#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d6t h LEU 2 N 0.00 -0.23 0.00 4.03 6.46 -2.10 -3.45 115.31 120.03 1d6t h LEU 2 Ca 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1d6t h LEU 2 Cb 0.00 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 39.99 1d6t h LEU 2 CO 0.00 -0.13 0.00 -0.11 -0.62 0.00 0.00 178.44 177.58 1d6t n LEU 3 N -2.90 0.00 0.00 2.25 0.00 -1.26 -5.08 117.00 110.01 1d6t n LEU 3 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.98 1d6t n LEU 3 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.53 1d6t n LEU 3 CO 0.08 -0.68 0.00 1.21 0.00 0.00 0.00 177.39 178.00 1d6t n GLU 4 N -0.49 1.36 0.00 1.96 2.13 -1.26 -4.90 120.64 119.44 1d6t n GLU 4 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1d6t n GLU 4 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 0.00 -1.26 5.31 2.85 -1.26 -4.73 118.16 119.07 1d6t n LYS 5 Ca 0.00 0.38 -0.07 0.00 -1.05 0.00 0.00 58.31 57.56 1d6t n LYS 5 Cb 0.00 -1.51 -0.03 0.00 -0.65 0.00 0.00 35.03 32.84 1d6t n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1d6t n ALA 6 N -1.37 -0.12 -1.60 0.58 0.00 -1.26 -2.43 120.51 114.31 1d6t n ALA 6 Ca 0.00 0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.39 1d6t n ALA 6 Cb 0.01 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 1d6t n ALA 6 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1d6t n TYR 7 N -2.85 -0.10 -2.44 0.00 4.01 -1.26 -4.79 117.16 109.74 1d6t n TYR 7 Ca -0.07 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.29 1d6t n TYR 7 Cb 0.26 -3.01 -0.03 0.00 -0.31 0.00 0.00 39.34 36.25 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 -3.62 4.19 -0.07 -0.72 3.52 -1.02 0.13 118.95 121.36 1d6t s ARG 8 Ca 0.00 1.67 -0.00 0.00 -0.13 0.00 0.00 55.73 57.27 1d6t s ARG 8 Cb 0.00 -2.69 0.03 0.00 -1.56 0.00 0.00 34.95 30.73 1d6t s ARG 8 CO 0.00 -0.15 -0.03 0.42 -0.81 0.00 0.00 175.30 174.73 1d6t s ILE 9 N -1.49 0.54 0.38 4.11 1.01 -1.26 -4.81 121.20 119.68 1d6t s ILE 9 Ca 0.55 -0.03 0.28 0.00 0.00 0.00 0.00 60.65 61.46 1d6t s ILE 9 Cb -0.27 -0.63 0.43 0.00 0.01 0.00 0.00 42.46 42.00 1d6t s ILE 9 CO 0.34 0.27 1.34 1.17 0.00 0.00 0.00 174.94 178.06 1d6t n LYS 10 N 4.75 -0.03 0.00 2.79 4.81 -1.26 -4.67 118.16 124.55 1d6t n LYS 10 Ca -0.14 1.08 0.00 0.00 -0.87 0.00 0.00 58.31 58.38 1d6t n LYS 10 Cb 0.50 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.43 1d6t n LYS 10 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1d6t n LYS 11 N -4.42 0.00 0.00 1.64 2.85 -1.26 -4.86 118.16 112.11 1d6t n LYS 11 Ca 0.35 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.61 1d6t n LYS 11 Cb 1.35 -0.58 0.00 0.00 -0.65 0.00 0.00 35.03 35.15 1d6t n LYS 11 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1d6t n ASN 12 N 0.00 0.00 -0.33 -5.58 3.02 -1.26 -4.41 115.26 106.69 1d6t n ASN 12 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.64 1d6t n ASN 12 Cb 0.00 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.43 1d6t n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1d6t h ALA 13 N 0.08 1.47 0.00 5.41 0.00 -1.98 1.38 119.26 125.61 1d6t h ALA 13 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1d6t h ALA 13 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1d6t h ALA 13 CO 0.00 0.01 -0.10 -0.44 0.00 0.00 0.00 179.25 178.72 1d6t h ASP 14 N 0.77 0.00 0.20 0.00 5.19 -1.91 0.17 116.42 120.84 1d6t h ASP 14 Ca 0.51 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.57 1d6t h ASP 14 Cb 0.69 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.18 1d6t h ASP 14 CO -0.34 0.10 -1.91 -0.26 -3.12 0.00 0.00 179.24 173.70 1d6t h PHE 15 N 0.00 0.43 -0.32 4.55 -1.00 0.81 -3.36 116.94 118.05 1d6t h PHE 15 Ca -0.00 -0.31 -0.05 0.00 2.81 0.00 0.00 57.97 60.42 1d6t h PHE 15 Cb 0.25 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 1d6t h PHE 15 CO 0.00 1.64 0.02 1.96 -1.61 0.00 0.00 178.31 180.32 1d6t h