#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x57 n SER 2 N 0.00 -6.98 -4.76 1.61 2.88 -1.26 -4.97 113.62 100.14 1x57 n SER 2 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.17 1x57 n SER 2 Cb 0.00 -4.11 0.01 0.00 -0.75 0.00 0.00 64.21 59.36 1x57 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x57 s SER 3 N -2.56 5.92 -1.19 -3.46 0.15 -1.26 -4.97 113.70 106.34 1x57 s SER 3 Ca 0.17 2.47 -0.10 0.00 0.70 0.00 0.00 55.95 59.18 1x57 s SER 3 Cb -0.03 -2.62 0.22 0.00 -1.71 0.00 0.00 66.02 61.88 1x57 s SER 3 CO 0.80 -1.10 1.46 0.61 1.20 0.00 0.00 173.24 176.21 1x57 n GLY 4 N 0.55 4.14 3.57 9.45 0.00 -1.26 -4.91 105.19 116.72 1x57 n GLY 4 Ca 0.08 -2.27 -0.06 0.00 0.00 0.00 0.00 46.02 43.77 1x57 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x57 s SER 5 N 1.37 -0.22 0.00 1.61 0.01 -1.26 -5.07 113.70 110.14 1x57 s SER 5 Ca 0.38 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1x57 s SER 5 Cb -0.01 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.45 1x57 s SER 5 CO -0.00 -0.34 0.00 -1.54 0.41 0.00 0.00 173.24 171.76 1x57 n SER 6 N 0.00 0.00 0.00 2.44 3.41 -1.26 -5.12 113.62 113.09 1x57 n SER 6 Ca -0.03 -0.52 0.00 0.00 -0.26 0.00 0.00 58.87 58.05 1x57 n SER 6 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1x57 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x57 n GLY 7 N 0.00 1.13 2.58 5.00 0.00 -1.26 -4.96 105.19 107.67 1x57 n GLY 7 Ca 0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 1x57 n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x57 n ASP 8 N 2.09 -1.27 -4.48 1.61 2.03 -1.26 -5.15 116.55 110.12 1x57 n ASP 8 Ca 0.00 -2.30 -0.31 0.00 0.52 0.00 0.00 54.79 52.70 1x57 n ASP 8 Cb 0.00 2.24 0.18 0.00 -0.72 0.00 0.00 41.12 42.82 1x57 n ASP 8 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1x57 n ARG 9 N -0.41 -1.07 -4.44 -0.67 0.00 -1.26 -5.06 116.66 103.75 1x57 n ARG 9 Ca -0.02 -0.27 -0.24 0.00 -0.00 0.00 0.00 57.85 57.32 1x57 n ARG 9 Cb 0.43 -2.05 -0.08 0.00 -0.00 0.00 0.00 32.46 30.76 1x57 n ARG 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1x57 s VAL 10 N -2.44 0.38 0.75 8.89 -7.23 -1.26 -5.15 120.40 114.35 1x57 s VAL 10 Ca 0.62 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.69 1x57 s VAL 10 Cb -0.21 -2.38 0.04 0.00 0.56 0.00 0.00 36.38 34.39 1x57 s VAL 10 CO 0.64 0.00 1.08 0.42 -0.31 0.00 0.00 175.10 176.93 1x57 s THR 11 N -3.29 3.52 0.57 5.32 -4.23 -1.26 -4.77 115.64 111.50 1x57 s THR 11 Ca 0.29 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 61.29 1x57 s THR 11 Cb 0.02 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.78 1x57 s THR 11 CO 0.19 -0.65 0.00 0.18 -0.54 0.00 0.00 174.62 173.80 1x57 n LEU 12 N -3.40 -1.25 -0.03 4.79 4.32 -1.26 -3.34 117.00 116.82 1x57 n LEU 12 Ca 0.08 2.44 -0.13 0.00 -0.02 0.00 0.00 56.01 58.39 1x57 n LEU 12 Cb 0.53 -2.82 -0.09 0.00 -1.62 0.00 0.00 43.42 39.42 1x57 n LEU 12 CO 0.54 -1.38 0.61 -0.33 -1.22 0.00 0.00 177.39 175.61 1x57 h GLU 13 N -0.60 0.11 0.41 3.23 5.08 -1.99 -3.03 114.58 117.79 1x57 h GLU 13 Ca -0.10 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1x57 h GLU 13 Cb 1.