#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d6t n LEU 2 N 0.00 0.00 0.00 4.03 7.99 -1.26 -5.01 117.00 122.76 1d6t n LEU 2 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 56.01 55.92 1d6t n LEU 2 Cb 0.00 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.32 1d6t n LEU 2 CO 0.00 0.00 0.08 -0.11 -1.51 0.00 0.00 177.39 175.85 1d6t n LEU 3 N 0.00 0.00 0.00 2.23 -0.00 -1.26 -5.15 117.00 112.82 1d6t n LEU 3 Ca 0.00 -0.89 0.00 0.00 -0.00 0.00 0.00 56.01 55.12 1d6t n LEU 3 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 1d6t n LEU 3 CO 0.00 -0.48 0.00 -0.62 -0.00 0.00 0.00 177.39 176.29 1d6t n GLU 4 N -1.20 1.83 0.00 1.96 1.02 -1.26 -5.04 120.64 117.96 1d6t n GLU 4 Ca 0.03 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.28 1d6t n GLU 4 Cb 0.20 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 31.74 1d6t n GLU 4 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1d6t n LYS 5 N 0.00 1.14 -0.08 3.49 2.85 -1.26 -4.18 118.16 120.12 1d6t n LYS 5 Ca 0.00 -0.88 0.25 0.00 -1.05 0.00 0.00 58.31 56.64 1d6t n LYS 5 Cb 0.00 -1.48 0.72 0.00 -0.65 0.00 0.00 35.03 33.62 1d6t n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1d6t h ALA 6 N 3.86 2.59 -0.56 0.58 0.00 -1.96 1.60 119.26 125.37 1d6t h ALA 6 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1d6t h ALA 6 Cb 0.69 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1d6t h ALA 6 CO 0.00 -0.95 0.00 0.66 0.00 0.00 0.00 179.25 178.96 1d6t n TYR 7 N -4.06 1.98 -2.97 0.00 4.01 -1.26 -4.89 117.16 109.98 1d6t n TYR 7 Ca 0.14 -0.69 -0.40 0.00 -0.16 0.00 0.00 57.90 56.79 1d6t n TYR 7 Cb 0.85 -0.48 -0.05 0.00 -0.31 0.00 0.00 39.34 39.35 1d6t n TYR 7 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1d6t s ARG 8 N -2.63 4.49 -0.31 -0.72 3.52 0.55 -2.39 118.95 121.44 1d6t s ARG 8 Ca 0.53 1.05 -0.09 0.00 -0.13 0.00 0.00 55.73 57.09 1d6t s ARG 8 Cb 0.40 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 30.39 1d6t s ARG 8 CO 0.16 0.18 0.14 0.42 -0.81 0.00 0.00 175.30 175.39 1d6t s ILE 9 N 0.30 4.41 0.55 4.11 1.01 -1.25 -4.94 121.20 125.39 1d6t s ILE 9 Ca 0.40 -0.55 0.50 0.00 0.00 0.00 0.00 60.65 61.00 1d6t s ILE 9 Cb -0.20 -3.28 0.73 0.00 0.01 0.00 0.00 42.46 39.73 1d6t s ILE 9 CO 0.22 0.04 1.54 1.17 0.00 0.00 0.00 174.94 177.91 1d6t n LYS 10 N 4.95 0.00 -0.01 2.79 4.81 -1.26 -4.66 118.16 124.78 1d6t n LYS 10 Ca -0.14 1.07 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 1d6t n LYS 10 Cb 0.48 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.07 1d6t n LYS 10 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1d6t n LYS 11 N -3.89 0.00 0.00 1.64 4.81 -1.26 -4.84 118.16 114.63 1d6t n LYS 11 Ca 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 1d6t n LYS 11 Cb 1.99 -0.68 0.00 0.00 0.02 0.00 0.00 35.03 36.37 1d6t n LYS 11 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1d6t n ASN 12 N 0.00 0.00 -0.18 3.14 4.13 -1.26 -4.56 115.26 116.53 1d6t n ASN 12 Ca 0.00 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.25 1d6t n ASN 12 Cb 0.00 0.00 0.08 0.00 -1.54 0.00 0.00 39.78 38.32 1d6t n ASN 12 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1d6t h ALA 13 N 0.95 0.57 -0.04 5.41 0.00 -1.97 2.16 119.26 126.33 1d6t h ALA 13 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1d6t h ALA 13 Cb 0.00 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1d6t h ALA 13 CO 0.00 -0.36 0.07 -0.44 0.00 0.00 0.00 179.25 178.52 1d6t h ASP 14 N 0.16 0.00 0.22 0.00 5.19 -1.91 0.28 116.42 120.37 1d6t h ASP 14 Ca 0.28 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.35 1d6t h ASP 14 Cb 0.43 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.89 1d6t h ASP 14 CO -0.43 0.00 -2.05 0.49 -3.12 0.00 0.00 179.24 174.14 1d6t n PHE 15 N -3.53 0.67 -0.12 4.55 3.01 0.34 -4.08 117.46 118.30 1d6t n PHE 15 Ca -0.02 0.20 -0.12 0.00 1.01 0.00 0.00 57.45 58.52 1d6t n PHE 15 Cb 0.15 -1.11 -0.02 0.00 -0.01 0.00 0.00 39.48 38.49 1d6t n PHE 15 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1d6t