#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 0.00 0.00 4.03 3.38 -2.02 -3.48 115.31 117.22 1d6t h LEU 2 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1d6t h LEU 2 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1d6t h LEU 2 CO 0.00 0.73 0.00 0.00 0.09 0.00 0.00 178.44 179.26 1d6t n LEU 3 N -4.64 0.00 0.00 1.67 -0.00 -1.26 -5.05 117.00 107.73 1d6t n LEU 3 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.95 1d6t n LEU 3 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.65 1d6t n LEU 3 CO 0.09 -0.27 0.00 -0.62 -0.00 0.00 0.00 177.39 176.60 1d6t n GLU 4 N -0.06 1.32 0.00 1.47 -0.58 -1.26 -4.50 120.64 117.03 1d6t n GLU 4 Ca 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.75 1d6t n GLU 4 Cb 0.00 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 30.92 1d6t n GLU 4 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1d6t n LYS 5 N 0.00 0.03 -1.35 3.49 2.85 -1.26 -4.44 118.16 117.48 1d6t n LYS 5 Ca 0.00 0.24 -0.05 0.00 -1.05 0.00 0.00 58.31 57.46 1d6t n LYS 5 Cb 0.00 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 32.86 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 -1.26 -0.09 -1.33 0.58 0.00 -1.26 -2.62 120.51 114.52 1d6t n ALA 6 Ca 0.01 0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 1d6t n ALA 6 Cb 0.01 -0.85 -0.05 0.00 0.00 0.00 0.00 19.45 18.56 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 -3.13 0.00 -2.54 0.00 4.01 -1.26 -4.75 117.16 109.49 1d6t n TYR 7 Ca -0.05 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.26 1d6t n TYR 7 Cb 0.24 -2.31 -0.02 0.00 -0.31 0.00 0.00 39.34 36.94 1d6t n TYR 7 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1d6t s ARG 8 N -2.85 4.18 -0.69 -0.72 1.81 -1.08 -2.22 118.95 117.39 1d6t s ARG 8 Ca 0.00 1.41 -0.21 0.00 -1.72 0.00 0.00 55.73 55.21 1d6t s ARG 8 Cb 0.00 -3.73 0.09 0.00 -0.45 0.00 0.00 34.95 30.86 1d6t s ARG 8 CO 0.00 -0.76 0.93 0.42 -0.68 0.00 0.00 175.30 175.21 1d6t s ILE 9 N 3.52 4.51 -2.43 1.52 1.01 -1.26 -4.80 121.20 123.27 1d6t s ILE 9 Ca 0.50 -0.72 0.23 0.00 0.00 0.00 0.00 60.65 60.65 1d6t s ILE 9 Cb -0.17 -4.65 0.39 0.00 0.01 0.00 0.00 42.46 38.03 1d6t s ILE 9 CO 0.13 -1.39 1.36 0.29 0.00 0.00 0.00 174.94 175.33 1d6t n LYS 10 N 7.18 2.44 -4.22 2.79 5.02 -1.26 -4.93 118.16 125.17 1d6t n LYS 10 Ca -0.01 -2.22 -0.23 0.00 -2.02 0.00 0.00 58.31 53.83 1d6t n LYS 10 Cb 0.45 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.90 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 -1.50 2.37 0.23 1.97 1.02 -1.26 -5.02 119.74 117.55 1d6t s LYS 11 Ca 0.36 -1.43 0.23 0.00 0.02 0.00 0.00 55.97 55.15 1d6t s LYS 11 Cb 0.22 -2.20 0.03 0.00 -0.52 0.00 0.00 37.83 35.36 1d6t s LYS 11 CO 0.30 0.29 1.10 -0.91 -0.92 0.00 0.00 175.35 175.21 1d6t h ASN 12 N 1.74 0.00 0.01 2.83 2.35 -1.98 -3.31 115.58 117.23 1d6t h ASN 12 Ca -0.44 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1d6t h ASN 12 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1d6t h ASN 12 CO 0.61 0.00 -0.01 0.00 -1.65 0.00 0.00 177.43 176.39 1d6t h ALA 13 N 2.00 -0.02 -0.30 -0.83 0.00 -1.97 1.54 119.26 119.68 1d6t h ALA 13 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1d6t h ALA 13 Cb 1.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1d6t h ALA 13 CO 0.00 -0.46 0.10 -0.44 0.00 0.00 0.00 179.25 178.44 1d6t h ASP 14 N -0.11 0.38 1.41 0.00 3.32 -1.99 1.13 116.42 120.57 1d6t h ASP 14 Ca -0.00 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.89 1d6t h ASP 14 Cb 0.11 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1d6t h ASP 14 CO 0.00 0.37 -0.59 -0.26 -1.72 0.00 0.00 179.24 177.05 1d6t h PHE 15 N 0.43 0.00 0.15 4.55 0.04 -1.47 -3.30 116.94 117.34 1d6t h PHE 15 Ca 0.11 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.55 1d6t h PHE 15 Cb 0.13 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 