#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 4.25 -0.28 0.00 -5.25 -1.26 -5.01 121.20 113.64 1t12 s ILE 2 Ca 0.00 1.81 -0.21 0.00 -0.99 0.00 0.00 60.65 61.26 1t12 s ILE 2 Cb 0.00 -4.12 0.11 0.00 2.95 0.00 0.00 42.46 41.40 1t12 s ILE 2 CO 0.00 0.34 0.88 -0.89 -1.79 0.00 0.00 174.94 173.48 1t12 s THR 3 N -1.37 0.00 0.43 8.37 2.01 -1.26 -5.03 115.64 118.79 1t12 s THR 3 Ca 0.43 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.54 1t12 s THR 3 Cb -0.22 -1.00 0.29 0.00 0.01 0.00 0.00 72.50 71.59 1t12 s THR 3 CO 0.26 0.00 2.03 0.00 -0.69 0.00 0.00 174.62 176.22 1t12 h GLY 5 N 0.47 1.03 1.02 0.00 0.00 -1.99 0.53 103.07 104.13 1t12 h GLY 5 Ca 0.20 0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 1t12 h GLY 5 CO -0.05 -0.44 0.49 1.46 0.00 0.00 0.00 176.54 178.00 1t12 h GLN 6 N 0.02 1.22 0.22 4.80 1.08 -1.43 -2.71 115.11 118.31 1t12 h GLN 6 Ca 0.53 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.58 1t12 h GLN 6 Cb 1.00 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 1t12 h GLN 6 CO -0.90 0.89 -0.10 0.28 -0.95 0.00 0.00 178.83 178.05 1t12 h VAL 7 N 1.22 0.68 -0.97 -0.54 2.07 -0.00 -0.11 116.25 118.60 1t12 h VAL 7 Ca 0.31 -0.99 0.13 0.00 0.82 0.00 0.00 66.70 66.97 1t12 h VAL 7 Cb 0.02 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 1t12 h VAL 7 CO -0.05 0.17 0.62 0.00 0.02 0.00 0.00 177.57 178.33 1t12 h THR 8 N -0.90 0.89 -0.04 2.57 1.03 -0.85 0.20 112.91 115.82 1t12 h THR 8 Ca -0.03 -0.31 -0.01 0.00 -0.01 0.00 0.00 66.41 66.04 1t12 h THR 8 Cb 0.50 -0.10 -0.00 0.00 -1.07 0.00 0.00 68.15 67.48 1t12 h THR 8 CO 0.05 0.17 -0.03 0.77 -0.01 0.00 0.00 175.52 176.47 1t12 h SER 9 N 0.92 0.09 -0.82 0.00 4.64 -1.41 -2.93 113.55 114.04 1t12 h SER 9 Ca 0.49 -0.46 0.08 0.00 -0.47 0.00 0.00 61.79 61.42 1t12 h SER 9 Cb 0.55 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.56 1t12 h SER 9 CO -0.25 0.54 0.53 0.78 -0.87 0.00 0.00 176.83 177.56 1t12 h ASN 10 N -0.35 0.74 0.00 4.97 2.35 -0.39 -0.19 115.58 122.71 1t12 h ASN 10 Ca 0.01 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1t12 h ASN 10 Cb 0.51 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1t12 h ASN 10 CO 0.01 0.46 0.00 0.18 -1.65 0.00 0.00 177.43 176.43 1t12 n LEU 11 N -4.50 0.00 -0.34 1.61 4.77 0.66 -4.30 117.00 114.91 1t12 n LEU 11 Ca 0.13 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1t12 n LEU 11 Cb 0.26 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.41 1t12 n LEU 11 CO 0.33 0.00 0.62 0.00 -1.33 0.00 0.00 177.39 177.00 1t12 h ALA 12 N 2.98 0.25 0.00 -1.18 0.00 -0.89 0.48 119.26 120.90 1t12 h ALA 12 Ca 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 1t12 h ALA 12 Cb 0.00 0.90 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1t12 