#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 3.16 -0.13 3.17 2.20 -1.26 -4.95 119.74 121.93 1n1d s LYS 2 Ca 0.00 -0.81 -0.15 0.00 -0.36 0.00 0.00 55.97 54.65 1n1d s LYS 2 Cb 0.00 -4.14 -0.05 0.00 -1.51 0.00 0.00 37.83 32.14 1n1d s LYS 2 CO 0.00 -1.44 0.36 0.15 -0.36 0.00 0.00 175.35 174.06 1n1d s LYS 3 N 3.20 4.22 0.11 4.03 1.02 -1.26 -0.11 119.74 130.94 1n1d s LYS 3 Ca 0.19 0.24 0.08 0.00 0.02 0.00 0.00 55.97 56.50 1n1d s LYS 3 Cb -0.18 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 1n1d s LYS 3 CO 0.12 0.29 -0.13 0.08 -0.92 0.00 0.00 175.35 174.79 1n1d s VAL 4 N 0.28 3.19 0.05 3.17 1.01 0.82 -1.11 120.40 127.81 1n1d s VAL 4 Ca 0.20 -1.35 0.03 0.00 0.00 0.00 0.00 61.98 60.86 1n1d s VAL 4 Cb -0.14 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1n1d s VAL 4 CO 0.07 0.11 -0.09 -0.51 0.00 0.00 0.00 175.10 174.68 1n1d s ILE 5 N -1.19 0.63 0.07 2.22 2.07 -0.02 -0.60 121.20 124.38 1n1d s ILE 5 Ca 0.20 -1.15 -0.12 0.00 -1.41 0.00 0.00 60.65 58.17 1n1d s ILE 5 Cb -0.11 -0.72 0.01 0.00 0.13 0.00 0.00 42.46 41.77 1n1d s ILE 5 CO 0.13 -0.38 0.27 0.28 -1.91 0.00 0.00 174.94 173.32 1n1d s THR 6 N -1.47 0.10 0.06 4.00 -1.32 -0.96 -1.51 115.64 114.54 1n1d s THR 6 Ca -0.08 -0.85 0.06 0.00 -1.21 0.00 0.00 61.69 59.61 1n1d s THR 6 Cb -0.09 -1.10 -0.03 0.00 -1.51 0.00 0.00 72.50 69.77 1n1d s THR 6 CO 0.00 -0.47 -0.16 -0.31 -2.21 0.00 0.00 174.62 171.47 1n1d s TYR 7 N -3.19 1.39 0.00 9.09 1.51 -1.26 -1.13 117.35 123.75 1n1d s TYR 7 Ca -0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 1n1d s TYR 7 Cb 0.01 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 41.07 1n1d s TYR 7 CO -0.07 0.08 0.00 0.41 -1.11 0.00 0.00 175.55 174.86 1n1d n GLY 8 N 1.53 -0.22 0.13 0.71 0.00 -1.06 -4.99 105.19 101.29 1n1d n GLY 8 Ca -0.19 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.61 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 0.75 0.78 -6.37 2.61 2.02 -1.91 -1.62 112.91 109.17 1n1d h THR 9 Ca 0.00 -2.30 -0.45 0.00 0.77 0.00 0.00 66.41 64.42 1n1d h THR 9 Cb 0.00 2.45 0.06 0.00 -1.74 0.00 0.00 68.15 68.92 1n1d h THR 9 CO 0.00 0.68 -0.93 0.49 0.37 0.00 0.00 175.52 176.13 1n1d n PHE 10 N -3.86 -1.85 0.00 3.16 3.01 -1.26 -4.70 117.46 111.96 1n1d n PHE 10 Ca -0.31 0.41 0.00 0.00 1.01 0.00 0.00 57.45 58.57 1n1d n PHE 10 Cb 0.91 -3.29 0.00 0.00 -0.01 0.00 0.00 39.48 37.09 1n1d n PHE 10 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1n1d n ASP 11 N -2.53 0.00 -4.56 4.37 2.03 -1.26 -4.68 116.55 109.92 1n1d n ASP 11 Ca -0.10 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.81 1n1d n ASP 11 Cb 0.59 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.95 1n1d n ASP 11 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1n1d s LEU 12 N 0.00 3.37 0.27 -2.67 1.43 -1.26 -4.94 118.68 114.88 1n1d s LEU 12 Ca 0.00 -1.02 -0.30 0.00 -1.03 0.00 0.00 54.13 51.78 1n1d s LEU 12 Cb 0.00 -2.56 -0.13 0.00 0.03 0.00 0.00 46.19 43.53 1n1d s LEU 12 CO 0.00 -1.78 1.44 0.18 0.23 0.00 0.00 176.35 176.42 1n1d n LEU 13 N 9.78 3.55 -4.17 1.79 4.77 -1.26 -4.82 117.00 126.62 1n1d n LEU 13 Ca 0.26 1.16 -0.12 0.00 -0.03 0.00 0.00 56.01 57.28 1n1d n LEU 13 Cb 0.50 -1.49 -0.09 0.00 -2.33 0.00 0.00 43.42 40.01 1n1d n LEU 13 CO 0.67 -0.31 -0.18 -1.38 -1.33 0.00 0.00 177.39 174.86 1n1d s HIS 14 N -0.25 1.06 0.47 -1.77 -3.43 -1.26 -5.04 115.29 105.08 1n1d s HIS 14 Ca 0.64 -1.30 0.25 0.00 -0.80 0.00 0.00 55.06 53.86 1n1d s HIS 14 Cb -0.59 -0.46 1.29 0.00 -1.43 0.00 0.00 32.58 31.39 1n1d s HIS 14 CO 0.52 -0.69 1.85 -1.49 -2.00 0.00 0.00 174.74 172.92 1n1d h TRP 15 N 2.57 0.30 -0.49 0.38 6.55 -1.99 0.11 115.95 123.37 1n1d h TRP 15 Ca -0.35 0.01 -0.11 0.00 0.95 0.00 0.00 58.89 59.40 1n1d h TRP 15 Cb 1.25 -0.09 -0.02 0.00 -0.86 0.00 0.00 29.16 29.44 1n1d h TRP 15 CO 0.37 0.06 -0.13 0.78 -1.05 0.00 0.00 178.44 178.47 1n1d h GLY 16 N 0.21 0.99 1.16 1.49 0.00 -1.95 -2.16 103.07 102.81 1n1d h GLY 16 Ca 0.49 -0.79 -0.14 0.00 0.00 0.00 0.00 47.33 46.88 1n1d h GLY 16 CO -0.12 0.73 -0.27 0.45 0.00 0.00 0.00 176.54 177.33 1n1d h HIS 17 N 0.82 1.09 0.02 5.60 3.86 -1.22 -2.93 115.15 122.40 1n1d h HIS 17 Ca 0.13 -0.28 -0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1n1d h HIS 17 Cb 