#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ijk n PRO 3 N -3.75 0.06 -2.68 0.00 -0.04 -1.26 -4.90 135.00 122.43 1ijk n PRO 3 Ca 0.09 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.12 1ijk n PRO 3 Cb 0.54 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.97 1ijk n PRO 3 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ijk s SER 4 N -1.96 7.13 0.00 3.54 0.15 -1.26 -3.55 113.70 117.75 1ijk s SER 4 Ca 0.00 1.41 0.00 0.00 0.70 0.00 0.00 55.95 58.06 1ijk s SER 4 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1ijk s SER 4 CO 0.00 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.45 1ijk n GLY 5 N 3.27 2.03 3.85 9.45 0.00 -1.26 -5.04 105.19 117.49 1ijk n GLY 5 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1ijk n GLY 5 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ijk s TRP 6 N -2.33 3.61 0.28 1.61 0.52 -1.23 -4.82 118.94 116.58 1ijk s TRP 6 Ca 0.00 0.95 0.06 0.00 0.02 0.00 0.00 56.10 57.13 1ijk s TRP 6 Cb 0.00 -2.28 -0.03 0.00 -1.15 0.00 0.00 33.47 30.01 1ijk s TRP 6 CO 0.00 0.49 0.34 -1.12 0.02 0.00 0.00 176.95 176.67 1ijk s SER 7 N -1.67 5.89 0.05 2.95 0.01 0.62 -4.74 113.70 116.80 1ijk s SER 7 Ca 0.35 -0.15 0.07 0.00 1.31 0.00 0.00 55.95 57.52 1ijk s SER 7 Cb -0.15 -1.46 -0.03 0.00 0.21 0.00 0.00 66.02 64.59 1ijk s SER 7 CO 0.18 -0.19 -0.20 -0.94 0.41 0.00 0.00 173.24 172.50 1ijk s SER 8 N -4.00 2.44 -0.17 2.44 1.04 -1.26 0.19 113.70 114.39 1ijk s SER 8 Ca 0.37 -0.54 -0.21 0.00 0.48 0.00 0.00 55.95 56.05 1ijk s SER 8 Cb -0.08 -0.19 0.06 0.00 0.10 0.00 0.00 66.02 65.90 1ijk s SER 8 CO 0.28 0.14 0.57 -0.47 0.98 0.00 0.00 173.24 174.74 1ijk s TYR 9 N -0.85 -0.60 -0.24 5.02 6.14 -0.40 -4.95 117.35 121.46 1ijk s TYR 9 Ca 0.07 1.37 -0.03 0.00 0.64 0.00 0.00 57.07 59.11 1ijk s TYR 9 Cb -0.09 0.24 0.03 0.00 0.42 0.00 0.00 41.96 42.56 1ijk s TYR 9 CO 0.02 -0.36 0.08 0.39 0.64 0.00 0.00 175.55 176.31 1ijk n GLU 10 N 2.32 -1.67 0.00 4.97 4.71 -1.26 0.53 120.64 130.23 1ijk n GLU 10 Ca -0.15 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.02 1ijk n GLU 10 Cb 0.56 -2.21 0.00 0.00 -1.01 0.00 0.00 31.44 28.78 1ijk n GLU 10 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ijk n GLY 11 N -0.38 0.71 3.63 0.62 0.00 -1.26 -5.10 105.19 103.40 1ijk n GLY 11 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1ijk n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ijk s ASN 12 N -1.88 3.41 -0.09 1.61 0.01 0.19 -4.25 114.94 113.94 1ijk s ASN 12 Ca 0.00 -1.66 0.02 0.00 -0.71 0.00 0.00 52.86 50.51 1ijk