#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 3.85 0.00 3.52 2.47 -1.26 -4.98 119.74 123.35 1tl6 s LYS 3 Ca 0.00 -0.37 0.00 0.00 -1.56 0.00 0.00 55.97 54.04 1tl6 s LYS 3 Cb 0.00 -3.54 0.00 0.00 -1.46 0.00 0.00 37.83 32.83 1tl6 s LYS 3 CO 0.00 -0.18 0.63 0.09 0.16 0.00 0.00 175.35 176.05 1tl6 n ASN 4 N 4.99 0.00 -0.10 1.43 3.02 -1.26 -1.00 115.26 122.34 1tl6 n ASN 4 Ca -0.15 0.17 -0.14 0.00 -0.03 0.00 0.00 54.58 54.43 1tl6 n ASN 4 Cb 0.52 -0.17 -0.06 0.00 -0.61 0.00 0.00 39.78 39.46 1tl6 n ASN 4 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1tl6 n ILE 5 N -1.13 1.48 0.24 2.41 5.41 -1.26 -1.92 119.36 124.60 1tl6 n ILE 5 Ca 0.00 0.03 0.10 0.00 1.00 0.00 0.00 62.75 63.89 1tl6 n ILE 5 Cb 0.28 -2.21 0.62 0.00 -0.71 0.00 0.00 39.64 37.61 1tl6 n ILE 5 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1tl6 h ASP 6 N -1.00 0.00 0.00 4.38 3.58 -1.56 0.34 116.42 122.16 1tl6 h ASP 6 Ca -0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1tl6 h ASP 6 Cb 1.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.06 1tl6 h ASP 6 CO -0.13 0.18 0.00 0.41 -2.88 0.00 0.00 179.24 176.82 1tl6 n THR 7 N -3.69 0.00 -0.26 2.25 -1.04 -0.17 -3.27 114.28 108.09 1tl6 n THR 7 Ca -0.02 1.20 0.15 0.00 -2.04 0.00 0.00 64.05 63.34 1tl6 n THR 7 Cb 0.30 -2.17 0.44 0.00 -1.82 0.00 0.00 70.33 67.08 1tl6 n THR 7 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1tl6 h VAL 8 N 0.00 0.75 -0.07 12.58 2.07 -0.99 -2.13 116.25 128.46 1tl6 h VAL 8 Ca 0.00 -0.19 -0.22 0.00 0.82 0.00 0.00 66.70 67.11 1tl6 h VAL 8 Cb 0.00 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1tl6 h VAL 8 CO 0.00 0.10 -0.85 0.08 0.02 0.00 0.00 177.57 176.92 1tl6 h ARG 9 N 0.56 0.59 -0.07 1.57 0.11 -0.52 -2.25 114.38 114.36 1tl6 h ARG 9 Ca 0.46 -0.54 0.01 0.00 0.10 0.00 0.00 59.98 60.01 1tl6 h ARG 9 Cb 0.93 0.13 -0.01 0.00 1.11 0.00 0.00 29.97 32.13 1tl6 h ARG 9 CO -0.21 1.16 -0.05 1.49 0.10 0.00 0.00 179.97 182.46 1tl6 h GLU 10 N 0.38 -0.01 0.00 0.08 4.57 -1.46 -2.99 114.58 115.15 1tl6 h GLU 10 Ca -0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1tl6 h GLU 10 Cb 1.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.06 1tl6 h GLU 10 CO 0.16 -0.01 0.00 -0.89 -1.18 0.00 0.00 179.01 177.09 1tl6 n ILE 11 N -3.13 0.00 -0.29 2.32 2.08 -0.83 -1.29 119.36 118.22 1tl6 n ILE 11 Ca 0.00 1.25 0.20 0.00 0.56 0.00 0.00 62.75 64.76 1tl6 n ILE 11 Cb 0.02 -1.69 0.37 0.00 -0.75 0.00 0.00 39.64 37.60 1tl6 n ILE 11 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1tl6 n ILE 12 N -2.60 -0.36 0.16 1.39 5.41 -0.91 -0.26 119.36 122.19 1tl6 n ILE 12 Ca 0.00 1.83 -0.11 0.00 1.00 0.00 0.00 62.75 65.47 1tl6 n ILE 12 Cb 0.00 -2.81 -0.06 0.00 -0.71 0.00 0.00 39.64 36.06 1tl6 n ILE 12 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1tl6 h THR 13 N 0.00 0.40 -0.23 1.39 2.02 -1.03 -1.14 112.91 114.31 1tl6 h THR 13 Ca 0.62 -0.72 0.06 0.00 0.77 0.00 0.00 66.41 67.15 1tl6 h THR 13 Cb 1.49 0.63 -0.07 0.00 -1.74 0.00 0.00 68.15 68.46 1tl6 h THR 13 CO -0.74 0.09 -0.23 -0.37 