#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 5.31 -0.17 0.00 0.11 -1.26 -5.00 120.40 119.38 1r4y s VAL 2 Ca 0.00 0.14 -0.24 0.00 -2.93 0.00 0.00 61.98 58.95 1r4y s VAL 2 Cb 0.00 -3.34 -0.02 0.00 -1.53 0.00 0.00 36.38 31.49 1r4y s VAL 2 CO 0.00 0.55 0.78 -0.89 -3.33 0.00 0.00 175.10 172.21 1r4y s THR 3 N -0.49 4.92 0.18 5.04 2.01 -1.26 -3.12 115.64 122.91 1r4y s THR 3 Ca 0.12 1.52 -0.21 0.00 0.31 0.00 0.00 61.69 63.43 1r4y s THR 3 Cb -0.12 -4.09 -0.08 0.00 0.01 0.00 0.00 72.50 68.23 1r4y s THR 3 CO 0.02 0.05 0.70 0.26 -0.69 0.00 0.00 174.62 174.96 1r4y s TRP 4 N 2.06 3.74 -0.10 4.92 0.52 -0.28 -4.24 118.94 125.56 1r4y s TRP 4 Ca 0.36 1.41 0.01 0.00 0.02 0.00 0.00 56.10 57.91 1r4y s TRP 4 Cb -0.16 -2.62 0.02 0.00 -1.15 0.00 0.00 33.47 29.55 1r4y s TRP 4 CO 0.12 0.43 -0.13 0.99 0.02 0.00 0.00 176.95 178.38 1r4y s THR 5 N -1.35 1.29 -0.49 2.01 2.01 -1.00 0.07 115.64 118.18 1r4y s THR 5 Ca 0.38 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 61.92 1r4y s THR 5 Cb -0.19 -1.20 0.39 0.00 0.01 0.00 0.00 72.50 71.51 1r4y s THR 5 CO 0.22 0.40 1.04 0.00 -0.69 0.00 0.00 174.62 175.59 1r4y n GLY 7 N -0.38 1.25 0.00 0.00 0.00 -1.26 -4.73 105.19 100.06 1r4y n GLY 7 Ca 0.35 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.61 3.44 -0.02 0.00 -1.26 -5.07 105.19 101.67 1r4y n GLY 8 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.34 2.58 -0.29 0.99 1.02 -1.26 -5.11 118.68 116.27 1r4y s LEU 9 Ca 0.00 -0.27 -0.09 0.00 0.02 0.00 0.00 54.13 53.80 1r4y s LEU 9 Cb 0.00 -1.51 -0.01 0.00 0.02 0.00 0.00 46.19 44.69 1r4y s LEU 9 CO 0.00 0.34 0.12 -0.76 0.02 0.00 0.00 176.35 176.07 1r4y s LEU 10 N -0.74 3.93 -0.49 1.79 2.01 -1.26 -3.38 118.68 120.53 1r4y s LEU 10 Ca 0.11 -0.48 -0.07 0.00 0.01 0.00 0.00 54.13 53.70 1r4y s LEU 10 Cb -0.10 -1.97 0.13 0.00 0.01 0.00 0.00 46.19 44.25 1r4y s LEU 10 CO 0.00 -0.16 0.34 -0.31 1.01 0.00 0.00 176.35 177.24 1r4y s TYR 11 N 1.60 3.48 -0.13 0.29 2.02 0.11 -4.57 117.35 120.15 1r4y s TYR 11 Ca 0.05 -2.10 -0.34 0.00 -0.37 0.00 0.00 57.07 54.31 1r4y s TYR 11 Cb -0.17 -3.42 -0.11 0.00 -0.40 0.00 0.00 41.96 37.86 1r4y s TYR 11 CO 0.05 -0.97 1.96 -1.71 -1.57 0.00 0.00 175.55 173.30 1r4y n ASN 12 N 4.64 3.29 -0.26 2.29 4.05 -1.26 -1.13 115.26 126.88 1r4y n ASN 12 Ca -0.04 0.83 0.06 0.00 0.45 0.00 0.00 54.58 55.88 1r4y n ASN 12 Cb 0.41 -1.38 0.19 0.00 1.23 0.00 0.00 39.78 40.23 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 10.21 0.41 -0.88 1.20 5.75 -1.91 0.17 115.11 130.06 1r4y h GLN 13 Ca -0.45 -0.02 0.21 0.00 -0.15 0.00 0.00 58.65 58.23 1r4y h GLN 13 Cb 1.27 -0.09 -0.12 0.00 1.07 0.00 0.00 27.48 29.61 1r4y h GLN 13 CO 0.96 0.27 0.38 -0.97 -2.65 0.00 0.00 178.83 176.82 1r4y h ASN 14 N 0.42 0.32 -0.37 -0.69 -0.73 -1.88 0.33 115.58 112.98 1r4y h ASN 14 Ca 0.42 0.15 -0.14 0.00 1.87 0.00 0.00 56.30 58.60 1r4y h ASN 14 Cb 0.66 0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.37 1r4y h ASN 14 CO -0.42 0.01 -0.33 0.11 -0.37 0.00 0.00 177.43 176.43 1r4y h LYS 15 N 0.41 0.88 -0.98 6.67 1.57 -1.13 0.64 116.57 124.63 1r4y h LYS 15 Ca 0.54 -0.45 0.16 0.00 -1.87 0.00 0.00 60.65 59.03 1r4y h LYS 15 Cb 1.00 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 33.22 1r4y h LYS 15 CO -0.51 1.10 0.59 0.00 -0.57 0.00 0.00 179.45 180.06 1r4y h ALA 16 N 0.77 1.56 0.11 3.86 0.00 0.14 0.64 119.26 126.35 1r4y h ALA 16 Ca 0.06 0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.77 1r4y h ALA 16 Cb 0.92 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1r4y h ALA 16 CO 0.08 0.04 -1.37 1.05 0.00 0.00 0.00 179.25 179.05 1r4y h GLU 17 N 0.82 0.24 0.31 0.00 4.11 -0.97 -3.30 114.58 115.80 1r4y h GLU 17 Ca 0.54 -0.42 -0.02 0.00 0.07 0.00 0.00 59.36 59.53 1r4y h GLU 17 Cb 0.73 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1r4y h GLU 17 CO -0.34 1.20 -0.15 1.03 0.07 0.00 0.00 179.01 180.82 1r4y h SER 18 N -0.32 -0.36 -1.16 3.06 0.87 0.63 0.84 113.55 117.12 1r4y h SER 18 Ca -0.29 0.01 0.44 0.00 -1.23 0.00 0.00 61.79 60.72 1r4y h SER 18 Cb 1.75 0.09 -0.16 0.00 -0.44 0.00 0.00 62.40 63.64 1r4y h SER 18 CO 0.06 -0.05 0.69 -3.20 -0.53 0.00 0.00 176.83 173.80 1r4y n ASN 19 N -4.26 0.28 0.08 6.23 5.15 0.22 -0.04 