#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 1.77 -0.03 1.20 -0.14 -1.26 -5.02 119.74 116.26 1tl6 s LYS 3 Ca 0.00 -1.68 -0.02 0.00 -1.36 0.00 0.00 55.97 52.90 1tl6 s LYS 3 Cb 0.00 0.42 -0.27 0.00 -1.68 0.00 0.00 37.83 36.30 1tl6 s LYS 3 CO 0.00 -0.72 0.73 -0.91 -0.76 0.00 0.00 175.35 173.70 1tl6 h ASN 4 N 2.19 0.36 -0.53 2.83 4.21 -1.99 -1.48 115.58 121.17 1tl6 h ASN 4 Ca -0.28 -0.57 0.05 0.00 1.21 0.00 0.00 56.30 56.70 1tl6 h ASN 4 Cb 1.24 -0.12 -0.06 0.00 -1.12 0.00 0.00 38.32 38.26 1tl6 h ASN 4 CO 0.39 1.49 -0.31 -0.38 -1.29 0.00 0.00 177.43 177.33 1tl6 n ILE 5 N -3.42 -0.36 -0.03 2.81 5.41 -1.26 -1.52 119.36 120.99 1tl6 n ILE 5 Ca -0.20 1.51 -0.12 0.00 1.00 0.00 0.00 62.75 64.94 1tl6 n ILE 5 Cb 1.05 -1.89 -0.07 0.00 -0.71 0.00 0.00 39.64 38.02 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 0.00 -1.43 -0.03 4.38 1.82 -1.88 0.32 116.42 119.59 1tl6 h ASP 6 Ca 0.08 0.19 -0.01 0.00 -0.39 0.00 0.00 57.03 56.90 1tl6 h ASP 6 Cb 0.22 0.59 -0.01 0.00 0.68 0.00 0.00 39.33 40.81 1tl6 h ASP 6 CO -0.50 -0.43 -0.00 0.74 -1.61 0.00 0.00 179.24 177.44 1tl6 h THR 7 N -0.47 1.06 0.03 2.25 2.02 -1.09 0.29 112.91 117.01 1tl6 h THR 7 Ca 0.08 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.91 1tl6 h THR 7 Cb 0.63 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1tl6 h THR 7 CO -0.45 0.08 -0.54 0.58 0.37 0.00 0.00 175.52 175.57 1tl6 h VAL 8 N 0.12 1.49 0.00 3.16 2.07 -1.14 -2.95 116.25 119.00 1tl6 h VAL 8 Ca 0.03 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.21 1tl6 h VAL 8 Cb 0.09 3.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1tl6 h VAL 8 CO 0.00 0.57 0.00 0.08 0.02 0.00 0.00 177.57 178.24 1tl6 h ARG 9 N -0.84 0.00 0.44 1.57 0.11 -0.22 -1.79 114.38 113.66 1tl6 h ARG 9 Ca -0.13 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.93 1tl6 h ARG 9 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1tl6 h ARG 9 CO -0.02 0.00 -0.21 1.49 0.10 0.00 0.00 179.97 181.33 1tl6 h GLU 10 N 0.00 -0.58 -0.87 0.08 4.81 -1.01 -2.53 114.58 114.48 1tl6 h GLU 10 Ca 0.00 0.04 0.17 0.00 -0.13 0.00 0.00 59.36 59.44 1tl6 h GLU 10 Cb 0.07 0.13 -0.16 0.00 0.63 0.00 0.00 28.75 29.42 1tl6 h GLU 10 CO 0.00 -0.32 -0.23 0.82 -0.73 0.00 0.00 179.01 178.55 1tl6 h ILE 11 N -1.10 0.12 0.01 2.32 2.04 -1.21 -1.77 117.51 117.92 1tl6 h ILE 11 Ca -0.06 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1tl6 h ILE 11 Cb 0.52 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1tl6 h ILE 11 CO 0.10 0.00 -0.00 0.40 0.00 0.00 0.00 178.15 178.65 1tl6 h ILE 12 N -0.01 0.81 0.01 -0.67 2.04 -1.47 -3.15 117.51 115.08 1tl6 h ILE 12 Ca 0.41 -1.59 0.02 0.00 1.00 0.00 0.00 64.86 64.70 1tl6 h ILE 12 Cb 0.63 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 1tl6 h ILE 12 CO -0.90 0.27 -0.16 0.74 0.00 0.00 0.00 178.15 178.10 1tl6 h THR 13 N -1.00 0.60 -0.30 -0.27 2.02 -1.41 0.17 112.91 112.72 1tl6 h THR 13 Ca -0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1tl6 h THR 13 Cb 0.45 