#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 3.49 0.36 -3.83 2.47 -1.26 -5.00 119.74 115.97 1tl6 s LYS 3 Ca 0.00 -0.27 0.26 0.00 -1.56 0.00 0.00 55.97 54.40 1tl6 s LYS 3 Cb 0.00 -3.05 0.69 0.00 -1.46 0.00 0.00 37.83 34.01 1tl6 s LYS 3 CO 0.00 0.63 1.73 -0.91 0.16 0.00 0.00 175.35 176.95 1tl6 h ASN 4 N 3.56 0.00 0.21 1.43 2.35 -2.00 -2.83 115.58 118.30 1tl6 h ASN 4 Ca -0.48 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1tl6 h ASN 4 Cb 1.18 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.53 1tl6 h ASN 4 CO 0.70 0.00 -0.34 0.40 -1.65 0.00 0.00 177.43 176.55 1tl6 h ILE 5 N 0.00 0.00 -0.67 2.81 2.04 -1.94 0.83 117.51 120.58 1tl6 h ILE 5 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1tl6 h ILE 5 Cb 0.79 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.79 1tl6 h ILE 5 CO 0.00 0.00 -0.39 0.47 0.00 0.00 0.00 178.15 178.23 1tl6 n ASP 6 N -4.40 -0.71 0.00 1.72 8.00 -1.20 -1.26 116.55 118.70 1tl6 n ASP 6 Ca -0.07 1.49 -0.11 0.00 0.71 0.00 0.00 54.79 56.82 1tl6 n ASP 6 Cb 0.29 -0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 41.04 1tl6 n ASP 6 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1tl6 h THR 7 N 0.00 0.27 -0.03 -3.53 2.02 -1.48 -2.01 112.91 108.14 1tl6 h THR 7 Ca 0.11 0.00 -0.25 0.00 0.77 0.00 0.00 66.41 67.04 1tl6 h THR 7 Cb 0.27 0.27 0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1tl6 h THR 7 CO -0.63 0.00 -0.94 0.58 0.37 0.00 0.00 175.52 174.90 1tl6 h VAL 8 N -0.41 1.29 -0.85 3.16 2.07 -0.68 -3.04 116.25 117.79 1tl6 h VAL 8 Ca 0.09 -2.16 -0.00 0.00 0.82 0.00 0.00 66.70 65.45 1tl6 h VAL 8 Cb 0.56 2.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.60 1tl6 h VAL 8 CO -0.36 0.67 0.52 0.08 0.02 0.00 0.00 177.57 178.50 1tl6 h ARG 9 N 0.37 1.15 -0.89 1.57 0.11 -1.16 -0.59 114.38 114.95 1tl6 h ARG 9 Ca -0.11 -0.10 0.21 0.00 0.10 0.00 0.00 59.98 60.08 1tl6 h ARG 9 Cb 1.59 -0.24 -0.12 0.00 1.11 0.00 0.00 29.97 32.31 1tl6 h ARG 9 CO 0.19 0.80 0.40 1.49 0.10 0.00 0.00 179.97 182.95 1tl6 h GLU 10 N 1.16 0.42 0.26 0.08 4.57 -1.36 0.14 114.58 119.86 1tl6 h GLU 10 Ca 0.31 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.45 1tl6 h GLU 10 Cb -0.06 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 1tl6 h GLU 10 CO -0.06 0.28 -0.13 0.82 -1.18 0.00 0.00 179.01 178.74 1tl6 h ILE 11 N 0.43 0.78 0.40 2.32 2.04 -1.18 -3.07 117.51 119.23 1tl6 h ILE 11 Ca 0.55 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1tl6 h ILE 11 Cb 1.01 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 1tl6 h ILE 11 CO -0.51 0.12 -0.44 0.40 0.00 0.00 0.00 178.15 177.72 1tl6 h ILE 12 N -0.66 0.12 -0.01 -0.67 2.04 -0.89 -2.17 117.51 115.28 1tl6 h ILE 12 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1tl6 h ILE 12 Cb 0.46 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1tl6 h ILE 12 CO 0.06 0.00 -0.02 0.74 0.00 0.00 0.00 178.15 178.93 1tl6 h THR 13 N -0.87 0.00 -0.39 -0.27 2.02 -0.84 -1.08 112.91 111.48 1tl6 h THR 13 Ca -0.04 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.26 