#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 4.33 -0.41 0.00 0.11 -1.26 -4.90 120.40 118.27 1r4y s VAL 2 Ca 0.00 -0.36 -0.25 0.00 -2.93 0.00 0.00 61.98 58.44 1r4y s VAL 2 Cb 0.00 -2.87 0.02 0.00 -1.53 0.00 0.00 36.38 32.00 1r4y s VAL 2 CO 0.00 0.51 0.88 -0.89 -3.33 0.00 0.00 175.10 172.27 1r4y s THR 3 N -0.98 4.58 0.23 5.04 2.01 -1.26 -0.80 115.64 124.45 1r4y s THR 3 Ca 0.16 0.88 -0.30 0.00 0.31 0.00 0.00 61.69 62.74 1r4y s THR 3 Cb -0.11 -4.35 -0.09 0.00 0.01 0.00 0.00 72.50 67.96 1r4y s THR 3 CO 0.06 -0.65 0.97 0.26 -0.69 0.00 0.00 174.62 174.57 1r4y s TRP 4 N 3.49 3.90 -0.14 4.92 0.52 0.44 -4.23 118.94 127.84 1r4y s TRP 4 Ca 0.35 1.87 0.02 0.00 0.02 0.00 0.00 56.10 58.36 1r4y s TRP 4 Cb -0.11 -3.04 0.01 0.00 -1.15 0.00 0.00 33.47 29.18 1r4y s TRP 4 CO 0.22 0.26 -0.20 0.99 0.02 0.00 0.00 176.95 178.24 1r4y s THR 5 N -0.99 1.91 -0.42 2.01 2.01 -1.26 -0.04 115.64 118.87 1r4y s THR 5 Ca 0.42 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.58 1r4y s THR 5 Cb -0.27 -1.71 0.45 0.00 0.01 0.00 0.00 72.50 70.99 1r4y s THR 5 CO 0.33 0.52 1.46 0.00 -0.69 0.00 0.00 174.62 176.24 1r4y n GLY 7 N -0.76 1.05 0.00 0.00 0.00 -1.26 -4.62 105.19 99.60 1r4y n GLY 7 Ca 0.50 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -0.56 3.66 -0.02 0.00 -1.26 -5.04 105.19 101.97 1r4y n GLY 8 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.13 3.48 -0.24 0.99 2.01 -1.26 -5.09 118.68 118.43 1r4y s LEU 9 Ca 0.00 0.09 -0.07 0.00 0.01 0.00 0.00 54.13 54.16 1r4y s LEU 9 Cb 0.00 -1.81 -0.03 0.00 0.01 0.00 0.00 46.19 44.36 1r4y s LEU 9 CO 0.00 0.37 0.07 -0.76 1.01 0.00 0.00 176.35 177.03 1r4y s LEU 10 N -0.93 3.46 -0.38 1.79 1.43 -1.26 -3.35 118.68 119.44 1r4y s LEU 10 Ca 0.14 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1r4y s LEU 10 Cb -0.11 -1.92 0.11 0.00 0.03 0.00 0.00 46.19 44.29 1r4y s LEU 10 CO 0.03 -0.01 0.14 -0.31 0.23 0.00 0.00 176.35 176.42 1r4y s TYR 11 N 1.49 3.67 -0.01 0.29 2.02 0.95 -4.45 117.35 121.30 1r4y s TYR 11 Ca 0.06 -2.67 -0.33 0.00 -0.37 0.00 0.00 57.07 53.75 1r4y s TYR 11 Cb -0.15 -3.10 -0.12 0.00 -0.40 0.00 0.00 41.96 38.19 1r4y s TYR 11 CO 0.03 -0.96 1.84 -1.71 -1.57 0.00 0.00 175.55 173.18 1r4y n ASN 12 N 4.44 3.55 -0.22 2.29 4.05 -1.26 -0.42 115.26 127.70 1r4y n ASN 12 Ca 0.00 0.98 0.02 0.00 0.45 0.00 0.00 54.58 56.04 1r4y n ASN 12 Cb 0.42 -1.42 0.13 0.00 1.23 0.00 0.00 39.78 40.14 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 8.79 0.20 -0.93 1.20 5.75 -1.32 0.29 115.11 129.11 1r4y h GLN 13 Ca -0.48 -0.01 0.20 0.00 -0.15 0.00 0.00 58.65 58.20 1r4y h GLN 13 Cb 1.26 -0.05 -0.11 0.00 1.07 0.00 0.00 27.48 29.65 1r4y h GLN 13 CO 0.94 0.13 0.49 -0.97 -2.65 0.00 0.00 178.83 176.77 1r4y h ASN 14 N 0.21 0.56 -0.12 -0.69 -0.73 -1.88 0.50 115.58 113.42 1r4y h ASN 14 Ca 0.35 0.12 -0.15 0.00 1.87 0.00 0.00 56.30 58.49 1r4y h ASN 14 Cb 0.57 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 39.19 1r4y h ASN 14 CO -0.48 0.15 -0.45 0.11 -0.37 0.00 0.00 177.43 176.39 1r4y h LYS 15 N 0.58 0.67 -0.61 6.67 1.57 -0.90 0.54 116.57 125.09 1r4y h LYS 15 Ca 0.55 -0.37 0.07 0.00 -1.87 0.00 0.00 60.65 59.03 1r4y h LYS 15 Cb 0.93 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.21 1r4y h LYS 15 CO -0.44 0.98 0.30 0.00 -0.57 0.00 0.00 179.45 179.72 1r4y h ALA 16 N 0.97 0.80 0.17 3.86 0.00 0.23 0.73 119.26 126.02 1r4y h ALA 16 Ca 0.03 0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.66 1r4y h ALA 16 Cb 0.99 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1r4y h ALA 16 CO 0.09 -0.06 -1.51 1.05 0.00 0.00 0.00 179.25 178.82 1r4y h GLU 17 N 0.56 0.37 0.31 0.00 4.11 -0.89 -3.22 114.58 115.81 1r4y h GLU 17 Ca 0.28 -0.63 -0.02 0.00 0.07 0.00 0.00 59.36 59.07 1r4y h GLU 17 Cb 0.23 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1r4y h GLU 17 CO -0.21 1.27 -0.15 1.03 0.07 0.00 0.00 179.01 181.02 1r4y h SER 18 N 0.10 -0.35 -1.24 3.06 0.87 0.31 0.68 113.55 116.98 1r4y h SER 18 Ca -0.25 0.01 0.44 0.00 -1.23 0.00 0.00 61.79 60.77 1r4y h SER 18 Cb 2.07 0.09 -0.15 0.00 -0.44 0.00 0.00 62.40 63.97 1r4y h SER 18 CO 0.21 0.10 0.76 -1.13 -0.53 0.00 0.00 176.83 176.24 