0.37 0.00 0.00 175.52 174.64 1tl6 h VAL 14 N -0.99 0.42 -0.75 3.16 -1.51 -1.12 -1.40 116.25 114.05 1tl6 h VAL 14 Ca -0.05 0.00 0.16 0.00 -1.23 0.00 0.00 66.70 65.58 1tl6 h VAL 14 Cb 0.51 0.42 -0.14 0.00 -2.13 0.00 0.00 31.29 29.95 1tl6 h VAL 14 CO 0.08 0.00 -0.12 0.00 -1.23 0.00 0.00 177.57 176.30 1tl6 h ALA 15 N 0.82 0.61 0.00 5.19 0.00 -0.69 -1.97 119.26 123.22 1tl6 h ALA 15 Ca 0.13 0.28 -0.16 0.00 0.00 0.00 0.00 54.91 55.16 1tl6 h ALA 15 Cb 0.44 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1tl6 h ALA 15 CO -0.37 -0.42 -1.37 0.66 0.00 0.00 0.00 179.25 177.75 1tl6 h SER 16 N 0.03 0.00 0.26 0.00 4.64 -0.97 -2.75 113.55 114.76 1tl6 h SER 16 Ca 0.38 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.61 1tl6 h SER 16 Cb 0.62 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1tl6 h SER 16 CO -0.74 0.56 -0.38 0.40 -0.87 0.00 0.00 176.83 175.80 1tl6 h ILE 17 N 0.00 1.29 0.06 0.95 2.04 -1.23 -2.94 117.51 117.68 1tl6 h ILE 17 Ca -0.15 -1.40 -0.00 0.00 1.00 0.00 0.00 64.86 64.30 1tl6 h ILE 17 Cb 1.56 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 1tl6 h ILE 17 CO 0.04 0.41 -0.03 0.25 0.00 0.00 0.00 178.15 178.83 1tl6 h LEU 18 N 0.15 -0.07 -0.76 1.44 7.12 -1.17 -3.36 115.31 118.65 1tl6 h LEU 18 Ca 0.02 -0.54 -0.13 0.00 0.13 0.00 0.00 57.88 57.36 1tl6 h LEU 18 Cb 0.74 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.87 1tl6 h LEU 18 CO 0.06 0.55 -0.52 0.16 -0.13 0.00 0.00 178.44 178.55 1tl6 h ILE 19 N -0.73 1.35 -0.19 4.05 3.07 -1.56 -3.36 117.51 120.14 1tl6 h ILE 19 Ca -0.01 -1.78 0.02 0.00 1.55 0.00 0.00 64.86 64.63 1tl6 h ILE 19 Cb 0.60 1.86 -0.02 0.00 -0.27 0.00 0.00 36.82 38.99 1tl6 h ILE 19 CO 0.01 0.53 -0.11 1.17 -1.05 0.00 0.00 178.15 178.70 1tl6 n LYS 20 N -3.94 -0.09 -3.83 0.16 4.81 -1.11 -2.30 118.16 111.86 1tl6 n LYS 20 Ca -0.02 0.84 -0.30 0.00 -0.87 0.00 0.00 58.31 57.96 1tl6 n LYS 20 Cb 0.56 -1.25 -0.11 0.00 0.02 0.00 0.00 35.03 34.25 1tl6 n LYS 20 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1tl6 n PHE 21 N -3.31 3.51 0.00 5.64 7.35 -1.26 -4.96 117.46 124.43 1tl6 n PHE 21 Ca 0.00 -4.27 0.00 0.00 -0.76 0.00 0.00 57.45 52.42 1tl6 n PHE 21 Cb 0.05 -0.75 0.00 0.00 0.35 0.00 0.00 39.48 39.13 1tl6 n PHE 21 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1tl6 n SER 22 N 2.00 0.00 -4.18 -2.13 2.88 -0.97 -5.08 113.62 106.14 1tl6 n SER 22 Ca 0.21 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.50 1tl6 n SER 22 Cb 0.36 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.66 1tl6 n SER 22 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1tl6 s ARG 23 N 0.56 1.43 0.23 -1.46 1.81 -1.26 -5.02 118.95 115.25 1tl6 s ARG 23 Ca 0.00 -0.66 0.24 0.00 -1.72 0.00 0.00 55.73 53.59 1tl6 s ARG 23 Cb 0.00 -1.40 0.41 0.00 -0.45 0.00 0.00 34.95 33.52 1tl6 s ARG 23 CO 0.00 0.38 1.46 1.49 -0.68 0.00 0.00 175.30 177.95 1tl6 h GLU 24 N 5.62 0.00 -0.76 3.54 4.81 -1.96 -3.37 114.58 122.46 1tl6 h GLU 24 Ca -0.37 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.95 1tl6 h GLU 24 Cb 1.15 