#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r5t n VAL 3 N 0.00 -6.97 -1.68 0.58 0.31 -1.26 -5.01 118.33 104.30 1r5t n VAL 3 Ca 0.00 0.32 -0.32 0.00 -0.01 0.00 0.00 64.34 64.34 1r5t n VAL 3 Cb 0.00 -5.78 0.04 0.00 -0.91 0.00 0.00 33.84 27.19 1r5t n VAL 3 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1r5t s GLY 4 N -2.12 1.81 0.00 2.92 0.00 -1.26 -3.49 107.32 105.18 1r5t s GLY 4 Ca 0.10 0.20 0.00 0.00 0.00 0.00 0.00 44.72 45.02 1r5t s GLY 4 CO 0.44 0.52 0.00 0.61 0.00 0.00 0.00 173.10 174.67 1r5t n GLY 5 N -1.59 0.63 2.78 0.20 0.00 -1.26 -4.97 105.19 100.99 1r5t n GLY 5 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.73 0.57 0.66 -0.61 1.01 -1.23 -5.12 121.20 113.75 1r5t s ILE 6 Ca 0.00 -0.24 -0.17 0.00 0.00 0.00 0.00 60.65 60.24 1r5t s ILE 6 Cb 0.00 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 1r5t s ILE 6 CO 0.00 0.09 0.79 -0.62 0.00 0.00 0.00 174.94 175.20 1r5t n GLU 7 N 5.06 0.58 0.03 2.79 1.02 -1.26 -4.81 120.64 124.05 1r5t n GLU 7 Ca -0.09 0.24 -0.02 0.00 -0.02 0.00 0.00 57.16 57.28 1r5t n GLU 7 Cb 0.49 -2.03 0.25 0.00 -0.02 0.00 0.00 31.44 30.13 1r5t n GLU 7 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1r5t h ASP 8 N 0.02 0.44 -0.71 1.62 3.32 -1.96 -2.44 116.42 116.71 1r5t h ASP 8 Ca -0.47 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 56.50 1r5t h ASP 8 Cb 1.36 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.74 1r5t h ASP 8 CO 0.47 0.64 0.43 0.03 -1.72 0.00 0.00 179.24 179.09 1r5t h ARG 9 N 0.41 0.79 -0.33 3.56 3.08 -2.00 -1.21 114.38 118.68 1r5t h ARG 9 Ca 0.07 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.91 1r5t h ARG 9 Cb 0.55 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1r5t h ARG 9 CO 0.04 0.52 -0.44 1.96 -1.07 0.00 0.00 179.97 180.98 1r5t h GLN 10 N 0.81 0.88 -0.58 0.04 4.20 -1.85 -2.36 115.11 116.25 1r5t h GLN 10 Ca 0.30 -0.50 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 1r5t h GLN 10 Cb 0.09 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1r5t h GLN 10 CO -0.14 1.15 0.34 1.25 -0.67 0.00 0.00 178.83 180.75 1r5t h LEU 11 N 0.67 0.71 -0.32 1.46 5.85 -1.12 0.22 115.31 122.80 1r5t h LEU 11 Ca 0.04 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1r5t h LEU 11 Cb 1.04 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1r5t h LEU 11 CO 0.10 0.58 0.20 -0.33 -0.34 0.00 0.00 178.44 178.65 1r5t h GLU 12 N 0.78 0.42 -0.51 1.25 5.08 -1.19 -0.00 114.58 120.42 1r5t h GLU 12 Ca 0.21 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1r5t h GLU 12 Cb 0.01 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1r5t h GLU 12 CO -0.04 0.31 0.25 0.00 -1.00 0.00 0.00 179.01 178.54 1r5t h ALA 13 N 1.09 1.49 -0.39 3.43 0.00 -1.13 -2.21 119.26 121.53 1r5t h ALA 13 Ca 0.11 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1r5t h ALA 13 Cb -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1r5t h ALA 13 CO -0.02 0.41 -0.04 -0.07 0.00 0.00 0.00 179.25 179.53 1r5t h LEU 14 N 0.71 0.71 -0.49 0.00 3.38 -0.17 -2.23 115.31 117.23 1r5t h LEU 14 Ca 0.18 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1r5t h LEU 14 Cb 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1r5t h LEU 14 CO -0.03 0.87 0.32 0.11 0.09 0.00 0.00 178.44 179.81 1r5t h LYS 15 N 0.53 0.63 -0.49 1.13 1.57 -0.48 -1.17 116.57 118.29 1r5t h LYS 15 Ca 0.10 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 1r5t h LYS 15 Cb 0.54 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1r5t h LYS 15 CO 0.03 0.42 -0.08 -0.09 -0.57 0.00 0.00 179.45 179.16 1r5t h ARG 16 N 0.65 0.91 -0.73 3.15 2.43 -1.39 -1.74 114.38 117.66 1r5t h ARG 16 Ca 0.18 -0.33 0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1r5t h ARG 16 Cb -0.07 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 1r5t h ARG 16 CO -0.04 0.98 0.48 0.00 -1.51 0.00 0.00 179.97 179.88 1r5t h ALA 17 N 0.90 0.92 -0.53 2.80 0.00 -1.10 -0.47 119.26 121.79 1r5t h ALA 17 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1r5t h ALA 17 Cb 0.62 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1r5t h ALA 17 CO 0.04 0.34 0.17 0.00 0.00 0.00 0.00 179.25 179.80 1r5t h ALA 18 N 1.27 0.69 -0.05 0.00 0.00 -1.06 -0.24 119.26 119.87 1r5t h ALA 18 Ca 0.27 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1r5t h ALA 18 Cb -0.11 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1r5t h ALA 18 CO -0.06 0.34 -0.19 -0.07 0.00 0.00 0.00 179.25 