h GLN 16 N 0.02 0.81 -0.03 -1.08 3.07 0.44 -1.93 115.11 116.41 1d6t h GLN 16 Ca -0.42 -0.37 0.01 0.00 0.09 0.00 0.00 58.65 57.96 1d6t h GLN 16 Cb 2.06 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 29.61 1d6t h GLN 16 CO 0.05 1.00 0.05 0.00 0.09 0.00 0.00 178.83 180.01 1d6t h ARG 17 N 0.60 0.00 0.00 0.06 3.08 -0.69 0.31 114.38 117.74 1d6t h ARG 17 Ca 0.08 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1d6t h ARG 17 Cb 0.78 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 1d6t h ARG 17 CO 0.06 0.00 -0.11 0.82 -1.07 0.00 0.00 179.97 179.67 1d6t h ILE 18 N 0.00 0.05 0.00 2.04 1.08 -1.60 -3.31 117.51 115.77 1d6t h ILE 18 Ca 0.01 -1.04 0.00 0.00 -0.39 0.00 0.00 64.86 63.44 1d6t h ILE 18 Cb 0.11 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 33.96 1d6t h ILE 18 CO -0.00 0.02 0.00 -1.22 -0.69 0.00 0.00 178.15 176.26 1d6t n TYR 19 N -4.74 0.54 0.00 1.37 4.02 -0.76 0.32 117.16 117.91 1d6t n TYR 19 Ca -0.02 0.28 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 1d6t n TYR 19 Cb 0.07 -0.95 0.00 0.00 -0.02 0.00 0.00 39.34 38.44 1d6t n TYR 19 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1d6t n LYS 20 N -2.06 0.00 -0.00 -0.72 3.00 0.11 -4.63 118.16 113.86 1d6t n LYS 20 Ca -0.01 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.36 1d6t n LYS 20 Cb 0.03 -0.60 -0.09 0.00 0.00 0.00 0.00 35.03 34.38 1d6t n LYS 20 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1d6t n LYS 21 N -0.17 1.44 -0.95 1.64 0.00 -1.23 -5.03 118.16 113.87 1d6t n LYS 21 Ca 0.00 -0.07 -0.37 0.00 -0.00 0.00 0.00 58.31 57.87 1d6t n LYS 21 Cb 0.00 -1.20 0.06 0.00 -0.00 0.00 0.00 35.03 33.88 1d6t n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1d6t n GLY 22 N 1.59 -3.43 3.13 2.58 0.00 0.15 -4.93 105.19 104.28 1d6t n GLY 22 Ca -0.00 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 1d6t n GLY 22 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1d6t s HIS 23 N -2.06 3.39 0.09 1.61 -3.43 -0.76 -4.85 115.29 109.29 1d6t s HIS 23 Ca 0.41 -2.17 -0.17 0.00 -0.80 0.00 0.00 55.06 52.33 1d6t s HIS 23 Cb -0.04 -2.40 -0.07 0.00 -1.43 0.00 0.00 32.58 28.65 1d6t s HIS 23 CO 0.72 -0.86 0.55 -1.54 -2.00 0.00 0.00 174.74 171.60 1d6t s SER 24 N 1.31 6.96 0.10 7.38 1.04 -1.26 -2.88 113.70 126.35 1d6t s SER 24 Ca -0.01 1.17 0.06 0.00 0.48 0.00 0.00 55.95 57.65 1d6t s SER 24 Cb -0.20 -2.33 -0.03 0.00 0.10 0.00 0.00 66.02 63.56 1d6t s SER 24 CO -0.03 0.22 -0.16 0.68 0.98 0.00 0.00 173.24 174.93 1d6t s VAL 25 N -1.22 1.36 -0.02 5.02 -7.23 -0.97 -4.96 120.40 112.38 1d6t s VAL 25 Ca 0.31 -1.52 -0.01 0.00 -1.81 0.00 0.00 61.98 58.95 1d6t s VAL 25 Cb -0.18 -1.37 0.01 0.00 0.56 0.00 0.00 36.38 35.40 1d6t s VAL 25 CO 0.18 -0.25 0.04 0.00 -0.31 0.00 0.00 175.10 174.77 1d6t s ALA 26 N -1.56 -0.09 0.00 1.32 0.00 -1.26 0.88 121.76 121.05 1d6t s ALA 26 Ca 0.04 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.14 1d6t s ALA 26 Cb -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1d6t s ALA 26 CO 0.03 -0.03 0.00 0.27 0.00 0.00 0.00 175.76 176.03 1d6t n ASN 27 N 3.15 0.00 0.00 0.00 0.23 0.43 -4.94 115.26 114.13 1d6t n ASN 27 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.92 1d6t n ASN 27 Cb 0.59 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.29 1d6t n ASN 27 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1d6t n ARG 28 N -0.84 0.00 0.00 -3.83 0.63 -1.26 -4.90 116.66 106.47 1d6t n ARG 28 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1d6t n ARG 28 Cb 0.00 -0.44 0.00 0.00 0.45 0.00 0.00 32.46 32.47 1d6t n ARG 28 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1d6t n GLN 29 N -2.91 0.00 -4.43 -0.14 0.00 -1.26 -4.98 117.38 103.67 1d6t n GLN 29 Ca 0.00 -0.49 -0.21 0.00 0.00 0.00 0.00 57.00 56.30 1d6t n GLN 29 Cb 0.42 -0.50 -0.15 0.00 0.00 0.00 0.00 30.24 30.01 1d6t n GLN 29 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 1d6t s PHE 30 N 0.00 1.00 0.09 2.61 5.36 -1.26 -0.80 117.98 124.99 1d6t s PHE 30 Ca 0.00 -0.25 0.08 0.00 -0.96 0.00 