#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tl6 n LYS 3 N 0.00 0.69 0.20 1.20 4.76 -1.26 -4.96 118.16 118.79 1tl6 n LYS 3 Ca 0.00 -3.28 0.13 0.00 -2.87 0.00 0.00 58.31 52.29 1tl6 n LYS 3 Cb 0.00 -1.34 0.73 0.00 -1.84 0.00 0.00 35.03 32.57 1tl6 n LYS 3 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 1tl6 h ASN 4 N 4.32 0.00 -0.06 4.39 2.35 -1.99 -2.77 115.58 121.81 1tl6 h ASN 4 Ca 0.11 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1tl6 h ASN 4 Cb 0.88 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.24 1tl6 h ASN 4 CO 0.46 0.00 0.01 0.40 -1.65 0.00 0.00 177.43 176.65 1tl6 h ILE 5 N 0.00 1.20 -0.69 2.81 2.04 -1.97 -0.29 117.51 120.61 1tl6 h ILE 5 Ca 0.07 -0.59 0.12 0.00 1.00 0.00 0.00 64.86 65.46 1tl6 h ILE 5 Cb 0.31 1.48 -0.13 0.00 -0.74 0.00 0.00 36.82 37.74 1tl6 h ILE 5 CO -0.00 0.17 -0.31 -0.78 0.00 0.00 0.00 178.15 177.22 1tl6 h ASP 6 N -0.12 -1.11 0.37 1.72 3.58 -1.93 0.43 116.42 119.35 1tl6 h ASP 6 Ca 0.02 0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.71 1tl6 h ASP 6 Cb 0.25 0.58 -0.02 0.00 1.72 0.00 0.00 39.33 41.86 1tl6 h ASP 6 CO 0.00 -0.29 -0.35 0.74 -2.88 0.00 0.00 179.24 176.46 1tl6 h THR 7 N -0.10 0.28 0.16 2.25 2.02 -1.37 -3.05 112.91 113.10 1tl6 h THR 7 Ca 0.28 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.45 1tl6 h THR 7 Cb 0.56 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1tl6 h THR 7 CO -0.75 0.00 -0.08 0.58 0.37 0.00 0.00 175.52 175.64 1tl6 h VAL 8 N -0.74 0.87 0.00 3.16 2.07 -0.76 -2.82 116.25 118.04 1tl6 h VAL 8 Ca -0.03 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1tl6 h VAL 8 Cb 0.66 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1tl6 h VAL 8 CO -0.05 0.03 -0.19 0.08 0.02 0.00 0.00 177.57 177.46 1tl6 h ARG 9 N -0.27 0.00 0.31 1.57 0.11 -0.20 0.12 114.38 116.01 1tl6 h ARG 9 Ca -0.02 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 1tl6 h ARG 9 Cb 0.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.29 1tl6 h ARG 9 CO 0.04 0.19 -0.20 1.49 0.10 0.00 0.00 179.97 181.58 1tl6 h GLU 10 N 0.00 -0.48 -0.48 0.08 4.81 -1.56 -0.22 114.58 116.72 1tl6 h GLU 10 Ca -0.00 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.40 1tl6 h GLU 10 Cb 0.38 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1tl6 h GLU 10 CO 0.02 -0.32 0.35 0.82 -0.73 0.00 0.00 179.01 179.16 1tl6 h ILE 11 N -0.50 0.73 0.10 2.32 2.04 -0.59 0.17 117.51 121.77 1tl6 h ILE 11 Ca -0.03 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.70 1tl6 h ILE 11 Cb 0.42 0.75 0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1tl6 h ILE 11 CO 0.02 0.00 -0.62 0.40 0.00 0.00 0.00 178.15 177.95 1tl6 h ILE 12 N 0.00 1.56 0.16 -0.67 2.04 -0.73 -2.55 117.51 117.32 1tl6 h ILE 12 Ca 0.23 -2.47 0.02 0.00 1.00 0.00 0.00 64.86 63.64 1tl6 h ILE 12 Cb 0.93 3.21 -0.04 0.00 -0.74 0.00 0.00 36.82 40.18 1tl6 h ILE 12 CO -0.00 0.68 -0.43 0.74 0.00 0.00 0.00 178.15 179.14 1tl6 h THR 13 N -0.57 0.15 -0.06 -0.27 2.02 -0.48 -1.21 112.91 112.49 1tl6 h THR 13 Ca -0.11 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.90 1tl6 h THR 13 Cb 