#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tl6 n LYS 3 N 0.00 0.00 0.01 3.52 4.81 -1.26 -4.82 118.16 120.41 1tl6 n LYS 3 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 1tl6 n LYS 3 Cb 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 34.94 1tl6 n LYS 3 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1tl6 n ASN 4 N -0.40 0.87 0.04 3.14 3.02 -1.26 -3.18 115.26 117.47 1tl6 n ASN 4 Ca 0.00 0.39 -0.09 0.00 -0.03 0.00 0.00 54.58 54.85 1tl6 n ASN 4 Cb 0.00 0.06 -0.07 0.00 -0.61 0.00 0.00 39.78 39.17 1tl6 n ASN 4 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1tl6 h ILE 5 N 0.00 0.72 -0.96 2.41 5.03 -1.93 -1.84 117.51 120.94 1tl6 h ILE 5 Ca -0.21 -1.20 0.09 0.00 -0.12 0.00 0.00 64.86 63.42 1tl6 h ILE 5 Cb 1.77 1.25 -0.12 0.00 -3.03 0.00 0.00 36.82 36.69 1tl6 h ILE 5 CO 0.06 0.20 -0.59 -0.78 -0.68 0.00 0.00 178.15 176.37 1tl6 h ASP 6 N -0.94 -2.14 -0.80 1.72 3.58 -1.88 0.29 116.42 116.25 1tl6 h ASP 6 Ca -0.02 0.32 0.10 0.00 0.42 0.00 0.00 57.03 57.85 1tl6 h ASP 6 Cb 0.48 0.94 -0.06 0.00 1.72 0.00 0.00 39.33 42.42 1tl6 h ASP 6 CO 0.03 -0.24 0.52 0.74 -2.88 0.00 0.00 179.24 177.41 1tl6 h THR 7 N -0.03 0.95 0.09 2.25 2.02 -1.58 0.31 112.91 116.92 1tl6 h THR 7 Ca 0.15 -0.25 -0.33 0.00 0.77 0.00 0.00 66.41 66.75 1tl6 h THR 7 Cb 0.42 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1tl6 h THR 7 CO -0.91 0.14 -1.77 0.58 0.37 0.00 0.00 175.52 173.93 1tl6 h VAL 8 N 0.74 0.86 0.00 3.16 2.07 -0.91 -3.16 116.25 119.02 1tl6 h VAL 8 Ca 0.37 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 65.30 1tl6 h VAL 8 Cb 0.44 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1tl6 h VAL 8 CO -0.14 0.77 0.00 -2.11 0.02 0.00 0.00 177.57 176.10 1tl6 n ARG 9 N -3.36 0.07 0.31 1.57 1.85 0.98 -1.61 116.66 116.46 1tl6 n ARG 9 Ca -0.23 0.10 -0.15 0.00 -1.00 0.00 0.00 57.85 56.57 1tl6 n ARG 9 Cb 1.05 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.88 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 0.00 -0.76 -0.69 2.89 4.57 -0.41 -1.18 114.58 119.00 1tl6 h GLU 10 Ca 0.00 0.05 0.14 0.00 -1.18 0.00 0.00 59.36 58.38 1tl6 h GLU 10 Cb 0.36 0.17 -0.13 0.00 -0.16 0.00 0.00 28.75 28.99 1tl6 h GLU 10 CO 0.00 -0.45 -0.12 0.82 -1.18 0.00 0.00 179.01 178.08 1tl6 h ILE 11 N -1.02 0.34 0.13 2.32 2.04 -1.41 0.42 117.51 120.32 1tl6 h ILE 11 Ca -0.08 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1tl6 h ILE 11 Cb 0.67 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1tl6 h ILE 11 CO 0.13 0.01 -0.06 0.40 0.00 0.00 0.00 178.15 178.63 1tl6 h ILE 12 N 0.03 1.04 0.08 -0.67 2.04 -1.37 -0.87 117.51 117.79 1tl6 h ILE 12 Ca 0.35 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 1tl6 h ILE 12 Cb 0.56 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1tl6 h ILE 12 CO -0.68 0.22 -0.04 0.74 0.00 0.00 0.00 178.15 178.39 1tl6 h THR 13 N -0.64 0.96 0.00 -0.27 2.02 -0.93 -2.37 112.91 111.67 1tl6 h THR 13 Ca -0.02 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1tl6 h THR 13 Cb 0.49 