0.00 56.93 55.81 1d6t s PHE 30 Cb 0.00 -0.71 -0.03 0.00 -0.34 0.00 0.00 43.02 41.94 1d6t s PHE 30 CO 0.00 -0.10 -0.22 0.14 -1.46 0.00 0.00 175.22 173.58 1d6t s VAL 31 N 0.14 1.79 -0.17 3.12 -7.23 -0.42 -0.42 120.40 117.21 1d6t s VAL 31 Ca -0.03 -1.50 -0.01 0.00 -1.81 0.00 0.00 61.98 58.63 1d6t s VAL 31 Cb -0.08 -1.61 0.05 0.00 0.56 0.00 0.00 36.38 35.30 1d6t s VAL 31 CO 0.00 0.02 -0.02 0.68 -0.31 0.00 0.00 175.10 175.48 1d6t s VAL 32 N -1.07 0.92 -0.29 1.32 -7.23 0.25 0.14 120.40 114.45 1d6t s VAL 32 Ca 0.08 -0.61 -0.23 0.00 -1.81 0.00 0.00 61.98 59.41 1d6t s VAL 32 Cb -0.10 -1.20 -0.00 0.00 0.56 0.00 0.00 36.38 35.63 1d6t s VAL 32 CO 0.04 0.01 0.75 -0.31 -0.31 0.00 0.00 175.10 175.28 1d6t s TYR 33 N 1.70 3.23 0.04 2.82 1.51 0.24 -2.30 117.35 124.60 1d6t s TYR 33 Ca -0.00 0.84 -0.03 0.00 -1.01 0.00 0.00 57.07 56.87 1d6t s TYR 33 Cb -0.16 -3.11 -0.02 0.00 -0.11 0.00 0.00 41.96 38.56 1d6t s TYR 33 CO -0.07 -0.49 0.03 0.95 -1.11 0.00 0.00 175.55 174.85 1d6t s THR 34 N 2.83 0.15 0.00 -0.71 -4.23 -1.14 -2.24 115.64 110.31 1d6t s THR 34 Ca 0.31 -1.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 1d6t s THR 34 Cb -0.15 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.77 1d6t s THR 34 CO 0.11 -0.69 0.00 0.00 -0.54 0.00 0.00 174.62 173.50 1d6t n ASN 36 N 0.00 0.24 0.06 0.00 4.13 -1.26 -4.43 115.26 114.01 1d6t n ASN 36 Ca 0.00 0.15 0.00 0.00 1.68 0.00 0.00 54.58 56.41 1d6t n ASN 36 Cb 0.00 -0.79 0.00 0.00 -1.54 0.00 0.00 39.78 37.45 1d6t n ASN 36 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1d6t n ASN 37 N 9.03 -0.06 -0.11 6.41 5.15 -1.26 -2.31 115.26 132.11 1d6t n ASN 37 Ca 0.57 0.21 -0.11 0.00 -0.60 0.00 0.00 54.58 54.65 1d6t n ASN 37 Cb 0.03 0.17 0.02 0.00 -0.53 0.00 0.00 39.78 39.47 1d6t n ASN 37 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1d6t h LYS 38 N 0.00 0.88 -1.49 1.20 3.64 -1.89 -2.86 116.57 116.05 1d6t h LYS 38 Ca 0.00 -0.41 -0.34 0.00 -1.27 0.00 0.00 60.65 58.63 1d6t h LYS 38 Cb 0.02 -0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 31.69 1d6t h LYS 38 CO 0.00 1.06 0.44 -0.85 -2.27 0.00 0.00 179.45 177.83 1d6t n GLU 39 N -4.08 1.84 0.00 1.90 0.28 -1.26 -4.80 120.64 114.52 1d6t n GLU 39 Ca -0.01 -1.64 0.00 0.00 -0.16 0.00 0.00 57.16 55.35 1d6t n GLU 39 Cb 0.49 -1.64 0.00 0.00 1.43 0.00 0.00 31.44 31.72 1d6t n GLU 39 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 1d6t n ILE 40 N 0.27 0.00 0.00 3.84 0.13 -1.08 -5.04 119.36 117.48 1d6t n ILE 40 Ca 0.31 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.96 1d6t n ILE 40 Cb 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.39 1d6t n ILE 40 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 1d6t n ASP 41 N 0.00 0.00 -4.01 9.51 5.75 -1.24 -4.99 116.55 121.57 1d6t n ASP 41 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.47 1d6t n ASP 41 Cb 0.00 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 39.93 1d6t n ASP 41 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1d6t s HIS 42 N 0.00 2.45 0.00 2.11 -3.43 -1.26 -3.81 115.29 111.34 1d6t s HIS 42 Ca 0.00 -1.57 0.00 0.00 -0.80 0.00 0.00 55.06 52.69 1d6t s HIS 42 Cb 0.00 -1.67 0.00 0.00 -1.43 0.00 0.00 32.58 29.48 1d6t s HIS 42 CO 0.00 -0.74 0.00 1.97 -2.00 0.00 0.00 174.74 173.97 1d6t n PHE 43 N 4.68 -1.25 0.00 0.38 -1.74 -1.26 -4.62 117.46 113.65 1d6t n PHE 43 Ca -0.16 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.73 1d6t n PHE 43 Cb 0.47 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.47 1d6t n PHE 43 CO 0.00 0.00 0.00 2.89 -0.56 0.00 0.00 176.76 179.09 1d6t n ARG 44 N -1.01 0.00 -3.81 3.97 0.00 -1.26 -4.38 116.66 110.17 1d6t n ARG 44 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.48 1d6t n ARG 44 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 32.46 32.40 1d6t n ARG 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1d6t s LEU 45 N 0.00 4.37 0.00 2.89 1.43 -1.01 -1.41 118.68 124.95 1d6t s LEU 45 Ca 0.00 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 1d6t s