#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4y n VAL 2 N 0.00 2.59 -3.35 0.00 3.14 -1.26 -4.47 118.33 114.98 1r4y n VAL 2 Ca 0.00 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.49 1r4y n VAL 2 Cb 0.00 -0.80 -0.08 0.00 -1.06 0.00 0.00 33.84 31.90 1r4y n VAL 2 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1r4y s THR 3 N -1.65 5.15 0.25 1.55 2.01 -1.26 -3.59 115.64 118.11 1r4y s THR 3 Ca 0.70 0.68 -0.29 0.00 0.31 0.00 0.00 61.69 63.09 1r4y s THR 3 Cb -0.45 -3.74 -0.09 0.00 0.01 0.00 0.00 72.50 68.23 1r4y s THR 3 CO 0.53 0.16 0.96 0.26 -0.69 0.00 0.00 174.62 175.84 1r4y s TRP 4 N 1.94 3.91 -0.04 4.92 0.52 0.03 -4.43 118.94 125.79 1r4y s TRP 4 Ca 0.18 1.88 0.03 0.00 0.02 0.00 0.00 56.10 58.21 1r4y s TRP 4 Cb -0.15 -3.01 0.00 0.00 -1.15 0.00 0.00 33.47 29.16 1r4y s TRP 4 CO 0.09 0.32 -0.14 0.99 0.02 0.00 0.00 176.95 178.23 1r4y s THR 5 N -1.23 1.16 0.00 2.01 2.01 -1.23 0.53 115.64 118.89 1r4y s THR 5 Ca 0.43 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.87 1r4y s THR 5 Cb -0.26 -1.02 0.00 0.00 0.01 0.00 0.00 72.50 71.23 1r4y s THR 5 CO 0.32 0.35 0.00 0.00 -0.69 0.00 0.00 174.62 174.60 1r4y n GLY 7 N 3.24 2.96 2.89 0.00 0.00 -1.26 -4.77 105.19 108.25 1r4y n GLY 7 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1r4y n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r4y n GLY 8 N 0.15 2.75 3.80 -0.02 0.00 -1.26 -5.00 105.19 105.61 1r4y n GLY 8 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1r4y n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r4y s LEU 9 N 0.00 4.55 0.03 0.99 1.02 -1.26 -5.03 118.68 118.99 1r4y s LEU 9 Ca 0.00 1.38 -0.23 0.00 0.02 0.00 0.00 54.13 55.30 1r4y s LEU 9 Cb 0.00 -3.02 -0.06 0.00 0.02 0.00 0.00 46.19 43.13 1r4y s LEU 9 CO 0.00 0.26 0.70 -0.76 0.02 0.00 0.00 176.35 176.57 1r4y s LEU 10 N -1.12 4.45 -0.28 1.79 1.02 -1.26 -3.46 118.68 119.82 1r4y s LEU 10 Ca 0.31 1.36 0.02 0.00 0.02 0.00 0.00 54.13 55.83 1r4y s LEU 10 Cb -0.21 -3.12 0.08 0.00 0.02 0.00 0.00 46.19 42.96 1r4y s LEU 10 CO 0.21 0.06 -0.01 -0.31 0.02 0.00 0.00 176.35 176.32 1r4y s TYR 11 N -0.18 2.82 -0.20 0.29 2.02 0.19 -4.26 117.35 118.03 1r4y s TYR 11 Ca 0.36 -2.19 -0.31 0.00 -0.37 0.00 0.00 57.07 54.55 1r4y s TYR 11 Cb -0.20 -2.03 -0.08 0.00 -0.40 0.00 0.00 41.96 39.25 1r4y s TYR 11 CO 0.21 -0.86 2.13 -1.71 -1.57 0.00 0.00 175.55 173.75 1r4y n ASN 12 N 4.54 3.11 -0.16 2.29 4.05 -1.26 -0.79 115.26 127.03 1r4y n ASN 12 Ca -0.07 0.47 -0.02 0.00 0.45 0.00 0.00 54.58 55.42 1r4y n ASN 12 Cb 0.43 -1.45 0.06 0.00 1.23 0.00 0.00 39.78 40.05 1r4y n ASN 12 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 177.26 173.60 1r4y h GLN 13 N 12.86 0.10 -1.01 1.20 5.75 -1.78 0.34 115.11 132.58 1r4y h GLN 13 Ca -0.40 -0.01 0.23 0.00 -0.15 0.00 0.00 58.65 58.33 1r4y h GLN 13 Cb 1.27 -0.02 -0.12 0.00 1.07 0.00 0.00 27.48 29.68 1r4y h GLN 13 CO 0.97 0.07 0.60 -0.97 -2.65 0.00 0.00 178.83 176.85 1r4y h ASN 14 N 0.10 0.69 -0.18 -0.69 -0.73 -1.87 0.46 115.58 113.37 1r4y h ASN 14 Ca 0.26 0.12 -0.18 0.00 1.87 0.00 0.00 56.30 58.37 1r4y h ASN 14 Cb 0.40 0.01 -0.00 0.00 0.27 0.00 0.00 38.32 39.00 1r4y h ASN 14 CO -0.44 0.15 -0.58 0.11 -0.37 0.00 0.00 177.43 176.29 1r4y h LYS 15 N 0.62 0.78 -0.97 6.67 1.57 -0.86 0.79 116.57 125.16 1r4y h LYS 15 Ca 0.63 -0.51 0.14 0.00 -1.87 0.00 0.00 60.65 59.04 1r4y h LYS 15 Cb 1.16 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 33.45 1r4y h LYS 15 CO -0.44 1.14 0.61 0.00 -0.57 0.00 0.00 179.45 180.19 1r4y h ALA 16 N 0.75 1.65 0.11 3.86 0.00 0.29 0.72 119.26 126.64 1r4y h ALA 16 Ca 0.00 0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.59 1r4y h ALA 16 Cb 1.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1r4y h ALA 16 CO 0.12 0.07 -1.97 -0.85 0.00 0.00 0.00 179.25 176.63 1r4y n GLU 17 N -4.63 0.74 0.09 0.00 0.28 -0.03 -3.52 120.64 113.57 1r4y n GLU 17 Ca 0.20 0.26 -0.05 0.00 -0.16 0.00 0.00 57.16 57.41 1r4y n GLU 17 Cb 0.44 -1.72 -0.02 0.00 1.43 0.00 0.00 31.44 31.57 1r4y n GLU 17 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1r4y h SER 18 N 0.06 -0.28 -1.10 -1.84 0.87 0.92 0.57 113.55 112.76 1r4y h SER 18 Ca -0.41 0.01 0.32 0.00 -1.23 0.00 0.00 61.79 60.48 1r4y h SER 18 Cb 2.03 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 64.02 1r4y h SER 18 CO 0.09 0.17 0.82 -1.13 -0.53 0.00 0.00 176.83 176.25 1r4y h ASN 19 N -1.08 0.00 1.14 6.23 -0.00 0.30 0.38 115.58 122.54 1r4y h ASN 19 