179.27 1r5t h LEU 19 N 0.72 -0.56 -1.24 0.00 -0.00 -0.67 -2.63 115.31 110.94 1r5t h LEU 19 Ca 0.17 0.09 -0.03 0.00 -0.00 0.00 0.00 57.88 58.11 1r5t h LEU 19 Cb 0.26 0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1r5t h LEU 19 CO -0.01 -0.24 -0.15 0.11 -0.00 0.00 0.00 178.44 178.15 1r5t h LYS 20 N -0.28 0.00 0.00 1.13 1.79 -0.95 -3.15 116.57 115.11 1r5t h LYS 20 Ca 0.07 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1r5t h LYS 20 Cb 0.38 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1r5t h LYS 20 CO -0.21 0.15 -0.04 0.00 -1.08 0.00 0.00 179.45 178.26 1r5t h ALA 21 N 1.85 1.86 -0.40 3.86 0.00 -0.64 -2.44 119.26 123.35 1r5t h ALA 21 Ca -0.00 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.99 1r5t h ALA 21 Cb 0.66 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1r5t h ALA 21 CO 0.02 0.05 0.43 0.00 0.00 0.00 0.00 179.25 179.75 1r5t h GLU 23 N 0.00 0.00 -0.00 0.00 5.08 -1.69 -2.21 114.58 115.76 1r5t h GLU 23 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1r5t h GLU 23 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1r5t h GLU 23 CO -0.00 0.00 -0.27 1.28 -1.00 0.00 0.00 179.01 179.02 1r5t n LEU 24 N -2.71 0.74 -4.76 1.33 4.77 0.30 -4.96 117.00 111.71 1r5t n LEU 24 Ca 0.00 -0.11 -0.39 0.00 -0.03 0.00 0.00 56.01 55.48 1r5t n LEU 24 Cb 0.22 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1r5t n LEU 24 CO 0.22 0.14 1.05 -0.55 -1.33 0.00 0.00 177.39 176.92 1r5t s SER 25 N -2.63 5.67 -0.50 -1.43 0.15 -0.83 -4.82 113.70 109.31 1r5t s SER 25 Ca 0.22 2.90 0.04 0.00 0.70 0.00 0.00 55.95 59.80 1r5t s SER 25 Cb 0.19 -2.65 0.13 0.00 -1.71 0.00 0.00 66.02 61.98 1r5t s SER 25 CO 0.55 -1.31 0.24 -0.47 1.20 0.00 0.00 173.24 173.45 1r5t s TYR 26 N -1.22 3.11 -0.40 3.44 5.04 -0.20 -4.96 117.35 122.16 1r5t s TYR 26 Ca 0.64 -3.10 0.12 0.00 -2.44 0.00 0.00 57.07 52.29 1r5t s TYR 26 Cb -0.43 -2.74 0.40 0.00 0.35 0.00 0.00 41.96 39.53 1r5t s TYR 26 CO 0.54 -0.76 0.91 0.43 -1.34 0.00 0.00 175.55 175.33 1r5t n SER 27 N 3.22 2.26 0.00 4.32 7.64 -1.26 -0.17 113.62 129.63 1r5t n SER 27 Ca 0.05 -3.12 0.04 0.00 1.01 0.00 0.00 58.87 56.85 1r5t n SER 27 Cb 0.33 -0.55 0.25 0.00 -1.01 0.00 0.00 64.21 63.22 1r5t n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1r5t n PRO 28 N -0.05 0.20 -0.06 1.43 -0.04 -1.26 -0.31 135.00 134.91 1r5t n PRO 28 Ca 0.23 0.11 -0.06 0.00 -0.04 0.00 0.00 63.50 63.74 1r5t n PRO 28 Cb 0.68 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.16 0.09 0.13 0.54 4.02 -1.26 -4.65 117.16 114.86 1r5t n TYR 29 Ca 0.05 0.04 0.03 0.00 -0.01 0.00 0.00 57.90 58.02 1r5t n TYR 29 Cb 0.05 -0.36 0.02 0.00 -0.02 0.00 0.00 39.34 39.03 1r5t n TYR 29 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1r5t h SER 30 N -0.66 0.00 0.00 7.72 4.64 -1.97 -3.46 113.55 119.82 1r5t h SER 30 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r5t h SER 30 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1r5t h SER 30 CO 0.00 0.44 0.00 1.41 -0.87 0.00 0.00 176.83 177.81 1r5t n HIS 31 N -3.13 0.00 -3.07 4.77 8.25 0.58 -4.96 115.22 117.66 1r5t n HIS 31 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 1r5t n HIS 31 Cb 0.72 -0.84 -0.06 0.00 1.12 0.00 0.00 29.99 30.94 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 -2.17 3.37 -0.02 4.41 5.36 -1.26 -5.02 117.98 122.65 1r5t s PHE 32 Ca 0.00 0.97 -0.00 0.00 -0.96 0.00 0.00 56.93 56.94 1r5t s PHE 32 Cb 0.00 -2.85 -0.04 0.00 -0.34 0.00 0.00 43.02 39.80 1r5t s PHE 32 CO 0.00 -0.21 0.03 1.03 -1.46 0.00 0.00 175.22 174.61 1r5t s ARG 33 N 2.05 2.93 -0.01 10.12 0.52 -1.26 -4.79 118.95 128.52 1r5t s ARG 33 Ca 0.30 -0.52 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1r5t s ARG 33 Cb -0.16 -2.77 0.01 0.00 0.52 0.00 0.00 34.95 32.55 1r5t s ARG 33 CO 0.10 0.65 -0.01 0.08 0.02 0.00 0.00 175.30 176.15 1r5t s VAL 34 N -1.08 0.11 0.10 3.52 1.01 -1.26 -0.94 120.40 121.86 1r5t s VAL 34 Ca 0.19 0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.28 1r5t s VAL 34 Cb -0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 1r5t s VAL 34 CO 0.10 0.07 -0.27 -0.83 0.00 0.00 0.00 175.10 174.17 1r5t s GLY 35 N 0.34 1.51 -0.02 4.51 0.00 0.31 -2.81 107.32 111.16 1r5t s GLY 35 Ca -0.03 -1.40 -0.02 0.00 0.00 0.00 0.00 44.72 43.28 1r5t s GLY 35 CO -0.01 -1.34 0.05 0.00 0.00 0.00 0.00 173.10 171.80 1r5t s SER 37 N 0.00 1.23 -0.04 0.00 1.04 -0.43 -0.33 113.70 115.18 1r5t s SER 37 Ca -0.00 