#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m99 h ILE 8 N 0.00 1.19 0.00 12.58 2.04 -2.06 -3.28 117.51 127.98 3m99 h ILE 8 Ca 0.00 -2.70 -0.32 0.00 1.00 0.00 0.00 64.86 62.85 3m99 h ILE 8 Cb 0.00 2.58 -0.06 0.00 -0.74 0.00 0.00 36.82 38.60 3m99 h ILE 8 CO 0.00 0.68 -2.19 0.47 0.00 0.00 0.00 178.15 177.10 3m99 n ASP 9 N -3.26 1.37 -0.36 1.72 9.92 -1.26 -3.94 116.55 120.74 3m99 n ASP 9 Ca 0.01 -0.04 0.09 0.00 -0.53 0.00 0.00 54.79 54.31 3m99 n ASP 9 Cb 0.82 0.44 0.27 0.00 -0.64 0.00 0.00 41.12 42.02 3m99 n ASP 9 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 3m99 h SER 10 N 0.00 0.87 -0.19 -2.24 0.02 -2.00 0.33 113.55 110.35 3m99 h SER 10 Ca -0.47 0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 60.39 3m99 h SER 10 Cb 1.94 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.38 3m99 h SER 10 CO -0.01 0.41 -0.47 0.40 -1.14 0.00 0.00 176.83 176.01 3m99 h ILE 11 N 0.91 1.32 0.91 3.27 1.08 -1.75 -2.54 117.51 120.71 3m99 h ILE 11 Ca 0.53 -1.71 -0.04 0.00 -0.39 0.00 0.00 64.86 63.24 3m99 h ILE 11 Cb 0.64 1.90 0.01 0.00 -3.07 0.00 0.00 36.82 36.30 3m99 h ILE 11 CO -0.31 0.53 -0.47 0.28 -0.69 0.00 0.00 178.15 177.49 3m99 h SER 12 N 0.34 -1.15 -0.11 1.72 0.02 -1.47 0.83 113.55 113.73 3m99 h SER 12 Ca -0.01 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3m99 h SER 12 Cb 1.09 0.31 -0.00 0.00 0.14 0.00 0.00 62.40 63.93 3m99 h SER 12 CO 0.10 -0.78 0.16 0.78 -1.14 0.00 0.00 176.83 175.96 3m99 h ASN 13 N -1.27 0.00 0.37 3.07 2.35 -1.05 0.18 115.58 119.22 3m99 h ASN 13 Ca -0.12 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 3m99 h ASN 13 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 3m99 h ASN 13 CO 0.18 0.00 -0.18 1.23 -1.65 0.00 0.00 177.43 177.02 3m99 h GLY 14 N 0.00 -0.51 0.17 2.83 0.00 -1.07 -0.99 103.07 103.50 3m99 h GLY 14 Ca 0.05 0.19 0.19 0.00 0.00 0.00 0.00 47.33 47.77 3m99 h GLY 14 CO -0.00 -0.19 0.61 -2.22 0.00 0.00 0.00 176.54 174.75 3m99 h ILE 15 N -1.01 0.70 0.14 2.60 1.08 0.69 1.00 117.51 122.70 3m99 h ILE 15 Ca -0.05 -0.24 -0.01 0.00 -0.39 0.00 0.00 64.86 64.18 3m99 h ILE 15 Cb 0.51 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.21 3m99 h ILE 15 CO 0.08 0.13 -0.07 0.25 -0.69 0.00 0.00 178.15 177.85 3m99 h LEU 16 N 0.69 -0.16 -1.92 1.44 5.85 -0.77 -2.56 115.31 117.88 3m99 h LEU 16 Ca 0.56 -0.35 0.09 0.00 0.84 0.00 0.00 57.88 59.01 3m99 h LEU 16 Cb 0.96 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3m99 h LEU 16 CO -0.33 0.31 0.26 -1.13 -0.34 0.00 0.00 178.44 177.21 3m99 h ASN 17 N -0.68 0.08 0.09 1.25 -1.24 -0.27 0.17 115.58 114.98 3m99 h ASN 17 Ca -0.02 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 3m99 h ASN 17 Cb 0.50 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.54 3m99 h ASN 17 CO 0.03 0.05 -0.04 0.78 -1.29 0.00 0.00 177.43 176.96 3m99 h ASN 18 N 0.09 -0.10 -0.84 1.15 4.21 -0.80 -0.20 115.58 119.09 3m99 h ASN 18 Ca 0.17 -0.33 0.01 0.00 1.21 0.00 