GLN 16 N 0.06 0.55 -0.11 1.51 4.20 0.18 -2.02 115.11 119.48 1d6t h GLN 16 Ca -0.39 -0.16 0.03 0.00 0.06 0.00 0.00 58.65 58.19 1d6t h GLN 16 Cb 2.04 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.76 1d6t h GLN 16 CO 0.10 0.67 0.35 -0.09 -0.67 0.00 0.00 178.83 179.18 1d6t h ARG 17 N 0.36 0.00 0.00 1.46 9.65 -0.85 0.78 114.38 125.78 1d6t h ARG 17 Ca 0.09 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1d6t h ARG 17 Cb 0.40 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1d6t h ARG 17 CO 0.01 0.00 -0.24 0.82 2.80 0.00 0.00 179.97 183.36 1d6t h ILE 18 N 0.00 0.03 0.00 1.20 1.08 -1.53 -3.34 117.51 114.95 1d6t h ILE 18 Ca 0.05 -1.03 0.00 0.00 -0.39 0.00 0.00 64.86 63.50 1d6t h ILE 18 Cb 0.75 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.56 1d6t h ILE 18 CO -0.00 0.01 0.00 -1.22 -0.69 0.00 0.00 178.15 176.25 1d6t n TYR 19 N -4.70 0.63 0.00 1.37 4.02 -0.70 0.78 117.16 118.56 1d6t n TYR 19 Ca -0.04 0.31 0.00 0.00 -0.01 0.00 0.00 57.90 58.17 1d6t n TYR 19 Cb 0.13 -1.00 0.00 0.00 -0.02 0.00 0.00 39.34 38.45 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 -2.14 0.00 -0.07 -0.72 3.00 0.26 -4.44 118.16 114.06 1d6t n LYS 20 Ca -0.01 0.15 0.02 0.00 -0.00 0.00 0.00 58.31 58.47 1d6t n LYS 20 Cb 0.06 -1.02 0.03 0.00 0.00 0.00 0.00 35.03 34.09 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 -0.70 1.57 -0.59 1.64 4.81 -1.22 -5.07 118.16 118.61 1d6t n LYS 21 Ca 0.00 -1.38 -0.27 0.00 -0.87 0.00 0.00 58.31 55.79 1d6t n LYS 21 Cb 0.00 -0.91 0.24 0.00 0.02 0.00 0.00 35.03 34.38 1d6t n LYS 21 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1d6t n GLY 22 N -0.49 -3.30 3.10 3.14 0.00 0.23 -5.02 105.19 102.86 1d6t n GLY 22 Ca 0.03 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.39 3.29 0.01 1.61 2.46 0.24 -4.92 115.29 115.58 1d6t s HIS 23 Ca 0.61 -2.19 -0.14 0.00 0.47 0.00 0.00 55.06 53.81 1d6t s HIS 23 Cb -0.08 -2.04 -0.06 0.00 -0.13 0.00 0.00 32.58 30.28 1d6t s HIS 23 CO 0.49 -0.86 0.39 -1.54 -2.47 0.00 0.00 174.74 170.75 1d6t s SER 24 N 1.15 6.76 -0.08 9.88 1.04 -1.26 -1.95 113.70 129.25 1d6t s SER 24 Ca -0.07 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.27 1d6t s SER 24 Cb -0.20 -2.23 0.02 0.00 0.10 0.00 0.00 66.02 63.71 1d6t s SER 24 CO -0.04 0.31 -0.06 0.68 0.98 0.00 0.00 173.24 175.11 1d6t s VAL 25 N -1.13 0.76 -0.10 5.02 -7.23 -0.72 -4.99 120.40 112.01 1d6t s VAL 25 Ca 0.25 -0.18 0.04 0.00 -1.81 0.00 0.00 61.98 60.27 1d6t s VAL 25 Cb -0.16 -0.79 -0.00 0.00 0.56 0.00 0.00 36.38 35.99 1d6t s VAL 25 CO 0.13 0.30 -0.23 0.00 -0.31 0.00 0.00 175.10 175.00 1d6t s ALA 26 N 1.36 2.23 0.00 1.32 0.00 -1.26 -0.76 121.76 124.65 1d6t s ALA 26 Ca -0.03 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1d6t s ALA 26 Cb -0.14 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1d6t s ALA 26 CO -0.03 0.30 0.00 -1.71 0.00 0.00 0.00 175.76 174.32 1d6t n ASN 27 N 3.45 0.00 -0.03 0.00 2.85 -0.21 -4.98 115.26 116.35 1d6t n ASN 27 Ca -0.19 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.20 1d6t n ASN 27 Cb 0.53 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.52 1d6t n ASN 27 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1d6t n ARG 28 N 0.00 0.23 -0.14 1.20 0.63 -1.26 -4.84 116.66 112.48 1d6t n ARG 28 Ca 0.00 0.10 0.02 0.00 -0.92 0.00 0.00 57.85 57.04 1d6t n ARG 28 Cb 0.00 -0.90 0.02 0.00 0.45 0.00 0.00 32.46 32.03 1d6t n ARG 28 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1d6t n GLN 29 N -3.73 0.88 -4.67 -0.14 3.00 -1.26 -4.96 117.38 106.49 1d6t n GLN 29 Ca -0.14 -1.18 -0.26 0.00 -0.01 0.00 0.00 57.00 55.41 1d6t n GLN 29 Cb 0.42 -0.77 -0.14 0.00 0.00 0.00 0.00 30.24 29.75 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 -0.68 1.92 -0.13 1.08 2.19 -1.26 -2.55 117.98 118.54 1d6t s PHE 30 Ca 0.05 -0.38 -0.03 0.00 0.33 0.00 0.00 56.93 56.90 1d6t s PHE 30 Cb 0.04 -1.14 0.05 0.00 -1.31 0.00 0.00 