#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tl6 s LYS 3 N 0.00 4.09 0.39 3.52 2.47 -1.26 -4.96 119.74 123.99 1tl6 s LYS 3 Ca 0.00 0.80 0.05 0.00 -1.56 0.00 0.00 55.97 55.26 1tl6 s LYS 3 Cb 0.00 -2.43 0.78 0.00 -1.46 0.00 0.00 37.83 34.72 1tl6 s LYS 3 CO 0.00 0.14 2.04 -0.91 0.16 0.00 0.00 175.35 176.78 1tl6 h ASN 4 N 2.32 0.57 0.84 1.43 4.21 -1.97 0.58 115.58 123.55 1tl6 h ASN 4 Ca -0.48 -0.01 -0.04 0.00 1.21 0.00 0.00 56.30 56.97 1tl6 h ASN 4 Cb 1.18 -0.14 0.01 0.00 -1.12 0.00 0.00 38.32 38.25 1tl6 h ASN 4 CO 0.64 0.41 -0.40 0.40 -1.29 0.00 0.00 177.43 177.19 1tl6 h ILE 5 N 0.67 0.00 -0.65 2.81 2.04 -1.94 -0.25 117.51 120.20 1tl6 h ILE 5 Ca 0.19 -0.06 0.12 0.00 1.00 0.00 0.00 64.86 66.11 1tl6 h ILE 5 Cb -0.05 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 35.91 1tl6 h ILE 5 CO -0.04 0.00 -0.26 -0.78 0.00 0.00 0.00 178.15 177.06 1tl6 h ASP 6 N -1.19 -0.93 -0.75 1.72 3.58 -1.97 0.40 116.42 117.28 1tl6 h ASP 6 Ca -0.12 0.22 0.14 0.00 0.42 0.00 0.00 57.03 57.70 1tl6 h ASP 6 Cb 0.87 0.51 -0.10 0.00 1.72 0.00 0.00 39.33 42.33 1tl6 h ASP 6 CO 0.19 -0.27 0.29 0.74 -2.88 0.00 0.00 179.24 177.31 1tl6 h THR 7 N -0.09 0.65 0.09 2.25 2.02 -0.74 -0.33 112.91 116.77 1tl6 h THR 7 Ca 0.28 -0.15 -0.27 0.00 0.77 0.00 0.00 66.41 67.04 1tl6 h THR 7 Cb 0.54 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1tl6 h THR 7 CO -0.70 0.08 -1.32 0.58 0.37 0.00 0.00 175.52 174.53 1tl6 h VAL 8 N 0.43 1.39 -0.47 3.16 2.07 -0.78 -2.99 116.25 119.06 1tl6 h VAL 8 Ca 0.41 -3.03 0.05 0.00 0.82 0.00 0.00 66.70 64.96 1tl6 h VAL 8 Cb 0.62 2.83 -0.05 0.00 -1.52 0.00 0.00 31.29 33.17 1tl6 h VAL 8 CO -0.41 0.86 0.19 -0.09 0.02 0.00 0.00 177.57 178.14 1tl6 h ARG 9 N 0.05 0.37 -0.16 1.57 2.43 0.29 -1.31 114.38 117.62 1tl6 h ARG 9 Ca -0.15 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1tl6 h ARG 9 Cb 1.95 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 31.38 1tl6 h ARG 9 CO 0.17 0.24 -0.05 0.93 -1.51 0.00 0.00 179.97 179.75 1tl6 h GLU 10 N 0.38 -0.02 -0.09 0.20 4.39 -1.16 -1.58 114.58 116.71 1tl6 h GLU 10 Ca 0.22 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.96 1tl6 h GLU 10 Cb 0.19 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.79 1tl6 h GLU 10 CO -0.20 -0.01 -0.21 0.82 -1.16 0.00 0.00 179.01 178.25 1tl6 h ILE 11 N -0.02 0.48 -0.76 3.13 2.04 -1.29 -1.16 117.51 119.92 1tl6 h ILE 11 Ca 0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.98 1tl6 h ILE 11 Cb 0.14 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 1tl6 h ILE 11 CO -0.18 0.00 0.48 0.40 0.00 0.00 0.00 178.15 178.85 1tl6 h ILE 12 N -0.29 1.09 0.49 -0.67 2.04 -1.20 0.55 117.51 119.52 1tl6 h ILE 12 Ca 0.09 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1tl6 h ILE 12 Cb 0.42 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1tl6 h ILE 12 CO -0.26 0.17 -0.23 0.74 0.00 0.00 0.00 178.15 178.57 1tl6 h THR 13 N 0.92 0.52 -0.34 -0.27 2.02 -0.91 -1.74 112.91 113.11 1tl6 h THR 13 Ca 0.31 -0.03 -0.13 0.00 0.77 0.00 0.00 66.41 67.34 1tl6 h THR 13 