#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r0b s THR 2 N 0.00 3.58 -0.19 1.12 2.01 -1.26 -4.97 115.64 115.93 1r0b s THR 2 Ca 0.00 -1.27 -0.29 0.00 0.31 0.00 0.00 61.69 60.45 1r0b s THR 2 Cb 0.00 -2.72 -0.32 0.00 0.01 0.00 0.00 72.50 69.47 1r0b s THR 2 CO 0.00 0.05 1.67 1.57 -0.69 0.00 0.00 174.62 177.22 1r0b n HIS 3 N 0.45 0.45 -3.90 4.92 -0.00 -1.26 -4.78 115.22 111.10 1r0b n HIS 3 Ca -0.12 -0.82 -0.21 0.00 -0.00 0.00 0.00 57.72 56.57 1r0b n HIS 3 Cb 0.53 -0.98 -0.03 0.00 -0.00 0.00 0.00 29.99 29.51 1r0b n HIS 3 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1r0b s ASP 4 N 6.51 5.83 -0.23 0.26 1.01 -1.26 -4.99 116.67 123.79 1r0b s ASP 4 Ca 0.66 -0.17 -0.04 0.00 0.71 0.00 0.00 52.55 53.71 1r0b s ASP 4 Cb 0.15 -1.45 -0.05 0.00 1.01 0.00 0.00 42.92 42.58 1r0b s ASP 4 CO 0.29 -0.17 2.94 -3.20 0.21 0.00 0.00 175.17 175.24 1r0b n ASN 5 N -1.37 5.92 -4.04 0.27 2.85 -1.26 -4.70 115.26 112.93 1r0b n ASN 5 Ca -0.06 -2.86 -0.28 0.00 -0.11 0.00 0.00 54.58 51.27 1r0b n ASN 5 Cb 0.58 -1.27 -0.03 0.00 1.24 0.00 0.00 39.78 40.30 1r0b n ASN 5 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1r0b n LYS 6 N 1.47 -3.18 0.38 1.20 5.02 -1.26 -4.90 118.16 116.89 1r0b n LYS 6 Ca 0.41 0.38 -0.17 0.00 -2.02 0.00 0.00 58.31 56.90 1r0b n LYS 6 Cb 0.69 -4.63 -0.09 0.00 -0.02 0.00 0.00 35.03 30.98 1r0b n LYS 6 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1r0b h LEU 7 N -1.76 -0.82 -0.28 -0.35 3.38 -1.98 -3.44 115.31 110.05 1r0b h LEU 7 Ca -0.62 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1r0b h LEU 7 Cb 1.38 0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1r0b h LEU 7 CO 0.67 -0.52 0.00 0.00 0.09 0.00 0.00 178.44 178.67 1r0b n GLN 8 N -5.47 0.00 -3.15 1.13 1.13 -1.26 -5.08 117.38 104.68 1r0b n GLN 8 Ca -0.14 -0.14 0.04 0.00 -1.94 0.00 0.00 57.00 54.82 1r0b n GLN 8 Cb 0.40 -0.28 -0.00 0.00 0.11 0.00 0.00 30.24 30.46 1r0b n GLN 8 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1r0b s VAL 9 N 0.00 -0.96 0.85 5.09 -7.23 -1.26 -4.93 120.40 111.96 1r0b s VAL 9 Ca 0.00 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.06 1r0b s VAL 9 Cb 0.00 -0.98 0.10 0.00 0.56 0.00 0.00 36.38 36.07 1r0b s VAL 9 CO 0.00 0.00 1.10 -0.70 -0.31 0.00 0.00 175.10 175.19 1r0b s GLU 10 N 2.85 1.60 0.46 4.82 2.12 -1.26 -4.90 118.70 124.38 1r0b s GLU 10 Ca 0.15 1.09 -0.24 0.00 0.36 0.00 0.00 54.97 56.33 1r0b s GLU 10 Cb -0.12 -1.83 -0.07 0.00 0.26 0.00 0.00 34.13 32.37 1r0b s GLU 10 CO -0.23 -2.08 1.23 0.00 -0.54 0.00 0.00 175.26 173.63 1r0b s ALA 11 N -2.86 3.02 0.23 6.30 0.00 -1.26 -4.91 121.76 122.29 1r0b s ALA 11 Ca 0.63 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.66 1r0b s ALA 11 Cb -0.19 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1r0b s ALA 11 CO 0.57 -0.80 0.00 -0.89 0.00 0.00 0.00 175.76 174.64 1r0b n ILE 12 N -0.39 0.00 -3.63 0.00 5.41 -1.26 -4.95 119.36 114.54 1r0b n ILE 12 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.84 1r0b n ILE 12 Cb 0.46 -0.64 -0.06 0.00 -0.71 0.00 0.00 39.64 38.70 1r0b n ILE 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1r0b s LYS 13 N 2.67 0.05 -1.35 0.38 -2.85 -1.26 -3.94 119.74 113.45 1r0b s LYS 13 Ca 0.00 0.09 -0.01 0.00 -1.00 0.00 0.00 55.97 55.06 1r0b s LYS 13 Cb 0.00 0.01 0.01 0.00 -2.06 0.00 0.00 37.83 35.79 1r0b s LYS 13 CO 0.00 -0.01 0.64 0.54 0.10 0.00 0.00 175.35 176.62 1r0b n ARG 14 N 3.17 -4.51 -4.11 1.78 5.12 0.14 -4.49 116.66 113.75 1r0b n ARG 14 Ca -0.17 0.56 -0.15 0.00 -1.93 0.00 0.00 57.85 56.16 1r0b n ARG 14 Cb 0.56 -5.03 -0.04 0.00 -1.16 0.00 0.00 32.46 26.79 1r0b n ARG 14 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1r0b s GLY 15 N -4.31 1.62 0.45 -0.13 0.00 -0.17 -1.73 107.32 103.06 1r0b s GLY 15 Ca 0.04 -1.60 0.08 0.00 0.00 0.00 0.00 44.72 43.24 1r0b s GLY 15 CO 0.83 -1.06 0.56 -1.59 0.00 0.00 0.00 173.10 171.85 1r0b s THR 16 N -3.04 2.77 -0.25 0.90 2.01 -0.02 -2.56 115.64 115.47 1r0b s THR 16 Ca 0.32 -1.08 -0.20 0.00 0.31 0.00 0.00 61.69 61.04 1r0b s THR 16 Cb -0.00 -2.85 0.07 0.00 0.01 0.00 0.00 72.50 69.72 1r0b s THR 16 CO 0.22 0.00 0.64 -0.69 -0.69 0.00 0.00 174.62 174.10 1r0b s VAL 17 N -2.43 -0.00 -0.34 3.82 1.01 -0.94 -2.47 120.40 119.05 1r0b s VAL 17 Ca 0.54 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1r0b s VAL 17 Cb -0.08 -0.90 0.09 0.00 0.00 0.00 0.00 36.38 35.49 1r0b s VAL 17 CO 0.33 0.00 0.04 -0.63 0.00 0.00 0.00 175.10 174.84 1r0b s ILE 18 N 0.68 2.40 0.47 2.22 1.01 0.16 -2.40 121.20 125.74 1r0b s ILE 18 Ca -0.03 -2.19 0.06 0.00 0.00 0.00 0.00 60.65 58.49 1r0b s ILE 18 Cb -0.05 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.74 1r0b s ILE 18 CO -0.04 -0.52 0.65 -0.62 0.00 0.00 0.00 174.94 174.41 1r0b s ASP 19 N 1.05 5.50 -1.32 3.58 -1.08 -0.58 -1.54 116.67 122.28 1r0b s ASP 19 Ca 0.07 -0.28 -0.12 0.00 -0.52 0.00 0.00 52.55 51.70 1r0b s ASP 19 Cb -0.20 -0.71 0.01 0.00 -1.46 0.00 0.00 42.92 40.56 1r0b s ASP 19 CO -0.07 -0.92 0.51 1.41 0.52 0.00 0.00 175.17 176.62 1r0b n HIS 20 N -2.04 -1.62 -3.15 -5.34 8.25 -1.24 -2.67 115.22 107.40 1r0b n HIS 20 Ca 0.08 0.53 -0.39 0.00 -0.26 0.00 0.00 57.72 57.68 1r0b n