43.02 40.66 1d6t s PHE 30 CO 0.00 0.11 0.05 0.54 1.83 0.00 0.00 175.22 177.75 1d6t s VAL 31 N -0.82 0.22 -0.27 3.12 0.11 -0.83 -1.04 120.40 120.89 1d6t s VAL 31 Ca 0.08 -0.13 -0.03 0.00 -2.93 0.00 0.00 61.98 58.98 1d6t s VAL 31 Cb -0.09 -0.65 0.03 0.00 -1.53 0.00 0.00 36.38 34.14 1d6t s VAL 31 CO 0.02 -0.05 -0.02 0.68 -3.33 0.00 0.00 175.10 172.40 1d6t s VAL 32 N 2.01 3.16 -0.05 2.04 -7.23 0.06 0.37 120.40 120.77 1d6t s VAL 32 Ca 0.02 -0.99 -0.15 0.00 -1.81 0.00 0.00 61.98 59.05 1d6t s VAL 32 Cb -0.15 -2.64 -0.05 0.00 0.56 0.00 0.00 36.38 34.10 1d6t s VAL 32 CO -0.07 0.12 0.39 -0.31 -0.31 0.00 0.00 175.10 174.92 1d6t s TYR 33 N 1.36 3.65 0.12 2.82 1.51 -0.60 -1.75 117.35 124.46 1d6t s TYR 33 Ca -0.00 0.89 0.01 0.00 -1.01 0.00 0.00 57.07 56.96 1d6t s TYR 33 Cb -0.17 -2.32 -0.04 0.00 -0.11 0.00 0.00 41.96 39.32 1d6t s TYR 33 CO -0.02 0.52 -0.01 0.95 -1.11 0.00 0.00 175.55 175.88 1d6t s THR 34 N -0.59 0.47 -0.28 -0.71 -4.23 -0.82 -1.43 115.64 108.05 1d6t s THR 34 Ca 0.23 -1.92 -0.17 0.00 -1.18 0.00 0.00 61.69 58.64 1d6t s THR 34 Cb -0.16 -1.88 0.10 0.00 1.34 0.00 0.00 72.50 71.90 1d6t s THR 34 CO 0.11 -0.67 0.77 0.00 -0.54 0.00 0.00 174.62 174.30 1d6t s ASN 36 N 1.40 4.88 1.01 0.00 -0.87 -1.26 -4.05 114.94 116.05 1d6t s ASN 36 Ca -0.08 -0.94 -0.10 0.00 -1.57 0.00 0.00 52.86 50.17 1d6t s ASN 36 Cb -0.05 -2.57 0.16 0.00 -0.02 0.00 0.00 41.25 38.77 1d6t s ASN 36 CO -0.16 -3.08 0.36 -0.46 -2.57 0.00 0.00 177.10 171.18 1d6t n ASN 37 N 14.90 -2.67 -3.22 -1.22 0.23 -1.26 -4.64 115.26 117.38 1d6t n ASN 37 Ca 0.42 -0.36 -0.27 0.00 -0.53 0.00 0.00 54.58 53.84 1d6t n ASN 37 Cb 0.46 -0.48 -0.02 0.00 -2.08 0.00 0.00 39.78 37.66 1d6t n ASN 37 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1d6t n LYS 38 N -2.58 2.57 -2.89 -3.83 3.00 -1.26 -4.60 118.16 108.56 1d6t n LYS 38 Ca 0.06 -1.69 -0.01 0.00 -0.00 0.00 0.00 58.31 56.67 1d6t n LYS 38 Cb 0.25 -2.56 -0.01 0.00 0.00 0.00 0.00 35.03 32.71 1d6t n LYS 38 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1d6t n GLU 39 N 4.05 -2.41 0.00 1.64 2.13 -1.26 -5.03 120.64 119.76 1d6t n GLU 39 Ca 0.55 2.09 0.00 0.00 0.66 0.00 0.00 57.16 60.45 1d6t n GLU 39 Cb 0.16 -3.35 0.00 0.00 0.27 0.00 0.00 31.44 28.52 1d6t n GLU 39 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1d6t n ILE 40 N 1.32 0.00 0.00 6.31 0.13 -1.26 -5.07 119.36 120.80 1d6t n ILE 40 Ca -0.08 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.57 1d6t n ILE 40 Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.07 1d6t n ILE 40 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 1d6t n ASP 41 N 0.00 0.00 -4.18 9.51 8.00 -1.26 -5.06 116.55 123.56 1d6t n ASP 41 Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.23 1d6t n ASP 41 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 40.94 1d6t n ASP 41 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1d6t s HIS 42 N -0.09 1.89 1.31 1.24 3.76 -1.26 -4.13 115.29 118.01 1d6t s HIS 42 Ca 0.00 -0.52 -0.18 0.00 -0.15 0.00 0.00 55.06 54.20 1d6t s HIS 42 Cb 0.00 -1.26 0.32 0.00 1.11 0.00 0.00 32.58 32.75 1d6t s HIS 42 CO 0.00 -0.16 0.84 1.97 -0.85 0.00 0.00 174.74 176.54 1d6t n PHE 43 N 3.02 -2.52 -4.29 1.40 -1.74 -1.25 -4.11 117.46 107.97 1d6t n PHE 43 Ca -0.18 -0.44 -0.15 0.00 -0.56 0.00 0.00 57.45 56.12 1d6t n PHE 43 Cb 0.53 -1.50 -0.10 0.00 1.52 0.00 0.00 39.48 39.92 1d6t n PHE 43 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1d6t s ARG 44 N -4.56 1.20 -0.31 3.97 3.00 -1.25 -4.07 118.95 116.93 1d6t s ARG 44 Ca 0.65 -1.57 0.03 0.00 0.00 0.00 0.00 55.73 54.84 1d6t s ARG 44 Cb -0.18 -0.56 0.16 0.00 0.00 0.00 0.00 34.95 34.37 1d6t s ARG 44 CO 0.60 -0.04 0.43 -0.51 0.00 0.00 0.00 175.30 175.79 1d6t s LEU 45 N -3.24 -0.81 -0.17 2.53 1.43 0.34 -4.09 118.68 114.68 1d6t s LEU 45 Ca 0.23 -0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 1d6t s LEU 45 Cb 0.05 1.17 -0.07 0.00 0.03 