#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r5t n GLY 4 N 0.00 1.14 2.73 2.92 0.00 -1.26 0.37 105.19 111.09 1r5t n GLY 4 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 46.02 46.90 1r5t n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r5t n GLY 5 N 4.19 0.88 3.29 -0.02 0.00 -1.26 -5.01 105.19 107.26 1r5t n GLY 5 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 1r5t n GLY 5 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r5t s ILE 6 N -3.52 3.19 0.43 -0.61 -1.09 0.16 -5.08 121.20 114.68 1r5t s ILE 6 Ca 0.00 -0.56 -0.26 0.00 -2.23 0.00 0.00 60.65 57.61 1r5t s ILE 6 Cb 0.00 -2.44 -0.09 0.00 -1.58 0.00 0.00 42.46 38.36 1r5t s ILE 6 CO 0.00 0.44 1.43 -1.61 -1.23 0.00 0.00 174.94 173.97 1r5t s GLU 7 N 1.40 3.79 0.53 2.79 2.02 -1.26 -4.64 118.70 123.32 1r5t s GLU 7 Ca 0.05 2.42 0.20 0.00 0.02 0.00 0.00 54.97 57.66 1r5t s GLU 7 Cb -0.14 -2.72 1.38 0.00 0.10 0.00 0.00 34.13 32.75 1r5t s GLU 7 CO -0.04 -0.74 2.16 -0.44 0.02 0.00 0.00 175.26 176.22 1r5t h ASP 8 N 2.48 0.00 0.80 -0.19 3.32 -1.98 -0.97 116.42 119.88 1r5t h ASP 8 Ca -0.51 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.46 1r5t h ASP 8 Cb 1.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1r5t h ASP 8 CO 0.62 0.02 -0.42 0.08 -1.72 0.00 0.00 179.24 177.82 1r5t h ARG 9 N 0.00 0.00 0.04 3.56 0.11 -1.99 -1.54 114.38 114.56 1r5t h ARG 9 Ca -0.00 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.86 1r5t h ARG 9 Cb 0.04 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.14 1r5t h ARG 9 CO 0.00 0.42 -0.87 1.96 0.10 0.00 0.00 179.97 181.58 1r5t h GLN 10 N 0.00 0.52 -0.36 0.08 4.20 -1.57 -2.40 115.11 115.59 1r5t h GLN 10 Ca -0.00 -0.61 -0.02 0.00 0.06 0.00 0.00 58.65 58.08 1r5t h GLN 10 Cb 0.93 0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 1r5t h GLN 10 CO 0.05 1.24 0.16 1.25 -0.67 0.00 0.00 178.83 180.86 1r5t h LEU 11 N 0.08 0.48 -0.48 1.46 5.85 -1.24 0.43 115.31 121.89 1r5t h LEU 11 Ca -0.12 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1r5t h LEU 11 Cb 1.57 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 1r5t h LEU 11 CO 0.17 0.49 0.25 -0.33 -0.34 0.00 0.00 178.44 178.68 1r5t h GLU 12 N 0.43 0.68 -0.82 1.25 4.39 -1.36 -0.45 114.58 118.69 1r5t h GLU 12 Ca 0.12 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 1r5t h GLU 12 Cb 0.15 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 1r5t h GLU 12 CO -0.01 0.55 0.37 0.00 -1.16 0.00 0.00 179.01 178.76 1r5t h ALA 13 N 1.09 1.07 -0.28 3.43 0.00 -1.27 -2.10 119.26 121.20 1r5t h ALA 13 Ca 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1r5t h ALA 13 Cb 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1r5t h ALA 13 CO -0.02 0.66 0.15 -0.07 0.00 0.00 0.00 179.25 179.96 1r5t h LEU 14 N 1.18 0.36 -0.93 0.00 3.38 -0.34 -0.41 115.31 118.54 1r5t h LEU 14 Ca 0.28 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1r5t h LEU 14 Cb 0.16 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1r5t h LEU 14 CO -0.03 0.36 0.60 0.11 0.09 0.00 0.00 178.44 179.57 1r5t h LYS 15 N 0.33 1.24 -0.45 1.13 1.57 -0.91 -0.79 116.57 118.69 1r5t h LYS 15 Ca 0.10 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1r5t h LYS 15 Cb 0.09 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1r5t h LYS 15 CO -0.01 0.84 -0.06 0.00 -0.57 0.00 0.00 179.45 179.65 1r5t h ARG 16 N 1.27 0.84 -0.76 3.15 3.08 -1.12 -2.26 114.38 118.58 1r5t h ARG 16 Ca 0.34 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 1r5t h ARG 16 Cb -0.12 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 1r5t h ARG 16 CO -0.07 0.92 0.29 0.00 -1.07 0.00 0.00 179.97 180.05 1r5t h ALA 17 N 0.89 1.08 -0.13 0.04 0.00 -0.64 -2.64 119.26 117.87 1r5t h ALA 17 Ca 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1r5t h ALA 17 Cb 0.58 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1r5t h ALA 17 CO 0.03 0.65 0.05 0.00 0.00 0.00 0.00 179.25 179.99 1r5t h ALA 18 N 1.21 0.17 -0.44 0.00 0.00 -1.01 -1.51 119.26 117.68 1r5t h ALA 18 Ca 0.25 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1r5t h ALA 18 Cb 0.22 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1r5t h ALA 18 CO -0.02 -0.25 0.17 -0.07 0.00 0.00 0.00 179.25 179.08 1r5t h LEU 19 N 0.06 0.20 -0.27 0.00 3.38 -1.25 -2.44 115.31 114.98 1r5t h LEU 19 Ca 