#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1d s LYS 2 N 0.00 3.59 -0.12 2.12 2.20 -1.26 -4.95 119.74 121.32 1n1d s LYS 2 Ca 0.00 0.33 -0.10 0.00 -0.36 0.00 0.00 55.97 55.84 1n1d s LYS 2 Cb 0.00 -3.95 -0.05 0.00 -1.51 0.00 0.00 37.83 32.32 1n1d s LYS 2 CO 0.00 -1.43 0.20 0.15 -0.36 0.00 0.00 175.35 173.91 1n1d s LYS 3 N 4.39 3.76 0.13 4.03 1.02 -1.26 -0.22 119.74 131.58 1n1d s LYS 3 Ca 0.43 -0.03 0.10 0.00 0.02 0.00 0.00 55.97 56.49 1n1d s LYS 3 Cb -0.08 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.92 1n1d s LYS 3 CO 0.28 0.61 -0.22 0.08 -0.92 0.00 0.00 175.35 175.18 1n1d s VAL 4 N -0.59 2.55 0.02 3.17 1.01 0.17 -0.36 120.40 126.37 1n1d s VAL 4 Ca 0.15 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 60.47 1n1d s VAL 4 Cb -0.13 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 1n1d s VAL 4 CO 0.04 0.07 -0.03 -0.51 0.00 0.00 0.00 175.10 174.67 1n1d s ILE 5 N -1.16 0.16 -0.01 2.22 2.07 -0.60 -0.53 121.20 123.36 1n1d s ILE 5 Ca 0.16 -0.84 -0.11 0.00 -1.41 0.00 0.00 60.65 58.46 1n1d s ILE 5 Cb -0.10 -0.28 0.01 0.00 0.13 0.00 0.00 42.46 42.22 1n1d s ILE 5 CO 0.08 -0.43 0.23 0.28 -1.91 0.00 0.00 174.94 173.19 1n1d s THR 6 N -1.29 0.07 0.07 4.00 -1.32 -0.80 -2.39 115.64 113.97 1n1d s THR 6 Ca -0.13 -0.55 0.10 0.00 -1.21 0.00 0.00 61.69 59.89 1n1d s THR 6 Cb -0.09 -0.52 -0.03 0.00 -1.51 0.00 0.00 72.50 70.35 1n1d s THR 6 CO -0.01 -0.30 -0.26 -0.31 -2.21 0.00 0.00 174.62 171.53 1n1d s TYR 7 N -1.28 2.30 0.00 9.09 1.51 -1.26 -1.30 117.35 126.41 1n1d s TYR 7 Ca -0.13 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.52 1n1d s TYR 7 Cb -0.06 -1.34 0.00 0.00 -0.11 0.00 0.00 41.96 40.44 1n1d s TYR 7 CO 0.03 0.18 0.00 0.41 -1.11 0.00 0.00 175.55 175.06 1n1d n GLY 8 N 1.55 0.74 0.12 0.71 0.00 -0.72 -4.98 105.19 102.61 1n1d n GLY 8 Ca -0.17 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 44.74 1n1d n GLY 8 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1n1d h THR 9 N 0.25 0.97 -5.99 2.61 2.02 -1.89 0.77 112.91 111.64 1n1d h THR 9 Ca 0.00 -2.35 -0.40 0.00 0.77 0.00 0.00 66.41 64.43 1n1d h THR 9 Cb 0.00 2.61 0.08 0.00 -1.74 0.00 0.00 68.15 69.10 1n1d h THR 9 CO 0.00 0.66 -0.81 0.49 0.37 0.00 0.00 175.52 176.23 1n1d n PHE 10 N -3.97 -2.02 -3.06 3.16 3.01 -1.26 -4.65 117.46 108.66 1n1d n PHE 10 Ca -0.27 0.87 -0.33 0.00 1.01 0.00 0.00 57.45 58.73 1n1d n PHE 10 Cb 0.87 -4.54 -0.06 0.00 -0.01 0.00 0.00 39.48 35.73 1n1d n PHE 10 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1n1d s ASP 11 N -4.28 6.86 -1.48 4.37 2.15 -1.26 -3.98 116.67 119.06 1n1d s ASP 11 Ca 0.05 1.39 -0.03 0.00 0.43 0.00 0.00 52.55 54.40 1n1d s ASP 11 Cb -0.03 -2.42 0.02 0.00 -0.30 0.00 0.00 42.92 40.20 1n1d s ASP 11 CO 0.79 -0.19 0.38 0.18 -0.17 0.00 0.00 175.17 176.16 1n1d n LEU 12 N -0.23 -1.91 -2.95 -1.34 4.77 -1.26 -4.65 117.00 109.44 1n1d n LEU 12 Ca 0.03 -1.06 -0.42 0.00 -0.03 0.00 0.00 56.01 54.53 1n1d n LEU 12 Cb 0.53 -2.08 -0.06 0.00 -2.33 0.00 0.00 43.42 39.48 1n1d n LEU 12 CO 0.41 0.42 0.72 -0.11 -1.33 0.00 0.00 177.39 177.50 1n1d n LEU 13 N -4.43 0.75 0.00 2.23 7.94 -1.26 -4.95 117.00 117.28 1n1d n LEU 13 Ca -0.26 0.73 -0.28 0.00 -1.11 0.00 0.00 56.01 55.09 1n1d n LEU 13 Cb 0.66 -0.55 -0.07 0.00 0.53 0.00 0.00 43.42 44.00 1n1d n LEU 13 CO 0.79 -0.52 -0.19 0.00 -1.11 0.00 0.00 177.39 176.35 1n1d n HIS 14 N 2.54 0.63 0.29 1.96 1.44 -1.26 -5.05 115.22 115.77 1n1d n HIS 14 Ca 0.20 -2.47 0.16 0.00 -2.01 0.00 0.00 57.72 53.60 1n1d n HIS 14 Cb -0.04 -0.16 0.88 0.00 0.12 0.00 0.00 29.99 30.79 1n1d n HIS 14 CO 0.00 0.00 0.00 0.11 -2.81 0.00 0.00 176.34 173.64 1n1d h TRP 15 N 1.45 0.00 -0.21 -1.40 5.08 -1.99 -2.16 115.95 116.72 1n1d h TRP 15 Ca -0.36 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.45 1n1d h TRP 15 Cb 1.20 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.35 1n1d h TRP 15 CO 0.00 0.05 -0.53 0.78 -1.28 0.00 0.00 178.44 177.46 1n1d h GLY 16 N 0.68 0.66 1.01 11.11 0.00 -1.93 -2.04 103.07 112.56 1n1d h GLY 16 Ca -0.00 -0.75 -0.12 0.00 0.00 0.00 0.00 47.33 46.46 1n1d h GLY 16 CO 0.01 0.67 -0.24 0.45 0.00 0.00 0.00 176.54 177.43 1n1d h HIS 17 N 0.46 0.93 -0.76 5.60 3.86 -1.81 -2.76 115.15 120.67 1n1d h HIS 17 Ca 0.01 -0.25 0.02 0.00 -1.16 0.00 0.00 60.37 58.99 1n1d h HIS 17 Cb 1.08 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 