1.45 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1tl6 h THR 13 CO 0.09 0.00 -0.68 -0.37 0.37 0.00 0.00 175.52 174.93 1tl6 h VAL 14 N -0.69 1.40 0.43 3.16 -1.51 -0.79 -0.40 116.25 117.85 1tl6 h VAL 14 Ca 0.01 -2.13 -0.01 0.00 -1.23 0.00 0.00 66.70 63.34 1tl6 h VAL 14 Cb 0.70 2.10 -0.01 0.00 -2.13 0.00 0.00 31.29 31.95 1tl6 h VAL 14 CO -0.22 0.63 -0.32 0.00 -1.23 0.00 0.00 177.57 176.43 1tl6 h ALA 15 N 1.09 -0.74 -0.68 5.19 0.00 -1.48 -3.04 119.26 119.60 1tl6 h ALA 15 Ca -0.02 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1tl6 h ALA 15 Cb 1.22 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 1tl6 h ALA 15 CO 0.11 -0.94 0.45 0.77 0.00 0.00 0.00 179.25 179.64 1tl6 h SER 16 N -0.73 0.54 -0.77 0.00 0.02 -0.88 0.27 113.55 112.00 1tl6 h SER 16 Ca -0.04 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1tl6 h SER 16 Cb 0.62 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 1tl6 h SER 16 CO 0.01 0.34 0.51 0.40 -1.14 0.00 0.00 176.83 176.94 1tl6 h ILE 17 N 0.61 1.20 0.00 3.27 2.04 -1.04 -0.31 117.51 123.28 1tl6 h ILE 17 Ca 0.30 -0.38 -0.23 0.00 1.00 0.00 0.00 64.86 65.55 1tl6 h ILE 17 Cb 0.39 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 1tl6 h ILE 17 CO -0.10 0.20 -1.38 0.25 0.00 0.00 0.00 178.15 177.12 1tl6 h LEU 18 N 1.05 0.00 0.00 1.44 7.12 -1.14 -3.38 115.31 120.39 1tl6 h LEU 18 Ca 0.28 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 58.17 1tl6 h LEU 18 Cb -0.11 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.00 1tl6 h LEU 18 CO -0.06 0.87 -1.35 2.30 -0.13 0.00 0.00 178.44 180.07 1tl6 n ILE 19 N -3.10 1.02 0.00 4.05 -5.35 0.85 -0.50 119.36 116.32 1tl6 n ILE 19 Ca -0.10 -0.65 0.00 0.00 -0.27 0.00 0.00 62.75 61.73 1tl6 n ILE 19 Cb 0.95 -0.61 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 1tl6 n ILE 19 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1tl6 n LYS 20 N -2.81 0.00 -2.87 6.28 5.02 -0.13 -4.25 118.16 119.39 1tl6 n LYS 20 Ca -0.08 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.78 1tl6 n LYS 20 Cb 0.77 -0.18 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 1tl6 n LYS 20 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1tl6 n PHE 21 N 0.00 3.69 0.00 2.13 7.35 -1.26 -4.52 117.46 124.85 1tl6 n PHE 21 Ca 0.00 -3.09 0.00 0.00 -0.76 0.00 0.00 57.45 53.60 1tl6 n PHE 21 Cb 0.00 -1.75 0.00 0.00 0.35 0.00 0.00 39.48 38.08 1tl6 n PHE 21 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1tl6 n SER 22 N 3.28 0.00 -3.41 -2.13 7.64 -1.26 -4.94 113.62 112.81 1tl6 n SER 22 Ca 0.32 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 60.03 1tl6 n SER 22 Cb 0.37 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.48 1tl6 n SER 22 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1tl6 s ARG 23 N 0.00 0.31 0.02 1.43 1.81 0.34 -4.98 118.95 117.88 1tl6 s ARG 23 Ca 0.00 -0.06 0.10 0.00 -1.72 0.00 0.00 55.73 54.06 1tl6 s ARG 23 Cb 0.00 -0.70 -0.22 0.00 -0.45 0.00 0.00 34.95 33.58 1tl6 s ARG 23 CO 0.00 -0.96 0.91 0.93 -0.68 0.00 0.00 175.30 175.49 1tl6 h GLU 24 N 8.26 0.00 -0.87 3.54 3.07 -1.78 -3.36 114.58 