1tl6 h THR 13 Cb 0.78 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1tl6 h THR 13 CO -0.09 0.00 0.35 0.58 0.37 0.00 0.00 175.52 176.73 1tl6 h VAL 14 N -0.02 0.54 0.09 3.16 2.07 -1.60 0.34 116.25 120.83 1tl6 h VAL 14 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1tl6 h VAL 14 Cb 0.03 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1tl6 h VAL 14 CO -0.02 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.53 1tl6 h ALA 15 N 1.66 -0.12 -0.54 1.67 0.00 -1.12 -2.81 119.26 118.00 1tl6 h ALA 15 Ca 0.19 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1tl6 h ALA 15 Cb 0.89 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1tl6 h ALA 15 CO -0.00 -0.33 0.33 1.03 0.00 0.00 0.00 179.25 180.27 1tl6 h SER 16 N -0.60 0.53 -0.77 0.00 0.87 -0.07 -0.62 113.55 112.89 1tl6 h SER 16 Ca -0.01 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1tl6 h SER 16 Cb 0.49 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.30 1tl6 h SER 16 CO 0.02 0.37 0.51 0.40 -0.53 0.00 0.00 176.83 177.60 1tl6 h ILE 17 N 0.65 1.17 0.18 2.23 5.03 -1.06 -1.45 117.51 124.26 1tl6 h ILE 17 Ca 0.22 -0.35 -0.01 0.00 -0.12 0.00 0.00 64.86 64.60 1tl6 h ILE 17 Cb 0.02 0.07 0.00 0.00 -3.03 0.00 0.00 36.82 33.88 1tl6 h ILE 17 CO -0.09 0.18 -0.09 0.25 -0.68 0.00 0.00 178.15 177.72 1tl6 h LEU 18 N 1.01 -0.21 -1.91 1.44 7.12 -1.20 -3.38 115.31 118.19 1tl6 h LEU 18 Ca 0.29 -0.17 -0.01 0.00 0.13 0.00 0.00 57.88 58.12 1tl6 h LEU 18 Cb -0.06 0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1tl6 h LEU 18 CO -0.07 0.33 -0.03 0.16 -0.13 0.00 0.00 178.44 178.69 1tl6 h ILE 19 N -1.01 0.11 -0.03 4.05 3.07 -1.04 -3.12 117.51 119.55 1tl6 h ILE 19 Ca -0.02 -0.42 0.01 0.00 1.55 0.00 0.00 64.86 65.97 1tl6 h ILE 19 Cb 0.36 1.37 -0.01 0.00 -0.27 0.00 0.00 36.82 38.27 1tl6 h ILE 19 CO 0.04 0.03 -0.12 0.50 -1.05 0.00 0.00 178.15 177.55 1tl6 h LYS 20 N 0.00 -0.13 -0.17 0.16 1.63 -1.43 -3.36 116.57 113.28 1tl6 h LYS 20 Ca -0.00 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 1tl6 h LYS 20 Cb 0.37 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 1tl6 h LYS 20 CO 0.00 -0.09 -0.06 0.34 -3.45 0.00 0.00 179.45 176.20 1tl6 n PHE 21 N -3.21 0.58 0.00 1.91 7.35 -1.22 -4.77 117.46 118.09 1tl6 n PHE 21 Ca -0.01 -1.11 0.00 0.00 -0.76 0.00 0.00 57.45 55.57 1tl6 n PHE 21 Cb 0.09 -0.29 0.00 0.00 0.35 0.00 0.00 39.48 39.63 1tl6 n PHE 21 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1tl6 n SER 22 N -0.99 0.00 0.00 -2.13 3.41 -1.18 -5.14 113.62 107.59 1tl6 n SER 22 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1tl6 n SER 22 Cb 0.82 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 1tl6 n SER 22 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1tl6 n ARG 23 N -1.05 0.00 -0.08 4.33 3.00 -1.26 -5.07 116.66 116.53 1tl6 n ARG 23 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.96 1tl6 n ARG 23 Cb 0.00 0.00 0.37 0.00 0.00 0.00 0.00 32.46 32.83 1tl6 n ARG 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1tl6 n GLU 24 N -0.05 1.85 -0.25 -0.14 