Cb 0.05 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1tl6 h THR 13 CO -0.13 0.00 -0.28 0.58 0.37 0.00 0.00 175.52 176.07 1tl6 h VAL 14 N -0.67 1.29 -0.08 3.16 2.07 -1.08 -2.39 116.25 118.54 1tl6 h VAL 14 Ca -0.07 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.03 1tl6 h VAL 14 Cb 0.51 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1tl6 h VAL 14 CO 0.11 0.47 0.07 0.00 0.02 0.00 0.00 177.57 178.24 1tl6 h ALA 15 N 0.75 1.97 0.21 1.67 0.00 -0.90 0.05 119.26 123.01 1tl6 h ALA 15 Ca 0.06 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.64 1tl6 h ALA 15 Cb 0.86 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.68 1tl6 h ALA 15 CO 0.07 -0.11 -1.53 0.77 0.00 0.00 0.00 179.25 178.46 1tl6 h SER 16 N 0.00 0.69 -0.90 0.00 0.02 -1.10 -3.14 113.55 109.13 1tl6 h SER 16 Ca 0.04 -0.82 0.01 0.00 -0.84 0.00 0.00 61.79 60.18 1tl6 h SER 16 Cb 0.17 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1tl6 h SER 16 CO -0.00 1.66 0.59 0.40 -1.14 0.00 0.00 176.83 178.34 1tl6 h ILE 17 N 0.12 1.23 -0.63 3.27 2.04 -1.00 0.31 117.51 122.86 1tl6 h ILE 17 Ca -0.26 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.23 1tl6 h ILE 17 Cb 2.11 -0.08 -0.09 0.00 -0.74 0.00 0.00 36.82 38.02 1tl6 h ILE 17 CO 0.23 0.23 -0.53 0.25 0.00 0.00 0.00 178.15 178.32 1tl6 h LEU 18 N 1.22 -1.86 0.00 1.44 6.46 -1.10 -3.37 115.31 118.10 1tl6 h LEU 18 Ca 0.33 0.26 -0.06 0.00 -0.12 0.00 0.00 57.88 58.29 1tl6 h LEU 18 Cb -0.13 0.79 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 1tl6 h LEU 18 CO -0.07 -0.30 -0.35 0.16 -0.62 0.00 0.00 178.44 177.25 1tl6 h ILE 19 N -0.21 1.18 0.00 4.05 3.07 -1.42 -3.15 117.51 121.03 1tl6 h ILE 19 Ca 0.10 -2.01 0.00 0.00 1.55 0.00 0.00 64.86 64.50 1tl6 h ILE 19 Cb 0.48 2.35 0.00 0.00 -0.27 0.00 0.00 36.82 39.38 1tl6 h ILE 19 CO -0.70 0.40 0.00 1.17 -1.05 0.00 0.00 178.15 177.97 1tl6 n LYS 20 N -4.59 0.00 -0.61 0.16 4.81 0.07 -2.38 118.16 115.61 1tl6 n LYS 20 Ca -0.14 0.18 0.08 0.00 -0.87 0.00 0.00 58.31 57.56 1tl6 n LYS 20 Cb 0.44 -0.40 0.32 0.00 0.02 0.00 0.00 35.03 35.41 1tl6 n LYS 20 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1tl6 n PHE 21 N -0.58 1.41 0.00 5.64 7.35 -1.26 -4.76 117.46 125.26 1tl6 n PHE 21 Ca 0.00 -0.73 0.00 0.00 -0.76 0.00 0.00 57.45 55.96 1tl6 n PHE 21 Cb 0.00 -0.34 0.00 0.00 0.35 0.00 0.00 39.48 39.49 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 0.36 0.00 -3.53 -2.13 7.64 -1.00 -5.10 113.62 109.85 1tl6 n SER 22 Ca 0.24 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.89 1tl6 n SER 22 Cb 0.95 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 64.01 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 -0.40 0.16 0.16 1.43 1.81 -1.03 -4.95 118.95 116.13 1tl6 s ARG 23 Ca 0.00 -0.06 0.18 0.00 -1.72 0.00 0.00 55.73 54.13 1tl6 s ARG 23 Cb 0.00 -1.37 -0.04 0.00 -0.45 0.00 0.00 34.95 33.09 1tl6 s ARG 23 CO 0.00 -0.76 1.04 1.49 -0.68 0.00 0.00 175.30 176.39 1tl6 h GLU 24 N 8.36 0.00 0.00 3.54 4.81 -1.88 -3.21 114.58 126.20 1tl6 h GLU 24 Ca -0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1tl6 h GLU 24 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1tl6 h GLU 24 CO 0.32 0.25 0.01 -0.40 -0.73 0.00 0.00 179.01 178.46 1tl6 n ASP 25 N -2.92 0.00 -0.10 1.04 5.75 -1.26 -2.08 116.55 116.98 1tl6 n ASP 25 Ca -0.04 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.58 1tl6 n ASP 25 Cb 0.74 -0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.77 1tl6 n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1tl6 n ILE 26 N -0.56 1.49 0.28 2.12 2.08 -1.21 -4.68 119.36 118.88 1tl6 n ILE 26 Ca 0.00 -0.04 0.16 0.00 0.56 0.00 0.00 62.75 63.43 1tl6 n ILE 26 Cb 0.01 -2.17 0.83 0.00 -0.75 0.00 0.00 39.64 37.56 1tl6 n ILE 26 CO 0.00 0.00 0.00 -0.37 0.56 0.00 0.00 176.55 176.74 1tl6 h VAL 27 N -0.97 0.00 -1.09 1.39 -1.51 -1.63 -2.34 116.25 110.10 1tl6 h VAL 27 Ca -0.24 0.00 0.31 0.00 -1.23 0.00 0.00 66.70 65.54 1tl6 h VAL 27 Cb 1.19 0.68 -0.05 0.00 -2.13 0.00 0.00 31.29 30.98 1tl6 h VAL 27 CO -0.14 0.00 0.78 1.05 -1.23 0.00 0.00 177.57 178.02 1tl6 h GLU 28 N 0.00 0.01 -3.39 5.19 -0.00 -1.78 -3.35 114.58 111.27 1tl6 h GLU 28 Ca 0.00 -0.00 -0.50 0.00 -0.00 0.00 0.00 59.36 58.86 1tl6 h GLU 28 Cb 0.35 -0.00 -0.40 0.00 -0.00 0.00 0.00 28.75 28.70 1tl6 h GLU 28 CO 0.00 0.01 -0.76 1.21 -0.00 0.00 0.00 179.01 179.47 1tl6 s ASN 29 N -5.32 2.79 0.43 3.06 3.84 -0.88 -5.07 114.94 113.79 1tl6 s ASN 29 Ca -0.05 -0.79 0.17 0.00 0.21 0.00 0.00 52.86 52.40 1tl6 s ASN 29 Cb 0.23 -0.50 0.97 0.00 -0.55 0.00 0.00 41.25 41.40 1tl6 s ASN 29 CO 0.80 -0.32 1.92 0.03 -2.79 0.00 0.00 177.10 176.73 1tl6 h ARG 30 N 8.29 0.00 -0.72 0.43 3.08 -1.79 -2.72 114.38 120.95 1tl6 h ARG 30 Ca -0.16 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.94 1tl6 h ARG 30 Cb 1.12 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.13 1tl6 h ARG 30 CO 0.33 0.26 0.47 0.00 -1.07 0.00 0.00 179.97 179.97 1tl6 h ALA 31 N 1.74 1.65 0.30 0.04 0.00 -1.95 -1.77 119.26 119.26 1tl6 h ALA 31 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1tl6 h ALA 31 Cb 0.52 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1tl6 h ALA 31 CO 0.03 0.26 -0.14 -0.91 0.00 0.00 0.00 179.25 178.49 1tl6 h ASN 32 N 0.81 -0.34 -0.62 0.00 2.35 -1.78 -2.24 115.58 113.75 1tl6 h ASN 32 Ca 0.30 -0.12 0.10 0.00 -0.55 0.00 0.00 56.30 56.03 1tl6 h ASN 32 Cb 0.16 0.09 -0.11 0.00 0.05 0.00 0.00 38.32 38.50 1tl6 h ASN 32 CO -0.09 -0.07 -0.37 0.15 -1.65 0.00 0.00 177.43 175.40 1tl6 h PHE 33 N -0.62 -1.06 0.05 1.19 3.57 -1.39 0.65 116.94 119.34 1tl6 h PHE 33 Ca -0.04 0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1tl6 h PHE 33 Cb 0.44 0.55 -0.04 0.00 2.79 0.00 0.00 35.95 39.70 1tl6 h PHE 33 CO -0.00 -0.40 -0.23 0.82 -2.23 0.00 0.00 178.31 176.27 1tl6 h ILE 34 N -0.17 0.47 0.00 1.41 2.04 -1.37 -1.05 117.51 118.84 1tl6 h ILE 34 Ca 0.22 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.01 1tl6 h ILE 34 Cb 0.56 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1tl6 h ILE 34 CO -0.71 0.00 -0.34 0.00 0.00 0.00 0.00 178.15 177.10 1tl6 h ALA 35 N 0.43 