#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 2.11 -0.34 0.00 0.11 -1.26 -5.07 120.40 115.95 1r4y s VAL 2 Ca 0.00 -1.05 -0.21 0.00 -2.93 0.00 0.00 61.98 57.79 1r4y s VAL 2 Cb 0.00 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.09 1r4y s VAL 2 CO 0.00 0.57 0.66 -0.89 -3.33 0.00 0.00 175.10 172.11 1r4y s THR 3 N -0.19 4.88 0.30 5.04 2.01 -1.26 -2.99 115.64 123.43 1r4y s THR 3 Ca -0.03 0.71 -0.28 0.00 0.31 0.00 0.00 61.69 62.41 1r4y s THR 3 Cb -0.14 -4.08 -0.09 0.00 0.01 0.00 0.00 72.50 68.20 1r4y s THR 3 CO 0.03 -0.29 0.99 0.26 -0.69 0.00 0.00 174.62 174.93 1r4y s TRP 4 N 2.75 3.71 -0.00 4.92 0.52 0.22 -4.42 118.94 126.64 1r4y s TRP 4 Ca 0.26 1.79 -0.01 0.00 0.02 0.00 0.00 56.10 58.16 1r4y s TRP 4 Cb -0.14 -3.04 -0.00 0.00 -1.15 0.00 0.00 33.47 29.13 1r4y s TRP 4 CO 0.14 0.03 0.02 0.99 0.02 0.00 0.00 176.95 178.15 1r4y s THR 5 N -1.39 0.02 0.00 2.01 2.01 -1.26 0.54 115.64 117.57 1r4y s THR 5 Ca 0.47 -0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.32 1r4y s THR 5 Cb -0.24 -0.08 0.00 0.00 0.01 0.00 0.00 72.50 72.18 1r4y s THR 5 CO 0.30 -0.08 0.00 0.00 -0.69 0.00 0.00 174.62 174.15 1r4y n GLY 7 N 3.93 0.58 0.13 0.00 0.00 -1.26 -4.89 105.19 103.68 1r4y n GLY 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.02 -1.52 3.59 -0.02 0.00 -1.26 -5.10 105.19 102.90 1r4y n GLY 8 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 3.04 -0.14 0.99 1.43 -1.26 -5.13 118.68 117.61 1r4y s LEU 9 Ca 0.00 -0.58 -0.04 0.00 -1.03 0.00 0.00 54.13 52.48 1r4y s LEU 9 Cb 0.00 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 1r4y s LEU 9 CO 0.00 0.08 0.00 -0.76 0.23 0.00 0.00 176.35 175.91 1r4y s LEU 10 N -3.00 3.53 -0.46 1.79 1.02 -1.26 -3.83 118.68 116.47 1r4y s LEU 10 Ca 0.26 0.03 0.03 0.00 0.02 0.00 0.00 54.13 54.47 1r4y s LEU 10 Cb -0.08 -1.85 0.13 0.00 0.02 0.00 0.00 46.19 44.41 1r4y s LEU 10 CO 0.16 0.24 0.22 -0.31 0.02 0.00 0.00 176.35 176.69 1r4y s TYR 11 N -0.07 2.66 -0.11 0.29 2.02 0.19 -4.16 117.35 118.18 1r4y s TYR 11 Ca 0.04 -2.78 -0.35 0.00 -0.37 0.00 0.00 57.07 53.60 1r4y s TYR 11 Cb -0.13 -2.39 -0.13 0.00 -0.40 0.00 0.00 41.96 38.91 1r4y s TYR 11 CO 0.02 -0.78 1.82 -1.71 -1.57 0.00 0.00 175.55 173.33 1r4y n ASN 12 N 3.48 3.16 -0.09 2.29 4.05 -1.26 -0.61 115.26 126.28 1r4y n ASN 12 Ca 0.06 1.01 -0.06 0.00 0.45 0.00 0.00 54.58 56.03 1r4y n ASN 12 Cb 0.34 -1.32 0.00 0.00 1.23 0.00 0.00 39.78 40.03 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 8.45 -0.06 -0.99 1.20 4.15 -1.89 0.22 115.11 126.19 1r4y h GLN 13 Ca -0.48 0.00 0.23 0.00 0.77 0.00 0.00 58.65 59.18 1r4y h GLN 13 Cb 1.28 0.01 -0.09 0.00 0.21 0.00 0.00 27.48 28.90 1r4y h GLN 13 CO 0.94 -0.04 0.63 -0.97 -1.93 0.00 0.00 178.83 177.46 1r4y h ASN 14 N -0.07 0.52 0.04 -0.69 -0.73 -1.88 0.29 115.58 113.06 1r4y h ASN 14 Ca 0.17 0.07 -0.00 0.00 1.87 0.00 0.00 56.30 58.41 1r4y h ASN 14 Cb 0.32 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.90 1r4y h ASN 14 CO -0.39 0.16 -0.02 0.11 -0.37 0.00 0.00 177.43 176.92 1r4y h LYS 15 N 0.49 -0.06 -1.11 6.67 1.57 -1.23 0.48 116.57 123.39 1r4y h LYS 15 Ca 0.55 0.00 0.30 0.00 -1.87 0.00 0.00 60.65 59.64 1r4y h LYS 15 Cb 1.26 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.49 1r4y h LYS 15 CO -0.28 0.48 0.73 0.00 -0.57 0.00 0.00 179.45 179.81 1r4y h ALA 16 N 0.26 2.47 0.14 3.86 0.00 0.14 0.59 119.26 126.72 1r4y h ALA 16 Ca -0.01 0.05 -0.35 0.00 0.00 0.00 0.00 54.91 54.61 1r4y h ALA 16 Cb 0.57 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1r4y h ALA 16 CO 0.01 -0.90 -1.83 1.05 0.00 0.00 0.00 179.25 177.58 1r4y h GLU 17 N 0.28 0.30 0.14 0.00 4.11 -0.62 -3.26 114.58 115.53 1r4y h GLU 17 Ca 0.62 -0.50 -0.01 0.00 0.07 0.00 0.00 59.36 59.54 1r4y h GLU 17 Cb 1.80 0.19 0.00 0.00 0.50 0.00 0.00 28.75 31.24 1r4y h GLU 17 CO -0.26 1.24 -0.07 1.03 0.07 0.00 0.00 179.01 181.03 1r4y h SER 18 N -0.00 -0.16 -1.36 3.06 0.87 0.12 0.66 113.55 116.75 1r4y h SER 18 Ca -0.39 -0.07 0.40 0.00 -1.23 0.00 0.00 61.79 60.50 1r4y h SER 18 Cb 2.00 0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 63.92 1r4y h SER 18 CO 0.10 0.35 0.94 -1.13 -0.53 0.00 0.00 176.83 176.56 1r4y h ASN 19 N -1.04 0.13 1.26 6.23 -0.00 -0.05 0.15 115.58 122.26 1r4y h ASN 19 Ca -0.02 0.04 -0.11 0.00 -0.00 0.00 0.00 56.30 56.21 1r4y h ASN 19 Cb 0.22 0.03 -0.02 0.00 -0.00 0.00 0.00 38.32 38.55 1r4y h ASN 19 CO 0.03 -0.02 -0.78 0.77 -0.00 0.00 0.00 177.43 177.43 1r4y h SER 20 N 0.09 0.00 -0.88 1.15 4.64 -1.54 -3.32 113.55 113.68 1r4y h SER 20 Ca 0.70 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 62.12 1r4y h SER 20 Cb 2.52 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 64.54 1r4y h SER 20 CO -0.14 0.46 0.57 0.45 -0.87 0.00 0.00 176.83 177.29 1r4y h HIS 21 N 0.00 0.94 -0.17 4.77 3.86 0.33 -1.62 115.15 123.26 1r4y h HIS 21 Ca -0.05 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.08 1r4y h HIS 21 Cb 1.39 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 29.56 1r4y h HIS 21 CO 0.00 0.43 -0.29 0.45 0.86 0.00 0.00 177.93 179.38 1r4y h HIS 22 N 0.87 0.62 -1.00 2.45 3.86 -1.65 -3.45 115.15 116.85 1r4y h HIS 22 Ca 0.41 -0.22 -0.83 0.00 -1.16 0.00 0.00 60.37 58.58 1r4y h HIS 22 Cb 0.42 -0.12 0.03 0.00 1.06 0.00 0.00 27.41 28.80 1r4y h HIS 22 CO -0.00 0.92 0.31 0.00 0.86 0.00 0.00 177.93 180.02 1r4y n ALA 23 N -2.48 -2.75 -2.31 2.45 0.00 -0.61 -4.84 120.51 109.97 1r4y n ALA 23 Ca -0.06 0.56 -0.42 0.00 0.00 0.00 0.00 53.44 53.52 1r4y n ALA 23 Cb 0.47 -1.82 -0.03 0.00 0.00 0.00 0.00 19.45 18.07 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 1.19 4.28 -0.86 0.00 0.04 -1.26 -4.89 135.00 133.49 1r4y s PRO 24 Ca 0.96 1.84 -0.26 0.00 0.04 0.00 0.00 61.00 63.58 1r4y s PRO 24 Cb -1.36 -3.66 -0.16 0.00 0.04 0.00 0.00 34.50 29.37 1r4y s PRO 24 CO 0.67 -0.60 2.33 -1.17 0.04 0.00 0.00 177.00 178.27 1r4y s LEU 25 N 2.78 2.75 -0.24 -3.56 2.96 -1.26 -4.52 118.68 117.60 1r4y s LEU 25 Ca 0.60 -0.20 -0.29 0.00 -0.22 0.00 0.00 54.13 54.02 1r4y s LEU 25 Cb -0.27 -2.56 0.16 0.00 0.50 0.00 0.00 46.19 44.02 1r4y s LEU 25 CO 0.23 -4.07 1.21 -0.44 -1.32 0.00 0.00 176.35 171.96 1r4y s SER 26 N 10.29 -0.18 -0.38 3.68 0.01 -1.26 -4.98 113.70 120.87 1r4y s SER 26 Ca 0.90 0.22 -0.24 0.00 1.31 0.00 0.00 55.95 58.14 1r4y s SER 26 Cb -0.11 0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.31 1r4y s SER 26 CO 0.10 -0.16 0.82 -0.62 0.41 0.00 0.00 173.24 173.79 1r4y s ASP 27 N -0.93 6.56 -0.69 2.44 2.15 -1.26 -4.19 116.67 120.75 1r4y s ASP 27 Ca 0.04 0.33 -0.06 0.00 0.43 0.00 0.00 52.55 53.30 1r4y s ASP 27 Cb -0.01 -2.41 0.01 0.00 -0.30 0.00 0.00 42.92 40.21 1r4y s ASP 27 CO -0.05 -0.79 0.66 0.61 -0.17 0.00 0.00 175.17 175.43 1r4y n GLY 28 N 4.57 -1.17 0.64 2.66 0.00 -0.32 -4.73 105.19 106.84 1r4y n GLY 28 Ca 0.04 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 -1.61 0.00 -4.21 1.61 4.76 -1.22 -5.05 118.16 112.44 1r4y n LYS 29 Ca -0.06 -1.09 -0.19 0.00 -2.87 0.00 0.00 58.31 54.10 1r4y n LYS 29 Cb 0.55 -0.40 -0.12 0.00 -1.84 0.00 0.00 35.03 33.22 1r4y n LYS 29 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1r4y s THR 30 N 0.00 1.27 0.05 -0.18 -4.23 -1.25 -5.04 115.64 106.25 1r4y s THR 30 Ca 0.05 -1.51 -0.09 0.00 -1.18 0.00 0.00 61.69 58.95 1r4y s THR 30 Cb 0.05 -1.32 -0.02 0.00 1.34 0.00 0.00 72.50 72.55 1r4y s THR 30 CO -0.02 -0.29 1.08 0.61 -0.54 0.00 0.00 174.62 175.45 1r4y n GLY 31 N 0.93 -2.74 0.23 3.99 0.00 -0.42 -2.04 105.19 105.14 1r4y n GLY 31 Ca -0.18 0.72 -0.08 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.69 0.00 1.61 0.87 0.17 -3.34 113.55 112.16 1r4y h SER 32 Ca 0.05 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1r4y h SER 32 Cb 0.12 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1r4y h SER 32 CO -0.27 -0.28 0.00 -1.20 -0.53 0.00 0.00 176.83 174.55 1r4y n SER 33 N -3.80 0.00 -4.75 6.23 7.64 -0.87 -4.96 113.62 113.12 1r4y n SER 33 Ca -0.05 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.45 1r4y n SER 33 Cb 0.20 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.44 1r4y n SER 33 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1r4y s TYR 34 N 0.00 2.30 0.50 1.43 1.51 -1.26 -3.39 117.35 118.44 1r4y s TYR 34 Ca 0.00 1.41 -0.20 0.00 -1.01 0.00 0.00 57.07 57.27 1r4y s TYR 34 Cb 0.00 -3.74 -0.08 0.00 -0.11 0.00 0.00 41.96 38.03 1r4y s TYR 34 CO 0.00 -2.78 1.05 -1.25 -1.11 0.00 0.00 175.55 171.46 1r4y s PRO 35 N -2.98 3.72 0.21 -1.71 0.04 -1.26 -4.68 135.00 128.34 1r4y s PRO 35 Ca 0.73 1.36 0.07 0.00 0.04 0.00 