#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 0.00 -2.06 1.12 3.06 -1.26 -5.15 119.36 115.08 1cyu n ILE 2 Ca 0.00 -1.18 -0.32 0.00 -2.50 0.00 0.00 62.75 58.75 1cyu n ILE 2 Cb 0.00 1.22 0.00 0.00 0.54 0.00 0.00 39.64 41.41 1cyu n ILE 2 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 1cyu s PRO 3 N 0.75 3.50 -1.31 9.51 0.04 -1.26 -4.96 135.00 141.27 1cyu s PRO 3 Ca 0.30 1.02 -0.06 0.00 0.04 0.00 0.00 61.00 62.30 1cyu s PRO 3 Cb 0.13 -2.07 0.13 0.00 0.04 0.00 0.00 34.50 32.74 1cyu s PRO 3 CO -0.15 -0.65 2.27 0.41 0.04 0.00 0.00 177.00 178.91 1cyu n GLY 4 N -1.58 5.15 2.27 0.56 0.00 -1.26 -4.52 105.19 105.81 1cyu n GLY 4 Ca 0.07 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 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 1.90 0.13 0.00 -0.02 0.00 -1.26 -4.33 105.19 101.61 1cyu n GLY 5 Ca 0.57 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.79 0.00 0.00 0.99 7.94 -1.26 -3.91 117.00 118.96 1cyu n LEU 6 Ca -0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 1cyu n LEU 6 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 1cyu n LEU 6 CO 0.18 -0.21 0.00 -1.20 -1.11 0.00 0.00 177.39 175.05 1cyu n SER 7 N 0.00 0.00 -4.42 1.96 7.64 -1.26 -3.91 113.62 113.64 1cyu n SER 7 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.43 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 3.84 0.00 1.43 0.41 -1.26 -4.93 118.70 118.19 1cyu s GLU 8 Ca 0.00 -2.35 0.00 0.00 -0.41 0.00 0.00 54.97 52.21 1cyu s GLU 8 Cb 0.00 -4.82 0.00 0.00 -1.78 0.00 0.00 34.13 27.53 1cyu s GLU 8 CO 0.00 -1.61 0.00 0.00 -0.49 0.00 0.00 175.26 173.16 1cyu n ALA 9 N 5.25 0.00 -2.52 5.21 0.00 -1.25 -1.41 120.51 125.79 1cyu n ALA 9 Ca 0.26 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.46 1cyu n ALA 9 Cb 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.93 2.20 -0.44 0.00 3.01 -1.13 -4.88 119.74 116.56 1cyu s LYS 10 Ca 0.00 -1.70 -0.29 0.00 -1.01 0.00 0.00 55.97 52.97 1cyu s LYS 10 Cb 0.00 -2.01 0.02 0.00 -1.01 0.00 0.00 37.83 34.83 1cyu s LYS 10 CO 0.00 0.08 1.24 -1.25 0.51 0.00 0.00 175.35 175.93 1cyu s PRO 11 N -3.79 3.69 -0.30 -1.68 0.04 -1.26 -2.18 135.00 129.52 1cyu s PRO 11 Ca 0.37 0.74 -0.09 0.00 0.04 0.00 0.00 61.00 62.06 1cyu s PRO 11 Cb -0.00 -3.94 0.01 0.00 0.04 0.00 0.00 34.50 30.61 1cyu s PRO 11 CO 0.21 -1.42 0.30 0.00 0.04 0.00 0.00 177.00 176.12 1cyu n ALA 12 N 8.14 -1.73 -0.87 8.56 0.00 -0.48 -4.79 120.51 129.34 1cyu n ALA 12 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 1cyu n ALA 12 Cb 0.48 -0.66 0.09 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 -0.83 0.00 0.88 0.00 -2.24 -1.26 -4.45 114.28 106.38 1cyu n THR 13 Ca -0.10 -0.18 0.11 0.00 -2.27 0.00 0.00 64.05 61.61 1cyu n THR 13 Cb 0.32 -0.26 0.52 0.00 -2.10 0.00 0.00 70.33 68.82 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 0.58 0.09 -0.11 -0.78 -0.04 -1.26 -1.55 135.00 131.94 1cyu n PRO 14 Ca -0.00 0.09 -0.16 0.00 -0.04 0.00 0.00 63.50 63.39 1cyu n PRO 14 Cb 0.67 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.44 0.55 -0.18 0.54 2.13 -1.26 -4.01 120.64 116.97 1cyu n GLU 15 Ca 0.07 0.25 -0.03 0.00 0.66 0.00 0.00 57.16 58.11 1cyu n GLU 15 Cb 0.25 -1.47 0.07 0.00 0.27 0.00 0.00 31.44 30.56 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 0.86 0.00 6.31 1.08 -1.88 0.14 117.51 123.03 1cyu h ILE 16 Ca -0.25 -0.15 -0.00 0.00 -0.39 0.00 0.00 64.86 64.07 1cyu h ILE 16 Cb 1.20 0.39 -0.00 0.00 -3.07 0.00 0.00 36.82 35.34 1cyu h ILE 16 CO -0.15 0.08 -0.02 0.06 -0.69 0.00 0.00 178.15 177.43 1cyu h GLN 17 N 0.43 0.00 -0.18 2.37 3.07 -1.50 0.88 115.11 120.19 1cyu h GLN 17 Ca 0.25 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.93 1cyu h GLN 17 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.79 1cyu h GLN 17 CO -0.23 0.02 -0.17 1.49 0.09 0.00 0.00 178.83 180.04 1cyu h GLU 18 N 0.00 0.29 -0.46 0.06 4.81 -0.86 -1.42 114.58 117.01 1cyu h GLU 18 Ca -0.00 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 1cyu h GLU 18 Cb 0.05 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1cyu h GLU 18 CO 0.00 0.46 -0.03 0.97 -0.73 0.00 0.00 179.01 179.68 1cyu h ILE 19 N 0.27 1.25 0.00 2.32 -0.00 -0.61 -0.02 117.51 120.71 1cyu h ILE 19 Ca 0.05 -1.05 0.00 0.00 -0.00 0.00 0.00 64.86 63.86 1cyu h ILE 19 Cb 0.46 0.93 0.00 0.00 -0.00 0.00 0.00 36.82 38.21 1cyu h ILE 19 CO 0.03 0.37 0.00 0.58 -0.00 0.00 0.00 178.15 179.13 1cyu h VAL 20 N 0.73 0.00 0.00 2.19 2.07 -1.08 -0.09 116.25 120.06 1cyu h VAL 20 Ca 0.14 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1cyu h VAL 20 Cb 0.49 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1cyu h VAL 20 CO 0.03 0.00 -1.36 -0.67 0.02 0.00 0.00 177.57 175.58 1cyu n ASP 21 N -2.74 0.69 0.00 0.57 -0.08 -0.19 -3.43 116.55 111.38 1cyu n ASP 21 Ca -0.01 -0.53 0.00 0.00 -1.51 0.00 0.00 54.79 52.74 1cyu n ASP 21 Cb 0.12 1.41 0.00 0.00 2.34 0.00 0.00 41.12 44.99 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 -1.79 0.00 0.00 -0.67 4.81 -0.10 -3.63 118.16 116.78 1cyu n LYS 22 Ca 0.00 0.20 0.15 0.00 -0.87 0.00 0.00 58.31 57.79 1cyu n LYS 22 Cb 0.40 -0.64 0.70 0.00 0.02 0.00 0.00 35.03 35.51 1cyu n LYS 22 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1cyu n VAL 23 N -1.81 0.00 -2.70 3.15 0.31 -0.87 -3.81 118.33 112.60 1cyu n VAL 23 Ca 0.00 -0.03 -0.18 0.00 -0.01 0.00 0.00 64.34 64.12 1cyu n VAL 23 Cb 0.00 -0.30 0.01 0.00 -0.91 0.00 0.00 33.84 32.64 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 -1.09 2.09 0.00 5.55 4.01 -1.21 -4.85 118.16 122.66 1cyu n LYS 24 Ca 0.15 -3.85 0.06 0.00 -0.51 0.00 0.00 58.31 54.16 1cyu n LYS 24 Cb 0.25 -1.74 0.34 0.00 -0.51 0.00 0.00 35.03 33.37 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 -0.17 0.68 0.00 1.97 -0.04 -1.23 -1.58 135.00 134.63 1cyu n PRO 25 Ca 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1cyu n PRO 