LEU 45 Cb 0.00 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1d6t s LEU 45 CO 0.00 0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.55 1d6t n GLY 46 N 2.20 0.00 0.73 -3.19 0.00 -1.18 -3.97 105.19 99.78 1d6t n GLY 46 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1d6t n GLY 46 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1d6t n ILE 47 N -2.61 -2.97 -3.76 -0.61 5.41 -1.26 -5.02 119.36 108.53 1d6t n ILE 47 Ca 0.00 1.10 -0.13 0.00 1.00 0.00 0.00 62.75 64.72 1d6t n ILE 47 Cb 0.32 -1.55 -0.11 0.00 -0.71 0.00 0.00 39.64 37.59 1d6t n ILE 47 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1d6t s SER 48 N -2.55 -0.32 0.08 4.38 0.01 -1.07 -4.95 113.70 109.28 1d6t s SER 48 Ca 0.00 0.61 -0.08 0.00 1.31 0.00 0.00 55.95 57.78 1d6t s SER 48 Cb 0.00 0.63 -0.00 0.00 0.21 0.00 0.00 66.02 66.86 1d6t s SER 48 CO 0.00 -0.14 0.18 -0.69 0.41 0.00 0.00 173.24 173.00 1d6t s VAL 49 N 0.06 0.14 0.37 3.43 1.01 -1.26 -1.51 120.40 122.64 1d6t s VAL 49 Ca -0.01 -1.18 -0.00 0.00 0.00 0.00 0.00 61.98 60.78 1d6t s VAL 49 Cb -0.02 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1d6t s VAL 49 CO 0.01 -0.65 0.58 -0.55 0.00 0.00 0.00 175.10 174.49 1d6t s SER 50 N -2.80 6.27 0.00 3.32 0.15 -1.26 -4.97 113.70 114.41 1d6t s SER 50 Ca 0.04 0.51 0.21 0.00 0.70 0.00 0.00 55.95 57.41 1d6t s SER 50 Cb 0.05 -2.04 0.29 0.00 -1.71 0.00 0.00 66.02 62.60 1d6t s SER 50 CO -0.10 -0.35 1.26 0.29 1.20 0.00 0.00 173.24 175.54 1d6t n LYS 51 N -1.86 2.18 -0.00 5.44 4.76 -1.26 -4.04 118.16 123.37 1d6t n LYS 51 Ca -0.04 -1.99 0.10 0.00 -2.87 0.00 0.00 58.31 53.51 1d6t n LYS 51 Cb 0.56 -1.44 -0.14 0.00 -1.84 0.00 0.00 35.03 32.17 1d6t n LYS 51 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1d6t n LYS 52 N 1.26 0.34 -0.03 1.97 5.02 -1.26 -4.55 118.16 120.91 1d6t n LYS 52 Ca 0.15 -0.10 -0.02 0.00 -2.02 0.00 0.00 58.31 56.33 1d6t n LYS 52 Cb 0.55 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.04 1d6t n LYS 52 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1d6t h LEU 53 N 0.00 -0.27 0.00 -0.35 3.38 -1.88 -3.48 115.31 112.70 1d6t h LEU 53 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1d6t h LEU 53 Cb 0.74 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1d6t h LEU 53 CO 0.00 -0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.09 1d6t n GLY 54 N -1.05 -0.30 1.73 0.83 0.00 -1.26 -4.94 105.19 100.20 1d6t n GLY 54 Ca -0.00 0.62 -0.11 0.00 0.00 0.00 0.00 46.02 46.53 1d6t n GLY 54 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1d6t n ASN 55 N 0.00 0.50 0.08 1.61 3.02 -1.26 -5.01 115.26 114.20 1d6t n ASN 55 Ca 0.00 -1.45 0.06 0.00 -0.03 0.00 0.00 54.58 53.16 1d6t n ASN 55 Cb 0.00 -0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 1d6t n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1d6t h ALA 56 N -0.78 0.60 0.00 5.41 0.00 -2.00 -3.13 119.26 119.36 1d6t h ALA 56 Ca -0.16 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1d6t h ALA 56 Cb 0.54 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1d6t h ALA 56 CO 0.15 0.42 -0.05 -0.24 0.00 0.00 0.00 179.25 179.54 1d6t h VAL 57 N 0.00 0.96 0.14 0.00 3.04 -1.98 0.48 116.25 118.89 1d6t h VAL 57 Ca -0.07 -0.18 -0.36 0.00 -1.01 0.00 0.00 66.70 65.08 1d6t h VAL 57 Cb 1.27 1.10 -0.01 0.00 -2.01 0.00 0.00 31.29 31.64 1d6t h VAL 57 CO 0.02 0.05 -1.89 0.17 -1.01 0.00 0.00 177.57 174.91 1d6t h LEU 58 N 0.00 0.48 0.00 3.16 8.10 -1.91 -3.21 115.31 121.93 1d6t h LEU 58 Ca -0.00 -0.91 0.00 0.00 0.11 0.00 0.00 57.88 57.08 1d6t h LEU 58 Cb 0.10 -0.16 0.00 0.00 -0.44 0.00 0.00 40.66 40.16 1d6t h LEU 58 CO 0.01 1.80 0.00 -2.11 -4.11 0.00 0.00 178.44 174.03 1d6t n ARG 59 N -3.51 0.31 -0.05 0.17 -4.01 -0.83 -1.80 116.66 106.94 1d6t n ARG 59 Ca -0.28 0.09 -0.14 0.00 -1.04 0.00 0.00 57.85 56.47 1d6t n ARG 59 Cb 1.06 -1.50 -0.14 0.00 -3.04 0.00 0.00 32.46 28.84 1d6t n ARG 59 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 1d6t n ASN 60 N -1.27 1.25 0.06 2.89 3.02 0.16 -3.60 115.26 117.78 1d6t n ASN 60 