0.66 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1n1d h HIS 17 CO 0.04 1.10 -0.01 0.82 0.86 0.00 0.00 177.93 180.74 1n1d h ILE 18 N 0.80 0.98 -0.37 2.45 1.08 -1.11 -2.30 117.51 119.04 1n1d h ILE 18 Ca 0.09 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.54 1n1d h ILE 18 Cb 0.84 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.56 1n1d h ILE 18 CO 0.07 0.00 0.12 0.11 -0.69 0.00 0.00 178.15 177.76 1n1d h LYS 19 N -0.02 0.53 0.01 2.37 1.79 -1.43 -0.94 116.57 118.88 1n1d h LYS 19 Ca -0.00 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1n1d h LYS 19 Cb 0.02 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 1n1d h LYS 19 CO 0.00 0.46 -0.01 1.25 -1.08 0.00 0.00 179.45 180.08 1n1d h LEU 20 N 0.52 -0.02 -0.97 2.94 7.12 -1.31 -1.66 115.31 121.94 1n1d h LEU 20 Ca 0.13 -0.16 -0.04 0.00 0.13 0.00 0.00 57.88 57.94 1n1d h LEU 20 Cb 0.16 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.26 1n1d h LEU 20 CO -0.01 0.15 0.30 -0.07 -0.13 0.00 0.00 178.44 178.68 1n1d h LEU 21 N -0.18 0.95 -0.12 2.25 3.38 -1.04 -0.10 115.31 120.44 1n1d h LEU 21 Ca -0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1n1d h LEU 21 Cb 0.18 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1n1d h LEU 21 CO 0.00 0.83 0.05 -0.08 0.09 0.00 0.00 178.44 179.34 1n1d h GLU 22 N 1.02 0.19 -0.25 1.13 4.81 -1.05 -1.50 114.58 118.92 1n1d h GLU 22 Ca 0.24 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.29 1n1d h GLU 22 Cb 0.17 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1n1d h GLU 22 CO -0.02 0.28 -0.46 0.00 -0.73 0.00 0.00 179.01 178.08 1n1d h ARG 23 N 0.05 0.66 -0.31 1.92 3.08 -1.14 -2.65 114.38 115.98 1n1d h ARG 23 Ca 0.04 -0.37 0.02 0.00 0.07 0.00 0.00 59.98 59.75 1n1d h ARG 23 Cb 0.17 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1n1d h ARG 23 CO -0.00 0.98 0.15 0.00 -1.07 0.00 0.00 179.97 180.02 1n1d h ALA 24 N 0.96 0.38 -0.56 0.04 0.00 -0.91 -2.99 119.26 116.17 1n1d h ALA 24 Ca 0.03 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1n1d h ALA 24 Cb 1.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1n1d h ALA 24 CO 0.09 -0.23 0.21 -0.22 0.00 0.00 0.00 179.25 179.10 1n1d h LYS 25 N 0.32 0.86 0.00 0.00 1.63 -1.19 -2.54 116.57 115.64 1n1d h LYS 25 Ca 0.13 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1n1d h LYS 25 Cb 0.05 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 1n1d h LYS 25 CO -0.09 0.75 0.00 0.00 -3.45 0.00 0.00 179.45 176.66 1n1d n GLN 26 N -4.47 0.69 0.00 1.90 10.64 -1.01 -1.59 117.38 123.53 1n1d n GLN 26 Ca 0.03 0.00 0.14 0.00 -1.83 0.00 0.00 57.00 55.34 1n1d n GLN 26 Cb 0.18 -1.46 0.63 0.00 -0.86 0.00 0.00 30.24 28.73 1n1d n GLN 26 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1n1d n LEU 27 N -0.96 0.48 0.00 2.61 7.94 -0.96 -4.94 117.00 121.17 1n1d n LEU 27 Ca 0.15 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 1n1d n LEU 27 Cb 0.07 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 43.86 1n1d n LEU 27 CO 0.11 0.09 0.00 0.61 -1.11 0.00 0.00 177.39 177.09 1n1d n GLY 28 N 1.25 2.69 0.01 -3.96 0.00 -0.62 -4.99 105.19 99.56 1n1d n GLY 28 Ca 0.15 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 1.97 -3.76 1.61 8.00 0.84 -4.97 116.55 120.24 1n1d n ASP 29 Ca 0.00 -0.07 -0.13 0.00 0.71 0.00 0.00 54.79 55.30 1n1d n ASP 29 Cb 0.00 1.53 -0.10 0.00 -0.02 0.00 0.00 41.12 42.52 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 -2.81 -0.35 -0.14 1.24 5.04 -1.08 -4.98 117.35 114.27 1n1d s TYR 30 Ca -0.04 0.82 0.01 0.00 -2.44 0.00 0.00 57.07 55.42 1n1d s TYR 30 Cb 0.08 0.12 0.02 0.00 0.35 0.00 0.00 41.96 42.54 1n1d s TYR 30 CO 0.52 -0.21 -0.14 -1.17 -1.34 0.00 0.00 175.55 173.21 1n1d s LEU 31 N -0.04 1.68 -0.15 6.97 2.96 -1.26 -0.13 118.68 128.71 1n1d s LEU 31 Ca -0.02 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.37 1n1d s LEU 31 Cb -0.03 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.48 1n1d s LEU 31 CO 0.01 -0.04 0.05 -0.69 -1.32 0.00 0.00 176.35 174.36 1n1d s VAL 32 N 1.34 4.68 -0.15 1.68 1.01 0.23 -1.69 120.40 127.50 1n1d s VAL 32 Ca 0.01 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1n1d s VAL 32 Cb -0.13 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.18 1n1d