#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 -3.64 4.03 4.77 -1.26 -5.18 117.00 115.73 1d6t n LEU 2 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1d6t n LEU 2 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1d6t n LEU 2 CO 0.00 0.00 1.02 -0.22 -1.33 0.00 0.00 177.39 176.86 1d6t s LEU 3 N 0.00 -0.17 0.00 2.23 1.98 -1.26 -5.16 118.68 116.30 1d6t s LEU 3 Ca 0.00 0.29 0.00 0.00 -2.89 0.00 0.00 54.13 51.53 1d6t s LEU 3 Cb 0.00 1.36 0.00 0.00 0.66 0.00 0.00 46.19 48.21 1d6t s LEU 3 CO 0.00 -0.09 0.00 1.21 -1.89 0.00 0.00 176.35 175.58 1d6t n GLU 4 N 1.36 0.00 0.00 1.98 2.13 -1.26 -4.98 120.64 119.87 1d6t n GLU 4 Ca -0.08 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.79 1d6t n GLU 4 Cb 0.57 0.00 0.29 0.00 0.27 0.00 0.00 31.44 32.57 1d6t n GLU 4 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1d6t n LYS 5 N 0.00 0.20 0.23 5.31 2.85 -1.26 -2.03 118.16 123.46 1d6t n LYS 5 Ca 0.00 0.15 0.16 0.00 -1.05 0.00 0.00 58.31 57.56 1d6t n LYS 5 Cb 0.00 -1.50 0.79 0.00 -0.65 0.00 0.00 35.03 33.67 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 2.56 1.00 0.00 0.58 0.00 -2.00 -1.91 119.26 119.50 1d6t h ALA 6 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1d6t h ALA 6 Cb 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.76 1d6t h ALA 6 CO 0.00 0.00 -0.57 0.66 0.00 0.00 0.00 179.25 179.34 1d6t n TYR 7 N -2.64 0.00 -3.14 0.00 4.02 -0.86 -5.04 117.16 109.50 1d6t n TYR 7 Ca -0.01 -0.57 -0.40 0.00 -0.01 0.00 0.00 57.90 56.91 1d6t n TYR 7 Cb 0.12 -0.13 -0.06 0.00 -0.02 0.00 0.00 39.34 39.24 1d6t n TYR 7 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1d6t s ARG 8 N -1.03 4.15 -1.08 -0.72 1.81 -0.72 -3.60 118.95 117.76 1d6t s ARG 8 Ca 0.22 0.54 -0.22 0.00 -1.72 0.00 0.00 55.73 54.55 1d6t s ARG 8 Cb 0.23 -3.62 -0.09 0.00 -0.45 0.00 0.00 34.95 31.01 1d6t s ARG 8 CO -0.06 -0.33 1.92 -0.89 -0.68 0.00 0.00 175.30 175.27 1d6t n ILE 9 N 4.97 2.08 -0.06 1.52 2.08 -1.23 -4.32 119.36 124.41 1d6t n ILE 9 Ca -0.02 -2.07 -0.05 0.00 0.56 0.00 0.00 62.75 61.18 1d6t n ILE 9 Cb 0.49 -2.24 -0.10 0.00 -0.75 0.00 0.00 39.64 37.04 1d6t n ILE 9 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1d6t n LYS 10 N 7.87 1.72 -2.99 0.38 5.02 -1.26 -4.75 118.16 124.15 1d6t n LYS 10 Ca 0.47 -0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 56.43 1d6t n LYS 10 Cb 0.45 -1.33 -0.04 0.00 -0.02 0.00 0.00 35.03 34.08 1d6t n LYS 10 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1d6t s LYS 11 N -2.39 3.80 0.26 1.97 3.01 -1.26 -4.98 119.74 120.15 1d6t s LYS 11 Ca -0.06 0.43 0.13 0.00 -1.01 0.00 0.00 55.97 55.45 1d6t s LYS 11 Cb 0.04 -2.44 0.24 0.00 -1.01 0.00 0.00 37.83 34.66 1d6t s LYS 11 CO 0.54 0.04 1.53 -0.97 0.51 0.00 0.00 175.35 177.00 1d6t h ASN 12 N 1.53 0.00 -0.87 2.83 -0.73 -1.99 -3.12 115.58 113.22 1d6t h ASN 12 Ca -0.47 0.00 0.12 0.00 1.87 0.00 0.00 56.30 57.82 1d6t h ASN 12 Cb 1.18 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 39.69 1d6t h ASN 12 CO 0.65 0.63 0.49 0.00 -0.37 0.00 0.00 177.43 178.83 1d6t h ALA 13 N 1.37 1.30 0.00 1.57 0.00 -1.97 1.93 119.26 123.46 1d6t h ALA 13 Ca -0.01 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1d6t h ALA 13 Cb 1.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1d6t h ALA 13 CO 0.08 0.03 -0.18 -0.44 0.00 0.00 0.00 179.25 178.75 1d6t h ASP 14 N 0.75 0.00 0.43 0.00 5.19 -1.96 0.65 116.42 121.49 1d6t h ASP 14 Ca 0.45 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.55 1d6t h ASP 14 Cb 0.53 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.01 1d6t h ASP 14 CO -0.30 0.18 -1.71 -0.26 -3.12 0.00 0.00 179.24 174.02 1d6t h PHE 15 N 0.00 0.18 0.01 4.55 0.04 0.30 -3.37 116.94 118.66 1d6t h PHE 15 Ca -0.00 -0.13 -0.06 0.00 2.80 0.00 0.00 57.97 60.58 1d6t h PHE 15 Cb 0.43 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.57 1d6t h PHE 15 CO 0.00 1.24 -0.22 0.37 -0.60 0.00 0.00 178.31 179.10 1d6t h GLN 16 N 0.03 0.13 -0.95 1.51 4.15 