#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d9y h TRP 2 N 0.00 0.73 -0.50 7.33 4.06 -2.01 -2.25 115.95 123.32 3d9y h TRP 2 Ca 0.00 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.89 3d9y h TRP 2 Cb 0.00 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 27.89 3d9y h TRP 2 CO 0.00 0.50 0.06 0.37 -3.56 0.00 0.00 178.44 175.81 3d9y h GLN 3 N 0.77 0.79 -0.42 0.49 5.75 -1.95 -2.40 115.11 118.14 3d9y h GLN 3 Ca 0.20 -0.18 -0.06 0.00 -0.15 0.00 0.00 58.65 58.46 3d9y h GLN 3 Cb -0.02 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.40 3d9y h GLN 3 CO -0.04 0.75 0.03 0.00 -2.65 0.00 0.00 178.83 176.92 3d9y h ALA 4 N 1.32 1.26 -0.97 3.38 0.00 -1.84 0.14 119.26 122.55 3d9y h ALA 4 Ca 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3d9y h ALA 4 Cb 0.36 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3d9y h ALA 4 CO 0.01 0.50 0.60 1.88 0.00 0.00 0.00 179.25 182.24 3d9y h TYR 5 N 0.64 1.26 0.31 0.00 0.05 -1.09 0.16 116.97 118.29 3d9y h TYR 5 Ca 0.13 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.91 3d9y h TYR 5 Cb 0.36 -0.42 0.00 0.00 1.01 0.00 0.00 36.73 37.69 3d9y h TYR 5 CO 0.02 0.82 -0.15 0.28 -1.05 0.00 0.00 178.16 178.08 3d9y h VAL 6 N 1.33 0.46 -0.08 -2.88 2.07 -1.13 -0.08 116.25 115.94 3d9y h VAL 6 Ca 0.35 -0.79 -0.19 0.00 0.82 0.00 0.00 66.70 66.89 3d9y h VAL 6 Cb -0.09 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3d9y h VAL 6 CO -0.07 0.11 -0.75 0.44 0.02 0.00 0.00 177.57 177.31 3d9y h ASP 7 N -0.97 0.52 0.00 0.57 3.32 -0.68 0.23 116.42 119.41 3d9y h ASP 7 Ca -0.04 -0.35 -0.26 0.00 0.02 0.00 0.00 57.03 56.39 3d9y h ASP 7 Cb 0.49 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 3d9y h ASP 7 CO 0.07 1.10 -1.84 0.41 -1.72 0.00 0.00 179.24 177.26 3d9y n THR 8 N -3.84 1.42 -0.12 0.35 -1.04 0.50 -2.88 114.28 108.68 3d9y n THR 8 Ca -0.05 -0.16 -0.13 0.00 -2.04 0.00 0.00 64.05 61.68 3d9y n THR 8 Cb 0.72 -2.01 -0.03 0.00 -1.82 0.00 0.00 70.33 67.19 3d9y n THR 8 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3d9y h SER 9 N -0.91 0.93 0.00 8.00 0.02 -1.23 -1.54 113.55 118.81 3d9y h SER 9 Ca -0.40 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.09 3d9y h SER 9 Cb 1.31 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.59 3d9y h SER 9 CO -0.24 1.20 -0.40 0.18 -1.14 0.00 0.00 176.83 176.43 3d9y n LEU 10 N -4.13 1.31 0.22 5.07 4.77 -0.06 -4.35 117.00 119.83 3d9y n LEU 10 Ca -0.02 0.50 0.07 0.00 -0.03 0.00 0.00 56.01 56.53 3d9y n LEU 10 Cb 0.51 -0.76 0.49 0.00 -2.33 0.00 0.00 43.42 41.33 3d9y n LEU 10 CO 0.47 -0.47 0.81 -0.07 -1.33 0.00 0.00 177.39 176.80 3d9y h LEU 11 N -0.72 0.00 -0.44 2.23 4.07 -1.08 -2.63 115.31 116.74 3d9y h LEU 11 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3d9y h LEU 11 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.14 3d9y h LEU 11 CO 0.00 0.27 0.00 0.61 -1.08 0.00 0.00 178.44 178.24 3d9y n GLY 12 N -0.36 -1.03 0.27 0.83 0.00 -0.58 -2.06 105.19 102.26 3d9y n GLY 12 Ca -0.01 0.04 0.17 0.00 0.00 0.00 0.00 46.02 46.21 3d9y n GLY 12 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3d9y h THR 13 N 0.00 0.00 0.00 2.61 1.35 -1.61 -3.47 112.91 111.79 3d9y h THR 13 Ca 0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 3d9y h THR 13 Cb 0.23 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3d9y h THR 13 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3d9y n GLY 14 N 0.08 0.47 0.00 5.82 0.00 -0.87 -4.83 105.19 105.86 3d9y n GLY 14 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3d9y n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d9y n LYS 15 N -1.75 2.22 -4.35 1.61 5.02 -1.26 -4.93 118.16 114.71 3d9y n LYS 15 Ca 0.00 -0.04 -0.32 0.00 -2.02 0.00 0.00 58.31 55.93 3d9y n LYS 15 Cb 0.09 -1.02 -0.16 0.00 -0.02 0.00 0.00 35.03 33.92 3d9y n LYS 15 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3d9y s ILE 16 N -2.13 2.00 -0.05 -0.18 1.01 -1.26 -4.49 121.20 116.10 3d9y s ILE 16 Ca -0.00 -0.92 0.22 0.00 0.00 0.00 0.00 60.65 59.94 3d9y s ILE 16 Cb 0.05 -1.80 -0.31 0.00 0.01 0.00 0.00 42.46 40.41 3d9y s ILE 16 CO 0.30 0.53 0.52 -0.90 0.00 0.00 0.00 174.94 175.39 3d9y n ASP 17 N 4.39 0.07 -3.90 3.58 3.85 -0.68 -4.27 116.55 119.61 3d9y