#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 3.45 0.58 3.52 -0.14 -1.26 -5.00 119.74 120.89 1tl6 s LYS 3 Ca 0.00 -0.24 0.35 0.00 -1.36 0.00 0.00 55.97 54.73 1tl6 s LYS 3 Cb 0.00 -3.13 1.38 0.00 -1.68 0.00 0.00 37.83 34.40 1tl6 s LYS 3 CO 0.00 0.71 1.59 -0.91 -0.76 0.00 0.00 175.35 175.98 1tl6 h ASN 4 N 4.20 0.00 -0.29 2.83 4.21 -2.00 -0.40 115.58 124.13 1tl6 h ASN 4 Ca -0.51 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 56.92 1tl6 h ASN 4 Cb 1.20 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.39 1tl6 h ASN 4 CO 0.65 0.00 -0.15 0.40 -1.29 0.00 0.00 177.43 177.04 1tl6 h ILE 5 N 0.00 1.29 -0.49 2.81 2.04 -1.98 -1.79 117.51 119.40 1tl6 h ILE 5 Ca 0.57 -1.25 0.05 0.00 1.00 0.00 0.00 64.86 65.23 1tl6 h ILE 5 Cb 2.68 1.48 -0.07 0.00 -0.74 0.00 0.00 36.82 40.17 1tl6 h ILE 5 CO -0.01 0.40 -0.42 -0.78 0.00 0.00 0.00 178.15 177.35 1tl6 h ASP 6 N 0.37 -1.46 0.03 1.72 3.58 -1.48 0.22 116.42 119.41 1tl6 h ASP 6 Ca 0.06 0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.72 1tl6 h ASP 6 Cb 0.67 0.62 -0.00 0.00 1.72 0.00 0.00 39.33 42.34 1tl6 h ASP 6 CO 0.04 -0.24 -0.02 0.74 -2.88 0.00 0.00 179.24 176.89 1tl6 h THR 7 N -0.16 0.65 0.16 2.25 2.02 -1.40 -1.87 112.91 114.56 1tl6 h THR 7 Ca 0.08 -0.06 -0.36 0.00 0.77 0.00 0.00 66.41 66.84 1tl6 h THR 7 Cb 0.37 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1tl6 h THR 7 CO -0.55 0.02 -1.85 0.58 0.37 0.00 0.00 175.52 174.09 1tl6 h VAL 8 N 0.00 0.79 0.00 3.16 2.07 -1.05 -3.18 116.25 118.03 1tl6 h VAL 8 Ca -0.00 -2.42 -0.04 0.00 0.82 0.00 0.00 66.70 65.06 1tl6 h VAL 8 Cb 0.04 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 1tl6 h VAL 8 CO 0.00 0.87 -0.18 0.08 0.02 0.00 0.00 177.57 178.37 1tl6 h ARG 9 N 0.07 0.00 0.18 1.57 0.11 -0.15 -1.35 114.38 114.81 1tl6 h ARG 9 Ca -0.38 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.69 1tl6 h ARG 9 Cb 2.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.13 1tl6 h ARG 9 CO 0.13 0.18 -0.09 0.93 0.10 0.00 0.00 179.97 181.22 1tl6 h GLU 10 N 0.00 -0.23 -0.70 0.08 5.08 -1.49 0.12 114.58 117.43 1tl6 h GLU 10 Ca -0.00 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.51 1tl6 h GLU 10 Cb 0.63 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.80 1tl6 h GLU 10 CO 0.02 -0.00 -0.23 0.82 -1.00 0.00 0.00 179.01 178.62 1tl6 h ILE 11 N -0.44 0.23 0.96 3.13 2.04 -1.35 -1.74 117.51 120.34 1tl6 h ILE 11 Ca -0.02 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 1tl6 h ILE 11 Cb 0.34 0.23 0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1tl6 h ILE 11 CO 0.04 0.00 -0.46 0.40 0.00 0.00 0.00 178.15 178.13 1tl6 h ILE 12 N -0.05 0.05 0.01 -0.67 2.04 -1.25 -1.75 117.51 115.89 1tl6 h ILE 12 Ca 0.32 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 66.19 1tl6 h ILE 12 Cb 0.54 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1tl6 h ILE 12 CO -0.74 0.00 -0.17 0.74 0.00 0.00 0.00 178.15 177.98 1tl6 h THR 13 N -1.30 0.60 -0.13 -0.27 2.02 -0.65 -2.33 112.91 110.84 1tl6 h THR 13 Ca -0.13 