#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r5t n LYS 2 N 0.00 0.05 -4.00 0.03 5.02 -1.26 -5.04 118.16 112.96 1r5t n LYS 2 Ca 0.00 0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 1r5t n LYS 2 Cb 0.00 -0.69 -0.17 0.00 -0.02 0.00 0.00 35.03 34.16 1r5t n LYS 2 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r5t s VAL 3 N -2.04 1.47 0.25 -0.18 1.01 -1.26 -5.03 120.40 114.62 1r5t s VAL 3 Ca -0.03 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 1r5t s VAL 3 Cb 0.01 -1.40 -0.10 0.00 0.00 0.00 0.00 36.38 34.88 1r5t s VAL 3 CO 0.04 0.43 1.51 -0.83 0.00 0.00 0.00 175.10 176.25 1r5t s GLY 4 N 1.53 2.13 0.00 4.51 0.00 -1.26 -2.41 107.32 111.82 1r5t s GLY 4 Ca 0.05 1.41 0.00 0.00 0.00 0.00 0.00 44.72 46.18 1r5t s GLY 4 CO -0.10 2.43 0.00 0.61 0.00 0.00 0.00 173.10 176.03 1r5t n GLY 5 N 2.44 1.65 3.21 0.20 0.00 -1.26 -5.02 105.19 106.42 1r5t n GLY 5 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.82 2.29 0.59 -0.61 -1.09 -1.01 -5.10 121.20 113.45 1r5t s ILE 6 Ca 0.00 -0.90 -0.19 0.00 -2.23 0.00 0.00 60.65 57.33 1r5t s ILE 6 Cb 0.00 -1.93 -0.04 0.00 -1.58 0.00 0.00 42.46 38.91 1r5t s ILE 6 CO 0.00 0.54 1.20 -1.61 -1.23 0.00 0.00 174.94 173.83 1r5t s GLU 7 N 0.78 3.02 0.39 2.79 2.02 -1.26 -4.69 118.70 121.75 1r5t s GLU 7 Ca -0.07 1.80 0.06 0.00 0.02 0.00 0.00 54.97 56.78 1r5t s GLU 7 Cb -0.16 -1.94 0.80 0.00 0.10 0.00 0.00 34.13 32.93 1r5t s GLU 7 CO -0.01 -1.16 2.03 -0.44 0.02 0.00 0.00 175.26 175.71 1r5t h ASP 8 N 0.92 0.51 -0.05 -0.19 5.19 -1.99 -2.03 116.42 118.78 1r5t h ASP 8 Ca -0.50 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 55.86 1r5t h ASP 8 Cb 1.29 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.67 1r5t h ASP 8 CO 0.55 0.39 -0.04 0.03 -3.12 0.00 0.00 179.24 177.05 1r5t h ARG 9 N 0.59 0.12 0.07 3.56 3.08 -1.99 -1.92 114.38 117.89 1r5t h ARG 9 Ca 0.16 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.17 1r5t h ARG 9 Cb -0.02 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 1r5t h ARG 9 CO -0.03 0.56 -0.36 1.96 -1.07 0.00 0.00 179.97 181.03 1r5t h GLN 10 N -0.32 -0.54 -0.16 0.04 4.20 -1.88 -0.42 115.11 116.04 1r5t h GLN 10 Ca 0.01 0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.81 1r5t h GLN 10 Cb 0.53 0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.38 1r5t h GLN 10 CO 0.01 -0.36 -0.24 1.25 -0.67 0.00 0.00 178.83 178.82 1r5t h LEU 11 N -0.56 -0.75 -0.73 1.46 5.85 -1.44 0.16 115.31 119.30 1r5t h LEU 11 Ca 0.04 0.12 0.16 0.00 0.84 0.00 0.00 57.88 59.04 1r5t h LEU 11 Cb 0.61 0.34 -0.11 0.00 0.37 0.00 0.00 40.66 41.87 1r5t h LEU 11 CO -0.24 -0.29 0.17 -0.08 -0.34 0.00 0.00 178.44 177.66 1r5t h GLU 12 N -0.29 0.25 0.00 1.25 4.81 -0.96 0.59 114.58 120.23 1r5t h GLU 12 Ca 0.11 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1r5t h GLU 12 Cb 0.46 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1r5t h GLU 12 CO -0.33 0.17 -0.22 0.00 -0.73 0.00 0.00 179.01 177.90 1r5t h ALA 13 N 1.60 1.60 -0.12 2.92 0.00 0.65 -2.41 119.26 123.50 1r5t h ALA 13 Ca 0.41 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1r5t h ALA 13 Cb 0.69 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1r5t h ALA 13 CO -0.51 0.28 -0.51 -0.07 0.00 0.00 0.00 179.25 178.44 1r5t h LEU 14 N 0.00 0.65 -1.02 0.00 3.38 0.28 -2.42 115.31 116.18 1r5t h LEU 14 Ca -0.00 -0.63 -0.04 0.00 0.09 0.00 0.00 57.88 57.29 1r5t h LEU 14 Cb 0.40 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1r5t h LEU 14 CO 0.03 1.17 0.22 0.11 0.09 0.00 0.00 178.44 180.06 1r5t h LYS 15 N 0.17 0.92 -0.39 1.13 1.57 -0.68 -0.57 116.57 118.72 1r5t h LYS 15 Ca -0.03 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.47 1r5t h LYS 15 Cb 1.15 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1r5t h LYS 15 CO 0.11 0.78 -0.22 0.00 -0.57 0.00 0.00 179.45 179.54 1r5t h ARG 16 N 0.90 0.84 -0.52 3.15 3.08 -1.46 -2.04 114.38 118.33 1r5t h ARG 16 Ca 0.21 -0.38 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 1r5t h ARG 16 Cb 0.22 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1r5t h ARG 16 CO -0.01 1.02 0.03 0.00 -1.07 0.00 0.00 179.97 179.93 1r5t h ALA 17 N 0.80 1.07 -0.31 0.04 0.00 -1.09 -1.26 119.26 118.50 1r5t h ALA 17 Ca 0.08 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1r5t h ALA 17 Cb 0.78 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1r5t h ALA 17 CO 0.06 0.59 -0.15 