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1tl6 h THR 13 CO 0.03 0.03 0.00 0.55 0.37 0.00 0.00 175.52 176.50 1tl6 n VAL 14 N -5.11 0.15 0.11 3.16 3.14 0.11 -1.28 118.33 118.62 1tl6 n VAL 14 Ca -0.08 0.04 -0.18 0.00 -2.96 0.00 0.00 64.34 61.16 1tl6 n VAL 14 Cb 0.09 -0.58 -0.14 0.00 -1.06 0.00 0.00 33.84 32.15 1tl6 n VAL 14 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1tl6 h ALA 15 N 2.93 0.04 -0.06 1.55 0.00 -1.00 -3.04 119.26 119.69 1tl6 h ALA 15 Ca 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 54.91 53.95 1tl6 h ALA 15 Cb 0.46 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1tl6 h ALA 15 CO 0.00 0.91 -0.26 1.03 0.00 0.00 0.00 179.25 180.94 1tl6 h SER 16 N 0.09 0.33 -0.76 0.00 0.87 -0.70 -1.31 113.55 112.07 1tl6 h SER 16 Ca -0.16 -0.64 0.09 0.00 -1.23 0.00 0.00 61.79 59.85 1tl6 h SER 16 Cb 2.02 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 63.83 1tl6 h SER 16 CO 0.22 0.92 0.50 0.40 -0.53 0.00 0.00 176.83 178.33 1tl6 h ILE 17 N -0.23 0.95 0.70 2.23 2.04 -1.34 -1.62 117.51 120.24 1tl6 h ILE 17 Ca -0.01 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 1tl6 h ILE 17 Cb 0.90 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1tl6 h ILE 17 CO 0.05 0.13 -0.34 0.25 0.00 0.00 0.00 178.15 178.24 1tl6 h LEU 18 N 0.69 -0.79 -0.02 1.44 7.12 -1.38 -3.41 115.31 118.97 1tl6 h LEU 18 Ca 0.35 0.03 -0.26 0.00 0.13 0.00 0.00 57.88 58.12 1tl6 h LEU 18 Cb 0.43 0.21 0.01 0.00 -0.53 0.00 0.00 40.66 40.77 1tl6 h LEU 18 CO -0.13 -0.54 -1.10 0.16 -0.13 0.00 0.00 178.44 176.70 1tl6 h ILE 19 N -1.00 1.38 -0.04 4.05 3.07 -0.85 -2.78 117.51 121.34 1tl6 h ILE 19 Ca -0.10 -2.58 0.02 0.00 1.55 0.00 0.00 64.86 63.75 1tl6 h ILE 19 Cb 0.72 2.61 -0.04 0.00 -0.27 0.00 0.00 36.82 39.84 1tl6 h ILE 19 CO 0.16 0.77 -0.40 0.11 -1.05 0.00 0.00 178.15 177.74 1tl6 h LYS 20 N 0.22 -0.46 -2.68 0.16 1.57 -1.52 -3.04 116.57 110.82 1tl6 h LYS 20 Ca -0.13 0.03 -0.68 0.00 -1.87 0.00 0.00 60.65 58.01 1tl6 h LYS 20 Cb 1.77 0.10 -0.37 0.00 0.08 0.00 0.00 32.23 33.81 1tl6 h LYS 20 CO 0.20 -0.31 -0.14 0.34 -0.57 0.00 0.00 179.45 178.97 1tl6 n PHE 21 N -4.70 3.40 0.00 -1.35 7.35 -1.26 -4.88 117.46 116.03 1tl6 n PHE 21 Ca -0.05 -3.77 0.00 0.00 -0.76 0.00 0.00 57.45 52.87 1tl6 n PHE 21 Cb 0.29 -0.86 0.00 0.00 0.35 0.00 0.00 39.48 39.26 1tl6 n PHE 21 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1tl6 n SER 22 N 1.35 0.00 -4.23 -2.13 2.88 -1.05 -4.89 113.62 105.56 1tl6 n SER 22 Ca 0.26 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.62 1tl6 n SER 22 Cb 0.38 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.72 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 0.49 0.97 0.20 -1.46 1.81 -1.24 -4.98 118.95 114.75 1tl6 s ARG 23 Ca 0.00 -1.14 0.21 0.00 -1.72 0.00 0.00 55.73 53.08 1tl6 s ARG 23 Cb 0.00 -0.95 0.01 0.00 -0.45 0.00 0.00 34.95 33.56 1tl6 s ARG 23 CO 0.00 0.20 1.08 1.49 -0.68 0.00 0.00 175.30 177.39 1tl6 h GLU 24 N 3.84 0.00 -0.18 3.54 4.81 -1.95 -3.38 114.58 121.26 1tl6 h GLU 24 Ca -0.41 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 58.87 1tl6 h GLU 24 Cb 1.19 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1tl6 h GLU 24 CO 0.46 0.11 0.71 -0.44 -0.73 0.00 0.00 179.01 179.11 1tl6 h ASP 25 N 0.00 0.00 0.00 1.04 3.32 -1.97 0.24 116.42 119.05 1tl6 h ASP 25 Ca -0.04 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1tl6 h ASP 25 Cb 1.