HIS 20 Cb 0.59 -3.37 -0.06 0.00 1.12 0.00 0.00 29.99 28.28 1r0b n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1r0b s ILE 21 N -3.81 4.84 0.54 1.59 1.01 -0.01 -3.84 121.20 121.52 1r0b s ILE 21 Ca 0.22 1.35 -0.22 0.00 0.00 0.00 0.00 60.65 62.00 1r0b s ILE 21 Cb -0.09 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 1r0b s ILE 21 CO 0.91 0.42 1.29 -2.65 0.00 0.00 0.00 174.94 174.91 1r0b n PRO 22 N 2.66 1.60 -1.70 2.79 -0.02 -1.26 0.08 135.00 139.15 1r0b n PRO 22 Ca -0.06 0.59 -0.61 0.00 -2.02 0.00 0.00 63.50 61.40 1r0b n PRO 22 Cb 0.51 -2.49 -0.08 0.00 -0.02 0.00 0.00 33.50 31.41 1r0b n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r0b n ALA 23 N -1.04 -0.85 -1.00 3.55 0.00 -1.26 -1.24 120.51 118.66 1r0b n ALA 23 Ca 0.11 0.45 -0.00 0.00 0.00 0.00 0.00 53.44 53.99 1r0b n ALA 23 Cb 0.44 -2.08 -0.00 0.00 0.00 0.00 0.00 19.45 17.81 1r0b n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1r0b n GLN 24 N 4.45 -0.34 0.00 0.00 1.13 -1.26 -4.87 117.38 116.49 1r0b n GLN 24 Ca 0.27 0.09 0.06 0.00 -1.94 0.00 0.00 57.00 55.48 1r0b n GLN 24 Cb 0.07 -3.34 -0.12 0.00 0.11 0.00 0.00 30.24 26.95 1r0b n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1r0b n ILE 25 N -2.83 0.50 -0.24 5.09 2.08 -0.37 -4.32 119.36 119.27 1r0b n ILE 25 Ca -0.00 -0.59 0.04 0.00 0.56 0.00 0.00 62.75 62.76 1r0b n ILE 25 Cb 0.08 -0.24 0.16 0.00 -0.75 0.00 0.00 39.64 38.90 1r0b n ILE 25 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1r0b h GLY 26 N 3.96 1.02 1.07 7.39 0.00 -1.90 0.16 103.07 114.77 1r0b h GLY 26 Ca -0.11 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1r0b h GLY 26 CO 0.01 -0.11 0.08 -2.75 0.00 0.00 0.00 176.54 173.77 1r0b h PHE 27 N 0.37 1.16 0.42 5.60 3.57 -1.95 0.24 116.94 126.35 1r0b h PHE 27 Ca 0.38 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1r0b h PHE 27 Cb 0.58 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1r0b h PHE 27 CO -0.20 0.99 -0.29 0.87 -2.23 0.00 0.00 178.31 177.45 1r0b h LYS 28 N 0.99 -0.67 -0.14 1.11 1.79 -1.08 0.15 116.57 118.72 1r0b h LYS 28 Ca 0.19 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1r0b h LYS 28 Cb 0.47 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 1r0b h LYS 28 CO 0.02 -0.45 0.09 -0.07 -1.08 0.00 0.00 179.45 177.96 1r0b h LEU 29 N -0.70 0.16 -1.99 2.94 3.38 -0.75 1.01 115.31 119.36 1r0b h LEU 29 Ca -0.04 -0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.06 1r0b h LEU 29 Cb 0.59 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1r0b h LEU 29 CO 0.02 0.13 0.47 0.25 0.09 0.00 0.00 178.44 179.40 1r0b h LEU 30 N 0.17 0.00 0.00 1.67 5.85 -0.13 -2.63 115.31 120.24 1r0b h LEU 30 Ca 0.05 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.52 1r0b h LEU 30 Cb -0.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1r0b h LEU 30 CO -0.01 0.00 -1.76 -0.24 -0.34 0.00 0.00 178.44 176.09 1r0b n SER 31 N -4.02 1.44 0.17 1.25 2.88 0.48 -2.84 113.62 112.99 1r0b n SER 31 Ca 0.10 0.25 0.18 0.00 -1.33 0.00 0.00 58.87 58.07 1r0b n SER 31 Cb 0.68 -0.58 0.73 0.00 -0.75 0.00 0.00 64.21 64.29 1r0b n SER 31 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1r0b h LEU 32 N -0.70 0.00 -3.07 2.46 5.85 0.11 0.24 115.31 120.20 1r0b h LEU 32 Ca -0.38 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1r0b h LEU 32 Cb 1.26 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1r0b h LEU 32 CO -0.23 0.00 -0.04 0.49 -0.34 0.00 0.00 178.44 178.32 1r0b n PHE 33 N -3.35 0.26 -4.32 1.25 3.72 -1.00 -4.93 117.46 109.09 1r0b n PHE 33 Ca 0.04 -1.03 -0.32 0.00 -0.05 0.00 0.00 57.45 56.10 1r0b n PHE 33 Cb 0.59 -0.21 -0.10 0.00 -0.94 0.00 0.00 39.48 38.82 1r0b n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1r0b n LYS 34 N -1.19 -1.03 0.24 -1.08 5.02 0.86 -4.83 118.16 116.15 1r0b n LYS 34 Ca 0.18 0.11 0.12 0.00 -2.02 0.00 0.00 58.31 56.70 1r0b n LYS 34 Cb 0.72 -3.71 0.48 0.00 -0.02 0.00 0.00 35.03 32.50 1r0b n LYS 34 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1r0b h LEU 35 N -1.72 0.00 -3.89 -0.35 3.38 -1.76 -3.29 115.31 107.68 1r0b h LEU 35 Ca -0.65 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.74 1r0b h LEU 35 Cb 1.40 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.88 1r0b h LEU 35 CO 0.72 0.14 0.75 0.35 0.09 0.00 0.00 178.44 180.49 1r0b n THR 36 N -3.25 3.36 0.31 0.22 -2.24 -1.25 -4.11 114.28 107.31 1r0b n THR 36 Ca 0.01 -2.44 0.07 0.00 -2.27 0.00 0.00 64.05 59.42 1r0b n THR 36 Cb 0.42 -0.98 -0.10 0.00 -2.10 0.00 0.00 70.33 67.57 1r0b n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1r0b n GLU 37 N -0.81 1.35 -0.70 -0.78 1.02 -1.24 -4.97 120.64 114.51 1r0b n GLU 37 Ca 0.57 -0.07 -0.30 0.00 -0.02 0.00 0.00 57.16 57.34 1r0b n GLU 37 Cb 0.93 -1.26 0.20 0.00 -0.02 0.00 0.00 31.44 31.29 1r0b n GLU 37 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1r0b s THR 38 N -2.68 2.14 -2.79 2.62 2.01 -1.26 -4.93 115.64 110.76 1r0b s THR 38 Ca -0.00 0.05 0.22 0.00 0.31 0.00 0.00 61.69 62.27 1r0b s THR 38 Cb 0.10 -2.14 0.18 0.00 0.01 0.00 0.00 72.50 70.64 1r0b s THR 38 CO 0.59 -0.06 1.21 0.47 -0.69 0.00 0.00 174.62 176.14 1r0b n ASP 39 N -4.50 2.85 -4.88 3.53 