#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 -3.52 -4.17 4.03 4.77 -1.26 -4.84 117.00 112.01 1d6t n LEU 2 Ca 0.00 0.06 -0.35 0.00 -0.03 0.00 0.00 56.01 55.69 1d6t n LEU 2 Cb 0.00 -0.72 0.12 0.00 -2.33 0.00 0.00 43.42 40.49 1d6t n LEU 2 CO 0.00 -3.74 -1.18 -0.11 -1.33 0.00 0.00 177.39 171.03 1d6t n LEU 3 N 2.21 -2.61 0.00 2.23 0.00 -1.25 -5.03 117.00 112.54 1d6t n LEU 3 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 56.01 55.92 1d6t n LEU 3 Cb 0.66 -0.77 0.00 0.00 0.00 0.00 0.00 43.42 43.31 1d6t n LEU 3 CO 0.48 -2.84 0.00 1.21 0.00 0.00 0.00 177.39 176.24 1d6t n GLU 4 N -0.31 3.60 0.00 1.96 2.13 -1.26 -4.97 120.64 121.79 1d6t n GLU 4 Ca -0.01 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.89 1d6t n GLU 4 Cb 0.68 0.00 0.45 0.00 0.27 0.00 0.00 31.44 32.84 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 0.46 -0.66 5.31 2.85 -1.26 -3.45 118.16 121.41 1d6t n LYS 5 Ca 0.00 0.02 0.51 0.00 -1.05 0.00 0.00 58.31 57.79 1d6t n LYS 5 Cb 0.00 -1.50 0.81 0.00 -0.65 0.00 0.00 35.03 33.69 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 2.95 3.79 0.00 0.58 0.00 -1.94 4.33 119.26 128.97 1d6t h ALA 6 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1d6t h ALA 6 Cb 0.01 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1d6t h ALA 6 CO 0.00 -2.34 0.00 2.48 0.00 0.00 0.00 179.25 179.39 1d6t n TYR 7 N -3.93 0.00 -3.45 0.00 0.18 0.10 -3.64 117.16 106.42 1d6t n TYR 7 Ca 0.42 0.00 -0.28 0.00 1.88 0.00 0.00 57.90 59.92 1d6t n TYR 7 Cb 1.94 -0.03 -0.11 0.00 -0.38 0.00 0.00 39.34 40.76 1d6t n TYR 7 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 1d6t s ARG 8 N -1.68 0.73 -0.47 -3.48 3.52 1.42 -2.27 118.95 116.73 1d6t s ARG 8 Ca 0.00 -1.67 -0.28 0.00 -0.13 0.00 0.00 55.73 53.66 1d6t s ARG 8 Cb 0.00 -1.42 -0.01 0.00 -1.56 0.00 0.00 34.95 31.96 1d6t s ARG 8 CO 0.00 -1.27 1.75 0.42 -0.81 0.00 0.00 175.30 175.39 1d6t s ILE 9 N 0.64 3.50 -2.02 4.11 1.01 -1.26 -4.77 121.20 122.41 1d6t s ILE 9 Ca 0.23 0.44 0.19 0.00 0.00 0.00 0.00 60.65 61.51 1d6t s ILE 9 Cb -0.13 -3.88 0.35 0.00 0.01 0.00 0.00 42.46 38.81 1d6t s ILE 9 CO -0.07 -0.70 1.28 1.17 0.00 0.00 0.00 174.94 176.63 1d6t n LYS 10 N 8.70 2.25 -1.68 2.79 4.81 -1.26 -4.96 118.16 128.81 1d6t n LYS 10 Ca 0.20 -2.07 0.00 0.00 -0.87 0.00 0.00 58.31 55.58 1d6t n LYS 10 Cb 0.49 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 34.12 1d6t n LYS 10 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1d6t n LYS 11 N 1.19 2.07 -0.06 1.64 5.02 -1.26 -5.09 118.16 121.68 1d6t n LYS 11 Ca 0.16 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.35 1d6t n LYS 11 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.49 1d6t n LYS 11 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1d6t n ASN 12 N -1.13 2.21 -0.30 4.39 3.02 -1.26 -4.51 115.26 117.68 1d6t n ASN 12 Ca 0.00 0.02 0.12 0.00 -0.03 0.00 0.00 54.58 54.70 1d6t n ASN 12 Cb 0.00 -0.25 0.29 0.00 -0.61 0.00 0.00 39.78 39.22 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 -0.17 1.39 -0.29 5.41 0.00 -1.98 1.79 119.26 125.41 1d6t h ALA 13 Ca -0.27 0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1d6t h ALA 13 Cb 1.34 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1d6t h ALA 13 CO -0.10 -0.34 0.20 -0.44 0.00 0.00 0.00 179.25 178.58 1d6t h ASP 14 N 0.39 0.07 0.15 0.00 5.19 -2.00 0.51 116.42 120.74 1d6t h ASP 14 Ca 0.55 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.62 1d6t h ASP 14 Cb 1.03 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.52 1d6t h ASP 14 CO -0.53 0.05 -1.70 -0.26 -3.12 0.00 0.00 179.24 173.68 1d6t h PHE 15 N 0.08 0.60 -0.79 4.55 -1.00 0.21 -3.33 116.94 117.25 1d6t h PHE 15 Ca 0.13 -0.44 -0.04 0.00 2.81 0.00 0.00 57.97 60.44 1d6t h PHE 15 Cb 0.43 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.93 1d6t h PHE 15 CO -0.00 1.67 0.35 -0.56 -1.61 0.00 0.00 178.31 