#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4y s VAL 2 N 0.00 5.22 -0.25 0.00 0.11 -1.26 -5.01 120.40 119.21 1r4y s VAL 2 Ca 0.00 0.79 -0.24 0.00 -2.93 0.00 0.00 61.98 59.60 1r4y s VAL 2 Cb 0.00 -3.75 -0.01 0.00 -1.53 0.00 0.00 36.38 31.09 1r4y s VAL 2 CO 0.00 0.31 0.80 -0.89 -3.33 0.00 0.00 175.10 171.99 1r4y s THR 3 N 0.82 4.85 0.26 5.04 2.01 -1.26 -3.07 115.64 124.29 1r4y s THR 3 Ca 0.22 1.47 -0.28 0.00 0.31 0.00 0.00 61.69 63.40 1r4y s THR 3 Cb -0.14 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 68.18 1r4y s THR 3 CO 0.08 -0.08 0.92 0.26 -0.69 0.00 0.00 174.62 175.11 1r4y s TRP 4 N 2.81 3.89 -0.01 4.92 0.52 0.64 -4.39 118.94 127.32 1r4y s TRP 4 Ca 0.33 1.85 -0.01 0.00 0.02 0.00 0.00 56.10 58.29 1r4y s TRP 4 Cb -0.15 -2.94 -0.00 0.00 -1.15 0.00 0.00 33.47 29.23 1r4y s TRP 4 CO 0.08 0.39 0.03 0.99 0.02 0.00 0.00 176.95 178.46 1r4y s THR 5 N -1.32 0.03 -0.44 2.01 2.01 -1.26 0.81 115.64 117.47 1r4y s THR 5 Ca 0.43 -0.22 0.05 0.00 0.31 0.00 0.00 61.69 62.27 1r4y s THR 5 Cb -0.23 -0.12 0.42 0.00 0.01 0.00 0.00 72.50 72.57 1r4y s THR 5 CO 0.29 -0.12 1.10 0.00 -0.69 0.00 0.00 174.62 175.20 1r4y n GLY 7 N -0.46 -0.96 0.00 0.00 0.00 -1.26 -4.70 105.19 97.80 1r4y n GLY 7 Ca 0.38 0.80 0.00 0.00 0.00 0.00 0.00 46.02 47.20 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 -1.15 -1.41 3.38 -0.02 0.00 -1.26 -4.96 105.19 99.78 1r4y n GLY 8 Ca -0.13 0.51 -0.22 0.00 0.00 0.00 0.00 46.02 46.18 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 2.52 0.67 0.99 1.43 -1.26 -5.15 118.68 117.88 1r4y s LEU 9 Ca 0.00 -0.97 -0.09 0.00 -1.03 0.00 0.00 54.13 52.05 1r4y s LEU 9 Cb 0.00 -0.87 0.02 0.00 0.03 0.00 0.00 46.19 45.37 1r4y s LEU 9 CO 0.00 -0.05 1.02 -0.76 0.23 0.00 0.00 176.35 176.79 1r4y s LEU 10 N -3.13 2.99 -0.46 1.79 1.02 -1.26 -3.67 118.68 115.96 1r4y s LEU 10 Ca 0.22 0.87 0.07 0.00 0.02 0.00 0.00 54.13 55.32 1r4y s LEU 10 Cb -0.04 -3.63 0.18 0.00 0.02 0.00 0.00 46.19 42.72 1r4y s LEU 10 CO 0.09 -1.31 0.66 -0.31 0.02 0.00 0.00 176.35 175.50 1r4y s TYR 11 N -3.22 -1.57 0.00 0.29 2.02 0.24 -4.21 117.35 110.89 1r4y s TYR 11 Ca 0.57 -0.19 -0.32 0.00 -0.37 0.00 0.00 57.07 56.76 1r4y s TYR 11 Cb -0.11 0.27 -0.11 0.00 -0.40 0.00 0.00 41.96 41.61 1r4y s TYR 11 CO 0.48 -1.21 1.89 -1.71 -1.57 0.00 0.00 175.55 173.43 1r4y n ASN 12 N 3.75 3.76 -0.27 2.29 5.15 -1.26 -0.26 115.26 128.43 1r4y n ASN 12 Ca 0.14 0.96 -0.09 0.00 -0.60 0.00 0.00 54.58 54.99 1r4y n ASN 12 Cb 0.56 -1.45 -0.06 0.00 -0.53 0.00 0.00 39.78 38.30 1r4y n ASN 12 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 1r4y h GLN 13 N 9.39 -0.17 -0.83 1.20 4.15 -1.89 0.52 115.11 127.47 1r4y h GLN 13 Ca -0.48 0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.15 1r4y h GLN 13 Cb 1.25 0.04 -0.14 0.00 0.21 0.00 0.00 27.48 28.84 1r4y h GLN 13 CO 0.94 -0.12 0.05 -0.97 -1.93 0.00 0.00 178.83 176.80 1r4y h ASN 14 N -0.18 -0.32 -0.15 -0.69 -1.24 -1.89 0.74 115.58 111.85 1r4y h ASN 14 Ca 0.17 0.21 -0.01 0.00 0.71 0.00 0.00 56.30 57.39 1r4y h ASN 14 Cb 0.54 0.36 -0.01 0.00 0.73 0.00 0.00 38.32 39.94 1r4y h ASN 14 CO -0.77 -0.21 0.07 0.50 -1.29 0.00 0.00 177.43 175.74 1r4y h LYS 15 N 0.11 0.22 0.02 6.67 3.64 -0.50 0.31 116.57 127.03 1r4y h LYS 15 Ca 0.48 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1r4y h LYS 15 Cb 0.89 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1r4y h LYS 15 CO -0.72 0.26 -0.10 0.00 -2.27 0.00 0.00 179.45 176.63 1r4y h ALA 16 N 0.94 -0.63 -0.58 5.00 0.00 0.35 0.72 119.26 125.06 1r4y h ALA 16 Ca 0.05 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.05 1r4y h ALA 16 Cb 0.12 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1r4y h ALA 16 CO -0.01 -0.66 0.39 1.05 0.00 0.00 0.00 179.25 180.03 1r4y h GLU 17 N -0.14 0.31 0.23 0.00 4.11 -0.71 -2.17 114.58 116.22 1r4y h GLU 17 Ca -0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 1r4y h GLU 17 Cb 0.14 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1r4y h GLU 17 CO -0.05 0.21 -0.11 1.03 0.07 0.00 0.00 179.01 180.15 1r4y h SER 18 N 0.32 -0.26 -1.06 3.06 0.87 0.09 0.37 113.55 116.94 1r4y h SER 18 Ca 0.27 -0.24 0.30 0.00 -1.23 0.00 0.00 61.79 60.89 1r4y h SER 18 Cb 0.63 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.62 1r4y h SER 18 CO -0.07 0.14 0.76 -1.13 -0.53 0.00 0.00 176.83 176.00 1r4y h ASN 19 N -0.71 0.04 0.69 6.23 -0.00 0.11 0.71 115.58 122.65 1r4y h ASN 19 Ca -0.03 0.01 -0.25 0.00 -0.00 0.00 0.00 56.30 56.03 1r4y h ASN 19 Cb 0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 38.77 1r4y h ASN 19 CO 0.05 0.01 -1.44 0.77 -0.00 0.00 0.00 177.43 176.83 1r4y h SER 20 N 0.04 0.00 -0.80 1.15 4.64 -1.00 -3.00 113.55 114.58 1r4y h SER 20 Ca 0.51 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.94 1r4y h SER 20 Cb 1.98 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.99 1r4y h SER 20 CO -0.03 0.94 0.43 0.45 -0.87 0.00 0.00 176.83 177.74 1r4y h HIS 21 N 0.00 0.76 0.03 4.77 3.86 0.47 -2.78 115.15 122.26 1r4y h HIS 21 Ca -0.19 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.02 1r4y h HIS 21 Cb 1.88 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 30.13 1r4y h HIS 21 CO 0.00 0.27 -0.16 0.45 0.86 0.00 0.00 177.93 179.35 1r4y h HIS 22 N 0.69 0.11 -1.04 2.45 3.86 -1.56 -3.46 115.15 116.20 1r4y h HIS 22 Ca 0.40 -0.08 -0.71 0.00 -1.16 0.00 0.00 60.37 58.82 1r4y h HIS 22 Cb 0.44 -0.01 0.09 0.00 1.06 0.00 0.00 27.41 29.00 1r4y h HIS 22 CO -0.08 1.04 -0.28 0.00 0.86 0.00 0.00 177.93 179.47 1r4y n ALA 23 N -2.61 -3.08 -2.33 2.45 0.00 -1.05 -4.82 120.51 109.06 1r4y n ALA 23 Ca -0.11 0.50 -0.43 0.00 0.00 0.00 0.00 53.44 53.41 1r4y n ALA 23 Cb 0.54 -1.68 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 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 -0.61 4.26 -0.63 0.00 0.04 -1.26 -4.91 135.00 131.89 1r4y s PRO 24 Ca 0.74 1.80 -0.26 0.00 0.04 0.00 0.00 61.00 63.33 1r4y s PRO 24 Cb -1.05 -3.71 -0.10 0.00 0.04 0.00 0.00 34.50 29.68 1r4y s PRO 24 CO 0.56 -0.64 2.41 -1.17 0.04 0.00 0.00 177.00 178.20 1r4y s LEU 25 N 3.07 3.16 0.00 -3.56 2.96 -1.26 -4.57 118.68 118.48 1r4y s LEU 25 Ca 0.60 0.61 0.00 0.00 -0.22 0.00 0.00 54.13 55.11 1r4y s LEU 25 Cb -0.26 -2.52 0.00 0.00 0.50 0.00 0.00 46.19 43.91 1r4y s LEU 25 CO 0.21 -3.34 0.00 -1.20 -1.32 0.00 0.00 176.35 170.70 1r4y n SER 26 N 17.18 0.00 -4.42 3.68 7.64 -1.26 -5.08 113.62 131.36 1r4y n SER 26 Ca 0.41 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.89 1r4y n SER 26 Cb 0.50 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.58 1r4y n SER 26 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1r4y s ASP 27 N 0.00 5.74 -0.92 6.43 2.15 -1.26 -4.16 116.67 124.65 1r4y s ASP 27 Ca 0.00 -0.77 -0.05 0.00 0.43 0.00 0.00 52.55 52.16 1r4y s ASP 27 Cb 0.00 -2.04 -0.03 0.00 -0.30 0.00 0.00 42.92 40.55 1r4y s ASP 27 CO 0.00 -0.31 0.80 0.61 -0.17 0.00 0.00 175.17 176.10 1r4y n GLY 28 N 5.02 -1.19 0.11 2.66 0.00 -0.69 -4.05 105.19 107.06 1r4y n GLY 28 Ca -0.12 0.53 0.01 0.00 0.00 0.00 0.00 46.02 46.43 1r4y n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r4y n LYS 29 N -2.69 0.69 -4.47 1.61 4.81 -1.23 -4.90 118.16 111.98 1r4y n LYS 29 Ca -0.05 -0.97 -0.31 0.00 -0.87 0.00 0.00 58.31 56.10 1r4y n LYS 29 Cb 0.57 -0.68 -0.11 0.00 0.02 0.00 0.00 35.03 34.83 1r4y n LYS 29 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1r4y s THR 30 N -0.43 3.33 0.26 3.15 -4.23 -1.24 -5.00 115.64 111.48 1r4y s THR 30 Ca 0.03 -1.01 -0.06 0.00 -1.18 0.00 0.00 61.69 59.46 1r4y s THR 30 Cb 0.02 -2.46 0.42 0.00 1.34 0.00 0.00 72.50 71.82 1r4y s THR 30 CO 0.00 0.31 1.44 0.61 -0.54 0.00 0.00 174.62 176.44 1r4y n GLY 31 N 1.36 -1.51 0.18 3.99 0.00 -1.14 -1.36 105.19 106.70 1r4y n GLY 31 Ca -0.15 0.98 -0.06 0.00 0.00 0.00 0.00 46.02 46.79 1r4y n GLY 31 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1r4y h SER 32 N 0.00 -0.31 0.00 1.61 0.87 -1.49 -3.35 113.55 110.88 1r4y h SER 32 Ca 0.46 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 1r4y h SER 32 Cb 0.73 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1r4y h SER 32 CO -0.94 0.11 0.00 -1.20 -0.53 0.00 0.00 176.83 174.27 1r4y n SER 33 N -4.83 0.00 -4.73 6.23 7.64 -0.46 -5.02 113.62 112.45 1r4y n SER 33 Ca -0.05 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.44 1r4y n SER 33 Cb 0.15 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.38 1r4y n SER 33 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1r4y n TYR 34 N 0.00 2.16 -2.17 1.43 4.02 -1.26 -3.47 117.16 117.86 1r4y n TYR 34 Ca 0.00 0.44 -0.33 0.00 -0.01 0.00 0.00 57.90 58.00 1r4y n TYR 34 Cb 0.00 -2.35 -0.00 0.00 -0.02 0.00 0.00 39.34 36.97 1r4y n TYR 34 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1r4y s PRO 35 N -2.74 3.43 0.10 -0.72 0.04 -1.26 -4.59 135.00 129.27 1r4y s PRO 35 Ca 0.70 1.26 0.04 0.00 0.04 0.00 0.00 61.00 63.04 1r4y s PRO 35 Cb -0.43 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 1r4y s PRO 35 CO 0.51 -0.72 -0.11 -3.38 0.04 0.00 0.00 177.00 173.33 1r4y s HIS 36 N -2.32 1.17 0.42 0.56 -3.43 -1.10 -1.70 115.29 108.89 1r4y s HIS 36 Ca 0.65 -0.62 -0.23 0.00 -0.80 0.00 0.00 55.06 54.06 1r4y s HIS 36 Cb -0.16 -0.63 -0.12 0.00 -1.43 0.00 0.00 32.58 30.24 1r4y s HIS 36 CO 0.33 0.05 0.75 1.87 -2.00 0.00 0.00 174.74 175.73 1r4y n TRP 37 N 0.58 0.23 -3.76 0.38 -0.00 -1.26 -2.10 117.44 111.51 1r4y n TRP 37 Ca -0.16 0.59 -0.33 0.00 -0.00 0.00 0.00 57.50 57.61 1r4y n TRP 37 Cb 0.57 -2.09 -0.09 0.00 -0.00 0.00 0.00 31.31 29.70 1r4y n TRP 37 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 177.69 177.81 1r4y s PHE 38 N -1.37 3.73 0.47 5.87 5.36 0.25 -4.66 117.98 127.62 1r4y s PHE 38 Ca 0.64 -3.16 0.39 0.00 -0.96 0.00 0.00 56.93 53.84 1r4y s PHE 38 Cb -0.59 -3.00 1.51 0.00 -0.34 0.00 0.00 43.02 40.59 1r4y s PHE 38 CO 0.57 -0.66 1.45 0.25 -1.46 0.00 0.00 175.22 175.37 1r4y n THR 39 N 2.24 -0.11 -1.61 0.12 -2.24 -1.26 -4.37 114.28 107.04 1r4y n THR 39 Ca 0.20 1.52 -0.13 0.00 -2.27 0.00 0.00 64.05 63.37 1r4y n THR 39 Cb 0.36 -2.52 -0.04 0.00 -2.10 0.00 0.00 70.33 66.03 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 -4.15 -3.51 0.00 3.42 5.15 -1.26 0.62 115.26 115.52 1r4y n ASN 40 Ca 0.40 0.29 0.00 0.00 -0.60 0.00 0.00 54.58 54.66 1r4y n ASN 40 Cb 1.68 -3.22 0.00 0.00 -0.53 0.00 0.00 39.78 37.71 1r4y n ASN 40 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1r4y n GLY 41 N -0.37 3.10 3.31 8.20 0.00 -1.26 -4.44 105.19 113.73 1r4y n GLY 41 Ca -0.13 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 1r4y n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1r4y n TYR 42 N 0.00 -2.26 0.07 1.61 4.01 0.20 -4.47 117.16 116.32 1r4y n TYR 42 Ca 0.00 0.31 -0.23 0.00 -0.16 0.00 0.00 57.90 57.82 1r4y n TYR 42 Cb 0.00 -1.76 -0.15 0.00 -0.31 0.00 0.00 39.34 37.13 1r4y n TYR 42 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1r4y h ASP 43 N -0.38 0.60 0.00 7.72 3.32 -1.77 -3.44 116.42 122.48 1r4y h ASP 43 Ca -0.44 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 55.68 1r4y h ASP 43 Cb 1.37 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1r4y h ASP 43 CO 0.39 1.78 0.00 0.61 -1.72 0.00 0.00 179.24 180.30 1r4y n GLY 44 N 1.86 -1.83 1.10 2.75 0.00 -1.26 -5.05 105.19 102.75 1r4y n GLY 44 Ca -0.25 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.76 0.92 -3.53 1.61 9.92 -1.26 -3.11 116.55 118.34 1r4y n ASP 45 Ca 0.00 0.14 -0.18 0.00 -0.53 0.00 0.00 54.79 54.23 1r4y n ASP 45 Cb 0.00 -0.26 0.16 0.00 -0.64 0.00 0.00 41.12 40.37 1r4y n ASP 45 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r4y n GLY 46 N 3.39 -2.57 0.38 0.44 0.00 -1.26 -3.53 105.19 102.04 1r4y n GLY 46 Ca 0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 46.02 45.10 1r4y n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r4y n LYS 47 N -2.09 -1.36 -1.82 1.61 5.02 -1.26 -4.38 118.16 113.88 1r4y n LYS 47 Ca 0.07 -0.19 -0.33 0.00 -2.02 0.00 0.00 58.31 55.84 1r4y n LYS 47 Cb 0.34 -0.18 0.04 0.00 -0.02 0.00 0.00 35.03 35.21 1r4y n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1r4y s LEU 48 N 0.00 3.43 0.63 -0.35 1.02 -1.26 -3.97 118.68 118.19 1r4y s LEU 48 Ca 0.08 2.01 -0.14 0.00 0.02 0.00 0.00 54.13 56.10 1r4y s LEU 48 Cb -0.01 -4.55 -0.02 0.00 0.02 0.00 0.00 46.19 41.63 1r4y s LEU 48 CO 0.06 -1.57 1.06 -2.16 0.02 0.00 0.00 176.35 173.76 1r4y s PRO 49 N -4.02 3.13 -0.68 1.29 0.04 -1.26 -4.87 135.00 128.63 1r4y s PRO 49 Ca 0.67 1.14 -0.26 0.00 0.04 0.00 0.00 61.00 62.59 1r4y s PRO 49 Cb -0.21 -2.01 -0.13 0.00 0.04 0.00 0.00 34.50 32.19 1r4y s PRO 49 CO 0.40 -0.95 2.47 1.17 0.04 0.00 0.00 177.00 180.13 1r4y n LYS 50 N -2.44 0.66 0.00 4.56 0.00 -1.26 -3.55 118.16 116.14 1r4y n LYS 50 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 58.31 58.27 1r4y n LYS 50 Cb 0.53 -2.88 0.00 0.00 0.00 0.00 0.00 35.03 32.68 1r4y n LYS 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1r4y n GLY 51 N 6.21 0.77 