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1tl6 h THR 13 CO 0.00 0.00 -0.08 0.58 0.37 0.00 0.00 175.52 176.39 1tl6 h VAL 14 N -0.27 1.28 -0.61 3.16 2.07 -1.49 -1.34 116.25 119.05 1tl6 h VAL 14 Ca 0.05 -1.13 0.11 0.00 0.82 0.00 0.00 66.70 66.55 1tl6 h VAL 14 Cb 0.34 1.40 -0.09 0.00 -1.52 0.00 0.00 31.29 31.42 1tl6 h VAL 14 CO -0.15 0.36 0.14 0.00 0.02 0.00 0.00 177.57 177.94 1tl6 h ALA 15 N 0.79 0.73 -0.55 1.67 0.00 -1.49 -2.97 119.26 117.43 1tl6 h ALA 15 Ca 0.08 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1tl6 h ALA 15 Cb 0.58 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1tl6 h ALA 15 CO 0.03 -0.29 0.09 0.77 0.00 0.00 0.00 179.25 179.85 1tl6 h SER 16 N 0.28 0.88 -0.50 0.00 0.02 -0.38 0.11 113.55 113.96 1tl6 h SER 16 Ca 0.32 -0.26 0.10 0.00 -0.84 0.00 0.00 61.79 61.11 1tl6 h SER 16 Cb 0.47 -0.23 -0.09 0.00 0.14 0.00 0.00 62.40 62.68 1tl6 h SER 16 CO -0.40 0.91 -0.10 0.40 -1.14 0.00 0.00 176.83 176.50 1tl6 h ILE 17 N 0.81 0.52 0.05 3.27 2.04 -1.18 -2.71 117.51 120.31 1tl6 h ILE 17 Ca 0.17 -0.01 -0.17 0.00 1.00 0.00 0.00 64.86 65.86 1tl6 h ILE 17 Cb 0.41 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1tl6 h ILE 17 CO 0.01 0.00 -0.85 0.25 0.00 0.00 0.00 178.15 177.57 1tl6 h LEU 18 N 0.02 0.18 -1.72 1.44 6.46 -1.34 -3.38 115.31 116.97 1tl6 h LEU 18 Ca 0.24 -0.83 -0.02 0.00 -0.12 0.00 0.00 57.88 57.16 1tl6 h LEU 18 Cb 0.37 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1tl6 h LEU 18 CO -0.50 1.36 -0.03 0.16 -0.62 0.00 0.00 178.44 178.81 1tl6 h ILE 19 N -0.71 1.09 0.00 4.05 3.07 -0.79 -1.00 117.51 123.22 1tl6 h ILE 19 Ca -0.20 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 65.86 1tl6 h ILE 19 Cb 1.39 1.05 0.00 0.00 -0.27 0.00 0.00 36.82 38.99 1tl6 h ILE 19 CO -0.01 0.11 0.00 1.17 -1.05 0.00 0.00 178.15 178.37 1tl6 n LYS 20 N -4.42 0.00 -0.19 0.16 3.00 -1.02 -3.09 118.16 112.60 1tl6 n LYS 20 Ca -0.01 0.65 0.06 0.00 -0.00 0.00 0.00 58.31 59.01 1tl6 n LYS 20 Cb 0.16 -1.00 0.15 0.00 0.00 0.00 0.00 35.03 34.34 1tl6 n LYS 20 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1tl6 n PHE 21 N -2.40 0.38 0.00 5.64 7.35 -1.10 -4.74 117.46 122.60 1tl6 n PHE 21 Ca 0.00 -0.75 0.00 0.00 -0.76 0.00 0.00 57.45 55.94 1tl6 n PHE 21 Cb 0.00 -0.15 0.00 0.00 0.35 0.00 0.00 39.48 39.68 1tl6 n PHE 21 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1tl6 n SER 22 N -0.53 0.00 -3.56 -2.13 7.64 -0.40 -5.12 113.62 109.52 1tl6 n SER 22 Ca 0.13 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.02 1tl6 n SER 22 Cb 0.58 -0.22 -0.06 0.00 -1.01 0.00 0.00 64.21 63.51 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 -0.79 0.19 -0.06 1.43 6.06 -1.18 -5.02 118.95 119.58 1tl6 s ARG 23 Ca 0.00 0.35 -0.09 0.00 -2.50 0.00 0.00 55.73 53.50 1tl6 s ARG 23 Cb 0.00 0.09 -0.29 0.00 0.06 0.00 0.00 34.95 34.81 1tl6 s ARG 23 CO 0.00 -0.04 0.60 1.49 -2.50 0.00 0.00 175.30 174.84 1tl6 h GLU 24 N 5.97 0.34 -0.20 5.12 4.81 -1.95 -3.39 114.58 125.28 1tl6 h GLU 24 Ca -0.24 -0.58 0.03 0.00 -0.13 