4.71 -1.26 -4.54 120.64 120.96 1tl6 n GLU 24 Ca 0.00 -1.27 -0.05 0.00 -0.01 0.00 0.00 57.16 55.83 1tl6 n GLU 24 Cb 0.00 -1.43 0.05 0.00 -1.01 0.00 0.00 31.44 29.05 1tl6 n GLU 24 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1tl6 h ASP 25 N 2.66 0.82 0.19 1.62 1.82 -1.97 -0.50 116.42 121.05 1tl6 h ASP 25 Ca 0.00 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1tl6 h ASP 25 Cb 0.58 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.36 1tl6 h ASP 25 CO 0.00 0.63 -0.37 0.16 -1.61 0.00 0.00 179.24 178.05 1tl6 h ILE 26 N 0.93 0.00 -0.14 2.25 -2.65 -1.85 -2.77 117.51 113.27 1tl6 h ILE 26 Ca 0.25 0.00 -0.04 0.00 1.03 0.00 0.00 64.86 66.10 1tl6 h ILE 26 Cb -0.04 0.00 -0.01 0.00 -2.05 0.00 0.00 36.82 34.72 1tl6 h ILE 26 CO -0.05 0.00 -0.08 1.62 0.03 0.00 0.00 178.15 179.67 1tl6 h VAL 27 N -0.61 1.15 0.23 0.16 3.04 -1.63 -2.99 116.25 115.60 1tl6 h VAL 27 Ca -0.02 -0.62 0.01 0.00 -1.01 0.00 0.00 66.70 65.06 1tl6 h VAL 27 Cb 0.57 1.13 -0.04 0.00 -2.01 0.00 0.00 31.29 30.94 1tl6 h VAL 27 CO -0.14 0.20 -0.48 -0.33 -1.01 0.00 0.00 177.57 175.81 1tl6 h GLU 28 N 0.21 -0.76 -3.67 4.17 5.08 -1.07 -3.16 114.58 115.39 1tl6 h GLU 28 Ca 0.05 0.05 -0.79 0.00 -1.00 0.00 0.00 59.36 57.66 1tl6 h GLU 28 Cb 0.28 0.17 -0.27 0.00 0.50 0.00 0.00 28.75 29.43 1tl6 h GLU 28 CO 0.01 -0.50 0.30 1.21 -1.00 0.00 0.00 179.01 179.03 1tl6 s ASN 29 N -4.60 7.08 0.15 1.42 3.84 -1.05 -4.93 114.94 116.85 1tl6 s ASN 29 Ca -0.17 -3.23 0.12 0.00 0.21 0.00 0.00 52.86 49.79 1tl6 s ASN 29 Cb 0.06 -2.21 0.51 0.00 -0.55 0.00 0.00 41.25 39.07 1tl6 s ASN 29 CO 0.62 -0.40 0.53 0.54 -2.79 0.00 0.00 177.10 175.59 1tl6 n ARG 30 N 3.21 -0.01 0.23 0.43 1.74 -1.20 -0.41 116.66 120.65 1tl6 n ARG 30 Ca 0.20 0.41 0.12 0.00 -0.77 0.00 0.00 57.85 57.82 1tl6 n ARG 30 Cb 0.42 -0.83 0.43 0.00 -1.02 0.00 0.00 32.46 31.46 1tl6 n ARG 30 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tl6 h ALA 31 N 0.51 0.98 -0.00 7.54 0.00 -1.92 -0.64 119.26 125.73 1tl6 h ALA 31 Ca 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1tl6 h ALA 31 Cb 0.99 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1tl6 h ALA 31 CO -0.14 0.15 -0.19 0.09 0.00 0.00 0.00 179.25 179.16 1tl6 n ASN 32 N -3.20 0.59 -0.06 0.00 4.13 0.45 -1.85 115.26 115.32 1tl6 n ASN 32 Ca 0.01 -0.55 -0.03 0.00 1.68 0.00 0.00 54.58 55.69 1tl6 n ASN 32 Cb 0.44 -0.01 -0.01 0.00 -1.54 0.00 0.00 39.78 38.66 1tl6 n ASN 32 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1tl6 h PHE 33 N 0.64 0.00 -0.53 3.10 3.57 -1.01 -3.09 116.94 119.62 1tl6 h PHE 33 Ca 0.00 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 1tl6 h PHE 33 Cb 0.43 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.07 1tl6 h PHE 33 CO 0.00 0.00 -0.07 -0.89 -2.23 0.00 0.00 178.31 175.12 1tl6 n ILE 34 N -4.43 -0.22 0.36 1.41 5.41 -0.83 -0.64 119.36 120.42 1tl6 n ILE 34 Ca -0.05 1.19 0.12 0.00 1.00 0.00 0.00 62.75 65.01 1tl6 n ILE 34 Cb 0.19 -1.69 0.20 0.00 -0.71 0.00 0.00 39.64 37.63 1tl6 n ILE 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1tl6 