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 1tl6 h ASP 25 CO 0.02 0.00 -0.16 0.40 -1.72 0.00 0.00 179.24 177.77 1tl6 h ILE 26 N 0.00 1.45 0.00 0.35 1.08 -1.94 -3.38 117.51 115.06 1tl6 h ILE 26 Ca 0.09 -2.14 0.00 0.00 -0.39 0.00 0.00 64.86 62.41 1tl6 h ILE 26 Cb 1.50 2.79 0.00 0.00 -3.07 0.00 0.00 36.82 38.04 1tl6 h ILE 26 CO -0.00 0.49 0.00 1.33 -0.69 0.00 0.00 178.15 179.28 1tl6 n VAL 27 N -4.61 0.62 0.50 1.67 0.24 0.67 -2.08 118.33 115.35 1tl6 n VAL 27 Ca -0.11 0.16 0.11 0.00 -2.04 0.00 0.00 64.34 62.45 1tl6 n VAL 27 Cb 0.44 -0.96 0.45 0.00 -1.47 0.00 0.00 33.84 32.30 1tl6 n VAL 27 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1tl6 n GLU 28 N -1.25 0.16 -3.89 7.34 -0.00 -0.15 -4.74 120.64 118.12 1tl6 n GLU 28 Ca 0.06 0.33 -0.11 0.00 -0.00 0.00 0.00 57.16 57.44 1tl6 n GLU 28 Cb 0.09 -1.77 -0.10 0.00 -0.00 0.00 0.00 31.44 29.65 1tl6 n GLU 28 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 1tl6 s ASN 29 N -4.02 0.06 -0.10 -1.84 2.47 -1.22 -5.09 114.94 105.21 1tl6 s ASN 29 Ca 0.07 -0.27 -0.02 0.00 0.42 0.00 0.00 52.86 53.06 1tl6 s ASN 29 Cb 0.11 0.20 -0.26 0.00 -1.45 0.00 0.00 41.25 39.85 1tl6 s ASN 29 CO 0.42 -0.38 0.46 0.03 -3.72 0.00 0.00 177.10 173.91 1tl6 h ARG 30 N 4.23 0.20 -0.84 0.43 -0.00 -1.86 -2.85 114.38 113.69 1tl6 h ARG 30 Ca -0.31 -0.35 0.20 0.00 -0.50 0.00 0.00 59.98 59.02 1tl6 h ARG 30 Cb 1.19 0.13 -0.12 0.00 0.00 0.00 0.00 29.97 31.17 1tl6 h ARG 30 CO 0.42 1.03 0.30 0.00 0.00 0.00 0.00 179.97 181.72 1tl6 h ALA 31 N 0.32 1.24 0.27 0.04 0.00 -1.98 -3.04 119.26 116.11 1tl6 h ALA 31 Ca -0.38 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1tl6 h ALA 31 Cb 2.03 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 20.00 1tl6 h ALA 31 CO 0.09 -0.34 -0.23 -0.91 0.00 0.00 0.00 179.25 177.86 1tl6 h ASN 32 N 0.35 -0.60 -0.96 0.00 4.21 -1.73 0.13 115.58 116.97 1tl6 h ASN 32 Ca 0.50 0.05 0.11 0.00 1.21 0.00 0.00 56.30 58.17 1tl6 h ASN 32 Cb 0.92 0.20 -0.13 0.00 -1.12 0.00 0.00 38.32 38.19 1tl6 h ASN 32 CO -0.53 -0.34 -0.51 0.33 -1.29 0.00 0.00 177.43 175.09 1tl6 n PHE 33 N -5.35 -0.28 -0.34 1.19 7.35 -0.88 -2.04 117.46 117.11 1tl6 n PHE 33 Ca -0.09 1.20 -0.02 0.00 -0.76 0.00 0.00 57.45 57.78 1tl6 n PHE 33 Cb 0.26 -0.67 0.10 0.00 0.35 0.00 0.00 39.48 39.53 1tl6 n PHE 33 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1tl6 h ILE 34 N 0.00 1.21 -0.07 -2.13 2.04 -1.40 -2.23 117.51 114.93 1tl6 h ILE 34 Ca 0.21 -0.41 -0.11 0.00 1.00 0.00 0.00 64.86 65.55 1tl6 h ILE 34 Cb 0.45 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1tl6 h ILE 34 CO -0.92 0.22 -0.45 0.00 0.00 0.00 0.00 178.15 177.00 1tl6 h ALA 35 N 1.35 1.11 -0.05 