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 1tl6 h THR 13 Cb 0.99 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1tl6 h THR 13 CO 0.22 0.00 -0.16 0.58 0.37 0.00 0.00 175.52 176.53 1tl6 h VAL 14 N -0.28 1.36 -0.74 3.16 2.07 -1.38 -2.23 116.25 118.21 1tl6 h VAL 14 Ca 0.05 -1.35 0.13 0.00 0.82 0.00 0.00 66.70 66.34 1tl6 h VAL 14 Cb 0.34 1.95 -0.13 0.00 -1.52 0.00 0.00 31.29 31.93 1tl6 h VAL 14 CO -0.15 0.39 -0.34 0.00 0.02 0.00 0.00 177.57 177.49 1tl6 h ALA 15 N 0.58 0.08 -0.15 1.67 0.00 -1.31 -1.39 119.26 118.74 1tl6 h ALA 15 Ca 0.02 0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 1tl6 h ALA 15 Cb 0.70 0.84 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1tl6 h ALA 15 CO 0.04 -0.63 -0.68 1.03 0.00 0.00 0.00 179.25 179.00 1tl6 h SER 16 N -0.10 0.70 -0.61 0.00 0.87 -1.37 0.20 113.55 113.25 1tl6 h SER 16 Ca 0.28 -0.43 0.04 0.00 -1.23 0.00 0.00 61.79 60.46 1tl6 h SER 16 Cb 0.57 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 62.28 1tl6 h SER 16 CO -0.79 1.18 0.34 0.40 -0.53 0.00 0.00 176.83 177.44 1tl6 h ILE 17 N 0.43 1.00 0.08 2.23 2.04 -1.02 0.33 117.51 122.60 1tl6 h ILE 17 Ca -0.02 -0.22 -0.16 0.00 1.00 0.00 0.00 64.86 65.45 1tl6 h ILE 17 Cb 1.27 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1tl6 h ILE 17 CO 0.13 0.12 -0.79 0.25 0.00 0.00 0.00 178.15 177.86 1tl6 h LEU 18 N 0.65 0.25 -0.26 1.44 6.46 -1.10 -3.39 115.31 119.36 1tl6 h LEU 18 Ca 0.26 -0.89 -0.21 0.00 -0.12 0.00 0.00 57.88 56.93 1tl6 h LEU 18 Cb 0.12 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1tl6 h LEU 18 CO -0.15 1.35 -0.75 0.16 -0.62 0.00 0.00 178.44 178.43 1tl6 h ILE 19 N -0.61 1.31 0.17 4.05 3.07 -0.61 -2.33 117.51 122.56 1tl6 h ILE 19 Ca -0.17 -2.02 -0.01 0.00 1.55 0.00 0.00 64.86 64.22 1tl6 h ILE 19 Cb 1.45 2.01 0.00 0.00 -0.27 0.00 0.00 36.82 40.00 1tl6 h ILE 19 CO 0.04 0.63 -0.08 0.11 -1.05 0.00 0.00 178.15 177.79 1tl6 h LYS 20 N 0.45 -0.23 -0.13 0.16 1.79 -1.11 -3.31 116.57 114.19 1tl6 h LYS 20 Ca -0.04 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1tl6 h LYS 20 Cb 1.36 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.06 1tl6 h LYS 20 CO 0.15 -0.09 0.00 1.97 -1.08 0.00 0.00 179.45 180.39 1tl6 n PHE 21 N -5.16 0.46 0.00 -1.35 1.16 -1.26 -4.92 117.46 106.39 1tl6 n PHE 21 Ca -0.09 -0.90 0.00 0.00 -1.87 0.00 0.00 57.45 54.59 1tl6 n PHE 21 Cb 0.14 -0.22 0.00 0.00 -1.61 0.00 0.00 39.48 37.79 1tl6 n PHE 21 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1tl6 n SER 22 N -0.90 0.00 -4.19 5.98 2.88 -0.90 -5.10 113.62 111.39 1tl6 n SER 22 Ca 0.18 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.38 1tl6 n SER 22 Cb 0.74 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 64.04 1tl6 n SER 22 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1tl6 s ARG 23 N 0.04 3.12 -0.19 -1.46 6.06 -1.06 -4.97 118.95 120.48 1tl6 s ARG 23 Ca 0.00 -0.76 -0.22 0.00 -2.50 0.00 0.00 55.73 52.25 1tl6 s ARG 23 Cb 0.00 -2.75 -0.21 0.00 0.06 0.00 0.00 34.95 32.05 1tl6 s ARG 23 CO 0.00 -0.21 0.32 1.49 -2.50 0.00 0.00 175.30 174.39 1tl6 