 33.84 31.99 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 -3.20 0.00 -3.62 1.45 0.00 -0.41 -1.20 117.38 110.40 1cyu n GLN 42 Ca -0.44 0.00 -0.16 0.00 -0.00 0.00 0.00 57.00 56.40 1cyu n GLN 42 Cb 1.01 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 31.11 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 -0.30 0.37 3.69 1.13 -0.93 -1.21 117.35 118.10 1cyu s TYR 43 Ca 0.00 0.65 -0.01 0.00 -1.41 0.00 0.00 57.07 56.29 1cyu s TYR 43 Cb 0.00 -0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 40.62 1cyu s TYR 43 CO 0.00 -0.39 0.60 0.21 -2.51 0.00 0.00 175.55 173.46 1cyu s LYS 44 N 2.35 3.51 0.00 -3.49 2.20 -0.39 -2.89 119.74 121.04 1cyu s LYS 44 Ca 0.03 -0.18 0.07 0.00 -0.36 0.00 0.00 55.97 55.53 1cyu s LYS 44 Cb -0.13 -2.60 -0.02 0.00 -1.51 0.00 0.00 37.83 33.57 1cyu s LYS 44 CO -0.08 0.08 -0.21 0.95 -0.36 0.00 0.00 175.35 175.73 1cyu s THR 45 N -2.38 1.63 -0.29 3.43 -4.23 -0.27 -1.73 115.64 111.80 1cyu s THR 45 Ca 0.42 -0.97 -0.12 0.00 -1.18 0.00 0.00 61.69 59.83 1cyu s THR 45 Cb -0.10 -1.37 0.12 0.00 1.34 0.00 0.00 72.50 72.49 1cyu s THR 45 CO 0.37 0.38 0.72 0.00 -0.54 0.00 0.00 174.62 175.55 1cyu s GLN 46 N -0.70 0.56 0.00 3.99 -2.07 -1.01 -4.84 119.66 115.59 1cyu s GLN 46 Ca 0.08 1.27 0.00 0.00 -1.82 0.00 0.00 55.36 54.89 1cyu s GLN 46 Cb -0.08 0.61 0.00 0.00 -1.09 0.00 0.00 33.01 32.45 1cyu s GLN 46 CO 0.00 -0.17 0.00 0.28 -1.32 0.00 0.00 175.29 174.08 1cyu n VAL 47 N 5.04 0.00 0.00 3.63 0.31 -1.26 0.20 118.33 126.25 1cyu n VAL 47 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1cyu n VAL 47 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 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 -0.56 0.00 0.00 2.52 3.14 -1.26 -3.29 118.33 118.87 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 -4.92 120.51 115.87 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 0.59 0.00 0.00 0.00 -1.25 -0.44 105.19 104.08 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 -2.66 2.61 -1.04 -1.26 -4.44 114.28 107.49 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 -0.05 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 6.59 -0.02 8.00 3.84 0.13 -3.17 114.94 130.31 1cyu s ASN 52 Ca 0.00 1.82 0.02 0.00 0.21 0.00 0.00 52.86 54.91 1cyu s ASN 52 Cb 0.00 -2.55 0.01 0.00 -0.55 0.00 0.00 41.25 38.16 1cyu s ASN 52 CO 0.00 -0.60 -0.06 -0.31 -2.79 0.00 0.00 177.10 173.34 1cyu s TYR 53 N -2.07 0.69 -0.59 0.43 2.02 0.24 -2.41 117.35 115.65 1cyu s TYR 53 Ca 0.65 -0.16 -0.03 0.00 -0.37 0.00 0.00 57.07 57.16 1cyu s TYR 53 Cb -0.13 -0.52 0.15 0.00 -0.40 0.00 0.00 41.96 41.06 1cyu s TYR 53 CO 0.17 -0.09 0.41 -0.47 -1.57 0.00 0.00 175.55 174.00 1cyu s TYR 54 N 0.29 3.43 -0.88 2.71 5.04 -0.71 -0.72 