9.92 -1.26 -4.96 116.55 117.25 1r0b n ASP 39 Ca 0.07 -1.93 -0.33 0.00 -0.53 0.00 0.00 54.79 52.08 1r0b n ASP 39 Cb 0.53 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.97 1r0b n ASP 39 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1r0b s GLN 40 N -1.87 3.72 0.13 -1.24 -0.21 -1.26 -5.03 119.66 113.90 1r0b s GLN 40 Ca 0.26 0.11 -0.34 0.00 0.02 0.00 0.00 55.36 55.41 1r0b s GLN 40 Cb 0.19 -2.86 -0.17 0.00 1.00 0.00 0.00 33.01 31.17 1r0b s GLN 40 CO 0.28 0.46 1.01 -2.13 -2.12 0.00 0.00 175.29 172.80 1r0b n ARG 41 N 0.34 0.59 -4.24 2.91 0.63 -1.26 -4.71 116.66 110.92 1r0b n ARG 41 Ca -0.04 0.21 -0.19 0.00 -0.92 0.00 0.00 57.85 56.91 1r0b n ARG 41 Cb 0.52 -1.61 -0.16 0.00 0.45 0.00 0.00 32.46 31.66 1r0b n ARG 41 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1r0b s ILE 42 N -0.28 0.58 -0.42 5.15 1.01 -1.26 -1.26 121.20 124.72 1r0b s ILE 42 Ca 0.77 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 61.23 1r0b s ILE 42 Cb -0.99 -0.55 0.12 0.00 0.01 0.00 0.00 42.46 41.05 1r0b s ILE 42 CO 0.54 0.20 0.16 -0.89 0.00 0.00 0.00 174.94 174.95 1r0b s THR 43 N 0.40 2.15 0.20 2.92 2.01 0.19 -4.99 115.64 118.51 1r0b s THR 43 Ca -0.05 -2.65 -0.23 0.00 0.31 0.00 0.00 61.69 59.07 1r0b s THR 43 Cb -0.09 -2.54 -0.08 0.00 0.01 0.00 0.00 72.50 69.79 1r0b s THR 43 CO 0.00 -0.72 0.77 -0.63 -0.69 0.00 0.00 174.62 173.35 1r0b s ILE 44 N 0.45 4.42 -0.37 1.82 1.09 -1.26 -2.69 121.20 124.67 1r0b s ILE 44 Ca 0.14 1.57 0.00 0.00 -1.10 0.00 0.00 60.65 61.26 1r0b s ILE 44 Cb -0.22 -4.03 0.12 0.00 -1.06 0.00 0.00 42.46 37.28 1r0b s ILE 44 CO -0.06 0.38 0.19 -0.83 -0.10 0.00 0.00 174.94 174.52 1r0b s GLY 45 N -1.36 1.22 0.06 6.18 0.00 0.17 -4.99 107.32 108.60 1r0b s GLY 45 Ca 0.39 -2.06 -0.18 0.00 0.00 0.00 0.00 44.72 42.88 1r0b s GLY 45 CO 0.24 1.74 0.53 1.08 0.00 0.00 0.00 173.10 176.69 1r0b s LEU 46 N 1.00 4.50 -1.17 0.66 1.43 -1.26 0.03 118.68 123.86 1r0b s LEU 46 Ca 0.15 1.17 -0.14 0.00 -1.03 0.00 0.00 54.13 54.29 1r0b s LEU 46 Cb -0.22 -2.86 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 1r0b s LEU 46 CO -0.09 0.27 0.77 0.59 0.23 0.00 0.00 176.35 178.12 1r0b n ASN 47 N 1.64 -4.52 -4.84 2.29 3.02 -1.17 -4.99 115.26 106.69 1r0b n ASN 47 Ca -0.11 -0.93 -0.38 0.00 -0.03 0.00 0.00 54.58 53.13 1r0b n ASN 47 Cb 0.51 -3.77 -0.06 0.00 -0.61 0.00 0.00 39.78 35.85 1r0b n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r0b s LEU 48 N -6.36 4.47 0.02 3.41 1.43 0.41 -4.81 118.68 117.23 1r0b s LEU 48 Ca 0.36 0.93 -0.30 0.00 -1.03 0.00 0.00 54.13 54.09 1r0b s LEU 48 Cb -0.11 -2.56 -0.08 0.00 0.03 0.00 0.00 46.19 43.47 1r0b s LEU 48 CO 0.84 0.32 1.88 -2.84 0.23 0.00 0.00 176.35 176.78 1r0b s PRO 49 N -1.03 4.15 -0.20 1.29 0.02 -1.26 0.20 135.00 138.17 1r0b s PRO 49 Ca 0.23 2.50 -0.13 0.00 0.02 0.00 0.00 61.00 63.62 1r0b s PRO 49 Cb -0.16 -4.09 -0.05 0.00 0.02 0.00 0.00 34.50 30.22 1r0b s PRO 49 CO 0.13 -0.92 0.27 0.45 -0.33 0.00 0.00 177.00 176.60 1r0b s SER 50 N 4.07 6.33 0.53 2.53 0.15 -1.25 -4.74 113.70 121.32 1r0b s SER 50 Ca 0.84 0.38 0.23 0.00 0.70 0.00 0.00 55.95 58.10 1r0b s SER 50 Cb -0.40 -2.17 1.44 0.00 -1.71 0.00 0.00 66.02 63.18 1r0b s SER 50 CO 0.38 0.05 2.13 1.23 1.20 0.00 0.00 173.24 178.23 1r0b h GLY 51 N 7.18 0.00 0.00 9.45 0.00 -2.01 -3.29 103.07 114.40 1r0b h GLY 51 Ca -0.39 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.69 1r0b h GLY 51 CO 0.72 0.00 -1.75 1.18 0.00 0.00 0.00 176.54 176.69 1r0b n GLU 52 N -4.03 0.43 -0.53 4.80 1.02 -1.26 -5.05 120.64 116.02 1r0b n GLU 52 Ca -0.03 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1r0b n GLU 52 Cb 0.16 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1r0b n GLU 52 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1r0b n MET 53 N -4.02 0.94 -4.10 3.49 0.00 -1.24 -5.09 117.12 107.10 1r0b n MET 53 Ca -0.32 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.03 1r0b n MET 53 Cb 0.67 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.76 1r0b n MET 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1r0b s GLY 54 N -2.12 1.61 -0.82 -5.12 0.00 -1.26 -3.88 107.32 95.74 1r0b s GLY 54 Ca 0.00 -1.08 -0.08 0.00 0.00 0.00 0.00 44.72 43.56 1r0b s GLY 54 CO 0.00 0.28 0.55 0.54 0.00 0.00 0.00 173.10 174.47 1r0b n ARG 55 N 4.46 -1.11 -1.18 2.90 1.74 -1.22 -4.56 116.66 117.69 1r0b n ARG 55 Ca -0.18 0.49 -0.31 0.00 -0.77 0.00 0.00 57.85 57.08 1r0b n ARG 55 Cb 0.51 -1.98 0.10 0.00 -1.02 0.00 0.00 32.46 30.08 1r0b n ARG 55 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1r0b s LYS 56 N -5.28 2.04 0.05 5.56 -2.85 0.52 -4.12 119.74 115.66 1r0b s LYS 56 Ca 0.11 1.21 0.04 0.00 -1.00 0.00 0.00 55.97 56.33 1r0b s LYS 56 Cb -0.06 -1.87 -0.04 0.00 -2.06 0.00 0.00 37.83 33.80 1r0b s LYS 56 CO 0.81 -1.81 -0.06 -0.51 0.10 0.00 0.00 175.35 173.89 1r0b s ASP 57 N -3.30 4.69 -0.02 0.03 1.11 0.11 0.15 116.67 119.44 1r0b s ASP 57 Ca 0.62 -0.20 -0.08 0.00 0.18 0.00 0.00 52.55 53.07 1r0b s ASP 57 Cb -0.18 -1.06 0.01 0.00 1.07 0.00 0.00 42.92 42.76 1r0b s ASP 57 CO 0.56 0.23 0.17 -0.22 1.18 0.00 0.00 175.17 177.10 1r0b s LEU 58 N -1.81 1.40 0.02 1.23 2.96 0.10 -0.83 118.68 121.76 1r0b