#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 1.11 0.27 3.52 1.02 -1.26 -4.98 119.74 119.42 1tl6 s LYS 3 Ca 0.00 -0.91 0.24 0.00 0.02 0.00 0.00 55.97 55.31 1tl6 s LYS 3 Cb 0.00 -2.12 0.33 0.00 -0.52 0.00 0.00 37.83 35.52 1tl6 s LYS 3 CO 0.00 -1.94 1.42 -0.91 -0.92 0.00 0.00 175.35 173.01 1tl6 h ASN 4 N -1.05 0.00 0.16 2.83 4.21 -1.95 -3.20 115.58 116.58 1tl6 h ASN 4 Ca -0.39 -0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.07 1tl6 h ASN 4 Cb 1.25 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 1tl6 h ASN 4 CO 0.36 0.02 -0.08 0.40 -1.29 0.00 0.00 177.43 176.85 1tl6 h ILE 5 N 0.00 0.96 -0.67 2.81 2.04 -1.95 0.87 117.51 121.58 1tl6 h ILE 5 Ca 0.00 -0.57 0.07 0.00 1.00 0.00 0.00 64.86 65.36 1tl6 h ILE 5 Cb 0.90 1.31 -0.10 0.00 -0.74 0.00 0.00 36.82 38.19 1tl6 h ILE 5 CO 0.00 0.13 -0.55 0.44 0.00 0.00 0.00 178.15 178.17 1tl6 h ASP 6 N -0.49 -1.93 -0.02 1.72 5.19 -1.97 0.48 116.42 119.40 1tl6 h ASP 6 Ca -0.02 0.28 0.02 0.00 -0.62 0.00 0.00 57.03 56.69 1tl6 h ASP 6 Cb 0.38 0.83 -0.04 0.00 0.18 0.00 0.00 39.33 40.68 1tl6 h ASP 6 CO 0.04 -0.33 -0.42 0.74 -3.12 0.00 0.00 179.24 176.15 1tl6 h THR 7 N -0.22 0.00 -0.71 0.35 2.02 -1.54 -3.14 112.91 109.68 1tl6 h THR 7 Ca 0.13 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 1tl6 h THR 7 Cb 0.52 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 1tl6 h THR 7 CO -0.75 0.00 0.29 0.58 0.37 0.00 0.00 175.52 176.01 1tl6 h VAL 8 N -0.51 1.25 -0.09 3.16 2.07 -0.56 -2.65 116.25 118.91 1tl6 h VAL 8 Ca 0.01 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.71 1tl6 h VAL 8 Cb 0.55 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1tl6 h VAL 8 CO -0.29 0.31 -0.22 0.08 0.02 0.00 0.00 177.57 177.47 1tl6 h ARG 9 N 1.00 0.15 -0.63 1.57 0.11 -0.10 -0.55 114.38 115.94 1tl6 h ARG 9 Ca 0.24 -0.04 -0.09 0.00 0.10 0.00 0.00 59.98 60.18 1tl6 h ARG 9 Cb 0.20 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.24 1tl6 h ARG 9 CO -0.02 0.37 0.04 0.93 0.10 0.00 0.00 179.97 181.39 1tl6 h GLU 10 N 0.14 1.09 0.68 0.08 5.08 -1.46 0.15 114.58 120.34 1tl6 h GLU 10 Ca 0.02 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 1tl6 h GLU 10 Cb 0.47 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1tl6 h GLU 10 CO 0.03 1.04 -0.45 0.82 -1.00 0.00 0.00 179.01 179.45 1tl6 h ILE 11 N 1.00 0.00 -0.26 3.13 2.04 -0.97 -2.83 117.51 119.63 1tl6 h ILE 11 Ca 0.18 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.04 1tl6 h ILE 11 Cb 0.52 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1tl6 h ILE 11 CO 0.03 0.00 0.15 0.40 0.00 0.00 0.00 178.15 178.72 1tl6 h ILE 12 N -1.07 1.11 -0.51 -0.67 2.04 -1.10 -1.30 117.51 116.02 1tl6 h ILE 12 Ca -0.09 -0.29 -0.13 0.00 1.00 0.00 0.00 64.86 65.36 1tl6 h ILE 12 Cb 0.86 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1tl6 h ILE 12 CO 0.07 0.11 -0.18 0.74 0.00 0.00 0.00 178.15 178.89 1tl6 h THR 13 N 0.31 1.27 -0.09 -0.27 2.02 -0.80 0.27 112.91 115.63 1tl6 h THR 13 Ca 0.09 -1.35 -0.19 0.00 0.77 0.00 0.00 66.41 65.73 1tl6 h THR 13 Cb 0.05 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1tl6 h THR 13 CO -0.02 0.47 -0.75 0.58 0.37 0.00 0.00 175.52 176.17 1tl6 h VAL 14 N 0.88 1.36 0.20 3.16 2.07 -1.48 -1.10 116.25 121.35 1tl6 h VAL 14 Ca 0.12 -2.13 0.01 0.00 0.82 0.00 0.00 66.70 65.52 1tl6 h VAL 14 Cb 0.76 2.