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.46 1tl6 h GLU 24 CO 0.48 0.00 0.40 -0.44 -0.73 0.00 0.00 179.01 178.72 1tl6 h ASP 25 N 0.00 0.55 0.00 1.04 3.32 -1.96 0.14 116.42 119.52 1tl6 h ASP 25 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1tl6 h ASP 25 Cb 0.85 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1tl6 h ASP 25 CO 0.00 0.31 0.10 0.40 -1.72 0.00 0.00 179.24 178.33 1tl6 h ILE 26 N 0.68 0.00 0.05 0.35 2.04 -1.86 -2.61 117.51 116.15 1tl6 h ILE 26 Ca 0.37 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.88 1tl6 h ILE 26 Cb 0.37 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 1tl6 h ILE 26 CO -0.26 0.00 -2.08 1.33 0.00 0.00 0.00 178.15 177.14 1tl6 n VAL 27 N -2.88 1.61 -0.28 1.67 0.24 0.01 -2.26 118.33 116.44 1tl6 n VAL 27 Ca -0.02 -0.71 0.09 0.00 -2.04 0.00 0.00 64.34 61.65 1tl6 n VAL 27 Cb 0.16 -1.28 0.21 0.00 -1.47 0.00 0.00 33.84 31.46 1tl6 n VAL 27 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1tl6 h GLU 28 N 0.03 0.12 -5.81 7.34 5.08 -1.14 -3.36 114.58 116.83 1tl6 h GLU 28 Ca -0.44 -0.01 -0.65 0.00 -1.00 0.00 0.00 59.36 57.26 1tl6 h GLU 28 Cb 2.04 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 31.18 1tl6 h GLU 28 CO 0.04 0.08 -0.52 1.21 -1.00 0.00 0.00 179.01 178.82 1tl6 s ASN 29 N -5.14 6.14 -0.07 1.42 2.47 -1.20 -5.03 114.94 113.53 1tl6 s ASN 29 Ca -0.13 0.33 -0.22 0.00 0.42 0.00 0.00 52.86 53.26 1tl6 s ASN 29 Cb 0.24 -1.90 -0.30 0.00 -1.45 0.00 0.00 41.25 37.84 1tl6 s ASN 29 CO 0.76 0.32 0.79 0.03 -3.72 0.00 0.00 177.10 175.28 1tl6 h ARG 30 N 4.33 0.24 -0.99 0.43 2.47 -1.84 -3.32 114.38 115.69 1tl6 h ARG 30 Ca -0.51 -0.41 0.35 0.00 -1.26 0.00 0.00 59.98 58.15 1tl6 h ARG 30 Cb 1.20 0.15 -0.16 0.00 -1.65 0.00 0.00 29.97 29.51 1tl6 h ARG 30 CO 0.63 1.20 0.50 0.00 0.56 0.00 0.00 179.97 182.86 1tl6 h ALA 31 N 0.03 1.95 0.08 0.04 0.00 -1.94 -0.46 119.26 118.95 1tl6 h ALA 31 Ca -0.16 0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.74 1tl6 h ALA 31 Cb 1.57 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1tl6 h ALA 31 CO 0.10 -0.72 -1.14 -0.97 0.00 0.00 0.00 179.25 176.53 1tl6 h ASN 32 N 0.17 0.28 -0.04 0.00 -1.24 -1.81 -1.59 115.58 111.34 1tl6 h ASN 32 Ca 0.76 -0.29 -0.01 0.00 0.71 0.00 0.00 56.30 57.47 1tl6 h ASN 32 Cb 1.84 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 40.80 1tl6 h ASN 32 CO -0.69 1.22 -0.02 0.15 -1.29 0.00 0.00 177.43 176.79 1tl6 h PHE 33 N 0.05 0.10 -0.56 0.67 3.57 -0.64 -2.66 116.94 117.46 1tl6 h PHE 33 Ca -0.09 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 1tl6 h PHE 33 Cb 1.87 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 40.56 1tl6 h PHE 33 CO 0.04 0.47 0.31 0.82 -2.23 0.00 0.00 178.31 177.72 1tl6 h ILE 34 N -0.31 1.18 0.00 1.41 5.03 -1.56 -2.92 117.51 120.35 1tl6 h ILE 34 Ca 0.01 -0.46 -0.00 0.00 -0.12 0.00 0.00 64.86 64.29 1tl6 h ILE 34 Cb 0.45 0.47 -0.00 0.00 -3.03 0.00 0.00 36.82 34.70 1tl6 h ILE 34 CO 0.01 0.20 -0.00 0.00 -0.68 0.00 0.00 178.15 177.67 1tl6 h ALA 35 N 1.14 1.17 0.00 1.87 0.00 -0.99 