h ALA 12 CO 0.00 -0.57 -0.25 -1.35 0.00 0.00 0.00 179.25 177.08 1t12 h PRO 13 N -0.03 0.00 0.25 0.00 0.11 -1.85 -3.30 132.00 127.18 1t12 h PRO 13 Ca 0.36 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.45 1t12 h PRO 13 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1t12 h PRO 13 CO -0.93 0.25 -0.12 0.00 -0.21 0.00 0.00 178.00 176.99 1t12 h LEU 15 N -0.91 0.46 -0.29 0.00 8.10 -0.81 0.71 115.31 122.56 1t12 h LEU 15 Ca -0.03 0.16 -0.04 0.00 0.11 0.00 0.00 57.88 58.07 1t12 h LEU 15 Cb 0.50 0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.82 1t12 h LEU 15 CO 0.06 -0.10 0.01 0.00 -4.11 0.00 0.00 178.44 174.30 1t12 h ALA 16 N 1.76 0.39 -0.42 0.17 0.00 -1.62 -1.88 119.26 117.66 1t12 h ALA 16 Ca 0.72 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.43 1t12 h ALA 16 Cb 1.80 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 1t12 h ALA 16 CO -0.51 0.12 0.24 -0.92 0.00 0.00 0.00 179.25 178.18 1t12 h TYR 17 N 0.30 0.45 0.00 0.00 3.20 0.69 -2.00 116.97 119.62 1t12 h TYR 17 Ca 0.08 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1t12 h TYR 17 Cb 0.41 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 1t12 h TYR 17 CO 0.03 0.26 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.71 1t12 h LEU 18 N 0.49 0.00 0.00 2.82 3.38 0.03 0.03 115.31 122.05 1t12 h LEU 18 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1t12 h LEU 18 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1t12 h LEU 18 CO -0.09 0.03 0.00 0.54 0.09 0.00 0.00 178.44 179.02 1t12 n ARG 19 N -4.49 0.62 -3.00 1.13 1.74 -0.73 -1.28 116.66 110.65 1t12 n ARG 19 Ca -0.03 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.83 1t12 n ARG 19 Cb 0.12 -1.30 0.02 0.00 -1.02 0.00 0.00 32.46 30.28 1t12 n ARG 19 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1t12 n ASN 20 N -0.80 -5.48 0.06 0.55 3.02 -0.00 -4.87 115.26 107.74 1t12 n ASN 20 Ca 0.09 -0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 1t12 n ASN 20 Cb 0.04 -4.46 0.00 0.00 -0.61 0.00 0.00 39.78 34.75 1t12 n ASN 20 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1t12 n THR 21 N -4.28 0.51 -2.61 3.41 -1.04 -1.13 -5.08 114.28 104.05 1t12 n THR 21 Ca -0.11 0.17 -0.23 0.00 -2.04 0.00 0.00 64.05 61.84 1t12 n THR 21 Cb 0.61 -0.98 0.04 0.00 -1.82 0.00 0.00 70.33 68.17 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 -4.05 1.71 0.71 3.41 0.00 -0.79 -4.95 107.32 103.36 1t12 s GLY 22 Ca 0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 44.72 43.57 1t12 s GLY 22 CO 0.00 -0.83 0.98 -1.55 0.00 0.00 0.00 173.10 171.70 1t12 n PRO 23 N -2.41 -0.36 -0.12 2.90 -0.04 -1.26 -3.41 135.00 130.29 1t12 n PRO 23 Ca 0.06 -2.25 -0.05 0.00 -0.04 0.00 0.00 63.50 61.22 1t12 n PRO 23 Cb 0.59 -0.77 0.01 0.00 -0.04 0.00 0.00 33.50 33.29 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 -0.67 0.00 1.53 -0.00 -1.97 -3.38 115.31 110.82 1t12 h LEU 24 Ca -0.32 0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1t12 h LEU 24 Cb 1.08 0.36 0.00 0.00 -0.00 0.00 0.00 40.66 42.10 1t12 h LEU 24 CO 0.30 -0.23 0.00 0.61 -0.00 0.00 0.00 178.44 179.13 1t12 n GLY 25 N -1.38 3.44 1.82 0.83 0.00 -1.26 -0.76 105.19 107.88 1t12 n GLY 25 Ca 0.02 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 2.61 -0.05 1.61 1.74 -1.26 -4.54 116.66 130.77 1t12 n ARG 26 Ca 0.00 -2.33 -0.09 0.00 -0.77 0.00 0.00 57.85 54.66 1t12 n ARG 26 Cb 0.00 -1.96 -0.02 0.00 -1.02 0.00 0.00 32.46 29.46 1t12 n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1t12 h GLY 29 N 1.24 0.51 0.77 0.00 0.00 -1.78 0.17 103.07 103.97 1t12 h GLY 29 Ca 0.34 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.44 1t12 h GLY 29 CO -0.07 0.24 -0.05 -1.33 0.00 0.00 0.00 176.54 175.32 1t12 h GLY 30 N 0.39 0.00 0.63 4.60 0.00 0.19 0.06 103.07 108.95 1t12 h GLY 30 Ca 0.11 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.54 1t12 h GLY 30 CO -0.01 -0.07 -0.10 -2.08 0.00 0.00 0.00 176.54 174.28 1t12 h VAL 31 N -0.07 0.72 -0.70 4.60 2.07 -0.37 -1.42 116.25 121.08 1t12 h VAL 31 Ca 0.05 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.71 1t12 h VAL 31 Cb 0.13 0.72 -0.11 0.00 -1.52 0.00 0.00 31.29 30.51 1t12 h VAL 31 CO -0.11 0.00 0.15 0.50 0.02 0.00 0.00 177.57 178.13 1t12 h LYS 32 N -0.14 0.25 -0.90 1.57 1.63 -0.18 0.38 116.57 119.17 1t12 h LYS 32 Ca 0.07 -0.01 0.13 0.00 -0.85 0.00 0.00 60.65 59.98 1t12 h LYS 32 Cb 0.23 -0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.74 1t12 h LYS 32 CO -0.17 0.16 0.58 0.00 -3.45 0.00 0.00 179.45 176.57 1t12 h ALA 33 N 1.58 1.75 -0.20 5.00 0.00 0.07 -1.49 119.26 125.97 1t12 h ALA 33 Ca 0.39 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.12 1t12 h ALA 33 Cb 0.64 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1t12 h ALA 33 CO -0.49 0.02 -0.63 -0.07 0.00 0.00 0.00 179.25 178.08 1t12 h LEU 34 N 0.76 0.81 -0.60 0.00 3.38 0.29 -3.03 115.31 116.92 1t12 h LEU 34 Ca 0.44 -0.47 0.12 0.00 0.09 0.00 0.00 57.88 58.07 1t12 h LEU 34 Cb 0.62 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.04 1t12 h LEU 34 CO -0.21 1.23 0.02 0.58 0.09 0.00 0.00 178.44 180.16 1t12 h VAL 35 N 0.52 0.53 -0.92 1.22 2.07 -0.09 0.68 116.25 120.26 1t12 h VAL 35 Ca -0.01 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1t12 h VAL 35 Cb 1.22 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 1t12 h VAL 35 CO 0.13 0.03 0.59 0.78 0.02 0.00 0.00 177.57 179.11 1t12 h ASN 36 N 0.14 0.96 -0.95 0.57 2.35 -1.39 0.19 115.58 117.46 1t12 h ASN 36 Ca 0.31 