29.30 1n1d h HIS 17 CO 0.05 1.01 0.49 0.82 0.86 0.00 0.00 177.93 181.16 1n1d h ILE 18 N 0.58 1.16 0.00 2.45 1.08 -1.31 -0.79 117.51 120.67 1n1d h ILE 18 Ca 0.07 -0.34 -0.05 0.00 -0.39 0.00 0.00 64.86 64.15 1n1d h ILE 18 Cb 0.80 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 1n1d h ILE 18 CO 0.07 0.18 -0.23 0.11 -0.69 0.00 0.00 178.15 177.59 1n1d h LYS 19 N 0.99 0.00 -0.09 2.37 1.57 -1.32 -0.52 116.57 119.57 1n1d h LYS 19 Ca 0.29 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.92 1n1d h LYS 19 Cb -0.06 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.26 1n1d h LYS 19 CO -0.08 0.23 -0.53 1.25 -0.57 0.00 0.00 179.45 179.75 1n1d h LEU 20 N 0.00 0.62 -0.76 2.94 7.12 -1.00 -2.58 115.31 121.66 1n1d h LEU 20 Ca -0.00 -0.66 -0.12 0.00 0.13 0.00 0.00 57.88 57.23 1n1d h LEU 20 Cb 0.66 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.60 1n1d h LEU 20 CO 0.03 1.18 -0.40 -0.07 -0.13 0.00 0.00 178.44 179.05 1n1d h LEU 21 N 0.11 0.49 0.19 2.25 3.38 -0.92 -0.41 115.31 120.40 1n1d h LEU 21 Ca -0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1n1d h LEU 21 Cb 1.18 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1n1d h LEU 21 CO 0.11 0.84 -0.09 -0.08 0.09 0.00 0.00 178.44 179.31 1n1d h GLU 22 N 0.39 -0.24 0.00 1.13 4.81 -1.12 -1.89 114.58 117.65 1n1d h GLU 22 Ca 0.04 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1n1d h GLU 22 Cb 0.87 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.30 1n1d h GLU 22 CO 0.07 -0.03 -0.16 0.00 -0.73 0.00 0.00 179.01 178.16 1n1d h ARG 23 N -0.41 0.00 -0.00 1.92 3.08 -1.41 -2.13 114.38 115.43 1n1d h ARG 23 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1n1d h ARG 23 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1n1d h ARG 23 CO 0.04 0.16 -0.00 0.00 -1.07 0.00 0.00 179.97 179.09 1n1d h ALA 24 N 1.84 0.01 -0.19 0.04 0.00 -0.87 -3.14 119.26 116.95 1n1d h ALA 24 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1n1d h ALA 24 Cb 0.60 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1n1d h ALA 24 CO 0.02 -0.26 0.00 -0.22 0.00 0.00 0.00 179.25 178.80 1n1d h LYS 25 N -0.45 0.27 -0.00 0.00 1.63 -1.20 -1.72 116.57 115.10 1n1d h LYS 25 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1n1d h LYS 25 Cb 0.47 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1n1d h LYS 25 CO 0.00 0.30 0.04 1.96 -3.45 0.00 0.00 179.45 178.30 1n1d h GLN 26 N 0.27 0.00 0.00 1.90 4.20 -1.34 -2.21 115.11 117.94 1n1d h GLN 26 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1n1d h GLN 26 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1n1d h GLN 26 CO 0.00 0.00 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.04 1n1d h LEU 27 N 0.00 0.00 0.00 1.46 4.07 -1.35 -3.49 115.31 116.00 1n1d h LEU 27 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1n1d h LEU 27 Cb 0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1n1d h LEU 27 CO -0.00 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 177.98 1n1d n GLY 28 N 1.26 2.98 0.02 0.83 0.00 -0.83 -5.00 105.19 104.46 1n1d n GLY 28 Ca 0.05 -1.01 0.11 0.00 0.00 0.00 0.00 46.02 45.17 1n1d n GLY 28 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n1d n ASP 29 N -0.65 0.58 -3.72 1.61 8.00 0.69 -4.94 116.55 118.13 1n1d n ASP 29 Ca 0.00 -0.35 -0.12 0.00 0.71 0.00 0.00 54.79 55.02 1n1d n ASP 29 Cb 0.00 1.07 -0.10 0.00 -0.02 0.00 0.00 41.12 42.07 1n1d n ASP 29 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1n1d s TYR 30 N -3.21 -0.51 -0.18 1.24 5.04 -1.13 -5.00 117.35 113.61 1n1d s TYR 30 Ca 0.02 1.19 0.01 0.00 -2.44 0.00 0.00 57.07 55.86 1n1d s TYR 30 Cb 0.15 0.19 0.02 0.00 0.35 0.00 0.00 41.96 42.67 1n1d s TYR 30 CO 0.84 -0.26 -0.20 -1.17 -1.34 0.00 0.00 175.55 173.42 1n1d s LEU 31 N 0.51 2.13 -0.15 6.97 2.96 -1.26 -0.66 118.68 129.18 1n1d s LEU 31 Ca -0.02 -0.64 -0.09 0.00 -0.22 0.00 0.00 54.13 53.16 1n1d s LEU 31 Cb -0.04 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1n1d s LEU 31 CO -0.03 0.01 0.15 -0.69 -1.32 0.00 0.00 176.35 174.47 1n1d s VAL 32 N 1.25 5.45 -0.15 1.68 1.01 0.31 -2.08 120.40 127.87 1n1d s VAL 32 Ca 0.04 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1n1d s VAL 32 Cb -0.13 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1n1d s VAL 32 CO -0.12 0.54 -0.20 -0.69 0.00 0.00 0.00 175.10 174.63 