#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 0.00 0.04 3.52 3.00 -1.26 -4.86 118.16 118.60 1tl6 n LYS 3 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.13 1tl6 n LYS 3 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.89 1tl6 n LYS 3 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1tl6 h ASN 4 N 0.00 0.37 0.50 3.14 2.35 -1.99 -3.14 115.58 116.81 1tl6 h ASN 4 Ca 0.00 -0.61 -0.07 0.00 -0.55 0.00 0.00 56.30 55.07 1tl6 h ASN 4 Cb 0.00 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1tl6 h ASN 4 CO 0.00 1.53 -0.33 -0.29 -1.65 0.00 0.00 177.43 176.69 1tl6 h ILE 5 N 0.07 1.03 -0.26 2.81 -0.00 -1.93 -0.51 117.51 118.71 1tl6 h ILE 5 Ca -0.30 -1.21 0.03 0.00 -0.00 0.00 0.00 64.86 63.38 1tl6 h ILE 5 Cb 2.03 1.69 -0.05 0.00 -0.00 0.00 0.00 36.82 40.49 1tl6 h ILE 5 CO 0.14 0.32 -0.37 -0.78 -0.00 0.00 0.00 178.15 177.46 1tl6 h ASP 6 N 0.00 -1.23 0.01 2.19 3.58 -1.90 0.56 116.42 119.63 1tl6 h ASP 6 Ca -0.00 0.16 0.03 0.00 0.42 0.00 0.00 57.03 57.64 1tl6 h ASP 6 Cb 0.67 0.50 -0.05 0.00 1.72 0.00 0.00 39.33 42.17 1tl6 h ASP 6 CO 0.04 -0.27 -0.40 0.74 -2.88 0.00 0.00 179.24 176.48 1tl6 h THR 7 N -0.27 0.19 -0.26 2.25 2.02 -1.29 -2.42 112.91 113.13 1tl6 h THR 7 Ca 0.05 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.28 1tl6 h THR 7 Cb 0.40 0.19 -0.08 0.00 -1.74 0.00 0.00 68.15 66.92 1tl6 h THR 7 CO -0.39 0.00 -0.47 0.58 0.37 0.00 0.00 175.52 175.61 1tl6 h VAL 8 N -0.56 0.08 -0.42 3.16 2.07 -1.21 -2.92 116.25 116.47 1tl6 h VAL 8 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1tl6 h VAL 8 Cb 0.63 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1tl6 h VAL 8 CO -0.30 0.00 0.26 0.08 0.02 0.00 0.00 177.57 177.62 1tl6 h ARG 9 N -0.44 0.56 -0.63 1.57 0.11 -0.75 -0.06 114.38 114.73 1tl6 h ARG 9 Ca 0.09 -0.04 0.03 0.00 0.10 0.00 0.00 59.98 60.16 1tl6 h ARG 9 Cb 0.62 -0.12 -0.04 0.00 1.11 0.00 0.00 29.97 31.54 1tl6 h ARG 9 CO -0.49 0.39 0.39 1.49 0.10 0.00 0.00 179.97 181.85 1tl6 h GLU 10 N 0.58 0.73 -0.04 0.08 4.57 -1.40 0.03 114.58 119.13 1tl6 h GLU 10 Ca 0.15 -0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 58.14 1tl6 h GLU 10 Cb -0.03 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 1tl6 h GLU 10 CO -0.03 0.48 -0.65 0.82 -1.18 0.00 0.00 179.01 178.46 1tl6 h ILE 11 N 0.75 1.42 -0.14 2.32 2.04 -0.98 -1.48 117.51 121.44 1tl6 h ILE 11 Ca 0.26 -2.12 -0.19 0.00 1.00 0.00 0.00 64.86 63.81 1tl6 h ILE 11 Cb 0.04 2.11 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1tl6 h ILE 11 CO -0.11 0.62 -0.68 0.40 0.00 0.00 0.00 178.15 178.38 1tl6 h ILE 12 N 0.12 1.33 0.58 -0.67 2.04 -0.84 -2.14 117.51 117.94 1tl6 h ILE 12 Ca -0.01 -1.98 -0.03 0.00 1.00 0.00 0.00 64.86 63.84 1tl6 h ILE 12 Cb 1.16 1.95 0.01 0.00 -0.74 0.00 0.00 36.82 39.20 1tl6 h ILE 12 CO 0.10 0.61 -0.28 0.74 0.00 0.00 0.00 178.15 179.32 1tl6 h THR 13 N 0.40 0.28 0.00 -0.27 2.02 -0.77 -0.50 112.91 114.08 1tl6 h THR 13 Ca -0.02 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 1tl6 h THR 13 Cb 1.26 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1tl6 