1.87 0.00 -0.13 0.00 119.26 123.41 1tl6 h ALA 35 Ca 0.35 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 1tl6 h ALA 35 Cb -0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1tl6 h ALA 35 CO -0.09 0.60 -0.82 0.35 0.00 0.00 0.00 179.25 179.29 1tl6 h PHE 36 N 0.14 0.58 -0.40 0.00 3.04 -1.21 -2.81 116.94 116.29 1tl6 h PHE 36 Ca 0.01 -0.28 0.02 0.00 3.98 0.00 0.00 57.97 61.69 1tl6 h PHE 36 Cb 0.85 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 39.26 1tl6 h PHE 36 CO 0.01 1.07 0.26 -0.07 -2.02 0.00 0.00 178.31 177.56 1tl6 h LEU 37 N 0.26 0.41 -0.01 0.59 3.38 -0.72 -1.89 115.31 117.34 1tl6 h LEU 37 Ca -0.05 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1tl6 h LEU 37 Cb 1.42 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 42.03 1tl6 h LEU 37 CO 0.14 0.29 -0.25 0.78 0.09 0.00 0.00 178.44 179.50 1tl6 h ASN 38 N 0.48 -0.73 -0.75 -0.43 -0.26 -0.95 -3.06 115.58 109.88 1tl6 h ASN 38 Ca 0.15 0.10 0.10 0.00 -0.56 0.00 0.00 56.30 56.10 1tl6 h ASN 38 Cb 0.02 0.30 -0.11 0.00 -1.06 0.00 0.00 38.32 37.47 1tl6 h ASN 38 CO -0.03 -0.31 -0.33 1.21 -1.06 0.00 0.00 177.43 176.90 1tl6 n GLU 39 N -5.37 -0.22 -0.35 0.81 2.13 -0.74 -2.69 120.64 114.22 1tl6 n GLU 39 Ca -0.05 1.15 0.13 0.00 0.66 0.00 0.00 57.16 59.06 1tl6 n GLU 39 Cb 0.28 -1.71 0.33 0.00 0.27 0.00 0.00 31.44 30.61 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 0.68 0.00 6.31 2.04 -1.38 -3.46 117.51 121.70 1tl6 h ILE 40 Ca 0.22 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1tl6 h ILE 40 Cb 0.41 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1tl6 h ILE 40 CO -0.74 0.13 0.00 0.61 0.00 0.00 0.00 178.15 178.16 1tl6 n GLY 41 N -1.33 0.94 3.71 5.37 0.00 -1.09 -5.11 105.19 107.68 1tl6 n GLY 41 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.96 0.23 -3.95 1.61 0.24 -1.20 -5.01 118.33 109.29 1tl6 n VAL 42 Ca 0.00 -0.06 -0.10 0.00 -2.04 0.00 0.00 64.34 62.15 1tl6 n VAL 42 Cb 0.00 -1.82 -0.07 0.00 -1.47 0.00 0.00 33.84 30.48 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 0.82 0.06 0.00 3.34 -4.23 -1.26 -4.34 115.64 110.04 1tl6 s THR 43 Ca 0.74 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1tl6 s THR 43 Cb -0.56 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 71.43 1tl6 s THR 43 CO 0.38 -0.27 0.00 0.00 -0.54 0.00 0.00 174.62 174.18 1tl6 n HIS 44 N -0.23 0.00 -2.19 3.99 1.44 0.31 -4.78 115.22 113.75 1tl6 n HIS 44 Ca -0.07 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.32 1tl6 n HIS 44 Cb 0.63 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.69 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 1.99 0.00 -1.40 -0.58 -1.26 -3.83 120.64 115.56 1tl6 n GLU 45 Ca 0.00 -2.67 0.00 0.00 -0.42 0.00 0.00 57.16 54.07 1tl6 n GLU 45 Cb 0.00 -3.68 0.00 0.00 -0.57 0.00 0.00 31.44 27.19 1tl6 n GLU 45 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tl6 n GLY 46 N 5.69 2.49 3.10 0.62 0.00 -1.26 -5.01 105.19 110.81 1tl6 n GLY 46 Ca 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.74 0.63 0.95 1.61 