0.31 -2.84 115.11 117.45 1d6t h GLN 16 Ca -0.30 -0.16 0.26 0.00 0.77 0.00 0.00 58.65 59.23 1d6t h GLN 16 Cb 2.00 0.05 -0.18 0.00 0.21 0.00 0.00 27.48 29.57 1d6t h GLN 16 CO 0.10 0.94 0.01 0.54 -1.93 0.00 0.00 178.83 178.49 1d6t n ARG 17 N -4.52 -0.08 0.17 1.69 1.74 0.22 0.90 116.66 116.78 1d6t n ARG 17 Ca -0.10 1.42 -0.11 0.00 -0.77 0.00 0.00 57.85 58.29 1d6t n ARG 17 Cb 0.51 -2.26 -0.07 0.00 -1.02 0.00 0.00 32.46 29.63 1d6t n ARG 17 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1d6t h ILE 18 N 0.00 0.42 -0.28 0.55 2.04 -1.71 -2.96 117.51 115.57 1d6t h ILE 18 Ca 0.57 -0.70 0.08 0.00 1.00 0.00 0.00 64.86 65.82 1d6t h ILE 18 Cb 1.18 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1d6t h ILE 18 CO -0.89 0.09 0.62 1.88 0.00 0.00 0.00 178.15 179.85 1d6t h TYR 19 N -0.98 0.00 0.00 1.37 0.05 -0.26 1.45 116.97 118.60 1d6t h TYR 19 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.73 1d6t h TYR 19 Cb 0.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.26 1d6t h TYR 19 CO 0.03 0.00 0.00 1.17 -1.05 0.00 0.00 178.16 178.31 1d6t n LYS 20 N -3.12 0.00 -0.14 4.88 4.81 0.26 -4.59 118.16 120.26 1d6t n LYS 20 Ca 0.05 0.06 0.01 0.00 -0.87 0.00 0.00 58.31 57.57 1d6t n LYS 20 Cb 0.74 -0.89 0.02 0.00 0.02 0.00 0.00 35.03 34.92 1d6t n LYS 20 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1d6t n LYS 21 N -0.46 0.85 -0.32 1.64 5.02 -1.05 -5.09 118.16 118.76 1d6t n LYS 21 Ca 0.00 -1.15 -0.29 0.00 -2.02 0.00 0.00 58.31 54.85 1d6t n LYS 21 Cb 0.00 -0.76 0.28 0.00 -0.02 0.00 0.00 35.03 34.53 1d6t n LYS 21 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1d6t n GLY 22 N -0.32 -3.33 3.02 0.72 0.00 0.49 -5.01 105.19 100.76 1d6t n GLY 22 Ca 0.02 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.19 2.84 0.29 1.61 -3.43 0.19 -4.92 115.29 109.68 1d6t s HIS 23 Ca 0.66 -2.00 0.01 0.00 -0.80 0.00 0.00 55.06 52.92 1d6t s HIS 23 Cb -0.15 -1.77 -0.04 0.00 -1.43 0.00 0.00 32.58 29.19 1d6t s HIS 23 CO 0.58 -0.82 0.47 -1.54 -2.00 0.00 0.00 174.74 171.43 1d6t s SER 24 N 1.25 6.33 -0.07 7.38 1.04 -1.26 -1.61 113.70 126.77 1d6t s SER 24 Ca -0.06 0.38 -0.03 0.00 0.48 0.00 0.00 55.95 56.72 1d6t s SER 24 Cb -0.19 -2.00 0.04 0.00 0.10 0.00 0.00 66.02 63.98 1d6t s SER 24 CO -0.06 -0.18 0.14 0.68 0.98 0.00 0.00 173.24 174.79 1d6t s VAL 25 N -2.12 -0.15 -0.40 5.02 -7.23 -0.26 -4.91 120.40 110.35 1d6t s VAL 25 Ca 0.39 0.28 -0.07 0.00 -1.81 0.00 0.00 61.98 60.76 1d6t s VAL 25 Cb -0.10 -0.25 0.08 0.00 0.56 0.00 0.00 36.38 36.67 1d6t s VAL 25 CO 0.33 0.11 0.22 0.00 -0.31 0.00 0.00 175.10 175.45 1d6t s ALA 26 N 1.71 3.21 0.00 1.32 0.00 -1.25 0.21 121.76 126.96 1d6t s ALA 26 Ca -0.03 -2.17 0.00 0.00 0.00 0.00 0.00 51.96 49.76 1d6t s ALA 26 Cb -0.12 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.48 1d6t s ALA 26 CO -0.05 -1.63 0.06 0.27 0.00 0.00 0.00 175.76 174.40 1d6t n ASN 27 N 4.82 0.00 0.00 0.00 0.23 0.11 -4.83 115.26 115.59 1d6t n ASN 27 Ca -0.09 0.06 0.00 0.00 -0.53 0.00 0.00 54.58 54.02 1d6t n ASN 27 Cb 0.43 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 1d6t n ASN 27 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1d6t n ARG 28 N -0.08 0.00 0.00 -3.83 5.12 -1.26 -4.88 116.66 111.74 1d6t n ARG 28 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1d6t n ARG 28 Cb 0.00 -0.74 0.00 0.00 -1.16 0.00 0.00 32.46 30.56 1d6t n ARG 28 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1d6t n GLN 29 N -2.47 0.00 -4.33 5.56 3.00 -1.26 -5.01 117.38 112.86 1d6t n GLN 29 Ca 0.00 -0.48 -0.19 0.00 -0.01 0.00 0.00 57.00 56.32 1d6t n GLN 29 Cb 0.39 -0.48 -0.15 0.00 0.00 0.00 0.00 30.24 30.00 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 0.80 -0.10 1.08 5.36 -1.26 -2.26 117.98 121.59 1d6t s PHE 30 Ca 0.00 -0.17 0.00 0.00 -0.96 0.00 0.00 56.93 55.80 1d6t s PHE 30 Cb 0.00 -0.55 -0.02 0.00 -0.34 0.00 0.00 43.02 42.11 1d6t s PHE 30 CO 0.00 -0.05 -0.10 0.14 -1.46 0.00 0.00 175.22 173.75 1d6t s VAL 31 N -0.01 3.34 -0.39 3.12 -7.23 -0.45 0.06 120.40 118.85 1d6t s VAL 31 Ca 0.00 -0.