0.04 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1r5t h LEU 19 Cb 0.16 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1r5t h LEU 19 CO -0.00 0.15 0.00 0.07 0.09 0.00 0.00 178.44 178.74 1r5t h LYS 20 N 0.35 0.00 0.00 1.13 5.09 -1.44 -3.21 116.57 118.49 1r5t h LYS 20 Ca 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.91 1r5t h LYS 20 Cb 0.18 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.51 1r5t h LYS 20 CO -0.19 0.00 -0.14 0.00 -2.09 0.00 0.00 179.45 177.02 1r5t h ALA 21 N 2.14 1.44 0.00 0.07 0.00 -0.76 -2.46 119.26 119.69 1r5t h ALA 21 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1r5t h ALA 21 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1r5t h ALA 21 CO 0.00 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1r5t h GLU 23 N 0.00 0.00 -0.01 0.00 4.11 -1.69 -2.89 114.58 114.10 1r5t h GLU 23 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1r5t h GLU 23 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1r5t h GLU 23 CO 0.00 0.00 -0.12 1.28 0.07 0.00 0.00 179.01 180.24 1r5t n LEU 24 N -2.71 0.82 -4.77 3.06 4.77 -0.40 -4.94 117.00 112.82 1r5t n LEU 24 Ca 0.04 -0.18 -0.41 0.00 -0.03 0.00 0.00 56.01 55.42 1r5t n LEU 24 Cb 0.41 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 1r5t n LEU 24 CO 0.29 0.15 1.14 -0.55 -1.33 0.00 0.00 177.39 177.09 1r5t s SER 25 N -2.33 6.42 -0.38 -1.43 0.15 -1.09 -4.85 113.70 110.18 1r5t s SER 25 Ca 0.31 2.96 0.02 0.00 0.70 0.00 0.00 55.95 59.94 1r5t s SER 25 Cb 0.20 -2.65 0.11 0.00 -1.71 0.00 0.00 66.02 61.96 1r5t s SER 25 CO 0.45 -0.83 0.12 -0.47 1.20 0.00 0.00 173.24 173.71 1r5t s TYR 26 N -0.77 3.66 -0.39 3.44 5.04 -0.21 -4.98 117.35 123.13 1r5t s TYR 26 Ca 0.55 -2.86 0.10 0.00 -2.44 0.00 0.00 57.07 52.42 1r5t s TYR 26 Cb -0.46 -3.01 0.32 0.00 0.35 0.00 0.00 41.96 39.17 1r5t s TYR 26 CO 0.57 -0.93 0.74 -1.13 -1.34 0.00 0.00 175.55 173.46 1r5t n SER 27 N 4.21 0.11 0.00 4.32 3.41 -1.26 -0.20 113.62 124.21 1r5t n SER 27 Ca 0.03 -3.04 0.10 0.00 -0.26 0.00 0.00 58.87 55.69 1r5t n SER 27 Cb 0.41 -0.19 0.46 0.00 -0.26 0.00 0.00 64.21 64.63 1r5t n SER 27 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1r5t n PRO 28 N 0.60 0.13 -0.10 4.33 -0.04 -1.26 -0.33 135.00 138.33 1r5t n PRO 28 Ca 0.21 0.13 -0.24 0.00 -0.04 0.00 0.00 63.50 63.56 1r5t n PRO 28 Cb 0.64 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.48 1r5t n PRO 28 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1r5t n TYR 29 N -1.40 0.60 -0.01 0.54 4.02 -1.26 -4.57 117.16 115.07 1r5t n TYR 29 Ca 0.07 0.22 0.06 0.00 -0.01 0.00 0.00 57.90 58.23 1r5t n TYR 29 Cb 0.20 -1.06 -0.14 0.00 -0.02 0.00 0.00 39.34 38.31 1r5t n TYR 29 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1r5t n SER 30 N -4.11 0.18 -0.13 7.72 3.41 -1.24 -4.95 113.62 114.49 1r5t n SER 30 Ca -0.41 0.07 -0.02 0.00 -0.26 0.00 0.00 58.87 58.25 1r5t n SER 30 Cb 0.84 1.44 -0.01 0.00 -0.26 0.00 0.00 64.21 66.22 1r5t n SER 30 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1r5t n HIS 31 N -2.47 0.00 -3.13 7.33 8.25 0.55 -4.93 115.22 120.82 1r5t n HIS 31 Ca -0.10 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.93 1r5t n HIS 31 Cb 0.72 -1.76 -0.07 0.00 1.12 0.00 0.00 29.99 30.00 1r5t n HIS 31 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1r5t s PHE 32 N -1.33 3.07 -0.18 4.41 5.36 -1.26 -5.05 117.98 123.00 1r5t s PHE 32 Ca 0.00 -0.12 -0.14 0.00 -0.96 0.00 0.00 56.93 55.71 1r5t s PHE 32 Cb 0.00 -3.31 -0.04 0.00 -0.34 0.00 0.00 43.02 39.32 1r5t s PHE 32 CO 0.00 -0.87 0.32 1.03 -1.46 0.00 0.00 175.22 174.24 1r5t s ARG 33 N 2.74 4.22 -0.02 10.12 0.52 -1.26 -4.86 118.95 130.41 1r5t s ARG 33 Ca 0.21 0.10 0.06 0.00 -0.52 0.00 0.00 55.73 55.58 1r5t s ARG 33 Cb -0.15 -3.47 -0.01 0.00 0.52 0.00 0.00 34.95 31.84 1r5t s ARG 33 CO 0.18 0.14 -0.18 0.08 0.02 0.00 0.00 175.30 175.54 1r5t s VAL 34 N 0.77 1.45 0.07 3.52 1.01 -1.26 -2.82 120.40 123.14 1r5t s VAL 34 Ca 0.17 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.45 1r5t s VAL 34 Cb -0.14 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1r5t s VAL 34 CO 0.05 0.41 -0.22 -0.83 0.00 0.00 0.00 175.10 174.51 1r5t s GLY 35 N -0.39 1.24 -0.03 4.51 0.00 -0.26 -2.80 107.32 109.59 1r5t s GLY 35 Ca 0.06 -1.19 -0.05 0.00 0.00 0.00 0.00 44.72 43.54 1r5t s GLY 35 CO -0.00 -1.14 0.13 0.00 0.00 0.00 0.00 173.10 172.08 1r5t s SER 37 N -0.48 0.84 -0.03 0.00 1.04 -0.64 -0.23 113.70 114.20 1r5t s SER 37 Ca -0.06 -0.30 0.04 0.00 0.48 0.00 0.00 55.95 56.12 1r5t s SER 37 Cb -0.04 -0.04 -0.00 0.00 0.10 0.00 0.00 66.02 66.04 1r5t s SER 37 CO 0.01 -0.03 -0.14 -0.63 0.98 0.00 0.00 173.24 173.43 1r5t s ILE 38 N -0.64 1.16 -0.25 -1.02 1.01 0.41 -1.11 121.20 120.77 1r5t s ILE 38 Ca -0.02 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 1r5t s ILE 38 Cb -0.05 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 1r5t s ILE 38 CO 0.00 0.34 0.16 -0.22 0.00 0.00 0.00 174.94 175.23 1r5t s LEU 39 N 0.02 4.09 0.60 2.97 2.96 -0.34 -1.36 118.68 127.62 1r5t s LEU 39 Ca -0.02 0.08 -0.08 0.00 -0.22 0.00 0.00 54.13 53.90 1r5t s LEU 39 Cb -0.09 -2.10 -0.00 0.00 0.50 0.00 0.00 46.19 44.49 1r5t s LEU 39 CO 0.01 0.04 0.94 0.42 -1.32 0.00 0.00 176.35 176.44 1r5t s THR 40 N 1.20 3.93 0.62 3.68 -4.23 -0.44 -0.23 115.64 120.16 1r5t s THR 40 Ca 0.07 0.23 0.35 0.00 -1.18 0.00 0.00 61.69 61.16 1r5t s THR 40 Cb -0.14 -3.57 0.39 0.00 1.34 0.00 0.00 72.50 70.52 1r5t s THR 40 CO 0.06 -0.64 2.26 -1.13 -0.54 0.00 0.00 174.62 174.63 1r5t h ASN 41 N -0.23 0.00 0.42 3.99 -1.24 -1.67 0.55 115.58 117.39 1r5t h ASN 41 Ca -0.45 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.56 1r5t h ASN 41 Cb 1.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.29 1r5t h ASN 41 CO 0.62 0.00 0.00 -3.20 -1.29 0.00 0.00 177.43 173.56 1r5t n ASN 42 N -3.54 0.00 -2.77 1.15 4.05 -1.26 -4.89 115.26 108.01 1r5t n ASN 42 Ca -0.02 -0.06 -0.19 0.00 0.45 0.00 0.00 54.58 54.75 1r5t n ASN 42 Cb 0.12 -0.28 0.05 0.00 1.23 0.00 0.00 39.78 40.90 1r5t n ASN 42 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1r5t n ASP 43 N -1.28 -5.48 -4.47 1.20 8.00 0.19 -5.01 116.55 109.70 1r5t n ASP 43 Ca 0.11 -0.33 -0.33 0.00 0.71 0.00 0.00 54.79 54.95 1r5t n ASP 43 Cb 0.18 -4.21 -0.13 0.00 -0.02 0.00 0.00 41.12 36.94 1r5t n ASP 43 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1r5t s VAL 44 N -3.16 3.14 -0.17 2.53 1.01 -1.26 -4.90 120.40 117.60 1r5t s VAL 44 Ca 0.36 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 1r5t s VAL 44 Cb -0.16 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1r5t s VAL 44 CO 0.45 0.58 0.10 -0.63 0.00 0.00 0.00 175.10 175.59 1r5t s ILE 45 N -0.55 5.13 0.13 2.22 1.01 -1.26 -1.33 121.20 126.55 1r5t s ILE 45 Ca 0.08 0.08 0.11 0.00 0.00 0.00 0.00 60.65 60.92 1r5t s ILE 45 Cb -0.12 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 1r5t s ILE 45 CO 0.01 0.50 -0.27 -0.36 0.00 0.00 0.00 174.94 174.82 1r5t s PHE 46 N -0.02 2.30 0.11 3.97 0.40 -0.46 -4.95 117.98 119.32 1r5t s PHE 46 Ca 0.08 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 56.07 1r5t s PHE 46 Cb -0.12 -1.25 -0.04 0.00 0.51 0.00 0.00 43.02 42.13 1r5t s PHE 46 CO 0.00 0.33 -0.10 0.95 0.70 0.00 0.00 175.22 177.10 1r5t s THR 47 N -1.06 0.99 0.18 0.64 -4.23 -1.26 -0.44 115.64 110.46 1r5t s THR 47 Ca 0.14 -1.72 -0.12 0.00 -1.18 0.00 0.00 61.69 58.81 1r5t s THR 47 Cb -0.10 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.29 1r5t s THR 47 CO 0.06 -0.59 0.38 -0.83 -0.54 0.00 0.00 174.62 173.10 1r5t s GLY 48 N -2.57 0.31 0.10 3.99 0.00 0.68 -4.50 107.32 105.32 1r5t s GLY 48 Ca 0.07 -0.68 -0.04 0.00 0.00 0.00 0.00 44.72 44.08 1r5t s GLY 48 CO 0.00 -0.63 0.09 0.00 0.00 0.00 0.00 173.10 172.56 1r5t s ALA 49 N -3.94 0.35 0.37 3.20 0.00 -1.26 -1.08 121.76 119.39 1r5t s ALA 49 Ca 0.15 -1.08 -0.25 0.00 0.00 0.00 0.00 51.96 50.78 1r5t s ALA 49 Cb 0.02 0.55 -0.09 0.00 0.00 0.00 0.00 23.12 23.60 1r5t s ALA 49 CO 0.00 -0.47 1.06 0.54 0.00 0.00 0.00 175.76 176.89 1r5t s ASN 50 N -2.94 6.88 -0.21 0.00 4.22 -1.12 -4.10 114.94 117.67 1r5t s ASN 50 Ca 0.12 2.09 0.00 0.00 -2.14 0.00 0.00 52.86 52.93 1r5t s ASN 50 Cb 0.06 -2.59 0.05 0.00 1.28 0.00 0.00 41.25 40.05 1r5t s ASN 50 CO -0.06 -0.41 -0.05 -0.69 -2.04 0.00 0.00 177.10 173.85 1r5t s VAL 51 N -1.54 1.35 0.59 3.54 1.01 -0.02 -1.05 120.40 124.28 1r5t s VAL 51 Ca 0.55 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1r5t s VAL 51 Cb -0.24 -1.59 0.05 0.00 0.00 0.00 0.00 36.38 34.60 1r5t s VAL 51 CO 0.30 -0.01 0.83 -1.61 0.00 0.00 0.00 175.10 174.61 1r5t s GLU 52 N 1.50 2.38 0.02 2.72 2.02 0.72 -1.07 118.70 126.99 1r5t s GLU 52 