#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 4.03 0.14 3.52 1.02 -1.26 -4.86 119.74 122.33 1tl6 s LYS 3 Ca 0.00 -2.32 -0.18 0.00 0.02 0.00 0.00 55.97 53.50 1tl6 s LYS 3 Cb 0.00 -5.23 0.05 0.00 -0.52 0.00 0.00 37.83 32.13 1tl6 s LYS 3 CO 0.00 -1.95 1.10 0.09 -0.92 0.00 0.00 175.35 173.67 1tl6 n ASN 4 N 6.72 -0.62 -0.29 2.83 3.02 -1.26 -0.15 115.26 125.50 1tl6 n ASN 4 Ca 0.40 1.25 -0.03 0.00 -0.03 0.00 0.00 54.58 56.17 1tl6 n ASN 4 Cb 0.44 -0.22 -0.01 0.00 -0.61 0.00 0.00 39.78 39.39 1tl6 n ASN 4 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1tl6 n ILE 5 N -4.96 -0.42 0.24 2.41 5.41 -1.26 -1.80 119.36 118.99 1tl6 n ILE 5 Ca 0.04 1.71 0.10 0.00 1.00 0.00 0.00 62.75 65.60 1tl6 n ILE 5 Cb 0.23 -2.21 0.59 0.00 -0.71 0.00 0.00 39.64 37.54 1tl6 n ILE 5 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1tl6 h ASP 6 N 0.00 0.00 -0.05 4.38 3.58 -0.95 0.35 116.42 123.73 1tl6 h ASP 6 Ca 0.20 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.49 1tl6 h ASP 6 Cb 0.38 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.45 1tl6 h ASP 6 CO -0.70 0.19 -0.60 0.74 -2.88 0.00 0.00 179.24 175.99 1tl6 h THR 7 N 0.00 1.38 0.50 2.25 2.02 -0.45 -2.31 112.91 116.30 1tl6 h THR 7 Ca -0.00 -1.97 -0.02 0.00 0.77 0.00 0.00 66.41 65.18 1tl6 h THR 7 Cb 0.51 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 1tl6 h THR 7 CO 0.02 0.59 -0.24 0.58 0.37 0.00 0.00 175.52 176.84 1tl6 h VAL 8 N 0.07 0.00 -0.39 3.16 2.07 -1.07 -3.01 116.25 117.08 1tl6 h VAL 8 Ca -0.06 -0.36 0.11 0.00 0.82 0.00 0.00 66.70 67.22 1tl6 h VAL 8 Cb 1.27 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1tl6 h VAL 8 CO 0.12 0.00 0.33 0.08 0.02 0.00 0.00 177.57 178.12 1tl6 h ARG 9 N -1.02 0.00 -0.48 1.57 -0.00 -0.44 0.83 114.38 114.83 1tl6 h ARG 9 Ca -0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 59.85 1tl6 h ARG 9 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.46 1tl6 h ARG 9 CO 0.11 0.00 0.07 0.93 -0.00 0.00 0.00 179.97 181.08 1tl6 h GLU 10 N 0.00 0.80 0.00 0.08 5.08 -1.49 -2.37 114.58 116.68 1tl6 h GLU 10 Ca 0.19 -0.22 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 1tl6 h GLU 10 Cb 0.84 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1tl6 h GLU 10 CO -0.00 0.81 -0.72 0.82 -1.00 0.00 0.00 179.01 178.92 1tl6 h ILE 11 N 0.67 1.47 -0.63 3.13 2.04 -0.75 -1.83 117.51 121.61 1tl6 h ILE 11 Ca 0.15 -2.50 -0.06 0.00 1.00 0.00 0.00 64.86 63.44 1tl6 h ILE 11 Cb 0.40 2.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.82 1tl6 h ILE 11 CO 0.01 0.71 0.15 0.40 0.00 0.00 0.00 178.15 179.42 1tl6 h ILE 12 N 0.00 1.25 0.51 -0.67 2.04 -1.23 -2.99 117.51 116.43 1tl6 h ILE 12 Ca -0.01 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 64.92 1tl6 h ILE 12 Cb 1.31 0.60 0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1tl6 h ILE 12 CO 0.09 0.34 -0.25 0.74 0.00 0.00 0.00 178.15 179.08 1tl6 h THR 13 N 0.95 0.15 -0.36 -0.27 2.02 -0.80 -1.16 112.91 113.44 1tl6 h THR 13 Ca 0.20 -0.50 -0.13 0.00 0.77 0.00 0.00 66.41 66.75 1tl6 h THR 