0.00 0.00 0.00 0.00 179.25 179.75 1r5t h ALA 18 N 1.22 0.43 -0.74 0.00 0.00 -1.01 0.15 119.26 119.31 1r5t h ALA 18 Ca 0.16 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1r5t h ALA 18 Cb 0.44 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1r5t h ALA 18 CO 0.02 0.33 0.24 -0.07 0.00 0.00 0.00 179.25 179.77 1r5t h LEU 19 N 0.41 1.08 -0.52 0.00 4.07 -1.21 -2.82 115.31 116.31 1r5t h LEU 19 Ca 0.07 -0.20 -0.17 0.00 0.08 0.00 0.00 57.88 57.66 1r5t h LEU 19 Cb 0.68 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1r5t h LEU 19 CO 0.05 0.99 -0.65 0.50 -1.08 0.00 0.00 178.44 178.25 1r5t h LYS 20 N 1.11 0.37 -0.04 1.13 3.64 -1.16 -3.05 116.57 118.57 1r5t h LYS 20 Ca 0.24 -0.27 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1r5t h LYS 20 Cb 0.30 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1r5t h LYS 20 CO -0.01 0.89 0.08 0.00 -2.27 0.00 0.00 179.45 178.15 1r5t h ALA 21 N 1.04 1.36 -0.33 5.00 0.00 -0.70 -2.05 119.26 123.58 1r5t h ALA 21 Ca -0.01 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1r5t h ALA 21 Cb 1.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1r5t h ALA 21 CO 0.11 -0.10 0.23 0.00 0.00 0.00 0.00 179.25 179.48 1r5t h GLU 23 N 0.17 0.00 -0.01 0.00 5.08 -1.58 -2.12 114.58 116.12 1r5t h GLU 23 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1r5t h GLU 23 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1r5t h GLU 23 CO -0.02 0.00 -0.17 1.28 -1.00 0.00 0.00 179.01 179.09 1r5t n LEU 24 N -2.34 0.99 -4.77 1.33 4.77 -0.77 -4.94 117.00 111.27 1r5t n LEU 24 Ca 0.01 -0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 55.33 1r5t n LEU 24 Cb 0.19 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 1r5t n LEU 24 CO 0.18 0.18 1.09 -0.55 -1.33 0.00 0.00 177.39 176.96 1r5t s SER 25 N -2.39 6.49 -0.41 -1.43 0.15 -0.80 -4.87 113.70 110.44 1r5t s SER 25 Ca 0.28 2.92 -0.01 0.00 0.70 0.00 0.00 55.95 59.85 1r5t s SER 25 Cb 0.20 -2.66 0.11 0.00 -1.71 0.00 0.00 66.02 61.96 1r5t s SER 25 CO 0.47 -0.76 0.18 -0.47 1.20 0.00 0.00 173.24 173.86 1r5t s TYR 26 N -1.05 3.61 -0.38 3.44 5.04 -0.53 -4.99 117.35 122.50 1r5t s TYR 26 Ca 0.52 -2.65 0.10 0.00 -2.44 0.00 0.00 57.07 52.61 1r5t s TYR 26 Cb -0.44 -3.12 0.31 0.00 0.35 0.00 0.00 41.96 39.06 1r5t s TYR 26 CO 0.59 -0.95 0.67 -1.13 -1.34 0.00 0.00 175.55 173.39 1r5t n SER 27 N 4.35 0.45 0.00 4.32 3.41 -1.26 -0.39 113.62 124.50 1r5t n SER 27 Ca 0.01 -2.92 0.11 0.00 -0.26 0.00 0.00 58.87 55.80 1r5t n SER 27 Cb 0.41 -0.52 0.58 0.00 -0.26 0.00 0.00 64.21 64.42 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 0.71 0.43 -0.12 4.33 -0.04 -1.26 -1.21 135.00 137.83 1r5t n PRO 28 Ca 0.23 0.06 -0.24 0.00 -0.04 0.00 0.00 63.50 63.50 1r5t n PRO 28 Cb 0.61 -1.50 -0.09 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 -1.20 0.00 0.00 0.54 4.02 -1.26 -4.67 117.16 114.59 1r5t n TYR 29 Ca 0.12 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 58.04 1r5t n TYR 29 Cb 0.14 -0.87 -0.11 0.00 -0.02 0.00 0.00 39.34 38.48 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 -3.95 0.43 0.00 7.72 3.41 -1.25 -4.95 113.62 115.03 1r5t n SER 30 Ca -0.47 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 1r5t n SER 30 Cb 0.85 0.92 0.00 0.00 -0.26 0.00 0.00 64.21 65.72 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 -2.64 0.00 -3.29 7.33 8.25 -0.35 -4.95 115.22 119.56 1r5t n HIS 31 Ca -0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.93 1r5t n HIS 31 Cb 0.78 -1.14 -0.08 0.00 1.12 0.00 0.00 29.99 30.67 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 -1.53 3.17 0.00 4.41 5.36 -1.26 -5.04 117.98 123.09 1r5t s PHE 32 Ca 0.00 -0.07 -0.14 0.00 -0.96 0.00 0.00 56.93 55.77 1r5t s PHE 32 Cb 0.00 -2.89 -0.06 0.00 -0.34 0.00 0.00 43.02 39.73 1r5t s PHE 32 CO 0.00 -0.59 0.40 1.03 -1.46 0.00 0.00 175.22 174.59 1r5t s ARG 33 N 2.26 3.87 -0.01 10.12 0.52 -1.26 -4.89 118.95 129.56 1r5t s ARG 33 Ca 0.15 0.36 0.02 0.00 -0.52 0.00 0.00 55.73 55.74 1r5t s ARG 33 Cb -0.16 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 32.12 1r5t s ARG 33 CO 0.14 0.68 -0.06 0.08 0.02 0.00 0.00 175.30 176.15 1r5t s VAL 34 N -1.12 0.53 0.10 3.52 1.01 -1.26 -1.74 120.40 121.44 1r5t s VAL 34 Ca 0.24 -0.25 0.10 0.00 0.00 0.00 0.00 61.98 62.08 1r5t s VAL 34 Cb -0.16 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 1r5t s VAL 34 CO 0.13 0.17 -0.26 -0.83 0.00 0.00 0.00 175.10 174.32 1r5t s GLY 35 N 0.10 1.46 -0.02 4.51 0.00 0.44 -2.73 107.32 111.07 1r5t s GLY 35 Ca -0.01 -1.36 -0.04 0.00 0.00 0.00 0.00 44.72 43.31 1r5t s GLY 35 CO -0.00 -1.32 0.10 0.00 0.00 0.00 0.00 173.10 171.88 1r5t s SER 37 N -0.48 1.47 -0.03 0.00 1.04 0.29 -0.77 113.70 115.22 1r5t s SER 37 Ca -0.06 -0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.02 1r5t s SER 37 Cb -0.04 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1r5t s SER 37 CO 0.00 0.05 -0.10 -0.63 0.98 0.00 0.00 173.24 173.54 1r5t s ILE 38 N -0.70 0.89 -0.28 -1.02 1.01 0.76 -0.61 121.20 121.25 1r5t s ILE 38 Ca 0.02 -0.42 -0.09 0.00 0.00 0.00 0.00 60.65 60.15 1r5t s ILE 38 Cb -0.07 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 1r5t s ILE 38 CO 0.01 0.27 0.13 -0.22 0.00 0.00 0.00 174.94 175.13 1r5t s LEU 39 N 0.15 3.81 0.87 2.97 2.96 -0.40 -1.15 118.68 127.88 1r5t s LEU 39 Ca -0.03 -0.25 -0.13 0.00 -0.22 0.00 0.00 54.13 53.50 1r5t s LEU 39 Cb -0.09 -2.00 0.13 0.00 0.50 0.00 0.00 46.19 44.73 1r5t s LEU 39 CO 0.01 -0.09 1.22 0.42 -1.32 0.00 0.00 176.35 176.59 1r5t s THR 40 N 1.66 1.99 0.38 3.68 -4.23 0.06 -0.07 115.64 119.11 1r5t s THR 40 Ca 0.06 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.69 1r5t s THR 40 Cb -0.16 -2.98 0.11 0.00 1.34 0.00 0.00 72.50 70.81 1r5t s THR 40 CO 0.06 0.00 1.85 -1.13 -0.54 0.00 0.00 174.62 174.86 1r5t h ASN 41 N -1.30 0.04 0.12 3.99 -0.73 -1.76 -1.34 115.58 114.60 1r5t h ASN 41 Ca -0.46 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 57.70 1r5t h ASN 41 Cb 1.30 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.88 1r5t h ASN 41 CO 0.56 0.37 0.00 -3.20 -0.37 0.00 0.00 177.43 174.79 1r5t n ASN 42 N -4.14 0.00 -0.37 1.15 4.05 -1.26 -4.87 115.26 109.82 1r5t n ASN 42 Ca -0.02 -0.57 -0.05 0.00 0.45 0.00 0.00 54.58 54.39 1r5t n ASN 42 Cb 0.38 -0.08 -0.02 0.00 1.23 0.00 0.00 39.78 41.29 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 -1.08 -3.74 -4.88 1.20 8.00 -0.51 -5.03 116.55 110.52 1r5t n ASP 43 Ca 0.16 0.12 -0.33 0.00 0.71 0.00 0.00 54.79 55.46 1r5t n ASP 43 Cb 0.11 -1.67 -0.05 0.00 -0.02 0.00 0.00 41.12 39.49 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 -2.13 5.02 -0.13 2.53 1.01 -1.26 -4.82 120.40 120.62 1r5t s VAL 44 Ca 0.00 0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 1r5t s VAL 44 Cb 0.00 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1r5t s VAL 44 CO 0.00 0.06 -0.09 -0.63 0.00 0.00 0.00 175.10 174.45 1r5t s ILE 45 N -1.65 3.46 0.14 2.22 1.01 -1.26 -0.76 121.20 124.35 1r5t s ILE 45 Ca 0.42 -0.52 0.11 0.00 0.00 0.00 0.00 60.65 60.65 1r5t s ILE 45 Cb -0.12 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1r5t s ILE 45 CO 0.21 0.52 -0.26 -0.36 0.00 0.00 0.00 174.94 175.05 1r5t s PHE 46 N 0.17 2.32 0.21 3.97 0.40 -0.30 -4.95 117.98 119.79 1r5t s PHE 46 Ca -0.05 -0.37 0.05 0.00 -0.60 0.00 0.00 56.93 55.96 1r5t s PHE 46 Cb -0.14 -1.24 -0.05 0.00 0.51 0.00 0.00 43.02 42.09 1r5t s PHE 46 CO 0.04 0.36 -0.07 0.95 0.70 0.00 0.00 175.22 177.20 1r5t s THR 47 N -1.13 1.29 0.17 0.64 -4.23 -1.26 -0.17 115.64 110.96 1r5t s THR 47 Ca 0.15 -2.09 -0.21 0.00 -1.18 0.00 0.00 61.69 58.36 1r5t s THR 47 Cb -0.10 -2.16 0.05 0.00 1.34 0.00 0.00 72.50 71.64 1r5t s THR 47 CO 0.07 -0.49 0.57 -0.83 -0.54 0.00 0.00 174.62 173.39 1r5t s GLY 48 N -3.29 -0.44 0.07 3.99 0.00 0.05 -4.42 107.32 103.28 1r5t s GLY 48 Ca 0.24 0.23 -0.01 0.00 0.00 0.00 0.00 44.72 45.18 1r5t s GLY 48 CO 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 173.10 173.16 1r5t s ALA 49 N -3.79 0.62 0.48 3.20 0.00 -1.26 -0.86 121.76 120.15 1r5t s ALA 49 Ca 0.03 -1.28 -0.22 0.00 0.00 0.00 0.00 51.96 50.49 1r5t s ALA 49 Cb -0.01 0.43 -0.07 0.00 0.00 0.00 0.00 23.12 23.46 1r5t s ALA 49 CO -0.09 -0.40 1.12 0.54 0.00 0.00 0.00 175.76 176.93 1r5t s ASN 50 N -2.96 6.17 -0.16 0.00 4.22 -1.11 -4.13 114.94 116.97 1r5t s ASN 50 Ca 0.12 2.18 -0.01 0.00 -2.14 0.00 0.00 52.86 53.01 1r5t s ASN 50 Cb 0.08 -2.59 0.04 0.00 1.28 0.00 0.00 41.25 40.06 1r5t s ASN 50 CO -0.07 -0.91 -0.03 -0.69 -2.04 0.00 0.00 177.10 173.36 1r5t s VAL 51 N -1.68 0.92 0.59 3.54 1.01 0.20 -1.45 120.40 123.53 1r5t s VAL 51 Ca 0.66 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 62.11 1r5t s VAL 51 Cb -0.25 -1.17 0.06 0.00 0.00 0.00 0.00 36.38 35.03 1r5t s VAL 51 CO 0.29 0.06 0.82 -1.61 0.00 0.00 0.00 175.10 