1d6t h PHE 15 CO 0.00 0.57 -1.65 0.37 -0.60 0.00 0.00 178.31 177.00 1d6t h GLN 16 N 0.00 0.31 -0.52 1.51 4.15 0.35 -3.13 115.11 117.78 1d6t h GLN 16 Ca -0.01 -0.54 0.15 0.00 0.77 0.00 0.00 58.65 59.03 1d6t h GLN 16 Cb 1.44 0.20 -0.02 0.00 0.21 0.00 0.00 27.48 29.31 1d6t h GLN 16 CO 0.07 1.20 0.59 0.00 -1.93 0.00 0.00 178.83 178.76 1d6t h ARG 17 N 0.09 0.00 0.02 1.69 3.08 0.12 1.16 114.38 120.53 1d6t h ARG 17 Ca -0.30 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.54 1d6t h ARG 17 Cb 2.06 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 32.08 1d6t h ARG 17 CO 0.17 0.00 -1.14 0.82 -1.07 0.00 0.00 179.97 178.74 1d6t h ILE 18 N 0.00 1.03 0.00 2.04 2.04 -1.67 -3.28 117.51 117.67 1d6t h ILE 18 Ca 0.25 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.88 1d6t h ILE 18 Cb 1.42 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 39.95 1d6t h ILE 18 CO -0.00 0.42 0.00 1.88 0.00 0.00 0.00 178.15 180.45 1d6t h TYR 19 N -0.87 0.00 0.00 1.37 -1.99 -0.83 0.14 116.97 114.79 1d6t h TYR 19 Ca -0.30 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.43 1d6t h TYR 19 Cb 1.35 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.08 1d6t h TYR 19 CO 0.12 0.00 0.00 1.17 -0.00 0.00 0.00 178.16 179.45 1d6t n LYS 20 N -2.56 0.00 0.32 4.88 3.00 0.38 -3.70 118.16 120.47 1d6t n LYS 20 Ca -0.00 0.46 0.19 0.00 -0.00 0.00 0.00 58.31 58.95 1d6t n LYS 20 Cb 0.15 -1.09 1.06 0.00 0.00 0.00 0.00 35.03 35.15 1d6t n LYS 20 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1d6t h LYS 21 N 0.00 0.00 -3.83 1.64 6.56 -1.60 -3.48 116.57 115.85 1d6t h LYS 21 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1d6t h LYS 21 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1d6t h LYS 21 CO 0.00 0.00 -0.83 0.41 -2.06 0.00 0.00 179.45 176.97 1d6t n GLY 22 N -1.17 -5.10 0.00 3.86 0.00 0.48 -5.05 105.19 98.21 1d6t n GLY 22 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1d6t n GLY 22 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1d6t n HIS 23 N 1.37 0.00 -3.70 1.61 -0.00 -1.25 -5.03 115.22 108.22 1d6t n HIS 23 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.49 1d6t n HIS 23 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 29.97 1d6t n HIS 23 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1d6t s SER 24 N 0.00 6.32 -0.16 0.26 1.04 -1.26 -2.34 113.70 117.57 1d6t s SER 24 Ca 0.00 0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.63 1d6t s SER 24 Cb 0.00 -1.95 0.06 0.00 0.10 0.00 0.00 66.02 64.23 1d6t s SER 24 CO 0.00 -0.15 0.37 0.68 0.98 0.00 0.00 173.24 175.12 1d6t s VAL 25 N -2.08 -0.13 -0.35 5.02 -7.23 0.16 -4.97 120.40 110.83 1d6t s VAL 25 Ca 0.37 0.13 -0.03 0.00 -1.81 0.00 0.00 61.98 60.64 1d6t s VAL 25 Cb -0.10 -0.56 0.07 0.00 0.56 0.00 0.00 36.38 36.36 1d6t s VAL 25 CO 0.32 0.05 0.09 0.00 -0.31 0.00 0.00 175.10 175.25 1d6t s ALA 26 N 1.59 2.97 0.00 1.32 0.00 -1.26 0.22 121.76 126.61 1d6t s ALA 26 Ca -0.08 -2.06 0.00 0.00 0.00 0.00 0.00 51.96 49.82 1d6t s ALA 26 Cb -0.09 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.87 1d6t s ALA 26 CO -0.12 -1.48 0.00 -1.71 0.00 0.00 0.00 175.76 172.45 1d6t n ASN 27 N 4.63 0.00 0.00 0.00 2.85 0.11 -4.86 115.26 117.99 1d6t n ASN 27 Ca -0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 1d6t n ASN 27 Cb 0.43 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.45 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 0.06 0.00 1.20 0.63 -1.26 -4.86 116.66 112.43 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 -0.89 0.00 0.00 0.45 0.00 0.00 32.46 32.02 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 -2.26 0.06 -4.17 -0.14 6.02 -1.26 -4.99 117.38 110.64 1d6t n GLN 29 Ca 0.00 -0.51 -0.16 0.00 -0.01 0.00 0.00 57.00 56.32 1d6t n GLN 29 Cb 0.39 -0.51 -0.13 0.00 1.02 0.00 0.00 30.24 31.01 1d6t n GLN 29 