#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 -4.93 -0.89 -0.00 -1.26 -5.17 117.00 104.75 1d6t n LEU 2 Ca 0.00 -1.55 -0.20 0.00 -0.00 0.00 0.00 56.01 54.27 1d6t n LEU 2 Cb 0.00 0.49 -0.01 0.00 -0.00 0.00 0.00 43.42 43.89 1d6t n LEU 2 CO 0.00 -0.24 0.06 -1.48 -0.00 0.00 0.00 177.39 175.74 1d6t s LEU 3 N 0.00 3.46 0.00 1.47 2.34 -1.26 -5.14 118.68 119.56 1d6t s LEU 3 Ca 0.10 -0.64 0.00 0.00 0.06 0.00 0.00 54.13 53.64 1d6t s LEU 3 Cb 0.00 -2.24 0.00 0.00 -0.56 0.00 0.00 46.19 43.39 1d6t s LEU 3 CO 0.07 -0.72 0.00 1.21 -1.06 0.00 0.00 176.35 175.85 1d6t n GLU 4 N -1.68 3.66 0.00 1.48 2.13 -1.26 -4.95 120.64 120.01 1d6t n GLU 4 Ca 0.05 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.95 1d6t n GLU 4 Cb 0.61 0.00 0.45 0.00 0.27 0.00 0.00 31.44 32.76 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 0.37 -0.37 5.31 2.85 -1.26 -3.27 118.16 121.79 1d6t n LYS 5 Ca 0.00 0.07 0.28 0.00 -1.05 0.00 0.00 58.31 57.61 1d6t n LYS 5 Cb 0.00 -1.50 0.55 0.00 -0.65 0.00 0.00 35.03 33.43 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 2.89 2.31 -0.43 0.58 0.00 -1.96 2.83 119.26 125.49 1d6t h ALA 6 Ca 0.00 0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1d6t h ALA 6 Cb 0.07 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.91 1d6t h ALA 6 CO 0.00 -0.87 0.20 2.48 0.00 0.00 0.00 179.25 181.05 1d6t n TYR 7 N -4.81 1.39 -4.43 0.00 4.11 -1.20 -4.31 117.16 107.91 1d6t n TYR 7 Ca 0.32 -0.85 -0.21 0.00 -0.00 0.00 0.00 57.90 57.16 1d6t n TYR 7 Cb 1.12 -0.49 -0.10 0.00 -0.00 0.00 0.00 39.34 39.86 1d6t n TYR 7 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 1d6t s ARG 8 N -1.81 1.63 -0.14 -3.48 6.06 0.95 0.20 118.95 122.35 1d6t s ARG 8 Ca 0.29 -1.90 -0.02 0.00 -2.50 0.00 0.00 55.73 51.59 1d6t s ARG 8 Cb 0.24 -0.75 0.05 0.00 0.06 0.00 0.00 34.95 34.54 1d6t s ARG 8 CO 0.07 -0.22 0.03 0.42 -2.50 0.00 0.00 175.30 173.10 1d6t s ILE 9 N -3.37 0.39 0.00 4.11 1.01 -0.23 -4.46 121.20 118.65 1d6t s ILE 9 Ca 0.36 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.78 1d6t s ILE 9 Cb 0.08 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.78 1d6t s ILE 9 CO 0.15 -0.03 0.54 0.29 0.00 0.00 0.00 174.94 175.89 1d6t n LYS 10 N 5.12 0.67 -3.03 2.79 4.76 -1.26 -4.86 118.16 122.35 1d6t n LYS 10 Ca -0.08 -0.68 -0.15 0.00 -2.87 0.00 0.00 58.31 54.54 1d6t n LYS 10 Cb 0.48 -0.72 -0.02 0.00 -1.84 0.00 0.00 35.03 32.94 1d6t n LYS 10 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1d6t n LYS 11 N -0.14 1.25 -0.12 1.97 4.76 -1.26 -5.08 118.16 119.54 1d6t n LYS 11 Ca 0.00 -1.79 -0.25 0.00 -2.87 0.00 0.00 58.31 53.39 1d6t n LYS 11 Cb 0.30 0.35 -0.11 0.00 -1.84 0.00 0.00 35.03 33.73 1d6t n LYS 11 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1d6t n ASN 12 N -1.51 1.94 -0.32 4.39 0.23 -1.26 -3.77 115.26 114.97 1d6t n ASN 12 Ca -0.06 0.31 0.12 0.00 -0.53 0.00 0.00 54.58 54.41 1d6t n ASN 12 Cb 0.32 -0.83 0.34 0.00 -2.08 0.00 0.00 39.78 37.53 1d6t n ASN 12 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1d6t h ALA 13 N -0.65 1.74 0.00 -2.53 0.00 -1.98 1.93 119.26 117.78 1d6t h ALA 13 Ca -0.56 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1d6t h ALA 13 Cb 1.58 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1d6t h ALA 13 CO -0.28 -0.03 -0.23 -0.44 0.00 0.00 0.00 179.25 178.26 1d6t h ASP 14 N 0.77 0.00 0.51 0.00 5.19 -1.99 0.32 116.42 121.21 1d6t h ASP 14 Ca 0.50 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.67 1d6t h ASP 14 Cb 0.76 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.23 1d6t h ASP 14 CO -0.27 0.23 -1.67 0.49 -3.12 0.00 0.00 179.24 174.90 1d6t n PHE 15 N -3.60 0.87 0.09 4.55 3.72 0.32 -4.11 117.46 119.30 1d6t n PHE 15 Ca -0.01 0.30 -0.14 0.00 -0.05 0.00 0.00 57.45 57.56 1d6t n PHE 15 Cb 0.37 -1.11 -0.14 0.00 -0.94 0.00 0.00 39.48 37.66 1d6t n PHE 15 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1d6t h GLN 16 N 0.00 0.20 0.00 -1.08 4.15 0.29 -3.28 