13 Cb 0.34 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1tl6 h THR 13 CO 0.00 0.03 -0.31 0.58 0.37 0.00 0.00 175.52 176.19 1tl6 h VAL 14 N -1.12 1.28 -0.24 3.16 2.07 -1.50 -0.44 116.25 119.46 1tl6 h VAL 14 Ca -0.07 -1.46 0.03 0.00 0.82 0.00 0.00 66.70 66.02 1tl6 h VAL 14 Cb 0.58 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 1tl6 h VAL 14 CO 0.12 0.48 -0.36 0.00 0.02 0.00 0.00 177.57 177.83 1tl6 h ALA 15 N 0.98 -0.63 -0.85 1.67 0.00 -1.63 0.56 119.26 119.36 1tl6 h ALA 15 Ca 0.07 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1tl6 h ALA 15 Cb 0.85 0.96 -0.06 0.00 0.00 0.00 0.00 17.79 19.54 1tl6 h ALA 15 CO 0.07 -0.80 0.54 1.03 0.00 0.00 0.00 179.25 180.09 1tl6 h SER 16 N -0.28 0.86 -0.53 0.00 0.87 -0.78 -1.50 113.55 112.21 1tl6 h SER 16 Ca 0.04 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1tl6 h SER 16 Cb 0.39 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 1tl6 h SER 16 CO -0.37 0.57 0.31 0.40 -0.53 0.00 0.00 176.83 177.21 1tl6 h ILE 17 N 1.01 1.16 0.11 2.23 2.04 -1.05 -0.58 117.51 122.43 1tl6 h ILE 17 Ca 0.36 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1tl6 h ILE 17 Cb 0.10 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1tl6 h ILE 17 CO -0.15 0.17 -0.33 0.25 0.00 0.00 0.00 178.15 178.09 1tl6 h LEU 18 N 0.70 -0.97 -1.12 1.44 7.12 -0.45 -3.21 115.31 118.82 1tl6 h LEU 18 Ca 0.19 0.10 -0.02 0.00 0.13 0.00 0.00 57.88 58.28 1tl6 h LEU 18 Cb -0.00 0.35 -0.00 0.00 -0.53 0.00 0.00 40.66 40.48 1tl6 h LEU 18 CO -0.03 -0.36 -0.10 0.16 -0.13 0.00 0.00 178.44 177.98 1tl6 h ILE 19 N -0.49 0.24 0.12 4.05 3.07 -1.22 -2.87 117.51 120.41 1tl6 h ILE 19 Ca -0.01 -0.85 0.02 0.00 1.55 0.00 0.00 64.86 65.57 1tl6 h ILE 19 Cb 0.48 1.69 -0.04 0.00 -0.27 0.00 0.00 36.82 38.68 1tl6 h ILE 19 CO -0.16 0.10 -0.41 0.50 -1.05 0.00 0.00 178.15 177.13 1tl6 h LYS 20 N 0.00 -0.62 -0.13 0.16 1.63 -1.10 -3.30 116.57 113.21 1tl6 h LYS 20 Ca -0.00 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1tl6 h LYS 20 Cb 0.68 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.46 1tl6 h LYS 20 CO 0.01 -0.42 0.00 1.97 -3.45 0.00 0.00 179.45 177.57 1tl6 n PHE 21 N -5.46 0.45 0.00 1.91 -1.74 -1.24 -4.99 117.46 106.40 1tl6 n PHE 21 Ca -0.07 -0.93 0.00 0.00 -0.56 0.00 0.00 57.45 55.89 1tl6 n PHE 21 Cb 0.38 -0.23 0.00 0.00 1.52 0.00 0.00 39.48 41.15 1tl6 n PHE 21 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 1tl6 n SER 22 N -0.97 0.00 -3.72 5.98 3.41 -1.08 -5.12 113.62 112.12 1tl6 n SER 22 Ca 0.18 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.57 1tl6 n SER 22 Cb 0.75 0.00 -0.18 0.00 -0.26 0.00 0.00 64.21 64.53 1tl6 n SER 22 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1tl6 s ARG 23 N 0.68 0.29 0.41 4.33 6.06 -1.26 -5.01 118.95 124.45 1tl6 s ARG 23 Ca 0.00 0.18 0.17 0.00 -2.50 0.00 0.00 55.73 53.58 1tl6 s ARG 23 Cb 0.00 -0.90 0.90 0.00 0.06 0.00 0.00 34.95 35.01 1tl6 s ARG 23 CO 0.00 -0.36 1.88 0.93 -2.50 0.00 0.00 175.30 175.26 1tl6 h GLU 24 N 8.38 0.00 0.00 5.12 3.07 -1.92 -3.37 114.58 