123.44 1tl6 h GLU 24 Ca -0.14 -0.00 0.25 0.00 -0.50 0.00 0.00 59.36 58.97 1tl6 h GLU 24 Cb 1.09 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.97 1tl6 h GLU 24 CO 0.32 0.69 0.69 0.22 -1.40 0.00 0.00 179.01 179.54 1tl6 h ASP 25 N 0.00 0.00 0.17 1.42 3.58 -1.94 -1.37 116.42 118.27 1tl6 h ASP 25 Ca -0.18 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 56.98 1tl6 h ASP 25 Cb 1.92 0.00 0.03 0.00 1.72 0.00 0.00 39.33 43.00 1tl6 h ASP 25 CO 0.10 0.00 -1.27 0.40 -2.88 0.00 0.00 179.24 175.59 1tl6 h ILE 26 N 0.00 1.31 0.00 2.25 2.04 -1.90 -3.29 117.51 117.92 1tl6 h ILE 26 Ca 0.41 -2.54 -0.01 0.00 1.00 0.00 0.00 64.86 63.72 1tl6 h ILE 26 Cb 1.79 2.88 -0.00 0.00 -0.74 0.00 0.00 36.82 40.75 1tl6 h ILE 26 CO -0.00 0.76 -0.06 1.62 0.00 0.00 0.00 178.15 180.46 1tl6 h VAL 27 N 0.14 0.19 -0.20 1.67 3.04 -1.46 -2.92 116.25 116.71 1tl6 h VAL 27 Ca -0.21 -0.60 0.03 0.00 -1.01 0.00 0.00 66.70 64.91 1tl6 h VAL 27 Cb 1.96 1.50 -0.03 0.00 -2.01 0.00 0.00 31.29 32.72 1tl6 h VAL 27 CO 0.24 0.06 0.04 -0.33 -1.01 0.00 0.00 177.57 176.57 1tl6 h GLU 28 N 0.00 0.11 -4.01 4.17 5.08 -1.61 -3.33 114.58 114.99 1tl6 h GLU 28 Ca -0.00 -0.01 -0.76 0.00 -1.00 0.00 0.00 59.36 57.59 1tl6 h GLU 28 Cb 0.50 -0.03 -0.26 0.00 0.50 0.00 0.00 28.75 29.46 1tl6 h GLU 28 CO 0.01 0.07 -0.15 1.21 -1.00 0.00 0.00 179.01 179.16 1tl6 s ASN 29 N -5.27 6.27 0.60 1.42 3.84 -1.17 -4.98 114.94 115.65 1tl6 s ASN 29 Ca -0.13 -2.14 0.35 0.00 0.21 0.00 0.00 52.86 51.15 1tl6 s ASN 29 Cb 0.09 -2.17 1.94 0.00 -0.55 0.00 0.00 41.25 40.57 1tl6 s ASN 29 CO 0.69 -0.72 2.24 0.03 -2.79 0.00 0.00 177.10 176.54 1tl6 h ARG 30 N 8.40 0.00 0.00 0.43 3.08 -1.73 -0.91 114.38 123.65 1tl6 h ARG 30 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1tl6 h ARG 30 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1tl6 h ARG 30 CO 0.91 0.03 -0.07 0.00 -1.07 0.00 0.00 179.97 179.77 1tl6 h ALA 31 N 1.97 0.96 0.07 0.04 0.00 -1.94 -0.75 119.26 119.61 1tl6 h ALA 31 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1tl6 h ALA 31 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1tl6 h ALA 31 CO 0.00 0.00 -0.03 -0.91 0.00 0.00 0.00 179.25 178.31 1tl6 h ASN 32 N 0.00 -0.07 -0.35 0.00 4.21 -1.41 -3.08 115.58 114.88 1tl6 h ASN 32 Ca 0.00 -0.53 0.07 0.00 1.21 0.00 0.00 56.30 57.05 1tl6 h ASN 32 Cb 0.78 0.02 -0.07 0.00 -1.12 0.00 0.00 38.32 37.92 1tl6 h ASN 32 CO 0.00 0.55 -0.14 0.15 -1.29 0.00 0.00 177.43 176.69 1tl6 h PHE 33 N -0.75 -0.34 0.34 1.19 3.57 -1.28 -2.59 116.94 117.08 1tl6 h PHE 33 Ca -0.01 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1tl6 h PHE 33 Cb 0.60 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1tl6 h PHE 33 CO 0.13 -0.22 -0.16 0.82 -2.23 0.00 0.00 178.31 176.65 1tl6 h ILE 34 N -0.08 0.67 0.00 1.41 2.04 -1.26 -0.17 117.51 120.12 1tl6 h ILE 34 Ca 0.17 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.03 1tl6 h ILE 34 Cb 0.34 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1tl6 h ILE 34 CO -0.40 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 177.74 1tl6 h ALA 35 N 0.22 1.01 0.00 1.87 0.00 -1.43 0.24 119.26 121.16 1tl6 h ALA 35 Ca -0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1tl6 h ALA 35 Cb 0.35 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1tl6 h ALA 35 CO 0.07 0.02 -0.96 0.35 0.00 0.00 0.00 179.25 178.73 1tl6 h PHE 36 N 0.00 0.00 0.00 0.00 3.04 -1.21 -2.86 116.94 115.90 1tl6 h PHE 36 Ca -0.00 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 1tl6 h PHE 36 Cb 0.47 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.97 1tl6 h PHE 36 CO 0.00 0.42 -0.34 1.25 -2.02 0.00 0.00 178.31 177.61 1tl6 h LEU 37 N 0.00 0.00 -0.23 0.59 5.85 0.89 -2.89 115.31 119.52 1tl6 h LEU 37 Ca -0.07 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.44 1tl6 h LEU 37 Cb 1.38 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 1tl6 h LEU 37 CO 0.04 0.34 -0.92 0.78 -0.34 0.00 0.00 178.44 178.35 1tl6 h ASN 38 N 0.00 0.26 -0.93 1.25 2.35 -1.23 -3.22 115.58 114.06 1tl6 h ASN 38 Ca -0.00 -0.22 0.26 0.00 -0.55 0.00 0.00 56.30 55.78 1tl6 h ASN 38 Cb 0.90 -0.08 -0.14 0.00 0.05 0.00 0.00 38.32 39.05 1tl6 h ASN 38 CO 0.04 1.04 0.39 -0.33 -1.65 0.00 0.00 177.43 176.93 1tl6 h GLU 39 N 0.10 0.30 -0.91 0.81 4.39 -1.30 0.13 114.58 118.11 1tl6 h GLU 39 Ca -0.05 -0.02 0.26 0.00 0.34 0.00 0.00 59.36 59.89 1tl6 h GLU 39 Cb 1.56 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 30.10 1tl6 h GLU 39 CO 0.14 0.20 0.65 0.82 -1.16 0.00 0.00 179.01 179.65 1tl6 h ILE 40 N 0.31 0.56 -0.11 3.13 2.04 -1.54 -3.46 117.51 118.44 1tl6 h ILE 40 Ca 0.61 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.45 1tl6 h ILE 40 Cb 1.26 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1tl6 h ILE 40 CO -0.60 0.01 0.00 0.61 0.00 0.00 0.00 178.15 178.17 1tl6 n GLY 41 N -1.68 1.32 3.41 5.37 0.00 0.03 -5.08 105.19 108.56 1tl6 n GLY 41 Ca 0.19 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1tl6 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tl6 s VAL 42 N -2.11 3.94 0.16 1.61 1.01 -1.25 -5.06 120.40 118.70 1tl6 s VAL 42 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1tl6 s VAL 42 Cb 0.00 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1tl6 s VAL 42 CO 0.00 0.40 0.13 0.42 0.00 0.00 0.00 175.10 176.05 1tl6 s THR 43 N 1.33 0.06 0.00 3.92 -4.23 -1.26 -4.26 115.64 111.19 1tl6 s THR 43 Ca 0.04 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 1tl6 s THR 43 Cb -0.15 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.52 1tl6 s THR 43 CO 0.01 -0.26 0.00 1.41 -0.54 0.00 0.00 174.62 175.24 1tl6 n HIS 44 N -0.18 0.00 -0.53 3.99 8.25 0.27 -4.92 115.22 122.10 1tl6 n HIS 44 Ca -0.03 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.24 1tl6 n HIS 44 Cb 0.64 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.73 1tl6 n HIS 44 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1tl6 n GLU 45 N 0.00 1.21 -0.14 -0.41 2.13 -1.26 -3.77 120.64 118.40 1tl6 n GLU 45 Ca 0.00 -1.16 0.00 0.00 0.66 0.00 0.00 57.16 56.66 1tl6 n GLU 45 Cb 0.00 -2.36 0.00 0.00 0.27 0.00 0.00 31.44 29.35 1tl6 n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tl6 n GLY 46 N 4.00 2.42 3.34 8.31 0.00 -1.26 -4.95 105.19 117.05 1tl6 n GLY 46 Ca 0.31 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 1tl6 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tl6 s ARG 47 N -0.10 1.55 1.03 1.61 0.52 -1.25 -5.16 118.95 117.15 1tl6 s ARG 47 Ca 0.00 -1.88 -0.12 0.00 -0.52 0.00 0.00 55.73 53.21 1tl6 s ARG 47 Cb 0.00 -0.17 0.21 0.00 0.52 0.00 0.00 34.95 35.51 1tl6 s ARG 47 CO 0.00 -0.40 1.07 0.15 0.02 0.00 0.00 175.30 176.14 1tl6 s LYS 48 N -3.88 0.14 -0.39 3.54 3.01 -1.26 -0.56 119.74 120.34 1tl6 s LYS 48 Ca 0.36 0.88 -0.26 0.00 -1.01 0.00 0.00 55.97 55.94 1tl6 s LYS 48 Cb 0.06 -1.67 0.02 0.00 -1.01 0.00 0.00 37.83 35.22 1tl6 s LYS 48 CO 0.16 -3.02 0.93 -1.17 0.51 0.00 0.00 175.35 172.76 1tl6 s LEU 49 N -6.74 3.99 0.18 3.17 1.98 -1.26 -4.56 118.68 115.44 1tl6 s LEU 49 Ca 0.66 0.50 0.07 0.00 -2.89 0.00 0.00 54.13 52.47 1tl6 s LEU 49 Cb -0.22 -3.25 -0.04 0.00 0.66 0.00 0.00 46.19 43.34 1tl6 s LEU 49 CO 0.60 -0.89 0.03 0.20 -1.89 0.00 0.00 176.35 174.40 1tl6 s ASN 50 N 1.95 4.91 0.24 3.68 -0.87 -1.26 -4.89 114.94 118.71 1tl6 s ASN 50 Ca 0.38 -0.36 0.11 0.00 -1.57 0.00 0.00 52.86 51.42 1tl6 s ASN 50 Cb -0.12 -1.09 0.20 0.00 -0.02 0.00 0.00 41.25 40.23 1tl6 s ASN 50 CO 0.20 0.08 1.51 0.06 -2.57 0.00 0.00 177.10 176.38 1tl6 h GLN 51 N 2.57 0.00 -0.57 -0.60 3.07 -1.99 -3.25 115.11 114.34 1tl6 h GLN 51 Ca -0.47 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.22 1tl6 h GLN 51 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.74 1tl6 h GLN 51 CO 0.59 0.68 0.16 -0.97 0.09 0.00 0.00 178.83 179.38 1tl6 h ASN 52 N 0.00 0.81 0.00 0.06 -1.24 -2.03 -2.95 115.58 110.23 1tl6 h ASN 52 Ca -0.01 -0.14 0.00 0.00 0.71 0.00 0.00 56.30 56.86 1tl6 h ASN 52 Cb 1.30 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.14 1tl6 h ASN 52 CO 0.09 0.78 0.00 -1.20 -1.29 0.00 0.00 177.43 175.81 1tl6 n SER 53 N -4.28 0.49 0.02 1.15 7.64 -1.23 -2.40 113.62 115.01 1tl6 n SER 53 Ca 0.04 -1.13 0.11 0.00 1.01 0.00 0.00 58.87 58.90 1tl6 n SER 53 Cb 0.22 -0.24 -0.04 0.00 -1.01 0.00 0.00 64.21 63.13 1tl6 n SER 53 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1tl6 n PHE 54 N 0.12 0.21 -0.15 1.43 -0.00 -1.11 -3.16 117.46 114.79 1tl6 n PHE 54 Ca 0.00 0.06 -0.03 0.00 -0.00 0.00 0.00 57.45 57.48 1tl6 n PHE 54 Cb 0.12 -0.41 0.04 0.00 -0.00 0.00 0.00 39.48 39.23 1tl6 n PHE 54 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.76 176.83 1tl6 h ARG 55 N 0.00 0.02 -0.01 -4.13 0.11 -1.72 -0.03 114.38 108.61 1tl6 h ARG 55 Ca 0.00 -0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.10 1tl6 h ARG 55 Cb 0.76 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 31.81 1tl6 h ARG 55 CO 0.00 0.02 -0.13 0.87 0.10 0.00 0.00 179.97 180.83 1tl6 h LYS 56 N 0.02 -0.21 -0.34 0.08 1.57 -1.79 -1.38 116.57 114.53 1tl6 h LYS 56 Ca 0.23 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.07 1tl6 h LYS 56 Cb 0.35 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.63 1tl6 h LYS 56 CO -0.47 -0.14 -0.53 0.82 -0.57 0.00 0.00 179.45 178.57 1tl6 h ILE 57 N -0.21 0.03 0.00 1.86 2.04 -1.48 -2.99 117.51 116.75 1tl6 h ILE 