#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t12 s ILE 2 N 0.00 4.39 0.10 0.00 -1.09 -1.26 -5.07 121.20 118.27 1t12 s ILE 2 Ca 0.00 1.49 0.07 0.00 -2.23 0.00 0.00 60.65 59.98 1t12 s ILE 2 Cb 0.00 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 1t12 s ILE 2 CO 0.00 -0.24 -0.09 0.42 -1.23 0.00 0.00 174.94 173.80 1t12 s THR 3 N -2.08 3.46 0.41 2.92 -4.23 -1.26 -4.96 115.64 109.89 1t12 s THR 3 Ca 0.60 -1.21 0.18 0.00 -1.18 0.00 0.00 61.69 60.07 1t12 s THR 3 Cb -0.10 -2.62 0.19 0.00 1.34 0.00 0.00 72.50 71.31 1t12 s THR 3 CO 0.15 0.13 1.97 0.00 -0.54 0.00 0.00 174.62 176.32 1t12 h GLY 5 N 0.80 0.70 0.96 0.00 0.00 -1.99 0.36 103.07 103.91 1t12 h GLY 5 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1t12 h GLY 5 CO 0.03 0.07 0.20 1.46 0.00 0.00 0.00 176.54 178.30 1t12 h GLN 6 N 0.45 0.54 -0.07 4.80 4.20 -1.96 -1.79 115.11 121.28 1t12 h GLN 6 Ca 0.23 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.88 1t12 h GLN 6 Cb 0.18 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1t12 h GLN 6 CO -0.19 0.46 0.02 0.28 -0.67 0.00 0.00 178.83 178.73 1t12 h VAL 7 N 0.49 0.99 -0.64 -0.54 2.07 -1.42 -2.45 116.25 114.74 1t12 h VAL 7 Ca 0.13 -0.02 0.13 0.00 0.82 0.00 0.00 66.70 67.76 1t12 h VAL 7 Cb 0.08 0.92 -0.09 0.00 -1.52 0.00 0.00 31.29 30.68 1t12 h VAL 7 CO -0.02 0.01 0.14 0.74 0.02 0.00 0.00 177.57 178.46 1t12 h THR 8 N 0.06 0.61 -0.75 2.57 2.02 0.13 -0.05 112.91 117.50 1t12 h THR 8 Ca 0.03 -0.09 0.10 0.00 0.77 0.00 0.00 66.41 67.22 1t12 h THR 8 Cb 0.01 0.32 -0.08 0.00 -1.74 0.00 0.00 68.15 66.66 1t12 h THR 8 CO -0.03 0.05 0.38 0.28 0.37 0.00 0.00 175.52 176.57 1t12 h SER 9 N 0.26 0.49 -0.48 4.18 0.02 -0.86 -0.13 113.55 117.04 1t12 h SER 9 Ca 0.34 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.40 1t12 h SER 9 Cb 0.53 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 1t12 h SER 9 CO -0.43 0.26 0.32 0.78 -1.14 0.00 0.00 176.83 176.62 1t12 h ASN 10 N 0.62 0.41 0.09 3.07 4.21 -0.82 -1.02 115.58 122.13 1t12 h ASN 10 Ca 0.38 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.88 1t12 h ASN 10 Cb 0.42 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 1t12 h ASN 10 CO -0.29 0.28 0.00 0.18 -1.29 0.00 0.00 177.43 176.31 1t12 n LEU 11 N -4.48 0.00 -0.34 1.61 7.99 -0.07 -4.40 117.00 117.31 1t12 n LEU 11 Ca 0.06 0.05 -0.03 0.00 -0.01 0.00 0.00 56.01 56.08 1t12 n LEU 11 Cb 0.19 -0.05 0.02 0.00 -0.11 0.00 0.00 43.42 43.47 1t12 n LEU 11 CO 0.35 -0.01 0.58 0.00 -1.51 0.00 0.00 177.39 176.80 1t12 h ALA 12 N 3.69 0.03 0.00 -1.18 0.00 -1.09 0.74 119.26 121.45 1t12 h ALA 12 Ca 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1t12 h ALA 12 Cb 0.05 1.