0.00 56.30 57.37 3m99 h ASN 18 Cb 0.58 0.03 -0.04 0.00 -1.12 0.00 0.00 38.32 37.76 3m99 h ASN 18 CO -0.02 0.28 0.55 -0.07 -1.29 0.00 0.00 177.43 176.89 3m99 h LEU 19 N -0.50 0.95 -0.41 1.61 3.38 -0.91 -1.94 115.31 117.49 3m99 h LEU 19 Ca -0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3m99 h LEU 19 Cb 0.42 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3m99 h LEU 19 CO 0.02 0.68 0.12 -0.07 0.09 0.00 0.00 178.44 179.28 3m99 h LEU 20 N 1.12 0.61 -0.12 1.67 3.38 -0.63 -2.73 115.31 118.61 3m99 h LEU 20 Ca 0.31 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3m99 h LEU 20 Cb -0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 3m99 h LEU 20 CO -0.08 0.67 -0.20 0.71 0.09 0.00 0.00 178.44 179.63 3m99 h THR 21 N 0.52 1.37 -0.72 0.22 1.35 -0.88 0.24 112.91 115.02 3m99 h THR 21 Ca 0.13 -1.44 0.16 0.00 -0.55 0.00 0.00 66.41 64.71 3m99 h THR 21 Cb 0.28 2.01 -0.04 0.00 -1.73 0.00 0.00 68.15 68.67 3m99 h THR 21 CO -0.00 0.42 0.49 0.74 -0.25 0.00 0.00 175.52 176.92 3m99 h THR 22 N -0.05 0.76 0.22 6.82 2.02 -1.40 0.20 112.91 121.48 3m99 h THR 22 Ca 0.01 -0.10 -0.33 0.00 0.77 0.00 0.00 66.41 66.75 3m99 h THR 22 Cb 0.77 0.44 0.03 0.00 -1.74 0.00 0.00 68.15 67.64 3m99 h THR 22 CO 0.05 0.05 -1.53 0.25 0.37 0.00 0.00 175.52 174.71 3m99 h LEU 23 N 0.30 0.73 -0.39 2.58 6.46 -1.15 -1.83 115.31 122.00 3m99 h LEU 23 Ca 0.35 -0.85 -0.04 0.00 -0.12 0.00 0.00 57.88 57.23 3m99 h LEU 23 Cb 0.95 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 3m99 h LEU 23 CO -0.09 1.68 0.10 0.40 -0.62 0.00 0.00 178.44 179.90 3m99 h ILE 24 N 0.13 1.23 -0.25 4.05 1.08 -0.21 -1.63 117.51 121.90 3m99 h ILE 24 Ca -0.26 -0.78 -0.09 0.00 -0.39 0.00 0.00 64.86 63.33 3m99 h ILE 24 Cb 2.13 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 36.85 3m99 h ILE 24 CO 0.24 0.27 -0.23 1.56 -0.69 0.00 0.00 178.15 179.30 3m99 h GLN 25 N 0.50 0.47 -0.04 2.37 4.20 -0.67 -1.98 115.11 119.95 3m99 h GLN 25 Ca 0.12 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3m99 h GLN 25 Cb 0.31 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 3m99 h GLN 25 CO 0.00 0.67 -0.01 0.22 -0.67 0.00 0.00 178.83 179.04 3m99 h ASP 26 N 0.42 0.08 -0.16 1.46 3.58 -1.27 -1.62 116.42 118.91 3m99 h ASP 26 Ca 0.06 -0.40 0.05 0.00 0.42 0.00 0.00 57.03 57.17 3m99 h ASP 26 Cb 0.64 -0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.61 3m99 h ASP 26 CO 0.05 0.46 -0.21 0.40 -2.88 0.00 0.00 179.24 177.06 3m99 h ILE 27 N -0.30 0.47 -0.55 2.25 1.08 -1.11 -2.82 117.51 116.54 3m99 h ILE 27 Ca 0.01 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.42 3m99 h ILE 27 Cb 0.43 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 3m99 h ILE 27 CO 0.00 0.00 0.10 0.58 -0.69 0.00 0.00 178.15 178.14 3m99 h VAL 28 N -0.25 1.25 -0.67 1.67 2.07 -1.43 -2.89 116.25 115.99 3m99 h VAL 28 Ca 0.11 -0.94 0.16 0.00 0.82 0.00 0.00 66.70 66.85 3m99 h VAL 28 Cb 0.41 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3m99 