Ca -0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 56.30 56.15 1r4y h ASN 19 Cb 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.56 1r4y h ASN 19 CO 0.06 0.00 -0.91 0.77 -0.00 0.00 0.00 177.43 177.34 1r4y h SER 20 N 0.00 0.00 -0.72 1.15 4.64 -1.50 -3.32 113.55 113.80 1r4y h SER 20 Ca 0.52 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.92 1r4y h SER 20 Cb 2.16 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 64.20 1r4y h SER 20 CO -0.01 0.47 0.47 0.45 -0.87 0.00 0.00 176.83 177.34 1r4y h HIS 21 N 0.00 0.72 -0.21 4.77 3.86 0.45 -1.67 115.15 123.07 1r4y h HIS 21 Ca -0.07 0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.01 1r4y h HIS 21 Cb 1.42 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1r4y h HIS 21 CO 0.00 0.37 -0.47 0.45 0.86 0.00 0.00 177.93 179.14 1r4y h HIS 22 N 0.70 0.88 -1.00 2.45 3.86 -1.63 -3.46 115.15 116.95 1r4y h HIS 22 Ca 0.32 -0.33 -0.74 0.00 -1.16 0.00 0.00 60.37 58.46 1r4y h HIS 22 Cb 0.33 -0.16 0.07 0.00 1.06 0.00 0.00 27.41 28.72 1r4y h HIS 22 CO -0.00 1.11 -0.16 0.00 0.86 0.00 0.00 177.93 179.74 1r4y n ALA 23 N -2.54 -3.36 -2.29 2.45 0.00 -0.63 -4.82 120.51 109.32 1r4y n ALA 23 Ca -0.06 0.54 -0.43 0.00 0.00 0.00 0.00 53.44 53.50 1r4y n ALA 23 Cb 0.58 -1.70 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 1r4y n ALA 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1r4y s PRO 24 N -0.38 4.17 -0.97 0.00 0.04 -1.26 -4.88 135.00 131.72 1r4y s PRO 24 Ca 0.81 1.78 -0.26 0.00 0.04 0.00 0.00 61.00 63.37 1r4y s PRO 24 Cb -1.14 -3.85 -0.19 0.00 0.04 0.00 0.00 34.50 29.36 1r4y s PRO 24 CO 0.57 -0.81 2.23 -1.17 0.04 0.00 0.00 177.00 177.85 1r4y s LEU 25 N 3.82 2.56 -0.17 -3.56 2.96 -1.26 -4.75 118.68 118.27 1r4y s LEU 25 Ca 0.61 -0.58 -0.29 0.00 -0.22 0.00 0.00 54.13 53.65 1r4y s LEU 25 Cb -0.25 -2.58 0.11 0.00 0.50 0.00 0.00 46.19 43.97 1r4y s LEU 25 CO 0.20 -4.42 0.91 -0.44 -1.32 0.00 0.00 176.35 171.28 1r4y s SER 26 N 9.42 -0.48 -1.13 3.68 0.01 -1.26 -4.95 113.70 118.99 1r4y s SER 26 Ca 0.86 0.65 -0.21 0.00 1.31 0.00 0.00 55.95 58.55 1r4y s SER 26 Cb -0.08 0.56 0.05 0.00 0.21 0.00 0.00 66.02 66.76 1r4y s SER 26 CO 0.14 -0.36 1.62 -0.62 0.41 0.00 0.00 173.24 174.43 1r4y s ASP 27 N -0.75 6.48 -0.25 2.44 2.15 -1.26 -4.36 116.67 121.11 1r4y s ASP 27 Ca -0.03 -1.80 -0.04 0.00 0.43 0.00 0.00 52.55 51.11 1r4y s ASP 27 Cb -0.02 -2.57 0.01 0.00 -0.30 0.00 0.00 42.92 40.04 1r4y s ASP 27 CO 0.02 -1.53 0.16 0.61 -0.17 0.00 0.00 175.17 174.26 1r4y n GLY 28 N 6.26 -2.89 2.72 2.66 0.00 -1.11 -4.63 105.19 108.19 1r4y n GLY 28 Ca 0.40 0.49 -0.04 0.00 0.00 0.00 0.00 46.02 46.87 1r4y n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r4y n LYS 29 N 0.19 1.37 -2.20 1.61 4.76 -1.25 -5.04 118.16 117.61 1r4y n LYS 29 Ca 0.03 -2.40 -0.02 0.00 -2.87 0.00 0.00 58.31 53.06 1r4y n LYS 29 Cb 0.12 -0.57 -0.01 0.00 -1.84 0.00 0.00 35.03 32.73 1r4y n LYS 29 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1r4y n THR 30 N -0.75 0.00 -0.07 -0.18 -2.24 -1.25 -5.01 114.28 104.79 1r4y n THR 30 Ca -0.02 -0.19 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 1r4y n THR 30 Cb 0.84 0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 69.08 1r4y n THR 30 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1r4y h GLY 31 N 0.13 0.00 0.04 3.38 0.00 -0.27 -3.33 103.07 103.03 1r4y h GLY 31 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1r4y h GLY 31 CO 0.04 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.32 1r4y n SER 32 N -4.63 0.00 0.00 0.19 2.88 0.41 -3.86 113.62 108.61 1r4y n SER 32 Ca -0.10 -1.57 0.00 0.00 -1.33 0.00 0.00 58.87 55.87 1r4y n SER 32 Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 1r4y n SER 32 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1r4y n SER 33 N -0.52 0.00 -4.75 -3.46 3.41 -1.25 -4.98 113.62 102.06 1r4y n SER 33 Ca 0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.22 1r4y n SER 33 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1r4y n SER 33 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1r4y n TYR 34 N 0.00 2.61 -1.04 7.33 4.01 -1.26 -3.76 117.16 125.05 1r4y n TYR 34 Ca 0.00 0.45 -0.08 0.00 -0.16 0.00 0.00 57.90 58.11 1r4y n TYR 34 Cb 0.00 -2.45 0.06 0.00 -0.31 0.00 0.00 39.34 36.64 1r4y n TYR 34 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1r4y n PRO 35 N -0.19 -0.79 -3.43 -0.72 -0.04 -1.26 -4.65 135.00 123.92 1r4y n PRO 35 Ca 0.06 -0.54 -0.12 