#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 -0.18 3.52 3.00 -1.26 -4.88 118.16 118.37 1tl6 n LYS 3 Ca 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 58.31 58.60 1tl6 n LYS 3 Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 35.03 35.75 1tl6 n LYS 3 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1tl6 h ASN 4 N 0.00 0.00 -0.47 3.14 4.21 -1.99 -1.53 115.58 118.94 1tl6 h ASN 4 Ca 0.00 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 1tl6 h ASN 4 Cb 0.00 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 1tl6 h ASN 4 CO 0.00 0.00 0.22 -0.29 -1.29 0.00 0.00 177.43 176.07 1tl6 h ILE 5 N 0.00 1.19 -0.23 2.81 2.10 -1.97 -2.25 117.51 119.16 1tl6 h ILE 5 Ca 0.43 -0.56 0.06 0.00 1.08 0.00 0.00 64.86 65.87 1tl6 h ILE 5 Cb 1.83 0.69 -0.07 0.00 -1.09 0.00 0.00 36.82 38.18 1tl6 h ILE 5 CO -0.00 0.21 -0.26 -0.78 -1.08 0.00 0.00 178.15 176.24 1tl6 h ASP 6 N 0.61 -0.84 -0.18 2.19 3.58 -1.64 0.76 116.42 120.92 1tl6 h ASP 6 Ca 0.16 0.14 0.05 0.00 0.42 0.00 0.00 57.03 57.80 1tl6 h ASP 6 Cb 0.14 0.39 -0.05 0.00 1.72 0.00 0.00 39.33 41.52 1tl6 h ASP 6 CO -0.02 -0.30 -0.17 0.74 -2.88 0.00 0.00 179.24 176.62 1tl6 h THR 7 N -0.28 0.55 -0.13 2.25 2.02 -1.47 -2.98 112.91 112.86 1tl6 h THR 7 Ca 0.13 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 1tl6 h THR 7 Cb 0.48 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1tl6 h THR 7 CO -0.39 0.00 -0.00 0.58 0.37 0.00 0.00 175.52 176.08 1tl6 h VAL 8 N -0.19 1.26 -0.82 3.16 2.07 -0.89 -2.81 116.25 118.03 1tl6 h VAL 8 Ca 0.11 -0.84 0.06 0.00 0.82 0.00 0.00 66.70 66.84 1tl6 h VAL 8 Cb 0.35 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 1tl6 h VAL 8 CO -0.29 0.25 0.54 0.08 0.02 0.00 0.00 177.57 178.16 1tl6 h ARG 9 N -0.04 0.90 0.02 1.57 0.11 0.57 -1.34 114.38 116.16 1tl6 h ARG 9 Ca 0.04 -0.05 -0.00 0.00 0.10 0.00 0.00 59.98 60.06 1tl6 h ARG 9 Cb 0.38 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 31.26 1tl6 h ARG 9 CO 0.01 0.59 -0.01 0.93 0.10 0.00 0.00 179.97 181.59 1tl6 h GLU 10 N 0.93 -0.02 -0.12 0.08 5.08 -1.58 -1.31 114.58 117.63 1tl6 h GLU 10 Ca 0.35 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.75 1tl6 h GLU 10 Cb 0.18 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 1tl6 h GLU 10 CO -0.12 0.31 -0.28 0.82 -1.00 0.00 0.00 179.01 178.74 1tl6 h ILE 11 N -0.36 0.35 -0.18 3.13 2.04 -0.99 -0.97 117.51 120.53 1tl6 h ILE 11 Ca -0.00 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.65 1tl6 h ILE 11 Cb 0.34 0.35 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1tl6 h ILE 11 CO 0.00 0.00 -0.71 -0.29 0.00 0.00 0.00 178.15 177.15 1tl6 h ILE 12 N -0.36 1.28 -0.29 -0.67 2.10 -1.48 -1.67 117.51 116.43 1tl6 h ILE 12 Ca 0.10 -1.92 -0.02 0.00 1.08 0.00 0.00 64.86 64.09 1tl6 h ILE 12 Cb 0.51 1.90 -0.01 0.00 -1.09 0.00 0.00 36.82 38.12 1tl6 h ILE 12 CO -0.33 0.61 0.10 0.74 -1.08 0.00 0.00 178.15 178.19 1tl6 h THR 13 N 0.55 1.19 0.00 2.19 2.02 -1.11 -0.51 112.91 117.24 1tl6 h THR 13 Ca -0.03 -0.62 -0.12 0.00 0.77 0.00 0.00 66.41 66.41 