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 1tl6 h VAL 14 CO 0.06 0.65 -0.26 0.00 0.02 0.00 0.00 177.57 178.04 1tl6 h ALA 15 N 0.85 -0.50 -0.39 1.67 0.00 -1.07 -2.57 119.26 117.24 1tl6 h ALA 15 Ca -0.04 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1tl6 h ALA 15 Cb 1.34 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 19.45 1tl6 h ALA 15 CO 0.13 -0.82 -0.11 1.03 0.00 0.00 0.00 179.25 179.48 1tl6 h SER 16 N -0.52 -0.41 -0.80 0.00 0.87 -0.31 0.98 113.55 113.36 1tl6 h SER 16 Ca 0.01 0.12 0.04 0.00 -1.23 0.00 0.00 61.79 60.73 1tl6 h SER 16 Cb 0.51 0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 62.68 1tl6 h SER 16 CO -0.09 -0.15 0.51 0.40 -0.53 0.00 0.00 176.83 176.97 1tl6 h ILE 17 N -0.02 1.11 0.00 2.23 2.04 -1.20 0.19 117.51 121.86 1tl6 h ILE 17 Ca 0.19 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 1tl6 h ILE 17 Cb 0.31 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1tl6 h ILE 17 CO -0.41 0.18 -0.24 0.25 0.00 0.00 0.00 178.15 177.92 1tl6 h LEU 18 N 0.98 0.00 0.00 1.44 7.12 -0.98 -3.35 115.31 120.52 1tl6 h LEU 18 Ca 0.32 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 58.30 1tl6 h LEU 18 Cb 0.03 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.16 1tl6 h LEU 18 CO -0.12 0.24 -0.40 0.16 -0.13 0.00 0.00 178.44 178.19 1tl6 h ILE 19 N 0.00 0.34 0.00 4.05 3.07 -0.40 0.18 117.51 124.75 1tl6 h ILE 19 Ca -0.00 -1.33 0.00 0.00 1.55 0.00 0.00 64.86 65.08 1tl6 h ILE 19 Cb 1.08 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.34 1tl6 h ILE 19 CO 0.03 0.11 0.00 1.17 -1.05 0.00 0.00 178.15 178.42 1tl6 n LYS 20 N -4.64 0.00 -0.69 0.16 0.00 0.63 -1.62 118.16 112.00 1tl6 n LYS 20 Ca -0.09 0.26 0.08 0.00 0.00 0.00 0.00 58.31 58.56 1tl6 n LYS 20 Cb 0.26 -0.50 0.35 0.00 0.00 0.00 0.00 35.03 35.14 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 -0.89 1.60 0.00 5.64 3.72 -1.26 -4.83 117.46 121.44 1tl6 n PHE 21 Ca 0.00 -0.73 0.00 0.00 -0.05 0.00 0.00 57.45 56.67 1tl6 n PHE 21 Cb 0.00 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.16 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 0.46 0.00 -3.46 4.37 7.64 -0.64 -5.08 113.62 116.91 1tl6 n SER 22 Ca 0.25 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.85 1tl6 n SER 22 Cb 1.02 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 64.10 1tl6 n SER 22 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1tl6 s ARG 23 N -0.31 0.50 -0.03 1.43 6.06 0.05 -4.97 118.95 121.69 1tl6 s ARG 23 Ca 0.00 -1.17 0.09 0.00 -2.50 0.00 0.00 55.73 52.14 1tl6 s ARG 23 Cb 0.00 -1.22 -0.23 0.00 0.06 0.00 0.00 34.95 33.56 1tl6 s ARG 23 CO 0.00 -1.18 0.73 0.93 -2.50 0.00 0.00 175.30 173.27 1tl6 h GLU 24 N 7.21 0.05 0.00 5.12 5.08 -1.81 -3.37 114.58 126.85 1tl6 h GLU 24 Ca 0.03 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1tl6 h GLU 24 Cb 0.98 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1tl6 h GLU 24 CO 0.28 0.68 0.11 -0.25 -1.00 0.00 0.00 179.01 178.83 1tl6 n ASP 25 N -3.16 0.38 0.01 1.42 8.00 -1.26 -1.20 116.55 120.74 1tl6 n ASP 25 Ca -0.16 0.63 0.07 0.00 0.71 0.00 0.00 54.79 56.04 1tl6 n ASP 25 Cb 1.04 -0.65 -0.11 0.00 -0.02 0.00 0.00 41.12 41.37 1tl6 n ASP 25 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1tl6 n ILE 26 N -2.02 0.49 0.19 0.53 -5.35 -1.26 -4.01 119.36 107.92 1tl6 n ILE 26 Ca -0.01 -0.58 0.07 0.00 -0.27 0.00 0.00 62.75 61.96 1tl6 n ILE 26 Cb 0.13 -0.24 0.24 0.00 -1.74 0.00 0.00 39.64 38.03 1tl6 n ILE 26 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 1tl6 h VAL 27 N 0.00 0.56 -0.07 7.28 2.07 -1.39 -2.04 116.25 122.67 1tl6 h VAL 27 Ca -0.09 -1.53 0.03 0.00 0.82 0.00 0.00 66.70 65.93 1tl6 h VAL 27 Cb 1.23 2.07 -0.06 0.00 -1.52 0.00 0.00 31.29 33.01 1tl6 h VAL 27 CO 0.01 0.29 -0.50 -0.08 0.02 0.00 0.00 177.57 177.31 1tl6 h GLU 28 N 0.00 -0.58 -3.66 1.57 4.22 -1.68 -3.32 114.58 111.14 1tl6 h GLU 28 Ca -0.00 0.04 -0.74 0.00 0.08 0.00 0.00 59.36 58.74 1tl6 h GLU 28 Cb 1.04 0.13 -0.31 0.00 0.50 0.00 0.00 28.75 30.11 1tl6 h GLU 28 CO 0.04 -0.38 -0.13 1.21 -2.18 0.00 0.00 179.01 177.56 1tl6 s ASN 29 N -4.81 5.97 0.00 1.04 3.84 -1.21 -4.97 114.94 114.79 1tl6 s ASN 29 Ca -0.16 -2.87 0.12 0.00 0.21 0.00 0.00 52.86 50.17 1tl6 s ASN 29 Cb 0.08 -2.02 0.62 0.00 -0.55 0.00 0.00 41.25 39.38 1tl6 s ASN 29 CO 0.62 -0.44 1.29 -2.11 -2.79 0.00 0.00 177.10 173.67 1tl6 n ARG 30 N 3.59 0.19 0.09 0.43 1.85 -1.24 -1.01 116.66 120.56 1tl6 n ARG 30 Ca 0.12 0.16 -0.08 0.00 -1.00 0.00 0.00 57.85 57.04 1tl6 n ARG 30 Cb 0.42 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.29 1tl6 n ARG 30 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1tl6 h ALA 31 N 2.59 0.47 -0.29 2.89 0.00 -1.93 -2.79 119.26 120.20 1tl6 h ALA 31 Ca 0.00 -0.78 -0.05 0.00 0.00 0.00 0.00 54.91 54.09 1tl6 h ALA 31 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1tl6 h ALA 31 CO 0.00 1.00 -0.01 -0.91 0.00 0.00 0.00 179.25 179.33 1tl6 h ASN 32 N 0.06 0.51 -0.53 0.00 2.35 -1.25 -2.72 115.58 114.01 1tl6 h ASN 32 Ca -0.04 -0.32 0.10 0.00 -0.55 0.00 0.00 56.30 55.50 1tl6 h ASN 32 Cb 1.59 -0.14 -0.11 0.00 0.05 0.00 0.00 38.32 39.72 1tl6 h ASN 32 CO 0.14 0.70 -0.22 0.15 -1.65 0.00 0.00 177.43 176.55 1tl6 h PHE 33 N 0.30 -0.55 0.13 1.19 3.57 -1.39 -2.56 116.94 117.62 1tl6 h PHE 33 Ca 0.08 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1tl6 h PHE 33 Cb 0.44 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1tl6 h PHE 33 CO 0.04 -0.31 -0.19 0.82 -2.23 0.00 0.00 178.31 176.44 1tl6 h ILE 34 N -0.10 0.57 0.00 1.41 2.04 -1.25 -0.89 117.51 119.29 1tl6 h ILE 34 Ca 0.24 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.10 1tl6 h ILE 34 Cb 0.48 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1tl6 h ILE 34 CO -0.59 