s LEU 58 Ca 0.20 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 1r0b s LEU 58 Cb -0.11 0.71 -0.02 0.00 0.50 0.00 0.00 46.19 47.27 1r0b s LEU 58 CO 0.12 -0.27 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.21 1r0b s ILE 59 N -0.85 0.22 -0.17 6.68 1.01 -0.59 0.42 121.20 127.92 1r0b s ILE 59 Ca -0.09 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 1r0b s ILE 59 Cb -0.05 -0.30 0.08 0.00 0.01 0.00 0.00 42.46 42.20 1r0b s ILE 59 CO 0.01 -0.31 0.32 -1.59 0.00 0.00 0.00 174.94 173.37 1r0b s LYS 60 N -1.07 0.23 -0.15 2.79 -2.85 -1.09 0.39 119.74 117.98 1r0b s LYS 60 Ca -0.10 0.75 -0.05 0.00 -1.00 0.00 0.00 55.97 55.57 1r0b s LYS 60 Cb -0.07 -0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.55 1r0b s LYS 60 CO -0.00 -0.36 0.02 0.42 0.10 0.00 0.00 175.35 175.53 1r0b s ILE 61 N 2.48 4.48 -0.13 3.79 1.01 -1.03 -0.64 121.20 131.15 1r0b s ILE 61 Ca 0.03 -0.16 -0.17 0.00 0.00 0.00 0.00 60.65 60.35 1r0b s ILE 61 Cb -0.13 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1r0b s ILE 61 CO -0.11 0.51 0.42 -1.61 0.00 0.00 0.00 174.94 174.15 1r0b s GLU 62 N -0.03 4.32 -1.41 2.79 2.02 -0.39 -0.84 118.70 125.17 1r0b s GLU 62 Ca 0.04 0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.37 1r0b s GLU 62 Cb -0.13 -3.43 0.00 0.00 0.10 0.00 0.00 34.13 30.67 1r0b s GLU 62 CO 0.02 0.18 0.00 0.09 0.02 0.00 0.00 175.26 175.57 1r0b n ASN 63 N 3.65 -4.60 -4.26 -0.19 3.02 -0.70 -4.51 115.26 107.66 1r0b n ASN 63 Ca -0.09 0.33 -0.27 0.00 -0.03 0.00 0.00 54.58 54.53 1r0b n ASN 63 Cb 0.52 -3.27 -0.15 0.00 -0.61 0.00 0.00 39.78 36.27 1r0b n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1r0b s THR 64 N -2.49 1.74 0.08 3.41 2.01 -1.26 -4.97 115.64 114.16 1r0b s THR 64 Ca 0.00 -1.15 0.06 0.00 0.31 0.00 0.00 61.69 60.91 1r0b s THR 64 Cb 0.00 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 1r0b s THR 64 CO 0.00 0.30 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.71 1r0b s PHE 65 N -0.72 1.41 -0.19 4.92 0.40 -1.26 -2.10 117.98 120.45 1r0b s PHE 65 Ca 0.08 -0.44 -0.01 0.00 -0.60 0.00 0.00 56.93 55.97 1r0b s PHE 65 Cb -0.09 -0.79 0.00 0.00 0.51 0.00 0.00 43.02 42.65 1r0b s PHE 65 CO 0.01 0.10 -0.13 -0.51 0.70 0.00 0.00 175.22 175.40 1r0b s LEU 66 N -1.74 2.51 0.47 -0.37 1.43 -1.26 -5.09 118.68 114.63 1r0b s LEU 66 Ca 0.01 -0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 52.40 1r0b s LEU 66 Cb -0.10 -1.60 -0.08 0.00 0.03 0.00 0.00 46.19 44.44 1r0b s LEU 66 CO 0.03 0.02 1.05 -0.44 0.23 0.00 0.00 176.35 177.24 1r0b s SER 67 N 1.19 6.38 0.15 2.29 0.01 -1.26 -4.71 113.70 117.76 1r0b s SER 67 Ca 0.02 1.98 -0.14 0.00 1.31 0.00 0.00 55.95 59.12 1r0b s SER 67 Cb -0.14 -2.57 0.13 0.00 0.21 0.00 0.00 66.02 63.65 1r0b s SER 67 CO -0.05 -0.75 1.10 -0.62 0.41 0.00 0.00 173.24 173.33 1r0b n GLU 68 N -0.78 -0.20 0.00 12.44 1.02 -1.26 0.21 120.64 132.07 1r0b n GLU 68 Ca 0.08 1.09 0.00 0.00 -0.02 0.00 0.00 57.16 58.32 1r0b n GLU 68 Cb 0.52 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 1r0b n GLU 68 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1r0b n ASP 69 N -5.02 0.84 -0.04 1.62 5.75 -1.26 -1.65 116.55 116.79 1r0b n ASP 69 Ca 0.06 -1.89 -0.04 0.00 -0.01 0.00 0.00 54.79 52.91 1r0b n ASP 69 Cb 0.27 -0.42 -0.05 0.00 -1.03 0.00 0.00 41.12 39.89 1r0b n ASP 69 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1r0b n GLN 70 N -0.03 1.94 0.08 0.11 7.27 0.55 -4.12 117.38 123.18 1r0b n GLN 70 Ca 0.00 0.02 -0.10 0.00 0.07 0.00 0.00 57.00 56.99 1r0b n GLN 70 Cb 0.21 -1.16 -0.08 0.00 2.41 0.00 0.00 30.24 31.62 1r0b n GLN 70 CO 0.00 0.00 0.00 -0.39 0.07 0.00 0.00 177.06 176.74 1r0b h VAL 71 N 0.00 1.58 -0.24 1.69 -1.51 -1.13 -2.87 116.25 113.77 1r0b h VAL 71 Ca -0.18 -3.04 0.07 0.00 -1.23 0.00 0.00 66.70 62.33 1r0b h VAL 71 Cb 1.35 2.73 -0.01 0.00 -2.13 0.00 0.00 31.29 33.24 1r0b h VAL 71 CO -0.00 0.88 0.20 0.44 -1.23 0.00 0.00 177.57 177.85 1r0b h ASP 72 N 0.05 0.00 0.40 4.19 3.45 -1.52 0.36 116.42 123.35 1r0b h ASP 72 Ca -0.05 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.37 1r0b h ASP 72 Cb 1.72 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.48 1r0b h ASP 72 CO 0.15 0.00 -0.18 1.56 -1.57 0.00 0.00 179.24 179.20 1r0b h GLN 73 N 0.00 0.00 0.00 3.56 1.08 -1.66 -2.59 115.11 115.50 1r0b h GLN 73 Ca 0.12 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.23 1r0b h GLN 73 Cb 0.50 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1r0b h GLN 73 CO -0.00 0.18 -0.42 -0.07 -0.95 0.00 0.00 178.83 177.57 1r0b h LEU 74 N 0.00 0.00 -1.57 1.46 3.38 -0.41 -3.25 115.31 114.91 1r0b h LEU 74 Ca -0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.11 1r0b h LEU 74 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1r0b h LEU 74 CO 0.02 0.42 0.69 0.00 0.09 0.00 0.00 178.44 179.66 1r0b h ALA 75 N 1.58 2.24 0.00 1.53 0.00 -1.51 0.74 119.26 123.84 1r0b h ALA 75 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1r0b h ALA 75 Cb 0.86 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1r0b h ALA 75 CO 0.05 -0.95 -0.02 1.28 0.00 0.00 0.00 179.25 179.61 1r0b n LEU 76 N -3.36 0.56 0.00 0.00 4.77 -1.23 -3.27 117.00 114.47 1r0b