#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t12 n ILE 2 N 0.00 0.00 -3.29 0.00 -6.64 -1.26 -4.94 119.36 103.23 1t12 n ILE 2 Ca 0.00 -0.49 -0.18 0.00 -1.77 0.00 0.00 62.75 60.31 1t12 n ILE 2 Cb 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.20 1t12 n ILE 2 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 1t12 s THR 3 N -1.96 3.57 0.29 7.28 -1.32 -1.26 -4.64 115.64 117.61 1t12 s THR 3 Ca 0.55 -1.02 -0.02 0.00 -1.21 0.00 0.00 61.69 59.99 1t12 s THR 3 Cb -0.47 -3.22 0.26 0.00 -1.51 0.00 0.00 72.50 67.57 1t12 s THR 3 CO 0.66 -0.09 1.96 0.00 -2.21 0.00 0.00 174.62 174.94 1t12 h GLY 5 N 1.14 0.77 0.97 0.00 0.00 -1.99 0.17 103.07 104.12 1t12 h GLY 5 Ca 0.32 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.65 1t12 h GLY 5 CO -0.07 -0.20 0.15 1.46 0.00 0.00 0.00 176.54 177.88 1t12 h GLN 6 N 0.17 0.77 0.58 4.80 4.20 -1.93 0.85 115.11 124.55 1t12 h GLN 6 Ca 0.35 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 1t12 h GLN 6 Cb 0.57 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1t12 h GLN 6 CO -0.52 0.72 -0.39 0.28 -0.67 0.00 0.00 178.83 178.26 1t12 h VAL 7 N 0.66 0.21 -0.37 -0.54 2.07 -0.92 0.51 116.25 117.87 1t12 h VAL 7 Ca 0.16 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.71 1t12 h VAL 7 Cb 0.28 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1t12 h VAL 7 CO -0.00 0.00 0.18 0.74 0.02 0.00 0.00 177.57 178.51 1t12 h THR 8 N -0.93 0.98 0.01 2.57 2.02 -0.74 -2.48 112.91 114.34 1t12 h THR 8 Ca -0.07 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 66.99 1t12 h THR 8 Cb 0.77 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1t12 h THR 8 CO 0.05 0.07 -0.06 0.28 0.37 0.00 0.00 175.52 176.23 1t12 h SER 9 N 0.37 -0.18 -0.66 4.18 0.02 -0.46 -0.93 113.55 115.89 1t12 h SER 9 Ca 0.16 0.03 0.12 0.00 -0.84 0.00 0.00 61.79 61.25 1t12 h SER 9 Cb 0.07 0.07 -0.09 0.00 0.14 0.00 0.00 62.40 62.60 1t12 h SER 9 CO -0.11 -0.09 0.22 0.78 -1.14 0.00 0.00 176.83 176.48 1t12 h ASN 10 N -0.11 0.16 -0.67 3.07 4.21 -0.74 -1.53 115.58 119.96 1t12 h ASN 10 Ca 0.02 0.10 -0.32 0.00 1.21 0.00 0.00 56.30 57.32 1t12 h ASN 10 Cb 0.14 0.11 -0.19 0.00 -1.12 0.00 0.00 38.32 37.26 1t12 h ASN 10 CO -0.06 0.07 0.40 0.00 -1.29 0.00 0.00 177.43 176.56 1t12 n LEU 11 N -5.05 5.50 -0.15 1.61 -0.00 -0.72 -4.43 117.00 113.76 1t12 n LEU 11 Ca 0.11 -2.90 -0.03 0.00 -0.00 0.00 0.00 56.01 53.19 1t12 n LEU 11 Cb 0.35 -0.73 0.06 0.00 -0.00 0.00 0.00 43.42 43.10 1t12 n LEU 11 CO 0.18 0.84 0.93 0.00 -0.00 0.00 0.00 177.39 179.35 1t12 h ALA 12 N 1.60 0.57 0.00 1.47 0.00 -0.12 -0.83 119.26 121.95 1t12 h ALA 12 Ca 0.39 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.33 1t12 h ALA 12 Cb 2.23 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 20.10 1t12 h ALA 12 CO 0.73 -0.27 -0.25 -1.35 0.00 0.00 0.00 179.25 178.12 1t12 h PRO 13 N 0.29 0.00 -0.49 0.00 0.11 -1.86 -1.61 132.00 128.44 1t12 h PRO 13 Ca 0.24 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.34 1t12 h PRO 13 Cb 0.