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.11 1r5t s SER 37 Cb -0.01 -0.08 0.01 0.00 0.10 0.00 0.00 66.02 66.04 1r5t s SER 37 CO 0.00 0.02 -0.10 -0.63 0.98 0.00 0.00 173.24 173.51 1r5t s ILE 38 N -0.66 0.90 -0.25 -1.02 1.01 -0.16 -0.95 121.20 120.07 1r5t s ILE 38 Ca 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 1r5t s ILE 38 Cb -0.06 -0.81 -0.05 0.00 0.01 0.00 0.00 42.46 41.55 1r5t s ILE 38 CO 0.00 0.28 0.16 -0.22 0.00 0.00 0.00 174.94 175.17 1r5t s LEU 39 N 0.36 4.03 0.84 2.97 2.96 -0.35 -1.56 118.68 127.94 1r5t s LEU 39 Ca -0.07 0.05 -0.12 0.00 -0.22 0.00 0.00 54.13 53.77 1r5t s LEU 39 Cb -0.11 -2.10 0.13 0.00 0.50 0.00 0.00 46.19 44.61 1r5t s LEU 39 CO 0.01 0.02 1.19 0.42 -1.32 0.00 0.00 176.35 176.67 1r5t s THR 40 N 1.34 2.06 0.45 3.68 -4.23 -0.10 0.12 115.64 118.95 1r5t s THR 40 Ca 0.07 -0.10 0.13 0.00 -1.18 0.00 0.00 61.69 60.61 1r5t s THR 40 Cb -0.15 -2.96 0.21 0.00 1.34 0.00 0.00 72.50 70.94 1r5t s THR 40 CO 0.07 0.00 2.02 -1.13 -0.54 0.00 0.00 174.62 175.04 1r5t h ASN 41 N -1.17 0.11 -0.82 3.99 -0.73 -1.82 -1.60 115.58 113.54 1r5t h ASN 41 Ca -0.44 -0.01 -0.43 0.00 1.87 0.00 0.00 56.30 57.29 1r5t h ASN 41 Cb 1.28 -0.03 -0.25 0.00 0.27 0.00 0.00 38.32 39.59 1r5t h ASN 41 CO 0.51 0.20 0.54 -0.46 -0.37 0.00 0.00 177.43 177.86 1r5t n ASN 42 N -4.38 3.70 -2.87 1.15 2.04 -1.26 -4.91 115.26 108.72 1r5t n ASN 42 Ca -0.02 -3.32 -0.21 0.00 -0.44 0.00 0.00 54.58 50.60 1r5t n ASN 42 Cb 0.19 -0.78 0.01 0.00 -2.53 0.00 0.00 39.78 36.67 1r5t n ASN 42 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1r5t n ASP 43 N -0.84 -5.30 -4.88 0.53 8.00 -0.60 -5.00 116.55 108.46 1r5t n ASP 43 Ca 0.49 -0.18 -0.37 0.00 0.71 0.00 0.00 54.79 55.44 1r5t n ASP 43 Cb 1.45 -4.35 -0.06 0.00 -0.02 0.00 0.00 41.12 38.14 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 -3.02 5.43 -0.17 2.53 1.01 -1.26 -4.83 120.40 120.08 1r5t s VAL 44 Ca 0.21 0.27 -0.07 0.00 0.00 0.00 0.00 61.98 62.39 1r5t s VAL 44 Cb -0.10 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1r5t s VAL 44 CO 0.26 0.58 0.05 -0.63 0.00 0.00 0.00 175.10 175.37 1r5t s ILE 45 N -1.07 4.71 0.10 2.22 1.01 -1.26 -0.92 121.20 125.99 1r5t s ILE 45 Ca 0.18 -0.07 0.10 0.00 0.00 0.00 0.00 60.65 60.86 1r5t s ILE 45 Cb -0.13 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1r5t s ILE 45 CO 0.07 0.47 -0.23 -0.36 0.00 0.00 0.00 174.94 174.90 1r5t s PHE 46 N 0.28 2.42 0.15 3.97 0.40 -0.60 -4.97 117.98 119.64 1r5t s PHE 46 Ca 0.03 -0.33 0.05 0.00 -0.60 0.00 0.00 56.93 56.08 1r5t s PHE 46 Cb -0.12 -1.33 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 1r5t s PHE 46 CO 0.00 0.32 -0.11 0.95 0.70 0.00 0.00 175.22 177.08 1r5t s THR 47 N -1.04 1.25 0.13 0.64 -4.23 -1.26 -0.98 115.64 110.15 1r5t s THR 47 Ca 0.15 -2.08 -0.15 0.00 -1.18 0.00 0.00 61.69 58.43 1r5t s THR 47 Cb -0.10 -1.87 0.03 0.00 1.34 0.00 0.00 72.50 71.90 1r5t s THR 47 CO 0.07 -0.72 0.39 -0.83 -0.54 0.00 0.00 174.62 172.99 1r5t s GLY 48 N -3.17 -0.18 0.11 3.99 0.00 0.55 -4.50 107.32 104.11 1r5t s GLY 48 Ca 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.73 1r5t s GLY 48 CO 0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 173.10 172.72 1r5t s ALA 49 N -3.83 0.92 0.40 3.20 0.00 -1.26 -0.85 121.76 120.35 1r5t s ALA 49 Ca 0.05 -1.40 -0.25 0.00 0.00 0.00 0.00 51.96 50.35 1r5t s ALA 49 Cb 0.02 0.43 -0.08 0.00 0.00 0.00 0.00 23.12 23.49 1r5t s ALA 49 CO -0.10 -0.34 1.17 0.54 0.00 0.00 0.00 175.76 177.02 1r5t s ASN 50 N -3.04 6.55 -0.18 0.00 4.22 -1.12 -4.12 114.94 117.24 1r5t s ASN 50 Ca 0.16 2.34 -0.00 0.00 -2.14 0.00 0.00 52.86 53.22 1r5t s ASN 50 Cb 0.07 -2.61 0.04 0.00 1.28 0.00 0.00 41.25 40.03 1r5t s ASN 50 CO -0.03 -0.66 -0.07 -0.69 -2.04 0.00 0.00 177.10 173.62 1r5t s VAL 51 N -1.41 1.27 0.57 3.54 1.01 0.33 -1.03 120.40 124.68 1r5t s VAL 51 Ca 0.57 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.82 1r5t s VAL 51 Cb -0.31 -1.43 0.06 0.00 0.00 0.00 0.00 36.38 34.71 1r5t s VAL 51 CO 0.38 0.12 0.80 -1.61 0.00 0.00 0.00 175.10 174.80 1r5t s GLU 52 N 1.56 2.33 0.06 2.72 2.02 0.76 -0.62 118.70 127.53 1r5t s GLU 52 Ca -0.00 -1.09 -0.14 0.00 0.02 0.00 0.00 54.97 53.76 1r5t s GLU 52 Cb -0.16 -2.52 0.02 0.00 0.10 0.00 0.00 34.13 31.57 1r5t s GLU 52 CO -0.08 -0.85 0.31 1.21 0.02 0.00 0.00 175.26 175.88 1r5t s ASN 53 N -4.53 -0.12 0.26 -0.19 3.84 -1.26 -4.89 114.94 108.04 1r5t s ASN 53 Ca 0.60 -0.24 -0.02 0.00 0.21 