1tl6 h THR 13 Cb 1.33 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 1tl6 h THR 13 CO 0.15 0.21 -0.59 1.62 0.37 0.00 0.00 175.52 177.28 1tl6 h VAL 14 N 0.31 1.41 0.42 3.16 3.04 -1.22 -2.65 116.25 120.73 1tl6 h VAL 14 Ca 0.09 -2.02 -0.02 0.00 -1.01 0.00 0.00 66.70 63.75 1tl6 h VAL 14 Cb 0.23 2.09 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 1tl6 h VAL 14 CO -0.00 0.58 -0.22 0.00 -1.01 0.00 0.00 177.57 176.91 1tl6 h ALA 15 N 1.41 -0.60 -0.93 3.17 0.00 -1.15 -3.05 119.26 118.11 1tl6 h ALA 15 Ca -0.01 -0.13 0.22 0.00 0.00 0.00 0.00 54.91 55.00 1tl6 h ALA 15 Cb 1.05 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 1tl6 h ALA 15 CO 0.08 -0.84 0.62 0.66 0.00 0.00 0.00 179.25 179.76 1tl6 h SER 16 N -0.60 0.37 0.49 0.00 4.64 -0.80 0.20 113.55 117.85 1tl6 h SER 16 Ca -0.05 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1tl6 h SER 16 Cb 0.47 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1tl6 h SER 16 CO 0.08 0.13 -0.24 0.40 -0.87 0.00 0.00 176.83 176.33 1tl6 h ILE 17 N 0.36 0.49 0.00 0.95 2.04 -1.46 -3.00 117.51 116.88 1tl6 h ILE 17 Ca 0.49 -0.22 -0.17 0.00 1.00 0.00 0.00 64.86 65.96 1tl6 h ILE 17 Cb 1.30 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 1tl6 h ILE 17 CO -0.18 0.04 -0.81 0.25 0.00 0.00 0.00 178.15 177.46 1tl6 h LEU 18 N -0.80 0.00 -0.27 1.44 7.12 -0.98 -3.18 115.31 118.63 1tl6 h LEU 18 Ca -0.07 0.00 -0.13 0.00 0.13 0.00 0.00 57.88 57.81 1tl6 h LEU 18 Cb 0.57 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.68 1tl6 h LEU 18 CO 0.11 0.81 -0.63 0.16 -0.13 0.00 0.00 178.44 178.76 1tl6 h ILE 19 N 0.00 1.16 0.00 4.05 3.07 -0.79 0.20 117.51 125.20 1tl6 h ILE 19 Ca -0.01 -2.40 0.00 0.00 1.55 0.00 0.00 64.86 64.00 1tl6 h ILE 19 Cb 1.51 2.41 0.00 0.00 -0.27 0.00 0.00 36.82 40.48 1tl6 h ILE 19 CO 0.10 0.61 0.00 1.17 -1.05 0.00 0.00 178.15 178.99 1tl6 n LYS 20 N -3.38 0.00 0.00 0.16 3.00 -1.13 -3.49 118.16 113.31 1tl6 n LYS 20 Ca 0.01 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1tl6 n LYS 20 Cb 0.73 -0.49 0.00 0.00 0.00 0.00 0.00 35.03 35.27 1tl6 n LYS 20 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1tl6 n PHE 21 N -0.70 0.00 0.01 5.64 3.72 -1.20 -4.44 117.46 120.49 1tl6 n PHE 21 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1tl6 n PHE 21 Cb 0.00 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 0.36 -0.27 -3.39 4.37 2.88 -1.05 -4.93 113.62 111.60 1tl6 n SER 22 Ca 0.00 0.08 -0.16 0.00 -1.33 0.00 0.00 58.87 57.46 1tl6 n SER 22 Cb 0.00 0.52 -0.09 0.00 -0.75 0.00 0.00 64.21 63.89 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 -1.11 0.33 -0.01 -1.46 1.81 0.66 -5.00 118.95 114.19 1tl6 s ARG 23 Ca 0.00 -0.10 -0.06 0.00 -1.72 0.00 0.00 55.73 53.85 1tl6 s ARG 23 Cb 0.00 -0.61 -0.29 0.00 -0.45 0.00 0.00 34.95 33.59 1tl6 s ARG 23 CO 0.00 -1.03 0.82 1.49 -0.68 0.00 0.00 175.30 175.91 1tl6 h GLU 24 N 8.25 0.31 0.00 3.54 4.22 -1.78 -3.35 114.58 125.77 1tl6 h GLU 24 Ca -0.13 -0.53 0.00 0.00 0.08 0.00 0.00 59.36 58.78 1tl6 h GLU 24 Cb 1.08 