174.67 1r5t s GLU 52 N 1.71 2.30 0.04 2.72 2.02 0.48 -1.00 118.70 126.97 1r5t s GLU 52 Ca 0.01 -0.99 -0.14 0.00 0.02 0.00 0.00 54.97 53.86 1r5t s GLU 52 Cb -0.15 -2.48 0.02 0.00 0.10 0.00 0.00 34.13 31.62 1r5t s GLU 52 CO -0.07 -0.89 0.32 1.21 0.02 0.00 0.00 175.26 175.84 1r5t s ASN 53 N -4.53 -0.15 0.40 -0.19 3.84 -1.26 -4.89 114.94 108.16 1r5t s ASN 53 Ca 0.60 -0.14 0.12 0.00 0.21 0.00 0.00 52.86 53.66 1r5t s ASN 53 Cb -0.09 0.36 0.94 0.00 -0.55 0.00 0.00 41.25 41.92 1r5t s ASN 53 CO 0.40 -0.60 1.92 0.00 -2.79 0.00 0.00 177.10 176.03 1r5t h ALA 54 N 3.27 1.97 -2.00 1.71 0.00 -2.00 -3.20 119.26 119.01 1r5t h ALA 54 Ca -0.31 -0.00 -0.71 0.00 0.00 0.00 0.00 54.91 53.89 1r5t h ALA 54 Cb 1.20 -0.10 -0.20 0.00 0.00 0.00 0.00 17.79 18.69 1r5t h ALA 54 CO 0.45 -0.15 0.23 0.45 0.00 0.00 0.00 179.25 180.23 1r5t s SER 55 N -6.00 6.31 0.43 0.00 0.15 -1.26 -4.93 113.70 108.40 1r5t s SER 55 Ca -0.09 -1.65 0.28 0.00 0.70 0.00 0.00 55.95 55.20 1r5t s SER 55 Cb 0.21 -2.31 1.41 0.00 -1.71 0.00 0.00 66.02 63.62 1r5t s SER 55 CO 0.77 -1.06 1.61 1.88 1.20 0.00 0.00 173.24 177.64 1r5t h TYR 56 N 8.99 0.58 -0.42 3.44 0.05 -2.00 0.31 116.97 127.92 1r5t h TYR 56 Ca -0.19 0.03 0.12 0.00 0.05 0.00 0.00 58.73 58.74 1r5t h TYR 56 Cb 1.07 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.66 1r5t h TYR 56 CO 0.91 -0.25 0.33 1.03 -1.05 0.00 0.00 178.16 179.13 1r5t h SER 57 N 0.08 0.00 0.15 3.88 0.87 -1.91 -1.94 113.55 114.68 1r5t h SER 57 Ca 0.83 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.39 1r5t h SER 57 Cb 2.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.49 1r5t h SER 57 CO -0.48 0.00 -0.01 0.59 -0.53 0.00 0.00 176.83 176.40 1r5t n ASN 58 N -4.25 0.17 -4.77 6.23 4.13 0.11 -4.93 115.26 111.95 1r5t n ASN 58 Ca 0.07 -0.83 -0.39 0.00 1.68 0.00 0.00 54.58 55.11 1r5t n ASN 58 Cb 0.52 -0.06 0.01 0.00 -1.54 0.00 0.00 39.78 38.70 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 -1.26 1.87 0.91 0.00 1.01 -0.17 -5.01 121.20 118.56 1r5t s ILE 60 Ca 0.60 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 60.20 1r5t s ILE 60 Cb -0.39 -1.77 0.14 0.00 0.01 0.00 0.00 42.46 40.44 1r5t s ILE 60 CO 0.50 0.40 1.10 0.00 0.00 0.00 0.00 174.94 176.94 1r5t h ALA 62 N -1.70 1.46 -0.39 0.00 0.00 -1.84 -1.38 119.26 115.41 1r5t h ALA 62 Ca -0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 1r5t h ALA 62 Cb 1.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1r5t h ALA 62 CO 0.50 0.42 0.21 0.93 0.00 0.00 0.00 179.25 181.31 1r5t h GLU 63 N 0.65 0.54 -0.12 0.00 3.07 -1.90 -0.95 114.58 115.87 1r5t h GLU 63 Ca 0.16 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.84 1r5t h GLU 63 Cb 0.14 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1r5t h GLU 63 CO -0.02 0.44 -0.43 0.00 -1.40 0.00 0.00 179.01 177.61 1r5t h ARG 64 N 0.50 0.29 -0.51 2.33 3.08 -1.82 -1.65 114.38 116.60 1r5t h ARG 64 Ca 0.14 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1r5t h ARG 64 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1r5t h ARG 64 CO -0.02 0.67 0.06 0.77 -1.07 0.00 0.00 179.97 180.38 1r5t h SER 65 N 0.24 0.82 -0.41 7.04 0.02 -0.90 -1.25 113.55 119.12 1r5t h SER 65 Ca 0.02 -0.27 -0.13 0.00 -0.84 0.00 0.00 61.79 60.57 1r5t h SER 65 Cb 0.86 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1r5t h SER 65 CO 0.07 0.89 -0.23 0.00 -1.14 0.00 0.00 176.83 176.42 1r5t h ALA 66 N 0.96 0.75 -0.22 3.77 0.00 -1.03 -2.53 119.26 120.96 1r5t h ALA 66 Ca 0.15 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1r5t h ALA 66 Cb 0.43 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1r5t h ALA 66 CO 0.01 0.66 -0.32 0.52 0.00 0.00 0.00 179.25 180.13 1r5t h MET 67 N 0.79 0.45 -0.54 0.00 2.07 -1.16 -1.47 114.93 115.07 1r5t h MET 67 Ca 0.10 -0.19 -0.04 0.00 -2.07 0.00 0.00 59.70 57.50 1r5t h MET 67 Cb 0.79 -0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 30.48 1r5t h MET 67 CO 0.07 0.72 0.18 0.82 1.07 0.00 0.00 176.91 179.77 1r5t h ILE 68 N 0.39 1.23 0.13 -1.22 1.08 -1.10 -0.07 117.51 117.94 1r5t h ILE 68 Ca 0.05 -0.75 0.01 0.00 -0.39 0.00 0.00 64.86 63.78 1r5t h ILE 68 Cb 0.75 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 35.19 1r5t h ILE 68 CO 0.06 0.28 -0.18 1.56 -0.69 0.00 0.00 178.15 179.18 1r5t h GLN 69 N 0.74 -0.35 0.26 2.37 1.08 -1.12 0.70 115.11 118.79 1r5t h GLN 69 Ca 0.18 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1r5t