Ca -0.03 -0.76 -0.12 0.00 0.02 0.00 0.00 54.97 54.08 1r5t s GLU 52 Cb -0.17 -2.43 0.01 0.00 0.10 0.00 0.00 34.13 31.64 1r5t s GLU 52 CO -0.07 -0.88 0.24 1.21 0.02 0.00 0.00 175.26 175.78 1r5t s ASN 53 N -4.48 -0.07 0.37 -0.19 3.84 -1.26 -4.89 114.94 108.26 1r5t s ASN 53 Ca 0.59 -0.15 0.15 0.00 0.21 0.00 0.00 52.86 53.66 1r5t s ASN 53 Cb -0.10 0.29 1.01 0.00 -0.55 0.00 0.00 41.25 41.91 1r5t s ASN 53 CO 0.40 -0.50 1.78 0.00 -2.79 0.00 0.00 177.10 175.99 1r5t h ALA 54 N 3.70 2.08 -1.98 1.71 0.00 -2.00 -3.23 119.26 119.54 1r5t h ALA 54 Ca -0.31 0.07 -0.68 0.00 0.00 0.00 0.00 54.91 53.99 1r5t h ALA 54 Cb 1.19 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.80 1r5t h ALA 54 CO 0.44 -0.47 0.15 0.45 0.00 0.00 0.00 179.25 179.81 1r5t s SER 55 N -5.32 6.22 0.51 0.00 0.15 -1.26 -4.93 113.70 109.06 1r5t s SER 55 Ca -0.09 -1.03 0.34 0.00 0.70 0.00 0.00 55.95 55.86 1r5t s SER 55 Cb 0.25 -2.31 1.47 0.00 -1.71 0.00 0.00 66.02 63.72 1r5t s SER 55 CO 0.80 -1.03 1.75 1.88 1.20 0.00 0.00 173.24 177.84 1r5t h TYR 56 N 9.12 0.19 -0.02 3.44 0.99 -2.00 0.24 116.97 128.93 1r5t h TYR 56 Ca -0.28 0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.46 1r5t h TYR 56 Cb 1.09 -0.05 -0.00 0.00 1.00 0.00 0.00 36.73 38.77 1r5t h TYR 56 CO 0.81 -0.01 0.01 1.03 -0.00 0.00 0.00 178.16 180.00 1r5t h SER 57 N 0.09 0.00 0.38 3.88 0.87 -1.91 -1.97 113.55 114.88 1r5t h SER 57 Ca 0.64 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.20 1r5t h SER 57 Cb 2.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.27 1r5t h SER 57 CO -0.11 0.00 -0.02 0.59 -0.53 0.00 0.00 176.83 176.76 1r5t n ASN 58 N -4.52 0.12 -4.75 6.23 4.13 0.85 -4.91 115.26 112.42 1r5t n ASN 58 Ca -0.03 -0.46 -0.41 0.00 1.68 0.00 0.00 54.58 55.36 1r5t n ASN 58 Cb 0.11 -0.17 -0.02 0.00 -1.54 0.00 0.00 39.78 38.16 1r5t n ASN 58 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1r5t s ILE 60 N -0.14 3.05 0.90 0.00 1.01 -0.23 -5.01 121.20 120.78 1r5t s ILE 60 Ca 0.60 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 60.50 1r5t s ILE 60 Cb -0.45 -2.32 0.13 0.00 0.01 0.00 0.00 42.46 39.83 1r5t s ILE 60 CO 0.47 0.49 1.10 0.00 0.00 0.00 0.00 174.94 177.00 1r5t h ALA 62 N -1.54 0.71 -0.61 0.00 0.00 -1.84 -1.81 119.26 114.17 1r5t h ALA 62 Ca -0.50 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.36 1r5t h ALA 62 Cb 1.30 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 1r5t h ALA 62 CO 0.57 0.29 0.26 0.93 0.00 0.00 0.00 179.25 181.29 1r5t h GLU 63 N 0.75 0.45 -0.12 0.00 3.07 -1.90 -0.63 114.58 116.20 1r5t h GLU 63 Ca 0.19 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.89 1r5t h GLU 63 Cb 0.14 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1r5t h GLU 63 CO -0.02 0.30 -0.51 0.00 -1.40 0.00 0.00 179.01 177.38 1r5t h ARG 64 N 0.46 0.33 -0.46 2.33 3.08 -1.89 -1.41 114.38 116.83 1r5t h ARG 64 Ca 0.30 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1r5t h ARG 64 Cb 0.33 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1r5t h ARG 64 CO -0.27 0.77 0.13 0.77 -1.07 0.00 0.00 179.97 180.30 1r5t h SER 65 N 0.26 0.67 -0.77 7.04 0.02 -0.61 -0.62 113.55 119.55 1r5t h SER 65 Ca 0.01 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.71 1r5t h SER 65 Cb 0.99 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 1r5t h SER 65 CO 0.08 0.71 0.35 0.00 -1.14 0.00 0.00 176.83 176.83 1r5t h ALA 66 N 0.99 1.00 -0.58 3.77 0.00 -0.96 -1.89 119.26 121.59 1r5t h ALA 66 Ca 0.15 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1r5t h ALA 66 Cb 0.28 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1r5t h ALA 66 CO -0.00 0.59 -0.06 0.52 0.00 0.00 0.00 179.25 180.30 1r5t h MET 67 N 1.10 1.06 -0.35 0.00 2.07 -1.02 -1.65 114.93 116.15 1r5t h MET 67 Ca 0.26 -0.37 0.03 0.00 -2.07 0.00 0.00 59.70 57.56 1r5t h MET 67 Cb 0.16 -0.08 -0.03 0.00 -1.87 0.00 0.00 31.60 29.77 1r5t h MET 67 CO -0.03 1.07 0.15 0.82 1.07 0.00 0.00 176.91 179.99 1r5t h ILE 68 N 0.95 0.95 -0.22 -1.22 1.08 -0.79 0.67 117.51 118.93 1r5t h ILE 68 Ca 0.16 -0.11 0.04 0.00 -0.39 0.00 0.00 64.86 64.56 1r5t h ILE 68 Cb 0.63 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 34.94 1r5t h ILE 68 CO 0.04 0.06 -0.03 1.56 -0.69 0.00 0.00 178.15 179.09 1r5t h GLN 69 N 0.32 0.03 -0.07 2.37 1.08 -1.05 0.12 115.11 117.91 1r5t h GLN 