0.00 61.00 63.20 1r4y s PRO 35 Cb -0.39 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.02 1r4y s PRO 35 CO 0.45 -0.50 -0.13 -3.38 0.04 0.00 0.00 177.00 173.48 1r4y s HIS 36 N -2.02 1.72 0.61 0.56 -3.43 -1.12 -1.17 115.29 110.44 1r4y s HIS 36 Ca 0.67 -0.60 -0.19 0.00 -0.80 0.00 0.00 55.06 54.14 1r4y s HIS 36 Cb -0.17 -0.83 -0.03 0.00 -1.43 0.00 0.00 32.58 30.12 1r4y s HIS 36 CO 0.22 0.33 1.22 1.87 -2.00 0.00 0.00 174.74 176.38 1r4y n TRP 37 N -0.40 1.72 -3.61 0.38 -0.00 -1.26 -1.87 117.44 112.41 1r4y n TRP 37 Ca -0.08 0.43 -0.27 0.00 -0.00 0.00 0.00 57.50 57.58 1r4y n TRP 37 Cb 0.61 -2.26 -0.10 0.00 -0.00 0.00 0.00 31.31 29.55 1r4y n TRP 37 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1r4y n PHE 38 N -1.61 1.41 -0.50 5.87 7.35 0.11 -4.68 117.46 125.40 1r4y n PHE 38 Ca 0.14 -3.86 0.41 0.00 -0.76 0.00 0.00 57.45 53.39 1r4y n PHE 38 Cb 0.47 -0.26 0.68 0.00 0.35 0.00 0.00 39.48 40.72 1r4y n PHE 38 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1r4y n THR 39 N 2.15 -0.20 -1.08 -2.13 -2.24 -1.26 -4.30 114.28 105.21 1r4y n THR 39 Ca 0.25 1.69 -0.03 0.00 -2.27 0.00 0.00 64.05 63.69 1r4y n THR 39 Cb 0.42 -2.77 -0.01 0.00 -2.10 0.00 0.00 70.33 65.86 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 -4.50 -4.91 0.00 3.42 5.15 -1.26 -0.98 115.26 112.18 1r4y n ASN 40 Ca 0.40 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.45 1r4y n ASN 40 Cb 1.60 -2.65 0.00 0.00 -0.53 0.00 0.00 39.78 38.20 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 -0.55 0.64 3.86 8.20 0.00 -1.26 -4.26 105.19 111.82 1r4y n GLY 41 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 2.90 -0.05 1.61 1.51 -0.15 -4.48 117.35 116.69 1r4y s TYR 42 Ca 0.00 0.87 -0.04 0.00 -1.01 0.00 0.00 57.07 56.89 1r4y s TYR 42 Cb 0.00 -3.36 -0.27 0.00 -0.11 0.00 0.00 41.96 38.22 1r4y s TYR 42 CO 0.00 -1.82 0.64 -0.44 -1.11 0.00 0.00 175.55 172.82 1r4y h ASP 43 N -1.10 0.41 0.00 2.29 5.19 -1.70 -3.45 116.42 118.06 1r4y h ASP 43 Ca -0.47 -0.70 0.00 0.00 -0.62 0.00 0.00 57.03 55.24 1r4y h ASP 43 Cb 1.31 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1r4y h ASP 43 CO 0.64 1.60 0.00 0.61 -3.12 0.00 0.00 179.24 178.97 1r4y n GLY 44 N 1.80 -1.53 0.83 2.75 0.00 -1.26 -5.03 105.19 102.76 1r4y n GLY 44 Ca -0.23 0.55 -0.01 0.00 0.00 0.00 0.00 46.02 46.32 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 0.89 -4.52 1.61 8.00 -1.26 -1.69 116.55 119.57 1r4y n ASP 45 Ca 0.00 0.12 -0.30 0.00 0.71 0.00 0.00 54.79 55.33 1r4y n ASP 45 Cb 0.00 -0.32 0.22 0.00 -0.02 0.00 0.00 41.12 41.00 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 3.08 -1.53 0.00 0.44 0.00 -1.26 -4.04 105.19 101.88 1r4y n GLY 46 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -4.48 -1.54 -2.46 1.61 4.01 -1.26 -4.01 118.16 110.03 1r4y n LYS 47 Ca 0.06 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.53 1r4y n LYS 47 Cb 0.54 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 35.02 1r4y n LYS 47 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1r4y s LEU 48 N 0.00 3.74 0.98 -0.35 1.02 -1.26 -3.89 118.68 118.91 1r4y s LEU 48 Ca 0.00 1.76 -0.13 0.00 0.02 0.00 0.00 54.13 55.79 1r4y s LEU 48 Cb 0.00 -4.54 0.18 0.00 0.02 0.00 0.00 46.19 41.85 1r4y s LEU 48 CO 0.00 -0.73 1.12 -2.16 0.02 0.00 0.00 176.35 174.60 1r4y s PRO 49 N -3.61 0.61 -0.51 1.29 0.04 -1.26 -4.89 135.00 126.68 1r4y s PRO 49 Ca 0.63 0.36 -0.26 0.00 0.04 0.00 0.00 61.00 61.77 1r4y s PRO 49 Cb -0.13 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.56 1r4y s PRO 49 CO 0.25 -2.58 2.43 1.17 0.04 0.00 0.00 177.00 178.31 1r4y n LYS 50 N -4.04 1.02 0.00 4.56 0.00 -1.26 -3.14 118.16 115.30 1r4y n LYS 50 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 58.31 58.38 1r4y n LYS 50 Cb 0.58 -3.35 0.00 0.00 0.00 0.00 0.00 35.03 32.27 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 6.03 0.63 3.42 3.14 0.00 -1.26 -5.16 105.19 111.99 1r4y n GLY 51 Ca 0.38 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 1r4y n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r4y s ARG 52 N -0.25 1.26 -0.31 1.61 1.81 -1.19 -5.15 118.95 116.74 1r4y s ARG 52 Ca 0.00 -1.09 -0.01 0.00 -1.72 0.00 0.00 55.73 52.92 1r4y s ARG 52 Cb 0.00 0.43 0.13 0.00 -0.45 0.00 0.00 34.95 