1r4y h ASN 19 N -1.11 0.26 0.46 6.23 -0.00 0.32 0.40 115.58 122.13 1r4y h ASN 19 Ca -0.04 0.18 -0.31 0.00 -0.00 0.00 0.00 56.30 56.14 1r4y h ASN 19 Cb 0.32 0.18 0.00 0.00 -0.00 0.00 0.00 38.32 38.82 1r4y h ASN 19 CO 0.07 -0.29 -1.46 0.77 -0.00 0.00 0.00 177.43 176.52 1r4y h SER 20 N 0.04 0.48 -1.06 1.15 4.64 -1.54 -3.30 113.55 113.95 1r4y h SER 20 Ca 0.85 -0.60 0.32 0.00 -0.47 0.00 0.00 61.79 61.89 1r4y h SER 20 Cb 2.55 -0.16 -0.13 0.00 -0.31 0.00 0.00 62.40 64.36 1r4y h SER 20 CO -0.55 1.49 0.64 0.45 -0.87 0.00 0.00 176.83 177.99 1r4y h HIS 21 N 0.08 0.82 -0.06 4.77 3.86 0.49 0.12 115.15 125.22 1r4y h HIS 21 Ca -0.22 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 58.97 1r4y h HIS 21 Cb 2.03 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 30.28 1r4y h HIS 21 CO 0.08 -0.10 -0.16 0.45 0.86 0.00 0.00 177.93 179.06 1r4y h HIS 22 N 0.34 0.28 -0.89 2.45 3.86 -1.62 -3.46 115.15 116.11 1r4y h HIS 22 Ca 0.71 -0.11 -0.70 0.00 -1.16 0.00 0.00 60.37 59.10 1r4y h HIS 22 Cb 1.72 -0.05 0.05 0.00 1.06 0.00 0.00 27.41 30.19 1r4y h HIS 22 CO -0.01 0.77 0.04 0.00 0.86 0.00 0.00 177.93 179.60 1r4y n ALA 23 N -2.45 -3.31 -2.35 2.45 0.00 0.40 -4.84 120.51 110.41 1r4y n ALA 23 Ca -0.08 0.53 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 1r4y n ALA 23 Cb 0.40 -1.57 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 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 -0.02 4.31 -0.70 0.00 0.04 -1.26 -4.90 135.00 132.46 1r4y s PRO 24 Ca 0.81 1.80 -0.26 0.00 0.04 0.00 0.00 61.00 63.39 1r4y s PRO 24 Cb -1.13 -3.60 -0.11 0.00 0.04 0.00 0.00 34.50 29.70 1r4y s PRO 24 CO 0.51 -0.54 2.37 -1.17 0.04 0.00 0.00 177.00 178.21 1r4y s LEU 25 N 2.48 3.05 0.00 -3.56 2.96 -1.26 -4.63 118.68 117.72 1r4y s LEU 25 Ca 0.59 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.83 1r4y s LEU 25 Cb -0.27 -2.54 0.00 0.00 0.50 0.00 0.00 46.19 43.88 1r4y s LEU 25 CO 0.23 -3.49 0.00 -1.20 -1.32 0.00 0.00 176.35 170.57 1r4y n SER 26 N 17.49 0.00 -4.64 3.68 7.64 -1.26 -5.01 113.62 131.51 1r4y n SER 26 Ca 0.43 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.93 1r4y n SER 26 Cb 0.47 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.59 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 6.31 -0.79 6.43 -1.08 -1.26 -4.18 116.67 122.11 1r4y s ASP 27 Ca 0.00 0.36 -0.01 0.00 -0.52 0.00 0.00 52.55 52.39 1r4y s ASP 27 Cb 0.00 -2.20 0.00 0.00 -1.46 0.00 0.00 42.92 39.26 1r4y s ASP 27 CO 0.00 -0.10 0.64 0.61 0.52 0.00 0.00 175.17 176.84 1r4y n GLY 28 N 4.28 -1.27 1.30 2.66 0.00 -0.85 -4.66 105.19 106.64 1r4y n GLY 28 Ca -0.09 0.57 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.24 0.03 -4.38 1.61 5.02 -1.25 -5.05 118.16 111.89 1r4y n LYS 29 Ca -0.19 -1.56 -0.22 0.00 -2.02 0.00 0.00 58.31 54.31 1r4y n LYS 29 Cb 0.62 0.21 -0.13 0.00 -0.02 0.00 0.00 35.03 35.71 1r4y n LYS 29 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1r4y s THR 30 N -0.04 1.40 0.21 -0.18 -4.23 -1.26 -5.03 115.64 106.52 1r4y s THR 30 Ca 0.19 -1.23 -0.21 0.00 -1.18 0.00 0.00 61.69 59.25 1r4y s THR 30 Cb 0.22 -1.27 0.15 0.00 1.34 0.00 0.00 72.50 72.94 1r4y s THR 30 CO -0.09 0.00 1.56 1.23 -0.54 0.00 0.00 174.62 176.78 1r4y h GLY 31 N 4.60 -0.15 0.00 3.99 0.00 -1.37 -2.79 103.07 107.35 1r4y h GLY 31 Ca -0.42 0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1r4y h GLY 31 CO 0.42 -0.16 0.00 -1.26 0.00 0.00 0.00 176.54 175.54 1r4y n SER 32 N -5.43 0.00 0.00 0.19 2.88 -0.43 -3.88 113.62 106.95 1r4y n SER 32 Ca 0.07 0.78 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1r4y n SER 32 Cb 0.37 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 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 -1.90 0.00 -4.76 -3.46 3.41 -1.06 -4.99 113.62 100.86 1r4y n SER 33 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 1r4y n SER 33 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1r4y n SER 33 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1r4y s TYR 34 N 0.00 2.50 0.79 7.33 2.02 -1.26 -3.91 117.35 124.82 1r4y s TYR 34 Ca 0.00 1.54 -0.11 0.00 -0.37 0.00 0.00 57.07 58.13 1r4y s TYR 34 Cb 0.00 -3.35 0.06 0.00 -0.40 0.00 0.00 41.96 38.28 1r4y s TYR 34 CO 0.00 -1.92 1.09 -1.25 -1.57 0.00 0.00 175.55 171.90 1r4y s PRO 35 N -3.54 2.16 0.09 -1.71 0.04 -1.26 -4.66 135.00 126.11 1r4y s PRO 35 Ca 0.73 0.