69 Ca 0.15 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1r5t h GLN 69 Cb 0.09 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1r5t h GLN 69 CO -0.12 0.02 0.04 0.28 -0.95 0.00 0.00 178.83 178.10 1r5t h VAL 70 N 0.03 1.04 -0.88 -0.54 2.07 -0.84 -2.53 116.25 114.60 1r5t h VAL 70 Ca 0.11 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1r5t h VAL 70 Cb 0.15 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1r5t h VAL 70 CO -0.21 0.04 0.47 -0.07 0.02 0.00 0.00 177.57 177.82 1r5t h LEU 71 N 0.07 1.10 -0.46 2.57 3.38 -0.65 -1.98 115.31 119.35 1r5t h LEU 71 Ca 0.03 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1r5t h LEU 71 Cb 0.02 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1r5t h LEU 71 CO -0.00 0.89 0.00 0.23 0.09 0.00 0.00 178.44 179.65 1r5t n MET 72 N -4.34 0.16 0.00 1.13 2.81 0.39 -1.24 117.12 116.03 1r5t n MET 72 Ca 0.09 0.35 0.12 0.00 -1.81 0.00 0.00 57.70 56.45 1r5t n MET 72 Cb 0.10 -1.78 0.31 0.00 -0.71 0.00 0.00 33.22 31.14 1r5t n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1r5t n ALA 73 N -1.71 3.30 -0.24 3.04 0.00 -0.79 -4.95 120.51 119.15 1r5t n ALA 73 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1r5t n ALA 73 Cb 0.25 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1r5t n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r5t n GLY 74 N 1.40 0.86 3.34 0.00 0.00 -0.37 -5.04 105.19 105.38 1r5t n GLY 74 Ca 0.10 -0.12 -0.47 0.00 0.00 0.00 0.00 46.02 45.53 1r5t n GLY 74 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1r5t s HIS 75 N -2.00 3.74 -2.34 1.61 3.76 -0.95 -4.87 115.29 114.24 1r5t s HIS 75 Ca 0.00 -1.99 0.21 0.00 -0.15 0.00 0.00 55.06 53.14 1r5t s HIS 75 Cb 0.00 -3.85 0.61 0.00 1.11 0.00 0.00 32.58 30.45 1r5t s HIS 75 CO 0.00 -1.02 1.48 0.54 -0.85 0.00 0.00 174.74 174.89 1r5t n ARG 76 N 4.09 2.00 -3.75 1.40 1.74 -1.26 -4.21 116.66 116.67 1r5t n ARG 76 Ca 0.15 -1.51 -0.07 0.00 -0.77 0.00 0.00 57.85 55.66 1r5t n ARG 76 Cb 0.47 -1.43 -0.02 0.00 -1.02 0.00 0.00 32.46 30.46 1r5t n ARG 76 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1r5t s SER 77 N -1.51 -0.29 -0.51 0.55 1.04 -1.26 -4.94 113.70 106.77 1r5t s SER 77 Ca 0.34 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1r5t s SER 77 Cb 0.19 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.94 1r5t s SER 77 CO 0.27 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1r5t n GLY 78 N -0.44 0.75 3.76 7.32 0.00 -1.26 -4.66 105.19 110.66 1r5t n GLY 78 Ca -0.07 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 1r5t n GLY 78 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1r5t s TRP 79 N -2.15 2.50 -0.19 1.61 0.51 -1.26 -2.01 118.94 117.96 1r5t s TRP 79 Ca 0.00 1.31 0.16 0.00 -2.12 0.00 0.00 56.10 55.46 1r5t s TRP 79 Cb 0.00 -3.84 -0.24 0.00 -0.81 0.00 0.00 33.47 28.57 1r5t s TRP 79 CO 0.00 -2.75 0.11 1.63 -0.51 0.00 0.00 176.95 175.43 1r5t n LYS 80 N -0.28 0.68 -3.51 4.98 5.02 0.68 -4.82 118.16 120.90 1r5t n LYS 80 Ca 0.06 0.03 -0.08 0.00 -2.02 0.00 0.00 58.31 56.29 1r5t n LYS 80 Cb 0.43 -1.55 -0.02 0.00 -0.02 0.00 0.00 35.03 33.87 1r5t n LYS 80 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r5t s MET 82 N -2.95 0.01 -0.04 0.00 1.75 -0.99 -1.20 119.30 115.88 1r5t s MET 82 Ca 0.05 0.05 0.06 0.00 -1.25 0.00 0.00 55.69 54.60 1r5t s MET 82 Cb -0.01 -0.03 -0.01 0.00 2.84 0.00 0.00 34.83 37.62 1r5t s MET 82 CO -0.08 -0.03 -0.23 0.08 -0.65 0.00 0.00 175.02 174.11 1r5t s VAL 83 N 0.18 1.83 -0.08 10.11 1.01 -0.27 -0.02 120.40 133.16 1r5t s VAL 83 Ca -0.01 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.04 1r5t s VAL 83 Cb -0.02 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1r5t s VAL 83 CO -0.01 0.52 -0.20 -0.63 0.00 0.00 0.00 175.10 174.78 1r5t s ILE 84 N -0.27 1.73 -0.28 2.22 1.01 0.81 -1.63 121.20 124.79 1r5t s ILE 84 Ca 0.01 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.86 1r5t s ILE 84 Cb -0.11 -1.51 0.07 0.00 0.01 0.00 0.00 42.46 40.92 1r5t s ILE 84 CO 0.02 0.49 -0.07 0.00 0.00 0.00 0.00 174.94 175.37 1r5t s GLY 86 N 1.06 1.72 -0.20 0.00 0.00 -1.11 -1.10 107.32 107.69 1r5t s GLY 86 Ca -0.04 -1.25 0.01 0.00 0.00 0.00 0.00 44.72 43.45 1r5t s GLY 86 CO -0.06 -1.02 1.52 1.34 0.00 0.00 0.00 173.10 174.87 1r5t n ASP 87 N -2.17 3.97 -4.42 1.64 4.64 -1.13 -1.91 116.55 