#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 2.03 0.32 1.20 -0.14 -1.26 -5.03 119.74 116.85 1tl6 s LYS 3 Ca 0.00 -1.07 0.01 0.00 -1.36 0.00 0.00 55.97 53.54 1tl6 s LYS 3 Cb 0.00 -2.25 0.54 0.00 -1.68 0.00 0.00 37.83 34.44 1tl6 s LYS 3 CO 0.00 0.50 1.96 -0.91 -0.76 0.00 0.00 175.35 176.14 1tl6 h ASN 4 N 3.63 0.86 0.21 2.83 2.35 -1.99 -1.71 115.58 121.75 1tl6 h ASN 4 Ca -0.49 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.24 1tl6 h ASN 4 Cb 1.17 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.34 1tl6 h ASN 4 CO 0.50 0.60 -0.10 0.40 -1.65 0.00 0.00 177.43 177.18 1tl6 h ILE 5 N 1.00 0.88 -0.84 2.81 2.04 -1.96 0.41 117.51 121.85 1tl6 h ILE 5 Ca 0.31 -0.70 0.13 0.00 1.00 0.00 0.00 64.86 65.60 1tl6 h ILE 5 Cb 0.02 1.27 -0.13 0.00 -0.74 0.00 0.00 36.82 37.24 1tl6 h ILE 5 CO -0.09 0.15 -0.34 -0.67 0.00 0.00 0.00 178.15 177.20 1tl6 n ASP 6 N -5.06 -0.58 0.10 1.72 -0.08 -1.17 0.43 116.55 111.91 1tl6 n ASP 6 Ca -0.09 1.47 -0.13 0.00 -1.51 0.00 0.00 54.79 54.53 1tl6 n ASP 6 Cb 0.24 -0.32 -0.08 0.00 2.34 0.00 0.00 41.12 43.30 1tl6 n ASP 6 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1tl6 h THR 7 N 0.00 0.93 -0.43 5.18 2.02 -1.09 -3.02 112.91 116.49 1tl6 h THR 7 Ca 0.28 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 67.12 1tl6 h THR 7 Cb 0.49 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 1tl6 h THR 7 CO -0.83 0.09 0.23 0.58 0.37 0.00 0.00 175.52 175.96 1tl6 h VAL 8 N -0.38 1.00 -0.63 3.16 2.07 -0.53 -2.00 116.25 118.95 1tl6 h VAL 8 Ca -0.02 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1tl6 h VAL 8 Cb 0.30 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1tl6 h VAL 8 CO 0.03 0.09 0.23 0.08 0.02 0.00 0.00 177.57 178.02 1tl6 h ARG 9 N 0.47 0.93 -0.97 1.57 -0.00 -0.09 -1.64 114.38 114.66 1tl6 h ARG 9 Ca 0.18 -0.16 0.03 0.00 -0.00 0.00 0.00 59.98 60.03 1tl6 h ARG 9 Cb 0.06 -0.16 -0.05 0.00 -0.00 0.00 0.00 29.97 29.82 1tl6 h ARG 9 CO -0.11 0.78 0.64 0.93 -0.00 0.00 0.00 179.97 182.21 1tl6 h GLU 10 N 0.91 1.20 -0.22 0.08 5.08 -1.39 0.31 114.58 120.55 1tl6 h GLU 10 Ca 0.21 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1tl6 h GLU 10 Cb 0.21 -0.27 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 1tl6 h GLU 10 CO -0.02 0.79 -0.11 0.82 -1.00 0.00 0.00 179.01 179.50 1tl6 h ILE 11 N 1.24 0.65 0.22 3.13 1.08 -0.54 -2.46 117.51 120.84 1tl6 h ILE 11 Ca 0.38 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.84 1tl6 h ILE 11 Cb -0.02 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 34.39 1tl6 h ILE 11 CO -0.11 0.00 -0.11 0.40 -0.69 0.00 0.00 178.15 177.64 1tl6 h ILE 12 N -0.09 0.84 0.22 -0.67 2.04 -1.12 -3.10 117.51 115.63 1tl6 h ILE 12 Ca 0.12 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1tl6 h ILE 12 Cb 0.27 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1tl6 h ILE 12 CO -0.27 0.08 -0.44 0.74 0.00 0.00 0.00 178.15 178.26 1tl6 h THR 13 N -0.47 0.00 -0.23 -0.27 2.02 -0.89 -1.64 112.91 111.43 1tl6 h THR 13 Ca -0.03 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.00 