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 1d6t s VAL 31 Cb -0.05 -2.39 0.11 0.00 0.56 0.00 0.00 36.38 34.61 1d6t s VAL 31 CO -0.00 0.55 0.15 -0.69 -0.31 0.00 0.00 175.10 174.80 1d6t s VAL 32 N -0.16 2.88 -0.93 1.32 1.01 0.56 0.21 120.40 125.30 1d6t s VAL 32 Ca 0.01 -2.22 -0.24 0.00 0.00 0.00 0.00 61.98 59.52 1d6t s VAL 32 Cb -0.13 -3.03 0.05 0.00 0.00 0.00 0.00 36.38 33.27 1d6t s VAL 32 CO 0.03 -0.66 1.37 -0.31 0.00 0.00 0.00 175.10 175.53 1d6t s TYR 33 N 0.99 2.50 0.25 5.22 2.02 0.56 -1.10 117.35 127.79 1d6t s TYR 33 Ca 0.10 -0.65 0.10 0.00 -0.37 0.00 0.00 57.07 56.25 1d6t s TYR 33 Cb -0.21 -4.64 -0.04 0.00 -0.40 0.00 0.00 41.96 36.66 1d6t s TYR 33 CO -0.06 -1.94 -0.06 -0.08 -1.57 0.00 0.00 175.55 171.84 1d6t s THR 34 N 5.03 3.23 -0.10 -0.71 -1.32 -0.63 -1.05 115.64 120.08 1d6t s THR 34 Ca 0.42 -1.96 0.00 0.00 -1.21 0.00 0.00 61.69 58.94 1d6t s THR 34 Cb -0.03 -2.70 0.02 0.00 -1.51 0.00 0.00 72.50 68.29 1d6t s THR 34 CO -0.03 -0.33 -0.08 0.00 -2.21 0.00 0.00 174.62 171.97 1d6t n ASN 36 N 4.66 -2.91 -4.52 0.00 6.94 -1.26 -4.37 115.26 113.79 1d6t n ASN 36 Ca -0.15 -0.34 -0.22 0.00 -0.02 0.00 0.00 54.58 53.84 1d6t n ASN 36 Cb 0.50 -0.74 -0.16 0.00 -2.36 0.00 0.00 39.78 37.03 1d6t n ASN 36 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1d6t n ASN 37 N -0.76 0.05 -3.37 0.53 6.94 -1.26 -4.74 115.26 112.64 1d6t n ASN 37 Ca 0.05 -0.77 -0.35 0.00 -0.02 0.00 0.00 54.58 53.49 1d6t n ASN 37 Cb 0.32 -1.01 -0.01 0.00 -2.36 0.00 0.00 39.78 36.72 1d6t n ASN 37 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1d6t n LYS 38 N 7.15 4.39 -1.55 -3.83 3.00 -1.26 -4.76 118.16 121.30 1d6t n LYS 38 Ca 0.59 -4.74 -0.19 0.00 -0.00 0.00 0.00 58.31 53.97 1d6t n LYS 38 Cb 0.25 -2.37 -0.08 0.00 0.00 0.00 0.00 35.03 32.83 1d6t n LYS 38 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1d6t n GLU 39 N -0.01 -1.51 -2.40 1.64 1.02 -1.26 -4.95 120.64 113.18 1d6t n GLU 39 Ca 0.39 1.16 -0.29 0.00 -0.02 0.00 0.00 57.16 58.40 1d6t n GLU 39 Cb 0.32 -5.56 0.00 0.00 -0.02 0.00 0.00 31.44 26.19 1d6t n GLU 39 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1d6t s ILE 40 N -2.60 4.84 0.00 -3.67 -1.09 -1.26 -4.99 121.20 112.43 1d6t s ILE 40 Ca 0.00 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 1d6t s ILE 40 Cb 0.00 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1d6t s ILE 40 CO 0.00 -0.93 0.58 -0.67 -1.23 0.00 0.00 174.94 172.69 1d6t n ASP 41 N -2.37 0.00 -3.91 3.58 2.03 -1.26 -4.93 116.55 109.68 1d6t n ASP 41 Ca 0.02 -1.34 -0.09 0.00 0.52 0.00 0.00 54.79 53.91 1d6t n ASP 41 Cb 0.55 -0.07 -0.05 0.00 -0.72 0.00 0.00 41.12 40.83 1d6t n ASP 41 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1d6t s HIS 42 N 0.00 0.18 -0.13 -0.67 3.76 -1.26 -4.81 115.29 112.36 1d6t s HIS 42 Ca 0.00 -0.55 0.01 0.00 -0.15 0.00 0.00 55.06 54.37 1d6t s HIS 42 Cb 0.00 0.28 -0.01 0.00 1.11 0.00 0.00 32.58 33.96 1d6t s HIS 42 CO 0.00 -0.98 -0.18 -0.59 -0.85 0.00 0.00 174.74 172.15 1d6t s PHE 43 N -3.97 2.71 -0.30 1.40 -0.12 -1.26 0.01 117.98 116.45 1d6t s PHE 43 Ca 0.17 -0.91 0.01 0.00 -0.05 0.00 0.00 56.93 56.15 1d6t s PHE 43 Cb -0.01 -1.81 0.09 0.00 -0.63 0.00 0.00 43.02 40.66 1d6t s PHE 43 CO 0.05 -0.37 0.04 -0.98 -0.05 0.00 0.00 175.22 173.91 1d6t s ARG 44 N 0.48 1.20 0.19 1.99 3.03 -1.25 -4.77 118.95 119.83 1d6t s ARG 44 Ca -0.12 -1.31 -0.29 0.00 2.03 0.00 0.00 55.73 56.03 1d6t s ARG 44 Cb -0.16 -2.56 -0.08 0.00 -1.03 0.00 0.00 34.95 31.12 1d6t s ARG 44 CO 0.05 -0.87 0.92 -0.51 -1.13 0.00 0.00 175.30 173.77 1d6t s LEU 45 N 1.32 4.59 0.31 -1.89 1.43 -1.24 -3.49 118.68 119.72 1d6t s LEU 45 Ca 0.06 1.85 0.05 0.00 -1.03 0.00 0.00 54.13 55.07 1d6t s LEU 45 Cb -0.18 -3.