115.11 115.39 1d6t h GLN 16 Ca -0.26 -0.35 0.00 0.00 0.77 0.00 0.00 58.65 58.81 1d6t h GLN 16 Cb 1.85 0.13 0.00 0.00 0.21 0.00 0.00 27.48 29.67 1d6t h GLN 16 CO 0.06 1.16 0.00 0.54 -1.93 0.00 0.00 178.83 178.66 1d6t n ARG 17 N -3.48 0.00 -0.14 1.69 5.12 0.11 0.23 116.66 120.19 1d6t n ARG 17 Ca -0.07 0.76 -0.08 0.00 -1.93 0.00 0.00 57.85 56.53 1d6t n ARG 17 Cb 1.01 -1.33 -0.02 0.00 -1.16 0.00 0.00 32.46 30.96 1d6t n ARG 17 CO 0.00 0.00 0.00 -0.84 -1.93 0.00 0.00 177.63 174.86 1d6t h ILE 18 N 0.00 0.17 0.00 0.55 -2.65 -1.76 1.53 117.51 115.35 1d6t h ILE 18 Ca 0.00 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.89 1d6t h ILE 18 Cb 0.00 0.17 0.00 0.00 -2.05 0.00 0.00 36.82 34.94 1d6t h ILE 18 CO 0.00 0.00 0.08 -1.22 0.03 0.00 0.00 178.15 177.04 1d6t n TYR 19 N -5.42 0.47 0.00 0.16 4.02 -0.67 0.23 117.16 115.95 1d6t n TYR 19 Ca 0.01 0.25 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 1d6t n TYR 19 Cb 0.35 -0.83 0.00 0.00 -0.02 0.00 0.00 39.34 38.83 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 -1.99 0.00 0.00 -0.72 0.00 0.62 -4.71 118.16 111.36 1d6t n LYS 20 Ca -0.01 0.04 0.01 0.00 0.00 0.00 0.00 58.31 58.35 1d6t n LYS 20 Cb 0.11 -0.66 0.00 0.00 0.00 0.00 0.00 35.03 34.48 1d6t n LYS 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1d6t n LYS 21 N -0.62 1.69 -0.95 1.64 3.00 -1.03 -5.06 118.16 116.83 1d6t n LYS 21 Ca 0.00 -0.40 -0.35 0.00 -0.00 0.00 0.00 58.31 57.57 1d6t n LYS 21 Cb 0.00 -0.87 0.09 0.00 0.00 0.00 0.00 35.03 34.24 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 0.41 -2.60 3.26 3.14 0.00 0.63 -4.92 105.19 105.10 1d6t n GLY 22 Ca 0.01 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1d6t n GLY 22 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1d6t s HIS 23 N -2.19 3.36 0.26 1.61 2.46 0.49 -4.83 115.29 116.45 1d6t s HIS 23 Ca 0.54 -1.62 -0.04 0.00 0.47 0.00 0.00 55.06 54.41 1d6t s HIS 23 Cb -0.24 -3.49 -0.05 0.00 -0.13 0.00 0.00 32.58 28.66 1d6t s HIS 23 CO 0.69 -0.97 0.52 -1.54 -2.47 0.00 0.00 174.74 170.97 1d6t s SER 24 N 2.85 6.45 0.00 9.88 1.04 -1.26 -2.94 113.70 129.72 1d6t s SER 24 Ca 0.05 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.14 1d6t s SER 24 Cb -0.27 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1d6t s SER 24 CO 0.01 -0.15 0.00 1.33 0.98 0.00 0.00 173.24 175.41 1d6t n VAL 25 N -0.78 0.00 0.00 5.02 0.24 -0.74 -4.98 118.33 117.08 1d6t n VAL 25 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1d6t n VAL 25 Cb 0.54 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 1d6t n VAL 25 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1d6t n ALA 26 N -3.00 0.00 -1.31 2.33 0.00 -1.26 -4.25 120.51 113.02 1d6t n ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1d6t n ALA 26 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1d6t n ALA 26 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1d6t n ASN 27 N 0.00 0.00 0.00 0.00 0.23 0.82 -4.92 115.26 111.39 1d6t n ASN 27 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1d6t n ASN 27 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1d6t n ASN 27 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 1d6t n ARG 28 N -0.19 0.00 -0.16 -3.83 1.85 -1.26 -4.88 116.66 108.19 1d6t n ARG 28 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1d6t n ARG 28 Cb 0.00 -0.63 0.00 0.00 -1.05 0.00 0.00 32.46 30.78 1d6t n ARG 28 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1d6t n GLN 29 N -2.71 0.00 -4.16 2.89 3.00 -1.26 -4.98 117.38 110.15 1d6t n GLN 29 Ca 0.00 -0.64 -0.17 0.00 -0.01 0.00 0.00 57.00 56.18 1d6t n GLN 29 Cb 0.43 -0.49 -0.15 0.00 0.00 0.00 0.00 30.24 30.03 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 0.53 0.05 1.08 5.36 -1.26 -1.24 117.98 122.50 1d6t s PHE 30 Ca 0.00 -0.11 0.07 0.00 -0.96 0.00 0.00 56.93 55.93 1d6t s PHE 30 Cb 0.00 -0.39 -0.03 0.00 -0.34 0.00 0.00 43.02 42.26 1d6t s PHE 30 CO 0.00 -0.05 -0.18 0.14 -1.46 0.00 0.00 175.22 