h THR 13 CO 0.13 0.04 -0.12 -0.37 0.37 0.00 0.00 175.52 175.56 1tl6 h VAL 14 N -1.04 1.07 0.00 3.16 -1.51 -1.34 -0.98 116.25 115.61 1tl6 h VAL 14 Ca -0.08 -0.42 -0.07 0.00 -1.23 0.00 0.00 66.70 64.90 1tl6 h VAL 14 Cb 0.66 1.23 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 1tl6 h VAL 14 CO 0.13 0.12 -0.33 0.00 -1.23 0.00 0.00 177.57 176.26 1tl6 h ALA 15 N 1.88 0.84 -0.30 5.19 0.00 -1.36 -2.53 119.26 122.97 1tl6 h ALA 15 Ca -0.00 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 1tl6 h ALA 15 Cb 0.22 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1tl6 h ALA 15 CO 0.02 0.41 -0.48 0.77 0.00 0.00 0.00 179.25 179.96 1tl6 h SER 16 N 0.00 0.95 0.19 0.00 0.02 0.17 -2.70 113.55 112.18 1tl6 h SER 16 Ca -0.00 -0.52 0.01 0.00 -0.84 0.00 0.00 61.79 60.44 1tl6 h SER 16 Cb 1.11 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 1tl6 h SER 16 CO 0.04 1.28 -0.22 0.40 -1.14 0.00 0.00 176.83 177.20 1tl6 h ILE 17 N 0.65 0.52 -0.45 3.27 2.04 -1.23 0.11 117.51 122.42 1tl6 h ILE 17 Ca 0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.93 1tl6 h ILE 17 Cb 1.09 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 1tl6 h ILE 17 CO 0.11 0.00 -0.26 -0.11 0.00 0.00 0.00 178.15 177.89 1tl6 n LEU 18 N -5.34 -0.48 0.08 1.44 -0.00 -0.96 -3.27 117.00 108.48 1tl6 n LEU 18 Ca -0.08 1.19 -0.08 0.00 -0.00 0.00 0.00 56.01 57.04 1tl6 n LEU 18 Cb 0.26 -0.30 -0.04 0.00 -0.00 0.00 0.00 43.42 43.34 1tl6 n LEU 18 CO 0.29 -0.85 0.21 0.16 -0.00 0.00 0.00 177.39 177.20 1tl6 h ILE 19 N 0.00 1.58 0.00 1.96 3.07 -1.33 -2.58 117.51 120.20 1tl6 h ILE 19 Ca 0.07 -2.92 0.00 0.00 1.55 0.00 0.00 64.86 63.57 1tl6 h ILE 19 Cb 0.18 2.63 0.00 0.00 -0.27 0.00 0.00 36.82 39.36 1tl6 h ILE 19 CO -0.42 0.84 0.00 1.17 -1.05 0.00 0.00 178.15 178.69 1tl6 n LYS 20 N -3.54 0.00 -0.33 0.16 3.00 0.01 -4.13 118.16 113.33 1tl6 n LYS 20 Ca -0.02 0.53 0.08 0.00 -0.00 0.00 0.00 58.31 58.90 1tl6 n LYS 20 Cb 0.86 -1.27 0.22 0.00 0.00 0.00 0.00 35.03 34.83 1tl6 n LYS 20 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 1tl6 n PHE 21 N -1.71 0.69 0.00 5.64 1.16 -1.23 -4.84 117.46 117.17 1tl6 n PHE 21 Ca 0.00 -0.84 0.00 0.00 -1.87 0.00 0.00 57.45 54.74 1tl6 n PHE 21 Cb 0.00 -0.24 0.00 0.00 -1.61 0.00 0.00 39.48 37.63 1tl6 n PHE 21 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 1tl6 n SER 22 N -0.54 0.00 -3.67 5.98 7.64 -1.14 -5.10 113.62 116.79 1tl6 n SER 22 Ca 0.18 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.89 1tl6 n SER 22 Cb 0.77 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.01 0.28 1.43 1.81 -0.99 -4.98 118.95 116.51 1tl6 s ARG 23 Ca 0.00 0.53 0.23 0.00 -1.72 0.00 0.00 55.73 54.76 1tl6 s ARG 23 Cb 0.00 -0.32 0.11 0.00 -0.45 0.00 0.00 34.95 34.29 1tl6 s ARG 23 CO 0.00 -0.31 1.22 0.93 -0.68 0.00 0.00 175.30 176.46 1tl6 h GLU 24 N 8.38 0.00 -0.04 3.54 3.07 -1.83 -3.36 114.58 124.34 1tl6 h GLU 24 Ca -0.13 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.74 1tl6 h GLU 24 Cb 1.12 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1tl6 h GLU 24 CO 0.14 0.00 0.03 0.22 -1.40 0.00 0.00 179.01 178.00 1tl6 h ASP 25 N 0.00 0.00 0.65 1.42 3.58 -1.94 0.92 116.42 121.04 1tl6 h ASP 25 Ca 0.00 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 1tl6 h ASP 25 Cb 1.