3.61 3.14 0.00 -1.26 -5.17 105.19 112.48 1r4y n GLY 51 Ca 0.47 -0.63 -0.01 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 -0.35 0.21 -0.16 1.61 3.52 -1.23 -5.15 118.95 117.39 1r4y s ARG 52 Ca 0.00 -0.09 -0.03 0.00 -0.13 0.00 0.00 55.73 55.47 1r4y s ARG 52 Cb 0.00 0.08 0.05 0.00 -1.56 0.00 0.00 34.95 33.53 1r4y s ARG 52 CO 0.00 -0.09 0.05 0.99 -0.81 0.00 0.00 175.30 175.44 1r4y s THR 53 N -2.25 0.24 0.86 4.11 2.01 -1.26 -5.00 115.64 114.34 1r4y s THR 53 Ca 0.12 -0.27 -0.12 0.00 0.31 0.00 0.00 61.69 61.74 1r4y s THR 53 Cb 0.02 -0.75 0.10 0.00 0.01 0.00 0.00 72.50 71.89 1r4y s THR 53 CO -0.04 -0.16 1.10 -2.16 -0.69 0.00 0.00 174.62 172.67 1r4y s PRO 54 N 2.00 1.60 -0.26 4.92 0.04 -1.26 -4.93 135.00 137.11 1r4y s PRO 54 Ca 0.01 0.65 -0.21 0.00 0.04 0.00 0.00 61.00 61.49 1r4y s PRO 54 Cb -0.16 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 1r4y s PRO 54 CO -0.08 -1.96 0.67 0.42 0.04 0.00 0.00 177.00 176.09 1r4y s ILE 55 N -3.09 4.94 0.02 0.56 1.01 -1.26 -5.03 121.20 118.36 1r4y s ILE 55 Ca 0.62 1.17 -0.27 0.00 0.00 0.00 0.00 60.65 62.17 1r4y s ILE 55 Cb -0.16 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 1r4y s ILE 55 CO 0.55 -0.03 0.85 -0.75 0.00 0.00 0.00 174.94 175.57 1r4y s LYS 56 N 2.60 4.54 -0.03 2.79 2.47 -1.26 -4.92 119.74 125.93 1r4y s LYS 56 Ca 0.28 1.21 -0.02 0.00 -1.56 0.00 0.00 55.97 55.88 1r4y s LYS 56 Cb -0.15 -3.41 -0.01 0.00 -1.46 0.00 0.00 37.83 32.79 1r4y s LYS 56 CO 0.09 0.13 -0.04 1.19 0.16 0.00 0.00 175.35 176.88 1r4y n PHE 57 N 3.30 0.00 0.00 4.03 3.72 -1.26 -4.84 117.46 122.41 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 0.50 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 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 2.80 0.71 3.82 1.37 0.00 -1.26 -5.11 105.19 107.51 1r4y n GLY 58 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 3.23 0.00 1.61 -0.14 -1.26 -4.98 119.74 118.20 1r4y s LYS 59 Ca 0.00 -0.34 0.30 0.00 -1.36 0.00 0.00 55.97 54.56 1r4y s LYS 59 Cb 0.00 -2.99 1.72 0.00 -1.68 0.00 0.00 37.83 34.89 1r4y s LYS 59 CO 0.00 0.70 2.10 0.45 -0.76 0.00 0.00 175.35 177.84 1r4y n SER 60 N 1.49 0.00 -0.07 2.83 2.88 -1.26 -1.93 113.62 117.56 1r4y n SER 60 Ca -0.15 -0.76 -0.08 0.00 -1.33 0.00 0.00 58.87 56.55 1r4y n SER 60 Cb 0.53 -0.06 -0.04 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.00 0.85 -3.46 5.19 -1.94 -2.90 116.42 114.16 1r4y h ASP 61 Ca 0.00 -0.15 -0.08 0.00 -0.62 0.00 0.00 57.03 56.18 1r4y h ASP 61 Cb 0.06 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 1r4y h ASP 61 CO 0.00 0.88 -0.40 0.00 -3.12 0.00 0.00 179.24 176.60 1r4y h ASP 63 N 0.00 0.43 -4.18 0.00 1.82 -1.56 -3.45 116.42 109.49 1r4y h ASP 63 Ca -0.00 -0.23 -0.51 0.00 -0.39 0.00 0.00 57.03 55.89 1r4y h ASP 63 Cb 0.93 -0.12 0.20 0.00 0.68 0.00 0.00 39.33 41.02 1r4y h ASP 63 CO 0.05 0.91 0.20 -2.11 -1.61 0.00 0.00 179.24 176.68 1r4y n ARG 64 N -3.93 -0.65 -2.49 0.28 1.85 -0.97 -4.97 116.66 105.78 1r4y n ARG 64 Ca -0.03 -0.13 -0.39 0.00 -1.00 0.00 0.00 57.85 56.30 1r4y n ARG 64 Cb 0.60 -2.36 -0.04 0.00 -1.05 0.00 0.00 32.46 29.61 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 -4.62 4.53 0.89 2.89 0.04 -1.26 -4.96 135.00 132.51 1r4y s PRO 65 Ca 0.67 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 63.33 1r4y s PRO 65 Cb -0.23 -3.05 0.13 0.00 0.04 0.00 0.00 34.50 31.39 1r4y s PRO 65 CO 0.59 0.13 1.11 -1.25 0.04 0.00 0.00 177.00 177.62 1r4y s PRO 66 N -1.67 1.31 -0.44 0.56 0.04 -1.23 -4.81 135.00 128.75 1r4y s PRO 66 Ca 0.47 0.48 0.09 0.00 0.04 0.00 0.00 61.00 62.09 1r4y s PRO 66 Cb -0.30 -1.84 0.34 0.00 0.04 0.00 0.00 34.50 32.74 1r4y s PRO 66 CO 0.38 -2.12 0.79 1.63 0.04 0.00 0.00 177.00 177.72 1r4y n LYS 67 N -3.75 1.73 -2.52 4.56 4.76 -1.26 -4.46 118.16 117.22 1r4y n LYS 67 Ca 0.06 -3.88 -0.37 0.00 -2.87 0.00 0.00 58.31 51.26 1r4y n LYS 67 Cb 0.58 -1.87 -0.04 0.00 -1.84 0.00 0.00 35.03 31.86 1r4y n LYS 67 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1r4y s HIS 68 N -2.72 3.26 0.00 2.13 5.65 -1.18 -4.09 115.29 118.34 1r4y s HIS 68 Ca 0.43 1.64 0.00 0.00 0.25 0.00 0.00 55.06 57.38 1r4y s HIS 68 Cb 0.32 -3.16 0.00 0.00 -1.18 0.00 0.00 32.58 28.56 1r4y s HIS 68 CO -0.10 -0.68 0.00 0.43 -0.65 0.00 0.00 174.74 173.74 1r4y n SER 69 N -0.01 0.00 -2.51 9.88 