n LEU 76 Ca 0.10 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1r0b n LEU 76 Cb 0.88 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1r0b n LEU 76 CO 0.22 -0.12 -0.28 -1.22 -1.33 0.00 0.00 177.39 174.66 1r0b n TYR 77 N -2.02 0.00 -2.90 -1.77 4.02 0.12 -4.85 117.16 109.75 1r0b n TYR 77 Ca 0.06 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.72 1r0b n TYR 77 Cb 0.40 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.70 1r0b n TYR 77 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1r0b n ALA 78 N -1.10 3.84 0.13 -0.72 0.00 0.22 -4.66 120.51 118.22 1r0b n ALA 78 Ca 0.00 -4.10 0.00 0.00 0.00 0.00 0.00 53.44 49.34 1r0b n ALA 78 Cb 0.14 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1r0b n ALA 78 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1r0b n PRO 79 N -0.12 0.17 -0.29 0.00 -0.02 -1.20 -1.29 135.00 132.25 1r0b n PRO 79 Ca 0.28 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1r0b n PRO 79 Cb 0.56 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 1r0b n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r0b n GLN 80 N 1.08 0.00 -3.43 -0.52 10.64 -1.26 -5.07 117.38 118.81 1r0b n GLN 80 Ca 0.00 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.79 1r0b n GLN 80 Cb 0.08 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.41 1r0b n GLN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1r0b s ALA 81 N 0.00 3.66 0.10 2.61 0.00 -0.41 -4.85 121.76 122.87 1r0b s ALA 81 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 51.96 51.76 1r0b s ALA 81 Cb 0.00 -2.46 -0.05 0.00 0.00 0.00 0.00 23.12 20.61 1r0b s ALA 81 CO 0.00 0.46 0.35 0.99 0.00 0.00 0.00 175.76 177.56 1r0b s THR 82 N -1.13 5.20 -0.32 0.00 2.01 -1.09 -4.02 115.64 116.29 1r0b s THR 82 Ca 0.27 0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.35 1r0b s THR 82 Cb -0.17 -3.62 0.11 0.00 0.01 0.00 0.00 72.50 68.83 1r0b s THR 82 CO 0.16 0.15 0.13 -0.69 -0.69 0.00 0.00 174.62 173.68 1r0b s VAL 83 N -1.53 0.55 0.52 3.82 1.01 0.21 -1.53 120.40 123.44 1r0b s VAL 83 Ca 0.36 -1.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1r0b s VAL 83 Cb -0.13 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.84 1r0b s VAL 83 CO 0.22 -0.73 0.76 0.20 0.00 0.00 0.00 175.10 175.55 1r0b s ASN 84 N 1.64 5.57 -0.66 3.32 0.01 -1.01 -2.89 114.94 120.92 1r0b s ASN 84 Ca 0.11 0.28 0.05 0.00 -0.71 0.00 0.00 52.86 52.60 1r0b s ASN 84 Cb -0.18 -1.35 0.21 0.00 0.41 0.00 0.00 41.25 40.34 1r0b s ASN 84 CO -0.25 -0.95 0.60 0.54 -1.51 0.00 0.00 177.10 175.53 1r0b n ARG 85 N -2.29 2.07 -1.65 -0.60 1.74 -1.19 -2.21 116.66 112.52 1r0b n ARG 85 Ca 0.04 -4.51 -0.43 0.00 -0.77 0.00 0.00 57.85 52.19 1r0b n ARG 85 Cb 0.58 -2.23 -0.03 0.00 -1.02 0.00 0.00 32.46 29.76 1r0b n ARG 85 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1r0b n ILE 86 N 1.48 0.70 -3.77 0.55 5.41 -1.06 -2.17 119.36 120.50 1r0b n ILE 86 Ca 0.25 -0.18 -0.13 0.00 1.00 0.00 0.00 62.75 63.69 1r0b n ILE 86 Cb 0.38 -2.33 -0.13 0.00 -0.71 0.00 0.00 39.64 36.86 1r0b n ILE 86 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1r0b s ASP 87 N 5.00 -0.21 -1.39 4.38 1.11 0.65 -0.68 116.67 125.52 1r0b s ASP 87 Ca 0.91 0.43 -0.02 0.00 0.18 0.00 0.00 52.55 54.05 1r0b s ASP 87 Cb -0.44 0.38 0.02 0.00 1.07 0.00 0.00 42.92 43.95 1r0b s ASP 87 CO 0.42 -0.11 0.61 -3.20 1.18 0.00 0.00 175.17 174.07 1r0b n ASN 88 N 3.51 -1.22 -2.23 0.27 2.85 -1.26 0.12 115.26 117.30 1r0b n ASN 88 Ca -0.18 -0.91 -0.15 0.00 -0.11 0.00 0.00 54.58 53.23 1r0b n ASN 88 Cb 0.56 -3.55 -0.02 0.00 1.24 0.00 0.00 39.78 38.01 1r0b n ASN 88 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1r0b n TYR 89 N -4.37 -1.07 -3.84 1.20 4.02 -1.25 -4.96 117.16 106.88 1r0b n TYR 89 Ca -0.26 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.51 1r0b n TYR 89 Cb 0.66 -3.12 -0.14 0.00 -0.02 0.00 0.00 39.34 36.72 1r0b n TYR 89 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1r0b s GLU 90 N -4.69 0.01 -1.21 -0.72 0.41 0.12 -4.61 118.70 108.01 1r0b s GLU 90 Ca 0.00 0.08 -0.20 0.00 -0.41 0.00 0.00 54.97 54.43 1r0b s GLU 90 Cb 0.00 -0.05 0.01 0.00 -1.78 0.00 0.00 34.13 32.31 1r0b s GLU 90 CO 0.00 -0.05 1.78 0.08 -0.49 0.00 0.00 175.26 176.58 1r0b s VAL 91 N 0.29 3.88 0.00 2.63 1.01 -1.26 0.24 120.40 127.18 1r0b s VAL 91 Ca -0.02 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.57 1r0b s VAL 91 Cb -0.03 -4.92 0.00 0.00 0.00 0.00 0.00 36.38 31.42 1r0b s VAL 91 CO -0.01 -1.64 0.00 0.52 0.00 0.00 0.00 175.10 173.97 1r0b n VAL 92 N 6.97 0.00 -0.47 2.92 0.31 -0.92 -4.84 118.33 122.29 1r0b n VAL 92 Ca 0.45 0.05 -0.29 0.00 -0.01 0.00 0.00 64.34 64.55 1r0b n VAL 92 Cb 0.47 -0.95 0.24 0.00 -0.91 0.00 0.00 33.84 32.69 1r0b n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1r0b n GLY 93 N 0.41 -2.65 3.54 2.92 0.00 -1.26 -4.81 105.19 103.34 1r0b n GLY 93 Ca 0.00 -1.17 -0.16 0.00 0.00 0.00 0.00 46.02 44.68 1r0b n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r0b s LYS 94 N -4.19 0.95 -0.22 1.61 1.02 -1.26 -3.19 119.74 114.45 1r0b s LYS 94 Ca 0.62 0.34 -0.32 0.00 0.02 0.00 0.00 55.97 56.63 1r0b s LYS 94 Cb -0.18 0.45 0.16 0.00 -0.52 0.00 