s VAL 32 CO -0.08 0.51 -0.19 -0.69 0.00 0.00 0.00 175.10 174.65 1n1d s VAL 33 N -0.04 2.32 -0.41 2.92 1.01 0.05 -2.27 120.40 123.97 1n1d s VAL 33 Ca 0.06 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 61.01 1n1d s VAL 33 Cb -0.12 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.32 1n1d s VAL 33 CO 0.01 0.53 0.29 0.00 0.00 0.00 0.00 175.10 175.94 1n1d s ALA 34 N 0.89 3.46 -0.15 5.51 0.00 -0.29 -1.49 121.76 129.70 1n1d s ALA 34 Ca -0.05 -1.74 -0.14 0.00 0.00 0.00 0.00 51.96 50.03 1n1d s ALA 34 Cb -0.15 -2.87 -0.05 0.00 0.00 0.00 0.00 23.12 20.05 1n1d s ALA 34 CO -0.03 -1.46 0.32 -1.50 0.00 0.00 0.00 175.76 173.09 1n1d s ILE 35 N 1.67 5.29 0.12 0.00 2.07 -0.13 -2.55 121.20 127.65 1n1d s ILE 35 Ca 0.05 0.60 -0.35 0.00 -1.41 0.00 0.00 60.65 59.54 1n1d s ILE 35 Cb -0.19 -3.65 -0.15 0.00 0.13 0.00 0.00 42.46 38.59 1n1d s ILE 35 CO 0.10 0.39 1.47 -1.20 -1.91 0.00 0.00 174.94 173.78 1n1d n SER 36 N 3.50 2.38 -4.80 4.50 7.64 -0.61 -0.38 113.62 125.85 1n1d n SER 36 Ca -0.11 1.10 -0.31 0.00 1.01 0.00 0.00 58.87 60.55 1n1d n SER 36 Cb 0.52 -1.31 0.07 0.00 -1.01 0.00 0.00 64.21 62.48 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 0.75 3.73 0.50 0.44 -4.23 0.75 -4.77 115.64 112.82 1n1d s THR 37 Ca 0.82 0.57 0.18 0.00 -1.18 0.00 0.00 61.69 62.07 1n1d s THR 37 Cb -0.82 -3.20 0.25 0.00 1.34 0.00 0.00 72.50 70.07 1n1d s THR 37 CO 0.43 -0.73 2.11 0.44 -0.54 0.00 0.00 174.62 176.32 1n1d h ASP 38 N -0.86 0.00 -0.38 3.99 3.32 -1.93 0.13 116.42 120.69 1n1d h ASP 38 Ca -0.44 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.51 1n1d h ASP 38 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1n1d h ASP 38 CO 0.54 0.07 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.63 1n1d h GLU 39 N 0.00 0.79 0.00 3.56 3.07 -1.94 -1.73 114.58 118.33 1n1d h GLU 39 Ca -0.00 -0.34 -0.12 0.00 -0.50 0.00 0.00 59.36 58.40 1n1d h GLU 39 Cb 0.12 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1n1d h GLU 39 CO 0.01 0.96 -0.59 0.35 -1.40 0.00 0.00 179.01 178.33 1n1d h PHE 40 N 0.59 0.00 -0.82 4.33 3.57 -1.48 -2.59 116.94 120.54 1n1d h PHE 40 Ca 0.09 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1n1d h PHE 40 Cb 0.71 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 1n1d h PHE 40 CO 0.06 0.59 0.38 -0.97 -2.23 0.00 0.00 178.31 176.14 1n1d h ASN 41 N 0.00 1.08 -0.89 0.41 -0.00 -0.56 -0.83 115.58 114.79 1n1d h ASN 41 Ca -0.01 -0.14 0.04 0.00 -0.00 0.00 0.00 56.30 56.20 1n1d h ASN 41 Cb 1.10 -0.28 -0.05 0.00 -0.00 0.00 0.00 38.32 39.09 1n1d h ASN 41 CO 0.08 0.92 0.57 0.25 -0.00 0.00 0.00 177.43 179.24 1n1d h LEU 42 N 1.17 0.93 -1.94 0.34 6.46 -0.93 0.50 115.31 121.84 1n1d h LEU 42 Ca 0.28 -0.00 0.04 0.00 -0.12 0.00 0.00 57.88 58.08 1n1d h LEU 42 Cb 0.14 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 1n1d h LEU 42 CO -0.03 0.63 0.14 1.56 -0.62 0.00 0.00 178.44 180.12 1n1d h GLN 43 N 1.09 0.08 -0.69 1.25 1.08 -0.90 0.40 115.11 117.41 1n1d h GLN 43 Ca 0.36 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.56 1n1d h GLN 43 Cb 0.04 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1n1d h GLN 43 CO -0.13 0.05 0.00 1.63 -0.95 0.00 0.00 178.83 179.43 1n1d n LYS 44 N -4.49 3.30 -3.80 1.46 5.02 0.07 -4.91 118.16 114.80 1n1d n LYS 44 Ca 0.01 -1.99 -0.26 0.00 -2.02 0.00 0.00 58.31 54.05 1n1d n LYS 44 Cb 0.22 -1.89 0.04 0.00 -0.02 0.00 0.00 35.03 33.38 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 0.49 -5.65 -4.06 1.97 6.02 0.14 -5.00 117.38 111.30 1n1d n GLN 45 Ca 0.18 0.64 -0.08 0.00 -0.01 0.00 0.00 57.00 57.72 1n1d n GLN 45 Cb 0.79 -5.45 -0.10 0.00 1.02 0.00 0.00 30.24 26.50 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 -6.36 0.52 -0.15 -1.09 1.02 -0.62 -5.00 119.74 108.05 1n1d s LYS 46 Ca 0.43 -0.98 -0.03 0.00 0.02 0.00 0.00 55.97 55.41 1n1d s LYS 46 Cb -0.21 0.10 0.05 0.00 -0.52 0.00 0.00 37.83 37.25 1n1d s LYS 46 CO 0.81 -0.07 0.06 0.21 -0.92 0.00 0.00 175.35 175.44 1n1d s LYS 47 N -2.88 0.32 0.47 1.68 2.20 -1.26 -2.79 119.74 117.48 1n1d s LYS 47 Ca -0.02 -0.12 -0.20 0.00 -0.36 0.00 0.00 55.97 55.27 1n1d s LYS 47 Cb 0.00 -1.67 -0.09 0.00 -1.51 0.00 0.00 37.83 34.56 1n1d s LYS 47 CO -0.06 -0.57 1.01 0.00 -0.36 0.00 0.00 175.35 175.37 