h GLU 24 N 8.00 0.02 -0.27 5.12 4.81 -1.89 -3.40 114.58 126.98 1tl6 h GLU 24 Ca -0.44 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 58.83 1tl6 h GLU 24 Cb 1.15 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 1tl6 h GLU 24 CO 0.62 1.02 0.02 -0.25 -0.73 0.00 0.00 179.01 179.69 1tl6 n ASP 25 N -4.40 -0.02 -0.25 1.04 9.92 -1.26 -0.62 116.55 120.96 1tl6 n ASP 25 Ca -0.29 0.45 -0.07 0.00 -0.53 0.00 0.00 54.79 54.35 1tl6 n ASP 25 Cb 0.67 -0.17 0.04 0.00 -0.64 0.00 0.00 41.12 41.03 1tl6 n ASP 25 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1tl6 h ILE 26 N 0.00 1.26 -0.14 0.53 -0.00 -1.89 -3.18 117.51 114.09 1tl6 h ILE 26 Ca 0.17 -0.93 -0.10 0.00 -0.00 0.00 0.00 64.86 63.99 1tl6 h ILE 26 Cb 0.35 0.56 -0.01 0.00 -0.00 0.00 0.00 36.82 37.72 1tl6 h ILE 26 CO -0.25 0.36 -0.37 1.62 -0.00 0.00 0.00 178.15 179.51 1tl6 h VAL 27 N 1.02 1.29 -1.23 0.16 3.04 -1.13 -3.06 116.25 116.34 1tl6 h VAL 27 Ca 0.22 -1.44 0.39 0.00 -1.01 0.00 0.00 66.70 64.85 1tl6 h VAL 27 Cb 0.35 1.60 -0.12 0.00 -2.01 0.00 0.00 31.29 31.11 1tl6 h VAL 27 CO -0.00 0.44 0.79 -0.33 -1.01 0.00 0.00 177.57 177.46 1tl6 h GLU 28 N 0.25 0.17 -3.17 4.17 5.08 -1.51 -3.36 114.58 116.20 1tl6 h GLU 28 Ca 0.03 -0.01 -0.49 0.00 -1.00 0.00 0.00 59.36 57.88 1tl6 h GLU 28 Cb 0.77 -0.04 -0.40 0.00 0.50 0.00 0.00 28.75 29.58 1tl6 h GLU 28 CO 0.06 0.11 -0.76 -0.80 -1.00 0.00 0.00 179.01 176.62 1tl6 s ASN 29 N -4.72 2.77 0.21 1.42 0.02 -1.16 -5.07 114.94 108.41 1tl6 s ASN 29 Ca -0.08 -0.83 0.21 0.00 -1.02 0.00 0.00 52.86 51.14 1tl6 s ASN 29 Cb 0.29 -0.39 0.01 0.00 0.02 0.00 0.00 41.25 41.18 1tl6 s ASN 29 CO 0.81 -0.36 1.08 0.03 0.02 0.00 0.00 177.10 178.69 1tl6 h ARG 30 N 8.35 0.00 0.00 -0.60 3.08 -1.72 -2.47 114.38 121.02 1tl6 h ARG 30 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1tl6 h ARG 30 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1tl6 h ARG 30 CO 0.34 0.08 0.00 0.00 -1.07 0.00 0.00 179.97 179.32 1tl6 n ALA 31 N -2.22 1.26 0.07 0.04 0.00 -1.26 -1.55 120.51 116.84 1tl6 n ALA 31 Ca -0.01 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.48 1tl6 n ALA 31 Cb 0.62 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 1tl6 n ALA 31 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1tl6 n ASN 32 N -1.36 0.79 -0.02 0.00 3.02 -0.93 -2.49 115.26 114.27 1tl6 n ASN 32 Ca 0.01 0.32 -0.13 0.00 -0.03 0.00 0.00 54.58 54.75 1tl6 n ASN 32 Cb 0.02 0.44 -0.10 0.00 -0.61 0.00 0.00 39.78 39.53 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 -0.02 0.20 3.10 3.57 -1.23 -3.16 116.94 119.39 1tl6 h PHE 33 Ca -0.07 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.44 1tl6 h PHE 33 Cb 1.25 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.97 1tl6 h PHE 33 CO 0.00 0.58 -0.31 0.82 -2.23 0.00 0.00 178.31 177.17 1tl6 h ILE 34 N -0.65 0.34 0.00 1.41 2.04 -1.45 -2.61 117.51 116.59 1tl6 h ILE 34 Ca -0.00 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 1tl6 h ILE 34 Cb 0.62 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1tl6 h ILE 34 CO 