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.43 1r4y s PRO 35 Cb -0.26 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1r4y s PRO 35 CO 0.34 -1.58 0.09 -3.38 0.04 0.00 0.00 177.00 172.51 1r4y s HIS 36 N -3.12 0.44 0.35 0.56 -3.43 -1.04 -2.02 115.29 107.02 1r4y s HIS 36 Ca 0.61 -0.90 -0.29 0.00 -0.80 0.00 0.00 55.06 53.68 1r4y s HIS 36 Cb -0.15 -0.26 -0.11 0.00 -1.43 0.00 0.00 32.58 30.63 1r4y s HIS 36 CO 0.54 -0.49 1.50 1.87 -2.00 0.00 0.00 174.74 176.16 1r4y n TRP 37 N -0.01 2.89 -3.61 0.38 -0.00 -1.26 -0.88 117.44 114.95 1r4y n TRP 37 Ca -0.12 0.41 -0.38 0.00 -0.00 0.00 0.00 57.50 57.40 1r4y n TRP 37 Cb 0.62 -2.54 -0.07 0.00 -0.00 0.00 0.00 31.31 29.33 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 -0.82 3.70 0.44 5.87 5.36 0.11 -4.71 117.98 127.94 1r4y s PHE 38 Ca 0.56 -2.73 0.35 0.00 -0.96 0.00 0.00 56.93 54.15 1r4y s PHE 38 Cb -0.49 -3.35 1.46 0.00 -0.34 0.00 0.00 43.02 40.31 1r4y s PHE 38 CO 0.60 -0.83 1.47 0.25 -1.46 0.00 0.00 175.22 175.25 1r4y n THR 39 N 3.05 -0.18 -1.68 0.12 -2.24 -1.26 -4.37 114.28 107.72 1r4y n THR 39 Ca 0.15 1.63 -0.14 0.00 -2.27 0.00 0.00 64.05 63.41 1r4y n THR 39 Cb 0.39 -2.68 -0.05 0.00 -2.10 0.00 0.00 70.33 65.89 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 -4.40 -3.97 0.00 3.42 5.15 -1.26 0.25 115.26 114.44 1r4y n ASN 40 Ca 0.39 0.30 0.00 0.00 -0.60 0.00 0.00 54.58 54.67 1r4y n ASN 40 Cb 1.58 -3.58 0.00 0.00 -0.53 0.00 0.00 39.78 37.26 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 -0.42 3.07 3.31 8.20 0.00 -1.26 -4.08 105.19 114.01 1r4y n GLY 41 Ca -0.15 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.31 0.08 1.61 4.01 0.14 -4.47 117.16 116.22 1r4y n TYR 42 Ca 0.00 0.41 -0.18 0.00 -0.16 0.00 0.00 57.90 57.97 1r4y n TYR 42 Cb 0.00 -1.76 -0.14 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 -0.05 0.47 0.00 7.72 3.32 -1.75 -3.44 116.42 122.70 1r4y h ASP 43 Ca -0.43 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.03 1r4y h ASP 43 Cb 1.42 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1r4y h ASP 43 CO 0.42 1.49 0.00 0.61 -1.72 0.00 0.00 179.24 180.03 1r4y n GLY 44 N 1.66 -2.00 0.48 2.75 0.00 -1.26 -5.07 105.19 101.75 1r4y n GLY 44 Ca -0.15 0.60 -0.01 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.19 0.31 -3.02 1.61 9.92 -1.26 -2.78 116.55 120.14 1r4y n ASP 45 Ca 0.00 0.05 -0.02 0.00 -0.53 0.00 0.00 54.79 54.29 1r4y n ASP 45 Cb 0.00 -0.32 0.02 0.00 -0.64 0.00 0.00 41.12 40.17 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 2.44 -3.04 0.00 0.44 0.00 -1.26 -3.51 105.19 100.25 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 -1.81 -1.07 -2.48 1.61 5.02 -1.26 -4.41 118.16 113.76 1r4y n LYS 47 Ca 0.01 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.03 1r4y n LYS 47 Cb 0.04 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.07 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 3.35 1.01 -0.35 1.02 -1.26 -3.06 118.68 119.39 1r4y s LEU 48 Ca 0.00 0.76 -0.14 0.00 0.02 0.00 0.00 54.13 54.77 1r4y s LEU 48 Cb 0.00 -3.63 0.19 0.00 0.02 0.00 0.00 46.19 42.78 1r4y s LEU 48 CO 0.00 -0.92 1.12 -2.16 0.02 0.00 0.00 176.35 174.41 1r4y s PRO 49 N -4.91 0.35 -0.62 1.29 0.04 -1.26 -4.85 135.00 125.04 1r4y s PRO 49 Ca 0.52 0.30 -0.26 0.00 0.04 0.00 0.00 61.00 61.60 1r4y s PRO 49 Cb -0.10 -1.75 -0.11 0.00 0.04 0.00 0.00 34.50 32.58 1r4y s PRO 49 CO 0.45 -2.74 2.43 1.17 0.04 0.00 0.00 177.00 178.34 1r4y n LYS 50 N -4.14 0.82 0.00 4.56 4.81 -1.26 -3.86 118.16 119.09 1r4y n LYS 50 Ca 0.07 -0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.22 1r4y n LYS 50 Cb 0.58 -3.41 0.00 0.00 0.02 0.00 0.00 35.03 32.22 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 6.29 0.61 3.59 3.14 0.00 -1.26 -5.18 105.19 112.38 1r4y n GLY 51 Ca 0.42 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.09 0.99 -0.32 1.61 1.81 -1.25 -5.14 118.95 116.55 1r4y s ARG 52 Ca 0.00 -0.45 -0.00 0.00 -1.72 0.00 0.00 55.73 53.56 1r4y