1tl6 h THR 13 Cb 0.36 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1tl6 h THR 13 CO 0.05 0.00 -0.48 0.58 0.37 0.00 0.00 175.52 176.04 1tl6 h VAL 14 N -0.71 1.31 0.49 3.16 2.07 -1.55 -0.89 116.25 120.13 1tl6 h VAL 14 Ca -0.02 -1.69 -0.02 0.00 0.82 0.00 0.00 66.70 65.79 1tl6 h VAL 14 Cb 0.67 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1tl6 h VAL 14 CO -0.17 0.53 -0.30 0.00 0.02 0.00 0.00 177.57 177.65 1tl6 h ALA 15 N 0.98 -0.75 -0.51 1.67 0.00 -1.56 -2.81 119.26 116.27 1tl6 h ALA 15 Ca 0.03 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1tl6 h ALA 15 Cb 1.02 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1tl6 h ALA 15 CO 0.09 -0.94 0.31 0.77 0.00 0.00 0.00 179.25 179.49 1tl6 h SER 16 N -0.75 0.52 0.92 0.00 0.02 -1.06 -0.08 113.55 113.12 1tl6 h SER 16 Ca -0.06 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1tl6 h SER 16 Cb 0.61 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 1tl6 h SER 16 CO 0.06 0.37 -0.01 0.16 -1.14 0.00 0.00 176.83 176.28 1tl6 h ILE 17 N 0.63 0.02 0.08 3.27 3.07 -1.21 -1.36 117.51 122.01 1tl6 h ILE 17 Ca 0.20 -0.48 -0.16 0.00 1.55 0.00 0.00 64.86 65.97 1tl6 h ILE 17 Cb -0.01 1.47 0.00 0.00 -0.27 0.00 0.00 36.82 38.01 1tl6 h ILE 17 CO -0.08 0.01 -0.78 0.25 -1.05 0.00 0.00 178.15 176.50 1tl6 h LEU 18 N 0.00 0.27 -0.67 0.16 6.46 -1.11 -3.40 115.31 117.02 1tl6 h LEU 18 Ca -0.00 -0.90 -0.14 0.00 -0.12 0.00 0.00 57.88 56.72 1tl6 h LEU 18 Cb 0.47 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1tl6 h LEU 18 CO 0.00 1.35 -0.58 0.16 -0.62 0.00 0.00 178.44 178.75 1tl6 h ILE 19 N -0.60 1.37 0.00 4.05 3.07 -0.79 -3.22 117.51 121.40 1tl6 h ILE 19 Ca -0.16 -1.92 0.00 0.00 1.55 0.00 0.00 64.86 64.32 1tl6 h ILE 19 Cb 1.46 1.95 0.00 0.00 -0.27 0.00 0.00 36.82 39.96 1tl6 h ILE 19 CO 0.05 0.57 0.00 0.29 -1.05 0.00 0.00 178.15 178.01 1tl6 n LYS 20 N -3.89 0.00 -0.83 0.16 5.02 -0.53 -3.82 118.16 114.26 1tl6 n LYS 20 Ca -0.02 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.34 1tl6 n LYS 20 Cb 0.60 -0.41 0.39 0.00 -0.02 0.00 0.00 35.03 35.60 1tl6 n LYS 20 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1tl6 n PHE 21 N 0.00 1.94 0.00 2.13 3.72 -1.26 -4.74 117.46 119.24 1tl6 n PHE 21 Ca 0.00 -0.69 0.00 0.00 -0.05 0.00 0.00 57.45 56.71 1tl6 n PHE 21 Cb 0.00 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.10 1tl6 n PHE 21 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1tl6 n SER 22 N 0.77 0.00 -3.54 4.37 7.64 -1.24 -5.10 113.62 116.51 1tl6 n SER 22 Ca 0.27 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.96 1tl6 n SER 22 Cb 1.12 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 64.18 1tl6 n SER 22 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1tl6 s ARG 23 N 0.00 0.15 0.11 1.43 1.81 -1.22 -5.01 118.95 116.22 1tl6 s ARG 23 Ca 0.00 0.18 0.16 0.00 -1.72 0.00 0.00 55.73 54.35 1tl6 s ARG 23 Cb 0.00 -1.24 -0.09 0.00 -0.45 0.00 0.00 34.95 33.16 1tl6 s ARG 23 CO 0.00 -0.62 0.98 0.93 -0.68 0.00 0.00 175.30 175.91 1tl6 h GLU 24 N 8.34 0.00 -1.18 3.54 