178.16 1d6t h GLN 16 N -0.02 1.16 -0.06 1.51 3.07 0.14 -1.23 115.11 119.67 1d6t h GLN 16 Ca -0.35 -0.19 0.02 0.00 0.09 0.00 0.00 58.65 58.22 1d6t h GLN 16 Cb 1.99 -0.20 -0.00 0.00 0.08 0.00 0.00 27.48 29.34 1d6t h GLN 16 CO 0.12 0.91 0.07 0.07 0.09 0.00 0.00 178.83 180.09 1d6t h ARG 17 N 1.14 0.00 0.14 0.06 0.11 -0.15 0.18 114.38 115.86 1d6t h ARG 17 Ca 0.27 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.34 1d6t h ARG 17 Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 1d6t h ARG 17 CO -0.03 0.00 -0.07 0.82 0.10 0.00 0.00 179.97 180.79 1d6t h ILE 18 N 0.00 0.13 0.00 0.08 2.04 -1.35 -3.24 117.51 115.17 1d6t h ILE 18 Ca 0.03 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1d6t h ILE 18 Cb 0.16 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1d6t h ILE 18 CO -0.00 0.04 0.00 -1.22 0.00 0.00 0.00 178.15 176.97 1d6t n TYR 19 N -4.90 0.65 0.00 1.37 4.02 -0.90 0.83 117.16 118.23 1d6t n TYR 19 Ca -0.03 0.34 0.00 0.00 -0.01 0.00 0.00 57.90 58.20 1d6t n TYR 19 Cb 0.11 -1.04 0.00 0.00 -0.02 0.00 0.00 39.34 38.39 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 -2.17 0.00 0.00 -0.72 3.00 0.61 -4.50 118.16 114.38 1d6t n LYS 20 Ca -0.01 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1d6t n LYS 20 Cb 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 35.03 34.15 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 -0.50 0.45 -0.95 1.64 4.81 -1.21 -5.08 118.16 117.32 1d6t n LYS 21 Ca 0.00 -0.77 -0.37 0.00 -0.87 0.00 0.00 58.31 56.30 1d6t n LYS 21 Cb 0.00 -0.92 0.05 0.00 0.02 0.00 0.00 35.03 34.19 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 -0.16 -3.58 3.06 3.14 0.00 0.24 -4.85 105.19 103.04 1d6t n GLY 22 Ca 0.00 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.05 3.68 0.36 1.61 2.46 0.52 -4.94 115.29 116.92 1d6t s HIS 23 Ca 0.41 -2.79 -0.08 0.00 0.47 0.00 0.00 55.06 53.07 1d6t s HIS 23 Cb -0.06 -3.04 -0.06 0.00 -0.13 0.00 0.00 32.58 29.29 1d6t s HIS 23 CO 0.73 -0.95 0.68 -1.54 -2.47 0.00 0.00 174.74 171.19 1d6t s SER 24 N 1.21 6.49 0.00 9.88 1.04 -1.26 -2.58 113.70 128.48 1d6t s SER 24 Ca 0.10 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.49 1d6t s SER 24 Cb -0.21 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1d6t s SER 24 CO -0.06 -0.32 0.00 1.33 0.98 0.00 0.00 173.24 175.17 1d6t n VAL 25 N -1.17 0.00 0.00 5.02 0.24 -0.80 -4.98 118.33 116.65 1d6t n VAL 25 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 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 -0.09 2.33 0.00 -1.26 -3.92 120.51 114.57 1d6t n ALA 26 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1d6t n ALA 26 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 1.94 0.00 0.00 0.23 -1.02 -4.96 115.26 111.45 1d6t n ASN 27 Ca 0.00 0.33 0.00 0.00 -0.53 0.00 0.00 54.58 54.38 1d6t n ASN 27 Cb 0.00 -0.75 0.00 0.00 -2.08 0.00 0.00 39.78 36.95 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 -4.44 0.00 0.00 -3.83 1.74 -1.26 -4.96 116.66 103.91 1d6t n ARG 28 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 1d6t n ARG 28 Cb 0.55 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.99 1d6t n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1d6t n GLN 29 N -1.87 2.30 -4.18 5.56 0.00 -1.26 -5.00 117.38 112.93 1d6t n GLN 29 Ca 0.00 -0.24 -0.35 0.00 0.00 0.00 0.00 57.00 56.41 1d6t n GLN 29 Cb 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 30.24 29.43 1d6t n GLN 29 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1d6t s PHE 30 N -0.40 3.23 -0.16 2.61 0.40 -1.26 -1.09 117.98 121.31 1d6t s PHE 30 Ca 0.00 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.45 1d6t s PHE 30 Cb 0.00 -1.94 0.03 0.00 0.51 0.00 0.00 43.02 41.62 1d6t s PHE 30 CO 0.00 0.31 -0.11 0.54 0.70 0.00 0.00 175.22 176.65 1d6t s VAL 31 N -0.24 1.47 -0.29 -0.44 0.11 0.24 -2.43 120.40 118.83 1d6t s VAL 31 Ca 0.07 -0.70 -0.12 0.00 -2.93 0.00 0.00 61.98 58.30 1d6t s VAL 31 Cb -0.12 -1.47 -0.04 0.00 -1.53 0.00 0.00 36.38 33.22 1d6t s VAL 31 CO 0.02 0.32 0.23 0.68 -3.33 0.00 0.00 175.10 173.02 1d6t s VAL 32 N 1.51 5.28 -0.31 2.04 -7.23 -1.25 0.25 120.40 120.69 1d6t s VAL 32 Ca 0.03 0.16 -0.15 0.00 -1.81 0.00 0.00 61.98 60.21 1d6t s VAL 32 Cb -0.14 -3.60 -0.02 0.00 0.56 0.00 0.00 36.38 33.18 1d6t s VAL 32 CO -0.09 0.18 0.39 -0.31 -0.31 0.00 0.00 175.10 174.96 1d6t s TYR 33 N 1.81 3.22 0.35 2.82 1.51 0.43 -1.90 117.35 125.59 1d6t s TYR 33 Ca 0.08 0.23 0.07 0.00 -1.01 0.00 0.00 57.07 56.44 1d6t s TYR 33 Cb -0.16 -2.66 -0.07 0.00 -0.11 0.00 0.00 41.96 38.96 1d6t s TYR 33 CO 0.11 -0.34 -0.02 0.95 -1.11 0.00 0.00 175.55 175.14 1d6t s THR 34 N 2.10 1.79 0.39 -0.71 -4.23 -1.07 -1.05 115.64 112.87 1d6t s THR 34 Ca 0.14 -2.07 0.08 0.00 -1.18 0.00 0.00 61.69 58.66 1d6t s THR 34 Cb -0.16 -2.75 -0.06 0.00 1.34 0.00 0.00 72.50 70.87 1d6t s THR 34 CO 0.11 -0.11 0.09 0.00 -0.54 0.00 0.00 174.62 174.16 1d6t h ASN 36 N 1.62 -0.18 -3.00 0.00 -1.24 -1.94 -3.45 115.58 107.39 1d6t h ASN 36 Ca -0.43 0.01 0.01 0.00 0.71 0.00 0.00 56.30 56.59 1d6t h ASN 36 Cb 1.25 0.05 -0.00 0.00 0.73 0.00 0.00 38.32 40.34 1d6t h ASN 36 CO 0.73 0.09 -0.01 -3.20 -1.29 0.00 0.00 177.43 173.74 1d6t n ASN 37 N -3.78 -2.18 0.05 1.15 2.85 -1.26 -4.94 115.26 107.15 1d6t n ASN 37 Ca -0.03 0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1d6t n ASN 37 Cb 0.08 -0.11 0.00 0.00 1.24 0.00 0.00 39.78 40.99 1d6t n ASN 37 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1d6t n LYS 38 N -0.81 0.00 -2.70 1.20 -0.00 -1.26 -5.04 118.16 109.55 1d6t n LYS 38 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 1d6t n LYS 38 Cb 0.02 0.00 0.06 0.00 -0.00 0.00 0.00 35.03 35.10 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 -2.80 0.33 -0.40 -1.58 1.02 -1.26 -5.16 120.64 110.79 1d6t n GLU 39 Ca 0.00 -1.11 -0.06 0.00 -0.02 0.00 0.00 57.16 55.97 1d6t n GLU 39 Cb 0.00 -0.61 0.04 0.00 -0.02 0.00 0.00 31.44 30.85 1d6t n GLU 39 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1d6t n ILE 40 N 1.88 0.00 -0.84 -3.67 3.06 -1.26 -5.02 119.36 113.51 1d6t n ILE 40 Ca 0.07 -0.20 0.00 0.00 -2.50 0.00 0.00 62.75 60.12 1d6t n ILE 40 Cb 0.66 -1.88 0.00 0.00 0.54 0.00 0.00 39.64 38.96 1d6t n ILE 40 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1d6t n ASP 41 N -3.17 0.29 -3.44 9.51 8.00 -1.26 -5.00 116.55 121.49 1d6t n ASP 41 Ca 0.03 -1.13 -0.11 0.00 0.71 0.00 0.00 54.79 54.29 1d6t n ASP 41 Cb 0.12 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 1d6t n ASP 41 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1d6t s HIS 42 N -0.13 -0.50 0.29 1.24 -3.43 -1.26 -3.91 115.29 107.58 1d6t s HIS 42 Ca 0.00 0.31 0.03 0.00 -0.80 0.00 0.00 55.06 54.60 1d6t s HIS 42 Cb 0.00 0.56 0.03 0.00 -1.43 0.00 0.00 32.58 31.73 1d6t s HIS 42 CO 0.00 -0.79 0.23 1.97 -2.00 0.00 0.00 174.74 174.15 1d6t n PHE 43 N -0.35 -1.14 -3.69 0.38 -1.74 -1.26 -2.58 117.46 107.09 1d6t n PHE 43 Ca -0.15 -1.21 -0.29 0.00 -0.56 0.00 0.00 57.45 55.24 1d6t n PHE 43 Cb 0.64 -0.24 -0.16 0.00 1.52 0.00 0.00 39.48 41.25 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 -3.19 0.55 -0.60 3.97 0.52 -1.24 0.00 118.95 118.96 1d6t s ARG 44 Ca 0.17 -0.66 -0.21 0.00 -0.52 0.00 0.00 55.73 54.52 1d6t s ARG 44 Cb -0.01 -1.85 0.08 0.00 0.52 0.00 0.00 34.95 33.69 1d6t s ARG 44 CO 0.11 -0.85 0.82 -0.51 0.02 0.00 0.00 175.30 174.89 1d6t s LEU 45 N 1.84 4.82 0.08 2.53 1.43 -0.96 -0.24 118.68 128.19 1d6t s LEU 45 Ca 0.05 -1.09 0.08 0.00 -1.03 0.00 0.00 54.13 52.14 1d6t s LEU 45 Cb -0.17 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 1d6t s LEU 45 CO -0.20 -1.22 -0.21 -0.83 0.23 0.00 0.00 176.35 174.11 1d6t s GLY 46 N 3.45 1.23 -0.09 -3.19 0.00 -0.84 -4.41 107.32 103.48 1d6t s GLY 46 Ca 0.18 -1.20 0.01 0.00 0.00 0.00 0.00 44.72 43.71 