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1t12 h ALA 12 CO 0.00 -0.68 -0.18 -1.35 0.00 0.00 0.00 179.25 177.04 1t12 h PRO 13 N -0.04 0.00 -0.14 0.00 0.11 -1.85 -3.10 132.00 126.98 1t12 h PRO 13 Ca 0.30 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.18 1t12 h PRO 13 Cb 0.57 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.69 1t12 h PRO 13 CO -0.91 0.18 -0.79 0.00 -0.21 0.00 0.00 178.00 176.27 1t12 h LEU 15 N 0.52 -0.06 -0.57 0.00 3.38 -0.67 0.85 115.31 118.77 1t12 h LEU 15 Ca -0.06 0.23 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1t12 h LEU 15 Cb 1.43 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 42.48 1t12 h LEU 15 CO 0.16 -0.27 0.21 0.00 0.09 0.00 0.00 178.44 178.63 1t12 h ALA 16 N 1.89 0.74 -0.86 1.53 0.00 -1.68 -1.49 119.26 119.39 1t12 h ALA 16 Ca 0.63 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 1t12 h ALA 16 Cb 1.39 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1t12 h ALA 16 CO -0.76 0.38 0.44 -0.92 0.00 0.00 0.00 179.25 178.40 1t12 h TYR 17 N 0.79 1.21 -0.59 0.00 3.20 0.70 -1.39 116.97 120.89 1t12 h TYR 17 Ca 0.19 -0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.08 1t12 h TYR 17 Cb 0.24 -0.38 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 1t12 h TYR 17 CO 0.01 0.86 0.39 -0.07 -1.64 0.00 0.00 178.16 177.71 1t12 h LEU 18 N 1.22 0.47 -1.91 2.82 3.38 0.54 0.30 115.31 122.14 1t12 h LEU 18 Ca 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 1t12 h LEU 18 Cb 0.07 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1t12 h LEU 18 CO -0.04 0.30 0.04 -1.14 0.09 0.00 0.00 178.44 177.69 1t12 n ARG 19 N -4.48 1.97 -2.44 1.13 0.63 -0.62 -1.56 116.66 111.30 1t12 n ARG 19 Ca 0.08 -0.90 0.00 0.00 -0.92 0.00 0.00 57.85 56.12 1t12 n ARG 19 Cb 0.26 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.53 1t12 n ARG 19 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1t12 n ASN 20 N 0.15 -0.96 -0.05 6.15 0.23 0.11 -4.77 115.26 116.11 1t12 n ASN 20 Ca 0.10 0.48 -0.09 0.00 -0.53 0.00 0.00 54.58 54.54 1t12 n ASN 20 Cb 0.59 -0.98 -0.03 0.00 -2.08 0.00 0.00 39.78 37.28 1t12 n ASN 20 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1t12 n THR 21 N -2.43 1.31 -4.05 5.53 -1.04 -0.59 -5.01 114.28 108.00 1t12 n THR 21 Ca 0.00 0.12 -0.27 0.00 -2.04 0.00 0.00 64.05 61.85 1t12 n THR 21 Cb 0.48 -2.01 -0.05 0.00 -1.82 0.00 0.00 70.33 66.93 1t12 n THR 21 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1t12 s GLY 22 N -4.77 1.81 1.05 3.41 0.00 -1.10 -4.96 107.32 102.75 1t12 s GLY 22 Ca -0.21 -1.13 -0.18 0.00 0.00 0.00 0.00 44.72 43.21 1t12 s GLY 22 CO 0.29 -1.13 1.04 -1.55 0.00 0.00 0.00 173.10 171.75 1t12 n PRO 23 N -0.15 -2.47 0.01 2.90 -0.04 -1.26 -2.61 135.00 131.38 1t12 n PRO 23 Ca -0.08 -1.64 -0.10 0.00 -0.04 0.00 0.00 63.50 61.63 1t12 n PRO 23 Cb 0.54 -1.41 -0.08 