h ALA 35 N 1.06 0.86 -0.28 -1.39 0.00 -1.52 -1.93 119.26 116.06 1tl6 h ALA 35 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 1tl6 h ALA 35 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1tl6 h ALA 35 CO -0.52 0.00 -0.27 0.35 0.00 0.00 0.00 179.25 178.80 1tl6 h PHE 36 N 0.00 0.63 0.00 0.00 3.57 -0.78 -2.86 116.94 117.50 1tl6 h PHE 36 Ca 0.00 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 1tl6 h PHE 36 Cb 0.90 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 1tl6 h PHE 36 CO 0.00 0.77 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.76 1tl6 h LEU 37 N 0.48 0.00 -0.75 0.59 3.38 -0.89 -1.70 115.31 116.42 1tl6 h LEU 37 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1tl6 h LEU 37 Cb 0.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1tl6 h LEU 37 CO 0.06 0.02 -0.13 0.78 0.09 0.00 0.00 178.44 179.26 1tl6 h ASN 38 N 0.00 0.00 0.28 -0.43 -0.26 -1.20 -2.90 115.58 111.06 1tl6 h ASN 38 Ca -0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1tl6 h ASN 38 Cb 0.04 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 1tl6 h ASN 38 CO 0.00 0.13 -0.18 -0.08 -1.06 0.00 0.00 177.43 176.24 1tl6 h GLU 39 N 0.00 -0.44 -0.72 0.81 4.22 -1.08 -3.22 114.58 114.16 1tl6 h GLU 39 Ca -0.00 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1tl6 h GLU 39 Cb 0.83 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 1tl6 h GLU 39 CO 0.02 -0.29 0.47 0.82 -2.18 0.00 0.00 179.01 177.84 1tl6 h ILE 40 N -0.45 1.19 0.00 2.32 2.04 -1.58 -3.47 117.51 117.56 1tl6 h ILE 40 Ca -0.03 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1tl6 h ILE 40 Cb 0.38 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1tl6 h ILE 40 CO 0.02 0.19 0.00 0.61 0.00 0.00 0.00 178.15 178.97 1tl6 n GLY 41 N -1.27 1.06 3.77 5.37 0.00 -1.18 -5.12 105.19 107.82 1tl6 n GLY 41 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 3.04 0.08 1.61 1.01 -1.10 -5.06 120.40 117.98 1tl6 s VAL 42 Ca 0.00 0.83 0.01 0.00 0.00 0.00 0.00 61.98 62.82 1tl6 s VAL 42 Cb 0.00 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 1tl6 s VAL 42 CO 0.00 0.04 0.08 0.35 0.00 0.00 0.00 175.10 175.57 1tl6 n THR 43 N -0.22 0.00 0.00 3.92 -2.24 -1.26 -4.65 114.28 109.83 1tl6 n THR 43 Ca 0.06 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1tl6 n THR 43 Cb 0.47 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 1tl6 n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tl6 n HIS 44 N -0.15 0.00 -1.69 4.78 1.44 -0.30 -4.93 115.22 114.37 1tl6 n HIS 44 Ca 0.01 0.00 -0.51 0.00 -2.01 0.00 0.00 57.72 55.21 1tl6 n HIS 44 Cb 0.15 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.20 1tl6 n HIS 44 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1tl6 n GLU 45 N 0.00 1.82 0.00 -1.40 2.13 -1.26 -4.46 120.64 117.47 1tl6 n GLU 45 Ca 0.00 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.49 1tl6 n GLU 45 Cb 0.00 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.26 1tl6 n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tl6 n GLY 46 N 4.26 0.00 3.24 8.31 