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.44 1t12 h ASN 36 Cb 0.50 -0.20 -0.28 0.00 0.05 0.00 0.00 38.32 38.39 1t12 h ASN 36 CO -0.49 0.64 0.81 -1.20 -1.65 0.00 0.00 177.43 175.53 1t12 n SER 37 N -4.54 7.19 -2.69 5.81 7.64 0.68 -4.39 113.62 123.33 1t12 n SER 37 Ca 0.13 -3.69 -0.07 0.00 1.01 0.00 0.00 58.87 56.24 1t12 n SER 37 Cb 0.14 -0.97 0.08 0.00 -1.01 0.00 0.00 64.21 62.45 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 -0.82 2.35 0.00 -0.43 0.00 0.20 -4.32 120.51 117.50 1t12 n ALA 38 Ca 0.59 -2.13 0.00 0.00 0.00 0.00 0.00 53.44 51.90 1t12 n ALA 38 Cb 0.75 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.44 0.00 -0.81 0.00 5.12 -1.22 -4.26 116.66 115.05 1t12 n ARG 39 Ca 0.02 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.56 1t12 n ARG 39 Cb 0.84 -0.16 -0.11 0.00 -1.16 0.00 0.00 32.46 31.86 1t12 n ARG 39 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1t12 n THR 40 N -2.15 0.16 0.00 0.55 -2.24 -1.26 -4.53 114.28 104.81 1t12 n THR 40 Ca 0.00 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1t12 n THR 40 Cb 0.00 -2.02 0.00 0.00 -2.10 0.00 0.00 70.33 66.21 1t12 n THR 40 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1t12 n THR 41 N 7.42 0.00 -0.08 4.28 -1.04 -1.26 -1.64 114.28 121.96 1t12 n THR 41 Ca 0.46 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.36 1t12 n THR 41 Cb 0.43 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.90 1t12 n THR 41 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1t12 h GLU 42 N 0.00 0.42 -0.38 -2.82 4.57 -1.99 -0.23 114.58 114.15 1t12 h GLU 42 Ca 0.00 -0.13 0.08 0.00 -1.18 0.00 0.00 59.36 58.13 1t12 h GLU 42 Cb 0.00 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.47 1t12 h GLU 42 CO 0.00 0.58 -0.13 -0.44 -1.18 0.00 0.00 179.01 177.84 1t12 h ASP 43 N 0.20 -0.46 -0.43 1.04 3.32 -1.61 0.88 116.42 119.35 1t12 h ASP 43 Ca 0.07 0.13 0.09 0.00 0.02 0.00 0.00 57.03 57.34 1t12 h ASP 43 Cb 0.39 0.28 -0.09 0.00 0.22 0.00 0.00 39.33 40.13 1t12 h ASP 43 CO 0.01 -0.17 -0.16 -0.09 -1.72 0.00 0.00 179.24 177.11 1t12 h ARG 44 N -0.05 -0.07 -0.46 3.56 1.12 -1.64 -1.13 114.38 115.71 1t12 h ARG 44 Ca 0.19 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.99 1t12 h ARG 44 Cb 0.33 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.29 1t12 h ARG 44 CO -0.42 -0.05 0.01 1.96 -3.11 0.00 0.00 179.97 178.37 1t12 h GLN 45 N -0.07 0.80 -0.14 0.20 4.20 0.57 -0.71 115.11 119.95 1t12 h GLN 45 Ca 0.21 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1t12 h GLN 45 Cb 0.39 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1t12 h GLN 45 CO -0.48 0.85 0.00 0.82 -0.67 0.00 0.00 178.83 179.35 1t12 h ILE 46 N 0.65 1.25 0.06 2.54 1.08 -0.67 0.34 117.51 122.76 1t12 h ILE 46 Ca 0.13 -0.82 0.02 0.00 -0.39 0.00 0.00 64.86 63.80 1t12 h ILE 46 Cb 0.49 1.