25 Cb 0.70 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 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 -0.76 0.00 0.15 0.54 6.02 -1.26 -4.47 117.38 117.60 1cyu n GLN 26 Ca 0.09 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.18 1cyu n GLN 26 Cb 0.04 -0.56 0.55 0.00 1.02 0.00 0.00 30.24 31.29 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 -2.82 0.55 0.03 1.08 4.77 -1.19 -0.03 117.00 119.38 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 -0.80 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 1cyu n LEU 27 CO 0.00 -0.90 -0.03 1.21 -1.33 0.00 0.00 177.39 176.35 1cyu n GLU 28 N -2.22 0.32 -0.56 3.23 0.00 -0.61 -4.31 120.64 116.49 1cyu n GLU 28 Ca -0.01 -0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.17 1cyu n GLU 28 Cb 0.05 -1.61 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 -2.02 0.19 -0.09 5.31 0.28 -0.24 -4.52 120.64 119.56 1cyu n GLU 29 Ca 0.02 -1.36 -0.09 0.00 -0.16 0.00 0.00 57.16 55.57 1cyu n GLU 29 Cb 0.45 -0.59 -0.03 0.00 1.43 0.00 0.00 31.44 32.70 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 -0.15 0.52 -0.48 3.44 0.00 0.95 -4.18 118.16 118.27 1cyu n LYS 30 Ca 0.03 0.25 0.43 0.00 0.00 0.00 0.00 58.31 59.02 1cyu n LYS 30 Cb 0.74 -1.47 0.78 0.00 0.00 0.00 0.00 35.03 35.08 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 -1.00 0.23 -6.54 3.15 1.03 -1.78 -3.43 112.91 104.58 1cyu h THR 31 Ca -0.02 0.00 -0.50 0.00 -0.01 0.00 0.00 66.41 65.88 1cyu h THR 31 Cb 0.96 0.23 -0.23 0.00 -1.07 0.00 0.00 68.15 68.04 1cyu h THR 31 CO -0.01 0.00 -0.76 -0.46 -0.01 0.00 0.00 175.52 174.28 1cyu n ASN 32 N -4.05 -0.22 -4.81 0.00 6.94 -1.26 -4.85 115.26 107.01 1cyu n ASN 32 Ca 0.33 -1.01 -0.31 0.00 -0.02 0.00 0.00 54.58 53.57 1cyu n ASN 32 Cb 1.57 -1.28 0.05 0.00 -2.36 0.00 0.00 39.78 37.77 1cyu n ASN 32 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1cyu s GLU 33 N -6.29 2.88 -0.30 -3.83 0.41 -1.26 -4.91 118.70 105.40 1cyu s GLU 33 Ca 0.30 1.03 -0.01 0.00 -0.41 0.00 0.00 54.97 55.88 1cyu s GLU 33 Cb -0.17 -1.98 0.22 0.00 -1.78 0.00 0.00 34.13 30.41 1cyu s GLU 33 CO 0.81 -1.14 1.98 -2.37 -0.49 0.00 0.00 175.26 174.05 1cyu n THR 34 N -3.02 2.71 -2.38 3.63 5.66 -1.26 -4.83 114.28 114.79 1cyu n THR 34 Ca 0.08 -1.58 0.00 0.00 -3.05 0.00 0.00 64.05 59.50 1cyu n THR 34 Cb 0.53 -1.30 0.00 0.00 -1.55 0.00 0.00 70.33 68.01 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 0.33 0.00 -3.26 1.09 4.01 -1.26 -5.07 117.16 113.01 1cyu n TYR 35 Ca 0.29 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.72 1cyu n TYR 35 Cb 0.61 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 5.02 1.33 2.72 0.00 -1.26 -4.67 105.19 108.32 1cyu n GLY 36 Ca 0.00 -2.75 0.04 0.00 0.00 0.00 0.00 46.02 43.32 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 0.85 0.38 -2.88 1.61 5.02 -1.26 -4.87 118.16 117.01 1cyu n LYS 37 Ca 0.30 -2.31 -0.32 0.00 -2.02 0.00 0.00 58.31 53.95 