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 178.15 177.73 1tl6 h ALA 35 N 0.03 1.17 0.00 1.87 0.00 -1.56 -0.44 119.26 120.32 1tl6 h ALA 35 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1tl6 h ALA 35 Cb 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1tl6 h ALA 35 CO -0.13 0.54 -0.19 0.35 0.00 0.00 0.00 179.25 179.82 1tl6 h PHE 36 N 0.00 0.00 0.00 0.00 3.04 -1.53 -2.77 116.94 115.68 1tl6 h PHE 36 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1tl6 h PHE 36 Cb 0.82 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.33 1tl6 h PHE 36 CO 0.00 0.00 -0.15 1.47 -2.02 0.00 0.00 178.31 177.61 1tl6 n LEU 37 N -2.43 0.81 0.09 0.59 -0.00 -0.29 -3.60 117.00 112.16 1tl6 n LEU 37 Ca 0.04 0.49 0.11 0.00 -0.00 0.00 0.00 56.01 56.66 1tl6 n LEU 37 Cb 0.46 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 43.60 1tl6 n LEU 37 CO 0.33 -0.15 -0.01 0.59 -0.00 0.00 0.00 177.39 178.14 1tl6 n ASN 38 N -2.24 0.76 -0.32 1.45 5.03 -0.52 -3.53 115.26 115.88 1tl6 n ASN 38 Ca 0.05 0.25 0.29 0.00 0.87 0.00 0.00 54.58 56.04 1tl6 n ASN 38 Cb 0.43 0.57 0.54 0.00 -1.02 0.00 0.00 39.78 40.30 1tl6 n ASN 38 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1tl6 h GLU 39 N 0.00 0.02 -1.08 3.52 4.81 -1.58 -1.31 114.58 118.96 1tl6 h GLU 39 Ca 0.00 -0.00 0.29 0.00 -0.13 0.00 0.00 59.36 59.52 1tl6 h GLU 39 Cb 0.96 -0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.24 1tl6 h GLU 39 CO 0.00 0.01 0.69 0.82 -0.73 0.00 0.00 179.01 179.80 1tl6 h ILE 40 N 0.02 0.47 0.00 2.32 2.04 -1.72 -3.45 117.51 117.18 1tl6 h ILE 40 Ca 0.81 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 66.55 1tl6 h ILE 40 Cb 2.07 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1tl6 h ILE 40 CO -0.79 0.06 0.00 0.61 0.00 0.00 0.00 178.15 178.04 1tl6 n GLY 41 N -1.49 1.35 3.54 5.37 0.00 -0.49 -5.06 105.19 108.40 1tl6 n GLY 41 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 1tl6 n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1tl6 n VAL 42 N -0.62 -0.06 -4.39 1.61 0.31 -1.25 -4.96 118.33 108.97 1tl6 n VAL 42 Ca 0.00 -0.57 -0.28 0.00 -0.01 0.00 0.00 64.34 63.48 1tl6 n VAL 42 Cb 0.00 -2.07 -0.13 0.00 -0.91 0.00 0.00 33.84 30.73 1tl6 n VAL 42 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1tl6 s THR 43 N 11.28 2.25 0.00 2.52 -4.23 -1.26 -4.57 115.64 121.63 1tl6 s THR 43 Ca 1.08 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 1tl6 s THR 43 Cb -0.46 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1tl6 s THR 43 CO 0.31 0.01 0.00 1.41 -0.54 0.00 0.00 174.62 175.81 1tl6 n HIS 44 N 0.70 0.00 -1.93 3.99 8.25 -0.62 -5.03 115.22 120.58 1tl6 n HIS 44 Ca -0.16 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.98 1tl6 n HIS 44 Cb 0.54 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.59 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 1.68 0.00 -0.41 2.13 -1.26 -3.04 120.64 119.73 1tl6 n GLU 45 Ca 0.00 -2.41 0.00 0.00 0.66 0.00 0.00 57.16 55.41 1tl6 n GLU 45 Cb 0.00 -3.57 0.00 0.00 0.27 0.00 0.00 31.44 28.14 