7.64 -1.21 -4.62 113.62 122.79 1r4y n SER 69 Ca 0.05 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.89 1r4y n SER 69 Cb 0.49 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.72 1r4y n SER 69 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1r4y n LYS 70 N -0.47 -0.94 -0.52 1.43 4.76 -1.26 -4.85 118.16 116.30 1r4y n LYS 70 Ca 0.00 -0.20 -0.02 0.00 -2.87 0.00 0.00 58.31 55.22 1r4y n LYS 70 Cb 0.00 -0.17 -0.03 0.00 -1.84 0.00 0.00 35.03 32.99 1r4y n LYS 70 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1r4y n ASP 71 N -3.17 4.79 0.00 4.39 -0.08 -1.26 -4.54 116.55 116.68 1r4y n ASP 71 Ca 0.02 -2.29 0.00 0.00 -1.51 0.00 0.00 54.79 51.01 1r4y n ASP 71 Cb 0.06 -1.06 0.00 0.00 2.34 0.00 0.00 41.12 42.47 1r4y n ASP 71 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1r4y n GLY 72 N 1.72 -0.45 0.00 0.27 0.00 -1.26 -4.74 105.19 100.73 1r4y n GLY 72 Ca 0.06 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 0.00 0.00 0.00 1.61 6.94 -1.26 -4.45 115.26 118.10 1r4y n ASN 73 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1r4y n ASN 73 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 4.18 0.16 0.00 4.83 0.00 -1.26 -3.34 105.19 109.75 1r4y n GLY 74 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.82 1.61 5.02 -1.26 -4.49 118.16 118.22 1r4y n LYS 75 Ca 0.00 0.01 0.05 0.00 -2.02 0.00 0.00 58.31 56.36 1r4y n LYS 75 Cb 0.00 -0.52 0.13 0.00 -0.02 0.00 0.00 35.03 34.62 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 -0.03 1.38 -0.75 -0.18 5.66 -1.26 -5.05 114.28 114.04 1r4y n THR 76 Ca 0.00 -2.29 -0.18 0.00 -3.05 0.00 0.00 64.05 58.53 1r4y n THR 76 Cb 0.00 0.18 -0.08 0.00 -1.55 0.00 0.00 70.33 68.88 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 -0.59 -0.05 -0.74 1.09 -0.08 -1.26 -4.69 116.55 110.22 1r4y n ASP 77 Ca 0.14 0.01 0.03 0.00 -1.51 0.00 0.00 54.79 53.46 1r4y n ASP 77 Cb 0.83 -0.42 0.13 0.00 2.34 0.00 0.00 41.12 44.00 1r4y n ASP 77 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1r4y n HIS 78 N 4.70 0.54 -0.55 -0.67 1.44 -1.26 -4.63 115.22 114.80 1r4y n HIS 78 Ca 0.33 -0.21 -0.27 0.00 -2.01 0.00 0.00 57.72 55.56 1r4y n HIS 78 Cb 0.03 -0.13 0.19 0.00 0.12 0.00 0.00 29.99 30.20 1r4y n HIS 78 CO 0.00 0.00 0.00 2.48 -2.81 0.00 0.00 176.34 176.01 1r4y n TYR 79 N 0.24 -2.04 -3.50 -1.40 4.11 -1.26 -3.73 117.16 109.57 1r4y n TYR 79 Ca 0.09 -0.06 -0.25 0.00 -0.00 0.00 0.00 57.90 57.67 1r4y n TYR 79 Cb 0.41 -1.48 -0.02 0.00 -0.00 0.00 0.00 39.34 38.25 1r4y n TYR 79 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1r4y s LEU 80 N -2.15 4.10 -0.20 -3.48 1.43 -1.26 -1.50 118.68 115.62 1r4y s LEU 80 Ca 0.52 0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 54.03 1r4y s LEU 80 Cb -0.11 -3.27 0.08 0.00 0.03 0.00 0.00 46.19 42.92 1r4y s LEU 80 CO 0.54 -0.19 0.17 -0.76 0.23 0.00 0.00 176.35 176.34 1r4y s LEU 81 N -3.90 0.10 0.42 1.79 1.02 -0.61 0.87 118.68 118.37 1r4y s LEU 81 Ca 0.40 -0.48 -0.19 0.00 0.02 0.00 0.00 54.13 53.87 1r4y s LEU 81 Cb -0.10 0.11 -0.10 0.00 0.02 0.00 0.00 46.19 46.12 1r4y s LEU 81 CO 0.33 -0.35 0.92 -1.83 0.02 0.00 0.00 176.35 175.44 1r4y s GLU 82 N 2.24 4.16 -0.02 1.70 1.03 -0.89 -3.89 118.70 123.03 1r4y s GLU 82 Ca 0.05 1.03 -0.01 0.00 0.03 0.00 0.00 54.97 56.07 1r4y s GLU 82 Cb -0.16 -2.21 0.01 0.00 -0.80 0.00 0.00 34.13 30.97 1r4y s GLU 82 CO -0.14 -0.03 0.05 0.12 -1.33 0.00 0.00 175.26 173.92 1r4y s PHE 83 N -2.21 -0.04 -0.90 4.83 5.36 -0.89 -2.73 117.98 121.40 1r4y s PHE 83 Ca 0.60 0.15 -0.24 0.00 -0.96 0.00 0.00 56.93 56.48 1r4y s PHE 83 Cb -0.09 -0.04 -0.01 0.00 -0.34 0.00 0.00 43.02 42.54 1r4y s PHE 83 CO 0.16 -0.05 1.72 -1.25 -1.46 0.00 0.00 175.22 174.34 1r4y s PRO 84 N 0.35 2.96 -0.44 10.12 0.04 -1.26 -0.31 135.00 146.46 1r4y s PRO 84 Ca -0.03 -0.48 -0.18 0.00 0.04 0.00 0.00 61.00 60.36 1r4y s PRO 84 Cb -0.04 -5.03 0.03 0.00 0.04 0.00 0.00 34.50 29.50 1r4y s PRO 84 CO -0.01 -2.82 0.51 -0.08 0.04 0.00 0.00 177.00 174.63 1r4y s THR 85 N 7.92 5.01 0.56 1.26 -1.32 -1.25 -4.86 115.64 122.94 1r4y s THR 85 Ca 0.59 -0.31 -0.10 0.00 -1.21 0.00 0.00 61.69 60.66 1r4y s THR 85 Cb -0.05 -4.12 -0.04 0.00 -1.51 0.00 0.00 72.50 66.78 1r4y s THR 85 CO -0.01 -0.53 0.94 -0.36 -2.21 0.00 0.00 174.62 172.46 1r4y s PHE 86 N 2.33 3.58 0.05 9.09 0.08 -1.26 -4.81 