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1tl6 h GLU 24 CO 0.33 1.20 0.22 -0.40 -2.18 0.00 0.00 179.01 178.17 1tl6 n ASP 25 N -3.51 0.30 0.06 1.04 5.75 -1.26 -1.45 116.55 117.48 1tl6 n ASP 25 Ca -0.19 0.54 -0.22 0.00 -0.01 0.00 0.00 54.79 54.92 1tl6 n ASP 25 Cb 1.06 -0.52 -0.15 0.00 -1.03 0.00 0.00 41.12 40.48 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 1.11 0.02 2.12 2.04 -1.89 -3.35 117.51 117.56 1tl6 h ILE 26 Ca 0.00 -2.51 -0.23 0.00 1.00 0.00 0.00 64.86 63.12 1tl6 h ILE 26 Cb 0.43 2.86 -0.03 0.00 -0.74 0.00 0.00 36.82 39.35 1tl6 h ILE 26 CO 0.00 0.78 -1.14 1.62 0.00 0.00 0.00 178.15 179.41 1tl6 h VAL 27 N -0.10 1.56 -0.90 1.67 3.04 -1.49 -2.70 116.25 117.34 1tl6 h VAL 27 Ca -0.29 -3.27 0.37 0.00 -1.01 0.00 0.00 66.70 62.50 1tl6 h VAL 27 Cb 1.93 2.80 -0.16 0.00 -2.01 0.00 0.00 31.29 33.85 1tl6 h VAL 27 CO 0.15 0.90 0.49 1.21 -1.01 0.00 0.00 177.57 179.31 1tl6 n GLU 28 N -3.33 -0.05 -3.81 4.17 4.07 -1.01 -3.37 120.64 117.31 1tl6 n GLU 28 Ca -0.04 1.21 -0.30 0.00 -0.06 0.00 0.00 57.16 57.97 1tl6 n GLU 28 Cb 0.97 -2.19 -0.14 0.00 -0.06 0.00 0.00 31.44 30.02 1tl6 n GLU 28 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1tl6 s ASN 29 N -4.56 4.04 0.45 4.31 2.47 -1.22 -5.03 114.94 115.39 1tl6 s ASN 29 Ca -0.08 -2.34 0.14 0.00 0.42 0.00 0.00 52.86 51.00 1tl6 s ASN 29 Cb 0.30 -1.18 1.00 0.00 -1.45 0.00 0.00 41.25 39.92 1tl6 s ASN 29 CO 0.69 -0.32 2.00 0.03 -3.72 0.00 0.00 177.10 175.78 1tl6 h ARG 30 N 7.21 0.04 0.00 0.43 -0.00 -1.73 -2.43 114.38 117.89 1tl6 h ARG 30 Ca -0.06 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.41 1tl6 h ARG 30 Cb 0.96 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.93 1tl6 h ARG 30 CO 0.52 0.19 0.00 0.00 0.00 0.00 0.00 179.97 180.68 1tl6 h ALA 31 N 1.81 1.00 -0.03 0.04 0.00 -1.90 -1.94 119.26 118.24 1tl6 h ALA 31 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1tl6 h ALA 31 Cb 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1tl6 h ALA 31 CO 0.02 0.00 -0.02 -0.97 0.00 0.00 0.00 179.25 178.28 1tl6 h ASN 32 N 0.00 0.07 -0.12 0.00 -1.24 -1.63 -0.54 115.58 112.11 1tl6 h ASN 32 Ca 0.00 -0.45 0.02 0.00 0.71 0.00 0.00 56.30 56.58 1tl6 h ASN 32 Cb 0.53 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.55 1tl6 h ASN 32 CO 0.00 0.50 0.00 0.15 -1.29 0.00 0.00 177.43 176.80 1tl6 h PHE 33 N -0.37 -0.00 -0.74 0.67 3.57 -1.01 -2.09 116.94 116.98 1tl6 h PHE 33 Ca 0.01 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.59 1tl6 h PHE 33 Cb 0.48 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 1tl6 h PHE 33 CO 0.08 -0.01 0.41 0.82 -2.23 0.00 0.00 178.31 177.38 1tl6 h ILE 34 N 0.05 0.94 -0.02 1.41 2.04 -1.54 -0.52 117.51 119.87 1tl6 h ILE 34 Ca 0.06 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1tl6 h ILE 34 Cb 0.06 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1tl6 h ILE 34 CO -0.09 0.13 -0.07 0.00 0.00 0.00 0.00 178.15 178.12 1tl6 h ALA 35 N 1.39 1.84 0.06 1.87 0.00 -0.40 -0.71 119.26 123.32 1tl6 h ALA 35 Ca 0.34 -0.08 -0.29 0.00 0.00 0.00 