3.07 -1.87 -3.38 114.58 123.10 1tl6 h GLU 24 Ca -0.16 0.00 0.43 0.00 -0.50 0.00 0.00 59.36 59.13 1tl6 h GLU 24 Cb 1.15 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.91 1tl6 h GLU 24 CO 0.27 0.37 0.73 -3.47 -1.40 0.00 0.00 179.01 175.50 1tl6 n ASP 25 N -2.99 0.24 -0.09 1.42 2.03 -1.26 -1.30 116.55 114.61 1tl6 n ASP 25 Ca -0.07 1.39 -0.11 0.00 0.52 0.00 0.00 54.79 56.52 1tl6 n ASP 25 Cb 0.82 -0.68 -0.04 0.00 -0.72 0.00 0.00 41.12 40.50 1tl6 n ASP 25 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1tl6 h ILE 26 N 0.00 1.25 -0.00 5.18 1.08 -1.88 -3.02 117.51 120.11 1tl6 h ILE 26 Ca 0.82 -0.89 -0.17 0.00 -0.39 0.00 0.00 64.86 64.24 1tl6 h ILE 26 Cb 2.49 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 37.54 1tl6 h ILE 26 CO -0.53 0.28 -0.77 1.62 -0.69 0.00 0.00 178.15 178.05 1tl6 h VAL 27 N 0.24 1.53 -0.81 1.67 3.04 -1.50 -2.25 116.25 118.17 1tl6 h VAL 27 Ca 0.08 -2.58 0.05 0.00 -1.01 0.00 0.00 66.70 63.23 1tl6 h VAL 27 Cb 0.40 2.40 -0.05 0.00 -2.01 0.00 0.00 31.29 32.03 1tl6 h VAL 27 CO 0.01 0.74 0.53 -0.33 -1.01 0.00 0.00 177.57 177.52 1tl6 h GLU 28 N 0.03 0.93 -3.52 4.17 5.08 -1.52 -3.29 114.58 116.46 1tl6 h GLU 28 Ca -0.01 -0.06 -0.72 0.00 -1.00 0.00 0.00 59.36 57.57 1tl6 h GLU 28 Cb 1.36 -0.21 -0.33 0.00 0.50 0.00 0.00 28.75 30.07 1tl6 h GLU 28 CO 0.10 0.62 -0.15 -0.80 -1.00 0.00 0.00 179.01 177.78 1tl6 s ASN 29 N -6.18 5.85 0.32 1.42 0.01 -1.15 -5.00 114.94 110.22 1tl6 s ASN 29 Ca -0.11 -3.18 0.07 0.00 -0.71 0.00 0.00 52.86 48.93 1tl6 s ASN 29 Cb 0.19 -1.95 0.90 0.00 0.41 0.00 0.00 41.25 40.80 1tl6 s ASN 29 CO 0.79 -0.33 1.59 0.03 -1.51 0.00 0.00 177.10 177.67 1tl6 h ARG 30 N 6.76 0.06 0.00 -0.60 2.47 -1.71 -0.61 114.38 120.76 1tl6 h ARG 30 Ca 0.08 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1tl6 h ARG 30 Cb 0.91 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 1tl6 h ARG 30 CO 0.78 0.04 0.00 0.00 0.56 0.00 0.00 179.97 181.35 1tl6 h ALA 31 N 1.94 1.00 0.24 0.04 0.00 -1.93 -0.80 119.26 119.75 1tl6 h ALA 31 Ca 0.65 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 55.23 1tl6 h ALA 31 Cb 1.47 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.29 1tl6 h ALA 31 CO -0.81 0.00 -1.51 -0.91 0.00 0.00 0.00 179.25 176.01 1tl6 h ASN 32 N 0.00 0.78 0.50 0.00 2.35 -1.32 -2.74 115.58 115.16 1tl6 h ASN 32 Ca 0.00 -0.93 -0.02 0.00 -0.55 0.00 0.00 56.30 54.81 1tl6 h ASN 32 Cb 0.29 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1tl6 h ASN 32 CO 0.00 1.72 -0.31 0.15 -1.65 0.00 0.00 177.43 177.34 1tl6 h PHE 33 N 0.11 -0.82 0.57 1.19 3.57 -0.56 -1.31 116.94 119.69 1tl6 h PHE 33 Ca -0.27 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.19 1tl6 h PHE 33 Cb 2.13 0.29 0.01 0.00 2.79 0.00 0.00 35.95 41.17 1tl6 h PHE 33 CO 0.13 -0.47 -0.27 0.82 -2.23 0.00 0.00 178.31 176.28 1tl6 h ILE 34 N -0.77 0.42 0.00 1.41 5.03 -1.41 -1.99 117.51 120.19 1tl6 h ILE 34 Ca -0.06 -0.13 0.00 0.00 -0.12 0.00 0.00 64.86 64.55 1tl6 h ILE 34 Cb 0.63 0.47 0.00 0.00 -3.03 0.00 0.00 36.82 34.89 1tl6 h ILE 34 CO 0.06 0.02 