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 1t12 h PRO 13 CO -0.28 0.25 0.29 0.00 -0.21 0.00 0.00 178.00 178.05 1t12 h LEU 15 N 0.67 -0.11 -0.94 0.00 3.38 -1.06 0.40 115.31 117.66 1t12 h LEU 15 Ca 0.18 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.27 1t12 h LEU 15 Cb -0.02 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1t12 h LEU 15 CO -0.03 -0.02 0.61 0.00 0.09 0.00 0.00 178.44 179.08 1t12 h ALA 16 N 1.34 1.24 -0.92 1.53 0.00 -1.51 -0.61 119.26 120.34 1t12 h ALA 16 Ca 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1t12 h ALA 16 Cb 0.28 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1t12 h ALA 16 CO -0.31 0.48 0.57 -0.92 0.00 0.00 0.00 179.25 179.07 1t12 h TYR 17 N 1.18 1.20 -0.56 0.00 3.20 -0.12 -1.97 116.97 119.90 1t12 h TYR 17 Ca 0.37 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.16 1t12 h TYR 17 Cb 0.00 -0.40 -0.02 0.00 1.54 0.00 0.00 36.73 37.85 1t12 h TYR 17 CO -0.01 0.79 0.01 -0.07 -1.64 0.00 0.00 178.16 177.24 1t12 h LEU 18 N 1.26 0.96 -2.19 2.82 3.38 0.70 -0.73 115.31 121.52 1t12 h LEU 18 Ca 0.33 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 58.06 1t12 h LEU 18 Cb -0.08 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 1t12 h LEU 18 CO -0.06 1.03 0.21 -0.09 0.09 0.00 0.00 178.44 179.62 1t12 h ARG 19 N 0.87 0.00 -2.43 1.13 9.65 -0.87 -1.80 114.38 120.93 1t12 h ARG 19 Ca 0.16 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 1t12 h ARG 19 Cb 0.52 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 1t12 h ARG 19 CO 0.03 0.00 0.00 -1.71 2.80 0.00 0.00 179.97 181.09 1t12 n ASN 20 N -3.87 -1.67 0.04 -3.80 2.85 -0.28 -4.76 115.26 103.77 1t12 n ASN 20 Ca 0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 1t12 n ASN 20 Cb 0.34 -0.42 0.00 0.00 1.24 0.00 0.00 39.78 40.95 1t12 n ASN 20 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1t12 n THR 21 N -1.22 0.00 -3.40 -0.44 -2.24 -1.01 -5.04 114.28 100.94 1t12 n THR 21 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1t12 n THR 21 Cb 0.42 -0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.53 1t12 n THR 21 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1t12 s GLY 22 N -2.96 2.52 0.00 3.38 0.00 -1.20 -4.94 107.32 104.11 1t12 s GLY 22 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1t12 s GLY 22 CO 0.00 0.21 0.00 -1.55 0.00 0.00 0.00 173.10 171.76 1t12 n PRO 23 N 1.37 -0.57 -0.00 2.90 -0.04 -1.26 -2.02 135.00 135.38 1t12 n PRO 23 Ca -0.10 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.25 1t12 n PRO 23 Cb 0.52 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.00 