1n1d s VAL 33 N -0.41 2.21 -0.39 2.92 1.01 0.12 -1.91 120.40 123.95 1n1d s VAL 33 Ca 0.12 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 1n1d s VAL 33 Cb -0.12 -1.90 0.06 0.00 0.00 0.00 0.00 36.38 34.42 1n1d s VAL 33 CO 0.02 0.54 0.21 0.00 0.00 0.00 0.00 175.10 175.87 1n1d s ALA 34 N 0.85 3.22 -0.11 5.51 0.00 -0.42 -1.06 121.76 129.75 1n1d s ALA 34 Ca -0.06 -1.99 -0.20 0.00 0.00 0.00 0.00 51.96 49.72 1n1d s ALA 34 Cb -0.15 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 1n1d s ALA 34 CO -0.02 -1.53 0.54 0.42 0.00 0.00 0.00 175.76 175.17 1n1d s ILE 35 N 1.43 5.14 0.20 0.00 1.01 -0.25 -1.75 121.20 126.97 1n1d s ILE 35 Ca 0.02 1.09 -0.33 0.00 0.00 0.00 0.00 60.65 61.43 1n1d s ILE 35 Cb -0.21 -3.88 -0.13 0.00 0.01 0.00 0.00 42.46 38.25 1n1d s ILE 35 CO 0.03 0.29 1.66 -1.20 0.00 0.00 0.00 174.94 175.72 1n1d n SER 36 N 3.81 3.64 -4.78 3.58 7.64 0.26 -0.21 113.62 127.57 1n1d n SER 36 Ca -0.05 1.07 -0.30 0.00 1.01 0.00 0.00 58.87 60.60 1n1d n SER 36 Cb 0.51 -1.52 0.11 0.00 -1.01 0.00 0.00 64.21 62.30 1n1d n SER 36 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1n1d s THR 37 N 0.99 2.94 0.40 0.44 -4.23 -0.54 -4.78 115.64 110.86 1n1d s THR 37 Ca 0.76 0.31 0.10 0.00 -1.18 0.00 0.00 61.69 61.67 1n1d s THR 37 Cb -0.57 -2.96 0.18 0.00 1.34 0.00 0.00 72.50 70.48 1n1d s THR 37 CO 0.35 -0.40 1.95 0.44 -0.54 0.00 0.00 174.62 176.42 1n1d h ASP 38 N -1.24 0.21 -0.17 3.99 3.32 -1.93 0.67 116.42 121.27 1n1d h ASP 38 Ca -0.48 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.50 1n1d h ASP 38 Cb 1.27 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1n1d h ASP 38 CO 0.58 0.34 -0.04 -0.33 -1.72 0.00 0.00 179.24 178.06 1n1d h GLU 39 N 0.22 0.33 -0.27 3.56 3.07 -1.95 -2.93 114.58 116.62 1n1d h GLU 39 Ca 0.05 -0.13 -0.11 0.00 -0.50 0.00 0.00 59.36 58.67 1n1d h GLU 39 Cb 0.31 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1n1d h GLU 39 CO 0.02 0.60 -0.30 0.35 -1.40 0.00 0.00 179.01 178.28 1n1d h PHE 40 N 0.04 0.62 -0.91 4.33 3.57 -1.64 -2.84 116.94 120.11 1n1d h PHE 40 Ca 0.04 -0.15 0.11 0.00 3.53 0.00 0.00 57.97 61.51 1n1d h PHE 40 Cb 0.48 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 39.00 1n1d h PHE 40 CO 0.05 0.78 0.59 -0.97 -2.23 0.00 0.00 178.31 176.53 1n1d h ASN 41 N 0.47 0.79 -0.33 0.41 -0.00 -0.81 0.12 115.58 116.23 1n1d h ASN 41 Ca 0.06 0.03 -0.03 0.00 -0.00 0.00 0.00 56.30 56.36 1n1d h ASN 41 Cb 0.75 -0.13 -0.02 0.00 -0.00 0.00 0.00 38.32 38.93 1n1d h ASN 41 CO 0.06 0.44 0.12 -0.07 -0.00 0.00 0.00 177.43 177.98 1n1d h LEU 42 N 0.86 0.51 -1.51 0.34 3.38 -1.32 -0.29 115.31 117.28 1n1d h LEU 42 Ca 0.44 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1n1d h LEU 42 Cb 0.50 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1n1d h LEU 42 CO -0.20 0.49 0.00 -0.61 0.09 0.00 0.00 178.44 178.21 1n1d h GLN 43 N 0.56 0.00 -0.64 1.13 5.75 -0.77 0.00 115.11 121.14 1n1d h GLN 43 Ca 0.13 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1n1d h GLN 43 Cb 0.17 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.72 1n1d h GLN 43 CO -0.01 0.00 0.00 1.63 -2.65 0.00 0.00 178.83 177.80 1n1d n LYS 44 N -3.04 3.54 -2.72 1.69 5.02 -0.26 -4.91 118.16 117.48 1n1d n LYS 44 Ca 0.00 -2.47 -0.21 0.00 -2.02 0.00 0.00 58.31 53.61 1n1d n LYS 44 Cb 0.29 -1.88 0.01 0.00 -0.02 0.00 0.00 35.03 33.42 1n1d n LYS 44 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1n1d n GLN 45 N 0.84 -3.24 -4.39 1.97 6.02 -0.01 -4.99 117.38 113.57 1n1d n GLN 45 Ca 0.22 0.92 -0.20 0.00 -0.01 0.00 0.00 57.00 57.93 1n1d n GLN 45 Cb 0.84 -5.68 -0.10 0.00 1.02 0.00 0.00 30.24 26.32 1n1d n GLN 45 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1n1d s LYS 46 N -5.38 1.45 -0.11 -1.09 1.02 -0.36 -4.99 119.74 110.27 1n1d s LYS 46 Ca 0.15 -1.70 -0.04 0.00 0.02 0.00 0.00 55.97 54.40 1n1d s LYS 46 Cb -0.07 -1.10 0.06 0.00 -0.52 0.00 0.00 37.83 36.19 1n1d s LYS 46 CO 0.19 0.08 0.17 0.21 -0.92 0.00 0.00 175.35 175.08 1n1d s LYS 47 N -3.71 0.07 0.18 1.68 2.36 -1.26 -2.93 119.74 116.13 1n1d s LYS 47 Ca 0.27 0.45 -0.26 0.00 -2.55 0.00 0.00 55.97 53.88 1n1d s LYS 47 Cb 0.02 -0.56 -0.08 0.00 -1.05 0.00 0.00 37.83 36.16 1n1d s LYS 47 CO 0.10 -0.40 0.80 0.00 1.55 0.00 0.00 175.35 177.40 1n1d s ALA 48 N 2.29 3.43 0.23 3.13 0.00 -1.26 -4.97 121.76 124.61 1n1d s ALA 48 Ca 0.04 