125.86 1tl6 h GLU 24 Ca -0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 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 0.22 0.30 0.00 -0.25 -1.40 0.00 0.00 179.01 177.88 1tl6 n ASP 25 N -3.96 0.00 0.04 1.42 8.00 -1.26 -2.06 116.55 118.73 1tl6 n ASP 25 Ca -0.02 -0.04 -0.12 0.00 0.71 0.00 0.00 54.79 55.32 1tl6 n ASP 25 Cb 0.36 -0.23 -0.14 0.00 -0.02 0.00 0.00 41.12 41.10 1tl6 n ASP 25 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1tl6 h ILE 26 N 0.00 1.25 0.00 0.53 1.08 -1.91 -3.35 117.51 115.11 1tl6 h ILE 26 Ca 0.00 -2.96 0.00 0.00 -0.39 0.00 0.00 64.86 61.51 1tl6 h ILE 26 Cb 0.11 2.71 0.00 0.00 -3.07 0.00 0.00 36.82 36.58 1tl6 h ILE 26 CO 0.00 0.79 -0.92 0.55 -0.69 0.00 0.00 178.15 177.88 1tl6 n VAL 27 N -3.34 0.32 -0.39 1.67 3.14 -0.87 -2.53 118.33 116.33 1tl6 n VAL 27 Ca -0.12 -0.33 -0.10 0.00 -2.96 0.00 0.00 64.34 60.83 1tl6 n VAL 27 Cb 1.02 -0.03 -0.09 0.00 -1.06 0.00 0.00 33.84 33.67 1tl6 n VAL 27 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1tl6 n GLU 28 N -2.18 -0.41 -3.40 1.45 -0.58 -1.19 -2.90 120.64 111.43 1tl6 n GLU 28 Ca 0.02 1.41 -0.44 0.00 -0.42 0.00 0.00 57.16 57.72 1tl6 n GLU 28 Cb 0.47 -2.07 -0.07 0.00 -0.57 0.00 0.00 31.44 29.20 1tl6 n GLU 28 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1tl6 s ASN 29 N -5.46 6.02 0.25 1.62 2.47 -1.25 -4.97 114.94 113.62 1tl6 s ASN 29 Ca -0.11 -1.74 -0.06 0.00 0.42 0.00 0.00 52.86 51.37 1tl6 s ASN 29 Cb 0.10 -2.14 0.26 0.00 -1.45 0.00 0.00 41.25 38.03 1tl6 s ASN 29 CO 0.58 -0.77 1.92 0.08 -3.72 0.00 0.00 177.10 175.19 1tl6 h ARG 30 N 8.72 1.27 -0.11 0.43 0.11 -1.70 -0.53 114.38 122.57 1tl6 h ARG 30 Ca -0.27 -0.08 0.03 0.00 0.10 0.00 0.00 59.98 59.77 1tl6 h ARG 30 Cb 1.09 -0.29 -0.00 0.00 1.11 0.00 0.00 29.97 31.88 1tl6 h ARG 30 CO 0.95 0.84 0.23 0.00 0.10 0.00 0.00 179.97 182.10 1tl6 h ALA 31 N 1.37 1.52 0.00 0.08 0.00 -1.89 0.11 119.26 120.45 1tl6 h ALA 31 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1tl6 h ALA 31 Cb -0.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1tl6 h ALA 31 CO -0.09 -0.29 -0.30 0.09 0.00 0.00 0.00 179.25 178.66 1tl6 n ASN 32 N -3.34 0.32 -0.01 0.00 3.02 -0.21 -2.39 115.26 112.65 1tl6 n ASN 32 Ca 0.00 0.08 -0.17 0.00 -0.03 0.00 0.00 54.58 54.45 1tl6 n ASN 32 Cb 0.33 -0.07 -0.09 0.00 -0.61 0.00 0.00 39.78 39.34 1tl6 n ASN 32 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1tl6 h PHE 33 N 0.00 0.76 -0.87 3.10 3.57 -0.49 -2.04 116.94 120.97 1tl6 h PHE 33 Ca 0.00 -0.37 0.16 0.00 3.53 0.00 0.00 57.97 61.29 1tl6 h PHE 33 Cb 0.52 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 1tl6 h PHE 33 CO 0.00 1.18 0.57 0.82 -2.23 0.00 0.00 178.31 178.65 1tl6 h ILE 34 N 0.13 0.77 -0.24 1.41 2.04 -1.51 -1.62 117.51 118.49 1tl6 h ILE 34 Ca -0.06 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 1tl6 h ILE 34 Cb 1.31 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1tl6 h ILE 34 CO 0.13 0.10 -0.20 0.00 0.00 0.00 0.00 178.15 178.19 1tl6 h ALA 35 N 1.61 0.34 -1.13 1.87 0.00 -1.30 0.30 