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.56 1tl6 n ALA 35 N -2.47 1.91 0.08 1.87 0.00 -1.05 -0.48 120.51 120.37 1tl6 n ALA 35 Ca -0.07 0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.39 1tl6 n ALA 35 Cb 0.23 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.25 1tl6 n ALA 35 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1tl6 h PHE 36 N 0.00 0.00 0.04 0.00 -1.00 -1.01 -3.14 116.94 111.83 1tl6 h PHE 36 Ca 0.00 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.56 1tl6 h PHE 36 Cb 0.46 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 1tl6 h PHE 36 CO 0.00 0.52 -1.01 1.25 -1.61 0.00 0.00 178.31 177.46 1tl6 h LEU 37 N 0.00 0.27 -0.25 1.54 5.85 -0.10 -3.32 115.31 119.31 1tl6 h LEU 37 Ca -0.09 -0.25 -0.20 0.00 0.84 0.00 0.00 57.88 58.17 1tl6 h LEU 37 Cb 1.48 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1tl6 h LEU 37 CO 0.05 1.12 -0.67 0.78 -0.34 0.00 0.00 178.44 179.38 1tl6 h ASN 38 N 0.08 0.92 -0.68 1.25 2.35 -0.89 -3.12 115.58 115.49 1tl6 h ASN 38 Ca -0.07 -0.55 0.23 0.00 -0.55 0.00 0.00 56.30 55.36 1tl6 h ASN 38 Cb 1.70 -0.27 -0.12 0.00 0.05 0.00 0.00 38.32 39.67 1tl6 h ASN 38 CO 0.16 1.35 0.18 1.21 -1.65 0.00 0.00 177.43 178.67 1tl6 n GLU 39 N -3.96 -0.05 -0.31 0.81 0.00 -1.19 -1.49 120.64 114.45 1tl6 n GLU 39 Ca -0.06 0.98 0.17 0.00 0.00 0.00 0.00 57.16 58.25 1tl6 n GLU 39 Cb 0.69 -1.65 0.42 0.00 0.00 0.00 0.00 31.44 30.90 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 0.67 0.00 6.31 1.08 -1.64 -3.45 117.51 120.47 1tl6 h ILE 40 Ca 0.49 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.76 1tl6 h ILE 40 Cb 1.17 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 1tl6 h ILE 40 CO -0.59 0.11 0.00 0.61 -0.69 0.00 0.00 178.15 177.59 1tl6 n GLY 41 N -1.42 1.72 3.57 5.37 0.00 -0.56 -5.10 105.19 108.78 1tl6 n GLY 41 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 4.37 0.21 1.61 1.01 -1.21 -5.03 120.40 119.36 1tl6 s VAL 42 Ca 0.00 0.88 0.10 0.00 0.00 0.00 0.00 61.98 62.97 1tl6 s VAL 42 Cb 0.00 -4.51 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 1tl6 s VAL 42 CO 0.00 -0.92 -0.16 0.42 0.00 0.00 0.00 175.10 174.44 1tl6 s THR 43 N 4.03 2.78 0.00 3.92 -4.23 -1.26 -4.76 115.64 116.12 1tl6 s THR 43 Ca 0.41 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 1tl6 s THR 43 Cb -0.09 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.36 1tl6 s THR 43 CO 0.28 -0.19 0.00 1.41 -0.54 0.00 0.00 174.62 175.58 1tl6 n HIS 44 N -0.08 0.00 -1.98 3.99 8.25 -1.19 -5.01 115.22 119.20 1tl6 n HIS 44 Ca -0.10 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.95 1tl6 n HIS 44 Cb 0.57 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.67 1tl6 n HIS 44 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1tl6 n GLU 45 N 0.00 3.71 0.00 -0.41 1.02 -1.26 -4.34 120.64 119.36 1tl6 n GLU 45 Ca 0.00 -3.13 0.00 0.00 -0.02 0.00 0.00 57.16 54.01 1tl6 n GLU 45 Cb 0.00 -2.91 0.00 0.00 -0.02 0.00 0.00 31.44 28.51 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 2.91 2.63 3.32 0.62 0.00 -1.26 -4.93 105.19 108.48 1tl6 n GLY 46 Ca 0.53 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 1.59 0.84 1.61 1.81 -1.26 -5.16 118.95 118.38 1tl6 s ARG 47 Ca 0.00 -1.90 -0.13 0.00 -1.72 0.00 0.00 55.73 51.98 1tl6 s ARG 47 Cb 0.00 -0.01 0.10 0.00 -0.45 0.00 0.00 34.95 34.59 1tl6 s ARG 47 CO 0.00 -0.47 1.20 0.15 -0.68 0.00 0.00 175.30 175.49 1tl6 s LYS 48 N -3.80 1.66 0.04 3.54 3.01 -1.26 -3.14 119.74 119.80 1tl6 s LYS 48 Ca 0.36 0.05 -0.29 0.00 -1.01 0.00 0.00 55.97 55.08 1tl6 s LYS 48 Cb 0.05 -1.92 -0.04 0.00 -1.01 0.00 0.00 37.83 34.90 1tl6 s LYS 48 CO 0.18 -1.79 0.92 -1.17 0.51 0.00 0.00 175.35 174.00 1tl6 s LEU 49 N -5.68 4.42 -0.09 3.17 2.96 -1.26 -4.89 118.68 117.32 1tl6 s LEU 49 Ca 0.64 1.64 -0.01 0.00 -0.22 0.00 0.00 54.13 56.18 1tl6 s LEU 49 Cb -0.10 -3.49 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 1tl6 s LEU 49 CO 0.50 -0.14 -0.02 0.21 -1.32 0.00 0.00 176.35 175.58 1tl6 s ASN 50 N 0.47 5.04 0.47 3.68 3.84 -1.26 -5.00 114.94 122.18 1tl6 s ASN 50 Ca 0.47 0.08 0.31 0.00 0.21 0.00 0.00 52.86 53.93 1tl6 s ASN 50 Cb -0.22 -1.42 1.24 0.00 -0.55 0.00 0.00 41.25 40.31 1tl6 s ASN 50 CO 0.27 0.36 1.91 0.06 -2.79 0.00 0.00 177.10 176.90 1tl6 h GLN 51 N 5.32 0.00 0.00 0.43 3.07 -2.00 -2.90 115.11 119.03 1tl6 h GLN 51 Ca -0.49 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.22 1tl6 h GLN 51 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.74 1tl6 h GLN 51 CO 0.55 0.00 -0.16 -0.97 0.09 0.00 0.00 178.83 178.34 1tl6 h ASN 52 N 0.00 0.00 0.00 0.06 -0.73 -2.03 -3.19 115.58 109.68 1tl6 h ASN 52 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1tl6 h ASN 52 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.09 1tl6 h ASN 52 CO 0.00 0.16 0.00 -1.20 -0.37 0.00 0.00 177.43 176.02 1tl6 n SER 53 N -4.11 0.00 0.09 1.15 7.64 -1.09 -3.63 113.62 113.67 1tl6 n SER 53 Ca -0.02 -1.64 0.18 0.00 1.01 0.00 0.00 58.87 58.39 1tl6 n SER 53 Cb 0.23 0.00 0.72 0.00 -1.01 0.00 0.00 64.21 64.15 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 -0.61 1.43 3.57 -1.80 0.13 116.94 119.66 1tl6 h PHE 54 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1tl6 h PHE 54 Cb 0.00 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1tl6 h PHE 54 CO 0.00 0.00 0.38 0.07 -2.23 0.00 0.00 178.31 176.53 1tl6 h ARG 55 N 0.00 0.82 0.00 1.11 -0.00 -1.88 -1.83 114.38 112.60 1tl6 h ARG 55 Ca 0.18 -0.07 0.00 0.00 -0.00 0.00 0.00 59.98 60.09 1tl6 h ARG 55 Cb 0.77 -0.18 0.00 0.00 -0.00 0.00 0.00 29.97 30.56 1tl6 h ARG 55 CO -0.00 0.58 0.00 1.17 -0.00 0.00 0.00 179.97 181.72 1tl6 n LYS 56 N -4.62 0.16 -0.00 0.08 3.00 -0.09 -3.01 118.16 113.67 1tl6 n LYS 56 Ca 0.04 0.41 -0.00 0.00 -0.00 0.00 0.00 58.31 58.76 1tl6 n LYS 56 Cb 0.05 -1.81 -0.00 0.00 0.00 0.00 0.00 35.03 33.26 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 0.00 0.00 3.15 1.08 -0.54 -3.41 117.51 117.79 1tl6 h ILE 57 Ca 0.00 -0.05 -0.14 0.00 -0.39 0.00 0.00 64.86 64.28 1tl6 h ILE 57 Cb 0.31 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.04 1tl6 