0.00 0.00 59.36 58.43 1tl6 h GLU 24 Cb 1.16 0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.73 1tl6 h GLU 24 CO 0.18 1.26 -0.09 -0.25 -0.73 0.00 0.00 179.01 179.38 1tl6 n ASP 25 N -3.54 -0.15 0.18 1.04 9.92 -1.26 -0.99 116.55 121.75 1tl6 n ASP 25 Ca -0.26 0.36 -0.14 0.00 -0.53 0.00 0.00 54.79 54.21 1tl6 n ASP 25 Cb 1.07 -0.07 -0.08 0.00 -0.64 0.00 0.00 41.12 41.39 1tl6 n ASP 25 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1tl6 h ILE 26 N 0.00 0.70 -0.74 0.53 1.08 -1.93 -3.21 117.51 113.95 1tl6 h ILE 26 Ca 0.06 -0.29 0.02 0.00 -0.39 0.00 0.00 64.86 64.26 1tl6 h ILE 26 Cb 0.11 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 34.68 1tl6 h ILE 26 CO -0.20 0.06 0.48 -0.37 -0.69 0.00 0.00 178.15 177.43 1tl6 h VAL 27 N -0.59 1.15 -1.50 1.67 -1.51 -1.52 -2.86 116.25 111.09 1tl6 h VAL 27 Ca -0.04 -0.33 0.46 0.00 -1.23 0.00 0.00 66.70 65.56 1tl6 h VAL 27 Cb 0.43 0.11 -0.10 0.00 -2.13 0.00 0.00 31.29 29.60 1tl6 h VAL 27 CO 0.07 0.18 1.03 -0.33 -1.23 0.00 0.00 177.57 177.29 1tl6 h GLU 28 N 0.96 0.05 -2.96 5.19 5.08 -1.06 -0.88 114.58 120.97 1tl6 h GLU 28 Ca 0.28 -0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 58.02 1tl6 h GLU 28 Cb -0.06 -0.01 -0.41 0.00 0.50 0.00 0.00 28.75 28.77 1tl6 h GLU 28 CO -0.08 0.04 -0.70 -0.80 -1.00 0.00 0.00 179.01 176.46 1tl6 s ASN 29 N -4.41 3.79 0.10 1.42 0.02 -1.20 -5.04 114.94 109.62 1tl6 s ASN 29 Ca -0.06 -3.27 0.02 0.00 -1.02 0.00 0.00 52.86 48.52 1tl6 s ASN 29 Cb 0.28 -1.24 0.27 0.00 0.02 0.00 0.00 41.25 40.57 1tl6 s ASN 29 CO 0.84 -0.17 0.47 0.54 0.02 0.00 0.00 177.10 178.81 1tl6 n ARG 30 N 2.70 -0.02 0.00 -0.60 1.74 -0.34 -0.85 116.66 119.28 1tl6 n ARG 30 Ca 0.17 0.44 0.03 0.00 -0.77 0.00 0.00 57.85 57.72 1tl6 n ARG 30 Cb 0.37 -0.72 0.12 0.00 -1.02 0.00 0.00 32.46 31.21 1tl6 n ARG 30 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tl6 n ALA 31 N -3.34 1.25 -0.01 7.54 0.00 -1.26 -2.07 120.51 122.60 1tl6 n ALA 31 Ca 0.08 -0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.29 1tl6 n ALA 31 Cb 0.27 -1.09 -0.13 0.00 0.00 0.00 0.00 19.45 18.49 1tl6 n ALA 31 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1tl6 h ASN 32 N 0.00 0.34 -0.99 0.00 2.35 -1.20 -2.36 115.58 113.71 1tl6 h ASN 32 Ca 0.00 -0.86 0.22 0.00 -0.55 0.00 0.00 56.30 55.11 1tl6 h ASN 32 Cb 0.09 -0.11 -0.19 0.00 0.05 0.00 0.00 38.32 38.16 1tl6 h ASN 32 CO 0.00 1.78 -0.18 0.15 -1.65 0.00 0.00 177.43 177.53 1tl6 h PHE 33 N -0.16 -0.41 -0.16 1.19 3.57 -1.18 0.77 116.94 120.57 1tl6 h PHE 33 Ca -0.40 0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.11 1tl6 h PHE 33 Cb 1.88 0.34 -0.00 0.00 2.79 0.00 0.00 35.95 40.96 1tl6 h PHE 33 CO 0.08 -0.43 -0.17 0.82 -2.23 0.00 0.00 178.31 176.39 1tl6 h ILE 34 N 0.00 1.34 0.00 1.41 2.04 -1.53 -0.07 117.51 120.71 1tl6 h ILE 34 Ca 0.51 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1tl6 h ILE 34 Cb 0.86 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 1tl6 h ILE 34 CO -1.00 0.40 0.00 0.00 0.00 0.00 0.00 