1cyu n LYS 37 Cb 0.38 -0.38 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 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 0.13 5.44 0.00 -0.35 7.99 -1.26 0.41 117.00 129.37 1cyu n LEU 38 Ca 0.09 -5.56 0.00 0.00 -0.01 0.00 0.00 56.01 50.53 1cyu n LEU 38 Cb 1.05 -0.79 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 0.00 177.39 179.27 1cyu n GLU 39 N -0.05 0.00 -1.69 3.23 2.13 -1.12 -4.82 120.64 118.31 1cyu n GLU 39 Ca 0.36 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.86 1cyu n GLU 39 Cb 0.35 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.10 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 2.65 -0.24 4.31 0.00 -1.26 -0.39 121.76 125.83 1cyu s ALA 40 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 1cyu s ALA 40 Cb 0.00 -3.21 -0.18 0.00 0.00 0.00 0.00 23.12 19.73 1cyu s ALA 40 CO 0.00 -1.15 -0.14 1.55 0.00 0.00 0.00 175.76 176.02 1cyu n VAL 41 N -2.80 1.54 0.00 0.00 3.14 -0.36 -3.91 118.33 115.93 1cyu n VAL 41 Ca 0.08 -0.56 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 1cyu n VAL 41 Cb 0.53 -1.51 0.00 0.00 -1.06 0.00 0.00 33.84 31.80 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 -3.38 0.00 -3.63 1.45 0.00 -0.42 -1.39 117.38 110.01 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 0.99 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 31.09 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 0.39 3.69 1.13 -0.93 -1.33 117.35 118.00 1cyu s TYR 43 Ca 0.00 0.69 -0.06 0.00 -1.41 0.00 0.00 57.07 56.30 1cyu s TYR 43 Cb 0.00 -0.18 -0.05 0.00 -1.10 0.00 0.00 41.96 40.63 1cyu s TYR 43 CO 0.00 -0.37 0.68 0.21 -2.51 0.00 0.00 175.55 173.57 1cyu s LYS 44 N 2.35 3.63 0.01 -3.49 2.20 -0.17 -2.86 119.74 121.41 1cyu s LYS 44 Ca 0.03 0.15 0.04 0.00 -0.36 0.00 0.00 55.97 55.83 1cyu s LYS 44 Cb -0.13 -2.49 -0.01 0.00 -1.51 0.00 0.00 37.83 33.69 1cyu s LYS 44 CO -0.08 0.01 -0.12 0.95 -0.36 0.00 0.00 175.35 175.74 1cyu s THR 45 N -2.40 0.97 0.20 3.43 -4.23 -0.50 -1.66 115.64 111.46 1cyu s THR 45 Ca 0.46 -0.67 -0.23 0.00 -1.18 0.00 0.00 61.69 60.08 1cyu s THR 45 Cb -0.10 -0.84 0.05 0.00 1.34 0.00 0.00 72.50 72.95 1cyu s THR 45 CO 0.36 0.17 0.76 0.00 -0.54 0.00 0.00 174.62 175.37 1cyu s GLN 46 N -0.57 1.45 0.00 3.99 -2.07 -0.69 -4.85 119.66 116.92 1cyu s GLN 46 Ca 0.03 -0.73 0.00 0.00 -1.82 0.00 0.00 55.36 52.84 1cyu s GLN 46 Cb -0.06 0.54 0.00 0.00 -1.09 0.00 0.00 33.01 32.40 1cyu s GLN 46 CO 0.00 -0.66 0.00 0.28 -1.32 0.00 0.00 175.29 173.60 1cyu n VAL 47 N -0.42 0.00 0.00 3.63 0.31 -1.26 0.30 118.33 120.89 1cyu n VAL 47 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1cyu n VAL 47 Cb 0.61 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 1cyu n VAL 47 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1cyu n VAL 48 N 0.00 0.00 0.00 2.52 3.14 -1.26 -3.23 118.33 119.50 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 0.52 0.00 0.00 0.00 -1.25 