119.26 120.96 1tl6 h ALA 35 Ca 0.45 -0.35 0.37 0.00 0.00 0.00 0.00 54.91 55.37 1tl6 h ALA 35 Cb 0.89 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.46 1tl6 h ALA 35 CO -0.19 0.28 0.69 0.35 0.00 0.00 0.00 179.25 180.37 1tl6 h PHE 36 N 0.26 0.73 0.23 0.00 3.57 -0.93 -2.46 116.94 118.34 1tl6 h PHE 36 Ca 0.04 0.03 -0.32 0.00 3.53 0.00 0.00 57.97 61.25 1tl6 h PHE 36 Cb 0.74 -0.19 0.03 0.00 2.79 0.00 0.00 35.95 39.32 1tl6 h PHE 36 CO 0.07 -0.19 -1.43 -0.07 -2.23 0.00 0.00 178.31 174.45 1tl6 h LEU 37 N 0.20 0.75 -1.51 0.59 3.38 -0.50 -3.27 115.31 114.95 1tl6 h LEU 37 Ca 0.76 -0.81 0.43 0.00 0.09 0.00 0.00 57.88 58.35 1tl6 h LEU 37 Cb 2.07 -0.24 -0.11 0.00 0.09 0.00 0.00 40.66 42.46 1tl6 h LEU 37 CO -0.52 1.63 0.90 0.78 0.09 0.00 0.00 178.44 181.32 1tl6 h ASN 38 N 0.13 0.22 -1.00 -0.43 -0.26 0.00 -0.43 115.58 113.82 1tl6 h ASN 38 Ca -0.23 0.11 0.21 0.00 -0.56 0.00 0.00 56.30 55.83 1tl6 h ASN 38 Cb 2.13 0.09 -0.10 0.00 -1.06 0.00 0.00 38.32 39.38 1tl6 h ASN 38 CO 0.26 -0.12 0.62 -0.08 -1.06 0.00 0.00 177.43 177.05 1tl6 h GLU 39 N 0.10 0.61 0.16 0.81 4.81 -1.51 -3.03 114.58 116.53 1tl6 h GLU 39 Ca 0.79 -0.04 -0.34 0.00 -0.13 0.00 0.00 59.36 59.65 1tl6 h GLU 39 Cb 2.58 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 31.82 1tl6 h GLU 39 CO -0.33 0.40 -1.73 0.82 -0.73 0.00 0.00 179.01 177.44 1tl6 h ILE 40 N 0.62 0.89 0.00 2.32 2.04 -1.27 -3.49 117.51 118.62 1tl6 h ILE 40 Ca 0.58 -2.45 0.00 0.00 1.00 0.00 0.00 64.86 63.99 1tl6 h ILE 40 Cb 1.09 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.86 1tl6 h ILE 40 CO -0.35 0.83 0.00 0.61 0.00 0.00 0.00 178.15 179.24 1tl6 n GLY 41 N 1.86 0.97 3.51 5.37 0.00 -1.13 -5.09 105.19 110.69 1tl6 n GLY 41 Ca -0.27 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.31 1tl6 n GLY 41 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1tl6 n VAL 42 N 0.00 0.15 -4.32 1.61 0.24 -1.25 -4.98 118.33 109.79 1tl6 n VAL 42 Ca 0.00 -0.40 -0.25 0.00 -2.04 0.00 0.00 64.34 61.65 1tl6 n VAL 42 Cb 0.00 -2.02 -0.13 0.00 -1.47 0.00 0.00 33.84 30.22 1tl6 n VAL 42 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1tl6 s THR 43 N 8.76 1.86 0.00 3.34 -4.23 -1.26 -2.56 115.64 121.55 1tl6 s THR 43 Ca 1.07 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 1tl6 s THR 43 Cb -0.62 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 71.53 1tl6 s THR 43 CO 0.41 -0.04 0.00 0.00 -0.54 0.00 0.00 174.62 174.45 1tl6 n HIS 44 N 0.99 0.00 -0.81 3.99 1.44 0.10 -4.91 115.22 116.02 1tl6 n HIS 44 Ca -0.19 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.28 1tl6 n HIS 44 Cb 0.54 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.63 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 2.24 0.00 -1.40 1.02 -1.26 -3.89 120.64 117.35 1tl6 n GLU 45 Ca 0.00 -1.55 0.00 0.00 -0.02 0.00 0.00 57.16 55.59 1tl6 n GLU 45 Cb 0.00 -2.50 0.00 0.00 -0.02 0.00 0.00 31.44 28.92 1tl6 n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tl6 n GLY 46 N 3.77 2.55 3.71 0.62 0.00 -1.26 -5.07 105.19 109.51 1tl6 n