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.42 1d6t s LEU 45 CO -0.14 0.09 0.00 -0.83 0.23 0.00 0.00 176.35 175.71 1d6t s GLY 46 N -0.79 2.02 -0.17 -3.19 0.00 -1.25 -3.49 107.32 100.44 1d6t s GLY 46 Ca 0.42 -2.02 -0.04 0.00 0.00 0.00 0.00 44.72 43.08 1d6t s GLY 46 CO 0.30 -1.86 0.06 -0.42 0.00 0.00 0.00 173.10 171.19 1d6t s ILE 47 N -3.12 0.19 0.01 0.90 1.09 -1.26 -3.67 121.20 115.34 1d6t s ILE 47 Ca 0.33 -0.31 0.07 0.00 -1.10 0.00 0.00 60.65 59.64 1d6t s ILE 47 Cb 0.07 -0.76 -0.02 0.00 -1.06 0.00 0.00 42.46 40.69 1d6t s ILE 47 CO 0.14 -0.23 -0.21 -0.44 -0.10 0.00 0.00 174.94 174.11 1d6t s SER 48 N 2.01 2.46 0.37 3.58 0.01 -0.93 -5.05 113.70 116.15 1d6t s SER 48 Ca 0.01 -0.44 0.07 0.00 1.31 0.00 0.00 55.95 56.90 1d6t s SER 48 Cb -0.16 -0.24 -0.07 0.00 0.21 0.00 0.00 66.02 65.75 1d6t s SER 48 CO -0.08 0.22 -0.00 -0.69 0.41 0.00 0.00 173.24 173.09 1d6t s VAL 49 N -0.62 1.84 0.56 3.43 1.01 -1.26 -1.06 120.40 124.29 1d6t s VAL 49 Ca 0.08 -2.05 0.02 0.00 0.00 0.00 0.00 61.98 60.03 1d6t s VAL 49 Cb -0.08 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.49 1d6t s VAL 49 CO 0.00 -0.06 0.78 -0.55 0.00 0.00 0.00 175.10 175.27 1d6t s SER 50 N -3.62 5.19 0.00 3.32 0.15 -1.21 -4.78 113.70 112.75 1d6t s SER 50 Ca 0.34 -0.13 0.14 0.00 0.70 0.00 0.00 55.95 57.00 1d6t s SER 50 Cb 0.08 -0.69 0.10 0.00 -1.71 0.00 0.00 66.02 63.80 1d6t s SER 50 CO 0.17 -1.20 0.92 0.29 1.20 0.00 0.00 173.24 174.62 1d6t n LYS 51 N -2.35 0.94 -0.01 5.44 5.02 -1.26 -4.31 118.16 121.64 1d6t n LYS 51 Ca 0.09 -1.29 0.08 0.00 -2.02 0.00 0.00 58.31 55.17 1d6t n LYS 51 Cb 0.60 -1.26 -0.12 0.00 -0.02 0.00 0.00 35.03 34.23 1d6t n LYS 51 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1d6t n LYS 52 N 0.72 0.47 0.00 1.97 4.01 -1.26 -4.66 118.16 119.41 1d6t n LYS 52 Ca 0.08 -0.14 0.00 0.00 -0.51 0.00 0.00 58.31 57.74 1d6t n LYS 52 Cb 0.34 -1.36 0.00 0.00 -0.51 0.00 0.00 35.03 33.50 1d6t n LYS 52 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1d6t n LEU 53 N -2.02 0.00 0.00 -0.35 7.94 -1.26 -4.96 117.00 116.35 1d6t n LEU 53 Ca -0.03 0.90 0.00 0.00 -1.11 0.00 0.00 56.01 55.77 1d6t n LEU 53 Cb 0.40 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 43.92 1d6t n LEU 53 CO 0.32 -0.42 0.00 0.61 -1.11 0.00 0.00 177.39 176.79 1d6t n GLY 54 N -1.00 -0.69 4.02 -3.96 0.00 -1.26 -4.72 105.19 97.58 1d6t n GLY 54 Ca 0.00 0.36 -0.21 0.00 0.00 0.00 0.00 46.02 46.18 1d6t n GLY 54 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1d6t s ASN 55 N -4.00 4.93 0.48 1.61 2.47 -1.26 -4.98 114.94 114.19 1d6t s ASN 55 Ca 0.00 -0.63 0.25 0.00 0.42 0.00 0.00 52.86 52.90 1d6t s ASN 55 Cb 0.00 0.07 1.19 0.00 -1.45 0.00 0.00 41.25 41.06 1d6t s ASN 55 CO 0.00 -1.44 1.95 0.00 -3.72 0.00 0.00 177.10 173.90 1d6t h ALA 56 N 0.01 1.17 -0.96 1.71 0.00 -2.01 -2.42 119.26 116.76 1d6t h ALA 56 Ca -0.33 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.51 1d6t h ALA 56 Cb 1.28 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 1d6t h ALA 56 CO 0.41 0.23 0.62 -0.24 0.00 0.00 0.00 179.25 180.27 1d6t h VAL 57 N 0.00 0.98 -0.11 0.00 3.04 -1.98 0.59 116.25 118.76 1d6t h VAL 57 Ca -0.00 -0.34 -0.14 0.00 -1.01 0.00 0.00 66.70 65.21 1d6t h VAL 57 Cb 0.53 -0.11 0.01 0.00 -2.01 0.00 0.00 31.29 29.71 1d6t h VAL 57 CO 0.02 0.18 -0.48 -0.07 -1.01 0.00 0.00 177.57 176.22 1d6t h LEU 58 N 1.00 0.61 -0.57 3.16 3.38 -1.82 -2.44 115.31 118.62 1d6t h LEU 58 Ca 0.45 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1d6t h LEU 58 Cb 0.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1d6t h LEU 58 CO -0.21 1.14 0.00 -1.14 0.09 0.00 0.00 178.44 178.32 1d6t n ARG 59 N -4.25 0.11 0.04 1.13 0.00 -0.46 -1.08 116.66 112.15 1d6t n ARG 59 Ca -0.08 0.43 -0.18 0.00 -0.00 0.00 0.00 57.85 58.02 1d6t n ARG 59 Cb 0.59 -1.75 -0.14 0.00 0.00 0.00 0.00 32.46 31.15 1d6t n ARG 59 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1d6t h ASN 60 N 0.00 0.37 0.12 6.15 -0.73 0.38 -2.19 115.58 119.68 1d6t h ASN 60 Ca 0.00 -0.64 -0.21 0.00 1.87 0.00 0.00 56.30 57.32 1d6t h ASN 60 Cb 0.23 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.70 1d6t h ASN 60 CO 0.00 1.55 -0.81 