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.11 0.00 1.53 4.07 -1.96 -3.40 115.31 115.44 1t12 h LEU 24 Ca -0.37 -0.45 0.00 0.00 0.08 0.00 0.00 57.88 57.13 1t12 h LEU 24 Cb 1.11 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1t12 h LEU 24 CO 0.25 0.52 0.00 0.61 -1.08 0.00 0.00 178.44 178.74 1t12 n GLY 25 N 0.91 3.20 0.00 0.83 0.00 -1.26 -0.24 105.19 108.63 1t12 n GLY 25 Ca -0.07 0.23 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1t12 n GLY 25 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1t12 n ARG 26 N 14.00 0.60 -0.26 1.61 1.85 -1.26 -3.66 116.66 129.53 1t12 n ARG 26 Ca 0.00 0.02 0.05 0.00 -1.00 0.00 0.00 57.85 56.93 1t12 n ARG 26 Cb 0.00 -1.50 0.16 0.00 -1.05 0.00 0.00 32.46 30.07 1t12 n ARG 26 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1t12 h GLY 29 N 0.73 0.25 0.71 0.00 0.00 -1.36 0.22 103.07 103.61 1t12 h GLY 29 Ca 0.46 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.73 1t12 h GLY 29 CO -0.22 0.09 0.13 -1.33 0.00 0.00 0.00 176.54 175.21 1t12 h GLY 30 N 0.23 0.45 0.22 4.60 0.00 -0.91 -1.60 103.07 106.06 1t12 h GLY 30 Ca 0.06 -0.08 0.13 0.00 0.00 0.00 0.00 47.33 47.45 1t12 h GLY 30 CO -0.01 0.03 0.30 -2.08 0.00 0.00 0.00 176.54 174.79 1t12 h VAL 31 N 0.28 0.70 -0.41 4.60 2.07 -0.24 -0.94 116.25 122.31 1t12 h VAL 31 Ca 0.16 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1t12 h VAL 31 Cb 0.13 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 1t12 h VAL 31 CO -0.16 0.09 0.16 0.50 0.02 0.00 0.00 177.57 178.18 1t12 h LYS 32 N 0.47 0.32 0.00 1.57 3.64 0.39 0.91 116.57 123.88 1t12 h LYS 32 Ca 0.40 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 1t12 h LYS 32 Cb 0.57 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1t12 h LYS 32 CO -0.37 0.21 -0.05 0.00 -2.27 0.00 0.00 179.45 176.97 1t12 h ALA 33 N 1.25 1.75 -0.11 5.00 0.00 -0.76 -0.09 119.26 126.29 1t12 h ALA 33 Ca 0.19 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1t12 h ALA 33 Cb 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1t12 h ALA 33 CO -0.18 0.06 -0.14 -0.07 0.00 0.00 0.00 179.25 178.92 1t12 h LEU 34 N 0.00 0.17 -0.16 0.00 3.38 0.01 0.13 115.31 118.84 1t12 h LEU 34 Ca -0.00 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1t12 h LEU 34 Cb 0.09 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1t12 h LEU 34 CO 0.01 0.33 -0.12 0.58 0.09 0.00 0.00 178.44 179.33 1t12 h VAL 35 N 0.17 0.66 -0.44 1.22 2.07 -0.41 -1.46 116.25 118.05 1t12 h VAL 35 Ca 0.03 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.42 1t12 h VAL 35 Cb 0.36 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1t12 h VAL 35 CO 0.02 0.00 -0.26 0.78 0.02 0.00 0.00 177.57 178.13 1t12 h ASN 36 N -0.13 0.98 0.00 0.57 2.35 -1.48 -0.79 115.58 117.08 1t12 h ASN 36 Ca 0.10 -0.39 -0.66 0.00 -0.55 0.00 0.00 56.30 54.80 1t12 h ASN 36 Cb 0.27 -0.27 0.02 0.00 0.05 0.00 0.00 38.32 38.39 1t12 h ASN 36 CO -0.23 1.17 3.64 -1.20 -1.65 0.00 0.00 177.43 179.15 1t12 n SER 37 N -4.10 7.53 0.04 5.81 7.64 0.42 -3.44 113.62 127.52 1t12 n SER 37 Ca -0.00 -2.61 0.00 0.00 1.01 0.00 0.00 58.87 57.26 1t12 n SER 37 Cb 0.48 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 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 4.16 0.00 -1.22 -0.43 0.00 -0.93 -4.32 120.51 117.77 1t12 n ALA 38 Ca 0.71 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.81 1t12 n ALA 38 Cb 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.67 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 -2.61 3.38 -2.76 0.00 5.12 -0.34 -2.01 116.66 117.45 1t12 n ARG 39 Ca 0.00 -2.01 -0.01 0.00 -1.93 0.00 0.00 57.85 53.91 1t12 n ARG 39 Cb 0.00 -2.69 0.08 0.00 -1.16 0.00 0.00 32.46 28.69 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 3.53 0.81 0.00 0.55 -1.04 -1.26 -4.99 114.28 111.88 1t12 n THR 40 Ca 0.72 -2.22 0.00 0.00 -2.04 0.00 0.00 64.05 60.51 1t12 n THR 40 Cb 0.28 1.20 0.00 0.00 -1.82 0.00 0.00 70.33 69.99 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 -0.92 0.00 -0.07 12.58 -1.04 -1.24 -3.29 114.28 120.30 1t12 n THR 41 Ca -0.02 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.84 1t12 n THR 41 Cb 0.83 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.29 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 0.82 -0.65 -2.82 3.07 -1.94 -2.97 114.58 110.10 1t12 h GLU 42 Ca 0.00 -0.54 0.12 0.00 -0.50 0.00 0.00 59.36 58.45 1t12 h GLU 42 Cb 0.00 0.07 -0.12 0.00 -0.84 0.00 0.00 28.75 27.85 1t12 h GLU 42 CO 0.00 1.17 -0.28 -0.44 -1.40 0.00 0.00 179.01 178.06 1t12 h ASP 43 N 0.59 -0.97 -0.59 1.42 5.19 -1.80 0.38 116.42 120.64 1t12 h ASP 43 Ca 0.01 0.22 0.01 0.00 -0.62 0.00 0.00 57.03 56.65 1t12 h ASP 43 Cb 1.14 0.53 -0.03 0.00 0.18 0.00 0.00 39.33 41.15 1t12 h ASP 43 CO 0.12 -0.28 0.39 0.08 -3.12 0.00 0.00 179.24 176.43 1t12 h ARG 44 N -0.10 0.78 -0.72 3.56 0.11 -1.29 0.33 114.38 117.06 1t12 h ARG 44 Ca 0.28 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 60.29 1t12 h ARG 44 Cb 0.54 -0.18 -0.03 0.00 1.11 0.00 0.00 29.97 31.41 1t12 h ARG 44 CO -0.71 0.52 0.38 1.96 0.10 0.00 0.00 179.97 182.22 1t12 h GLN 45 N 0.81 1.01 -0.01 0.08 4.20 -0.21 0.10 115.11 121.09 1t12 h GLN 45 Ca 0.22 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1t12 h GLN 45 Cb -0.09 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.50 1t12 h GLN 45 CO -0.05 0.77 -0.04 0.82 -0.67 0.00 0.00 178.83 179.67 1t12 h ILE 46 N 0.99 1.47 0.23 2.54 1.08 0.35 -2.68 117.51 121.49 1t12 h ILE 46 Ca 0.25 -1.44 -0.00 0.00 -0.39 0.00 0.00 64.86 63.28 1t12 h ILE 46 Cb 0.07 2.41 -0.02 