0.00 0.00 46.19 47.36 1d6t s LEU 45 CO 0.05 -0.32 -0.13 0.61 0.23 0.00 0.00 176.35 176.79 1d6t n GLY 46 N 5.15 -0.86 1.32 -3.19 0.00 -1.24 -4.36 105.19 102.01 1d6t n GLY 46 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.54 -5.32 -4.21 -0.61 -0.00 -1.26 -4.94 119.36 98.48 1d6t n ILE 47 Ca -0.16 0.93 -0.14 0.00 -0.00 0.00 0.00 62.75 63.38 1d6t n ILE 47 Cb 0.42 -3.77 -0.09 0.00 -0.00 0.00 0.00 39.64 36.20 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 -0.17 0.66 0.00 4.38 0.01 -0.29 -4.97 113.70 113.32 1d6t s SER 48 Ca 0.00 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 55.77 1d6t s SER 48 Cb 0.00 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.69 1d6t s SER 48 CO 0.00 -0.94 0.00 0.52 0.41 0.00 0.00 173.24 173.23 1d6t n VAL 49 N -0.40 0.00 -3.14 3.43 0.31 -1.26 -1.77 118.33 115.50 1d6t n VAL 49 Ca 0.04 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.18 1d6t n VAL 49 Cb 0.64 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.59 1d6t n VAL 49 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1d6t s SER 50 N 1.00 5.40 0.00 4.52 0.15 -1.07 -4.24 113.70 119.47 1d6t s SER 50 Ca 0.00 -0.59 0.30 0.00 0.70 0.00 0.00 55.95 56.36 1d6t s SER 50 Cb 0.00 -0.41 1.48 0.00 -1.71 0.00 0.00 66.02 65.38 1d6t s SER 50 CO 0.00 -0.87 2.00 0.29 1.20 0.00 0.00 173.24 175.86 1d6t n LYS 51 N -1.88 0.79 -0.00 5.44 5.02 -1.26 -3.04 118.16 123.23 1d6t n LYS 51 Ca 0.08 -0.17 0.05 0.00 -2.02 0.00 0.00 58.31 56.25 1d6t n LYS 51 Cb 0.60 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.05 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 -0.96 0.49 0.00 1.97 4.76 -1.26 -4.89 118.16 118.28 1d6t n LYS 52 Ca 0.17 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1d6t n LYS 52 Cb 0.23 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 1d6t n LYS 52 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1d6t n LEU 53 N -1.78 0.00 -3.27 -0.35 4.77 -1.17 -4.97 117.00 110.23 1d6t n LEU 53 Ca -0.01 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.81 1d6t n LEU 53 Cb 0.23 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1d6t n LEU 53 CO 0.19 0.00 -0.39 0.61 -1.33 0.00 0.00 177.39 176.47 1d6t n GLY 54 N 4.04 -0.28 0.00 -0.72 0.00 -1.24 -4.98 105.19 102.00 1d6t n GLY 54 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1d6t n GLY 54 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1d6t n ASN 55 N 0.61 0.00 -0.00 1.61 5.15 -1.26 -5.05 115.26 116.32 1d6t n ASN 55 Ca -0.03 -0.51 0.02 0.00 -0.60 0.00 0.00 54.58 53.46 1d6t n ASN 55 Cb 0.54 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.76 1d6t n ASN 55 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1d6t n ALA 56 N -3.00 2.13 0.03 5.20 0.00 -1.26 -3.77 120.51 119.85 1d6t n ALA 56 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 1d6t n ALA 56 Cb 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 19.45 19.19 1d6t n ALA 56 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1d6t h VAL 57 N 0.00 1.17 0.10 0.00 3.04 -1.98 -3.09 116.25 115.49 1d6t h VAL 57 Ca -0.00 -2.91 -0.30 0.00 -1.01 0.00 0.00 66.70 62.48 1d6t h VAL 57 Cb 0.20 2.65 -0.01 0.00 -2.01 0.00 0.00 31.29 32.11 1d6t h VAL 57 CO 0.00 0.75 -1.59 0.17 -1.01 0.00 0.00 177.57 175.88 1d6t h LEU 58 N 0.03 0.33 0.00 3.16 8.10 -1.93 -3.29 115.31 121.70 1d6t h LEU 58 Ca -0.21 -0.82 0.00 0.00 0.11 0.00 0.00 57.88 56.96 1d6t h LEU 58 Cb 1.95 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 42.06 1d6t h LEU 58 CO 0.12 1.68 0.00 0.54 -4.11 0.00 0.00 178.44 176.67 1d6t n ARG 59 N -3.86 0.11 0.04 0.17 1.74 -1.25 0.19 116.66 113.79 1d6t n ARG 59 Ca -0.29 0.23 0.11 0.00 -0.77 0.00 0.00 57.85 57.13 1d6t n ARG 59 Cb 0.91 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.79 1d6t n ARG 59 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1d6t n ASN 60 N -1.33 0.46 -0.00 0.55 3.02 -1.17 -1.62 115.26 