173.67 1d6t s VAL 31 N 0.14 1.47 -0.08 3.12 -7.23 0.13 -0.13 120.40 117.82 1d6t s VAL 31 Ca -0.01 -1.19 0.02 0.00 -1.81 0.00 0.00 61.98 58.99 1d6t s VAL 31 Cb -0.05 -1.30 0.01 0.00 0.56 0.00 0.00 36.38 35.60 1d6t s VAL 31 CO -0.00 0.08 -0.13 0.68 -0.31 0.00 0.00 175.10 175.42 1d6t s VAL 32 N -0.89 1.23 -0.16 1.32 -7.23 -1.26 0.17 120.40 113.58 1d6t s VAL 32 Ca 0.05 -0.51 -0.05 0.00 -1.81 0.00 0.00 61.98 59.65 1d6t s VAL 32 Cb -0.09 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.69 1d6t s VAL 32 CO 0.02 0.38 0.00 -0.31 -0.31 0.00 0.00 175.10 174.88 1d6t s TYR 33 N 0.81 3.12 0.13 2.82 1.51 -0.68 -1.80 117.35 123.26 1d6t s TYR 33 Ca -0.11 -0.14 -0.02 0.00 -1.01 0.00 0.00 57.07 55.79 1d6t s TYR 33 Cb -0.15 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 1d6t s TYR 33 CO 0.02 0.05 0.08 0.95 -1.11 0.00 0.00 175.55 175.54 1d6t s THR 34 N 0.34 0.10 0.04 -0.71 -4.23 -1.15 -1.47 115.64 108.57 1d6t s THR 34 Ca -0.01 -1.85 -0.09 0.00 -1.18 0.00 0.00 61.69 58.56 1d6t s THR 34 Cb -0.13 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.70 1d6t s THR 34 CO 0.02 -0.46 0.18 0.00 -0.54 0.00 0.00 174.62 173.82 1d6t n ASN 36 N 0.64 -5.79 -0.38 0.00 3.02 -1.26 -3.62 115.26 107.87 1d6t n ASN 36 Ca -0.19 1.00 0.34 0.00 -0.03 0.00 0.00 54.58 55.71 1d6t n ASN 36 Cb 0.59 -3.21 0.60 0.00 -0.61 0.00 0.00 39.78 37.15 1d6t n ASN 36 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1d6t n ASN 37 N 1.62 0.26 -2.70 6.41 4.13 -1.26 -3.45 115.26 120.26 1d6t n ASN 37 Ca -0.10 1.42 -0.05 0.00 1.68 0.00 0.00 54.58 57.54 1d6t n ASN 37 Cb 0.29 -0.70 0.05 0.00 -1.54 0.00 0.00 39.78 37.88 1d6t n ASN 37 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1d6t n LYS 38 N -4.84 0.35 -1.02 3.52 4.81 -1.26 -4.69 118.16 115.03 1d6t n LYS 38 Ca 0.37 -1.19 0.04 0.00 -0.87 0.00 0.00 58.31 56.67 1d6t n LYS 38 Cb 1.36 -0.66 0.07 0.00 0.02 0.00 0.00 35.03 35.83 1d6t n LYS 38 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1d6t n GLU 39 N 2.01 0.48 -0.30 1.64 2.13 -1.22 -5.06 120.64 120.32 1d6t n GLU 39 Ca 0.08 -2.21 0.00 0.00 0.66 0.00 0.00 57.16 55.69 1d6t n GLU 39 Cb 0.65 -0.58 0.00 0.00 0.27 0.00 0.00 31.44 31.78 1d6t n GLU 39 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1d6t n ILE 40 N -0.11 0.00 -1.57 6.31 -0.00 -1.26 -5.03 119.36 117.69 1d6t n ILE 40 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.84 1d6t n ILE 40 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.57 1d6t n ILE 40 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1d6t n ASP 41 N -0.31 0.00 -3.51 7.28 -0.08 -1.26 -4.89 116.55 113.78 1d6t n ASP 41 Ca 0.00 -1.23 0.00 0.00 -1.51 0.00 0.00 54.79 52.05 1d6t n ASP 41 Cb 0.00 -0.05 -0.04 0.00 2.34 0.00 0.00 41.12 43.37 1d6t n ASP 41 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 1d6t s HIS 42 N 0.00 -0.85 -0.91 -0.67 -3.43 -1.26 -4.88 115.29 103.28 1d6t s HIS 42 Ca 0.00 1.51 -0.25 0.00 -0.80 0.00 0.00 55.06 55.52 1d6t s HIS 42 Cb 0.00 0.51 -0.07 0.00 -1.43 0.00 0.00 32.58 31.59 1d6t s HIS 42 CO 0.00 -0.42 2.05 -0.59 -2.00 0.00 0.00 174.74 173.77 1d6t s PHE 43 N 2.39 1.67 -0.81 0.38 -0.12 -1.26 -4.25 117.98 115.98 1d6t s PHE 43 Ca -0.05 0.94 -0.22 0.00 -0.05 0.00 0.00 56.93 57.56 1d6t s PHE 43 Cb -0.07 -3.89 -0.19 0.00 -0.63 0.00 0.00 43.02 38.23 1d6t s PHE 43 CO -0.18 -1.63 2.39 0.54 -0.05 0.00 0.00 175.22 176.30 1d6t n ARG 44 N 8.77 0.43 -2.61 1.99 1.74 -1.24 -4.23 116.66 121.52 1d6t n ARG 44 Ca 0.42 -0.32 -0.41 0.00 -0.77 0.00 0.00 57.85 56.77 1d6t n ARG 44 Cb 0.46 -2.61 -0.05 0.00 -1.02 0.00 0.00 32.46 29.25 1d6t n ARG 44 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1d6t s LEU 45 N 9.54 4.54 0.09 0.55 0.20 0.53 -1.90 118.68 132.23 1d6t s LEU 45 Ca 1.11 2.02 -0.05 0.00 0.69 0.00 0.00 54.13 57.89 1d6t s LEU 45 Cb -0.50 -3.60 -0.02 0.00 -0.43 0.00 0.00 46.19 41.63 1d6t s LEU 45 CO 0.31 -0.09 0.12 -0.83 -0.29 0.00 0.00 176.35 175.57 1d6t s GLY 46 N -0.43 0.40 -0.04 