35.06 1r4y s ARG 52 CO 0.00 -0.49 0.26 0.99 -0.68 0.00 0.00 175.30 175.38 1r4y s THR 53 N -3.94 -0.26 0.47 0.02 2.01 -1.26 -5.01 115.64 107.66 1r4y s THR 53 Ca 0.15 -0.76 -0.22 0.00 0.31 0.00 0.00 61.69 61.18 1r4y s THR 53 Cb 0.02 -0.94 -0.08 0.00 0.01 0.00 0.00 72.50 71.51 1r4y s THR 53 CO 0.00 -0.60 1.10 -2.16 -0.69 0.00 0.00 174.62 172.27 1r4y s PRO 54 N 2.01 3.78 -0.06 4.92 0.04 -1.26 -4.90 135.00 139.52 1r4y s PRO 54 Ca 0.11 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 1r4y s PRO 54 Cb -0.16 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 1r4y s PRO 54 CO -0.25 -0.49 1.53 0.42 0.04 0.00 0.00 177.00 178.25 1r4y s ILE 55 N -1.74 3.73 0.08 0.56 1.01 -1.26 -4.97 121.20 118.61 1r4y s ILE 55 Ca 0.65 0.93 -0.27 0.00 0.00 0.00 0.00 60.65 61.97 1r4y s ILE 55 Cb -0.23 -3.60 -0.06 0.00 0.01 0.00 0.00 42.46 38.58 1r4y s ILE 55 CO 0.27 -0.07 0.83 -0.75 0.00 0.00 0.00 174.94 175.23 1r4y s LYS 56 N 3.62 4.58 -0.01 2.79 2.47 -1.26 -4.91 119.74 127.03 1r4y s LYS 56 Ca 0.68 1.21 -0.01 0.00 -1.56 0.00 0.00 55.97 56.29 1r4y s LYS 56 Cb -0.31 -3.36 -0.01 0.00 -1.46 0.00 0.00 37.83 32.70 1r4y s LYS 56 CO 0.26 0.29 -0.03 1.19 0.16 0.00 0.00 175.35 177.23 1r4y n PHE 57 N 2.65 0.00 0.00 4.03 3.72 -1.26 -4.77 117.46 121.83 1r4y n PHE 57 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1r4y n PHE 57 Cb 0.50 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 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 2.94 1.05 3.84 1.37 0.00 -1.26 -5.11 105.19 108.02 1r4y n GLY 58 Ca -0.04 0.00 -0.37 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 3.74 0.00 1.61 1.02 -1.26 -4.98 119.74 119.87 1r4y s LYS 59 Ca 0.00 0.15 0.23 0.00 0.02 0.00 0.00 55.97 56.37 1r4y s LYS 59 Cb 0.00 -3.23 1.33 0.00 -0.52 0.00 0.00 37.83 35.41 1r4y s LYS 59 CO 0.00 0.69 1.76 0.45 -0.92 0.00 0.00 175.35 177.33 1r4y n SER 60 N 2.06 0.00 -0.08 2.83 2.88 -1.26 -1.81 113.62 118.24 1r4y n SER 60 Ca -0.16 -0.53 -0.13 0.00 -1.33 0.00 0.00 58.87 56.72 1r4y n SER 60 Cb 0.53 -0.09 -0.07 0.00 -0.75 0.00 0.00 64.21 63.83 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 0.58 -3.46 3.32 -1.93 -3.05 116.42 111.88 1r4y h ASP 61 Ca 0.00 -0.35 -0.19 0.00 0.02 0.00 0.00 57.03 56.51 1r4y h ASP 61 Cb 0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1r4y h ASP 61 CO 0.00 1.11 -0.83 0.00 -1.72 0.00 0.00 179.24 177.80 1r4y h ASP 63 N 0.10 1.02 -3.55 0.00 3.58 -1.55 -3.45 116.42 112.58 1r4y h ASP 63 Ca -0.03 -0.15 -0.53 0.00 0.42 0.00 0.00 57.03 56.74 1r4y h ASP 63 Cb 1.44 -0.26 0.21 0.00 1.72 0.00 0.00 39.33 42.43 1r4y h ASP 63 CO 0.12 0.90 -0.45 -2.11 -2.88 0.00 0.00 179.24 174.83 1r4y n ARG 64 N -4.29 -0.32 -2.25 0.28 1.85 -1.10 -4.93 116.66 105.89 1r4y n ARG 64 Ca 0.07 -0.05 -0.41 0.00 -1.00 0.00 0.00 57.85 56.46 1r4y n ARG 64 Cb 0.17 -1.94 -0.03 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 -3.80 4.40 0.98 2.89 0.04 -1.26 -4.98 135.00 133.27 1r4y s PRO 65 Ca 0.58 2.01 -0.12 0.00 0.04 0.00 0.00 61.00 63.51 1r4y s PRO 65 Cb -0.21 -3.21 0.17 0.00 0.04 0.00 0.00 34.50 31.29 1r4y s PRO 65 CO 0.66 -0.24 1.10 -1.25 0.04 0.00 0.00 177.00 177.30 1r4y s PRO 66 N 0.04 0.62 -0.41 0.56 0.04 -1.26 -4.88 135.00 129.71 1r4y s PRO 66 Ca 0.57 0.53 0.10 0.00 0.04 0.00 0.00 61.00 62.23 1r4y s PRO 66 Cb -0.35 -1.76 0.42 0.00 0.04 0.00 0.00 34.50 32.85 1r4y s PRO 66 CO 0.37 -2.61 1.01 1.17 0.04 0.00 0.00 177.00 176.98 1r4y n LYS 67 N -4.09 2.48 -1.59 4.56 3.00 -1.26 -4.36 118.16 116.90 1r4y n LYS 67 Ca 0.06 -4.05 -0.29 0.00 -0.00 0.00 0.00 58.31 54.02 1r4y n LYS 67 Cb 0.57 -1.88 0.12 0.00 0.00 0.00 0.00 35.03 33.84 1r4y n LYS 67 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1r4y s HIS 68 N -3.32 2.65 0.00 5.64 5.65 -0.68 -4.47 115.29 120.76 1r4y s HIS 68 Ca 0.41 0.91 0.00 0.00 0.25 0.00 0.00 55.06 56.62 1r4y s HIS 68 Cb 0.40 -3.34 0.00 0.00 -1.18 0.00 0.00 32.58 28.46 1r4y s HIS 68 CO -0.10 -2.15 0.00 -1.13 -0.65 0.00 0.00 174.74 170.71 1r4y n SER 69 N -3.63 0.00 -3.83 9.88 3.41 -1.26 -4.40 113.62 113.79 1r4y n SER 69 Ca 0.07 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.26 1r4y n SER 69 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 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 3.04 