1d6t s GLY 46 CO 0.10 -1.17 -0.11 -0.42 0.00 0.00 0.00 173.10 171.49 1d6t s ILE 47 N -1.02 3.28 0.03 0.90 1.09 -1.26 -3.14 121.20 121.08 1d6t s ILE 47 Ca 0.08 -0.62 0.02 0.00 -1.10 0.00 0.00 60.65 59.03 1d6t s ILE 47 Cb -0.10 -2.34 -0.02 0.00 -1.06 0.00 0.00 42.46 38.95 1d6t s ILE 47 CO 0.03 0.56 -0.07 -0.44 -0.10 0.00 0.00 174.94 174.92 1d6t s SER 48 N -0.33 0.82 0.22 3.58 0.01 -1.25 -5.02 113.70 111.74 1d6t s SER 48 Ca 0.04 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 56.87 1d6t s SER 48 Cb -0.13 0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.06 1d6t s SER 48 CO 0.02 -0.13 0.06 -0.69 0.41 0.00 0.00 173.24 172.92 1d6t s VAL 49 N -1.05 0.57 0.38 3.43 1.01 -1.26 -2.12 120.40 121.36 1d6t s VAL 49 Ca -0.07 -1.99 0.02 0.00 0.00 0.00 0.00 61.98 59.94 1d6t s VAL 49 Cb -0.08 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1d6t s VAL 49 CO 0.00 -0.18 0.57 -0.55 0.00 0.00 0.00 175.10 174.94 1d6t s SER 50 N -3.25 6.02 0.00 3.32 0.15 -1.26 -4.85 113.70 113.84 1d6t s SER 50 Ca 0.33 0.20 0.22 0.00 0.70 0.00 0.00 55.95 57.40 1d6t s SER 50 Cb 0.07 -1.61 0.23 0.00 -1.71 0.00 0.00 66.02 63.00 1d6t s SER 50 CO 0.10 -0.48 1.25 0.29 1.20 0.00 0.00 173.24 175.60 1d6t n LYS 51 N -1.84 2.21 -0.01 5.44 5.02 -1.26 -4.05 118.16 123.67 1d6t n LYS 51 Ca -0.01 -1.94 0.08 0.00 -2.02 0.00 0.00 58.31 54.42 1d6t n LYS 51 Cb 0.57 -1.45 -0.13 0.00 -0.02 0.00 0.00 35.03 34.01 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 1.31 0.55 -0.13 1.97 4.76 -1.26 -4.62 118.16 120.74 1d6t n LYS 52 Ca 0.14 -0.15 -0.03 0.00 -2.87 0.00 0.00 58.31 55.40 1d6t n LYS 52 Cb 0.57 -1.40 -0.03 0.00 -1.84 0.00 0.00 35.03 32.33 1d6t n LYS 52 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1d6t n LEU 53 N -2.06 -0.33 0.00 -0.35 7.94 -1.26 -4.93 117.00 116.00 1d6t n LEU 53 Ca -0.03 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 1d6t n LEU 53 Cb 0.43 -0.35 0.00 0.00 0.53 0.00 0.00 43.42 44.03 1d6t n LEU 53 CO 0.36 -0.74 0.00 0.61 -1.11 0.00 0.00 177.39 176.51 1d6t n GLY 54 N -1.08 -0.89 0.00 -3.96 0.00 -1.26 -4.95 105.19 93.05 1d6t n GLY 54 Ca 0.01 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 0.00 0.00 -0.02 1.61 5.15 -1.26 -5.02 115.26 115.72 1d6t n ASN 55 Ca 0.00 0.00 0.06 0.00 -0.60 0.00 0.00 54.58 54.04 1d6t n ASN 55 Cb 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.10 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 2.51 -0.06 5.20 0.00 -1.26 -4.03 120.51 119.87 1d6t n ALA 56 Ca 0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 53.44 52.82 1d6t n ALA 56 Cb 0.00 -0.56 0.16 0.00 0.00 0.00 0.00 19.45 19.05 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 1.25 0.00 0.00 3.04 -1.98 0.12 116.25 118.68 1d6t h VAL 57 Ca -0.08 -1.15 -0.03 0.00 -1.01 0.00 0.00 66.70 64.44 1d6t h VAL 57 Cb 1.07 1.09 -0.00 0.00 -2.01 0.00 0.00 31.29 31.44 1d6t h VAL 57 CO 0.00 0.39 -0.13 0.17 -1.01 0.00 0.00 177.57 176.99 1d6t h LEU 58 N 0.63 0.00 -0.10 3.16 8.10 -1.94 -2.65 115.31 122.50 1d6t h LEU 58 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.10 1d6t h LEU 58 Cb 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.80 1d6t h LEU 58 CO 0.04 0.13 -0.48 -1.14 -4.11 0.00 0.00 178.44 172.88 1d6t n ARG 59 N -3.16 0.17 -0.04 0.17 0.63 -0.67 -3.16 116.66 110.60 1d6t n ARG 59 Ca 0.02 -0.10 -0.10 0.00 -0.92 0.00 0.00 57.85 56.75 1d6t n ARG 59 Cb 0.51 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.77 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 -1.32 0.79 0.07 6.15 3.02 0.34 -3.22 115.26 121.09 1d6t n ASN 60 Ca 0.07 0.32 -0.14 0.00 -0.03 0.00 0.00 54.58 54.79 1d6t n ASN 60 Cb 0.34 0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.54 1d6t n ASN 60 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1d6t h LYS 61 N 0.00 0.42 -0.22 3.52 3.64 -1.57 1.74 116.57 124.10 1d6t h LYS 61 Ca -0.35 -0.46 -0.11 0.00 -1.27 