7.98 0.00 -1.08 -1.07 107.32 113.08 1d6t s GLY 46 Ca 0.46 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 44.21 1d6t s GLY 46 CO 0.34 -1.05 -0.01 -0.42 0.00 0.00 0.00 173.10 171.96 1d6t s ILE 47 N -3.92 0.29 -0.00 0.90 1.01 -1.26 -3.50 121.20 114.71 1d6t s ILE 47 Ca 0.10 0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.76 1d6t s ILE 47 Cb 0.06 -0.39 -0.00 0.00 0.01 0.00 0.00 42.46 42.14 1d6t s ILE 47 CO -0.07 0.19 0.09 -0.44 0.00 0.00 0.00 174.94 174.70 1d6t s SER 48 N 1.21 0.06 0.35 3.58 0.01 -1.14 -5.02 113.70 112.75 1d6t s SER 48 Ca -0.07 -0.20 0.06 0.00 1.31 0.00 0.00 55.95 57.05 1d6t s SER 48 Cb -0.13 0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.25 1d6t s SER 48 CO -0.02 -0.29 0.24 0.54 0.41 0.00 0.00 173.24 174.12 1d6t s VAL 49 N -1.13 0.15 0.43 3.43 0.11 -1.26 -1.74 120.40 120.40 1d6t s VAL 49 Ca -0.12 -2.00 0.08 0.00 -2.93 0.00 0.00 61.98 57.01 1d6t s VAL 49 Cb -0.07 -2.44 0.01 0.00 -1.53 0.00 0.00 36.38 32.35 1d6t s VAL 49 CO 0.01 0.00 0.58 -0.55 -3.33 0.00 0.00 175.10 171.80 1d6t s SER 50 N -3.44 5.60 0.00 3.54 0.15 -1.21 -4.76 113.70 113.58 1d6t s SER 50 Ca 0.36 -0.46 0.19 0.00 0.70 0.00 0.00 55.95 56.74 1d6t s SER 50 Cb 0.02 -0.60 0.23 0.00 -1.71 0.00 0.00 66.02 63.96 1d6t s SER 50 CO 0.24 -0.79 1.17 2.29 1.20 0.00 0.00 173.24 177.35 1d6t n LYS 51 N -1.86 1.88 -0.00 5.44 2.85 -1.26 -4.14 118.16 121.06 1d6t n LYS 51 Ca 0.08 -1.80 0.05 0.00 -1.05 0.00 0.00 58.31 55.59 1d6t n LYS 51 Cb 0.59 -1.39 -0.07 0.00 -0.65 0.00 0.00 35.03 33.52 1d6t n LYS 51 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1d6t n LYS 52 N 1.11 1.93 0.00 -1.58 5.02 -1.26 -4.73 118.16 118.65 1d6t n LYS 52 Ca 0.13 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1d6t n LYS 52 Cb 0.49 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 1d6t n LYS 52 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1d6t n LEU 53 N -1.56 0.00 0.00 -0.35 7.94 -1.26 -4.94 117.00 116.83 1d6t n LEU 53 Ca -0.00 0.68 0.00 0.00 -1.11 0.00 0.00 56.01 55.58 1d6t n LEU 53 Cb 0.21 -0.28 0.00 0.00 0.53 0.00 0.00 43.42 43.89 1d6t n LEU 53 CO 0.21 -0.28 0.00 0.61 -1.11 0.00 0.00 177.39 176.82 1d6t n GLY 54 N -0.97 -0.80 4.03 -3.96 0.00 -1.26 -4.77 105.19 97.46 1d6t n GLY 54 Ca 0.00 0.56 -0.20 0.00 0.00 0.00 0.00 46.02 46.37 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 5.02 0.49 1.61 2.47 -1.26 -4.97 114.94 114.31 1d6t s ASN 55 Ca 0.00 -0.91 0.26 0.00 0.42 0.00 0.00 52.86 52.63 1d6t s ASN 55 Cb 0.00 0.38 1.25 0.00 -1.45 0.00 0.00 41.25 41.43 1d6t s ASN 55 CO 0.00 -1.36 1.97 0.00 -3.72 0.00 0.00 177.10 173.99 1d6t h ALA 56 N 0.20 1.16 0.00 1.71 0.00 -2.01 -1.22 119.26 119.10 1d6t h ALA 56 Ca -0.30 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1d6t h ALA 56 Cb 1.29 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1d6t h ALA 56 CO 0.42 0.20 -0.31 -0.24 0.00 0.00 0.00 179.25 179.33 1d6t h VAL 57 N 0.00 0.85 0.13 0.00 3.04 -1.98 -0.82 116.25 117.47 1d6t h VAL 57 Ca -0.00 -1.23 -0.22 0.00 -1.01 0.00 0.00 66.70 64.24 1d6t h VAL 57 Cb 0.50 1.75 0.01 0.00 -2.01 0.00 0.00 31.29 31.54 1d6t h VAL 57 CO 0.02 0.30 -1.01 -0.07 -1.01 0.00 0.00 177.57 175.80 1d6t h LEU 58 N 0.00 0.45 0.00 3.16 3.38 -1.61 -2.50 115.31 118.18 1d6t h LEU 58 Ca -0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1d6t h LEU 58 Cb 0.72 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1d6t h LEU 58 CO 0.04 1.47 0.00 -2.11 0.09 0.00 0.00 178.44 177.93 1d6t n ARG 59 N -4.06 0.30 -0.09 1.13 1.85 -0.85 -2.59 116.66 112.34 1d6t n ARG 59 Ca -0.17 0.10 -0.13 0.00 -1.00 0.00 0.00 57.85 56.64 1d6t n ARG 59 Cb 0.85 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.71 1d6t n ARG 59 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1d6t n ASN 60 N -1.25 1.89 -0.26 2.89 3.02 -0.33 -3.77 115.26 117.45 1d6t n ASN 60 Ca 0.09 0.45 0.07 0.00 -0.03 0.00 0.00 54.58 55.16 1d6t n ASN 60 Cb 0.14 -0.83 0.19 0.00 -0.61 0.00 0.00 39.78 