h ILE 57 CO 0.00 0.00 -0.67 -0.37 -0.69 0.00 0.00 178.15 176.42 1tl6 h VAL 58 N -0.05 1.26 -0.15 1.67 -1.51 -1.42 -3.23 116.25 112.82 1tl6 h VAL 58 Ca 0.00 -2.51 -0.19 0.00 -1.23 0.00 0.00 66.70 62.76 1tl6 h VAL 58 Cb 0.01 2.45 0.00 0.00 -2.13 0.00 0.00 31.29 31.61 1tl6 h VAL 58 CO 0.00 0.66 -0.69 0.28 -1.23 0.00 0.00 177.57 176.59 1tl6 h SER 59 N 0.00 0.73 0.37 4.19 0.02 -1.78 -3.08 113.55 114.00 1tl6 h SER 59 Ca -0.01 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1tl6 h SER 59 Cb 1.39 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1tl6 h SER 59 CO 0.09 1.21 0.00 -0.62 -1.14 0.00 0.00 176.83 176.37 1tl6 n GLU 60 N -3.92 0.51 -2.75 3.45 4.71 -1.22 -4.80 120.64 116.62 1tl6 n GLU 60 Ca -0.05 0.02 -0.29 0.00 -0.01 0.00 0.00 57.16 56.84 1tl6 n GLU 60 Cb 0.69 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.61 1tl6 n GLU 60 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1tl6 s LEU 61 N -2.42 3.73 0.00 -4.62 1.43 -1.16 -4.88 118.68 110.75 1tl6 s LEU 61 Ca 0.30 1.01 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 1tl6 s LEU 61 Cb 0.18 -3.93 0.02 0.00 0.03 0.00 0.00 46.19 42.50 1tl6 s LEU 61 CO 0.39 -0.49 0.16 0.35 0.23 0.00 0.00 176.35 176.99 1tl6 n THR 62 N -1.80 0.00 0.01 5.49 -2.24 -1.26 -5.01 114.28 109.47 1tl6 n THR 62 Ca 0.01 -1.67 -0.09 0.00 -2.27 0.00 0.00 64.05 60.03 1tl6 n THR 62 Cb 0.55 0.08 0.06 0.00 -2.10 0.00 0.00 70.33 68.91 1tl6 n THR 62 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1tl6 h GLN 63 N 0.00 0.54 -0.59 -0.78 5.75 -1.99 -2.58 115.11 115.45 1tl6 h GLN 63 Ca -0.28 -0.34 0.12 0.00 -0.15 0.00 0.00 58.65 57.99 1tl6 h GLN 63 Cb 0.93 0.04 -0.09 0.00 1.07 0.00 0.00 27.48 29.43 1tl6 h GLN 63 CO 0.45 0.95 0.05 1.49 -2.65 0.00 0.00 178.83 179.13 1tl6 h GLU 64 N 0.41 0.17 -0.19 1.69 4.57 -2.00 -2.05 114.58 117.17 1tl6 h GLU 64 Ca 0.00 -0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 57.98 1tl6 h GLU 64 Cb 1.11 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1tl6 h GLU 64 CO 0.10 0.11 -0.65 -0.44 -1.18 0.00 0.00 179.01 176.95 1tl6 h ASP 65 N 0.17 0.81 -0.31 1.04 3.32 -1.95 -2.79 116.42 116.70 1tl6 h ASP 65 Ca 0.31 -0.48 0.07 0.00 0.02 0.00 0.00 57.03 56.95 1tl6 h ASP 65 Cb 0.49 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 39.74 1tl6 h ASP 65 CO -0.46 1.25 -0.12 0.11 -1.72 0.00 0.00 179.24 178.30 1tl6 h LYS 66 N 0.52 -0.06 0.52 3.56 1.57 -0.97 -0.97 116.57 120.75 1tl6 h LYS 66 Ca -0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1tl6 h LYS 66 Cb 1.24 0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.57 1tl6 h LYS 66 CO 0.13 -0.04 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.50 1tl6 h LYS 67 N -0.06 -0.67 -0.95 3.15 1.63 -1.38 -2.87 116.57 115.42 1tl6 h LYS 67 Ca 0.16 0.05 0.16 0.00 -0.85 0.00 0.00 60.65 60.16 1tl6 h LYS 67 Cb 0.30 0.15 -0.16 0.00 -0.60 0.00 0.00 32.23 31.92 1tl6 h LYS 67 CO -0.35 -0.39 -0.34 2.41 -3.45 0.00 0.00 179.45 177.32 1tl6 n THR 68 N -5.34 -0.48 -0.18 1.00 -1.04 -1.06 0.15 114.28 107.35 1tl6 