0.52 -1.25 -5.15 118.95 115.51 1tl6 s ARG 47 Ca 0.00 -1.23 -0.11 0.00 -0.52 0.00 0.00 55.73 53.87 1tl6 s ARG 47 Cb 0.00 0.21 0.16 0.00 0.52 0.00 0.00 34.95 35.85 1tl6 s ARG 47 CO 0.00 -0.12 1.11 0.15 0.02 0.00 0.00 175.30 176.46 1tl6 s LYS 48 N -3.93 0.77 -0.26 3.54 3.01 -1.26 -0.53 119.74 121.07 1tl6 s LYS 48 Ca 0.08 1.30 -0.33 0.00 -1.01 0.00 0.00 55.97 56.02 1tl6 s LYS 48 Cb 0.08 -1.72 -0.14 0.00 -1.01 0.00 0.00 37.83 35.04 1tl6 s LYS 48 CO -0.09 -2.72 1.05 -0.11 0.51 0.00 0.00 175.35 173.99 1tl6 n LEU 49 N -4.27 0.64 0.00 3.17 7.94 -1.26 -4.62 117.00 118.60 1tl6 n LEU 49 Ca 0.09 0.85 -0.05 0.00 -1.11 0.00 0.00 56.01 55.79 1tl6 n LEU 49 Cb 0.53 -0.64 -0.00 0.00 0.53 0.00 0.00 43.42 43.83 1tl6 n LEU 49 CO 0.52 -0.81 0.00 -3.20 -1.11 0.00 0.00 177.39 172.79 1tl6 n ASN 50 N 2.41 1.49 -0.05 1.96 2.85 -1.26 -4.90 115.26 117.76 1tl6 n ASN 50 Ca 0.20 -1.39 -0.14 0.00 -0.11 0.00 0.00 54.58 53.14 1tl6 n ASN 50 Cb -0.02 0.01 -0.12 0.00 1.24 0.00 0.00 39.78 40.88 1tl6 n ASN 50 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1tl6 h GLN 51 N 0.00 0.03 0.00 1.20 4.15 -1.96 -3.35 115.11 115.18 1tl6 h GLN 51 Ca -0.07 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1tl6 h GLN 51 Cb 0.25 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.96 1tl6 h GLN 51 CO 0.11 0.92 0.00 0.09 -1.93 0.00 0.00 178.83 178.03 1tl6 n ASN 52 N -4.62 0.05 0.00 -0.69 3.02 -1.26 -3.46 115.26 108.30 1tl6 n ASN 52 Ca -0.10 0.51 0.06 0.00 -0.03 0.00 0.00 54.58 55.02 1tl6 n ASN 52 Cb 0.46 -0.52 0.35 0.00 -0.61 0.00 0.00 39.78 39.46 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 -1.56 0.00 -0.02 6.41 3.41 -1.26 -3.53 113.62 117.08 1tl6 n SER 53 Ca 0.02 -0.78 -0.13 0.00 -0.26 0.00 0.00 58.87 57.73 1tl6 n SER 53 Cb 0.13 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.98 1tl6 n SER 53 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1tl6 h PHE 54 N 0.00 0.07 -0.98 7.33 3.57 -1.85 -2.75 116.94 122.33 1tl6 h PHE 54 Ca 0.00 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.60 1tl6 h PHE 54 Cb 0.00 -0.01 -0.14 0.00 2.79 0.00 0.00 35.95 38.59 1tl6 h PHE 54 CO 0.00 0.52 -0.49 0.07 -2.23 0.00 0.00 178.31 176.18 1tl6 h ARG 55 N -0.40 -0.01 0.00 1.11 -0.00 -1.89 -1.46 114.38 111.73 1tl6 h ARG 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1tl6 h ARG 55 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.48 1tl6 h ARG 55 CO 0.01 -0.01 0.00 1.17 -0.00 0.00 0.00 179.97 181.14 1tl6 n LYS 56 N -5.36 0.00 -0.17 0.08 3.00 -1.21 -2.60 118.16 111.89 1tl6 n LYS 56 Ca 0.06 0.77 -0.05 0.00 -0.00 0.00 0.00 58.31 59.09 1tl6 n LYS 56 Cb 0.33 -1.38 0.01 0.00 0.00 0.00 0.00 35.03 33.99 1tl6 n LYS 56 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1tl6 h ILE 57 N 0.00 0.22 0.00 3.15 2.04 -1.22 -1.27 117.51 120.44 1tl6 h ILE 57 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1tl6 h ILE 57 Cb 0.00 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.30 1tl6 h ILE 57 CO 0.00 0.00 -0.16 -0.37 0.00 0.00 0.00 178.15 177.62 1tl6 h VAL 58 N -0.17 0.22 0.08 1.67 -1.51 -1.34 -2.28 116.25 112.93 1tl6 h VAL 58 Ca 0.22 -1.32 -0.00 0.00 -1.23 0.00 0.00 66.70 64.37 1tl6 h VAL 58 Cb 0.53 2.