1n1d s ALA 48 N 2.02 2.93 0.15 3.13 0.00 -1.26 -4.96 121.76 123.77 1n1d s ALA 48 Ca 0.02 0.51 0.13 0.00 0.00 0.00 0.00 51.96 52.61 1n1d s ALA 48 Cb -0.15 -3.21 0.28 0.00 0.00 0.00 0.00 23.12 20.03 1n1d s ALA 48 CO -0.07 -0.18 1.55 -0.92 0.00 0.00 0.00 175.76 176.13 1n1d h TYR 49 N 1.61 0.00 -3.06 0.00 3.20 -2.01 -3.43 116.97 113.28 1n1d h TYR 49 Ca -0.49 0.00 -0.62 0.00 3.14 0.00 0.00 58.73 60.75 1n1d h TYR 49 Cb 1.21 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 39.37 1n1d h TYR 49 CO 0.59 0.62 -0.49 -1.01 -1.64 0.00 0.00 178.16 176.23 1n1d s HIS 50 N -3.31 3.46 0.85 -3.82 3.76 -1.26 -5.08 115.29 109.89 1n1d s HIS 50 Ca 0.00 0.38 -0.10 0.00 -0.15 0.00 0.00 55.06 55.19 1n1d s HIS 50 Cb 0.11 -2.08 0.11 0.00 1.11 0.00 0.00 32.58 31.83 1n1d s HIS 50 CO 0.75 0.44 1.13 -1.54 -0.85 0.00 0.00 174.74 174.67 1n1d s SER 51 N -0.12 3.57 0.18 1.40 1.04 -1.26 -4.68 113.70 113.83 1n1d s SER 51 Ca 0.10 2.06 -0.14 0.00 0.48 0.00 0.00 55.95 58.45 1n1d s SER 51 Cb -0.11 -2.55 0.15 0.00 0.10 0.00 0.00 66.02 63.60 1n1d s SER 51 CO 0.00 -2.67 1.71 0.22 0.98 0.00 0.00 173.24 173.49 1n1d h TYR 52 N -1.52 0.10 -1.01 5.02 3.20 -1.96 0.62 116.97 121.42 1n1d h TYR 52 Ca -0.43 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.56 1n1d h TYR 52 Cb 1.26 0.02 -0.08 0.00 1.54 0.00 0.00 36.73 39.47 1n1d h TYR 52 CO 0.53 -0.02 0.64 0.93 -1.64 0.00 0.00 178.16 178.60 1n1d h GLU 53 N 0.19 1.04 0.03 1.82 4.39 -1.97 -0.54 114.58 119.54 1n1d h GLU 53 Ca 0.22 -0.06 -0.24 0.00 0.34 0.00 0.00 59.36 59.62 1n1d h GLU 53 Cb 0.29 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1n1d h GLU 53 CO -0.31 0.69 -1.14 0.45 -1.16 0.00 0.00 179.01 177.54 1n1d h HIS 54 N 1.07 0.13 -0.07 4.33 3.86 -1.67 -1.49 115.15 121.31 1n1d h HIS 54 Ca 0.47 -0.10 -0.10 0.00 -1.16 0.00 0.00 60.37 59.49 1n1d h HIS 54 Cb 0.37 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1n1d h HIS 54 CO -0.00 1.08 -0.42 0.00 0.86 0.00 0.00 177.93 179.45 1n1d h ARG 55 N 0.02 0.16 -0.12 2.45 3.08 -0.48 -2.57 114.38 116.93 1n1d h ARG 55 Ca -0.07 -0.08 -0.19 0.00 0.07 0.00 0.00 59.98 59.71 1n1d h ARG 55 Cb 1.85 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.90 1n1d h ARG 55 CO 0.14 0.56 -0.65 -0.22 -1.07 0.00 0.00 179.97 178.74 1n1d h LYS 56 N 0.14 0.66 -0.38 0.04 3.64 -1.08 -2.50 116.57 117.08 1n1d h LYS 56 Ca 0.01 -0.54 0.04 0.00 -1.27 0.00 0.00 60.65 58.89 1n1d h LYS 56 Cb 0.81 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.71 1n1d h LYS 56 CO 0.06 1.16 0.15 1.25 -2.27 0.00 0.00 179.45 179.80 1n1d h LEU 57 N 0.33 0.19 -0.21 5.20 7.12 -1.04 -1.63 115.31 125.26 1n1d h LEU 57 Ca -0.05 0.03 -0.12 0.00 0.13 0.00 0.00 57.88 57.88 1n1d h LEU 57 Cb 1.29 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 41.43 1n1d h LEU 57 CO 0.13 0.14 -0.34 -0.29 -0.13 0.00 0.00 178.44 177.96 1n1d h ILE 58 N 0.32 1.33 -0.78 4.05 2.10 -1.53 -3.24 117.51 119.76 1n1d h ILE 58 Ca 0.17 -1.55 0.10 0.00 1.08 0.00 0.00 64.86 64.66 1n1d h ILE 58 Cb 0.13 1.82 -0.07 0.00 -1.09 0.00 0.00 36.82 37.60 1n1d h ILE 58 CO -0.16 0.48 0.42 0.25 -1.08 0.00 0.00 178.15 178.06 1n1d h LEU 59 N 0.28 0.58 -1.47 2.19 7.12 -1.24 -0.92 115.31 121.84 1n1d h LEU 59 Ca 0.02 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.08 1n1d h LEU 59 Cb 0.92 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.00 1n1d h LEU 59 CO 0.08 0.33 0.02 -0.33 -0.13 0.00 0.00 178.44 178.41 1n1d h GLU 60 N 0.70 0.00 0.00 1.25 5.08 -1.32 -1.93 114.58 118.35 1n1d h GLU 60 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1n1d h GLU 60 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1n1d h GLU 60 CO -0.26 0.00 -1.07 0.25 -1.00 0.00 0.00 179.01 176.93 1n1d n THR 61 N -2.29 0.12 -2.08 1.13 -2.24 -0.35 -4.88 114.28 103.69 1n1d n THR 61 Ca -0.01 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 1n1d n THR 61 Cb 0.06 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 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 -3.18 3.11 0.16 2.28 1.01 -0.73 -4.87 121.20 118.98 1n1d s ILE 62 Ca 0.04 0.77 0.30 0.00 0.00 0.00 0.00 60.65 61.76 1n1d s ILE 62 Cb 0.15 -3.49 0.30 0.00 0.01 0.00 0.00 42.46 39.43 1n1d s ILE 62 CO 0.81 0.05 1.92 0.08 0.00 0.00 0.00 174.94 