n THR 68 Ca -0.12 2.21 -0.04 0.00 -2.04 0.00 0.00 64.05 64.07 1tl6 n THR 68 Cb 0.31 -2.95 0.06 0.00 -1.82 0.00 0.00 70.33 65.93 1tl6 n THR 68 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1tl6 h LEU 69 N 0.00 0.39 0.53 -4.42 6.46 -0.94 0.86 115.31 118.19 1tl6 h LEU 69 Ca 0.36 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 58.12 1tl6 h LEU 69 Cb 0.59 -0.04 0.01 0.00 -0.73 0.00 0.00 40.66 40.49 1tl6 h LEU 69 CO -0.95 0.27 -0.25 0.40 -0.62 0.00 0.00 178.44 177.28 1tl6 h ILE 70 N 0.52 0.19 -0.68 4.05 2.04 -1.42 -3.03 117.51 119.17 1tl6 h ILE 70 Ca 0.23 -0.47 0.06 0.00 1.00 0.00 0.00 64.86 65.69 1tl6 h ILE 70 Cb 0.14 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.44 1tl6 h ILE 70 CO -0.16 0.03 0.38 -0.78 0.00 0.00 0.00 178.15 177.63 1tl6 h ASP 71 N -1.11 0.57 -0.12 1.72 3.58 0.06 -0.76 116.42 120.37 1tl6 h ASP 71 Ca -0.07 0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.32 1tl6 h ASP 71 Cb 0.60 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1tl6 h ASP 71 CO 0.12 0.37 -0.25 -0.33 -2.88 0.00 0.00 179.24 176.27 1tl6 h GLU 72 N 0.71 0.38 -2.23 0.28 5.08 -0.98 -3.37 114.58 114.45 1tl6 h GLU 72 Ca 0.31 -0.25 -0.59 0.00 -1.00 0.00 0.00 59.36 57.83 1tl6 h GLU 72 Cb 0.19 0.03 -0.42 0.00 0.50 0.00 0.00 28.75 29.06 1tl6 h GLU 72 CO -0.18 0.85 -0.67 1.19 -1.00 0.00 0.00 179.01 179.19 1tl6 n PHE 73 N -4.46 3.56 0.18 4.33 3.72 -1.15 -4.86 117.46 118.79 1tl6 n PHE 73 Ca -0.07 -4.02 0.02 0.00 -0.05 0.00 0.00 57.45 53.33 1tl6 n PHE 73 Cb 0.44 -0.50 0.32 0.00 -0.94 0.00 0.00 39.48 38.81 1tl6 n PHE 73 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1tl6 h ASN 74 N 3.38 0.00 -0.61 4.37 -1.24 -1.30 -1.40 115.58 118.78 1tl6 h ASN 74 Ca 0.15 0.00 0.08 0.00 0.71 0.00 0.00 56.30 57.24 1tl6 h ASN 74 Cb 0.59 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.58 1tl6 h ASN 74 CO 0.79 0.43 0.27 -0.33 -1.29 0.00 0.00 177.43 177.30 1tl6 h GLU 75 N 0.00 0.47 -0.00 6.67 5.08 -1.89 -0.12 114.58 124.78 1tl6 h GLU 75 Ca -0.00 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 1tl6 h GLU 75 Cb 0.79 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1tl6 h GLU 75 CO 0.06 0.31 -0.80 0.78 -1.00 0.00 0.00 179.01 178.36 1tl6 h GLY 76 N 0.48 0.10 0.70 -3.84 0.00 -1.76 -1.00 103.07 97.76 1tl6 h GLY 76 Ca 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1tl6 h GLY 76 CO -0.26 0.15 -0.20 -2.75 0.00 0.00 0.00 176.54 173.49 1tl6 h PHE 77 N 0.06 -0.52 -0.83 5.60 3.57 -0.97 -2.16 116.94 121.68 1tl6 h PHE 77 Ca -0.02 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.51 1tl6 h PHE 77 Cb 1.39 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 40.25 1tl6 h PHE 77 CO 0.01 -0.20 0.52 0.93 -2.23 0.00 0.00 178.31 177.35 1tl6 h GLU 78 N -0.87 0.96 -0.34 1.11 4.39 -1.09 0.92 114.58 119.66 1tl6 h GLU 78 Ca -0.06 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.64 1tl6 h GLU 78 Cb 0.55 -0.22 -0.08 0.00 -0.10 0.00 0.00 28.75 28.91 1tl6 h GLU 78 CO 0.09 0.63 -0.46 0.78 -1.16 0.00 0.00 179.01 178.89 1tl6 h