0.00 -1.26 -4.76 105.19 114.98 1tl6 n GLY 46 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 1.37 1.11 1.61 0.52 -1.26 -5.16 118.95 117.14 1tl6 s ARG 47 Ca 0.00 -1.75 -0.14 0.00 -0.52 0.00 0.00 55.73 53.32 1tl6 s ARG 47 Cb 0.00 0.22 0.20 0.00 0.52 0.00 0.00 34.95 35.89 1tl6 s ARG 47 CO 0.00 -0.45 0.72 1.63 0.02 0.00 0.00 175.30 177.23 1tl6 n LYS 48 N -0.39 -1.79 -2.49 3.54 4.01 -1.26 -1.15 118.16 118.63 1tl6 n LYS 48 Ca 0.03 -0.49 -0.43 0.00 -0.51 0.00 0.00 58.31 56.91 1tl6 n LYS 48 Cb 0.65 -2.05 -0.02 0.00 -0.51 0.00 0.00 35.03 33.10 1tl6 n LYS 48 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1tl6 s LEU 49 N -5.09 4.18 0.11 -0.35 2.96 -1.26 -4.68 118.68 114.54 1tl6 s LEU 49 Ca 0.64 1.64 -0.12 0.00 -0.22 0.00 0.00 54.13 56.07 1tl6 s LEU 49 Cb -0.21 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.87 1tl6 s LEU 49 CO 0.65 -0.70 0.46 0.20 -1.32 0.00 0.00 176.35 175.64 1tl6 s ASN 50 N 1.70 6.72 0.43 3.68 0.01 -1.26 -4.98 114.94 121.24 1tl6 s ASN 50 Ca 0.52 0.91 0.15 0.00 -0.71 0.00 0.00 52.86 53.74 1tl6 s ASN 50 Cb -0.21 -2.22 1.05 0.00 0.41 0.00 0.00 41.25 40.28 1tl6 s ASN 50 CO 0.14 0.14 1.93 0.06 -1.51 0.00 0.00 177.10 177.87 1tl6 h GLN 51 N 3.66 0.40 -0.22 -0.60 -0.00 -1.98 -1.53 115.11 114.84 1tl6 h GLN 51 Ca -0.49 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.11 1tl6 h GLN 51 Cb 1.19 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.48 28.57 1tl6 h GLN 51 CO 0.66 0.26 -0.01 -0.91 -0.00 0.00 0.00 178.83 178.84 1tl6 h ASN 52 N 0.41 0.29 0.38 0.06 4.21 -2.04 -3.37 115.58 115.52 1tl6 h ASN 52 Ca 0.35 -0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.82 1tl6 h ASN 52 Cb 0.79 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.91 1tl6 h ASN 52 CO -0.11 0.35 0.00 -1.54 -1.29 0.00 0.00 177.43 174.85 1tl6 n SER 53 N -4.35 0.00 -0.09 5.81 3.41 -0.58 -2.55 113.62 115.27 1tl6 n SER 53 Ca 0.00 0.09 0.06 0.00 -0.26 0.00 0.00 58.87 58.76 1tl6 n SER 53 Cb 0.20 -0.32 0.11 0.00 -0.26 0.00 0.00 64.21 63.94 1tl6 n SER 53 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1tl6 n PHE 54 N -1.32 0.22 0.01 7.33 1.16 -1.26 -1.28 117.46 122.33 1tl6 n PHE 54 Ca 0.08 0.32 -0.12 0.00 -1.87 0.00 0.00 57.45 55.86 1tl6 n PHE 54 Cb 0.15 -0.73 -0.08 0.00 -1.61 0.00 0.00 39.48 37.21 1tl6 n PHE 54 CO 0.00 0.00 0.00 -0.09 -1.87 0.00 0.00 176.76 174.80 1tl6 h ARG 55 N 0.00 -0.47 0.00 3.97 9.65 -1.85 -2.60 114.38 123.08 1tl6 h ARG 55 Ca 0.18 0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.07 1tl6 h ARG 55 Cb 0.42 0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.11 1tl6 h ARG 55 CO -0.24 -0.31 -0.11 0.87 2.80 0.00 0.00 179.97 182.98 1tl6 h LYS 56 N -0.48 0.00 0.17 0.20 1.79 -1.45 -2.65 116.57 114.15 1tl6 h LYS 56 Ca 0.02 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1tl6 h LYS 56 Cb 0.