0.00 54.91 54.88 1tl6 h ALA 35 Cb 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1tl6 h ALA 35 CO -0.21 0.12 -1.55 0.35 0.00 0.00 0.00 179.25 177.96 1tl6 h PHE 36 N 0.03 0.25 -0.75 0.00 3.04 -1.09 -3.14 116.94 115.27 1tl6 h PHE 36 Ca 0.01 -0.18 0.02 0.00 3.98 0.00 0.00 57.97 61.80 1tl6 h PHE 36 Cb 0.15 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.60 1tl6 h PHE 36 CO 0.00 1.25 0.48 -0.07 -2.02 0.00 0.00 178.31 177.95 1tl6 h LEU 37 N 0.04 0.81 -0.07 0.59 3.38 -0.04 -3.10 115.31 116.92 1tl6 h LEU 37 Ca -0.24 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1tl6 h LEU 37 Cb 1.98 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 42.48 1tl6 h LEU 37 CO 0.12 0.57 -0.33 0.78 0.09 0.00 0.00 178.44 179.67 1tl6 h ASN 38 N 0.96 -1.02 -0.70 -0.43 2.35 -1.24 -2.36 115.58 113.14 1tl6 h ASN 38 Ca 0.29 0.14 0.20 0.00 -0.55 0.00 0.00 56.30 56.38 1tl6 h ASN 38 Cb -0.03 0.42 -0.13 0.00 0.05 0.00 0.00 38.32 38.63 1tl6 h ASN 38 CO -0.09 -0.38 0.02 1.21 -1.65 0.00 0.00 177.43 176.54 1tl6 n GLU 39 N -5.42 -0.06 -0.30 0.81 0.00 -1.18 -0.83 120.64 113.67 1tl6 n GLU 39 Ca -0.04 1.05 0.06 0.00 0.00 0.00 0.00 57.16 58.23 1tl6 n GLU 39 Cb 0.33 -1.67 0.27 0.00 0.00 0.00 0.00 31.44 30.37 1tl6 n GLU 39 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1tl6 h ILE 40 N 0.00 0.99 0.00 6.31 2.04 -1.37 -3.46 117.51 122.02 1tl6 h ILE 40 Ca 0.43 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1tl6 h ILE 40 Cb 0.89 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1tl6 h ILE 40 CO -0.66 0.17 0.00 0.61 0.00 0.00 0.00 178.15 178.28 1tl6 n GLY 41 N -1.40 0.86 3.36 5.37 0.00 -0.01 -5.12 105.19 108.26 1tl6 n GLY 41 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1tl6 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tl6 s VAL 42 N -1.03 4.00 0.11 1.61 1.01 -1.20 -5.07 120.40 119.83 1tl6 s VAL 42 Ca 0.00 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.49 1tl6 s VAL 42 Cb 0.00 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1tl6 s VAL 42 CO 0.00 0.16 -0.19 0.42 0.00 0.00 0.00 175.10 175.49 1tl6 s THR 43 N 1.52 1.58 0.00 3.92 -4.23 -1.26 -4.43 115.64 112.74 1tl6 s THR 43 Ca 0.04 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1tl6 s THR 43 Cb -0.16 -1.51 0.00 0.00 1.34 0.00 0.00 72.50 72.17 1tl6 s THR 43 CO 0.02 -0.16 0.00 1.41 -0.54 0.00 0.00 174.62 175.35 1tl6 n HIS 44 N 0.96 0.00 -2.38 3.99 8.25 -0.56 -4.94 115.22 120.54 1tl6 n HIS 44 Ca -0.19 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.91 1tl6 n HIS 44 Cb 0.54 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 1tl6 n HIS 44 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1tl6 s GLU 45 N 2.89 3.30 0.00 -0.41 1.03 -1.26 -4.28 118.70 119.97 1tl6 s GLU 45 Ca 0.00 -1.21 0.00 0.00 0.03 0.00 0.00 54.97 53.79 1tl6 s GLU 45 Cb 0.00 -5.33 0.00 0.00 -0.80 0.00 0.00 34.13 28.00 1tl6 s GLU 45 CO 0.00 -2.77 0.00 0.41 -1.33 0.00 0.00 175.26 171.57 1tl6 n GLY 46 N 6.28 1.15 0.00 -3.83 0.00 -1.26 -4.88 105.19 102.65 1tl6 n GLY 46 