#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 1.97 0.03 -3.83 2.20 -1.26 -5.04 119.74 113.82 1tl6 s LYS 3 Ca 0.00 -1.22 -0.17 0.00 -0.36 0.00 0.00 55.97 54.22 1tl6 s LYS 3 Cb 0.00 -2.16 -0.29 0.00 -1.51 0.00 0.00 37.83 33.87 1tl6 s LYS 3 CO 0.00 0.46 1.06 -0.91 -0.36 0.00 0.00 175.35 175.60 1tl6 h ASN 4 N 3.24 0.76 -0.50 1.43 4.21 -2.00 -2.82 115.58 119.91 1tl6 h ASN 4 Ca -0.48 -0.84 0.14 0.00 1.21 0.00 0.00 56.30 56.34 1tl6 h ASN 4 Cb 1.19 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 38.13 1tl6 h ASN 4 CO 0.51 1.52 0.43 0.40 -1.29 0.00 0.00 177.43 179.01 1tl6 h ILE 5 N 0.10 0.53 0.38 2.81 2.04 -1.97 0.02 117.51 121.41 1tl6 h ILE 5 Ca -0.17 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1tl6 h ILE 5 Cb 1.79 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 1tl6 h ILE 5 CO 0.21 0.00 -0.37 -0.78 0.00 0.00 0.00 178.15 177.21 1tl6 h ASP 6 N 0.00 -0.99 0.02 1.72 3.58 -1.91 -2.21 116.42 116.63 1tl6 h ASP 6 Ca 0.24 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.77 1tl6 h ASP 6 Cb 1.09 0.33 0.00 0.00 1.72 0.00 0.00 39.33 42.47 1tl6 h ASP 6 CO -0.00 -0.51 -0.01 0.74 -2.88 0.00 0.00 179.24 176.58 1tl6 h THR 7 N -0.77 1.18 -0.64 2.25 2.02 -0.97 -2.56 112.91 113.41 1tl6 h THR 7 Ca -0.03 -0.59 0.13 0.00 0.77 0.00 0.00 66.41 66.69 1tl6 h THR 7 Cb 0.68 1.57 -0.12 0.00 -1.74 0.00 0.00 68.15 68.54 1tl6 h THR 7 CO -0.06 0.15 -0.17 0.58 0.37 0.00 0.00 175.52 176.39 1tl6 h VAL 8 N -0.27 0.34 -0.00 3.16 2.07 -1.20 -1.75 116.25 118.58 1tl6 h VAL 8 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1tl6 h VAL 8 Cb 0.26 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1tl6 h VAL 8 CO 0.00 0.00 -0.11 -2.11 0.02 0.00 0.00 177.57 175.38 1tl6 n ARG 9 N -5.44 0.08 -0.01 1.57 1.85 -0.83 -1.26 116.66 112.61 1tl6 n ARG 9 Ca 0.08 -0.02 -0.14 0.00 -1.00 0.00 0.00 57.85 56.77 1tl6 n ARG 9 Cb 0.34 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.22 1tl6 n ARG 9 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1tl6 h GLU 10 N 0.04 0.69 0.69 2.89 4.81 -0.90 -2.91 114.58 119.88 1tl6 h GLU 10 Ca 0.00 -0.52 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 1tl6 h GLU 10 Cb 0.47 0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.96 1tl6 h GLU 10 CO 0.00 1.14 -0.33 0.82 -0.73 0.00 0.00 179.01 179.91 1tl6 h ILE 11 N 0.49 0.00 -0.12 2.32 2.04 -0.84 -3.06 117.51 118.34 1tl6 h ILE 11 Ca -0.03 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.44 1tl6 h ILE 11 Cb 1.30 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1tl6 h ILE 11 CO 0.14 0.00 -0.27 -0.29 0.00 0.00 0.00 178.15 177.73 1tl6 h ILE 12 N -1.25 1.25 -0.18 -0.67 -0.00 -1.33 -1.44 117.51 113.89 1tl6 h ILE 12 Ca -0.10 -1.16 -0.11 0.00 -0.00 0.00 0.00 64.86 63.49 1tl6 h ILE 12 Cb 0.72 1.46 0.00 0.00 -0.00 0.00 0.00 36.82 38.99 1tl6 h ILE 12 CO 0.16 0.35 -0.34 0.74 -0.00 0.00 0.00 178.15 179.06 1tl6 h THR 13 N 0.20 1.34 0.07 2.19 2.02 -1.62 -2.99 112.91 114.13 1tl6 h THR 13 Ca 0.03 -1.57 -0.26 0.00 0.77 0.00 0.00 66.41 65.38 1tl6 h THR 13 Cb 0.59 