117.35 126.52 1cyu s TYR 54 Ca -0.04 -2.67 -0.17 0.00 -2.44 0.00 0.00 57.07 51.76 1cyu s TYR 54 Cb -0.08 -3.21 0.16 0.00 0.35 0.00 0.00 41.96 39.19 1cyu s TYR 54 CO 0.00 -0.86 0.97 0.42 -1.34 0.00 0.00 175.55 174.74 1cyu s ILE 55 N 0.11 5.07 -0.47 3.14 -1.09 0.16 -1.26 121.20 126.86 1cyu s ILE 55 Ca 0.16 -1.89 -0.28 0.00 -2.23 0.00 0.00 60.65 56.40 1cyu s ILE 55 Cb -0.21 -4.65 0.03 0.00 -1.58 0.00 0.00 42.46 36.06 1cyu s ILE 55 CO -0.03 -1.31 1.09 -0.75 -1.23 0.00 0.00 174.94 172.71 1cyu s LYS 56 N 1.72 3.68 0.20 2.79 2.20 -0.35 0.39 119.74 130.37 1cyu s LYS 56 Ca 0.26 0.48 -0.14 0.00 -0.36 0.00 0.00 55.97 56.21 1cyu s LYS 56 Cb -0.08 -3.91 -0.07 0.00 -1.51 0.00 0.00 37.83 32.26 1cyu s LYS 56 CO -0.09 -1.35 0.60 0.54 -0.36 0.00 0.00 175.35 174.70 1cyu s VAL 57 N 4.30 4.80 -0.02 4.02 0.11 -0.86 -1.12 120.40 131.62 1cyu s VAL 57 Ca 0.46 0.85 -0.15 0.00 -2.93 0.00 0.00 61.98 60.20 1cyu s VAL 57 Cb -0.08 -3.71 -0.05 0.00 -1.53 0.00 0.00 36.38 31.00 1cyu s VAL 57 CO 0.31 0.11 0.41 -0.60 -3.33 0.00 0.00 175.10 172.00 1cyu s ARG 58 N -2.29 3.98 -0.10 1.54 3.52 0.59 -1.13 118.95 125.06 1cyu s ARG 58 Ca 0.43 0.40 0.14 0.00 -0.13 0.00 0.00 55.73 56.56 1cyu s ARG 58 Cb -0.14 -3.26 0.26 0.00 -1.56 0.00 0.00 34.95 30.25 1cyu s ARG 58 CO 0.20 0.61 1.13 0.00 -0.81 0.00 0.00 175.30 176.42 1cyu n ALA 59 N 2.13 2.46 0.00 6.12 0.00 -1.14 -2.80 120.51 127.29 1cyu n ALA 59 Ca -0.13 -2.34 0.00 0.00 0.00 0.00 0.00 53.44 50.97 1cyu n ALA 59 Cb 0.52 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.87 0.15 0.12 0.00 0.00 1.41 -4.08 105.19 101.92 1cyu n GLY 60 Ca 0.12 -1.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.06 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 1.87 -0.01 1.61 -0.08 -1.26 -4.58 116.55 114.10 1cyu n ASP 61 Ca 0.00 -0.12 0.09 0.00 -1.51 0.00 0.00 54.79 53.25 1cyu n ASP 61 Cb 0.00 -0.28 -0.14 0.00 2.34 0.00 0.00 41.12 43.04 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 -3.20 0.78 -4.91 1.67 0.23 -1.26 -4.95 115.26 103.63 1cyu n ASN 62 Ca -0.44 -0.01 -0.30 0.00 -0.53 0.00 0.00 54.58 53.30 1cyu n ASN 62 Cb 0.99 1.83 -0.04 0.00 -2.08 0.00 0.00 39.78 40.48 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 -3.28 3.56 -0.28 -3.83 3.01 -1.26 -3.73 119.74 113.93 1cyu s LYS 63 Ca -0.07 -0.23 -0.17 0.00 -1.01 0.00 0.00 55.97 54.50 1cyu s LYS 63 Cb 0.12 -2.89 0.12 0.00 -1.01 0.00 0.00 37.83 34.16 1cyu s LYS 63 CO 0.77 0.49 0.86 0.71 0.51 0.00 0.00 175.35 178.68 1cyu s TYR 64 N -1.67 -0.77 0.29 3.18 1.51 -1.26 -2.87 117.35 115.76 1cyu s TYR 64 Ca 0.39 1.55 0.02 0.00 -1.01 0.00 0.00 57.07 58.02 1cyu s TYR 64 Cb -0.12 0.46 0.02 0.00 -0.11 0.00 0.00 41.96 42.20 1cyu s TYR 64 CO 0.26 -0.38 0.15 1.28 -1.11 0.00 0.00 175.55 175.76 1cyu n LEU 65 N 3.84 0.00 -3.52 -1.29 4.32 -0.28 -2.80 117.00 117.27 1cyu n LEU 65 Ca -0.19 -1.59 -0.10 0.00 -0.02 0.00 0.00 56.01 54.11 1cyu n LEU 65 Cb 0.58 0.04 -0.03 0.00 -1.62 0.00 0.00 43.42 42.39 1cyu n LEU 65 CO 0.01 -0.37 0.66 -2.28 -1.22 0.00 0.00 177.39 174.18 1cyu s HIS 66 N -1.61 -0.40 0.21 -1.77 2.46 -1.17 -2.03 115.29 110.97 1cyu s HIS 66 Ca 0.12 0.43 -0.22 0.00 0.47 0.00 0.00 55.06 55.85 1cyu s HIS 66 Cb -0.01 0.50 0.05 0.00 -0.13 0.00 0.00 32.58 32.99 1cyu s HIS 66 CO 0.07 -0.53 0.64 -1.17 -2.47 0.00 0.00 174.74 171.28 1cyu s LEU 67 N -2.02 -0.42 -0.29 8.88 2.96 0.16 0.13 118.68 128.08 1cyu s LEU 67 Ca 0.01 -0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 53.65 1cyu s LEU 67 Cb -0.01 2.62 0.10 0.00 0.50 0.00 0.00 46.19 49.40 1cyu s LEU 67 CO -0.05 -1.11 0.11 -0.75 -1.32 0.00 0.00 176.35 173.23 1cyu s LYS 68 N -3.82 0.42 -0.03 1.98 2.36 -1.17 0.38 119.74 119.87 1cyu s LYS 68 Ca 0.05 -0.75 -0.26 0.00 -2.55 0.00 0.00 55.97 52.46 1cyu s LYS 68 Cb -0.03 -1.55 -0.04 0.00 -1.05 0.00 0.00 37.83 35.16 1cyu s LYS 68 CO -0.05 -0.99 0.80 0.08 1.55 0.00 0.00 175.35 176.74 1cyu s VAL 69 N 1.89 4.94 -0.04 4.02 1.01 0.10 -3.29 120.40 129.02 1cyu s VAL 69 Ca 0.09 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.74 1cyu s VAL 69 Cb -0.17 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.10 1cyu s VAL 69 CO -0.31 0.24 -0.01 0.12 0.00 0.00 0.00 175.10 175.14 1cyu s PHE 70 N 0.75 0.53 -1.10 5.22 5.36 0.31 0.79 117.98 129.84 1cyu s PHE 70 Ca 0.42 -0.10 -0.03 0.00 -0.96 0.00 0.00 56.93 56.26 1cyu s PHE 70 Cb -0.19 -0.58 0.28 0.00 -0.34 0.00 0.00 43.02 42.19 1cyu s PHE 70 CO 0.22 -0.19 1.81 1.63 -1.46 0.00 0.00 175.22 177.23 1cyu n LYS 71 N 4.34 4.93 -1.26 10.12 5.02 -1.19 -0.44 118.16 139.68 1cyu n LYS 71 Ca -0.21 -4.39 -0.49 0.00 -2.02 0.00 0.00 58.31 51.19 1cyu n LYS 71 Cb 0.50 -2.54 -0.07 0.00 -0.02 0.00 0.00 35.03 32.91 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 0.85 -0.02 -2.67 4.39 7.64 -1.26 -4.37 113.62 118.18 1cyu n SER 72 Ca 0.43 0.97 -0.03 0.00 1.01 0.00 0.00 58.87 61.25 1cyu n SER 72 Cb 0.29 -0.77 0.11 0.00 -1.01 0.00 0.00 64.21 62.83 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 1.27 -1.26 -1.96 -3.43 0.00 -0.01 -4.32 117.00 107.28 1cyu n LEU 73 Ca 0.17 -1.92 -0.12 0.00 0.00 0.00 0.00 56.01 54.15 1cyu n LEU 73 Cb 0.07 0.98 -0.13 0.00 0.00 0.00 0.00 43.42 44.34 1cyu n LEU 73 CO 0.51 1.61 1.51 -0.81 0.00 0.00 0.00 177.39 180.21 1cyu n PRO 74 N 0.51 1.87 0.00 1.96 -0.04 0.41 -3.90 135.00 135.81 1cyu n PRO 74 Ca -0.05 -0.98 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 1cyu n PRO 74 Cb 0.76 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 