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.03 1tl6 h ASP 25 CO 0.00 0.00 -0.72 0.40 -2.88 0.00 0.00 179.24 176.04 1tl6 h ILE 26 N 0.00 1.49 0.00 2.25 1.08 -1.91 -2.93 117.51 117.50 1tl6 h ILE 26 Ca 0.02 -2.40 -0.09 0.00 -0.39 0.00 0.00 64.86 62.00 1tl6 h ILE 26 Cb 0.07 2.29 -0.01 0.00 -3.07 0.00 0.00 36.82 36.10 1tl6 h ILE 26 CO -0.00 0.69 -0.42 1.62 -0.69 0.00 0.00 178.15 179.35 1tl6 h VAL 27 N 0.04 0.90 0.00 1.67 3.04 -1.06 -2.33 116.25 118.51 1tl6 h VAL 27 Ca -0.01 -1.74 0.00 0.00 -1.01 0.00 0.00 66.70 63.94 1tl6 h VAL 27 Cb 1.27 2.07 0.00 0.00 -2.01 0.00 0.00 31.29 32.62 1tl6 h VAL 27 CO 0.10 0.42 0.00 -0.62 -1.01 0.00 0.00 177.57 176.45 1tl6 n GLU 28 N -3.46 0.72 -3.54 4.17 1.02 -1.10 -3.91 120.64 114.55 1tl6 n GLU 28 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 1tl6 n GLU 28 Cb 0.57 -1.43 -0.14 0.00 -0.02 0.00 0.00 31.44 30.42 1tl6 n GLU 28 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1tl6 s ASN 29 N -1.90 3.44 0.34 1.62 3.84 -1.11 -5.03 114.94 116.14 1tl6 s ASN 29 Ca 0.30 -1.58 0.26 0.00 0.21 0.00 0.00 52.86 52.05 1tl6 s ASN 29 Cb 0.14 -0.42 1.16 0.00 -0.55 0.00 0.00 41.25 41.57 1tl6 s ASN 29 CO 0.23 -0.40 1.79 0.08 -2.79 0.00 0.00 177.10 176.00 1tl6 h ARG 30 N 7.99 0.00 0.03 0.43 0.11 -1.75 -0.73 114.38 120.47 1tl6 h ARG 30 Ca -0.12 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.70 1tl6 h ARG 30 Cb 1.00 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.10 1tl6 h ARG 30 CO 0.40 0.00 -1.01 0.00 0.10 0.00 0.00 179.97 179.45 1tl6 h ALA 31 N 2.16 0.08 0.21 0.08 0.00 -1.93 -2.69 119.26 117.17 1tl6 h ALA 31 Ca 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 1tl6 h ALA 31 Cb 0.31 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1tl6 h ALA 31 CO 0.00 0.62 -0.10 -0.91 0.00 0.00 0.00 179.25 178.86 1tl6 h ASN 32 N 0.26 -0.24 -0.90 0.00 -0.26 -1.44 -2.11 115.58 110.90 1tl6 h ASN 32 Ca -0.14 -0.15 0.22 0.00 -0.56 0.00 0.00 56.30 55.68 1tl6 h ASN 32 Cb 1.69 0.06 -0.17 0.00 -1.06 0.00 0.00 38.32 38.84 1tl6 h ASN 32 CO 0.20 0.01 -0.07 0.33 -1.06 0.00 0.00 177.43 176.85 1tl6 n PHE 33 N -5.12 0.49 0.11 1.19 7.35 -0.47 -0.82 117.46 120.19 1tl6 n PHE 33 Ca -0.09 1.08 -0.19 0.00 -0.76 0.00 0.00 57.45 57.50 1tl6 n PHE 33 Cb 0.21 -1.12 -0.15 0.00 0.35 0.00 0.00 39.48 38.77 1tl6 n PHE 33 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1tl6 h ILE 34 N 0.00 1.39 -0.29 -2.13 2.04 -1.45 -2.11 117.51 114.97 1tl6 h ILE 34 Ca 0.50 -2.93 -0.16 0.00 1.00 0.00 0.00 64.86 63.28 1tl6 h ILE 34 Cb 0.96 2.