GLY 46 Ca 0.48 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 2.14 0.69 1.61 0.52 -1.25 -5.08 118.95 117.58 1tl6 s ARG 47 Ca 0.00 -2.35 -0.13 0.00 -0.52 0.00 0.00 55.73 52.73 1tl6 s ARG 47 Cb 0.00 -1.39 0.02 0.00 0.52 0.00 0.00 34.95 34.10 1tl6 s ARG 47 CO 0.00 -0.36 1.09 0.15 0.02 0.00 0.00 175.30 176.20 1tl6 s LYS 48 N -3.84 2.69 -0.18 3.54 -0.14 -1.26 0.03 119.74 120.58 1tl6 s LYS 48 Ca 0.10 1.25 -0.21 0.00 -1.36 0.00 0.00 55.97 55.76 1tl6 s LYS 48 Cb 0.02 -1.95 -0.03 0.00 -1.68 0.00 0.00 37.83 34.20 1tl6 s LYS 48 CO 0.06 -1.32 0.61 -1.17 -0.76 0.00 0.00 175.35 172.77 1tl6 s LEU 49 N -5.24 4.18 0.00 3.17 1.98 -1.06 -4.71 118.68 117.00 1tl6 s LEU 49 Ca 0.64 0.86 0.02 0.00 -2.89 0.00 0.00 54.13 52.75 1tl6 s LEU 49 Cb -0.18 -2.88 0.02 0.00 0.66 0.00 0.00 46.19 43.81 1tl6 s LEU 49 CO 0.47 -0.22 0.15 0.59 -1.89 0.00 0.00 176.35 175.45 1tl6 n ASN 50 N 4.75 1.30 0.07 3.68 5.03 -1.26 -4.88 115.26 123.94 1tl6 n ASN 50 Ca -0.02 -1.53 -0.23 0.00 0.87 0.00 0.00 54.58 53.67 1tl6 n ASN 50 Cb 0.50 -0.04 -0.15 0.00 -1.02 0.00 0.00 39.78 39.07 1tl6 n ASN 50 CO 0.00 0.00 0.00 -0.61 -1.83 0.00 0.00 177.26 174.82 1tl6 h GLN 51 N 0.00 0.38 0.00 3.52 4.15 -1.97 -3.32 115.11 117.88 1tl6 h GLN 51 Ca -0.10 -0.65 0.00 0.00 0.77 0.00 0.00 58.65 58.67 1tl6 h GLN 51 Cb 0.37 0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.30 1tl6 h GLN 51 CO 0.15 1.31 0.04 0.09 -1.93 0.00 0.00 178.83 178.48 1tl6 n ASN 52 N -3.71 0.02 0.26 -0.69 4.13 -1.26 -0.98 115.26 113.03 1tl6 n ASN 52 Ca -0.23 0.48 0.18 0.00 1.68 0.00 0.00 54.58 56.68 1tl6 n ASN 52 Cb 1.03 -0.48 0.88 0.00 -1.54 0.00 0.00 39.78 39.67 1tl6 n ASN 52 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1tl6 h SER 53 N 0.00 0.00 -0.46 6.41 0.02 -1.97 -3.38 113.55 114.17 1tl6 h SER 53 Ca 0.00 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1tl6 h SER 53 Cb 0.07 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.51 1tl6 h SER 53 CO 0.00 0.00 -0.38 0.15 -1.14 0.00 0.00 176.83 175.46 1tl6 h PHE 54 N 0.00 -1.09 -0.98 3.45 3.57 -1.29 -1.88 116.94 118.73 1tl6 h PHE 54 Ca 0.00 0.07 0.17 0.00 3.53 0.00 0.00 57.97 61.73 1tl6 h PHE 54 Cb 0.14 0.54 -0.17 0.00 2.79 0.00 0.00 35.95 39.26 1tl6 h PHE 54 CO 0.00 -0.41 -0.34 -0.09 -2.23 0.00 0.00 178.31 175.24 1tl6 h ARG 55 N -0.26 -0.01 -0.57 1.11 2.43 -1.84 -2.43 114.38 112.81 1tl6 h ARG 55 Ca 0.17 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1tl6 h ARG 55 Cb 0.56 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 1tl6 h ARG 55 CO -0.60 -0.00 0.29 -0.22 -1.51 0.00 0.00 179.97 177.93 1tl6 h LYS 56 N -0.01 0.81 -0.09 0.20 1.63 -1.65 -2.19 116.57 115.28 1tl6 h LYS 56 Ca 0.38 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 60.07 1tl6 h LYS 56 Cb 0.63 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1tl6 h LYS 56 CO -0.98 0.65 0.03 0.82 -3.45 0.00 0.00 179.45 176.51 1tl6 h ILE 57 N 0.77 1.17 -0.21 2.00 2.04 -0.90 -3.35 117.51 119.02 1tl6 h ILE 57 Ca 0.20 -0.51 -0.11 0.00 1.00 0.00 0.00 64.86 65.44 1tl6 h ILE 57 Cb 