0.00 0.00 -0.68 0.00 0.00 178.15 177.55 1tl6 n ALA 35 N -2.47 1.67 0.04 1.87 0.00 -1.03 -0.31 120.51 120.27 1tl6 n ALA 35 Ca -0.12 -0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.17 1tl6 n ALA 35 Cb 0.33 -1.21 -0.13 0.00 0.00 0.00 0.00 19.45 18.43 1tl6 n ALA 35 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1tl6 h PHE 36 N 0.00 0.08 0.00 0.00 3.04 -0.96 -2.97 116.94 116.13 1tl6 h PHE 36 Ca 0.00 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.89 1tl6 h PHE 36 Cb 0.19 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.69 1tl6 h PHE 36 CO 0.00 1.06 0.00 -0.07 -2.02 0.00 0.00 178.31 177.28 1tl6 h LEU 37 N 0.01 0.00 -0.07 0.59 3.38 0.10 -2.80 115.31 116.51 1tl6 h LEU 37 Ca -0.13 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1tl6 h LEU 37 Cb 1.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.63 1tl6 h LEU 37 CO 0.12 0.00 -0.26 0.78 0.09 0.00 0.00 178.44 179.17 1tl6 h ASN 38 N 0.00 0.35 -0.87 -0.43 -0.26 -1.22 -1.57 115.58 111.58 1tl6 h ASN 38 Ca 0.00 -0.63 0.17 0.00 -0.56 0.00 0.00 56.30 55.28 1tl6 h ASN 38 Cb 0.11 -0.10 -0.16 0.00 -1.06 0.00 0.00 38.32 37.10 1tl6 h ASN 38 CO 0.00 0.92 -0.24 -0.62 -1.06 0.00 0.00 177.43 176.43 1tl6 n GLU 39 N -4.48 -0.11 -0.17 0.81 -0.58 -1.07 -1.10 120.64 113.95 1tl6 n GLU 39 Ca -0.08 1.36 -0.01 0.00 -0.42 0.00 0.00 57.16 58.00 1tl6 n GLU 39 Cb 0.47 -2.03 0.22 0.00 -0.57 0.00 0.00 31.44 29.53 1tl6 n GLU 39 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1tl6 h ILE 40 N 0.00 1.21 0.00 -3.67 2.04 -1.52 -3.47 117.51 112.10 1tl6 h ILE 40 Ca 0.39 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1tl6 h ILE 40 Cb 0.61 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1tl6 h ILE 40 CO -0.89 0.25 0.00 0.61 0.00 0.00 0.00 178.15 178.11 1tl6 n GLY 41 N -1.13 0.93 3.53 5.37 0.00 -0.26 -5.13 105.19 108.52 1tl6 n GLY 41 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.42 3.83 0.22 1.61 1.01 -0.61 -5.03 120.40 120.00 1tl6 s VAL 42 Ca 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 1tl6 s VAL 42 Cb 0.00 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1tl6 s VAL 42 CO 0.00 0.54 0.25 0.42 0.00 0.00 0.00 175.10 176.30 1tl6 s THR 43 N -0.11 0.00 0.00 3.92 -4.23 -1.26 -1.92 115.64 112.04 1tl6 s THR 43 Ca 0.02 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 1tl6 s THR 43 Cb -0.13 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1tl6 s THR 43 CO 0.03 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.11 1tl6 n HIS 44 N -0.31 0.00 -2.11 3.99 1.44 -0.14 -4.72 115.22 113.37 1tl6 n HIS 44 Ca 0.01 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.33 1tl6 n HIS 44 Cb 0.65 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.73 1tl6 n HIS 44 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1tl6 n GLU 45 N 0.00 2.44 0.00 -1.40 1.02 -1.26 -4.07 120.64 117.38 1tl6 n GLU 45 Ca 0.00 -2.75 0.00 0.00 -0.02 0.00 0.00 57.16 54.39 1tl6 n GLU 45 Cb 0.00 -3.46 0.00 0.00 -0.02 0.00 0.00 31.44 27.96 1tl6 n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tl6 