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 2.13 2.69 0.13 0.55 0.00 -1.26 -4.73 105.19 104.70 1cyu n GLY 75 Ca 0.36 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 0.70 -2.34 1.61 -0.06 -1.26 -5.07 117.38 110.96 1cyu n GLN 76 Ca 0.00 0.34 -0.04 0.00 -2.00 0.00 0.00 57.00 55.30 1cyu n GLN 76 Cb 0.00 -1.70 -0.03 0.00 -4.06 0.00 0.00 30.24 24.45 1cyu n GLN 76 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1cyu n ASN 77 N -3.74 -1.79 -3.20 1.69 4.05 -1.26 -5.02 115.26 105.99 1cyu n ASN 77 Ca -0.34 1.04 -0.23 0.00 0.45 0.00 0.00 54.58 55.50 1cyu n ASN 77 Cb 0.94 -4.26 -0.07 0.00 1.23 0.00 0.00 39.78 37.63 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 1.15 0.54 -0.90 1.20 1.02 -1.26 -5.03 120.64 117.36 1cyu n GLU 78 Ca -0.27 -3.02 0.00 0.00 -0.02 0.00 0.00 57.16 53.86 1cyu n GLU 78 Cb 0.41 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 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 1.96 -5.35 -3.58 1.62 2.03 -1.26 -4.97 116.55 107.01 1cyu n ASP 79 Ca 0.23 0.69 0.00 0.00 0.52 0.00 0.00 54.79 56.23 1cyu n ASP 79 Cb 0.52 -2.19 0.00 0.00 -0.72 0.00 0.00 41.12 38.73 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 -0.73 0.00 -3.65 -2.67 -0.00 -1.26 -4.44 117.00 104.26 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 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 1cyu n LEU 80 CO 0.00 0.00 1.18 -0.69 -0.00 0.00 0.00 177.39 177.88 1cyu s VAL 81 N 0.00 0.00 -0.40 1.47 1.01 0.41 -4.51 120.40 118.38 1cyu s VAL 81 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.04 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 0.42 0.18 0.00 0.00 0.00 175.10 175.70 1cyu n LEU 82 N 0.37 -0.31 0.00 3.92 4.32 -1.26 -0.53 117.00 123.50 1cyu n LEU 82 Ca 0.02 -4.46 0.00 0.00 -0.02 0.00 0.00 56.01 51.55 1cyu n LEU 82 Cb 0.58 0.59 0.00 0.00 -1.62 0.00 0.00 43.42 42.97 1cyu n LEU 82 CO 0.07 1.94 0.43 0.41 -1.22 0.00 0.00 177.39 179.02 1cyu n THR 83 N 2.31 1.44 -4.25 -5.08 -1.04 -1.24 -4.52 114.28 101.89 1cyu n THR 83 Ca 0.26 0.36 -0.31 0.00 -2.04 0.00 0.00 64.05 62.33 1cyu n THR 83 Cb 0.50 -1.36 -0.09 0.00 -1.82 0.00 0.00 70.33 67.56 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 -2.72 1.86 0.00 3.41 0.00 -1.21 -4.79 107.32 103.88 1cyu s GLY 84 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1cyu s GLY 84 CO 0.00 -0.99 0.00 1.58 0.00 0.00 0.00 173.10 173.69 1cyu n TYR 85 N 1.01 0.00 -3.46 1.90 0.18 -1.20 -3.02 117.16 112.58 1cyu n TYR 85 Ca -0.13 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.51 1cyu n TYR 85 Cb 0.52 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.45 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 1.19 0.00 -3.48 -1.52 0.34 -4.83 119.66 111.36 1cyu s GLN 86 Ca 0.00 -0.20 0.00 0.00 -1.95 0.00 0.00 55.36 53.21 1cyu s GLN 86 Cb 0.00 0.55 0.00 0.00 -0.22 0.00 0.00 33.01 33.34 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 0.10 0.00 -0.03 1.09 3.14 -1.26 -3.06 118.33 118.31 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 0.62 -0.92 0.00 0.00 -1.06 0.00 0.00 33.84 32.48 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 -1.72 0.00 0.00 6.55 5.75 -1.24 -3.36 116.55 122.54 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 4.81 -1.26 -3.98 118.16 117.84 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 2.56 0.00 -0.08 3.14 6.94 -1.24 -4.32 115.26 122.25 1cyu n ASN 90 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 54.58 54.40 1cyu n ASN 90 Cb 0.00 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 1cyu n ASN 90 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1cyu n LYS 91 N 0.00 0.33 -0.30 -3.83 4.01 -1.26 -4.48 118.16 112.64 1cyu n LYS 91 Ca 0.00 0.15 0.02 0.00 -0.51 0.00 0.00 58.31 57.96 1cyu n LYS 91 Cb 0.00 -1.06 0.13 0.00 -0.51 0.00 0.00 35.03 33.59 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 -3.74 2.59 -4.54 4.39 2.03 -1.12 -4.85 116.55 111.32 1cyu n ASP 92 Ca -0.30 -2.32 -0.26 0.00 0.52 0.00 0.00 54.79 52.44 1cyu n ASP 92 Cb 0.69 -0.56 -0.09 0.00 -0.72 0.00 0.00 41.12 40.43 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 0.19 1.30 -3.95 1.67 2.03 -1.26 -4.74 116.55 111.78 1cyu n ASP 93 Ca 0.10 -0.80 -0.17 0.00 0.52 0.00 0.00 54.79 54.44 1cyu n ASP 93 Cb 0.58 -1.37 -0.15 0.00 -0.72 0.00 0.00 41.12 39.46 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 8.44 0.55 0.48 -0.67 0.41 -1.26 -5.12 118.70 121.53 1cyu s GLU 94 Ca 1.06 -0.19 -0.13 0.00 -0.41 0.00 0.00 54.97 55.30 1cyu s GLU 94 Cb -0.40 -0.55 -0.07 0.00 -1.78 0.00 0.00 34.13 31.33 1cyu s GLU 94 CO 0.27 0.09 0.90 -0.51 -0.49 0.00 0.00 175.26 175.51 1cyu s LEU 95 N 0.09 3.68 0.22 1.80 1.43 -1.26 -5.08 118.68 119.56 1cyu s LEU 95 Ca -0.01 1.37 0.08 0.00 -1.03 0.00 0.00 54.13 54.54 1cyu s LEU 95 Cb -0.05 -4.29 -0.05 0.00 0.03 0.00 0.00 46.19 41.83 1cyu s LEU 95 CO -0.00 -0.53 -0.14 0.42 0.23 0.00 0.00 176.35 176.32 1cyu s THR 96 N -2.56 1.84 0.00 5.49 -4.23 -1.26 -4.47 115.64 110.45 1cyu s THR 96 Ca 0.55 -2.24 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1cyu s THR 96 Cb -0.10 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.62 1cyu s THR 96 CO 0.33 -0.54 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1cyu n GLY 97 N -0.44 0.92 0.00 3.99 0.00 -1.26 -5.04 105.19 103.36 1cyu n GLY 97 Ca -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1cyu n GLY 97 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01