38.66 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 -1.00 0.20 0.00 3.52 1.63 -1.40 2.68 116.57 122.19 1d6t h LYS 61 Ca -0.18 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.60 1d6t h LYS 61 Cb 1.00 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.58 1d6t h LYS 61 CO -0.11 0.13 -0.04 0.82 -3.45 0.00 0.00 179.45 176.80 1d6t h ILE 62 N 0.20 0.46 0.00 2.00 2.04 -1.71 0.57 117.51 121.07 1d6t h ILE 62 Ca 0.44 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 66.05 1d6t h ILE 62 Cb 0.78 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1d6t h ILE 62 CO -0.58 0.04 -0.64 0.11 0.00 0.00 0.00 178.15 177.08 1d6t h LYS 63 N 0.00 0.00 -0.00 2.37 1.57 0.32 -3.31 116.57 117.52 1d6t h LYS 63 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1d6t h LYS 63 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1d6t h LYS 63 CO 0.01 0.20 -0.12 0.00 -0.57 0.00 0.00 179.45 178.97 1d6t h ARG 64 N -1.00 -0.14 -1.41 3.15 3.08 0.38 1.86 114.38 120.29 1d6t h ARG 64 Ca -0.07 0.01 0.41 0.00 0.07 0.00 0.00 59.98 60.40 1d6t h ARG 64 Cb 0.65 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.67 1d6t h ARG 64 CO -0.04 -0.09 1.16 0.00 -1.07 0.00 0.00 179.97 179.93 1d6t h ALA 65 N -1.26 3.32 0.19 0.04 0.00 -1.08 2.40 119.26 122.87 1d6t h ALA 65 Ca 0.00 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.54 1d6t h ALA 65 Cb 0.15 0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.07 1d6t h ALA 65 CO -0.08 -1.89 -1.53 0.82 0.00 0.00 0.00 179.25 176.57 1d6t h ILE 66 N 0.00 1.11 0.00 0.00 5.03 -0.62 -2.78 117.51 120.24 1d6t h ILE 66 Ca 0.67 -2.55 0.00 0.00 -0.12 0.00 0.00 64.86 62.86 1d6t h ILE 66 Cb 2.99 2.88 0.00 0.00 -3.03 0.00 0.00 36.82 39.66 1d6t h ILE 66 CO -0.01 0.81 0.00 0.54 -0.68 0.00 0.00 178.15 178.81 1d6t n ARG 67 N -3.74 0.01 -0.05 2.37 5.12 0.75 -1.48 116.66 119.64 1d6t n ARG 67 Ca -0.22 0.23 -0.03 0.00 -1.93 0.00 0.00 57.85 55.91 1d6t n ARG 67 Cb 1.03 -1.50 -0.15 0.00 -1.16 0.00 0.00 32.46 30.68 1d6t n ARG 67 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1d6t n GLU 68 N -1.49 0.67 -0.01 5.56 0.00 0.19 -4.09 120.64 121.47 1d6t n GLU 68 Ca 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 57.16 57.20 1d6t n GLU 68 Cb 0.17 -1.59 -0.00 0.00 0.00 0.00 0.00 31.44 30.03 1d6t n GLU 68 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 1d6t h ASN 69 N 0.00 0.00 -1.16 4.31 -0.00 -1.11 -3.34 115.58 114.29 1d6t h ASN 69 Ca -0.34 0.00 0.34 0.00 -0.00 0.00 0.00 56.30 56.30 1d6t h ASN 69 Cb 1.83 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 40.10 1d6t h ASN 69 CO 0.03 0.08 1.23 -0.26 -0.00 0.00 0.00 177.43 178.50 1d6t h PHE 70 N -0.13 0.00 -0.20 0.67 0.04 -1.52 1.48 116.94 117.28 1d6t h PHE 70 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1d6t h PHE 70 Cb 0.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1d6t h PHE 70 CO -0.01 0.00 0.12 -0.22 -0.60 0.00 0.00 178.31 177.61 1d6t h LYS 71 N 0.00 0.27 0.09 1.51 1.63 -1.71 1.79 116.57 120.15 1d6t h LYS 71 Ca 0.55 -0.02 -0.24 0.00 -0.85 0.00 0.00 60.65 60.09 1d6t h LYS 71 Cb 3.00 -0.06 0.02 0.00 -0.60 0.00 0.00 32.23 34.60 1d6t h LYS 71 CO -0.01 0.22 -1.00 -0.39 -3.45 0.00 0.00 179.45 174.83 1d6t h VAL 72 N 0.25 1.36 0.00 2.00 -1.51 0.19 -3.04 116.25 115.50 1d6t h VAL 72 Ca 0.07 -2.38 0.00 0.00 -1.23 0.00 0.00 66.70 63.17 1d6t h VAL 72 Cb 0.02 2.