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1x57 h GLU 13 CO 0.04 0.59 -0.28 0.28 -1.00 0.00 0.00 179.01 178.65 1x57 h VAL 14 N -0.37 0.00 -0.87 3.13 2.07 -1.87 0.10 116.25 118.44 1x57 h VAL 14 Ca 0.01 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.72 1x57 h VAL 14 Cb 0.58 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.24 1x57 h VAL 14 CO 0.01 0.00 0.38 1.23 0.02 0.00 0.00 177.57 179.21 1x57 h GLY 15 N -0.65 1.44 0.63 2.17 0.00 -1.72 0.10 103.07 105.04 1x57 h GLY 15 Ca -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1x57 h GLY 15 CO 0.04 -0.20 -0.08 1.70 0.00 0.00 0.00 176.54 178.00 1x57 h LYS 16 N 0.44 -0.22 -0.20 4.80 3.64 -1.39 -1.98 116.57 121.67 1x57 h LYS 16 Ca 0.52 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.94 1x57 h LYS 16 Cb 0.92 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1x57 h LYS 16 CO -0.49 0.13 0.13 0.28 -2.27 0.00 0.00 179.45 177.24 1x57 h VAL 17 N -0.60 1.00 0.80 2.00 2.07 -0.28 0.13 116.25 121.37 1x57 h VAL 17 Ca -0.02 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1x57 h VAL 17 Cb 0.45 0.81 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1x57 h VAL 17 CO 0.04 0.03 -0.38 0.40 0.02 0.00 0.00 177.57 177.68 1x57 h ILE 18 N 0.18 0.17 -0.30 4.57 2.04 -0.73 0.16 117.51 123.59 1x57 h ILE 18 Ca 0.08 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1x57 h ILE 18 Cb 0.11 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1x57 h ILE 18 CO -0.01 0.01 0.20 -0.61 0.00 0.00 0.00 178.15 177.73 1x57 h GLN 19 N -1.14 0.40 -0.02 2.37 4.15 -0.64 -0.66 115.11 119.56 1x57 h GLN 19 Ca -0.11 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.29 1x57 h GLN 19 Cb 0.83 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.43 1x57 h GLN 19 CO 0.18 0.27 0.02 1.96 -1.93 0.00 0.00 178.83 179.32 1x57 h GLN 20 N 0.41 0.03 -0.11 1.69 4.20 -0.79 -0.59 115.11 119.96 1x57 h GLN 20 Ca 0.11 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.72 1x57 h GLN 20 Cb -0.05 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1x57 h GLN 20 CO -0.02 0.04 -0.37 0.78 -0.67 0.00 0.00 178.83 178.59 1x57 h GLY 21 N 0.02 0.23 0.84 3.46 0.00 -0.48 0.23 103.07 107.37 1x57 h GLY 21 Ca 0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1x57 h GLY 21 CO -0.00 0.19 -0.42 3.21 0.00 0.00 0.00 176.54 179.52 1x57 h ARG 22 N 0.19 -1.11 0.00 4.80 3.08 -0.98 -3.25 114.38 117.10 1x57 h ARG 22 Ca 0.02 0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1x57 h ARG 22 Cb 0.74 0.25 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 1x57 h ARG 22 CO 0.06 -0.74 -0.05 -0.56 -1.07 0.00 0.00 179.97 177.61 1x57 h GLN 23 N -1.15 0.00 0.00 0.04 -0.00 -0.78 0.61 115.11 113.83 1x57 h GLN 23 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.54 1x57 h GLN 23 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.37 1x57 h GLN 23 CO 0.18 0.05 0.00 1.03 -0.00 0.00 0.00 178.83 180.09 1x57 h SER 24 N 0.00 0.00 0.00 0.06 0.87 -0.59 -2.54 113.55 