s ARG 52 Cb 0.00 0.40 0.13 0.00 -0.45 0.00 0.00 34.95 35.03 1r4y s ARG 52 CO 0.00 -0.44 0.25 0.99 -0.68 0.00 0.00 175.30 175.42 1r4y s THR 53 N -3.22 -0.16 0.94 0.02 2.01 -1.26 -5.06 115.64 108.91 1r4y s THR 53 Ca 0.07 -1.00 -0.12 0.00 0.31 0.00 0.00 61.69 60.95 1r4y s THR 53 Cb -0.01 -0.95 0.16 0.00 0.01 0.00 0.00 72.50 71.71 1r4y s THR 53 CO -0.05 -0.70 1.12 -2.16 -0.69 0.00 0.00 174.62 172.14 1r4y s PRO 54 N 1.73 0.86 -0.16 4.92 0.04 -1.26 -4.76 135.00 136.38 1r4y s PRO 54 Ca 0.13 0.38 -0.09 0.00 0.04 0.00 0.00 61.00 61.46 1r4y s PRO 54 Cb -0.17 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 1r4y s PRO 54 CO -0.18 -2.40 0.15 0.42 0.04 0.00 0.00 177.00 175.03 1r4y s ILE 55 N -3.15 5.43 0.46 0.56 1.01 -1.26 -5.06 121.20 119.18 1r4y s ILE 55 Ca 0.64 0.24 -0.08 0.00 0.00 0.00 0.00 60.65 61.45 1r4y s ILE 55 Cb -0.16 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 1r4y s ILE 55 CO 0.55 0.51 0.80 -0.75 0.00 0.00 0.00 174.94 176.05 1r4y s LYS 56 N -0.22 3.66 0.00 2.79 2.47 -1.26 -4.95 119.74 122.22 1r4y s LYS 56 Ca 0.12 0.38 0.00 0.00 -1.56 0.00 0.00 55.97 54.90 1r4y s LYS 56 Cb -0.12 -2.35 0.00 0.00 -1.46 0.00 0.00 37.83 33.90 1r4y s LYS 56 CO 0.01 -0.16 0.00 1.19 0.16 0.00 0.00 175.35 176.55 1r4y n PHE 57 N -1.87 -0.06 0.00 4.03 3.72 -1.26 -4.91 117.46 117.12 1r4y n PHE 57 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1r4y n PHE 57 Cb 0.54 0.34 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 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 1.40 0.87 3.79 1.37 0.00 -1.26 -5.10 105.19 106.26 1r4y n GLY 58 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.37 4.01 0.00 1.61 1.02 -1.26 -4.97 119.74 119.78 1r4y s LYS 59 Ca 0.00 0.16 0.14 0.00 0.02 0.00 0.00 55.97 56.29 1r4y s LYS 59 Cb 0.00 -3.32 0.68 0.00 -0.52 0.00 0.00 37.83 34.67 1r4y s LYS 59 CO 0.00 0.47 1.38 0.45 -0.92 0.00 0.00 175.35 176.73 1r4y n SER 60 N 2.77 0.00 -0.08 2.83 2.88 -1.26 -1.06 113.62 119.69 1r4y n SER 60 Ca -0.14 0.15 -0.10 0.00 -1.33 0.00 0.00 58.87 57.45 1r4y n SER 60 Cb 0.53 -0.32 -0.05 0.00 -0.75 0.00 0.00 64.21 63.62 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 0.99 -3.46 5.19 -1.93 -2.63 116.42 114.58 1r4y h ASP 61 Ca 0.00 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1r4y h ASP 61 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1r4y h ASP 61 CO 0.00 0.97 0.00 0.00 -3.12 0.00 0.00 179.24 177.09 1r4y h ASP 63 N 0.00 0.76 -3.36 0.00 3.58 -1.25 -3.47 116.42 112.68 1r4y h ASP 63 Ca 0.00 -0.93 -0.54 0.00 0.42 0.00 0.00 57.03 55.99 1r4y h ASP 63 Cb 0.50 -0.25 0.21 0.00 1.72 0.00 0.00 39.33 41.51 1r4y h ASP 63 CO 0.00 1.65 -0.56 -2.11 -2.88 0.00 0.00 179.24 175.34 1r4y n ARG 64 N -3.80 -0.18 -2.30 0.28 1.85 -0.99 -4.93 116.66 106.58 1r4y n ARG 64 Ca -0.17 -0.01 -0.41 0.00 -1.00 0.00 0.00 57.85 56.26 1r4y n ARG 64 Cb 1.05 -1.84 -0.03 0.00 -1.05 0.00 0.00 32.46 30.58 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 -3.47 4.46 0.99 2.89 0.04 -1.26 -4.97 135.00 133.68 1r4y s PRO 65 Ca 0.58 1.98 -0.13 0.00 0.04 0.00 0.00 61.00 63.46 1r4y s PRO 65 Cb -0.23 -3.19 0.18 0.00 0.04 0.00 0.00 34.50 31.30 1r4y s PRO 65 CO 0.66 -0.12 1.13 -1.25 0.04 0.00 0.00 177.00 177.46 1r4y s PRO 66 N -0.58 0.50 -0.39 0.56 0.04 -1.23 -4.91 135.00 128.99 1r4y s PRO 66 Ca 0.52 0.29 0.10 0.00 0.04 0.00 0.00 61.00 61.96 1r4y s PRO 66 Cb -0.35 -1.77 0.44 0.00 0.04 0.00 0.00 34.50 32.86 1r4y s PRO 66 CO 0.40 -2.63 1.04 1.17 0.04 0.00 0.00 177.00 177.02 1r4y n LYS 67 N -4.07 2.47 -1.70 4.56 3.00 -1.26 -4.41 118.16 116.75 1r4y n LYS 67 Ca 0.07 -3.98 -0.31 0.00 -0.00 0.00 0.00 58.31 54.09 1r4y n LYS 67 Cb 0.59 -1.83 0.04 0.00 0.00 0.00 0.00 35.03 33.83 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 -3.37 3.26 0.34 5.64 5.65 -1.12 -4.40 115.29 121.29 1r4y s HIS 68 Ca 0.39 1.30 -0.17 0.00 0.25 0.00 0.00 55.06 56.82 1r4y s HIS 68 Cb 0.42 -2.89 0.06 0.00 -1.18 0.00 0.00 32.58 28.99 1r4y s HIS 68 CO -0.09 -1.14 0.83 0.45 -0.65 0.00 0.00 174.74 174.14 1r4y s SER 69 N -4.00 -0.02 -0.68 9.88 0.15 -1.26 -4.17 113.70 113.60 1r4y s SER 69 Ca 0.58 -1.01 -0.26 0.00 0.70 0.00 0.00 55.95 