0.00 0.00 52.86 53.41 1r5t s ASN 53 Cb -0.08 0.37 0.47 0.00 -0.55 0.00 0.00 41.25 41.46 1r5t s ASN 53 CO 0.39 -0.66 1.81 0.00 -2.79 0.00 0.00 177.10 175.85 1r5t h ALA 54 N 3.06 1.28 -1.96 1.71 0.00 -2.00 -3.32 119.26 118.03 1r5t h ALA 54 Ca -0.32 0.04 -0.60 0.00 0.00 0.00 0.00 54.91 54.02 1r5t h ALA 54 Cb 1.21 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.76 1r5t h ALA 54 CO 0.47 0.09 0.54 0.45 0.00 0.00 0.00 179.25 180.80 1r5t s SER 55 N -5.59 6.50 0.44 0.00 0.15 -1.26 -4.91 113.70 109.03 1r5t s SER 55 Ca -0.12 0.13 0.20 0.00 0.70 0.00 0.00 55.95 56.85 1r5t s SER 55 Cb 0.21 -2.44 1.15 0.00 -1.71 0.00 0.00 66.02 63.23 1r5t s SER 55 CO 0.79 -1.00 1.88 1.88 1.20 0.00 0.00 173.24 177.99 1r5t h TYR 56 N 8.99 0.42 -0.18 3.44 0.99 -2.01 -0.28 116.97 128.34 1r5t h TYR 56 Ca -0.24 0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.55 1r5t h TYR 56 Cb 1.08 -0.13 -0.01 0.00 1.00 0.00 0.00 36.73 38.67 1r5t h TYR 56 CO 0.85 0.12 0.13 0.77 -0.00 0.00 0.00 178.16 180.03 1r5t h SER 57 N 0.33 0.00 -0.19 3.88 0.02 -1.91 -2.45 113.55 113.22 1r5t h SER 57 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1r5t h SER 57 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1r5t h SER 57 CO -0.13 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.15 1r5t n ASN 58 N -4.48 1.13 -4.77 3.07 4.13 -0.12 -4.93 115.26 109.30 1r5t n ASN 58 Ca 0.01 -1.91 -0.38 0.00 1.68 0.00 0.00 54.58 53.98 1r5t n ASN 58 Cb 0.26 -0.13 -0.03 0.00 -1.54 0.00 0.00 39.78 38.34 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 -1.41 2.12 0.90 0.00 -1.09 0.21 -5.00 121.20 116.93 1r5t s ILE 60 Ca 0.53 -0.93 -0.11 0.00 -2.23 0.00 0.00 60.65 57.91 1r5t s ILE 60 Cb -0.29 -1.88 0.13 0.00 -1.58 0.00 0.00 42.46 38.85 1r5t s ILE 60 CO 0.36 0.54 1.09 0.00 -1.23 0.00 0.00 174.94 175.70 1r5t h ALA 62 N -1.63 0.95 -0.91 0.00 0.00 -1.84 -1.83 119.26 114.00 1r5t h ALA 62 Ca -0.49 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.21 1r5t h ALA 62 Cb 1.28 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1r5t h ALA 62 CO 0.52 0.62 0.60 0.93 0.00 0.00 0.00 179.25 181.92 1r5t h GLU 63 N 1.07 1.20 -0.03 0.00 3.07 -1.89 -0.22 114.58 117.77 1r5t h GLU 63 Ca 0.23 -0.08 -0.21 0.00 -0.50 0.00 0.00 59.36 58.81 1r5t h GLU 63 Cb 0.30 -0.27 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1r5t h GLU 63 CO -0.01 0.80 -0.86 0.00 -1.40 0.00 0.00 179.01 177.54 1r5t h ARG 64 N 1.24 0.42 -0.47 2.33 3.08 -1.86 -1.61 114.38 117.50 1r5t h ARG 64 Ca 0.33 -0.41 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 1r5t h ARG 64 Cb -0.14 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1r5t h ARG 64 CO -0.07 1.06 -0.04 0.66 -1.07 0.00 0.00 179.97 180.51 1r5t h SER 65 N 0.26 0.79 -0.48 7.04 4.64 -0.90 -0.34 113.55 124.56 1r5t h SER 65 Ca -0.06 -0.21 -0.08 0.00 -0.47 0.00 0.00 61.79 60.97 1r5t h SER 65 Cb 1.47 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 1r5t h SER 65 CO 0.15 0.88 -0.02 0.00 -0.87 0.00 0.00 176.83 176.96 1r5t h ALA 66 N 1.21 0.65 -0.16 5.18 0.00 -0.96 -2.20 119.26 122.97 1r5t h ALA 66 Ca 0.14 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1r5t h ALA 66 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1r5t h ALA 66 CO 0.03 0.47 -0.37 0.52 0.00 0.00 0.00 179.25 179.89 1r5t h MET 67 N 0.71 0.33 -0.49 0.00 2.07 -0.96 -1.99 114.93 114.60 1r5t h MET 67 Ca 0.13 -0.15 -0.02 0.00 -2.07 0.00 0.00 59.70 57.59 1r5t h MET 67 Cb 0.54 -0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.24 1r5t h MET 67 CO 0.03 0.66 0.23 0.82 1.07 0.00 0.00 176.91 179.72 1r5t h ILE 68 N 0.28 1.19 -0.51 -1.22 1.08 -0.87 -0.19 117.51 117.27 1r5t h ILE 68 Ca 0.03 -0.56 0.04 0.00 -0.39 0.00 0.00 64.86 63.99 1r5t h ILE 68 Cb 0.79 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 35.15 1r5t h ILE 68 CO 0.06 0.22 0.26 1.56 -0.69 0.00 0.00 178.15 179.56 1r5t h GLN 69 N 0.65 0.49 0.30 2.37 1.08 -1.05 0.44 115.11 119.39 1r5t h GLN 69 Ca 0.17 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1r5t h GLN 69 Cb 0.13 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1r5t h GLN 69 CO -0.02 0.33 -0.14 0.28 -0.95 0.00 0.00 178.83 178.32 1r5t h VAL 70 N 0.51 0.73 -0.76 -0.54 2.07 -0.92 -2.78 116.25 114.56 1r5t h VAL 70 Ca 0.23 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.56 1r5t h VAL 70 Cb 0.13 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1r5t h VAL 70 CO -0.16 0.04 0.50 -0.07 