111.34 1x57 h SER 24 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x57 h SER 24 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1x57 h SER 24 CO 0.01 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.60 1x57 n LYS 25 N -2.54 -0.10 -0.80 2.24 5.02 0.12 -5.00 118.16 117.10 1x57 n LYS 25 Ca -0.01 -0.50 0.00 0.00 -2.02 0.00 0.00 58.31 55.77 1x57 n LYS 25 Cb 0.08 -0.83 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 1x57 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x57 n GLY 26 N -0.07 0.58 3.78 0.72 0.00 -0.70 -4.97 105.19 104.53 1x57 n GLY 26 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1x57 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x57 s LEU 27 N 0.00 4.25 0.82 0.99 1.43 -0.65 -4.87 118.68 120.65 1x57 s LEU 27 Ca 0.00 1.88 -0.10 0.00 -1.03 0.00 0.00 54.13 54.88 1x57 s LEU 27 Cb 0.00 -4.11 0.13 0.00 0.03 0.00 0.00 46.19 42.24 1x57 s LEU 27 CO 0.00 -0.21 1.15 0.42 0.23 0.00 0.00 176.35 177.94 1x57 s THR 28 N -1.68 2.10 0.18 5.49 -4.23 -1.26 -4.37 115.64 111.87 1x57 s THR 28 Ca 0.53 -0.19 -0.07 0.00 -1.18 0.00 0.00 61.69 60.78 1x57 s THR 28 Cb -0.19 -2.91 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 1x57 s THR 28 CO 0.24 0.00 1.54 1.56 -0.54 0.00 0.00 174.62 177.42 1x57 h GLN 29 N -1.05 0.83 -0.82 3.99 4.20 -1.97 -1.93 115.11 118.36 1x57 h GLN 29 Ca -0.43 -0.40 0.03 0.00 0.06 0.00 0.00 58.65 57.91 1x57 h GLN 29 Cb 1.28 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.01 1x57 h GLN 29 CO 0.48 1.04 0.53 0.87 -0.67 0.00 0.00 178.83 181.08 1x57 h LYS 30 N 0.69 1.01 -0.52 1.46 1.57 -1.94 -0.10 116.57 118.74 1x57 h LYS 30 Ca 0.07 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1x57 h LYS 30 Cb 0.89 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1x57 h LYS 30 CO 0.08 0.67 0.20 -0.44 -0.57 0.00 0.00 179.45 179.38 1x57 h ASP 31 N 1.04 0.72 -0.07 0.86 3.32 -1.89 -1.78 116.42 118.63 1x57 h ASP 31 Ca 0.32 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1x57 h ASP 31 Cb -0.01 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 1x57 h ASP 31 CO -0.11 0.71 0.04 0.25 -1.72 0.00 0.00 179.24 178.41 1x57 h LEU 32 N 0.70 0.08 -0.63 1.55 7.12 -0.93 0.05 115.31 123.24 1x57 h LEU 32 Ca 0.17 -0.07 0.09 0.00 0.13 0.00 0.00 57.88 58.21 1x57 h LEU 32 Cb 0.22 -0.02 -0.07 0.00 -0.53 0.00 0.00 40.66 40.26 1x57 h LEU 32 CO -0.01 0.12 0.26 0.00 -0.13 0.00 0.00 178.44 178.69 1x57 h ALA 33 N 0.96 0.83 -0.14 1.25 0.00 -0.89 -1.48 119.26 119.80 1x57 h ALA 33 Ca 0.02 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1x57 h ALA 33 Cb 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1x57 h ALA 33 CO -0.00 -0.15 0.07 1.15 0.00 0.00 0.00 179.25 180.32 1x57 h THR 34 N 0.46 1.10 -0.42 0.00 2.02 -1.01 0.59 112.91 115.65 1x57 h THR 34 Ca 0.32 -0.28 0.12 0.00 0.77 0.00 0.00 66.41 67.33 1x57 h THR 34 Cb 0.37 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1x57 h THR 34 CO -0.29 0.09 0.37 0.11 0.37 0.00 0.00 175.52 176.17 1x57 h LYS 35 N 0.12 0.00 -0.30 6.66 1.57 0.02 -1.31 116.57 123.33 