177.81 1n1d h ARG 63 N 7.02 0.00 0.00 2.79 0.11 -1.89 -2.00 114.38 120.41 1n1d h ARG 63 Ca -0.42 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.55 1n1d h ARG 63 Cb 1.20 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.27 1n1d h ARG 63 CO 0.89 0.00 -0.70 1.88 0.10 0.00 0.00 179.97 182.14 1n1d h TYR 64 N 0.00 0.00 -3.48 4.08 0.99 -1.92 -3.45 116.97 113.18 1n1d h TYR 64 Ca 0.00 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.13 1n1d h TYR 64 Cb 0.04 0.00 -0.11 0.00 1.00 0.00 0.00 36.73 37.66 1n1d h TYR 64 CO 0.00 0.50 -0.00 0.08 -0.00 0.00 0.00 178.16 178.74 1n1d s VAL 65 N -2.97 5.08 -0.12 -2.88 1.01 -0.75 -4.53 120.40 115.24 1n1d s VAL 65 Ca 0.02 0.98 0.16 0.00 0.00 0.00 0.00 61.98 63.15 1n1d s VAL 65 Cb 0.08 -3.86 -0.22 0.00 0.00 0.00 0.00 36.38 32.38 1n1d s VAL 65 CO 0.76 0.14 0.47 0.47 0.00 0.00 0.00 175.10 176.94 1n1d n ASP 66 N 5.04 0.48 -3.59 3.32 9.92 -0.68 -4.81 116.55 126.23 1n1d n ASP 66 Ca -0.04 0.22 -0.16 0.00 -0.53 0.00 0.00 54.79 54.28 1n1d n ASP 66 Cb 0.50 0.55 -0.07 0.00 -0.64 0.00 0.00 41.12 41.46 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 -2.71 0.93 -0.07 -1.24 2.12 -1.01 -5.01 118.70 111.71 1n1d s GLU 67 Ca -0.06 0.29 0.04 0.00 0.36 0.00 0.00 54.97 55.59 1n1d s GLU 67 Cb 0.08 0.44 0.00 0.00 0.26 0.00 0.00 34.13 34.91 1n1d s GLU 67 CO 0.83 -0.26 -0.17 0.08 -0.54 0.00 0.00 175.26 175.20 1n1d s VAL 68 N -0.94 1.50 0.20 3.70 1.01 -1.26 -0.77 120.40 123.84 1n1d s VAL 68 Ca -0.09 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.22 1n1d s VAL 68 Cb -0.02 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1n1d s VAL 68 CO 0.07 0.43 -0.08 0.27 0.00 0.00 0.00 175.10 175.80 1n1d s ILE 69 N 0.35 1.33 0.25 2.22 -4.36 -0.55 -4.97 121.20 115.46 1n1d s ILE 69 Ca -0.12 -2.10 -0.25 0.00 -0.26 0.00 0.00 60.65 57.92 1n1d s ILE 69 Cb -0.15 -2.12 -0.09 0.00 1.25 0.00 0.00 42.46 41.35 1n1d s ILE 69 CO 0.05 -0.53 0.85 -2.84 0.24 0.00 0.00 174.94 172.71 1n1d s PRO 70 N -3.75 4.56 -0.38 0.37 0.02 -1.26 -0.96 135.00 133.59 1n1d s PRO 70 Ca 0.23 1.21 -0.04 0.00 0.02 0.00 0.00 61.00 62.42 1n1d s PRO 70 Cb 0.03 -3.01 0.09 0.00 0.02 0.00 0.00 34.50 31.62 1n1d s PRO 70 CO 0.06 0.42 0.17 -2.00 -0.33 0.00 0.00 177.00 175.31 1n1d s GLU 71 N -1.66 2.28 -0.05 5.54 2.12 0.48 -4.74 118.70 122.67 1n1d s GLU 71 Ca 0.43 -1.57 0.21 0.00 0.36 0.00 0.00 54.97 54.40 1n1d s GLU 71 Cb -0.21 -3.54 -0.29 0.00 0.26 0.00 0.00 34.13 30.36 1n1d s GLU 71 CO 0.25 -0.92 0.45 1.63 -0.54 0.00 0.00 175.26 176.13 1n1d n LYS 72 N 4.69 0.66 -1.83 4.30 5.02 -1.26 -0.18 118.16 129.57 1n1d n LYS 72 Ca -0.07 -0.12 -0.03 0.00 -2.02 0.00 0.00 58.31 56.07 1n1d n LYS 72 Cb 0.42 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1n1d n LYS 72 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1n1d n ASN 73 N -2.41 -0.54 -0.01 4.39 0.23 -1.26 -4.36 115.26 111.30 1n1d n ASN 73 Ca -0.10 -1.43 -0.20 0.00 -0.53 0.00 0.00 54.58 52.32 1n1d n ASN 73 Cb 0.70 0.92 -0.14 0.00 -2.08 0.00 0.00 39.78 39.19 1n1d n ASN 73 CO 0.00 0.00 0.00 -0.50 -0.93 0.00 0.00 177.26 175.83 1n1d h TRP 74 N 1.26 0.34 -1.00 -2.53 4.06 -1.99 -3.39 115.95 112.69 1n1d h TRP 74 Ca -0.08 -0.25 0.19 0.00 2.06 0.00 0.00 58.89 60.81 1n1d h TRP 74 Cb 0.32 -0.01 -0.10 0.00 -1.00 0.00 0.00 29.16 28.36 1n1d h TRP 74 CO 0.00 1.40 0.61 1.49 -3.56 0.00 0.00 178.44 178.38 1n1d h GLU 75 N -0.52 0.71 -0.50 0.49 4.57 -2.05 -3.19 114.58 114.09 1n1d h GLU 75 Ca -0.22 -0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.06 1n1d h GLU 75 Cb 1.55 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.96 1n1d h GLU 75 CO 0.04 0.47 0.55 -0.56 -1.18 0.00 0.00 179.01 178.33 1n1d h GLN 76 N 0.73 0.00 -1.14 1.92 3.07 -2.01 -2.99 115.11 114.70 1n1d h GLN 76 Ca 0.58 0.00 0.33 0.00 0.09 0.00 0.00 58.65 59.65 1n1d h GLN 76 Cb 0.94 0.00 -0.11 0.00 0.08 0.00 0.00 27.48 28.39 1n1d h GLN 76 CO -0.37 0.00 0.73 0.87 0.09 0.00 0.00 178.83 180.15 1n1d h LYS 77 N 0.00 0.27 0.00 0.06 1.57 -1.86 0.06 116.57 116.67 1n1d h LYS 77 Ca 0.24 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1n1d h LYS 77 Cb 1.34 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1n1d h LYS 77 CO -0.00 0.18 0.00 0.36 -0.57 0.00 0.00 179.45 179.41 1n1d n