117.17 1r5t n ASP 87 Ca 0.05 -2.73 -0.37 0.00 -1.38 0.00 0.00 54.79 50.36 1r5t n ASP 87 Cb 0.59 -0.73 -0.12 0.00 -1.04 0.00 0.00 41.12 39.81 1r5t n ASP 87 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 1r5t s SER 88 N 0.14 5.27 0.10 1.67 0.01 -1.26 -4.87 113.70 114.75 1r5t s SER 88 Ca 0.24 -0.42 -0.26 0.00 1.31 0.00 0.00 55.95 56.82 1r5t s SER 88 Cb 0.20 -1.94 -0.12 0.00 0.21 0.00 0.00 66.02 64.37 1r5t s SER 88 CO 0.03 -0.12 1.68 -0.33 0.41 0.00 0.00 173.24 174.91 1r5t h GLU 89 N 8.27 -0.34 -0.95 12.44 5.08 -1.95 0.25 114.58 137.38 1r5t h GLU 89 Ca -0.35 0.02 -0.57 0.00 -1.00 0.00 0.00 59.36 57.47 1r5t h GLU 89 Cb 1.15 0.08 -0.42 0.00 0.50 0.00 0.00 28.75 30.06 1r5t h GLU 89 CO 0.60 -0.23 -0.72 -0.25 -1.00 0.00 0.00 179.01 177.41 1r5t n ASP 90 N -5.29 5.00 -3.64 1.42 9.92 -1.26 -4.38 116.55 118.32 1r5t n ASP 90 Ca -0.08 -3.75 -0.06 0.00 -0.53 0.00 0.00 54.79 50.37 1r5t n ASP 90 Cb 0.20 -0.40 -0.07 0.00 -0.64 0.00 0.00 41.12 40.22 1r5t n ASP 90 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1r5t s GLN 91 N -3.60 0.69 0.15 -1.24 0.74 -1.25 -5.12 119.66 110.03 1r5t s GLN 91 Ca 0.51 1.24 -0.31 0.00 0.05 0.00 0.00 55.36 56.85 1r5t s GLN 91 Cb 0.41 0.22 -0.09 0.00 1.10 0.00 0.00 33.01 34.65 1r5t s GLN 91 CO -0.02 -0.16 1.44 0.00 -0.55 0.00 0.00 175.29 176.00 1r5t s VAL 93 N 0.93 4.40 0.05 0.00 0.11 -1.10 -4.92 120.40 119.87 1r5t s VAL 93 Ca 0.65 1.71 0.02 0.00 -2.93 0.00 0.00 61.98 61.43 1r5t s VAL 93 Cb -0.39 -4.10 -0.04 0.00 -1.53 0.00 0.00 36.38 30.32 1r5t s VAL 93 CO 0.32 0.01 0.07 -0.94 -3.33 0.00 0.00 175.10 171.23 1r5t s SER 94 N 1.34 5.52 0.42 3.54 1.04 -1.26 -4.43 113.70 119.87 1r5t s SER 94 Ca 0.54 0.03 -0.25 0.00 0.48 0.00 0.00 55.95 56.75 1r5t s SER 94 Cb -0.23 -1.50 -0.08 0.00 0.10 0.00 0.00 66.02 64.31 1r5t s SER 94 CO 0.21 0.21 1.26 -2.84 0.98 0.00 0.00 173.24 173.06 1r5t s PRO 95 N -2.13 3.91 0.92 4.02 0.02 -1.26 -5.02 135.00 135.46 1r5t s PRO 95 Ca 0.27 2.05 -0.13 0.00 0.02 0.00 0.00 61.00 63.20 1r5t s PRO 95 Cb -0.12 -2.67 0.14 0.00 0.02 0.00 0.00 34.50 31.87 1r5t s PRO 95 CO 0.19 -0.50 1.15 0.00 -0.33 0.00 0.00 177.00 177.50 1r5t h GLY 97 N -1.52 0.41 1.01 0.00 0.00 -1.99 -1.98 103.07 98.99 1r5t h GLY 97 Ca -0.50 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 46.61 1r5t h GLY 97 CO 0.60 0.17 0.17 -2.08 0.00 0.00 0.00 176.54 175.40 1r5t h VAL 98 N 0.38 1.24 -0.14 4.60 2.07 -2.00 -2.23 116.25 120.18 1r5t h VAL 98 Ca 0.10 -0.84 -0.17 0.00 0.82 0.00 0.00 66.70 66.61 1r5t h VAL 98 Cb 0.07 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1r5t h VAL 98 CO -0.01 0.32 -0.61 0.00 0.02 0.00 0.00 177.57 177.29 1r5t h ARG 100 N 0.35 1.13 -0.48 0.00 3.08 -1.21 0.25 114.38 117.51 1r5t h ARG 100 Ca -0.01 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 59.78 1r5t h ARG 100 Cb 1.15 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 1r5t h ARG 100 CO 0.11 0.89 -0.04 0.37 -1.07 0.00 0.00 179.97 180.23 1r5t h GLN 101 N 1.10 0.83 -0.22 0.04 5.75 -1.36 -1.11 115.11 120.15 1r5t h GLN 101 Ca 0.26 -0.25 -0.07 0.00 -0.15 0.00 0.00 58.65 58.45 1r5t h GLN 101 Cb 0.15 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 1r5t h GLN 101 CO -0.03 0.86 -0.12 0.35 -2.65 0.00 0.00 178.83 177.24 1r5t h PHE 102 N 0.76 0.54 -0.53 3.99 3.57 -1.03 -3.17 116.94 121.08 1r5t h PHE 102 Ca 0.14 -0.14 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 1r5t h PHE 102 Cb 0.52 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1r5t h PHE 102 CO 0.03 0.76 0.11 0.82 -2.23 0.00 0.00 178.31 177.80 1r5t h ILE 103 N 0.16 1.25 -0.34 1.41 2.04 -0.87 -2.86 117.51 118.29 1r5t h ILE 103 Ca 0.05 -0.90 0.10 0.00 1.00 0.00 0.00 64.86 65.11 1r5t h ILE 103 Cb 0.62 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1r5t h ILE 103 CO 0.03 0.33 0.35 -1.13 0.00 0.00 0.00 178.15 177.73 1r5t h ASN 104 N 0.75 0.00 0.42 1.72 -1.24 -1.20 -1.12 115.58 114.90 1r5t h ASN 104 Ca 0.16 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.11 1r5t h ASN 104 Cb 0.37 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 1r5t h ASN 104 CO 0.01 0.00 -0.30 -0.08 -1.29 0.00 0.00 177.43 175.76 1r5t h GLU 105 N 0.00 0.00 0.00 6.67 4.57 -1.48 -3.34 114.58 121.01 1r5t h GLU 105 Ca 0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1r5t h GLU 105 Cb 0.86 