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 5.53 3.31 3.30 8.31 0.00 -1.26 -4.97 105.19 119.42 1tl6 n GLY 46 Ca 0.46 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.65 1.48 1.37 1.61 0.52 -1.17 -5.16 118.95 116.95 1tl6 s ARG 47 Ca 0.00 -1.71 -0.22 0.00 -0.52 0.00 0.00 55.73 53.28 1tl6 s ARG 47 Cb 0.00 0.33 0.35 0.00 0.52 0.00 0.00 34.95 36.15 1tl6 s ARG 47 CO 0.00 -0.54 0.98 0.15 0.02 0.00 0.00 175.30 175.91 1tl6 s LYS 48 N -3.81 -2.56 0.61 3.54 -0.14 -1.26 -1.59 119.74 114.52 1tl6 s LYS 48 Ca 0.37 0.04 -0.13 0.00 -1.36 0.00 0.00 55.97 54.88 1tl6 s LYS 48 Cb 0.04 -1.43 -0.04 0.00 -1.68 0.00 0.00 37.83 34.72 1tl6 s LYS 48 CO 0.17 -4.61 1.03 -0.51 -0.76 0.00 0.00 175.35 170.67 1tl6 s LEU 49 N -7.62 3.35 0.52 3.17 1.43 -1.26 -4.64 118.68 113.63 1tl6 s LEU 49 Ca 0.70 1.57 0.05 0.00 -1.03 0.00 0.00 54.13 55.41 1tl6 s LEU 49 Cb -0.11 -4.50 0.02 0.00 0.03 0.00 0.00 46.19 41.63 1tl6 s LEU 49 CO 0.57 -0.97 0.30 0.20 0.23 0.00 0.00 176.35 176.68 1tl6 s ASN 50 N -3.58 4.53 -0.08 2.29 -0.87 -1.26 -5.03 114.94 110.94 1tl6 s ASN 50 Ca 0.58 -1.29 -0.26 0.00 -1.57 0.00 0.00 52.86 50.32 1tl6 s ASN 50 Cb -0.12 0.30 -0.25 0.00 -0.02 0.00 0.00 41.25 41.16 1tl6 s ASN 50 CO 0.46 -0.98 0.95 -0.61 -2.57 0.00 0.00 177.10 174.34 1tl6 h GLN 51 N 0.95 0.08 -0.10 -0.60 4.15 -1.98 -3.33 115.11 114.28 1tl6 h GLN 51 Ca -0.39 -0.09 0.03 0.00 0.77 0.00 0.00 58.65 58.97 1tl6 h GLN 51 Cb 1.30 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 29.01 1tl6 h GLN 51 CO 0.62 0.90 0.14 -0.91 -1.93 0.00 0.00 178.83 177.65 1tl6 h ASN 52 N -0.71 0.00 0.15 -0.69 2.35 -2.04 -2.83 115.58 111.82 1tl6 h ASN 52 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1tl6 h ASN 52 Cb 0.96 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.33 1tl6 h ASN 52 CO 0.03 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.61 1tl6 n SER 53 N -3.59 0.00 0.13 5.81 7.64 -1.25 -3.08 113.62 119.29 1tl6 n SER 53 Ca -0.00 0.36 0.12 0.00 1.01 0.00 0.00 58.87 60.36 1tl6 n SER 53 Cb 0.24 -0.40 0.49 0.00 -1.01 0.00 0.00 64.21 63.53 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 -1.40 0.88 0.37 1.43 7.35 -1.07 -1.28 117.46 123.74 1tl6 n PHE 54 Ca 0.02 0.33 -0.18 0.00 -0.76 0.00 0.00 57.45 56.86 1tl6 n PHE 54 Cb 0.06 -1.03 -0.09 0.00 0.35 0.00 0.00 39.48 38.76 1tl6 n PHE 54 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 1tl6 h ARG 55 N 0.00 -0.96 -0.00 -4.13 -0.00 -1.84 0.36 114.38 107.82 1tl6 h ARG 55 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 59.98 60.05 1tl6 h ARG 55 Cb 0.43 0.22 0.00 0.00 -0.00 0.00 0.00 29.97 30.62 1tl6 h ARG 55 CO 0.00 -0.64 -0.12 0.36 -0.00 0.00 0.00 179.97 179.57 1tl6 n LYS 56 N -5.54 0.26 0.00 0.08 2.85 -1.06 -0.72 118.16 114.04 1tl6 n LYS 56 Ca -0.13 -0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 1tl6 n LYS 56 Cb 0.42 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.30 1tl6 n LYS 56 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1tl6 n ILE 57 N -1.31 0.00 0.12 0.58 2.08 -0.41 -4.58 119.36 115.85 1tl6 n ILE 57 Ca 0.10 