115.26 122.92 1r4y n ASN 19 Ca -0.05 1.50 -0.01 0.00 -0.60 0.00 0.00 54.58 55.42 1r4y n ASN 19 Cb 0.17 -0.74 -0.05 0.00 -0.53 0.00 0.00 39.78 38.63 1r4y n ASN 19 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1r4y h SER 20 N 0.00 0.00 -0.70 1.20 4.64 -1.53 -3.34 113.55 113.82 1r4y h SER 20 Ca 0.85 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 62.32 1r4y h SER 20 Cb 2.48 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.53 1r4y h SER 20 CO -0.62 0.67 0.48 0.45 -0.87 0.00 0.00 176.83 176.94 1r4y h HIS 21 N 0.00 0.34 -0.02 4.77 3.86 0.44 -0.08 115.15 124.46 1r4y h HIS 21 Ca -0.07 0.01 -0.22 0.00 -1.16 0.00 0.00 60.37 58.93 1r4y h HIS 21 Cb 1.57 -0.11 0.02 0.00 1.06 0.00 0.00 27.41 29.95 1r4y h HIS 21 CO 0.00 0.13 -0.86 0.45 0.86 0.00 0.00 177.93 178.51 1r4y h HIS 22 N 0.29 0.91 -0.95 2.45 3.86 -1.65 -3.46 115.15 116.60 1r4y h HIS 22 Ca 0.34 -0.48 -0.79 0.00 -1.16 0.00 0.00 60.37 58.28 1r4y h HIS 22 Cb 0.93 -0.11 0.03 0.00 1.06 0.00 0.00 27.41 29.32 1r4y h HIS 22 CO -0.00 1.31 0.33 0.00 0.86 0.00 0.00 177.93 180.43 1r4y n ALA 23 N -2.62 -2.51 -2.23 2.45 0.00 -0.04 -4.85 120.51 110.71 1r4y n ALA 23 Ca -0.10 0.53 -0.42 0.00 0.00 0.00 0.00 53.44 53.44 1r4y n ALA 23 Cb 0.79 -1.74 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 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 1.29 4.26 -0.58 0.00 0.04 -1.26 -4.90 135.00 133.85 1r4y s PRO 24 Ca 0.93 1.94 -0.26 0.00 0.04 0.00 0.00 61.00 63.65 1r4y s PRO 24 Cb -1.31 -3.69 -0.09 0.00 0.04 0.00 0.00 34.50 29.46 1r4y s PRO 24 CO 0.65 -0.65 2.40 -1.17 0.04 0.00 0.00 177.00 178.27 1r4y s LEU 25 N 2.92 3.25 -0.25 -3.56 2.96 -1.26 -4.70 118.68 118.04 1r4y s LEU 25 Ca 0.64 0.77 -0.29 0.00 -0.22 0.00 0.00 54.13 55.02 1r4y s LEU 25 Cb -0.30 -2.52 0.17 0.00 0.50 0.00 0.00 46.19 44.05 1r4y s LEU 25 CO 0.25 -3.16 1.24 -0.44 -1.32 0.00 0.00 176.35 172.91 1r4y s SER 26 N 11.75 -0.16 -1.20 3.68 0.01 -1.26 -4.98 113.70 121.54 1r4y s SER 26 Ca 0.95 0.19 -0.18 0.00 1.31 0.00 0.00 55.95 58.22 1r4y s SER 26 Cb -0.16 0.15 0.08 0.00 0.21 0.00 0.00 66.02 66.31 1r4y s SER 26 CO 0.21 -0.14 1.60 -0.62 0.41 0.00 0.00 173.24 174.70 1r4y s ASP 27 N -0.94 6.79 -0.24 2.44 2.15 -1.26 -4.38 116.67 121.22 1r4y s ASP 27 Ca 0.05 -2.30 -0.08 0.00 0.43 0.00 0.00 52.55 50.65 1r4y s ASP 27 Cb -0.01 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.08 1r4y s ASP 27 CO -0.05 -1.17 0.31 0.61 -0.17 0.00 0.00 175.17 174.69 1r4y n GLY 28 N 5.53 -1.40 2.70 2.66 0.00 -0.41 -4.60 105.19 109.66 1r4y n GLY 28 Ca 0.42 0.63 -0.06 0.00 0.00 0.00 0.00 46.02 47.02 1r4y n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r4y n LYS 29 N -0.28 1.27 -4.15 1.61 4.76 -1.25 -5.02 118.16 115.11 1r4y n LYS 29 Ca 0.06 -2.54 -0.13 0.00 -2.87 0.00 0.00 58.31 52.82 1r4y n LYS 29 Cb 0.24 -0.67 -0.11 0.00 -1.84 0.00 0.00 35.03 32.64 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 -1.68 0.81 0.13 -0.18 -4.23 -1.26 -5.04 115.64 104.20 1r4y s THR 30 Ca 0.23 -1.56 -0.27 0.00 -1.18 0.00 0.00 61.69 58.91 1r4y s THR 30 Cb 0.42 -1.24 -0.07 0.00 1.34 0.00 0.00 72.50 72.94 1r4y s THR 30 CO -0.04 -0.57 1.47 1.23 -0.54 0.00 0.00 174.62 176.17 1r4y h GLY 31 N 3.68 -1.12 0.00 3.99 0.00 -1.53 -2.92 103.07 105.18 1r4y h GLY 31 Ca -0.37 0.82 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1r4y h GLY 31 CO 0.52 -0.13 0.00 -1.26 0.00 0.00 0.00 176.54 175.67 1r4y n SER 32 N -4.95 0.00 0.00 0.19 2.88 -0.55 -4.12 113.62 107.07 1r4y n SER 32 Ca 0.00 0.76 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 1r4y n SER 32 Cb 0.24 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 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 -1.65 0.00 -4.77 -3.46 3.41 -1.10 -4.98 113.62 101.07 1r4y n SER 33 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 1r4y n SER 33 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 3.19 0.61 7.33 2.02 -1.26 -3.80 117.35 125.44 1r4y s TYR 34 Ca 0.00 1.58 -0.12 0.00 -0.37 0.00 0.00 57.07 58.16 1r4y s TYR 34 Cb 0.00 -3.38 -0.04 0.00 -0.40 0.00 0.00 41.96 38.14 1r4y s TYR 34 CO 0.00 -1.15 1.03 -1.25 -1.57 0.00 0.00 175.55 172.60 1r4y s PRO 35 N -2.08 3.55 0.05 -1.71 0.04 -1.26 -4.74 135.00 128.84 