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.99 1tl6 h ILE 34 CO -0.87 0.86 -0.45 0.00 0.00 0.00 0.00 178.15 177.69 1tl6 h ALA 35 N 0.44 0.65 -0.40 1.87 0.00 -0.68 -0.50 119.26 120.63 1tl6 h ALA 35 Ca -0.18 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.29 1tl6 h ALA 35 Cb 2.04 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.69 1tl6 h ALA 35 CO 0.22 0.67 0.18 0.74 0.00 0.00 0.00 179.25 181.06 1tl6 h PHE 36 N 0.60 0.32 0.00 0.00 -1.00 -1.00 -2.60 116.94 113.26 1tl6 h PHE 36 Ca 0.04 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.83 1tl6 h PHE 36 Cb 1.02 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.49 1tl6 h PHE 36 CO 0.05 0.15 0.00 1.47 -1.61 0.00 0.00 178.31 178.38 1tl6 n LEU 37 N -4.96 0.01 0.07 1.54 -0.00 -0.79 -2.69 117.00 110.18 1tl6 n LEU 37 Ca 0.02 0.50 -0.13 0.00 -0.00 0.00 0.00 56.01 56.40 1tl6 n LEU 37 Cb 0.12 -0.50 -0.05 0.00 -0.00 0.00 0.00 43.42 42.99 1tl6 n LEU 37 CO 0.29 -0.20 0.16 0.78 -0.00 0.00 0.00 177.39 178.42 1tl6 h ASN 38 N 0.00 0.51 -0.96 1.45 2.35 -0.70 -3.07 115.58 115.15 1tl6 h ASN 38 Ca 0.00 -0.42 0.31 0.00 -0.55 0.00 0.00 56.30 55.64 1tl6 h ASN 38 Cb 0.30 -0.16 -0.16 0.00 0.05 0.00 0.00 38.32 38.35 1tl6 h ASN 38 CO 0.00 1.23 0.33 -0.08 -1.65 0.00 0.00 177.43 177.25 1tl6 h GLU 39 N 0.21 0.12 -0.99 0.81 4.22 -1.45 -2.20 114.58 115.30 1tl6 h GLU 39 Ca -0.08 -0.01 0.26 0.00 0.08 0.00 0.00 59.36 59.61 1tl6 h GLU 39 Cb 1.61 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.77 1tl6 h GLU 39 CO 0.17 0.08 0.67 0.82 -2.18 0.00 0.00 179.01 178.57 1tl6 h ILE 40 N 0.13 0.56 0.00 2.32 2.04 -1.65 -3.45 117.51 117.45 1tl6 h ILE 40 Ca 0.68 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 66.45 1tl6 h ILE 40 Cb 1.55 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1tl6 h ILE 40 CO -0.74 0.05 0.00 0.61 0.00 0.00 0.00 178.15 178.06 1tl6 n GLY 41 N -1.59 1.59 3.47 5.37 0.00 -0.83 -5.09 105.19 108.11 1tl6 n GLY 41 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 4.56 -0.02 1.61 1.01 -1.22 -5.01 120.40 119.32 1tl6 s VAL 42 Ca 0.00 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 61.80 1tl6 s VAL 42 Cb 0.00 -4.50 -0.01 0.00 0.00 0.00 0.00 36.38 31.87 1tl6 s VAL 42 CO 0.00 -1.12 -0.20 0.42 0.00 0.00 0.00 175.10 174.21 1tl6 s THR 43 N 3.47 1.60 0.00 3.92 -4.23 -1.26 -3.97 115.64 115.16 1tl6 s THR 43 Ca 0.22 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 1tl6 s THR 43 Cb -0.17 -1.34 0.00 0.00 1.34 0.00 0.00 72.50 72.33 1tl6 s THR 43 CO 0.13 0.45 0.00 0.00 -0.54 0.00 0.00 174.62 174.67 1tl6 n HIS 44 N 2.73 0.00 -1.61 3.99 1.44 0.04 -4.91 115.22 116.89 1tl6 n HIS 44 Ca -0.16 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.34 1tl6 n HIS 44 Cb 0.53 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.54 1tl6 n HIS 44 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1tl6 n GLU 45 N 0.00 0.54 0.00 -1.40 4.71 -1.26 -3.77 120.64 119.46 1tl6 n GLU 45 Ca 0.00 -1.87 0.00 0.00 -0.01 0.00 0.00 57.16 55.28 1tl6 n GLU 45 Cb 0.00 -3.75 0.00 0.00 -1.01 0.00 0.00 31.44 26.68 1tl6 n GLU 45 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1tl6 n GLY 46 N 5.90 1.87 3.71 0.62 0.00 -1.26 -4.94 105.19 111.08 1tl6 n GLY 46 Ca 0.43 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 1tl6 n GLY 46 