0.28 119.26 122.74 1tl6 h ALA 35 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1tl6 h ALA 35 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1tl6 h ALA 35 CO -0.03 0.00 -1.02 1.19 0.00 0.00 0.00 179.25 179.39 1tl6 n PHE 36 N -3.33 0.29 0.14 0.00 3.01 -1.03 -2.76 117.46 113.77 1tl6 n PHE 36 Ca -0.03 0.08 -0.14 0.00 1.01 0.00 0.00 57.45 58.38 1tl6 n PHE 36 Cb 0.08 -0.46 -0.07 0.00 -0.01 0.00 0.00 39.48 39.02 1tl6 n PHE 36 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1tl6 h LEU 37 N 0.00 -0.27 -0.97 4.37 3.38 -0.95 -3.06 115.31 117.81 1tl6 h LEU 37 Ca 0.00 0.02 0.37 0.00 0.09 0.00 0.00 57.88 58.35 1tl6 h LEU 37 Cb 0.74 0.08 -0.18 0.00 0.09 0.00 0.00 40.66 41.39 1tl6 h LEU 37 CO 0.00 -0.18 0.39 0.59 0.09 0.00 0.00 178.44 179.32 1tl6 n ASN 38 N -5.22 0.21 0.16 -0.43 5.03 0.83 -1.59 115.26 114.25 1tl6 n ASN 38 Ca -0.09 1.62 -0.14 0.00 0.87 0.00 0.00 54.58 56.85 1tl6 n ASN 38 Cb 0.15 -0.74 -0.07 0.00 -1.02 0.00 0.00 39.78 38.10 1tl6 n ASN 38 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1tl6 h GLU 39 N 0.00 -0.57 -0.90 3.52 4.81 -1.43 -3.07 114.58 116.94 1tl6 h GLU 39 Ca 0.76 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 60.18 1tl6 h GLU 39 Cb 1.92 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 31.35 1tl6 h GLU 39 CO -0.79 -0.38 0.58 0.82 -0.73 0.00 0.00 179.01 178.51 1tl6 h ILE 40 N -0.59 0.81 0.00 2.32 2.04 -1.31 -3.46 117.51 117.32 1tl6 h ILE 40 Ca 0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1tl6 h ILE 40 Cb 0.57 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1tl6 h ILE 40 CO -0.11 0.12 0.00 0.61 0.00 0.00 0.00 178.15 178.78 1tl6 n GLY 41 N -1.43 1.57 3.69 5.37 0.00 -0.62 -5.07 105.19 108.70 1tl6 n GLY 41 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1tl6 n GLY 41 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1tl6 n VAL 42 N -1.25 0.32 -4.36 1.61 0.24 -1.20 -4.99 118.33 108.70 1tl6 n VAL 42 Ca 0.00 -0.06 -0.19 0.00 -2.04 0.00 0.00 64.34 62.05 1tl6 n VAL 42 Cb 0.00 -2.08 -0.10 0.00 -1.47 0.00 0.00 33.84 30.19 1tl6 n VAL 42 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1tl6 s THR 43 N 2.54 1.80 0.00 3.34 -4.23 -1.26 -1.68 115.64 116.15 1tl6 s THR 43 Ca 0.81 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1tl6 s THR 43 Cb -0.50 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1tl6 s THR 43 CO 0.37 -0.58 0.00 0.00 -0.54 0.00 0.00 174.62 173.87 1tl6 n HIS 44 N -0.40 0.00 -2.03 3.99 1.44 -0.77 -4.79 115.22 112.65 1tl6 n HIS 44 Ca -0.08 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.20 1tl6 n HIS 44 Cb 0.60 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.69 1tl6 n HIS 44 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1tl6 s GLU 45 N 4.87 3.55 0.00 -1.40 2.02 -1.26 -3.96 118.70 122.51 1tl6 s GLU 45 Ca 0.00 1.57 0.00 0.00 0.02 0.00 0.00 54.97 56.56 1tl6 s GLU 45 Cb 0.00 -4.13 0.00 0.00 0.10 0.00 0.00 34.13 30.10 1tl6 s GLU 45 CO 0.00 -1.60 0.00 0.41 0.02 0.00 0.00 175.26 174.09 1tl6 n GLY 46 N 5.09 0.00 3.22 -1.39 