Ca 0.10 0.17 -0.14 0.00 -0.03 0.00 0.00 54.58 54.68 1d6t n ASN 60 Cb 0.15 -0.13 -0.04 0.00 -0.61 0.00 0.00 39.78 39.15 1d6t n ASN 60 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1d6t h LYS 61 N 0.02 0.44 -0.19 3.52 3.64 -1.46 1.58 116.57 124.11 1d6t h LYS 61 Ca -0.44 -0.46 -0.05 0.00 -1.27 0.00 0.00 60.65 58.44 1d6t h LYS 61 Cb 2.05 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.98 1d6t h LYS 61 CO 0.04 1.12 -0.09 0.82 -2.27 0.00 0.00 179.45 179.06 1d6t h ILE 62 N 0.25 1.18 0.02 2.00 2.04 -1.53 -0.42 117.51 121.06 1d6t h ILE 62 Ca -0.08 -0.76 -0.30 0.00 1.00 0.00 0.00 64.86 64.73 1d6t h ILE 62 Cb 1.56 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.74 1d6t h ILE 62 CO 0.16 0.24 -1.64 1.17 0.00 0.00 0.00 178.15 178.08 1d6t n LYS 63 N -4.28 0.60 0.01 2.37 4.81 -1.16 -3.51 118.16 117.00 1d6t n LYS 63 Ca -0.00 0.46 -0.02 0.00 -0.87 0.00 0.00 58.31 57.87 1d6t n LYS 63 Cb 0.26 -1.69 -0.01 0.00 0.02 0.00 0.00 35.03 33.60 1d6t n LYS 63 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1d6t h ARG 64 N -0.79 -0.10 -0.43 1.64 2.43 0.23 0.32 114.38 117.68 1d6t h ARG 64 Ca -0.43 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 58.87 1d6t h ARG 64 Cb 1.50 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 31.05 1d6t h ARG 64 CO -0.20 -0.07 0.47 0.00 -1.51 0.00 0.00 179.97 178.67 1d6t h ALA 65 N -1.37 2.15 -0.47 2.80 0.00 -1.25 0.79 119.26 121.90 1d6t h ALA 65 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1d6t h ALA 65 Cb 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1d6t h ALA 65 CO -0.05 -0.70 -0.22 0.82 0.00 0.00 0.00 179.25 179.11 1d6t h ILE 66 N 0.00 1.27 -0.16 0.00 5.03 -0.86 -0.62 117.51 122.17 1d6t h ILE 66 Ca 0.21 -1.38 0.00 0.00 -0.12 0.00 0.00 64.86 63.57 1d6t h ILE 66 Cb 1.15 1.13 0.00 0.00 -3.03 0.00 0.00 36.82 36.07 1d6t h ILE 66 CO -0.00 0.47 0.00 -1.14 -0.68 0.00 0.00 178.15 176.80 1d6t n ARG 67 N -4.11 1.74 0.00 2.37 0.63 0.25 -2.70 116.66 114.84 1d6t n ARG 67 Ca 0.00 -1.11 0.04 0.00 -0.92 0.00 0.00 57.85 55.86 1d6t n ARG 67 Cb 0.46 -1.40 -0.00 0.00 0.45 0.00 0.00 32.46 31.97 1d6t n ARG 67 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1d6t n GLU 68 N 0.34 2.18 0.00 -0.14 -0.58 0.00 -4.19 120.64 118.25 1d6t n GLU 68 Ca 0.16 -0.55 0.00 0.00 -0.42 0.00 0.00 57.16 56.35 1d6t n GLU 68 Cb 0.34 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 1d6t n GLU 68 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1d6t n ASN 69 N -0.29 0.58 -0.10 1.62 5.15 -0.29 -4.65 115.26 117.28 1d6t n ASN 69 Ca 0.04 -0.79 -0.13 0.00 -0.60 0.00 0.00 54.58 53.10 1d6t n ASN 69 Cb 0.18 0.38 -0.15 0.00 -0.53 0.00 0.00 39.78 39.67 1d6t n ASN 69 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1d6t n PHE 70 N -0.38 0.13 0.21 1.20 3.72 -1.10 -3.70 117.46 117.55 1d6t n PHE 70 Ca 0.00 0.04 0.18 0.00 -0.05 0.00 0.00 57.45 57.62 1d6t n PHE 70 Cb 0.01 -1.02 0.79 0.00 -0.94 0.00 0.00 39.48 38.31 1d6t n PHE 70 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1d6t h LYS 71 N 0.00 0.00 0.10 -1.08 1.57 -1.83 1.55 116.57 116.88 1d6t h LYS 71 Ca -0.53 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 57.88 1d6t h LYS 71 Cb 2.12 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.40 1d6t h LYS 71 CO 0.00 0.00 -2.06 1.33 -0.57 0.00 0.00 179.45 178.15 1d6t n VAL 72 N -3.33 1.72 0.62 0.50 0.24 -1.26 -3.92 118.33 112.90 1d6t n VAL 72 Ca 0.03 -0.65 0.11 0.00 -2.04 0.00 0.00 64.34 61.78 1d6t n VAL 72 Cb 0.49 -1.62 0.45 0.00 -1.47 0.00 0.00 33.84 31.69 1d6t n VAL 72 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1d6t n HIS 73 N -3.41 0.44 1.04 6.34 8.25 0.88 -2.12 115.22 126.64 1d6t n HIS 73 Ca -0.33 0.15 0.11 0.00 -0.26 0.00 0.00 57.72 57.39 1d6t n HIS 73 Cb 1.04 -0.74 0.57 0.00 1.12 0.00 0.00 29.99 31.97 1d6t n HIS 73 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1d6t n LYS 74 N -1.88 0.26 0.00 -0.41 0.00 0.49 -0.09 118.16 116.54 1d6t n LYS 74 Ca 0.04 0.08 0.11 0.00 0.00 0.00 0.00 58.31 58.54 1d6t n LYS 74 Cb 0.29 