0.09 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1tl6 h ILE 57 CO -0.03 0.15 -0.29 0.58 0.00 0.00 0.00 178.15 178.56 1tl6 h VAL 58 N -0.04 1.33 0.00 1.67 2.07 -1.28 -3.20 116.25 116.79 1tl6 h VAL 58 Ca 0.03 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1tl6 h VAL 58 Cb 0.21 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1tl6 h VAL 58 CO -0.00 0.46 0.36 -0.24 0.02 0.00 0.00 177.57 178.17 1tl6 n SER 59 N -4.34 0.06 -0.04 0.57 2.88 -0.84 -1.28 113.62 110.64 1tl6 n SER 59 Ca -0.05 0.26 -0.02 0.00 -1.33 0.00 0.00 58.87 57.73 1tl6 n SER 59 Cb 0.47 -0.22 -0.08 0.00 -0.75 0.00 0.00 64.21 63.62 1tl6 n SER 59 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1tl6 n GLU 60 N -1.40 1.64 -2.16 -1.46 1.02 -1.21 -4.96 120.64 112.11 1tl6 n GLU 60 Ca -0.00 -0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.69 1tl6 n GLU 60 Cb 0.37 -1.27 -0.02 0.00 -0.02 0.00 0.00 31.44 30.49 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 -4.43 4.44 0.00 -4.62 1.43 -0.41 -5.05 118.68 110.04 1tl6 s LEU 61 Ca -0.05 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 1tl6 s LEU 61 Cb 0.04 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1tl6 s LEU 61 CO 0.44 -0.50 0.00 0.35 0.23 0.00 0.00 176.35 176.87 1tl6 n THR 62 N 1.28 0.00 0.52 5.49 -2.24 -1.26 -4.98 114.28 113.09 1tl6 n THR 62 Ca 0.01 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.92 1tl6 n THR 62 Cb 0.42 0.00 0.38 0.00 -2.10 0.00 0.00 70.33 69.03 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 -0.74 -0.78 4.15 -2.00 -3.21 115.11 112.53 1tl6 h GLN 63 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.52 1tl6 h GLN 63 Cb 0.00 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 27.58 1tl6 h GLN 63 CO 0.00 0.00 -0.35 -1.91 -1.93 0.00 0.00 178.83 174.64 1tl6 n GLU 64 N -2.43 -0.24 0.14 1.69 2.13 -1.26 -1.75 120.64 118.92 1tl6 n GLU 64 Ca 0.05 1.14 -0.16 0.00 0.66 0.00 0.00 57.16 58.85 1tl6 n GLU 64 Cb 0.42 -1.68 -0.09 0.00 0.27 0.00 0.00 31.44 30.36 1tl6 n GLU 64 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1tl6 h ASP 65 N 0.00 -1.45 -0.67 4.31 3.58 -1.94 -2.11 116.42 118.14 1tl6 h ASP 65 Ca 0.20 0.15 0.11 0.00 0.42 0.00 0.00 57.03 57.91 1tl6 h ASP 65 Cb 0.39 0.53 -0.12 0.00 1.72 0.00 0.00 39.33 41.84 1tl6 h ASP 65 CO -0.72 -0.54 -0.35 0.11 -2.88 0.00 0.00 179.24 174.86 1tl6 h LYS 66 N -0.75 -0.13 -0.62 0.28 1.57 -1.64 0.19 116.57 115.48 1tl6 h LYS 66 Ca -0.02 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1tl6 h LYS 66 Cb 0.73 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1tl6 h LYS 66 CO -0.23 -0.09 0.25 -0.22 -0.57 0.00 0.00 179.45 178.60 1tl6 h LYS 67 N -0.13 0.93 0.02 3.15 1.63 -1.23 -3.03 116.57 117.91 1tl6 h LYS 67 Ca 0.25 -0.17 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1tl6 h LYS 67 Cb 0.56 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1tl6 h LYS 67 CO -0.74 0.79 -0.01 1.15 -3.45 0.00 0.00 179.45 177.19 1tl6 h THR 68 N 0.87 1.26 -0.35 1.00 2.02 -0.69 -2.40 112.91 114.61 1tl6 h THR 68 Ca 