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.56 2.16 0.00 1.61 5.12 -1.26 -5.14 116.66 118.59 1tl6 n ARG 47 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1tl6 n ARG 47 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1tl6 n ARG 47 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1tl6 n LYS 48 N 0.00 3.03 -3.64 5.56 4.76 -1.26 -1.50 118.16 125.11 1tl6 n LYS 48 Ca 0.00 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.08 1tl6 n LYS 48 Cb 0.00 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.11 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 4.18 0.59 -0.35 2.96 -1.26 -3.78 118.68 121.02 1tl6 s LEU 49 Ca 0.00 0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.18 1tl6 s LEU 49 Cb 0.00 -2.19 0.04 0.00 0.50 0.00 0.00 46.19 44.54 1tl6 s LEU 49 CO 0.00 0.11 0.84 0.20 -1.32 0.00 0.00 176.35 176.17 1tl6 s ASN 50 N 0.65 5.18 0.09 3.68 0.01 -1.26 -5.01 114.94 118.28 1tl6 s ASN 50 Ca 0.11 0.14 -0.15 0.00 -0.71 0.00 0.00 52.86 52.24 1tl6 s ASN 50 Cb -0.12 -0.98 -0.12 0.00 0.41 0.00 0.00 41.25 40.44 1tl6 s ASN 50 CO 0.02 -1.24 1.36 -0.61 -1.51 0.00 0.00 177.10 175.11 1tl6 h GLN 51 N -0.10 0.69 -1.01 -0.60 4.15 -1.99 -3.22 115.11 113.03 1tl6 h GLN 51 Ca -0.43 -0.44 0.24 0.00 0.77 0.00 0.00 58.65 58.79 1tl6 h GLN 51 Cb 1.30 0.05 -0.10 0.00 0.21 0.00 0.00 27.48 28.94 1tl6 h GLN 51 CO 0.55 1.06 0.64 -0.91 -1.93 0.00 0.00 178.83 178.23 1tl6 h ASN 52 N 0.40 0.55 0.03 -0.69 4.21 -2.05 -3.16 115.58 114.86 1tl6 h ASN 52 Ca 0.01 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.61 1tl6 h ASN 52 Cb 1.03 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.22 1tl6 h ASN 52 CO 0.10 0.14 0.00 -1.20 -1.29 0.00 0.00 177.43 175.17 1tl6 n SER 53 N -4.68 0.00 0.24 5.81 7.64 -1.22 -2.87 113.62 118.54 1tl6 n SER 53 Ca 0.24 -0.36 0.16 0.00 1.01 0.00 0.00 58.87 59.93 1tl6 n SER 53 Cb 0.77 -0.03 0.69 0.00 -1.01 0.00 0.00 64.21 64.64 1tl6 n SER 53 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1tl6 h PHE 54 N 0.00 0.00 0.19 1.43 3.57 -1.78 -1.63 116.94 118.72 1tl6 h PHE 54 Ca 0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1tl6 h PHE 54 Cb 0.01 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1tl6 h PHE 54 CO 0.00 0.00 -0.25 0.07 -2.23 0.00 0.00 178.31 175.90 1tl6 h ARG 55 N 0.00 -0.48 -0.64 1.11 0.11 -1.84 -2.16 114.38 110.49 1tl6 h ARG 55 Ca 0.00 0.03 0.05 0.00 0.10 0.00 0.00 59.98 60.16 1tl6 h ARG 55 Cb 0.40 0.11 -0.05 0.00 1.11 0.00 0.00 29.97 31.54 1tl6 h ARG 55 CO 0.00 -0.32 0.36 -0.22 0.10 0.00 0.00 179.97 179.89 1tl6 h LYS 56 N -0.50 0.66 -0.04 0.08 1.63 -1.59 -2.02 116.57 114.80 1tl6 h LYS 56 Ca 0.01 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1tl6 h LYS 56 Cb 0.49 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1tl6 h LYS 56 CO -0.10 0.44 -0.09 0.82 -3.45 0.00 0.00 179.45 177.07 1tl6 h ILE 57 N 0.68 0.00 0.00 2.00 1.08 -1.35 -3.19 117.51 116.73 1tl6 h ILE 57 Ca 0.28 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.68 1tl6 h ILE 57 Cb 0.13 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.88 