117.98 127.05 1r4y s PHE 86 Ca 0.14 1.16 -0.15 0.00 0.12 0.00 0.00 56.93 58.20 1r4y s PHE 86 Cb -0.17 -2.59 -0.25 0.00 -0.57 0.00 0.00 43.02 39.43 1r4y s PHE 86 CO 0.14 -0.50 1.14 -1.00 -0.10 0.00 0.00 175.22 174.90 1r4y h PRO 87 N 0.06 0.63 -1.60 0.24 0.13 -1.96 -3.19 132.00 126.32 1r4y h PRO 87 Ca -0.45 -0.73 0.48 0.00 -0.87 0.00 0.00 66.00 64.43 1r4y h PRO 87 Cb 1.19 0.22 -0.09 0.00 0.13 0.00 0.00 31.00 32.45 1r4y h PRO 87 CO 0.62 1.31 1.11 -0.44 -0.23 0.00 0.00 178.00 180.37 1r4y h ASP 88 N 0.27 0.09 0.00 1.44 5.19 -1.95 -3.44 116.42 118.02 1r4y h ASP 88 Ca -0.14 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1r4y h ASP 88 Cb 1.71 0.04 0.00 0.00 0.18 0.00 0.00 39.33 41.26 1r4y h ASP 88 CO 0.20 -0.06 0.00 0.61 -3.12 0.00 0.00 179.24 176.87 1r4y n GLY 89 N -1.75 0.68 3.71 2.75 0.00 -1.21 -5.02 105.19 104.35 1r4y n GLY 89 Ca 0.38 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 1r4y n GLY 89 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1r4y s HIS 90 N -2.00 3.66 -0.86 1.61 -3.43 -1.26 -4.94 115.29 108.07 1r4y s HIS 90 Ca 0.00 1.65 -0.26 0.00 -0.80 0.00 0.00 55.06 55.65 1r4y s HIS 90 Cb 0.00 -3.08 -0.13 0.00 -1.43 0.00 0.00 32.58 27.94 1r4y s HIS 90 CO 0.00 0.02 2.28 0.34 -2.00 0.00 0.00 174.74 175.37 1r4y s ASP 91 N 0.91 4.07 0.33 7.38 2.15 -1.26 -4.77 116.67 125.48 1r4y s ASP 91 Ca 0.50 -0.27 -0.17 0.00 0.43 0.00 0.00 52.55 53.04 1r4y s ASP 91 Cb -0.21 -2.56 -0.13 0.00 -0.30 0.00 0.00 42.92 39.72 1r4y s ASP 91 CO 0.27 -3.79 0.07 0.00 -0.17 0.00 0.00 175.17 171.56 1r4y n TYR 92 N 17.90 -1.72 -1.20 -5.34 9.36 -1.26 -4.73 117.16 130.17 1r4y n TYR 92 Ca 0.45 0.52 -0.34 0.00 3.32 0.00 0.00 57.90 61.85 1r4y n TYR 92 Cb 0.44 -1.46 -0.04 0.00 -0.63 0.00 0.00 39.34 37.65 1r4y n TYR 92 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1r4y n LYS 93 N 1.10 3.30 0.00 2.98 2.85 -1.26 -4.45 118.16 122.67 1r4y n LYS 93 Ca 0.09 -1.96 0.14 0.00 -1.05 0.00 0.00 58.31 55.53 1r4y n LYS 93 Cb 0.33 -2.66 0.64 0.00 -0.65 0.00 0.00 35.03 32.69 1r4y n LYS 93 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1r4y n PHE 94 N 3.53 0.00 -0.03 5.58 1.16 -1.26 -3.36 117.46 123.08 1r4y n PHE 94 Ca 0.70 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 56.16 1r4y n PHE 94 Cb 0.29 -0.44 -0.14 0.00 -1.61 0.00 0.00 39.48 37.58 1r4y n PHE 94 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 1r4y n ASP 95 N -1.44 1.12 -4.60 5.98 -0.08 -1.26 -1.90 116.55 114.36 1r4y n ASP 95 Ca 0.09 0.26 -0.43 0.00 -1.51 0.00 0.00 54.79 53.20 1r4y n ASP 95 Cb 0.31 -0.12 -0.02 0.00 2.34 0.00 0.00 41.12 43.63 1r4y n ASP 95 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1r4y s SER 96 N -6.26 6.64 0.10 1.67 0.01 -1.21 -2.90 113.70 111.75 1r4y s SER 96 Ca -0.12 0.52 -0.22 0.00 1.31 0.00 0.00 55.95 57.44 1r4y s SER 96 Cb 0.07 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.64 1r4y s SER 96 CO 0.80 -1.23 1.73 0.07 0.41 0.00 0.00 173.24 175.01 1r4y h LYS 97 N 9.19 -0.01 -3.03 12.44 2.10 -1.86 -3.33 116.57 132.07 1r4y h LYS 97 Ca -0.23 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.22 1r4y h LYS 97 Cb 1.06 0.00 -0.30 0.00 -0.90 0.00 0.00 32.23 32.09 1r4y h LYS 97 CO 1.12 -0.01 -0.49 0.21 -2.00 0.00 0.00 179.45 178.28 1r4y s LYS 98 N -6.19 0.20 1.14 0.07 2.36 -1.26 -4.07 119.74 111.98 1r4y s LYS 98 Ca -0.13 0.53 -0.18 0.00 -2.55 0.00 0.00 55.97 53.64 1r4y s LYS 98 Cb 0.07 -0.12 0.26 0.00 -1.05 0.00 0.00 37.83 36.99 1r4y s LYS 98 CO 0.67 -0.17 1.16 -1.25 1.55 0.00 0.00 175.35 177.30 1r4y s PRO 99 N 1.31 -0.76 -0.10 4.03 0.04 -1.26 -5.18 135.00 133.07 1r4y s PRO 99 Ca -0.09 -0.14 -0.08 0.00 0.04 0.00 0.00 61.00 60.74 1r4y s PRO 99 Cb -0.11 -1.66 0.03 0.00 0.04 0.00 0.00 34.50 32.81 1r4y s PRO 99 CO -0.08 -3.39 0.26 -1.59 0.04 0.00 0.00 177.00 172.23 1r4y s LYS 100 N -5.51 0.27 0.86 4.56 -2.85 -1.26 -4.74 119.74 111.07 1r4y s LYS 100 Ca 0.71 0.44 -0.13 0.00 -1.00 0.00 0.00 55.97 55.99 1r4y s LYS 100 Cb -0.08 0.04 0.12 0.00 -2.06 0.00 0.00 37.83 35.85 1r4y s LYS 100 CO 0.55 -0.09 1.23 -2.00 0.10 0.00 0.00 175.35 175.14 1r4y s GLU 101 N 0.62 1.50 0.89 1.78 -6.30 -1.26 -5.04 118.70 110.88 1r4y s GLU 101 Ca -0.04 -0.06 -0.12 0.00 -2.50 0.00 0.00 54.97 52.25 1r4y s GLU 101 Cb -0.05 -1.91 0.09 0.00 0.00 0.00 0.00 34.13 32.26 1r4y s GLU 101 CO -0.04 -1.88 0.91 0.09 0.02 0.00 0.00 175.26 174.36 1r4y n ASN 102 N -3.48 -0.29 0.00 -1.70 4.13 -1.26 -5.03 115.26 107.64 1r4y n ASN 102 Ca 0.10 0.44 0.00 0.00 1.68 0.00 0.00 54.58 56.80 1r4y n ASN 102 Cb 0.60 -1.