0.00 -1.26 -4.88 105.19 105.97 1tl6 n GLY 46 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.76 1.14 0.87 1.61 0.52 -1.25 -5.15 118.95 115.92 1tl6 s ARG 47 Ca 0.00 -1.52 -0.16 0.00 -0.52 0.00 0.00 55.73 53.53 1tl6 s ARG 47 Cb 0.00 0.28 -0.10 0.00 0.52 0.00 0.00 34.95 35.65 1tl6 s ARG 47 CO 0.00 -0.37 -0.29 1.63 0.02 0.00 0.00 175.30 176.29 1tl6 n LYS 48 N -0.22 -0.01 -2.87 3.54 4.76 -1.26 -1.85 118.16 120.25 1tl6 n LYS 48 Ca -0.01 0.01 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 1tl6 n LYS 48 Cb 0.65 -1.27 -0.07 0.00 -1.84 0.00 0.00 35.03 32.50 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 4.71 4.19 0.49 -0.35 1.98 -0.68 -4.37 118.68 124.65 1tl6 s LEU 49 Ca 0.49 1.69 0.05 0.00 -2.89 0.00 0.00 54.13 53.47 1tl6 s LEU 49 Cb -0.26 -4.13 -0.01 0.00 0.66 0.00 0.00 46.19 42.45 1tl6 s LEU 49 CO 0.74 -0.16 0.21 0.21 -1.89 0.00 0.00 176.35 175.46 1tl6 s ASN 50 N -1.86 4.41 0.00 3.68 3.84 -1.26 -4.77 114.94 118.98 1tl6 s ASN 50 Ca 0.53 -1.30 0.22 0.00 0.21 0.00 0.00 52.86 52.53 1tl6 s ASN 50 Cb -0.15 0.12 0.02 0.00 -0.55 0.00 0.00 41.25 40.69 1tl6 s ASN 50 CO 0.19 -0.83 1.09 0.00 -2.79 0.00 0.00 177.10 174.77 1tl6 n GLN 51 N -1.43 1.39 0.00 0.43 10.64 -1.26 -4.38 117.38 122.76 1tl6 n GLN 51 Ca -0.06 -1.11 0.07 0.00 -1.83 0.00 0.00 57.00 54.06 1tl6 n GLN 51 Cb 0.65 -1.46 -0.04 0.00 -0.86 0.00 0.00 30.24 28.53 1tl6 n GLN 51 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1tl6 n ASN 52 N 0.16 1.10 -0.69 2.61 4.13 -1.26 -4.65 115.26 116.65 1tl6 n ASN 52 Ca 0.10 -1.05 0.00 0.00 1.68 0.00 0.00 54.58 55.31 1tl6 n ASN 52 Cb 0.48 0.72 0.00 0.00 -1.54 0.00 0.00 39.78 39.43 1tl6 n ASN 52 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1tl6 n SER 53 N -0.70 1.63 0.19 6.41 3.41 -1.26 -4.44 113.62 118.86 1tl6 n SER 53 Ca 0.04 -1.85 0.07 0.00 -0.26 0.00 0.00 58.87 56.87 1tl6 n SER 53 Cb 0.26 -0.46 0.30 0.00 -0.26 0.00 0.00 64.21 64.04 1tl6 n SER 53 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1tl6 h PHE 54 N 0.11 0.00 0.15 7.33 -5.15 -1.88 -2.76 116.94 114.73 1tl6 h PHE 54 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1tl6 h PHE 54 Cb 0.64 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.79 1tl6 h PHE 54 CO 0.00 0.34 -0.15 -0.09 -2.00 0.00 0.00 178.31 176.41 1tl6 h ARG 55 N 0.00 -0.32 -1.14 6.09 2.43 -1.96 0.79 114.38 120.27 1tl6 h ARG 55 Ca -0.00 0.02 0.32 0.00 -0.81 0.00 0.00 59.98 59.51 1tl6 h ARG 55 Cb 0.97 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.53 1tl6 h ARG 55 CO 0.04 -0.21 0.79 0.87 -1.51 0.00 0.00 179.97 179.96 1tl6 h LYS 56 N -0.33 0.12 0.05 0.20 1.79 -1.85 0.54 116.57 117.09 1tl6 h LYS 56 Ca 0.01 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1tl6 h LYS 56 Cb 0.32 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1tl6 h LYS 56 CO -0.04 0.08 -0.02 0.82 -1.08 0.00 0.00 179.45 179.20 1tl6 h ILE 57 N 0.13 0.00 -0.00 1.86 2.04 -1.38 -3.45 117.51 116.70 1tl6 h ILE 57 Ca 0.58 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.40 1tl6 h ILE 57 Cb 2.04 