1x57 h LYS 35 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1x57 h LYS 35 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1x57 h LYS 35 CO -0.01 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 179.31 1x57 n ILE 36 N -4.03 1.01 -4.11 1.86 -5.35 -0.82 -4.88 119.36 103.03 1x57 n ILE 36 Ca 0.07 -1.00 -0.29 0.00 -0.27 0.00 0.00 62.75 61.26 1x57 n ILE 36 Cb 0.56 0.50 -0.05 0.00 -1.74 0.00 0.00 39.64 38.91 1x57 n ILE 36 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1x57 n ASN 37 N 0.38 -0.25 -1.76 7.28 4.13 -0.33 -4.97 115.26 119.74 1x57 n ASN 37 Ca 0.10 -1.10 -0.04 0.00 1.68 0.00 0.00 54.58 55.22 1x57 n ASN 37 Cb 0.41 -2.52 -0.01 0.00 -1.54 0.00 0.00 39.78 36.12 1x57 n ASN 37 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1x57 n GLU 38 N -4.45 0.74 -3.42 3.52 2.13 0.05 -5.02 120.64 114.20 1x57 n GLU 38 Ca -0.27 -0.54 -0.37 0.00 0.66 0.00 0.00 57.16 56.65 1x57 n GLU 38 Cb 0.66 0.32 -0.06 0.00 0.27 0.00 0.00 31.44 32.63 1x57 n GLU 38 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1x57 s LYS 39 N -2.24 3.98 0.01 5.31 -0.14 -1.26 -4.38 119.74 121.02 1x57 s LYS 39 Ca 0.04 0.48 0.13 0.00 -1.36 0.00 0.00 55.97 55.26 1x57 s LYS 39 Cb 0.00 -3.12 0.55 0.00 -1.68 0.00 0.00 37.83 33.58 1x57 s LYS 39 CO 0.03 0.60 1.41 -0.35 -0.76 0.00 0.00 175.35 176.28 1x57 n PRO 40 N 1.40 0.01 0.09 -1.68 -0.04 -1.26 -2.01 135.00 131.50 1x57 n PRO 40 Ca -0.10 0.29 -0.14 0.00 -0.04 0.00 0.00 63.50 63.52 1x57 n PRO 40 Cb 0.52 -1.51 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 1x57 n PRO 40 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1x57 h GLN 41 N 0.00 -0.60 0.00 0.54 5.75 -1.95 -1.70 115.11 117.16 1x57 h GLN 41 Ca 0.00 0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.48 1x57 h GLN 41 Cb 0.22 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 1x57 h GLN 41 CO 0.00 -0.40 -0.30 -0.39 -2.65 0.00 0.00 178.83 175.09 1x57 h VAL 42 N -0.62 1.17 -0.41 2.39 -1.51 -1.82 -1.03 116.25 114.42 1x57 h VAL 42 Ca -0.00 -1.06 -0.02 0.00 -1.23 0.00 0.00 66.70 64.39 1x57 h VAL 42 Cb 0.63 1.58 -0.02 0.00 -2.13 0.00 0.00 31.29 31.35 1x57 h VAL 42 CO -0.25 0.30 0.18 0.40 -1.23 0.00 0.00 177.57 176.97 1x57 h ILE 43 N 0.00 1.19 -0.86 7.19 1.08 -1.50 0.36 117.51 124.96 1x57 h ILE 43 Ca -0.00 -0.55 -0.02 0.00 -0.39 0.00 0.00 64.86 63.90 1x57 h ILE 43 Cb 0.56 0.79 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 1x57 h ILE 43 CO 0.04 0.20 0.45 0.00 -0.69 0.00 0.00 178.15 178.16 1x57 h ALA 44 N 1.03 1.17 -0.76 1.87 0.00 -0.73 -1.48 119.26 120.37 1x57 h ALA 44 Ca 0.14 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1x57 h ALA 44 Cb 0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1x57 h ALA 44 CO -0.01 0.65 0.27 -0.44 0.00 0.00 0.00 179.25 179.72 1x57 h ASP 45 N 1.21 1.07 -0.42 0.00 3.32 -0.28 -1.71 116.42 119.61 1x57 h ASP 45 Ca 0.30 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1x57 h ASP 45 Cb 0.06 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1x57 h ASP 45 CO -0.05 0.98 0.17 1.88 -1.72 0.00 