h GLN 69 Cb 0.25 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1r5t h GLN 69 CO -0.01 -0.23 -0.29 0.28 -0.95 0.00 0.00 178.83 177.63 1r5t h VAL 70 N -0.37 0.39 -0.99 -0.54 2.07 -1.05 -1.53 116.25 114.24 1r5t h VAL 70 Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 1r5t h VAL 70 Cb 0.37 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 1r5t h VAL 70 CO -0.08 0.00 0.64 -0.07 0.02 0.00 0.00 177.57 178.08 1r5t h LEU 71 N -0.59 1.04 -0.34 2.57 3.38 -0.91 -0.08 115.31 120.39 1r5t h LEU 71 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r5t h LEU 71 Cb 0.55 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1r5t h LEU 71 CO -0.08 0.69 0.00 0.23 0.09 0.00 0.00 178.44 179.37 1r5t n MET 72 N -4.49 0.15 0.00 1.13 2.81 0.23 -1.81 117.12 115.14 1r5t n MET 72 Ca 0.14 0.30 0.13 0.00 -1.81 0.00 0.00 57.70 56.47 1r5t n MET 72 Cb 0.14 -1.74 0.38 0.00 -0.71 0.00 0.00 33.22 31.30 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 -1.69 2.84 -0.20 3.04 0.00 -0.07 -4.95 120.51 119.48 1r5t n ALA 73 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1r5t n ALA 73 Cb 0.27 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 1.28 0.68 3.41 0.00 0.00 -0.75 -5.02 105.19 104.79 1r5t n GLY 74 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.29 3.42 -1.06 1.61 3.76 -1.07 -4.85 115.29 114.81 1r5t s HIS 75 Ca 0.00 -1.72 0.27 0.00 -0.15 0.00 0.00 55.06 53.46 1r5t s HIS 75 Cb 0.00 -4.12 1.17 0.00 1.11 0.00 0.00 32.58 30.75 1r5t s HIS 75 CO 0.00 -1.30 1.87 -2.13 -0.85 0.00 0.00 174.74 172.33 1r5t n ARG 76 N 5.45 0.05 -3.18 1.40 3.00 -1.26 -4.20 116.66 117.92 1r5t n ARG 76 Ca 0.22 0.04 0.01 0.00 -0.00 0.00 0.00 57.85 58.12 1r5t n ARG 76 Cb 0.47 -1.50 0.01 0.00 0.00 0.00 0.00 32.46 31.44 1r5t n ARG 76 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1r5t n SER 77 N -1.47 -0.91 -0.43 6.15 3.41 -1.26 -4.95 113.62 114.17 1r5t n SER 77 Ca 0.07 -1.31 -0.05 0.00 -0.26 0.00 0.00 58.87 57.32 1r5t n SER 77 Cb 0.30 1.43 -0.02 0.00 -0.26 0.00 0.00 64.21 65.66 1r5t n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r5t n GLY 78 N -0.56 0.73 3.77 5.00 0.00 -1.26 -4.64 105.19 108.23 1r5t n GLY 78 Ca 0.01 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.20 2.79 -0.15 1.61 0.51 -1.26 -2.63 118.94 117.60 1r5t s TRP 79 Ca 0.00 1.38 -0.06 0.00 -2.12 0.00 0.00 56.10 55.30 1r5t s TRP 79 Cb 0.00 -3.73 -0.24 0.00 -0.81 0.00 0.00 33.47 28.69 1r5t s TRP 79 CO 0.00 -2.23 0.26 1.63 -0.51 0.00 0.00 176.95 176.10 1r5t n LYS 80 N 0.19 0.74 -3.49 4.98 5.02 0.90 -4.87 118.16 121.63 1r5t n LYS 80 Ca 0.03 0.25 -0.11 0.00 -2.02 0.00 0.00 58.31 56.46 1r5t n LYS 80 Cb 0.43 -1.68 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 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 -2.76 0.89 -0.11 0.00 1.75 -0.84 -1.28 119.30 116.95 1r5t s MET 82 Ca 0.00 -0.25 0.03 0.00 -1.25 0.00 0.00 55.69 54.22 1r5t s MET 82 Cb -0.01 -0.84 -0.01 0.00 2.84 0.00 0.00 34.83 36.82 1r5t s MET 82 CO -0.06 0.07 -0.20 0.08 -0.65 0.00 0.00 175.02 174.26 1r5t s VAL 83 N 0.34 2.44 -0.08 10.11 1.01 0.22 -0.13 120.40 134.31 1r5t s VAL 83 Ca -0.05 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1r5t s VAL 83 Cb -0.09 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1r5t s VAL 83 CO 0.00 0.55 -0.19 -0.63 0.00 0.00 0.00 175.10 174.83 1r5t s ILE 84 N 0.31 1.63 -0.01 2.22 1.01 0.61 -0.55 121.20 126.42 1r5t s ILE 84 Ca -0.15 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1r5t s ILE 84 Cb -0.17 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 40.89 1r5t s ILE 84 CO 0.07 0.46 0.02 0.00 0.00 0.00 0.00 174.94 175.49 1r5t s GLY 86 N 0.64 2.85 0.45 0.00 0.00 -1.23 -0.42 107.32 109.61 1r5t s GLY 86 Ca -0.05 -0.77 0.30 0.00 0.00 0.00 0.00 44.72 44.20 1r5t s GLY 86 CO -0.02 -2.06 1.88 -0.55 0.00 0.00 0.00 173.10 172.36 1r5t h ASP 87 N 1.53 0.00 -2.48 1.64 3.45 -1.69 -0.14 116.42 118.73 1r5t h ASP 87 Ca -0.41 0.00 -0.55 0.00 0.43 0.00 0.00 57.03 56.51 1r5t h ASP 87 Cb 1.