57 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1tl6 h ILE 57 Cb 0.28 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1tl6 h ILE 57 CO -0.14 0.00 -0.32 1.62 0.00 0.00 0.00 178.15 179.31 1tl6 h VAL 58 N -0.43 0.00 -0.15 1.67 3.04 -0.91 -2.61 116.25 116.85 1tl6 h VAL 58 Ca 0.08 -0.62 -0.17 0.00 -1.01 0.00 0.00 66.70 64.97 1tl6 h VAL 58 Cb 0.62 1.42 -0.00 0.00 -2.01 0.00 0.00 31.29 31.32 1tl6 h VAL 58 CO -0.55 0.00 -0.62 -1.28 -1.01 0.00 0.00 177.57 174.11 1tl6 h SER 59 N 0.00 0.60 0.63 3.17 0.87 -1.22 -2.97 113.55 114.63 1tl6 h SER 59 Ca 0.00 -0.35 -0.09 0.00 -1.23 0.00 0.00 61.79 60.12 1tl6 h SER 59 Cb 0.81 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1tl6 h SER 59 CO 0.00 1.07 -0.44 -0.33 -0.53 0.00 0.00 176.83 176.60 1tl6 h GLU 60 N 0.39 0.00 -5.17 2.24 5.08 -1.36 -3.43 114.58 112.32 1tl6 h GLU 60 Ca -0.01 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 1tl6 h GLU 60 Cb 1.18 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.27 1tl6 h GLU 60 CO 0.11 0.44 -0.07 -0.51 -1.00 0.00 0.00 179.01 177.98 1tl6 s LEU 61 N -7.52 4.47 0.00 1.33 1.43 -1.00 -5.07 118.68 112.32 1tl6 s LEU 61 Ca -0.01 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1tl6 s LEU 61 Cb 0.12 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.79 1tl6 s LEU 61 CO 0.71 -0.54 0.00 0.35 0.23 0.00 0.00 176.35 177.11 1tl6 n THR 62 N 5.48 0.00 0.33 5.49 -2.24 -1.26 -4.84 114.28 117.24 1tl6 n THR 62 Ca -0.05 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.94 1tl6 n THR 62 Cb 0.48 -0.96 1.14 0.00 -2.10 0.00 0.00 70.33 68.90 1tl6 n THR 62 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1tl6 h GLN 63 N 0.00 0.00 -0.95 -0.78 4.15 -1.98 -1.96 115.11 113.58 1tl6 h GLN 63 Ca 0.00 0.00 0.25 0.00 0.77 0.00 0.00 58.65 59.67 1tl6 h GLN 63 Cb 0.00 0.00 -0.18 0.00 0.21 0.00 0.00 27.48 27.51 1tl6 h GLN 63 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 178.83 177.84 1tl6 h GLU 64 N 0.00 0.03 0.59 1.69 5.08 -1.99 -1.63 114.58 118.34 1tl6 h GLU 64 Ca -0.00 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1tl6 h GLU 64 Cb 0.00 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1tl6 h GLU 64 CO 0.00 0.02 -0.28 0.38 -1.00 0.00 0.00 179.01 178.13 1tl6 h ASP 65 N 0.03 -0.67 -0.48 1.42 2.03 -1.71 -2.68 116.42 114.37 1tl6 h ASP 65 Ca 0.56 0.02 0.04 0.00 -0.73 0.00 0.00 57.03 56.93 1tl6 h ASP 65 Cb 1.11 0.17 -0.06 0.00 -0.83 0.00 0.00 39.33 39.72 1tl6 h ASP 65 CO -0.89 -0.46 -0.28 1.17 -1.03 0.00 0.00 179.24 177.75 1tl6 n LYS 66 N -4.24 -0.21 -0.18 4.15 4.81 -1.15 -1.07 118.16 120.26 1tl6 n LYS 66 Ca -0.10 1.01 -0.09 0.00 -0.87 0.00 0.00 58.31 58.26 1tl6 n LYS 66 Cb 0.31 -1.49 -0.04 0.00 0.02 0.00 0.00 35.03 33.83 1tl6 n LYS 66 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1tl6 h LYS 67 N 0.00 -0.25 -0.19 1.64 1.63 -1.37 -2.21 116.57 115.83 1tl6 h LYS 67 Ca 0.08 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 1tl6 h LYS 67 Cb 0.20 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 1tl6 h LYS 67 CO -0.45 -0.17 0.06 1.15 -3.45 0.00 0.00 179.45 176.60 1tl6 h