0.00 -0.04 0.00 0.00 63.50 62.86 1r4y n PRO 35 Cb 0.41 -0.40 -0.02 0.00 -0.04 0.00 0.00 33.50 33.45 1r4y n PRO 35 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1r4y s HIS 36 N -1.71 -0.52 0.20 0.54 -3.43 -1.15 -2.77 115.29 106.45 1r4y s HIS 36 Ca 0.20 0.32 -0.30 0.00 -0.80 0.00 0.00 55.06 54.49 1r4y s HIS 36 Cb -0.01 0.54 -0.09 0.00 -1.43 0.00 0.00 32.58 31.59 1r4y s HIS 36 CO 0.15 -0.84 1.31 -0.46 -2.00 0.00 0.00 174.74 172.90 1r4y s TRP 37 N -3.69 3.25 -0.63 0.38 -0.00 -1.26 -1.80 118.94 115.19 1r4y s TRP 37 Ca 0.01 1.22 -0.17 0.00 -0.00 0.00 0.00 56.10 57.16 1r4y s TRP 37 Cb -0.01 -3.60 0.14 0.00 -0.00 0.00 0.00 33.47 30.00 1r4y s TRP 37 CO -0.12 -1.88 0.65 0.12 -0.00 0.00 0.00 176.95 175.72 1r4y s PHE 38 N 0.12 3.25 0.37 5.86 5.36 0.22 -4.87 117.98 128.29 1r4y s PHE 38 Ca 0.57 -1.32 0.29 0.00 -0.96 0.00 0.00 56.93 55.51 1r4y s PHE 38 Cb -0.36 -3.90 1.25 0.00 -0.34 0.00 0.00 43.02 39.66 1r4y s PHE 38 CO 0.38 -1.14 1.27 0.25 -1.46 0.00 0.00 175.22 174.53 1r4y n THR 39 N 5.12 -0.18 -1.07 0.12 -2.24 -1.26 -4.48 114.28 110.30 1r4y n THR 39 Ca -0.05 1.43 -0.02 0.00 -2.27 0.00 0.00 64.05 63.14 1r4y n THR 39 Cb 0.43 -2.35 -0.01 0.00 -2.10 0.00 0.00 70.33 66.29 1r4y n THR 39 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1r4y n ASN 40 N -4.21 -5.05 0.00 3.42 4.05 -1.26 -0.35 115.26 111.86 1r4y n ASN 40 Ca 0.33 0.06 0.00 0.00 0.45 0.00 0.00 54.58 55.42 1r4y n ASN 40 Cb 1.33 -2.76 0.00 0.00 1.23 0.00 0.00 39.78 39.58 1r4y n ASN 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1r4y n GLY 41 N -0.36 0.71 3.99 8.20 0.00 -1.26 -4.36 105.19 112.11 1r4y n GLY 41 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1r4y n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r4y s TYR 42 N -2.14 3.10 0.03 1.61 1.51 0.53 -4.25 117.35 117.74 1r4y s TYR 42 Ca 0.00 -0.17 -0.02 0.00 -1.01 0.00 0.00 57.07 55.87 1r4y s TYR 42 Cb 0.00 -2.08 -0.27 0.00 -0.11 0.00 0.00 41.96 39.50 1r4y s TYR 42 CO 0.00 -0.11 0.94 -0.44 -1.11 0.00 0.00 175.55 174.84 1r4y h ASP 43 N 0.79 0.35 0.00 2.29 3.32 -1.70 -3.44 116.42 118.02 1r4y h ASP 43 Ca -0.45 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.14 1r4y h ASP 43 Cb 1.26 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1r4y h ASP 43 CO 0.53 1.37 0.00 0.61 -1.72 0.00 0.00 179.24 180.03 1r4y n GLY 44 N 1.61 -1.30 0.63 2.75 0.00 -1.26 -5.02 105.19 102.60 1r4y n GLY 44 Ca -0.13 0.50 -0.03 0.00 0.00 0.00 0.00 46.02 46.36 1r4y n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r4y n ASP 45 N 0.00 1.21 -4.52 1.61 8.00 -1.26 -1.52 116.55 120.06 1r4y n ASP 45 Ca 0.00 0.18 -0.32 0.00 0.71 0.00 0.00 54.79 55.36 1r4y n ASP 45 Cb 0.00 -0.46 0.15 0.00 -0.02 0.00 0.00 41.12 40.80 1r4y n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r4y n GLY 46 N 2.63 -1.33 0.00 0.44 0.00 -1.26 -4.07 105.19 101.59 1r4y n GLY 46 Ca -0.05 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1r4y n GLY 46 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1r4y n LYS 47 N -3.04 0.46 -2.43 1.61 2.85 -1.26 -4.06 118.16 112.28 1r4y n LYS 47 Ca 0.08 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 57.03 1r4y n LYS 47 Cb 0.53 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.89 1r4y n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1r4y s LEU 48 N 0.00 3.62 0.74 -5.58 1.02 -1.26 -3.94 118.68 113.27 1r4y s LEU 48 Ca 0.00 1.45 -0.11 0.00 0.02 0.00 0.00 54.13 55.49 1r4y s LEU 48 Cb 0.00 -4.40 0.04 0.00 0.02 0.00 0.00 46.19 41.85 1r4y s LEU 48 CO 0.00 -0.58 1.08 -2.16 0.02 0.00 0.00 176.35 174.71 1r4y s PRO 49 N -4.17 2.50 -0.71 1.29 0.04 -1.26 -4.86 135.00 127.84 1r4y s PRO 49 Ca 0.57 1.14 -0.26 0.00 0.04 0.00 0.00 61.00 62.48 1r4y s PRO 49 Cb -0.10 -1.93 -0.14 0.00 0.04 0.00 0.00 34.50 32.37 1r4y s PRO 49 CO 0.34 -1.45 2.47 1.17 0.04 0.00 0.00 177.00 179.57 1r4y n LYS 50 N -3.29 0.61 0.00 4.56 4.81 -1.26 -3.59 118.16 120.01 1r4y n LYS 50 Ca 0.09 -0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 1r4y n LYS 50 Cb 0.53 -2.78 0.00 0.00 0.02 0.00 0.00 35.03 32.80 1r4y n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1r4y n GLY 51 N 6.22 0.80 3.60 3.14 0.00 -1.26 -5.18 105.19 112.52 1r4y n GLY 51 Ca 0.49 -0.60 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 1r4y n GLY 51 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1r4y s ARG 52 N -0.42 0.32 -0.19 1.61 3.52 -1.24 -5.15 118.95 117.39 1r4y s ARG 52 Ca 0.00 -0.07 -0.05 0.00 -0.13 0.00 0.00 55.73 55.48 1r4y s ARG 52 Cb 0.00 0.15 0.07 0.00 -1.56 0.00 0.00 34.95 33.61 1r4y s ARG 52 CO 0.00 -0.13 0.13 0.99 -0.81 0.00 0.00 175.30 175.48 1r4y s THR 53 N -2.08 -0.15 1.17 4.11 2.01 -1.26 -5.01 115.64 114.42 1r4y s THR 53 Ca 0.08 -0.22 -0.19 0.00 0.31 0.00 0.00 61.69 61.67 1r4y s THR 53 Cb -0.01 -0.65 0.28 0.00 0.01 0.00 0.00 72.50 72.13 1r4y s THR 53 CO -0.05 -0.31 1.18 -2.16 -0.69 0.00 0.00 174.62 172.59 1r4y s PRO 54 N 2.19 -0.96 -0.18 4.92 0.04 -1.26 -4.98 135.00 134.76 1r4y s PRO 54 Ca 0.04 -0.25 -0.20 0.00 0.04 0.00 0.00 61.00 60.63 1r4y s PRO 54 Cb -0.16 -1.64 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 1r4y s PRO 54 CO -0.13 -3.51 0.58 0.42 0.04 0.00 0.00 177.00 174.40 1r4y s ILE 55 N -3.26 5.07 0.10 0.56 1.01 -1.26 -5.04 121.20 118.37 1r4y s ILE 55 Ca 0.73 1.10 -0.29 0.00 0.00 0.00 0.00 60.65 62.19 1r4y s ILE 55 Cb -0.07 -3.90 -0.06 0.00 0.01 0.00 0.00 42.46 38.44 1r4y s ILE 55 CO 0.55 0.16 0.91 -0.75 0.00 0.00 0.00 174.94 175.82 1r4y s LYS 56 N 1.62 4.65 -0.08 2.79 2.36 -1.26 -4.94 119.74 124.88 1r4y s LYS 56 Ca 0.27 1.36 -0.03 0.00 -2.55 0.00 0.00 55.97 55.02 1r4y s LYS 56 Cb -0.16 -3.37 -0.04 0.00 -1.05 0.00 0.00 37.83 33.21 1r4y s LYS 56 CO 0.11 0.23 -0.09 1.19 1.55 0.00 0.00 175.35 178.33 1r4y n PHE 57 N 2.78 0.00 0.00 4.03 3.72 -1.26 -4.95 117.46 121.78 1r4y n PHE 57 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1r4y n PHE 57 Cb 0.49 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 1r4y n PHE 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r4y n GLY 58 N 2.64 0.94 3.81 1.37 0.00 -1.26 -5.06 105.19 107.64 1r4y n GLY 58 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1r4y n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r4y s LYS 59 N 0.00 3.16 0.00 1.61 1.02 -1.26 -5.00 119.74 119.27 1r4y s LYS 59 Ca 0.00 -0.44 0.28 0.00 0.02 0.00 0.00 55.97 55.83 1r4y s LYS 59 Cb 0.00 -2.92 1.24 0.00 -0.52 0.00 0.00 37.83 35.63 1r4y s LYS 59 CO 0.00 0.66 1.91 0.45 -0.92 0.00 0.00 175.35 177.45 1r4y n SER 60 N 1.13 0.00 -0.09 2.83 2.88 -1.26 -2.01 113.62 117.10 1r4y n SER 60 Ca -0.13 0.38 -0.21 0.00 -1.33 0.00 0.00 58.87 57.58 1r4y n SER 60 Cb 0.53 -0.46 -0.12 0.00 -0.75 0.00 0.00 64.21 63.41 1r4y n SER 60 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1r4y h ASP 61 N 0.00 0.05 1.10 -3.46 5.19 -1.94 -2.19 116.42 115.16 1r4y h ASP 61 Ca 0.00 -0.59 0.00 0.00 -0.62 0.00 0.00 57.03 55.82 1r4y h ASP 61 Cb 0.44 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1r4y h ASP 61 CO 0.00 1.49 0.00 0.00 -3.12 0.00 0.00 179.24 177.61 1r4y h ASP 63 N 0.00 0.18 -3.95 0.00 3.58 -1.53 -3.48 116.42 111.22 1r4y h ASP 63 Ca 0.00 -0.30 -0.53 0.00 0.42 0.00 0.00 57.03 56.63 1r4y h ASP 63 Cb 0.55 -0.06 0.20 0.00 1.72 0.00 0.00 39.33 41.74 1r4y h ASP 63 CO 0.00 1.25 -0.03 -2.11 -2.88 0.00 0.00 179.24 175.47 1r4y n ARG 64 N -3.29 -0.27 -2.32 0.28 1.85 -0.82 -4.95 116.66 107.14 1r4y n ARG 64 Ca -0.16 -0.02 -0.40 0.00 -1.00 0.00 0.00 57.85 56.27 1r4y n ARG 64 Cb 1.03 -2.21 -0.03 0.00 -1.05 0.00 0.00 32.46 30.20 1r4y n ARG 64 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1r4y s PRO 65 N -4.16 4.51 0.99 2.89 0.04 -1.26 -4.97 135.00 133.04 1r4y s PRO 65 Ca 0.65 1.98 -0.12 0.00 0.04 0.00 0.00 61.00 63.54 1r4y s PRO 65 Cb -0.24 -3.13 0.18 0.00 0.04 0.00 0.00 34.50 31.36 1r4y s PRO 65 CO 0.60 0.03 1.10 -1.25 0.04 0.00 0.00 177.00 177.52 1r4y s PRO 66 N -1.61 0.48 -0.36 0.56 0.04 -1.26 -4.95 135.00 127.90 1r4y s PRO 66 Ca 0.47 0.45 0.14 0.00 0.04 0.00 0.00 61.00 62.09 1r4y s PRO 66 Cb -0.35 -1.75 0.45 0.00 0.04 0.00 0.00 34.50 32.89 1r4y s PRO 66 CO 0.46 -2.68 1.00 1.63 0.04 0.00 0.00 177.00 177.45 1r4y n LYS 67 N -4.13 1.90 -1.80 4.56 5.02 -1.25 -4.32 118.16 118.14 1r4y n LYS 67 Ca 0.05 -3.67 -0.32 0.00 -2.02 0.00 0.00 58.31 52.36 1r4y n LYS 67 Cb 0.58 -1.58 0.03 0.00 -0.02 0.00 0.00 35.03 34.04 1r4y n LYS 67 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1r4y s HIS 68 N -3.26 2.98 0.00 2.13 5.65 -0.58 -4.47 115.29 117.74 1r4y s HIS 68 Ca 0.34 1.49 0.00 0.00 0.25 0.00 0.00 55.06 57.13 1r4y s HIS 68 Cb 0.44 -2.97 0.00 0.00 -1.18 0.00 0.00 32.58 28.87 1r4y s HIS 68 CO -0.04 -1.24 0.00 -1.13 -0.65 0.00 0.00 174.74 171.69 1r4y n SER 69 N -2.55 0.00 -4.21 9.88 3.41 -1.26 -4.10 113.62 114.79 1r4y n SER 69 Ca 0.08 -0.01 -0.43 0.00 -0.26 0.00 0.00 58.87 58.26 1r4y n SER 69 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1r4y