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1tl6 s ARG 47 N 0.00 2.14 0.73 1.61 3.52 -1.25 -5.04 118.95 120.67 1tl6 s ARG 47 Ca 0.00 -1.97 -0.11 0.00 -0.13 0.00 0.00 55.73 53.52 1tl6 s ARG 47 Cb 0.00 -1.85 0.03 0.00 -1.56 0.00 0.00 34.95 31.57 1tl6 s ARG 47 CO 0.00 -0.13 1.09 0.15 -0.81 0.00 0.00 175.30 175.60 1tl6 s LYS 48 N -3.86 2.62 -0.16 5.12 -0.14 -1.26 -0.78 119.74 121.28 1tl6 s LYS 48 Ca 0.37 0.57 -0.16 0.00 -1.36 0.00 0.00 55.97 55.38 1tl6 s LYS 48 Cb 0.05 -1.99 -0.04 0.00 -1.68 0.00 0.00 37.83 34.18 1tl6 s LYS 48 CO 0.20 -1.23 0.40 -1.17 -0.76 0.00 0.00 175.35 172.79 1tl6 s LEU 49 N -5.51 4.22 0.48 3.17 2.96 -1.25 -4.74 118.68 118.00 1tl6 s LEU 49 Ca 0.59 0.62 -0.05 0.00 -0.22 0.00 0.00 54.13 55.07 1tl6 s LEU 49 Cb -0.12 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.99 1tl6 s LEU 49 CO 0.53 0.00 0.78 0.20 -1.32 0.00 0.00 176.35 176.54 1tl6 s ASN 50 N 0.72 6.25 0.00 3.68 -0.87 -1.26 -4.92 114.94 118.54 1tl6 s ASN 50 Ca 0.21 0.90 0.26 0.00 -1.57 0.00 0.00 52.86 52.65 1tl6 s ASN 50 Cb -0.14 -2.22 0.59 0.00 -0.02 0.00 0.00 41.25 39.46 1tl6 s ASN 50 CO 0.07 -0.58 1.47 0.00 -2.57 0.00 0.00 177.10 175.49 1tl6 n GLN 51 N -2.25 1.10 0.00 -0.60 -0.00 -1.26 -3.99 117.38 110.39 1tl6 n GLN 51 Ca 0.00 -0.74 0.06 0.00 -0.00 0.00 0.00 57.00 56.33 1tl6 n GLN 51 Cb 0.55 -1.48 -0.04 0.00 -0.00 0.00 0.00 30.24 29.27 1tl6 n GLN 51 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1tl6 n ASN 52 N -0.30 1.03 -0.96 2.61 6.94 -1.26 -4.64 115.26 118.68 1tl6 n ASN 52 Ca 0.12 -1.01 0.04 0.00 -0.02 0.00 0.00 54.58 53.72 1tl6 n ASN 52 Cb 0.39 0.75 0.18 0.00 -2.36 0.00 0.00 39.78 38.74 1tl6 n ASN 52 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1tl6 n SER 53 N -0.77 2.73 -0.25 0.53 3.41 -1.26 -4.06 113.62 113.96 1tl6 n SER 53 Ca 0.04 -2.26 -0.02 0.00 -0.26 0.00 0.00 58.87 56.37 1tl6 n SER 53 Cb 0.25 -0.44 0.04 0.00 -0.26 0.00 0.00 64.21 63.80 1tl6 n SER 53 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1tl6 h PHE 54 N 2.02 -0.74 -0.96 7.33 -5.15 -1.86 -2.56 116.94 115.03 1tl6 h PHE 54 Ca 0.00 0.07 0.30 0.00 -0.20 0.00 0.00 57.97 58.14 1tl6 h PHE 54 Cb 0.91 0.43 -0.16 0.00 0.22 0.00 0.00 35.95 37.35 1tl6 h PHE 54 CO 0.41 -0.36 0.36 0.07 -2.00 0.00 0.00 178.31 176.79 1tl6 h ARG 55 N -0.08 0.17 0.00 6.09 0.11 -1.98 -1.46 114.38 117.23 1tl6 h ARG 55 Ca 0.30 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.37 1tl6 h ARG 55 Cb 0.56 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.60 1tl6 h ARG 55 CO -0.75 0.11 -1.20 1.63 0.10 0.00 0.00 179.97 179.86 1tl6 n LYS 56 N -5.22 0.37 0.02 0.08 5.02 -1.05 -2.87 118.16 114.51 1tl6 n LYS 56 Ca 0.28 -0.02 -0.12 0.00 -2.02 0.00 0.00 58.31 56.43 1tl6 n LYS 56 Cb 0.90 -1.60 -0.09 0.00 -0.02 0.00 0.00 35.03 34.22 1tl6 n LYS 56 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1tl6 h ILE 57 N 0.00 1.13 -0.58 -0.18 2.04 -0.99 -3.33 117.51 115.60 1tl6 h ILE 57 Ca 0.00 -1.29 -0.06 0.00 1.00 0.00 0.00 64.86 64.51 1tl6 h ILE 57 Cb 0.79 1.