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 1tl6 h VAL 58 CO -0.62 0.13 -0.04 0.77 -1.23 0.00 0.00 177.57 176.57 1tl6 h SER 59 N 0.00 -0.09 -1.40 4.19 4.64 -1.22 -3.31 113.55 116.35 1tl6 h SER 59 Ca -0.00 -0.50 0.42 0.00 -0.47 0.00 0.00 61.79 61.24 1tl6 h SER 59 Cb 1.10 0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 63.12 1tl6 h SER 59 CO 0.02 0.57 0.96 -0.33 -0.87 0.00 0.00 176.83 177.17 1tl6 h GLU 60 N -0.87 0.09 -6.15 4.77 4.39 -1.21 -3.39 114.58 112.21 1tl6 h GLU 60 Ca -0.01 -0.01 -0.57 0.00 0.34 0.00 0.00 59.36 59.11 1tl6 h GLU 60 Cb 0.59 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.17 1tl6 h GLU 60 CO 0.02 0.06 0.85 -0.51 -1.16 0.00 0.00 179.01 178.27 1tl6 s LEU 61 N -8.87 4.18 0.00 1.33 1.43 -0.86 -5.01 118.68 110.87 1tl6 s LEU 61 Ca -0.07 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 1tl6 s LEU 61 Cb 0.27 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.95 1tl6 s LEU 61 CO 0.83 -0.71 0.00 0.41 0.23 0.00 0.00 176.35 177.11 1tl6 n THR 62 N 5.26 0.00 0.06 5.49 -1.04 -1.26 -4.86 114.28 117.93 1tl6 n THR 62 Ca 0.13 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.98 1tl6 n THR 62 Cb 0.45 -1.35 -0.14 0.00 -1.82 0.00 0.00 70.33 67.48 1tl6 n THR 62 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1tl6 h GLN 63 N 0.00 0.22 0.09 -2.82 4.20 -1.95 -3.24 115.11 111.62 1tl6 h GLN 63 Ca 0.00 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1tl6 h GLN 63 Cb 0.00 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1tl6 h GLN 63 CO 0.00 1.09 -0.08 1.49 -0.67 0.00 0.00 178.83 180.66 1tl6 h GLU 64 N 0.06 -0.18 -0.52 1.46 4.81 -2.00 -3.03 114.58 115.19 1tl6 h GLU 64 Ca -0.21 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1tl6 h GLU 64 Cb 1.99 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 31.33 1tl6 h GLU 64 CO 0.16 -0.12 0.06 -0.44 -0.73 0.00 0.00 179.01 177.94 1tl6 h ASP 65 N -0.18 -0.10 -0.54 1.04 5.19 -1.93 0.27 116.42 120.17 1tl6 h ASP 65 Ca -0.00 0.11 0.11 0.00 -0.62 0.00 0.00 57.03 56.63 1tl6 h ASP 65 Cb 0.17 0.17 -0.10 0.00 0.18 0.00 0.00 39.33 39.75 1tl6 h ASP 65 CO -0.01 -0.02 -0.14 0.50 -3.12 0.00 0.00 179.24 176.44 1tl6 h LYS 66 N 0.18 -0.00 0.03 3.56 1.63 -1.55 0.23 116.57 120.65 1tl6 h LYS 66 Ca 0.26 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.06 1tl6 h LYS 66 Cb 0.38 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1tl6 h LYS 66 CO -0.38 -0.00 -0.01 -0.22 -3.45 0.00 0.00 179.45 175.38 1tl6 h LYS 67 N -0.00 -0.04 -0.94 1.90 3.11 -1.42 -3.10 116.57 116.08 1tl6 h LYS 67 Ca 0.26 0.00 0.13 0.00 -2.81 0.00 0.00 60.65 58.24 1tl6 h LYS 67 Cb 0.40 0.01 -0.14 0.00 -1.00 0.00 0.00 32.23 31.50 1tl6 h LYS 67 CO -0.56 0.61 -0.40 2.41 -2.81 0.00 0.00 179.45 178.70 1tl6 n THR 68 N -4.72 -0.52 0.00 1.00 -1.04 0.93 -2.35 114.28 107.58 1tl6 n THR 68 Ca -0.07 2.20 0.00 0.00 -2.04 