1t12 n PRO 23 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1t12 h LEU 24 N 0.00 0.68 0.00 1.53 -0.00 -1.96 -3.39 115.31 112.16 1t12 h LEU 24 Ca 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 1t12 h LEU 24 Cb 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 40.46 1t12 h LEU 24 CO 0.00 1.12 0.00 0.61 -0.00 0.00 0.00 178.44 180.17 1t12 n GLY 25 N 0.37 3.76 2.02 0.83 0.00 -1.26 -0.46 105.19 110.45 1t12 n GLY 25 Ca -0.04 0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1t12 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t12 n ARG 26 N 14.00 3.35 -0.04 1.61 3.00 -1.26 -4.49 116.66 132.83 1t12 n ARG 26 Ca 0.00 -2.94 -0.10 0.00 -0.01 0.00 0.00 57.85 54.80 1t12 n ARG 26 Cb 0.00 -2.18 -0.04 0.00 0.00 0.00 0.00 32.46 30.24 1t12 n ARG 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1t12 h GLY 29 N 0.65 -0.21 1.02 0.00 0.00 -1.87 0.35 103.07 103.01 1t12 h GLY 29 Ca 0.52 0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.98 1t12 h GLY 29 CO -0.39 -0.11 0.65 -1.33 0.00 0.00 0.00 176.54 175.36 1t12 h GLY 30 N -0.24 1.39 0.88 4.60 0.00 -1.08 0.40 103.07 109.03 1t12 h GLY 30 Ca 0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1t12 h GLY 30 CO -0.04 0.50 -0.42 -2.08 0.00 0.00 0.00 176.54 174.50 1t12 h VAL 31 N 1.33 0.00 -1.05 4.60 2.07 -0.05 -0.35 116.25 122.80 1t12 h VAL 31 Ca 0.36 -0.13 0.30 0.00 0.82 0.00 0.00 66.70 68.06 1t12 h VAL 31 Cb -0.14 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.50 1t12 h VAL 31 CO -0.08 0.00 0.64 0.50 0.02 0.00 0.00 177.57 178.64 1t12 h LYS 32 N -1.31 0.36 -0.07 1.57 3.64 -0.06 0.25 116.57 120.95 1t12 h LYS 32 Ca -0.12 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1t12 h LYS 32 Cb 0.91 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1t12 h LYS 32 CO 0.20 0.24 0.01 0.00 -2.27 0.00 0.00 179.45 177.63 1t12 h ALA 33 N 1.73 0.09 -0.16 5.00 0.00 -0.37 -2.79 119.26 122.76 1t12 h ALA 33 Ca 0.69 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 1t12 h ALA 33 Cb 1.64 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1t12 h ALA 33 CO -0.48 -0.25 0.08 1.37 0.00 0.00 0.00 179.25 179.97 1t12 h LEU 34 N -0.15 0.19 -0.50 0.00 8.10 0.73 -2.70 115.31 120.99 1t12 h LEU 34 Ca 0.02 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.00 1t12 h LEU 34 Cb 0.31 -0.05 -0.02 0.00 -0.44 0.00 0.00 40.66 40.46 1t12 h LEU 34 CO 0.00 0.17 0.32 0.58 -4.11 0.00 0.00 178.44 175.41 1t12 h VAL 35 N 0.23 1.14 -0.64 0.15 2.07 -0.89 0.15 116.25 118.46 1t12 h VAL 35 Ca 0.06 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 67.41 1t12 h VAL 35 Cb 0.03 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.14 1t12 h VAL 35 CO -0.01 0.13 0.25 0.78 0.02 0.00 0.00 177.57 178.75 1t12 h ASN 36 N 0.68 0.27 -1.07 0.57 2.35 -1.37 0.12 115.58 