0.40 -0.04 0.00 0.00 0.00 0.00 51.96 52.35 1n1d s ALA 48 Cb -0.13 -2.99 0.22 0.00 0.00 0.00 0.00 23.12 20.22 1n1d s ALA 48 CO -0.07 0.28 1.68 -0.92 0.00 0.00 0.00 175.76 176.73 1n1d h TYR 49 N 4.28 0.91 -3.20 0.00 3.20 -2.01 -3.41 116.97 116.74 1n1d h TYR 49 Ca -0.47 -0.17 -0.60 0.00 3.14 0.00 0.00 58.73 60.63 1n1d h TYR 49 Cb 1.21 -0.23 -0.09 0.00 1.54 0.00 0.00 36.73 39.16 1n1d h TYR 49 CO 0.64 0.89 -0.30 -1.01 -1.64 0.00 0.00 178.16 176.74 1n1d s HIS 50 N -4.80 3.52 0.95 -3.82 3.76 -1.26 -5.08 115.29 108.56 1n1d s HIS 50 Ca -0.10 0.68 -0.11 0.00 -0.15 0.00 0.00 55.06 55.38 1n1d s HIS 50 Cb 0.14 -2.32 0.16 0.00 1.11 0.00 0.00 32.58 31.66 1n1d s HIS 50 CO 0.83 0.33 1.09 -1.54 -0.85 0.00 0.00 174.74 174.60 1n1d s SER 51 N 0.13 2.86 0.12 1.40 1.04 -1.26 -4.69 113.70 113.30 1n1d s SER 51 Ca 0.18 1.64 -0.24 0.00 0.48 0.00 0.00 55.95 58.01 1n1d s SER 51 Cb -0.14 -2.29 -0.05 0.00 0.10 0.00 0.00 66.02 63.65 1n1d s SER 51 CO 0.06 -3.05 1.66 0.22 0.98 0.00 0.00 173.24 173.11 1n1d h TYR 52 N -1.83 -0.50 -0.77 5.02 3.20 -1.96 0.16 116.97 120.29 1n1d h TYR 52 Ca -0.51 0.02 0.14 0.00 3.14 0.00 0.00 58.73 61.52 1n1d h TYR 52 Cb 1.29 0.23 -0.14 0.00 1.54 0.00 0.00 36.73 39.65 1n1d h TYR 52 CO 0.41 -0.27 -0.30 1.49 -1.64 0.00 0.00 178.16 177.85 1n1d h GLU 53 N -0.29 -0.06 -0.03 1.82 4.81 -1.98 0.20 114.58 119.05 1n1d h GLU 53 Ca 0.07 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.14 1n1d h GLU 53 Cb 0.38 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1n1d h GLU 53 CO -0.20 -0.04 -0.70 0.45 -0.73 0.00 0.00 179.01 177.78 1n1d h HIS 54 N -0.06 0.21 -0.11 0.92 3.86 -1.81 -1.94 115.15 116.21 1n1d h HIS 54 Ca 0.32 -0.09 -0.12 0.00 -1.16 0.00 0.00 60.37 59.32 1n1d h HIS 54 Cb 0.58 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 1n1d h HIS 54 CO -0.70 0.80 -0.46 0.00 0.86 0.00 0.00 177.93 178.44 1n1d h ARG 55 N 0.10 0.26 -0.09 2.45 3.08 0.61 -2.80 114.38 118.00 1n1d h ARG 55 Ca -0.02 -0.14 -0.24 0.00 0.07 0.00 0.00 59.98 59.66 1n1d h ARG 55 Cb 1.25 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.32 1n1d h ARG 55 CO 0.10 0.67 -0.88 -0.22 -1.07 0.00 0.00 179.97 178.58 1n1d h LYS 56 N 0.22 0.73 0.14 0.04 3.64 -0.60 -2.69 116.57 118.05 1n1d h LYS 56 Ca 0.01 -0.67 0.01 0.00 -1.27 0.00 0.00 60.65 58.74 1n1d h LYS 56 Cb 0.90 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 1n1d h LYS 56 CO 0.07 1.26 -0.20 1.25 -2.27 0.00 0.00 179.45 179.56 1n1d h LEU 57 N 0.47 -0.57 -0.09 5.20 7.12 -1.23 0.04 115.31 126.25 1n1d h LEU 57 Ca -0.08 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 57.98 1n1d h LEU 57 Cb 1.52 0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 41.85 1n1d h LEU 57 CO 0.18 -0.29 0.03 0.40 -0.13 0.00 0.00 178.44 178.62 1n1d h ILE 58 N -0.40 1.18 -0.53 4.05 2.04 -1.59 -3.13 117.51 119.13 1n1d h ILE 58 Ca 0.02 -0.56 0.09 0.00 1.00 0.00 0.00 64.86 65.41 1n1d h ILE 58 Cb 0.41 1.38 -0.07 0.00 -0.74 0.00 0.00 36.82 37.80 1n1d h ILE 58 CO -0.10 0.16 0.13 0.25 0.00 0.00 0.00 178.15 178.60 1n1d h LEU 59 N -0.05 0.06 -2.08 1.44 7.12 -1.35 -0.84 115.31 119.60 1n1d h LEU 59 Ca 0.03 0.09 0.08 0.00 0.13 0.00 0.00 57.88 58.21 1n1d h LEU 59 Cb 0.23 0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.46 1n1d h LEU 59 CO -0.00 0.05 0.34 -0.33 -0.13 0.00 0.00 178.44 178.37 1n1d h GLU 60 N 0.28 0.00 0.00 1.25 5.08 -0.92 -0.96 114.58 119.31 1n1d h GLU 60 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1n1d h GLU 60 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1n1d h GLU 60 CO -0.32 0.00 -0.18 0.25 -1.00 0.00 0.00 179.01 177.75 1n1d n THR 61 N -3.68 0.38 -2.07 1.13 -2.24 -0.32 -4.83 114.28 102.64 1n1d n THR 61 Ca 0.04 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 1n1d n THR 61 Cb 0.48 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 1n1d n THR 61 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1n1d s ILE 62 N -3.09 3.36 0.50 2.28 -1.09 -0.37 -4.90 121.20 117.90 1n1d s ILE 62 Ca 0.10 0.78 0.24 0.00 -2.23 0.00 0.00 60.65 59.54 1n1d s ILE 62 Cb 0.14 -3.50 0.40 0.00 -1.58 0.00 0.00 42.46 37.92 1n1d s ILE 62 CO 0.62 -0.00 1.96 0.08 -1.23 0.00 0.00 174.94 176.37 1n1d h ARG 63 N 8.07 0.11 0.00 2.79 0.11 -1.88 -1.16 114.38 122.41 1n1d h ARG 63 Ca -0.40 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.67 1n1d h ARG 