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.82 1d6t n LYS 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1d6t n SER 75 N -1.33 0.74 -0.30 3.14 7.64 -0.90 -4.15 113.62 118.46 1d6t n SER 75 Ca 0.10 -0.59 0.02 0.00 1.01 0.00 0.00 58.87 59.41 1d6t n SER 75 Cb 0.20 0.82 0.03 0.00 -1.01 0.00 0.00 64.21 64.25 1d6t n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1d6t n HIS 76 N -1.64 0.00 -2.82 1.43 1.44 -0.83 -5.07 115.22 107.74 1d6t n HIS 76 Ca 0.04 -0.25 -0.38 0.00 -2.01 0.00 0.00 57.72 55.11 1d6t n HIS 76 Cb 0.37 -0.06 -0.06 0.00 0.12 0.00 0.00 29.99 30.35 1d6t n HIS 76 CO 0.00 0.00 0.00 -1.50 -2.81 0.00 0.00 176.34 172.03 1d6t s ILE 77 N -0.70 4.21 0.16 0.61 1.10 0.87 -2.27 121.20 125.19 1d6t s ILE 77 Ca 0.07 1.85 0.08 0.00 -0.51 0.00 0.00 60.65 62.14 1d6t s ILE 77 Cb 0.06 -4.11 -0.04 0.00 0.15 0.00 0.00 42.46 38.51 1d6t s ILE 77 CO 0.01 0.30 -0.16 -1.48 -2.11 0.00 0.00 174.94 171.50 1d6t s LEU 78 N -1.67 2.46 -0.48 8.50 -0.00 -1.24 -4.95 118.68 121.30 1d6t s LEU 78 Ca 0.45 -0.89 -0.44 0.00 -0.00 0.00 0.00 54.13 53.25 1d6t s LEU 78 Cb -0.21 -0.72 -0.19 0.00 -0.00 0.00 0.00 46.19 45.07 1d6t s LEU 78 CO 0.26 -0.10 1.81 0.00 -0.00 0.00 0.00 176.35 178.33 1d6t n ALA 79 N 0.16 -0.52 0.00 1.48 0.00 -1.25 -4.40 120.51 115.99 1d6t n ALA 79 Ca -0.12 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1d6t n ALA 79 Cb 0.58 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1d6t n ALA 79 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1d6t n LYS 80 N 5.61 0.00 -1.08 0.00 4.81 -1.17 -4.51 118.16 121.81 1d6t n LYS 80 Ca 0.42 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.60 1d6t n LYS 80 Cb -0.05 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 34.88 1d6t n LYS 80 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1d6t n ASP 81 N 0.00 -0.18 -4.57 3.14 -0.08 -0.98 -4.44 116.55 109.45 1d6t n ASP 81 Ca 0.00 -0.03 -0.42 0.00 -1.51 0.00 0.00 54.79 52.83 1d6t n ASP 81 Cb 0.00 -0.58 -0.05 0.00 2.34 0.00 0.00 41.12 42.83 1d6t n ASP 81 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1d6t s ILE 82 N 4.52 4.72 -0.30 5.18 1.10 -0.50 -3.48 121.20 132.43 1d6t s ILE 82 Ca 0.97 0.74 -0.03 0.00 -0.51 0.00 0.00 60.65 61.82 1d6t s ILE 82 Cb -0.82 -4.23 0.11 0.00 0.15 0.00 0.00 42.46 37.67 1d6t s ILE 82 CO 0.37 -0.50 0.16 -0.63 -2.11 0.00 0.00 174.94 172.23 1d6t s ILE 83 N 3.12 -0.06 -0.35 2.00 1.01 -0.95 -3.09 121.20 122.89 1d6t s ILE 83 Ca 0.30 -0.90 -0.20 0.00 0.00 0.00 0.00 60.65 59.85 1d6t s ILE 83 Cb -0.13 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.34 1d6t s ILE 83 CO 0.18 -0.76 0.63 0.68 0.00 0.00 0.00 174.94 175.68 1d6t s VAL 84 N 1.94 4.90 0.06 2.92 -7.23 -1.26 0.82 120.40 122.55 1d6t s VAL 84 Ca 0.11 0.58 0.01 0.00 -1.81 0.00 0.00 61.98 60.87 1d6t s VAL 84 Cb -0.17 -4.07 -0.04 0.00 0.56 0.00 0.00 36.38 32.66 1d6t s VAL 84 CO -0.30 -0.30 0.15 -0.63 -0.31 0.00 0.00 175.10 173.70 1d6t s ILE 85 N 2.69 5.01 -0.30 -0.62 1.09 0.36 -2.58 121.20 126.86 1d6t s ILE 85 Ca 0.24 -0.52 -0.16 0.00 -1.10 0.00 0.00 60.65 59.11 1d6t s ILE 85 Cb -0.15 -3.41 -0.02 0.00 -1.06 0.00 0.00 42.46 37.82 1d6t s ILE 85 CO 0.15 0.17 0.43 0.00 -0.10 0.00 0.00 174.94 175.59 1d6t s ALA 86 N -1.42 3.54 0.64 9.38 0.00 -0.57 -1.30 121.76 132.03 1d6t s ALA 86 Ca 0.31 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1d6t s ALA 86 Cb -0.13 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1d6t s ALA 86 CO 0.24 -0.86 0.00 -2.13 0.00 0.00 0.00 175.76 173.01 1d6t n ARG 87 N 5.48 2.40 -0.07 0.00 3.00 0.02 -4.36 116.66 123.14 1d6t n ARG 87 Ca -0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.73 1d6t n ARG 87 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.94 1d6t n ARG 87 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1d6t h GLN 88 N 0.00 0.00 0.00 -0.14 4.20 -1.95 -3.35 115.11 113.87 1d6t h GLN 88 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1d6t h GLN 88 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1d6t h GLN 88 CO 