LYS 78 N -4.67 0.00 0.25 3.15 2.85 -1.13 -2.62 118.16 115.99 1n1d n LYS 78 Ca 0.30 0.64 0.09 0.00 -1.05 0.00 0.00 58.31 58.29 1n1d n LYS 78 Cb 1.08 -1.49 0.64 0.00 -0.65 0.00 0.00 35.03 34.61 1n1d n LYS 78 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 1n1d h GLN 79 N 0.00 0.00 -0.36 -1.58 5.75 -1.66 -2.95 115.11 114.32 1n1d h GLN 79 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1n1d h GLN 79 Cb 0.00 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1n1d h GLN 79 CO 0.00 0.13 0.22 -0.44 -2.65 0.00 0.00 178.83 176.09 1n1d h ASP 80 N 0.00 0.42 -0.55 -0.69 3.45 -0.91 -0.39 116.42 117.75 1n1d h ASP 80 Ca -0.00 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.42 1n1d h ASP 80 Cb 0.27 -0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 38.90 1n1d h ASP 80 CO 0.02 0.34 0.35 0.40 -1.57 0.00 0.00 179.24 178.77 1n1d h ILE 81 N 0.47 1.15 0.20 0.35 1.08 -1.31 -1.54 117.51 117.91 1n1d h ILE 81 Ca 0.13 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 1n1d h ILE 81 Cb -0.02 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 34.08 1n1d h ILE 81 CO -0.03 0.15 -0.10 0.40 -0.69 0.00 0.00 178.15 177.89 1n1d h ILE 82 N 0.76 0.60 -0.84 -0.67 2.04 -1.53 -1.17 117.51 116.70 1n1d h ILE 82 Ca 0.20 -1.03 0.07 0.00 1.00 0.00 0.00 64.86 65.10 1n1d h ILE 82 Cb -0.06 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1n1d h ILE 82 CO -0.04 0.16 0.55 0.44 0.00 0.00 0.00 178.15 179.26 1n1d h ASP 83 N -0.95 0.82 -0.60 1.72 3.32 -1.01 -2.43 116.42 117.31 1n1d h ASP 83 Ca -0.03 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1n1d h ASP 83 Cb 0.47 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1n1d h ASP 83 CO 0.05 0.53 0.00 1.41 -1.72 0.00 0.00 179.24 179.50 1n1d n HIS 84 N -4.49 0.87 -4.05 4.55 8.25 -0.59 -4.96 115.22 114.81 1n1d n HIS 84 Ca 0.13 -0.42 -0.30 0.00 -0.26 0.00 0.00 57.72 56.87 1n1d n HIS 84 Cb 0.21 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 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 1.22 -0.90 -4.73 0.41 3.02 -0.91 -4.90 115.26 108.46 1n1d n ASN 85 Ca 0.20 -1.13 -0.41 0.00 -0.03 0.00 0.00 54.58 53.22 1n1d n ASN 85 Cb 0.54 -2.48 -0.05 0.00 -0.61 0.00 0.00 39.78 37.19 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 -3.99 4.33 -0.14 2.41 -1.09 -0.47 -4.59 121.20 117.66 1n1d s ILE 86 Ca 0.11 2.01 0.14 0.00 -2.23 0.00 0.00 60.65 60.67 1n1d s ILE 86 Cb -0.05 -4.28 -0.19 0.00 -1.58 0.00 0.00 42.46 36.35 1n1d s ILE 86 CO 0.93 0.34 0.09 0.47 -1.23 0.00 0.00 174.94 175.54 1n1d n ASP 87 N 2.49 1.26 -3.88 3.58 9.92 -0.26 -4.84 116.55 124.81 1n1d n ASP 87 Ca 0.02 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 54.07 1n1d n ASP 87 Cb 0.48 0.97 -0.17 0.00 -0.64 0.00 0.00 41.12 41.77 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 -2.45 0.58 -0.20 2.53 1.01 -0.90 -2.18 120.40 118.78 1n1d s VAL 88 Ca -0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 1n1d s VAL 88 Cb 0.05 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 1n1d s VAL 88 CO 0.63 0.25 -0.04 0.12 0.00 0.00 0.00 175.10 176.05 1n1d s PHE 89 N 1.10 2.97 0.04 5.22 5.36 -0.36 -0.84 117.98 131.46 1n1d s PHE 89 Ca -0.08 -0.69 0.04 0.00 -0.96 0.00 0.00 56.93 55.24 1n1d s PHE 89 Cb -0.14 -2.05 -0.02 0.00 -0.34 0.00 0.00 43.02 40.47 1n1d s PHE 89 CO -0.01 -0.36 -0.11 0.14 -1.46 0.00 0.00 175.22 173.41 1n1d s VAL 90 N 1.09 0.89 0.12 3.12 -7.23 -0.57 -0.96 120.40 116.85 1n1d s VAL 90 Ca 0.01 -0.92 -0.10 0.00 -1.81 0.00 0.00 61.98 59.16 1n1d s VAL 90 Cb -0.15 -0.83 0.00 0.00 0.56 0.00 0.00 36.38 35.97 1n1d s VAL 90 CO 0.00 -0.08 0.25 -0.04 -0.31 0.00 0.00 175.10 174.93 1n1d s MET 91 N -1.13 0.98 0.52 4.82 -1.94 -1.02 -4.35 119.30 117.18 1n1d s MET 91 Ca -0.01 -0.99 -0.21 0.00 -1.71 0.00 0.00 55.69 52.77 1n1d s MET 91 Cb -0.08 0.37 -0.06 0.00 2.01 0.00 0.00 34.83 37.08 1n1d s MET 91 CO 0.01 -0.34 1.16 0.20 -0.01 0.00 0.00 175.02 176.04 1n1d s GLY 92 N -2.89 2.72 0.00 -0.03 0.00 -1.26 -0.72 107.32 105.14 1n1d s GLY 92 Ca 0.08 0.91 0.05 0.00 0.00 0.00 0.00 44.72 45.76 1n1d s GLY 92 CO -0.08 1.32 0.64 2.09 0.00 0.00 0.00 173.10 177.08 1n1d n ASP 93 N -1.02 0.00 -0.05 1.64 3.85 0.20 -1.49 116.55 119.69 1n1d n ASP 93 Ca 0.10 -0.46 0.15 0.00 -0.71 