n SER 69 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1r4y n LYS 70 N 0.00 3.17 0.00 4.33 4.76 -1.26 -3.74 118.16 125.42 1r4y n LYS 70 Ca 0.00 -3.18 0.00 0.00 -2.87 0.00 0.00 58.31 52.26 1r4y n LYS 70 Cb 0.00 -3.30 0.00 0.00 -1.84 0.00 0.00 35.03 29.89 1r4y n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1r4y n ASP 71 N 6.71 0.00 0.00 4.39 9.92 -1.26 -5.04 116.55 131.26 1r4y n ASP 71 Ca 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.73 1r4y n ASP 71 Cb 0.42 0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 1r4y n ASP 71 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r4y n GLY 72 N -0.84 3.00 2.33 0.44 0.00 -1.24 -4.82 105.19 104.06 1r4y n GLY 72 Ca 0.00 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 1r4y n GLY 72 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1r4y n ASN 73 N 1.32 1.57 0.00 1.61 6.94 -1.26 -4.29 115.26 121.16 1r4y n ASN 73 Ca 0.00 -3.05 0.00 0.00 -0.02 0.00 0.00 54.58 51.51 1r4y n ASN 73 Cb 0.00 -0.63 0.00 0.00 -2.36 0.00 0.00 39.78 36.79 1r4y n ASN 73 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1r4y n GLY 74 N 0.75 -2.46 0.00 4.83 0.00 -1.26 -4.92 105.19 102.13 1r4y n GLY 74 Ca 0.25 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1r4y n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r4y n LYS 75 N 0.00 0.00 -0.18 1.61 5.02 -1.26 -4.58 118.16 118.77 1r4y n LYS 75 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.36 1r4y n LYS 75 Cb 0.00 -0.37 0.14 0.00 -0.02 0.00 0.00 35.03 34.79 1r4y n LYS 75 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1r4y n THR 76 N 0.00 1.64 -0.66 -0.18 5.66 -1.26 -5.04 114.28 114.45 1r4y n THR 76 Ca 0.00 -1.65 -0.20 0.00 -3.05 0.00 0.00 64.05 59.14 1r4y n THR 76 Cb 0.00 0.05 -0.07 0.00 -1.55 0.00 0.00 70.33 68.77 1r4y n THR 76 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1r4y n ASP 77 N -0.62 0.18 -3.60 1.09 2.03 -1.26 -4.68 116.55 109.68 1r4y n ASP 77 Ca 0.13 0.13 -0.41 0.00 0.52 0.00 0.00 54.79 55.16 1r4y n ASP 77 Cb 0.59 -0.42 -0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1r4y n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r4y n HIS 78 N 4.50 2.76 -3.30 -0.67 1.44 -1.26 -4.68 115.22 114.01 1r4y n HIS 78 Ca 0.29 -2.86 -0.38 0.00 -2.01 0.00 0.00 57.72 52.75 1r4y n HIS 78 Cb 0.01 -2.03 -0.06 0.00 0.12 0.00 0.00 29.99 28.03 1r4y n HIS 78 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1r4y s TYR 79 N 0.22 3.70 0.33 -1.40 1.13 -1.26 -3.89 117.35 116.18 1r4y s TYR 79 Ca 0.51 1.13 -0.27 0.00 -1.41 0.00 0.00 57.07 57.03 1r4y s TYR 79 Cb 0.15 -2.51 -0.09 0.00 -1.10 0.00 0.00 41.96 38.41 1r4y s TYR 79 CO -0.06 0.45 1.08 -0.51 -2.51 0.00 0.00 175.55 174.00 1r4y s LEU 80 N -0.49 4.38 0.02 -3.49 1.43 -1.26 -2.67 118.68 116.59 1r4y s LEU 80 Ca 0.28 2.19 0.02 0.00 -1.03 0.00 0.00 54.13 55.59 1r4y s LEU 80 Cb -0.18 -3.86 -0.01 0.00 0.03 0.00 0.00 46.19 42.17 1r4y s LEU 80 CO 0.16 -0.31 -0.08 -0.22 0.23 0.00 0.00 176.35 176.13 1r4y s LEU 81 N -1.96 2.11 0.35 1.79 0.20 -0.50 0.69 118.68 121.37 1r4y s LEU 81 Ca 0.50 -0.30 0.08 0.00 0.69 0.00 0.00 54.13 55.10 1r4y s LEU 81 Cb -0.28 -0.31 -0.04 0.00 -0.43 0.00 0.00 46.19 45.13 1r4y s LEU 81 CO 0.36 -0.02 0.22 -1.83 -0.29 0.00 0.00 176.35 174.78 1r4y s GLU 82 N -0.76 2.51 -0.13 1.98 1.03 -0.75 -2.19 118.70 120.40 1r4y s GLU 82 Ca -0.02 -1.47 -0.09 0.00 0.03 0.00 0.00 54.97 53.43 1r4y s GLU 82 Cb -0.06 -2.29 0.04 0.00 -0.80 0.00 0.00 34.13 31.02 1r4y s GLU 82 CO 0.00 0.07 0.32 0.12 -1.33 0.00 0.00 175.26 174.45 1r4y s PHE 83 N -2.39 -0.40 -0.95 4.83 5.36 -1.07 -2.94 117.98 120.41 1r4y s PHE 83 Ca 0.40 0.94 -0.24 0.00 -0.96 0.00 0.00 56.93 57.07 1r4y s PHE 83 Cb -0.03 0.14 -0.04 0.00 -0.34 0.00 0.00 43.02 42.74 1r4y s PHE 83 CO 0.24 -0.23 1.90 -1.25 -1.46 0.00 0.00 175.22 174.43 1r4y s PRO 84 N 0.72 2.65 -0.33 10.12 0.04 -1.26 -2.13 135.00 144.81 1r4y s PRO 84 Ca -0.05 -0.49 -0.24 0.00 0.04 0.00 0.00 61.00 60.27 1r4y s PRO 84 Cb -0.06 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.37 1r4y s PRO 84 CO -0.05 -3.34 0.80 -0.08 0.04 0.00 0.00 177.00 174.37 1r4y s THR 85 N 9.70 4.75 0.56 1.26 -1.32 -1.19 -4.83 115.64 124.57 1r4y s THR 85 Ca 0.68 1.07 -0.08 0.00 -1.21 0.00 0.00 61.69 62.15 1r4y s THR 85 Cb -0.05 -4.18 -0.03 0.00 -1.51 0.00 0.00 72.50 66.72 1r4y s THR 85 CO 0.00 -0.34 0.91 -0.36 -2.21 0.00 0.00 174.62 172.63 1r4y s PHE 86 N 3.05 3.57 