178.15 177.55 1tl6 n ALA 35 N -2.43 1.67 0.65 1.87 0.00 -0.89 -1.35 120.51 120.03 1tl6 n ALA 35 Ca -0.06 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.59 1tl6 n ALA 35 Cb 0.38 -1.39 0.35 0.00 0.00 0.00 0.00 19.45 18.79 1tl6 n ALA 35 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1tl6 n PHE 36 N -2.23 0.74 0.18 0.00 -0.00 0.24 -1.54 117.46 114.85 1tl6 n PHE 36 Ca 0.02 0.22 0.08 0.00 -0.00 0.00 0.00 57.45 57.77 1tl6 n PHE 36 Cb 0.23 -0.81 0.10 0.00 -0.00 0.00 0.00 39.48 39.00 1tl6 n PHE 36 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1tl6 h LEU 37 N 0.00 0.00 -0.01 -2.13 3.38 0.22 -3.05 115.31 113.73 1tl6 h LEU 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 0.00 0.19 -0.20 0.59 0.09 0.00 0.00 178.44 179.11 1tl6 n ASN 38 N -3.10 0.21 0.05 -0.43 5.03 -0.46 -3.04 115.26 113.52 1tl6 n ASN 38 Ca 0.02 0.18 -0.12 0.00 0.87 0.00 0.00 54.58 55.53 1tl6 n ASN 38 Cb 0.61 -0.20 -0.09 0.00 -1.02 0.00 0.00 39.78 39.09 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 0.01 -0.16 -1.10 3.52 4.81 -1.34 -3.34 114.58 116.98 1tl6 h GLU 39 Ca 0.00 0.01 0.31 0.00 -0.13 0.00 0.00 59.36 59.55 1tl6 h GLU 39 Cb 0.50 0.04 -0.11 0.00 0.63 0.00 0.00 28.75 29.80 1tl6 h GLU 39 CO 0.00 0.27 0.70 0.82 -0.73 0.00 0.00 179.01 180.07 1tl6 h ILE 40 N -0.67 0.40 -0.87 2.32 2.04 -1.47 -3.46 117.51 115.79 1tl6 h ILE 40 Ca -0.02 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1tl6 h ILE 40 Cb 0.51 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1tl6 h ILE 40 CO 0.03 0.06 0.00 0.61 0.00 0.00 0.00 178.15 178.85 1tl6 n GLY 41 N -1.46 0.83 3.62 5.37 0.00 -1.20 -5.07 105.19 107.28 1tl6 n GLY 41 Ca 0.29 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 1tl6 n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1tl6 s VAL 42 N -2.58 4.97 0.01 1.61 -7.23 -1.23 -5.04 120.40 110.91 1tl6 s VAL 42 Ca 0.00 1.03 0.02 0.00 -1.81 0.00 0.00 61.98 61.21 1tl6 s VAL 42 Cb 0.00 -3.95 -0.01 0.00 0.56 0.00 0.00 36.38 32.98 1tl6 s VAL 42 CO 0.00 -0.03 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.82 1tl6 s THR 43 N 2.53 0.41 0.00 5.32 2.01 -1.26 -4.53 115.64 120.13 1tl6 s THR 43 Ca 0.26 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.76 1tl6 s THR 43 Cb -0.15 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 71.95 1tl6 s THR 43 CO 0.10 -0.07 0.00 1.41 -0.69 0.00 0.00 174.62 175.37 1tl6 n HIS 44 N 2.45 0.00 -1.57 4.92 8.25 -1.22 -4.96 115.22 123.08 1tl6 n HIS 44 Ca -0.16 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.89 1tl6 n HIS 44 Cb 0.57 0.00 -0.01 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 2.86 0.00 -0.41 1.02 -1.26 -4.25 120.64 118.60 1tl6 n GLU 45 Ca 0.00 -2.43 0.00 0.00 -0.02 0.00 0.00 57.16 54.71 1tl6 n GLU 45 Cb 0.00 -3.14 0.00 0.00 -0.02 0.00 0.00 31.44 28.28 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 4.04 2.80 2.99 0.62 0.00 -1.26 -4.96 105.19 109.42 1tl6 n GLY 46 Ca 0.57 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.05 1.04 -0.17 1.61 