1r4y s PRO 35 Ca 0.53 0.83 -0.02 0.00 0.04 0.00 0.00 61.00 62.39 1r4y s PRO 35 Cb -0.31 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 1r4y s PRO 35 CO 0.40 -0.60 -0.00 -3.38 0.04 0.00 0.00 177.00 173.45 1r4y s HIS 36 N -3.03 0.41 0.63 0.56 -3.43 -1.13 -1.29 115.29 108.01 1r4y s HIS 36 Ca 0.56 -0.88 -0.18 0.00 -0.80 0.00 0.00 55.06 53.76 1r4y s HIS 36 Cb -0.11 -0.30 -0.02 0.00 -1.43 0.00 0.00 32.58 30.71 1r4y s HIS 36 CO 0.49 -0.36 1.19 1.87 -2.00 0.00 0.00 174.74 175.94 1r4y n TRP 37 N 0.43 1.60 -3.83 0.38 -0.00 -1.26 -1.98 117.44 112.78 1r4y n TRP 37 Ca -0.16 0.43 -0.29 0.00 -0.00 0.00 0.00 57.50 57.48 1r4y n TRP 37 Cb 0.60 -2.23 -0.12 0.00 -0.00 0.00 0.00 31.31 29.55 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 -1.42 2.97 0.29 5.87 5.36 0.13 -4.74 117.98 126.43 1r4y s PHE 38 Ca 0.80 -3.06 0.13 0.00 -0.96 0.00 0.00 56.93 53.84 1r4y s PHE 38 Cb -0.39 -2.41 0.97 0.00 -0.34 0.00 0.00 43.02 40.84 1r4y s PHE 38 CO 0.43 -0.66 1.30 0.25 -1.46 0.00 0.00 175.22 175.08 1r4y n THR 39 N 2.56 -0.35 -1.53 0.12 -2.24 -1.26 -4.52 114.28 107.06 1r4y n THR 39 Ca 0.16 1.71 -0.18 0.00 -2.27 0.00 0.00 64.05 63.47 1r4y n THR 39 Cb 0.36 -2.69 -0.08 0.00 -2.10 0.00 0.00 70.33 65.82 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 -4.95 -4.72 0.00 3.42 5.15 -1.26 -0.20 115.26 112.69 1r4y n ASN 40 Ca 0.28 0.44 0.00 0.00 -0.60 0.00 0.00 54.58 54.70 1r4y n ASN 40 Cb 0.94 -4.24 0.00 0.00 -0.53 0.00 0.00 39.78 35.95 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 -0.34 2.42 3.47 8.20 0.00 -1.26 -3.64 105.19 114.03 1r4y n GLY 41 Ca -0.18 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.89 0.08 1.61 4.01 0.71 -4.22 117.16 118.46 1r4y n TYR 42 Ca 0.00 0.30 -0.08 0.00 -0.16 0.00 0.00 57.90 57.96 1r4y n TYR 42 Cb 0.00 -1.87 -0.08 0.00 -0.31 0.00 0.00 39.34 37.08 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 -1.01 0.11 0.00 7.72 3.32 -1.84 -3.45 116.42 121.26 1r4y h ASP 43 Ca -0.45 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1r4y h ASP 43 Cb 1.31 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1r4y h ASP 43 CO 0.39 1.02 0.00 0.61 -1.72 0.00 0.00 179.24 179.54 1r4y n GLY 44 N 1.21 1.55 2.05 2.75 0.00 -1.26 -5.05 105.19 106.44 1r4y n GLY 44 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1r4y n GLY 44 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1r4y n ASP 45 N 0.00 -0.93 0.00 1.61 -0.08 -1.26 -3.24 116.55 112.65 1r4y n ASP 45 Ca 0.00 0.35 0.00 0.00 -1.51 0.00 0.00 54.79 53.63 1r4y n ASP 45 Cb 0.00 1.03 0.00 0.00 2.34 0.00 0.00 41.12 44.49 1r4y n ASP 45 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1r4y n GLY 46 N 0.37 1.86 1.74 0.27 0.00 -1.25 -3.90 105.19 104.28 1r4y n GLY 46 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 -0.24 -3.23 1.61 5.02 -1.26 -3.82 118.16 116.24 1r4y n LYS 47 Ca 0.00 -1.04 -0.18 0.00 -2.02 0.00 0.00 58.31 55.07 1r4y n LYS 47 Cb 0.00 -0.49 -0.00 0.00 -0.02 0.00 0.00 35.03 34.52 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 3.67 0.00 -0.35 1.02 -1.26 -3.33 118.68 118.43 1r4y s LEU 48 Ca 0.32 -0.44 -0.19 0.00 0.02 0.00 0.00 54.13 53.85 1r4y s LEU 48 Cb -0.01 -2.55 0.27 0.00 0.02 0.00 0.00 46.19 43.92 1r4y s LEU 48 CO 0.22 -0.66 1.05 -0.81 0.02 0.00 0.00 176.35 176.17 1r4y n PRO 49 N -1.74 -2.74 -2.62 1.29 -0.04 -1.26 -4.88 135.00 123.01 1r4y n PRO 49 Ca 0.05 -1.67 -0.42 0.00 -0.04 0.00 0.00 63.50 61.42 1r4y n PRO 49 Cb 0.59 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 1r4y n PRO 49 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1r4y s LYS 50 N -5.37 3.38 0.00 0.54 2.36 -1.26 -4.34 119.74 115.05 1r4y s LYS 50 Ca 0.67 -0.01 0.00 0.00 -2.55 0.00 0.00 55.97 54.08 1r4y s LYS 50 Cb -0.06 -4.08 0.00 0.00 -1.05 0.00 0.00 37.83 32.64 1r4y s LYS 50 CO 0.51 -1.80 0.00 0.41 1.55 0.00 0.00 175.35 176.01 1r4y n GLY 51 N 5.17 0.69 3.81 5.54 0.00 -1.26 -5.17 105.19 113.97 1r4y n GLY 51 Ca 0.05 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.32 1r4y n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1r4y s ARG 52 N -0.52 1.61 -0.27 1.61 3.03 -1.26 -5.14 118.95 118.00 1r4y s ARG 52 Ca 0.00 -0.87 -0.01 0.00 2.03 0.00 0.00 55.73 56.88 1r4y s ARG 