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.73 1t12 h ILE 46 CO 0.02 0.24 -0.15 0.00 -0.69 0.00 0.00 178.15 177.57 1t12 h ALA 47 N 0.76 -0.22 -0.93 1.87 0.00 -1.13 0.28 119.26 119.89 1t12 h ALA 47 Ca 0.04 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.10 1t12 h ALA 47 Cb 0.36 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.30 1t12 h ALA 47 CO 0.01 -0.66 0.53 0.00 0.00 0.00 0.00 179.25 179.13 1t12 h THR 49 N 0.71 1.24 -0.61 0.00 2.02 0.11 -0.16 112.91 116.21 1t12 h THR 49 Ca 0.52 -0.81 -0.10 0.00 0.77 0.00 0.00 66.41 66.79 1t12 h THR 49 Cb 0.75 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 1t12 h THR 49 CO -0.37 0.27 0.00 0.00 0.37 0.00 0.00 175.52 175.79 1t12 h LEU 51 N 0.98 0.48 -0.74 0.00 3.38 -0.08 0.46 115.31 119.79 1t12 h LEU 51 Ca 0.17 -0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.21 1t12 h LEU 51 Cb 0.56 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 1t12 h LEU 51 CO 0.03 0.39 0.34 0.50 0.09 0.00 0.00 178.44 179.79 1t12 h LYS 52 N 0.52 0.52 -0.30 1.13 3.64 -0.74 -0.11 116.57 121.24 1t12 h LYS 52 Ca 0.14 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1t12 h LYS 52 Cb 0.00 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1t12 h LYS 52 CO -0.03 0.34 -0.02 0.77 -2.27 0.00 0.00 179.45 178.25 1t12 h SER 53 N 0.53 0.53 -0.26 4.20 0.02 0.30 -1.99 113.55 116.88 1t12 h SER 53 Ca 0.39 -0.32 0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1t12 h SER 53 Cb 0.51 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 1t12 h SER 53 CO -0.34 0.73 -0.07 0.00 -1.14 0.00 0.00 176.83 176.01 1t12 h ALA 54 N 0.82 0.17 -0.38 3.77 0.00 0.60 0.11 119.26 124.37 1t12 h ALA 54 Ca 0.08 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1t12 h ALA 54 Cb 0.46 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1t12 h ALA 54 CO 0.02 -0.47 0.11 0.00 0.00 0.00 0.00 179.25 178.91 1t12 h ALA 55 N 1.26 0.43 -0.73 0.00 0.00 -0.89 -0.35 119.26 118.98 1t12 h ALA 55 Ca 0.13 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1t12 h ALA 55 Cb 0.20 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1t12 h ALA 55 CO -0.27 -0.28 0.48 0.78 0.00 0.00 0.00 179.25 179.96 1t12 h GLY 56 N 0.26 1.00 1.18 0.00 0.00 -0.58 -2.68 103.07 102.25 1t12 h GLY 56 Ca 0.17 -0.34 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 1t12 h GLY 56 CO -0.19 0.30 -0.19 0.00 0.00 0.00 0.00 176.54 176.45 1t12 h ALA 57 N 1.58 0.77 -2.57 3.60 0.00 0.84 -3.44 119.26 120.03 1t12 h ALA 57 Ca 0.29 -0.38 -0.53 0.00 0.00 0.00 0.00 54.91 54.30 1t12 h ALA 57 Cb 0.07 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 17.71 1t12 h ALA 57 CO -0.08 