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1d6t s PHE 30 N -0.02 0.70 -0.12 1.08 5.36 -1.26 -2.57 117.98 121.15 1d6t s PHE 30 Ca 0.00 -0.30 0.02 0.00 -0.96 0.00 0.00 56.93 55.69 1d6t s PHE 30 Cb 0.00 -0.43 -0.01 0.00 -0.34 0.00 0.00 43.02 42.24 1d6t s PHE 30 CO 0.00 -0.03 -0.18 0.14 -1.46 0.00 0.00 175.22 173.69 1d6t s VAL 31 N -0.74 2.59 -0.17 3.12 -7.23 0.15 0.08 120.40 118.20 1d6t s VAL 31 Ca -0.03 -0.83 0.01 0.00 -1.81 0.00 0.00 61.98 59.33 1d6t s VAL 31 Cb -0.06 -2.05 0.02 0.00 0.56 0.00 0.00 36.38 34.85 1d6t s VAL 31 CO 0.00 0.54 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.44 1d6t s VAL 32 N 0.33 2.07 -0.56 1.32 1.01 0.60 0.17 120.40 125.34 1d6t s VAL 32 Ca -0.14 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 1d6t s VAL 32 Cb -0.17 -1.86 0.14 0.00 0.00 0.00 0.00 36.38 34.50 1d6t s VAL 32 CO 0.07 0.54 0.41 -0.31 0.00 0.00 0.00 175.10 175.81 1d6t s TYR 33 N 1.20 3.49 0.07 5.22 1.51 0.37 0.40 117.35 129.61 1d6t s TYR 33 Ca 0.03 -2.27 0.07 0.00 -1.01 0.00 0.00 57.07 53.88 1d6t s TYR 33 Cb -0.13 -3.39 -0.04 0.00 -0.11 0.00 0.00 41.96 38.29 1d6t s TYR 33 CO -0.11 -0.94 -0.13 0.95 -1.11 0.00 0.00 175.55 174.21 1d6t s THR 34 N 0.69 3.15 -0.08 -0.71 -4.23 -0.99 -1.48 115.64 112.00 1d6t s THR 34 Ca 0.11 -1.18 -0.31 0.00 -1.18 0.00 0.00 61.69 59.13 1d6t s THR 34 Cb -0.22 -2.40 0.12 0.00 1.34 0.00 0.00 72.50 71.34 1d6t s THR 34 CO -0.03 0.24 1.38 0.00 -0.54 0.00 0.00 174.62 175.67 1d6t n ASN 36 N -0.76 -6.18 -3.02 0.00 4.13 -1.26 -1.73 115.26 106.43 1d6t n ASN 36 Ca -0.02 0.89 -0.31 0.00 1.68 0.00 0.00 54.58 56.82 1d6t n ASN 36 Cb 0.61 -4.03 -0.01 0.00 -1.54 0.00 0.00 39.78 34.81 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 0.34 5.45 0.00 6.41 5.15 -1.26 -3.56 115.26 127.79 1d6t n ASN 37 Ca 0.01 -3.71 0.00 0.00 -0.60 0.00 0.00 54.58 50.29 1d6t n ASN 37 Cb 0.06 -0.73 0.00 0.00 -0.53 0.00 0.00 39.78 38.58 1d6t n ASN 37 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1d6t n LYS 38 N -0.27 0.00 -1.15 1.20 4.76 -1.26 -4.99 118.16 116.45 1d6t n LYS 38 Ca 0.38 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.53 1d6t n LYS 38 Cb 0.39 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.51 1d6t n LYS 38 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1d6t n GLU 39 N 0.00 3.00 -4.31 1.97 -0.58 -1.26 -4.80 120.64 114.67 1d6t n GLU 39 Ca 0.00 -1.75 -0.19 0.00 -0.42 0.00 0.00 57.16 54.81 1d6t n GLU 39 Cb 0.00 -2.51 -0.09 0.00 -0.57 0.00 0.00 31.44 28.27 1d6t n GLU 39 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1d6t s ILE 40 N 1.95 0.13 0.00 -3.67 1.10 -1.26 -5.00 121.20 114.45 1d6t s ILE 40 Ca 0.65 -2.00 0.00 0.00 -0.51 0.00 0.00 60.65 58.79 1d6t s ILE 40 Cb 0.21 -2.48 0.00 0.00 0.15 0.00 0.00 42.46 40.34 1d6t s ILE 40 CO -0.04 0.00 0.47 0.47 -2.11 0.00 0.00 174.94 173.73 1d6t n ASP 41 N -1.18 0.68 0.00 4.50 8.00 -1.26 -5.05 116.55 122.24 1d6t n ASP 41 Ca 0.04 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.31 1d6t n ASP 41 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 1d6t n ASP 41 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1d6t n HIS 42 N -0.11 0.00 -2.33 1.24 8.25 -1.26 -5.04 115.22 115.97 1d6t n HIS 42 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1d6t n HIS 42 Cb 0.26 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.35 1d6t n HIS 42 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 1d6t s PHE 43 N -1.96 2.29 -0.77 4.41 -0.71 -1.25 -3.15 117.98 116.84 1d6t s PHE 43 Ca 0.00 0.61 -0.22 0.00 -1.04 0.00 0.00 56.93 56.28 1d6t s PHE 43 Cb 0.00 -4.32 0.08 0.00 -1.21 0.00 0.00 43.02 37.57 1d6t s PHE 43 CO 0.00 -2.05 1.09 1.03 -1.34 0.00 0.00 175.22 173.95 1d6t s ARG 44 N 5.26 3.28 -0.32 1.99 0.52 -1.26 -4.71 118.95 123.71 1d6t s ARG 44 Ca 0.60 -0.99 -0.29 0.00 -0.52 0.00 0.00 55.73 54.52 1d6t s ARG 44 Cb -0.13 -4.49 0.01 0.00 0.52 0.00 0.00 34.95 30.86 1d6t s ARG 44 CO 0.30 -1.89 1.23 -0.51 0.02 0.00 0.00 175.30 174.45 1d6t s LEU 45 N 4.06 3.88 0.13 2.53 1.43 -0.94 -1.93 118.68 127.84 1d6t s LEU 45 Ca 0.28 1.11 0.02 0.00 -1.03 0.00 0.00 54.13 54.52 1d6t s LEU 45 Cb -0.11 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 1d6t s LEU 45 CO 0.04 -1.04 0.24 -0.83 0.23 0.00 0.00 176.35 175.00 1d6t s GLY 46 N 2.45 1.80 -0.18 -3.19 0.00 -0.79 -4.29 107.32 103.12 1d6t s GLY 46 Ca 0.53 -1.02 -0.03 0.00 0.00 0.00 0.00 44.72 44.19 1d6t s GLY 46 CO 0.22 -1.02 0.05 -0.42 0.00 0.00 0.00 173.10 171.92 1d6t s ILE 47 N -1.69 0.39 0.28 0.90 -1.09 -1.26 -3.30 121.20 115.42 1d6t s ILE 47 Ca 0.34 -0.44 0.02 0.00 -2.23 0.00 0.00 60.65 58.33 1d6t s ILE 47 Cb -0.11 -0.91 -0.03 0.00 -1.58 0.00 0.00 42.46 39.83 1d6t s ILE 47 CO 0.27 -0.20 0.26 -0.44 -1.23 0.00 0.00 174.94 173.60 1d6t s SER 48 N 1.92 0.91 0.00 3.58 0.01 -1.25 -5.05 113.70 113.83 1d6t s SER 48 Ca -0.00 -1.54 0.00 0.00 1.31 0.00 0.00 55.95 55.72 1d6t s SER 48 Cb -0.17 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1d6t s SER 48 CO -0.08 -1.02 0.00 0.52 0.41 0.00 0.00 173.24 173.07 1d6t n VAL 49 N -0.47 0.00 -3.33 3.43 0.31 -1.26 -2.18 118.33 114.82 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 33.56 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 -0.08 5.57 0.00 4.52 0.15 -0.13 -4.41 113.70 119.32 1d6t s SER 50 Ca 0.00 -0.43 0.26 0.00 0.70 0.00 0.00 55.95 56.47 1d6t s SER 50 Cb 0.00 -0.82 1.35 0.00 -1.71 0.00 0.00 66.02 64.83 1d6t s SER 50 CO 0.00 -0.61 1.87 1.17 1.20 0.00 0.00 173.24 176.87 1d6t n LYS 51 N -1.68 0.46 -0.04 5.44 4.81 -1.26 -2.39 118.16 123.50 1d6t n LYS 51 Ca 0.04 0.04 0.02 0.00 -0.87 0.00 0.00 58.31 57.53 1d6t n LYS 51 Cb 0.59 -1.50 -0.15 0.00 0.02 0.00 0.00 35.03 34.00 1d6t n LYS 51 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1d6t n LYS 52 N -1.22 0.78 0.00 1.64 4.01 -1.26 -4.85 118.16 117.26 1d6t n LYS 52 Ca 0.14 -0.11 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 1d6t n LYS 52 Cb 0.18 -1.46 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 1d6t n LYS 52 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1d6t n LEU 53 N -2.38 0.00 -2.88 -0.35 4.77 -1.00 -5.01 117.00 110.13 1d6t n LEU 53 Ca -0.15 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.83 1d6t n LEU 53 Cb 0.75 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1d6t n LEU 53 CO 0.40 0.00 -0.49 0.61 -1.33 0.00 0.00 177.39 176.58 1d6t n GLY 54 N 4.46 -2.76 3.65 -0.72 0.00 -1.22 -4.98 105.19 103.61 1d6t n GLY 54 Ca 0.00 0.43 0.02 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.24 -0.05 0.05 1.61 2.47 -1.26 -5.01 114.94 111.51 1d6t s ASN 55 Ca -0.03 -0.15 0.21 0.00 0.42 0.00 0.00 52.86 53.31 1d6t s ASN 55 Cb 0.00 0.17 -0.19 0.00 -1.45 0.00 0.00 41.25 39.78 1d6t s ASN 55 CO 0.49 -0.31 0.69 0.00 -3.72 0.00 0.00 177.10 174.24 1d6t n ALA 56 N -0.52 2.49 0.07 1.71 0.00 -1.26 -2.29 120.51 120.71 1d6t n ALA 56 Ca -0.08 -0.48 -0.10 0.00 0.00 0.00 0.00 53.44 52.78 1d6t n ALA 56 Cb 0.63 -0.86 -0.13 0.00 0.00 0.00 0.00 19.45 19.09 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 1.56 0.08 0.00 3.04 -1.98 -2.82 116.25 116.14 1d6t h VAL 57 Ca -0.06 -3.24 -0.22 0.00 -1.01 0.00 0.00 66.70 62.16 1d6t h VAL 57 Cb 1.17 2.84 -0.01 0.00 -2.01 0.00 0.00 31.29 33.28 1d6t h VAL 57 CO 0.01 0.91 -1.15 0.17 -1.01 0.00 0.00 177.57 176.50 1d6t h LEU 58 N 0.02 0.27 0.00 3.16 8.10 -1.96 -3.28 115.31 121.63 1d6t h LEU 58 Ca -0.08 -0.82 0.00 0.00 0.11 0.00 0.00 57.88 57.09 1d6t h LEU 58 Cb 1.86 -0.09 0.00 0.00 -0.44 0.00 0.00 40.66 41.99 1d6t h LEU 58 CO 0.15 1.49 0.00 -1.14 -4.11 0.00 0.00 178.44 174.83 1d6t n ARG 59 N -4.12 0.04 0.03 0.17 0.63 -0.97 0.62 116.66 113.07 1d6t n ARG 59 Ca -0.23 0.32 0.11 0.00 -0.92 0.00 0.00 57.85 57.13 1d6t n ARG 