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1tl6 h ILE 57 CO -0.11 0.00 -0.87 0.55 0.00 0.00 0.00 178.15 177.72 1tl6 n VAL 58 N -2.30 0.00 0.20 1.67 3.14 0.25 -3.97 118.33 117.32 1tl6 n VAL 58 Ca -0.01 -0.06 -0.15 0.00 -2.96 0.00 0.00 64.34 61.16 1tl6 n VAL 58 Cb 0.03 1.06 -0.08 0.00 -1.06 0.00 0.00 33.84 33.78 1tl6 n VAL 58 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1tl6 h SER 59 N 0.59 -0.37 0.00 6.55 4.64 -1.15 -3.06 113.55 120.76 1tl6 h SER 59 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1tl6 h SER 59 Cb 0.56 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1tl6 h SER 59 CO 0.00 -0.25 0.33 -0.33 -0.87 0.00 0.00 176.83 175.71 1tl6 h GLU 60 N -0.44 0.00 -5.47 4.77 5.08 -1.77 -3.44 114.58 113.31 1tl6 h GLU 60 Ca -0.04 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.72 1tl6 h GLU 60 Cb 0.34 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.48 1tl6 h GLU 60 CO 0.07 0.00 -0.24 -0.51 -1.00 0.00 0.00 179.01 177.33 1tl6 s LEU 61 N -4.34 4.20 0.00 1.33 1.43 -1.16 -5.05 118.68 115.09 1tl6 s LEU 61 Ca -0.02 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1tl6 s LEU 61 Cb 0.04 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1tl6 s LEU 61 CO 0.14 -0.01 0.02 0.35 0.23 0.00 0.00 176.35 177.08 1tl6 n THR 62 N 4.02 0.00 -0.19 5.49 -2.24 -1.26 -4.98 114.28 115.11 1tl6 n THR 62 Ca -0.09 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1tl6 n THR 62 Cb 0.51 -0.08 0.10 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.24 -0.89 -0.78 -0.00 -2.00 -2.47 115.11 109.20 1tl6 h GLN 63 Ca -0.06 -0.01 0.20 0.00 -0.00 0.00 0.00 58.65 58.77 1tl6 h GLN 63 Cb 0.20 -0.05 -0.11 0.00 0.00 0.00 0.00 27.48 27.51 1tl6 h GLN 63 CO 0.10 0.16 0.43 1.49 0.00 0.00 0.00 178.83 181.02 1tl6 h GLU 64 N 0.25 0.49 0.49 1.69 4.57 -1.99 -2.44 114.58 117.64 1tl6 h GLU 64 Ca 0.31 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.43 1tl6 h GLU 64 Cb 0.45 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1tl6 h GLU 64 CO -0.40 0.32 -0.24 0.22 -1.18 0.00 0.00 179.01 177.74 1tl6 h ASP 65 N 0.50 -0.56 -0.20 1.04 3.58 -1.84 -2.97 116.42 115.97 1tl6 h ASP 65 Ca 0.54 -0.07 0.06 0.00 0.42 0.00 0.00 57.03 57.98 1tl6 h ASP 65 Cb 0.94 0.14 -0.07 0.00 1.72 0.00 0.00 39.33 42.07 1tl6 h ASP 65 CO -0.47 -0.24 -0.27 0.50 -2.88 0.00 0.00 179.24 175.88 1tl6 h LYS 66 N -0.89 -0.30 0.00 0.28 3.64 -1.00 -1.85 116.57 116.45 1tl6 h LYS 66 Ca -0.07 0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.17 1tl6 h LYS 66 Cb 0.59 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 1tl6 h LYS 66 CO 0.11 -0.20 -1.33 -0.22 -2.27 0.00 0.00 179.45 175.55 1tl6 h LYS 67 N -0.31 0.00 -0.30 1.90 1.63 -1.72 -3.19 116.57 114.59 1tl6 h LYS 67 Ca 0.12 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.81 1tl6 h LYS 67 Cb 0.49 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 1tl6 h LYS 67 CO -0.37 0.32 -0.26 1.15 -3.45 0.00 0.00 179.45 176.84 1tl6 h THR 68 N 0.00 1.27 0.09 1.00 2.02 -1.22 0.22 112.91 116.29 1tl6 h THR 68 Ca -0.15 -1.33 -0.00 0.00 0.77 0.00 0.00 66.41 65.70 1tl6 h THR 68 Cb 1.57 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 1tl6 h THR 68 CO 0.05 0.43 -0.04 0.25 0.37 0.00 0.00 175.52 176.58 1tl6 h LEU 69 N 0.52 -0.10 0.00 2.58 6.46 -1.41 0.20 115.31 123.56 1tl6 h LEU 69 Ca 0.07 -0.48 0.00 0.00 -0.12 0.00 0.00 57.88 57.35 1tl6 h LEU 69 Cb 0.72 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 1tl6 h LEU 69 CO 0.06 0.48 0.00 -0.38 -0.62 0.00 0.00 178.44 177.98 1tl6 n ILE 70 N -4.87 0.06 0.01 4.05 2.08 -1.20 -0.13 119.36 119.35 1tl6 n ILE 70 Ca -0.08 0.01 -0.02 0.00 0.56 0.00 0.00 62.75 63.22 1tl6 n ILE 70 Cb 0.29 -0.54 -0.01 0.00 -0.75 0.00 0.00 39.64 38.63 1tl6 n ILE 70 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 1tl6 h ASP 71 N 0.00 -0.11 0.01 4.38 3.58 -0.44 -3.45 116.42 120.39 1tl6 h ASP 71 Ca 0.00 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.37 1tl6 h ASP 71 Cb 0.32 0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.40 1tl6 h ASP 71 CO 0.00 0.38 -0.34 -0.08 -2.88 0.00 0.00 179.24 176.31 1tl6 h GLU 72 N -1.03 0.21 -4.63 0.28 4.81 -0.08 -3.44 114.58 110.70 1tl6 h GLU 72 Ca -0.01 -0.24 -0.64 0.00 -0.13 0.00 0.00 59.36 58.34 1tl6 h GLU 72 Cb 0.10 0.07 -0.37 0.00 0.63 0.00 0.00 28.75 29.18 1tl6 h GLU 72 CO 0.02 0.99 -0.80 0.12 -0.73 0.00 0.00 179.01 178.61 1tl6 s PHE 73 N -3.00 2.74 -0.23 0.92 5.36 0.81 -4.99 117.98 119.59 1tl6 s PHE 73 Ca -0.15 -1.92 -0.17 0.00 -0.96 0.00 0.00 56.93 53.72 1tl6 s PHE 73 Cb 0.01 -1.74 -0.14 0.00 -0.34 0.00 0.00 43.02 40.82 1tl6 s PHE 73 CO 0.76 -0.81 -0.08 -1.71 -1.46 0.00 0.00 175.22 171.92 1tl6 n ASN 74 N 4.58 1.90 0.20 6.13 2.85 -1.26 -4.45 115.26 125.21 1tl6 n ASN 74 Ca -0.14 0.41 0.09 0.00 -0.11 0.00 0.00 54.58 54.83 1tl6 n ASN 74 Cb 0.44 -0.88 0.25 0.00 1.24 0.00 0.00 39.78 40.83 1tl6 n ASN 74 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1tl6 h GLU 75 N -1.00 0.00 0.06 1.20 4.81 -1.98 -1.32 114.58 116.36 1tl6 h GLU 75 Ca -0.42 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.57 1tl6 h GLU 75 Cb 1.31 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 1tl6 h GLU 75 CO -0.25 0.21 -1.08 0.78 -0.73 0.00 0.00 179.01 177.94 1tl6 h GLY 76 N 3.15 0.32 1.01 1.92 0.00 -1.95 -2.70 103.07 104.81 1tl6 h GLY 76 Ca -0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 47.33 46.51 1tl6 h GLY 76 CO 0.03 0.61 -0.30 -2.75 0.00 0.00 0.00 176.54 174.13 1tl6 h PHE 77 N 0.12 0.92 -0.47 5.60 3.57 -1.68 -2.83 116.94 122.18 1tl6 h PHE 77 Ca -0.10 -0.27 0.10 0.00 3.53 0.00 0.00 57.97 61.23 1tl6 h PHE 77 Cb 1.76 -0.20 -0.10 0.00 2.79 0.00 0.00 35.95 40.21 1tl6 h PHE 77 CO 0.05 1.04 -0.22 1.49 -2.23 0.00 0.00 178.31 178.44 1tl6 h GLU 78 N 0.54 -0.11 -0.53 1.11 4.22 -1.33 0.60 114.58 119.08 1tl6 h GLU 78 Ca 0.05 0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.57 1tl6 h GLU 78 Cb 0.87 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.05 1tl6 h GLU 78 CO 0.07 -0.07 -0.53 0.78 -2.18 0.00 0.00 179.01 177.08 1tl6 h GLY 79 N -0.12 -0.85 1.27 1.92 0.00 -1.36 -2.01 103.07 101.92 1tl6 h GLY 79 Ca 0.22 0.69 -0.20 0.00 0.00 0.00 0.00 47.33 48.04 1tl6 h GLY 79 CO -0.54 -0.11 -0.66 -0.24 0.00 0.00 0.00 176.54 174.99 1tl6 h VAL 80 N -0.31 1.29 0.05 4.60 3.04 -1.28 -3.09 116.25 120.56 1tl6 h VAL 80 Ca 0.11 -1.88 -0.00 0.00 -1.01 0.00 0.00 66.70 63.92 1tl6 h VAL 80 Cb 0.57 1.