0.00 179.24 180.50 1x57 h TYR 46 N 1.11 0.65 -0.04 4.55 0.05 -0.14 0.14 116.97 123.30 1x57 h TYR 46 Ca 0.25 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.97 1x57 h TYR 46 Cb 0.26 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 37.80 1x57 h TYR 46 CO 0.02 0.56 -0.01 0.93 -1.05 0.00 0.00 178.16 178.62 1x57 h GLU 47 N 0.54 0.05 0.00 4.88 5.08 -0.87 -2.64 114.58 121.63 1x57 h GLU 47 Ca 0.14 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1x57 h GLU 47 Cb 0.19 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1x57 h GLU 47 CO -0.01 0.07 -1.03 0.43 -1.00 0.00 0.00 179.01 177.47 1x57 n SER 48 N -4.49 0.80 -0.50 1.42 7.64 -0.68 -4.75 113.62 113.06 1x57 n SER 48 Ca -0.02 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1x57 n SER 48 Cb 0.12 0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1x57 n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x57 n GLY 49 N 1.20 0.84 0.60 0.23 0.00 -0.39 -5.01 105.19 102.66 1x57 n GLY 49 Ca 0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 1x57 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x57 n ARG 50 N -0.50 0.17 -1.61 1.61 5.12 0.37 -5.03 116.66 116.80 1x57 n ARG 50 Ca 0.00 0.07 -0.37 0.00 -1.93 0.00 0.00 57.85 55.61 1x57 n ARG 50 Cb 0.40 -0.86 0.06 0.00 -1.16 0.00 0.00 32.46 30.90 1x57 n ARG 50 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x57 n ALA 51 N -3.21 0.13 -2.09 7.54 0.00 -1.13 -4.92 120.51 116.83 1x57 n ALA 51 Ca -0.15 -0.02 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 1x57 n ALA 51 Cb 0.62 -2.11 -0.03 0.00 0.00 0.00 0.00 19.45 17.93 1x57 n ALA 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x57 s ILE 52 N -1.54 3.70 -0.20 0.00 -1.09 -1.26 -4.89 121.20 115.92 1x57 s ILE 52 Ca 0.77 0.81 -0.29 0.00 -2.23 0.00 0.00 60.65 59.71 1x57 s ILE 52 Cb -0.41 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 36.82 1x57 s ILE 52 CO 0.46 -0.18 1.60 -2.16 -1.23 0.00 0.00 174.94 173.43 1x57 s PRO 53 N 4.34 3.85 -0.10 2.79 0.04 -1.26 -4.97 135.00 139.68 1x57 s PRO 53 Ca 0.71 1.70 0.01 0.00 0.04 0.00 0.00 61.00 63.46 1x57 s PRO 53 Cb -0.28 -4.02 0.02 0.00 0.04 0.00 0.00 34.50 30.26 1x57 s PRO 53 CO 0.28 -1.23 -0.11 1.21 0.04 0.00 0.00 177.00 177.19 1x57 s ASN 54 N 4.03 2.20 0.54 6.66 2.47 -1.26 -5.03 114.94 124.55 1x57 s ASN 54 Ca 0.71 -0.35 0.30 0.00 0.42 0.00 0.00 52.86 53.93 1x57 s ASN 54 Cb -0.25 -0.94 1.47 0.00 -1.45 0.00 0.00 41.25 40.07 1x57 s ASN 54 CO 0.28 -0.04 1.91 -0.55 -3.72 0.00 0.00 177.10 174.98 1x57 h ASN 55 N 7.66 0.00 -0.30 -4.21 -1.07 -1.98 1.00 115.58 116.69 1x57 h ASN 55 Ca -0.32 0.00 0.02 0.00 0.07 0.00 0.00 56.30 56.08 1x57 h ASN 55 Cb 1.16 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.38 1x57 h ASN 55 CO 0.46 0.00 0.14 -0.61 0.07 0.00 0.00 177.43 177.50 1x57 h GLN 56 N 0.00 0.30 0.07 4.14 4.15 -2.00 -2.44 115.11 119.33 1x57 h GLN 56 Ca 0.38 -0.02 -0.35 0.00 0.77 0.00 0.00 58.65 59.43 1x57 h GLN 56 Cb 1.55 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 29.14 1x57 h GLN 56 CO -0.00 0.20 -1.98 0.28 -1.93 0.00 0.00 178.83 175.39 1x57 n VAL 57 N -4.96 1.69 -0.26 2.39 0.31 0.14 -3.69 118.33 113.94 1x57 n VAL 57 Ca -0.01 -0.70 0.08 0.00 -0.01 0.00 0.00 64.34 63.70 1x57 n VAL 57 Cb 0.07 -1.43 0.21 0.00 -0.91 0.00 0.00 33.84 31.78 1x57 n VAL 57 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1x57 h LEU 58 N 0.04 -0.04 -0.98 7.52 3.38 -1.08 0.11 115.31 124.26 1x57 h LEU 58 Ca -0.40 0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.77 1x57 h LEU 58 Cb 2.03 0.24 -0.06 0.00 0.09 0.00 0.00 40.66 42.96 1x57 h LEU 58 CO 0.07 -0.09 0.64 1.23 0.09 0.00 0.00 178.44 180.38 1x57 h GLY 59 N 0.23 1.43 0.83 0.83 0.00 -1.54 0.52 103.07 105.38 1x57 h GLY 59 Ca 0.45 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1x57 h GLY 59 CO -0.57 0.42 0.03 0.50 0.00 0.00 0.00 176.54 176.91 1x57 h LYS 60 N 1.24 0.27 -0.56 4.80 1.57 -0.91 -2.75 116.57 120.22 1x57 h LYS 60 Ca 0.39 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1x57 h LYS 60 Cb 0.00 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1x57 h LYS 60 CO -0.12 0.43 0.29 0.82 -0.57 0.00 0.00 179.45 180.30 1x57 h ILE 61 N 0.06 1.18 -0.07 1.86 2.04 -0.60 -0.50 117.51 121.49 1x57 h ILE 61 Ca 0.05 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.45 1x57 h ILE 61 Cb 0.29 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1x57 h ILE 61 CO 0.00 0.20 -0.03 -0.33 0.00 0.00 0.00 178.15 178.00 1x57 h GLU 62 N 0.78 -0.02 0.00 2.37 5.08 -0.74 -1.10 114.58 120.94 1x57 h GLU 62 Ca 0.20 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1x57 h GLU 62 Cb 0.05 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1x57 h GLU 62 CO -0.03 -0.02 -0.14 0.00 -1.00 0.00 0.00 179.01 177.82 1x57 h ARG 63 N -0.02 0.00 0.59 2.33 3.08 -1.14 0.25 114.38 119.46 1x57 h ARG 63 Ca 0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1x57 h ARG 63 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1x57 h ARG 63 CO -0.08 0.14 -0.29 0.00 -1.07 0.00 0.00 179.97 178.67 1x57 h ALA 64 N 1.86 -0.80 0.00 0.04 0.00 0.19 -3.22 119.26 117.33 1x57 h ALA 64 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1x57 h ALA 64 Cb 0.40 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1x57 h ALA 64 CO 0.02 -0.95 -1.06 0.44 0.00 0.00 0.00 179.25 177.70 1x57 n ILE 65 N -5.44 0.25 -3.17 0.00 -5.35 -0.98 -4.98 119.36 99.69 1x57 n ILE 65 Ca -0.13 -0.32 -0.15 0.00 -0.27 0.00 0.00 62.75 61.88 1x57 n ILE 65 Cb 0.33 0.07 0.05 0.00 -1.74 0.00 0.00 39.64 38.35 1x57 n ILE 65 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x57 n GLY 66 N 1.33 -0.01 3.25 3.28 0.00 0.86 -4.99 105.19 108.90 1x57 n GLY 66 Ca 0.01 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 1x57 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x57 s LEU 67 N -5.01 1.92 0.32 0.99 1.43 -1.07 -2.97 118.68 114.28 1x57 s LEU 67 Ca 0.37 -1.24 -0.28 0.00 -1.03 0.00 0.00 54.13 51.95 1x57 s LEU 67 Cb -0.16 0.02 -0.09 0.00 0.03 0.00 0.00 46.19 45.98 1x57 s LEU 67 CO 0.45 -0.64 1.11 -0.54 0.23 0.00 0.00 176.35 176.97 1x57 s LYS 68 N -3.97 4.47 0.00 1.70 1.02 