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1tl6 h LYS 56 CO -0.32 0.11 -0.08 0.82 -1.08 0.00 0.00 179.45 178.89 1tl6 h ILE 57 N 0.00 0.00 -0.55 1.86 1.08 -1.13 -2.29 117.51 116.48 1tl6 h ILE 57 Ca -0.00 -0.50 0.16 0.00 -0.39 0.00 0.00 64.86 64.13 1tl6 h ILE 57 Cb 0.21 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.94 1tl6 h ILE 57 CO 0.01 0.00 0.54 1.62 -0.69 0.00 0.00 178.15 179.63 1tl6 h VAL 58 N -0.73 0.39 -0.23 1.67 3.04 -1.66 0.66 116.25 119.38 1tl6 h VAL 58 Ca -0.02 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.47 1tl6 h VAL 58 Cb 0.18 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 30.04 1tl6 h VAL 58 CO 0.04 0.00 -0.62 -1.28 -1.01 0.00 0.00 177.57 174.70 1tl6 h SER 59 N 0.00 0.90 0.27 3.17 0.87 -1.46 -3.34 113.55 113.96 1tl6 h SER 59 Ca 0.26 -0.51 -0.31 0.00 -1.23 0.00 0.00 61.79 60.00 1tl6 h SER 59 Cb 1.33 -0.26 0.03 0.00 -0.44 0.00 0.00 62.40 63.06 1tl6 h SER 59 CO -0.00 1.30 -1.32 -0.33 -0.53 0.00 0.00 176.83 175.95 1tl6 h GLU 60 N 0.59 0.53 -6.25 2.24 4.39 -0.27 -3.42 114.58 112.39 1tl6 h GLU 60 Ca -0.01 -0.80 -0.56 0.00 0.34 0.00 0.00 59.36 58.34 1tl6 h GLU 60 Cb 1.22 0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 30.12 1tl6 h GLU 60 CO 0.13 1.37 1.01 -0.51 -1.16 0.00 0.00 179.01 179.85 1tl6 s LEU 61 N -7.65 4.06 0.00 1.33 1.43 -0.98 -4.99 118.68 111.88 1tl6 s LEU 61 Ca -0.08 1.65 -0.08 0.00 -1.03 0.00 0.00 54.13 54.59 1tl6 s LEU 61 Cb 0.05 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.87 1tl6 s LEU 61 CO 0.93 -0.99 0.38 0.41 0.23 0.00 0.00 176.35 177.31 1tl6 n THR 62 N 5.85 0.00 0.05 5.49 -1.04 -1.26 -4.70 114.28 118.67 1tl6 n THR 62 Ca 0.16 -0.12 0.02 0.00 -2.04 0.00 0.00 64.05 62.07 1tl6 n THR 62 Cb 0.45 -0.82 0.36 0.00 -1.82 0.00 0.00 70.33 68.50 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 0.42 0.47 -2.82 4.20 -1.98 -2.63 115.11 112.78 1tl6 h GLN 63 Ca -0.15 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 1tl6 h GLN 63 Cb 0.49 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1tl6 h GLN 63 CO 0.10 0.44 -0.44 1.49 -0.67 0.00 0.00 178.83 179.75 1tl6 h GLU 64 N 0.41 -0.89 -0.42 1.46 4.81 -2.00 -2.37 114.58 115.59 1tl6 h GLU 64 Ca 0.09 0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 1tl6 h GLU 64 Cb 0.25 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1tl6 h GLU 64 CO 0.01 -0.59 -0.13 -0.44 -0.73 0.00 0.00 179.01 177.13 1tl6 h ASP 65 N -0.92 0.75 -0.13 1.04 5.19 -1.86 -0.44 116.42 120.04 1tl6 h ASP 65 Ca -0.05 -0.23 0.03 0.00 -0.62 0.00 0.00 57.03 56.16 1tl6 h ASP 65 Cb 0.80 -0.20 -0.05 0.00 0.18 0.00 0.00 39.33 40.06 1tl6 h ASP 65 CO -0.05 0.89 -0.45 0.50 -3.12 0.00 0.00 179.24 177.02 1tl6 h LYS 66 N 0.68 -0.45 -0.24 3.56 3.64 -1.53 -1.08 116.57 121.15 1tl6 h LYS 66 Ca 0.11 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1tl6 h LYS 66 Cb 0.60 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1tl6 h LYS 66 CO 0.04 -0.30 -0.25 -0.22 -2.27 0.00 0.00 179.45 176.45 1tl6 h LYS 67 N -0.47 0.46 -0.16 1.90 1.63 -0.81 -3.10 116.57 116.02 1tl6 h LYS 67 Ca 0.03 -0.17 -0.10 0.00 -0.85 0.00 0.00 60.65 59.56 1tl6 h LYS 67 Cb 0.55 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1tl6 h LYS 67 CO -0.37 0.67 -0.28 1.15 -3.45 0.00 0.00 179.45 