0.00 4.33 5.02 -1.26 -3.73 118.16 125.57 1r4y n LYS 70 Ca 0.00 -2.86 0.00 0.00 -2.02 0.00 0.00 58.31 53.43 1r4y n LYS 70 Cb 0.00 -3.22 0.00 0.00 -0.02 0.00 0.00 35.03 31.79 1r4y n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1r4y n ASP 71 N 5.79 0.00 0.00 4.39 8.00 -1.26 -5.04 116.55 128.42 1r4y n ASP 71 Ca 0.49 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.99 1r4y n ASP 71 Cb 0.39 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 1r4y n ASP 71 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r4y n GLY 72 N -0.73 2.87 2.27 0.44 0.00 -1.24 -4.69 105.19 104.11 1r4y n GLY 72 Ca 0.00 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 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 1.58 1.20 0.00 1.61 0.23 -1.26 -4.61 115.26 114.00 1r4y n ASN 73 Ca 0.00 -2.94 0.00 0.00 -0.53 0.00 0.00 54.58 51.11 1r4y n ASN 73 Cb 0.00 -0.64 0.00 0.00 -2.08 0.00 0.00 39.78 37.06 1r4y n ASN 73 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1r4y n GLY 74 N 1.04 -3.20 0.00 4.83 0.00 -1.26 -4.90 105.19 101.69 1r4y n GLY 74 Ca 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.38 1.61 5.02 -1.26 -4.65 118.16 118.50 1r4y n LYS 75 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 1r4y n LYS 75 Cb 0.00 -0.03 0.26 0.00 -0.02 0.00 0.00 35.03 35.24 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 1.38 -0.65 -0.18 5.66 -1.26 -5.02 114.28 114.21 1r4y n THR 76 Ca 0.00 -1.16 -0.25 0.00 -3.05 0.00 0.00 64.05 59.59 1r4y n THR 76 Cb 0.00 0.31 -0.06 0.00 -1.55 0.00 0.00 70.33 69.03 1r4y n THR 76 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1r4y n ASP 77 N 0.84 0.27 -0.63 1.09 9.92 -1.26 -4.71 116.55 122.06 1r4y n ASP 77 Ca 0.20 0.23 0.03 0.00 -0.53 0.00 0.00 54.79 54.72 1r4y n ASP 77 Cb 0.66 -0.44 0.11 0.00 -0.64 0.00 0.00 41.12 40.81 1r4y n ASP 77 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r4y n HIS 78 N 4.23 0.45 -0.93 1.24 1.44 -1.26 -4.70 115.22 115.69 1r4y n HIS 78 Ca 0.29 -0.18 -0.35 0.00 -2.01 0.00 0.00 57.72 55.46 1r4y n HIS 78 Cb -0.01 -0.09 -0.04 0.00 0.12 0.00 0.00 29.99 29.97 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 0.19 0.25 -2.04 -1.40 4.11 -1.26 -2.87 117.16 114.13 1r4y n TYR 79 Ca 0.08 0.65 -0.32 0.00 -0.00 0.00 0.00 57.90 58.31 1r4y n TYR 79 Cb 0.34 -1.29 0.01 0.00 -0.00 0.00 0.00 39.34 38.39 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 0.41 3.46 -0.04 -3.48 1.43 -1.26 -2.98 118.68 116.23 1r4y s LEU 80 Ca 0.53 1.73 -0.02 0.00 -1.03 0.00 0.00 54.13 55.35 1r4y s LEU 80 Cb -0.75 -4.52 0.02 0.00 0.03 0.00 0.00 46.19 40.97 1r4y s LEU 80 CO 0.36 -1.08 0.08 -0.76 0.23 0.00 0.00 176.35 175.17 1r4y s LEU 81 N -4.58 1.26 0.15 1.79 1.02 -0.72 0.05 118.68 117.66 1r4y s LEU 81 Ca 0.62 0.16 0.04 0.00 0.02 0.00 0.00 54.13 54.96 1r4y s LEU 81 Cb -0.14 0.18 -0.04 0.00 0.02 0.00 0.00 46.19 46.21 1r4y s LEU 81 CO 0.39 -0.09 0.20 -1.83 0.02 0.00 0.00 176.35 175.04 1r4y s GLU 82 N 0.65 3.14 -0.03 1.70 1.03 -0.78 -3.24 118.70 121.18 1r4y s GLU 82 Ca -0.05 -0.74 -0.02 0.00 0.03 0.00 0.00 54.97 54.19 1r4y s GLU 82 Cb -0.07 -2.79 0.01 0.00 -0.80 0.00 0.00 34.13 30.47 1r4y s GLU 82 CO -0.03 0.51 0.07 0.12 -1.33 0.00 0.00 175.26 174.60 1r4y s PHE 83 N -1.72 -0.07 -0.98 4.83 5.36 -0.74 -2.78 117.98 121.88 1r4y s PHE 83 Ca 0.32 0.19 -0.24 0.00 -0.96 0.00 0.00 56.93 56.25 1r4y s PHE 83 Cb -0.11 0.00 -0.03 0.00 -0.34 0.00 0.00 43.02 42.55 1r4y s PHE 83 CO 0.26 -0.05 1.84 -1.25 -1.46 0.00 0.00 175.22 174.56 1r4y s PRO 84 N 0.16 2.80 -0.31 10.12 0.04 -1.26 -0.67 135.00 145.88 1r4y s PRO 84 Ca -0.01 -0.63 -0.29 0.00 0.04 0.00 0.00 61.00 60.11 1r4y s PRO 84 Cb -0.02 -5.16 0.02 0.00 0.04 0.00 0.00 34.50 29.38 1r4y s PRO 84 CO -0.00 -3.19 1.07 -0.08 0.04 0.00 0.00 177.00 174.84 1r4y s THR 85 N 8.98 4.52 0.51 1.26 -1.32 -1.21 -4.85 115.64 123.54 1r4y s THR 85 Ca 0.65 1.75 -0.08 0.00 -1.21 0.00 0.00 61.69 62.79 1r4y s THR 85 Cb -0.04 -4.41 -0.04 0.00 -1.51 0.00 0.00 72.50 66.50 1r4y s THR 85 CO -0.00 -0.46 0.87 -0.36 -2.21 0.00 0.00 174.62 172.45 1r4y s PHE 86 N 3.62 3.57 -0.02 9.09 0.40 -1.26 -4.75 117.98 128.62 1r4y s PHE 86 Ca 0.45 1.01 -0.21 0.00 -0.60 0.00 0.00 56.93 57.58 1r4y s PHE 86 Cb -0.12 -2.47 -0.24 0.00 0.51 0.00 0.00 43.02 40.70 1r4y s PHE 86 CO 0.15 -0.38 1.05 -1.00 0.70 0.00 0.00 175.22 175.73 1r4y h PRO 87 N 0.22 0.32 -0.56 0.24 0.13 -1.97 -3.14 132.00 127.25 1r4y h PRO 87 Ca -0.46 -0.37 0.16 0.00 -0.87 0.00 0.00 66.00 64.46 1r4y h PRO 87 Cb 1.20 0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1r4y h PRO 87 CO 0.62 1.07 0.44 0.22 -0.23 0.00 0.00 178.00 180.12 1r4y h ASP 88 N -0.26 0.00 0.00 1.44 1.82 -1.96 -3.43 116.42 114.04 1r4y h ASP 88 Ca -0.07 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 1r4y h ASP 88 Cb 1.