n ASP 17 Ca -0.20 0.03 -0.11 0.00 -0.71 0.00 0.00 54.79 53.80 3d9y n ASP 17 Cb 0.51 1.85 -0.11 0.00 -1.35 0.00 0.00 41.12 42.02 3d9y n ASP 17 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3d9y s ARG 18 N -3.49 0.32 0.11 0.11 0.52 -1.23 -5.02 118.95 110.27 3d9y s ARG 18 Ca -0.07 -0.31 -0.24 0.00 -0.52 0.00 0.00 55.73 54.59 3d9y s ARG 18 Cb 0.13 0.13 0.07 0.00 0.52 0.00 0.00 34.95 35.80 3d9y s ARG 18 CO 0.90 -0.06 0.60 0.00 0.02 0.00 0.00 175.30 176.76 3d9y s ALA 19 N -0.98 -1.58 0.08 2.13 0.00 -1.26 -0.29 121.76 119.86 3d9y s ALA 19 Ca -0.11 0.63 -0.12 0.00 0.00 0.00 0.00 51.96 52.36 3d9y s ALA 19 Cb -0.06 0.68 0.01 0.00 0.00 0.00 0.00 23.12 23.75 3d9y s ALA 19 CO 0.00 -0.67 0.27 0.00 0.00 0.00 0.00 175.76 175.36 3d9y s ALA 20 N -3.18 -0.53 -0.13 0.00 0.00 -0.23 -0.72 121.76 116.98 3d9y s ALA 20 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3d9y s ALA 20 Cb -0.01 0.48 0.02 0.00 0.00 0.00 0.00 23.12 23.61 3d9y s ALA 20 CO -0.08 -0.51 -0.13 0.42 0.00 0.00 0.00 175.76 175.47 3d9y s ILE 21 N -3.40 1.42 0.12 0.00 1.01 0.10 -0.96 121.20 119.49 3d9y s ILE 21 Ca 0.01 -0.55 0.09 0.00 0.00 0.00 0.00 60.65 60.19 3d9y s ILE 21 Cb 0.02 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 3d9y s ILE 21 CO -0.09 0.43 -0.21 0.68 0.00 0.00 0.00 174.94 175.76 3d9y s VAL 22 N 1.41 1.81 0.34 2.92 -7.23 -0.47 -0.18 120.40 119.01 3d9y s VAL 22 Ca 0.02 -1.68 -0.29 0.00 -1.81 0.00 0.00 61.98 58.23 3d9y s VAL 22 Cb -0.13 -1.69 -0.11 0.00 0.56 0.00 0.00 36.38 35.01 3d9y s VAL 22 CO -0.08 -0.12 1.46 -0.55 -0.31 0.00 0.00 175.10 175.51 3d9y s SER 23 N -2.14 6.46 0.54 4.85 0.15 -0.16 -0.26 113.70 123.14 3d9y s SER 23 Ca 0.10 2.93 0.24 0.00 0.70 0.00 0.00 55.95 59.92 3d9y s SER 23 Cb -0.09 -2.66 1.43 0.00 -1.71 0.00 0.00 66.02 62.99 3d9y s SER 23 CO 0.05 -0.80 2.05 -0.09 1.20 0.00 0.00 173.24 175.66 3d9y h ARG 24 N 3.56 0.00 0.00 5.44 1.12 -1.54 -0.64 114.38 122.31 3d9y h ARG 24 Ca -0.49 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.38 3d9y h ARG 24 Cb 1.23 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.19 3d9y h ARG 24 CO 0.68 0.00 0.00 0.00 -3.11 0.00 0.00 179.97 177.54 3d9y n ALA 25 N -2.54 2.14 -1.59 2.80 0.00 -1.26 -4.76 120.51 115.29 3d9y n ALA 25 Ca 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 3d9y n ALA 25 Cb 0.42 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 3d9y n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d9y n GLY 26 N 1.05 0.43 0.01 0.00 0.00 -0.25 -4.94 105.19 101.50 3d9y n GLY 26 Ca 0.06 -0.84 0.09 0.00 0.00 0.00 0.00 46.02 45.33 3d9y n GLY 26 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d9y n ASP 27 N 1.44 0.41 -3.43 1.61 5.75 -1.26 -3.64 116.55 117.43 3d9y n ASP 27 Ca -0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.62 3d9y n ASP 27 Cb 0.32 1.87 -0.02 0.00 -1.03 0.00 0.00 41.12 42.26 3d9y n ASP 27 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3d9y s SER 28 N -4.36 -0.57 -0.26 -1.12 1.04 -1.26 -5.05 113.70 102.13 3d9y s SER 28 Ca -0.07 0.07 -0.10 0.00 0.48 0.00 0.00 55.95 56.33 3d9y s SER 28 Cb 0.13 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.78 3d9y s SER 28 CO 0.83 -0.92 0.15 -0.69 0.98 0.00 0.00 173.24 173.59 3d9y s VAL 29 N -3.46 5.07 0.01 5.02 1.01 -1.26 -0.99 120.40 125.80 3d9y s VAL 29 Ca 0.00 0.08 0.11 0.00 0.00 0.00 0.00 61.98 62.17 3d9y s VAL 29 Cb -0.01 -3.38 -0.17 0.00 0.00 0.00 0.00 36.38 32.82 3d9y s VAL 29 CO -0.11 0.31 1.07 -0.50 0.00 0.00 0.00 175.10 175.87 3d9y h TRP 30 N 7.99 0.00 -1.90 5.22 6.55 -0.92 -3.48 115.95 129.41 3d9y h TRP 30 Ca -0.37 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.47 3d9y h TRP 30 Cb 1.18 0.00 -0.20 0.00 -0.86 0.00 0.00 29.16 29.28 3d9y h TRP 30 CO 0.70 0.89 0.33 0.00 -1.05 0.00 0.00 178.44 179.32 3d9y s ALA 31 N -2.73 -1.82 -0.02 1.49 0.00 -1.15 -4.64 121.76 112.89 3d9y s ALA 31 Ca -0.01 1.36 -0.20 0.00 0.00 0.00 0.00 51.96 53.11 3d9y s ALA 31 Cb 0.09 -0.19 0.04 0.00 0.00 0.00 0.00 23.12 23.05 3d9y s ALA 31 CO 0.81 -0.38 0.44 0.00 0.00 0.00 0.00 175.76 176.63 3d9y s ALA 32 N -1.37 -1.13 0.70 0.00 0.00 -1.26 -0.73 121.76 117.97 3d9y s ALA 32 Ca -0.06 0.65 -0.12 0.00 0.00 0.00 0.00 51.96 52.43 3d9y s ALA 32 