0.66 0.61 0.42 0.00 0.00 0.00 179.25 180.86 1t12 s ILE 58 N -4.70 3.63 -0.06 0.00 1.01 -0.56 -4.96 121.20 115.55 1t12 s ILE 58 Ca -0.11 1.23 -0.20 0.00 0.00 0.00 0.00 60.65 61.58 1t12 s ILE 58 Cb 0.13 -3.79 -0.15 0.00 0.01 0.00 0.00 42.46 38.65 1t12 s ILE 58 CO 0.86 0.13 0.81 0.28 0.00 0.00 0.00 174.94 177.02 1t12 h SER 59 N 6.23 -0.17 -0.53 3.58 0.02 -1.86 -3.30 113.55 117.52 1t12 h SER 59 Ca -0.43 -0.37 -0.34 0.00 -0.84 0.00 0.00 61.79 59.82 1t12 h SER 59 Cb 1.21 0.04 -0.14 0.00 0.14 0.00 0.00 62.40 63.66 1t12 h SER 59 CO 0.80 0.41 0.39 0.61 -1.14 0.00 0.00 176.83 177.91 1t12 n GLY 60 N 0.73 4.09 3.67 -3.77 0.00 -1.26 -4.96 105.19 103.69 1t12 n GLY 60 Ca -0.07 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.20 3.20 -0.29 -0.61 -1.16 -1.25 -4.16 121.20 114.74 1t12 s ILE 61 Ca 0.34 0.45 -0.21 0.00 -0.51 0.00 0.00 60.65 60.72 1t12 s ILE 61 Cb 0.26 -3.29 -0.01 0.00 0.61 0.00 0.00 42.46 40.03 1t12 s ILE 61 CO -0.03 -0.02 0.66 0.21 -2.81 0.00 0.00 174.94 172.95 1t12 s ASN 62 N 3.17 6.56 0.12 4.50 2.47 -0.40 -4.96 114.94 126.39 1t12 s ASN 62 Ca 0.77 0.57 -0.24 0.00 0.42 0.00 0.00 52.86 54.38 1t12 s ASN 62 Cb -0.38 -2.35 -0.06 0.00 -1.45 0.00 0.00 41.25 37.01 1t12 s ASN 62 CO 0.33 -0.47 1.66 0.25 -3.72 0.00 0.00 177.10 175.15 1t12 h LEU 63 N 9.14 -0.57 -1.06 3.21 6.46 -1.92 -1.64 115.31 128.92 1t12 h LEU 63 Ca -0.26 0.08 0.09 0.00 -0.12 0.00 0.00 57.88 57.67 1t12 h LEU 63 Cb 1.11 0.24 -0.07 0.00 -0.73 0.00 0.00 40.66 41.21 1t12 h LEU 63 CO 0.81 -0.26 0.63 1.23 -0.62 0.00 0.00 178.44 180.23 1t12 h GLY 64 N -0.31 1.50 0.68 3.75 0.00 -1.97 0.50 103.07 107.22 1t12 h GLY 64 Ca 0.06 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 1t12 h GLY 64 CO -0.19 0.25 -0.13 0.50 0.00 0.00 0.00 176.54 176.98 1t12 h LYS 65 N 1.05 0.28 0.79 4.80 1.57 -1.85 0.32 116.57 123.52 1t12 h LYS 65 Ca 0.45 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1t12 h LYS 65 Cb 0.32 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.65 1t12 h LYS 65 CO -0.20 0.71 -0.38 0.00 -0.57 0.00 0.00 179.45 179.01 1t12 h ALA 66 N 0.57 -1.06 -0.99 3.86 0.00 -0.59 1.40 119.26 122.45 1t12 h ALA 66 Ca 0.01 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.79 1t12 h ALA 66 Cb 0.67 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 1t12 h ALA 66 CO 0.03 -1.04 0.63 0.00 0.00 0.00 0.00 179.25 178.88 1t12 h ALA 67 N -1.05 1.50 -0.01 0.00 0.00 -0.04 -0.20 119.26 119.46 1t12 h ALA 67 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1t12 h ALA 67 Cb 0.83 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1t12 h ALA 67 CO 0.18 0.29 -0.10 0.41 0.00 0.00 0.00 179.25 180.02 1t12 n GLY 68 N -1.36 -0.76 0.23 0.00 0.00 0.11 -4.37 105.19 99.04 1t12 n GLY 68 Ca 0.17 -0.30 