0.52 -1.26 -5.11 118.95 115.53 1tl6 s ARG 47 Ca 0.00 -0.29 -0.41 0.00 -0.52 0.00 0.00 55.73 54.51 1tl6 s ARG 47 Cb 0.00 -0.96 -0.18 0.00 0.52 0.00 0.00 34.95 34.34 1tl6 s ARG 47 CO 0.00 0.08 1.46 1.63 0.02 0.00 0.00 175.30 178.49 1tl6 n LYS 48 N 3.45 0.67 -2.39 3.54 4.76 -1.26 -3.43 118.16 123.51 1tl6 n LYS 48 Ca -0.20 0.24 -0.43 0.00 -2.87 0.00 0.00 58.31 55.06 1tl6 n LYS 48 Cb 0.53 -1.84 -0.02 0.00 -1.84 0.00 0.00 35.03 31.86 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 1.85 3.68 0.78 -0.35 0.20 -1.26 -5.00 118.68 118.58 1tl6 s LEU 49 Ca 0.94 0.92 -0.03 0.00 0.69 0.00 0.00 54.13 56.65 1tl6 s LEU 49 Cb -1.17 -3.54 0.15 0.00 -0.43 0.00 0.00 46.19 41.20 1tl6 s LEU 49 CO 0.62 -1.32 1.07 0.54 -0.29 0.00 0.00 176.35 176.97 1tl6 s ASN 50 N 3.51 4.02 0.20 3.68 2.20 -1.26 -4.91 114.94 122.38 1tl6 s ASN 50 Ca 0.59 -0.35 -0.01 0.00 -0.94 0.00 0.00 52.86 52.15 1tl6 s ASN 50 Cb -0.14 0.09 0.13 0.00 -2.00 0.00 0.00 41.25 39.34 1tl6 s ASN 50 CO 0.30 -2.09 1.51 0.06 -2.94 0.00 0.00 177.10 173.93 1tl6 h GLN 51 N -0.77 0.47 -0.11 3.55 -0.00 -1.97 -2.88 115.11 113.40 1tl6 h GLN 51 Ca -0.36 -0.31 0.03 0.00 -0.00 0.00 0.00 58.65 58.01 1tl6 h GLN 51 Cb 1.26 0.04 -0.00 0.00 -0.00 0.00 0.00 27.48 28.77 1tl6 h GLN 51 CO 0.37 0.92 0.12 -0.91 -0.00 0.00 0.00 178.83 179.34 1tl6 h ASN 52 N 0.35 0.00 0.49 0.06 2.35 -2.00 -2.70 115.58 114.13 1tl6 h ASN 52 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1tl6 h ASN 52 Cb 1.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1tl6 h ASN 52 CO 0.10 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.68 1tl6 n SER 53 N -3.88 0.33 0.13 5.81 7.64 -1.09 -3.32 113.62 119.24 1tl6 n SER 53 Ca -0.00 0.59 0.11 0.00 1.01 0.00 0.00 58.87 60.58 1tl6 n SER 53 Cb 0.23 -0.66 0.50 0.00 -1.01 0.00 0.00 64.21 63.27 1tl6 n SER 53 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1tl6 n PHE 54 N -1.88 0.74 -0.02 1.43 7.35 -1.02 -2.19 117.46 121.88 1tl6 n PHE 54 Ca 0.02 0.31 -0.13 0.00 -0.76 0.00 0.00 57.45 56.90 1tl6 n PHE 54 Cb 0.16 -1.00 -0.09 0.00 0.35 0.00 0.00 39.48 38.90 1tl6 n PHE 54 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1tl6 h ARG 55 N 0.00 0.09 -0.62 -4.13 2.43 -1.83 0.11 114.38 110.43 1tl6 h ARG 55 Ca 0.00 -0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.25 1tl6 h ARG 55 Cb 0.27 -0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.71 1tl6 h ARG 55 CO 0.00 0.52 -0.09 -0.22 -1.51 0.00 0.00 179.97 178.67 1tl6 h LYS 56 N -0.34 0.04 0.00 0.20 1.63 -1.69 -2.94 116.57 113.47 1tl6 h LYS 56 Ca 0.01 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1tl6 h LYS 56 Cb 0.50 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1tl6 h LYS 56 CO 0.01 0.03 0.00 -0.89 -3.45 0.00 0.00 179.45 175.14 1tl6 n ILE 57 N -5.37 0.00 0.31 2.00 2.08 -1.04 -3.00 119.36 114.33 1tl6 n ILE 57 Ca 0.08 1.24 0.19 0.00 0.56 0.00 0.00 62.75 64.82 1tl6 n ILE 57 Cb 0.34 -2.08 1.01 0.00 -0.75 0.00 0.00 39.64 38.16 1tl6 n ILE 57 CO 0.00 0.00 0.00 1.62 0.56 0.00 