177.17 1tl6 h THR 68 N 0.41 1.35 -0.79 1.00 2.02 -0.98 0.21 112.91 116.12 1tl6 h THR 68 Ca 0.06 -1.51 0.09 0.00 0.77 0.00 0.00 66.41 65.82 1tl6 h THR 68 Cb 0.65 1.93 -0.12 0.00 -1.74 0.00 0.00 68.15 68.88 1tl6 h THR 68 CO 0.05 0.45 -0.52 0.25 0.37 0.00 0.00 175.52 176.12 1tl6 h LEU 69 N 0.11 -1.86 -0.79 2.58 5.85 -1.19 -1.63 115.31 118.38 1tl6 h LEU 69 Ca 0.01 0.29 0.03 0.00 0.84 0.00 0.00 57.88 59.06 1tl6 h LEU 69 Cb 0.86 0.83 -0.05 0.00 0.37 0.00 0.00 40.66 42.68 1tl6 h LEU 69 CO 0.06 -0.30 0.50 0.40 -0.34 0.00 0.00 178.44 178.77 1tl6 h ILE 70 N -0.13 1.12 -0.06 4.05 2.04 -1.45 0.28 117.51 123.37 1tl6 h ILE 70 Ca 0.17 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1tl6 h ILE 70 Cb 0.51 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1tl6 h ILE 70 CO -0.83 0.18 0.04 -0.78 0.00 0.00 0.00 178.15 176.76 1tl6 h ASP 71 N 0.98 0.07 0.06 1.72 3.58 -0.01 -2.74 116.42 120.08 1tl6 h ASP 71 Ca 0.31 -0.01 -0.22 0.00 0.42 0.00 0.00 57.03 57.54 1tl6 h ASP 71 Cb 0.01 -0.02 0.02 0.00 1.72 0.00 0.00 39.33 41.06 1tl6 h ASP 71 CO -0.11 0.06 -0.90 -0.08 -2.88 0.00 0.00 179.24 175.33 1tl6 h GLU 72 N 0.08 0.50 -2.04 0.28 4.81 -1.26 -3.43 114.58 113.52 1tl6 h GLU 72 Ca 0.02 -0.62 -0.41 0.00 -0.13 0.00 0.00 59.36 58.22 1tl6 h GLU 72 Cb -0.00 0.20 -0.32 0.00 0.63 0.00 0.00 28.75 29.25 1tl6 h GLU 72 CO -0.00 1.25 -0.73 0.12 -0.73 0.00 0.00 179.01 178.91 1tl6 s PHE 73 N -3.02 -0.08 0.11 0.92 5.36 0.08 -5.00 117.98 116.36 1tl6 s PHE 73 Ca -0.12 -1.08 -0.05 0.00 -0.96 0.00 0.00 56.93 54.72 1tl6 s PHE 73 Cb 0.04 -0.49 -0.15 0.00 -0.34 0.00 0.00 43.02 42.08 1tl6 s PHE 73 CO 0.87 -0.95 1.25 -2.95 -1.46 0.00 0.00 175.22 171.98 1tl6 h ASN 74 N 6.81 0.51 -0.89 6.13 -1.07 -1.64 -3.38 115.58 122.05 1tl6 h ASN 74 Ca 0.07 -0.45 0.18 0.00 0.07 0.00 0.00 56.30 56.18 1tl6 h ASN 74 Cb 1.03 -0.16 -0.07 0.00 -2.07 0.00 0.00 38.32 37.05 1tl6 h ASN 74 CO 0.21 1.27 0.58 -0.33 0.07 0.00 0.00 177.43 179.23 1tl6 h GLU 75 N 0.19 0.48 0.55 4.14 5.08 -1.94 0.82 114.58 123.90 1tl6 h GLU 75 Ca -0.10 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1tl6 h GLU 75 Cb 1.70 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.84 1tl6 h GLU 75 CO 0.18 0.32 -0.26 0.78 -1.00 0.00 0.00 179.01 179.02 1tl6 h GLY 76 N 0.49 -0.77 0.92 -3.84 0.00 -1.96 -2.54 103.07 95.37 1tl6 h GLY 76 Ca 0.46 0.29 -0.01 0.00 0.00 0.00 0.00 47.33 48.07 1tl6 h GLY 76 CO -0.19 -0.28 -0.06 -2.75 0.00 0.00 0.00 176.54 173.26 1tl6 h PHE 77 N -0.86 -0.16 0.00 5.60 3.57 -1.73 -2.63 116.94 120.73 1tl6 h PHE 77 Ca -0.08 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1tl6 h PHE 77 Cb 0.57 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 1tl6 h PHE 77 CO 0.07 -0.03 -0.09 0.93 -2.23 0.00 0.00 178.31 176.95 1tl6 h GLU 78 N -0.25 0.00 -0.17 1.11 5.08 -0.98 0.12 114.58 119.49 1tl6 h GLU 78 Ca -0.02 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 1tl6 h GLU 78 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1tl6 h GLU 78 CO 0.03 0.09 -0.50 0.78 -1.00 0.00 0.00 179.01 178.42 1tl6 