s ASN 12 Cb 0.00 0.51 -0.01 0.00 0.41 0.00 0.00 41.25 42.15 1ijk s ASN 12 CO 0.00 -0.89 -0.17 0.00 -1.51 0.00 0.00 177.10 174.53 1ijk s TYR 14 N 0.00 2.24 -0.23 0.00 2.02 0.13 -2.20 117.35 119.31 1ijk s TYR 14 Ca -0.06 -0.38 -0.11 0.00 -0.37 0.00 0.00 57.07 56.15 1ijk s TYR 14 Cb -0.15 -1.21 0.08 0.00 -0.40 0.00 0.00 41.96 40.29 1ijk s TYR 14 CO 0.05 0.33 0.55 0.21 -1.57 0.00 0.00 175.55 175.12 1ijk s LYS 15 N -2.09 0.52 -0.11 -0.62 2.47 -0.79 -0.27 119.74 118.85 1ijk s LYS 15 Ca 0.14 1.08 -0.16 0.00 -1.56 0.00 0.00 55.97 55.46 1ijk s LYS 15 Cb -0.10 0.21 -0.05 0.00 -1.46 0.00 0.00 37.83 36.44 1ijk s LYS 15 CO 0.06 -0.17 0.40 0.12 0.16 0.00 0.00 175.35 175.91 1ijk s PHE 16 N 1.87 3.54 -0.05 4.03 5.36 -1.26 -0.57 117.98 130.91 1ijk s PHE 16 Ca -0.08 0.81 0.05 0.00 -0.96 0.00 0.00 56.93 56.76 1ijk s PHE 16 Cb -0.08 -2.42 -0.02 0.00 -0.34 0.00 0.00 43.02 40.16 1ijk s PHE 16 CO -0.16 0.30 -0.21 -0.06 -1.46 0.00 0.00 175.22 173.63 1ijk s PHE 17 N 0.18 2.51 -0.24 10.12 0.40 -0.06 -5.01 117.98 125.88 1ijk s PHE 17 Ca 0.22 -0.47 0.19 0.00 -0.60 0.00 0.00 56.93 56.27 1ijk s PHE 17 Cb -0.15 -1.60 0.09 0.00 0.51 0.00 0.00 43.02 41.88 1ijk s PHE 17 CO 0.09 -0.05 1.30 1.96 0.70 0.00 0.00 175.22 179.22 1ijk h GLN 18 N 5.74 0.00 -6.28 0.44 1.08 -1.93 -2.38 115.11 111.77 1ijk h GLN 18 Ca -0.39 0.00 -0.67 0.00 -1.45 0.00 0.00 58.65 56.14 1ijk h GLN 18 Cb 1.16 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 28.63 1ijk h GLN 18 CO 0.49 0.23 0.65 1.04 -0.95 0.00 0.00 178.83 180.29 1ijk n GLN 19 N -3.03 1.39 -3.17 1.46 3.00 -1.26 -4.46 117.38 111.32 1ijk n GLN 19 Ca 0.00 0.50 -0.40 0.00 -0.01 0.00 0.00 57.00 57.09 1ijk n GLN 19 Cb 0.66 -2.19 -0.07 0.00 0.00 0.00 0.00 30.24 28.64 1ijk n GLN 19 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1ijk s LYS 20 N 1.46 4.11 0.07 -1.09 1.02 -1.26 -4.10 119.74 119.95 1ijk s LYS 20 Ca 0.87 0.46 -0.01 0.00 0.02 0.00 0.00 55.97 57.31 1ijk s LYS 20 Cb -0.91 -3.63 -0.04 0.00 -0.52 0.00 0.00 37.83 32.72 1ijk s LYS 20 CO 0.50 -0.35 -0.01 -1.64 -0.92 0.00 0.00 175.35 172.92 1ijk s MET 21 N 2.29 0.69 0.83 1.68 -1.94 -0.50 -4.68 119.30 117.67 1ijk s MET 21 Ca 0.24 -1.28 -0.12 0.00 -1.71 0.00 0.00 55.69 52.83 1ijk s MET 21 Cb -0.16 0.19 0.09 0.00 2.01 0.00 0.00 34.83 36.96 1ijk s MET 21 CO 0.09 -0.14 1.10 0.54 -0.01 0.00 0.00 175.02 176.60 1ijk s ASN 22 N -2.96 4.16 0.22 3.03 2.20 -1.23 -0.91 114.94 119.44 1ijk s ASN 22 Ca 0.11 1.34 -0.09 0.00 -0.94 0.00 0.00 52.86 53.28 1ijk s ASN 22 Cb 0.08 -2.05 0.33 0.00 -2.00 0.00 0.00 41.25 37.61 1ijk s ASN 22 CO -0.07 -2.19 1.68 -0.25 -2.94 0.00 0.00 177.10 173.34 1ijk h TRP 23 N -1.24 0.11 -0.36 1.54 7.01 -1.62 -0.66 115.95 120.73 1ijk h TRP 23 Ca -0.48 0.04 -0.11 0.00 2.11 0.00 0.00 58.89 60.45 1ijk h TRP 23 Cb 1.28 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 28.37 1ijk h TRP 23 CO 0.44 -0.10 -0.23 0.00 -2.79 0.00 0.00 178.44 175.77 1ijk h ALA 24 N 1.54 0.92 -0.04 2.65 0.00 -1.92 -0.56 119.26 121.85 1ijk h ALA 24 Ca 0.34 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1ijk h ALA 24 Cb 0.54 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ijk h ALA 24 CO -0.48 0.62 -0.69 -0.44 0.00 0.00 0.00 179.25 178.25 1ijk h ASP 25 N 0.63 0.23 -0.41 0.00 3.32 -1.80 -2.22 116.42 116.16 1ijk h ASP 25 Ca 0.09 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 1ijk h ASP 25 Cb 0.72 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1ijk h ASP 25 CO 0.06 0.85 0.03 0.00 -1.72 0.00 0.00 179.24 178.45 1ijk h ALA 26 N 1.15 0.55 -0.48 3.45 0.00 -0.80 -0.02 119.26 123.10 1ijk h ALA 26 Ca -0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ijk h ALA 26 Cb 1.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1ijk h ALA 26 CO 0.10 0.30 0.29 1.49 0.00 0.00 0.00 179.25 181.44 1ijk h GLU 27 N 0.54 0.65 -0.05 0.00 4.57 -1.02 -0.93 114.58 118.34 1ijk h GLU 27 Ca 0.12 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1ijk h GLU 27 Cb 0.44 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1ijk h GLU 27 CO 0.02 0.47 0.02 -0.09 -1.18 0.00 0.00 179.01 178.25 1ijk h ARG 28 N 0.64 0.08 -0.67 1.92 2.43 -1.26 -2.57 114.38 114.96 1ijk h ARG 28 Ca 0.17 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.46 1ijk h ARG 28 Cb -0.02 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.43 1ijk h ARG 28 CO -0.03 0.21 0.19 0.35 -1.51 0.00 0.00 179.97 179.18 1ijk h PHE 29 N -0.07 0.31 -0.15 2.20 3.04 -0.71 -0.47 116.94 121.09 1ijk h PHE 29 Ca 0.02 0.04 -0.06 0.00 3.98 0.00 0.00 57.97 61.94 1ijk h PHE 29 Cb 0.16 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.62 1ijk h PHE 29 CO -0.02 -0.01 -0.18 0.00 -2.02 0.00 0.00 178.31 176.08 1ijk h SER 31 N 0.23 0.00 0.71 0.00 4.64 -0.69 -2.83 113.55 115.62 1ijk h SER 31 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1ijk h SER 31 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1ijk h SER 31 CO 0.03 0.08 -0.72 -0.62 -0.87 0.00 0.00 176.83 174.73 1ijk n GLU 32 N -3.19 0.26 0.19 4.77 1.02 -0.96 -3.86 120.64 118.88 1ijk n GLU 32 Ca 0.01 0.05 0.14 0.00 -0.02 