Cb -0.00 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.21 3d9y s ALA 32 CO 0.05 -0.31 1.08 -1.54 0.00 0.00 0.00 175.76 175.03 3d9y s SER 33 N -1.35 5.11 -0.02 0.00 1.04 0.11 -4.90 113.70 113.69 3d9y s SER 33 Ca -0.12 1.76 -0.34 0.00 0.48 0.00 0.00 55.95 57.73 3d9y s SER 33 Cb -0.03 -2.52 -0.12 0.00 0.10 0.00 0.00 66.02 63.45 3d9y s SER 33 CO 0.06 -1.63 1.80 0.00 0.98 0.00 0.00 173.24 174.44 3d9y n ALA 34 N -3.03 1.00 -0.95 5.32 0.00 -1.26 -1.36 120.51 120.23 3d9y n ALA 34 Ca 0.09 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3d9y n ALA 34 Cb 0.53 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.52 3d9y n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d9y n GLY 35 N 4.13 0.60 3.41 0.00 0.00 -1.26 -4.95 105.19 107.11 3d9y n GLY 35 Ca 0.21 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.78 3d9y n GLY 35 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3d9y s PHE 36 N -2.59 3.41 -0.42 1.61 5.36 -0.46 -4.99 117.98 119.89 3d9y s PHE 36 Ca 0.00 -1.72 -0.13 0.00 -0.96 0.00 0.00 56.93 54.12 3d9y s PHE 36 Cb 0.00 -4.13 0.05 0.00 -0.34 0.00 0.00 43.02 38.61 3d9y s PHE 36 CO 0.00 -1.31 0.30 -0.80 -1.46 0.00 0.00 175.22 171.95 3d9y s ASN 37 N 2.99 5.91 -0.12 6.13 0.01 -1.26 -4.62 114.94 123.98 3d9y s ASN 37 Ca 0.29 -1.22 -0.17 0.00 -0.71 0.00 0.00 52.86 51.05 3d9y s ASN 37 Cb -0.06 -2.09 -0.04 0.00 0.41 0.00 0.00 41.25 39.46 3d9y s ASN 37 CO -0.08 -0.52 0.44 -0.76 -1.51 0.00 0.00 177.10 174.67 3d9y s LEU 38 N 1.57 4.28 0.59 0.60 1.43 -1.26 -4.26 118.68 121.63 3d9y s LEU 38 Ca 0.03 0.77 -0.10 0.00 -1.03 0.00 0.00 54.13 53.80 3d9y s LEU 38 Cb -0.22 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 3d9y s LEU 38 CO 0.06 0.03 0.98 -0.94 0.23 0.00 0.00 176.35 176.71 3d9y s SER 39 N 0.53 6.22 0.26 2.29 1.04 -1.26 -4.87 113.70 117.92 3d9y s SER 39 Ca 0.24 1.31 -0.01 0.00 0.48 0.00 0.00 55.95 57.97 3d9y s SER 39 Cb -0.15 -2.41 0.55 0.00 0.10 0.00 0.00 66.02 64.11 3d9y s SER 39 CO 0.09 -0.81 1.74 -0.65 0.98 0.00 0.00 173.24 174.59 3d9y h PRO 40 N -0.21 0.50 -0.47 4.02 0.11 -1.98 -0.39 132.00 133.59 3d9y h PRO 40 Ca -0.45 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 3d9y h PRO 40 Cb 1.19 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3d9y h PRO 40 CO 0.62 0.33 -0.02 1.96 -0.21 0.00 0.00 178.00 180.68 3d9y h GLN 41 N 0.52 0.85 -0.33 1.05 7.50 -1.95 -1.62 115.11 121.13 3d9y h GLN 41 Ca 0.47 -0.28 -0.02 0.00 0.50 0.00 0.00 58.65 59.32 3d9y h GLN 41 Cb 0.74 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.18 3d9y h GLN 41 CO -0.41 0.91 0.12 0.93 -1.50 0.00 0.00 178.83 178.88 3d9y h GLU 42 N 0.70 0.49 -0.18 1.46 5.08 -1.65 -1.70 114.58 118.79 3d9y h GLU 42 Ca 0.13 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 3d9y h GLU 42 Cb 0.54 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3d9y h GLU 42 CO 0.03 0.50 -0.41 -0.84 -1.00 0.00 0.00 179.01 177.28 3d9y h ILE 43 N 0.38 1.31 -0.46 3.13 3.07 -1.08 -1.21 117.51 122.65 3d9y h ILE 43 Ca 0.11 -1.57 0.01 0.00 1.55 0.00 0.00 64.86 64.96 3d9y h ILE 43 Cb 0.20 1.63 -0.03 0.00 -0.27 0.00 0.00 36.82 38.35 3d9y h ILE 43 CO -0.01 0.48 0.29 -0.61 -1.05 0.00 0.00 178.15 177.26 3d9y h GLN 44 N 0.34 0.58 -0.58 0.16 -0.00 -1.22 -1.05 115.11 113.33 3d9y h GLN 44 Ca 0.03 -0.03 -0.09 0.00 -0.00 0.00 0.00 58.65 58.55 3d9y h GLN 44 Cb 0.87 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 28.20 3d9y h GLN 44 CO 0.07 0.38 0.01 0.78 0.00 0.00 0.00 178.83 180.08 3d9y h GLY 45 N 0.60 1.09 0.76 2.39 0.00 -0.99 -0.84 103.07 106.09 3d9y h GLY 45 Ca 0.18 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 3d9y h GLY 45 CO -0.06 0.71 0.01 -2.00 0.00 0.00 0.00 176.54 175.20 3d9y h LEU 46 N 0.93 0.06 -0.86 3.11 5.85 -1.13 -1.27 115.31 122.00 3d9y h LEU 46 Ca 0.17 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.71 3d9y h LEU 46 Cb 0.52 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 3d9y h LEU 46 CO 0.03 0.30 0.52 0.00 -0.34 0.00 0.00 178.44 178.95 3d9y h ALA 47 N 0.76 1.21 -0.46 1.25 0.00 -1.00 -1.02 119.26 120.00 3d9y h ALA 47 Ca 0.01 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3d9y h ALA 47 Cb 0.27 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3d9y