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.45 1r4y n ASN 102 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1r4y n PRO 103 N -3.12 0.00 0.00 3.52 -0.04 -1.26 -5.05 135.00 129.05 1r4y n PRO 103 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1r4y n PRO 103 Cb 0.52 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 1r4y n PRO 103 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r4y n GLY 104 N 2.36 4.09 0.17 0.55 0.00 -1.26 -4.81 105.19 106.29 1r4y n GLY 104 Ca 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 1r4y n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r4y h PRO 105 N 0.00 0.42 -5.96 1.61 0.13 -1.97 -3.45 132.00 122.78 1r4y h PRO 105 Ca 0.00 -0.38 -0.64 0.00 -0.87 0.00 0.00 66.00 64.10 1r4y h PRO 105 Cb 0.00 0.09 -0.08 0.00 0.13 0.00 0.00 31.00 31.14 1r4y h PRO 105 CO 0.00 1.03 -0.55 0.00 -0.23 0.00 0.00 178.00 178.26 1r4y s ALA 106 N -3.48 3.73 -0.01 -0.56 0.00 -1.26 -4.45 121.76 115.73 1r4y s ALA 106 Ca -0.06 -0.86 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 1r4y s ALA 106 Cb 0.10 -1.67 0.01 0.00 0.00 0.00 0.00 23.12 21.56 1r4y s ALA 106 CO 0.85 0.73 0.20 1.03 0.00 0.00 0.00 175.76 178.57 1r4y s ARG 107 N -1.96 0.52 -0.29 0.00 0.52 -1.20 -3.88 118.95 112.66 1r4y s ARG 107 Ca 0.26 -0.25 -0.27 0.00 -0.52 0.00 0.00 55.73 54.95 1r4y s ARG 107 Cb -0.12 0.22 0.01 0.00 0.52 0.00 0.00 34.95 35.58 1r4y s ARG 107 CO 0.18 -0.13 0.95 0.54 0.02 0.00 0.00 175.30 176.86 1r4y s VAL 108 N -1.20 4.67 -0.04 3.52 0.11 0.58 -2.51 120.40 125.53 1r4y s VAL 108 Ca -0.13 1.60 -0.11 0.00 -2.93 0.00 0.00 61.98 60.41 1r4y s VAL 108 Cb -0.06 -4.28 -0.05 0.00 -1.53 0.00 0.00 36.38 30.46 1r4y s VAL 108 CO 0.02 -0.31 0.30 -0.63 -3.33 0.00 0.00 175.10 171.16 1r4y s ILE 109 N 3.26 5.22 -0.11 7.04 -1.09 0.11 -2.10 121.20 133.53 1r4y s ILE 109 Ca 0.40 0.54 -0.30 0.00 -2.23 0.00 0.00 60.65 59.06 1r4y s ILE 109 Cb -0.14 -3.59 0.11 0.00 -1.58 0.00 0.00 42.46 37.27 1r4y s ILE 109 CO 0.12 0.56 0.93 -0.72 -1.23 0.00 0.00 174.94 174.59 1r4y s TYR 110 N -1.10 -0.41 0.54 3.97 -0.85 -1.25 -0.78 117.35 117.47 1r4y s TYR 110 Ca 0.22 0.61 -0.05 0.00 -0.52 0.00 0.00 57.07 57.33 1r4y s TYR 110 Cb -0.15 0.46 -0.00 0.00 0.38 0.00 0.00 41.96 42.66 1r4y s TYR 110 CO 0.11 -0.43 0.84 0.95 -1.52 0.00 0.00 175.55 175.50 1r4y s THR 111 N -1.57 3.94 0.15 -3.49 -4.23 -1.25 -1.58 115.64 107.61 1r4y s THR 111 Ca -0.02 -0.06 0.08 0.00 -1.18 0.00 0.00 61.69 60.52 1r4y s THR 111 Cb -0.01 -3.53 -0.04 0.00 1.34 0.00 0.00 72.50 70.26 1r4y s THR 111 CO 0.00 -0.51 -0.07 -0.47 -0.54 0.00 0.00 174.62 173.03 1r4y s TYR 112 N -2.86 2.73 -0.06 3.99 6.14 -0.56 -3.28 117.35 123.45 1r4y s TYR 112 Ca 0.52 -0.17 -0.19 0.00 0.64 0.00 0.00 57.07 57.86 1r4y s TYR 112 Cb -0.10 -1.37 -0.14 0.00 0.42 0.00 0.00 41.96 40.77 1r4y s TYR 112 CO 0.44 0.48 0.77 -1.00 0.64 0.00 0.00 175.55 176.87 1r4y h PRO 113 N 3.15 -0.23 -6.00 4.97 0.13 -1.87 -3.37 132.00 128.77 1r4y h PRO 113 Ca -0.48 0.02 -0.77 0.00 -0.87 0.00 0.00 66.00 63.90 1r4y h PRO 113 Cb 1.19 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1r4y h PRO 113 CO 0.54 0.15 1.26 -1.71 -0.23 0.00 0.00 178.00 178.02 1r4y n ASN 114 N -4.93 1.02 -4.00 1.44 5.15 -1.26 -4.68 115.26 107.99 1r4y n ASN 114 Ca -0.07 0.70 -0.34 0.00 -0.60 0.00 0.00 54.58 54.27 1r4y n ASN 114 Cb 0.25 -0.95 -0.09 0.00 -0.53 0.00 0.00 39.78 38.45 1r4y n ASN 114 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1r4y n LYS 115 N 7.21 0.69 -1.20 1.20 5.02 -1.21 -4.25 118.16 125.63 1r4y n LYS 115 Ca 0.50 -1.66 -0.43 0.00 -2.02 0.00 0.00 58.31 54.70 1r4y n LYS 115 Cb -0.00 -3.20 -0.05 0.00 -0.02 0.00 0.00 35.03 31.76 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 7.45 1.99 -1.07 -0.18 0.31 -1.20 -4.80 118.33 120.81 1r4y n VAL 116 Ca 0.46 -1.72 -0.50 0.00 -0.01 0.00 0.00 64.34 62.56 1r4y n VAL 116 Cb 0.44 -2.35 -0.10 0.00 -0.91 0.00 0.00 33.84 30.92 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 7.28 1.01 -0.02 3.52 -0.00 -1.26 -3.81 117.46 124.17 1r4y n PHE 117 Ca 0.50 0.67 -0.02 0.00 -0.00 