h VAL 28 CO -0.31 0.34 0.47 0.00 0.02 0.00 0.00 177.57 178.09 3m99 h ALA 29 N 1.00 2.37 0.00 1.67 0.00 -1.05 -0.50 119.26 122.75 3m99 h ALA 29 Ca 0.17 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 3m99 h ALA 29 Cb 0.40 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3m99 h ALA 29 CO 0.01 -0.55 -1.33 0.00 0.00 0.00 0.00 179.25 177.38 3m99 h ARG 30 N 0.19 0.00 0.16 0.00 3.08 -1.31 -2.94 114.38 113.55 3m99 h ARG 30 Ca 0.33 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 3m99 h ARG 30 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 3m99 h ARG 30 CO -0.06 0.55 -0.07 0.93 -1.07 0.00 0.00 179.97 180.24 3m99 h GLU 31 N 0.00 -0.20 -0.19 0.04 4.39 -1.06 -2.51 114.58 115.06 3m99 h GLU 31 Ca -0.16 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 3m99 h GLU 31 Cb 1.77 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.45 3m99 h GLU 31 CO 0.08 0.23 0.05 1.79 -1.16 0.00 0.00 179.01 180.00 3m99 h THR 32 N -0.76 1.09 -0.44 1.13 1.35 -1.28 -1.93 112.91 112.07 3m99 h THR 32 Ca -0.02 -0.31 -0.07 0.00 -0.55 0.00 0.00 66.41 65.46 3m99 h THR 32 Cb 0.52 0.90 -0.02 0.00 -1.73 0.00 0.00 68.15 67.83 3m99 h THR 32 CO 0.03 0.11 0.01 0.74 -0.25 0.00 0.00 175.52 176.17 3m99 h THR 33 N 0.26 1.26 0.02 6.82 2.02 -1.55 -1.84 112.91 119.90 3m99 h THR 33 Ca 0.07 -1.02 -0.23 0.00 0.77 0.00 0.00 66.41 66.00 3m99 h THR 33 Cb 0.09 1.05 0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3m99 h THR 33 CO -0.00 0.35 -0.90 1.56 0.37 0.00 0.00 175.52 176.90 3m99 h GLN 34 N 0.62 0.58 -0.41 6.66 4.20 -0.93 -2.45 115.11 123.39 3m99 h GLN 34 Ca 0.13 -0.65 -0.07 0.00 0.06 0.00 0.00 58.65 58.11 3m99 h GLN 34 Cb 0.48 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 3m99 h GLN 34 CO 0.02 1.25 -0.03 1.96 -0.67 0.00 0.00 178.83 181.36 3m99 h GLN 35 N 0.18 0.74 -0.87 1.46 1.08 -1.45 -0.89 115.11 115.36 3m99 h GLN 35 Ca -0.12 -0.25 0.17 0.00 -1.45 0.00 0.00 58.65 57.00 3m99 h GLN 35 Cb 1.58 -0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 28.89 3m99 h GLN 35 CO 0.18 0.85 0.57 0.37 -0.95 0.00 0.00 178.83 179.84 3m99 h GLN 36 N 0.57 0.51 0.03 1.46 4.15 -1.35 0.20 115.11 120.67 3m99 h GLN 36 Ca 0.11 -0.03 -0.16 0.00 0.77 0.00 0.00 58.65 59.34 3m99 h GLN 36 Cb 0.53 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 28.12 3m99 h GLN 36 CO 0.03 0.34 -0.64 1.25 -1.93 0.00 0.00 178.83 177.87 3m99 h LEU 37 N 0.53 0.51 -0.41 -2.39 5.85 -1.11 -2.97 115.31 115.31 3m99 h LEU 37 Ca 0.45 -0.80 0.04 0.00 0.84 0.00 0.00 57.88 58.41 3m99 h LEU 37 Cb 0.93 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 3m99 h LEU 37 CO -0.19 1.25 0.17 -0.07 -0.34 0.00 0.00 178.44 179.26 3m99 h LEU 38 N -0.16 0.20 -0.20 2.25 3.38 -0.09 0.26 115.31 120.95 3m99 h LEU 38 Ca -0.09 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3m99 h LEU 38 Cb 1.38 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 3m99 h LEU 38 CO 0.12 0.15 0.08 0.11 