117.13 1t12 h ASN 36 Ca 0.18 0.08 -0.73 0.00 -0.55 0.00 0.00 56.30 55.28 1t12 h ASN 36 Cb -0.06 0.05 -0.11 0.00 0.05 0.00 0.00 38.32 38.24 1t12 h ASN 36 CO -0.04 0.16 2.44 -1.20 -1.65 0.00 0.00 177.43 177.14 1t12 n SER 37 N -4.97 8.05 0.17 5.81 7.64 -0.02 -4.06 113.62 126.24 1t12 n SER 37 Ca 0.09 -3.10 0.00 0.00 1.01 0.00 0.00 58.87 56.87 1t12 n SER 37 Cb 0.28 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 1t12 n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t12 n ALA 38 N 1.82 0.76 -0.77 -0.43 0.00 0.31 -4.70 120.51 117.50 1t12 n ALA 38 Ca 0.63 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.73 1t12 n ALA 38 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.65 1t12 n ALA 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1t12 n ARG 39 N -3.24 1.09 -2.82 0.00 5.12 -0.59 0.96 116.66 117.18 1t12 n ARG 39 Ca 0.00 -1.40 -0.01 0.00 -1.93 0.00 0.00 57.85 54.51 1t12 n ARG 39 Cb 0.00 -2.61 0.05 0.00 -1.16 0.00 0.00 32.46 28.74 1t12 n ARG 39 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1t12 n THR 40 N 5.73 1.22 0.00 0.55 -1.04 -1.26 -5.01 114.28 114.48 1t12 n THR 40 Ca 0.42 -2.90 0.00 0.00 -2.04 0.00 0.00 64.05 59.52 1t12 n THR 40 Cb 0.30 1.24 0.00 0.00 -1.82 0.00 0.00 70.33 70.05 1t12 n THR 40 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1t12 n THR 41 N -0.56 0.00 -0.06 12.58 -1.04 -1.25 -4.10 114.28 119.85 1t12 n THR 41 Ca 0.07 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.94 1t12 n THR 41 Cb 0.80 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 69.19 1t12 n THR 41 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1t12 h GLU 42 N 0.00 0.01 -0.36 -2.82 5.08 -1.96 -2.26 114.58 112.27 1t12 h GLU 42 Ca 0.00 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1t12 h GLU 42 Cb 0.00 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 1t12 h GLU 42 CO 0.00 0.92 -0.12 -0.44 -1.00 0.00 0.00 179.01 178.37 1t12 h ASP 43 N -0.88 -0.43 -0.33 1.42 3.32 -1.71 0.19 116.42 118.00 1t12 h ASP 43 Ca -0.00 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1t12 h ASP 43 Cb 0.93 0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 1t12 h ASP 43 CO 0.01 -0.16 0.18 0.08 -1.72 0.00 0.00 179.24 177.63 1t12 h ARG 44 N -0.05 0.50 -0.67 3.56 -0.00 0.50 0.12 114.38 118.34 1t12 h ARG 44 Ca 0.18 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.98 60.09 1t12 h ARG 44 Cb 0.32 -0.10 -0.03 0.00 -0.00 0.00 0.00 29.97 30.15 1t12 h ARG 44 CO -0.40 0.39 0.36 1.96 -0.00 0.00 0.00 179.97 182.28 1t12 h GLN 45 N 0.50 0.93 -0.11 0.08 4.20 -0.06 0.56 115.11 121.21 1t12 h GLN 45 Ca 0.13 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 1t12 h GLN 45 Cb 0.05 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1t12 h GLN 45 CO -0.02 0.70 -0.22 0.82 -0.67 0.00 0.00 