115.18 1d6t n ASN 60 Ca 0.04 0.05 0.02 0.00 -0.03 0.00 0.00 54.58 54.66 1d6t n ASN 60 Cb 0.08 1.16 -0.03 0.00 -0.61 0.00 0.00 39.78 40.38 1d6t n ASN 60 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1d6t n LYS 61 N -2.33 4.27 -0.06 3.52 3.00 0.27 -3.79 118.16 123.04 1d6t n LYS 61 Ca -0.01 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.31 58.22 1d6t n LYS 61 Cb 0.53 -0.82 -0.09 0.00 0.00 0.00 0.00 35.03 34.65 1d6t n LYS 61 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1d6t n ILE 62 N -1.23 0.82 1.06 3.15 5.41 0.49 -4.17 119.36 124.89 1d6t n ILE 62 Ca 0.01 -0.48 0.12 0.00 1.00 0.00 0.00 62.75 63.39 1d6t n ILE 62 Cb 0.09 -0.73 0.09 0.00 -0.71 0.00 0.00 39.64 38.38 1d6t n ILE 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1d6t n LYS 63 N -2.51 1.09 -0.09 0.38 4.81 -0.64 -3.67 118.16 117.53 1d6t n LYS 63 Ca -0.20 -0.85 -0.18 0.00 -0.87 0.00 0.00 58.31 56.21 1d6t n LYS 63 Cb 0.87 -1.48 -0.11 0.00 0.02 0.00 0.00 35.03 34.33 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 2.07 0.00 0.00 1.64 2.43 -1.65 -3.16 114.38 115.71 1d6t h ARG 64 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1d6t h ARG 64 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1d6t h ARG 64 CO 0.00 0.92 0.00 0.00 -1.51 0.00 0.00 179.97 179.38 1d6t h ALA 65 N -0.39 1.00 0.01 2.80 0.00 -1.75 0.10 119.26 121.03 1d6t h ALA 65 Ca -0.23 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.48 1d6t h ALA 65 Cb 1.15 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1d6t h ALA 65 CO -0.14 0.00 -0.98 0.82 0.00 0.00 0.00 179.25 178.95 1d6t h ILE 66 N 0.00 1.68 -0.48 0.00 2.04 -1.68 -3.02 117.51 116.06 1d6t h ILE 66 Ca 0.00 -3.29 0.00 0.00 1.00 0.00 0.00 64.86 62.57 1d6t h ILE 66 Cb 0.42 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 1d6t h ILE 66 CO 0.00 0.94 0.00 -1.14 0.00 0.00 0.00 178.15 177.95 1d6t n ARG 67 N -3.40 2.92 0.00 2.37 0.63 -0.72 -3.74 116.66 114.72 1d6t n ARG 67 Ca -0.01 -2.36 0.03 0.00 -0.92 0.00 0.00 57.85 54.59 1d6t n ARG 67 Cb 0.92 -1.45 0.02 0.00 0.45 0.00 0.00 32.46 32.39 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 0.82 0.08 0.03 -0.14 -0.58 0.28 -4.51 120.64 116.62 1d6t n GLU 68 Ca 0.17 -0.76 -0.00 0.00 -0.42 0.00 0.00 57.16 56.15 1d6t n GLU 68 Cb 0.56 -1.07 -0.00 0.00 -0.57 0.00 0.00 31.44 30.35 1d6t n GLU 68 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1d6t n ASN 69 N 0.20 0.97 0.28 1.62 4.13 -1.14 -4.66 115.26 116.66 1d6t n ASN 69 Ca 0.03 0.13 0.10 0.00 1.68 0.00 0.00 54.58 56.51 1d6t n ASN 69 Cb 0.12 -0.31 0.52 0.00 -1.54 0.00 0.00 39.78 38.58 1d6t n ASN 69 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1d6t h PHE 70 N -0.05 0.00 -0.35 3.10 3.04 -1.81 0.31 116.94 121.17 1d6t h PHE 70 Ca 0.00 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1d6t h PHE 70 Cb 0.05 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.55 1d6t h PHE 70 CO -0.02 0.00 0.19 0.87 -2.02 0.00 0.00 178.31 177.32 1d6t h LYS 71 N 0.00 0.49 0.15 1.11 1.79 -1.83 1.61 116.57 119.89 1d6t h LYS 71 Ca 0.00 -0.06 -0.23 0.00 -2.18 0.00 0.00 60.65 58.18 1d6t h LYS 71 Cb 0.89 -0.09 0.02 0.00 -1.58 0.00 0.00 32.23 31.47 1d6t h LYS 71 CO 0.00 0.41 -1.08 -0.39 -1.08 0.00 0.00 179.45 177.31 1d6t h VAL 72 N 0.44 1.34 0.00 0.50 -1.51 -0.73 -3.19 116.25 113.10 1d6t h VAL 72 Ca 0.12 -2.52 0.00 0.00 -1.23 0.00 0.00 66.70 63.07 1d6t h VAL 72 Cb 0.07 3.04 0.00 0.00 -2.13 0.00 0.00 31.29 32.27 1d6t h VAL 72 CO -0.02 0.73 0.00 1.41 -1.23 0.00 0.00 177.57 178.46 1d6t n HIS 73 N -4.01 0.00 -0.12 5.19 8.25 -0.64 -3.21 115.22 120.68 1d6t n HIS 73 Ca -0.17 0.00 0.27 0.00 -0.26 0.00 0.00 57.72 57.56 1d6t n HIS 73 Cb 0.89 -0.20 0.68 0.00 1.12 0.00 0.00 29.99 32.48 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 0.00 0.00 -0.41 3.64 0.24 1.77 116.57 121.81 1d6t h LYS 74 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1d6t h LYS 74 