0.09 0.00 0.00 178.44 178.99 3m99 h LYS 39 N 0.34 0.30 -0.57 1.13 1.57 -0.77 0.50 116.57 119.07 3m99 h LYS 39 Ca 0.19 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 3m99 h LYS 39 Cb 0.15 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3m99 h LYS 39 CO -0.17 0.37 -0.07 1.15 -0.57 0.00 0.00 179.45 180.16 3m99 h THR 40 N 0.16 1.27 -0.05 -0.16 2.02 -1.33 -2.77 112.91 112.04 3m99 h THR 40 Ca 0.06 -1.22 -0.07 0.00 0.77 0.00 0.00 66.41 65.96 3m99 h THR 40 Cb 0.18 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3m99 h THR 40 CO -0.00 0.44 -0.23 -0.09 0.37 0.00 0.00 175.52 176.01 3m99 h ARG 41 N 0.93 0.24 -3.20 6.66 2.43 -0.36 -3.39 114.38 117.69 3m99 h ARG 41 Ca 0.15 -0.19 -0.63 0.00 -0.81 0.00 0.00 59.98 58.50 3m99 h ARG 41 Cb 0.63 0.04 -0.41 0.00 -0.42 0.00 0.00 29.97 29.81 3m99 h ARG 41 CO 0.04 0.84 -0.61 0.71 -1.51 0.00 0.00 179.97 179.44 3m99 s TYR 42 N -3.62 3.32 0.33 2.20 1.51 0.17 -4.94 117.35 116.32 3m99 s TYR 42 Ca -0.15 -3.23 0.02 0.00 -1.01 0.00 0.00 57.07 52.70 3m99 s TYR 42 Cb 0.03 -2.70 0.58 0.00 -0.11 0.00 0.00 41.96 39.75 3m99 s TYR 42 CO 0.75 -0.64 1.94 -1.00 -1.11 0.00 0.00 175.55 175.49 3m99 h PRO 43 N 5.91 0.77 -1.57 -1.71 0.13 -1.69 -2.56 132.00 131.27 3m99 h PRO 43 Ca 0.05 -0.09 -0.06 0.00 -0.87 0.00 0.00 66.00 65.03 3m99 h PRO 43 Cb 0.82 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 31.77 3m99 h PRO 43 CO 0.69 0.59 0.08 -0.25 -0.23 0.00 0.00 178.00 178.89 3m99 n ASP 44 N -4.37 4.67 -4.60 1.44 8.00 -1.26 -4.94 116.55 115.48 3m99 n ASP 44 Ca 0.05 -2.41 -0.44 0.00 0.71 0.00 0.00 54.79 52.70 3m99 n ASP 44 Cb 0.12 -0.90 -0.04 0.00 -0.02 0.00 0.00 41.12 40.28 3m99 n ASP 44 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3m99 n LEU 45 N 0.92 3.37 -4.51 0.64 7.94 -0.97 -4.94 117.00 119.46 3m99 n LEU 45 Ca 0.06 0.45 -0.43 0.00 -1.11 0.00 0.00 56.01 54.98 3m99 n LEU 45 Cb 0.55 -1.50 -0.07 0.00 0.53 0.00 0.00 43.42 42.93 3m99 n LEU 45 CO 0.07 -0.44 0.37 -0.13 -1.11 0.00 0.00 177.39 176.16 3m99 s ARG 46 N 5.73 3.26 0.87 1.96 0.52 -1.26 -5.06 118.95 124.96 3m99 s ARG 46 Ca 0.98 -0.43 -0.11 0.00 -0.52 0.00 0.00 55.73 55.65 3m99 s ARG 46 Cb -0.44 -3.97 0.11 0.00 0.52 0.00 0.00 34.95 31.18 3m99 s ARG 46 CO 0.40 -1.03 1.09 -1.54 0.02 0.00 0.00 175.30 174.24 3m99 s SER 47 N 2.06 3.71 -0.02 0.23 1.04 -1.26 -4.99 113.70 114.46 3m99 s SER 47 Ca 0.22 1.52 -0.30 0.00 0.48 0.00 0.00 55.95 57.87 3m99 s SER 47 Cb -0.15 -2.21 -0.03 0.00 0.10 0.00 0.00 66.02 63.74 3m99 s SER 47 CO 0.18 -2.50 0.97 -0.31 0.98 0.00 0.00 173.24 172.56 3m99 s TYR 48 N -2.95 3.63 0.21 5.02 1.51 -1.26 -4.94 117.35 118.57 3m99 s TYR 48 Ca 0.63 1.65 -0.30 0.00 -1.01 0.00 0.00 57.07 58.04 3m99 s TYR 48 Cb -0.18 -3.11 -0.10 0.00 -0.11 0.00 0.00 41.96 38.47 3m99 s TYR 48 CO 0.57 -0.05 1.42 -0.47 -1.11 0.00 0.00 175.55 175.91 3m99 s TYR 49 N 1.19 3.10 -0.73 2.71 5.04 0.84 -4.99 117.35 124.52 3m99 s TYR 49 Ca 0.50 1.00 0.04 0.00 -2.44 