59 Cb 0.80 -1.50 0.04 0.00 0.45 0.00 0.00 32.46 32.26 1d6t n ARG 59 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1d6t n ASN 60 N -1.42 0.62 -0.00 6.15 3.02 -1.06 -1.22 115.26 121.35 1d6t n ASN 60 Ca 0.02 -0.13 0.02 0.00 -0.03 0.00 0.00 54.58 54.47 1d6t n ASN 60 Cb 0.07 0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 39.91 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 -2.02 4.66 -0.05 3.52 3.00 0.68 -3.64 118.16 124.31 1d6t n LYS 61 Ca 0.02 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.31 58.28 1d6t n LYS 61 Cb 0.44 -0.79 -0.09 0.00 0.00 0.00 0.00 35.03 34.59 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 -1.19 0.71 0.41 3.15 5.41 0.20 -3.87 119.36 124.19 1d6t n ILE 62 Ca 0.01 -0.47 0.11 0.00 1.00 0.00 0.00 62.75 63.40 1d6t n ILE 62 Cb 0.09 -0.61 -0.10 0.00 -0.71 0.00 0.00 39.64 38.30 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 -2.38 0.39 0.04 0.38 4.81 -0.35 -3.60 118.16 117.45 1d6t n LYS 63 Ca -0.17 -0.08 -0.12 0.00 -0.87 0.00 0.00 58.31 57.06 1d6t n LYS 63 Cb 0.82 -1.55 -0.09 0.00 0.02 0.00 0.00 35.03 34.24 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 0.00 -0.14 0.00 1.64 2.43 -1.62 -0.72 114.38 115.96 1d6t h ARG 64 Ca 0.00 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1d6t h ARG 64 Cb 0.80 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1d6t h ARG 64 CO 0.00 0.31 -0.19 0.00 -1.51 0.00 0.00 179.97 178.58 1d6t h ALA 65 N 0.10 1.02 -0.17 2.80 0.00 -1.76 -1.80 119.26 119.46 1d6t h ALA 65 Ca -0.02 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 1d6t h ALA 65 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1d6t h ALA 65 CO 0.02 0.24 -0.67 0.97 0.00 0.00 0.00 179.25 179.82 1d6t h ILE 66 N 0.00 1.31 -0.45 0.00 6.09 -1.60 -2.74 117.51 120.13 1d6t h ILE 66 Ca -0.00 -1.92 0.00 0.00 -1.37 0.00 0.00 64.86 61.57 1d6t h ILE 66 Cb 0.71 1.89 0.00 0.00 0.47 0.00 0.00 36.82 39.89 1d6t h ILE 66 CO 0.02 0.60 0.00 -2.11 -3.07 0.00 0.00 178.15 173.60 1d6t n ARG 67 N -3.93 2.06 -0.08 2.19 1.85 -0.28 -2.34 116.66 116.12 1d6t n ARG 67 Ca -0.05 -1.62 -0.06 0.00 -1.00 0.00 0.00 57.85 55.12 1d6t n ARG 67 Cb 0.68 -1.36 -0.14 0.00 -1.05 0.00 0.00 32.46 30.59 1d6t n ARG 67 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1d6t n GLU 68 N 0.81 1.00 0.00 2.89 2.13 -0.71 -4.38 120.64 122.38 1d6t n GLU 68 Ca 0.15 -0.03 0.06 0.00 0.66 0.00 0.00 57.16 58.00 1d6t n GLU 68 Cb 0.38 -1.46 -0.07 0.00 0.27 0.00 0.00 31.44 30.57 1d6t n GLU 68 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1d6t n ASN 69 N -2.59 0.64 -0.01 4.31 5.03 -1.08 -4.30 115.26 117.25 1d6t n ASN 69 Ca -0.25 -0.82 0.14 0.00 0.87 0.00 0.00 54.58 54.52 1d6t n ASN 69 Cb 1.00 0.98 0.62 0.00 -1.02 0.00 0.00 39.78 41.35 1d6t n ASN 69 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1d6t n PHE 70 N -1.25 0.00 0.97 3.10 3.01 -0.99 -0.23 117.46 122.07 1d6t n PHE 70 Ca 0.03 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.59 1d6t n PHE 70 Cb 0.20 -0.38 0.01 0.00 -0.01 0.00 0.00 39.48 39.30 1d6t n PHE 70 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1d6t n LYS 71 N -1.38 1.40 -0.02 -1.08 2.85 -1.26 -3.46 118.16 115.21 1d6t n LYS 71 Ca 0.10 -1.11 -0.03 0.00 -1.05 0.00 0.00 58.31 56.22 1d6t n LYS 71 Cb 0.31 -1.45 -0.01 0.00 -0.65 0.00 0.00 35.03 33.22 1d6t n LYS 71 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1d6t n VAL 72 N 0.16 0.20 0.99 0.58 0.24 -1.11 -4.59 118.33 114.80 1d6t n VAL 72 Ca 0.10 -0.06 0.12 0.00 -2.04 0.00 0.00 64.34 62.45 1d6t n VAL 72 Cb 0.47 -1.10 0.56 0.00 -1.47 0.00 0.00 33.84 32.31 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 -2.89 0.00 -0.44 6.34 8.25 0.68 -3.43 115.22 123.73 1d6t n HIS 73 Ca -0.07 0.00 0.39 0.00 -0.26 0.00 0.00 57.72 57.78 1d6t n HIS 73 Cb 0.56 -0.39 0.73 0.00 1.12 0.00 0.00 29.99 32.01 