h ALA 47 CO 0.00 0.21 0.01 0.00 0.00 0.00 0.00 179.25 179.47 3d9y h ALA 48 N 1.44 1.16 -0.72 0.00 0.00 -1.03 -2.78 119.26 117.33 3d9y h ALA 48 Ca 0.39 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3d9y h ALA 48 Cb 0.27 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3d9y h ALA 48 CO -0.21 0.55 0.43 0.78 0.00 0.00 0.00 179.25 180.80 3d9y h GLY 49 N 0.95 1.05 2.00 0.00 0.00 0.03 -2.11 103.07 104.99 3d9y h GLY 49 Ca 0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3d9y h GLY 49 CO 0.02 0.24 -0.04 0.74 0.00 0.00 0.00 176.54 177.50 3d9y h PHE 50 N 0.82 0.00 0.00 5.60 0.04 -1.14 -0.16 116.94 122.10 3d9y h PHE 50 Ca 0.30 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.02 3d9y h PHE 50 Cb 0.10 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 3d9y h PHE 50 CO -0.05 0.04 -0.23 1.96 -0.60 0.00 0.00 178.31 179.43 3d9y h GLN 51 N 0.00 0.00 -0.99 1.51 1.08 -1.34 -3.38 115.11 111.99 3d9y h GLN 51 Ca -0.00 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.83 3d9y h GLN 51 Cb 0.34 0.00 -0.25 0.00 -0.05 0.00 0.00 27.48 27.52 3d9y h GLN 51 CO 0.00 0.23 -0.75 -3.47 -0.95 0.00 0.00 178.83 173.89 3d9y n ASP 52 N -3.38 -1.64 -0.30 1.46 2.03 -0.49 -5.06 116.55 109.17 3d9y n ASP 52 Ca 0.00 -2.98 0.11 0.00 0.52 0.00 0.00 54.79 52.44 3d9y n ASP 52 Cb 0.44 0.74 0.28 0.00 -0.72 0.00 0.00 41.12 41.86 3d9y n ASP 52 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3d9y h PRO 53 N 4.20 0.44 -0.11 -0.67 0.11 -1.27 -1.14 132.00 133.55 3d9y h PRO 53 Ca -0.02 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.09 3d9y h PRO 53 Cb 0.97 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 3d9y h PRO 53 CO 0.35 0.29 0.20 -1.35 -0.21 0.00 0.00 178.00 177.28 3d9y h PRO 54 N 0.45 0.00 0.00 1.05 0.11 -1.84 0.07 132.00 131.84 3d9y h PRO 54 Ca 0.53 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.63 3d9y h PRO 54 Cb 0.94 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3d9y h PRO 54 CO -0.49 0.00 -0.02 0.66 -0.21 0.00 0.00 178.00 177.94 3d9y h SER 55 N 0.00 0.00 0.97 -2.05 4.64 -1.53 -2.80 113.55 112.78 3d9y h SER 55 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3d9y h SER 55 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3d9y h SER 55 CO -0.00 0.02 0.00 0.24 -0.87 0.00 0.00 176.83 176.22 3d9y h MET 56 N 0.00 0.00 -0.68 4.77 2.86 -1.15 -2.89 114.93 117.84 3d9y h MET 56 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3d9y h MET 56 Cb 0.10 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 3d9y h MET 56 CO 0.00 0.00 0.26 0.74 1.06 0.00 0.00 176.91 178.97 3d9y h PHE 57 N 0.00 1.06 -0.30 -0.22 0.04 -1.69 0.19 116.94 116.01 3d9y h PHE 57 Ca 0.00 -0.09 -0.12 0.00 2.80 0.00 0.00 57.97 60.56 3d9y h PHE 57 Cb 0.49 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 3d9y h PHE 57 CO 0.00 0.83 -0.31 0.78 -0.60 0.00 0.00 178.31 179.01 3d9y h GLY 58 N 0.98 0.69 0.99 -1.45 0.00 -1.72 -3.30 103.07 99.26 3d9y h GLY 58 Ca 0.23 -0.63 -0.17 0.00 0.00 0.00 0.00 47.33 46.76 3d9y h GLY 58 CO -0.02 0.57 -1.41 -1.30 0.00 0.00 0.00 176.54 174.39 3d9y n THR 59 N -4.08 1.19 -1.82 4.70 -2.24 -1.16 -5.09 114.28 105.79 3d9y n THR 59 Ca -0.01 -0.69 0.06 0.00 -2.27 0.00 0.00 64.05 61.14 3d9y n THR 59 Cb 0.47 -0.74 -0.01 0.00 -2.10 0.00 0.00 70.33 67.94 3d9y n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d9y n GLY 60 N 1.39 -1.95 3.20 3.38 0.00 0.04 -4.82 105.19 106.43 3d9y n GLY 60 Ca -0.10 -1.33 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 3d9y n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d9y s ILE 61 N -1.05 2.87 -0.33 -0.61 1.01 -0.41 -4.87 121.20 117.80 3d9y s ILE 61 Ca 0.00 -1.04 -0.08 0.00 0.00 0.00 0.00 60.65 59.53 3d9y s ILE 61 Cb 0.00 -2.47 0.03 0.00 0.01 0.00 0.00 42.46 40.03 3d9y s ILE 61 CO 0.00 0.19 0.12 -0.63 0.00 0.00 0.00 174.94 174.62 3d9y s ILE 62 N 1.32 4.04 -0.07 2.92 1.01 -1.26 -0.07 121.20 129.09 3d9y s ILE 62 Ca -0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.67 3d9y s ILE 62 Cb -0.17 -3.22 0.03 0.00 0.01 0.00 0.00 42.46 39.11 3d9y s ILE 62 CO -0.04 -0.11 0.18 -0.76 0.00 0.00 0.00 174.94 174.20 3d9y s LEU 63 N 1.47 0.98 -1.55 2.97 1.02 -0.18 -4.78 118.68 118.62 3d9y s LEU 63 Ca 