0.00 0.00 64.05 64.14 1tl6 n THR 68 Cb 0.33 -2.88 0.00 0.00 -1.82 0.00 0.00 70.33 65.96 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 -5.34 0.00 0.09 -4.42 7.94 0.79 -1.90 117.00 114.15 1tl6 n LEU 69 Ca 0.08 0.88 -0.02 0.00 -1.11 0.00 0.00 56.01 55.84 1tl6 n LEU 69 Cb 0.35 -0.38 0.23 0.00 0.53 0.00 0.00 43.42 44.15 1tl6 n LEU 69 CO -0.13 -0.38 0.66 0.40 -1.11 0.00 0.00 177.39 176.83 1tl6 h ILE 70 N 0.00 1.30 0.23 1.96 2.04 -1.38 -2.22 117.51 119.44 1tl6 h ILE 70 Ca 0.00 -1.47 -0.33 0.00 1.00 0.00 0.00 64.86 64.06 1tl6 h ILE 70 Cb 0.00 1.63 0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1tl6 h ILE 70 CO 0.00 0.44 -1.48 -0.78 0.00 0.00 0.00 178.15 176.33 1tl6 h ASP 71 N 0.23 0.75 -0.17 1.72 3.58 -1.55 -2.57 116.42 118.41 1tl6 h ASP 71 Ca 0.02 -0.84 -0.06 0.00 0.42 0.00 0.00 57.03 56.57 1tl6 h ASP 71 Cb 0.79 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 1tl6 h ASP 71 CO 0.06 1.66 -0.13 -0.08 -2.88 0.00 0.00 179.24 177.87 1tl6 h GLU 72 N 0.13 0.39 -3.13 0.28 4.81 -0.88 -3.40 114.58 112.78 1tl6 h GLU 72 Ca -0.25 -0.19 -0.55 0.00 -0.13 0.00 0.00 59.36 58.24 1tl6 h GLU 72 Cb 2.14 -0.00 -0.40 0.00 0.63 0.00 0.00 28.75 31.12 1tl6 h GLU 72 CO 0.25 0.73 -0.77 0.12 -0.73 0.00 0.00 179.01 178.62 1tl6 s PHE 73 N -4.41 0.94 -0.03 0.92 5.36 -0.88 -5.01 117.98 114.87 1tl6 s PHE 73 Ca -0.14 -1.27 -0.06 0.00 -0.96 0.00 0.00 56.93 54.50 1tl6 s PHE 73 Cb 0.06 -1.26 -0.29 0.00 -0.34 0.00 0.00 43.02 41.18 1tl6 s PHE 73 CO 0.76 -0.85 0.73 -2.95 -1.46 0.00 0.00 175.22 171.44 1tl6 h ASN 74 N 8.25 0.49 -0.65 6.13 -1.07 -1.69 -3.42 115.58 123.63 1tl6 h ASN 74 Ca -0.17 -0.73 0.14 0.00 0.07 0.00 0.00 56.30 55.60 1tl6 h ASN 74 Cb 1.01 -0.16 -0.11 0.00 -2.07 0.00 0.00 38.32 37.00 1tl6 h ASN 74 CO 0.45 1.62 0.03 -0.08 0.07 0.00 0.00 177.43 179.52 1tl6 h GLU 75 N 0.09 0.14 -0.05 4.14 4.81 -1.95 -0.41 114.58 121.34 1tl6 h GLU 75 Ca -0.30 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 58.75 1tl6 h GLU 75 Cb 2.06 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.40 1tl6 h GLU 75 CO 0.16 0.09 -0.72 0.78 -0.73 0.00 0.00 179.01 178.60 1tl6 h GLY 76 N 0.14 0.30 0.61 1.92 0.00 -1.96 -0.44 103.07 103.65 1tl6 h GLY 76 Ca 0.34 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1tl6 h GLY 76 CO -0.53 0.39 -0.02 -2.75 0.00 0.00 0.00 176.54 173.63 1tl6 h PHE 77 N 0.19 0.08 -0.55 5.60 3.57 -1.51 -1.42 116.94 122.90 1tl6 h PHE 77 Ca -0.02 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1tl6 h PHE 77 Cb 1.28 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 1tl6 h PHE 77 CO 0.03 0.47 0.30 0.93 -2.23 0.00 0.00 178.31 177.81 1tl6 h GLU 78 N -0.34 0.76 -0.88 1.11 5.08 -1.17 -1.84 114.58 117.31 1tl6 h GLU 78 Ca 0.01 -0.09 0.13 0.00 -1.00 0.00 0.00 59.36 58.41 1tl6 h GLU 78 Cb 0.45 -0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 1tl6 h GLU 78 CO 0.00 0.59 0.49 0.78 -1.00 0.00 0.00 179.01 179.87 1tl6 h GLY 79 N 0.73 1.43 1.97 -3.84 0.00 -1.07 -2.43 103.07 99.86 1tl6 h GLY 79 Ca 0.19 -0.30 -0.20 0.00 0.00 