0.00 0.00 57.45 58.59 1r4y n PHE 117 Cb 0.40 -1.88 -0.12 0.00 -0.00 0.00 0.00 39.48 37.87 1r4y n PHE 117 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1r4y n GLY 119 N 1.50 0.91 3.59 0.00 0.00 -1.20 -4.94 105.19 105.04 1r4y n GLY 119 Ca -0.16 -1.95 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.04 3.55 0.23 -0.61 1.09 -1.26 0.06 121.20 122.22 1r4y s ILE 120 Ca 0.00 -0.94 0.10 0.00 -1.10 0.00 0.00 60.65 58.72 1r4y s ILE 120 Cb 0.00 -2.58 -0.04 0.00 -1.06 0.00 0.00 42.46 38.78 1r4y s ILE 120 CO 0.00 0.30 -0.13 0.27 -0.10 0.00 0.00 174.94 175.28 1r4y s ILE 121 N -1.07 2.88 -0.27 2.92 -4.36 -1.04 0.91 121.20 121.16 1r4y s ILE 121 Ca 0.19 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.30 1r4y s ILE 121 Cb -0.11 -2.47 0.18 0.00 1.25 0.00 0.00 42.46 41.31 1r4y s ILE 121 CO 0.10 -0.25 1.31 0.00 0.24 0.00 0.00 174.94 176.34 1r4y s ALA 122 N -2.05 -2.11 -0.81 2.27 0.00 -0.44 -3.21 121.76 115.41 1r4y s ALA 122 Ca 0.27 1.80 -0.20 0.00 0.00 0.00 0.00 51.96 53.82 1r4y s ALA 122 Cb -0.07 -1.46 0.11 0.00 0.00 0.00 0.00 23.12 21.70 1r4y s ALA 122 CO 0.15 -0.22 1.04 -1.01 0.00 0.00 0.00 175.76 175.73 1r4y s HIS 123 N -0.72 2.94 -0.74 0.00 0.09 -1.26 -2.60 115.29 113.01 1r4y s HIS 123 Ca 0.07 -1.06 -0.02 0.00 -0.00 0.00 0.00 55.06 54.05 1r4y s HIS 123 Cb -0.02 -4.27 0.39 0.00 -0.00 0.00 0.00 32.58 28.68 1r4y s HIS 123 CO -0.08 -1.54 2.05 -2.37 -0.00 0.00 0.00 174.74 172.80 1r4y n THR 124 N 5.67 3.59 -0.05 1.30 5.66 -1.26 -4.27 114.28 124.93 1r4y n THR 124 Ca 0.12 -3.51 -0.02 0.00 -3.05 0.00 0.00 64.05 57.59 1r4y n THR 124 Cb 0.47 -1.21 -0.12 0.00 -1.55 0.00 0.00 70.33 67.93 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 -0.68 1.27 0.07 1.09 4.81 -1.26 -5.01 118.16 118.45 1r4y n LYS 125 Ca 0.58 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1r4y n LYS 125 Cb 0.47 -1.37 0.00 0.00 0.02 0.00 0.00 35.03 34.15 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 -2.37 0.00 0.00 1.64 0.00 -1.26 -5.02 120.64 113.63 1r4y n GLU 126 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.99 1r4y n GLU 126 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.22 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 -2.72 0.00 -2.81 4.31 3.02 -1.26 -5.04 115.26 110.76 1r4y n ASN 127 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 1r4y n ASN 127 Cb 0.00 0.23 0.02 0.00 -0.61 0.00 0.00 39.78 39.41 1r4y n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r4y n GLN 128 N -2.10 0.61 0.00 3.52 6.02 -1.26 -4.84 117.38 119.34 1r4y n GLN 128 Ca 0.00 -2.03 0.00 0.00 -0.01 0.00 0.00 57.00 54.96 1r4y n GLN 128 Cb 0.00 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.79 1r4y n GLN 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r4y n GLY 129 N 2.41 1.19 3.84 1.08 0.00 -1.26 -5.10 105.19 107.35 1r4y n GLY 129 Ca 0.16 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 1.35 3.97 -0.08 1.61 2.02 -1.26 -4.99 118.70 121.32 1r4y s GLU 130 Ca 0.00 0.47 -0.11 0.00 0.02 0.00 0.00 54.97 55.35 1r4y s GLU 130 Cb 0.00 -3.02 -0.05 0.00 0.10 0.00 0.00 34.13 31.16 1r4y s GLU 130 CO 0.00 0.54 0.28 -1.17 0.02 0.00 0.00 175.26 174.93 1r4y s LEU 131 N -1.71 4.40 0.19 1.80 2.96 -1.26 -4.00 118.68 121.05 1r4y s LEU 131 Ca 0.34 0.68 -0.02 0.00 -0.22 0.00 0.00 54.13 54.91 1r4y s LEU 131 Cb -0.16 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 1r4y s LEU 131 CO 0.18 0.32 0.13 -1.59 -1.32 0.00 0.00 176.35 174.08 1r4y s LYS 132 N -0.79 1.16 0.01 1.98 -2.85 -1.07 -4.86 119.74 113.32 1r4y s LYS 132 Ca 0.19 -1.57 -0.19 0.00 -1.00 0.00 0.00 55.97 53.40 1r4y s LYS 132 Cb -0.14 0.28 -0.06 0.00 -2.06 0.00 0.00 37.83 35.85 1r4y s LYS 132 CO 0.08 -0.38 0.56 -1.17 0.10 0.00 0.00 175.35 174.54 1r4y s LEU 133 N -3.13 4.44 0.00 2.77 2.96 -1.26 -1.32 118.68 123.14 1r4y s LEU 133 Ca 0.35 1.15 -0.14 0.00 -0.22 0.00 0.00 54.13 55.27 1r4y s LEU 133 Cb 0.07 -2.87 0.21 0.00 0.50 0.00 0.00 46.19 44.10 1r4y s LEU 133 CO 0.10 0.16 0.48 0.00 -1.32 0.00 0.00 176.35 175.77 1r4y s SER 135 N -2.45 -1.40 0.00 0.00 0.01 -1.09 -4.87 113.70 103.89 1r4y s SER 135 Ca 0.37 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 56.35 1r4y s SER 135 Cb -0.07 1.82 0.00 0.00 0.21 0.00 0.00 66.02 67.98 1r4y s SER 135 CO 0.31 -0.09 0.00 0.00 0.41 0.00 0.00 173.24 173.87