0.00 0.00 60.65 58.46 1d6t h LYS 61 Cb 2.06 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 34.00 1d6t h LYS 61 CO 0.07 1.13 -0.34 0.82 -2.27 0.00 0.00 179.45 178.85 1d6t h ILE 62 N 0.23 1.29 0.11 2.00 2.04 -1.69 -2.30 117.51 119.18 1d6t h ILE 62 Ca -0.09 -1.44 -0.31 0.00 1.00 0.00 0.00 64.86 64.03 1d6t h ILE 62 Cb 1.61 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 1d6t h ILE 62 CO 0.17 0.45 -1.62 0.50 0.00 0.00 0.00 178.15 177.65 1d6t h LYS 63 N 0.39 0.23 -0.25 2.37 3.64 -1.51 -3.26 116.57 118.18 1d6t h LYS 63 Ca 0.05 -0.39 0.03 0.00 -1.27 0.00 0.00 60.65 59.07 1d6t h LYS 63 Cb 0.79 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.69 1d6t h LYS 63 CO 0.06 1.19 -0.45 -0.09 -2.27 0.00 0.00 179.45 177.89 1d6t h ARG 64 N -0.24 -0.37 -0.42 1.90 2.43 0.27 0.86 114.38 118.80 1d6t h ARG 64 Ca -0.36 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 58.93 1d6t h ARG 64 Cb 1.82 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 31.37 1d6t h ARG 64 CO 0.04 -0.25 -0.12 0.00 -1.51 0.00 0.00 179.97 178.13 1d6t h ALA 65 N -0.36 0.25 -0.26 2.80 0.00 -1.60 0.33 119.26 120.42 1d6t h ALA 65 Ca 0.05 0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1d6t h ALA 65 Cb 0.51 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1d6t h ALA 65 CO -0.44 -0.47 -0.22 0.82 0.00 0.00 0.00 179.25 178.94 1d6t h ILE 66 N -0.02 0.42 0.00 0.00 2.04 -1.20 1.58 117.51 120.34 1d6t h ILE 66 Ca 0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.07 1d6t h ILE 66 Cb 0.33 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1d6t h ILE 66 CO -0.45 0.00 0.00 -1.14 0.00 0.00 0.00 178.15 176.56 1d6t n ARG 67 N -5.37 0.07 0.00 2.37 0.00 0.28 0.43 116.66 114.44 1d6t n ARG 67 Ca -0.00 0.26 0.06 0.00 -0.00 0.00 0.00 57.85 58.16 1d6t n ARG 67 Cb 0.28 -1.50 0.01 0.00 0.00 0.00 0.00 32.46 31.25 1d6t n ARG 67 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1d6t n GLU 68 N -1.41 1.70 0.00 -0.14 2.13 0.29 -4.20 120.64 119.01 1d6t n GLU 68 Ca 0.04 -0.78 0.01 0.00 0.66 0.00 0.00 57.16 57.09 1d6t n GLU 68 Cb 0.11 -1.15 -0.01 0.00 0.27 0.00 0.00 31.44 30.66 1d6t n GLU 68 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1d6t n ASN 69 N -0.03 0.13 0.00 4.31 5.15 0.46 -4.48 115.26 120.81 1d6t n ASN 69 Ca 0.05 -0.57 0.11 0.00 -0.60 0.00 0.00 54.58 53.57 1d6t n ASN 69 Cb 0.26 0.95 -0.04 0.00 -0.53 0.00 0.00 39.78 40.42 1d6t n ASN 69 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1d6t n PHE 70 N -0.98 0.02 0.48 1.20 3.72 0.17 -3.89 117.46 118.18 1d6t n PHE 70 Ca 0.00 0.01 0.09 0.00 -0.05 0.00 0.00 57.45 57.50 1d6t n PHE 70 Cb 0.03 -0.10 0.12 0.00 -0.94 0.00 0.00 39.48 38.59 1d6t n PHE 70 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1d6t n LYS 71 N -1.56 1.88 -0.10 -1.08 -0.00 -1.26 -3.12 118.16 112.92 1d6t n LYS 71 Ca 0.04 -1.81 -0.17 0.00 -0.00 0.00 0.00 58.31 56.37 1d6t n LYS 71 Cb 0.35 -1.38 -0.06 0.00 -0.00 0.00 0.00 35.03 33.94 1d6t n LYS 71 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1d6t n VAL 72 N 1.07 1.50 -0.83 0.58 0.24 -1.25 -4.46 118.33 115.17 1d6t n VAL 72 Ca 0.13 -0.04 0.08 0.00 -2.04 0.00 0.00 64.34 62.47 1d6t n VAL 72 Cb 0.48 -2.17 0.38 0.00 -1.47 0.00 0.00 33.84 31.06 1d6t n VAL 72 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1d6t n HIS 73 N -4.41 1.79 0.20 6.34 1.44 -1.25 -4.48 115.22 114.84 1d6t n HIS 73 Ca -0.28 -0.71 0.16 0.00 -2.01 0.00 0.00 57.72 54.88 1d6t n HIS 73 Cb 0.62 -0.41 0.64 0.00 0.12 0.00 0.00 29.99 30.95 1d6t n HIS 73 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 1d6t h LYS 74 N 3.78 0.00 0.00 -1.40 3.64 -1.76 1.88 116.57 122.71 1d6t h LYS 74 Ca 0.00 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 1d6t h LYS 74 Cb 1.77 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.55 1d6t h LYS 74 CO 0.39 0.00 -1.52 0.77 -2.27 0.00 0.00 179.45 176.82 1d6t h SER 75 N 