n GLY 46 N 5.20 2.89 3.57 0.62 0.00 -1.26 -4.97 105.19 111.24 1tl6 n GLY 46 Ca 0.48 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.26 1tl6 n GLY 46 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1tl6 s ARG 47 N -0.11 1.96 0.54 1.61 3.52 -1.26 -5.12 118.95 120.08 1tl6 s ARG 47 Ca 0.00 -1.71 -0.21 0.00 -0.13 0.00 0.00 55.73 53.68 1tl6 s ARG 47 Cb 0.00 -1.89 -0.07 0.00 -1.56 0.00 0.00 34.95 31.43 1tl6 s ARG 47 CO 0.00 0.25 1.04 1.63 -0.81 0.00 0.00 175.30 177.41 1tl6 n LYS 48 N -0.81 1.18 -2.41 5.12 4.76 -1.26 -0.96 118.16 123.77 1tl6 n LYS 48 Ca -0.05 0.44 -0.42 0.00 -2.87 0.00 0.00 58.31 55.40 1tl6 n LYS 48 Cb 0.61 -2.19 -0.03 0.00 -1.84 0.00 0.00 35.03 31.58 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 -1.75 4.25 0.07 -0.35 2.96 -0.81 -4.67 118.68 118.39 1tl6 s LEU 49 Ca 0.71 1.82 0.04 0.00 -0.22 0.00 0.00 54.13 56.48 1tl6 s LEU 49 Cb -0.46 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.64 1tl6 s LEU 49 CO 0.51 -0.67 0.03 0.20 -1.32 0.00 0.00 176.35 175.09 1tl6 s ASN 50 N 1.74 5.21 0.28 3.68 -0.87 -1.26 -4.79 114.94 118.93 1tl6 s ASN 50 Ca 0.57 -0.09 0.05 0.00 -1.57 0.00 0.00 52.86 51.81 1tl6 s ASN 50 Cb -0.25 -1.31 0.40 0.00 -0.02 0.00 0.00 41.25 40.07 1tl6 s ASN 50 CO 0.20 0.19 1.67 -0.61 -2.57 0.00 0.00 177.10 175.99 1tl6 h GLN 51 N 3.54 0.31 0.00 -0.60 -0.00 -1.97 -2.64 115.11 113.75 1tl6 h GLN 51 Ca -0.48 -0.15 0.00 0.00 -0.00 0.00 0.00 58.65 58.02 1tl6 h GLN 51 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.65 1tl6 h GLN 51 CO 0.61 0.67 0.00 -2.95 0.00 0.00 0.00 178.83 177.17 1tl6 h ASN 52 N 0.26 0.00 -0.09 -0.69 -1.07 -2.02 -3.35 115.58 108.61 1tl6 h ASN 52 Ca 0.02 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.37 1tl6 h ASN 52 Cb 0.85 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.08 1tl6 h ASN 52 CO 0.07 0.00 0.03 -1.54 0.07 0.00 0.00 177.43 176.05 1tl6 n SER 53 N -2.47 2.06 -0.30 6.14 3.41 -0.99 -4.40 113.62 117.06 1tl6 n SER 53 Ca 0.01 -2.15 0.07 0.00 -0.26 0.00 0.00 58.87 56.54 1tl6 n SER 53 Cb 0.20 -0.53 0.28 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.41 0.99 0.06 7.33 3.57 -1.82 -2.75 116.94 124.73 1tl6 h PHE 54 Ca 0.02 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1tl6 h PHE 54 Cb 0.86 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1tl6 h PHE 54 CO 0.16 0.46 -0.03 -0.09 -2.23 0.00 0.00 178.31 176.58 1tl6 h ARG 55 N 0.92 -0.07 -0.19 1.11 1.12 -1.96 0.35 114.38 115.65 1tl6 h ARG 55 Ca 0.42 0.00 0.06 0.00 -1.11 0.00 0.00 59.98 59.35 1tl6 h ARG 55 Cb 0.39 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.36 1tl6 h ARG 55 CO -0.18 -0.01 0.25 -0.22 -3.11 0.00 0.00 179.97 176.69 1tl6 h LYS 56 N -0.11 0.00 0.00 0.20 1.63 -1.84 -2.92 116.57 113.53 1tl6 h LYS 56 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1tl6 h LYS 56 Cb 0.09 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1tl6 h LYS 56 CO 0.01 0.00 -0.03 0.82 -3.45 0.00 0.00 179.45 176.81 1tl6 h ILE 57 N 0.00 0.00 -0.28 2.00 2.04 -1.30 -3.40 117.51 116.57 1tl6 h ILE 