GLY 79 N 0.99 -0.71 1.97 -3.84 0.00 -1.19 0.17 103.07 100.44 1tl6 h GLY 79 Ca 0.35 0.59 -0.18 0.00 0.00 0.00 0.00 47.33 48.09 1tl6 h GLY 79 CO -0.15 -0.18 -0.84 -0.24 0.00 0.00 0.00 176.54 175.13 1tl6 h VAL 80 N -0.39 1.58 -0.71 4.60 3.04 -1.09 -2.83 116.25 120.46 1tl6 h VAL 80 Ca 0.11 -2.83 -0.03 0.00 -1.01 0.00 0.00 66.70 62.94 1tl6 h VAL 80 Cb 0.60 2.54 -0.03 0.00 -2.01 0.00 0.00 31.29 32.39 1tl6 h VAL 80 CO -0.54 0.81 0.33 0.22 -1.01 0.00 0.00 177.57 177.38 1tl6 h TYR 81 N 0.02 1.01 -0.46 3.17 3.20 -0.64 0.23 116.97 123.48 1tl6 h TYR 81 Ca -0.01 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.72 1tl6 h TYR 81 Cb 1.48 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 39.42 1tl6 h TYR 81 CO 0.00 0.74 -0.07 -0.09 -1.64 0.00 0.00 178.16 177.11 1tl6 h ARG 82 N 1.00 0.87 -0.29 1.82 2.43 -0.96 -2.86 114.38 116.39 1tl6 h ARG 82 Ca 0.24 -0.31 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1tl6 h ARG 82 Cb 0.12 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1tl6 h ARG 82 CO -0.03 0.94 0.18 -0.92 -1.51 0.00 0.00 179.97 178.64 1tl6 h TYR 83 N 0.71 0.35 -0.18 2.20 5.03 -1.19 -2.91 116.97 120.97 1tl6 h TYR 83 Ca 0.12 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.49 1tl6 h TYR 83 Cb 0.60 -0.12 -0.06 0.00 1.55 0.00 0.00 36.73 38.70 1tl6 h TYR 83 CO 0.05 0.22 -0.22 1.25 -1.32 0.00 0.00 178.16 178.14 1tl6 h LEU 84 N 0.38 -0.68 -0.82 2.82 5.85 -0.47 0.18 115.31 122.57 1tl6 h LEU 84 Ca 0.11 0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.82 1tl6 h LEU 84 Cb -0.03 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1tl6 h LEU 84 CO -0.03 -0.26 -0.57 -0.33 -0.34 0.00 0.00 178.44 176.91 1tl6 h GLU 85 N -0.25 0.08 0.10 1.25 5.08 -1.55 -3.08 114.58 116.21 1tl6 h GLU 85 Ca 0.11 -0.05 -0.32 0.00 -1.00 0.00 0.00 59.36 58.10 1tl6 h GLU 85 Cb 0.42 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1tl6 h GLU 85 CO -0.32 0.62 -1.72 1.98 -1.00 0.00 0.00 179.01 178.57 1tl6 h MET 86 N 0.06 0.22 0.00 2.33 4.05 -1.27 -3.43 114.93 116.88 1tl6 h MET 86 Ca -0.00 -0.37 0.00 0.00 -0.28 0.00 0.00 59.70 59.04 1tl6 h MET 86 Cb 1.02 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.96 1tl6 h MET 86 CO 0.08 1.18 0.00 0.66 0.23 0.00 0.00 176.91 179.06 1tl6 n TYR 87 N -3.77 0.00 -3.64 1.39 4.02 0.61 -5.08 117.16 110.69 1tl6 n TYR 87 Ca -0.30 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.50 1tl6 n TYR 87 Cb 0.95 -0.19 -0.07 0.00 -0.02 0.00 0.00 39.34 40.01 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 -0.59 0.00 -0.24 -0.72 -1.32 -1.16 -5.05 115.64 106.56 1tl6 s THR 88 Ca 0.00 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.30 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 0.51 0.21 -2.21 0.00 0.00 174.62 173.13 1tl6 s ASN 89 N 0.29 6.47 0.00 8.08 3.84 -1.25 -4.63 114.94 127.73 1tl6 s ASN 89 Ca 0.03 0.56 0.22 0.00 0.21 0.00 0.00 52.86 53.88 1tl6 s ASN 89 Cb -0.05 -2.28 1.33 0.00 -0.55 0.00 0.00 41.25 39.70 1tl6 s ASN 89 CO -0.07 -0.25 1.70 1.17 -2.79 0.00 0.00 177.10 176.87