0.02 0.00 0.00 177.57 177.90 1r5t h LEU 71 N -0.50 0.84 -0.58 2.57 3.38 -0.82 -1.57 115.31 118.62 1r5t h LEU 71 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1r5t h LEU 71 Cb 0.38 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1r5t h LEU 71 CO 0.07 0.60 0.00 0.23 0.09 0.00 0.00 178.44 179.43 1r5t n MET 72 N -4.58 0.14 0.00 1.13 2.81 0.12 -0.64 117.12 116.11 1r5t n MET 72 Ca 0.08 0.41 0.13 0.00 -1.81 0.00 0.00 57.70 56.51 1r5t n MET 72 Cb 0.05 -1.78 0.42 0.00 -0.71 0.00 0.00 33.22 31.19 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 -1.70 2.57 -0.67 3.04 0.00 -0.61 -4.94 120.51 118.20 1r5t n ALA 73 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1r5t n ALA 73 Cb 0.19 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.22 0.60 3.30 0.00 0.00 0.19 -5.02 105.19 105.48 1r5t n GLY 74 Ca 0.18 -0.63 -0.45 0.00 0.00 0.00 0.00 46.02 45.12 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 3.81 -2.22 1.61 3.76 -1.08 -4.89 115.29 114.28 1r5t s HIS 75 Ca 0.00 -2.21 0.19 0.00 -0.15 0.00 0.00 55.06 52.89 1r5t s HIS 75 Cb 0.00 -3.74 0.55 0.00 1.11 0.00 0.00 32.58 30.50 1r5t s HIS 75 CO 0.00 -0.96 1.44 0.54 -0.85 0.00 0.00 174.74 174.91 1r5t n ARG 76 N 3.67 2.03 -3.56 1.40 1.74 -1.26 -4.21 116.66 116.46 1r5t n ARG 76 Ca 0.15 -1.57 -0.08 0.00 -0.77 0.00 0.00 57.85 55.58 1r5t n ARG 76 Cb 0.45 -1.41 -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 -1.34 -0.37 -0.22 0.55 1.04 -1.26 -4.96 113.70 107.14 1r5t s SER 77 Ca 0.33 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1r5t s SER 77 Cb 0.18 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1r5t s SER 77 CO 0.26 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.26 1r5t n GLY 78 N -0.34 0.56 3.66 7.32 0.00 -1.26 -4.69 105.19 110.43 1r5t n GLY 78 Ca -0.10 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 1r5t n GLY 78 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1r5t n TRP 79 N -2.89 1.49 -0.09 1.61 8.01 -1.26 -3.13 117.44 121.18 1r5t n TRP 79 Ca -0.02 0.48 -0.13 0.00 -1.31 0.00 0.00 57.50 56.52 1r5t n TRP 79 Cb 0.09 -2.26 -0.14 0.00 -2.01 0.00 0.00 31.31 26.99 1r5t n TRP 79 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1r5t n LYS 80 N -0.44 0.68 -3.49 -0.99 5.02 0.12 -4.85 118.16 114.20 1r5t n LYS 80 Ca 0.10 0.09 -0.09 0.00 -2.02 0.00 0.00 58.31 56.40 1r5t n LYS 80 Cb 0.43 -1.56 -0.02 0.00 -0.02 0.00 0.00 35.03 33.85 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 -3.19 0.21 -0.06 0.00 1.75 -1.02 -1.21 119.30 115.79 1r5t s MET 82 Ca 0.04 -0.09 0.04 0.00 -1.25 0.00 0.00 55.69 54.44 1r5t s MET 82 Cb -0.01 -0.22 0.00 0.00 2.84 0.00 0.00 34.83 37.45 1r5t s MET 82 CO -0.09 0.05 -0.17 0.08 -0.65 0.00 0.00 175.02 174.23 1r5t s VAL 83 N -0.01 1.48 -0.07 10.11 1.01 -0.12 -0.11 120.40 132.68 1r5t s VAL 83 Ca 0.01 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.32 1r5t s VAL 83 Cb -0.02 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1r5t s VAL 83 CO -0.00 0.43 -0.24 -0.63 0.00 0.00 0.00 175.10 174.65 1r5t s ILE 84 N 0.23 2.03 -0.01 2.22 1.01 0.27 -1.31 121.20 125.63 1r5t s ILE 84 Ca -0.09 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.53 1r5t s ILE 84 Cb -0.14 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.63 1r5t s ILE 84 CO 0.04 0.56 0.00 0.00 0.00 0.00 0.00 174.94 175.54 1r5t s GLY 86 N 0.51 2.04 -0.70 0.00 0.00 -1.26 0.12 107.32 108.02 1r5t s GLY 86 Ca -0.04 -1.90 -0.06 0.00 0.00 0.00 0.00 44.72 42.71 1r5t s GLY 86 CO -0.01 -1.47 2.73 1.22 0.00 0.00 0.00 173.10 175.57 1r5t n ASP 87 N -1.08 5.65 -4.13 1.64 10.43 -0.12 -3.11 116.55 125.84 1r5t n ASP 87 Ca 0.05 -2.37 -0.35 0.00 2.57 0.00 0.00 54.79 54.69 1r5t n ASP 87 Cb 0.64 -1.24 -0.13 0.00 1.84 0.00 0.00 41.12 42.24 1r5t n ASP 87 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1r5t s SER 88 N 2.52 5.11 0.03 -2.24 0.01 -1.26 -4.92 113.70 112.95 1r5t s SER 88 Ca 0.54 -1.83 -0.06 0.00 1.31 0.00 0.00 55.95 55.92 1r5t s SER 88 Cb 0.19 -1.78 -0.01 0.00 0.21 0.00 0.00 66.02 64.63 1r5t s SER 88 CO -0.03 -0.45 0.98 -0.62 0.41 0.00 0.00 173.24 173.54 1r5t n GLU 89 N 4.57 -0.08 -0.01 12.44 -0.58 -1.26 -1.54 120.64 134.18 1r5t n GLU 89 Ca -0.05 0.98 -0.00 0.00 -0.42 0.00 0.00 57.16 57.66 1r5t n GLU 89 Cb 0.42 -1.45 -0.00 0.00 -0.57 0.00 0.00 31.44 29.83 1r5t n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1r5t n ASP 90 N -3.36 0.12 -4.74 1.62 8.00 -1.26 -4.32 116.55 