178.83 179.44 1t12 h ILE 46 N 0.91 1.38 -0.32 2.54 1.08 -0.37 -3.01 117.51 119.72 1t12 h ILE 46 Ca 0.23 -1.49 0.07 0.00 -0.39 0.00 0.00 64.86 63.28 1t12 h ILE 46 Cb 0.04 2.08 -0.08 0.00 -3.07 0.00 0.00 36.82 35.80 1t12 h ILE 46 CO -0.04 0.43 -0.20 0.00 -0.69 0.00 0.00 178.15 177.66 1t12 h ALA 47 N 0.53 0.02 -0.69 1.87 0.00 -0.60 -0.02 119.26 120.37 1t12 h ALA 47 Ca 0.00 0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.18 1t12 h ALA 47 Cb 0.80 0.45 -0.12 0.00 0.00 0.00 0.00 17.79 18.93 1t12 h ALA 47 CO 0.05 -0.59 -0.00 0.00 0.00 0.00 0.00 179.25 178.71 1t12 h THR 49 N 0.11 1.34 -0.91 0.00 2.02 -1.18 0.12 112.91 114.41 1t12 h THR 49 Ca 0.37 -1.18 0.15 0.00 0.77 0.00 0.00 66.41 66.51 1t12 h THR 49 Cb 0.63 1.88 -0.09 0.00 -1.74 0.00 0.00 68.15 68.83 1t12 h THR 49 CO -0.61 0.34 0.51 0.00 0.37 0.00 0.00 175.52 176.14 1t12 h LEU 51 N 0.73 0.35 -0.83 0.00 3.38 0.40 0.60 115.31 119.94 1t12 h LEU 51 Ca 0.49 -0.39 0.15 0.00 0.09 0.00 0.00 57.88 58.22 1t12 h LEU 51 Cb 0.66 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 1t12 h LEU 51 CO -0.34 0.66 0.40 0.50 0.09 0.00 0.00 178.44 179.75 1t12 h LYS 52 N 0.04 0.55 -0.31 1.13 3.64 0.27 0.35 116.57 122.24 1t12 h LYS 52 Ca 0.04 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1t12 h LYS 52 Cb 0.51 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1t12 h LYS 52 CO 0.02 0.36 0.02 0.77 -2.27 0.00 0.00 179.45 178.36 1t12 h SER 53 N 0.57 0.52 -0.39 4.20 0.02 -0.11 0.29 113.55 118.65 1t12 h SER 53 Ca 0.46 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1t12 h SER 53 Cb 0.67 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1t12 h SER 53 CO -0.38 0.68 0.24 0.00 -1.14 0.00 0.00 176.83 176.23 1t12 h ALA 54 N 0.86 0.49 -0.28 3.77 0.00 0.19 -2.43 119.26 121.86 1t12 h ALA 54 Ca 0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1t12 h ALA 54 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1t12 h ALA 54 CO 0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 179.25 179.17 1t12 h ALA 55 N 1.11 0.38 0.00 0.00 0.00 -0.38 -3.24 119.26 117.13 1t12 h ALA 55 Ca 0.14 -0.28 -0.67 0.00 0.00 0.00 0.00 54.91 54.11 1t12 h ALA 55 Cb -0.01 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1t12 h ALA 55 CO -0.03 0.20 2.76 0.41 0.00 0.00 0.00 179.25 182.59 1t12 n GLY 56 N -0.16 3.50 0.78 0.00 0.00 0.10 -3.60 105.19 105.82 1t12 n GLY 56 Ca -0.03 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1t12 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t12 n ALA 57 N 6.54 0.00 -1.63 4.61 0.00 -1.22 -4.78 120.51 124.02 1t12 n ALA 57 Ca 0.52 0.00 -0.55 0.00 0.00 0.00 0.00 53.44 53.41 1t12 n ALA 57 Cb 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.76 1t12 n ALA 57 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1t12 n ILE 58 N -2.57 0.10 -0.06 0.00 2.08 -1.23 -4.88 119.36 112.80 1t12 n ILE 58 Ca 0.00 -0.02 -0.14 0.00 0.56 0.00 0.00 62.75 63.16 1t12 n ILE 58 Cb 0.00 -0.89 -0.06 0.00 -0.75 0.00 0.00 39.64 37.93 1t12 n ILE 58 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1t12 h SER 59 N 5.36 0.55 -2.05 4.38 0.87 -1.97 -3.29 113.55 117.40 1t12 h SER 59 Ca -0.47 -0.51 -0.76 0.00 -1.23 0.00 0.00 61.79 58.82 1t12 h SER 59 Cb 1.34 -0.16 -0.29 0.00 -0.44 0.00 0.00 62.40 62.85 1t12 h SER 59 CO 0.84 0.95 0.80 0.61 -0.53 0.00 0.00 176.83 179.50 1t12 n GLY 60 N 0.28 5.76 3.77 5.77 0.00 -1.26 -5.02 105.19 114.49 1t12 n GLY 60 Ca -0.06 -2.55 -0.38 0.00 0.00 0.00 0.00 46.02 43.03 1t12 n GLY 60 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1t12 s ILE 61 N -4.87 3.86 -0.33 -0.61 2.07 -1.24 -4.37 121.20 115.70 1t12 s ILE 61 Ca 0.48 1.62 -0.12 0.00 -1.41 0.00 0.00 60.65 61.21 1t12 s ILE 61 Cb 0.35 -3.93 -0.02 0.00 0.13 0.00 0.00 42.46 38.99 1t12 s ILE 61 CO -0.30 0.20 0.23 0.21 -1.91 0.00 0.00 174.94 173.37 1t12 s ASN 62 N -1.37 6.01 0.16 4.50 3.84 -0.68 -4.99 114.94 122.42 1t12 s ASN 62 Ca 0.50 -0.37 -0.15 0.00 0.21 0.00 0.00 52.86 53.05 1t12 s ASN 62 Cb -0.24 -2.12 0.08 0.00 -0.55 0.00 0.00 41.25 38.41 1t12 s ASN 62 CO 0.30 -0.20 1.76 0.25 -2.79 0.00 0.00 177.10 176.42 1t12 h LEU 63 N 8.46 0.20 -1.09 3.21 5.85 -1.96 -0.80 115.31 129.19 1t12 h LEU 63 Ca -0.32 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.46 1t12 h LEU 63 Cb 1.16 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 1t12 h LEU 63 CO 0.62 0.15 0.62 1.23 -0.34 0.00 0.00 178.44 180.72 1t12 h GLY 64 N 0.34 1.34 0.93 3.75 0.00 -1.96 -0.09 103.07 107.38 1t12 h GLY 64 Ca 0.18 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 1t12 h GLY 64 CO -0.16 0.42 -0.22 0.50 0.00 0.00 0.00 176.54 177.09 1t12 h LYS 65 N 1.20 0.65 -0.15 4.80 1.57 -1.72 1.07 116.57 123.99 1t12 h LYS 65 Ca 0.36 -0.32 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1t12 h LYS 65 Cb -0.03 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.21 1t12 h LYS 65 CO -0.10 0.92 -0.37 0.00 -0.57 0.00 0.00 179.45 179.32 1t12 h ALA 66 N 0.72 -0.47 0.00 3.86 0.00 -0.67 -1.24 119.26 121.45 1t12 h ALA 66 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1t12 h ALA 66 Cb 0.77 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1t12 h ALA 66 CO 0.06 -0.86 0.00 0.00 0.00 0.00 0.00 179.25 178.45 1t12 n ALA 67 N -2.90 2.15 1.31 0.00 0.00 -0.09 -2.89 120.51 118.10 1t12 n ALA 67 Ca -0.03 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.44 1t12 n ALA 67 Cb 0.35 -1.38 0.41 0.00 0.00 0.00 0.00 19.45 18.82 1t12 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t12 n GLY 68 N 0.82 -0.37 0.30 0.00 0.00 0.37 -4.43 105.19 101.87 1t12 n GLY 68 Ca 0.09 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.64 