0.00 37.83 37.74 1r0b s LYS 94 CO 0.61 -0.27 1.23 -1.54 -0.92 0.00 0.00 175.35 174.46 1r0b s SER 95 N -0.95 -0.14 -0.03 2.83 1.04 -1.14 -5.01 113.70 110.30 1r0b s SER 95 Ca -0.08 0.08 0.06 0.00 0.48 0.00 0.00 55.95 56.50 1r0b s SER 95 Cb -0.01 0.13 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 1r0b s SER 95 CO 0.07 -0.18 -0.22 -0.13 0.98 0.00 0.00 173.24 173.77 1r0b s ARG 96 N -1.70 1.88 0.73 4.02 0.52 -1.26 -0.62 118.95 122.53 1r0b s ARG 96 Ca 0.07 -0.77 -0.16 0.00 -0.52 0.00 0.00 55.73 54.35 1r0b s ARG 96 Cb -0.01 -1.75 0.04 0.00 0.52 0.00 0.00 34.95 33.75 1r0b s ARG 96 CO -0.05 0.42 1.25 -2.14 0.02 0.00 0.00 175.30 174.81 1r0b s PRO 97 N -0.38 2.07 -0.04 3.54 0.02 -1.26 -5.00 135.00 133.95 1r0b s PRO 97 Ca 0.05 1.90 -0.02 0.00 0.02 0.00 0.00 61.00 62.95 1r0b s PRO 97 Cb -0.10 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.64 1r0b s PRO 97 CO 0.00 -1.93 0.08 -1.54 -0.33 0.00 0.00 177.00 173.29 1r0b s SER 98 N -1.79 -0.05 -0.11 2.53 1.04 -1.26 -4.89 113.70 109.16 1r0b s SER 98 Ca 0.78 0.17 -0.38 0.00 0.48 0.00 0.00 55.95 56.99 1r0b s SER 98 Cb -0.33 0.10 -0.16 0.00 0.10 0.00 0.00 66.02 65.74 1r0b s SER 98 CO 0.45 -0.09 1.60 0.18 0.98 0.00 0.00 173.24 176.36 1r0b n LEU 99 N 3.72 2.21 0.00 2.42 4.77 -1.26 -4.63 117.00 124.22 1r0b n LEU 99 Ca -0.21 1.08 -0.26 0.00 -0.03 0.00 0.00 56.01 56.60 1r0b n LEU 99 Cb 0.54 -1.19 0.17 0.00 -2.33 0.00 0.00 43.42 40.62 1r0b n LEU 99 CO 0.21 -0.63 0.73 -2.65 -1.33 0.00 0.00 177.39 173.72 1r0b n PRO 100 N 4.31 -0.89 0.25 3.23 -0.02 -1.26 -5.01 135.00 135.61 1r0b n PRO 100 Ca 0.23 -2.07 -0.13 0.00 -2.02 0.00 0.00 63.50 59.51 1r0b n PRO 100 Cb 0.17 -1.09 -0.07 0.00 -0.02 0.00 0.00 33.50 32.49 1r0b n PRO 100 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1r0b h GLU 101 N 0.00 -0.65 -4.92 -0.52 4.39 -1.94 -3.41 114.58 107.52 1r0b h GLU 101 Ca -0.37 0.04 -0.42 0.00 0.34 0.00 0.00 59.36 58.95 1r0b h GLU 101 Cb 1.10 0.15 -0.14 0.00 -0.10 0.00 0.00 28.75 29.76 1r0b h GLU 101 CO 0.29 -0.35 -0.57 -0.98 -1.16 0.00 0.00 179.01 176.24 1r0b s ARG 102 N -4.53 1.59 -0.12 2.33 1.70 -1.26 -1.18 118.95 117.49 1r0b s ARG 102 Ca -0.14 -1.91 -0.03 0.00 -0.47 0.00 0.00 55.73 53.19 1r0b s ARG 102 Cb 0.02 -0.22 0.05 0.00 -0.57 0.00 0.00 34.95 34.22 1r0b s ARG 102 CO 0.46 -0.41 0.06 -1.50 -1.08 0.00 0.00 175.30 172.83 1r0b s ILE 103 N -3.58 0.06 0.30 4.99 2.07 -0.13 -4.96 121.20 119.95 1r0b s ILE 103 Ca 0.35 -0.02 0.08 0.00 -1.41 0.00 0.00 60.65 59.65 1r0b s ILE 103 Cb 0.06 -0.52 -0.03 0.00 0.13 0.00 0.00 42.46 42.09 1r0b s ILE 103 CO 0.16 -0.07 0.21 -1.81 -1.91 0.00 0.00 174.94 171.52 1r0b s ASP 104 N 2.08 5.21 -1.51 4.50 1.01 -1.26 -2.25 116.67 124.45 1r0b s ASP 104 Ca 0.03 -0.46 -0.07 0.00 0.71 0.00 0.00 52.55 52.75 1r0b s ASP 104 Cb -0.15 -1.08 0.06 0.00 1.01 0.00 0.00 42.92 42.77 1r0b s ASP 104 CO -0.07 -0.19 0.60 0.59 0.21 0.00 0.00 175.17 176.31 1r0b n ASN 105 N -1.22 -1.76 0.00 0.27 3.02 -1.23 -4.77 115.26 109.57 1r0b n ASN 105 Ca -0.05 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 1r0b n ASN 105 Cb 0.59 -3.07 0.00 0.00 -0.61 0.00 0.00 39.78 36.69 1r0b n ASN 105 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1r0b n VAL 106 N -4.42 0.00 -4.35 2.41 0.31 -1.26 -4.87 118.33 106.14 1r0b n VAL 106 Ca -0.15 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 63.98 1r0b n VAL 106 Cb 0.61 0.39 -0.09 0.00 -0.91 0.00 0.00 33.84 33.84 1r0b n VAL 106 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1r0b s LEU 107 N 0.00 1.72 -0.11 7.52 1.43 -1.26 -2.16 118.68 125.82 1r0b s LEU 107 Ca 0.00 -1.60 -0.01 0.00 -1.03 0.00 0.00 54.13 51.49 1r0b s LEU 107 Cb 0.00 0.20 0.03 0.00 0.03 0.00 0.00 46.19 46.46 1r0b s LEU 107 CO 0.00 -0.91 -0.01 0.68 0.23 0.00 0.00 176.35 176.33 1r0b s VAL 108 N -3.54 0.60 -0.30 -1.59 -7.23 -0.95 -4.66 120.40 102.73 1r0b s VAL 108 Ca 0.35 -0.14 -0.36 0.00 -1.81 0.00 0.00 61.98 60.02 1r0b s VAL 108 Cb 0.04 -0.79 -0.12 0.00 0.56 0.00 0.00 36.38 36.08 1r0b s VAL 108 CO 0.18 0.20 2.06 0.00 -0.31 0.00 0.00 175.10 177.23 1r0b h PRO 110 N 10.96 0.00 -6.28 0.00 0.11 -1.97 -3.41 132.00 131.41 1r0b h PRO 110 Ca -0.34 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.21 1r0b h PRO 110 Cb 1.31 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.39 1r0b h PRO 110 CO 1.00 0.00 0.64 1.21 -0.21 0.00 0.00 178.00 180.64 1r0b s ASN 111 N -4.65 7.14 0.12 -2.05 2.47 -1.26 -4.92 114.94 111.79 1r0b s ASN 111 Ca -0.04 1.67 0.26 0.00 0.42 0.00 0.00 52.86 55.17 1r0b s ASN 111 Cb 0.18 -2.56 0.97 0.00 -1.45 0.00 0.00 41.25 38.40 1r0b s ASN 111 CO 0.64 -0.52 1.80 -1.54 -3.72 0.00 0.00 177.10 173.76 1r0b n SER 112 N 5.14 0.45 -1.71 -4.21 3.41 -1.26 -3.18 113.62 112.25 1r0b n SER 112 Ca 0.10 0.55 0.08 0.00 -0.26 0.00 0.00 58.87 59.34 1r0b n SER 112 Cb 0.47 -0.67 0.37 0.00 -0.26 0.00 0.00 64.21 64.12 1r0b n SER 112 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1r0b n ASN 113 N -1.93 5.12 -4.88 4.04 2.85 -1.26 -4.93 115.26 114.26 1r0b n ASN 113 Ca 0.06 -2.69 -0.30 0.00 -0.11 0.00 0.00 54.58 51.53 1r0b n ASN 113 Cb 0.36 -0.63 -0.04 0.00 1.24 0.00 0.00 39.78 40.71 1r0b n ASN 113 