0.00 176.55 178.73 1tl6 h VAL 58 N 0.00 0.19 0.07 1.39 3.04 -0.58 0.16 116.25 120.52 1tl6 h VAL 58 Ca 0.00 -0.17 -0.31 0.00 -1.01 0.00 0.00 66.70 65.20 1tl6 h VAL 58 Cb 0.00 1.14 -0.03 0.00 -2.01 0.00 0.00 31.29 30.39 1tl6 h VAL 58 CO 0.00 0.02 -1.72 -1.28 -1.01 0.00 0.00 177.57 173.58 1tl6 h SER 59 N 0.00 0.23 -0.11 3.17 0.87 -1.71 -3.32 113.55 112.68 1tl6 h SER 59 Ca -0.00 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1tl6 h SER 59 Cb 0.14 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1tl6 h SER 59 CO 0.00 1.38 0.00 -0.62 -0.53 0.00 0.00 176.83 177.06 1tl6 n GLU 60 N -3.30 1.32 -3.20 2.24 1.02 -0.13 -4.44 120.64 114.16 1tl6 n GLU 60 Ca -0.21 -0.50 -0.39 0.00 -0.02 0.00 0.00 57.16 56.05 1tl6 n GLU 60 Cb 1.04 -1.23 -0.05 0.00 -0.02 0.00 0.00 31.44 31.18 1tl6 n GLU 60 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1tl6 s LEU 61 N -1.30 4.35 0.00 -4.62 1.43 -0.19 -4.82 118.68 113.53 1tl6 s LEU 61 Ca 0.20 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 1tl6 s LEU 61 Cb 0.10 -2.89 0.00 0.00 0.03 0.00 0.00 46.19 43.43 1tl6 s LEU 61 CO 0.16 0.01 0.00 0.35 0.23 0.00 0.00 176.35 177.10 1tl6 n THR 62 N 3.29 0.00 -0.03 5.49 -2.24 -1.26 -4.91 114.28 114.62 1tl6 n THR 62 Ca -0.05 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.58 1tl6 n THR 62 Cb 0.51 -0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.43 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 0.19 -0.21 -0.78 4.15 -1.98 -3.29 115.11 113.19 1tl6 h GLN 63 Ca 0.00 -0.17 -0.12 0.00 0.77 0.00 0.00 58.65 59.14 1tl6 h GLN 63 Cb 0.00 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 1tl6 h GLN 63 CO 0.00 0.84 -0.36 0.93 -1.93 0.00 0.00 178.83 178.31 1tl6 h GLU 64 N -0.40 0.47 0.06 1.69 5.08 -2.01 -2.66 114.58 116.81 1tl6 h GLU 64 Ca -0.02 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1tl6 h GLU 64 Cb 0.88 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1tl6 h GLU 64 CO 0.04 0.76 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.34 1tl6 h ASP 65 N 0.40 -0.07 -0.84 1.42 3.32 -1.96 -2.48 116.42 116.20 1tl6 h ASP 65 Ca 0.04 -0.04 0.20 0.00 0.02 0.00 0.00 57.03 57.26 1tl6 h ASP 65 Cb 0.81 0.02 -0.15 0.00 0.22 0.00 0.00 39.33 40.23 1tl6 h ASP 65 CO 0.07 -0.01 0.01 0.50 -1.72 0.00 0.00 179.24 178.09 1tl6 h LYS 66 N -0.13 0.08 0.17 3.56 3.64 -1.54 0.20 116.57 122.55 1tl6 h LYS 66 Ca -0.01 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1tl6 h LYS 66 Cb 0.10 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1tl6 h LYS 66 CO 0.01 0.05 -0.08 -0.22 -2.27 0.00 0.00 179.45 176.94 1tl6 h LYS 67 N 0.08 -0.22 -0.87 1.90 1.63 -1.38 -3.11 116.57 114.60 1tl6 h LYS 67 Ca 0.48 0.02 0.24 0.00 -0.85 0.00 0.00 60.65 60.53 1tl6 h LYS 67 Cb 0.88 0.05 -0.16 0.00 -0.60 0.00 0.00 32.23 32.40 1tl6 h LYS 67 CO -0.76 0.14 0.00 2.41 -3.45 0.00 0.00 179.45 177.80 1tl6 n THR 68 N -4.92 -0.37 0.02 1.00 -1.04 -0.95 -1.45 114.28 106.58 1tl6 n THR 68 Ca -0.07 1.92 -0.11 0.00 -2.04 0.00 0.00 64.05 63.76 1tl6 n