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1tl6 h THR 13 CO 0.04 0.48 -1.25 0.58 0.37 0.00 0.00 175.52 175.74 1tl6 h VAL 14 N 0.20 1.45 -0.20 3.16 2.07 -1.47 -3.11 116.25 118.35 1tl6 h VAL 14 Ca 0.01 -3.11 -0.01 0.00 0.82 0.00 0.00 66.70 64.41 1tl6 h VAL 14 Cb 0.93 2.83 -0.01 0.00 -1.52 0.00 0.00 31.29 33.52 1tl6 h VAL 14 CO 0.08 0.88 0.09 0.00 0.02 0.00 0.00 177.57 178.63 1tl6 h ALA 15 N 0.74 0.25 -0.87 1.67 0.00 -1.32 -1.49 119.26 118.25 1tl6 h ALA 15 Ca -0.13 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 54.83 1tl6 h ALA 15 Cb 1.91 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.56 1tl6 h ALA 15 CO 0.16 -0.17 0.56 1.03 0.00 0.00 0.00 179.25 180.83 1tl6 h SER 16 N 0.18 0.62 0.40 0.00 0.87 -1.61 0.22 113.55 114.23 1tl6 h SER 16 Ca 0.07 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1tl6 h SER 16 Cb 0.14 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1tl6 h SER 16 CO -0.01 0.32 -0.19 0.40 -0.53 0.00 0.00 176.83 176.82 1tl6 h ILE 17 N 0.66 0.55 -0.96 2.23 2.04 -1.34 -0.47 117.51 120.22 1tl6 h ILE 17 Ca 0.43 -0.47 0.11 0.00 1.00 0.00 0.00 64.86 65.94 1tl6 h ILE 17 Cb 0.72 0.76 -0.13 0.00 -0.74 0.00 0.00 36.82 37.43 1tl6 h ILE 17 CO -0.19 0.08 -0.48 -0.11 0.00 0.00 0.00 178.15 177.45 1tl6 n LEU 18 N -5.21 -0.84 0.05 1.44 0.00 -0.62 -1.75 117.00 110.08 1tl6 n LEU 18 Ca -0.10 1.69 -0.20 0.00 0.00 0.00 0.00 56.01 57.40 1tl6 n LEU 18 Cb 0.28 -0.29 -0.11 0.00 0.00 0.00 0.00 43.42 43.30 1tl6 n LEU 18 CO 0.31 -1.44 0.07 0.16 0.00 0.00 0.00 177.39 176.49 1tl6 h ILE 19 N 0.00 1.32 -0.02 1.96 3.07 -0.52 -0.87 117.51 122.45 1tl6 h ILE 19 Ca 0.23 -2.28 -0.20 0.00 1.55 0.00 0.00 64.86 64.17 1tl6 h ILE 19 Cb 0.48 2.53 -0.01 0.00 -0.27 0.00 0.00 36.82 39.55 1tl6 h ILE 19 CO -0.93 0.69 -0.84 0.50 -1.05 0.00 0.00 178.15 176.53 1tl6 h LYS 20 N 0.24 0.29 -0.31 0.16 1.63 -1.05 -3.19 116.57 114.33 1tl6 h LYS 20 Ca -0.14 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 1tl6 h LYS 20 Cb 1.68 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.38 1tl6 h LYS 20 CO 0.20 0.97 0.00 1.19 -3.45 0.00 0.00 179.45 178.36 1tl6 n PHE 21 N -3.73 0.65 0.00 1.91 3.72 -0.71 -4.92 117.46 114.38 1tl6 n PHE 21 Ca -0.04 -0.65 0.00 0.00 -0.05 0.00 0.00 57.45 56.71 1tl6 n PHE 21 Cb 0.78 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 1tl6 n PHE 21 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1tl6 n SER 22 N 0.12 0.00 -3.46 4.37 2.88 -0.76 -5.01 113.62 111.76 1tl6 n SER 22 Ca 0.15 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.59 1tl6 n SER 22 Cb 0.61 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.97 1tl6 n SER 22 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1tl6 s ARG 23 N 0.00 0.30 0.14 -1.46 1.81 -0.41 -4.98 118.95 114.35 1tl6 s ARG 23 Ca 0.00 0.60 -0.18 0.00 -1.72 0.00 0.00 55.73 54.43 1tl6 s ARG 23 Cb 0.00 -0.40 0.00 0.00 -0.45 0.00 0.00 34.95 34.11 1tl6 s ARG 23 CO 0.00 -0.54 1.76 1.49 -0.68 0.00 0.00 175.30 177.33 1tl6 h GLU 24 N 8.21 0.25 -0.54 3.54 4.22 -1.85 -3.35 114.58 125.06 1tl6 h