63 Cb 1.19 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1n1d h ARG 63 CO 0.92 0.07 0.00 1.88 0.10 0.00 0.00 179.97 182.94 1n1d h TYR 64 N 0.11 0.00 -3.58 4.08 -1.99 -1.91 -3.43 116.97 110.26 1n1d h TYR 64 Ca 0.31 0.00 -0.63 0.00 2.00 0.00 0.00 58.73 60.42 1n1d h TYR 64 Cb 1.08 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.67 1n1d h TYR 64 CO -0.00 0.00 0.01 0.08 -0.00 0.00 0.00 178.16 178.25 1n1d s VAL 65 N -3.55 5.02 -0.11 -2.88 1.01 -0.44 -4.49 120.40 114.95 1n1d s VAL 65 Ca 0.02 0.69 0.01 0.00 0.00 0.00 0.00 61.98 62.70 1n1d s VAL 65 Cb 0.09 -3.91 -0.25 0.00 0.00 0.00 0.00 36.38 32.31 1n1d s VAL 65 CO 0.51 -0.07 0.39 0.47 0.00 0.00 0.00 175.10 176.40 1n1d n ASP 66 N 5.70 1.65 -3.71 3.32 9.92 -0.88 -4.84 116.55 127.70 1n1d n ASP 66 Ca -0.04 0.23 -0.14 0.00 -0.53 0.00 0.00 54.79 54.32 1n1d n ASP 66 Cb 0.49 -0.51 -0.09 0.00 -0.64 0.00 0.00 41.12 40.37 1n1d n ASP 66 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1n1d s GLU 67 N -2.56 0.62 -0.03 -1.24 2.12 -1.16 -5.05 118.70 111.40 1n1d s GLU 67 Ca -0.18 0.30 0.06 0.00 0.36 0.00 0.00 54.97 55.52 1n1d s GLU 67 Cb 0.07 0.29 -0.01 0.00 0.26 0.00 0.00 34.13 34.74 1n1d s GLU 67 CO 0.78 -0.13 -0.22 0.08 -0.54 0.00 0.00 175.26 175.22 1n1d s VAL 68 N -0.45 1.78 0.09 3.70 1.01 -1.26 -0.70 120.40 124.58 1n1d s VAL 68 Ca -0.06 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1n1d s VAL 68 Cb -0.03 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1n1d s VAL 68 CO 0.03 0.50 -0.06 0.27 0.00 0.00 0.00 175.10 175.85 1n1d s ILE 69 N -0.31 0.57 0.25 2.22 -4.36 -0.22 -4.97 121.20 114.38 1n1d s ILE 69 Ca 0.03 -1.90 -0.25 0.00 -0.26 0.00 0.00 60.65 58.27 1n1d s ILE 69 Cb -0.11 -1.64 -0.09 0.00 1.25 0.00 0.00 42.46 41.87 1n1d s ILE 69 CO 0.01 -0.91 0.86 -2.84 0.24 0.00 0.00 174.94 172.30 1n1d s PRO 70 N -3.85 4.54 -0.41 0.37 0.02 -1.26 -1.09 135.00 133.31 1n1d s PRO 70 Ca 0.11 1.20 -0.14 0.00 0.02 0.00 0.00 61.00 62.19 1n1d s PRO 70 Cb 0.06 -2.98 0.02 0.00 0.02 0.00 0.00 34.50 31.62 1n1d s PRO 70 CO -0.06 0.40 0.29 -2.00 -0.33 0.00 0.00 177.00 175.30 1n1d s GLU 71 N -1.73 2.94 -0.20 5.54 2.12 0.70 -4.75 118.70 123.32 1n1d s GLU 71 Ca 0.44 -1.05 0.11 0.00 0.36 0.00 0.00 54.97 54.83 1n1d s GLU 71 Cb -0.20 -3.95 -0.22 0.00 0.26 0.00 0.00 34.13 30.02 1n1d s GLU 71 CO 0.25 -0.76 0.03 1.63 -0.54 0.00 0.00 175.26 175.87 1n1d n LYS 72 N 5.13 0.68 -3.97 4.30 5.02 -1.26 -1.47 118.16 126.59 1n1d n LYS 72 Ca -0.11 0.08 -0.09 0.00 -2.02 0.00 0.00 58.31 56.17 1n1d n LYS 72 Cb 0.47 -1.55 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 1n1d n LYS 72 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1n1d s ASN 73 N -5.95 -0.02 0.27 4.39 2.20 -1.26 -4.43 114.94 110.14 1n1d s ASN 73 Ca -0.18 -0.94 0.02 0.00 -0.94 0.00 0.00 52.86 50.81 1n1d s ASN 73 Cb 0.07 0.63 0.37 0.00 -2.00 0.00 0.00 41.25 40.32 1n1d s ASN 73 CO 0.75 -1.22 1.69 -0.50 -2.94 0.00 0.00 177.10 174.88 1n1d h TRP 74 N 2.19 0.53 0.00 1.54 4.06 -1.99 -3.31 115.95 118.96 1n1d h TRP 74 Ca -0.26 -0.13 -0.00 0.00 2.06 0.00 0.00 58.89 60.56 1n1d h TRP 74 Cb 1.25 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 29.29 1n1d h TRP 74 CO 0.56 0.73 -0.02 1.05 -3.56 0.00 0.00 178.44 177.20 1n1d h GLU 75 N 0.40 0.00 0.00 0.49 4.11 -2.05 -3.35 114.58 114.18 1n1d h GLU 75 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1n1d h GLU 75 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1n1d h GLU 75 CO 0.06 0.02 0.00 0.00 0.07 0.00 0.00 179.01 179.16 1n1d n GLN 76 N -3.11 0.06 0.05 1.06 10.64 -1.25 -3.73 117.38 121.10 1n1d n GLN 76 Ca 0.02 0.43 -0.11 0.00 -1.83 0.00 0.00 57.00 55.51 1n1d n GLN 76 Cb 0.42 -1.64 -0.04 0.00 -0.86 0.00 0.00 30.24 28.12 1n1d n GLN 76 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 1n1d h LYS 77 N 0.00 -0.34 -0.35 2.61 1.57 -1.84 0.20 116.57 118.41 1n1d h LYS 77 Ca 0.00 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1n1d h LYS 77 Cb 0.15 0.08 -0.09 0.00 0.08 0.00 0.00 32.23 32.45 1n1d h LYS 77 CO 0.00 -0.23 -0.34 0.87 -0.57 0.00 0.00 179.45 179.18 1n1d h LYS 78 N -0.35 -0.28 -0.21 3.15 1.57 -1.91 -0.87 116.57 117.67 1n1d h LYS 78 Ca 0.07 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 1n1d h LYS 78 Cb 0.45 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1n1d h LYS 78 CO -0.22 -0.19 -0.26 