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.74 1tl6 h ILE 57 CO 0.00 0.29 0.13 1.62 0.00 0.00 0.00 178.15 180.20 1tl6 h VAL 58 N -0.77 1.24 -0.75 1.67 3.04 -1.42 -2.35 116.25 116.91 1tl6 h VAL 58 Ca -0.01 -0.87 0.22 0.00 -1.01 0.00 0.00 66.70 65.02 1tl6 h VAL 58 Cb 0.57 0.65 -0.03 0.00 -2.01 0.00 0.00 31.29 30.47 1tl6 h VAL 58 CO 0.02 0.33 0.64 -1.28 -1.01 0.00 0.00 177.57 176.27 1tl6 h SER 59 N 0.87 0.00 0.00 3.17 0.87 -1.66 -2.73 113.55 114.07 1tl6 h SER 59 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1tl6 h SER 59 Cb 0.33 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1tl6 h SER 59 CO 0.00 0.00 -1.51 -0.62 -0.53 0.00 0.00 176.83 174.17 1tl6 n GLU 60 N -3.95 0.67 -1.82 2.24 1.02 -0.89 -4.78 120.64 113.13 1tl6 n GLU 60 Ca 0.15 -0.11 -0.38 0.00 -0.02 0.00 0.00 57.16 56.81 1tl6 n GLU 60 Cb 0.91 -1.43 -0.03 0.00 -0.02 0.00 0.00 31.44 30.87 1tl6 n GLU 60 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1tl6 s LEU 61 N -3.79 3.35 0.00 -4.62 1.43 -1.03 -4.95 118.68 109.07 1tl6 s LEU 61 Ca -0.02 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1tl6 s LEU 61 Cb 0.13 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.77 1tl6 s LEU 61 CO 0.79 -2.57 0.00 0.35 0.23 0.00 0.00 176.35 175.15 1tl6 n THR 62 N 7.58 0.00 -0.10 5.49 -2.24 -1.26 -4.84 114.28 118.91 1tl6 n THR 62 Ca 0.28 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.92 1tl6 n THR 62 Cb 0.53 -1.79 -0.03 0.00 -2.10 0.00 0.00 70.33 66.93 1tl6 n THR 62 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1tl6 h GLN 63 N 0.00 0.91 -0.74 -0.78 4.20 -1.98 -2.03 115.11 114.68 1tl6 h GLN 63 Ca 0.00 -0.54 0.08 0.00 0.06 0.00 0.00 58.65 58.26 1tl6 h GLN 63 Cb 0.00 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 27.73 1tl6 h GLN 63 CO 0.00 1.18 -0.39 -1.91 -0.67 0.00 0.00 178.83 177.04 1tl6 n GLU 64 N -4.03 -0.28 -0.03 1.46 2.13 -1.26 -1.06 120.64 117.57 1tl6 n GLU 64 Ca -0.03 1.13 -0.11 0.00 0.66 0.00 0.00 57.16 58.80 1tl6 n GLU 64 Cb 0.59 -1.66 -0.06 0.00 0.27 0.00 0.00 31.44 30.58 1tl6 n GLU 64 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1tl6 h ASP 65 N 0.00 0.19 -0.22 4.31 5.19 -1.89 -2.17 116.42 121.83 1tl6 h ASP 65 Ca 0.17 -0.20 0.05 0.00 -0.62 0.00 0.00 57.03 56.43 1tl6 h ASP 65 Cb 0.35 -0.05 -0.07 0.00 0.18 0.00 0.00 39.33 39.74 1tl6 h ASP 65 CO -0.71 0.34 -0.39 0.50 -3.12 0.00 0.00 179.24 175.85 1tl6 h LYS 66 N 0.03 -0.40 -0.47 3.56 3.64 -1.27 -1.49 116.57 120.17 1tl6 h LYS 66 Ca 0.04 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1tl6 h LYS 66 Cb 0.22 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1tl6 h LYS 66 CO -0.00 -0.27 0.27 -0.22 -2.27 0.00 0.00 179.45 176.97 1tl6 h LYS 67 N -0.41 0.53 -0.62 1.90 1.63 -0.93 -2.77 116.57 115.89 1tl6 h LYS 67 Ca 0.10 -0.03 0.09 0.00 -0.85 0.00 0.00 60.65 59.97 1tl6 h LYS 67 Cb 0.59 -0.12 -0.07 0.00 -0.60 0.00 0.00 32.23 32.03 1tl6 h LYS 67 CO -0.44 0.35 0.24 1.15 -3.45 0.00 0.00 179.45 177.30 1tl6 h THR 68 N 0.55 0.77 0.30 1.00 2.02 -1.24 -1.64 112.91 114.68 1tl6 h THR 68 Ca 0.19 