1.35 0.00 1.87 0.00 -0.99 0.90 119.26 122.82 1tl6 h ALA 35 Ca 0.05 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 1tl6 h ALA 35 Cb 0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1tl6 h ALA 35 CO -0.18 0.42 -0.78 0.35 0.00 0.00 0.00 179.25 179.07 1tl6 h PHE 36 N 0.00 0.00 0.00 0.00 3.57 -0.64 -2.77 116.94 117.10 1tl6 h PHE 36 Ca -0.00 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1tl6 h PHE 36 Cb 0.63 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1tl6 h PHE 36 CO 0.00 0.70 -0.57 1.37 -2.23 0.00 0.00 178.31 177.58 1tl6 h LEU 37 N 0.00 0.00 -0.65 0.59 8.10 -0.84 -3.31 115.31 119.20 1tl6 h LEU 37 Ca -0.03 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.83 1tl6 h LEU 37 Cb 1.56 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.77 1tl6 h LEU 37 CO 0.09 0.36 -0.46 0.78 -4.11 0.00 0.00 178.44 175.09 1tl6 h ASN 38 N 0.00 0.54 -0.71 0.17 -0.26 -0.68 -2.96 115.58 111.69 1tl6 h ASN 38 Ca -0.03 -0.26 0.21 0.00 -0.56 0.00 0.00 56.30 55.67 1tl6 h ASN 38 Cb 1.29 -0.15 -0.13 0.00 -1.06 0.00 0.00 38.32 38.27 1tl6 h ASN 38 CO 0.04 0.92 0.08 1.21 -1.06 0.00 0.00 177.43 178.63 1tl6 n GLU 39 N -4.00 -0.05 -0.29 0.81 2.13 -1.06 -0.92 120.64 117.27 1tl6 n GLU 39 Ca -0.02 1.04 0.25 0.00 0.66 0.00 0.00 57.16 59.09 1tl6 n GLU 39 Cb 0.55 -1.69 0.57 0.00 0.27 0.00 0.00 31.44 31.14 1tl6 n GLU 39 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1tl6 h ILE 40 N 0.00 0.54 0.00 6.31 1.08 -1.68 -3.45 117.51 120.31 1tl6 h ILE 40 Ca 0.46 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.83 1tl6 h ILE 40 Cb 1.02 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 35.00 1tl6 h ILE 40 CO -0.64 0.05 0.00 0.61 -0.69 0.00 0.00 178.15 177.48 1tl6 n GLY 41 N -1.56 1.56 3.55 5.37 0.00 -0.10 -5.06 105.19 108.95 1tl6 n GLY 41 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 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 3.65 0.06 1.61 1.01 -1.20 -4.95 120.40 118.58 1tl6 s VAL 42 Ca 0.00 0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.22 1tl6 s VAL 42 Cb 0.00 -4.67 -0.03 0.00 0.00 0.00 0.00 36.38 31.68 1tl6 s VAL 42 CO 0.00 -1.60 -0.24 0.42 0.00 0.00 0.00 175.10 173.68 1tl6 s THR 43 N 6.63 1.94 0.00 3.92 -4.23 -1.26 -4.74 115.64 117.90 1tl6 s THR 43 Ca 0.46 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1tl6 s THR 43 Cb -0.08 -1.68 0.00 0.00 1.34 0.00 0.00 72.50 72.08 1tl6 s THR 43 CO 0.12 0.24 0.00 0.00 -0.54 0.00 0.00 174.62 174.44 1tl6 n HIS 44 N 1.66 0.00 -3.31 3.99 1.44 -1.26 -4.97 115.22 112.77 1tl6 n HIS 44 Ca -0.17 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.14 1tl6 n HIS 44 Cb 0.53 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.61 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 3.51 0.00 -1.40 4.71 -1.26 -4.63 120.64 121.57 1tl6 n GLU 45 Ca 0.00 -4.53 0.00 0.00 -0.01 0.00 0.00 57.16 52.62 1tl6 n GLU 45 Cb 0.00 -2.46 0.00 0.00 -1.01 0.00 0.00 31.44 27.97 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 1.82 2.88 3.10 0.62 0.00 -1.26 -4.98 105.19 107.36 