0.00 0.00 1.68 4.20 0.02 -1.88 -3.30 113.55 114.28 1d6t h SER 75 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1d6t h SER 75 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1d6t h SER 75 CO -0.00 0.84 0.00 0.45 -1.14 0.00 0.00 176.83 176.98 1d6t h HIS 76 N 0.00 0.00 -3.51 3.45 3.86 0.25 -3.44 115.15 115.76 1d6t h HIS 76 Ca -0.22 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.47 1d6t h HIS 76 Cb 1.83 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.28 1d6t h HIS 76 CO 0.00 0.00 0.32 0.42 0.86 0.00 0.00 177.93 179.53 1d6t s ILE 77 N -3.32 4.63 0.55 2.45 1.09 0.41 -2.82 121.20 124.19 1d6t s ILE 77 Ca 0.06 1.97 0.07 0.00 -1.10 0.00 0.00 60.65 61.65 1d6t s ILE 77 Cb 0.07 -4.28 0.07 0.00 -1.06 0.00 0.00 42.46 37.26 1d6t s ILE 77 CO 0.63 0.29 0.62 0.00 -0.10 0.00 0.00 174.94 176.38 1d6t n LEU 78 N 3.03 0.00 0.00 2.97 -0.00 -1.19 -4.96 117.00 116.85 1d6t n LEU 78 Ca 0.02 -2.59 -0.12 0.00 -0.00 0.00 0.00 56.01 53.32 1d6t n LEU 78 Cb 0.50 -0.25 0.12 0.00 -0.00 0.00 0.00 43.42 43.78 1d6t n LEU 78 CO 0.50 -0.65 0.13 0.00 -0.00 0.00 0.00 177.39 177.38 1d6t n ALA 79 N -2.15 -2.06 -0.22 1.47 0.00 -1.26 -4.33 120.51 111.96 1d6t n ALA 79 Ca -0.15 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1d6t n ALA 79 Cb 0.60 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.96 0.00 -1.17 0.00 5.02 -1.06 -4.59 118.16 114.39 1d6t n LYS 80 Ca 0.05 0.21 -0.36 0.00 -2.02 0.00 0.00 58.31 56.19 1d6t n LYS 80 Cb 0.23 -0.01 0.07 0.00 -0.02 0.00 0.00 35.03 35.30 1d6t n LYS 80 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1d6t n ASP 81 N 0.00 -1.87 -3.61 4.39 9.92 -1.26 -3.59 116.55 120.53 1d6t n ASP 81 Ca 0.00 0.53 -0.15 0.00 -0.53 0.00 0.00 54.79 54.64 1d6t n ASP 81 Cb 0.00 -1.15 -0.07 0.00 -0.64 0.00 0.00 41.12 39.26 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 -1.99 0.00 -0.29 0.53 -1.16 0.67 -4.16 121.20 114.80 1d6t s ILE 82 Ca 0.62 -0.01 0.02 0.00 -0.51 0.00 0.00 60.65 60.76 1d6t s ILE 82 Cb -0.33 -0.96 0.18 0.00 0.61 0.00 0.00 42.46 41.97 1d6t s ILE 82 CO 0.62 -0.01 0.53 -0.63 -2.81 0.00 0.00 174.94 172.64 1d6t s ILE 83 N -0.14 -0.88 -0.98 2.00 1.01 -0.22 -1.98 121.20 120.02 1d6t s ILE 83 Ca -0.04 -0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.35 1d6t s ILE 83 Cb -0.03 -0.97 0.10 0.00 0.01 0.00 0.00 42.46 41.56 1d6t s ILE 83 CO 0.04 -0.07 1.28 0.68 0.00 0.00 0.00 174.94 176.87 1d6t s VAL 84 N 2.75 4.39 0.54 2.92 -7.23 -1.19 0.16 120.40 122.75 1d6t s VAL 84 Ca 0.14 -1.28 -0.10 0.00 -1.81 0.00 0.00 61.98 58.92 1d6t s VAL 84 Cb -0.13 -4.91 -0.05 0.00 0.56 0.00 0.00 36.38 31.86 1d6t s VAL 84 CO -0.24 -1.70 0.93 -0.63 -0.31 0.00 0.00 175.10 173.15 1d6t s ILE 85 N 3.62 4.74 -0.51 -0.62 1.09 0.69 -3.97 121.20 126.25 1d6t s ILE 85 Ca 0.39 0.73 -0.18 0.00 -1.10 0.00 0.00 60.65 60.49 1d6t s ILE 85 Cb -0.03 -3.83 0.07 0.00 -1.06 0.00 0.00 42.46 37.62 1d6t s ILE 85 CO -0.09 -0.91 0.57 0.00 -0.10 0.00 0.00 174.94 174.41 1d6t s ALA 86 N -2.87 3.45 0.00 9.38 0.00 -0.90 -0.59 121.76 130.22 1d6t s ALA 86 Ca 0.53 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1d6t s ALA 86 Cb -0.11 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1d6t s ALA 86 CO 0.45 -1.99 0.20 0.54 0.00 0.00 0.00 175.76 174.96 1d6t n ARG 87 N 5.90 0.00 0.13 0.00 5.12 -0.25 -3.99 116.66 123.58 1d6t n ARG 87 Ca -0.09 0.20 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 1d6t n ARG 87 Cb 0.44 -0.58 0.00 0.00 -1.16 0.00 0.00 32.46 31.16 1d6t n ARG 87 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1d6t n GLN 88 N -0.47 0.00 0.00 5.56 6.02 -1.26 -4.75 117.38 122.48 1d6t n GLN 88 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 1d6t n GLN 88 Cb 0.00 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.29 1d6t n GLN 88 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1d6t n PRO 89 N -3.07 0.75 0.00 -1.09 -0.04 -1.26 -3.26 135.00 127.03 1d6t n PRO 89 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1d6t n PRO 89 Cb 0.00 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.52 2.47 0.08 0.55 0.00 -1.26 -3.06 120.51 118.76 1d6t n ALA 90 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.25 1d6t n ALA 90 Cb 0.00 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.31 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 0.01 0.34 0.00 0.00 2.10 -1.89 -3.21 116.57 113.92 1d6t h LYS 91 Ca 0.00 -0.58 0.00 0.00 -2.00 0.00 0.00 60.65 58.07 1d6t h LYS 91 Cb 0.13 0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 1d6t h LYS 91 CO 0.00 1.23 0.00 -0.25 -2.00 0.00 0.00 179.45 178.43 1d6t n ASP 92 N -3.54 0.00 -2.58 7.07 8.00 -1.17 -4.79 116.55 119.54 1d6t n ASP 92 Ca -0.20 -0.50 -0.00 0.00 0.71 0.00 0.00 54.79 54.80 1d6t n ASP 92 Cb 1.06 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 42.05 1d6t n ASP 92 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1d6t n MET 93 N -1.12 -1.17 -3.61 -1.24 2.81 -1.22 -5.10 117.12 106.49 1d6t n MET 93 Ca 0.16 -0.01 -0.12 0.00 -1.81 0.00 0.00 57.70 55.92 1d6t n MET 93 Cb 0.13 -0.01 -0.05 0.00 -0.71 0.00 0.00 33.22 32.58 1d6t n MET 93 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1d6t s THR 94 N -1.01 0.05 0.66 2.03 -4.23 -1.26 -4.99 115.64 106.90 1d6t s THR 94 Ca 0.00 -0.39 0.18 0.00 -1.18 0.00 0.00 61.69 60.30 1d6t s THR 94 Cb -0.00 -1.03 0.18 0.00 1.34 0.00 0.00 72.50 72.99 1d6t s THR 94 CO 0.00 -0.22 1.54 0.74 -0.54 0.00 0.00 174.62 176.14 1d6t h THR 95 N 2.67 0.01 0.02 3.99 2.02 -1.99 0.78 112.91 120.41 1d6t h THR 95 Ca -0.32 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 1d6t h THR 95 Cb 1.23 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1d6t h THR 95 CO 0.43 0.00 -0.15 0.25 0.37 0.00 0.00 175.52 176.42 1d6t h LEU 96 N 0.00 0.10 0.03 2.58 7.12 -1.97 -3.27 115.31 119.91 1d6t h LEU 96 Ca 0.01 -0.94 -0.00 0.00 0.13 0.00 0.00 57.88 57.08 1d6t h LEU 96 Cb 1.25 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.34 1d6t h LEU 96 CO -0.00 1.03 -0.02 1.56 -0.13 0.00 0.00 178.44 180.88 1d6t h GLN 97 N -0.82 -0.04 -1.31 1.25 4.20 0.05 -1.41 115.11 117.02 1d6t h GLN 97 Ca -0.03 0.00 0.38 0.00 0.06 0.00 0.00 58.65 59.07 1d6t h GLN 97 Cb 1.07 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.81 1d6t h GLN 97 CO 0.03 0.20 1.10 0.82 -0.67 0.00 0.00 178.83 180.31 1d6t h ILE 98 N -0.28 0.15 0.17 2.54 2.04 -0.91 1.70 117.51 122.91 1d6t h ILE 98 Ca -0.00 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.51 1d6t h ILE 98 Cb 0.26 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1d6t h ILE 98 CO 0.01 0.00 -1.79 1.56 0.00 0.00 0.00 178.15 177.93 1d6t h GLN 99 N 0.00 0.35 0.00 2.37 4.20 -1.46 -3.27 115.11 117.31 1d6t h GLN 99 Ca 0.62 -0.60 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1d6t h GLN 99 Cb 2.82 0.22 0.00 0.00 0.30 0.00 0.00 27.48 30.82 1d6t h GLN 99 CO -0.01 1.29 0.00 -0.91 -0.67 0.00 0.00 178.83 178.53 1d6t h ASN 100 N 0.06 0.00 0.28 1.46 2.35 0.31 -3.03 115.58 117.00 1d6t h ASN 100 Ca -0.36 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.37 1d6t h ASN 100 Cb 2.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.43 1d6t h ASN 100 CO 0.14 0.00 -0.13 0.28 -1.65 0.00 0.00 177.43 176.07 1d6t h SER 101 N 0.00 -0.31 -0.26 5.81 0.02 0.95 -2.97 113.55 116.78 1d6t h SER 101 Ca 0.00 -0.20 0.08 0.00 -0.84 0.00 0.00 61.79 60.83 1d6t h SER 101 Cb 0.42 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1d6t h SER 101 CO 0.00 0.17 0.57 -0.07 -1.14 0.00 0.00 176.83 176.36 1d6t h LEU 102 N -0.94 0.00 0.00 5.07 3.38 -1.58 1.89 115.31 123.13 1d6t h LEU 102 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1d6t h LEU 102 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1d6t h LEU 102 CO 0.06 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.97 