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 1tl6 h THR 68 Cb 0.02 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 1tl6 h THR 68 CO -0.09 0.08 -0.24 0.25 0.37 0.00 0.00 175.52 175.88 1tl6 h LEU 69 N 0.43 -0.65 -0.09 2.58 5.85 -0.99 -2.92 115.31 119.51 1tl6 h LEU 69 Ca 0.31 0.05 0.01 0.00 0.84 0.00 0.00 57.88 59.10 1tl6 h LEU 69 Cb 0.38 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1tl6 h LEU 69 CO -0.30 -0.34 -0.23 0.40 -0.34 0.00 0.00 178.44 177.62 1tl6 h ILE 70 N -0.53 0.00 0.06 4.05 1.08 -1.54 -2.91 117.51 117.72 1tl6 h ILE 70 Ca -0.04 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1tl6 h ILE 70 Cb 0.44 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.20 1tl6 h ILE 70 CO 0.00 0.00 -0.03 -0.78 -0.69 0.00 0.00 178.15 176.65 1tl6 h ASP 71 N -0.22 -0.07 -0.05 1.72 3.58 -1.44 -3.31 116.42 116.62 1tl6 h ASP 71 Ca 0.02 -0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.31 1tl6 h ASP 71 Cb 0.28 0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.35 1tl6 h ASP 71 CO -0.20 0.01 -0.35 -0.33 -2.88 0.00 0.00 179.24 175.49 1tl6 h GLU 72 N -0.15 0.32 -2.81 0.28 5.08 -1.59 -3.40 114.58 112.32 1tl6 h GLU 72 Ca -0.01 -0.28 -0.61 0.00 -1.00 0.00 0.00 59.36 57.46 1tl6 h GLU 72 Cb 0.13 0.06 -0.41 0.00 0.50 0.00 0.00 28.75 29.03 1tl6 h GLU 72 CO 0.01 0.94 -0.70 1.19 -1.00 0.00 0.00 179.01 179.45 1tl6 n PHE 73 N -4.41 2.03 -0.36 4.33 3.72 -1.10 -4.93 117.46 116.75 1tl6 n PHE 73 Ca -0.09 -4.01 -0.02 0.00 -0.05 0.00 0.00 57.45 53.28 1tl6 n PHE 73 Cb 0.52 -0.37 0.11 0.00 -0.94 0.00 0.00 39.48 38.81 1tl6 n PHE 73 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1tl6 h ASN 74 N 5.35 1.14 -0.38 4.37 4.21 -1.79 -3.32 115.58 125.16 1tl6 h ASN 74 Ca 0.18 -0.05 0.05 0.00 1.21 0.00 0.00 56.30 57.69 1tl6 h ASN 74 Cb 0.79 -0.29 -0.04 0.00 -1.12 0.00 0.00 38.32 37.66 1tl6 h ASN 74 CO 0.62 0.85 0.12 1.05 -1.29 0.00 0.00 177.43 178.78 1tl6 h GLU 75 N 1.32 0.26 -0.06 0.81 4.11 -1.92 -1.37 114.58 117.73 1tl6 h GLU 75 Ca 0.35 -0.02 -0.19 0.00 0.07 0.00 0.00 59.36 59.57 1tl6 h GLU 75 Cb -0.10 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1tl6 h GLU 75 CO -0.07 0.17 -0.78 0.78 0.07 0.00 0.00 179.01 179.18 1tl6 h GLY 76 N 0.27 0.46 0.88 1.06 0.00 -1.99 -2.89 103.07 100.86 1tl6 h GLY 76 Ca 0.17 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 1tl6 h GLY 76 CO -0.19 0.61 0.07 -2.75 0.00 0.00 0.00 176.54 174.28 1tl6 h PHE 77 N 0.27 0.42 -0.80 5.60 3.57 -1.63 -0.48 116.94 123.89 1tl6 h PHE 77 Ca -0.04 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.44 1tl6 h PHE 77 Cb 1.37 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.95 1tl6 h PHE 77 CO 0.05 0.47 0.53 1.49 -2.23 0.00 0.00 178.31 178.61 1tl6 h GLU 78 N 0.24 0.98 0.00 1.11 4.57 -1.27 -0.20 114.58 120.01 1tl6 h GLU 78 Ca 0.08 -0.06 -0.14 0.00 -1.18 0.00 0.00 59.36 58.07 1tl6 h GLU 78 Cb 0.25 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1tl6 h GLU 78 CO -0.00 0.65 -0.83 0.78 -1.18 0.00 0.00 179.01 178.42 1tl6 h GLY 79 N 1.00 0.00 1.73 1.92 0.00 -1.40 -3.17 103.07 103.16 1tl6 h GLY 79 Ca 0.31 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.39 1tl6 h GLY 79 CO -0.09 0.00 -1.18 -0.24 0.00 0.00 0.00 176.54 175.03 1tl6 h VAL 80 N 0.00 1.53 -0.74 4.60 3.04 -0.67 -2.73 116.25 121.28 1tl6 h VAL 80 Ca -0.05 -3.19 -0.02 0.00 -1.01 0.00 0.00 66.70 62.42 1tl6 h VAL 80 Cb 1.49 2.85 -0.03 0.00 -2.01 0.00 0.00 31.29 33.59 1tl6 h VAL 80 CO 0.07 0.90 0.38 0.22 -1.01 0.00 0.00 177.57 178.14 1tl6 h TYR 81 N 0.03 1.05 -0.53 3.17 5.03 -1.10 0.39 116.97 125.02 1tl6 h TYR 81 Ca -0.09 -0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.16 1tl6 h TYR 81 Cb 1.88 -0.33 -0.02 0.00 1.55 0.00 0.00 36.73 39.81 1tl6 h TYR 81 CO 0.03 0.75 0.27 -0.09 -1.32 0.00 0.00 178.16 177.80 1tl6 h ARG 82 N 1.04 0.74 -0.10 1.82 9.65 -1.59 -2.42 114.38 123.52 1tl6 h ARG 82 Ca 0.26 -0.10 -0.10 0.00 -1.10 0.00 0.00 59.98 58.94 1tl6 h ARG 82 Cb 0.08 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 1tl6 h ARG 82 CO -0.04 0.60 -0.40 -0.92 2.80 0.00 0.00 179.97 182.01 1tl6 h TYR 83 N 0.70 0.25 -0.46 2.20 5.03 -1.17 -3.12 116.97 120.41 1tl6 h TYR 83 Ca 0.18 -0.06 -0.14 0.00 2.58 0.00 0.00 58.73 61.29 1tl6 h TYR 83 Cb 0.08 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.29 1tl6 h TYR 83 CO -0.01 0.58 -0.25 1.25 -1.32 0.00 0.00 178.16 178.42 1tl6 h LEU 84 N 0.18 1.00 -0.22 2.82 5.85 -0.05 -1.24 115.31 123.66 1tl6 h LEU 84 Ca 0.02 -0.39 -0.07 0.00 0.84 0.00 0.00 57.88 58.27 1tl6 h LEU 84 Cb 0.78 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 1tl6 h LEU 84 CO 0.06 1.19 -0.14 -0.33 -0.34 0.00 0.00 178.44 178.88 1tl6 h GLU 85 N 0.83 0.48 0.18 1.25 4.39 -1.46 -0.04 114.58 120.20 1tl6 h GLU 85 Ca 0.10 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.58 1tl6 h GLU 85 Cb 0.83 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 1tl6 h GLU 85 CO 0.07 0.78 -0.22 1.98 -1.16 0.00 0.00 179.01 180.46 1tl6 h MET 86 N 0.18 -0.44 -0.00 2.33 4.05 -1.55 -3.38 114.93 116.12 1tl6 h MET 86 Ca 0.04 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 1tl6 h MET 86 Cb 0.65 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.55 1tl6 h MET 86 CO 0.04 -0.29 -0.30 0.66 0.23 0.00 0.00 176.91 177.25 1tl6 n TYR 87 N -5.35 0.00 0.00 1.39 4.01 -0.47 -5.04 117.16 111.70 1tl6 n TYR 87 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1tl6 n TYR 87 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 1tl6 n TYR 87 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1tl6 n THR 88 N -1.07 0.00 -3.53 -0.72 5.66 -0.03 -4.75 114.28 109.84 1tl6 n THR 88 Ca 0.01 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.65 1tl6 n THR 88 Cb 0.11 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.81 1tl6 n THR 88 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1tl6 s ASN 89 N 0.00 6.35 0.00 1.09 0.01 -1.26 -4.96 114.94 116.17 1tl6 s ASN 89 Ca 0.00 0.40 0.19 0.00 -0.71 0.00 0.00 52.86 52.74 1tl6 s ASN 89 Cb 0.00 -2.17 1.12 0.00 0.41 0.00 0.00 41.25 40.61 1tl6 s ASN 89 CO 0.00 0.04 1.51 1.17 -1.51 0.00 0.00 177.10 178.32