0.00 0.00 57.07 56.17 3m99 s TYR 49 Cb -0.20 -3.77 0.18 0.00 0.35 0.00 0.00 41.96 38.51 3m99 s TYR 49 CO 0.25 -2.57 0.54 0.12 -1.34 0.00 0.00 175.55 172.55 3m99 s PHE 50 N 0.30 3.62 0.07 4.97 5.36 -1.26 -4.46 117.98 126.58 3m99 s PHE 50 Ca 0.61 -3.27 -0.31 0.00 -0.96 0.00 0.00 56.93 53.00 3m99 s PHE 50 Cb -0.40 -2.83 -0.08 0.00 -0.34 0.00 0.00 43.02 39.37 3m99 s PHE 50 CO 0.39 -0.60 1.66 0.34 -1.46 0.00 0.00 175.22 175.55 3m99 s ASP 51 N -1.12 6.60 0.00 6.13 3.68 -1.26 -4.87 116.67 125.83 3m99 s ASP 51 Ca 0.25 2.49 0.00 0.00 2.13 0.00 0.00 52.55 57.42 3m99 s ASP 51 Cb -0.06 -2.56 0.00 0.00 -1.45 0.00 0.00 42.92 38.84 3m99 s ASP 51 CO -0.15 -0.89 0.41 -0.81 0.13 0.00 0.00 175.17 173.86 3m99 n PRO 52 N 5.64 0.53 0.00 4.34 -0.04 -1.26 -2.73 135.00 141.48 3m99 n PRO 52 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 3m99 n PRO 52 Cb 0.40 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 3m99 n PRO 52 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3m99 n ASN 53 N -0.16 0.12 -0.60 3.54 3.02 -1.26 -4.99 115.26 114.93 3m99 n ASN 53 Ca 0.00 -0.46 -0.08 0.00 -0.03 0.00 0.00 54.58 54.02 3m99 n ASN 53 Cb 0.06 0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 39.75 3m99 n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m99 n GLY 54 N 0.55 0.93 0.14 7.41 0.00 -1.10 -4.87 105.19 108.25 3m99 n GLY 54 Ca 0.00 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.81 3m99 n GLY 54 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3m99 h SER 55 N 0.00 0.00 -3.83 1.61 0.87 -1.94 -3.47 113.55 106.79 3m99 h SER 55 Ca -0.16 -0.01 -0.68 0.00 -1.23 0.00 0.00 61.79 59.71 3m99 h SER 55 Cb 0.70 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.44 3m99 h SER 55 CO 0.23 0.00 -0.86 -0.76 -0.53 0.00 0.00 176.83 174.92 3m99 s LEU 56 N -5.52 2.33 1.10 2.23 1.43 -1.26 -4.36 118.68 114.64 3m99 s LEU 56 Ca 0.02 -0.76 -0.16 0.00 -1.03 0.00 0.00 54.13 52.19 3m99 s LEU 56 Cb 0.09 -1.20 0.19 0.00 0.03 0.00 0.00 46.19 45.29 3m99 s LEU 56 CO 0.76 0.17 0.35 0.47 0.23 0.00 0.00 176.35 178.32 3m99 n ASP 57 N 0.83 -3.04 0.06 2.29 8.00 -0.42 -4.67 116.55 119.60 3m99 n ASP 57 Ca -0.17 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 54.92 3m99 n ASP 57 Cb 0.53 -0.85 0.31 0.00 -0.02 0.00 0.00 41.12 41.10 3m99 n ASP 57 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 3m99 h ILE 58 N -2.71 1.21 -0.92 0.53 3.07 -1.93 -2.19 117.51 114.57 3m99 h ILE 58 Ca -0.33 -0.94 -0.64 0.00 1.55 0.00 0.00 64.86 64.50 3m99 h ILE 58 Cb 0.98 1.20 -0.33 0.00 -0.27 0.00 0.00 36.82 38.39 3m99 h ILE 58 CO 0.22 0.30 0.34 -0.46 -1.05 0.00 0.00 178.15 177.50 3m99 n ASN 59 N -4.22 6.82 -3.82 2.16 0.23 -1.26 0.29 115.26 115.45 3m99 n ASN 59 Ca -0.00 -3.78 -0.27 0.00 -0.53 0.00 0.00 54.58 50.00 3m99 n ASN 59 Cb 0.31 -0.78 0.04 0.00 -2.08 0.00 0.00 39.78 37.27 3m99 n ASN 59 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3m99 n GLY 60 N -0.85 -0.46 3.80 4.83 