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.95 1d6t h VAL 72 CO -0.01 0.71 0.00 1.41 -1.23 0.00 0.00 177.57 178.44 1d6t n HIS 73 N -3.97 0.00 -0.33 5.19 8.25 -0.27 -3.50 115.22 120.59 1d6t n HIS 73 Ca -0.13 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.40 1d6t n HIS 73 Cb 0.88 0.00 0.23 0.00 1.12 0.00 0.00 29.99 32.21 1d6t n HIS 73 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1d6t h LYS 74 N 0.00 0.82 -0.57 -0.41 3.11 0.29 0.79 116.57 120.60 1d6t h LYS 74 Ca 0.00 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1d6t h LYS 74 Cb 0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.04 1d6t h LYS 74 CO 0.00 0.54 0.00 0.45 -2.81 0.00 0.00 179.45 177.63 1d6t n SER 75 N -4.72 3.18 -0.00 4.20 2.88 -1.23 -3.68 113.62 114.26 1d6t n SER 75 Ca 0.18 -2.15 0.04 0.00 -1.33 0.00 0.00 58.87 55.61 1d6t n SER 75 Cb 0.38 -0.42 -0.05 0.00 -0.75 0.00 0.00 64.21 63.37 1d6t n SER 75 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1d6t n HIS 76 N 0.92 0.00 -3.31 0.66 8.25 0.22 -4.99 115.22 116.97 1d6t n HIS 76 Ca 0.18 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.28 1d6t n HIS 76 Cb 0.55 -0.15 -0.06 0.00 1.12 0.00 0.00 29.99 31.46 1d6t n HIS 76 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1d6t s ILE 77 N -2.42 4.79 0.29 1.59 1.09 0.16 -3.56 121.20 123.14 1d6t s ILE 77 Ca -0.02 1.01 0.09 0.00 -1.10 0.00 0.00 60.65 60.64 1d6t s ILE 77 Cb 0.05 -3.81 -0.04 0.00 -1.06 0.00 0.00 42.46 37.60 1d6t s ILE 77 CO 0.30 0.37 0.01 -1.48 -0.10 0.00 0.00 174.94 174.04 1d6t s LEU 78 N -1.61 3.15 0.19 2.97 -0.00 -1.22 -4.89 118.68 117.28 1d6t s LEU 78 Ca 0.34 -0.73 -0.32 0.00 -0.00 0.00 0.00 54.13 53.43 1d6t s LEU 78 Cb -0.17 -1.65 -0.11 0.00 -0.00 0.00 0.00 46.19 44.26 1d6t s LEU 78 CO 0.19 -0.07 1.70 0.00 -0.00 0.00 0.00 176.35 178.17 1d6t s ALA 79 N -2.37 3.90 0.00 1.48 0.00 -1.26 -4.26 121.76 119.24 1d6t s ALA 79 Ca 0.33 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.83 1d6t s ALA 79 Cb -0.05 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1d6t s ALA 79 CO 0.20 -0.92 0.00 0.36 0.00 0.00 0.00 175.76 175.40 1d6t n LYS 80 N 4.11 0.00 -1.44 0.00 2.85 -1.26 -4.38 118.16 118.04 1d6t n LYS 80 Ca 0.16 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.42 1d6t n LYS 80 Cb 0.36 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.74 1d6t n LYS 80 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1d6t n ASP 81 N 0.00 0.00 -3.98 -5.58 9.92 -1.24 -2.89 116.55 112.78 1d6t n ASP 81 Ca 0.00 0.74 -0.22 0.00 -0.53 0.00 0.00 54.79 54.78 1d6t n ASP 81 Cb 0.00 -1.11 -0.16 0.00 -0.64 0.00 0.00 41.12 39.21 1d6t n ASP 81 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1d6t s ILE 82 N 0.00 0.85 0.09 0.53 -1.16 -0.80 -2.86 121.20 117.85 1d6t s ILE 82 Ca 0.00 -0.33 -0.13 0.00 -0.51 0.00 0.00 60.65 59.68 1d6t s ILE 82 Cb 0.00 -0.79 0.02 0.00 0.61 0.00 0.00 42.46 42.29 1d6t s ILE 82 CO 0.00 0.28 0.30 -0.63 -2.81 0.00 0.00 174.94 172.08 1d6t s ILE 83 N 0.61 0.10 -0.12 2.00 1.01 -0.54 -2.64 121.20 121.61 1d6t s ILE 83 Ca -0.11 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 1d6t s ILE 83 Cb -0.13 -1.16 0.04 0.00 0.01 0.00 0.00 42.46 41.22 1d6t s ILE 83 CO 0.02 -0.45 0.03 0.68 0.00 0.00 0.00 174.94 175.22 1d6t s VAL 84 N -3.47 0.29 0.03 2.92 -7.23 -1.23 -1.69 120.40 110.01 1d6t s VAL 84 Ca 0.01 -0.11 0.02 0.00 -1.81 0.00 0.00 61.98 60.10 1d6t s VAL 84 Cb 0.02 -0.66 -0.04 0.00 0.56 0.00 0.00 36.38 36.27 1d6t s VAL 84 CO -0.09 0.00 0.01 -0.63 -0.31 0.00 0.00 175.10 174.09 1d6t s ILE 85 N 1.99 4.19 -0.31 -0.62 -1.09 0.44 -2.88 121.20 122.93 1d6t s ILE 85 Ca 0.03 -0.70 -0.19 0.00 -2.23 0.00 0.00 60.65 57.56 1d6t s ILE 85 Cb -0.14 -2.92 -0.01 0.00 -1.58 0.00 0.00 42.46 37.80 1d6t s ILE 85 CO -0.07 0.29 0.57 0.00 -1.23 0.00 0.00 174.94 174.51 1d6t s ALA 86 N -1.18 3.53 0.02 9.38 0.00 -0.71 -0.69 121.76 132.11 1d6t s ALA 86 Ca 0.22 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.41 1d6t s ALA 86 Cb -0.12 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1d6t s ALA 86 CO 0.14 -1.03 1.08 0.00 0.00 0.00 0.00 175.76 175.95 1d6t h ARG 87 N 8.22 -0.09 0.00 0.00 2.47 -1.52 -3.20 114.38 120.25 1d6t h ARG 87 Ca -0.28 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 1d6t h ARG 87 Cb 1.12 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1d6t h ARG 87 CO 0.77 -0.06 0.00 0.94 0.56 0.00 0.00 179.97 182.18 1d6t n GLN 88 N -2.94 0.00 0.00 0.04 7.27 -1.26 -4.66 117.38 115.83 1d6t n GLN 88 Ca -0.01 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.15 