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 0.06 0.00 -0.41 3.64 -1.72 2.24 116.57 120.38 1d6t h LYS 74 Ca 0.00 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1d6t h LYS 74 Cb 0.31 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1d6t h LYS 74 CO 0.00 0.04 -1.72 0.43 -2.27 0.00 0.00 179.45 175.93 1d6t n SER 75 N -4.25 0.33 0.22 4.20 7.64 -1.22 -3.99 113.62 116.54 1d6t n SER 75 Ca 0.32 0.13 0.11 0.00 1.01 0.00 0.00 58.87 60.44 1d6t n SER 75 Cb 1.43 1.25 0.32 0.00 -1.01 0.00 0.00 64.21 66.20 1d6t n SER 75 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1d6t h HIS 76 N 0.00 0.00 -3.01 1.43 3.86 0.31 -3.44 115.15 114.31 1d6t h HIS 76 Ca -0.09 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.51 1d6t h HIS 76 Cb 1.23 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.65 1d6t h HIS 76 CO 0.00 0.14 -0.30 0.42 0.86 0.00 0.00 177.93 179.05 1d6t s ILE 77 N -3.36 5.18 0.48 2.45 1.09 0.28 -3.48 121.20 123.84 1d6t s ILE 77 Ca 0.04 0.37 0.05 0.00 -1.10 0.00 0.00 60.65 60.00 1d6t s ILE 77 Cb 0.07 -3.61 -0.02 0.00 -1.06 0.00 0.00 42.46 37.84 1d6t s ILE 77 CO 0.65 0.35 0.15 -1.48 -0.10 0.00 0.00 174.94 174.51 1d6t s LEU 78 N -1.75 2.68 0.23 2.97 -0.00 -1.11 -4.89 118.68 116.81 1d6t s LEU 78 Ca 0.29 -1.37 -0.32 0.00 -0.00 0.00 0.00 54.13 52.74 1d6t s LEU 78 Cb -0.14 -1.05 -0.13 0.00 -0.00 0.00 0.00 46.19 44.87 1d6t s LEU 78 CO 0.16 -0.78 1.48 0.00 -0.00 0.00 0.00 176.35 177.21 1d6t n ALA 79 N -1.34 1.41 0.00 1.48 0.00 -1.26 -3.97 120.51 116.83 1d6t n ALA 79 Ca -0.08 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1d6t n ALA 79 Cb 0.66 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 2.41 0.00 -1.43 0.00 4.81 -1.19 -4.78 118.16 117.98 1d6t n LYS 80 Ca 0.12 0.00 -0.47 0.00 -0.87 0.00 0.00 58.31 57.10 1d6t n LYS 80 Cb 0.32 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.24 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 0.65 -4.48 3.14 -0.08 -0.71 -4.03 116.55 111.04 1d6t n ASP 81 Ca 0.00 0.30 -0.30 0.00 -1.51 0.00 0.00 54.79 53.28 1d6t n ASP 81 Cb 0.00 -0.97 -0.12 0.00 2.34 0.00 0.00 41.12 42.37 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 8.20 2.83 -0.25 5.18 -1.16 -0.81 -1.43 121.20 133.76 1d6t s ILE 82 Ca 1.28 -1.41 -0.04 0.00 -0.51 0.00 0.00 60.65 59.96 1d6t s ILE 82 Cb -1.25 -2.27 0.13 0.00 0.61 0.00 0.00 42.46 39.69 1d6t s ILE 82 CO 0.53 0.17 0.47 -0.63 -2.81 0.00 0.00 174.94 172.67 1d6t s ILE 83 N -1.08 -0.75 -0.68 2.00 1.01 -0.55 -1.89 121.20 119.25 1d6t s ILE 83 Ca 0.17 0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.70 1d6t s ILE 83 Cb -0.11 -0.84 0.18 0.00 0.01 0.00 0.00 42.46 41.70 1d6t s ILE 83 CO 0.09 -0.03 0.63 0.68 0.00 0.00 0.00 174.94 176.31 1d6t s VAL 84 N 2.68 5.33 0.11 2.92 -7.23 -1.21 0.14 120.40 123.14 1d6t s VAL 84 Ca 0.08 -2.05 -0.14 0.00 -1.81 0.00 0.00 61.98 58.06 1d6t s VAL 84 Cb -0.14 -4.35 -0.07 0.00 0.56 0.00 0.00 36.38 32.38 1d6t s VAL 84 CO -0.16 -0.95 0.51 -0.63 -0.31 0.00 0.00 175.10 173.56 1d6t s ILE 85 N 0.81 4.90 -0.22 -0.62 1.09 0.44 -3.81 121.20 123.78 1d6t s ILE 85 Ca 0.11 0.82 -0.24 0.00 -1.10 0.00 0.00 60.65 60.25 1d6t s ILE 85 Cb -0.20 -3.74 -0.01 0.00 -1.06 0.00 0.00 42.46 37.45 1d6t s ILE 85 CO -0.03 0.33 0.77 0.00 -0.10 0.00 0.00 174.94 175.91 1d6t s ALA 86 N -1.36 3.60 0.85 9.38 0.00 -0.93 0.30 121.76 133.60 1d6t s ALA 86 Ca 0.34 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.14 1d6t s ALA 86 Cb -0.16 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1d6t s ALA 86 CO 0.18 -0.80 0.00 0.54 0.00 0.00 0.00 175.76 175.69 1d6t n ARG 87 N 5.66 0.79 -0.06 0.00 5.12 -1.06 -0.96 116.66 126.15 1d6t n ARG 87 Ca 0.03 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.89 1d6t n ARG 87 Cb 0.48 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.73 1d6t n ARG 87 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 