0.01 0.37 -0.13 0.00 0.02 0.00 0.00 54.13 54.39 3d9y s LEU 63 Cb -0.19 0.56 0.09 0.00 0.02 0.00 0.00 46.19 46.67 3d9y s LEU 63 CO 0.04 -0.11 0.93 0.00 0.02 0.00 0.00 176.35 177.23 3d9y n ALA 64 N 3.58 -1.34 -0.67 4.21 0.00 -1.26 -2.18 120.51 122.85 3d9y n ALA 64 Ca -0.19 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3d9y n ALA 64 Cb 0.56 -4.13 0.00 0.00 0.00 0.00 0.00 19.45 15.87 3d9y n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d9y n GLY 65 N -1.65 1.19 3.29 0.00 0.00 -1.26 -5.02 105.19 101.73 3d9y n GLY 65 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 3d9y n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d9y s GLN 66 N -0.18 1.13 -0.20 1.61 -0.21 -0.93 -5.13 119.66 115.75 3d9y s GLN 66 Ca 0.00 -1.23 -0.07 0.00 0.02 0.00 0.00 55.36 54.09 3d9y s GLN 66 Cb 0.00 -1.28 -0.03 0.00 1.00 0.00 0.00 33.01 32.70 3d9y s GLN 66 CO 0.00 0.28 0.05 0.21 -2.12 0.00 0.00 175.29 173.71 3d9y s LYS 67 N -2.23 3.80 -0.06 2.91 2.20 -1.26 -1.01 119.74 124.09 3d9y s LYS 67 Ca 0.09 -0.43 -0.11 0.00 -0.36 0.00 0.00 55.97 55.16 3d9y s LYS 67 Cb -0.08 -3.20 -0.05 0.00 -1.51 0.00 0.00 37.83 32.99 3d9y s LYS 67 CO 0.05 0.10 0.27 0.71 -0.36 0.00 0.00 175.35 176.12 3d9y s TYR 68 N 0.83 3.66 -0.07 4.03 2.02 0.91 -4.87 117.35 123.85 3d9y s TYR 68 Ca 0.03 0.76 -0.30 0.00 -0.37 0.00 0.00 57.07 57.19 3d9y s TYR 68 Cb -0.14 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.26 3d9y s TYR 68 CO 0.02 0.68 1.42 0.42 -1.57 0.00 0.00 175.55 176.52 3d9y s ILE 69 N -1.00 3.87 0.08 2.71 1.09 0.15 -1.29 121.20 126.81 3d9y s ILE 69 Ca 0.19 1.14 -0.31 0.00 -1.10 0.00 0.00 60.65 60.57 3d9y s ILE 69 Cb -0.14 -3.74 -0.07 0.00 -1.06 0.00 0.00 42.46 37.45 3d9y s ILE 69 CO 0.08 -0.06 1.37 -0.89 -0.10 0.00 0.00 174.94 175.34 3d9y s THR 70 N 3.22 3.50 0.00 2.92 2.01 -1.26 -0.45 115.64 125.59 3d9y s THR 70 Ca 0.63 1.04 0.00 0.00 0.31 0.00 0.00 61.69 63.67 3d9y s THR 70 Cb -0.29 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.56 3d9y s THR 70 CO 0.23 0.06 0.14 2.30 -0.69 0.00 0.00 174.62 176.66 3d9y n ILE 71 N 4.13 0.00 -3.69 1.82 -5.35 -0.03 -4.92 119.36 111.32 3d9y n ILE 71 Ca 0.12 -0.42 -0.11 0.00 -0.27 0.00 0.00 62.75 62.07 3d9y n ILE 71 Cb 0.43 1.05 -0.10 0.00 -1.74 0.00 0.00 39.64 39.29 3d9y n ILE 71 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3d9y s ARG 72 N -0.56 0.51 -0.40 6.28 3.52 -1.10 -4.96 118.95 122.25 3d9y s ARG 72 Ca 0.00 0.82 0.07 0.00 -0.13 0.00 0.00 55.73 56.49 3d9y s ARG 72 Cb 0.00 0.12 0.18 0.00 -1.56 0.00 0.00 34.95 33.69 3d9y s ARG 72 CO 0.00 -0.12 0.61 0.00 -0.81 0.00 0.00 175.30 174.97 3d9y s ALA 73 N 1.00 -2.22 -0.24 6.12 0.00 -1.24 -0.54 121.76 124.64 3d9y s ALA 73 Ca -0.06 0.19 -0.22 0.00 0.00 0.00 0.00 51.96 51.87 3d9y s ALA 73 Cb -0.06 -2.67 0.06 0.00 0.00 0.00 0.00 23.12 20.46 3d9y s ALA 73 CO -0.09 -2.18 0.64 -2.00 0.00 0.00 0.00 175.76 172.13 3d9y s GLU 74 N 1.90 0.75 7.86 0.00 -6.30 -0.55 -3.55 118.70 118.80 3d9y s GLU 74 Ca 0.16 0.88 0.00 0.00 -2.50 0.00 0.00 54.97 53.50 3d9y s GLU 74 Cb -0.05 0.37 0.00 0.00 0.00 0.00 0.00 34.13 34.44 3d9y s GLU 74 CO -0.08 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.51 3d9y n GLY 75 N 2.71 3.84 1.14 -1.50 0.00 -1.26 -1.84 105.19 108.28 3d9y n GLY 75 Ca -0.14 0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.03 3d9y n GLY 75 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3d9y n ARG 76 N 12.67 3.23 -4.31 1.61 1.85 -1.26 -4.85 116.66 125.60 3d9y n ARG 76 Ca 0.00 -2.60 -0.29 0.00 -1.00 0.00 0.00 57.85 53.96 3d9y n ARG 76 Cb 0.00 -1.66 -0.17 0.00 -1.05 0.00 0.00 32.46 29.58 3d9y n ARG 76 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 3d9y s SER 77 N -1.14 2.45 -0.17 2.89 0.01 -0.77 -1.07 113.70 115.91 3d9y s SER 77 Ca 0.41 -0.43 -0.02 0.00 1.31 0.00 0.00 55.95 57.22 3d9y s SER 77 Cb 0.26 -1.08 0.05 0.00 0.21 0.00 0.00 66.02 65.46 3d9y s SER 77 CO 0.20 -0.01 0.01 -0.63 0.41 0.00 0.00 173.24 173.22 3d9y s ILE 78 N 1.16 0.60 0.07 1.44 1.01 -0.22 -1.49 121.20 123.76 3d9y s ILE 78 Ca -0.03 -0.45 0.08 0.00 0.00 0.00 0.00 60.65 60.26 3d9y s ILE 78 Cb -0.14 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 3d9y s ILE 78 CO -0.04 -0.06 -0.21 -0.31 0.00 0.00 