1d6t n GLN 88 Cb 0.06 0.00 0.54 0.00 2.41 0.00 0.00 30.24 33.25 1d6t n GLN 88 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1d6t n PRO 89 N 0.00 0.75 0.00 3.69 -0.04 -1.26 -2.79 135.00 135.35 1d6t n PRO 89 Ca 0.00 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 1d6t n PRO 89 Cb 0.00 -1.38 0.69 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.88 2.35 -0.07 0.55 0.00 -1.26 -2.88 120.51 118.32 1d6t n ALA 90 Ca 0.14 -0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 1d6t n ALA 90 Cb 0.06 -1.40 0.15 0.00 0.00 0.00 0.00 19.45 18.26 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 0.71 0.00 0.00 2.10 -1.82 -1.56 116.57 116.00 1d6t h LYS 91 Ca 0.00 -0.24 -0.01 0.00 -2.00 0.00 0.00 60.65 58.40 1d6t h LYS 91 Cb 0.08 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.35 1d6t h LYS 91 CO 0.00 0.82 -0.04 0.38 -2.00 0.00 0.00 179.45 178.61 1d6t h ASP 92 N 0.64 0.00 -3.82 7.07 3.04 -1.82 -3.43 116.42 118.10 1d6t h ASP 92 Ca 0.11 0.00 -0.47 0.00 -3.24 0.00 0.00 57.03 53.43 1d6t h ASP 92 Cb 0.60 0.00 0.17 0.00 -1.04 0.00 0.00 39.33 39.06 1d6t h ASP 92 CO 0.04 0.04 0.17 -0.04 -2.04 0.00 0.00 179.24 177.40 1d6t s MET 93 N -4.35 0.40 0.34 4.15 1.00 -0.59 -5.07 119.30 115.19 1d6t s MET 93 Ca -0.04 0.80 0.05 0.00 0.00 0.00 0.00 55.69 56.50 1d6t s MET 93 Cb 0.14 -1.71 -0.02 0.00 0.00 0.00 0.00 34.83 33.24 1d6t s MET 93 CO 0.53 -2.82 0.17 0.25 0.00 0.00 0.00 175.02 173.15 1d6t n THR 94 N -4.28 0.00 0.06 2.05 -2.24 -1.26 -4.85 114.28 103.75 1d6t n THR 94 Ca 0.06 -2.15 0.01 0.00 -2.27 0.00 0.00 64.05 59.70 1d6t n THR 94 Cb 0.55 0.88 0.03 0.00 -2.10 0.00 0.00 70.33 69.69 1d6t n THR 94 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1d6t n THR 95 N -0.73 1.57 -0.12 4.28 -1.04 -1.26 0.18 114.28 117.16 1d6t n THR 95 Ca -0.01 0.39 -0.22 0.00 -2.04 0.00 0.00 64.05 62.17 1d6t n THR 95 Cb 0.55 -1.37 -0.12 0.00 -1.82 0.00 0.00 70.33 67.57 1d6t n THR 95 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1d6t n LEU 96 N -1.41 2.59 -0.03 -4.42 -0.00 -1.26 -4.16 117.00 108.31 1d6t n LEU 96 Ca 0.00 0.07 -0.16 0.00 -0.00 0.00 0.00 56.01 55.92 1d6t n LEU 96 Cb 0.01 -0.91 -0.13 0.00 -0.00 0.00 0.00 43.42 42.39 1d6t n LEU 96 CO 0.01 0.79 0.29 1.56 -0.00 0.00 0.00 177.39 180.05 1d6t h GLN 97 N -0.33 0.10 -1.00 1.96 4.20 -1.56 -2.92 115.11 115.57 1d6t h GLN 97 Ca -0.59 -0.16 0.31 0.00 0.06 0.00 0.00 58.65 58.27 1d6t h GLN 97 Cb 1.80 0.06 -0.15 0.00 0.30 0.00 0.00 27.48 29.50 1d6t h GLN 97 CO -0.17 1.06 0.56 0.82 -0.67 0.00 0.00 178.83 180.43 1d6t h ILE 98 N -0.77 0.32 -0.13 2.54 2.04 0.16 1.45 117.51 123.12 1d6t h ILE 98 Ca -0.04 -0.12 -0.17 0.00 1.00 0.00 0.00 64.86 65.53 1d6t h ILE 98 Cb 1.18 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1d6t h ILE 98 CO 0.05 0.06 -0.64 1.56 0.00 0.00 0.00 178.15 179.18 1d6t h GLN 99 N 0.34 0.49 0.00 2.37 4.20 -1.72 -2.44 115.11 118.36 1d6t h GLN 99 Ca 0.72 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 59.08 1d6t h GLN 99 Cb 1.61 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.45 1d6t h GLN 99 CO -0.60 0.97 0.00 0.09 -0.67 0.00 0.00 178.83 178.62 1d6t n ASN 100 N -3.90 0.00 -0.03 1.46 3.02 0.47 -2.74 115.26 113.54 1d6t n ASN 100 Ca -0.04 0.07 -0.16 0.00 -0.03 0.00 0.00 54.58 54.42 1d6t n ASN 100 Cb 0.65 -0.31 -0.13 0.00 -0.61 0.00 0.00 39.78 39.39 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 0.19 0.21 6.41 0.02 -0.16 -3.16 113.55 117.06 1d6t h SER 101 Ca 0.00 -0.89 0.00 0.00 -0.84 0.00 0.00 61.79 60.06 1d6t h SER 101 Cb 0.19 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1d6t h SER 101 CO 0.00 1.06 0.00 -0.07 -1.14 0.00 0.00 176.83 176.68 1d6t h LEU 102 N -0.66 0.00 0.00 5.07 4.07 -1.57 0.59 115.31 122.82 1d6t h LEU 102 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1d6t h LEU 102 Cb 1.