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.27 1r4y h ASP 88 CO 0.10 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.34 1r4y n GLY 89 N -1.61 2.80 3.60 -0.78 0.00 -1.19 -5.00 105.19 103.01 1r4y n GLY 89 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 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 1.41 -1.87 1.61 1.44 -1.26 -4.82 115.22 109.73 1r4y n HIS 90 Ca 0.00 0.67 -0.39 0.00 -2.01 0.00 0.00 57.72 55.99 1r4y n HIS 90 Cb 0.00 -2.28 0.02 0.00 0.12 0.00 0.00 29.99 27.85 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 -0.41 5.88 0.19 4.39 -1.08 -1.26 -4.85 116.67 119.52 1r4y s ASP 91 Ca 0.61 2.81 0.01 0.00 -0.52 0.00 0.00 52.55 55.46 1r4y s ASP 91 Cb -0.71 -2.65 -0.04 0.00 -1.46 0.00 0.00 42.92 38.07 1r4y s ASP 91 CO 0.58 -1.16 0.36 -0.31 0.52 0.00 0.00 175.17 175.16 1r4y s TYR 92 N -1.24 3.48 -0.84 -5.34 2.02 -1.26 -4.98 117.35 109.18 1r4y s TYR 92 Ca 0.62 0.25 -0.07 0.00 -0.37 0.00 0.00 57.07 57.49 1r4y s TYR 92 Cb -0.41 -1.77 -0.13 0.00 -0.40 0.00 0.00 41.96 39.24 1r4y s TYR 92 CO 0.52 0.42 3.17 0.36 -1.57 0.00 0.00 175.55 178.46 1r4y n LYS 93 N -0.69 2.98 0.21 -0.62 2.85 -1.26 -4.42 118.16 117.21 1r4y n LYS 93 Ca -0.06 -1.83 0.07 0.00 -1.05 0.00 0.00 58.31 55.44 1r4y n LYS 93 Cb 0.54 -2.41 0.44 0.00 -0.65 0.00 0.00 35.03 32.95 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 3.99 0.00 0.00 5.58 -5.15 -1.94 -3.17 116.94 116.26 1r4y h PHE 94 Ca 0.54 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 58.28 1r4y h PHE 94 Cb 0.83 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.99 1r4y h PHE 94 CO 1.79 0.31 -1.08 -3.47 -2.00 0.00 0.00 178.31 173.86 1r4y n ASP 95 N -3.70 0.85 -4.19 -0.68 2.03 -1.26 0.71 116.55 110.31 1r4y n ASP 95 Ca -0.01 0.34 -0.39 0.00 0.52 0.00 0.00 54.79 55.24 1r4y n ASP 95 Cb 0.42 0.40 -0.10 0.00 -0.72 0.00 0.00 41.12 41.12 1r4y n ASP 95 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1r4y s SER 96 N -5.43 5.55 0.34 1.67 0.01 -1.20 -1.40 113.70 113.25 1r4y s SER 96 Ca -0.01 -1.86 0.13 0.00 1.31 0.00 0.00 55.95 55.51 1r4y s SER 96 Cb 0.09 -1.95 0.62 0.00 0.21 0.00 0.00 66.02 65.00 1r4y s SER 96 CO 0.79 -0.62 1.76 0.07 0.41 0.00 0.00 173.24 175.66 1r4y h LYS 97 N 8.32 0.00 -4.42 12.44 2.10 -1.77 -3.38 116.57 129.87 1r4y h LYS 97 Ca -0.19 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.86 1r4y h LYS 97 Cb 1.07 0.00 -0.37 0.00 -0.90 0.00 0.00 32.23 32.02 1r4y h LYS 97 CO 0.79 0.44 -0.80 0.15 -2.00 0.00 0.00 179.45 178.03 1r4y s LYS 98 N -3.97 1.78 1.08 0.07 1.02 -1.26 -2.61 119.74 115.86 1r4y s LYS 98 Ca -0.02 -0.81 -0.15 0.00 0.02 0.00 0.00 55.97 55.00 1r4y s LYS 98 Cb 0.14 -2.38 0.23 0.00 -0.52 0.00 0.00 37.83 35.30 1r4y s LYS 98 CO 0.73 -0.48 1.11 -1.25 -0.92 0.00 0.00 175.35 174.54 1r4y s PRO 99 N 1.45 -0.27 0.04 -1.68 0.04 -1.26 -5.17 135.00 128.15 1r4y s PRO 99 Ca -0.02 0.22 0.05 0.00 0.04 0.00 0.00 61.00 61.29 1r4y s PRO 99 Cb -0.17 -1.68 -0.02 0.00 0.04 0.00 0.00 34.50 32.67 1r4y s PRO 99 CO -0.07 -3.14 -0.14 0.15 0.04 0.00 0.00 177.00 173.84 1r4y s LYS 100 N -5.18 0.91 0.49 4.56 -0.14 -1.07 -4.78 119.74 114.52 1r4y s LYS 100 Ca 0.68 -0.76 0.06 0.00 -1.36 0.00 0.00 55.97 54.59 1r4y s LYS 100 Cb -0.14 -0.91 0.01 0.00 -1.68 0.00 0.00 37.83 35.11 1r4y s LYS 100 CO 0.57 0.22 0.35 -2.00 -0.76 0.00 0.00 175.35 173.73 1r4y s GLU 101 N -1.16 2.31 0.26 1.68 2.56 -1.26 -5.11 118.70 117.97 1r4y s GLU 101 Ca 0.01 -1.89 -0.30 0.00 0.00 0.00 0.00 54.97 52.79 1r4y s GLU 101 Cb -0.08 -2.13 -0.09 0.00 2.00 0.00 0.00 34.13 33.83 1r4y s GLU 101 CO 0.01 -0.43 1.04 1.21 -0.56 0.00 0.00 175.26 176.53 1r4y s ASN 102 N -4.18 7.41 0.56 -1.70 2.47 -1.26 -5.06 114.94 113.18 1r4y s ASN 102 Ca 0.38 2.14 0.00 