0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 0.86 -0.19 -2.22 0.99 5.85 0.38 0.26 115.31 121.24 1t12 h LEU 69 Ca 0.00 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1t12 h LEU 69 Cb 0.36 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1t12 h LEU 69 CO 0.00 -0.08 0.04 1.55 -0.34 0.00 0.00 178.44 179.61 1t12 h PRO 70 N 0.15 0.00 -0.09 5.25 0.13 -1.77 -0.15 132.00 135.53 1t12 h PRO 70 Ca 0.32 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.40 1t12 h PRO 70 Cb 0.50 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 1t12 h PRO 70 CO -0.49 0.00 -0.13 0.77 -0.23 0.00 0.00 178.00 177.92 1t12 h SER 71 N 0.00 0.27 -0.16 1.44 0.02 -0.83 -2.19 113.55 112.10 1t12 h SER 71 Ca 0.02 -0.53 0.02 0.00 -0.84 0.00 0.00 61.79 60.46 1t12 h SER 71 Cb 0.09 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1t12 h SER 71 CO -0.00 0.74 0.03 0.74 -1.14 0.00 0.00 176.83 177.20 1t12 h THR 72 N -0.20 0.93 -3.50 -2.27 2.02 -0.38 -2.97 112.91 106.54 1t12 h THR 72 Ca 0.01 -0.03 -0.80 0.00 0.77 0.00 0.00 66.41 66.36 1t12 h THR 72 Cb 0.68 0.83 -0.28 0.00 -1.74 0.00 0.00 68.15 67.64 1t12 h THR 72 CO 0.03 0.02 0.45 0.00 0.37 0.00 0.00 175.52 176.39 1t12 n GLY 74 N 2.56 -0.10 3.08 0.00 0.00 -0.84 -4.59 105.19 105.30 1t12 n GLY 74 Ca 0.24 0.81 -0.09 0.00 0.00 0.00 0.00 46.02 46.98 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 4.27 0.14 -0.82 1.61 -7.23 -1.13 -5.04 120.40 112.20 1t12 s VAL 75 Ca 0.86 -1.14 -0.04 0.00 -1.81 0.00 0.00 61.98 59.84 1t12 s VAL 75 Cb -1.08 -0.81 0.08 0.00 0.56 0.00 0.00 36.38 35.13 1t12 s VAL 75 CO 0.48 -0.63 2.61 -3.20 -0.31 0.00 0.00 175.10 174.05 1t12 n ASN 76 N 0.91 7.13 -4.66 4.85 4.05 -1.26 -4.93 115.26 121.34 1t12 n ASN 76 Ca -0.20 -3.18 -0.39 0.00 0.45 0.00 0.00 54.58 51.26 1t12 n ASN 76 Cb 0.58 -1.29 -0.07 0.00 1.23 0.00 0.00 39.78 40.23 1t12 n ASN 76 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1t12 s ILE 77 N -1.78 5.09 -1.31 -1.44 -4.36 -1.26 -4.98 121.20 111.16 1t12 s ILE 77 Ca 0.57 0.98 -0.06 0.00 -0.26 0.00 0.00 60.65 61.88 1t12 s ILE 77 Cb 0.30 -3.85 0.13 0.00 1.25 0.00 0.00 42.46 40.28 1t12 s ILE 77 CO -0.17 0.16 2.32 -0.81 0.24 0.00 0.00 174.94 176.69 1t12 n PRO 78 N 4.86 4.51 -3.46 0.37 -0.04 -1.26 -4.88 135.00 135.10 1t12 n PRO 78 Ca -0.04 -3.49 -0.12 0.00 -0.04 0.00 0.00 63.50 59.80 1t12 n PRO 78 Cb 0.50 -2.66 -0.03 0.00 -0.04 0.00 0.00 33.50 31.28 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 -1.05 -0.51 -0.04 0.54 -0.85 -1.26 -5.16 117.35 109.01 1t12 s TYR 79 Ca 0.52 0.45 -0.07 0.00 -0.52 0.00 0.00 57.07 57.45 1t12 s TYR 79 Cb 0.17 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 43.00 1t12 s TYR 79 CO -0.08 -0.73 0.22 0.15 -1.52 0.00 0.00 175.55 173.59 1t12 