0.74 105.19 105.20 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 -2.86 2.61 -1.04 -1.26 -4.40 114.28 107.33 1cyu n THR 51 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 1cyu n THR 51 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 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 7.49 -0.09 8.00 3.84 0.15 -3.12 114.94 131.21 1cyu s ASN 52 Ca 0.00 1.80 0.01 0.00 0.21 0.00 0.00 52.86 54.87 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 0.14 -0.09 -0.31 -2.79 0.00 0.00 177.10 174.05 1cyu s TYR 53 N -1.24 1.43 -0.57 0.43 1.51 0.11 -1.71 117.35 117.32 1cyu s TYR 53 Ca 0.40 -0.64 -0.12 0.00 -1.01 0.00 0.00 57.07 55.70 1cyu s TYR 53 Cb -0.24 -1.14 0.14 0.00 -0.11 0.00 0.00 41.96 40.62 1cyu s TYR 53 CO 0.28 -0.41 0.48 -0.47 -1.11 0.00 0.00 175.55 174.33 1cyu s TYR 54 N 1.28 3.40 -0.90 2.71 5.04 -0.66 0.33 117.35 128.55 1cyu s TYR 54 Ca -0.03 -1.69 -0.15 0.00 -2.44 0.00 0.00 57.07 52.75 1cyu s TYR 54 Cb -0.14 -3.66 0.20 0.00 0.35 0.00 0.00 41.96 38.71 1cyu s TYR 54 CO -0.03 -1.00 0.93 0.42 -1.34 0.00 0.00 175.55 174.53 1cyu s ILE 55 N 1.19 5.36 -0.34 3.14 -1.09 0.13 -1.00 121.20 128.59 1cyu s ILE 55 Ca 0.07 -2.29 -0.29 0.00 -2.23 0.00 0.00 60.65 55.91 1cyu s ILE 55 Cb -0.25 -4.59 0.02 0.00 -1.58 0.00 0.00 42.46 36.06 1cyu s ILE 55 CO -0.01 -1.21 1.08 -0.75 -1.23 0.00 0.00 174.94 172.82 1cyu s LYS 56 N 0.86 4.02 0.06 2.79 2.20 -0.45 0.18 119.74 129.41 1cyu s LYS 56 Ca 0.24 1.00 -0.10 0.00 -0.36 0.00 0.00 55.97 56.75 1cyu s LYS 56 Cb -0.08 -3.76 -0.06 0.00 -1.51 0.00 0.00 37.83 32.43 1cyu s LYS 56 CO -0.09 -0.95 0.39 0.54 -0.36 0.00 0.00 175.35 174.88 1cyu s VAL 57 N 3.73 5.10 0.01 4.02 0.11 -0.98 -1.22 120.40 131.17 1cyu s VAL 57 Ca 0.45 0.49 -0.16 0.00 -2.93 0.00 0.00 61.98 59.83 1cyu s VAL 57 Cb -0.12 -3.65 -0.06 0.00 -1.53 0.00 0.00 36.38 31.03 1cyu s VAL 57 CO 0.17 0.34 0.45 -0.60 -3.33 0.00 0.00 175.10 172.14 1cyu s ARG 58 N -1.76 4.01 -0.09 1.54 3.52 0.47 -1.37 118.95 125.27 1cyu s ARG 58 Ca 0.31 0.50 0.13 0.00 -0.13 0.00 0.00 55.73 56.54 1cyu s ARG 58 Cb -0.14 -3.23 0.27 0.00 -1.56 0.00 0.00 34.95 30.28 1cyu s ARG 58 CO 0.17 0.66 1.13 0.00 -0.81 0.00 0.00 175.30 176.44 1cyu n ALA 59 N 1.87 2.52 0.00 6.12 0.00 -1.12 -2.79 120.51 127.12 1cyu n ALA 59 Ca -0.13 -2.28 0.00 0.00 0.00 0.00 0.00 53.44 51.04 1cyu n ALA 59 Cb 0.52 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.58 0.25 0.01 0.00 0.00 1.36 -3.87 105.19 102.36 1cyu n GLY 60 Ca 0.10 -2.09 0.11 0.00 0.00 0.00 0.00 46.02 44.14 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 0.21 -0.01 1.61 2.03 -1.26 -4.52 116.55 114.61 1cyu n ASP 61 Ca 0.00 -0.20 -0.00 0.00 0.52 0.00 0.00 54.79 55.11 1cyu n ASP 61 Cb 0.00 1.78 -0.02 0.00 -0.72 0.00 0.00 41.12 42.16 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 -2.11 4.46 -4.91 1.67 6.94 -1.26 -5.02 115.26 115.03 1cyu n ASN 62 Ca -0.02 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.23 