52 Cb 0.00 0.56 0.16 0.00 -1.03 0.00 0.00 34.95 34.64 1r4y s ARG 52 CO 0.00 -0.74 0.48 0.99 -1.13 0.00 0.00 175.30 174.90 1r4y s THR 53 N -3.75 -0.78 1.04 4.99 2.01 -1.26 -5.08 115.64 112.80 1r4y s THR 53 Ca 0.11 -0.07 -0.15 0.00 0.31 0.00 0.00 61.69 61.89 1r4y s THR 53 Cb -0.05 -0.92 0.21 0.00 0.01 0.00 0.00 72.50 71.76 1r4y s THR 53 CO 0.05 -0.09 1.12 -2.16 -0.69 0.00 0.00 174.62 172.85 1r4y s PRO 54 N 2.68 0.08 -0.00 4.92 0.04 -1.24 -4.86 135.00 136.62 1r4y s PRO 54 Ca 0.15 0.21 -0.24 0.00 0.04 0.00 0.00 61.00 61.16 1r4y s PRO 54 Cb -0.14 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 1r4y s PRO 54 CO -0.20 -2.90 0.73 0.42 0.04 0.00 0.00 177.00 175.08 1r4y s ILE 55 N -3.12 4.87 0.33 0.56 1.01 -1.26 -5.05 121.20 118.54 1r4y s ILE 55 Ca 0.67 1.52 -0.16 0.00 0.00 0.00 0.00 60.65 62.68 1r4y s ILE 55 Cb -0.14 -4.07 -0.09 0.00 0.01 0.00 0.00 42.46 38.17 1r4y s ILE 55 CO 0.56 0.33 0.77 -0.75 0.00 0.00 0.00 174.94 175.84 1r4y s LYS 56 N 0.25 4.07 0.00 2.79 2.36 -1.26 -4.95 119.74 123.01 1r4y s LYS 56 Ca 0.38 0.76 0.00 0.00 -2.55 0.00 0.00 55.97 54.56 1r4y s LYS 56 Cb -0.19 -2.45 0.00 0.00 -1.05 0.00 0.00 37.83 34.13 1r4y s LYS 56 CO 0.21 0.16 0.00 1.19 1.55 0.00 0.00 175.35 178.46 1r4y n PHE 57 N -0.27 0.00 0.00 4.03 3.72 -1.26 -4.91 117.46 118.78 1r4y n PHE 57 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1r4y n PHE 57 Cb 0.53 0.30 0.00 0.00 -0.94 0.00 0.00 39.48 39.37 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 2.06 0.81 3.71 1.37 0.00 -1.26 -5.11 105.19 106.77 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 -0.43 4.28 0.04 1.61 3.01 -1.26 -4.96 119.74 122.02 1r4y s LYS 59 Ca 0.00 0.27 0.05 0.00 -1.01 0.00 0.00 55.97 55.28 1r4y s LYS 59 Cb 0.00 -3.46 0.25 0.00 -1.01 0.00 0.00 37.83 33.61 1r4y s LYS 59 CO 0.00 0.14 1.16 -1.13 0.51 0.00 0.00 175.35 176.03 1r4y n SER 60 N 3.84 0.08 -0.08 2.83 3.41 -1.26 -0.39 113.62 122.04 1r4y n SER 60 Ca -0.09 0.53 -0.13 0.00 -0.26 0.00 0.00 58.87 58.92 1r4y n SER 60 Cb 0.52 -0.54 -0.07 0.00 -0.26 0.00 0.00 64.21 63.85 1r4y n SER 60 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1r4y h ASP 61 N 0.00 0.00 1.01 4.04 5.19 -1.93 -2.65 116.42 122.08 1r4y h ASP 61 Ca 0.00 -0.34 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 1r4y h ASP 61 Cb 0.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1r4y h ASP 61 CO 0.00 1.11 0.00 0.00 -3.12 0.00 0.00 179.24 177.23 1r4y h ASP 63 N 0.00 0.63 -3.39 0.00 3.58 -0.88 -3.48 116.42 112.88 1r4y h ASP 63 Ca 0.00 -0.93 -0.55 0.00 0.42 0.00 0.00 57.03 55.97 1r4y h ASP 63 Cb 0.51 -0.20 0.19 0.00 1.72 0.00 0.00 39.33 41.55 1r4y h ASP 63 CO 0.00 1.76 -0.34 -2.11 -2.88 0.00 0.00 179.24 175.67 1r4y n ARG 64 N -3.66 0.16 -2.21 0.28 1.85 -1.00 -4.92 116.66 107.17 1r4y n ARG 64 Ca -0.24 0.10 -0.41 0.00 -1.00 0.00 0.00 57.85 56.31 1r4y n ARG 64 Cb 1.06 -1.92 -0.03 0.00 -1.05 0.00 0.00 32.46 30.52 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 -3.13 4.41 1.14 2.89 0.04 -1.26 -4.98 135.00 134.11 1r4y s PRO 65 Ca 0.65 2.10 -0.15 0.00 0.04 0.00 0.00 61.00 63.63 1r4y s PRO 65 Cb -0.31 -3.13 0.26 0.00 0.04 0.00 0.00 34.50 31.36 1r4y s PRO 65 CO 0.59 -0.15 1.05 -1.25 0.04 0.00 0.00 177.00 177.29 1r4y s PRO 66 N -1.14 -0.75 -0.38 0.56 0.04 -1.25 -4.94 135.00 127.14 1r4y s PRO 66 Ca 0.51 0.45 0.11 0.00 0.04 0.00 0.00 61.00 62.10 1r4y s PRO 66 Cb -0.37 -1.61 0.32 0.00 0.04 0.00 0.00 34.50 32.88 1r4y s PRO 66 CO 0.46 -3.51 0.69 1.63 0.04 0.00 0.00 177.00 176.30 1r4y n LYS 67 N -4.71 0.89 -1.51 4.56 4.76 -1.24 -3.74 118.16 117.17 1r4y n LYS 67 Ca 0.06 -3.26 -0.30 0.00 -2.87 0.00 0.00 58.31 51.94 1r4y n LYS 67 Cb 0.57 -1.54 0.09 0.00 -1.84 0.00 0.00 35.03 32.31 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 -1.94 2.82 0.12 2.13 5.65 -1.20 -3.83 115.29 119.03 1r4y s HIS 68 Ca 0.38 1.22 -0.01 0.00 0.25 0.00 0.00 55.06 56.90 1r4y s HIS 68 Cb 0.29 -3.08 0.00 0.00 -1.18 0.00 0.00 32.58 28.61 1r4y s HIS 68 CO -0.09 -1.75 0.17 -1.13 -0.65 0.00 0.00 174.74 171.29 1r4y n SER 69 N -3.43 -0.48 -4.10 9.88 3.41 -1.26 -4.27 113.62 113.38 1r4y n SER 69 Ca 0.07 -1.66 -0.43 0.00 -0.26 0.00 0.00 58.87 56.59 1r4y n SER 69 Cb 0.56 0.89 0.00 0.00 -0.26 