1tl6 n GLY 46 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.05 0.63 0.75 1.61 3.52 -1.26 -5.14 118.95 119.00 1tl6 s ARG 47 Ca 0.00 -0.90 -0.11 0.00 -0.13 0.00 0.00 55.73 54.59 1tl6 s ARG 47 Cb 0.00 -0.33 0.04 0.00 -1.56 0.00 0.00 34.95 33.10 1tl6 s ARG 47 CO 0.00 0.05 1.08 0.15 -0.81 0.00 0.00 175.30 175.77 1tl6 s LYS 48 N -2.07 2.47 -0.17 5.12 -0.14 -1.26 -3.98 119.74 119.71 1tl6 s LYS 48 Ca -0.04 0.88 -0.24 0.00 -1.36 0.00 0.00 55.97 55.20 1tl6 s LYS 48 Cb -0.07 -1.94 -0.02 0.00 -1.68 0.00 0.00 37.83 34.12 1tl6 s LYS 48 CO -0.00 -1.41 0.77 -1.17 -0.76 0.00 0.00 175.35 172.78 1tl6 s LEU 49 N -5.71 4.18 -0.01 3.17 1.98 -1.26 -5.00 118.68 116.03 1tl6 s LEU 49 Ca 0.60 1.10 0.01 0.00 -2.89 0.00 0.00 54.13 52.94 1tl6 s LEU 49 Cb -0.15 -3.14 -0.04 0.00 0.66 0.00 0.00 46.19 43.52 1tl6 s LEU 49 CO 0.55 -0.34 0.03 0.20 -1.89 0.00 0.00 176.35 174.90 1tl6 s ASN 50 N 1.14 5.33 0.38 3.68 0.01 -1.26 -4.76 114.94 119.46 1tl6 s ASN 50 Ca 0.36 0.06 0.17 0.00 -0.71 0.00 0.00 52.86 52.74 1tl6 s ASN 50 Cb -0.16 -1.45 0.74 0.00 0.41 0.00 0.00 41.25 40.78 1tl6 s ASN 50 CO 0.12 0.28 1.78 0.06 -1.51 0.00 0.00 177.10 177.83 1tl6 h GLN 51 N 4.28 0.00 0.00 -0.60 3.07 -1.96 -1.70 115.11 118.20 1tl6 h GLN 51 Ca -0.49 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.25 1tl6 h GLN 51 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.74 1tl6 h GLN 51 CO 0.59 0.38 -0.01 -0.97 0.09 0.00 0.00 178.83 178.91 1tl6 h ASN 52 N 0.00 0.00 0.00 0.06 -1.24 -2.03 -3.07 115.58 109.30 1tl6 h ASN 52 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1tl6 h ASN 52 Cb 0.80 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.85 1tl6 h ASN 52 CO 0.05 0.01 0.00 -1.20 -1.29 0.00 0.00 177.43 174.99 1tl6 n SER 53 N -3.18 0.00 0.06 1.15 7.64 -0.64 -3.19 113.62 115.46 1tl6 n SER 53 Ca -0.02 -1.45 0.07 0.00 1.01 0.00 0.00 58.87 58.47 1tl6 n SER 53 Cb 0.11 0.00 0.50 0.00 -1.01 0.00 0.00 64.21 63.81 1tl6 n SER 53 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 1tl6 h PHE 54 N 0.00 0.35 -0.85 1.43 -0.00 -1.78 -2.27 116.94 113.82 1tl6 h PHE 54 Ca 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 57.97 57.95 1tl6 h PHE 54 Cb 0.00 -0.12 -0.04 0.00 -0.00 0.00 0.00 35.95 35.79 1tl6 h PHE 54 CO 0.00 0.21 0.43 0.07 -0.00 0.00 0.00 178.31 179.02 1tl6 h ARG 55 N 0.37 1.20 -0.45 6.09 0.11 -1.86 -2.29 114.38 117.54 1tl6 h ARG 55 Ca 0.13 -0.16 -0.05 0.00 0.10 0.00 0.00 59.98 60.01 1tl6 h ARG 55 Cb 0.09 -0.23 -0.02 0.00 1.11 0.00 0.00 29.97 30.92 1tl6 h ARG 55 CO -0.03 0.90 0.07 0.87 0.10 0.00 0.00 179.97 181.89 1tl6 h LYS 56 N 1.20 0.69 0.45 0.08 1.79 -1.66 -2.91 116.57 116.21 1tl6 h LYS 56 Ca 0.29 -0.14 -0.02 0.00 -2.18 0.00 0.00 60.65 58.60 1tl6 h LYS 56 Cb 0.08 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1tl6 h LYS 56 CO -0.04 0.65 -0.31 0.82 -1.08 0.00 0.00 179.45 179.50 1tl6 h ILE 57 N 0.66 0.00 0.00 1.86 1.08 -1.13 -3.35 117.51 116.64 1tl6 h ILE 57 Ca 0.15 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.55 1tl6 h ILE 57 Cb 0.30 