0.86 -4.38 119.74 119.45 1x57 s LYS 68 Ca 0.28 1.79 0.01 0.00 0.02 0.00 0.00 55.97 58.06 1x57 s LYS 68 Cb 0.07 -3.01 0.01 0.00 -0.52 0.00 0.00 37.83 34.38 1x57 s LYS 68 CO 0.07 0.06 0.78 1.28 -0.92 0.00 0.00 175.35 176.62 1x57 n LEU 69 N 0.81 1.59 -3.91 3.17 7.99 -1.26 -1.35 117.00 124.05 1x57 n LEU 69 Ca 0.01 -1.52 -0.11 0.00 -0.01 0.00 0.00 56.01 54.38 1x57 n LEU 69 Cb 0.46 -0.01 -0.11 0.00 -0.11 0.00 0.00 43.42 43.64 1x57 n LEU 69 CO 0.52 0.39 -0.28 -0.13 -1.51 0.00 0.00 177.39 176.39 1x57 s ARG 70 N -0.56 0.30 0.13 3.23 0.52 -1.26 -4.82 118.95 116.49 1x57 s ARG 70 Ca 0.01 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 1x57 s ARG 70 Cb 0.01 0.12 0.00 0.00 0.52 0.00 0.00 34.95 35.60 1x57 s ARG 70 CO 0.01 -0.06 0.00 0.41 0.02 0.00 0.00 175.30 175.68 1x57 n GLY 71 N 1.97 -2.28 0.04 -3.53 0.00 -1.26 -4.22 105.19 95.90 1x57 n GLY 71 Ca -0.20 -1.39 0.08 0.00 0.00 0.00 0.00 46.02 44.51 1x57 n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x57 n LYS 72 N -2.85 0.06 0.00 1.61 5.02 -1.26 -2.07 118.16 118.67 1x57 n LYS 72 Ca -0.01 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1x57 n LYS 72 Cb 0.16 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 1x57 n LYS 72 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1x57 n ASP 73 N -1.75 0.26 -4.55 4.39 9.92 -1.26 -4.91 116.55 118.65 1x57 n ASP 73 Ca 0.03 -1.40 -0.38 0.00 -0.53 0.00 0.00 54.79 52.51 1x57 n ASP 73 Cb 0.17 -0.13 0.05 0.00 -0.64 0.00 0.00 41.12 40.57 1x57 n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x57 n ILE 74 N -0.26 3.02 0.00 0.53 3.06 -0.88 -2.52 119.36 122.32 1x57 n ILE 74 Ca 0.00 -0.49 0.00 0.00 -2.50 0.00 0.00 62.75 59.76 1x57 n ILE 74 Cb 0.07 -0.93 0.00 0.00 0.54 0.00 0.00 39.64 39.31 1x57 n ILE 74 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1x57 n GLY 75 N 1.50 2.33 3.78 4.50 0.00 -0.45 -4.93 105.19 111.91 1x57 n GLY 75 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1x57 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x57 s LYS 76 N 0.00 3.39 0.78 1.61 -0.14 -1.05 -4.75 119.74 119.57 1x57 s LYS 76 Ca 0.00 1.54 -0.11 0.00 -1.36 0.00 0.00 55.97 56.04 1x57 s LYS 76 Cb 0.00 -2.02 0.06 0.00 -1.68 0.00 0.00 37.83 34.19 1x57 s LYS 76 CO 0.00 -0.81 1.08 -1.25 -0.76 0.00 0.00 175.35 173.62 1x57 s PRO 77 N -3.37 2.25 -0.05 -1.68 0.04 -1.26 -0.10 135.00 130.83 1x57 s PRO 77 Ca 0.71 0.87 0.02 0.00 0.04 0.00 0.00 61.00 62.63 1x57 s PRO 77 Cb -0.22 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1x57 s PRO 77 CO 0.27 -1.57 -0.07 0.96 0.04 0.00 0.00 177.00 176.64 1x57 s ILE 78 N -3.04 3.67 -1.37 0.56 -4.36 -1.16 -4.60 121.20 110.91 1x57 s ILE 78 Ca 0.60 -0.57 0.00 0.00 -0.26 0.00 0.00 60.65 60.42 1x57 s ILE 78 Cb -0.15 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 41.03 1x57 s ILE 78 CO 0.55 0.54 0.00 -0.62 0.24 0.00 0.00 174.94 175.65 1x57 n GLU 79 N 2.03 -1.60 -1.49 0.37 -0.58 -1.26 -4.88 120.64 113.23 1x57 n GLU 79 Ca -0.17 0.76 -0.37 0.00 -0.42 0.00 0.00 57.16 56.96 1x57 n GLU 79 Cb 0.53 -5.15 -0.03 0.00 -0.57 0.00 0.00 31.44 26.21 1x57 n GLU 79 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1x57 n LYS 80 N -2.25 3.82 -1.05 3.49 0.00 -1.26 -4.85 118.16 116.07 1x57 n LYS 80 Ca -0.15 -2.49 0.00 0.00 0.00 0.00 0.00 58.31 55.67 1x57 n LYS 80 Cb 0.52 -2.68 0.00 0.00 0.00 0.00 0.00 35.03 32.86 1x57 n LYS 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x57 n GLY 81 N 2.90 0.35 2.11 3.14 0.00 -1.26 -5.12 105.19 107.31 1x57 n GLY 81 Ca 0.71 -1.