0.00 0.42 0.00 0.00 52.86 55.80 1r4y s ASN 102 Cb -0.01 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.17 1r4y s ASN 102 CO 0.23 -0.03 0.00 -0.81 -3.72 0.00 0.00 177.10 172.76 1r4y n PRO 103 N 1.35 0.03 -4.21 0.43 -0.04 -1.26 -5.10 135.00 126.20 1r4y n PRO 103 Ca -0.01 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.33 1r4y n PRO 103 Cb 0.46 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.82 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 -1.92 1.09 -0.10 0.55 0.00 -1.26 -5.08 107.32 100.60 1r4y s GLY 104 Ca 0.00 -1.52 -0.28 0.00 0.00 0.00 0.00 44.72 42.92 1r4y s GLY 104 CO 0.00 -1.48 0.93 -0.56 0.00 0.00 0.00 173.10 171.99 1r4y h PRO 105 N 2.78 -0.00 -6.87 2.90 0.13 -1.95 -3.45 132.00 125.55 1r4y h PRO 105 Ca -0.36 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.28 1r4y h PRO 105 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1r4y h PRO 105 CO 0.62 0.82 0.44 0.00 -0.23 0.00 0.00 178.00 179.65 1r4y s ALA 106 N -2.89 3.27 -0.02 -0.56 0.00 -1.26 -4.67 121.76 115.62 1r4y s ALA 106 Ca -0.18 0.79 -0.05 0.00 0.00 0.00 0.00 51.96 52.51 1r4y s ALA 106 Cb -0.01 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1r4y s ALA 106 CO 0.68 -0.14 0.12 1.03 0.00 0.00 0.00 175.76 177.44 1r4y s ARG 107 N -1.86 0.33 -0.11 0.00 0.52 -1.16 -3.36 118.95 113.30 1r4y s ARG 107 Ca 0.50 -0.17 -0.30 0.00 -0.52 0.00 0.00 55.73 55.24 1r4y s ARG 107 Cb -0.27 0.14 -0.01 0.00 0.52 0.00 0.00 34.95 35.32 1r4y s ARG 107 CO 0.34 -0.07 1.05 0.54 0.02 0.00 0.00 175.30 177.18 1r4y s VAL 108 N -0.77 4.68 -0.08 3.52 0.11 0.15 -2.24 120.40 125.77 1r4y s VAL 108 Ca -0.09 1.96 -0.03 0.00 -2.93 0.00 0.00 61.98 60.89 1r4y s VAL 108 Cb -0.05 -4.26 -0.04 0.00 -1.53 0.00 0.00 36.38 30.50 1r4y s VAL 108 CO 0.01 -0.01 0.07 -0.63 -3.33 0.00 0.00 175.10 171.20 1r4y s ILE 109 N 2.14 4.81 -0.09 7.04 -1.09 0.57 -1.78 121.20 132.80 1r4y s ILE 109 Ca 0.49 -0.14 -0.30 0.00 -2.23 0.00 0.00 60.65 58.48 1r4y s ILE 109 Cb -0.19 -3.09 0.11 0.00 -1.58 0.00 0.00 42.46 37.70 1r4y s ILE 109 CO 0.18 0.55 0.88 -0.72 -1.23 0.00 0.00 174.94 174.60 1r4y s TYR 110 N -1.01 -0.44 0.58 3.97 -0.85 -1.20 -0.57 117.35 117.82 1r4y s TYR 110 Ca 0.16 0.65 -0.02 0.00 -0.52 0.00 0.00 57.07 57.34 1r4y s TYR 110 Cb -0.12 0.46 0.03 0.00 0.38 0.00 0.00 41.96 42.71 1r4y s TYR 110 CO 0.06 -0.47 0.84 0.95 -1.52 0.00 0.00 175.55 175.41 1r4y s THR 111 N -1.65 3.07 0.15 -3.49 -4.23 -1.24 -1.75 115.64 106.50 1r4y s THR 111 Ca -0.02 -0.38 0.06 0.00 -1.18 0.00 0.00 61.69 60.16 1r4y s THR 111 Cb -0.00 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 1r4y s THR 111 CO 0.01 -0.17 0.05 -0.47 -0.54 0.00 0.00 174.62 173.50 1r4y s TYR 112 N -2.89 2.99 -0.08 3.99 6.14 -1.14 -3.45 117.35 122.92 1r4y s TYR 112 Ca 0.55 -0.07 -0.17 0.00 0.64 0.00 0.00 57.07 58.02 1r4y s TYR 112 Cb -0.10 -1.46 -0.14 0.00 0.42 0.00 0.00 41.96 40.68 1r4y s TYR 112 CO 0.41 0.51 0.63 -1.00 0.64 0.00 0.00 175.55 176.75 1r4y h PRO 113 N 2.74 -0.15 -6.01 4.97 0.13 -1.84 -3.38 132.00 128.46 1r4y h PRO 113 Ca -0.47 0.01 -0.75 0.00 -0.87 0.00 0.00 66.00 63.92 1r4y h PRO 113 Cb 1.19 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1r4y h PRO 113 CO 0.60 0.28 1.23 -1.71 -0.23 0.00 0.00 178.00 178.17 1r4y n ASN 114 N -4.85 1.40 -4.20 1.44 5.15 -1.26 -4.72 115.26 108.23 1r4y n ASN 114 Ca -0.06 0.70 -0.31 0.00 -0.60 0.00 0.00 54.58 54.31 1r4y n ASN 114 Cb 0.24 -1.03 -0.08 0.00 -0.53 0.00 0.00 39.78 38.38 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 7.09 1.02 -1.66 1.20 5.02 -1.22 -4.28 118.16 125.33 1r4y n LYS 115 Ca 0.45 -1.95 -0.41 0.00 -2.02 0.00 0.00 58.31 54.38 1r4y n LYS 115 Cb 0.06 -3.41 -0.03 0.00 -0.02 0.00 0.00 35.03 31.63 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 7.54 2.81 -1.25 -0.18 0.31 -1.23 -4.81 118.33 121.53 1r4y n VAL 116 Ca 0.46 -2.56 -0.58 0.00 -0.01 0.00 0.00 64.34 61.64 1r4y n VAL 116 Cb 0.45 -2.44 -0.11 0.00 -0.91 0.00 0.00 33.84 30.82 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 7.55 1.17 0.06 3.52 -0.00 -1.26 -3.62 117.46 124.87 1r4y n PHE 117 Ca 0.50 0.78 0.06 0.00 -0.00 0.00 0.00 57.45 58.79 1r4y n PHE 117 Cb 0.41 -2.18 -0.06 0.00 -0.00 0.00 0.00 39.48 37.66 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 