0.50 -0.37 0.00 0.00 177.43 178.30 1d6t h LYS 61 N 0.07 0.56 0.00 6.67 3.64 -0.86 1.51 116.57 128.16 1d6t h LYS 61 Ca -0.32 -0.49 -0.11 0.00 -1.27 0.00 0.00 60.65 58.46 1d6t h LYS 61 Cb 2.03 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.95 1d6t h LYS 61 CO 0.13 1.12 -0.54 0.82 -2.27 0.00 0.00 179.45 178.71 1d6t h ILE 62 N 0.37 1.05 0.00 2.00 2.04 -1.23 -2.26 117.51 119.47 1d6t h ILE 62 Ca -0.06 -2.11 -0.01 0.00 1.00 0.00 0.00 64.86 63.68 1d6t h ILE 62 Cb 1.42 2.26 -0.00 0.00 -0.74 0.00 0.00 36.82 39.76 1d6t h ILE 62 CO 0.15 0.53 -0.42 0.50 0.00 0.00 0.00 178.15 178.90 1d6t h LYS 63 N 0.00 0.00 -1.08 2.37 3.64 -1.26 -2.98 116.57 117.26 1d6t h LYS 63 Ca -0.01 0.00 0.31 0.00 -1.27 0.00 0.00 60.65 59.68 1d6t h LYS 63 Cb 1.22 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.99 1d6t h LYS 63 CO 0.07 0.05 0.77 0.07 -2.27 0.00 0.00 179.45 178.14 1d6t h ARG 64 N -1.00 0.05 0.00 1.90 -0.00 0.20 1.96 114.38 117.49 1d6t h ARG 64 Ca -0.01 -0.00 -0.14 0.00 -0.00 0.00 0.00 59.98 59.82 1d6t h ARG 64 Cb 0.44 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 30.38 1d6t h ARG 64 CO -0.01 0.03 -0.68 0.00 -0.00 0.00 0.00 179.97 179.32 1d6t h ALA 65 N 1.48 0.58 0.00 0.08 0.00 -1.55 -0.77 119.26 119.07 1d6t h ALA 65 Ca 0.53 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1d6t h ALA 65 Cb 2.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1d6t h ALA 65 CO -0.04 0.82 0.00 0.97 0.00 0.00 0.00 179.25 181.00 1d6t h ILE 66 N 0.00 0.00 -0.00 0.00 -0.00 0.31 -2.35 117.51 115.47 1d6t h ILE 66 Ca -0.01 -0.90 0.00 0.00 -0.00 0.00 0.00 64.86 63.95 1d6t h ILE 66 Cb 1.51 1.89 0.00 0.00 -0.00 0.00 0.00 36.82 40.22 1d6t h ILE 66 CO 0.08 0.00 -0.73 -1.14 -0.00 0.00 0.00 178.15 176.36 1d6t n ARG 67 N -2.93 1.14 -0.05 2.19 0.00 0.82 -3.38 116.66 114.44 1d6t n ARG 67 Ca 0.04 -0.24 0.08 0.00 -0.00 0.00 0.00 57.85 57.73 1d6t n ARG 67 Cb 0.51 -1.36 0.09 0.00 0.00 0.00 0.00 32.46 31.71 1d6t n ARG 67 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1d6t n GLU 68 N -1.07 1.50 0.00 -0.14 1.02 -0.31 -4.40 120.64 117.26 1d6t n GLU 68 Ca 0.05 -1.60 -0.00 0.00 -0.02 0.00 0.00 57.16 55.58 1d6t n GLU 68 Cb 0.31 -1.32 -0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1d6t n GLU 68 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1d6t n ASN 69 N 0.90 0.10 -0.50 1.62 4.05 -0.89 -4.69 115.26 115.85 1d6t n ASN 69 Ca 0.11 0.01 0.42 0.00 0.45 0.00 0.00 54.58 55.57 1d6t n ASN 69 Cb 0.42 -0.08 0.64 0.00 1.23 0.00 0.00 39.78 41.99 1d6t n ASN 69 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1d6t n PHE 70 N -2.60 0.00 0.24 1.20 3.01 -1.22 0.22 117.46 118.32 1d6t n PHE 70 Ca -0.00 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.62 1d6t n PHE 70 Cb 0.00 -0.39 0.69 0.00 -0.01 0.00 0.00 39.48 39.78 1d6t n PHE 70 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1d6t h LYS 71 N 0.00 0.00 0.02 -1.08 1.79 -1.81 1.77 116.57 117.26 1d6t h LYS 71 Ca 0.74 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.81 1d6t h LYS 71 Cb 3.29 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 33.88 1d6t h LYS 71 CO -0.01 0.00 -2.36 1.33 -1.08 0.00 0.00 179.45 177.33 1d6t n VAL 72 N -3.09 1.55 0.32 0.50 0.24 0.60 -4.17 118.33 114.28 1d6t n VAL 72 Ca 0.02 -0.53 0.15 0.00 -2.04 0.00 0.00 64.34 61.94 1d6t n VAL 72 Cb 0.57 -1.58 0.64 0.00 -1.47 0.00 0.00 33.84 32.00 1d6t n VAL 72 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 1d6t h HIS 73 N -0.21 0.00 0.00 6.34 3.86 -0.65 -1.07 115.15 123.42 1d6t h HIS 73 Ca -0.57 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.64 1d6t h HIS 73 Cb 1.85 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.32 1d6t h HIS 73 CO 0.02 0.00 0.00 -0.22 0.86 0.00 0.00 177.93 178.59 1d6t h LYS 74 N 0.00 0.00 -0.98 2.45 3.64 0.24 0.34 116.57 122.25 1d6t h LYS 74 Ca 0.00 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.74 1d6t h LYS 74 Cb 0.35 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 