0.00 -3.07 0.00 0.00 36.82 36.20 1t12 h ILE 46 CO -0.04 0.38 -0.34 0.00 -0.69 0.00 0.00 178.15 177.46 1t12 h ALA 47 N 0.41 -0.95 -0.84 1.87 0.00 -0.25 0.25 119.26 119.75 1t12 h ALA 47 Ca -0.00 -0.10 0.20 0.00 0.00 0.00 0.00 54.91 55.01 1t12 h ALA 47 Cb 0.64 0.65 -0.12 0.00 0.00 0.00 0.00 17.79 18.95 1t12 h ALA 47 CO 0.01 -0.99 0.28 0.00 0.00 0.00 0.00 179.25 178.54 1t12 h THR 49 N 0.30 1.32 -0.97 0.00 1.35 -1.17 0.17 112.91 113.91 1t12 h THR 49 Ca 0.51 -1.02 0.16 0.00 -0.55 0.00 0.00 66.41 65.52 1t12 h THR 49 Cb 0.96 1.89 -0.10 0.00 -1.73 0.00 0.00 68.15 69.17 1t12 h THR 49 CO -0.56 0.28 0.58 0.00 -0.25 0.00 0.00 175.52 175.57 1t12 h LEU 51 N 0.80 0.69 -0.70 0.00 3.38 -0.43 0.34 115.31 119.39 1t12 h LEU 51 Ca 0.53 -0.84 0.15 0.00 0.09 0.00 0.00 57.88 57.81 1t12 h LEU 51 Cb 0.73 -0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.14 1t12 h LEU 51 CO -0.35 1.47 -0.06 0.50 0.09 0.00 0.00 178.44 180.09 1t12 h LYS 52 N 0.01 0.06 -0.08 1.13 3.64 -0.11 0.44 116.57 121.66 1t12 h LYS 52 Ca -0.15 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1t12 h LYS 52 Cb 1.71 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.51 1t12 h LYS 52 CO 0.19 0.04 0.03 1.03 -2.27 0.00 0.00 179.45 178.47 1t12 h SER 53 N 0.07 0.11 0.07 4.20 0.87 -0.66 -2.09 113.55 116.12 1t12 h SER 53 Ca 0.36 -0.17 0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1t12 h SER 53 Cb 0.60 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.49 1t12 h SER 53 CO -0.65 0.25 -0.27 0.00 -0.53 0.00 0.00 176.83 175.63 1t12 h ALA 54 N 0.87 -0.43 -0.53 6.23 0.00 0.37 0.56 119.26 126.34 1t12 h ALA 54 Ca 0.03 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1t12 h ALA 54 Cb 0.17 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 1t12 h ALA 54 CO -0.00 -0.80 -0.19 0.00 0.00 0.00 0.00 179.25 178.27 1t12 h ALA 55 N 0.30 0.24 -0.85 0.00 0.00 -0.11 0.36 119.26 119.20 1t12 h ALA 55 Ca 0.04 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1t12 h ALA 55 Cb 0.51 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1t12 h ALA 55 CO -0.19 -0.50 0.56 0.78 0.00 0.00 0.00 179.25 179.90 1t12 h GLY 56 N -0.06 1.21 2.00 0.00 0.00 -0.87 -2.21 103.07 103.13 1t12 h GLY 56 Ca 0.25 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1t12 h GLY 56 CO -0.57 0.45 -0.38 0.00 0.00 0.00 0.00 176.54 176.04 1t12 h ALA 57 N 1.45 1.36 -2.84 3.60 0.00 0.19 -3.45 119.26 119.58 1t12 h ALA 57 Ca 0.31 -0.34 -0.53 0.00 0.00 0.00 0.00 54.91 54.35 1t12 h ALA 57 Cb -0.12 -0.06 0.08 0.00 0.00 0.00 0.00 17.79 17.70 1t12 h ALA 57 CO -0.07 0.47 0.82 0.42 0.00 0.00 0.00 179.25 180.90 1t12 s ILE 58 N -4.16 2.19 -0.01 0.00 -1.09 0.05 -4.95 121.20 113.23 1t12 s ILE 58 Ca -0.03 0.17 -0.24 0.00 -2.23 0.00 0.00 60.65 58.32 1t12 s ILE 