0.37 -0.57 0.00 0.00 179.45 178.58 1n1d h GLN 79 N -0.29 0.39 -0.01 3.15 5.75 -1.75 -2.95 115.11 119.40 1n1d h GLN 79 Ca 0.15 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1n1d h GLN 79 Cb 0.55 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.07 1n1d h GLN 79 CO -0.51 0.63 0.00 -0.44 -2.65 0.00 0.00 178.83 175.86 1n1d h ASP 80 N 0.35 0.02 -0.51 -0.69 3.45 -0.15 0.53 116.42 119.42 1n1d h ASP 80 Ca 0.05 -0.16 0.06 0.00 0.43 0.00 0.00 57.03 57.41 1n1d h ASP 80 Cb 0.64 -0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.38 1n1d h ASP 80 CO 0.05 0.17 0.34 0.40 -1.57 0.00 0.00 179.24 178.63 1n1d h ILE 81 N -0.14 0.98 -0.01 0.35 2.04 -1.12 0.33 117.51 119.94 1n1d h ILE 81 Ca 0.00 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 1n1d h ILE 81 Cb 0.16 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1n1d h ILE 81 CO -0.00 0.08 -0.18 0.40 0.00 0.00 0.00 178.15 178.45 1n1d h ILE 82 N 0.46 1.55 -0.99 -0.67 2.04 -1.33 -1.66 117.51 116.92 1n1d h ILE 82 Ca 0.22 -1.87 0.01 0.00 1.00 0.00 0.00 64.86 64.22 1n1d h ILE 82 Cb 0.29 2.74 -0.05 0.00 -0.74 0.00 0.00 36.82 39.06 1n1d h ILE 82 CO -0.06 0.51 0.65 0.44 0.00 0.00 0.00 178.15 179.69 1n1d h ASP 83 N -0.54 1.14 -0.56 1.72 3.32 -0.32 -2.92 116.42 118.25 1n1d h ASP 83 Ca -0.02 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1n1d h ASP 83 Cb 0.93 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1n1d h ASP 83 CO 0.04 0.83 0.00 1.41 -1.72 0.00 0.00 179.24 179.79 1n1d n HIS 84 N -4.39 0.74 -3.89 4.55 8.25 0.05 -4.98 115.22 115.56 1n1d n HIS 84 Ca 0.12 -0.37 -0.25 0.00 -0.26 0.00 0.00 57.72 56.96 1n1d n HIS 84 Cb 0.01 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.12 1n1d n HIS 84 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1n1d n ASN 85 N 1.51 -0.74 -4.75 0.41 3.02 -0.91 -4.92 115.26 108.87 1n1d n ASN 85 Ca 0.22 -0.95 -0.40 0.00 -0.03 0.00 0.00 54.58 53.42 1n1d n ASN 85 Cb 0.60 -3.36 -0.04 0.00 -0.61 0.00 0.00 39.78 36.37 1n1d n ASN 85 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1n1d s ILE 86 N -3.84 3.53 -0.08 2.41 -1.09 -0.67 -4.52 121.20 116.94 1n1d s ILE 86 Ca 0.04 1.49 0.12 0.00 -2.23 0.00 0.00 60.65 60.08 1n1d s ILE 86 Cb -0.02 -3.95 -0.18 0.00 -1.58 0.00 0.00 42.46 36.73 1n1d s ILE 86 CO 0.87 0.34 0.16 0.47 -1.23 0.00 0.00 174.94 175.54 1n1d n ASP 87 N 1.43 1.85 -3.81 3.58 9.92 0.51 -4.90 116.55 125.14 1n1d n ASP 87 Ca -0.00 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 54.05 1n1d n ASP 87 Cb 0.45 1.17 -0.17 0.00 -0.64 0.00 0.00 41.12 41.93 1n1d n ASP 87 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1n1d s VAL 88 N -2.59 0.38 -0.17 2.53 1.01 -0.74 -2.26 120.40 118.55 1n1d s VAL 88 Ca -0.06 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 1n1d s VAL 88 Cb 0.06 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1n1d s VAL 88 CO 0.54 0.23 0.04 0.12 0.00 0.00 0.00 175.10 176.04 1n1d s PHE 89 N 1.52 3.22 0.01 5.22 5.36 0.67 -1.55 117.98 132.42 1n1d s PHE 89 Ca -0.02 0.02 0.01 0.00 -0.96 0.00 0.00 56.93 55.98 1n1d s PHE 89 Cb -0.13 -2.05 -0.01 0.00 -0.34 0.00 0.00 43.02 40.49 1n1d s PHE 89 CO -0.03 0.14 -0.04 0.54 -1.46 0.00 0.00 175.22 174.37 1n1d s VAL 90 N 0.30 0.29 0.11 3.12 0.11 -1.00 -0.82 120.40 122.51 1n1d s VAL 90 Ca 0.02 -0.55 -0.11 0.00 -2.93 0.00 0.00 61.98 58.42 1n1d s VAL 90 Cb -0.13 -0.32 0.01 0.00 -1.53 0.00 0.00 36.38 34.41 1n1d s VAL 90 CO 0.01 -0.17 0.26 -0.04 -3.33 0.00 0.00 175.10 171.82 1n1d s MET 91 N -0.77 0.93 0.52 1.54 -1.94 -0.99 -4.39 119.30 114.21 1n1d s MET 91 Ca -0.05 -0.91 -0.21 0.00 -1.71 0.00 0.00 55.69 52.81 1n1d s MET 91 Cb -0.05 0.38 -0.06 0.00 2.01 0.00 0.00 34.83 37.11 1n1d s MET 91 CO -0.00 -0.32 1.16 0.20 -0.01 0.00 0.00 175.02 176.04 1n1d s GLY 92 N -2.85 2.70 0.00 -0.03 0.00 -1.26 -1.43 107.32 104.44 1n1d s GLY 92 Ca 0.05 0.90 0.01 0.00 0.00 0.00 0.00 44.72 45.68 1n1d s GLY 92 CO -0.10 1.30 0.31 2.09 0.00 0.00 0.00 173.10 176.70 1n1d n ASP 93 N -1.05 0.00 -0.05 1.64 3.85 0.25 -1.18 116.55 120.01 1n1d n ASP 93 Ca 0.10 -0.33 0.15 0.00 -0.71 0.00 0.00 54.79 54.00 1n1d n ASP 93 Cb 0.50 0.00 0.72 0.00 -1.35 0.00 0.00 41.12 40.99 1n1d n ASP 93 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 1n1d n ASP 94 N -0.60 0.21 -0.57 -1.12 3.85 -1.26 -2.49 116.55 114.57 1n1d n ASP 94 Ca 0.01 -0.45 