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 1tl6 h VAL 80 CO -0.66 0.60 -0.02 0.22 -1.01 0.00 0.00 177.57 176.69 1tl6 h TYR 81 N 0.54 -0.06 -0.15 3.17 3.20 -0.74 0.25 116.97 123.18 1tl6 h TYR 81 Ca -0.02 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.71 1tl6 h TYR 81 Cb 1.27 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.55 1tl6 h TYR 81 CO 0.07 0.04 -0.52 0.00 -1.64 0.00 0.00 178.16 176.11 1tl6 h ARG 82 N -0.15 0.41 -0.41 1.82 3.08 -1.49 -1.65 114.38 116.00 1tl6 h ARG 82 Ca -0.01 -0.25 -0.13 0.00 0.07 0.00 0.00 59.98 59.67 1tl6 h ARG 82 Cb 0.13 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1tl6 h ARG 82 CO 0.01 0.83 -0.26 -0.92 -1.07 0.00 0.00 179.97 178.56 1tl6 h TYR 83 N 0.32 0.98 -0.53 3.04 5.03 -1.44 -2.47 116.97 121.91 1tl6 h TYR 83 Ca 0.01 -0.24 -0.02 0.00 2.58 0.00 0.00 58.73 61.06 1tl6 h TYR 83 Cb 1.02 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 39.05 1tl6 h TYR 83 CO 0.03 1.01 0.25 1.25 -1.32 0.00 0.00 178.16 179.38 1tl6 h LEU 84 N 0.73 0.67 -0.51 2.82 5.85 -0.22 0.35 115.31 124.99 1tl6 h LEU 84 Ca 0.09 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1tl6 h LEU 84 Cb 0.81 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1tl6 h LEU 84 CO 0.07 0.58 0.21 -0.08 -0.34 0.00 0.00 178.44 178.88 1tl6 h GLU 85 N 0.75 0.76 0.00 1.25 4.81 -1.19 -3.30 114.58 117.65 1tl6 h GLU 85 Ca 0.19 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1tl6 h GLU 85 Cb 0.09 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1tl6 h GLU 85 CO -0.02 0.67 0.00 -0.12 -0.73 0.00 0.00 179.01 178.81 1tl6 n MET 86 N -4.55 0.00 0.00 1.92 1.56 -0.94 -4.80 117.12 110.32 1tl6 n MET 86 Ca 0.02 0.47 0.00 0.00 -0.27 0.00 0.00 57.70 57.91 1tl6 n MET 86 Cb 0.15 -1.42 0.00 0.00 2.15 0.00 0.00 33.22 34.10 1tl6 n MET 86 CO 0.00 0.00 0.00 2.48 -0.73 0.00 0.00 175.97 177.72 1tl6 n TYR 87 N -1.85 0.00 -3.15 1.12 0.18 0.12 -4.92 117.16 108.67 1tl6 n TYR 87 Ca 0.00 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.82 1tl6 n TYR 87 Cb 0.00 -0.40 -0.00 0.00 -0.38 0.00 0.00 39.34 38.56 1tl6 n TYR 87 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 1tl6 s THR 88 N -0.85 -0.97 0.14 -3.48 -1.32 -1.25 -5.09 115.64 102.82 1tl6 s THR 88 Ca 0.00 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 1tl6 s THR 88 Cb 0.00 -0.98 -0.04 0.00 -1.51 0.00 0.00 72.50 69.97 1tl6 s THR 88 CO 0.00 0.00 -0.00 0.21 -2.21 0.00 0.00 174.62 172.62 1tl6 s ASN 89 N 2.85 4.87 0.00 8.08 3.84 -1.26 -4.97 114.94 128.35 1tl6 s ASN 89 Ca 0.15 -0.30 0.00 0.00 0.21 0.00 0.00 52.86 52.92 1tl6 s ASN 89 Cb -0.12 -1.09 0.00 0.00 -0.55 0.00 0.00 41.25 39.49 1tl6 s ASN 89 CO -0.24 0.13 0.42 1.17 -2.79 0.00 0.00 177.10 175.79