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.04 1tl6 h ILE 57 CO 0.00 0.00 -0.33 0.58 -0.69 0.00 0.00 178.15 177.72 1tl6 h VAL 58 N -0.72 0.64 -0.08 1.67 2.07 -1.23 -2.66 116.25 115.94 1tl6 h VAL 58 Ca -0.06 -1.60 -0.22 0.00 0.82 0.00 0.00 66.70 65.63 1tl6 h VAL 58 Cb 0.58 2.09 0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1tl6 h VAL 58 CO 0.04 0.32 -0.85 0.77 0.02 0.00 0.00 177.57 177.87 1tl6 h SER 59 N 0.00 0.74 -0.20 0.57 4.64 -1.70 -3.21 113.55 114.39 1tl6 h SER 59 Ca -0.00 -0.53 -0.09 0.00 -0.47 0.00 0.00 61.79 60.70 1tl6 h SER 59 Cb 1.06 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 1tl6 h SER 59 CO 0.04 1.31 -0.16 -0.33 -0.87 0.00 0.00 176.83 176.82 1tl6 h GLU 60 N 0.39 0.61 -6.61 4.77 3.07 -1.61 -3.42 114.58 111.79 1tl6 h GLU 60 Ca -0.07 -0.21 -0.53 0.00 -0.50 0.00 0.00 59.36 58.06 1tl6 h GLU 60 Cb 1.47 -0.05 0.03 0.00 -0.84 0.00 0.00 28.75 29.36 1tl6 h GLU 60 CO 0.16 0.75 0.70 -0.51 -1.40 0.00 0.00 179.01 178.71 1tl6 s LEU 61 N -8.87 4.39 0.00 1.33 1.43 -1.12 -5.04 118.68 110.80 1tl6 s LEU 61 Ca -0.08 2.37 0.08 0.00 -1.03 0.00 0.00 54.13 55.47 1tl6 s LEU 61 Cb 0.14 -3.60 0.08 0.00 0.03 0.00 0.00 46.19 42.84 1tl6 s LEU 61 CO 0.80 -0.61 0.64 0.41 0.23 0.00 0.00 176.35 177.82 1tl6 n THR 62 N 3.36 0.00 -0.35 5.49 -1.04 -1.26 -4.88 114.28 115.60 1tl6 n THR 62 Ca 0.09 -1.84 0.08 0.00 -2.04 0.00 0.00 64.05 60.35 1tl6 n THR 62 Cb 0.42 -0.42 0.25 0.00 -1.82 0.00 0.00 70.33 68.76 1tl6 n THR 62 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1tl6 h GLN 63 N 0.00 0.89 -0.26 -2.82 4.15 -1.97 0.44 115.11 115.55 1tl6 h GLN 63 Ca -0.27 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.16 1tl6 h GLN 63 Cb 1.15 -0.20 -0.07 0.00 0.21 0.00 0.00 27.48 28.57 1tl6 h GLN 63 CO 0.39 0.59 -0.27 0.93 -1.93 0.00 0.00 178.83 178.55 1tl6 h GLU 64 N 0.92 -0.26 -0.14 1.69 5.08 -1.99 -2.52 114.58 117.37 1tl6 h GLU 64 Ca 0.51 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.82 1tl6 h GLU 64 Cb 0.57 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1tl6 h GLU 64 CO -0.29 -0.17 -0.17 -0.44 -1.00 0.00 0.00 179.01 176.93 1tl6 h ASP 65 N -0.27 0.39 -0.67 1.42 5.19 -1.84 0.35 116.42 121.00 1tl6 h ASP 65 Ca 0.14 -0.51 0.12 0.00 -0.62 0.00 0.00 57.03 56.16 1tl6 h ASP 65 Cb 0.49 -0.11 -0.12 0.00 0.18 0.00 0.00 39.33 39.76 1tl6 h ASP 65 CO -0.41 0.82 -0.32 0.50 -3.12 0.00 0.00 179.24 176.70 1tl6 h LYS 66 N -0.03 -0.12 -0.15 3.56 3.11 -0.87 -1.19 116.57 120.89 1tl6 h LYS 66 Ca 0.02 0.01 -0.21 0.00 -2.81 0.00 0.00 60.65 57.65 1tl6 h LYS 66 Cb 0.72 0.03 0.01 0.00 -1.00 0.00 0.00 32.23 31.98 1tl6 h LYS 66 CO 0.04 -0.08 -0.75 -0.22 -2.81 0.00 0.00 179.45 175.64 1tl6 h LYS 67 N -0.12 0.73 -0.57 1.90 3.11 -1.44 -3.15 116.57 117.03 1tl6 h LYS 67 Ca 0.26 -0.58 0.09 0.00 -2.81 0.00 0.00 60.65 57.61 1tl6 h LYS 67 Cb 0.56 0.12 -0.07 0.00 -1.00 0.00 0.00 32.23 31.83 1tl6 h LYS 67 CO -0.74 1.19 0.20 1.15 -2.81 0.00 0.00 179.45 178.45 1tl6 h THR 68 N 0.50 0.78 0.00 1.00 2.02 0.27 0.24 112.91 117.73 1tl6 h THR 68 Ca -0.04 