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 1r5t h GLU 105 CO -0.00 0.30 -0.50 1.19 -1.18 0.00 0.00 179.01 178.82 1r5t n PHE 106 N -3.95 0.00 -4.39 0.92 3.01 -0.45 -5.08 117.46 107.52 1r5t n PHE 106 Ca -0.02 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.19 1r5t n PHE 106 Cb 0.37 -0.03 -0.09 0.00 -0.01 0.00 0.00 39.48 39.72 1r5t n PHE 106 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1r5t s VAL 107 N -1.71 2.42 0.65 -4.37 -7.23 -1.04 -4.53 120.40 104.59 1r5t s VAL 107 Ca 0.01 -1.98 -0.11 0.00 -1.81 0.00 0.00 61.98 58.09 1r5t s VAL 107 Cb 0.04 -2.83 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 1r5t s VAL 107 CO 0.22 -0.14 1.06 0.68 -0.31 0.00 0.00 175.10 176.60 1r5t s VAL 108 N -2.57 4.22 0.54 1.32 -7.23 -1.26 -4.87 120.40 110.55 1r5t s VAL 108 Ca 0.35 0.72 0.21 0.00 -1.81 0.00 0.00 61.98 61.45 1r5t s VAL 108 Cb 0.02 -3.71 0.31 0.00 0.56 0.00 0.00 36.38 33.56 1r5t s VAL 108 CO 0.19 -0.94 2.14 0.07 -0.31 0.00 0.00 175.10 176.24 1r5t h LYS 109 N -0.45 0.00 -0.06 4.82 2.10 -1.96 -1.65 116.57 119.37 1r5t h LYS 109 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1r5t h LYS 109 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1r5t h LYS 109 CO 0.63 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.83 1r5t n ASP 110 N -4.35 0.99 -4.68 7.07 8.00 -1.26 -1.16 116.55 121.15 1r5t n ASP 110 Ca -0.00 -1.46 -0.49 0.00 0.71 0.00 0.00 54.79 53.54 1r5t n ASP 110 Cb 0.20 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.21 1r5t n ASP 110 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1r5t n PHE 111 N -0.18 2.30 -2.75 1.24 7.35 -0.62 -4.71 117.46 120.09 1r5t n PHE 111 Ca 0.18 0.05 -0.41 0.00 -0.76 0.00 0.00 57.45 56.52 1r5t n PHE 111 Cb 0.24 -2.64 -0.05 0.00 0.35 0.00 0.00 39.48 37.39 1r5t n PHE 111 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1r5t s PRO 112 N 3.76 4.73 -0.21 -7.13 0.04 -1.26 -0.88 135.00 134.05 1r5t s PRO 112 Ca 0.92 1.44 0.01 0.00 0.04 0.00 0.00 61.00 63.41 1r5t s PRO 112 Cb -0.72 -3.35 0.05 0.00 0.04 0.00 0.00 34.50 30.53 1r5t s PRO 112 CO 0.51 0.31 -0.08 0.42 0.04 0.00 0.00 177.00 178.21 1r5t s ILE 113 N -0.37 1.60 -0.13 0.56 1.01 -0.13 -2.35 121.20 121.39 1r5t s ILE 113 Ca 0.45 -1.11 -0.16 0.00 0.00 0.00 0.00 60.65 59.83 1r5t s ILE 113 Cb -0.24 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1r5t s ILE 113 CO 0.30 0.05 0.38 -0.69 0.00 0.00 0.00 174.94 174.97 1r5t s VAL 114 N 1.39 5.24 -0.13 2.92 1.01 0.97 -2.00 120.40 129.81 1r5t s VAL 114 Ca -0.03 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.71 1r5t s VAL 114 Cb -0.17 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1r5t s VAL 114 CO -0.07 0.38 -0.21 -0.04 0.00 0.00 0.00 175.10 175.15 1r5t s MET 115 N 0.43 3.07 0.23 2.72 -1.94 0.43 -0.13 119.30 124.12 1r5t s MET 115 Ca 0.21 -0.84 0.12 0.00 -1.71 0.00 0.00 55.69 53.47 1r5t s MET 115 Cb -0.14 -2.43 -0.05 0.00 2.01 0.00 0.00 34.83 34.22 1r5t s MET 115 CO 0.07 0.06 -0.22 -0.51 -0.01 0.00 0.00 175.02 174.41 1r5t s LEU 116 N 0.65 2.52 0.91 -0.03 1.43 0.55 -1.14 118.68 123.58 1r5t s LEU 116 Ca -0.10 -0.93 -0.14 0.00 -1.03 0.00 0.00 54.13 51.93 1r5t s LEU 116 Cb -0.16 -1.16 0.17 0.00 0.03 0.00 0.00 46.19 45.07 1r5t s LEU 116 CO 0.02 0.09 1.26 0.54 0.23 0.00 0.00 176.35 178.49 1r5t s ASN 117 N -3.03 3.48 0.52 2.29 4.22 -1.09 -2.70 114.94 118.62 1r5t s ASN 117 Ca 0.25 0.29 0.29 0.00 -2.14 0.00 0.00 52.86 51.54 1r5t s ASN 117 Cb -0.07 -0.44 1.42 0.00 1.28 0.00 0.00 41.25 43.44 1r5t s ASN 117 CO 0.12 -2.50 1.91 0.77 -2.04 0.00 0.00 177.10 175.36 1r5t h SER 118 N -1.43 0.05 0.13 3.54 4.64 -0.23 -2.40 113.55 117.85 1r5t h SER 118 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1r5t h SER 118 Cb 1.25 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1r5t h SER 118 CO 0.43 0.02 -1.79 0.35 -0.87 0.00 0.00 176.83 174.97 1r5t n THR 119 N -4.32 0.07 -0.47 2.95 -2.24 -1.26 -4.93 114.28 104.08 1r5t n THR 119 Ca 0.16 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1r5t n THR 119 Cb 0.84 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1r5t n THR 119 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r5t n GLY 120 N 1.27 0.75 0.20 3.38 0.00 -0.90 -4.94 105.19 104.96 1r5t n GLY 120 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.08 1r5t n GLY 