1.09 -0.21 0.00 0.56 0.00 0.00 62.75 64.29 1tl6 n ILE 57 Cb 0.31 -2.01 -0.14 0.00 -0.75 0.00 0.00 39.64 37.04 1tl6 n ILE 57 CO 0.00 0.00 0.00 1.62 0.56 0.00 0.00 176.55 178.73 1tl6 h VAL 58 N 0.00 1.36 0.13 1.39 3.04 0.63 -3.36 116.25 119.44 1tl6 h VAL 58 Ca 0.00 -2.77 -0.01 0.00 -1.01 0.00 0.00 66.70 62.92 1tl6 h VAL 58 Cb 0.00 2.92 0.00 0.00 -2.01 0.00 0.00 31.29 32.20 1tl6 h VAL 58 CO 0.00 0.82 -0.06 -1.28 -1.01 0.00 0.00 177.57 176.04 1tl6 h SER 59 N 0.15 -0.14 -1.74 3.17 0.87 -1.14 -2.88 113.55 111.84 1tl6 h SER 59 Ca -0.20 -0.17 0.52 0.00 -1.23 0.00 0.00 61.79 60.71 1tl6 h SER 59 Cb 2.03 0.04 -0.09 0.00 -0.44 0.00 0.00 62.40 63.94 1tl6 h SER 59 CO 0.24 0.09 1.22 -0.33 -0.53 0.00 0.00 176.83 177.53 1tl6 h GLU 60 N -0.38 0.01 -7.08 2.24 4.39 -1.74 -3.44 114.58 108.58 1tl6 h GLU 60 Ca -0.02 -0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.21 1tl6 h GLU 60 Cb 0.31 -0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1tl6 h GLU 60 CO 0.03 0.01 0.38 -0.51 -1.16 0.00 0.00 179.01 177.76 1tl6 s LEU 61 N -8.39 3.83 0.00 1.33 1.43 -1.09 -5.04 118.68 110.75 1tl6 s LEU 61 Ca -0.06 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.95 1tl6 s LEU 61 Cb 0.28 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.94 1tl6 s LEU 61 CO 0.87 -0.78 0.00 0.35 0.23 0.00 0.00 176.35 177.02 1tl6 n THR 62 N -1.02 0.00 0.06 5.49 -2.24 -1.26 -5.01 114.28 110.29 1tl6 n THR 62 Ca 0.09 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.78 1tl6 n THR 62 Cb 0.53 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.06 -0.72 -0.78 7.50 -2.01 -3.33 115.11 115.84 1tl6 h GLN 63 Ca 0.00 -0.11 0.12 0.00 0.50 0.00 0.00 58.65 59.16 1tl6 h GLN 63 Cb 0.00 0.04 -0.13 0.00 0.05 0.00 0.00 27.48 27.44 1tl6 h GLN 63 CO 0.00 0.97 -0.33 1.49 -1.50 0.00 0.00 178.83 179.46 1tl6 h GLU 64 N 0.02 -0.10 0.02 1.46 4.81 -2.01 -2.76 114.58 116.02 1tl6 h GLU 64 Ca -0.09 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1tl6 h GLU 64 Cb 1.86 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 31.21 1tl6 h GLU 64 CO 0.14 -0.06 -0.47 0.22 -0.73 0.00 0.00 179.01 178.10 1tl6 h ASP 65 N -0.10 -1.45 -0.36 1.04 3.58 -1.96 -1.43 116.42 115.75 1tl6 h ASP 65 Ca 0.28 0.16 0.03 0.00 0.42 0.00 0.00 57.03 57.92 1tl6 h ASP 65 Cb 0.57 0.55 -0.04 0.00 1.72 0.00 0.00 39.33 42.12 1tl6 h ASP 65 CO -0.77 -0.47 -0.21 1.17 -2.88 0.00 0.00 179.24 176.08 1tl6 n LYS 66 N -5.09 -0.16 0.02 0.28 4.81 -1.04 -0.63 118.16 116.35 1tl6 n LYS 66 Ca -0.07 1.01 -0.09 0.00 -0.87 0.00 0.00 58.31 58.30 1tl6 n LYS 66 Cb 0.35 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 33.77 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 0.02 -0.21 1.64 1.63 -1.61 -3.16 116.57 114.88 1tl6 h LYS 67 Ca 0.06 -0.04 0.06 0.00 -0.85 0.00 0.00 60.65 59.87 1tl6 h LYS 67 Cb 0.15 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.73 1tl6 h LYS 67 CO -0.34 0.76 -0.19 1.15 -3.45 0.00 0.00 179.45 177.39 1tl6 h THR 68 N 0.01 0.50 0.42 1.00 2.02 -0.80 -2.99 112.91 113.06 1tl6 h THR 68 Ca -0.17 