GLU 24 Ca -0.18 -0.01 0.17 0.00 0.08 0.00 0.00 59.36 59.42 1tl6 h GLU 24 Cb 1.14 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.24 1tl6 h GLU 24 CO 0.23 0.16 0.09 -0.40 -2.18 0.00 0.00 179.01 176.91 1tl6 n ASP 25 N -5.00 0.00 0.11 1.04 5.75 -1.26 -0.55 116.55 116.64 1tl6 n ASP 25 Ca -0.01 0.92 -0.13 0.00 -0.01 0.00 0.00 54.79 55.56 1tl6 n ASP 25 Cb 0.09 -0.36 -0.08 0.00 -1.03 0.00 0.00 41.12 39.73 1tl6 n ASP 25 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1tl6 h ILE 26 N 0.00 0.89 0.00 2.12 2.04 -1.92 -3.25 117.51 117.39 1tl6 h ILE 26 Ca 0.36 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1tl6 h ILE 26 Cb 0.82 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1tl6 h ILE 26 CO -0.49 0.12 0.00 0.55 0.00 0.00 0.00 178.15 178.33 1tl6 n VAL 27 N -5.09 1.92 0.28 1.67 3.14 0.29 -2.55 118.33 117.99 1tl6 n VAL 27 Ca -0.09 0.48 -0.15 0.00 -2.96 0.00 0.00 64.34 61.62 1tl6 n VAL 27 Cb 0.21 -1.46 -0.08 0.00 -1.06 0.00 0.00 33.84 31.45 1tl6 n VAL 27 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1tl6 h GLU 28 N 0.00 -0.69 -6.17 1.45 5.08 -1.10 -3.42 114.58 109.74 1tl6 h GLU 28 Ca 0.00 0.05 -0.56 0.00 -1.00 0.00 0.00 59.36 57.84 1tl6 h GLU 28 Cb 0.02 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1tl6 h GLU 28 CO 0.00 -0.38 -0.34 -0.80 -1.00 0.00 0.00 179.01 176.49 1tl6 s ASN 29 N -4.70 6.43 -0.06 1.42 0.01 -1.24 -5.02 114.94 111.78 1tl6 s ASN 29 Ca -0.15 0.47 0.10 0.00 -0.71 0.00 0.00 52.86 52.57 1tl6 s ASN 29 Cb 0.02 -2.04 -0.23 0.00 0.41 0.00 0.00 41.25 39.41 1tl6 s ASN 29 CO 0.53 0.02 0.61 0.54 -1.51 0.00 0.00 177.10 177.28 1tl6 n ARG 30 N -0.26 0.65 0.09 -0.60 1.74 -1.26 -2.85 116.66 114.17 1tl6 n ARG 30 Ca -0.04 0.28 0.07 0.00 -0.77 0.00 0.00 57.85 57.40 1tl6 n ARG 30 Cb 0.53 -1.77 0.35 0.00 -1.02 0.00 0.00 32.46 30.54 1tl6 n ARG 30 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tl6 n ALA 31 N -2.61 1.11 -0.11 7.54 0.00 -1.26 -0.72 120.51 124.46 1tl6 n ALA 31 Ca -0.19 0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 1tl6 n ALA 31 Cb 1.06 -1.20 -0.10 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.94 1.88 -0.33 0.00 3.02 -1.18 -3.15 115.26 113.57 1tl6 n ASN 32 Ca -0.00 0.42 0.25 0.00 -0.03 0.00 0.00 54.58 55.22 1tl6 n ASN 32 Cb 0.04 -0.91 0.48 0.00 -0.61 0.00 0.00 39.78 38.79 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 -1.00 0.82 -0.19 3.10 3.57 -1.23 -2.59 116.94 119.42 1tl6 h PHE 33 Ca -0.38 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.00 1tl6 h PHE 33 Cb 1.28 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.83 1tl6 h PHE 33 CO -0.01 -0.28 -0.51 0.82 -2.23 0.00 0.00 178.31 176.11 1tl6 h ILE 34 N 0.21 1.32 -0.55 1.41 5.03 -1.04 -2.05 117.51 121.84 1tl6 h ILE 34 Ca 0.75 -1.75 0.10 0.00 -0.12 0.00 0.00 64.86 63.84 1tl6 h ILE 34 Cb 1.77 1.92 -0.11 0.00 -3.03 0.00 0.00 36.82 37.37 1tl6 h ILE 34 CO -0.67 0.54 -0.31 0.00 -0.68 0.00 0.00 178.15 177.04 1tl6 h ALA 35 N 0.58 -0.01 0.00 1.87 0.00 -1.41 -0.65 119.26 119.63 1tl6 h ALA 35 Ca -0.01 