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1r0b n ILE 115 N -1.03 0.00 1.05 0.00 0.13 -1.26 -3.70 119.36 114.55 1r0b n ILE 115 Ca 0.01 -0.19 0.12 0.00 -1.10 0.00 0.00 62.75 61.59 1r0b n ILE 115 Cb 0.54 0.29 0.58 0.00 -0.84 0.00 0.00 39.64 40.20 1r0b n ILE 115 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 1r0b n SER 116 N -0.17 0.00 -0.09 9.51 3.41 -1.26 -3.02 113.62 122.01 1r0b n SER 116 Ca 0.19 0.13 -0.23 0.00 -0.26 0.00 0.00 58.87 58.70 1r0b n SER 116 Cb 0.31 -0.36 -0.12 0.00 -0.26 0.00 0.00 64.21 63.78 1r0b n SER 116 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1r0b n HIS 117 N -1.36 0.63 0.14 7.33 8.25 -1.24 -4.71 115.22 124.27 1r0b n HIS 117 Ca 0.10 0.20 -0.08 0.00 -0.26 0.00 0.00 57.72 57.67 1r0b n HIS 117 Cb 0.22 -1.07 -0.04 0.00 1.12 0.00 0.00 29.99 30.22 1r0b n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r0b h ALA 118 N -0.36 -0.45 -2.37 -1.41 0.00 -1.78 -3.47 119.26 109.42 1r0b h ALA 118 Ca -0.50 -0.13 -0.51 0.00 0.00 0.00 0.00 54.91 53.77 1r0b h ALA 118 Cb 1.70 0.17 0.10 0.00 0.00 0.00 0.00 17.79 19.77 1r0b h ALA 118 CO -0.16 -0.43 0.36 -1.21 0.00 0.00 0.00 179.25 177.80 1r0b s GLU 119 N -3.22 2.72 -1.27 0.00 0.41 -1.17 -4.94 118.70 111.23 1r0b s GLU 119 Ca -0.08 1.22 -0.19 0.00 -0.41 0.00 0.00 54.97 55.51 1r0b s GLU 119 Cb 0.01 -1.95 0.02 0.00 -1.78 0.00 0.00 34.13 30.43 1r0b s GLU 119 CO 0.27 -1.29 1.86 -2.30 -0.49 0.00 0.00 175.26 173.31 1r0b n PRO 120 N -2.83 2.73 -3.85 0.39 -0.02 -1.26 -4.90 135.00 125.26 1r0b n PRO 120 Ca 0.09 -2.94 -0.10 0.00 -2.02 0.00 0.00 63.50 58.54 1r0b n PRO 120 Cb 0.53 -3.48 -0.08 0.00 -0.02 0.00 0.00 33.50 30.44 1r0b n PRO 120 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1r0b s VAL 121 N 5.51 0.12 0.44 -1.45 -7.23 -1.26 -5.17 120.40 111.35 1r0b s VAL 121 Ca 0.56 -0.95 -0.18 0.00 -1.81 0.00 0.00 61.98 59.59 1r0b s VAL 121 Cb 0.05 -0.98 -0.10 0.00 0.56 0.00 0.00 36.38 35.91 1r0b s VAL 121 CO 0.07 -0.53 0.92 -0.94 -0.31 0.00 0.00 175.10 174.31 1r0b s SER 122 N -2.22 6.81 1.14 4.85 1.04 -1.26 -4.97 113.70 119.08 1r0b s SER 122 Ca -0.03 1.57 -0.16 0.00 0.48 0.00 0.00 55.95 57.80 1r0b s SER 122 Cb -0.00 -2.50 0.26 0.00 0.10 0.00 0.00 66.02 63.88 1r0b s SER 122 CO -0.05 -0.40 1.08 -0.94 0.98 0.00 0.00 173.24 173.91 1r0b s SER 123 N -2.48 1.43 -0.30 7.02 1.04 -1.26 -4.88 113.70 114.26 1r0b s SER 123 Ca 0.59 0.93 -0.17 0.00 0.48 0.00 0.00 55.95 57.78 1r0b s SER 123 Cb -0.09 -1.40 0.18 0.00 0.10 0.00 0.00 66.02 64.81 1r0b s SER 123 CO 0.19 -3.84 1.17 -0.55 0.98 0.00 0.00 173.24 171.20 1r0b s SER 124 N -3.56 -0.26 -0.03 7.02 0.15 -1.26 -3.52 113.70 112.24 1r0b s SER 124 Ca 0.68 0.32 0.05 0.00 0.70 0.00 0.00 55.95 57.70 1r0b s SER 124 Cb -0.15 1.28 -0.01 0.00 -1.71 0.00 0.00 66.02 65.43 1r0b s SER 124 CO 0.58 -0.05 -0.18 -0.36 1.20 0.00 0.00 173.24 174.43 1r0b s PHE 125 N 2.34 1.72 0.77 3.44 0.08 -0.95 -0.61 117.98 124.77 1r0b s PHE 125 Ca -0.01 -0.44 -0.10 0.00 0.12 0.00 0.00 56.93 56.50 1r0b s PHE 125 Cb -0.04 -1.14 0.08 0.00 -0.57 0.00 0.00 43.02 41.35 1r0b s PHE 125 CO -0.15 -0.12 1.11 0.00 -0.10 0.00 0.00 175.22 175.96 1r0b s ALA 126 N -0.12 2.86 -0.13 5.36 0.00 0.73 -0.95 121.76 129.50 1r0b s ALA 126 Ca -0.00 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.17 1r0b s ALA 126 Cb -0.10 -2.78 0.01 0.00 0.00 0.00 0.00 23.12 20.25 1r0b s ALA 126 CO 0.01 -1.55 -0.18 0.08 0.00 0.00 0.00 175.76 174.12 1r0b s VAL 127 N -3.45 1.75 -0.17 0.00 1.01 -0.32 -2.22 120.40 117.00 1r0b s VAL 127 Ca 0.62 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1r0b s VAL 127 Cb -0.10 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1r0b s VAL 127 CO 0.47 0.49 -0.17 -0.60 0.00 0.00 0.00 175.10 175.29 1r0b s ARG 128 N 1.02 3.11 -0.52 2.72 3.00 0.20 -4.99 118.95 123.48 1r0b s ARG 128 Ca -0.04 -0.79 -0.28 0.00 -1.00 0.00 0.00 55.73 53.62 1r0b s ARG 128 Cb -0.15 -2.61 0.03 0.00 0.00 0.00 0.00 34.95 32.22 1r0b s ARG 128 CO -0.04 -0.10 1.11 0.15 0.00 0.00 0.00 175.30 176.42 1r0b s LYS 129 N 1.08 3.57 0.41 5.12 1.02 -1.26 0.22 119.74 129.90 1r0b s LYS 129 Ca -0.00 0.30 0.07 0.00 0.02 0.00 0.00 55.97 56.36 1r0b s LYS 129 Cb -0.14 -3.97 -0.05 0.00 -0.52 0.00 0.00 37.83 33.15 1r0b s LYS 129 CO -0.06 -1.49 0.18 1.03 -0.92 0.00 0.00 175.35 174.10 1r0b s ARG 130 N 4.51 2.23 -0.02 1.68 0.52 -1.25 -4.92 118.95 121.69 1r0b s ARG 130 Ca 0.43 -1.84 -0.11 0.00 -0.52 0.00 0.00 55.73 53.69 1r0b s ARG 130 Cb -0.08 -1.99 -0.31 0.00 0.52 0.00 0.00 34.95 33.09 1r0b s ARG 130 CO 0.27 -0.12 0.79 0.00 0.02 0.00 0.00 175.30 176.27 1r0b h ALA 131 N 1.41 0.10 -0.12 2.13 0.00 -2.01 -3.34 119.26 117.43 1r0b h ALA 131 Ca -0.43 -1.06 -0.10 0.00 0.00 0.00 0.00 54.91 53.32 1r0b h ALA 131 Cb 1.25 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1r0b h ALA 131 CO 0.70 0.96 -0.32 -0.97 0.00 0.00 0.00 179.25 179.63 1r0b h ASN 132 N 0.11 0.48 0.00 0.00 -0.73 -2.02 -3.47 115.58 109.95 1r0b h ASN 132 Ca -0.30 -0.59 0.00 0.00 1.87 0.00 0.00 56.30 57.28 1r0b h ASN 132 Cb 2.10 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 40.55 1r0b h ASN 132 CO 0.20 0.98 0.00 -0.90 -0.37 0.00 0.00 177.43 177.35 