58 Cb 0.14 -3.11 -0.17 0.00 -1.58 0.00 0.00 42.46 37.74 1t12 s ILE 58 CO 0.72 0.03 1.17 0.77 -1.23 0.00 0.00 174.94 176.40 1t12 h SER 59 N 4.25 -0.19 -1.07 3.58 4.64 -1.88 -3.27 113.55 119.60 1t12 h SER 59 Ca -0.48 -0.31 -0.68 0.00 -0.47 0.00 0.00 61.79 59.85 1t12 h SER 59 Cb 1.23 0.05 -0.29 0.00 -0.31 0.00 0.00 62.40 63.08 1t12 h SER 59 CO 0.74 0.24 0.88 0.61 -0.87 0.00 0.00 176.83 178.44 1t12 n GLY 60 N 0.06 5.81 3.68 -0.77 0.00 -1.26 -5.02 105.19 107.69 1t12 n GLY 60 Ca -0.09 -2.30 -0.52 0.00 0.00 0.00 0.00 46.02 43.12 1t12 n GLY 60 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1t12 n ILE 61 N -0.86 0.37 -3.55 -0.61 0.13 -1.24 -4.34 119.36 109.27 1t12 n ILE 61 Ca 0.62 -0.07 -0.40 0.00 -1.10 0.00 0.00 62.75 61.80 1t12 n ILE 61 Cb 0.62 -1.51 -0.11 0.00 -0.84 0.00 0.00 39.64 37.80 1t12 n ILE 61 CO 0.00 0.00 0.00 0.21 2.80 0.00 0.00 176.55 179.56 1t12 s ASN 62 N 3.20 6.00 0.21 9.51 2.47 -0.60 -4.99 114.94 130.75 1t12 s ASN 62 Ca 0.92 -0.42 -0.09 0.00 0.42 0.00 0.00 52.86 53.69 1t12 s ASN 62 Cb -0.85 -2.12 0.28 0.00 -1.45 0.00 0.00 41.25 37.11 1t12 s ASN 62 CO 0.54 -0.23 1.75 0.25 -3.72 0.00 0.00 177.10 175.70 1t12 h LEU 63 N 8.47 0.27 -0.65 3.21 5.85 -1.92 -1.11 115.31 129.43 1t12 h LEU 63 Ca -0.31 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.53 1t12 h LEU 63 Cb 1.16 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 1t12 h LEU 63 CO 0.63 0.16 0.37 1.23 -0.34 0.00 0.00 178.44 180.49 1t12 h GLY 64 N 0.44 0.95 1.19 3.75 0.00 -1.98 0.90 103.07 108.32 1t12 h GLY 64 Ca 0.31 -0.26 -0.21 0.00 0.00 0.00 0.00 47.33 47.17 1t12 h GLY 64 CO -0.29 0.17 -0.70 0.50 0.00 0.00 0.00 176.54 176.22 1t12 h LYS 65 N 0.69 0.81 0.53 4.80 1.57 -1.83 0.41 116.57 123.55 1t12 h LYS 65 Ca 0.28 -0.61 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1t12 h LYS 65 Cb 0.15 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1t12 h LYS 65 CO -0.16 1.22 -0.37 0.00 -0.57 0.00 0.00 179.45 179.57 1t12 h ALA 66 N 0.62 -0.90 0.00 3.86 0.00 -0.63 0.45 119.26 122.66 1t12 h ALA 66 Ca -0.03 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1t12 h ALA 66 Cb 1.32 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1t12 h ALA 66 CO 0.15 -1.03 -0.39 0.00 0.00 0.00 0.00 179.25 177.98 1t12 h ALA 67 N -0.52 1.19 -0.00 0.00 0.00 -0.90 -1.69 119.26 117.34 1t12 h ALA 67 Ca -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1t12 h ALA 67 Cb 0.73 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1t12 h ALA 67 CO 0.03 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.17 1t12 n GLY 68 N -0.18 -0.98 0.07 0.00 0.00 0.14 -4.30 105.19 99.95 1t12 n GLY 68 Ca -0.01 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1t12 n GLY 68 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1t12 