THR 68 N -0.26 1.18 -0.04 1.00 2.02 -1.10 -0.22 112.91 115.50 1tl6 h THR 68 Ca 0.17 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1tl6 h THR 68 Cb 0.57 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1tl6 h THR 68 CO -0.65 0.17 0.00 0.25 0.37 0.00 0.00 175.52 175.66 1tl6 h LEU 69 N 0.14 0.06 0.12 2.58 6.46 -1.00 -2.97 115.31 120.70 1tl6 h LEU 69 Ca 0.06 -0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 57.51 1tl6 h LEU 69 Cb 0.21 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1tl6 h LEU 69 CO -0.00 0.35 -0.06 0.40 -0.62 0.00 0.00 178.44 178.51 1tl6 h ILE 70 N -0.23 0.99 -0.82 4.05 2.04 -1.38 -0.77 117.51 121.39 1tl6 h ILE 70 Ca 0.01 -0.42 0.20 0.00 1.00 0.00 0.00 64.86 65.66 1tl6 h ILE 70 Cb 0.32 1.25 -0.14 0.00 -0.74 0.00 0.00 36.82 37.51 1tl6 h ILE 70 CO 0.00 0.10 0.09 -0.78 0.00 0.00 0.00 178.15 177.56 1tl6 h ASP 71 N -0.35 -0.24 0.06 1.72 3.58 -1.07 -2.88 116.42 117.24 1tl6 h ASP 71 Ca -0.02 0.21 -0.13 0.00 0.42 0.00 0.00 57.03 57.50 1tl6 h ASP 71 Cb 0.29 0.33 0.01 0.00 1.72 0.00 0.00 39.33 41.68 1tl6 h ASP 71 CO 0.03 -0.19 -0.56 -0.33 -2.88 0.00 0.00 179.24 175.31 1tl6 h GLU 72 N 0.13 0.28 -2.83 0.28 5.08 -1.34 -3.47 114.58 112.71 1tl6 h GLU 72 Ca 0.48 -0.38 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 1tl6 h GLU 72 Cb 0.91 0.13 -0.26 0.00 0.50 0.00 0.00 28.75 30.02 1tl6 h GLU 72 CO -0.69 1.12 -0.33 -0.59 -1.00 0.00 0.00 179.01 177.52 1tl6 s PHE 73 N -2.76 -0.45 -0.05 4.33 -0.71 -0.31 -5.04 117.98 112.99 1tl6 s PHE 73 Ca -0.14 1.03 -0.01 0.00 -1.04 0.00 0.00 56.93 56.77 1tl6 s PHE 73 Cb 0.01 0.16 -0.26 0.00 -1.21 0.00 0.00 43.02 41.72 1tl6 s PHE 73 CO 0.80 -0.25 0.65 -0.91 -1.34 0.00 0.00 175.22 174.17 1tl6 h ASN 74 N 6.36 0.31 -0.83 1.98 4.21 -1.82 -3.35 115.58 122.44 1tl6 h ASN 74 Ca -0.32 -0.56 0.02 0.00 1.21 0.00 0.00 56.30 56.65 1tl6 h ASN 74 Cb 1.18 -0.10 -0.04 0.00 -1.12 0.00 0.00 38.32 38.23 1tl6 h ASN 74 CO 0.30 1.48 0.55 -0.33 -1.29 0.00 0.00 177.43 178.15 1tl6 h GLU 75 N 0.05 1.04 0.07 0.81 5.08 -1.96 -0.96 114.58 118.72 1tl6 h GLU 75 Ca -0.31 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 57.80 1tl6 h GLU 75 Cb 2.02 -0.24 0.02 0.00 0.50 0.00 0.00 28.75 31.06 1tl6 h GLU 75 CO 0.12 0.69 -0.77 0.78 -1.00 0.00 0.00 179.01 178.83 1tl6 h GLY 76 N 1.08 0.44 0.97 -3.84 0.00 -1.98 -0.57 103.07 99.17 1tl6 h GLY 76 Ca 0.32 -0.92 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1tl6 h GLY 76 CO -0.08 0.81 -0.06 -2.75 0.00 0.00 0.00 176.54 174.45 1tl6 h PHE 77 N -0.16 -0.17 -0.33 5.60 3.57 -1.79 -1.26 116.94 122.40 1tl6 h PHE 77 Ca -0.12 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.35 1tl6 h PHE 77 Cb 1.52 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.30 1tl6 h PHE 77 CO 0.16 -0.07 0.11 1.49 -2.23 0.00 0.00 178.31 177.77 1tl6 h GLU 78 N -0.22 0.51 -0.31 1.11 4.57 -1.28 -1.45 114.58 117.51 1tl6 h GLU 78 Ca -0.02 -0.11 0.07 0.00 -1.18 0.00 0.00 59.36 58.12 1tl6 h GLU 78 Cb 0.17 -0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 28.61 1tl6 h GLU 78 CO 0.03 0.54 -0.24 0.78 -1.18 0.00 0.00 179.01 178.94 