0.00 0.00 47.33 47.02 1tl6 h GLY 79 CO -0.03 0.03 -0.94 -0.39 0.00 0.00 0.00 176.54 175.21 1tl6 h VAL 80 N 0.73 1.65 -0.82 4.60 -1.51 -1.06 -3.04 116.25 116.80 1tl6 h VAL 80 Ca 0.46 -3.13 0.04 0.00 -1.23 0.00 0.00 66.70 62.84 1tl6 h VAL 80 Cb 0.58 2.71 -0.05 0.00 -2.13 0.00 0.00 31.29 32.40 1tl6 h VAL 80 CO -0.32 0.90 0.52 0.22 -1.23 0.00 0.00 177.57 177.65 1tl6 h TYR 81 N 0.01 0.96 -0.10 5.19 5.03 -0.88 0.12 116.97 127.31 1tl6 h TYR 81 Ca -0.02 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 1tl6 h TYR 81 Cb 1.65 -0.32 -0.00 0.00 1.55 0.00 0.00 36.73 39.61 1tl6 h TYR 81 CO 0.01 0.53 0.01 0.00 -1.32 0.00 0.00 178.16 177.39 1tl6 h ARG 82 N 0.99 0.16 -0.19 1.82 3.08 -1.50 -2.35 114.38 116.38 1tl6 h ARG 82 Ca 0.33 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.37 1tl6 h ARG 82 Cb 0.05 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1tl6 h ARG 82 CO -0.13 0.38 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.22 1tl6 h TYR 83 N -0.08 -0.02 -0.13 3.04 5.03 -1.35 -2.33 116.97 121.13 1tl6 h TYR 83 Ca 0.03 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 1tl6 h TYR 83 Cb 0.30 0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.61 1tl6 h TYR 83 CO 0.02 -0.04 0.05 -0.07 -1.32 0.00 0.00 178.16 176.80 1tl6 h LEU 84 N 0.05 0.15 0.00 2.82 4.07 -0.80 0.14 115.31 121.74 1tl6 h LEU 84 Ca 0.09 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 1tl6 h LEU 84 Cb 0.12 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 41.82 1tl6 h LEU 84 CO -0.16 0.15 -0.42 -0.08 -1.08 0.00 0.00 178.44 176.84 1tl6 h GLU 85 N 0.18 0.00 0.06 1.13 4.57 -0.88 -1.60 114.58 118.03 1tl6 h GLU 85 Ca 0.05 0.00 -0.38 0.00 -1.18 0.00 0.00 59.36 57.85 1tl6 h GLU 85 Cb 0.04 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.59 1tl6 h GLU 85 CO -0.01 0.07 -2.24 -1.33 -1.18 0.00 0.00 179.01 174.33 1tl6 n MET 86 N -2.98 0.71 0.00 1.92 2.81 -1.02 -4.82 117.12 113.74 1tl6 n MET 86 Ca 0.02 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.11 1tl6 n MET 86 Cb 0.58 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1tl6 n MET 86 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1tl6 n TYR 87 N -3.37 0.00 -3.62 2.03 4.01 0.47 -5.07 117.16 111.62 1tl6 n TYR 87 Ca -0.39 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.32 1tl6 n TYR 87 Cb 1.02 -0.15 -0.06 0.00 -0.31 0.00 0.00 39.34 39.84 1tl6 n TYR 87 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1tl6 s THR 88 N -0.43 -0.13 0.35 -0.72 -1.32 -0.61 -5.00 115.64 107.78 1tl6 s THR 88 Ca 0.00 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.22 1tl6 s THR 88 Cb 0.00 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.90 1tl6 s THR 88 CO 0.00 0.00 1.04 0.21 -2.21 0.00 0.00 174.62 173.66 1tl6 s ASN 89 N 1.66 7.03 0.00 8.08 2.47 -1.21 -4.46 114.94 128.51 1tl6 s ASN 89 Ca -0.08 2.06 0.31 0.00 0.42 0.00 0.00 52.86 55.57 1tl6 s ASN 89 Cb -0.05 -2.60 1.78 0.00 -1.45 0.00 0.00 41.25 38.93 1tl6 s ASN 89 CO -0.17 -0.30 2.16 2.29 -3.72 0.00 0.00 177.10 177.36