h LEU 69 N 0.05 0.09 -1.31 0.99 5.85 0.87 0.19 115.31 122.05 1t12 h LEU 69 Ca 0.00 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1t12 h LEU 69 Cb 0.01 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1t12 h LEU 69 CO 0.00 0.10 -0.21 -0.65 -0.34 0.00 0.00 178.44 177.34 1t12 h PRO 70 N 0.06 0.21 -0.46 5.25 0.11 -1.80 -2.95 132.00 132.42 1t12 h PRO 70 Ca 0.03 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.95 1t12 h PRO 70 Cb 0.03 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1t12 h PRO 70 CO -0.00 0.41 -0.20 0.77 -0.21 0.00 0.00 178.00 178.77 1t12 h SER 71 N 0.19 0.94 -0.84 -2.05 0.02 -1.61 -2.34 113.55 107.87 1t12 h SER 71 Ca 0.03 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 60.61 1t12 h SER 71 Cb 0.48 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 1t12 h SER 71 CO 0.03 1.11 0.41 0.74 -1.14 0.00 0.00 176.83 177.99 1t12 h THR 72 N 0.81 1.26 -3.39 -2.27 2.02 -0.47 -3.20 112.91 107.66 1t12 h THR 72 Ca 0.11 -0.71 -0.66 0.00 0.77 0.00 0.00 66.41 65.92 1t12 h THR 72 Cb 0.76 0.18 -0.39 0.00 -1.74 0.00 0.00 68.15 66.96 1t12 h THR 72 CO 0.06 0.31 -0.50 0.00 0.37 0.00 0.00 175.52 175.76 1t12 n GLY 74 N 3.01 -0.11 3.32 0.00 0.00 -0.89 -4.70 105.19 105.82 1t12 n GLY 74 Ca 0.09 0.81 -0.10 0.00 0.00 0.00 0.00 46.02 46.83 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 0.75 0.08 -0.78 1.61 -7.23 -1.24 -5.04 120.40 108.55 1t12 s VAL 75 Ca 0.94 -0.87 -0.07 0.00 -1.81 0.00 0.00 61.98 60.17 1t12 s VAL 75 Cb -1.29 -1.36 -0.08 0.00 0.56 0.00 0.00 36.38 34.20 1t12 s VAL 75 CO 0.62 -0.37 3.04 -3.20 -0.31 0.00 0.00 175.10 174.88 1t12 n ASN 76 N -0.20 6.97 -4.63 4.85 5.15 -1.26 -4.91 115.26 121.23 1t12 n ASN 76 Ca -0.14 -2.78 -0.40 0.00 -0.60 0.00 0.00 54.58 50.66 1t12 n ASN 76 Cb 0.63 -1.41 -0.07 0.00 -0.53 0.00 0.00 39.78 38.40 1t12 n ASN 76 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1t12 s ILE 77 N 0.23 5.05 -1.37 -1.44 1.01 -1.26 -4.86 121.20 118.56 1t12 s ILE 77 Ca 0.64 0.98 -0.09 0.00 0.00 0.00 0.00 60.65 62.18 1t12 s ILE 77 Cb 0.27 -3.87 0.10 0.00 0.01 0.00 0.00 42.46 38.97 1t12 s ILE 77 CO -0.08 0.09 2.26 -0.81 0.00 0.00 0.00 174.94 176.39 1t12 n PRO 78 N 5.44 3.85 -3.65 2.79 -0.04 -1.26 -4.84 135.00 137.28 1t12 n PRO 78 Ca -0.03 -3.18 -0.02 0.00 -0.04 0.00 0.00 63.50 60.23 1t12 n PRO 78 Cb 0.50 -2.86 -0.05 0.00 -0.04 0.00 0.00 33.50 31.04 1t12 n PRO 78 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1t12 s TYR 79 N 0.53 -0.02 -0.60 0.54 1.13 -1.26 -5.05 117.35 112.62 1t12 s TYR 79 Ca 0.50 0.04 0.02 0.00 -1.41 0.00 0.00 57.07 56.22 1t12 s TYR 79 Cb 0.14 0.50 0.39 0.00 -1.10 0.00 0.00 41.96 41.89 1t12 s TYR 79 CO -0.05 -0.02 1.47 0.36 -2.51 0.00 0.00 175.55 174.80 1t12 n LYS 80 N 0.87 3.19 -3.89 -3.49 