1d6t n GLU 103 N -3.16 0.22 0.00 1.13 -0.58 -1.12 -3.23 120.64 113.90 1d6t n GLU 103 Ca 0.04 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1d6t n GLU 103 Cb 0.68 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 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 -1.27 -0.00 -0.30 -0.32 -0.00 0.61 -4.62 115.22 109.31 1d6t n HIS 104 Ca 0.07 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.27 1d6t n HIS 104 Cb 0.11 0.45 0.06 0.00 -0.12 0.00 0.00 29.99 30.49 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 -2.34 -0.39 -0.14 3.57 3.14 0.59 0.26 118.33 123.01 1d6t n VAL 105 Ca 0.00 1.88 -0.10 0.00 -2.96 0.00 0.00 64.34 63.16 1d6t n VAL 105 Cb 0.00 -2.52 -0.01 0.00 -1.06 0.00 0.00 33.84 30.25 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 0.66 -1.49 6.55 5.85 -1.68 -1.60 115.31 123.60 1d6t h LEU 106 Ca 0.32 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1d6t h LEU 106 Cb 0.53 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1d6t h LEU 106 CO -0.81 0.76 0.58 0.11 -0.34 0.00 0.00 178.44 178.74 1d6t h LYS 107 N 0.53 0.00 0.11 1.25 1.57 0.35 1.12 116.57 121.50 1d6t h LYS 107 Ca 0.12 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.55 1d6t h LYS 107 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1d6t h LYS 107 CO 0.01 0.00 -1.97 -0.89 -0.57 0.00 0.00 179.45 176.03 1d6t n ILE 108 N -3.01 1.76 -0.35 1.86 5.41 0.04 -4.07 119.36 121.00 1d6t n ILE 108 Ca 0.03 -0.67 -0.01 0.00 1.00 0.00 0.00 62.75 63.09 1d6t n ILE 108 Cb 0.66 -1.65 0.12 0.00 -0.71 0.00 0.00 39.64 38.07 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 0.18 1.24 -0.77 -1.39 0.00 0.18 -3.47 119.26 115.23 1d6t h ALA 109 Ca -0.41 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1d6t h ALA 109 Cb 2.03 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1d6t h ALA 109 CO 0.09 0.52 0.00 1.63 0.00 0.00 0.00 179.25 181.48 1d6t n LYS 110 N -4.47 0.00 -0.85 0.00 5.02 0.31 -4.95 118.16 113.22 1d6t n LYS 110 Ca 0.12 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.40 1d6t n LYS 110 Cb 0.07 -2.52 0.29 0.00 -0.02 0.00 0.00 35.03 32.86 1d6t n LYS 110 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1d6t n VAL 111 N -2.61 2.73 -3.67 -0.18 0.24 -1.26 -4.87 118.33 108.71 1d6t n VAL 111 Ca 0.00 -1.81 -0.15 0.00 -2.04 0.00 0.00 64.34 60.34 1d6t n VAL 111 Cb 0.47 -0.32 -0.14 0.00 -1.47 0.00 0.00 33.84 32.37 1d6t n VAL 111 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 1d6t s PHE 112 N -2.97 -0.31 0.34 6.34 -0.71 -1.26 -3.19 117.98 116.21 1d6t s PHE 112 Ca 0.51 0.79 0.13 0.00 -1.04 0.00 0.00 56.93 57.32 1d6t s PHE 112 Cb 0.41 -0.12 1.08 0.00 -1.21 0.00 0.00 43.02 43.18 1d6t s PHE 112 CO 0.11 -0.30 1.54 0.09 -1.34 0.00 0.00 175.22 175.31 1d6t n ASN 113 N 5.21 0.15 0.00 1.98 3.02 -1.13 -4.70 115.26 119.79 1d6t n ASN 113 Ca -0.08 1.64 0.00 0.00 -0.03 0.00 0.00 54.58 56.11 1d6t n ASN 113 Cb 0.50 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 1d6t n ASN 113 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1d6t n LYS 114 N -5.32 0.00 0.00 3.52 4.81 -1.26 -5.09 118.16 114.82 1d6t n LYS 114 Ca 0.31 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 1d6t n LYS 114 Cb 1.05 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.10 1d6t n LYS 114 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1d6t n LYS 115 N 0.00 0.00 -1.60 1.64 2.85 -1.26 -5.08 118.16 114.71 1d6t n LYS 115 Ca 0.00 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 1d6t n LYS 115 Cb 0.00 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1d6t n LYS 115 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1d6t n ILE 116 N 0.00 2.12 -1.28 0.58 5.41 -1.26 -5.21 119.36 119.71 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 -1.07 0.00 0.00 -0.71 0.00 0.00 39.64 37.86 1d6t n ILE 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72