1tl6 h ILE 57 CO -0.16 0.00 -0.29 1.62 -0.69 0.00 0.00 178.15 178.63 1tl6 h VAL 58 N -0.08 0.71 -0.01 1.67 3.04 -1.31 -3.07 116.25 117.19 1tl6 h VAL 58 Ca 0.01 -1.29 -0.00 0.00 -1.01 0.00 0.00 66.70 64.40 1tl6 h VAL 58 Cb 0.10 1.83 -0.00 0.00 -2.01 0.00 0.00 31.29 31.21 1tl6 h VAL 58 CO -0.08 0.29 0.00 0.28 -1.01 0.00 0.00 177.57 177.05 1tl6 h SER 59 N 0.00 0.02 -0.23 3.17 0.02 -1.43 -3.31 113.55 111.78 1tl6 h SER 59 Ca -0.00 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1tl6 h SER 59 Cb 0.81 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1tl6 h SER 59 CO 0.04 0.30 0.14 -0.08 -1.14 0.00 0.00 176.83 176.09 1tl6 h GLU 60 N -0.27 0.32 -6.59 3.45 4.57 -1.52 -3.45 114.58 111.08 1tl6 h GLU 60 Ca 0.00 -0.03 -0.55 0.00 -1.18 0.00 0.00 59.36 57.60 1tl6 h GLU 60 Cb 0.30 -0.07 0.06 0.00 -0.16 0.00 0.00 28.75 28.88 1tl6 h GLU 60 CO 0.00 0.26 0.91 1.28 -1.18 0.00 0.00 179.01 180.28 1tl6 n LEU 61 N -4.89 3.58 0.00 1.64 4.77 -1.19 -5.03 117.00 115.88 1tl6 n LEU 61 Ca -0.03 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.02 1tl6 n LEU 61 Cb 0.06 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 39.64 1tl6 n LEU 61 CO 0.34 -0.04 0.00 0.35 -1.33 0.00 0.00 177.39 176.72 1tl6 n THR 62 N 3.68 0.00 0.11 -5.08 -2.24 -1.26 -5.00 114.28 104.49 1tl6 n THR 62 Ca 0.16 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.93 1tl6 n THR 62 Cb 0.32 -0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 67.93 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 -0.20 -0.78 4.20 -2.00 -3.02 115.11 113.31 1tl6 h GLN 63 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1tl6 h GLN 63 Cb 0.00 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 1tl6 h GLN 63 CO 0.00 0.69 -0.13 0.93 -0.67 0.00 0.00 178.83 179.66 1tl6 h GLU 64 N 0.00 -0.11 0.33 1.46 4.39 -1.99 -2.55 114.58 116.11 1tl6 h GLU 64 Ca -0.01 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1tl6 h GLU 64 Cb 1.53 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 30.18 1tl6 h GLU 64 CO 0.09 -0.08 -0.47 -0.44 -1.16 0.00 0.00 179.01 176.95 1tl6 h ASP 65 N -0.12 -1.34 -0.65 1.42 3.32 -1.95 0.60 116.42 117.70 1tl6 h ASP 65 Ca 0.11 0.12 0.09 0.00 0.02 0.00 0.00 57.03 57.37 1tl6 h ASP 65 Cb 0.29 0.46 -0.09 0.00 0.22 0.00 0.00 39.33 40.21 1tl6 h ASP 65 CO -0.27 -0.58 -0.30 0.29 -1.72 0.00 0.00 179.24 176.66 1tl6 n LYS 66 N -5.23 -0.20 0.15 3.56 5.02 -1.15 -0.75 118.16 119.56 1tl6 n LYS 66 Ca -0.10 0.99 0.08 0.00 -2.02 0.00 0.00 58.31 57.26 1tl6 n LYS 66 Cb 0.41 -1.47 0.06 0.00 -0.02 0.00 0.00 35.03 34.01 1tl6 n LYS 66 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1tl6 h LYS 67 N 0.00 0.00 -0.29 1.97 1.63 -1.35 -2.87 116.57 115.65 1tl6 h LYS 67 Ca 0.18 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 1tl6 h LYS 67 Cb 0.34 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.96 1tl6 h LYS 67 CO -0.63 0.17 0.15 1.15 -3.45 0.00 0.00 179.45 176.84 1tl6 h THR 68 N 0.00 1.10 0.10 1.00 2.02 0.22 -0.38 112.91 116.97 1tl6 h THR 68 Ca -0.02 -0.26 -0.28 0.00 0.77 0.00 0.00 66.41 66.62 1tl6 h THR 68 Cb 1.17 0.71 0.02 0.00 -1.74 0.00 0.00 68.15 68.31 1tl6 h THR 68 CO 0.02 0.11 -1.19 0.25 0.37 0.00 0.00 175.52 175.08 1tl6 h LEU 69 N 0.41 0.68 -0.36 2.58 5.85 -0.73 -1.69 115.31 122.06 1tl6 h LEU 69 Ca 0.11 -0.64 -0.15 0.00 0.84 0.00 0.00 57.88 58.04 1tl6 h LEU 69 Cb 0.03 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1tl6 h LEU 69 CO -0.02 1.46 -0.36 0.40 -0.34 0.00 0.00 178.44 179.58 1tl6 h ILE 70 N 0.21 1.28 -0.44 4.05 2.04 -1.45 0.72 117.51 123.91 1tl6 h ILE 70 Ca -0.15 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.17 1tl6 h ILE 70 Cb 1.86 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 39.37 1tl6 h ILE 70 CO 0.21 0.51 0.29 -0.78 0.00 0.00 0.00 178.15 178.38 1tl6 h ASP 71 N 0.67 0.51 -0.09 1.72 3.58 -1.02 -2.20 116.42 119.59 1tl6 h ASP 71 Ca 0.06 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 1tl6 h ASP 71 Cb 0.95 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.87 1tl6 h ASP 71 CO 0.09 0.38 -0.08 -0.33 -2.88 0.00 0.00 179.24 176.43 1tl6 h GLU 72 N 0.60 0.22 -2.21 0.28 5.08 -1.21 -3.43 114.58 113.91 1tl6 h GLU 72 Ca 0.16 -0.11 -0.38 0.00 -1.00 0.00 0.00 59.36 58.03 1tl6 h GLU 72 Cb -0.05 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 28.86 1tl6 h GLU 72 CO -0.03 0.62 -0.68 -0.06 -1.00 0.00 0.00 179.01 177.86 1tl6 s PHE 73 N -4.36 -0.24 0.45 4.33 0.08 0.24 -4.97 117.98 113.51 1tl6 s PHE 73 Ca -0.15 -0.53 0.11 0.00 0.12 0.00 0.00 56.93 56.48 1tl6 s PHE 73 Cb 0.04 -0.53 1.00 0.00 -0.57 0.00 0.00 43.02 42.95 1tl6 s PHE 73 CO 0.72 -0.92 2.05 -2.95 -0.10 0.00 0.00 175.22 174.03 1tl6 h ASN 74 N 7.88 0.22 -0.54 1.36 7.08 -1.57 -3.30 115.58 126.71 1tl6 h ASN 74 Ca -0.08 -0.02 0.11 0.00 -3.08 0.00 0.00 56.30 53.23 1tl6 h ASN 74 Cb 1.05 -0.06 -0.10 0.00 -2.08 0.00 0.00 38.32 37.14 1tl6 h ASN 74 CO 0.31 0.22 -0.08 -0.08 -2.08 0.00 0.00 177.43 175.71 1tl6 h GLU 75 N 0.25 0.04 -0.03 4.14 4.57 -1.93 -1.31 114.58 120.31 1tl6 h GLU 75 Ca 0.06 -0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.10 1tl6 h GLU 75 Cb 0.08 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1tl6 h GLU 75 CO -0.00 0.03 -0.62 0.78 -1.18 0.00 0.00 179.01 178.01 1tl6 h GLY 76 N 0.04 0.14 0.43 1.92 0.00 -1.96 -1.29 103.07 102.35 1tl6 h GLY 76 Ca 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 1tl6 h GLY 76 CO -0.52 0.16 -0.01 -2.75 0.00 0.00 0.00 176.54 173.42 1tl6 h PHE 77 N 0.09 -0.03 -0.19 5.60 3.57 -1.57 -1.74 116.94 122.67 1tl6 h PHE 77 Ca -0.01 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1tl6 h PHE 77 Cb 1.12 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 1tl6 h PHE 77 CO 0.01 0.52 -0.07 0.93 -2.23 0.00 0.00 178.31 177.47 1tl6 h GLU 78 N -0.60 0.39 -0.56 1.11 4.39 -1.32 -1.16 114.58 116.83 1tl6 h GLU 78 Ca -0.00 -0.16 0.11 0.00 0.34 0.00 0.00 59.36 59.64 1tl6 h GLU 78 Cb 0.56 -0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.08 1tl6 h GLU 78 CO 0.01 0.67 -0.24 0.78 -1.16 0.00 0.00 179.01 179.06 1tl6 h GLY 79 N 