h GLY 79 N 3.69 0.70 2.00 -3.84 0.00 -1.52 -3.06 103.07 101.03 1tl6 h GLY 79 Ca -0.00 -0.90 -0.08 0.00 0.00 0.00 0.00 47.33 46.35 1tl6 h GLY 79 CO 0.01 0.80 -0.38 -0.24 0.00 0.00 0.00 176.54 176.73 1tl6 h VAL 80 N 0.31 1.20 -0.74 4.60 3.04 -1.16 -2.58 116.25 120.92 1tl6 h VAL 80 Ca -0.01 -1.35 0.09 0.00 -1.01 0.00 0.00 66.70 64.41 1tl6 h VAL 80 Cb 1.12 1.74 -0.07 0.00 -2.01 0.00 0.00 31.29 32.07 1tl6 h VAL 80 CO 0.11 0.38 0.39 0.22 -1.01 0.00 0.00 177.57 177.65 1tl6 h TYR 81 N 0.00 0.70 -0.70 3.17 5.03 -0.77 0.15 116.97 124.55 1tl6 h TYR 81 Ca -0.00 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.29 1tl6 h TYR 81 Cb 0.71 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.76 1tl6 h TYR 81 CO 0.00 0.27 0.27 -0.09 -1.32 0.00 0.00 178.16 177.29 1tl6 h ARG 82 N 0.66 1.04 -0.40 1.82 9.65 -1.36 0.43 114.38 126.22 1tl6 h ARG 82 Ca 0.36 -0.18 0.01 0.00 -1.10 0.00 0.00 59.98 59.06 1tl6 h ARG 82 Cb 0.35 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 1tl6 h ARG 82 CO -0.25 0.85 0.26 -0.92 2.80 0.00 0.00 179.97 182.71 1tl6 h TYR 83 N 1.02 0.49 -0.36 2.20 5.03 -1.27 -2.58 116.97 121.50 1tl6 h TYR 83 Ca 0.24 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.56 1tl6 h TYR 83 Cb 0.21 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.30 1tl6 h TYR 83 CO 0.02 0.31 0.23 -0.07 -1.32 0.00 0.00 178.16 177.32 1tl6 h LEU 84 N 0.53 0.42 -0.83 2.82 3.38 -0.06 0.35 115.31 121.92 1tl6 h LEU 84 Ca 0.15 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1tl6 h LEU 84 Cb -0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1tl6 h LEU 84 CO -0.04 0.31 0.00 -0.33 0.09 0.00 0.00 178.44 178.48 1tl6 h GLU 85 N 0.49 0.88 0.04 1.13 5.08 -0.56 -3.09 114.58 118.55 1tl6 h GLU 85 Ca 0.13 -0.25 -0.37 0.00 -1.00 0.00 0.00 59.36 57.88 1tl6 h GLU 85 Cb -0.04 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 1tl6 h GLU 85 CO -0.03 0.87 -2.20 -0.12 -1.00 0.00 0.00 179.01 176.54 1tl6 n MET 86 N -4.20 0.69 0.00 2.33 1.56 -0.91 -4.80 117.12 111.79 1tl6 n MET 86 Ca 0.03 0.18 0.00 0.00 -0.27 0.00 0.00 57.70 57.64 1tl6 n MET 86 Cb 0.31 -1.62 0.00 0.00 2.15 0.00 0.00 33.22 34.06 1tl6 n MET 86 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 1tl6 n TYR 87 N -3.24 0.00 -3.65 1.12 4.01 0.12 -5.05 117.16 110.47 1tl6 n TYR 87 Ca -0.36 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.36 1tl6 n TYR 87 Cb 1.04 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 40.01 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 -0.18 -0.85 -0.08 -0.72 -1.32 -1.21 -5.02 115.64 106.25 1tl6 s THR 88 Ca 0.00 0.03 -0.00 0.00 -1.21 0.00 0.00 61.69 60.50 1tl6 s THR 88 Cb 0.00 -0.95 -0.03 0.00 -1.51 0.00 0.00 72.50 70.01 1tl6 s THR 88 CO 0.00 0.01 -0.05 0.54 -2.21 0.00 0.00 174.62 172.91 1tl6 s ASN 89 N 2.73 4.76 0.00 8.08 2.20 -1.17 -4.73 114.94 126.81 1tl6 s ASN 89 Ca -0.06 -0.01 0.00 0.00 -0.94 0.00 0.00 52.86 51.85 1tl6 s ASN 89 Cb -0.11 -1.32 0.00 0.00 -2.00 0.00 0.00 41.25 37.82 1tl6 s ASN 89 CO -0.18 0.33 0.47 0.29 -2.94 0.00 0.00 177.10 175.08