0.21 -0.84 0.04 0.00 0.77 0.00 0.00 66.41 66.59 1tl6 h THR 68 Cb 0.20 1.82 -0.04 0.00 -1.74 0.00 0.00 68.15 68.40 1tl6 h THR 68 CO -0.02 0.22 0.12 0.25 0.37 0.00 0.00 175.52 176.46 1tl6 h LEU 69 N -0.39 0.13 0.27 2.58 6.46 -0.67 -2.33 115.31 121.35 1tl6 h LEU 69 Ca -0.00 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1tl6 h LEU 69 Cb 0.37 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.30 1tl6 h LEU 69 CO 0.00 0.11 -0.42 0.40 -0.62 0.00 0.00 178.44 177.92 1tl6 h ILE 70 N 0.27 0.00 -0.86 4.05 1.08 -1.62 -0.98 117.51 119.44 1tl6 h ILE 70 Ca 0.16 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.83 1tl6 h ILE 70 Cb 0.13 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.72 1tl6 h ILE 70 CO -0.16 0.00 -0.07 -0.78 -0.69 0.00 0.00 178.15 176.44 1tl6 h ASP 71 N -0.72 -0.56 0.10 1.72 3.58 -1.16 -0.51 116.42 118.87 1tl6 h ASP 71 Ca -0.03 0.24 -0.14 0.00 0.42 0.00 0.00 57.03 57.52 1tl6 h ASP 71 Cb 0.66 0.46 0.01 0.00 1.72 0.00 0.00 39.33 42.18 1tl6 h ASP 71 CO -0.13 -0.27 -0.64 -0.33 -2.88 0.00 0.00 179.24 174.99 1tl6 h GLU 72 N 0.04 0.20 -1.29 0.28 5.08 -1.44 -3.41 114.58 114.03 1tl6 h GLU 72 Ca 0.47 -0.35 -0.57 0.00 -1.00 0.00 0.00 59.36 57.91 1tl6 h GLU 72 Cb 0.83 0.13 -0.42 0.00 0.50 0.00 0.00 28.75 29.79 1tl6 h GLU 72 CO -0.82 1.17 -0.77 1.19 -1.00 0.00 0.00 179.01 178.77 1tl6 n PHE 73 N -4.25 3.17 -0.23 4.33 3.72 -0.38 -4.78 117.46 119.04 1tl6 n PHE 73 Ca -0.14 -2.86 -0.03 0.00 -0.05 0.00 0.00 57.45 54.37 1tl6 n PHE 73 Cb 0.73 -0.16 0.15 0.00 -0.94 0.00 0.00 39.48 39.26 1tl6 n PHE 73 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1tl6 h ASN 74 N 2.48 0.94 -0.69 4.37 -0.00 -1.29 -0.23 115.58 121.16 1tl6 h ASN 74 Ca 0.31 -0.12 -0.00 0.00 -0.00 0.00 0.00 56.30 56.48 1tl6 h ASN 74 Cb 1.10 -0.24 -0.03 0.00 -0.00 0.00 0.00 38.32 39.14 1tl6 h ASN 74 CO 0.81 0.82 0.42 -0.08 -0.00 0.00 0.00 177.43 179.41 1tl6 h GLU 75 N 1.02 0.92 -0.33 6.67 4.81 -1.86 -1.16 114.58 124.65 1tl6 h GLU 75 Ca 0.24 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.27 1tl6 h GLU 75 Cb 0.16 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1tl6 h GLU 75 CO -0.03 0.65 -0.27 0.78 -0.73 0.00 0.00 179.01 179.42 1tl6 h GLY 76 N 0.93 0.83 0.91 1.92 0.00 -1.85 -2.80 103.07 103.02 1tl6 h GLY 76 Ca 0.25 -0.82 0.01 0.00 0.00 0.00 0.00 47.33 46.77 1tl6 h GLY 76 CO -0.05 0.74 0.10 -2.75 0.00 0.00 0.00 176.54 174.58 1tl6 h PHE 77 N 0.54 0.18 0.21 5.60 3.57 -0.84 -0.72 116.94 125.48 1tl6 h PHE 77 Ca 0.06 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1tl6 h PHE 77 Cb 0.83 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1tl6 h PHE 77 CO 0.07 0.10 -0.10 1.49 -2.23 0.00 0.00 178.31 177.63 1tl6 h GLU 78 N 0.21 -0.28 -1.43 1.11 4.81 -1.29 -0.30 114.58 117.40 1tl6 h GLU 78 Ca 0.08 0.02 0.42 0.00 -0.13 0.00 0.00 59.36 59.75 1tl6 h GLU 78 Cb 0.02 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.39 1tl6 h GLU 78 CO -0.06 0.01 1.01 0.78 -0.73 0.00 0.00 179.01 180.03 1tl6 h GLY 79 N -0.56 0.29 0.67 1.92 0.00 -1.49 0.56 