1tl6 h GLY 79 N 0.38 -0.11 1.79 1.92 0.00 -1.04 0.83 103.07 106.85 1tl6 h GLY 79 Ca 0.11 0.30 -0.17 0.00 0.00 0.00 0.00 47.33 47.57 1tl6 h GLY 79 CO -0.00 -0.20 -0.75 -0.24 0.00 0.00 0.00 176.54 175.34 1tl6 h VAL 80 N -0.22 1.45 -0.63 4.60 3.04 -1.21 -2.44 116.25 120.84 1tl6 h VAL 80 Ca 0.16 -2.34 -0.06 0.00 -1.01 0.00 0.00 66.70 63.45 1tl6 h VAL 80 Cb 0.46 2.26 -0.03 0.00 -2.01 0.00 0.00 31.29 31.98 1tl6 h VAL 80 CO -0.44 0.68 0.15 0.22 -1.01 0.00 0.00 177.57 177.18 1tl6 h TYR 81 N 0.13 1.03 -0.72 3.17 3.20 -0.95 0.13 116.97 122.95 1tl6 h TYR 81 Ca -0.03 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 1tl6 h TYR 81 Cb 1.32 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 1tl6 h TYR 81 CO 0.02 0.85 0.42 -0.09 -1.64 0.00 0.00 178.16 177.72 1tl6 h ARG 82 N 0.94 0.98 -0.03 1.82 2.43 -0.80 -2.19 114.38 117.52 1tl6 h ARG 82 Ca 0.20 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1tl6 h ARG 82 Cb 0.34 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1tl6 h ARG 82 CO 0.00 0.70 0.02 -0.92 -1.51 0.00 0.00 179.97 178.25 1tl6 h TYR 83 N 0.99 0.05 -0.57 2.20 5.03 -0.85 -2.87 116.97 120.95 1tl6 h TYR 83 Ca 0.26 -0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.66 1tl6 h TYR 83 Cb -0.02 -0.01 -0.08 0.00 1.55 0.00 0.00 36.73 38.17 1tl6 h TYR 83 CO 0.00 0.11 0.16 -0.07 -1.32 0.00 0.00 178.16 177.04 1tl6 h LEU 84 N -0.04 0.09 -0.71 2.82 3.38 -0.28 0.27 115.31 120.84 1tl6 h LEU 84 Ca 0.01 0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1tl6 h LEU 84 Cb 0.08 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1tl6 h LEU 84 CO -0.00 0.06 -0.63 -0.33 0.09 0.00 0.00 178.44 177.63 1tl6 h GLU 85 N 0.31 0.05 0.16 1.13 5.08 -1.46 -2.86 114.58 116.99 1tl6 h GLU 85 Ca 0.29 -0.04 -0.33 0.00 -1.00 0.00 0.00 59.36 58.28 1tl6 h GLU 85 Cb 0.39 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1tl6 h GLU 85 CO -0.34 0.66 -1.66 0.52 -1.00 0.00 0.00 179.01 177.19 1tl6 h MET 86 N 0.04 0.34 0.00 2.33 2.86 -1.19 -3.45 114.93 115.86 1tl6 h MET 86 Ca -0.01 -0.58 0.00 0.00 -2.06 0.00 0.00 59.70 57.05 1tl6 h MET 86 Cb 1.13 0.22 0.00 0.00 0.06 0.00 0.00 31.60 33.00 1tl6 h MET 86 CO 0.09 1.28 0.00 0.66 1.06 0.00 0.00 176.91 179.99 1tl6 n TYR 87 N -3.69 0.00 -3.54 -0.22 4.01 0.91 -5.10 117.16 109.54 1tl6 n TYR 87 Ca -0.25 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.39 1tl6 n TYR 87 Cb 1.02 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.01 1tl6 n TYR 87 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1tl6 s THR 88 N -0.55 0.00 0.15 -0.72 -1.32 -1.08 -5.01 115.64 107.11 1tl6 s THR 88 Ca 0.00 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.31 1tl6 s THR 88 Cb 0.00 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.92 1tl6 s THR 88 CO 0.00 0.00 0.61 0.21 -2.21 0.00 0.00 174.62 173.23 1tl6 s ASN 89 N -1.74 6.95 0.00 8.08 3.84 -1.26 -4.30 114.94 126.51 1tl6 s ASN 89 Ca 0.01 1.23 0.29 0.00 0.21 0.00 0.00 52.86 54.59 1tl6 s ASN 89 Cb -0.01 -2.35 1.28 0.00 -0.55 0.00 0.00 41.25 39.62 1tl6 s ASN 89 CO -0.03 0.12 1.87 2.29 -2.79 0.00 0.00 177.10 178.57