57 Ca 0.09 -0.08 -0.15 0.00 1.00 0.00 0.00 64.86 65.72 1tl6 h ILE 57 Cb 0.58 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1tl6 h ILE 57 CO -0.00 0.00 -0.44 1.62 0.00 0.00 0.00 178.15 179.32 1tl6 h VAL 58 N -0.08 1.29 -0.00 1.67 3.04 -0.12 -0.78 116.25 121.27 1tl6 h VAL 58 Ca 0.00 -1.63 0.00 0.00 -1.01 0.00 0.00 66.70 64.06 1tl6 h VAL 58 Cb 0.03 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 1tl6 h VAL 58 CO 0.00 0.52 -0.01 -1.54 -1.01 0.00 0.00 177.57 175.54 1tl6 n SER 59 N -4.02 0.14 0.07 3.17 3.41 -1.12 -2.63 113.62 112.63 1tl6 n SER 59 Ca -0.02 -0.88 0.12 0.00 -0.26 0.00 0.00 58.87 57.82 1tl6 n SER 59 Cb 0.56 -0.05 0.17 0.00 -0.26 0.00 0.00 64.21 64.63 1tl6 n SER 59 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1tl6 h GLU 60 N 0.22 0.00 -5.89 4.33 4.39 -1.28 -3.45 114.58 112.91 1tl6 h GLU 60 Ca 0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 1tl6 h GLU 60 Cb 0.10 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.68 1tl6 h GLU 60 CO 0.00 0.00 0.30 -0.51 -1.16 0.00 0.00 179.01 177.64 1tl6 s LEU 61 N -4.31 4.18 0.00 1.33 1.43 -1.08 -5.05 118.68 115.18 1tl6 s LEU 61 Ca 0.06 1.10 -0.02 0.00 -1.03 0.00 0.00 54.13 54.24 1tl6 s LEU 61 Cb 0.13 -3.14 0.12 0.00 0.03 0.00 0.00 46.19 43.32 1tl6 s LEU 61 CO 0.72 -0.35 0.79 0.41 0.23 0.00 0.00 176.35 178.15 1tl6 n THR 62 N 4.65 0.00 -0.30 5.49 -1.04 -1.26 -4.82 114.28 117.00 1tl6 n THR 62 Ca 0.03 -1.12 -0.03 0.00 -2.04 0.00 0.00 64.05 60.89 1tl6 n THR 62 Cb 0.49 -1.10 0.12 0.00 -1.82 0.00 0.00 70.33 68.02 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 1.18 -0.88 -2.82 4.20 -1.98 0.19 115.11 115.01 1tl6 h GLN 63 Ca -0.26 -0.15 0.08 0.00 0.06 0.00 0.00 58.65 58.39 1tl6 h GLN 63 Cb 0.91 -0.23 -0.11 0.00 0.30 0.00 0.00 27.48 28.36 1tl6 h GLN 63 CO 0.26 0.88 -0.54 0.93 -0.67 0.00 0.00 178.83 179.69 1tl6 h GLU 64 N 1.18 -0.03 -0.24 1.46 5.08 -2.00 -2.54 114.58 117.49 1tl6 h GLU 64 Ca 0.29 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1tl6 h GLU 64 Cb 0.05 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1tl6 h GLU 64 CO -0.04 -0.02 -0.02 -0.44 -1.00 0.00 0.00 179.01 177.49 1tl6 h ASP 65 N -0.03 0.44 -0.25 1.42 5.19 -1.82 -2.73 116.42 118.64 1tl6 h ASP 65 Ca 0.14 -0.33 0.06 0.00 -0.62 0.00 0.00 57.03 56.29 1tl6 h ASP 65 Cb 0.39 -0.12 -0.07 0.00 0.18 0.00 0.00 39.33 39.71 1tl6 h ASP 65 CO -0.84 0.66 -0.21 0.50 -3.12 0.00 0.00 179.24 176.23 1tl6 h LYS 66 N 0.21 -0.19 0.07 3.56 3.11 -0.44 -1.41 116.57 121.48 1tl6 h LYS 66 Ca 0.07 0.01 -0.26 0.00 -2.81 0.00 0.00 60.65 57.67 1tl6 h LYS 66 Cb 0.44 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.71 1tl6 h LYS 66 CO 0.02 -0.13 -1.21 -0.22 -2.81 0.00 0.00 179.45 175.10 1tl6 h LYS 67 N -0.20 0.16 -0.63 1.90 1.63 -1.56 -3.11 116.57 114.75 1tl6 h LYS 67 Ca 0.14 -0.27 0.11 0.00 -0.85 0.00 0.00 60.65 59.78 1tl6 h LYS 67 Cb 0.41 0.10 -0.08 0.00 -0.60 0.00 0.00 32.23 32.06 1tl6 h LYS 67 CO -0.37 1.09 0.19 1.15 -3.45 0.00 0.00 179.45 178.07 1tl6 h THR 68 N 0.04 0.68 0.25 1.00 2.02 -1.12 0.28 112.91 