112.61 1r5t n ASP 90 Ca 0.00 0.10 -0.38 0.00 0.71 0.00 0.00 54.79 55.23 1r5t n ASP 90 Cb 0.05 -0.52 0.05 0.00 -0.02 0.00 0.00 41.12 40.68 1r5t n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r5t s GLN 91 N -1.11 2.96 0.05 -1.24 -2.07 -1.26 -4.74 119.66 112.25 1r5t s GLN 91 Ca -0.02 2.11 -0.30 0.00 -1.82 0.00 0.00 55.36 55.33 1r5t s GLN 91 Cb 0.00 -2.09 -0.05 0.00 -1.09 0.00 0.00 33.01 29.78 1r5t s GLN 91 CO 0.02 -1.30 1.15 0.00 -1.32 0.00 0.00 175.29 173.85 1r5t s VAL 93 N 1.01 2.77 0.04 0.00 1.01 -1.06 -4.93 120.40 119.24 1r5t s VAL 93 Ca 0.57 0.59 0.03 0.00 0.00 0.00 0.00 61.98 63.17 1r5t s VAL 93 Cb -0.28 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1r5t s VAL 93 CO 0.29 0.06 0.01 -0.55 0.00 0.00 0.00 175.10 174.91 1r5t s SER 94 N 0.85 5.12 0.25 3.32 0.15 -1.26 -4.52 113.70 117.60 1r5t s SER 94 Ca 0.65 -0.06 -0.30 0.00 0.70 0.00 0.00 55.95 56.94 1r5t s SER 94 Cb -0.42 -1.30 -0.09 0.00 -1.71 0.00 0.00 66.02 62.50 1r5t s SER 94 CO 0.35 0.24 1.22 -2.84 1.20 0.00 0.00 173.24 173.41 1r5t s PRO 95 N -1.87 4.47 0.88 5.44 0.02 -1.26 -5.02 135.00 137.66 1r5t s PRO 95 Ca 0.22 1.98 -0.12 0.00 0.02 0.00 0.00 61.00 63.10 1r5t s PRO 95 Cb -0.12 -3.18 0.12 0.00 0.02 0.00 0.00 34.50 31.35 1r5t s PRO 95 CO 0.14 -0.07 1.14 0.00 -0.33 0.00 0.00 177.00 177.88 1r5t h GLY 97 N -1.37 0.72 1.00 0.00 0.00 -1.98 -1.53 103.07 99.91 1r5t h GLY 97 Ca -0.49 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1r5t h GLY 97 CO 0.63 0.27 0.19 -2.08 0.00 0.00 0.00 176.54 175.55 1r5t h VAL 98 N 0.70 1.08 -0.18 4.60 2.07 -2.00 -1.81 116.25 120.71 1r5t h VAL 98 Ca 0.19 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 67.43 1r5t h VAL 98 Cb -0.07 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1r5t h VAL 98 CO -0.04 0.08 -0.41 0.00 0.02 0.00 0.00 177.57 177.22 1r5t h ARG 100 N 0.35 1.10 -0.33 0.00 3.08 -0.97 0.32 114.38 117.93 1r5t h ARG 100 Ca 0.03 -0.23 -0.11 0.00 0.07 0.00 0.00 59.98 59.74 1r5t h ARG 100 Cb 0.87 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1r5t h ARG 100 CO 0.07 0.94 -0.25 0.37 -1.07 0.00 0.00 179.97 180.04 1r5t h GLN 101 N 1.05 0.65 -0.09 0.04 5.75 -1.19 -0.63 115.11 120.68 1r5t h GLN 101 Ca 0.23 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1r5t h GLN 101 Cb 0.31 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.83 1r5t h GLN 101 CO -0.01 0.83 -0.04 0.35 -2.65 0.00 0.00 178.83 177.32 1r5t h PHE 102 N 0.57 0.21 -0.51 3.99 3.57 -0.89 -3.17 116.94 120.71 1r5t h PHE 102 Ca 0.08 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1r5t h PHE 102 Cb 0.72 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 1r5t h PHE 102 CO 0.03 0.53 0.33 0.82 -2.23 0.00 0.00 178.31 177.80 1r5t h ILE 103 N -0.18 1.13 -0.34 1.41 2.04 -0.86 -2.61 117.51 118.11 1r5t h ILE 103 Ca 0.02 -0.25 0.10 0.00 1.00 0.00 0.00 64.86 65.73 1r5t h ILE 103 Cb 0.47 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1r5t h ILE 103 CO 0.01 0.13 0.39 -1.13 0.00 0.00 0.00 178.15 177.55 1r5t h ASN 104 N 0.69 0.00 0.72 1.72 -1.24 -1.09 -0.25 115.58 116.13 1r5t h ASN 104 Ca 0.19 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.16 1r5t h ASN 104 Cb -0.07 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 1r5t h ASN 104 CO -0.04 0.00 -0.18 -0.08 -1.29 0.00 0.00 177.43 175.84 1r5t h GLU 105 N 0.00 0.00 0.00 6.67 4.57 -1.44 -3.35 114.58 121.04 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 0.95 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 1r5t h GLU 105 CO -0.00 0.18 -0.31 1.19 -1.18 0.00 0.00 179.01 178.89 1r5t n PHE 106 N -3.45 0.00 -4.29 0.92 3.01 -0.12 -5.08 117.46 108.44 1r5t n PHE 106 Ca -0.01 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.21 1r5t n PHE 106 Cb 0.36 -0.01 -0.08 0.00 -0.01 0.00 0.00 39.48 39.73 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 -1.40 2.58 0.73 -4.37 -7.23 -1.08 -4.47 120.40 105.15 1r5t s VAL 107 Ca 0.00 -1.89 -0.09 0.00 -1.81 0.00 0.00 61.98 58.19 1r5t s VAL 107 Cb 0.02 -2.87 0.05 0.00 0.56 0.00 0.00 36.38 34.14 1r5t s VAL 107 CO 0.09 -0.15 1.08 0.68 -0.31 0.00 0.00 175.10 176.49 1r5t s VAL 108 N -2.53 2.57 0.43 1.32 -7.23 -1.26 -4.88 120.40 108.81 1r5t s VAL 108 Ca 0.36 0.01 0.13 0.00 -1.81 0.00 0.00 61.98 60.67 1r5t s VAL 108 Cb 0.01 -3.15 0.18 0.00 0.56 0.00 0.00 36.38 33.98 1r5t s VAL 108 CO 0.20 -0.18 1.98 0.11 -0.31 0.00 0.00 175.10 176.90 1r5t h LYS 109 N -0.73 0.09 -0.00 