1cyu n ASN 62 Cb 0.52 0.71 -0.04 0.00 -2.36 0.00 0.00 39.78 38.61 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 -2.08 3.57 -0.28 -3.83 1.02 -1.25 -4.02 119.74 112.87 1cyu s LYS 63 Ca -0.01 -0.19 -0.22 0.00 0.02 0.00 0.00 55.97 55.57 1cyu s LYS 63 Cb 0.01 -2.87 0.09 0.00 -0.52 0.00 0.00 37.83 34.54 1cyu s LYS 63 CO 0.09 0.47 0.81 -0.47 -0.92 0.00 0.00 175.35 175.33 1cyu s TYR 64 N -1.69 -0.77 0.19 3.18 5.04 -1.26 -2.79 117.35 119.24 1cyu s TYR 64 Ca 0.40 1.73 0.00 0.00 -2.44 0.00 0.00 57.07 56.76 1cyu s TYR 64 Cb -0.12 0.40 0.00 0.00 0.35 0.00 0.00 41.96 42.59 1cyu s TYR 64 CO 0.26 -0.38 0.01 1.28 -1.34 0.00 0.00 175.55 175.38 1cyu n LEU 65 N 3.15 0.00 -3.57 6.97 4.32 -0.47 -3.29 117.00 124.11 1cyu n LEU 65 Ca -0.16 -1.18 -0.07 0.00 -0.02 0.00 0.00 56.01 54.58 1cyu n LEU 65 Cb 0.57 0.12 -0.03 0.00 -1.62 0.00 0.00 43.42 42.46 1cyu n LEU 65 CO 0.01 -0.18 0.87 -2.28 -1.22 0.00 0.00 177.39 174.59 1cyu s HIS 66 N -1.64 -0.25 0.19 -1.77 2.46 -1.19 -2.33 115.29 110.76 1cyu s HIS 66 Ca 0.01 0.29 -0.18 0.00 0.47 0.00 0.00 55.06 55.64 1cyu s HIS 66 Cb -0.00 0.50 0.03 0.00 -0.13 0.00 0.00 32.58 32.98 1cyu s HIS 66 CO 0.00 -0.31 0.54 -1.17 -2.47 0.00 0.00 174.74 171.33 1cyu s LEU 67 N -1.77 -0.02 -0.33 8.88 2.96 0.13 0.12 118.68 128.65 1cyu s LEU 67 Ca 0.05 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1cyu s LEU 67 Cb -0.01 2.23 0.11 0.00 0.50 0.00 0.00 46.19 49.03 1cyu s LEU 67 CO -0.04 -1.05 0.14 -0.75 -1.32 0.00 0.00 176.35 173.33 1cyu s LYS 68 N -3.86 0.58 0.04 1.98 2.36 -1.15 0.17 119.74 119.87 1cyu s LYS 68 Ca 0.08 -1.05 -0.29 0.00 -2.55 0.00 0.00 55.97 52.16 1cyu s LYS 68 Cb -0.01 -1.65 -0.05 0.00 -1.05 0.00 0.00 37.83 35.07 1cyu s LYS 68 CO -0.04 -1.06 0.91 0.08 1.55 0.00 0.00 175.35 176.80 1cyu s VAL 69 N 1.53 4.72 -0.04 4.02 1.01 0.15 -3.30 120.40 128.50 1cyu s VAL 69 Ca 0.12 1.94 -0.00 0.00 0.00 0.00 0.00 61.98 64.04 1cyu s VAL 69 Cb -0.19 -4.26 0.03 0.00 0.00 0.00 0.00 36.38 31.96 1cyu s VAL 69 CO -0.22 0.26 0.00 0.12 0.00 0.00 0.00 175.10 175.27 1cyu s PHE 70 N 0.43 0.38 -1.13 5.22 5.36 0.24 0.07 117.98 128.55 1cyu s PHE 70 Ca 0.47 -0.02 -0.04 0.00 -0.96 0.00 0.00 56.93 56.38 1cyu s PHE 70 Cb -0.21 -0.49 0.26 0.00 -0.34 0.00 0.00 43.02 42.24 1cyu s PHE 70 CO 0.27 -0.17 1.77 1.63 -1.46 0.00 0.00 175.22 177.26 1cyu n LYS 71 N 4.39 4.66 -1.57 10.12 5.02 -1.18 -0.40 118.16 139.19 1cyu n LYS 71 Ca -0.21 -4.28 -0.64 0.00 -2.02 0.00 0.00 58.31 51.16 1cyu n LYS 71 Cb 0.50 -2.58 -0.10 0.00 -0.02 0.00 0.00 35.03 32.83 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 1.37 1.20 -2.73 4.39 7.64 -1.26 -4.32 113.62 119.90 1cyu n SER 72 Ca 0.39 0.99 -0.09 0.00 1.01 0.00 0.00 58.87 61.17 1cyu n SER 72 Cb 0.30 -0.92 0.09 0.00 -1.01 0.00 0.00 64.21 62.67 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 5.48 -2.21 -1.92 -3.43 0.00 -0.53 -4.18 117.00 110.21 1cyu n LEU 73 