0.00 174.94 174.32 3d9y s TYR 79 N 1.84 2.47 0.09 3.97 2.02 0.30 -0.67 117.35 127.37 3d9y s TYR 79 Ca 0.00 -0.31 -0.01 0.00 -0.37 0.00 0.00 57.07 56.39 3d9y s TYR 79 Cb -0.16 -1.40 -0.04 0.00 -0.40 0.00 0.00 41.96 39.96 3d9y s TYR 79 CO -0.07 0.27 0.01 0.20 -1.57 0.00 0.00 175.55 174.39 3d9y s GLY 80 N -1.62 0.72 0.01 0.71 0.00 0.11 -0.85 107.32 106.40 3d9y s GLY 80 Ca 0.15 -1.34 0.03 0.00 0.00 0.00 0.00 44.72 43.56 3d9y s GLY 80 CO 0.06 -1.34 -0.10 1.25 0.00 0.00 0.00 173.10 172.97 3d9y s LYS 81 N -3.98 0.78 -0.26 2.90 2.47 0.41 -1.30 119.74 120.75 3d9y s LYS 81 Ca 0.15 -0.46 -0.03 0.00 -1.56 0.00 0.00 55.97 54.07 3d9y s LYS 81 Cb 0.08 -0.74 0.09 0.00 -1.46 0.00 0.00 37.83 35.79 3d9y s LYS 81 CO -0.04 0.20 0.10 -1.17 0.16 0.00 0.00 175.35 174.60 3d9y s LEU 82 N -0.53 0.89 0.00 5.43 2.96 0.04 -0.67 118.68 126.80 3d9y s LEU 82 Ca 0.02 -1.16 0.00 0.00 -0.22 0.00 0.00 54.13 52.77 3d9y s LEU 82 Cb -0.05 -0.45 0.00 0.00 0.50 0.00 0.00 46.19 46.19 3d9y s LEU 82 CO 0.00 -0.40 0.00 0.00 -1.32 0.00 0.00 176.35 174.63 3d9y n GLN 83 N 5.16 0.00 0.00 1.98 6.02 -1.26 -1.05 117.38 128.23 3d9y n GLN 83 Ca -0.06 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.06 3d9y n GLN 83 Cb 0.44 0.00 0.36 0.00 1.02 0.00 0.00 30.24 32.06 3d9y n GLN 83 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3d9y n LYS 84 N 13.32 1.10 -3.12 -1.09 4.01 -1.26 -4.89 118.16 126.23 3d9y n LYS 84 Ca 0.00 -0.69 -0.19 0.00 -0.51 0.00 0.00 58.31 56.92 3d9y n LYS 84 Cb 0.00 -1.49 0.02 0.00 -0.51 0.00 0.00 35.03 33.05 3d9y n LYS 84 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 3d9y s GLU 85 N -2.37 2.61 0.36 1.97 2.02 -0.22 -3.91 118.70 119.17 3d9y s GLU 85 Ca 0.27 -1.43 -0.16 0.00 0.02 0.00 0.00 54.97 53.66 3d9y s GLU 85 Cb 0.20 -2.65 0.06 0.00 0.10 0.00 0.00 34.13 31.83 3d9y s GLU 85 CO 0.48 -0.45 0.82 0.20 0.02 0.00 0.00 175.26 176.32 3d9y s GLY 86 N -4.42 0.34 -0.02 -1.39 0.00 -0.88 -0.78 107.32 100.17 3d9y s GLY 86 Ca 0.55 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.58 3d9y s GLY 86 CO 0.34 -0.02 -0.03 -1.50 0.00 0.00 0.00 173.10 171.88 3d9y s ILE 87 N -2.31 0.32 -0.18 0.90 1.10 -0.42 -1.53 121.20 119.08 3d9y s ILE 87 Ca 0.16 -0.10 0.01 0.00 -0.51 0.00 0.00 60.65 60.21 3d9y s ILE 87 Cb -0.05 -0.32 0.03 0.00 0.15 0.00 0.00 42.46 42.27 3d9y s ILE 87 CO 0.11 0.13 -0.16 -0.63 -2.11 0.00 0.00 174.94 172.27 3d9y s ILE 88 N 0.34 1.88 -0.14 2.00 -1.09 0.24 -0.71 121.20 123.73 3d9y s ILE 88 Ca -0.04 -0.95 0.01 0.00 -2.23 0.00 0.00 60.65 57.45 3d9y s ILE 88 Cb -0.07 -1.79 -0.00 0.00 -1.58 0.00 0.00 42.46 39.02 3d9y s ILE 88 CO -0.01 0.40 -0.18 0.00 -1.23 0.00 0.00 174.94 173.93 3d9y s VAL 90 N 0.64 0.48 -0.08 0.00 1.01 -0.21 -1.06 120.40 121.18 3d9y s VAL 90 Ca -0.09 -0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 3d9y s VAL 90 Cb -0.16 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 3d9y s VAL 90 CO 0.02 0.21 0.30 0.00 0.00 0.00 0.00 175.10 175.64 3d9y s ALA 91 N 0.86 3.71 0.00 5.51 0.00 -0.23 -0.12 121.76 131.49 3d9y s ALA 91 Ca -0.11 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3d9y s ALA 91 Cb -0.14 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.70 3d9y s ALA 91 CO 0.00 0.40 0.00 0.25 0.00 0.00 0.00 175.76 176.41 3d9y n THR 92 N 2.41 0.00 -0.25 0.00 -2.24 0.69 -4.88 114.28 110.01 3d9y n THR 92 Ca -0.15 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.57 3d9y n THR 92 Cb 0.53 -0.56 0.05 0.00 -2.10 0.00 0.00 70.33 68.25 3d9y n THR 92 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3d9y h LYS 93 N 0.00 1.01 0.00 -0.78 1.57 -1.84 -3.36 116.57 113.16 3d9y h LYS 93 Ca 0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3d9y h LYS 93 Cb 0.00 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.13 3d9y h LYS 93 CO 0.00 0.79 -1.09 1.28 -0.57 0.00 0.00 179.45 179.86 3d9y n LEU 94 N -4.44 0.02 -4.26 2.94 4.77 -0.38 -4.92 117.00 110.72 3d9y n LEU 94 Ca 0.06 -0.05 -0.16 0.00 -0.03 0.00 0.00 56.01 55.83 3d9y n LEU 94 Cb 0.13 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.13 3d9y n LEU 94 CO 0.39 0.00 -0.19 0.00 -1.33 0.00 0.00 177.39 176.26 3d9y s ILE 96 N -3.80 1.45 -0.10 0.00 1.01 0.64 -0.22 121.20 120.18 3d9y s ILE 