0.00 0.00 54.79 53.87 1n1d n ASP 93 Cb 0.49 0.00 0.80 0.00 -1.35 0.00 0.00 41.12 41.07 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 -0.74 0.18 -0.42 -1.12 3.85 -1.26 -2.51 116.55 114.53 1n1d n ASP 94 Ca 0.03 -0.67 0.04 0.00 -0.71 0.00 0.00 54.79 53.48 1n1d n ASP 94 Cb 0.02 -0.11 0.08 0.00 -1.35 0.00 0.00 41.12 39.76 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 -1.01 0.22 -1.60 2.11 7.02 -0.56 -5.04 117.44 118.57 1n1d n TRP 95 Ca 0.19 -0.32 -0.46 0.00 -1.02 0.00 0.00 57.50 55.89 1n1d n TRP 95 Cb 0.20 -0.02 -0.03 0.00 -2.42 0.00 0.00 31.31 29.04 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 0.33 1.43 0.00 -0.99 2.13 -1.04 -1.84 120.64 120.66 1n1d n GLU 96 Ca 0.07 0.51 0.00 0.00 0.66 0.00 0.00 57.16 58.40 1n1d n GLU 96 Cb 0.32 -1.99 0.00 0.00 0.27 0.00 0.00 31.44 30.04 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 1.72 2.65 0.28 8.31 0.00 -1.26 -4.83 105.19 112.06 1n1d n GLY 97 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 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 0.24 0.00 0.00 1.61 6.56 -1.77 -3.14 116.57 120.07 1n1d h LYS 98 Ca 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.56 1n1d h LYS 98 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 31.59 1n1d h LYS 98 CO 0.00 0.06 -0.44 1.19 -2.06 0.00 0.00 179.45 178.20 1n1d n PHE 99 N -3.83 0.00 0.25 -1.35 3.01 -1.26 -4.78 117.46 109.49 1n1d n PHE 99 Ca -0.03 -0.95 0.11 0.00 1.01 0.00 0.00 57.45 57.59 1n1d n PHE 99 Cb 0.15 -0.17 0.53 0.00 -0.01 0.00 0.00 39.48 39.98 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 -0.77 0.58 0.13 4.37 9.92 -1.19 -2.25 116.55 127.34 1n1d n ASP 100 Ca 0.13 0.72 0.11 0.00 -0.53 0.00 0.00 54.79 55.22 1n1d n ASP 100 Cb 0.76 -0.81 0.50 0.00 -0.64 0.00 0.00 41.12 40.92 1n1d n ASP 100 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1n1d n PHE 101 N -2.22 0.74 1.98 1.24 1.16 -1.26 -2.16 117.46 116.94 1n1d n PHE 101 Ca -0.00 0.31 0.13 0.00 -1.87 0.00 0.00 57.45 56.03 1n1d n PHE 101 Cb 0.11 -1.00 0.78 0.00 -1.61 0.00 0.00 39.48 37.75 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 -2.20 0.06 0.19 5.98 4.77 -0.95 -3.94 117.00 120.91 1n1d n LEU 102 Ca 0.01 -0.02 0.14 0.00 -0.03 0.00 0.00 56.01 56.11 1n1d n LEU 102 Cb 0.17 -0.00 0.60 0.00 -2.33 0.00 0.00 43.42 41.87 1n1d n LEU 102 CO 0.17 0.01 0.91 0.11 -1.33 0.00 0.00 177.39 177.26 1n1d h LYS 103 N 0.09 0.00 0.00 3.23 1.57 -1.60 -1.49 116.57 118.37 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 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 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 -2.50 0.00 -0.05 0.86 5.75 -1.25 -4.12 116.55 115.23 1n1d n ASP 104 Ca 0.01 0.37 -0.10 0.00 -0.01 0.00 0.00 54.79 55.06 1n1d n ASP 104 Cb 0.21 -0.45 -0.04 0.00 -1.03 0.00 0.00 41.12 39.80 1n1d n ASP 104 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n1d n GLN 105 N -1.45 0.23 -3.02 0.11 6.02 -0.65 -5.13 117.38 113.48 1n1d n GLN 105 Ca 0.08 0.08 -0.09 0.00 -0.01 0.00 0.00 57.00 57.07 1n1d n GLN 105 Cb 0.31 -0.99 -0.01 0.00 1.02 0.00 0.00 30.24 30.56 1n1d n GLN 105 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n1d s GLU 107 N -2.44 4.56 -0.24 0.00 2.02 -0.93 -4.19 118.70 117.49 1n1d s GLU 107 Ca 0.17 1.74 0.01 0.00 0.02 0.00 0.00 54.97 56.91 1n1d s GLU 107 Cb -0.01 -3.08 0.04 0.00 0.10 0.00 0.00 34.13 31.19 1n1d s GLU 107 CO 0.12 0.16 -0.12 0.08 0.02 0.00 0.00 175.26 175.53 1n1d s VAL 108 N -1.25 2.32 0.06 2.63 1.01 -1.26 -1.23 120.40 122.68 1n1d s VAL 108 Ca 0.47 -1.33 0.09 0.00 0.00 0.00 0.00 61.98 61.21 1n1d s VAL 108 Cb -0.30 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1n1d s VAL 108 CO 0.38 0.15 -0.26 -0.69 0.00 0.00 0.00 175.10 174.69 1n1d s VAL 109 N 1.20 2.20 -0.18 2.92 1.01 -0.14 -5.01 120.40 122.41 1n1d s VAL 109 Ca -0.04 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.51 1n1d s VAL 109 Cb -0.18 -1.88 0.04 0.00 0.00 0.00 0.00 36.38 34.36 1n1d s VAL 109 CO -0.07 0.32 -0.10 -0.31 0.00 0.00 0.00 175.10 174.94 1n1d s TYR 110 N -0.86 2.20 0.04 5.22 1.51 -1.26 -2.44 117.35 121.77 1n1d s TYR 110 Ca 0.12 -1.38 -0.18 0.00 -1.01 0.00 0.00 57.07 54.63 1n1d s TYR 110 Cb -0.10 -1.56 -0.06 0.00 -0.11 0.00 0.00 41.96 40.13 1n1d