55.96 1r4y s SER 69 Cb -0.13 0.78 -0.23 0.00 -1.71 0.00 0.00 66.02 64.72 1r4y s SER 69 CO 0.54 -1.53 1.86 2.29 1.20 0.00 0.00 173.24 177.61 1r4y n LYS 70 N -0.55 0.73 0.00 5.44 2.85 -1.26 -2.29 118.16 123.08 1r4y n LYS 70 Ca -0.07 -1.67 0.00 0.00 -1.05 0.00 0.00 58.31 55.52 1r4y n LYS 70 Cb 0.60 -3.18 0.00 0.00 -0.65 0.00 0.00 35.03 31.80 1r4y n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1r4y n ASP 71 N 12.15 0.00 0.00 -5.58 8.00 -1.26 -5.06 116.55 124.80 1r4y n ASP 71 Ca 0.46 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.96 1r4y n ASP 71 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 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 0.00 2.14 2.48 0.44 0.00 -0.97 -4.78 105.19 104.51 1r4y n GLY 72 Ca 0.00 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 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 1.34 2.58 0.00 1.61 6.94 -1.26 -4.52 115.26 121.95 1r4y n ASN 73 Ca 0.00 -3.27 0.00 0.00 -0.02 0.00 0.00 54.58 51.29 1r4y n ASN 73 Cb 0.00 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 36.80 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 0.46 -2.37 0.00 4.83 0.00 -1.26 -4.86 105.19 101.99 1r4y n GLY 74 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.23 1.61 5.02 -1.26 -4.71 118.16 118.59 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 -0.07 0.17 0.00 -0.02 0.00 0.00 35.03 35.11 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 1.68 -0.69 -0.18 5.66 -1.26 -5.04 114.28 114.45 1r4y n THR 76 Ca 0.00 -1.61 -0.29 0.00 -3.05 0.00 0.00 64.05 59.10 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 0.47 -3.05 0.00 0.00 175.07 172.49 1r4y n ASP 77 N -0.45 0.33 -0.74 1.09 9.92 -1.26 -4.71 116.55 120.73 1r4y n ASP 77 Ca 0.14 0.29 0.04 0.00 -0.53 0.00 0.00 54.79 54.73 1r4y n ASP 77 Cb 0.62 -0.48 0.14 0.00 -0.64 0.00 0.00 41.12 40.76 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 4.33 0.56 -1.39 1.24 1.44 -1.26 -4.68 115.22 115.46 1r4y n HIS 78 Ca 0.30 -0.22 -0.50 0.00 -2.01 0.00 0.00 57.72 55.29 1r4y n HIS 78 Cb -0.01 -0.12 -0.04 0.00 0.12 0.00 0.00 29.99 29.94 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 0.28 -0.19 -1.59 -1.40 4.11 -1.26 -2.53 117.16 114.57 1r4y n TYR 79 Ca 0.10 0.97 -0.32 0.00 -0.00 0.00 0.00 57.90 58.65 1r4y n TYR 79 Cb 0.40 -1.95 0.06 0.00 -0.00 0.00 0.00 39.34 37.85 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 3.22 -0.04 -3.48 1.43 -1.26 -3.07 118.68 117.63 1r4y s LEU 80 Ca 0.69 1.81 -0.02 0.00 -1.03 0.00 0.00 54.13 55.59 1r4y s LEU 80 Cb -1.00 -4.52 0.03 0.00 0.03 0.00 0.00 46.19 40.73 1r4y s LEU 80 CO 0.55 -1.64 0.05 -0.76 0.23 0.00 0.00 176.35 174.78 1r4y s LEU 81 N -5.32 0.24 0.25 1.79 1.02 -0.31 0.10 118.68 116.44 1r4y s LEU 81 Ca 0.62 0.07 -0.06 0.00 0.02 0.00 0.00 54.13 54.77 1r4y s LEU 81 Cb -0.17 -0.16 -0.06 0.00 0.02 0.00 0.00 46.19 45.83 1r4y s LEU 81 CO 0.49 -0.24 0.53 -1.83 0.02 0.00 0.00 176.35 175.32 1r4y s GLU 82 N 2.07 3.68 -0.08 1.70 1.03 -0.06 -3.42 118.70 123.62 1r4y s GLU 82 Ca 0.04 0.07 -0.05 0.00 0.03 0.00 0.00 54.97 55.05 1r4y s GLU 82 Cb -0.12 -2.68 0.03 0.00 -0.80 0.00 0.00 34.13 30.57 1r4y s GLU 82 CO -0.03 0.28 0.20 0.12 -1.33 0.00 0.00 175.26 174.50 1r4y s PHE 83 N -1.95 -0.24 -0.34 4.83 5.36 -0.83 -2.50 117.98 122.32 1r4y s PHE 83 Ca 0.44 0.59 -0.29 0.00 -0.96 0.00 0.00 56.93 56.72 1r4y s PHE 83 Cb -0.11 0.02 0.00 0.00 -0.34 0.00 0.00 43.02 42.59 1r4y s PHE 83 CO 0.27 -0.16 1.39 -1.25 -1.46 0.00 0.00 175.22 174.01 1r4y s PRO 84 N 0.77 3.75 -0.37 10.12 0.04 -1.26 -0.53 135.00 147.52 1r4y s PRO 84 Ca -0.06 1.17 -0.11 0.00 0.04 0.00 0.00 61.00 62.05 1r4y s PRO 84 Cb -0.07 -3.96 0.03 0.00 0.04 0.00 0.00 34.50 30.53 1r4y s PRO 84 CO -0.04 -1.33 0.20 -0.08 0.04 0.00 0.00 177.00 175.78 1r4y s THR 85 N 4.95 4.53 0.54 1.26 -1.32 -1.16 -4.89 115.64 119.54 1r4y s THR 85 Ca 0.60 -0.86 -0.11 0.00 -1.21 0.00 0.00 61.69 60.12 1r4y s THR 85 Cb -0.16 -3.52 -0.05 0.00 -1.51 0.00 0.00 72.50 67.25 1r4y s THR 85 CO 0.28 -0.22 0.94 -0.36 -2.21 0.00 0.00 174.62 173.05 1r4y s PHE 86 N 1.55 3.55 0.03 9.09 0.40 -1.26 -4.81 117.98 126.53 1r4y s PHE 86 Ca 0.02 1.22 -0.17 0.00 -0.60 0.00 0.00 56.93 57.40 1r4y s PHE 86 Cb -0.19 -2.63 -0.25 0.00 0.51 0.00 0.00 43.02 40.45 1r4y s PHE 86 CO 0.06 -0.46 1.11 -1.00 0.70 0.00 0.00 175.22 175.63 1r4y h PRO 87 N 0.29 0.53 -1.48 0.24 0.13 -1.96 -3.19 132.00 126.55 1r4y h PRO 87 Ca -0.46 -0.62 0.43 0.00 -0.87 0.00 0.00 66.00 64.49 1r4y h PRO 87 Cb 1.19 0.19 -0.07 0.00 0.13 0.00 0.00 31.00 32.44 1r4y h PRO 87 CO 0.62 1.24 1.05 -0.44 -0.23 0.00 0.00 178.00 180.24 1r4y h ASP 88 N 0.09 0.05 0.00 1.44 5.19 -1.95 -3.45 116.42 117.79 1r4y h ASP 88 Ca -0.12 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1r4y h ASP 88 Cb 1.57 0.01 0.00 0.00 0.18 0.00 0.00 39.33 41.09 1r4y h ASP 88 CO 0.17 -0.01 0.00 0.61 -3.12 0.00 0.00 179.24 176.89 1r4y n GLY 89 N -1.79 0.66 3.70 2.75 0.00 -1.21 -5.02 105.19 104.29 1r4y n GLY 89 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.18 3.31 -0.71 1.61 -3.43 -1.26 -4.93 115.29 107.69 1r4y s HIS 90 Ca 0.00 1.21 -0.26 0.00 -0.80 0.00 0.00 55.06 55.21 1r4y s HIS 90 Cb 0.00 -3.46 -0.11 0.00 -1.43 0.00 0.00 32.58 27.58 1r4y s HIS 90 CO 0.00 -1.47 2.35 0.16 -2.00 0.00 0.00 174.74 173.78 1r4y s ASP 91 N 1.25 4.19 0.33 7.38 1.47 -1.26 -4.77 116.67 125.26 1r4y s ASP 91 Ca 0.59 0.28 -0.23 0.00 1.18 0.00 0.00 52.55 54.37 1r4y s ASP 91 Cb -0.29 -2.54 -0.16 0.00 -0.34 0.00 0.00 42.92 39.60 1r4y s ASP 91 CO 0.27 -3.46 0.22 0.00 0.68 0.00 0.00 175.17 172.88 1r4y n TYR 92 N 17.33 -1.56 -1.07 2.11 9.36 -1.26 -4.74 117.16 137.33 1r4y n TYR 92 Ca 0.42 0.73 -0.28 0.00 3.32 0.00 0.00 57.90 62.09 1r4y n TYR 92 Cb 0.47 -1.81 -0.06 0.00 -0.63 0.00 0.00 39.34 37.31 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 1.21 2.82 0.00 2.98 2.85 -1.26 -4.45 118.16 122.31 1r4y n LYS 93 Ca 0.13 -1.68 0.08 0.00 -1.05 0.00 0.00 58.31 55.79 1r4y n LYS 93 Cb 0.35 -2.49 0.35 0.00 -0.65 0.00 0.00 35.03 32.58 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 3.44 0.00 0.00 5.58 1.16 -1.26 -3.02 117.46 123.36 1r4y n PHE 94 Ca 0.60 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 56.01 1r4y n PHE 94 Cb 0.36 -0.50 -0.14 0.00 -1.61 0.00 0.00 39.48 37.60 1r4y n PHE 94 CO 0.00 0.00 0.00 0.22 -1.87 0.00 0.00 176.76 175.11 1r4y h ASP 95 N 0.00 0.28 -3.62 5.98 3.58 -1.90 -1.05 116.42 119.70 1r4y h ASP 95 Ca 0.00 -0.61 -0.60 0.00 0.42 0.00 0.00 57.03 56.24 1r4y h ASP 95 Cb 0.28 -0.09 -0.10 0.00 1.72 0.00 0.00 39.33 41.14 1r4y h ASP 95 CO 0.00 1.55 0.61 -0.44 -2.88 0.00 0.00 179.24 178.08 1r4y s SER 96 N -6.73 6.56 0.13 2.28 0.01 -1.17 -3.00 113.70 111.79 1r4y s SER 96 Ca -0.15 0.27 -0.18 0.00 1.31 0.00 0.00 55.95 57.20 1r4y s SER 96 Cb 0.07 -2.46 -0.02 0.00 0.21 0.00 0.00 66.02 63.82 1r4y s SER 96 CO 0.80 -1.01 1.77 0.07 0.41 0.00 0.00 173.24 175.27 1r4y h LYS 97 N 8.92 0.26 -3.29 12.44 2.10 -1.84 -3.33 116.57 131.83 1r4y h LYS 97 Ca -0.24 -0.02 -0.25 0.00 -2.00 0.00 0.00 60.65 58.15 1r4y h LYS 97 Cb 1.08 -0.06 -0.32 0.00 -0.90 0.00 0.00 32.23 32.03 1r4y h LYS 97 CO 1.02 0.17 -0.61 -1.59 -2.00 0.00 0.00 179.45 176.44 1r4y s LYS 98 N -6.17 0.08 1.14 0.07 0.00 -1.26 -4.00 119.74 109.60 1r4y s LYS 98 Ca -0.13 0.35 -0.17 0.00 0.00 0.00 0.00 55.97 56.01 1r4y s LYS 98 Cb 0.10 -0.18 0.26 0.00 0.00 0.00 0.00 37.83 38.01 1r4y s LYS 98 CO 0.70 -0.16 1.11 -1.25 0.00 0.00 0.00 175.35 175.75 1r4y s PRO 99 N 1.11 -0.71 0.02 1.78 0.04 -1.26 -5.17 135.00 130.81 1r4y s PRO 99 Ca -0.09 0.09 0.01 0.00 0.04 0.00 0.00 61.00 61.05 1r4y s PRO 99 Cb -0.11 -1.64 -0.02 0.00 0.04 0.00 0.00 34.50 32.77 1r4y s PRO 99 CO -0.05 -3.40 -0.04 -1.59 0.04 0.00 0.00 177.00 171.95 1r4y s LYS 100 N -5.29 0.33 0.72 4.56 0.00 -1.26 -4.75 119.74 114.05 1r4y s LYS 100 Ca 0.69 -0.49 -0.05 0.00 0.00 0.00 0.00 55.97 56.12 1r4y s LYS 100 Cb -0.12 -0.08 0.10 0.00 0.00 0.00 0.00 37.83 37.72 1r4y s LYS 100 CO 0.56 0.01 1.01 -2.00 0.00 0.00 0.00 175.35 174.93 1r4y s GLU 101 N -1.07 1.88 0.36 1.78 2.56 -1.26 -5.06 118.70 117.89 1r4y s GLU 101 Ca -0.09 -0.62 -0.26 0.00 0.00 0.00 0.00 54.97 53.99 1r4y s GLU 101 Cb -0.07 -2.23 -0.09 0.00 2.00 0.00 0.00 34.13 33.74 1r4y s GLU 101 CO -0.00 -1.37 1.13 -0.80 -0.56 0.00 0.00 175.26 173.65 1r4y s ASN 102 N -4.62 6.82 0.48 -1.70 -0.87 -1.26 -5.03 114.94 108.76 1r4y s ASN 102 Ca 0.63 2.27 0.00 0.00 -1.57 0.00 0.00 52.86 54.20 1r4y s ASN 102 Cb -0.08 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.54 1r4y s ASN 102 CO 0.45 -0.46 0.00 -0.81 -2.57 0.00 0.00 177.10 173.70 1r4y n PRO 103 N 0.42 0.19 -4.11 -0.60 -0.04 -1.26 -5.08 135.00 124.52 1r4y n PRO 103 Ca 0.03 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.39 1r4y n PRO 103 Cb 0.46 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.83 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 -1.80 0.84 -0.06 0.55 0.00 -1.26 -5.08 107.32 100.52 1r4y s GLY 104 Ca 0.00 -1.35 -0.09 0.00 0.00 0.00 0.00 44.72 43.28 1r4y s GLY 104 CO 0.00 -1.29 0.36 -0.56 0.00 0.00 0.00 173.10 171.61 1r4y h PRO 105 N 2.87 -0.30 -6.91 2.90 0.13 -1.94 -3.45 132.00 125.29 1r4y h PRO 105 Ca -0.35 0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.27 1r4y h PRO 105 Cb 1.19 0.07 0.09 0.00 0.13 0.00 0.00 31.00 32.48 1r4y h PRO 105 CO 0.59 -0.20 0.72 0.00 -0.23 0.00 0.00 178.00 178.88 1r4y s ALA 106 N -3.34 3.55 -0.02 -0.56 0.00 -1.26 -4.46 121.76 115.67 1r4y s ALA 106 Ca -0.05 1.44 -0.04 0.00 0.00 0.00 0.00 51.96 53.31 1r4y s ALA 106 Cb 0.00 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1r4y s ALA 106 CO 0.14 -0.87 0.10 1.03 0.00 0.00 0.00 175.76 176.15 1r4y s ARG 107 N -1.91 0.23 -0.15 0.00 0.52 -0.06 -3.01 118.95 114.58 1r4y s ARG 107 Ca 0.51 -0.06 -0.26 0.00 -0.52 0.00 0.00 55.73 55.40 1r4y s ARG 107 Cb -0.44 0.10 -0.01 0.00 0.52 0.00 0.00 34.95 35.12 1r4y s ARG 107 CO 0.58 -0.04 0.88 0.54 0.02 0.00 0.00 175.30 177.28 1r4y s VAL 108 N -0.45 4.85 -0.07 3.52 0.11 0.31 -1.57 120.40 127.09 1r4y s VAL 108 Ca -0.05 1.75 -0.02 0.00 -2.93 0.00 0.00 61.98 60.73 1r4y s VAL 108 Cb -0.03 -4.19 -0.03 0.00 -1.53 0.00 0.00 36.38 30.59 1r4y s VAL 108 CO 0.00 0.02 0.02 -0.63 -3.33 0.00 0.00 175.10 171.18 1r4y s ILE 109 N 2.12 4.43 -0.07 7.04 -1.09 -0.89 -1.97 121.20 130.77 1r4y s ILE 109 Ca 0.41 -0.26 -0.30 0.00 -2.23 0.00 0.00 60.65 58.28 1r4y s ILE 109 Cb -0.17 -2.89 0.10 0.00 -1.58 0.00 0.00 42.46 37.92 1r4y s ILE 109 CO 0.14 0.56 0.86 -0.72 -1.23 0.00 0.00 174.94 174.55 1r4y s TYR 110 N -0.94 -0.45 0.56 3.97 -0.85 -1.22 -0.36 117.35 118.05 1r4y s TYR 110 Ca 0.15 0.64 -0.04 0.00 -0.52 0.00 0.00 57.07 57.30 1r4y s TYR 110 Cb -0.11 0.47 0.01 0.00 0.38 0.00 0.00 41.96 42.71 1r4y s TYR 110 CO 0.04 -0.50 0.83 0.95 -1.52 0.00 0.00 175.55 175.36 1r4y s THR 111 N -1.80 3.56 0.17 -3.49 -4.23 -1.24 -1.16 115.64 107.45 1r4y s THR 111 Ca -0.02 -0.22 0.07 0.00 -1.18 0.00 0.00 61.69 60.34 1r4y s THR 111 Cb -0.00 -3.39 -0.04 0.00 1.34 0.00 0.00 72.50 70.41 1r4y s THR 111 CO 0.00 -0.35 -0.02 -0.47 -0.54 0.00 0.00 174.62 173.24 1r4y s TYR 112 N -2.87 2.82 -0.06 3.99 6.14 -1.05 -3.39 117.35 122.92 1r4y s TYR 112 Ca 0.53 -0.14 -0.23 0.00 0.64 0.00 0.00 57.07 57.87 1r4y s TYR 112 Cb -0.10 -1.38 -0.18 0.00 0.42 0.00 0.00 41.96 40.72 1r4y s TYR 112 CO 0.42 0.51 0.90 -1.00 0.64 0.00 0.00 175.55 177.02 1r4y h PRO 113 N 2.82 -0.12 -6.00 4.97 0.13 -1.84 -3.37 132.00 128.59 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 1.20 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1r4y h PRO 113 CO 0.57 0.42 1.30 -1.71 -0.23 0.00 0.00 178.00 178.35 1r4y n ASN 114 N -4.84 1.21 -3.82 1.44 5.15 -1.26 -4.72 115.26 108.41 1r4y n ASN 114 Ca -0.08 0.65 -0.39 0.00 -0.60 0.00 0.00 54.58 54.16 1r4y n ASN 114 Cb 0.29 -1.00 -0.08 0.00 -0.53 0.00 0.00 39.78 38.46 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 7.42 1.04 -1.95 1.20 5.02 -1.22 -4.24 118.16 125.42 1r4y n LYS 115 Ca 0.49 -1.73 -0.35 0.00 -2.02 0.00 0.00 58.31 54.70 1r4y n LYS 115 Cb 0.04 -3.03 -0.05 0.00 -0.02 0.00 0.00 35.03 31.98 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 6.79 2.35 -1.29 -0.18 0.31 -1.23 -4.82 118.33 120.26 1r4y n VAL 116 Ca 0.48 -2.36 -0.53 0.00 -0.01 0.00 0.00 64.34 61.92 1r4y n VAL 116 Cb 0.42 -2.26 -0.13 0.00 -0.91 0.00 0.00 33.84 30.97 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 11.43 0.96 0.00 3.52 7.35 -1.26 -3.66 117.46 135.80 1r4y n PHE 117 Ca 0.47 0.64 -0.19 0.00 -0.76 0.00 0.00 57.45 