96 Ca 0.39 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 60.22 3d9y s ILE 96 Cb 0.05 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 3d9y s ILE 96 CO 0.18 0.43 0.51 -0.76 0.00 0.00 0.00 174.94 175.30 3d9y s LEU 97 N 0.82 4.30 -0.24 2.97 1.43 0.83 -1.37 118.68 127.43 3d9y s LEU 97 Ca -0.10 0.89 0.02 0.00 -1.03 0.00 0.00 54.13 53.91 3d9y s LEU 97 Cb -0.16 -2.75 0.05 0.00 0.03 0.00 0.00 46.19 43.37 3d9y s LEU 97 CO 0.01 0.01 -0.11 -0.69 0.23 0.00 0.00 176.35 175.81 3d9y s VAL 98 N 0.48 2.01 -0.17 -1.59 1.01 -0.13 -1.04 120.40 120.97 3d9y s VAL 98 Ca 0.28 -1.44 -0.00 0.00 0.00 0.00 0.00 61.98 60.81 3d9y s VAL 98 Cb -0.16 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 3d9y s VAL 98 CO 0.12 0.04 -0.14 -0.44 0.00 0.00 0.00 175.10 174.68 3d9y s SER 99 N 1.19 3.75 -0.05 3.32 0.01 0.09 -1.06 113.70 120.95 3d9y s SER 99 Ca -0.06 -0.46 -0.09 0.00 1.31 0.00 0.00 55.95 56.65 3d9y s SER 99 Cb -0.19 -1.59 -0.05 0.00 0.21 0.00 0.00 66.02 64.41 3d9y s SER 99 CO -0.06 0.06 0.25 -2.28 0.41 0.00 0.00 173.24 171.62 3d9y s HIS 100 N 0.94 3.63 0.02 2.43 2.46 0.60 -0.59 115.29 124.78 3d9y s HIS 100 Ca -0.03 0.68 0.05 0.00 0.47 0.00 0.00 55.06 56.23 3d9y s HIS 100 Cb -0.15 -2.06 -0.02 0.00 -0.13 0.00 0.00 32.58 30.22 3d9y s HIS 100 CO -0.02 0.68 -0.14 1.52 -2.47 0.00 0.00 174.74 174.31 3d9y s TYR 101 N -1.11 1.27 0.81 3.88 -0.85 -0.58 -1.68 117.35 119.08 3d9y s TYR 101 Ca 0.21 -0.32 -0.10 0.00 -0.52 0.00 0.00 57.07 56.34 3d9y s TYR 101 Cb -0.14 -0.77 0.11 0.00 0.38 0.00 0.00 41.96 41.54 3d9y s TYR 101 CO 0.10 0.02 1.15 -1.25 -1.52 0.00 0.00 175.55 174.05 3d9y s PRO 102 N -0.90 1.70 0.63 -3.49 0.04 -1.26 -2.07 135.00 129.65 3d9y s PRO 102 Ca 0.03 -0.23 0.38 0.00 0.04 0.00 0.00 61.00 61.22 3d9y s PRO 102 Cb -0.07 -2.02 2.14 0.00 0.04 0.00 0.00 34.50 34.58 3d9y s PRO 102 CO 0.01 -1.67 2.32 1.05 0.04 0.00 0.00 177.00 178.74 3d9y h GLU 103 N -1.01 0.00 0.00 4.56 4.11 -1.96 -2.24 114.58 118.04 3d9y h GLU 103 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 3d9y h GLU 103 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3d9y h GLU 103 CO 0.55 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.64 3d9y h THR 104 N 0.00 0.00 -3.42 -1.06 1.03 -1.93 -3.45 112.91 104.07 3d9y h THR 104 Ca -0.00 -0.40 -0.67 0.00 -0.01 0.00 0.00 66.41 65.33 3d9y h THR 104 Cb 0.01 1.28 -0.15 0.00 -1.07 0.00 0.00 68.15 68.23 3d9y h THR 104 CO 0.00 0.00 -0.66 0.28 -0.01 0.00 0.00 175.52 175.13 3d9y s THR 105 N -3.49 4.03 0.04 0.00 -1.32 -0.84 -5.08 115.64 108.98 3d9y s THR 105 Ca 0.03 -0.64 -0.31 0.00 -1.21 0.00 0.00 61.69 59.56 3d9y s THR 105 Cb 0.09 -2.79 -0.06 0.00 -1.51 0.00 0.00 72.50 68.23 3d9y s THR 105 CO 0.48 0.38 1.38 -0.76 -2.21 0.00 0.00 174.62 173.90 3d9y s LEU 106 N -1.52 4.34 0.35 9.08 1.43 -1.26 -4.89 118.68 126.21 3d9y s LEU 106 Ca 0.19 2.18 0.13 0.00 -1.03 0.00 0.00 54.13 55.60 3d9y s LEU 106 Cb -0.11 -3.57 0.97 0.00 0.03 0.00 0.00 46.19 43.51 3d9y s LEU 106 CO 0.09 -0.68 1.74 -0.65 0.23 0.00 0.00 176.35 177.08 3d9y h PRO 107 N 7.42 0.49 -0.26 1.29 0.11 -1.96 0.18 132.00 139.26 3d9y h PRO 107 Ca -0.40 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.70 3d9y h PRO 107 Cb 1.19 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3d9y h PRO 107 CO 0.88 0.32 0.18 0.78 -0.21 0.00 0.00 178.00 179.95 3d9y h GLY 108 N 0.50 0.31 1.13 -0.55 0.00 -1.99 -1.12 103.07 101.35 3d9y h GLY 108 Ca 0.64 -0.11 -0.31 0.00 0.00 0.00 0.00 47.33 47.55 3d9y h GLY 108 CO -0.42 0.10 -1.34 1.05 0.00 0.00 0.00 176.54 175.93 3d9y h GLU 109 N 0.29 0.49 -0.74 4.80 4.11 -1.04 -1.47 114.58 121.01 3d9y h GLU 109 Ca 0.10 -0.84 0.04 0.00 0.07 0.00 0.00 59.36 58.73 3d9y h GLU 109 Cb 0.07 0.31 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 3d9y h GLU 109 CO -0.02 1.40 0.46 0.00 0.07 0.00 0.00 179.01 180.92 3d9y h ALA 110 N 0.14 0.98 -0.15 1.06 0.00 -1.28 -1.45 119.26 118.54 3d9y h ALA 110 Ca -0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3d9y h ALA 110 Cb 2.