4.82 1.57 -1.97 -2.45 116.57 117.90 1r5t h LYS 109 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1r5t h LYS 109 Cb 1.30 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1r5t h LYS 109 CO 0.63 0.24 -0.00 -0.25 -0.57 0.00 0.00 179.45 179.50 1r5t n ASP 110 N -4.32 0.03 -4.68 0.86 9.92 -1.26 -1.33 116.55 115.78 1r5t n ASP 110 Ca -0.02 -0.95 -0.48 0.00 -0.53 0.00 0.00 54.79 52.81 1r5t n ASP 110 Cb 0.24 -0.02 -0.05 0.00 -0.64 0.00 0.00 41.12 40.65 1r5t n ASP 110 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1r5t n PHE 111 N -1.00 2.33 -2.65 1.24 7.35 -0.92 -4.73 117.46 119.08 1r5t n PHE 111 Ca 0.23 -0.02 -0.42 0.00 -0.76 0.00 0.00 57.45 56.49 1r5t n PHE 111 Cb 0.12 -2.67 -0.04 0.00 0.35 0.00 0.00 39.48 37.25 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 4.17 4.60 -0.23 -7.13 0.04 -1.26 -0.63 135.00 134.54 1r5t s PRO 112 Ca 0.93 1.52 0.02 0.00 0.04 0.00 0.00 61.00 63.51 1r5t s PRO 112 Cb -0.69 -3.39 0.04 0.00 0.04 0.00 0.00 34.50 30.51 1r5t s PRO 112 CO 0.51 0.03 -0.13 0.42 0.04 0.00 0.00 177.00 177.87 1r5t s ILE 113 N 0.49 2.22 -0.22 0.56 -1.09 0.11 -2.43 121.20 120.83 1r5t s ILE 113 Ca 0.51 -1.33 -0.11 0.00 -2.23 0.00 0.00 60.65 57.49 1r5t s ILE 113 Cb -0.24 -2.16 -0.05 0.00 -1.58 0.00 0.00 42.46 38.43 1r5t s ILE 113 CO 0.30 0.19 0.17 -0.69 -1.23 0.00 0.00 174.94 173.68 1r5t s VAL 114 N 1.19 5.37 -0.23 2.92 1.01 0.85 -2.00 120.40 129.50 1r5t s VAL 114 Ca -0.03 0.22 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 1r5t s VAL 114 Cb -0.17 -3.51 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 1r5t s VAL 114 CO -0.08 0.37 -0.02 -0.04 0.00 0.00 0.00 175.10 175.33 1r5t s MET 115 N 0.83 3.31 0.25 2.72 -1.94 -0.27 -0.57 119.30 123.64 1r5t s MET 115 Ca 0.09 -0.67 0.07 0.00 -1.71 0.00 0.00 55.69 53.46 1r5t s MET 115 Cb -0.13 -3.08 -0.04 0.00 2.01 0.00 0.00 34.83 33.60 1r5t s MET 115 CO 0.03 -0.25 0.20 -0.51 -0.01 0.00 0.00 175.02 174.48 1r5t s LEU 116 N 1.48 3.84 0.67 -0.03 1.43 0.24 -1.53 118.68 124.78 1r5t s LEU 116 Ca 0.05 -0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 52.87 1r5t s LEU 116 Cb -0.15 -2.37 0.06 0.00 0.03 0.00 0.00 46.19 43.76 1r5t s LEU 116 CO -0.02 -0.04 0.97 0.54 0.23 0.00 0.00 176.35 178.03 1r5t s ASN 117 N -3.83 4.89 0.57 2.29 4.22 -1.16 -2.58 114.94 119.35 1r5t s ASN 117 Ca 0.33 0.34 0.29 0.00 -2.14 0.00 0.00 52.86 51.68 1r5t s ASN 117 Cb -0.08 -1.03 1.46 0.00 1.28 0.00 0.00 41.25 42.88 1r5t s ASN 117 CO 0.25 -1.51 1.89 0.77 -2.04 0.00 0.00 177.10 176.46 1r5t h SER 118 N -0.46 0.00 0.08 3.54 4.64 -1.22 -1.76 113.55 118.37 1r5t h SER 118 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1r5t h SER 118 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1r5t h SER 118 CO 0.58 0.00 -1.57 0.35 -0.87 0.00 0.00 176.83 175.32 1r5t n THR 119 N -3.90 0.04 -1.28 2.95 -2.24 -1.26 -4.89 114.28 103.70 1r5t n THR 119 Ca 0.11 -0.33 -0.02 0.00 -2.27 0.00 0.00 64.05 61.55 1r5t n THR 119 Cb 0.75 0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 69.28 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 1.34 0.46 0.13 3.38 0.00 -0.66 -4.91 105.19 104.92 1r5t n GLY 120 Ca -0.01 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.69 1.61 4.64 -1.94 -3.47 113.55 109.70 1r5t h SER 121 Ca -0.03 -0.03 -0.21 0.00 -0.47 0.00 0.00 61.79 61.04 1r5t h SER 121 Cb 0.32 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.26 1r5t h SER 121 CO 0.05 0.01 -0.70 -0.13 -0.87 0.00 0.00 176.83 175.20 1r5t s ARG 122 N -3.31 0.79 0.24 4.77 0.52 -1.26 -5.08 118.95 115.62 1r5t s ARG 122 Ca 0.02 -1.28 -0.15 0.00 -0.52 0.00 0.00 55.73 53.80 1r5t s ARG 122 Cb 0.09 -0.16 0.01 0.00 0.52 0.00 0.00 34.95 35.41 1r5t s ARG 122 CO 0.76 -0.02 0.53 -1.54 0.02 0.00 0.00 175.30 175.04 1r5t s SER 123 N -2.93 -0.15 -0.09 0.23 1.04 -1.26 -2.96 113.70 107.58 1r5t s SER 123 Ca 0.10 -0.78 -0.05 0.00 0.48 0.00 0.00 55.95 55.70 1r5t s SER 123 Cb 0.05 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.82 1r5t s SER 123 CO -0.05 -1.16 0.21 -0.54 0.98 0.00 0.00 173.24 172.68 1r5t s LYS 124 N -3.97 0.17 -0.10 4.02 1.02 -0.58 -4.98 119.74 115.32 1r5t s LYS 124 Ca 0.17 0.44 -0.01 0.00 0.02 0.00 0.00 55.97 56.60 1r5t s LYS 124 Cb -0.02 -0.11 -0.03 0.00 -0.52 0.00 0.00 37.83 37.16 1r5t s LYS 124 CO 0.06 -0.14 -0.06 0.08 -0.92 0.00 0.00 175.35 174.36 1r5t s VAL 125 N 1.07 3.70 0.01 3.17 1.01 -1.26 -1.12 120.40 126.98 1r5t s VAL 125 Ca -0.08 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 1r5t s VAL 125 Cb -0.09 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 1r5t s VAL 125 CO -0.06 0.56 0.07 -0.04 0.00 0.00 0.00 175.10 175.62 1r5t s MET 126 N -0.29 0.40 0.39 2.72 -1.94 -0.85 -4.99 119.30 114.74 1r5t s MET 126 Ca 0.04 -0.45 -0.00 0.00 -1.71 0.00 0.00 55.69 53.56 1r5t s MET 126 Cb -0.13 0.16 -0.03 0.00 2.01 0.00 0.00 34.83 36.84 1r5t s MET 126 CO 0.02 -0.08 0.61 0.95 -0.01 0.00 0.00 175.02 176.51 1r5t s THR 127 N -1.34 4.84 0.23 2.05 -4.23 -1.26 0.09 115.64 116.02 1r5t s THR 127 Ca -0.14 -0.38 -0.06 0.00 -1.18 0.00 0.00 61.69 59.93 1r5t s THR 127 Cb -0.08 -3.78 0.19 0.00 1.34 0.00 0.00 72.50 70.17 1r5t s THR 127 CO 0.00 -0.55 1.78 -0.03 -0.54 0.00 0.00 174.62 175.29 1r5t h MET 128 N 0.60 0.63 -0.57 3.99 4.05 -0.76 -0.94 114.93 121.93 1r5t h MET 128 Ca -0.49 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 58.90 1r5t h MET 128 Cb 1.22 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.86 1r5t h MET 128 CO 0.60 0.41 0.35 0.78 0.23 0.00 0.00 176.91 179.29 1r5t h GLY 129 N 0.64 0.81 1.77 1.39 0.00 -1.49 -0.79 103.07 105.39 1r5t h GLY 129 Ca 0.38 -0.31 -0.20 0.00 0.00 0.00 0.00 47.33 47.19 1r5t h GLY 129 CO -0.28 0.31 -0.89 0.83 0.00 0.00 0.00 176.54 176.51 1r5t h GLU 130 N 0.77 0.20 0.00 4.80 5.08 -1.52 -3.04 114.58 120.88 1r5t h GLU 130 Ca 0.21 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1r5t h GLU 130 Cb -0.05 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1r5t h GLU 130 CO -0.04 0.97 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.68 1r5t h LEU 131 N 0.11 0.00 -5.80 1.33 3.38 -0.62 -3.39 115.31 110.32 1r5t h LEU 131 Ca -0.05 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.46 1r5t h LEU 131 Cb 1.53 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.96 1r5t h LEU 131 CO 0.14 0.00 -0.91 -0.11 0.09 0.00 0.00 178.44 177.65 1r5t n LEU 132 N -3.02 -0.85 -4.75 1.67 7.94 -0.36 -5.06 117.00 112.57 1r5t n LEU 132 Ca 0.03 -4.22 -0.37 0.00 -1.11 0.00 0.00 56.01 50.34 1r5t n LEU 132 Cb 0.54 0.67 0.04 0.00 0.53 0.00 0.00 43.42 45.19 1r5t n LEU 132 CO 0.35 2.00 0.91 -2.84 -1.11 0.00 0.00 177.39 176.70 1r5t s PRO 133 N -0.40 3.05 -1.35 1.96 0.02 -1.15 -3.45 135.00 133.68 1r5t s PRO 133 Ca 0.34 2.02 -0.13 0.00 0.02 0.00 0.00 61.00 63.25 1r5t s PRO 133 Cb 0.14 -2.10 0.01 0.00 0.02 0.00 0.00 34.50 32.58 1r5t s PRO 133 CO -0.15 -1.20 0.43 -0.12 -0.33 0.00 0.00 177.00 175.64 1r5t n MET 134 N -1.30 -1.41 -2.31 5.54 0.00 -1.26 -4.85 117.12 111.53 1r5t n MET 134 Ca 0.12 0.23 -0.40 0.00 0.00 0.00 0.00 57.70 57.64 1r5t n MET 134 Cb 0.47 -3.62 -0.03 0.00 0.00 0.00 0.00 33.22 30.04 1r5t n MET 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1r5t s ALA 135 N -3.88 3.43 -0.07 -5.12 0.00 -1.22 -4.97 121.76 109.92 1r5t s ALA 135 Ca 0.22 1.06 -0.30 0.00 0.00 0.00 0.00 51.96 52.94 1r5t s ALA 135 Cb -0.11 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 1r5t s ALA 135 CO 0.94 -0.39 1.72 0.12 0.00 0.00 0.00 175.76 178.15 1r5t s PHE 136 N -1.17 1.85 0.17 0.00 5.36 -1.26 -4.97 117.98 117.97 1r5t s PHE 136 Ca 0.47 0.16 0.03 0.00 -0.96 0.00 0.00 56.93 56.63 1r5t s PHE 136 Cb -0.35 -3.97 -0.01 0.00 -0.34 0.00 0.00 43.02 38.34 1r5t s PHE 136 CO 0.46 -3.99 0.09 0.41 -1.46 0.00 0.00 175.22 170.74 1r5t n GLY 137 N 4.34 3.63 0.35 13.12 0.00 -1.26 -5.03 105.19 120.34 1r5t n GLY 137 Ca 0.18 -1.91 0.03 0.00 0.00 0.00 0.00 46.02 44.33 1r5t n GLY 137 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1r5t h PRO 138 N 0.00 0.84 -0.96 1.61 0.11 -1.99 -1.99 132.00 129.62 1r5t h PRO 138 Ca -0.13 -0.05 0.28 0.00 0.11 0.00 0.00 66.00 66.21 1r5t h PRO 138 Cb 0.55 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.43 1r5t h PRO 138 CO 0.20 0.56 0.69 0.66 -0.21 0.00 0.00 178.00 179.89 1r5t h SER 139 N 0.87 0.01 1.16 -2.05 4.64 -1.97 0.98 113.55 117.18 1r5t h SER 139 Ca 0.28 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.52 1r5t h SER 139 Cb 0.05 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1r5t h SER 139 CO -0.08 0.00 -0.43 -0.74 -0.87 0.00 0.00 176.83 174.72 1r5t h HIS 140 N 0.01 0.00 -0.03 4.77 6.17 -1.76 -3.55 115.15 120.75 1r5t h HIS 140 Ca 0.46 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.54 1r5t h HIS 140 Cb 1.82 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.75 1r5t h HIS 140 CO -0.00 0.43 0.00 1.28 0.71 0.00 0.00 177.93 180.35