0.00 -0.82 -4.96 105.19 106.72 3m99 n GLY 60 Ca 0.57 0.19 -0.25 0.00 0.00 0.00 0.00 46.02 46.53 3m99 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m99 s LEU 61 N -7.15 3.79 0.41 0.99 1.43 -1.26 -4.67 118.68 112.21 3m99 s LEU 61 Ca 0.51 -0.18 -0.24 0.00 -1.03 0.00 0.00 54.13 53.19 3m99 s LEU 61 Cb -0.25 -2.37 -0.09 0.00 0.03 0.00 0.00 46.19 43.51 3m99 s LEU 61 CO 0.81 0.04 1.09 -1.58 0.23 0.00 0.00 176.35 176.94 3m99 s GLN 62 N -3.31 4.09 0.42 1.70 2.00 -1.26 -1.31 119.66 121.99 3m99 s GLN 62 Ca 0.31 1.61 -0.26 0.00 -2.00 0.00 0.00 55.36 55.03 3m99 s GLN 62 Cb -0.09 -2.56 -0.10 0.00 0.80 0.00 0.00 33.01 31.06 3m99 s GLN 62 CO 0.24 -0.23 1.27 1.17 -0.50 0.00 0.00 175.29 177.24 3m99 n LYS 63 N -0.09 1.94 -0.11 1.67 4.81 -1.26 -4.93 118.16 120.19 3m99 n LYS 63 Ca 0.05 0.69 -0.11 0.00 -0.87 0.00 0.00 58.31 58.07 3m99 n LYS 63 Cb 0.49 -2.38 -0.03 0.00 0.02 0.00 0.00 35.03 33.13 3m99 n LYS 63 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3m99 h GLN 64 N 2.11 0.58 -5.15 1.64 4.20 -2.00 -3.48 115.11 113.02 3m99 h GLN 64 Ca -0.48 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 57.95 3m99 h GLN 64 Cb 1.29 -0.05 0.07 0.00 0.30 0.00 0.00 27.48 29.09 3m99 h GLN 64 CO 0.60 0.72 -0.31 0.94 -0.67 0.00 0.00 178.83 180.11 3m99 n GLN 65 N -4.53 -1.52 -3.06 1.46 7.27 -1.26 -4.90 117.38 110.84 3m99 n GLN 65 Ca -0.02 1.15 -0.42 0.00 0.07 0.00 0.00 57.00 57.78 3m99 n GLN 65 Cb 0.27 -5.35 -0.06 0.00 2.41 0.00 0.00 30.24 27.51 3m99 n GLN 65 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 3m99 s GLU 66 N -3.50 3.63 0.00 3.69 -1.05 -1.26 -4.61 118.70 115.60 3m99 s GLU 66 Ca 0.17 0.05 0.00 0.00 -0.15 0.00 0.00 54.97 55.04 3m99 s GLU 66 Cb -0.02 -3.83 0.00 0.00 -0.44 0.00 0.00 34.13 29.83 3m99 s GLU 66 CO 0.67 -0.82 0.00 0.45 0.95 0.00 0.00 175.26 176.51 3m99 n SER 67 N 6.20 0.60 -0.08 0.83 2.88 -1.26 -4.72 113.62 118.07 3m99 n SER 67 Ca -0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 3m99 n SER 67 Cb 0.48 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 3m99 n SER 67 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3m99 h SER 68 N 0.00 0.35 -1.22 -3.46 0.02 -1.98 -3.45 113.55 103.80 3m99 h SER 68 Ca 0.00 -0.05 -0.81 0.00 -0.84 0.00 0.00 61.79 60.09 3m99 h SER 68 Cb 0.44 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.91 3m99 h SER 68 CO 0.00 0.29 0.82 0.00 -1.14 0.00 0.00 176.83 176.80 3m99 n GLN 69 N -4.85 0.54 -4.31 3.45 6.02 -1.26 -4.88 117.38 112.09 3m99 n GLN 69 Ca -0.02 0.20 -0.24 0.00 -0.01 0.00 0.00 57.00 56.93 3m99 n GLN 69 Cb 0.05 -1.79 -0.08 0.00 1.02 0.00 0.00 30.24 29.44 3m99 n GLN 69 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 3m99 s TYR 70 N 3.41 2.58 -0.07 1.08 -0.85 -1.26 -0.93 117.35 121.32 3m99 s TYR 70 Ca 1.03 -0.35 -0.00 0.00 -0.52 0.00 0.00 57.07 57.23 3m99 s TYR 70 Cb -1.30 -1.35 0.02 0.00 0.38 0.00 0.00 41.96 39.72 3m99 s TYR 70 CO 0.74 0.54 -0.04 0.42 -1.52 0.00 0.00 