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1d6t h LYS 74 CO 0.00 0.00 -1.61 0.45 -2.27 0.00 0.00 179.45 176.02 1d6t n SER 75 N -3.76 0.68 0.09 4.20 2.88 -1.20 -4.16 113.62 112.35 1d6t n SER 75 Ca 0.17 -0.25 0.13 0.00 -1.33 0.00 0.00 58.87 57.59 1d6t n SER 75 Cb 1.04 1.64 0.29 0.00 -0.75 0.00 0.00 64.21 66.44 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 -1.97 0.77 -3.73 0.66 8.25 0.53 -4.81 115.22 114.91 1d6t n HIS 76 Ca -0.02 0.22 -0.34 0.00 -0.26 0.00 0.00 57.72 57.33 1d6t n HIS 76 Cb 0.44 -0.81 -0.05 0.00 1.12 0.00 0.00 29.99 30.69 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 -3.13 5.26 0.46 1.59 1.09 0.26 -3.29 121.20 123.43 1d6t s ILE 77 Ca 0.09 0.13 0.06 0.00 -1.10 0.00 0.00 60.65 59.83 1d6t s ILE 77 Cb 0.13 -3.59 -0.03 0.00 -1.06 0.00 0.00 42.46 37.90 1d6t s ILE 77 CO 0.65 0.28 0.15 -1.48 -0.10 0.00 0.00 174.94 174.44 1d6t s LEU 78 N -2.01 2.82 -0.06 2.97 -0.00 -1.22 -4.82 118.68 116.36 1d6t s LEU 78 Ca 0.31 -1.29 -0.35 0.00 -0.00 0.00 0.00 54.13 52.80 1d6t s LEU 78 Cb -0.13 -1.14 -0.13 0.00 -0.00 0.00 0.00 46.19 44.79 1d6t s LEU 78 CO 0.19 -0.69 1.75 0.00 -0.00 0.00 0.00 176.35 177.60 1d6t n ALA 79 N -1.28 0.63 0.00 1.48 0.00 -1.26 -3.92 120.51 116.16 1d6t n ALA 79 Ca -0.06 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1d6t n ALA 79 Cb 0.66 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 5.41 0.00 -1.36 0.00 3.00 -1.26 -4.79 118.16 119.15 1d6t n LYS 80 Ca 0.22 0.00 -0.51 0.00 -0.00 0.00 0.00 58.31 58.02 1d6t n LYS 80 Cb 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.15 1d6t n LYS 80 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1d6t n ASP 81 N 0.00 0.54 -4.79 3.14 -0.08 -1.26 -3.92 116.55 110.18 1d6t n ASP 81 Ca 0.00 0.45 -0.33 0.00 -1.51 0.00 0.00 54.79 53.40 1d6t n ASP 81 Cb 0.00 -0.91 -0.07 0.00 2.34 0.00 0.00 41.12 42.48 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 7.37 4.80 -0.41 5.18 -1.16 -1.26 -3.59 121.20 132.13 1d6t s ILE 82 Ca 1.27 -0.35 0.04 0.00 -0.51 0.00 0.00 60.65 61.10 1d6t s ILE 82 Cb -1.39 -3.18 0.17 0.00 0.61 0.00 0.00 42.46 38.67 1d6t s ILE 82 CO 0.58 0.38 0.39 -0.63 -2.81 0.00 0.00 174.94 172.85 1d6t s ILE 83 N -1.18 -0.03 -0.72 2.00 -1.09 -0.51 -3.61 121.20 116.06 1d6t s ILE 83 Ca 0.22 -1.96 -0.26 0.00 -2.23 0.00 0.00 60.65 56.42 1d6t s ILE 83 Cb -0.12 -0.92 -0.00 0.00 -1.58 0.00 0.00 42.46 39.83 1d6t s ILE 83 CO 0.13 -0.89 1.67 0.68 -1.23 0.00 0.00 174.94 175.30 1d6t s VAL 84 N 0.57 3.51 0.23 2.92 -7.23 -1.26 -1.56 120.40 117.58 1d6t s VAL 84 Ca 0.28 0.12 0.06 0.00 -1.81 0.00 0.00 61.98 60.62 1d6t s VAL 84 Cb -0.04 -4.32 -0.03 0.00 0.56 0.00 0.00 36.38 32.55 1d6t s VAL 84 CO -0.12 -1.27 0.28 -0.63 -0.31 0.00 0.00 175.10 173.05 1d6t s ILE 85 N 7.92 4.92 -0.27 -0.62 1.01 0.16 -1.13 121.20 133.19 1d6t s ILE 85 Ca 0.56 -1.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 1d6t s ILE 85 Cb -0.10 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 1d6t s ILE 85 CO 0.14 -0.31 0.08 0.00 0.00 0.00 0.00 174.94 174.85 1d6t s ALA 86 N -2.00 3.12 0.52 9.38 0.00 -0.73 -1.96 121.76 130.09 1d6t s ALA 86 Ca 0.33 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 1d6t s ALA 86 Cb -0.09 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 20.93 1d6t s ALA 86 CO 0.27 -0.66 0.03 0.54 0.00 0.00 0.00 175.76 175.94 1d6t n ARG 87 N 4.91 -0.06 -0.06 0.00 5.12 -1.06 -2.59 116.66 122.92 1d6t n ARG 87 Ca -0.16 -0.05 -0.06 0.00 -1.93 0.00 0.00 57.85 55.65 1d6t n ARG 87 Cb 0.50 -0.11 -0.04 0.00 -1.16 0.00 0.00 32.46 31.65 1d6t n ARG 87 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 1d6t h GLN 88 N 0.00 0.00 -0.04 5.56 7.50 -1.97 -3.32 115.11 122.84 1d6t h GLN 88 Ca -0.01 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.14 1d6t h GLN 88 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.58 1d6t h GLN 88 CO 0.01 0.32 0.00 -0.35 -1.50 0.00 0.00 178.83 