THR 68 Cb 0.24 -2.80 -0.07 0.00 -1.82 0.00 0.00 70.33 65.88 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 -1.16 -0.50 -4.42 6.46 -0.62 -3.18 115.31 111.88 1tl6 h LEU 69 Ca 0.52 0.13 -0.06 0.00 -0.12 0.00 0.00 57.88 58.35 1tl6 h LEU 69 Cb 1.06 0.45 -0.02 0.00 -0.73 0.00 0.00 40.66 41.42 1tl6 h LEU 69 CO -0.82 -0.35 0.07 0.40 -0.62 0.00 0.00 178.44 177.12 1tl6 h ILE 70 N -0.43 1.25 0.00 4.05 2.04 -1.27 -2.81 117.51 120.34 1tl6 h ILE 70 Ca 0.01 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 1tl6 h ILE 70 Cb 0.48 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1tl6 h ILE 70 CO -0.27 0.34 -0.23 -0.78 0.00 0.00 0.00 178.15 177.20 1tl6 h ASP 71 N 0.72 0.00 0.05 1.72 3.58 -1.34 -2.49 116.42 118.65 1tl6 h ASP 71 Ca 0.15 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.40 1tl6 h ASP 71 Cb 0.42 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1tl6 h ASP 71 CO 0.01 0.23 -1.07 -0.08 -2.88 0.00 0.00 179.24 175.45 1tl6 h GLU 72 N 0.00 0.11 -3.02 0.28 4.81 -1.50 -3.44 114.58 111.82 1tl6 h GLU 72 Ca -0.00 -0.18 -0.62 0.00 -0.13 0.00 0.00 59.36 58.43 1tl6 h GLU 72 Cb 0.51 0.07 -0.40 0.00 0.63 0.00 0.00 28.75 29.56 1tl6 h GLU 72 CO 0.03 1.09 -0.70 -0.06 -0.73 0.00 0.00 179.01 178.64 1tl6 s PHE 73 N -2.38 2.51 0.00 0.92 0.08 -1.06 -4.89 117.98 113.15 1tl6 s PHE 73 Ca -0.23 -2.79 0.11 0.00 0.12 0.00 0.00 56.93 54.15 1tl6 s PHE 73 Cb 0.03 -2.17 -0.20 0.00 -0.57 0.00 0.00 43.02 40.12 1tl6 s PHE 73 CO 0.69 -0.72 0.95 -0.97 -0.10 0.00 0.00 175.22 175.07 1tl6 h ASN 74 N 6.25 0.00 -0.02 1.36 -1.24 -1.75 -3.19 115.58 116.98 1tl6 h ASN 74 Ca 0.04 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.08 1tl6 h ASN 74 Cb 0.88 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.90 1tl6 h ASN 74 CO 0.57 0.93 -0.12 -0.33 -1.29 0.00 0.00 177.43 177.19 1tl6 h GLU 75 N 0.00 -0.19 0.00 6.67 5.08 -1.90 -0.62 114.58 123.63 1tl6 h GLU 75 Ca -0.16 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 1tl6 h GLU 75 Cb 1.85 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 1tl6 h GLU 75 CO 0.09 -0.13 -0.26 0.78 -1.00 0.00 0.00 179.01 178.49 1tl6 h GLY 76 N -0.20 0.00 0.70 -3.84 0.00 -1.97 -0.07 103.07 97.69 1tl6 h GLY 76 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1tl6 h GLY 76 CO -0.13 0.00 -0.02 -2.75 0.00 0.00 0.00 176.54 173.64 1tl6 h PHE 77 N 0.00 -0.04 0.03 5.60 3.57 -1.40 -1.74 116.94 122.96 1tl6 h PHE 77 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1tl6 h PHE 77 Cb 0.69 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1tl6 h PHE 77 CO 0.00 0.26 -0.01 0.93 -2.23 0.00 0.00 178.31 177.25 1tl6 h GLU 78 N -0.34 -0.03 -1.13 1.11 5.08 -1.11 -3.02 114.58 115.13 1tl6 h GLU 78 Ca -0.00 0.00 0.32 0.00 -1.00 0.00 0.00 59.36 58.67 1tl6 h GLU 78 Cb 0.32 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.48 1tl6 h GLU 78 CO 0.01 -0.02 0.73 0.78 -1.00 0.00 0.00 179.01 179.51 1tl6 h GLY 79 N -0.04 1.13 0.60 -3.84 0.00 -0.85 0.67 103.07 100.74 1tl6 h GLY 79 Ca -0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 1tl6 h GLY 79 CO 0.01 -0.19 -1.53 1.55 0.00 0.00 0.00 176.54 176.37 1tl6 n VAL 80 N -4.61 0.63 0.07 4.60 3.14 -0.67 -3.11 118.33 118.38 1tl6 n VAL 80 Ca 0.28 -0.59 -0.05 0.00 -2.96 0.00 0.00 64.34 61.03 1tl6 n VAL 80 Cb 1.06 -0.34 0.15 0.00 -1.06 0.00 0.00 33.84 33.65 1tl6 n VAL 80 CO 0.00 0.00 0.00 0.22 -6.46 0.00 0.00 176.83 170.59 1tl6 h TYR 81 N 0.00 0.39 -0.61 1.45 3.20 -0.99 0.22 116.97 120.63 1tl6 h TYR 81 Ca -0.09 -0.12 -0.03 0.00 3.14 0.00 0.00 58.73 61.64 1tl6 h TYR 81 Cb 1.24 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.41 1tl6 h TYR 81 CO 0.00 0.75 0.28 0.00 -1.64 0.00 0.00 178.16 177.55 1tl6 h ARG 82 N 0.25 0.88 -0.55 1.82 2.47 -1.03 -1.46 114.38 116.77 1tl6 h ARG 82 Ca 0.01 -0.14 -0.10 0.00 -1.26 0.00 0.00 59.98 58.49 1tl6 h ARG 82 Cb 0.96 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 29.10 1tl6 h ARG 82 CO 0.08 0.72 -0.07 -0.92 0.56 0.00 0.00 179.97 180.34 1tl6 h TYR 83 N 0.83 1.09 0.27 3.04 5.03 -1.42 -2.66 116.97 123.15 1tl6 h TYR 83 Ca 0.21 -0.21 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 1tl6 h TYR 83 Cb 0.14 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.13 1tl6 h TYR 83 CO 0.00 1.00 -0.20 1.25 -1.32 0.00 0.00 178.16 178.90 1tl6 h LEU 84 N 0.89 -0.51 -0.68 2.82 6.46 -0.36 0.18 115.31 124.12 1tl6 h LEU 84 Ca 0.15 0.04 -0.14 0.00 -0.12 0.00 0.00 57.88 57.81 1tl6 h LEU 84 Cb 0.62 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.70 1tl6 h LEU 84 CO 0.04 -0.31 -0.55 -0.08 -0.62 0.00 0.00 178.44 176.92 1tl6 h GLU 85 N -0.47 0.32 0.15 1.25 4.81 -1.34 -2.53 114.58 116.76 1tl6 h GLU 85 Ca -0.02 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1tl6 h GLU 85 Cb 0.41 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1tl6 h GLU 85 CO -0.00 0.78 -0.07 1.98 -0.73 0.00 0.00 179.01 180.97 1tl6 h MET 86 N 0.24 -0.19 0.00 1.92 4.05 -1.45 -3.45 114.93 116.04 1tl6 h MET 86 Ca 0.00 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1tl6 h MET 86 Cb 1.04 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.89 1tl6 h MET 86 CO 0.09 0.18 0.00 0.66 0.23 0.00 0.00 176.91 178.07 1tl6 n TYR 87 N -5.00 0.00 -3.62 1.39 4.01 0.61 -5.10 117.16 109.46 1tl6 n TYR 87 Ca -0.09 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.53 1tl6 n TYR 87 Cb 0.24 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.20 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 -0.69 0.00 -0.37 -0.72 -1.32 -0.96 -5.01 115.64 106.57 1tl6 s THR 88 Ca 0.00 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.44 1tl6 s THR 88 Cb 0.00 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.07 1tl6 s THR 88 CO 0.00 0.00 0.15 0.21 -2.21 0.00 0.00 174.62 172.77 1tl6 s ASN 89 N 0.04 5.25 0.00 8.08 2.47 -1.26 -4.15 114.94 125.37 1tl6 s ASN 89 Ca -0.00 -1.59 0.25 0.00 0.42 0.00 0.00 52.86 51.94 1tl6 s ASN 89 Cb -0.04 -1.84 0.49 0.00 -1.45 0.00 0.00 41.25 38.41 1tl6 s ASN 89 CO -0.00 -0.44 1.43 2.29 -3.72 0.00 0.00 177.10 176.66