0.09 0.14 2.00 -3.84 0.00 -1.34 -1.93 103.07 98.19 1tl6 h GLY 79 Ca 0.04 0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.63 1tl6 h GLY 79 CO 0.02 -0.22 -0.26 -0.24 0.00 0.00 0.00 176.54 175.84 1tl6 h VAL 80 N -0.11 0.58 -0.37 4.60 3.04 -1.27 -2.61 116.25 120.12 1tl6 h VAL 80 Ca 0.25 -1.30 -0.01 0.00 -1.01 0.00 0.00 66.70 64.63 1tl6 h VAL 80 Cb 0.50 1.88 -0.02 0.00 -2.01 0.00 0.00 31.29 31.65 1tl6 h VAL 80 CO -0.63 0.26 0.18 0.22 -1.01 0.00 0.00 177.57 176.59 1tl6 h TYR 81 N 0.00 0.53 0.00 3.17 3.20 -0.77 0.27 116.97 123.37 1tl6 h TYR 81 Ca -0.00 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.78 1tl6 h TYR 81 Cb 0.86 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1tl6 h TYR 81 CO 0.00 0.44 -0.30 0.00 -1.64 0.00 0.00 178.16 176.67 1tl6 h ARG 82 N 0.46 0.00 -0.04 1.82 3.08 -1.21 -1.25 114.38 117.24 1tl6 h ARG 82 Ca 0.13 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1tl6 h ARG 82 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1tl6 h ARG 82 CO -0.02 0.30 -0.02 -0.92 -1.07 0.00 0.00 179.97 178.24 1tl6 h TYR 83 N 0.00 0.09 -0.11 3.04 5.03 -1.22 -2.64 116.97 121.17 1tl6 h TYR 83 Ca -0.00 -0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.32 1tl6 h TYR 83 Cb 0.71 -0.02 -0.06 0.00 1.55 0.00 0.00 36.73 38.91 1tl6 h TYR 83 CO 0.00 0.48 -0.43 1.25 -1.32 0.00 0.00 178.16 178.14 1tl6 h LEU 84 N -0.33 -1.33 0.00 2.82 5.85 0.10 0.26 115.31 122.68 1tl6 h LEU 84 Ca 0.01 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1tl6 h LEU 84 Cb 0.45 0.54 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1tl6 h LEU 84 CO 0.01 -0.44 0.00 1.21 -0.34 0.00 0.00 178.44 178.88 1tl6 n GLU 85 N -5.44 0.00 0.05 1.25 2.13 -0.53 -2.92 120.64 115.18 1tl6 n GLU 85 Ca -0.04 0.62 -0.06 0.00 0.66 0.00 0.00 57.16 58.33 1tl6 n GLU 85 Cb 0.36 -0.98 -0.11 0.00 0.27 0.00 0.00 31.44 30.99 1tl6 n GLU 85 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 1tl6 h MET 86 N 0.00 0.00 0.00 5.31 2.86 -1.01 -3.41 114.93 118.67 1tl6 h MET 86 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1tl6 h MET 86 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1tl6 h MET 86 CO 0.00 0.81 0.00 0.66 1.06 0.00 0.00 176.91 179.44 1tl6 n TYR 87 N -3.25 0.00 -3.64 -0.22 4.02 0.84 -5.10 117.16 109.82 1tl6 n TYR 87 Ca -0.04 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.80 1tl6 n TYR 87 Cb 0.94 -0.11 -0.07 0.00 -0.02 0.00 0.00 39.34 40.08 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 -0.67 0.00 -0.05 -0.72 -1.32 -1.15 -5.04 115.64 106.69 1tl6 s THR 88 Ca 0.00 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.50 1tl6 s THR 88 Cb 0.00 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 1tl6 s THR 88 CO 0.00 0.00 -0.08 0.21 -2.21 0.00 0.00 174.62 172.54 1tl6 s ASN 89 N 0.61 4.56 0.00 8.08 3.84 -1.26 -4.42 114.94 126.36 1tl6 s ASN 89 Ca -0.01 -0.07 0.06 0.00 0.21 0.00 0.00 52.86 53.05 1tl6 s ASN 89 Cb -0.04 -1.11 0.05 0.00 -0.55 0.00 0.00 41.25 39.59 1tl6 s ASN 89 CO -0.11 0.35 0.68 2.29 -2.79 0.00 0.00 177.10 177.52