0.01 9.09 0.40 -1.26 -4.74 117.98 128.10 1r4y s PHE 86 Ca 0.32 1.03 -0.20 0.00 -0.60 0.00 0.00 56.93 57.48 1r4y s PHE 86 Cb -0.14 -2.54 -0.22 0.00 0.51 0.00 0.00 43.02 40.63 1r4y s PHE 86 CO 0.15 -0.53 1.13 -1.00 0.70 0.00 0.00 175.22 175.67 1r4y h PRO 87 N -0.08 0.41 -0.65 0.24 0.13 -1.96 -3.11 132.00 126.97 1r4y h PRO 87 Ca -0.45 -0.40 0.19 0.00 -0.87 0.00 0.00 66.00 64.47 1r4y h PRO 87 Cb 1.20 0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 1r4y h PRO 87 CO 0.62 1.06 0.53 -0.44 -0.23 0.00 0.00 178.00 179.54 1r4y h ASP 88 N -0.09 0.00 0.00 1.44 5.19 -1.96 -3.41 116.42 117.59 1r4y h ASP 88 Ca -0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1r4y h ASP 88 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1r4y h ASP 88 CO 0.10 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.83 1r4y n GLY 89 N -1.62 2.76 3.53 2.75 0.00 -1.18 -5.00 105.19 106.43 1r4y n GLY 89 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1r4y n GLY 89 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1r4y n HIS 90 N -2.00 0.46 -1.94 1.61 1.44 -1.26 -4.89 115.22 108.63 1r4y n HIS 90 Ca 0.00 0.64 -0.41 0.00 -2.01 0.00 0.00 57.72 55.94 1r4y n HIS 90 Cb 0.00 -2.13 -0.02 0.00 0.12 0.00 0.00 29.99 27.97 1r4y n HIS 90 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1r4y s ASP 91 N -0.79 6.55 0.13 4.39 2.15 -1.26 -4.81 116.67 123.03 1r4y s ASP 91 Ca 0.62 2.82 -0.07 0.00 0.43 0.00 0.00 52.55 56.36 1r4y s ASP 91 Cb -0.64 -2.64 -0.06 0.00 -0.30 0.00 0.00 42.92 39.28 1r4y s ASP 91 CO 0.58 -0.74 0.39 -0.31 -0.17 0.00 0.00 175.17 174.92 1r4y s TYR 92 N -0.60 3.50 -1.39 -5.34 2.02 -1.26 -4.99 117.35 109.29 1r4y s TYR 92 Ca 0.55 0.64 -0.11 0.00 -0.37 0.00 0.00 57.07 57.78 1r4y s TYR 92 Cb -0.44 -2.07 0.09 0.00 -0.40 0.00 0.00 41.96 39.15 1r4y s TYR 92 CO 0.52 0.45 2.16 0.36 -1.57 0.00 0.00 175.55 177.46 1r4y n LYS 93 N 0.32 3.33 0.11 -0.62 2.85 -1.26 -4.56 118.16 118.33 1r4y n LYS 93 Ca -0.04 -2.99 0.12 0.00 -1.05 0.00 0.00 58.31 54.35 1r4y n LYS 93 Cb 0.52 -3.06 0.26 0.00 -0.65 0.00 0.00 35.03 32.09 1r4y n LYS 93 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1r4y h PHE 94 N 5.73 0.00 0.01 5.58 -5.15 -1.94 -3.32 116.94 117.85 1r4y h PHE 94 Ca 0.53 0.00 -0.29 0.00 -0.20 0.00 0.00 57.97 58.01 1r4y h PHE 94 Cb 0.59 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 36.71 1r4y h PHE 94 CO 1.42 0.00 -1.71 0.22 -2.00 0.00 0.00 178.31 176.24 1r4y h ASP 95 N 0.00 0.04 -3.60 -0.68 1.82 -1.82 0.14 116.42 112.32 1r4y h ASP 95 Ca 0.00 -0.08 -0.65 0.00 -0.39 0.00 0.00 57.03 55.91 1r4y h ASP 95 Cb 0.81 -0.01 -0.15 0.00 0.68 0.00 0.00 39.33 40.66 1r4y h ASP 95 CO 0.00 1.07 0.18 -0.55 -1.61 0.00 0.00 179.24 178.34 1r4y s SER 96 N -6.20 6.35 0.15 2.28 0.15 -1.25 -1.23 113.70 113.96 1r4y s SER 96 Ca -0.06 -0.26 -0.17 0.00 0.70 0.00 0.00 55.95 56.17 1r4y s SER 96 Cb 0.08 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 1r4y s SER 96 CO 0.82 -0.80 1.79 0.07 1.20 0.00 0.00 173.24 176.32 1r4y h LYS 97 N 8.88 0.51 -3.41 5.44 2.10 -1.85 -3.28 116.57 124.96 1r4y h LYS 97 Ca -0.25 -0.04 -0.29 0.00 -2.00 0.00 0.00 60.65 58.07 1r4y h LYS 97 Cb 1.09 -0.11 -0.34 0.00 -0.90 0.00 0.00 32.23 31.97 1r4y h LYS 97 CO 0.91 0.36 -0.69 0.15 -2.00 0.00 0.00 179.45 178.18 1r4y s LYS 98 N -6.06 -0.01 1.17 0.07 1.02 -1.26 -3.93 119.74 110.74 1r4y s LYS 98 Ca -0.13 0.28 -0.18 0.00 0.02 0.00 0.00 55.97 55.95 1r4y s LYS 98 Cb 0.10 -0.26 0.27 0.00 -0.52 0.00 0.00 37.83 37.43 1r4y s LYS 98 CO 0.72 -0.19 1.11 -1.25 -0.92 0.00 0.00 175.35 174.82 1r4y s PRO 99 N 1.28 -0.99 0.04 -1.68 0.04 -1.26 -5.16 135.00 127.26 1r4y s PRO 99 Ca -0.07 -0.01 0.01 0.00 0.04 0.00 0.00 61.00 60.97 1r4y s PRO 99 Cb -0.12 -1.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.77 1r4y s PRO 99 CO -0.04 -3.57 -0.05 -1.59 0.04 0.00 0.00 177.00 171.79 1r4y s LYS 100 N -5.37 0.49 0.01 4.56 0.00 -1.25 -4.76 119.74 113.42 1r4y s LYS 100 Ca 0.70 -0.82 0.00 0.00 0.00 0.00 0.00 55.97 55.85 1r4y s LYS 100 Cb -0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 37.83 37.62 1r4y s LYS 100 CO 0.56 -0.02 0.09 -2.00 0.00 0.00 0.00 175.35 173.99 1r4y s GLU 101 N -2.07 3.07 -0.06 1.78 2.56 -1.26 -5.06 118.70 117.67 1r4y s GLU 101 Ca -0.08 -0.51 -0.33 0.00 0.00 0.00 0.00 54.97 54.05 1r4y s GLU 101 Cb -0.06 -2.86 -0.11 0.00 2.00 0.00 0.00 34.13 33.10 1r4y s GLU 101 CO -0.02 0.63 1.90 -1.71 -0.56 0.00 0.00 175.26 175.50 1r4y n ASN 102 