175.55 175.69 3m99 s ILE 71 N -2.44 0.60 -0.38 -3.49 1.01 -0.07 -4.77 121.20 111.66 3m99 s ILE 71 Ca 0.33 -0.08 -0.28 0.00 0.00 0.00 0.00 60.65 60.62 3m99 s ILE 71 Cb -0.03 -0.66 -0.01 0.00 0.01 0.00 0.00 42.46 41.76 3m99 s ILE 71 CO 0.19 0.27 1.71 -2.28 0.00 0.00 0.00 174.94 174.83 3m99 s HIS 72 N 1.44 1.94 0.04 3.97 5.65 -1.26 -1.69 115.29 125.38 3m99 s HIS 72 Ca -0.02 0.65 -0.30 0.00 0.25 0.00 0.00 55.06 55.63 3m99 s HIS 72 Cb -0.13 -4.17 -0.05 0.00 -1.18 0.00 0.00 32.58 27.05 3m99 s HIS 72 CO -0.03 -2.65 1.13 0.00 -0.65 0.00 0.00 174.74 172.54 3m99 h GLU 74 N 6.78 0.64 -0.09 0.00 4.39 -1.93 -3.28 114.58 121.10 3m99 h GLU 74 Ca -0.41 -0.24 -0.08 0.00 0.34 0.00 0.00 59.36 58.97 3m99 h GLU 74 Cb 1.22 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3m99 h GLU 74 CO 0.79 0.81 -0.25 -0.91 -1.16 0.00 0.00 179.01 178.28 3m99 h ASN 75 N 0.42 0.37 -4.35 1.42 2.35 -1.97 -3.43 115.58 110.39 3m99 h ASN 75 Ca 0.09 -0.60 -0.51 0.00 -0.55 0.00 0.00 56.30 54.72 3m99 h ASN 75 Cb 0.57 -0.11 0.07 0.00 0.05 0.00 0.00 38.32 38.90 3m99 h ASN 75 CO 0.03 0.91 0.40 0.00 -1.65 0.00 0.00 177.43 177.12 3m99 n GLY 77 N -2.40 0.91 3.78 0.00 0.00 -1.26 -4.57 105.19 101.64 3m99 n GLY 77 Ca 0.07 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 3m99 n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m99 s ARG 78 N -1.46 2.20 0.11 1.61 3.00 -1.26 -4.97 118.95 118.18 3m99 s ARG 78 Ca 0.27 -2.05 -0.04 0.00 0.00 0.00 0.00 55.73 53.91 3m99 s ARG 78 Cb 0.14 -1.87 -0.05 0.00 0.00 0.00 0.00 34.95 33.17 3m99 s ARG 78 CO 0.18 -0.29 0.33 -0.51 0.00 0.00 0.00 175.30 175.01 3m99 s ASP 79 N -3.97 6.46 -0.05 0.23 -0.00 -1.26 -1.97 116.67 116.11 3m99 s ASP 79 Ca 0.30 0.52 0.01 0.00 -0.00 0.00 0.00 52.55 53.38 3m99 s ASP 79 Cb 0.02 -2.06 0.02 0.00 -0.00 0.00 0.00 42.92 40.90 3m99 s ASP 79 CO 0.17 0.10 -0.07 -0.69 -0.00 0.00 0.00 175.17 174.69 3m99 s VAL 80 N -1.58 0.70 -0.09 -1.27 1.01 -0.68 -4.88 120.40 113.61 3m99 s VAL 80 Ca 0.38 -0.22 -0.36 0.00 0.00 0.00 0.00 61.98 61.77 3m99 s VAL 80 Cb -0.12 -0.68 -0.14 0.00 0.00 0.00 0.00 36.38 35.43 3m99 s VAL 80 CO 0.24 0.26 1.71 -1.20 0.00 0.00 0.00 175.10 176.11 3m99 n SER 81 N 3.93 2.77 -0.32 3.32 7.64 -1.26 -0.89 113.62 128.82 3m99 n SER 81 Ca -0.25 1.05 0.19 0.00 1.01 0.00 0.00 58.87 60.87 3m99 n SER 81 Cb 0.51 -1.28 0.39 0.00 -1.01 0.00 0.00 64.21 62.82 3m99 n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3m99 h ALA 82 N 7.34 1.63 0.00 -0.43 0.00 -1.34 0.32 119.26 126.79 3m99 h ALA 82 Ca -0.47 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3m99 h ALA 82 Cb 1.29 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3m99 h ALA 82 CO 0.92 -0.53 0.00 0.27 0.00 0.00 0.00 179.25 179.90 3m99 n ASN 83 N -5.15 0.00 -2.27 0.00 6.94 -1.26 -2.82 115.26 110.69 3m99 n ASN 83 Ca 0.27 -0.81 0.01 0.00 -0.02 0.00 0.00 54.58 54.03 3m99 n ASN 83 Cb 0.85 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 38.31 