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1tl6 h ALA 35 Cb 1.13 0.72 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 1tl6 h ALA 35 CO 0.11 -0.65 -0.03 0.74 0.00 0.00 0.00 179.25 179.42 1tl6 h PHE 36 N -0.16 0.00 0.00 0.00 -1.00 -1.25 -0.86 116.94 113.66 1tl6 h PHE 36 Ca 0.23 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.88 1tl6 h PHE 36 Cb 0.54 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.08 1tl6 h PHE 36 CO -0.59 0.03 -0.61 -0.07 -1.61 0.00 0.00 178.31 175.45 1tl6 h LEU 37 N 0.00 0.00 -1.20 1.54 3.38 -0.84 -3.14 115.31 115.05 1tl6 h LEU 37 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1tl6 h LEU 37 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1tl6 h LEU 37 CO 0.00 0.61 -0.25 0.78 0.09 0.00 0.00 178.44 179.68 1tl6 h ASN 38 N 0.00 0.23 0.29 -0.43 2.35 0.34 -1.97 115.58 116.38 1tl6 h ASN 38 Ca -0.01 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1tl6 h ASN 38 Cb 1.38 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.68 1tl6 h ASN 38 CO 0.08 0.49 -0.18 -0.08 -1.65 0.00 0.00 177.43 176.09 1tl6 h GLU 39 N 0.21 -0.43 -1.03 0.81 4.81 -1.46 -1.94 114.58 115.54 1tl6 h GLU 39 Ca 0.03 0.03 0.29 0.00 -0.13 0.00 0.00 59.36 59.58 1tl6 h GLU 39 Cb 0.57 0.10 -0.13 0.00 0.63 0.00 0.00 28.75 29.92 1tl6 h GLU 39 CO 0.04 -0.29 0.61 0.82 -0.73 0.00 0.00 179.01 179.46 1tl6 h ILE 40 N -0.45 0.41 -1.15 2.32 2.04 -1.53 -3.46 117.51 115.69 1tl6 h ILE 40 Ca -0.03 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1tl6 h ILE 40 Cb 0.37 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1tl6 h ILE 40 CO 0.03 0.08 0.00 0.61 0.00 0.00 0.00 178.15 178.87 1tl6 n GLY 41 N -1.34 0.79 3.46 5.37 0.00 -0.73 -4.99 105.19 107.75 1tl6 n GLY 41 Ca 0.29 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 1tl6 n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1tl6 s VAL 42 N -2.81 4.29 0.03 1.61 -7.23 -1.18 -4.97 120.40 110.14 1tl6 s VAL 42 Ca 0.00 -0.40 0.00 0.00 -1.81 0.00 0.00 61.98 59.77 1tl6 s VAL 42 Cb 0.00 -4.72 0.00 0.00 0.56 0.00 0.00 36.38 32.22 1tl6 s VAL 42 CO 0.00 -1.51 0.03 0.35 -0.31 0.00 0.00 175.10 173.66 1tl6 n THR 43 N 5.95 0.00 0.00 5.32 -2.24 -1.26 -4.39 114.28 117.67 1tl6 n THR 43 Ca -0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1tl6 n THR 43 Cb 0.46 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 1tl6 n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tl6 n HIS 44 N -0.91 0.00 -2.52 4.78 1.44 -1.24 -5.02 115.22 111.75 1tl6 n HIS 44 Ca 0.01 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.28 1tl6 n HIS 44 Cb 0.03 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.14 1tl6 n HIS 44 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1tl6 n GLU 45 N 0.00 3.23 0.00 -1.40 2.13 -1.26 -4.56 120.64 118.77 1tl6 n GLU 45 Ca 0.00 -3.34 0.00 0.00 0.66 0.00 0.00 57.16 54.48 1tl6 n GLU 45 Cb 0.00 -3.30 0.00 0.00 0.27 0.00 0.00 31.44 28.41 1tl6 n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tl6 n GLY 46 N 4.62 2.77 0.00 8.31 0.00 -1.26 -4.92 105.19 114.71 1tl6 n GLY 46 