31.87 1d6t h LYS 74 CO 0.00 0.00 0.76 0.45 -2.27 0.00 0.00 179.45 178.39 1d6t n SER 75 N -2.35 6.82 0.00 4.20 2.88 -0.40 -4.31 113.62 120.46 1d6t n SER 75 Ca 0.02 -3.76 0.00 0.00 -1.33 0.00 0.00 58.87 53.81 1d6t n SER 75 Cb 0.26 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 1d6t n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1d6t n HIS 76 N -0.96 0.00 -1.51 0.66 1.44 -1.00 -5.10 115.22 108.75 1d6t n HIS 76 Ca 0.61 0.00 -0.47 0.00 -2.01 0.00 0.00 57.72 55.85 1d6t n HIS 76 Cb 0.86 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.94 1d6t n HIS 76 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1d6t n ILE 77 N -0.81 1.77 -4.25 0.61 -0.00 0.12 -3.95 119.36 112.84 1d6t n ILE 77 Ca 0.00 -0.44 -0.30 0.00 -0.00 0.00 0.00 62.75 62.01 1d6t n ILE 77 Cb 0.00 -0.57 -0.03 0.00 -0.00 0.00 0.00 39.64 39.04 1d6t n ILE 77 CO 0.00 0.00 0.00 -1.48 -0.00 0.00 0.00 176.55 175.07 1d6t s LEU 78 N 1.40 2.46 0.14 1.39 -0.00 -1.22 -4.96 118.68 117.90 1d6t s LEU 78 Ca 0.64 -1.45 -0.34 0.00 -0.00 0.00 0.00 54.13 52.97 1d6t s LEU 78 Cb -0.83 -0.95 -0.15 0.00 -0.00 0.00 0.00 46.19 44.26 1d6t s LEU 78 CO 0.57 -1.06 1.47 0.00 -0.00 0.00 0.00 176.35 177.34 1d6t n ALA 79 N -1.60 0.54 0.00 1.48 0.00 -1.26 -4.28 120.51 115.39 1d6t n ALA 79 Ca -0.10 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1d6t n ALA 79 Cb 0.65 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1d6t n ALA 79 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1d6t n LYS 80 N 2.96 0.00 -1.96 0.00 5.02 0.10 -4.83 118.16 119.46 1d6t n LYS 80 Ca 0.17 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.17 1d6t n LYS 80 Cb 0.26 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.22 1d6t n LYS 80 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1d6t s ASP 81 N 0.00 4.97 0.46 4.39 -1.08 -1.26 -3.92 116.67 120.23 1d6t s ASP 81 Ca 0.00 -0.20 0.08 0.00 -0.52 0.00 0.00 52.55 51.90 1d6t s ASP 81 Cb 0.00 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 38.92 1d6t s ASP 81 CO 0.00 -2.80 0.47 0.27 0.52 0.00 0.00 175.17 173.63 1d6t s ILE 82 N 10.54 2.48 -0.30 4.11 -5.25 -1.23 -2.96 121.20 128.60 1d6t s ILE 82 Ca 0.74 -1.26 -0.13 0.00 -0.99 0.00 0.00 60.65 59.00 1d6t s ILE 82 Cb -0.10 -2.74 0.17 0.00 2.95 0.00 0.00 42.46 42.75 1d6t s ILE 82 CO 0.08 0.00 1.01 -0.63 -1.79 0.00 0.00 174.94 173.61 1d6t s ILE 83 N -2.53 -0.43 -0.05 8.37 1.09 -0.21 -3.91 121.20 123.52 1d6t s ILE 83 Ca 0.49 0.00 -0.17 0.00 -1.10 0.00 0.00 60.65 59.87 1d6t s ILE 83 Cb -0.05 -1.00 -0.05 0.00 -1.06 0.00 0.00 42.46 40.30 1d6t s ILE 83 CO 0.29 0.00 0.47 0.68 -0.10 0.00 0.00 174.94 176.28 1d6t s VAL 84 N 2.67 5.07 0.12 2.92 -7.23 -1.24 0.21 120.40 122.92 1d6t s VAL 84 Ca 0.00 0.95 0.11 0.00 -1.81 0.00 0.00 61.98 61.23 1d6t s VAL 84 Cb -0.08 -3.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.03 1d6t s VAL 84 CO -0.15 0.44 -0.25 -0.63 -0.31 0.00 0.00 175.10 174.20 1d6t s ILE 85 N -0.17 2.36 -0.56 -0.62 -1.09 0.56 -2.19 121.20 119.49 1d6t s ILE 85 Ca 0.26 -1.69 -0.21 0.00 -2.23 0.00 0.00 60.65 56.77 1d6t s ILE 85 Cb -0.16 -2.05 0.06 0.00 -1.58 0.00 0.00 42.46 38.73 1d6t s ILE 85 CO 0.12 0.11 0.80 0.00 -1.23 0.00 0.00 174.94 174.75 1d6t s ALA 86 N -1.06 3.26 0.94 9.38 0.00 -0.23 -1.33 121.76 132.72 1d6t s ALA 86 Ca 0.15 -1.68 -0.15 0.00 0.00 0.00 0.00 51.96 50.28 1d6t s ALA 86 Cb -0.10 -3.60 0.06 0.00 0.00 0.00 0.00 23.12 19.48 1d6t s ALA 86 CO 0.07 -2.33 -0.13 -2.13 0.00 0.00 0.00 175.76 171.23 1d6t n ARG 87 N 6.92 -1.36 -0.03 0.00 3.00 -0.96 -3.29 116.66 120.93 1d6t n ARG 87 Ca -0.04 -0.40 -0.14 0.00 -0.00 0.00 0.00 57.85 57.27 1d6t n ARG 87 Cb 0.46 -1.35 -0.11 0.00 0.00 0.00 0.00 32.46 31.46 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 -2.16 0.09 0.00 -0.14 4.20 -1.96 -3.08 115.11 112.06 1d6t h GLN 88 Ca -0.28 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.35 1d6t h GLN 88 Cb 0.85 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.65 1d6t