0.05 0.00 -0.71 0.00 0.00 54.79 53.69 1n1d n ASP 94 Cb 0.00 -0.16 0.13 0.00 -1.35 0.00 0.00 41.12 39.75 1n1d n ASP 94 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 1n1d n TRP 95 N -1.09 0.37 -1.61 2.11 7.02 -0.32 -5.02 117.44 118.89 1n1d n TRP 95 Ca 0.16 -0.43 -0.51 0.00 -1.02 0.00 0.00 57.50 55.69 1n1d n TRP 95 Cb 0.24 -0.02 -0.06 0.00 -2.42 0.00 0.00 31.31 29.05 1n1d n TRP 95 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1n1d n GLU 96 N 0.46 1.36 0.00 -0.99 2.13 -1.04 -1.26 120.64 121.30 1n1d n GLU 96 Ca 0.10 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.41 1n1d n GLU 96 Cb 0.39 -2.16 0.00 0.00 0.27 0.00 0.00 31.44 29.94 1n1d n GLU 96 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1n1d n GLY 97 N 2.81 2.66 0.32 8.31 0.00 -1.26 -4.85 105.19 113.18 1n1d n GLY 97 Ca 0.19 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.41 1n1d n GLY 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n1d h LYS 98 N 0.16 0.00 -0.06 1.61 6.56 -1.58 -2.96 116.57 120.31 1n1d h LYS 98 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1n1d h LYS 98 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1n1d h LYS 98 CO 0.00 0.01 0.00 1.19 -2.06 0.00 0.00 179.45 178.59 1n1d n PHE 99 N -3.13 0.16 0.22 -1.35 3.01 -1.26 -4.71 117.46 110.40 1n1d n PHE 99 Ca -0.02 -0.82 0.08 0.00 1.01 0.00 0.00 57.45 57.70 1n1d n PHE 99 Cb 0.15 -0.14 0.37 0.00 -0.01 0.00 0.00 39.48 39.85 1n1d n PHE 99 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1n1d n ASP 100 N -0.94 0.36 0.00 4.37 8.00 -1.12 -1.56 116.55 125.67 1n1d n ASP 100 Ca 0.12 0.64 0.07 0.00 0.71 0.00 0.00 54.79 56.33 1n1d n ASP 100 Cb 0.55 -0.69 0.36 0.00 -0.02 0.00 0.00 41.12 41.32 1n1d n ASP 100 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1n1d n PHE 101 N -1.95 0.00 1.10 1.24 1.16 -1.26 -1.98 117.46 115.77 1n1d n PHE 101 Ca 0.00 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.70 1n1d n PHE 101 Cb 0.09 -0.33 0.22 0.00 -1.61 0.00 0.00 39.48 37.85 1n1d n PHE 101 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1n1d n LEU 102 N -1.33 0.95 0.27 5.98 4.77 -0.60 -4.32 117.00 122.71 1n1d n LEU 102 Ca 0.06 -0.26 0.18 0.00 -0.03 0.00 0.00 56.01 55.97 1n1d n LEU 102 Cb 0.13 -0.14 0.93 0.00 -2.33 0.00 0.00 43.42 42.02 1n1d n LEU 102 CO 0.12 0.20 1.15 0.11 -1.33 0.00 0.00 177.39 177.64 1n1d h LYS 103 N 0.76 0.00 0.00 3.23 1.57 -1.54 0.63 116.57 121.22 1n1d h LYS 103 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1n1d h LYS 103 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1n1d h LYS 103 CO 0.00 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.48 1n1d n ASP 104 N -3.45 0.00 -0.04 0.86 5.75 -1.26 -3.82 116.55 114.59 1n1d n ASP 104 Ca -0.01 -0.12 -0.06 0.00 -0.01 0.00 0.00 54.79 54.60 1n1d n ASP 104 Cb 0.26 -0.28 -0.04 0.00 -1.03 0.00 0.00 41.12 40.03 1n1d n ASP 104 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1n1d n GLN 105 N -1.28 0.21 -3.94 0.11 7.27 0.14 -5.11 117.38 114.77 1n1d n GLN 105 Ca 0.13 0.05 -0.12 0.00 0.07 0.00 0.00 57.00 57.13 1n1d n GLN 105 Cb 0.22 -1.15 -0.01 0.00 2.41 0.00 0.00 30.24 31.71 1n1d n GLN 105 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1n1d s GLU 107 N -2.62 4.46 -0.15 0.00 2.12 -0.96 -4.08 118.70 117.46 1n1d s GLU 107 Ca 0.23 1.34 -0.03 0.00 0.36 0.00 0.00 54.97 56.86 1n1d s GLU 107 Cb -0.03 -3.51 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 1n1d s GLU 107 CO 0.16 -0.20 -0.05 0.08 -0.54 0.00 0.00 175.26 174.71 1n1d s VAL 108 N 1.59 3.72 0.03 3.70 1.01 -1.26 -0.24 120.40 128.95 1n1d s VAL 108 Ca 0.48 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1n1d s VAL 108 Cb -0.19 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 1n1d s VAL 108 CO 0.21 0.49 -0.08 -0.69 0.00 0.00 0.00 175.10 175.03 1n1d s VAL 109 N 0.41 0.62 -0.09 2.92 1.01 0.00 -4.98 120.40 120.29 1n1d s VAL 109 Ca -0.05 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1n1d s VAL 109 Cb -0.15 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.62 1n1d s VAL 109 CO 0.03 -0.18 -0.21 -0.31 0.00 0.00 0.00 175.10 174.43 1n1d s TYR 110 N -0.96 2.27 -0.10 5.22 1.51 -1.26 -2.36 117.35 121.67 1n1d s TYR 110 Ca -0.05 -0.93 -0.03 0.00 -1.01 0.00 0.00 57.07 55.06 1n1d s TYR 110 Cb -0.08 -1.54 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 