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.07 1r5t h ASP 87 CO 0.68 0.00 1.18 -0.55 -1.57 0.00 0.00 179.24 178.98 1r5t s SER 88 N -5.22 6.44 -0.09 6.45 0.15 -1.26 -4.43 113.70 115.74 1r5t s SER 88 Ca 0.02 2.29 -0.10 0.00 0.70 0.00 0.00 55.95 58.87 1r5t s SER 88 Cb 0.09 -2.53 -0.28 0.00 -1.71 0.00 0.00 66.02 61.59 1r5t s SER 88 CO 0.50 -1.11 0.51 -0.33 1.20 0.00 0.00 173.24 174.02 1r5t h GLU 89 N 10.58 0.32 0.00 5.44 5.08 -1.93 0.14 114.58 134.20 1r5t h GLU 89 Ca -0.43 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.39 1r5t h GLU 89 Cb 1.20 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1r5t h GLU 89 CO 0.96 1.26 0.00 -0.25 -1.00 0.00 0.00 179.01 179.97 1r5t n ASP 90 N -3.60 0.00 -3.64 1.42 9.92 -1.26 -4.63 116.55 114.76 1r5t n ASP 90 Ca -0.28 -1.28 -0.03 0.00 -0.53 0.00 0.00 54.79 52.67 1r5t n ASP 90 Cb 1.04 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 41.48 1r5t n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r5t s GLN 91 N -2.00 0.11 0.61 -1.24 -2.07 -1.26 -5.15 119.66 108.67 1r5t s GLN 91 Ca 0.08 0.02 -0.18 0.00 -1.82 0.00 0.00 55.36 53.47 1r5t s GLN 91 Cb 0.04 0.05 -0.02 0.00 -1.09 0.00 0.00 33.01 31.99 1r5t s GLN 91 CO 0.06 -0.04 1.18 0.00 -1.32 0.00 0.00 175.29 175.18 1r5t s VAL 93 N -1.80 4.97 0.13 0.00 1.01 -1.05 -4.93 120.40 118.73 1r5t s VAL 93 Ca 0.74 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 62.37 1r5t s VAL 93 Cb -0.27 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 31.90 1r5t s VAL 93 CO 0.35 -0.55 0.46 -0.94 0.00 0.00 0.00 175.10 174.42 1r5t s SER 94 N 2.04 6.68 0.37 3.32 1.04 -1.26 -4.56 113.70 121.33 1r5t s SER 94 Ca 0.16 0.87 -0.28 0.00 0.48 0.00 0.00 55.95 57.18 1r5t s SER 94 Cb -0.17 -2.21 -0.10 0.00 0.10 0.00 0.00 66.02 63.65 1r5t s SER 94 CO 0.15 0.11 1.34 -2.16 0.98 0.00 0.00 173.24 173.66 1r5t s PRO 95 N -2.12 4.16 0.91 4.02 0.04 -1.26 -5.00 135.00 135.74 1r5t s PRO 95 Ca 0.37 2.26 -0.12 0.00 0.04 0.00 0.00 61.00 63.56 1r5t s PRO 95 Cb -0.14 -2.93 0.13 0.00 0.04 0.00 0.00 34.50 31.61 1r5t s PRO 95 CO 0.19 -0.37 1.10 0.00 0.04 0.00 0.00 177.00 177.96 1r5t h GLY 97 N -1.55 0.47 0.93 0.00 0.00 -1.98 -2.15 103.07 98.79 1r5t h GLY 97 Ca -0.51 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 1r5t h GLY 97 CO 0.57 0.09 0.07 -2.08 0.00 0.00 0.00 176.54 175.19 1r5t h VAL 98 N 0.34 1.10 -0.43 4.60 2.07 -2.00 -2.24 116.25 119.69 1r5t h VAL 98 Ca 0.25 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.39 1r5t h VAL 98 Cb 0.54 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1r5t h VAL 98 CO -0.06 0.09 -0.16 0.00 0.02 0.00 0.00 177.57 177.46 1r5t h ARG 100 N 0.72 1.04 -0.27 0.00 3.08 -1.27 0.85 114.38 118.53 1r5t h ARG 100 Ca 0.11 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 1r5t h ARG 100 Cb 0.66 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1r5t h ARG 100 CO 0.05 0.69 -0.18 0.37 -1.07 0.00 0.00 179.97 179.83 1r5t h GLN 101 N 1.07 0.49 0.06 0.04 5.75 -1.24 -1.07 115.11 120.22 1r5t h GLN 101 Ca 0.29 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1r5t h GLN 101 Cb -0.12 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.39 1r5t h GLN 101 CO -0.06 0.65 -0.03 0.35 -2.65 0.00 0.00 178.83 177.08 1r5t h PHE 102 N 0.44 -0.08 -0.96 3.99 3.57 -0.82 -3.21 116.94 119.87 1r5t h PHE 102 Ca 0.08 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.64 1r5t h PHE 102 Cb 0.57 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.27 1r5t h PHE 102 CO 0.02 0.42 0.61 0.82 -2.23 0.00 0.00 178.31 177.95 1r5t h ILE 103 N -0.63 1.06 -0.01 1.41 2.04 -0.80 -1.64 117.51 118.94 1r5t h ILE 103 Ca -0.01 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1r5t h ILE 103 Cb 0.53 -0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1r5t h ILE 103 CO 0.01 0.20 0.06 -1.13 0.00 0.00 0.00 178.15 177.29 1r5t h ASN 104 N 1.10 0.00 1.15 1.72 -0.73 -1.21 -1.25 115.58 116.36 1r5t h ASN 104 Ca 0.42 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.54 1r5t h ASN 104 Cb 0.19 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 1r5t h ASN 104 CO -0.18 0.00 -0.24 -0.08 -0.37 0.00 0.00 177.43 176.56 1r5t h GLU 105 N 0.00 0.00 0.00 6.67 4.57 -1.30 -3.36 114.58 121.16 1r5t h GLU 105 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1r5t h GLU 105 Cb 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1r5t h GLU 105 CO -0.00 0.24 0.00 1.19 -1.18 0.00 0.00 179.01 179.26 1r5t n PHE 106 N -3.31 0.00 -4.43 0.92 3.01 -0.50 -4.89 117.46 108.27 1r5t n PHE 106 Ca 0.01 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.25 1r5t n PHE 106 Cb 0.49 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.86 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 -0.37 2.14 0.68 -4.37 -7.23 -1.05 -4.59 120.40 105.61 1r5t s VAL 107 Ca 0.00 -2.30 -0.11 0.00 -1.81 0.00 0.00 61.98 57.76 1r5t s VAL 107 Cb 0.00 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.67 1r5t s VAL 107 CO 0.00 -0.43 1.06 0.68 -0.31 0.00 0.00 175.10 176.10 1r5t s VAL 108 N -2.71 4.05 0.51 1.32 -7.23 -1.26 -4.86 120.40 110.22 1r5t s VAL 108 Ca 0.28 0.69 0.24 0.00 -1.81 0.00 0.00 61.98 61.38 1r5t s VAL 108 Cb -0.02 -3.43 0.39 0.00 0.56 0.00 0.00 36.38 33.89 1r5t s VAL 108 CO 0.12 -0.85 1.98 0.11 -0.31 0.00 0.00 175.10 176.15 1r5t h LYS 109 N -0.60 0.07 -0.29 4.82 1.79 -1.97 -1.55 116.57 118.83 1r5t h LYS 109 Ca -0.44 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1r5t h LYS 109 Cb 1.21 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1r5t h LYS 109 CO 0.57 0.04 0.00 -0.25 -1.08 0.00 0.00 179.45 178.73 1r5t n ASP 110 N -4.39 2.05 -4.68 0.86 9.92 -1.26 -0.43 116.55 118.63 1r5t n ASP 110 Ca 0.11 -1.86 -0.47 0.00 -0.53 0.00 0.00 54.79 52.04 1r5t n ASP 110 Cb 0.61 -0.19 -0.04 0.00 -0.64 0.00 0.00 41.12 40.85 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 0.59 2.36 -2.78 1.24 7.35 -0.58 -4.71 117.46 120.92 1r5t n PHE 111 Ca 0.15 0.02 -0.42 0.00 -0.76 0.00 0.00 57.45 56.45 1r5t n PHE 111 Cb 0.36 -2.65 -0.03 0.00 0.35 0.00 0.00 39.48 37.50 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 3.19 4.49 -0.24 -7.13 0.04 -1.26 -0.98 135.00 133.11 1r5t s PRO 112 Ca 0.88 1.28 0.01 0.00 0.04 0.00 0.00 61.00 63.21 1r5t s PRO 112 Cb -0.65 -3.48 0.04 0.00 0.04 0.00 0.00 34.50 30.45 1r5t s PRO 112 CO 0.46 -0.09 -0.11 0.42 0.04 0.00 0.00 177.00 177.72 1r5t s ILE 113 N 1.22 2.39 -0.23 0.56 1.09 0.99 -1.98 121.20 125.25 1r5t s ILE 113 Ca 0.48 -1.30 -0.15 0.00 -1.10 0.00 0.00 60.65 58.58 1r5t s ILE 113 Cb -0.20 -2.26 -0.04 0.00 -1.06 0.00 0.00 42.46 38.90 1r5t s ILE 113 CO 0.23 0.16 0.39 -0.69 -0.10 0.00 0.00 174.94 174.92 1r5t s VAL 114 N 1.22 5.19 -0.16 2.92 1.01 0.81 -2.10 120.40 129.29 1r5t s VAL 114 Ca -0.03 0.65 -0.03 0.00 0.00 0.00 0.00 61.98 62.57 1r5t s VAL 114 Cb -0.17 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1r5t s VAL 114 CO -0.06 0.21 -0.05 -0.04 0.00 0.00 0.00 175.10 175.16 1r5t s MET 115 N 1.61 3.59 0.25 2.72 -1.94 0.28 -0.28 119.30 125.53 1r5t s MET 115 Ca 0.17 -0.56 0.08 0.00 -1.71 0.00 0.00 55.69 53.67 1r5t s MET 115 Cb -0.15 -2.87 -0.05 0.00 2.01 0.00 0.00 34.83 33.77 1r5t s MET 115 CO 0.08 0.20 -0.12 -0.51 -0.01 0.00 0.00 175.02 174.66 1r5t s LEU 116 N 0.47 2.54 0.69 -0.03 1.43 0.81 -1.00 118.68 123.58 1r5t s LEU 116 Ca -0.05 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 51.97 1r5t s LEU 116 Cb -0.15 -0.74 0.11 0.00 0.03 0.00 0.00 46.19 45.45 1r5t s LEU 116 CO 0.03 -0.20 0.95 0.54 0.23 0.00 0.00 176.35 177.91 1r5t s ASN 117 N -3.40 4.52 0.33 2.29 4.22 -1.11 -2.52 114.94 119.27 1r5t s ASN 117 Ca 0.26 -0.35 0.10 0.00 -2.14 0.00 0.00 52.86 50.74 1r5t s ASN 117 Cb 0.00 -0.11 0.99 0.00 1.28 0.00 0.00 41.25 43.42 1r5t s ASN 117 CO 0.10 -1.73 1.61 0.77 -2.04 0.00 0.00 177.10 175.81 1r5t h SER 118 N -0.40 0.08 0.03 3.54 4.64 0.12 -2.99 113.55 118.57 1r5t h SER 118 Ca -0.37 0.24 -0.32 0.00 -0.47 0.00 0.00 61.79 60.87 1r5t h SER 118 Cb 1.27 0.30 -0.04 0.00 -0.31 0.00 0.00 62.40 63.62 1r5t h SER 118 CO 0.42 -0.29 -1.77 0.35 -0.87 0.00 0.00 176.83 174.67 1r5t n THR 119 N -5.27 1.58 0.00 2.95 -2.24 -1.26 -4.88 114.28 105.16 1r5t n THR 119 Ca 0.29 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1r5t n THR 119 Cb 0.95 -1.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 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 1.57 -0.33 0.39 3.38 0.00 -1.13 -5.04 105.19 104.02 1r5t n GLY 120 Ca -0.38 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 1r5t n GLY 120 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1r5t h SER 121 N 0.00 -1.17 -3.02 1.61 0.87 -1.94 -3.43 113.55 106.46 1r5t h SER 121 Ca 0.00 0.11 -0.51 0.00 -1.23 0.00 0.00 61.79 60.16 1r5t h SER 121 Cb 0.00 0.41 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1r5t h SER 121 CO 0.00 -0.48 -0.21 -0.13 -0.53 0.00 0.00 176.83 175.48 1r5t s ARG 122 N -5.19 3.57 0.07 2.24 0.52 -1.26 -5.00 118.95 113.90 1r5t s ARG 122 Ca -0.13 -0.16 -0.26 0.00 -0.52 0.00 0.00 55.73 54.65 1r5t s ARG 122 Cb 0.04 -2.70 0.07 0.00 0.52 0.00 0.00 34.95 32.88 1r5t s ARG 122 CO 0.47 0.25 0.65 -1.54 0.02 0.00 0.00 175.30 175.15 1r5t s SER 123 N -3.34 -0.59 -0.21 0.23 1.04 -1.26 -2.77 113.70 106.80 1r5t s SER 123 Ca 0.42 0.26 -0.16 0.00 0.48 0.00 0.00 55.95 56.94 1r5t s SER 123 Cb -0.11 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.64 1r5t s SER 123 CO 0.31 -0.82 0.54 -0.54 0.98 0.00 0.00 173.24 173.71 1r5t s LYS 124 N -2.79 0.59 -0.14 4.02 1.02 -0.17 -4.98 119.74 117.29 1r5t s LYS 124 Ca -0.03 0.83 -0.00 0.00 0.02 0.00 0.00 55.97 56.79 1r5t s LYS 124 Cb -0.01 0.21 -0.01 0.00 -0.52 0.00 0.00 37.83 37.51 1r5t s LYS 124 CO -0.05 -0.10 -0.13 0.08 -0.92 0.00 0.00 175.35 174.23 1r5t s VAL 125 N 0.72 2.98 0.03 3.17 1.01 -1.26 -0.56 120.40 126.50 1r5t s VAL 125 Ca -0.04 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 1r5t s VAL 125 Cb -0.05 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1r5t s VAL 125 CO -0.05 0.51 0.05 -0.04 0.00 0.00 0.00 175.10 175.57 1r5t s MET 126 N 0.57 0.52 0.39 2.72 -1.94 -0.89 -4.98 119.30 115.69 1r5t s MET 126 Ca -0.08 -0.79 0.02 0.00 -1.71 0.00 0.00 55.69 53.13 1r5t s MET 126 Cb -0.16 0.20 -0.01 0.00 2.01 0.00 0.00 34.83 36.87 1r5t s MET 126 CO 0.03 -0.12 0.59 0.95 -0.01 0.00 0.00 175.02 176.47 1r5t s THR 127 N -2.52 4.40 0.27 2.05 -4.23 -1.26 -0.00 115.64 114.35 1r5t s THR 127 Ca -0.06 -0.58 -0.01 0.00 -1.18 0.00 0.00 61.69 59.86 1r5t s THR 127 Cb -0.02 -3.60 0.28 0.00 1.34 0.00 0.00 72.50 70.50 1r5t s THR 127 CO -0.04 -0.38 1.86 -0.03 -0.54 0.00 0.00 174.62 175.49 1r5t h MET 128 N 0.61 1.07 -0.40 3.99 4.05 -0.96 -1.79 114.93 121.52 1r5t h MET 128 Ca -0.47 -0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 58.83 1r5t h MET 128 Cb 1.24 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 31.78 1r5t h MET 128 CO 0.58 0.71 0.04 0.78 0.23 0.00 0.00 176.91 179.25 1r5t h GLY 129 N 1.11 0.65 1.66 1.39 0.00 -1.04 -2.09 103.07 104.76 1r5t h GLY 129 Ca 0.46 -0.38 -0.22 0.00 0.00 0.00 0.00 47.33 47.20 1r5t h GLY 129 CO -0.21 0.36 -0.94 0.83 0.00 0.00 0.00 176.54 176.57 1r5t h GLU 130 N 0.59 0.30 0.00 4.80 5.08 -1.60 -3.14 114.58 120.60 1r5t h GLU 130 Ca 0.13 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 1r5t h GLU 130 Cb 0.31 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1r5t h GLU 130 CO 0.01 1.04 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.69 1r5t h LEU 131 N 0.16 0.00 -5.87 1.33 3.38 -1.14 -3.39 115.31 109.78 1r5t h LEU 131 Ca -0.07 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.46 1r5t h LEU 131 Cb 1.58 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 42.02 1r5t h LEU 131 CO 0.15 0.30 -0.83 -0.11 0.09 0.00 0.00 178.44 178.04 1r5t n LEU 132 N -3.31 -1.38 -4.77 1.67 7.94 -0.80 -5.06 117.00 111.29 1r5t n LEU 132 Ca 0.01 -3.95 -0.31 0.00 -1.11 0.00 0.00 56.01 50.66 1r5t n LEU 132 Cb 0.55 0.63 0.09 0.00 0.53 0.00 0.00 43.42 45.22 1r5t n LEU 132 CO 0.36 1.91 0.70 -2.84 -1.11 0.00 0.00 177.39 176.41 1r5t s PRO 133 N 0.18 2.21 -1.53 1.96 0.02 -1.19 -3.42 135.00 133.23 1r5t s PRO 133 Ca 0.32 1.06 -0.16 0.00 0.02 0.00 0.00 61.00 62.24 1r5t s PRO 133 Cb 0.05 -1.90 0.13 0.00 0.02 0.00 0.00 34.50 32.81 1r5t s PRO 133 CO -0.15 -1.64 0.67 -1.33 -0.33 0.00 0.00 177.00 174.22 1r5t n MET 134 N -3.51 -3.12 -1.72 5.54 2.81 -1.26 -4.80 117.12 111.06 1r5t n MET 134 Ca 0.08 0.37 -0.43 0.00 -1.81 0.00 0.00 57.70 55.92 1r5t n MET 134 Cb 0.54 -5.09 -0.02 0.00 -0.71 0.00 0.00 33.22 27.93 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 -4.06 2.30 -2.74 3.04 0.00 -1.22 -4.89 120.51 112.94 1r5t n ALA 135 Ca 0.06 0.39 -0.43 0.00 0.00 0.00 0.00 53.44 53.45 1r5t n ALA 135 Cb 0.50 -2.44 -0.00 0.00 0.00 0.00 0.00 19.45 17.51 1r5t n ALA 135 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1r5t s PHE 136 N 0.32 3.08 0.52 0.00 5.36 -1.26 -4.93 117.98 121.07 1r5t s PHE 136 Ca 0.68 -1.79 0.00 0.00 -0.96 0.00 0.00 56.93 54.86 1r5t s PHE 136 Cb -0.54 -4.56 -0.00 0.00 -0.34 0.00 0.00 43.02 37.59 1r5t s PHE 136 CO 0.44 -1.63 0.00 0.41 -1.46 0.00 0.00 175.22 172.98 1r5t n GLY 137 N 4.94 3.55 0.30 13.12 0.00 -1.26 -5.03 105.19 120.81 1r5t n GLY 137 Ca 0.42 -2.38 0.07 0.00 0.00 0.00 0.00 46.02 44.14 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 0.06 0.00 1.61 0.11 -1.90 -3.52 132.00 128.36 1r5t h PRO 138 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1r5t h PRO 138 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1r5t h PRO 138 CO 0.72 0.04 0.00 0.43 -0.21 0.00 0.00 178.00 178.98