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1tl6 h THR 68 Cb 1.91 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.80 1tl6 h THR 68 CO 0.11 0.00 -0.49 0.25 0.37 0.00 0.00 175.52 175.75 1tl6 h LEU 69 N -0.20 -1.38 -0.94 2.58 5.85 -0.97 -2.91 115.31 117.34 1tl6 h LEU 69 Ca 0.13 0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 1tl6 h LEU 69 Cb 0.39 0.47 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1tl6 h LEU 69 CO -0.33 -0.62 -0.13 0.40 -0.34 0.00 0.00 178.44 177.42 1tl6 h ILE 70 N -0.93 1.25 -0.22 4.05 2.04 -1.51 -0.45 117.51 121.75 1tl6 h ILE 70 Ca -0.05 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.67 1tl6 h ILE 70 Cb 0.82 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1tl6 h ILE 70 CO -0.10 0.37 0.07 -0.78 0.00 0.00 0.00 178.15 177.71 1tl6 h ASP 71 N 0.57 0.32 -0.05 1.72 3.58 -1.55 -2.67 116.42 118.34 1tl6 h ASP 71 Ca 0.10 -0.20 -0.11 0.00 0.42 0.00 0.00 57.03 57.24 1tl6 h ASP 71 Cb 0.56 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 41.53 1tl6 h ASP 71 CO 0.04 0.43 -0.39 -0.33 -2.88 0.00 0.00 179.24 176.11 1tl6 h GLU 72 N 0.19 0.36 -3.21 0.28 5.08 -1.15 -3.43 114.58 112.70 1tl6 h GLU 72 Ca 0.07 -0.31 -0.55 0.00 -1.00 0.00 0.00 59.36 57.56 1tl6 h GLU 72 Cb 0.22 0.07 -0.40 0.00 0.50 0.00 0.00 28.75 29.14 1tl6 h GLU 72 CO -0.00 0.97 -0.77 -0.06 -1.00 0.00 0.00 179.01 178.15 1tl6 s PHE 73 N -3.52 1.03 0.04 4.33 0.08 -0.25 -5.01 117.98 114.68 1tl6 s PHE 73 Ca -0.14 -1.27 -0.13 0.00 0.12 0.00 0.00 56.93 55.51 1tl6 s PHE 73 Cb 0.04 -1.29 -0.34 0.00 -0.57 0.00 0.00 43.02 40.85 1tl6 s PHE 73 CO 0.79 -0.83 1.03 -2.95 -0.10 0.00 0.00 175.22 173.15 1tl6 h ASN 74 N 8.25 0.74 0.03 1.36 7.08 -1.72 -3.40 115.58 127.91 1tl6 h ASN 74 Ca -0.17 -0.80 -0.20 0.00 -3.08 0.00 0.00 56.30 52.06 1tl6 h ASN 74 Cb 1.02 -0.24 0.02 0.00 -2.08 0.00 0.00 38.32 37.04 1tl6 h ASN 74 CO 0.45 1.62 -0.80 -0.08 -2.08 0.00 0.00 177.43 176.54 1tl6 h GLU 75 N 0.13 0.49 -0.35 4.14 4.81 -1.95 -3.00 114.58 118.85 1tl6 h GLU 75 Ca -0.23 -0.57 -0.05 0.00 -0.13 0.00 0.00 59.36 58.39 1tl6 h GLU 75 Cb 2.12 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 31.66 1tl6 h GLU 75 CO 0.26 1.20 0.02 0.78 -0.73 0.00 0.00 179.01 180.54 1tl6 h GLY 76 N 0.03 0.58 1.00 1.92 0.00 -1.94 -1.69 103.07 102.97 1tl6 h GLY 76 Ca -0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1tl6 h GLY 76 CO 0.16 0.32 -0.09 -2.75 0.00 0.00 0.00 176.54 174.17 1tl6 h PHE 77 N 0.52 -0.23 -0.17 5.60 3.57 -1.77 -0.84 116.94 123.62 1tl6 h PHE 77 Ca 0.11 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 1tl6 h PHE 77 Cb 0.31 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1tl6 h PHE 77 CO 0.01 -0.14 -0.26 1.05 -2.23 0.00 0.00 178.31 176.74 1tl6 h GLU 78 N -0.25 0.31 -0.15 1.11 4.11 -1.50 -2.78 114.58 115.43 1tl6 h GLU 78 Ca -0.03 -0.11 -0.06 0.00 0.07 0.00 0.00 59.36 59.23 1tl6 h GLU 78 Cb 0.19 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1tl6 h GLU 78 CO 0.04 0.55 -0.20 0.78 0.07 0.00 0.00 179.01 180.25 1tl6 h GLY 79 N 0.99 0.27 1.23 1.06 