h GLN 88 CO 0.18 0.77 0.00 -0.35 -0.67 0.00 0.00 178.83 178.75 1d6t n PRO 89 N -4.66 0.75 0.00 1.46 -0.04 -1.26 -2.90 135.00 128.35 1d6t n PRO 89 Ca -0.09 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.50 1d6t n PRO 89 Cb 0.39 -1.21 0.74 0.00 -0.04 0.00 0.00 33.50 33.38 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 -0.71 2.41 0.55 0.55 0.00 -1.16 -2.31 120.51 119.84 1d6t n ALA 90 Ca 0.08 -0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1d6t n ALA 90 Cb 0.03 -1.42 0.37 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.47 0.00 2.10 -1.75 -2.87 116.57 113.58 1d6t h LYS 91 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1d6t h LYS 91 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 1d6t h LYS 91 CO 0.00 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 173.98 1d6t n ASP 92 N -2.40 3.82 -4.85 7.07 -0.08 -0.98 -4.96 116.55 114.16 1d6t n ASP 92 Ca 0.05 -2.33 -0.33 0.00 -1.51 0.00 0.00 54.79 50.67 1d6t n ASP 92 Cb 0.44 -0.43 -0.06 0.00 2.34 0.00 0.00 41.12 43.41 1d6t n ASP 92 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 1d6t s MET 93 N -1.61 3.26 0.05 -0.67 1.75 -1.09 -5.11 119.30 115.88 1d6t s MET 93 Ca 0.39 -0.43 0.02 0.00 -1.25 0.00 0.00 55.69 54.41 1d6t s MET 93 Cb 0.24 -2.97 -0.04 0.00 2.84 0.00 0.00 34.83 34.90 1d6t s MET 93 CO 0.19 0.65 0.09 0.95 -0.65 0.00 0.00 175.02 176.25 1d6t s THR 94 N -1.31 4.65 0.63 10.11 -4.23 -1.26 -4.97 115.64 119.26 1d6t s THR 94 Ca 0.27 -0.61 0.25 0.00 -1.18 0.00 0.00 61.69 60.42 1d6t s THR 94 Cb -0.12 -3.20 0.30 0.00 1.34 0.00 0.00 72.50 70.81 1d6t s THR 94 CO 0.19 0.21 1.71 0.74 -0.54 0.00 0.00 174.62 176.92 1d6t h THR 95 N 2.78 0.13 -0.60 3.99 2.02 -1.99 0.91 112.91 120.15 1d6t h THR 95 Ca -0.47 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.62 1d6t h THR 95 Cb 1.17 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1d6t h THR 95 CO 0.65 0.00 0.03 0.25 0.37 0.00 0.00 175.52 176.83 1d6t h LEU 96 N 0.00 1.01 -0.19 2.58 7.12 -1.96 -2.38 115.31 121.49 1d6t h LEU 96 Ca 0.14 -0.29 -0.05 0.00 0.13 0.00 0.00 57.88 57.80 1d6t h LEU 96 Cb 1.31 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 41.17 1d6t h LEU 96 CO -0.00 1.05 -0.26 1.56 -0.13 0.00 0.00 178.44 180.66 1d6t h GLN 97 N 0.94 0.00 0.81 1.25 4.20 0.42 -3.22 115.11 119.51 1d6t h GLN 97 Ca 0.17 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 1d6t h GLN 97 Cb 0.51 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.30 1d6t h GLN 97 CO 0.02 0.26 -0.39 0.82 -0.67 0.00 0.00 178.83 178.87 1d6t h ILE 98 N 0.00 0.20 -0.67 2.54 2.04 -0.83 0.56 117.51 121.35 1d6t h ILE 98 Ca -0.00 -0.01 0.13 0.00 1.00 0.00 0.00 64.86 65.98 1d6t h ILE 98 Cb 1.13 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 1d6t h ILE 98 CO 0.03 0.00 0.45 1.56 0.00 0.00 0.00 178.15 180.20 1d6t h GLN 99 N -1.09 0.35 -0.00 2.37 4.20 -1.57 1.28 115.11 120.65 1d6t h GLN 99 Ca -0.11 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1d6t h GLN 99 Cb 0.83 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1d6t h GLN 99 CO 0.18 0.23 -0.12 0.09 -0.67 0.00 0.00 178.83 178.54 1d6t n ASN 100 N -4.46 0.21 -0.12 1.46 3.02 -0.88 -3.17 115.26 111.31 1d6t n ASN 100 Ca 0.12 -0.01 -0.25 0.00 -0.03 0.00 0.00 54.58 54.41 1d6t n ASN 100 Cb 0.49 -0.22 -0.10 0.00 -0.61 0.00 0.00 39.78 39.34 1d6t n ASN 100 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1d6t n SER 101 N -1.33 1.92 -0.09 6.41 7.64 0.38 -4.26 113.62 124.29 1d6t n SER 101 Ca 0.10 0.38 0.22 0.00 1.01 0.00 0.00 58.87 60.58 1d6t n SER 101 Cb 0.31 -0.86 0.67 0.00 -1.01 0.00 0.00 64.21 63.32 1d6t n SER 101 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1d6t h LEU 102 N -1.00 0.07 0.00 -3.43 3.38 0.21 1.70 115.31 116.23 1d6t h LEU 102 Ca -0.52 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1d6t h LEU 102 Cb 1.43 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1d6t h LEU 102 CO -0.32 0.03 0.00 -0.62 0.09 0.00 0.00 178.44 177.63 