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 1x57 n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x57 n PRO 82 N -0.10 -1.39 -3.69 1.61 -0.04 -1.26 -4.55 135.00 125.58 1x57 n PRO 82 Ca 0.00 -1.10 -0.22 0.00 -0.04 0.00 0.00 63.50 62.14 1x57 n PRO 82 Cb 0.00 -0.85 0.04 0.00 -0.04 0.00 0.00 33.50 32.66 1x57 n PRO 82 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1x57 n ARG 83 N -2.96 -5.43 -0.81 0.54 0.00 -1.26 -5.00 116.66 101.74 1x57 n ARG 83 Ca 0.09 0.66 -0.29 0.00 -0.00 0.00 0.00 57.85 58.31 1x57 n ARG 83 Cb 0.33 -5.37 0.23 0.00 0.00 0.00 0.00 32.46 27.66 1x57 n ARG 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x57 s ALA 84 N -3.55 0.06 0.00 5.13 0.00 -1.26 -4.94 121.76 117.20 1x57 s ALA 84 Ca 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1x57 s ALA 84 Cb -0.07 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1x57 s ALA 84 CO 0.80 -3.65 0.00 1.63 0.00 0.00 0.00 175.76 174.54 1x57 n LYS 85 N -4.80 0.00 0.09 0.00 5.02 -1.26 -4.97 118.16 112.24 1x57 n LYS 85 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1x57 n LYS 85 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.58 1x57 n LYS 85 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1x57 n SER 86 N -3.34 -1.23 -3.12 4.39 2.88 -1.26 -5.13 113.62 106.80 1x57 n SER 86 Ca 0.00 0.32 -0.16 0.00 -1.33 0.00 0.00 58.87 57.70 1x57 n SER 86 Cb 0.00 1.38 0.11 0.00 -0.75 0.00 0.00 64.21 64.95 1x57 n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x57 n GLY 87 N -0.56 -1.13 3.73 0.46 0.00 -1.26 -5.08 105.19 101.34 1x57 n GLY 87 Ca 0.00 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 1x57 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x57 s PRO 88 N -4.58 1.07 0.00 1.61 0.04 -1.26 -5.09 135.00 126.79 1x57 s PRO 88 Ca 0.42 0.57 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1x57 s PRO 88 Cb -0.01 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1x57 s PRO 88 CO 0.30 -2.31 0.00 0.43 0.04 0.00 0.00 177.00 175.46 1x57 n SER 89 N -3.89 0.00 0.15 6.66 7.64 -1.26 -5.05 113.62 117.87 1x57 n SER 89 Ca 0.06 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.87 1x57 n SER 89 Cb 0.57 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.74 1x57 n SER 89 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x57 h SER 90 N 0.00 -0.39 0.00 6.43 0.02 -2.09 -3.54 113.55 113.98 1x57 h SER 90 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1x57 h SER 90 Cb 0.00 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1x57 h SER 90 CO 0.00 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.32