1r0b n ASP 133 N -4.40 0.00 -4.71 1.15 5.68 -1.25 -5.13 116.55 107.89 1r0b n ASP 133 Ca -0.07 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.80 1r0b n ASP 133 Cb 0.49 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.44 1r0b n ASP 133 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1r0b s ILE 134 N -1.02 3.23 -0.02 2.12 -4.36 -1.26 -3.91 121.20 115.99 1r0b s ILE 134 Ca 0.00 0.84 -0.02 0.00 -0.26 0.00 0.00 60.65 61.21 1r0b s ILE 134 Cb 0.00 -3.54 -0.04 0.00 1.25 0.00 0.00 42.46 40.13 1r0b s ILE 134 CO 0.00 0.05 0.11 0.00 0.24 0.00 0.00 174.94 175.34 1r0b s ALA 135 N 1.41 3.71 -0.14 2.27 0.00 0.13 -3.65 121.76 125.49 1r0b s ALA 135 Ca 0.66 -0.82 -0.07 0.00 0.00 0.00 0.00 51.96 51.73 1r0b s ALA 135 Cb -0.37 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 1r0b s ALA 135 CO 0.30 0.70 0.10 -0.51 0.00 0.00 0.00 175.76 176.35 1r0b s LEU 136 N -1.72 4.13 -0.05 0.00 1.43 -0.02 0.60 118.68 123.05 1r0b s LEU 136 Ca 0.23 0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.62 1r0b s LEU 136 Cb -0.12 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1r0b s LEU 136 CO 0.14 0.32 0.05 -0.75 0.23 0.00 0.00 176.35 176.34 1r0b s LYS 137 N -0.49 3.05 0.41 1.70 2.47 -0.94 0.14 119.74 126.08 1r0b s LYS 137 Ca 0.11 -0.42 -0.26 0.00 -1.56 0.00 0.00 55.97 53.85 1r0b s LYS 137 Cb -0.12 -2.86 -0.08 0.00 -1.46 0.00 0.00 37.83 33.31 1r0b s LYS 137 CO 0.02 0.69 1.28 0.00 0.16 0.00 0.00 175.35 177.50 1r0b h LYS 139 N 2.61 0.52 0.00 0.00 3.64 -1.25 -3.26 116.57 118.84 1r0b h LYS 139 Ca -0.49 -0.69 0.00 0.00 -1.27 0.00 0.00 60.65 58.20 1r0b h LYS 139 Cb 1.25 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 1r0b h LYS 139 CO 0.62 1.29 0.00 0.66 -2.27 0.00 0.00 179.45 179.76 1r0b n TYR 140 N -3.74 0.00 0.25 1.91 4.01 -1.26 -4.62 117.16 113.71 1r0b n TYR 140 Ca -0.11 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.74 1r0b n TYR 140 Cb 0.96 -0.30 0.62 0.00 -0.31 0.00 0.00 39.34 40.31 1r0b n TYR 140 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1r0b n GLU 142 N -3.54 -3.09 -3.67 0.00 1.02 -1.23 -4.94 120.64 105.18 1r0b n GLU 142 Ca -0.01 0.59 -0.26 0.00 -0.02 0.00 0.00 57.16 57.46 1r0b n GLU 142 Cb 0.31 -4.67 -0.17 0.00 -0.02 0.00 0.00 31.44 26.90 1r0b n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1r0b s LYS 143 N -4.46 0.32 -0.22 3.49 3.01 -1.26 -4.78 119.74 115.83 1r0b s LYS 143 Ca 0.16 -0.19 -0.34 0.00 -1.01 0.00 0.00 55.97 54.59 1r0b s LYS 143 Cb -0.02 -1.85 -0.11 0.00 -1.01 0.00 0.00 37.83 34.84 1r0b s LYS 143 CO 0.51 -0.63 2.04 0.39 0.51 0.00 0.00 175.35 178.17 1r0b n GLU 144 N 5.18 1.67 -4.13 1.68 1.02 -1.25 -3.97 120.64 120.84 1r0b n GLU 144 Ca -0.08 0.55 -0.26 0.00 -0.02 0.00 0.00 57.16 57.35 1r0b n GLU 144 Cb 0.48 -2.63 -0.17 0.00 -0.02 0.00 0.00 31.44 29.10 1r0b n GLU 144 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1r0b s PHE 145 N 5.88 1.53 1.10 -0.32 2.99 0.38 -4.85 117.98 124.70 1r0b s PHE 145 Ca 1.01 -0.71 -0.16 0.00 0.00 0.00 0.00 56.93 57.07 1r0b s PHE 145 Cb -0.72 -1.21 0.15 0.00 0.00 0.00 0.00 43.02 41.24 1r0b s PHE 145 CO 0.49 -0.45 0.39 -1.13 -0.00 0.00 0.00 175.22 174.52 1r0b n SER 146 N 4.57 -2.04 0.11 1.36 3.41 -1.26 -0.84 113.62 118.93 1r0b n SER 146 Ca -0.16 -0.05 0.05 0.00 -0.26 0.00 0.00 58.87 58.45 1r0b n SER 146 Cb 0.51 -1.10 0.01 0.00 -0.26 0.00 0.00 64.21 63.37 1r0b n SER 146 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1r0b h HIS 147 N -2.16 0.00 0.00 7.33 2.07 -1.93 -3.22 115.15 117.24 1r0b h HIS 147 Ca -0.54 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 56.98 1r0b h HIS 147 Cb 1.34 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.32 1r0b h HIS 147 CO 0.23 0.34 0.00 0.09 -3.07 0.00 0.00 177.93 175.52 1r0b n ASN 148 N -2.98 0.00 0.00 3.10 4.13 -1.26 -3.78 115.26 114.47 1r0b n ASN 148 Ca -0.02 -0.15 0.00 0.00 1.68 0.00 0.00 54.58 56.10 1r0b n ASN 148 Cb 0.70 -0.26 0.00 0.00 -1.54 0.00 0.00 39.78 38.68 1r0b n ASN 148 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1r0b n VAL 149 N -1.26 0.00 -2.48 2.41 3.14 -1.24 -5.03 118.33 113.87 1r0b n VAL 149 Ca 0.13 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 61.11 1r0b n VAL 149 Cb 0.19 0.19 -0.04 0.00 -1.06 0.00 0.00 33.84 33.11 1r0b n VAL 149 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1r0b s VAL 150 N -1.78 3.51 0.70 1.55 1.01 -1.22 -5.01 120.40 119.16 1r0b s VAL 150 Ca 0.00 1.47 -0.01 0.00 0.00 0.00 0.00 61.98 63.44 1r0b s VAL 150 Cb 0.00 -3.92 0.14 0.00 0.00 0.00 0.00 36.38 32.60 1r0b s VAL 150 CO 0.00 0.31 0.95 0.18 0.00 0.00 0.00 175.10 176.55 1r0b n LEU 151 N 1.02 0.00 -4.48 3.92 4.77 -1.26 -4.94 117.00 116.03 1r0b n LEU 151 Ca -0.00 -1.92 -0.23 0.00 -0.03 0.00 0.00 56.01 53.83 1r0b n LEU 151 Cb 0.45 -0.63 -0.11 0.00 -2.33 0.00 0.00 43.42 40.81 1r0b n LEU 151 CO 0.53 -0.99 -0.29 0.00 -1.33 0.00 0.00 177.39 175.32 1r0b s ALA 152 N -3.21 2.51 -0.74 -1.18 0.00 -1.26 -2.25 121.76 115.63 1r0b s ALA 152 Ca 0.62 -2.08 0.06 0.00 0.00 0.00 0.00 51.96 50.56 1r0b s ALA 152 Cb -0.03 0.50 0.05 0.00 0.00 0.00 0.00 23.12 23.64 1r0b s ALA 152 CO 0.41 -0.24 0.69 0.09 0.00 0.00 0.00 175.76 176.71