s TYR 110 CO 0.03 -0.70 0.50 -0.51 -1.11 0.00 0.00 175.55 173.77 1n1d s LEU 111 N 1.47 4.50 0.01 -1.29 1.43 0.10 -4.66 118.68 120.24 1n1d s LEU 111 Ca 0.01 1.14 -0.34 0.00 -1.03 0.00 0.00 54.13 53.91 1n1d s LEU 111 Cb -0.15 -2.77 -0.13 0.00 0.03 0.00 0.00 46.19 43.17 1n1d s LEU 111 CO -0.09 0.29 1.76 -2.65 0.23 0.00 0.00 176.35 175.89 1n1d n PRO 112 N 1.80 2.16 -1.15 1.29 -0.02 -1.26 0.62 135.00 138.44 1n1d n PRO 112 Ca -0.12 0.79 -0.29 0.00 -2.02 0.00 0.00 63.50 61.86 1n1d n PRO 112 Cb 0.51 -2.60 0.16 0.00 -0.02 0.00 0.00 33.50 31.55 1n1d n PRO 112 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1n1d s ARG 113 N 2.84 0.85 -0.31 -0.52 1.70 -1.26 -4.79 118.95 117.47 1n1d s ARG 113 Ca 0.87 0.73 -0.24 0.00 -0.47 0.00 0.00 55.73 56.63 1n1d s ARG 113 Cb -0.69 -1.77 0.00 0.00 -0.57 0.00 0.00 34.95 31.92 1n1d s ARG 113 CO 0.46 -2.50 0.81 0.99 -1.08 0.00 0.00 175.30 173.99 1n1d s THR 114 N -2.91 4.77 0.14 4.99 2.01 -1.26 -5.02 115.64 118.36 1n1d s THR 114 Ca 0.64 1.24 -0.29 0.00 0.31 0.00 0.00 61.69 63.59 1n1d s THR 114 Cb -0.19 -4.17 -0.07 0.00 0.01 0.00 0.00 72.50 68.09 1n1d s THR 114 CO 0.58 -0.26 0.93 -1.61 -0.69 0.00 0.00 174.62 173.56 1n1d s GLU 115 N 3.01 4.71 0.00 4.92 0.41 -1.26 -3.93 118.70 126.57 1n1d s GLU 115 Ca 0.34 1.41 0.00 0.00 -0.41 0.00 0.00 54.97 56.31 1n1d s GLU 115 Cb -0.14 -3.35 0.00 0.00 -1.78 0.00 0.00 34.13 28.86 1n1d s GLU 115 CO 0.13 0.31 0.00 0.41 -0.49 0.00 0.00 175.26 175.62 1n1d n GLY 116 N 2.04 1.13 3.59 -1.39 0.00 -1.26 -5.09 105.19 104.21 1n1d n GLY 116 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.00 -0.61 1.10 -1.25 -5.11 121.20 113.33 1n1d s ILE 117 Ca 0.00 -0.20 0.00 0.00 -0.51 0.00 0.00 60.65 59.94 1n1d s ILE 117 Cb 0.00 -1.35 0.00 0.00 0.15 0.00 0.00 42.46 41.26 1n1d s ILE 117 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 174.94 172.59 1n1d n SER 118 N -0.31 0.00 -0.28 4.50 2.88 -1.26 -4.90 113.62 114.25 1n1d n SER 118 Ca -0.07 0.00 0.30 0.00 -1.33 0.00 0.00 58.87 57.76 1n1d n SER 118 Cb 0.61 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.74 1n1d n SER 118 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1n1d h THR 119 N 0.76 0.49 -0.27 2.46 2.02 -2.02 -0.21 112.91 116.15 1n1d h THR 119 Ca 0.00 -0.04 -0.17 0.00 0.77 0.00 0.00 66.41 66.97 1n1d h THR 119 Cb 0.00 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 66.77 1n1d h THR 119 CO 0.00 0.02 -0.51 0.74 0.37 0.00 0.00 175.52 176.14 1n1d h THR 120 N 0.12 1.29 0.00 3.16 2.02 -1.95 -2.80 112.91 114.75 1n1d h THR 120 Ca 0.53 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 66.00 1n1d h THR 120 Cb 1.87 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.90 1n1d h THR 120 CO -0.09 0.55 0.00 0.50 0.37 0.00 0.00 175.52 176.86 1n1d h LYS 121 N 0.61 0.00 0.09 6.66 3.64 -1.41 -1.88 116.57 124.29 1n1d h LYS 121 Ca 0.02 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.13 1n1d h LYS 121 Cb 1.09 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1n1d h LYS 121 CO 0.11 0.00 -1.40 0.82 -2.27 0.00 0.00 179.45 176.71 1n1d h ILE 122 N 0.00 0.99 0.00 2.00 1.08 -1.47 -3.37 117.51 116.73 1n1d h ILE 122 Ca 0.00 -2.35 -0.14 0.00 -0.39 0.00 0.00 64.86 61.98 1n1d h ILE 122 Cb 0.09 2.63 -0.05 0.00 -3.07 0.00 0.00 36.82 36.42 1n1d h ILE 122 CO 0.00 0.66 -0.10 0.29 -0.69 0.00 0.00 178.15 178.31 1n1d n LYS 123 N -3.98 1.46 0.09 2.37 5.02 -0.70 -3.75 118.16 118.66 1n1d n LYS 123 Ca -0.26 -0.74 0.00 0.00 -2.02 0.00 0.00 58.31 55.29 1n1d n LYS 123 Cb 0.87 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1n1d n LYS 123 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1n1d n GLU 124 N 2.66 0.00 0.00 1.97 1.02 -1.25 -4.90 120.64 120.13 1n1d n GLU 124 Ca 0.31 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.47 1n1d n GLU 124 Cb 0.66 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 32.18 1n1d n GLU 124 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1n1d n GLU 125 N -2.96 0.27 0.00 3.49 4.71 -1.25 -5.18 120.64 119.72 1n1d n GLU 125 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.16 57.21 1n1d n GLU 125 Cb 0.00 -1.20 0.05 0.00 -1.01 0.00 0.00 31.44 29.28 1n1d n GLU 125 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33