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1tl6 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tl6 n ARG 47 N -1.98 1.21 -1.96 1.61 1.74 -1.26 -5.17 116.66 110.85 1tl6 n ARG 47 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1tl6 n ARG 47 Cb 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.48 1tl6 n ARG 47 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1tl6 n LYS 48 N 0.00 0.67 -3.57 5.56 4.76 -1.26 -3.71 118.16 120.61 1tl6 n LYS 48 Ca 0.00 -1.61 -0.37 0.00 -2.87 0.00 0.00 58.31 53.46 1tl6 n LYS 48 Cb 0.00 -0.17 -0.10 0.00 -1.84 0.00 0.00 35.03 32.92 1tl6 n LYS 48 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1tl6 s LEU 49 N 0.00 4.08 0.39 -0.35 1.98 -1.26 -4.81 118.68 118.71 1tl6 s LEU 49 Ca 0.33 0.15 0.08 0.00 -2.89 0.00 0.00 54.13 51.80 1tl6 s LEU 49 Cb -0.02 -2.21 -0.03 0.00 0.66 0.00 0.00 46.19 44.59 1tl6 s LEU 49 CO 0.21 -0.02 0.26 0.20 -1.89 0.00 0.00 176.35 175.12 1tl6 s ASN 50 N 1.33 4.83 0.28 3.68 0.01 -1.26 -4.84 114.94 118.97 1tl6 s ASN 50 Ca 0.10 -0.81 0.14 0.00 -0.71 0.00 0.00 52.86 51.58 1tl6 s ASN 50 Cb -0.15 -0.63 0.22 0.00 0.41 0.00 0.00 41.25 41.11 1tl6 s ASN 50 CO 0.07 -0.51 1.51 0.06 -1.51 0.00 0.00 177.10 176.73 1tl6 h GLN 51 N 1.27 0.00 -0.00 -0.60 3.07 -1.96 -3.22 115.11 113.66 1tl6 h GLN 51 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.31 1tl6 h GLN 51 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.82 1tl6 h GLN 51 CO 0.62 0.56 -0.15 0.09 0.09 0.00 0.00 178.83 180.04 1tl6 n ASN 52 N -3.38 0.55 -0.41 0.06 3.02 -1.26 -4.55 115.26 109.29 1tl6 n ASN 52 Ca 0.01 -0.56 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 1tl6 n ASN 52 Cb 0.70 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 1tl6 n ASN 52 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1tl6 n SER 53 N -0.96 0.80 0.10 6.41 3.41 -1.22 -4.43 113.62 117.72 1tl6 n SER 53 Ca 0.13 -1.93 -0.13 0.00 -0.26 0.00 0.00 58.87 56.68 1tl6 n SER 53 Cb 0.30 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 63.77 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 0.03 -0.20 -1.08 7.33 -5.15 -1.87 -2.45 116.94 113.55 1tl6 h PHE 54 Ca 0.00 -0.00 0.30 0.00 -0.20 0.00 0.00 57.97 58.06 1tl6 h PHE 54 Cb 0.40 0.07 -0.11 0.00 0.22 0.00 0.00 35.95 36.52 1tl6 h PHE 54 CO 0.00 0.05 0.68 -0.09 -2.00 0.00 0.00 178.31 176.95 1tl6 h ARG 55 N -0.43 0.35 0.00 6.09 2.43 -1.99 -0.77 114.38 120.06 1tl6 h ARG 55 Ca -0.02 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1tl6 h ARG 55 Cb 0.34 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1tl6 h ARG 55 CO 0.04 0.23 -0.12 0.87 -1.51 0.00 0.00 179.97 179.48 1tl6 h LYS 56 N 0.36 0.00 0.00 0.20 1.79 -1.78 -3.04 116.57 114.10 1tl6 h LYS 56 Ca 0.66 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 59.06 1tl6 h LYS 56 Cb 1.67 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.31 1tl6 h LYS 56 CO -0.38 0.10 -0.63 0.82 -1.08 0.00 0.00 179.45 178.27 1tl6 h ILE 57 N 0.00 0.42 0.00 1.86 2.04 -1.20 -3.42 117.51 117.20 1tl6 h ILE 57 Ca -0.00 