1d6t h GLN 88 N 0.00 0.00 0.00 5.56 -0.00 -1.97 -3.31 115.11 115.39 1d6t h GLN 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1d6t h GLN 88 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 1d6t h GLN 88 CO 0.00 0.42 0.00 -0.35 0.00 0.00 0.00 178.83 178.90 1d6t n PRO 89 N -4.68 0.75 0.00 -2.39 -0.04 -1.26 -3.13 135.00 124.25 1d6t n PRO 89 Ca -0.06 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.47 1d6t n PRO 89 Cb 0.24 -1.17 0.40 0.00 -0.04 0.00 0.00 33.50 32.93 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 1.90 0.03 0.55 0.00 -1.25 -1.60 120.51 119.48 1d6t n ALA 90 Ca 0.06 -0.08 -0.07 0.00 0.00 0.00 0.00 53.44 53.35 1d6t n ALA 90 Cb 0.03 -1.25 -0.12 0.00 0.00 0.00 0.00 19.45 18.10 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 2.10 -1.80 -3.15 116.57 113.72 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 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 1d6t h LYS 91 CO 0.00 0.79 0.00 -0.25 -2.00 0.00 0.00 179.45 177.99 1d6t n ASP 92 N -3.23 0.08 -2.50 7.07 8.00 -0.63 -4.81 116.55 120.53 1d6t n ASP 92 Ca -0.06 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.40 1d6t n ASP 92 Cb 0.97 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.07 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 -0.94 0.01 -4.00 -1.24 2.81 -1.19 -5.11 117.12 107.46 1d6t n MET 93 Ca 0.24 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 56.03 1d6t n MET 93 Cb 0.12 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.57 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 -0.70 0.01 -1.07 2.03 -4.23 -1.26 -4.98 115.64 105.43 1d6t s THR 94 Ca 0.00 -1.43 0.03 0.00 -1.18 0.00 0.00 61.69 59.11 1d6t s THR 94 Cb 0.00 -2.16 0.03 0.00 1.34 0.00 0.00 72.50 71.72 1d6t s THR 94 CO 0.00 -0.04 1.07 0.41 -0.54 0.00 0.00 174.62 175.52 1d6t n THR 95 N -0.35 1.66 -0.08 3.99 -1.04 -1.25 -1.37 114.28 115.84 1d6t n THR 95 Ca -0.02 0.41 -0.21 0.00 -2.04 0.00 0.00 64.05 62.19 1d6t n THR 95 Cb 0.62 -1.36 -0.12 0.00 -1.82 0.00 0.00 70.33 67.65 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 -1.47 2.62 0.47 -4.42 -0.00 -1.26 -4.16 117.00 108.77 1d6t n LEU 96 Ca 0.01 0.10 -0.19 0.00 -0.00 0.00 0.00 56.01 55.93 1d6t n LEU 96 Cb 0.04 -0.98 -0.09 0.00 -0.00 0.00 0.00 43.42 42.38 1d6t n LEU 96 CO 0.03 0.80 0.55 1.56 -0.00 0.00 0.00 177.39 180.33 1d6t h GLN 97 N -0.21 -1.14 -0.86 1.96 4.20 -1.60 -1.75 115.11 115.71 1d6t h GLN 97 Ca -0.52 0.08 0.10 0.00 0.06 0.00 0.00 58.65 58.36 1d6t h GLN 97 Cb 1.85 0.26 -0.11 0.00 0.30 0.00 0.00 27.48 29.77 1d6t h GLN 97 CO -0.09 -0.76 -0.45 -0.89 -0.67 0.00 0.00 178.83 175.98 1d6t n ILE 98 N -5.59 -0.54 -0.23 2.54 -0.00 -0.70 0.20 119.36 115.04 1d6t n ILE 98 Ca -0.15 2.06 0.02 0.00 -0.00 0.00 0.00 62.75 64.68 1d6t n ILE 98 Cb 0.47 -2.60 0.14 0.00 -0.00 0.00 0.00 39.64 37.66 1d6t n ILE 98 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 1d6t h GLN 99 N 0.00 0.45 0.00 0.38 4.20 -1.70 0.61 115.11 119.06 1d6t h GLN 99 Ca 0.19 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 1d6t h GLN 99 Cb 0.41 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1d6t h GLN 99 CO -0.82 0.30 -0.17 -0.91 -0.67 0.00 0.00 178.83 176.55 1d6t h ASN 100 N 0.46 0.00 0.22 1.46 2.35 0.32 -2.79 115.58 117.60 1d6t h ASN 100 Ca 0.36 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.10 1d6t h ASN 100 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1d6t h ASN 100 CO -0.34 0.17 -0.10 0.77 -1.65 0.00 0.00 177.43 176.28 1d6t h SER 101 N 0.00 -0.25 -1.14 5.81 4.64 0.76 -3.20 113.55 120.18 1d6t h SER 101 Ca -0.00 -0.22 0.32 0.00 -0.47 0.00 0.00 61.79 61.42 1d6t h SER 101 Cb 0.55 0.06 -0.09 0.00 -0.31 0.00 0.00 62.40 62.61 1d6t h SER 101 CO 0.02 0.28 0.76 -0.07 -0.87 0.00 0.00 176.83 176.95 1d6t h LEU 102 N -0.97 0.29 0.00 5.97 4.07 -0.47 2.96 