N 1.02 3.62 -3.10 -1.70 5.15 -1.26 -4.97 115.26 114.02 1r4y n ASN 102 Ca -0.12 0.96 0.00 0.00 -0.60 0.00 0.00 54.58 54.82 1r4y n ASN 102 Cb 0.52 -1.41 0.00 0.00 -0.53 0.00 0.00 39.78 38.37 1r4y n ASN 102 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1r4y n PRO 103 N 6.80 0.41 -4.17 1.20 -0.04 -1.26 -5.11 135.00 132.82 1r4y n PRO 103 Ca 0.22 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.55 1r4y n PRO 103 Cb 0.32 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.70 1r4y n PRO 103 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1r4y s GLY 104 N -1.51 1.46 -0.07 0.55 0.00 -1.26 -5.07 107.32 101.41 1r4y s GLY 104 Ca 0.00 -1.62 -0.26 0.00 0.00 0.00 0.00 44.72 42.84 1r4y s GLY 104 CO 0.00 -1.26 1.01 -0.56 0.00 0.00 0.00 173.10 172.29 1r4y h PRO 105 N 2.44 -0.03 -6.81 2.90 0.13 -1.92 -3.45 132.00 125.25 1r4y h PRO 105 Ca -0.32 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.28 1r4y h PRO 105 Cb 1.25 0.01 0.08 0.00 0.13 0.00 0.00 31.00 32.47 1r4y h PRO 105 CO 0.46 0.62 0.86 0.00 -0.23 0.00 0.00 178.00 179.70 1r4y s ALA 106 N -3.42 3.71 -0.05 -0.56 0.00 -1.25 -4.27 121.76 115.93 1r4y s ALA 106 Ca -0.16 1.54 -0.17 0.00 0.00 0.00 0.00 51.96 53.16 1r4y s ALA 106 Cb -0.00 -3.63 0.03 0.00 0.00 0.00 0.00 23.12 19.52 1r4y s ALA 106 CO 0.64 -0.96 0.38 1.03 0.00 0.00 0.00 175.76 176.85 1r4y s ARG 107 N -0.69 0.69 -0.33 0.00 0.52 -0.58 -3.16 118.95 115.40 1r4y s ARG 107 Ca 0.61 0.02 -0.22 0.00 -0.52 0.00 0.00 55.73 55.61 1r4y s ARG 107 Cb -0.47 0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.32 1r4y s ARG 107 CO 0.49 -0.18 0.74 0.54 0.02 0.00 0.00 175.30 176.91 1r4y s VAL 108 N -1.02 4.81 -0.23 3.52 0.11 -0.91 -1.57 120.40 125.12 1r4y s VAL 108 Ca -0.11 0.96 -0.06 0.00 -2.93 0.00 0.00 61.98 59.84 1r4y s VAL 108 Cb -0.04 -4.13 -0.03 0.00 -1.53 0.00 0.00 36.38 30.65 1r4y s VAL 108 CO 0.04 -0.30 0.04 -0.63 -3.33 0.00 0.00 175.10 170.92 1r4y s ILE 109 N 2.92 4.12 0.02 7.04 1.09 -0.99 -2.59 121.20 132.81 1r4y s ILE 109 Ca 0.30 -0.24 -0.02 0.00 -1.10 0.00 0.00 60.65 59.58 1r4y s ILE 109 Cb -0.14 -2.90 -0.02 0.00 -1.06 0.00 0.00 42.46 38.34 1r4y s ILE 109 CO 0.14 0.38 0.02 -0.72 -0.10 0.00 0.00 174.94 174.66 1r4y s TYR 110 N 1.33 0.24 0.67 3.97 -0.85 -0.93 -1.26 117.35 120.52 1r4y s TYR 110 Ca 0.05 -0.51 -0.11 0.00 -0.52 0.00 0.00 57.07 55.98 1r4y s TYR 110 Cb -0.15 -0.18 -0.00 0.00 0.38 0.00 0.00 41.96 42.02 1r4y s TYR 110 CO 0.02 -0.25 1.06 0.95 -1.52 0.00 0.00 175.55 175.80 1r4y s THR 111 N -1.87 3.86 0.18 -3.49 -4.23 -1.25 -1.40 115.64 107.43 1r4y s THR 111 Ca -0.12 0.55 0.08 0.00 -1.18 0.00 0.00 61.69 61.02 1r4y s THR 111 Cb -0.06 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 1r4y s THR 111 CO -0.02 -0.76 -0.03 -0.47 -0.54 0.00 0.00 174.62 172.80 1r4y s TYR 112 N -3.27 2.78 -0.07 3.99 6.14 -1.09 -3.26 117.35 122.57 1r4y s TYR 112 Ca 0.57 -0.16 -0.25 0.00 0.64 0.00 0.00 57.07 57.86 1r4y s TYR 112 Cb -0.11 -1.35 -0.21 0.00 0.42 0.00 0.00 41.96 40.71 1r4y s TYR 112 CO 0.52 0.52 0.99 -1.00 0.64 0.00 0.00 175.55 177.21 1r4y h PRO 113 N 2.74 -0.04 -5.99 4.97 0.13 -1.83 -3.38 132.00 128.60 1r4y h PRO 113 Ca -0.47 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.94 1r4y h PRO 113 Cb 1.20 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1r4y h PRO 113 CO 0.57 0.60 1.37 -1.71 -0.23 0.00 0.00 178.00 178.60 1r4y n ASN 114 N -4.78 1.40 -4.24 1.44 2.85 -1.26 -4.74 115.26 105.93 1r4y n ASN 114 Ca -0.09 0.55 -0.30 0.00 -0.11 0.00 0.00 54.58 54.63 1r4y n ASN 114 Cb 0.33 -1.07 -0.08 0.00 1.24 0.00 0.00 39.78 40.19 1r4y n ASN 114 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1r4y n LYS 115 N 7.84 1.02 -1.64 1.20 5.02 -1.20 -4.28 118.16 126.12 1r4y n LYS 115 Ca 0.49 -1.98 -0.41 0.00 -2.02 0.00 0.00 58.31 54.39 1r4y n LYS 115 Cb 0.09 -3.46 -0.03 0.00 -0.02 0.00 0.00 35.03 31.61 1r4y n LYS 115 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1r4y n VAL 116 N 7.63 2.65 -0.96 -0.18 0.31 -1.22 -4.83 118.33 121.73 1r4y n VAL 116 Ca 0.45 -2.44 -0.35 0.00 -0.01 0.00 0.00 64.34 61.99 1r4y n VAL 116 Cb 0.45 -2.40 -0.09 0.00 -0.91 0.00 0.00 33.84 30.88 1r4y n VAL 116 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1r4y n PHE 117 N 8.00 0.60 0.00 3.52 7.35 -1.26 -3.95 117.46 131.72 1r4y n PHE 117 Ca 0.50 0.40 -0.21 0.00 -0.76 0.00 0.00 57.45 57.38 1r4y n PHE 117 Cb 0.41 -1.64 -0.14 0.00 0.35 0.00 0.00 39.48 38.47 1r4y n PHE 117 