0.00 0.00 64.21 65.40 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 -0.20 3.20 0.00 4.33 5.02 -1.26 -3.63 118.16 125.62 1r4y n LYS 70 Ca 0.00 -3.19 0.00 0.00 -2.02 0.00 0.00 58.31 53.10 1r4y n LYS 70 Cb 0.21 -3.22 0.00 0.00 -0.02 0.00 0.00 35.03 32.00 1r4y n LYS 70 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1r4y n ASP 71 N 6.09 0.00 0.00 4.39 -0.08 -1.26 -5.07 116.55 120.62 1r4y n ASP 71 Ca 0.46 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.74 1r4y n ASP 71 Cb 0.41 0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.91 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 -0.92 2.45 2.86 0.27 0.00 -1.24 -4.86 105.19 103.74 1r4y n GLY 72 Ca 0.00 -0.72 -0.27 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 0.00 4.39 0.00 1.61 0.23 -1.26 -4.55 115.26 115.68 1r4y n ASN 73 Ca 0.00 -3.65 0.00 0.00 -0.53 0.00 0.00 54.58 50.40 1r4y n ASN 73 Cb 0.00 -0.58 0.00 0.00 -2.08 0.00 0.00 39.78 37.12 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 -0.07 -0.04 0.00 4.83 0.00 -1.26 -4.87 105.19 103.77 1r4y n GLY 74 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.14 1.61 5.02 -1.26 -4.76 118.16 118.63 1r4y n LYS 75 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1r4y n LYS 75 Cb 0.00 -0.46 0.04 0.00 -0.02 0.00 0.00 35.03 34.59 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 0.83 -0.70 -0.18 5.66 -1.26 -5.07 114.28 113.55 1r4y n THR 76 Ca 0.00 -0.94 -0.17 0.00 -3.05 0.00 0.00 64.05 59.89 1r4y n THR 76 Cb 0.00 0.38 -0.08 0.00 -1.55 0.00 0.00 70.33 69.08 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 -0.56 -0.09 -3.24 1.09 9.92 -1.26 -4.62 116.55 117.79 1r4y n ASP 77 Ca 0.05 -0.01 -0.37 0.00 -0.53 0.00 0.00 54.79 53.93 1r4y n ASP 77 Cb 0.52 -0.38 -0.02 0.00 -0.64 0.00 0.00 41.12 40.60 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 4.30 2.31 -2.77 1.24 1.44 -1.25 -4.71 115.22 115.78 1r4y n HIS 78 Ca 0.31 -2.67 -0.41 0.00 -2.01 0.00 0.00 57.72 52.95 1r4y n HIS 78 Cb 0.03 -1.84 -0.04 0.00 0.12 0.00 0.00 29.99 28.25 1r4y n HIS 78 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1r4y s TYR 79 N -0.72 3.76 0.02 -1.40 -0.85 -1.26 -3.69 117.35 113.21 1r4y s TYR 79 Ca 0.58 1.72 -0.30 0.00 -0.52 0.00 0.00 57.07 58.54 1r4y s TYR 79 Cb 0.22 -3.03 -0.06 0.00 0.38 0.00 0.00 41.96 39.48 1r4y s TYR 79 CO -0.11 0.17 1.36 -0.51 -1.52 0.00 0.00 175.55 174.94 1r4y s LEU 80 N 0.22 4.33 0.01 -3.49 1.43 -1.26 -2.97 118.68 116.94 1r4y s LEU 80 Ca 0.46 2.11 0.08 0.00 -1.03 0.00 0.00 54.13 55.76 1r4y s LEU 80 Cb -0.22 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.41 1r4y s LEU 80 CO 0.28 -0.67 -0.26 -0.22 0.23 0.00 0.00 176.35 175.71 1r4y s LEU 81 N 2.07 2.10 0.35 1.79 0.20 -0.56 0.18 118.68 124.80 1r4y s LEU 81 Ca 0.63 -0.52 0.07 0.00 0.69 0.00 0.00 54.13 55.00 1r4y s LEU 81 Cb -0.31 -1.30 -0.02 0.00 -0.43 0.00 0.00 46.19 44.13 1r4y s LEU 81 CO 0.27 0.29 0.38 -1.83 -0.29 0.00 0.00 176.35 175.17 1r4y s GLU 82 N -0.86 2.83 -0.19 1.98 1.03 -0.84 -2.18 118.70 120.48 1r4y s GLU 82 Ca 0.11 -1.23 -0.09 0.00 0.03 0.00 0.00 54.97 53.78 1r4y s GLU 82 Cb -0.10 -2.60 0.07 0.00 -0.80 0.00 0.00 34.13 30.71 1r4y s GLU 82 CO 0.00 0.02 0.45 0.12 -1.33 0.00 0.00 175.26 174.52 1r4y s PHE 83 N -2.29 -0.73 -0.16 4.83 5.36 -0.83 -2.82 117.98 121.34 1r4y s PHE 83 Ca 0.44 1.47 -0.29 0.00 -0.96 0.00 0.00 56.93 57.59 1r4y s PHE 83 Cb -0.07 0.33 -0.03 0.00 -0.34 0.00 0.00 43.02 42.92 1r4y s PHE 83 CO 0.29 -0.41 1.46 -1.25 -1.46 0.00 0.00 175.22 173.84 1r4y s PRO 84 N 1.80 4.09 -0.25 10.12 0.04 -1.26 -1.08 135.00 148.46 1r4y s PRO 84 Ca -0.07 1.77 0.03 0.00 0.04 0.00 0.00 61.00 62.77 1r4y s PRO 84 Cb -0.09 -3.90 0.05 0.00 0.04 0.00 0.00 34.50 30.60 1r4y s PRO 84 CO -0.14 -0.92 -0.12 -0.08 0.04 0.00 0.00 177.00 175.78 1r4y s THR 85 N 4.12 2.16 0.58 1.26 -1.32 -1.16 -4.71 115.64 116.56 1r4y s THR 85 Ca 0.64 -1.55 -0.13 0.00 -1.21 0.00 0.00 61.69 59.44 1r4y s THR 85 Cb -0.25 -2.23 -0.05 0.00 -1.51 0.00 0.00 72.50 68.46 1r4y s THR 85 CO 0.23 0.04 1.02 -0.36 -2.21 0.00 0.00 174.62 173.34 1r4y s PHE 86 N 1.12 3.49 0.16 9.09 0.08 -1.26 -4.82 117.98 125.84 1r4y s PHE 86 Ca -0.07 1.38 -0.04 0.00 0.12 0.00 0.00 56.93 58.32 1r4y