115.31 127.15 1d6t h LEU 102 Ca -0.03 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1d6t h LEU 102 Cb 0.45 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.22 1d6t h LEU 102 CO 0.05 0.02 0.00 -0.62 -1.08 0.00 0.00 178.44 176.81 1d6t n GLU 103 N -4.51 0.13 0.00 1.13 1.02 -1.06 -2.19 120.64 115.16 1d6t n GLU 103 Ca 0.28 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1d6t n GLU 103 Cb 1.08 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 31.00 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 -1.25 0.00 -0.36 -0.32 -0.00 0.93 -4.38 115.22 109.84 1d6t n HIS 104 Ca 0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.22 1d6t n HIS 104 Cb 0.06 0.20 0.05 0.00 -0.12 0.00 0.00 29.99 30.19 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 -2.14 -0.49 -0.06 3.57 3.14 0.20 0.11 118.33 122.66 1d6t n VAL 105 Ca 0.00 2.23 -0.15 0.00 -2.96 0.00 0.00 64.34 63.46 1d6t n VAL 105 Cb 0.00 -2.97 -0.06 0.00 -1.06 0.00 0.00 33.84 29.75 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 0.89 -0.97 6.55 8.10 -1.59 -2.57 115.31 125.71 1d6t h LEU 106 Ca 0.35 -0.56 0.24 0.00 0.11 0.00 0.00 57.88 58.02 1d6t h LEU 106 Cb 0.59 -0.26 -0.12 0.00 -0.44 0.00 0.00 40.66 40.43 1d6t h LEU 106 CO -0.95 1.29 0.54 0.50 -4.11 0.00 0.00 178.44 175.71 1d6t h LYS 107 N 0.53 0.52 -0.14 0.17 3.64 0.13 0.28 116.57 121.70 1d6t h LYS 107 Ca -0.00 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 1d6t h LYS 107 Cb 1.17 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1d6t h LYS 107 CO 0.12 0.35 -0.23 0.82 -2.27 0.00 0.00 179.45 178.24 1d6t h ILE 108 N 0.54 1.36 -0.87 2.00 2.04 0.42 -3.11 117.51 119.89 1d6t h ILE 108 Ca 0.62 -1.46 0.27 0.00 1.00 0.00 0.00 64.86 65.30 1d6t h ILE 108 Cb 1.17 1.96 -0.16 0.00 -0.74 0.00 0.00 36.82 39.05 1d6t h ILE 108 CO -0.49 0.43 0.13 0.00 0.00 0.00 0.00 178.15 178.23 1d6t n ALA 109 N -2.46 0.56 -0.65 1.87 0.00 0.96 -4.75 120.51 116.04 1d6t n ALA 109 Ca -0.06 0.92 0.00 0.00 0.00 0.00 0.00 53.44 54.30 1d6t n ALA 109 Cb 0.42 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -5.19 0.00 -0.16 0.00 4.81 -0.97 -4.87 118.16 111.77 1d6t n LYS 110 Ca 0.24 0.11 0.02 0.00 -0.87 0.00 0.00 58.31 57.81 1d6t n LYS 110 Cb 0.79 -1.64 0.08 0.00 0.02 0.00 0.00 35.03 34.28 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 -2.37 0.49 -3.77 3.15 0.24 -1.26 -4.75 118.33 110.06 1d6t n VAL 111 Ca 0.00 -0.28 -0.36 0.00 -2.04 0.00 0.00 64.34 61.66 1d6t n VAL 111 Cb 0.11 -0.29 -0.13 0.00 -1.47 0.00 0.00 33.84 32.06 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 -1.50 3.07 0.23 6.34 0.08 -1.26 -2.76 117.98 122.19 1d6t s PHE 112 Ca 0.11 -0.53 -0.09 0.00 0.12 0.00 0.00 56.93 56.54 1d6t s PHE 112 Cb 0.08 -2.22 0.35 0.00 -0.57 0.00 0.00 43.02 40.66 1d6t s PHE 112 CO 0.04 -0.40 1.66 -2.95 -0.10 0.00 0.00 175.22 173.47 1d6t h ASN 113 N 8.22 -0.26 0.00 1.36 7.08 -1.85 -3.38 115.58 126.75 1d6t h ASN 113 Ca -0.38 0.16 0.00 0.00 -3.08 0.00 0.00 56.30 53.00 1d6t h ASN 113 Cb 1.17 0.28 0.00 0.00 -2.08 0.00 0.00 38.32 37.69 1d6t h ASN 113 CO 0.58 -0.12 -0.09 0.29 -2.08 0.00 0.00 177.43 176.01 1d6t n LYS 114 N -5.28 0.00 -0.44 4.14 4.76 -1.26 -5.12 118.16 114.96 1d6t n LYS 114 Ca 0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1d6t n LYS 114 Cb 0.40 -0.46 0.00 0.00 -1.84 0.00 0.00 35.03 33.13 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 -1.76 0.00 -1.51 1.97 0.00 -1.26 -5.02 118.16 110.59 1d6t n LYS 115 Ca 0.00 0.15 -0.39 0.00 0.00 0.00 0.00 58.31 58.06 1d6t n LYS 115 Cb 0.04 -0.31 0.03 0.00 0.00 0.00 0.00 35.03 34.79 1d6t n LYS 115 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1d6t n ILE 116 N -0.02 2.34 -0.08 3.15 5.41 -1.26 -5.19 119.36 123.72 1d6t n ILE 116 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 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