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 3d9y h ALA 110 CO 0.25 0.24 0.06 0.00 0.00 0.00 0.00 179.25 179.80 3d9y h ALA 111 N 1.32 0.20 -0.81 0.00 0.00 -1.23 -2.11 119.26 116.63 3d9y h ALA 111 Ca 0.30 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.17 3d9y h ALA 111 Cb 0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3d9y h ALA 111 CO -0.12 -0.22 0.50 -0.22 0.00 0.00 0.00 179.25 179.19 3d9y h LYS 112 N 0.10 0.90 -0.20 0.00 1.63 -1.02 0.64 116.57 118.62 3d9y h LYS 112 Ca 0.05 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 3d9y h LYS 112 Cb 0.16 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 3d9y h LYS 112 CO -0.00 0.60 0.00 0.82 -3.45 0.00 0.00 179.45 177.42 3d9y h ILE 113 N 0.93 1.25 -0.12 2.00 2.04 -1.17 -0.69 117.51 121.75 3d9y h ILE 113 Ca 0.34 -0.85 -0.19 0.00 1.00 0.00 0.00 64.86 65.17 3d9y h ILE 113 Cb 0.12 1.42 0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3d9y h ILE 113 CO -0.16 0.26 -0.65 0.74 0.00 0.00 0.00 178.15 178.35 3d9y h THR 114 N 0.11 1.32 -0.88 -0.27 2.02 -1.16 -1.24 112.91 112.81 3d9y h THR 114 Ca 0.06 -1.91 -0.01 0.00 0.77 0.00 0.00 66.41 65.32 3d9y h THR 114 Cb 0.38 2.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.86 3d9y h THR 114 CO 0.01 0.59 0.51 -0.33 0.37 0.00 0.00 175.52 176.67 3d9y h GLU 115 N 0.32 1.21 -0.41 6.66 4.39 -0.88 0.04 114.58 125.92 3d9y h GLU 115 Ca -0.05 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.50 3d9y h GLU 115 Cb 1.29 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 3d9y h GLU 115 CO 0.13 0.87 0.13 0.00 -1.16 0.00 0.00 179.01 178.98 3d9y h ALA 116 N 1.33 0.53 -0.34 3.43 0.00 -0.92 0.55 119.26 123.84 3d9y h ALA 116 Ca 0.31 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3d9y h ALA 116 Cb -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3d9y h ALA 116 CO -0.05 0.17 -0.11 -0.07 0.00 0.00 0.00 179.25 179.19 3d9y h LEU 117 N 0.51 0.56 -0.09 0.00 4.07 -0.95 0.10 115.31 119.51 3d9y h LEU 117 Ca 0.13 -0.15 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 3d9y h LEU 117 Cb 0.25 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 3d9y h LEU 117 CO -0.01 0.70 0.03 0.00 -1.08 0.00 0.00 178.44 178.09 3d9y h ALA 118 N 1.36 0.11 -0.90 1.53 0.00 -0.66 -1.95 119.26 118.75 3d9y h ALA 118 Ca 0.10 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3d9y h ALA 118 Cb 0.50 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3d9y h ALA 118 CO 0.03 -0.30 0.59 -0.44 0.00 0.00 0.00 179.25 179.13 3d9y h ASP 119 N -0.02 0.93 -0.09 0.00 3.32 -0.46 -0.45 116.42 119.65 3d9y h ASP 119 Ca 0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3d9y h ASP 119 Cb 0.18 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 3d9y h ASP 119 CO -0.00 0.61 0.05 0.22 -1.72 0.00 0.00 179.24 178.40 3d9y h TYR 120 N 1.06 0.12 -0.58 4.55 3.20 -0.83 0.29 116.97 124.78 3d9y h TYR 120 Ca 0.38 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.24 3d9y h TYR 120 Cb 0.13 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 3d9y h TYR 120 CO -0.00 0.13 0.34 -0.07 -1.64 0.00 0.00 178.16 176.92 3d9y h LEU 121 N 0.07 0.70 -0.70 2.82 3.38 -1.01 -1.64 115.31 118.93 3d9y h LEU 121 Ca 0.03 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3d9y h LEU 121 Cb 0.05 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 3d9y h LEU 121 CO -0.01 0.56 0.43 0.58 0.09 0.00 0.00 178.44 180.10 3d9y h VAL 122 N 0.78 1.06 0.00 1.22 2.07 -0.89 0.19 116.25 120.68 3d9y h VAL 122 Ca 0.21 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3d9y h VAL 122 Cb -0.00 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.93 3d9y h VAL 122 CO -0.04 0.15 -0.08 1.23 0.02 0.00 0.00 177.57 178.85 3d9y h GLY 123 N 0.82 0.00 0.83 2.17 0.00 -0.06 -2.23 103.07 104.60 3d9y h GLY 123 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3d9y h GLY 123 CO -0.13 0.00 -0.85 -0.62 0.00 0.00 0.00 176.54 174.94 3d9y n VAL 124 N -4.26 0.24 0.00 4.60 0.31 -0.71 -4.96 118.33 113.54 3d9y n VAL 124 Ca -0.03 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3d9y n VAL 124 Cb 0.17 0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.17 3d9y n VAL 124 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d9y n GLY 125 N 1.36 1.59 0.72 2.92 0.00 -0.55 -5.10 105.19 106.13 3d9y n GLY 125 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 3d9y n GLY 125 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60