1t12 n GLY 68 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1t12 h LEU 69 N 1.66 0.88 -0.15 0.99 3.38 -1.29 0.21 115.31 120.99 1t12 h LEU 69 Ca 0.00 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1t12 h LEU 69 Cb 0.52 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1t12 h LEU 69 CO 0.00 0.63 -0.01 -0.65 0.09 0.00 0.00 178.44 178.51 1t12 h PRO 70 N 1.03 0.04 -0.44 1.13 0.11 -1.84 -0.35 132.00 131.67 1t12 h PRO 70 Ca 0.28 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.34 1t12 h PRO 70 Cb -0.12 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 1t12 h PRO 70 CO -0.06 0.03 0.09 0.77 -0.21 0.00 0.00 178.00 178.62 1t12 h SER 71 N 0.04 0.69 0.20 -2.05 0.02 -1.77 -1.65 113.55 109.03 1t12 h SER 71 Ca 0.07 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1t12 h SER 71 Cb 0.09 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1t12 h SER 71 CO -0.13 0.75 -0.10 0.74 -1.14 0.00 0.00 176.83 176.96 1t12 h THR 72 N 0.59 0.85 -2.72 -2.27 2.02 -0.37 -2.91 112.91 108.09 1t12 h THR 72 Ca 0.14 -0.24 -0.80 0.00 0.77 0.00 0.00 66.41 66.27 1t12 h THR 72 Cb 0.35 1.00 -0.27 0.00 -1.74 0.00 0.00 68.15 67.49 1t12 h THR 72 CO 0.00 0.06 0.94 0.00 0.37 0.00 0.00 175.52 176.89 1t12 n GLY 74 N 1.42 -0.16 3.04 0.00 0.00 -0.63 -4.72 105.19 104.14 1t12 n GLY 74 Ca 0.28 0.41 -0.08 0.00 0.00 0.00 0.00 46.02 46.63 1t12 n GLY 74 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1t12 s VAL 75 N 3.04 0.20 -1.33 1.61 -7.23 -1.15 -5.04 120.40 110.50 1t12 s VAL 75 Ca 0.47 -1.36 -0.08 0.00 -1.81 0.00 0.00 61.98 59.21 1t12 s VAL 75 Cb -0.46 -0.89 0.13 0.00 0.56 0.00 0.00 36.38 35.72 1t12 s VAL 75 CO 0.18 -0.73 2.17 -3.20 -0.31 0.00 0.00 175.10 173.21 1t12 n ASN 76 N 0.87 6.48 -4.75 4.85 5.15 -1.26 -4.92 115.26 121.67 1t12 n ASN 76 Ca -0.19 -3.08 -0.36 0.00 -0.60 0.00 0.00 54.58 50.36 1t12 n ASN 76 Cb 0.58 -1.44 -0.08 0.00 -0.53 0.00 0.00 39.78 38.31 1t12 n ASN 76 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1t12 s ILE 77 N -0.00 5.19 0.02 -1.44 -4.36 -1.26 -4.98 121.20 114.37 1t12 s ILE 77 Ca 0.48 0.10 -0.24 0.00 -0.26 0.00 0.00 60.65 60.73 1t12 s ILE 77 Cb 0.14 -3.31 -0.18 0.00 1.25 0.00 0.00 42.46 40.37 1t12 s ILE 77 CO -0.04 0.52 1.42 -0.65 0.24 0.00 0.00 174.94 176.43 1t12 h PRO 78 N 5.94 0.05 -7.17 0.37 0.11 -2.00 -3.44 132.00 125.86 1t12 h PRO 78 Ca -0.46 -0.02 -0.53 0.00 0.11 0.00 0.00 66.00 65.10 1t12 h PRO 78 Cb 1.19 -0.00 0.15 0.00 0.11 0.00 0.00 31.00 32.44 1t12 h PRO 78 CO 0.66 0.37 0.40 1.52 -0.21 0.00 0.00 178.00 180.74 1t12 s TYR 79 N -4.84 2.15 -0.32 0.65 -0.85 -1.26 -4.95 117.35 107.92 1t12 s TYR 79 Ca -0.15 1.59 0.09 0.00 -0.52 0.00 0.00 57.07 58.08 1t12 s TYR 79 Cb 0.03 -3.43 0.59 0.00 0.38 0.00 0.00 41.96 39.53 1t12 s TYR 79 CO 0.68 -2.46 1.63 1.63 -1.52 