57.61 1r4y n PHE 117 Cb 0.45 -2.27 -0.14 0.00 0.35 0.00 0.00 39.48 37.87 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 1.65 -0.50 3.11 0.00 0.00 -1.23 -4.94 105.19 103.29 1r4y n GLY 119 Ca -0.16 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 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 -4.00 1.16 0.12 -0.61 -1.09 -1.26 -2.09 121.20 113.43 1r4y s ILE 120 Ca 0.00 -0.61 0.06 0.00 -2.23 0.00 0.00 60.65 57.86 1r4y s ILE 120 Cb 0.00 -0.98 -0.04 0.00 -1.58 0.00 0.00 42.46 39.86 1r4y s ILE 120 CO 0.00 0.33 -0.13 0.27 -1.23 0.00 0.00 174.94 174.18 1r4y s ILE 121 N -0.24 1.27 -0.27 2.92 -4.36 -0.61 0.41 121.20 120.32 1r4y s ILE 121 Ca 0.04 -1.72 -0.38 0.00 -0.26 0.00 0.00 60.65 58.33 1r4y s ILE 121 Cb -0.07 -1.52 0.16 0.00 1.25 0.00 0.00 42.46 42.28 1r4y s ILE 121 CO -0.00 -0.45 1.36 0.00 0.24 0.00 0.00 174.94 176.09 1r4y s ALA 122 N -2.23 -2.18 -0.83 2.27 0.00 -0.83 -0.88 121.76 117.09 1r4y s ALA 122 Ca 0.09 1.87 -0.19 0.00 0.00 0.00 0.00 51.96 53.73 1r4y s ALA 122 Cb -0.04 -0.39 0.13 0.00 0.00 0.00 0.00 23.12 22.81 1r4y s ALA 122 CO 0.03 -0.54 1.00 -1.01 0.00 0.00 0.00 175.76 175.23 1r4y s HIS 123 N -2.06 3.10 -0.59 0.00 0.09 -1.25 -2.96 115.29 111.61 1r4y s HIS 123 Ca 0.11 -1.26 -0.02 0.00 -0.00 0.00 0.00 55.06 53.89 1r4y s HIS 123 Cb -0.01 -4.19 0.40 0.00 -0.00 0.00 0.00 32.58 28.77 1r4y s HIS 123 CO -0.03 -1.43 2.03 -2.37 -0.00 0.00 0.00 174.74 172.95 1r4y n THR 124 N 5.40 3.45 -0.06 1.30 5.66 -1.26 -4.23 114.28 124.55 1r4y n THR 124 Ca 0.14 -2.65 -0.03 0.00 -3.05 0.00 0.00 64.05 58.46 1r4y n THR 124 Cb 0.47 -1.20 -0.13 0.00 -1.55 0.00 0.00 70.33 67.92 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 -0.64 1.08 0.08 1.09 4.81 -1.26 -5.00 118.16 118.30 1r4y n LYS 125 Ca 0.56 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1r4y n LYS 125 Cb 0.64 -1.42 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 -2.46 0.00 0.00 1.64 0.00 -1.26 -5.03 120.64 113.53 1r4y n GLU 126 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.96 1r4y n GLU 126 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.30 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 -2.76 0.00 -2.82 4.31 5.15 -1.26 -5.04 115.26 112.84 1r4y n ASN 127 Ca 0.00 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.90 1r4y n ASN 127 Cb 0.00 0.23 0.01 0.00 -0.53 0.00 0.00 39.78 39.50 1r4y n ASN 127 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1r4y n GLN 128 N -2.18 0.62 0.00 1.20 6.02 -1.26 -4.77 117.38 117.01 1r4y n GLN 128 Ca 0.00 -2.06 0.00 0.00 -0.01 0.00 0.00 57.00 54.93 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 2.35 1.19 3.88 1.08 0.00 -1.26 -5.11 105.19 107.32 1r4y n GLY 129 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 1.59 3.70 -0.06 1.61 2.02 -1.26 -4.97 118.70 121.33 1r4y s GLU 130 Ca 0.00 0.44 -0.01 0.00 0.02 0.00 0.00 54.97 55.42 1r4y s GLU 130 Cb 0.00 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 1r4y s GLU 130 CO 0.00 -0.15 0.03 -1.17 0.02 0.00 0.00 175.26 173.99 1r4y s LEU 131 N -4.25 3.71 0.27 1.80 0.20 -1.26 -3.93 118.68 115.22 1r4y s LEU 131 Ca 0.51 0.15 -0.08 0.00 0.69 0.00 0.00 54.13 55.39 1r4y s LEU 131 Cb -0.10 -1.97 -0.01 0.00 -0.43 0.00 0.00 46.19 43.68 1r4y s LEU 131 CO 0.37 0.34 0.43 -1.59 -0.29 0.00 0.00 176.35 175.62 1r4y s LYS 132 N -1.20 1.61 0.05 1.98 -2.85 -1.16 -4.95 119.74 113.23 1r4y s LYS 132 Ca 0.17 -1.45 -0.23 0.00 -1.00 0.00 0.00 55.97 53.45 1r4y s LYS 132 Cb -0.12 0.44 -0.06 0.00 -2.06 0.00 0.00 37.83 36.03 1r4y s LYS 132 CO 0.06 -0.66 0.68 -1.17 0.10 0.00 0.00 175.35 174.37 1r4y s LEU 133 N -3.10 4.47 0.00 2.77 2.96 -1.26 -1.96 118.68 122.55 1r4y s LEU 133 Ca 0.27 1.35 -0.22 0.00 -0.22 0.00 0.00 54.13 55.31 1r4y s LEU 133 Cb 0.00 -3.08 0.33 0.00 0.50 0.00 0.00 46.19 43.94 1r4y s LEU 133 CO 0.13 0.11 0.98 0.00 -1.32 0.00 0.00 176.35 176.25 1r4y s SER 135 N -3.88 -1.43 0.00 0.00 0.01 -0.96 -4.85 113.70 102.58 1r4y s SER 135 Ca 0.68 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1r4y s SER 135 Cb -0.09 1.92 0.00 0.00 0.21 0.00 0.00 66.02 68.06 1r4y s SER 135 CO 0.54 -0.20 0.00 0.00 0.41 0.00 0.00 173.24 173.99