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.40 1tl6 h ILE 57 Cb 1.08 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1tl6 h ILE 57 CO 0.01 0.14 -0.65 -0.37 0.00 0.00 0.00 178.15 177.29 1tl6 h VAL 58 N -1.00 0.00 0.00 1.67 -1.51 -1.20 -3.21 116.25 111.01 1tl6 h VAL 58 Ca -0.11 -0.75 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 1tl6 h VAL 58 Cb 0.72 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 1tl6 h VAL 58 CO -0.07 0.00 -0.56 -1.28 -1.23 0.00 0.00 177.57 174.44 1tl6 h SER 59 N 0.00 0.00 0.87 4.19 0.87 -1.76 -3.16 113.55 114.56 1tl6 h SER 59 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1tl6 h SER 59 Cb 0.87 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1tl6 h SER 59 CO 0.00 0.04 0.00 -0.62 -0.53 0.00 0.00 176.83 175.72 1tl6 n GLU 60 N -2.47 0.03 -4.40 2.24 -0.58 -1.21 -4.71 120.64 109.55 1tl6 n GLU 60 Ca 0.03 0.12 -0.35 0.00 -0.42 0.00 0.00 57.16 56.54 1tl6 n GLU 60 Cb 0.49 -1.54 -0.10 0.00 -0.57 0.00 0.00 31.44 29.71 1tl6 n GLU 60 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1tl6 s LEU 61 N -3.20 3.49 0.00 -4.62 1.43 -1.19 -5.08 118.68 109.50 1tl6 s LEU 61 Ca 0.11 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1tl6 s LEU 61 Cb 0.15 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.57 1tl6 s LEU 61 CO 0.45 0.34 0.00 0.35 0.23 0.00 0.00 176.35 177.71 1tl6 n THR 62 N 2.42 0.00 0.34 5.49 -2.24 -1.26 -4.96 114.28 114.06 1tl6 n THR 62 Ca -0.18 0.00 0.22 0.00 -2.27 0.00 0.00 64.05 61.81 1tl6 n THR 62 Cb 0.53 -0.80 1.16 0.00 -2.10 0.00 0.00 70.33 69.12 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 0.00 0.00 -0.78 4.20 -2.00 -3.24 115.11 113.29 1tl6 h GLN 63 Ca 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1tl6 h GLN 63 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1tl6 h GLN 63 CO 0.00 0.00 -0.32 1.49 -0.67 0.00 0.00 178.83 179.33 1tl6 h GLU 64 N 0.00 0.00 0.14 1.46 4.81 -2.01 -2.80 114.58 116.18 1tl6 h GLU 64 Ca 0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1tl6 h GLU 64 Cb 0.09 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1tl6 h GLU 64 CO -0.00 0.32 -0.16 0.38 -0.73 0.00 0.00 179.01 178.82 1tl6 h ASP 65 N 0.00 -0.43 -0.55 1.04 2.03 -1.94 -2.15 116.42 114.42 1tl6 h ASP 65 Ca -0.00 0.05 0.11 0.00 -0.73 0.00 0.00 57.03 56.45 1tl6 h ASP 65 Cb 0.66 0.16 -0.11 0.00 -0.83 0.00 0.00 39.33 39.20 1tl6 h ASP 65 CO 0.04 -0.24 -0.20 0.50 -1.03 0.00 0.00 179.24 178.31 1tl6 h LYS 66 N -0.34 -0.07 0.01 4.15 3.64 -1.72 0.22 116.57 122.46 1tl6 h LYS 66 Ca 0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1tl6 h LYS 66 Cb 0.33 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1tl6 h LYS 66 CO -0.06 -0.05 -0.00 -0.22 -2.27 0.00 0.00 179.45 176.85 1tl6 h LYS 67 N -0.07 -0.01 -0.56 1.90 1.63 -1.46 -2.98 116.57 115.02 1tl6 h LYS 67 Ca 0.26 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 60.11 1tl6 h LYS 67 Cb 0.47 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.03 1tl6 h LYS 67 CO -0.60 0.48 -0.33 2.41 -3.45 0.00 0.00 179.45 177.96 1tl6 n THR 68 N -4.86 -0.38 -0.32 1.00 -1.04 -0.82 -1.94 114.28 105.92 1tl6 n THR 68 Ca -0.08 1.95 0.06 0.00 -2.04 0.00 0.00 64.05 63.94 1tl6 n THR 68 Cb 0.25 -2.47 0.14 0.00 -1.82 0.00 0.00 70.33 66.43 1tl6 n THR 68 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1tl6 n LEU 69 N -4.27 -0.31 0.09 -4.42 7.94 0.78 -2.40 117.00 114.41 1tl6 n LEU 69 Ca 0.01 1.55 -0.03 0.00 -1.11 0.00 0.00 56.01 56.42 1tl6 n LEU 69 Cb 0.15 -0.47 -0.06 0.00 0.53 0.00 0.00 43.42 43.56 1tl6 n LEU 69 CO -0.09 -1.49 0.27 0.40 -1.11 0.00 0.00 177.39 175.37 1tl6 h ILE 70 N 0.00 1.39 0.12 1.96 2.04 -1.28 0.10 117.51 121.84 1tl6 h ILE 70 Ca 0.44 -2.96 -0.28 0.00 1.00 0.00 0.00 64.86 63.06 1tl6 h ILE 70 Cb 0.69 2.68 0.01 0.00 -0.74 0.00 0.00 36.82 39.47 1tl6 h ILE 70 CO -0.92 0.79 -1.22 -0.78 0.00 0.00 0.00 178.15 176.02 1tl6 h ASP 71 N 0.00 0.57 0.04 1.72 1.82 -1.02 -3.16 116.42 116.40 1tl6 h ASP 71 Ca -0.01 -0.57 -0.29 0.00 -0.39 0.00 0.00 57.03 55.77 1tl6 h ASP 71 Cb 1.62 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 41.42 1tl6 h ASP 71 CO 0.10 1.42 -1.62 1.21 -1.61 0.00 0.00 179.24 178.75 1tl6 n GLU 72 N -3.64 0.64 -3.31 0.28 2.13 -1.02 -4.81 120.64 110.90 1tl6 n GLU 72 Ca -0.10 0.44 -0.25 0.00 0.66 0.00 0.00 57.16 57.91 1tl6 n GLU 72 Cb 1.00 -1.72 -0.08 0.00 0.27 0.00 0.00 31.44 30.91 1tl6 n GLU 72 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1tl6 n PHE 73 N -4.06 0.16 0.06 4.31 7.35 0.02 -4.87 117.46 120.43 1tl6 n PHE 73 Ca -0.34 -3.60 -0.04 0.00 -0.76 0.00 0.00 57.45 52.71 1tl6 n PHE 73 Cb 0.83 -0.22 0.16 0.00 0.35 0.00 0.00 39.48 40.60 1tl6 n PHE 73 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 1tl6 h ASN 74 N 4.55 0.36 -0.94 -2.13 -1.24 -1.65 -3.14 115.58 111.38 1tl6 h ASN 74 Ca 0.14 -0.17 0.18 0.00 0.71 0.00 0.00 56.30 57.17 1tl6 h ASN 74 Cb 0.85 -0.10 -0.08 0.00 0.73 0.00 0.00 38.32 39.72 1tl6 h ASN 74 CO 0.50 0.77 0.60 -0.08 -1.29 0.00 0.00 177.43 177.93 1tl6 h GLU 75 N 0.27 0.62 -0.15 6.67 4.81 -1.90 0.53 114.58 125.43 1tl6 h GLU 75 Ca 0.02 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1tl6 h GLU 75 Cb 0.92 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 1tl6 h GLU 75 CO 0.08 0.41 -0.02 0.78 -0.73 0.00 0.00 179.01 179.52 1tl6 h GLY 76 N 0.64 0.30 0.95 1.92 0.00 -1.93 -1.90 103.07 103.05 1tl6 h GLY 76 Ca 0.50 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 1tl6 h GLY 76 CO -0.25 0.22 -0.05 -2.75 0.00 0.00 0.00 176.54 173.70 1tl6 h PHE 77 N -0.01 -0.13 -0.52 5.60 3.57 -1.47 -1.42 116.94 122.55 1tl6 h PHE 77 Ca 0.04 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.62 1tl6 h PHE 77 Cb 0.43 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.15 1tl6 h PHE 77 CO 0.04 -0.04 0.16 1.49 -2.23 0.00 0.00 178.31 177.73 1tl6 h GLU 78 N -0.19 0.31 0.82 1.11 4.81 -0.97 0.11 114.58 120.58 1tl6 h GLU 78 Ca -0.01 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1tl6 h GLU 78 Cb 0.15 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.47 1tl6 h GLU 78 CO 0.02 0.21 -0.39 0.78 -0.73 0.00 0.00 179.01 178.90 1tl6 h GLY 79 