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 1tl6 h THR 68 Cb 1.36 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1tl6 h THR 68 CO 0.15 0.07 -0.70 0.17 0.37 0.00 0.00 175.52 175.58 1tl6 h LEU 69 N 0.38 0.00 0.27 2.58 8.10 -1.50 0.31 115.31 125.45 1tl6 h LEU 69 Ca 0.28 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.26 1tl6 h LEU 69 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.56 1tl6 h LEU 69 CO -0.29 0.20 -0.13 0.40 -4.11 0.00 0.00 178.44 174.51 1tl6 h ILE 70 N 0.00 0.78 -0.19 0.15 2.04 -1.39 -3.24 117.51 115.66 1tl6 h ILE 70 Ca -0.03 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.53 1tl6 h ILE 70 Cb 1.18 0.98 -0.07 0.00 -0.74 0.00 0.00 36.82 38.17 1tl6 h ILE 70 CO 0.02 0.07 -0.48 -0.78 0.00 0.00 0.00 178.15 176.99 1tl6 h ASP 71 N -0.54 -1.53 -0.38 1.72 1.82 -0.45 -2.73 116.42 114.33 1tl6 h ASP 71 Ca -0.04 0.20 -0.06 0.00 -0.39 0.00 0.00 57.03 56.74 1tl6 h ASP 71 Cb 0.40 0.62 -0.02 0.00 0.68 0.00 0.00 39.33 41.00 1tl6 h ASP 71 CO 0.06 -0.44 0.05 -0.33 -1.61 0.00 0.00 179.24 176.97 1tl6 h GLU 72 N -0.50 0.73 -2.73 0.28 5.08 -1.06 -3.33 114.58 113.05 1tl6 h GLU 72 Ca 0.07 -0.16 -0.60 0.00 -1.00 0.00 0.00 59.36 57.66 1tl6 h GLU 72 Cb 0.64 -0.10 -0.40 0.00 0.50 0.00 0.00 28.75 29.40 1tl6 h GLU 72 CO -0.45 0.70 -0.80 -0.59 -1.00 0.00 0.00 179.01 176.87 1tl6 s PHE 73 N -5.07 1.93 0.17 4.33 -0.71 -1.22 -4.98 117.98 112.42 1tl6 s PHE 73 Ca -0.09 -2.56 -0.12 0.00 -1.04 0.00 0.00 56.93 53.12 1tl6 s PHE 73 Cb 0.15 -1.63 0.08 0.00 -1.21 0.00 0.00 43.02 40.41 1tl6 s PHE 73 CO 0.79 -0.74 1.76 -0.91 -1.34 0.00 0.00 175.22 174.78 1tl6 h ASN 74 N 5.97 0.77 0.63 1.98 -0.26 -1.60 -2.08 115.58 120.98 1tl6 h ASN 74 Ca 0.15 -0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1tl6 h ASN 74 Cb 0.88 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.94 1tl6 h ASN 74 CO 0.48 0.69 0.00 -1.84 -1.06 0.00 0.00 177.43 175.70 1tl6 n GLU 75 N -4.53 0.18 0.10 0.81 0.28 -1.26 -2.32 120.64 113.91 1tl6 n GLU 75 Ca 0.04 0.45 -0.12 0.00 -0.16 0.00 0.00 57.16 57.36 1tl6 n GLU 75 Cb 0.12 -1.88 -0.08 0.00 1.43 0.00 0.00 31.44 31.04 1tl6 n GLU 75 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1tl6 h GLY 76 N 1.96 -0.31 0.37 -1.84 0.00 -1.74 -3.05 103.07 98.45 1tl6 h GLY 76 Ca 0.00 0.12 0.09 0.00 0.00 0.00 0.00 47.33 47.54 1tl6 h GLY 76 CO 0.00 -0.11 0.17 -2.75 0.00 0.00 0.00 176.54 173.85 1tl6 h PHE 77 N -0.74 0.29 -0.15 5.60 3.57 -1.49 -2.52 116.94 121.50 1tl6 h PHE 77 Ca -0.03 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1tl6 h PHE 77 Cb 0.50 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 1tl6 h PHE 77 CO 0.05 0.05 -0.14 1.49 -2.23 0.00 0.00 178.31 177.53 1tl6 h GLU 78 N 0.33 -0.16 0.00 1.11 4.57 -1.50 0.31 114.58 119.24 1tl6 h GLU 78 Ca 0.28 0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.31 1tl6 h GLU 78 Cb 0.36 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 1tl6 h GLU 78 CO -0.32 -0.11 -0.77 0.78 -1.18 0.00 0.00 179.01 177.42 1tl6 h GLY 79 N -0.16 0.00 1.02 1.92 0.00 -1.45 