0.00 0.00 175.55 175.51 1t12 n LYS 80 N -2.61 2.37 -3.92 -3.49 4.76 -1.26 -4.95 118.16 109.06 1t12 n LYS 80 Ca 0.13 -3.08 -0.29 0.00 -2.87 0.00 0.00 58.31 52.20 1t12 n LYS 80 Cb 0.50 -1.97 0.02 0.00 -1.84 0.00 0.00 35.03 31.74 1t12 n LYS 80 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1t12 n ILE 81 N -0.90 -2.43 -4.26 -0.18 5.41 -1.26 -4.11 119.36 111.62 1t12 n ILE 81 Ca 0.40 -0.14 -0.35 0.00 1.00 0.00 0.00 62.75 63.65 1t12 n ILE 81 Cb 1.23 -2.84 -0.09 0.00 -0.71 0.00 0.00 39.64 37.24 1t12 n ILE 81 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1t12 s SER 82 N -3.59 5.46 -0.81 4.38 0.15 -1.26 -3.88 113.70 114.14 1t12 s SER 82 Ca 0.50 0.19 -0.22 0.00 0.70 0.00 0.00 55.95 57.12 1t12 s SER 82 Cb -0.25 -1.62 -0.15 0.00 -1.71 0.00 0.00 66.02 62.29 1t12 s SER 82 CO 0.85 0.37 1.93 -0.81 1.20 0.00 0.00 173.24 176.77 1t12 n PRO 83 N 2.24 1.53 0.04 5.44 -0.04 -1.26 -3.21 135.00 139.74 1t12 n PRO 83 Ca -0.19 -1.91 0.00 0.00 -0.04 0.00 0.00 63.50 61.36 1t12 n PRO 83 Cb 0.54 -2.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 1t12 n PRO 83 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1t12 n SER 84 N 8.08 -0.77 -3.95 3.54 7.64 -1.26 -4.97 113.62 121.94 1t12 n SER 84 Ca 0.49 0.26 -0.56 0.00 1.01 0.00 0.00 58.87 60.07 1t12 n SER 84 Cb 0.41 0.96 -0.09 0.00 -1.01 0.00 0.00 64.21 64.47 1t12 n SER 84 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1t12 n THR 85 N -2.60 0.00 -3.36 0.44 5.66 -1.20 -4.92 114.28 108.30 1t12 n THR 85 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 1t12 n THR 85 Cb 0.00 -0.43 -0.06 0.00 -1.55 0.00 0.00 70.33 68.29 1t12 n THR 85 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1t12 s ASP 86 N 3.40 6.78 -0.27 1.09 1.01 -1.26 -4.85 116.67 122.57 1t12 s ASP 86 Ca 0.94 1.05 0.21 0.00 0.71 0.00 0.00 52.55 55.47 1t12 s ASP 86 Cb -1.29 -2.28 0.49 0.00 1.01 0.00 0.00 42.92 40.85 1t12 s ASP 86 CO 0.66 0.05 1.18 0.00 0.21 0.00 0.00 175.17 177.27 1t12 h SER 88 N 2.32 0.00 -0.61 0.00 4.64 -1.94 -3.38 113.55 114.58 1t12 h SER 88 Ca -0.19 -0.04 -0.31 0.00 -0.47 0.00 0.00 61.79 60.78 1t12 h SER 88 Cb 1.29 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.13 1t12 h SER 88 CO 0.12 0.02 -0.72 2.29 -0.87 0.00 0.00 176.83 177.67 1t12 n LYS 89 N -2.34 1.08 -1.80 4.77 0.00 -1.26 -5.13 118.16 113.48 1t12 n LYS 89 Ca 0.05 -2.45 -0.41 0.00 -0.00 0.00 0.00 58.31 55.49 1t12 n LYS 89 Cb 0.45 -0.93 -0.01 0.00 -0.00 0.00 0.00 35.03 34.53 1t12 n LYS 89 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1t12 s VAL 90 N -0.95 2.11 -2.74 0.58 1.01 -1.26 -5.23 120.40 113.92 1t12 s VAL 90 Ca 0.27 0.10 0.26 0.00 0.00 0.00 0.00 61.98 62.61 1t12 s VAL 90 Cb 0.37 -3.06 0.38 0.00 0.00 0.00 0.00 36.38 34.06 1t12 s VAL 90 CO -0.05 0.02 1.51 0.00 0.00 0.00 0.00 175.10 176.58