N 0.32 -1.15 1.19 1.92 0.00 -1.29 -3.11 103.07 100.95 1tl6 h GLY 79 Ca 0.26 0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.98 1tl6 h GLY 79 CO -0.29 -0.42 0.29 -0.24 0.00 0.00 0.00 176.54 175.89 1tl6 h VAL 80 N -1.22 1.24 -0.77 4.60 3.04 -1.19 -2.96 116.25 118.99 1tl6 h VAL 80 Ca -0.11 -0.73 0.11 0.00 -1.01 0.00 0.00 66.70 64.95 1tl6 h VAL 80 Cb 0.84 0.38 -0.08 0.00 -2.01 0.00 0.00 31.29 30.42 1tl6 h VAL 80 CO 0.18 0.30 0.40 0.22 -1.01 0.00 0.00 177.57 177.66 1tl6 h TYR 81 N 1.02 0.71 -0.54 3.17 3.20 -0.86 0.23 116.97 123.90 1tl6 h TYR 81 Ca 0.24 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.15 1tl6 h TYR 81 Cb 0.18 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 1tl6 h TYR 81 CO 0.02 0.23 0.35 -0.09 -1.64 0.00 0.00 178.16 177.03 1tl6 h ARG 82 N 0.64 0.70 -0.65 1.82 2.43 -1.46 -2.36 114.38 115.50 1tl6 h ARG 82 Ca 0.39 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.45 1tl6 h ARG 82 Cb 0.45 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1tl6 h ARG 82 CO -0.30 0.46 0.14 -0.92 -1.51 0.00 0.00 179.97 177.85 1tl6 h TYR 83 N 0.72 1.09 0.24 2.20 5.03 -0.99 -1.21 116.97 124.05 1tl6 h TYR 83 Ca 0.20 -0.13 -0.01 0.00 2.58 0.00 0.00 58.73 61.37 1tl6 h TYR 83 Cb -0.07 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 37.90 1tl6 h TYR 83 CO -0.04 0.90 -0.11 -0.07 -1.32 0.00 0.00 178.16 177.52 1tl6 h LEU 84 N 0.98 -0.27 -0.63 2.82 3.38 -0.41 0.14 115.31 121.32 1tl6 h LEU 84 Ca 0.20 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 1tl6 h LEU 84 Cb 0.38 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1tl6 h LEU 84 CO 0.00 -0.17 -0.62 -0.08 0.09 0.00 0.00 178.44 177.67 1tl6 h GLU 85 N -0.34 0.00 0.22 1.13 4.81 -1.43 -1.10 114.58 117.86 1tl6 h GLU 85 Ca -0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1tl6 h GLU 85 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1tl6 h GLU 85 CO 0.05 0.62 -0.11 1.98 -0.73 0.00 0.00 179.01 180.82 1tl6 h MET 86 N 0.00 -0.29 0.00 1.92 4.05 -1.13 -3.44 114.93 116.04 1tl6 h MET 86 Ca -0.01 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1tl6 h MET 86 Cb 1.18 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 32.04 1tl6 h MET 86 CO 0.08 -0.20 -0.04 0.66 0.23 0.00 0.00 176.91 177.64 1tl6 n TYR 87 N -2.85 0.01 -3.54 1.39 4.02 0.47 -5.07 117.16 111.59 1tl6 n TYR 87 Ca -0.04 0.01 -0.15 0.00 -0.01 0.00 0.00 57.90 57.71 1tl6 n TYR 87 Cb 0.12 -0.10 -0.12 0.00 -0.02 0.00 0.00 39.34 39.22 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 -1.08 -0.39 -0.74 -0.72 -1.32 -0.42 -5.00 115.64 105.97 1tl6 s THR 88 Ca -0.01 0.06 -0.19 0.00 -1.21 0.00 0.00 61.69 60.33 1tl6 s THR 88 Cb 0.00 -0.59 0.12 0.00 -1.51 0.00 0.00 72.50 70.52 1tl6 s THR 88 CO 0.02 -0.06 0.90 0.20 -2.21 0.00 0.00 174.62 173.47 1tl6 s ASN 89 N 2.39 6.39 0.00 8.08 0.01 -1.24 -4.35 114.94 126.22 1tl6 s ASN 89 Ca 0.05 -1.68 0.20 0.00 -0.71 0.00 0.00 52.86 50.73 1tl6 s ASN 89 Cb -0.14 -2.35 0.16 0.00 0.41 0.00 0.00 41.25 39.33 1tl6 s ASN 89 CO -0.11 -1.11 1.14 0.29 -1.51 0.00 0.00 177.10 175.80