1d6t n GLU 103 N -4.36 0.79 0.00 1.13 1.02 -1.19 -2.64 120.64 115.39 1d6t n GLU 103 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1d6t n GLU 103 Cb 0.72 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 1d6t n GLU 103 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1d6t n HIS 104 N -0.90 0.00 -0.24 -0.32 -0.00 0.54 -4.27 115.22 110.03 1d6t n HIS 104 Ca 0.15 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.24 1d6t n HIS 104 Cb 0.07 0.08 -0.05 0.00 -0.12 0.00 0.00 29.99 29.96 1d6t n HIS 104 CO 0.00 0.00 0.00 -0.24 0.46 0.00 0.00 176.34 176.56 1d6t h VAL 105 N 0.00 0.04 -0.55 3.57 3.04 -0.67 1.03 116.25 122.72 1d6t h VAL 105 Ca 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.61 1d6t h VAL 105 Cb 0.00 0.04 -0.02 0.00 -2.01 0.00 0.00 31.29 29.30 1d6t h VAL 105 CO 0.00 0.00 0.03 0.17 -1.01 0.00 0.00 177.57 176.76 1d6t h LEU 106 N -0.21 0.92 -0.88 3.16 8.10 -1.68 -1.27 115.31 123.45 1d6t h LEU 106 Ca 0.17 -0.29 0.17 0.00 0.11 0.00 0.00 57.88 58.03 1d6t h LEU 106 Cb 0.55 -0.25 -0.10 0.00 -0.44 0.00 0.00 40.66 40.42 1d6t h LEU 106 CO -0.74 0.98 0.46 0.50 -4.11 0.00 0.00 178.44 175.54 1d6t h LYS 107 N 0.82 0.59 -0.23 0.17 3.11 -0.54 0.25 116.57 120.75 1d6t h LYS 107 Ca 0.16 -0.04 -0.18 0.00 -2.81 0.00 0.00 60.65 57.79 1d6t h LYS 107 Cb 0.49 -0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 31.59 1d6t h LYS 107 CO 0.02 0.39 -0.56 0.82 -2.81 0.00 0.00 179.45 177.31 1d6t h ILE 108 N 0.61 1.30 -0.99 2.00 2.04 0.13 -3.02 117.51 119.58 1d6t h ILE 108 Ca 0.50 -1.79 0.35 0.00 1.00 0.00 0.00 64.86 64.92 1d6t h ILE 108 Cb 0.77 1.73 -0.16 0.00 -0.74 0.00 0.00 36.82 38.41 1d6t h ILE 108 CO -0.39 0.57 0.49 0.00 0.00 0.00 0.00 178.15 178.81 1d6t h ALA 109 N 0.83 1.92 0.00 1.87 0.00 0.69 -3.44 119.26 121.13 1d6t h ALA 109 Ca 0.01 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1d6t h ALA 109 Cb 1.14 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1d6t h ALA 109 CO 0.11 -0.72 0.00 1.17 0.00 0.00 0.00 179.25 179.82 1d6t n LYS 110 N -5.18 0.00 -0.46 0.00 4.81 -1.04 -4.95 118.16 111.34 1d6t n LYS 110 Ca 0.33 0.12 -0.05 0.00 -0.87 0.00 0.00 58.31 57.83 1d6t n LYS 110 Cb 1.06 -1.25 0.10 0.00 0.02 0.00 0.00 35.03 34.97 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 -2.24 1.64 -4.15 3.15 0.24 -1.25 -4.79 118.33 110.93 1d6t n VAL 111 Ca 0.00 -0.71 -0.34 0.00 -2.04 0.00 0.00 64.34 61.25 1d6t n VAL 111 Cb 0.04 -0.66 -0.15 0.00 -1.47 0.00 0.00 33.84 31.61 1d6t n VAL 111 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1d6t s PHE 112 N -1.47 2.88 0.38 6.34 0.08 -1.26 -3.37 117.98 121.56 1d6t s PHE 112 Ca 0.23 -1.07 0.22 0.00 0.12 0.00 0.00 56.93 56.43 1d6t s PHE 112 Cb 0.19 -2.00 1.34 0.00 -0.57 0.00 0.00 43.02 41.98 1d6t s PHE 112 CO 0.05 -0.55 1.59 -0.91 -0.10 0.00 0.00 175.22 175.30 1d6t h ASN 113 N 7.78 0.32 0.00 1.36 2.35 -1.87 -3.40 115.58 122.12 1d6t h ASN 113 Ca -0.39 0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1d6t h ASN 113 Cb 1.17 0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.77 1d6t h ASN 113 CO 0.60 -0.37 0.00 1.17 -1.65 0.00 0.00 177.43 177.18 1d6t n LYS 114 N -5.14 0.00 -2.66 0.81 4.81 -1.26 -5.07 118.16 109.64 1d6t n LYS 114 Ca 0.38 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.78 1d6t n LYS 114 Cb 1.30 0.00 0.09 0.00 0.02 0.00 0.00 35.03 36.44 1d6t n LYS 114 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1d6t n LYS 115 N -1.08 0.20 -1.08 1.64 4.81 -1.26 -5.08 118.16 116.31 1d6t n LYS 115 Ca 0.00 -0.77 -0.37 0.00 -0.87 0.00 0.00 58.31 56.30 1d6t n LYS 115 Cb 0.00 -0.17 0.04 0.00 0.02 0.00 0.00 35.03 34.92 1d6t n LYS 115 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1d6t n ILE 116 N 0.31 0.07 0.16 3.15 5.41 -1.26 -5.18 119.36 122.02 1d6t n ILE 116 Ca -0.09 -0.49 0.02 0.00 1.00 0.00 0.00 62.75 63.20 1d6t n ILE 116 Cb 0.74 -0.05 0.02 0.00 -0.71 0.00 0.00 39.64 39.64 1d6t n ILE 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72