2.85 -1.26 -4.91 118.16 111.53 1t12 n LYS 80 Ca -0.03 -4.14 -0.23 0.00 -1.05 0.00 0.00 58.31 52.86 1t12 n LYS 80 Cb 0.58 -2.26 0.01 0.00 -0.65 0.00 0.00 35.03 32.71 1t12 n LYS 80 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1t12 n ILE 81 N -0.49 -1.23 -2.92 0.58 5.41 -1.26 -4.26 119.36 115.19 1t12 n ILE 81 Ca 0.45 -0.29 -0.40 0.00 1.00 0.00 0.00 62.75 63.51 1t12 n ILE 81 Cb 0.49 -1.05 -0.05 0.00 -0.71 0.00 0.00 39.64 38.32 1t12 n ILE 81 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1t12 s SER 82 N -4.26 7.28 0.00 4.38 0.01 -1.26 -4.15 113.70 115.71 1t12 s SER 82 Ca 0.23 1.53 0.00 0.00 1.31 0.00 0.00 55.95 59.03 1t12 s SER 82 Cb -0.13 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1t12 s SER 82 CO 0.48 -0.00 0.23 -2.65 0.41 0.00 0.00 173.24 171.70 1t12 n PRO 83 N 2.80 0.25 -1.17 12.44 -0.02 -1.26 -2.84 135.00 145.19 1t12 n PRO 83 Ca -0.01 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.49 1t12 n PRO 83 Cb 0.50 -1.02 0.01 0.00 -0.02 0.00 0.00 33.50 32.97 1t12 n PRO 83 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1t12 n SER 84 N -0.33 0.63 -4.79 2.55 3.41 -1.26 -4.91 113.62 108.91 1t12 n SER 84 Ca 0.00 -1.99 -0.36 0.00 -0.26 0.00 0.00 58.87 56.27 1t12 n SER 84 Cb 0.01 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 63.65 1t12 n SER 84 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1t12 s THR 85 N 0.00 4.21 0.18 6.66 -1.32 -1.13 -5.05 115.64 119.19 1t12 s THR 85 Ca 0.22 1.66 -0.16 0.00 -1.21 0.00 0.00 61.69 62.20 1t12 s THR 85 Cb 0.26 -3.84 -0.08 0.00 -1.51 0.00 0.00 72.50 67.33 1t12 s THR 85 CO -0.11 -0.02 0.63 -0.62 -2.21 0.00 0.00 174.62 172.28 1t12 s ASP 86 N -1.79 6.91 -0.04 8.08 -1.08 -1.26 -4.92 116.67 122.56 1t12 s ASP 86 Ca 0.55 1.22 0.19 0.00 -0.52 0.00 0.00 52.55 53.99 1t12 s ASP 86 Cb -0.16 -2.34 0.36 0.00 -1.46 0.00 0.00 42.92 39.32 1t12 s ASP 86 CO 0.21 0.06 1.15 0.00 0.52 0.00 0.00 175.17 177.11 1t12 n SER 88 N 0.05 0.32 -2.48 0.00 3.41 -1.26 -4.52 113.62 109.15 1t12 n SER 88 Ca 0.08 -0.01 -0.25 0.00 -0.26 0.00 0.00 58.87 58.43 1t12 n SER 88 Cb 0.98 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 65.69 1t12 n SER 88 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1t12 n LYS 89 N -2.84 3.21 -3.53 4.33 0.00 -1.26 -5.06 118.16 113.02 1t12 n LYS 89 Ca -0.35 -4.37 -0.38 0.00 -0.00 0.00 0.00 58.31 53.21 1t12 n LYS 89 Cb 1.13 -2.15 -0.06 0.00 -0.00 0.00 0.00 35.03 33.95 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 -5.27 5.09 0.00 0.58 1.01 -1.26 -5.22 120.40 115.33 1t12 s VAL 90 Ca 0.46 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.21 1t12 s VAL 90 Cb 0.41 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1t12 s VAL 90 CO -0.16 0.56 0.03 0.00 0.00 0.00 0.00 175.10 175.54