1.30 0.80 3.73 0.00 0.00 -1.22 -4.93 105.19 104.86 1r4y n GLY 119 Ca -0.06 -2.01 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.47 4.19 0.19 -0.61 1.09 -1.26 -0.31 121.20 123.02 1r4y s ILE 120 Ca 0.00 -1.01 0.11 0.00 -1.10 0.00 0.00 60.65 58.65 1r4y s ILE 120 Cb 0.00 -3.04 -0.04 0.00 -1.06 0.00 0.00 42.46 38.31 1r4y s ILE 120 CO 0.00 0.05 -0.23 0.27 -0.10 0.00 0.00 174.94 174.93 1r4y s ILE 121 N -1.47 2.26 -0.18 2.92 -4.36 -0.95 0.46 121.20 119.88 1r4y s ILE 121 Ca 0.28 -2.03 -0.33 0.00 -0.26 0.00 0.00 60.65 58.30 1r4y s ILE 121 Cb -0.11 -2.08 0.14 0.00 1.25 0.00 0.00 42.46 41.66 1r4y s ILE 121 CO 0.20 -0.17 1.18 0.00 0.24 0.00 0.00 174.94 176.39 1r4y s ALA 122 N -1.79 -2.04 -0.75 2.27 0.00 -0.52 -3.01 121.76 115.91 1r4y s ALA 122 Ca 0.20 1.58 -0.20 0.00 0.00 0.00 0.00 51.96 53.54 1r4y s ALA 122 Cb -0.07 -0.28 0.11 0.00 0.00 0.00 0.00 23.12 22.87 1r4y s ALA 122 CO 0.10 -0.54 0.96 -1.01 0.00 0.00 0.00 175.76 175.27 1r4y s HIS 123 N -2.20 2.96 -0.50 0.00 3.76 -1.26 -2.65 115.29 115.40 1r4y s HIS 123 Ca 0.08 -1.02 0.00 0.00 -0.15 0.00 0.00 55.06 53.97 1r4y s HIS 123 Cb -0.01 -4.21 0.44 0.00 1.11 0.00 0.00 32.58 29.91 1r4y s HIS 123 CO -0.05 -1.49 1.94 -2.37 -0.85 0.00 0.00 174.74 171.93 1r4y n THR 124 N 5.60 3.20 -0.08 1.30 5.66 -1.26 -4.22 114.28 124.48 1r4y n THR 124 Ca 0.06 -2.22 -0.07 0.00 -3.05 0.00 0.00 64.05 58.77 1r4y n THR 124 Cb 0.46 -0.98 -0.15 0.00 -1.55 0.00 0.00 70.33 68.11 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 -0.66 0.90 0.04 1.09 3.00 -1.26 -5.02 118.16 116.25 1r4y n LYS 125 Ca 0.52 -0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.80 1r4y n LYS 125 Cb 0.93 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 34.48 1r4y n LYS 125 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1r4y n GLU 126 N -2.63 0.00 0.00 1.64 0.00 -1.26 -5.02 120.64 113.37 1r4y n GLU 126 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.89 1r4y n GLU 126 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.47 1r4y n GLU 126 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1r4y n ASN 127 N -2.43 0.00 -2.96 4.31 5.15 -1.26 -5.03 115.26 113.04 1r4y n ASN 127 Ca 0.00 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.86 1r4y n ASN 127 Cb 0.00 0.19 -0.02 0.00 -0.53 0.00 0.00 39.78 39.41 1r4y n ASN 127 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1r4y n GLN 128 N -1.98 0.45 0.00 1.20 7.27 -1.26 -4.83 117.38 118.24 1r4y n GLN 128 Ca 0.00 -2.39 0.00 0.00 0.07 0.00 0.00 57.00 54.68 1r4y n GLN 128 Cb 0.00 -1.52 0.00 0.00 2.41 0.00 0.00 30.24 31.13 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 2.79 1.82 3.87 1.69 0.00 -1.26 -5.11 105.19 108.98 1r4y n GLY 129 Ca 0.21 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1r4y n GLY 129 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r4y s GLU 130 N 1.35 3.81 0.02 1.61 2.56 -1.26 -5.00 118.70 121.79 1r4y s GLU 130 Ca 0.00 0.30 0.01 0.00 0.00 0.00 0.00 54.97 55.28 1r4y s GLU 130 Cb 0.00 -2.61 -0.04 0.00 2.00 0.00 0.00 34.13 33.48 1r4y s GLU 130 CO 0.00 0.28 0.07 -1.17 -0.56 0.00 0.00 175.26 173.88 1r4y s LEU 131 N -2.94 3.84 0.23 2.70 0.20 -1.26 -4.08 118.68 117.36 1r4y s LEU 131 Ca 0.48 0.09 -0.13 0.00 0.69 0.00 0.00 54.13 55.26 1r4y s LEU 131 Cb -0.11 -2.30 0.00 0.00 -0.43 0.00 0.00 46.19 43.35 1r4y s LEU 131 CO 0.22 0.25 0.46 -1.59 -0.29 0.00 0.00 176.35 175.40 1r4y s LYS 132 N -1.88 1.46 0.19 1.98 -2.85 -1.08 -4.93 119.74 112.63 1r4y s LYS 132 Ca 0.24 -1.17 -0.24 0.00 -1.00 0.00 0.00 55.97 53.81 1r4y s LYS 132 Cb -0.12 0.47 -0.08 0.00 -2.06 0.00 0.00 37.83 36.04 1r4y s LYS 132 CO 0.16 -0.60 0.77 -1.17 0.10 0.00 0.00 175.35 174.60 1r4y s LEU 133 N -2.98 4.51 0.00 2.77 2.96 -1.26 -1.45 118.68 123.23 1r4y s LEU 133 Ca 0.19 1.59 -0.23 0.00 -0.22 0.00 0.00 54.13 55.46 1r4y s LEU 133 Cb -0.00 -3.40 0.36 0.00 0.50 0.00 0.00 46.19 43.65 1r4y s LEU 133 CO 0.06 0.15 0.84 0.00 -1.32 0.00 0.00 176.35 176.08 1r4y s SER 135 N -3.13 -1.33 0.00 0.00 0.01 -1.07 -4.85 113.70 103.33 1r4y s SER 135 Ca 0.64 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1r4y s SER 135 Cb -0.11 1.84 0.00 0.00 0.21 0.00 0.00 66.02 67.96 1r4y s SER 135 CO 0.54 -0.15 0.00 0.00 0.41 0.00 0.00 173.24 174.04