3m99 n ASN 83 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3m99 n ARG 84 N -0.71 1.02 0.01 -3.83 1.74 0.11 -4.88 116.66 110.12 3m99 n ARG 84 Ca 0.05 -2.73 -0.14 0.00 -0.77 0.00 0.00 57.85 54.26 3m99 n ARG 84 Cb 0.02 -0.83 -0.14 0.00 -1.02 0.00 0.00 32.46 30.50 3m99 n ARG 84 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3m99 h LEU 85 N 1.83 0.20 -0.26 0.55 5.85 -1.54 -2.83 115.31 119.12 3m99 h LEU 85 Ca -0.21 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.09 3m99 h LEU 85 Cb 1.50 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 3m99 h LEU 85 CO 0.11 1.35 0.07 0.00 -0.34 0.00 0.00 178.44 179.64 3m99 h ALA 86 N 0.61 0.34 -0.37 1.25 0.00 -1.90 -1.42 119.26 117.78 3m99 h ALA 86 Ca -0.31 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 3m99 h ALA 86 Cb 2.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 3m99 h ALA 86 CO 0.10 -0.02 -0.17 0.00 0.00 0.00 0.00 179.25 179.16 3m99 h ALA 87 N 0.90 1.02 -0.36 0.00 0.00 -1.93 -2.92 119.26 115.97 3m99 h ALA 87 Ca 0.08 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3m99 h ALA 87 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3m99 h ALA 87 CO -0.00 0.59 -0.19 1.25 0.00 0.00 0.00 179.25 180.89 3m99 h HIS 88 N 0.61 0.75 -0.05 0.00 6.17 -1.26 -3.00 115.15 118.38 3m99 h HIS 88 Ca 0.10 -0.16 -0.16 0.00 0.71 0.00 0.00 60.37 60.86 3m99 h HIS 88 Cb 0.63 -0.19 -0.01 0.00 2.52 0.00 0.00 27.41 30.36 3m99 h HIS 88 CO 0.03 0.82 -0.68 -0.07 0.71 0.00 0.00 177.93 178.73 3m99 h LEU 89 N 0.60 0.26 0.00 0.26 3.38 -1.18 -1.17 115.31 117.46 3m99 h LEU 89 Ca 0.09 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3m99 h LEU 89 Cb 0.66 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3m99 h LEU 89 CO 0.05 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.44 3m99 n GLN 90 N -3.81 0.36 0.00 1.13 6.02 -1.11 -1.90 117.38 118.07 3m99 n GLN 90 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 3m99 n GLN 90 Cb 0.67 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.47 3m99 n GLN 90 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 3m99 n ARG 91 N -0.96 0.00 -0.13 -1.09 1.85 -1.13 -4.75 116.66 110.45 3m99 n ARG 91 Ca 0.08 -0.15 -0.20 0.00 -1.00 0.00 0.00 57.85 56.57 3m99 n ARG 91 Cb 0.04 -0.36 -0.11 0.00 -1.05 0.00 0.00 32.46 30.97 3m99 n ARG 91 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3m99 h LEU 93 N -0.24 0.65 -1.37 0.00 3.38 -1.61 -3.20 115.31 112.91 3m99 h LEU 93 Ca -0.59 -0.53 -0.06 0.00 0.09 0.00 0.00 57.88 56.79 3m99 h LEU 93 Cb 1.80 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 3m99 h LEU 93 CO -0.17 1.05 -0.18 0.77 0.09 0.00 0.00 178.44 180.01 3m99 h SER 94 N 0.26 0.19 0.00 -0.43 4.64 -1.81 -3.52 113.55 112.88 3m99 h SER 94 Ca 0.02 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3m99 h SER 94 Cb 0.92 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3m99 h SER 94 CO 0.08 0.38 0.00 -1.14 -0.87 0.00 0.00 176.83 175.28