s LYS 80 N -3.11 3.53 -1.31 -3.49 -0.14 -1.26 -4.98 119.74 108.98 1t12 s LYS 80 Ca -0.00 -0.10 -0.13 0.00 -1.36 0.00 0.00 55.97 54.37 1t12 s LYS 80 Cb -0.01 -3.13 0.12 0.00 -1.68 0.00 0.00 37.83 33.13 1t12 s LYS 80 CO -0.08 0.70 1.82 -0.89 -0.76 0.00 0.00 175.35 176.14 1t12 n ILE 81 N 1.42 4.02 -4.73 2.17 5.41 -1.26 -4.88 119.36 121.52 1t12 n ILE 81 Ca -0.14 -4.09 -0.25 0.00 1.00 0.00 0.00 62.75 59.27 1t12 n ILE 81 Cb 0.53 -2.44 -0.15 0.00 -0.71 0.00 0.00 39.64 36.88 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 2.67 2.25 -1.03 4.38 0.01 -1.26 -3.43 113.70 117.29 1t12 s SER 82 Ca 0.45 -0.43 -0.16 0.00 1.31 0.00 0.00 55.95 57.12 1t12 s SER 82 Cb 0.06 -0.21 -0.08 0.00 0.21 0.00 0.00 66.02 66.00 1t12 s SER 82 CO -0.00 0.18 2.11 -0.81 0.41 0.00 0.00 173.24 175.12 1t12 n PRO 83 N 2.21 2.10 0.21 12.44 -0.04 -1.26 -3.76 135.00 146.89 1t12 n PRO 83 Ca -0.16 -1.99 0.00 0.00 -0.04 0.00 0.00 63.50 61.31 1t12 n PRO 83 Cb 0.54 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 1t12 n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1t12 n SER 84 N 6.28 -3.69 -4.42 3.54 2.88 -1.26 -5.02 113.62 111.93 1t12 n SER 84 Ca 0.51 0.87 -0.42 0.00 -1.33 0.00 0.00 58.87 58.50 1t12 n SER 84 Cb 0.34 3.49 0.00 0.00 -0.75 0.00 0.00 64.21 67.30 1t12 n SER 84 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1t12 n THR 85 N -3.40 1.54 -2.99 2.46 5.66 -1.25 -4.96 114.28 111.35 1t12 n THR 85 Ca 0.00 -0.50 -0.31 0.00 -3.05 0.00 0.00 64.05 60.19 1t12 n THR 85 Cb 0.00 -0.41 -0.04 0.00 -1.55 0.00 0.00 70.33 68.33 1t12 n THR 85 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1t12 s ASP 86 N -0.96 6.61 -0.01 1.09 -4.77 -1.26 -4.99 116.67 112.37 1t12 s ASP 86 Ca 0.62 1.16 -0.02 0.00 -3.30 0.00 0.00 52.55 51.01 1t12 s ASP 86 Cb -0.63 -2.33 -0.01 0.00 -1.09 0.00 0.00 42.92 38.86 1t12 s ASP 86 CO 0.59 -0.31 -0.04 0.00 0.70 0.00 0.00 175.17 176.11 1t12 h SER 88 N -0.11 0.06 -0.70 0.00 4.64 -1.96 -1.87 113.55 113.61 1t12 h SER 88 Ca -0.07 0.01 -0.45 0.00 -0.47 0.00 0.00 61.79 60.81 1t12 h SER 88 Cb 0.91 -0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.79 1t12 h SER 88 CO -0.04 0.02 0.58 0.29 -0.87 0.00 0.00 176.83 176.81 1t12 n LYS 89 N -4.32 2.12 -2.81 4.77 4.76 -1.26 -4.95 118.16 116.47 1t12 n LYS 89 Ca 0.17 -2.25 -0.41 0.00 -2.87 0.00 0.00 58.31 52.95 1t12 n LYS 89 Cb 0.88 -1.88 -0.04 0.00 -1.84 0.00 0.00 35.03 32.15 1t12 n LYS 89 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1t12 s VAL 90 N -3.16 4.71 -2.82 -0.18 1.01 -0.70 -5.09 120.40 114.17 1t12 s VAL 90 Ca 0.44 1.91 0.23 0.00 0.00 0.00 0.00 61.98 64.56 1t12 s VAL 90 Cb 0.35 -4.25 0.18 0.00 0.00 0.00 0.00 36.38 32.66 1t12 s VAL 90 CO 0.01 0.28 1.21 0.00 0.00 0.00 0.00 175.10 176.60