177.31 1d6t n PRO 89 N -4.68 0.75 -0.25 1.46 -0.04 -1.26 -3.26 135.00 127.73 1d6t n PRO 89 Ca -0.07 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.41 1d6t n PRO 89 Cb 0.22 -1.02 0.11 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.47 2.88 0.00 0.55 0.00 -1.25 -3.51 120.51 118.71 1d6t n ALA 90 Ca 0.00 -0.53 -0.19 0.00 0.00 0.00 0.00 53.44 52.72 1d6t n ALA 90 Cb 0.01 -1.03 -0.14 0.00 0.00 0.00 0.00 19.45 18.29 1d6t n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1d6t n LYS 91 N 0.17 0.74 -0.66 0.00 4.81 -1.20 -3.88 118.16 118.14 1d6t n LYS 91 Ca 0.08 0.27 -0.06 0.00 -0.87 0.00 0.00 58.31 57.73 1d6t n LYS 91 Cb 0.50 -1.73 0.17 0.00 0.02 0.00 0.00 35.03 33.99 1d6t n LYS 91 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1d6t n ASP 92 N -3.41 3.65 -4.93 3.14 2.03 -1.23 -4.90 116.55 110.90 1d6t n ASP 92 Ca -0.29 -2.79 -0.28 0.00 0.52 0.00 0.00 54.79 51.94 1d6t n ASP 92 Cb 1.05 -0.67 -0.03 0.00 -0.72 0.00 0.00 41.12 40.75 1d6t n ASP 92 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1d6t s MET 93 N -2.03 3.44 0.04 -0.67 1.75 -1.25 -5.11 119.30 115.47 1d6t s MET 93 Ca 0.34 -0.51 0.04 0.00 -1.25 0.00 0.00 55.69 54.31 1d6t s MET 93 Cb 0.27 -2.99 -0.04 0.00 2.84 0.00 0.00 34.83 34.92 1d6t s MET 93 CO 0.08 0.56 -0.06 0.95 -0.65 0.00 0.00 175.02 175.89 1d6t s THR 94 N -1.64 3.66 0.63 10.11 -4.23 -1.26 -4.93 115.64 117.98 1d6t s THR 94 Ca 0.35 -0.90 0.22 0.00 -1.18 0.00 0.00 61.69 60.18 1d6t s THR 94 Cb -0.12 -2.64 0.27 0.00 1.34 0.00 0.00 72.50 71.35 1d6t s THR 94 CO 0.28 0.30 1.56 0.74 -0.54 0.00 0.00 174.62 176.96 1d6t h THR 95 N 3.52 0.09 -0.59 3.99 2.02 -1.99 1.39 112.91 121.35 1d6t h THR 95 Ca -0.48 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.62 1d6t h THR 95 Cb 1.17 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1d6t h THR 95 CO 0.54 0.00 0.04 0.25 0.37 0.00 0.00 175.52 176.73 1d6t h LEU 96 N 0.00 0.95 -0.13 2.58 7.12 -1.94 -0.75 115.31 123.14 1d6t h LEU 96 Ca 0.16 -0.24 -0.20 0.00 0.13 0.00 0.00 57.88 57.73 1d6t h LEU 96 Cb 1.60 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 41.45 1d6t h LEU 96 CO -0.00 0.98 -0.95 1.56 -0.13 0.00 0.00 178.44 179.90 1d6t h GLN 97 N 0.91 0.03 0.58 1.25 4.20 0.15 -3.03 115.11 119.20 1d6t h GLN 97 Ca 0.18 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1d6t h GLN 97 Cb 0.47 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.27 1d6t h GLN 97 CO 0.02 0.95 -0.28 0.82 -0.67 0.00 0.00 178.83 179.67 1d6t h ILE 98 N 0.01 0.35 -0.14 2.54 2.04 -0.99 0.60 117.51 121.92 1d6t h ILE 98 Ca -0.02 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.64 1d6t h ILE 98 Cb 1.66 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1d6t h ILE 98 CO 0.13 0.03 0.19 0.06 0.00 0.00 0.00 178.15 178.56 1d6t h GLN 99 N -0.95 0.00 0.00 2.37 3.07 -1.24 1.16 115.11 119.52 1d6t h GLN 99 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.66 1d6t h GLN 99 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.21 1d6t h GLN 99 CO 0.13 0.00 -0.81 0.09 0.09 0.00 0.00 178.83 178.33 1d6t n ASN 100 N -3.60 0.68 -0.10 0.06 3.02 -0.89 -3.65 115.26 110.79 1d6t n ASN 100 Ca 0.01 0.04 -0.23 0.00 -0.03 0.00 0.00 54.58 54.36 1d6t n ASN 100 Cb 0.30 0.41 -0.12 0.00 -0.61 0.00 0.00 39.78 39.77 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 -2.13 1.93 -0.18 6.41 7.64 0.29 -4.15 113.62 123.44 1d6t n SER 101 Ca 0.02 0.33 0.20 0.00 1.01 0.00 0.00 58.87 60.44 1d6t n SER 101 Cb 0.45 -0.88 0.57 0.00 -1.01 0.00 0.00 64.21 63.34 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 -0.76 0.28 0.00 -3.43 3.38 0.76 1.81 115.31 117.35 1d6t h LEU 102 Ca -0.46 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1d6t h LEU 102 Cb 1.54 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1d6t h LEU 102 CO -0.20 0.12 0.00 -0.62 0.09 0.00 0.00 178.44 177.83 1d6t n GLU 103 N -4.44 0.54 0.00 1.13 -0.58 -1.24 -2.29 120.64 113.75 1d6t n GLU 103 Ca 0.17 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1d6t n GLU 103 Cb 0.70 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.07 1d6t n GLU 103 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1d6t n HIS 104 N -1.05 0.00 -0.27 -0.32 -0.00 0.54 -4.36 115.22 109.76 1d6t n HIS 104 Ca 0.13 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.33 1d6t n HIS 104 Cb 0.08 0.16 0.09 0.00 -0.12 0.00 0.00 29.99 30.20 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 0.21 -0.33 3.57 3.04 0.53 0.74 116.25 124.00 1d6t h VAL 105 Ca 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 66.70 65.52 1d6t h VAL 105 Cb 0.00 0.21 -0.00 0.00 -2.01 0.00 0.00 31.29 29.49 1d6t h VAL 105 CO 0.00 0.00 -0.45 0.25 -1.01 0.00 0.00 177.57 176.36 1d6t h LEU 106 N -0.00 0.95 -0.96 3.16 5.85 -1.57 -1.62 115.31 121.12 1d6t h LEU 106 Ca 0.37 -0.46 0.15 0.00 0.84 0.00 0.00 57.88 58.79 1d6t h LEU 106 Cb 0.57 -0.27 -0.10 0.00 0.37 0.00 0.00 40.66 41.24 1d6t h LEU 106 CO -0.81 1.25 0.58 0.50 -0.34 0.00 0.00 178.44 179.62 1d6t h LYS 107 N 0.70 0.80 -0.08 1.25 3.64 0.37 0.15 116.57 123.40 1d6t h LYS 107 Ca 0.04 -0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 59.16 1d6t h LYS 107 Cb 1.04 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1d6t h LYS 107 CO 0.10 0.53 -0.81 0.82 -2.27 0.00 0.00 179.45 177.82 1d6t h ILE 108 N 0.82 1.35 -1.77 2.00 2.04 0.19 -3.10 117.51 119.04 1d6t h ILE 108 Ca 0.52 -2.17 0.53 0.00 1.00 0.00 0.00 64.86 64.73 1d6t h ILE 108 Cb 0.68 2.16 -0.08 0.00 -0.74 0.00 0.00 36.82 38.84 1d6t h ILE 108 CO -0.33 0.66 1.26 0.00 0.00 0.00 0.00 178.15 179.74 1d6t n ALA 109 N -2.55 1.71 -0.59 1.87 0.00 0.53 -4.66 120.51 116.82 1d6t n ALA 109 Ca -0.06 0.64 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1d6t n ALA 109 Cb 0.76 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1d6t n ALA 109 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1d6t n LYS 110 N -3.91 0.00 -0.79 0.00 4.81 -1.17 -4.90 118.16 112.20 1d6t n LYS 110 Ca 0.41 0.13 -0.14 0.00 -0.87 0.00 0.00 58.31 57.84 1d6t n LYS 110 Cb 1.83 -2.05 0.13 0.00 0.02 0.00 0.00 35.03 34.96 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 -2.59 2.41 -3.99 3.15 0.24 -1.25 -4.79 118.33 111.49 1d6t n VAL 111 Ca 0.00 -1.24 -0.30 0.00 -2.04 0.00 0.00 64.34 60.76 1d6t n VAL 111 Cb 0.00 -0.63 -0.16 0.00 -1.47 0.00 0.00 33.84 31.58 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 -2.17 2.32 0.08 6.34 0.40 -1.26 -3.42 117.98 120.27 1d6t s PHE 112 Ca 0.37 -1.50 -0.15 0.00 -0.60 0.00 0.00 56.93 55.05 1d6t s PHE 112 Cb 0.31 -1.61 -0.03 0.00 0.51 0.00 0.00 43.02 42.20 1d6t s PHE 112 CO 0.07 -0.72 1.01 0.27 0.70 0.00 0.00 175.22 176.55 1d6t n ASN 113 N 4.71 -0.52 0.00 1.36 0.23 -1.21 -4.70 115.26 115.13 1d6t n ASN 113 Ca -0.15 1.13 0.00 0.00 -0.53 0.00 0.00 54.58 55.03 1d6t n ASN 113 Cb 0.47 -0.24 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1d6t n ASN 113 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1d6t n LYS 114 N -4.19 0.00 0.00 -3.83 2.85 -1.26 -5.08 118.16 106.64 1d6t n LYS 114 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1d6t n LYS 114 Cb 0.13 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.51 1d6t n LYS 114 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1d6t n LYS 115 N -2.45 0.00 -1.30 -1.58 5.02 -1.26 -5.15 118.16 111.44 1d6t n LYS 115 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 1d6t n LYS 115 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.08 1d6t n LYS 115 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1d6t n ILE 116 N 0.00 1.98 -0.03 -0.18 5.41 -1.26 -5.27 119.36 120.01 1d6t n ILE 116 Ca 0.00 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.34 1d6t n ILE 116 Cb 0.00 -0.78 0.00 0.00 -0.71 0.00 0.00 39.64 38.15 1d6t n ILE 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72