0.12 103.07 104.52 1tl6 h GLY 79 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.22 1tl6 h GLY 79 CO -0.25 0.00 -0.81 -0.24 0.00 0.00 0.00 176.54 175.24 1tl6 h VAL 80 N 0.00 1.34 -0.48 4.60 3.04 -1.35 -2.03 116.25 121.37 1tl6 h VAL 80 Ca -0.01 -2.13 -0.10 0.00 -1.01 0.00 0.00 66.70 63.45 1tl6 h VAL 80 Cb 1.45 2.42 -0.02 0.00 -2.01 0.00 0.00 31.29 33.13 1tl6 h VAL 80 CO 0.10 0.64 -0.09 0.22 -1.01 0.00 0.00 177.57 177.43 1tl6 h TYR 81 N 0.20 1.01 -0.10 3.17 3.20 -0.38 0.19 116.97 124.27 1tl6 h TYR 81 Ca -0.10 -0.21 0.04 0.00 3.14 0.00 0.00 58.73 61.60 1tl6 h TYR 81 Cb 1.49 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.46 1tl6 h TYR 81 CO 0.12 0.98 -0.15 -0.09 -1.64 0.00 0.00 178.16 177.38 1tl6 h ARG 82 N 0.76 -0.19 -0.36 1.82 2.43 -1.03 -0.09 114.38 117.71 1tl6 h ARG 82 Ca 0.12 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 1tl6 h ARG 82 Cb 0.63 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1tl6 h ARG 82 CO 0.04 -0.13 -0.08 -0.92 -1.51 0.00 0.00 179.97 177.38 1tl6 h TYR 83 N -0.20 0.77 -0.91 2.20 5.03 -1.32 -2.07 116.97 120.47 1tl6 h TYR 83 Ca 0.08 -0.16 0.12 0.00 2.58 0.00 0.00 58.73 61.35 1tl6 h TYR 83 Cb 0.31 -0.19 -0.08 0.00 1.55 0.00 0.00 36.73 38.32 1tl6 h TYR 83 CO -0.25 0.84 0.54 1.25 -1.32 0.00 0.00 178.16 179.22 1tl6 h LEU 84 N 0.48 0.77 -0.47 2.82 5.85 -0.80 0.80 115.31 124.75 1tl6 h LEU 84 Ca 0.09 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1tl6 h LEU 84 Cb 0.58 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1tl6 h LEU 84 CO 0.03 0.40 0.19 -0.08 -0.34 0.00 0.00 178.44 178.65 1tl6 h GLU 85 N 0.85 0.70 0.72 1.25 4.57 -0.91 -3.26 114.58 118.51 1tl6 h GLU 85 Ca 0.46 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.48 1tl6 h GLU 85 Cb 0.49 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1tl6 h GLU 85 CO -0.28 0.63 -0.35 0.52 -1.18 0.00 0.00 179.01 178.35 1tl6 h MET 86 N 0.62 -0.94 0.00 1.92 2.86 -0.55 -3.43 114.93 115.42 1tl6 h MET 86 Ca 0.16 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1tl6 h MET 86 Cb 0.18 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1tl6 h MET 86 CO -0.01 -0.63 0.00 2.48 1.06 0.00 0.00 176.91 179.81 1tl6 n TYR 87 N -4.68 0.00 -3.64 -0.22 4.11 0.17 -4.99 117.16 107.92 1tl6 n TYR 87 Ca -0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.70 1tl6 n TYR 87 Cb 0.38 -0.32 -0.07 0.00 -0.00 0.00 0.00 39.34 39.33 1tl6 n TYR 87 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 1tl6 s THR 88 N -0.97 -0.00 0.12 -3.48 -1.32 -1.23 -5.09 115.64 103.66 1tl6 s THR 88 Ca 0.00 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.55 1tl6 s THR 88 Cb 0.00 -0.98 -0.04 0.00 -1.51 0.00 0.00 72.50 69.97 1tl6 s THR 88 CO 0.00 0.00 -0.07 0.54 -2.21 0.00 0.00 174.62 172.89 1tl6 s ASN 89 N 1.57 4.56 0.00 8.08 2.20 -1.26 -4.91 114.94 125.17 1tl6 s ASN 89 Ca -0.09 -0.36 0.00 0.00 -0.94 0.00 0.00 52.86 51.46 1tl6 s ASN 89 Cb -0.05 -0.92 0.00 0.00 -2.00 0.00 0.00 41.25 38.28 1tl6 s ASN 89 CO -0.19 0.16 0.00 2.29 -2.94 0.00 0.00 177.10 176.42