Ca 0.39 -3.69 -0.11 0.00 0.00 0.00 0.00 56.01 52.59 1cyu n LEU 73 Cb -0.03 0.79 -0.09 0.00 0.00 0.00 0.00 43.42 44.09 1cyu n LEU 73 CO 0.88 2.05 1.42 -0.81 0.00 0.00 0.00 177.39 180.93 1cyu n PRO 74 N 0.21 1.76 0.00 1.96 -0.04 0.23 -3.84 135.00 135.27 1cyu n PRO 74 Ca 0.05 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.57 1cyu n PRO 74 Cb 0.72 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 1.87 2.85 0.09 0.55 0.00 -1.26 -4.73 105.19 104.55 1cyu n GLY 75 Ca 0.31 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.39 0.63 -3.82 1.61 0.00 -1.26 -4.99 117.38 109.15 1cyu n GLN 76 Ca 0.00 0.10 -0.35 0.00 -0.00 0.00 0.00 57.00 56.75 1cyu n GLN 76 Cb 0.00 -1.75 0.03 0.00 0.00 0.00 0.00 30.24 28.52 1cyu n GLN 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1cyu n ASN 77 N -2.69 -4.93 -3.55 1.69 4.05 -1.26 -4.84 115.26 103.73 1cyu n ASN 77 Ca -0.07 -1.08 -0.41 0.00 0.45 0.00 0.00 54.58 53.48 1cyu n ASN 77 Cb 0.71 -2.56 0.02 0.00 1.23 0.00 0.00 39.78 39.17 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 -4.20 5.12 -0.35 1.20 1.02 -1.26 -4.99 120.64 117.17 1cyu n GLU 78 Ca -0.13 -4.46 0.04 0.00 -0.02 0.00 0.00 57.16 52.60 1cyu n GLU 78 Cb 0.59 -2.46 -0.02 0.00 -0.02 0.00 0.00 31.44 29.53 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 0.01 -2.05 -1.63 1.62 -0.08 -1.26 -4.98 116.55 108.19 1cyu n ASP 79 Ca 0.49 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 54.04 1cyu n ASP 79 Cb 0.26 -1.14 0.00 0.00 2.34 0.00 0.00 41.12 42.58 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 -2.86 0.00 0.00 -2.67 -0.00 -1.26 -4.04 117.00 106.17 1cyu n LEU 80 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 1cyu n LEU 80 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 1cyu n LEU 80 CO 0.01 0.00 0.00 0.52 -0.00 0.00 0.00 177.39 177.92 1cyu n VAL 81 N 0.00 0.00 -3.20 1.47 0.31 0.47 -4.48 118.33 112.89 1cyu n VAL 81 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 1cyu n VAL 81 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 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 -0.68 0.00 7.52 4.32 -1.26 -0.59 117.00 126.30 1cyu n LEU 82 Ca 0.00 -4.29 0.00 0.00 -0.02 0.00 0.00 56.01 51.70 1cyu n LEU 82 Cb 0.00 0.63 0.00 0.00 -1.62 0.00 0.00 43.42 42.43 1cyu n LEU 82 CO 0.00 1.97 0.42 0.41 -1.22 0.00 0.00 177.39 178.96 1cyu n THR 83 N 2.15 1.23 -4.31 -5.08 -1.04 -1.22 -4.54 114.28 101.47 1cyu n THR 83 Ca 0.23 0.35 -0.28 0.00 -2.04 0.00 0.00 64.05 62.32 1cyu n THR 83 Cb 0.52 -1.35 -0.10 0.00 -1.82 0.00 0.00 70.33 67.58 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 -2.58 1.72 0.00 3.41 0.00 -1.21 -4.79 107.32 103.88 1cyu s GLY 84 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.26 1cyu s GLY 84 CO 0.00 -1.47 0.00 1.58 0.00 0.00 0.00 173.10 173.21 1cyu n TYR 85 N 0.31 0.00 -3.50 1.90 0.18 -1.15 -2.94 117.16 111.95 1cyu n TYR 85 Ca -0.12 