0.00 0.11 0.00 -0.35 -0.67 0.00 0.00 178.83 177.92 1d6t n PRO 89 N -4.65 0.75 0.13 1.46 -0.04 -1.26 -3.29 135.00 128.09 1d6t n PRO 89 Ca -0.07 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.49 1d6t n PRO 89 Cb 0.23 -1.17 0.48 0.00 -0.04 0.00 0.00 33.50 32.99 1d6t n PRO 89 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1d6t n ALA 90 N -0.67 1.21 0.11 0.55 0.00 -1.26 -0.11 120.51 120.33 1d6t n ALA 90 Ca 0.06 0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.66 1d6t n ALA 90 Cb 0.03 -1.29 -0.01 0.00 0.00 0.00 0.00 19.45 18.18 1d6t n ALA 90 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1d6t h LYS 91 N 0.00 0.00 -0.00 0.00 -0.00 -1.84 -3.11 116.57 111.63 1d6t h LYS 91 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1d6t h LYS 91 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.33 1d6t h LYS 91 CO 0.00 0.42 -0.04 -0.25 -0.00 0.00 0.00 179.45 179.58 1d6t n ASP 92 N -3.10 0.14 -2.68 7.07 8.00 0.84 -4.84 116.55 121.98 1d6t n ASP 92 Ca -0.02 -0.27 -0.09 0.00 0.71 0.00 0.00 54.79 55.13 1d6t n ASP 92 Cb 0.76 -0.21 0.07 0.00 -0.02 0.00 0.00 41.12 41.71 1d6t n ASP 92 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1d6t n MET 93 N -1.20 -1.01 -3.56 -1.24 2.81 -1.15 -5.11 117.12 106.66 1d6t n MET 93 Ca 0.14 -0.55 -0.11 0.00 -1.81 0.00 0.00 57.70 55.37 1d6t n MET 93 Cb 0.25 -0.44 -0.03 0.00 -0.71 0.00 0.00 33.22 32.29 1d6t n MET 93 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1d6t s THR 94 N -1.71 0.03 0.39 2.03 -4.23 -1.26 -4.97 115.64 105.92 1d6t s THR 94 Ca 0.21 -0.37 0.15 0.00 -1.18 0.00 0.00 61.69 60.50 1d6t s THR 94 Cb -0.01 -1.18 0.15 0.00 1.34 0.00 0.00 72.50 72.80 1d6t s THR 94 CO 0.16 -0.14 1.41 0.74 -0.54 0.00 0.00 174.62 176.24 1d6t h THR 95 N 2.17 0.00 0.09 3.99 2.02 -1.99 0.93 112.91 120.12 1d6t h THR 95 Ca -0.33 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 66.67 1d6t h THR 95 Cb 1.28 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1d6t h THR 95 CO 0.41 0.00 -0.90 0.25 0.37 0.00 0.00 175.52 175.65 1d6t h LEU 96 N 0.00 0.30 -0.20 2.58 7.12 -1.97 -3.35 115.31 119.79 1d6t h LEU 96 Ca 0.00 -0.88 -0.19 0.00 0.13 0.00 0.00 57.88 56.93 1d6t h LEU 96 Cb 0.96 -0.10 0.01 0.00 -0.53 0.00 0.00 40.66 41.00 1d6t h LEU 96 CO 0.00 1.40 -0.63 1.56 -0.13 0.00 0.00 178.44 180.64 1d6t h GLN 97 N -0.54 0.78 -0.86 1.25 4.20 0.16 -2.92 115.11 117.18 1d6t h GLN 97 Ca -0.19 -0.57 0.25 0.00 0.06 0.00 0.00 58.65 58.20 1d6t h GLN 97 Cb 1.52 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 29.36 1d6t h GLN 97 CO 0.05 1.19 0.94 0.82 -0.67 0.00 0.00 178.83 181.17 1d6t h ILE 98 N 0.52 0.14 0.10 2.54 5.03 0.05 1.14 117.51 127.03 1d6t h ILE 98 Ca -0.02 0.00 -0.30 0.00 -0.12 0.00 0.00 64.86 64.41 1d6t h ILE 98 Cb 1.25 0.25 -0.01 0.00 -3.03 0.00 0.00 36.82 35.27 1d6t h ILE 98 CO 0.13 0.00 -1.61 1.56 -0.68 0.00 0.00 178.15 177.55 1d6t h GLN 99 N 0.00 0.22 0.00 2.37 1.08 -1.65 -3.07 115.11 114.06 1d6t h GLN 99 Ca 0.41 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1d6t h GLN 99 Cb 2.29 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 29.86 1d6t h GLN 99 CO -0.00 1.18 0.00 0.09 -0.95 0.00 0.00 178.83 179.14 1d6t n ASN 100 N -3.84 0.00 -0.02 1.46 3.02 0.34 -1.85 115.26 114.37 1d6t n ASN 100 Ca -0.29 0.48 -0.01 0.00 -0.03 0.00 0.00 54.58 54.73 1d6t n ASN 100 Cb 0.92 -0.49 -0.00 0.00 -0.61 0.00 0.00 39.78 39.60 1d6t n ASN 100 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1d6t h SER 101 N 0.00 0.00 -0.88 6.41 0.02 -0.12 -3.37 113.55 115.61 1d6t h SER 101 Ca 0.00 0.00 0.23 0.00 -0.84 0.00 0.00 61.79 61.18 1d6t h SER 101 Cb 0.17 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.57 1d6t h SER 101 CO 0.00 0.22 0.21 -0.07 -1.14 0.00 0.00 176.83 176.05 1d6t h LEU 102 N -0.30 -0.05 -1.75 5.07 3.38 -1.50 1.77 115.31 121.92 1d6t h LEU 102 Ca 0.00 0.20 0.26 0.00 0.09 0.00 0.00 57.88 58.43 1d6t h LEU 102 Cb 0.15 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1d6t h LEU 102 CO 0.00 -0.17 0.83 1.05 0.09 0.00 0.00 