1n1d s TYR 110 CO 0.00 -0.39 0.02 -0.51 -1.11 0.00 0.00 175.55 173.56 1n1d s LEU 111 N 0.46 3.68 0.26 -1.29 1.43 -0.52 -4.75 118.68 117.95 1n1d s LEU 111 Ca -0.17 0.17 -0.31 0.00 -1.03 0.00 0.00 54.13 52.79 1n1d s LEU 111 Cb -0.17 -1.86 -0.12 0.00 0.03 0.00 0.00 46.19 44.07 1n1d s LEU 111 CO 0.07 0.36 1.65 -2.16 0.23 0.00 0.00 176.35 176.51 1n1d s PRO 112 N -0.78 4.12 0.90 1.29 0.04 -1.26 0.88 135.00 140.19 1n1d s PRO 112 Ca 0.12 2.60 -0.11 0.00 0.04 0.00 0.00 61.00 63.66 1n1d s PRO 112 Cb -0.12 -3.04 0.13 0.00 0.04 0.00 0.00 34.50 31.52 1n1d s PRO 112 CO 0.02 -0.69 1.11 1.03 0.04 0.00 0.00 177.00 178.51 1n1d s ARG 113 N 0.22 1.17 -0.51 4.56 0.52 -1.26 -4.80 118.95 118.85 1n1d s ARG 113 Ca 0.68 1.26 -0.23 0.00 -0.52 0.00 0.00 55.73 56.92 1n1d s ARG 113 Cb -0.49 -1.77 0.04 0.00 0.52 0.00 0.00 34.95 33.25 1n1d s ARG 113 CO 0.41 -2.43 0.83 0.99 0.02 0.00 0.00 175.30 175.12 1n1d s THR 114 N -2.74 4.57 0.38 0.02 2.01 -1.26 -5.02 115.64 113.59 1n1d s THR 114 Ca 0.65 0.18 -0.26 0.00 0.31 0.00 0.00 61.69 62.57 1n1d s THR 114 Cb -0.21 -4.42 -0.09 0.00 0.01 0.00 0.00 72.50 67.79 1n1d s THR 114 CO 0.58 -0.93 1.17 -1.61 -0.69 0.00 0.00 174.62 173.14 1n1d s GLU 115 N 3.48 4.16 0.00 4.92 0.41 -1.26 -3.90 118.70 126.51 1n1d s GLU 115 Ca 0.27 1.85 0.00 0.00 -0.41 0.00 0.00 54.97 56.68 1n1d s GLU 115 Cb -0.14 -2.76 0.00 0.00 -1.78 0.00 0.00 34.13 29.45 1n1d s GLU 115 CO 0.19 -0.23 0.00 0.41 -0.49 0.00 0.00 175.26 175.14 1n1d n GLY 116 N 0.69 0.42 3.17 -1.39 0.00 -1.26 -5.07 105.19 101.75 1n1d n GLY 116 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1n1d n GLY 116 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1n1d s ILE 117 N -2.00 0.01 0.02 -0.61 1.10 -1.25 -5.10 121.20 113.36 1n1d s ILE 117 Ca 0.00 -0.05 -0.28 0.00 -0.51 0.00 0.00 60.65 59.81 1n1d s ILE 117 Cb 0.00 -0.41 0.10 0.00 0.15 0.00 0.00 42.46 42.30 1n1d s ILE 117 CO 0.00 -0.03 0.86 -0.94 -2.11 0.00 0.00 174.94 172.72 1n1d s SER 118 N 0.01 -0.38 0.32 4.50 1.04 -1.26 -4.94 113.70 112.99 1n1d s SER 118 Ca -0.01 -0.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.40 1n1d s SER 118 Cb -0.02 0.41 0.51 0.00 0.10 0.00 0.00 66.02 67.02 1n1d s SER 118 CO 0.01 -0.67 1.96 0.74 0.98 0.00 0.00 173.24 176.26 1n1d h THR 119 N 2.00 1.19 -0.54 2.02 2.02 -1.93 -2.18 112.91 115.50 1n1d h THR 119 Ca -0.23 -0.43 -0.12 0.00 0.77 0.00 0.00 66.41 66.41 1n1d h THR 119 Cb 1.25 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1n1d h THR 119 CO 0.31 0.20 -0.11 0.74 0.37 0.00 0.00 175.52 177.03 1n1d h THR 120 N 0.96 1.27 -0.04 3.16 2.02 -1.99 -2.57 112.91 115.73 1n1d h THR 120 Ca 0.25 -1.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.16 1n1d h THR 120 Cb -0.04 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1n1d h THR 120 CO -0.05 0.45 0.02 0.50 0.37 0.00 0.00 175.52 176.81 1n1d h LYS 121 N 0.92 0.05 -0.68 6.66 3.64 -1.82 -0.14 116.57 125.20 1n1d h LYS 121 Ca 0.14 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.62 1n1d h LYS 121 Cb 0.69 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.42 1n1d h LYS 121 CO 0.05 0.11 0.30 0.82 -2.27 0.00 0.00 179.45 178.46 1n1d h ILE 122 N -0.02 0.78 -0.42 2.00 2.04 -1.36 0.45 117.51 120.97 1n1d h ILE 122 Ca 0.01 -0.17 -0.11 0.00 1.00 0.00 0.00 64.86 65.60 1n1d h ILE 122 Cb 0.07 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1n1d h ILE 122 CO -0.00 0.09 -0.15 0.11 0.00 0.00 0.00 178.15 178.19 1n1d h LYS 123 N 0.50 0.85 -0.20 2.37 1.57 -1.12 -1.26 116.57 119.27 1n1d h LYS 123 Ca 0.35 -0.35 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1n1d h LYS 123 Cb 0.43 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1n1d h LYS 123 CO -0.31 0.99 -0.50 0.93 -0.57 0.00 0.00 179.45 179.99 1n1d h GLU 124 N 0.67 0.54 0.00 3.15 5.08 -0.59 -3.15 114.58 120.28 1n1d h GLU 124 Ca 0.10 -0.32 -0.21 0.00 -1.00 0.00 0.00 59.36 57.94 1n1d h GLU 124 Cb 0.71 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1n1d h GLU 124 CO 0.05 0.92 -0.90 0.93 -1.00 0.00 0.00 179.01 179.01 1n1d h GLU 125 N 0.43 0.26 0.00 2.33 5.08 -0.90 -3.51 114.58 118.27 1n1d h GLU 125 Ca 0.02 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1n1d h GLU 125 Cb 1.02 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1n1d h GLU 125 CO 0.09 1.00 0.00 -0.89 -1.00 0.00 0.00 179.01 178.21