116.06 1tl6 h THR 68 Ca -0.11 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 1tl6 h THR 68 Cb 1.91 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1tl6 h THR 68 CO 0.17 0.06 -0.19 0.25 0.37 0.00 0.00 175.52 176.18 1tl6 h LEU 69 N 0.34 -0.48 0.06 2.58 5.85 -1.28 -0.20 115.31 122.17 1tl6 h LEU 69 Ca 0.33 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.11 1tl6 h LEU 69 Cb 0.47 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1tl6 h LEU 69 CO -0.37 -0.29 -0.15 0.40 -0.34 0.00 0.00 178.44 177.68 1tl6 h ILE 70 N -0.44 0.64 -0.03 4.05 2.04 -1.41 -0.16 117.51 122.19 1tl6 h ILE 70 Ca -0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.88 1tl6 h ILE 70 Cb 0.39 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 1tl6 h ILE 70 CO -0.01 0.00 -0.36 -0.78 0.00 0.00 0.00 178.15 177.00 1tl6 h ASP 71 N -0.29 -1.09 0.15 1.72 1.82 -0.35 -2.39 116.42 116.00 1tl6 h ASP 71 Ca 0.03 0.14 -0.18 0.00 -0.39 0.00 0.00 57.03 56.63 1tl6 h ASP 71 Cb 0.32 0.44 -0.00 0.00 0.68 0.00 0.00 39.33 40.76 1tl6 h ASP 71 CO -0.11 -0.41 -0.68 -0.33 -1.61 0.00 0.00 179.24 176.11 1tl6 h GLU 72 N -0.50 0.49 -2.21 0.28 5.08 -1.03 -3.35 114.58 113.34 1tl6 h GLU 72 Ca 0.06 -0.37 -0.60 0.00 -1.00 0.00 0.00 59.36 57.46 1tl6 h GLU 72 Cb 0.59 0.07 -0.42 0.00 0.50 0.00 0.00 28.75 29.50 1tl6 h GLU 72 CO -0.30 0.99 -0.66 0.34 -1.00 0.00 0.00 179.01 178.38 1tl6 n PHE 73 N -3.89 3.09 0.20 4.33 7.35 -0.08 -4.89 117.46 123.58 1tl6 n PHE 73 Ca -0.04 -4.08 0.08 0.00 -0.76 0.00 0.00 57.45 52.65 1tl6 n PHE 73 Cb 0.68 -0.53 0.31 0.00 0.35 0.00 0.00 39.48 40.29 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 4.21 0.00 -0.99 -2.13 -0.00 -1.57 -2.82 115.58 112.28 1tl6 h ASN 74 Ca 0.18 0.00 0.06 0.00 -0.00 0.00 0.00 56.30 56.54 1tl6 h ASN 74 Cb 0.69 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 38.95 1tl6 h ASN 74 CO 0.78 0.28 0.64 -0.08 -0.00 0.00 0.00 177.43 179.05 1tl6 h GLU 75 N 0.00 1.13 -0.63 6.67 4.81 -1.90 -2.24 114.58 122.42 1tl6 h GLU 75 Ca -0.00 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1tl6 h GLU 75 Cb 0.95 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 1tl6 h GLU 75 CO 0.04 0.74 0.13 0.78 -0.73 0.00 0.00 179.01 179.97 1tl6 h GLY 76 N 1.16 1.10 0.82 1.92 0.00 -1.88 -3.13 103.07 103.06 1tl6 h GLY 76 Ca 0.42 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1tl6 h GLY 76 CO -0.17 0.66 -0.16 -2.75 0.00 0.00 0.00 176.54 174.12 1tl6 h PHE 77 N 0.94 -0.42 -0.25 5.60 3.57 -1.51 -3.14 116.94 121.73 1tl6 h PHE 77 Ca 0.19 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.72 1tl6 h PHE 77 Cb 0.39 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 1tl6 h PHE 77 CO 0.03 -0.25 -0.23 1.49 -2.23 0.00 0.00 178.31 177.12 1tl6 h GLU 78 N -0.36 -0.10 0.27 1.11 4.22 -1.36 -1.34 114.58 117.01 1tl6 h GLU 78 Ca -0.00 0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.45 1tl6 h GLU 78 Cb 0.34 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1tl6 h GLU 78 CO -0.03 -0.07 -0.42 0.78 -2.18 0.00 0.00 179.01 177.10 1tl6 h GLY 79 N -0.10 -0.92 2.00 1.92 0.00 -1.63 -2.80 103.07 101.54 1tl6 h GLY 79 Ca 0.04 0.49 -0.03 0.00 0.00 0.00 0.00 47.33 47.84 1tl6 h GLY 79 CO -0.29 -0.30 -0.12 -0.24 0.00 0.00 0.00 176.54 175.59 1tl6 h VAL 80 N -0.75 0.29 0.42 4.60 3.04 -1.52 -0.92 116.25 121.41 1tl6 h VAL 80 Ca -0.01 -0.88 -0.02 0.00 -1.01 0.00 0.00 66.70 64.78 1tl6 h VAL 80 Cb 0.71 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 1tl6 h VAL 80 CO -0.15 0.12 -0.20 0.22 -1.01 0.00 0.00 177.57 176.54 1tl6 h TYR 81 N 0.00 -0.53 -0.44 3.17 3.20 -1.15 -1.05 116.97 120.17 1tl6 h TYR 81 Ca -0.00 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 1tl6 h TYR 81 Cb 0.69 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 1tl6 h TYR 81 CO 0.00 -0.27 -0.17 0.00 -1.64 0.00 0.00 178.16 176.08 1tl6 h ARG 82 N -0.68 0.85 -0.26 1.82 3.08 -1.26 -2.44 114.38 115.48 1tl6 h ARG 82 Ca -0.06 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.66 1tl6 h ARG 82 Cb 0.49 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1tl6 h ARG 82 CO 0.10 0.95 0.14 -0.92 -1.07 0.00 0.00 179.97 179.17 1tl6 h TYR 83 N 0.75 0.37 -0.69 3.04 5.03 -1.22 -2.28 116.97 121.97 1tl6 h TYR 83 Ca 0.11 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.39 1tl6 h TYR 83 Cb 0.69 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 38.82 1tl6 h TYR 83 CO 0.04 0.33 0.36 1.25 -1.32 0.00 0.00 178.16 178.81 1tl6 h LEU 84 N 0.31 0.88 -0.20 2.82 6.46 -1.06 0.18 115.31 124.70 1tl6 h LEU 84 Ca 0.09 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1tl6 h LEU 84 Cb 0.08 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 1tl6 h LEU 84 CO -0.01 0.74 0.11 -0.08 -0.62 0.00 0.00 178.44 178.58 1tl6 h GLU 85 N 0.96 0.28 0.22 1.25 4.57 -1.40 -2.99 114.58 117.47 1tl6 h GLU 85 Ca 0.24 -0.03 -0.31 0.00 -1.18 0.00 0.00 59.36 58.08 1tl6 h GLU 85 Cb 0.07 -0.06 0.03 0.00 -0.16 0.00 0.00 28.75 28.64 1tl6 h GLU 85 CO -0.04 0.26 -1.37 0.52 -1.18 0.00 0.00 179.01 177.21 1tl6 h MET 86 N 0.23 0.47 0.00 1.92 2.86 -1.22 -3.44 114.93 115.75 1tl6 h MET 86 Ca 0.07 -0.81 0.00 0.00 -2.06 0.00 0.00 59.70 56.90 1tl6 h MET 86 Cb 0.06 0.30 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1tl6 h MET 86 CO -0.01 1.39 0.00 0.66 1.06 0.00 0.00 176.91 180.01 1tl6 n TYR 87 N -3.80 0.00 -3.68 -0.22 4.02 0.63 -5.10 117.16 109.01 1tl6 n TYR 87 Ca -0.17 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.68 1tl6 n TYR 87 Cb 1.04 -0.03 -0.01 0.00 -0.02 0.00 0.00 39.34 40.31 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 -0.58 0.00 -0.18 -0.72 -1.32 -1.13 -5.02 115.64 106.69 1tl6 s THR 88 Ca 0.00 -0.44 -0.10 0.00 -1.21 0.00 0.00 61.69 59.95 1tl6 s THR 88 Cb 0.00 -1.74 -0.05 0.00 -1.51 0.00 0.00 72.50 69.20 1tl6 s THR 88 CO 0.00 0.00 0.15 0.20 -2.21 0.00 0.00 174.62 172.76 1tl6 s ASN 89 N -2.82 6.28 0.00 8.08 0.01 -1.26 -4.28 114.94 120.95 1tl6 s ASN 89 Ca 0.11 0.32 0.16 0.00 -0.71 0.00 0.00 52.86 52.74 1tl6 s ASN 89 Cb -0.00 -2.10 0.94 0.00 0.41 0.00 0.00 41.25 40.50 1tl6 s ASN 89 CO -0.01 0.23 1.35 0.29 -1.51 0.00 0.00 177.10 177.44