178.44 180.23 1d6t h GLU 103 N 0.18 0.00 0.00 1.13 4.11 -1.56 0.15 114.58 118.60 1d6t h GLU 103 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.98 1d6t h GLU 103 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1d6t h GLU 103 CO -0.67 0.00 0.00 1.58 0.07 0.00 0.00 179.01 179.99 1d6t n HIS 104 N -3.75 0.00 -0.33 2.06 -0.00 0.55 -3.93 115.22 109.82 1d6t n HIS 104 Ca 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.90 1d6t n HIS 104 Cb 1.13 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 31.14 1d6t n HIS 104 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 1d6t n VAL 105 N -1.75 -0.46 -0.13 3.57 3.14 0.18 0.20 118.33 123.08 1d6t n VAL 105 Ca 0.00 1.98 -0.09 0.00 -2.96 0.00 0.00 64.34 63.27 1d6t n VAL 105 Cb 0.00 -2.60 -0.01 0.00 -1.06 0.00 0.00 33.84 30.17 1d6t n VAL 105 CO 0.00 0.00 0.00 0.17 -6.46 0.00 0.00 176.83 170.54 1d6t h LEU 106 N 0.00 0.52 -1.78 6.55 8.10 -0.85 -1.11 115.31 126.74 1d6t h LEU 106 Ca 0.28 -0.16 0.19 0.00 0.11 0.00 0.00 57.88 58.29 1d6t h LEU 106 Cb 0.49 -0.14 -0.03 0.00 -0.44 0.00 0.00 40.66 40.55 1d6t h LEU 106 CO -0.83 0.54 0.67 0.50 -4.11 0.00 0.00 178.44 175.21 1d6t h LYS 107 N 0.47 0.00 0.17 0.17 3.11 0.33 0.88 116.57 121.71 1d6t h LYS 107 Ca 0.13 0.00 -0.35 0.00 -2.81 0.00 0.00 60.65 57.62 1d6t h LYS 107 Cb 0.18 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.42 1d6t h LYS 107 CO -0.01 0.00 -1.73 0.82 -2.81 0.00 0.00 179.45 175.72 1d6t h ILE 108 N 0.00 0.96 -1.00 2.00 2.04 0.58 -3.32 117.51 118.77 1d6t h ILE 108 Ca 0.31 -2.55 0.14 0.00 1.00 0.00 0.00 64.86 63.76 1d6t h ILE 108 Cb 1.64 2.75 -0.09 0.00 -0.74 0.00 0.00 36.82 40.38 1d6t h ILE 108 CO -0.00 0.85 0.63 0.00 0.00 0.00 0.00 178.15 179.62 1d6t h ALA 109 N 0.18 1.58 -0.14 1.87 0.00 0.17 -3.46 119.26 119.47 1d6t h ALA 109 Ca -0.33 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1d6t h ALA 109 Cb 2.09 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1d6t h ALA 109 CO 0.17 0.14 0.00 1.17 0.00 0.00 0.00 179.25 180.73 1d6t n LYS 110 N -4.65 0.00 -0.42 0.00 4.81 -0.37 -4.83 118.16 112.70 1d6t n LYS 110 Ca 0.20 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.66 1d6t n LYS 110 Cb 0.42 -2.85 0.17 0.00 0.02 0.00 0.00 35.03 32.79 1d6t n LYS 110 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1d6t n VAL 111 N -3.33 1.32 -3.65 3.15 0.24 -1.26 -4.79 118.33 110.02 1d6t n VAL 111 Ca 0.00 -0.65 -0.12 0.00 -2.04 0.00 0.00 64.34 61.53 1d6t n VAL 111 Cb 0.43 -0.44 -0.08 0.00 -1.47 0.00 0.00 33.84 32.29 1d6t n VAL 111 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 1d6t s PHE 112 N -1.76 -0.79 -0.16 6.34 -0.71 -1.26 -3.62 117.98 116.02 1d6t s PHE 112 Ca 0.25 1.82 -0.04 0.00 -1.04 0.00 0.00 56.93 57.91 1d6t s PHE 112 Cb 0.19 0.33 -0.24 0.00 -1.21 0.00 0.00 43.02 42.09 1d6t s PHE 112 CO 0.07 -0.38 0.21 0.09 -1.34 0.00 0.00 175.22 173.86 1d6t n ASN 113 N 3.11 2.08 0.28 1.98 3.02 -0.96 -3.95 115.26 120.82 1d6t n ASN 113 Ca -0.16 0.12 0.06 0.00 -0.03 0.00 0.00 54.58 54.57 1d6t n ASN 113 Cb 0.56 -0.73 0.32 0.00 -0.61 0.00 0.00 39.78 39.32 1d6t n ASN 113 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1d6t h LYS 114 N 0.05 0.00 -6.91 3.52 3.11 -1.97 -3.43 116.57 110.93 1d6t h LYS 114 Ca -0.47 0.00 -0.59 0.00 -2.81 0.00 0.00 60.65 56.78 1d6t h LYS 114 Cb 2.00 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 33.22 1d6t h LYS 114 CO 0.04 0.00 -1.01 0.36 -2.81 0.00 0.00 179.45 176.03 1d6t n LYS 115 N -2.45 -0.29 -1.28 1.90 2.85 -1.25 -4.72 118.16 112.91 1d6t n LYS 115 Ca -0.01 0.10 -0.42 0.00 -1.05 0.00 0.00 58.31 56.93 1d6t n LYS 115 Cb 0.66 -2.56 -0.01 0.00 -0.65 0.00 0.00 35.03 32.46 1d6t n LYS 115 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1d6t n ILE 116 N -4.99 0.82 -0.01 0.58 -0.00 -1.26 -5.19 119.36 109.31 1d6t n ILE 116 Ca -0.11 -0.49 0.00 0.00 -0.00 0.00 0.00 62.75 62.15 1d6t n ILE 116 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.21 1d6t n ILE 116 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72