s PHE 86 Cb -0.19 -2.77 0.01 0.00 -0.57 0.00 0.00 43.02 39.49 1r4y s PHE 86 CO -0.06 -0.63 1.40 -1.00 -0.10 0.00 0.00 175.22 174.83 1r4y h PRO 87 N 0.15 0.49 -1.32 0.24 0.13 -1.94 -3.19 132.00 126.57 1r4y h PRO 87 Ca -0.45 -0.40 0.38 0.00 -0.87 0.00 0.00 66.00 64.66 1r4y h PRO 87 Cb 1.19 0.09 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 1r4y h PRO 87 CO 0.61 1.04 0.95 -0.44 -0.23 0.00 0.00 178.00 179.93 1r4y h ASP 88 N 0.33 0.00 0.00 1.44 3.32 -1.95 -3.45 116.42 116.12 1r4y h ASP 88 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1r4y h ASP 88 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1r4y h ASP 88 CO 0.13 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.26 1r4y n GLY 89 N -1.80 0.74 3.70 2.75 0.00 -1.21 -5.03 105.19 104.35 1r4y n GLY 89 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.47 3.46 -0.36 1.61 -3.43 -1.26 -4.95 115.29 107.88 1r4y s HIS 90 Ca 0.00 1.42 -0.29 0.00 -0.80 0.00 0.00 55.06 55.39 1r4y s HIS 90 Cb 0.00 -3.32 -0.08 0.00 -1.43 0.00 0.00 32.58 27.75 1r4y s HIS 90 CO 0.00 -0.84 2.30 -3.47 -2.00 0.00 0.00 174.74 170.73 1r4y n ASP 91 N 4.26 2.58 -3.83 7.38 2.03 -1.26 -4.61 116.55 123.11 1r4y n ASP 91 Ca 0.08 0.05 -0.49 0.00 0.52 0.00 0.00 54.79 54.96 1r4y n ASP 91 Cb 0.48 -1.46 -0.06 0.00 -0.72 0.00 0.00 41.12 39.35 1r4y n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r4y n TYR 92 N 12.39 0.36 -0.54 -0.67 9.36 -1.26 -4.76 117.16 132.05 1r4y n TYR 92 Ca 0.36 0.89 -0.16 0.00 3.32 0.00 0.00 57.90 62.32 1r4y n TYR 92 Cb 0.40 -1.76 -0.01 0.00 -0.63 0.00 0.00 39.34 37.34 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 1.20 1.51 0.00 2.98 2.85 -1.26 -4.49 118.16 120.94 1r4y n LYS 93 Ca 0.17 -1.18 0.10 0.00 -1.05 0.00 0.00 58.31 56.35 1r4y n LYS 93 Cb 0.10 -2.31 0.50 0.00 -0.65 0.00 0.00 35.03 32.67 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 4.36 0.00 -0.05 5.58 1.16 -1.26 -3.24 117.46 124.01 1r4y n PHE 94 Ca 0.32 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.70 1r4y n PHE 94 Cb 0.10 -0.25 -0.13 0.00 -1.61 0.00 0.00 39.48 37.59 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 -1.25 2.07 -4.55 5.98 -0.08 -1.26 -1.48 116.55 115.97 1r4y n ASP 95 Ca 0.10 0.11 -0.39 0.00 -1.51 0.00 0.00 54.79 53.09 1r4y n ASP 95 Cb 0.15 -0.72 -0.03 0.00 2.34 0.00 0.00 41.12 42.86 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 -6.88 5.94 0.15 1.67 0.01 -1.20 -3.91 113.70 109.48 1r4y s SER 96 Ca -0.27 -0.44 -0.17 0.00 1.31 0.00 0.00 55.95 56.38 1r4y s SER 96 Cb 0.08 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.77 1r4y s SER 96 CO 0.70 -1.97 1.79 0.07 0.41 0.00 0.00 173.24 174.24 1r4y h LYS 97 N 11.23 0.42 -3.12 12.44 2.10 -1.85 -3.37 116.57 134.42 1r4y h LYS 97 Ca -0.17 -0.03 -0.24 0.00 -2.00 0.00 0.00 60.65 58.21 1r4y h LYS 97 Cb 1.07 -0.09 -0.32 0.00 -0.90 0.00 0.00 32.23 31.98 1r4y h LYS 97 CO 1.28 0.28 -0.58 0.15 -2.00 0.00 0.00 179.45 178.58 1r4y s LYS 98 N -6.16 0.11 1.06 0.07 1.02 -1.26 -3.99 119.74 110.59 1r4y s LYS 98 Ca -0.13 0.49 -0.14 0.00 0.02 0.00 0.00 55.97 56.21 1r4y s LYS 98 Cb 0.11 -0.18 0.22 0.00 -0.52 0.00 0.00 37.83 37.46 1r4y s LYS 98 CO 0.72 -0.22 1.09 -1.25 -0.92 0.00 0.00 175.35 174.77 1r4y s PRO 99 N 1.62 -0.10 0.05 -1.68 0.04 -1.26 -5.18 135.00 128.49 1r4y s PRO 99 Ca -0.05 0.37 0.06 0.00 0.04 0.00 0.00 61.00 61.41 1r4y s PRO 99 Cb -0.12 -1.69 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 1r4y s PRO 99 CO -0.07 -3.05 -0.16 -1.59 0.04 0.00 0.00 177.00 172.17 1r4y s LYS 100 N -5.05 1.03 0.44 4.56 -2.85 -1.26 -4.77 119.74 111.84 1r4y s LYS 100 Ca 0.67 -0.83 0.02 0.00 -1.00 0.00 0.00 55.97 54.84 1r4y s LYS 100 Cb -0.17 -1.07 0.00 0.00 -2.06 0.00 0.00 37.83 34.54 1r4y s LYS 100 CO 0.58 0.26 0.64 -2.00 0.10 0.00 0.00 175.35 174.93 1r4y s GLU 101 N -1.22 2.97 0.14 1.78 2.12 -1.26 -5.06 118.70 118.16 1r4y s GLU 101 Ca 0.03 -0.71 -0.24 0.00 0.36 0.00 0.00 54.97 54.41 1r4y s GLU 101 Cb -0.08 -2.62 -0.14 0.00 0.26 0.00 0.00 34.13 31.55 1r4y s GLU 101 CO 0.02 -0.28 0.48 -1.71 -0.54 0.00 0.00 175.26 173.23 1r4y n ASN 102 N -2.01 -0.85 0.03 -1.70 5.15 -1.26 -4.96 115.26 109.65 1r4y n ASN 102 Ca 0.03 0.91 -0.01 0.00 -0.60 0.00 0.00 54.58 