0.00 -0.96 -0.12 103.07 105.54 1tl6 h GLY 79 Ca 0.04 -0.18 -0.31 0.00 0.00 0.00 0.00 47.33 46.88 1tl6 h GLY 79 CO 0.04 0.17 -1.53 -0.39 0.00 0.00 0.00 176.54 174.83 1tl6 h VAL 80 N 0.23 1.16 -0.39 4.60 -1.51 -1.08 -3.11 116.25 116.15 1tl6 h VAL 80 Ca 0.04 -2.77 -0.09 0.00 -1.23 0.00 0.00 66.70 62.65 1tl6 h VAL 80 Cb 0.49 2.80 -0.01 0.00 -2.13 0.00 0.00 31.29 32.43 1tl6 h VAL 80 CO 0.03 0.83 -0.10 0.22 -1.23 0.00 0.00 177.57 177.32 1tl6 h TYR 81 N 0.08 0.85 -0.45 5.19 3.20 -1.38 0.16 116.97 124.62 1tl6 h TYR 81 Ca -0.25 -0.19 0.03 0.00 3.14 0.00 0.00 58.73 61.47 1tl6 h TYR 81 Cb 2.04 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 40.06 1tl6 h TYR 81 CO 0.07 0.90 0.23 -0.09 -1.64 0.00 0.00 178.16 177.63 1tl6 h ARG 82 N 0.56 0.45 -0.22 1.82 9.65 -1.14 -2.78 114.38 122.71 1tl6 h ARG 82 Ca 0.10 -0.03 -0.19 0.00 -1.10 0.00 0.00 59.98 58.76 1tl6 h ARG 82 Cb 0.63 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 1tl6 h ARG 82 CO 0.04 0.30 -0.61 -0.92 2.80 0.00 0.00 179.97 181.58 1tl6 h TYR 83 N 0.46 1.04 -0.65 2.20 3.20 -1.47 -3.12 116.97 118.64 1tl6 h TYR 83 Ca 0.19 -0.41 0.14 0.00 3.14 0.00 0.00 58.73 61.79 1tl6 h TYR 83 Cb 0.09 -0.18 -0.10 0.00 1.54 0.00 0.00 36.73 38.07 1tl6 h TYR 83 CO -0.10 1.23 0.05 1.25 -1.64 0.00 0.00 178.16 178.95 1tl6 h LEU 84 N 0.55 -0.19 -0.93 2.82 5.85 -0.48 0.17 115.31 123.10 1tl6 h LEU 84 Ca -0.01 0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 1tl6 h LEU 84 Cb 1.23 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 1tl6 h LEU 84 CO 0.13 -0.09 -0.16 -0.33 -0.34 0.00 0.00 178.44 177.65 1tl6 h GLU 85 N 0.16 0.60 -0.07 1.25 4.39 -1.59 -3.09 114.58 116.24 1tl6 h GLU 85 Ca 0.34 -0.20 -0.10 0.00 0.34 0.00 0.00 59.36 59.74 1tl6 h GLU 85 Cb 0.56 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1tl6 h GLU 85 CO -0.52 0.74 -0.37 1.98 -1.16 0.00 0.00 179.01 179.68 1tl6 h MET 86 N 0.54 0.36 0.00 2.33 4.05 -0.85 -3.41 114.93 117.95 1tl6 h MET 86 Ca 0.09 -0.30 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 1tl6 h MET 86 Cb 0.59 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.46 1tl6 h MET 86 CO 0.04 0.95 0.00 2.48 0.23 0.00 0.00 176.91 180.61 1tl6 n TYR 87 N -4.38 0.00 -3.64 1.39 0.18 0.37 -5.05 117.16 106.02 1tl6 n TYR 87 Ca -0.08 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.65 1tl6 n TYR 87 Cb 0.53 -0.30 -0.07 0.00 -0.38 0.00 0.00 39.34 39.12 1tl6 n TYR 87 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 1tl6 s THR 88 N -0.71 0.00 0.01 -3.48 -1.32 -1.17 -5.09 115.64 103.88 1tl6 s THR 88 Ca 0.00 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.36 1tl6 s THR 88 Cb 0.00 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 1tl6 s THR 88 CO 0.00 0.00 0.37 0.20 -2.21 0.00 0.00 174.62 172.98 1tl6 s ASN 89 N 1.12 6.71 0.00 8.08 0.02 -1.26 -4.88 114.94 124.73 1tl6 s ASN 89 Ca -0.06 0.85 0.31 0.00 -1.02 0.00 0.00 52.86 52.94 1tl6 s ASN 89 Cb -0.04 -2.21 1.77 0.00 0.02 0.00 0.00 41.25 40.79 1tl6 s ASN 89 CO -0.13 0.29 2.15 1.17 0.02 0.00 0.00 177.10 180.60