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1r4y n GLY 119 N 1.69 -0.42 3.08 0.00 0.00 -1.22 -4.89 105.19 103.43 1r4y n GLY 119 Ca -0.23 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.68 1r4y n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r4y s ILE 120 N -3.90 1.28 0.21 -0.61 -1.09 -1.26 -2.34 121.20 113.48 1r4y s ILE 120 Ca 0.00 -0.60 0.11 0.00 -2.23 0.00 0.00 60.65 57.93 1r4y s ILE 120 Cb 0.00 -1.12 -0.04 0.00 -1.58 0.00 0.00 42.46 39.71 1r4y s ILE 120 CO 0.00 0.38 -0.23 0.27 -1.23 0.00 0.00 174.94 174.13 1r4y s ILE 121 N 0.30 2.41 -0.24 2.92 -4.36 -0.61 0.11 121.20 121.75 1r4y s ILE 121 Ca -0.09 -2.07 -0.32 0.00 -0.26 0.00 0.00 60.65 57.91 1r4y s ILE 121 Cb -0.13 -2.18 0.16 0.00 1.25 0.00 0.00 42.46 41.57 1r4y s ILE 121 CO 0.03 -0.16 1.25 0.00 0.24 0.00 0.00 174.94 176.30 1r4y s ALA 122 N -1.80 -2.08 -0.71 2.27 0.00 -0.38 -1.52 121.76 117.53 1r4y s ALA 122 Ca 0.22 1.76 -0.21 0.00 0.00 0.00 0.00 51.96 53.73 1r4y s ALA 122 Cb -0.07 -0.88 0.09 0.00 0.00 0.00 0.00 23.12 22.26 1r4y s ALA 122 CO 0.11 -0.38 0.94 -1.01 0.00 0.00 0.00 175.76 175.41 1r4y s HIS 123 N -1.53 2.87 -0.59 0.00 0.09 -1.26 -2.78 115.29 112.09 1r4y s HIS 123 Ca 0.07 -0.87 -0.02 0.00 -0.00 0.00 0.00 55.06 54.25 1r4y s HIS 123 Cb -0.01 -4.22 0.38 0.00 -0.00 0.00 0.00 32.58 28.73 1r4y s HIS 123 CO -0.05 -1.52 2.05 -2.37 -0.00 0.00 0.00 174.74 172.86 1r4y n THR 124 N 5.70 3.42 -0.06 1.30 5.66 -1.26 -4.23 114.28 124.82 1r4y n THR 124 Ca 0.01 -2.71 -0.03 0.00 -3.05 0.00 0.00 64.05 58.28 1r4y n THR 124 Cb 0.46 -1.22 -0.12 0.00 -1.55 0.00 0.00 70.33 67.90 1r4y n THR 124 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1r4y n LYS 125 N -0.55 1.22 0.03 1.09 4.81 -1.26 -5.01 118.16 118.48 1r4y n LYS 125 Ca 0.54 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1r4y n LYS 125 Cb 0.61 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 34.27 1r4y n LYS 125 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1r4y n GLU 126 N -2.42 0.00 0.00 1.64 0.00 -1.26 -5.02 120.64 113.59 1r4y n GLU 126 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.98 1r4y n GLU 126 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.27 1r4y n GLU 126 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1r4y n ASN 127 N -2.31 0.00 -2.90 4.31 4.13 -1.26 -5.04 115.26 112.19 1r4y n ASN 127 Ca 0.00 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.17 1r4y n ASN 127 Cb 0.00 0.16 -0.01 0.00 -1.54 0.00 0.00 39.78 38.39 1r4y n ASN 127 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1r4y n GLN 128 N -1.92 0.47 0.00 3.52 7.27 -1.26 -4.80 117.38 120.65 1r4y n GLN 128 Ca 0.00 -2.29 0.00 0.00 0.07 0.00 0.00 57.00 54.78 1r4y n GLN 128 Cb 0.00 -1.51 0.00 0.00 2.41 0.00 0.00 30.24 31.14 1r4y n GLN 128 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1r4y n GLY 129 N 2.87 1.96 3.79 1.69 0.00 -1.26 -5.11 105.19 109.13 1r4y n GLY 129 Ca 0.20 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1r4y n GLY 129 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r4y s GLU 130 N 1.57 4.44 -0.00 1.61 2.02 -1.26 -4.99 118.70 122.09 1r4y s GLU 130 Ca 0.00 1.08 -0.04 0.00 0.02 0.00 0.00 54.97 56.03 1r4y s GLU 130 Cb 0.00 -2.98 -0.04 0.00 0.10 0.00 0.00 34.13 31.21 1r4y s GLU 130 CO 0.00 0.42 0.21 -1.17 0.02 0.00 0.00 175.26 174.74 1r4y s LEU 131 N -1.74 4.37 0.28 1.80 2.96 -1.26 -4.05 118.68 121.04 1r4y s LEU 131 Ca 0.43 0.42 -0.12 0.00 -0.22 0.00 0.00 54.13 54.63 1r4y s LEU 131 Cb -0.19 -2.65 0.00 0.00 0.50 0.00 0.00 46.19 43.85 1r4y s LEU 131 CO 0.23 0.25 0.53 -1.59 -1.32 0.00 0.00 176.35 174.46 1r4y s LYS 132 N -1.90 1.70 0.15 1.98 -2.85 -1.12 -4.98 119.74 112.72 1r4y s LYS 132 Ca 0.28 -1.33 -0.23 0.00 -1.00 0.00 0.00 55.97 53.69 1r4y s LYS 132 Cb -0.13 0.50 -0.08 0.00 -2.06 0.00 0.00 37.83 36.06 1r4y s LYS 132 CO 0.18 -0.73 0.72 -1.17 0.10 0.00 0.00 175.35 174.45 1r4y s LEU 133 N -3.05 4.54 0.00 2.77 2.96 -1.26 -1.25 118.68 123.39 1r4y s LEU 133 Ca 0.22 1.52 -0.18 0.00 -0.22 0.00 0.00 54.13 55.47 1r4y s LEU 133 Cb -0.02 -3.24 0.27 0.00 0.50 0.00 0.00 46.19 43.71 1r4y s LEU 133 CO 0.11 0.20 0.92 0.00 -1.32 0.00 0.00 176.35 176.26 1r4y s SER 135 N -3.93 1.29 0.00 0.00 0.01 -1.01 -4.87 113.70 105.19 1r4y s SER 135 Ca 0.61 -0.63 0.09 0.00 1.31 0.00 0.00 55.95 57.33 1r4y s SER 135 Cb -0.06 0.68 0.55 0.00 0.21 0.00 0.00 66.02 67.40 1r4y s SER 135 CO 0.47 -0.38 1.00 0.00 0.41 0.00 0.00 173.24 174.74