54.90 1r4y n ASN 102 Cb 0.58 -0.76 -0.01 0.00 -0.53 0.00 0.00 39.78 39.07 1r4y n ASN 102 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1r4y h PRO 103 N 1.05 -0.08 0.00 1.20 0.13 -2.01 -3.49 132.00 128.79 1r4y h PRO 103 Ca -0.25 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1r4y h PRO 103 Cb 1.15 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1r4y h PRO 103 CO 0.47 -0.06 0.00 0.41 -0.23 0.00 0.00 178.00 178.59 1r4y n GLY 104 N 0.72 4.29 0.06 1.56 0.00 -1.26 -4.72 105.19 105.83 1r4y n GLY 104 Ca -0.01 -1.26 -0.02 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.10 -6.66 1.61 0.13 -1.93 -3.45 132.00 121.59 1r4y h PRO 105 Ca 0.00 0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 64.61 1r4y h PRO 105 Cb 0.00 0.02 0.05 0.00 0.13 0.00 0.00 31.00 31.20 1r4y h PRO 105 CO 0.00 -0.07 0.83 0.00 -0.23 0.00 0.00 178.00 178.53 1r4y s ALA 106 N -3.12 3.72 0.02 -0.56 0.00 -1.25 -4.36 121.76 116.20 1r4y s ALA 106 Ca -0.02 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1r4y s ALA 106 Cb 0.00 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 1r4y s ALA 106 CO 0.05 -0.77 -0.03 1.03 0.00 0.00 0.00 175.76 176.04 1r4y s ARG 107 N 0.59 0.34 -0.27 0.00 0.52 -0.44 -2.98 118.95 116.72 1r4y s ARG 107 Ca 0.66 -0.66 -0.22 0.00 -0.52 0.00 0.00 55.73 55.00 1r4y s ARG 107 Cb -0.43 0.09 -0.01 0.00 0.52 0.00 0.00 34.95 35.12 1r4y s ARG 107 CO 0.36 -0.05 0.69 0.54 0.02 0.00 0.00 175.30 176.86 1r4y s VAL 108 N -1.60 4.92 -0.27 3.52 0.11 -0.24 -1.58 120.40 125.26 1r4y s VAL 108 Ca -0.14 1.19 -0.07 0.00 -2.93 0.00 0.00 61.98 60.02 1r4y s VAL 108 Cb -0.09 -4.01 -0.01 0.00 -1.53 0.00 0.00 36.38 30.74 1r4y s VAL 108 CO -0.01 -0.06 0.07 -0.63 -3.33 0.00 0.00 175.10 171.14 1r4y s ILE 109 N 2.65 4.13 0.05 7.04 1.09 -1.05 -1.96 121.20 133.16 1r4y s ILE 109 Ca 0.29 -0.40 0.02 0.00 -1.10 0.00 0.00 60.65 59.45 1r4y s ILE 109 Cb -0.15 -3.01 -0.03 0.00 -1.06 0.00 0.00 42.46 38.21 1r4y s ILE 109 CO 0.09 0.23 -0.08 -0.72 -0.10 0.00 0.00 174.94 174.37 1r4y s TYR 110 N 1.56 0.69 0.50 3.97 -0.85 -0.92 -0.30 117.35 122.00 1r4y s TYR 110 Ca 0.05 -0.57 -0.11 0.00 -0.52 0.00 0.00 57.07 55.93 1r4y s TYR 110 Cb -0.16 -0.42 -0.05 0.00 0.38 0.00 0.00 41.96 41.71 1r4y s TYR 110 CO 0.03 -0.10 0.89 0.95 -1.52 0.00 0.00 175.55 175.80 1r4y s THR 111 N -1.73 4.74 0.20 -3.49 -4.23 -1.23 -1.50 115.64 108.41 1r4y s THR 111 Ca -0.07 0.72 0.06 0.00 -1.18 0.00 0.00 61.69 61.23 1r4y s THR 111 Cb -0.08 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 69.93 1r4y s THR 111 CO -0.00 -0.80 0.17 -0.47 -0.54 0.00 0.00 174.62 172.98 1r4y s TYR 112 N -2.72 3.15 -0.05 3.99 6.14 -1.16 -3.17 117.35 123.53 1r4y s TYR 112 Ca 0.53 -0.05 -0.26 0.00 0.64 0.00 0.00 57.07 57.92 1r4y s TYR 112 Cb -0.10 -1.47 -0.22 0.00 0.42 0.00 0.00 41.96 40.59 1r4y s TYR 112 CO 0.40 0.52 1.15 -1.00 0.64 0.00 0.00 175.55 177.26 1r4y h PRO 113 N 1.99 0.02 -5.63 4.97 0.13 -1.84 -3.39 132.00 128.25 1r4y h PRO 113 Ca -0.48 -0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.04 1r4y h PRO 113 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1r4y h PRO 113 CO 0.62 0.63 1.55 -1.71 -0.23 0.00 0.00 178.00 178.86 1r4y n ASN 114 N -4.77 1.44 -4.57 1.44 5.15 -1.26 -4.76 115.26 107.94 1r4y n ASN 114 Ca -0.09 0.20 -0.17 0.00 -0.60 0.00 0.00 54.58 53.92 1r4y n ASN 114 Cb 0.32 -1.18 -0.11 0.00 -0.53 0.00 0.00 39.78 38.28 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 8.35 0.38 -2.05 1.20 5.02 -1.19 -4.33 118.16 125.54 1r4y n LYS 115 Ca 0.49 -1.85 -0.42 0.00 -2.02 0.00 0.00 58.31 54.52 1r4y n LYS 115 Cb 0.20 -3.90 0.00 0.00 -0.02 0.00 0.00 35.03 31.31 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 8.86 3.70 -1.13 -0.18 0.31 -1.21 -4.82 118.33 123.87 1r4y n VAL 116 Ca 0.42 -3.49 -0.45 0.00 -0.01 0.00 0.00 64.34 60.80 1r4y n VAL 116 Cb 0.47 -2.51 -0.11 0.00 -0.91 0.00 0.00 33.84 30.77 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 6.39 0.81 -0.01 3.52 7.35 -1.26 -3.47 117.46 130.78 1r4y n PHE 117 Ca 0.49 0.54 -0.20 0.00 -0.76 0.00 0.00 57.45 57.52 1r4y n PHE 117 Cb 0.41 -1.96 -0.14 0.00 0.35 0.00 0.00 39.48 38.14 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 1.67 -0.57 3.16 