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.87 1d6t h LEU 102 CO 0.05 0.00 0.00 -0.62 -1.08 0.00 0.00 178.44 176.79 1d6t n GLU 103 N -2.62 0.39 0.00 1.13 1.02 -1.19 -2.46 120.64 116.91 1d6t n GLU 103 Ca -0.01 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1d6t n GLU 103 Cb 0.10 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 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 -1.13 0.00 -0.38 -0.32 -0.00 0.12 -4.56 115.22 108.96 1d6t n HIS 104 Ca 0.10 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.29 1d6t n HIS 104 Cb 0.09 0.09 0.07 0.00 -0.12 0.00 0.00 29.99 30.12 1d6t n HIS 104 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 1d6t n VAL 105 N -1.36 -0.50 -0.18 3.57 3.14 -0.72 0.15 118.33 122.43 1d6t n VAL 105 Ca 0.00 2.33 -0.08 0.00 -2.96 0.00 0.00 64.34 63.62 1d6t n VAL 105 Cb 0.00 -3.11 0.01 0.00 -1.06 0.00 0.00 33.84 29.68 1d6t n VAL 105 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 1d6t h LEU 106 N 0.00 0.76 -1.89 6.55 5.85 -1.68 0.10 115.31 125.00 1d6t h LEU 106 Ca 0.38 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1d6t h LEU 106 Cb 0.63 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1d6t h LEU 106 CO -1.00 0.77 0.05 0.50 -0.34 0.00 0.00 178.44 178.42 1d6t h LYS 107 N 0.72 0.00 0.02 1.25 3.64 0.18 0.14 116.57 122.51 1d6t h LYS 107 Ca 0.17 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.19 1d6t h LYS 107 Cb 0.28 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1d6t h LYS 107 CO -0.00 0.00 -2.19 -0.89 -2.27 0.00 0.00 179.45 174.10 1d6t n ILE 108 N -2.53 1.52 -0.29 2.00 5.41 0.18 -4.17 119.36 121.48 1d6t n ILE 108 Ca -0.02 -0.76 0.17 0.00 1.00 0.00 0.00 62.75 63.14 1d6t n ILE 108 Cb 0.09 -0.96 0.44 0.00 -0.71 0.00 0.00 39.64 38.50 1d6t n ILE 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1d6t h ALA 109 N 0.68 2.01 0.00 -1.39 0.00 0.17 -3.45 119.26 117.28 1d6t h ALA 109 Ca -0.47 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1d6t h ALA 109 Cb 2.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1d6t h ALA 109 CO 0.03 -0.34 0.00 1.17 0.00 0.00 0.00 179.25 180.11 1d6t n LYS 110 N -4.61 0.00 -0.52 0.00 3.00 -1.07 -4.91 118.16 110.06 1d6t n LYS 110 Ca 0.21 0.18 -0.01 0.00 -0.00 0.00 0.00 58.31 58.69 1d6t n LYS 110 Cb 0.67 -2.32 0.17 0.00 0.00 0.00 0.00 35.03 33.55 1d6t n LYS 110 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1d6t n VAL 111 N -2.70 1.66 -4.31 3.15 0.24 -1.26 -4.78 118.33 110.34 1d6t n VAL 111 Ca 0.00 -0.81 -0.28 0.00 -2.04 0.00 0.00 64.34 61.21 1d6t n VAL 111 Cb 0.12 -0.50 -0.17 0.00 -1.47 0.00 0.00 33.84 31.83 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 -1.85 1.80 0.50 6.34 0.08 -1.26 -3.45 117.98 120.14 1d6t s PHE 112 Ca 0.29 -0.85 0.26 0.00 0.12 0.00 0.00 56.93 56.74 1d6t s PHE 112 Cb 0.23 -1.34 1.34 0.00 -0.57 0.00 0.00 43.02 42.68 1d6t s PHE 112 CO 0.07 -0.47 1.91 -0.91 -0.10 0.00 0.00 175.22 175.72 1d6t h ASN 113 N 7.58 0.12 0.00 1.36 2.35 -1.86 -3.39 115.58 121.74 1d6t h ASN 113 Ca -0.32 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1d6t h ASN 113 Cb 1.16 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1d6t h ASN 113 CO 0.47 0.05 0.00 0.29 -1.65 0.00 0.00 177.43 176.60 1d6t n LYS 114 N -4.37 0.00 -0.35 0.81 4.76 -1.26 -5.13 118.16 112.63 1d6t n LYS 114 Ca 0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 1d6t n LYS 114 Cb 0.78 -0.04 0.00 0.00 -1.84 0.00 0.00 35.03 33.94 1d6t n LYS 114 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1d6t n LYS 115 N -1.82 0.00 -1.29 1.97 4.81 -1.26 -5.06 118.16 115.50 1d6t n LYS 115 Ca 0.00 0.12 -0.32 0.00 -0.87 0.00 0.00 58.31 57.24 1d6t n LYS 115 Cb 0.00 -0.23 0.10 0.00 0.02 0.00 0.00 35.03 34.91 1d6t n LYS 115 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1d6t s ILE 116 N 0.00 2.87 -2.85 3.15 1.01 -1.26 -5.19 121.20 118.94 1d6t s ILE 116 Ca 0.00 0.34 0.23 0.00 0.00 0.00 0.00 60.65 61.21 1d6t s ILE 116 Cb 0.00 -2.75 0.18 0.00 0.01 0.00 0.00 42.46 39.90 1d6t s ILE 116 CO 0.00 -0.32 1.22 0.29 0.00 0.00 0.00 174.94 176.13