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.50 1cyu n TYR 85 Cb 0.55 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.46 1cyu n TYR 85 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1cyu s GLN 86 N 0.00 1.11 0.00 -3.48 -1.52 0.32 -4.85 119.66 111.24 1cyu s GLN 86 Ca 0.00 0.03 0.00 0.00 -1.95 0.00 0.00 55.36 53.44 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 -0.39 0.00 1.55 -0.25 0.00 0.00 175.29 176.20 1cyu n VAL 87 N 0.55 0.00 -0.58 1.09 3.14 -1.26 -3.15 118.33 118.12 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 0.59 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.37 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 -3.03 116.55 124.57 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 -3.79 118.16 118.02 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 3.81 0.00 -0.12 3.14 0.23 -1.26 -3.77 115.26 117.29 1cyu n ASN 90 Ca 0.00 0.00 -0.24 0.00 -0.53 0.00 0.00 54.58 53.81 1cyu n ASN 90 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 1cyu n ASN 90 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1cyu n LYS 91 N 0.00 0.53 -0.55 -3.83 4.01 -1.25 -4.36 118.16 112.72 1cyu n LYS 91 Ca 0.00 0.23 -0.03 0.00 -0.51 0.00 0.00 58.31 58.00 1cyu n LYS 91 Cb 0.00 -1.40 0.17 0.00 -0.51 0.00 0.00 35.03 33.29 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 -4.19 3.47 -4.56 4.39 -0.08 -1.21 -4.86 116.55 109.53 1cyu n ASP 92 Ca -0.44 -2.64 -0.22 0.00 -1.51 0.00 0.00 54.79 49.97 1cyu n ASP 92 Cb 0.80 -0.63 -0.06 0.00 2.34 0.00 0.00 41.12 43.57 1cyu n ASP 92 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1cyu n ASP 93 N 0.05 1.96 -4.50 1.67 -0.08 -1.26 -4.62 116.55 109.77 1cyu n ASP 93 Ca 0.22 -1.11 -0.34 0.00 -1.51 0.00 0.00 54.79 52.05 1cyu n ASP 93 Cb 0.91 -1.62 -0.12 0.00 2.34 0.00 0.00 41.12 42.62 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 8.68 3.70 -1.34 -0.67 2.02 -1.26 -5.01 118.70 124.81 1cyu s GLU 94 Ca 0.96 -0.50 -0.06 0.00 0.02 0.00 0.00 54.97 55.39 1cyu s GLU 94 Cb -0.16 -3.01 0.11 0.00 0.10 0.00 0.00 34.13 31.16 1cyu s GLU 94 CO 0.16 0.17 2.41 1.28 0.02 0.00 0.00 175.26 179.29 1cyu n LEU 95 N 3.78 8.06 -4.13 1.80 4.77 -1.26 -4.89 117.00 125.12 1cyu n LEU 95 Ca -0.17 -4.84 -0.15 0.00 -0.03 0.00 0.00 56.01 50.81 1cyu n LEU 95 Cb 0.52 -1.38 -0.05 0.00 -2.33 0.00 0.00 43.42 40.18 1cyu n LEU 95 CO 0.33 2.04 0.07 0.42 -1.33 0.00 0.00 177.39 178.91 1cyu s THR 96 N -0.85 0.00 0.01 -5.08 -4.23 -1.26 -5.00 115.64 99.23 1cyu s THR 96 Ca 0.55 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1cyu s THR 96 Cb 0.18 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.43 1cyu s THR 96 CO -0.09 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 1cyu n GLY 97 N -0.56 -3.53 0.43 3.99 0.00 -1.26 -4.82 105.19 99.44 1cyu n GLY 97 Ca 0.02 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.51 1cyu n GLY 97 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01