0.00 0.00 -1.23 -4.98 105.19 103.24 1r4y n GLY 119 Ca -0.22 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 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 1.30 0.08 -0.61 -1.09 -1.26 -2.51 121.20 113.10 1r4y s ILE 120 Ca 0.00 -0.78 0.05 0.00 -2.23 0.00 0.00 60.65 57.70 1r4y s ILE 120 Cb 0.00 -1.10 -0.03 0.00 -1.58 0.00 0.00 42.46 39.75 1r4y s ILE 120 CO 0.00 0.31 -0.14 0.27 -1.23 0.00 0.00 174.94 174.15 1r4y s ILE 121 N -0.47 1.14 -0.02 2.92 -4.36 -0.62 0.12 121.20 119.92 1r4y s ILE 121 Ca 0.06 -1.35 -0.29 0.00 -0.26 0.00 0.00 60.65 58.81 1r4y s ILE 121 Cb -0.07 -1.12 0.10 0.00 1.25 0.00 0.00 42.46 42.63 1r4y s ILE 121 CO -0.00 -0.24 0.99 0.00 0.24 0.00 0.00 174.94 175.92 1r4y s ALA 122 N -1.36 -1.87 -0.88 2.27 0.00 -0.82 -1.33 121.76 117.77 1r4y s ALA 122 Ca -0.01 0.97 -0.17 0.00 0.00 0.00 0.00 51.96 52.74 1r4y s ALA 122 Cb -0.09 0.35 0.15 0.00 0.00 0.00 0.00 23.12 23.52 1r4y s ALA 122 CO 0.02 -0.75 1.00 -1.01 0.00 0.00 0.00 175.76 175.03 1r4y s HIS 123 N -2.97 3.29 -0.69 0.00 0.09 -1.26 -2.63 115.29 111.13 1r4y s HIS 123 Ca 0.08 -1.53 -0.01 0.00 -0.00 0.00 0.00 55.06 53.59 1r4y s HIS 123 Cb -0.01 -4.14 0.42 0.00 -0.00 0.00 0.00 32.58 28.85 1r4y s HIS 123 CO -0.06 -1.34 1.96 0.25 -0.00 0.00 0.00 174.74 175.55 1r4y n THR 124 N 5.07 3.52 -0.02 1.30 -2.24 -1.26 -4.16 114.28 116.50 1r4y n THR 124 Ca 0.19 -3.47 0.02 0.00 -2.27 0.00 0.00 64.05 58.53 1r4y n THR 124 Cb 0.48 -1.19 -0.09 0.00 -2.10 0.00 0.00 70.33 67.44 1r4y n THR 124 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1r4y n LYS 125 N -0.78 0.99 0.00 -0.78 4.81 -1.26 -5.03 118.16 116.10 1r4y n LYS 125 Ca 0.59 -0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1r4y n LYS 125 Cb 0.55 -1.27 0.00 0.00 0.02 0.00 0.00 35.03 34.33 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 -2.06 0.00 0.00 1.64 2.13 -1.26 -5.02 120.64 116.07 1r4y n GLU 126 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1r4y n GLU 126 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.19 1r4y n GLU 126 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1r4y n ASN 127 N -1.88 0.00 -2.99 4.31 4.13 -1.26 -5.04 115.26 112.53 1r4y n ASN 127 Ca 0.00 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.16 1r4y n ASN 127 Cb 0.00 0.20 -0.02 0.00 -1.54 0.00 0.00 39.78 38.41 1r4y n ASN 127 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1r4y s GLN 128 N -1.55 0.99 0.00 3.52 0.74 -1.26 -4.80 119.66 117.30 1r4y s GLN 128 Ca 0.00 -1.26 0.00 0.00 0.05 0.00 0.00 55.36 54.15 1r4y s GLN 128 Cb 0.00 -0.43 0.00 0.00 1.10 0.00 0.00 33.01 33.68 1r4y s GLN 128 CO 0.00 -1.33 0.00 0.41 -0.55 0.00 0.00 175.29 173.82 1r4y n GLY 129 N 3.11 2.04 3.90 2.59 0.00 -1.26 -5.12 105.19 110.44 1r4y n GLY 129 Ca 0.20 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 1.82 3.55 0.06 1.61 2.56 -1.26 -4.98 118.70 122.06 1r4y s GLU 130 Ca 0.00 0.26 0.04 0.00 0.00 0.00 0.00 54.97 55.27 1r4y s GLU 130 Cb 0.00 -2.35 -0.04 0.00 2.00 0.00 0.00 34.13 33.75 1r4y s GLU 130 CO 0.00 -0.24 -0.01 -0.51 -0.56 0.00 0.00 175.26 173.95 1r4y s LEU 131 N -4.76 3.44 0.27 2.70 1.43 -1.26 -4.01 118.68 116.49 1r4y s LEU 131 Ca 0.48 -0.13 -0.13 0.00 -1.03 0.00 0.00 54.13 53.32 1r4y s LEU 131 Cb -0.10 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.01 1r4y s LEU 131 CO 0.45 0.21 0.53 -1.59 0.23 0.00 0.00 176.35 176.19 1r4y s LYS 132 N -2.03 1.66 0.12 1.70 -2.85 -1.08 -4.96 119.74 112.30 1r4y s LYS 132 Ca 0.23 -1.28 -0.28 0.00 -1.00 0.00 0.00 55.97 53.65 1r4y s LYS 132 Cb -0.12 0.50 -0.06 0.00 -2.06 0.00 0.00 37.83 36.09 1r4y s LYS 132 CO 0.15 -0.71 0.86 -1.17 0.10 0.00 0.00 175.35 174.58 1r4y s LEU 133 N -3.03 4.52 0.00 2.77 2.96 -1.26 -1.94 118.68 122.69 1r4y s LEU 133 Ca 0.21 1.68 -0.16 0.00 -0.22 0.00 0.00 54.13 55.64 1r4y s LEU 133 Cb -0.02 -3.42 0.24 0.00 0.50 0.00 0.00 46.19 43.49 1r4y s LEU 133 CO 0.10 0.04 0.77 0.00 -1.32 0.00 0.00 176.35 175.93 1r4y s SER 135 N -3.46 -0.95 0.00 0.00 0.01 -0.90 -4.87 113.70 103.53 1r4y s SER 135 Ca 0.52 1.46 0.00 0.00 1.31 0.00 0.00 55.95 59.24 1r4y s SER 135 Cb -0.06 1.76 0.00 0.00 0.21 0.00 0.00 66.02 67.93 1r4y s SER 135 CO 0.41 -0.23 0.15 1.41 0.41 0.00 0.00 173.24 175.39