120 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r5t h SER 121 N 0.00 0.00 -4.23 1.61 4.64 -1.94 -3.44 113.55 110.19 1r5t h SER 121 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 1r5t h SER 121 Cb 0.00 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.78 1r5t h SER 121 CO 0.00 0.26 -0.88 -0.13 -0.87 0.00 0.00 176.83 175.21 1r5t s ARG 122 N -3.44 2.20 0.03 4.77 0.52 -1.26 -5.06 118.95 116.71 1r5t s ARG 122 Ca 0.02 -0.85 0.01 0.00 -0.52 0.00 0.00 55.73 54.39 1r5t s ARG 122 Cb 0.09 -1.97 -0.02 0.00 0.52 0.00 0.00 34.95 33.57 1r5t s ARG 122 CO 0.66 0.43 -0.04 -1.54 0.02 0.00 0.00 175.30 174.82 1r5t s SER 123 N -0.32 0.44 -0.03 0.23 1.04 -1.26 -2.68 113.70 111.13 1r5t s SER 123 Ca 0.02 -0.48 -0.01 0.00 0.48 0.00 0.00 55.95 55.96 1r5t s SER 123 Cb -0.12 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.10 1r5t s SER 123 CO 0.01 -0.24 0.06 -0.75 0.98 0.00 0.00 173.24 173.30 1r5t s LYS 124 N -1.39 0.02 -0.06 4.02 2.47 -0.29 -4.98 119.74 119.52 1r5t s LYS 124 Ca -0.13 0.19 0.04 0.00 -1.56 0.00 0.00 55.97 54.52 1r5t s LYS 124 Cb -0.09 -0.15 -0.02 0.00 -1.46 0.00 0.00 37.83 36.11 1r5t s LYS 124 CO -0.00 -0.12 -0.18 0.08 0.16 0.00 0.00 175.35 175.28 1r5t s VAL 125 N 0.78 2.67 -0.06 4.02 1.01 -1.26 -0.42 120.40 127.14 1r5t s VAL 125 Ca -0.06 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 1r5t s VAL 125 Cb -0.09 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.28 1r5t s VAL 125 CO -0.03 0.57 0.25 -0.04 0.00 0.00 0.00 175.10 175.86 1r5t s MET 126 N -0.35 0.44 0.67 2.72 -1.94 -0.85 -4.99 119.30 115.00 1r5t s MET 126 Ca 0.03 0.06 -0.11 0.00 -1.71 0.00 0.00 55.69 53.96 1r5t s MET 126 Cb -0.12 0.20 -0.00 0.00 2.01 0.00 0.00 34.83 36.91 1r5t s MET 126 CO 0.02 -0.09 1.06 0.95 -0.01 0.00 0.00 175.02 176.95 1r5t s THR 127 N -0.57 3.87 0.16 2.05 -4.23 -1.26 -0.95 115.64 114.70 1r5t s THR 127 Ca -0.07 0.55 -0.16 0.00 -1.18 0.00 0.00 61.69 60.83 1r5t s THR 127 Cb -0.04 -3.59 0.03 0.00 1.34 0.00 0.00 72.50 70.24 1r5t s THR 127 CO 0.02 -0.77 1.75 -0.03 -0.54 0.00 0.00 174.62 175.05 1r5t h MET 128 N -0.51 0.26 -0.34 3.99 4.05 -0.85 -1.66 114.93 119.88 1r5t h MET 128 Ca -0.45 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 58.95 1r5t h MET 128 Cb 1.23 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.96 1r5t h MET 128 CO 0.63 0.17 0.16 0.78 0.23 0.00 0.00 176.91 178.88 1r5t h GLY 129 N 0.27 0.50 1.23 1.39 0.00 -1.42 0.25 103.07 105.28 1r5t h GLY 129 Ca 0.17 -0.21 -0.20 0.00 0.00 0.00 0.00 47.33 47.09 1r5t h GLY 129 CO -0.18 0.21 -0.64 0.83 0.00 0.00 0.00 176.54 176.76 1r5t h GLU 130 N 0.47 0.79 0.00 4.80 5.08 -1.68 -2.95 114.58 121.10 1r5t h GLU 130 Ca 0.12 -0.55 -0.14 0.00 -1.00 0.00 0.00 59.36 57.79 1r5t h GLU 130 Cb 0.06 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1r5t h GLU 130 CO -0.02 1.18 -0.65 -0.07 -1.00 0.00 0.00 179.01 178.45 1r5t h LEU 131 N 0.58 0.00 -6.24 1.33 3.38 -0.82 -3.38 115.31 110.16 1r5t h LEU 131 Ca -0.01 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.38 1r5t h LEU 131 Cb 1.25 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.60 1r5t h LEU 131 CO 0.13 0.65 -0.96 -0.11 0.09 0.00 0.00 178.44 178.24 1r5t n LEU 132 N -3.52 0.59 -4.76 1.67 7.94 0.03 -5.08 117.00 113.87 1r5t n LEU 132 Ca -0.00 -4.71 -0.38 0.00 -1.11 0.00 0.00 56.01 49.81 1r5t n LEU 132 Cb 0.70 0.34 0.03 0.00 0.53 0.00 0.00 43.42 45.02 1r5t n LEU 132 CO 0.42 1.97 0.91 -2.84 -1.11 0.00 0.00 177.39 176.74 1r5t s PRO 133 N -0.92 3.27 -1.53 1.96 0.02 -1.11 -3.22 135.00 133.47 1r5t s PRO 133 Ca 0.34 2.03 -0.11 0.00 0.02 0.00 0.00 61.00 63.29 1r5t s PRO 133 Cb 0.10 -2.23 0.08 0.00 0.02 0.00 0.00 34.50 32.47 1r5t s PRO 133 CO -0.14 -1.02 0.78 -1.33 -0.33 0.00 0.00 177.00 174.96 1r5t n MET 134 N -0.99 -4.33 -1.59 5.54 2.81 -1.26 -4.85 117.12 112.45 1r5t n MET 134 Ca 0.10 0.50 -0.45 0.00 -1.81 0.00 0.00 57.70 56.04 1r5t n MET 134 Cb 0.47 -5.15 -0.02 0.00 -0.71 0.00 0.00 33.22 27.81 1r5t n MET 134 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1r5t n ALA 135 N -4.49 -0.30 1.45 3.04 0.00 -1.20 -5.28 120.51 113.73 1r5t n ALA 135 Ca -0.06 0.40 0.12 0.00 0.00 0.00 0.00 53.44 53.89 1r5t n ALA 135 Cb 0.57 -2.01 0.69 0.00 0.00 0.00 0.00 19.45 18.69 1r5t n ALA 135 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84