103.07 104.46 1tl6 h GLY 79 Ca -0.03 -0.03 -0.35 0.00 0.00 0.00 0.00 47.33 46.92 1tl6 h GLY 79 CO 0.05 -0.07 -1.95 1.55 0.00 0.00 0.00 176.54 176.12 1tl6 n VAL 80 N -4.22 1.74 -0.11 4.60 3.14 -0.28 -3.19 118.33 120.01 1tl6 n VAL 80 Ca 0.33 -0.69 -0.06 0.00 -2.96 0.00 0.00 64.34 60.96 1tl6 n VAL 80 Cb 1.48 -1.58 0.02 0.00 -1.06 0.00 0.00 33.84 32.70 1tl6 n VAL 80 CO 0.00 0.00 0.00 0.22 -6.46 0.00 0.00 176.83 170.59 1tl6 h TYR 81 N 0.06 0.24 -0.89 1.45 3.20 -0.48 0.11 116.97 120.66 1tl6 h TYR 81 Ca -0.40 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.52 1tl6 h TYR 81 Cb 2.03 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 40.19 1tl6 h TYR 81 CO 0.06 0.10 0.57 -0.09 -1.64 0.00 0.00 178.16 177.16 1tl6 h ARG 82 N 0.29 1.08 0.14 1.82 2.43 -1.05 -1.71 114.38 117.38 1tl6 h ARG 82 Ca 0.17 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1tl6 h ARG 82 Cb 0.14 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1tl6 h ARG 82 CO -0.17 0.71 -0.07 -0.92 -1.51 0.00 0.00 179.97 178.01 1tl6 h TYR 83 N 1.11 -0.18 -0.83 2.20 5.03 -1.43 -3.13 116.97 119.74 1tl6 h TYR 83 Ca 0.35 -0.00 0.17 0.00 2.58 0.00 0.00 58.73 61.83 1tl6 h TYR 83 Cb 0.01 0.06 -0.10 0.00 1.55 0.00 0.00 36.73 38.25 1tl6 h TYR 83 CO -0.02 -0.04 0.38 -0.07 -1.32 0.00 0.00 178.16 177.09 1tl6 h LEU 84 N -0.27 0.38 0.51 2.82 3.38 -0.31 -2.41 115.31 119.41 1tl6 h LEU 84 Ca -0.02 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1tl6 h LEU 84 Cb 0.21 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1tl6 h LEU 84 CO 0.03 0.12 -0.24 -0.33 0.09 0.00 0.00 178.44 178.10 1tl6 h GLU 85 N 0.50 -0.66 -0.55 1.13 4.39 -1.34 -1.43 114.58 116.62 1tl6 h GLU 85 Ca 0.47 0.04 0.15 0.00 0.34 0.00 0.00 59.36 60.37 1tl6 h GLU 85 Cb 0.76 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 1tl6 h GLU 85 CO -0.43 -0.37 0.39 0.52 -1.16 0.00 0.00 179.01 177.97 1tl6 h MET 86 N -0.87 0.04 0.00 2.33 2.86 -1.46 -3.40 114.93 114.42 1tl6 h MET 86 Ca -0.07 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1tl6 h MET 86 Cb 0.60 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1tl6 h MET 86 CO 0.11 0.02 0.00 0.66 1.06 0.00 0.00 176.91 178.77 1tl6 n TYR 87 N -4.39 0.00 -3.63 -0.22 4.02 -0.92 -5.13 117.16 106.89 1tl6 n TYR 87 Ca 0.10 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.96 1tl6 n TYR 87 Cb 0.60 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.89 1tl6 n TYR 87 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1tl6 s THR 88 N -0.16 0.00 0.11 -0.72 -1.32 -0.54 -5.05 115.64 107.94 1tl6 s THR 88 Ca 0.00 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 1tl6 s THR 88 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1tl6 s THR 88 CO 0.00 0.00 -0.04 0.21 -2.21 0.00 0.00 174.62 172.58 1tl6 s ASN 89 N -1.98 4.74 0.00 8.08 3.84 -1.26 -4.58 114.94 123.78 1tl6 s ASN 89 Ca 0.11 -0.29 0.15 0.00 0.21 0.00 0.00 52.86 53.05 1tl6 s ASN 89 Cb -0.01 -1.03 0.92 0.00 -0.55 0.00 0.00 41.25 40.58 1tl6 s ASN 89 CO -0.03 0.17 1.33 0.29 -2.79 0.00 0.00 177.10 176.07