0.00 0.00 57.16 57.34 1ijk n GLU 32 Cb 0.40 -1.64 0.43 0.00 -0.02 0.00 0.00 31.44 30.61 1ijk n GLU 32 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ijk h GLN 33 N 0.00 0.00 -1.41 3.49 1.08 -1.29 -3.47 115.11 113.52 1ijk h GLN 33 Ca 0.00 0.00 0.28 0.00 -1.45 0.00 0.00 58.65 57.48 1ijk h GLN 33 Cb 0.72 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 27.97 1ijk h GLN 33 CO 0.00 0.00 0.84 0.00 -0.95 0.00 0.00 178.83 178.72 1ijk s ALA 34 N -3.33 -2.14 -0.15 3.87 0.00 -1.25 -5.04 121.76 113.72 1ijk s ALA 34 Ca 0.06 1.42 -0.29 0.00 0.00 0.00 0.00 51.96 53.14 1ijk s ALA 34 Cb 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1ijk s ALA 34 CO 0.56 -0.70 1.41 0.15 0.00 0.00 0.00 175.76 177.18 1ijk s LYS 35 N -2.37 4.16 0.00 0.00 1.02 -1.26 -2.19 119.74 119.10 1ijk s LYS 35 Ca 0.11 1.78 0.00 0.00 0.02 0.00 0.00 55.97 57.88 1ijk s LYS 35 Cb 0.01 -3.86 0.00 0.00 -0.52 0.00 0.00 37.83 33.45 1ijk s LYS 35 CO -0.04 -0.83 0.00 0.41 -0.92 0.00 0.00 175.35 173.97 1ijk n GLY 36 N 3.91 0.57 3.81 -3.33 0.00 -1.26 -4.30 105.19 104.59 1ijk n GLY 36 Ca 0.15 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 1ijk n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ijk s GLY 37 N -2.79 2.61 0.21 -0.02 0.00 -0.93 -4.00 107.32 102.39 1ijk s GLY 37 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 44.72 44.54 1ijk s GLY 37 CO 0.00 0.39 0.45 0.30 0.00 0.00 0.00 173.10 174.23 1ijk s HIS 38 N -1.02 0.20 0.33 1.90 3.76 0.14 -2.85 115.29 117.76 1ijk s HIS 38 Ca 0.27 -0.56 -0.29 0.00 -0.15 0.00 0.00 55.06 54.34 1ijk s HIS 38 Cb -0.18 0.20 -0.12 0.00 1.11 0.00 0.00 32.58 33.59 1ijk s HIS 38 CO 0.17 -0.90 1.46 1.28 -0.85 0.00 0.00 174.74 175.90 1ijk n LEU 39 N -0.32 4.21 -4.49 0.89 4.77 -1.26 0.57 117.00 121.36 1ijk n LEU 39 Ca -0.06 1.19 -0.43 0.00 -0.03 0.00 0.00 56.01 56.68 1ijk n LEU 39 Cb 0.62 -1.56 -0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1ijk n LEU 39 CO 0.21 -0.06 0.21 0.55 -1.33 0.00 0.00 177.39 176.97 1ijk n VAL 40 N 1.01 1.89 -4.86 4.08 3.14 -0.06 -3.73 118.33 119.80 1ijk n VAL 40 Ca 0.05 -0.50 -0.31 0.00 -2.96 0.00 0.00 64.34 60.62 1ijk n VAL 40 Cb 0.37 -0.61 -0.14 0.00 -1.06 0.00 0.00 33.84 32.40 1ijk n VAL 40 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1ijk s SER 41 N -0.84 3.64 -0.04 6.55 1.04 -1.26 -0.03 113.70 122.75 1ijk s SER 41 Ca 0.62 -0.40 0.02 0.00 0.48 0.00 0.00 55.95 56.67 1ijk s SER 41 Cb -0.67 -0.58 0.01 0.00 0.10 0.00 0.00 66.02 64.88 1ijk s SER 41 CO 0.58 0.29 -0.08 -0.63 0.98 0.00 0.00 173.24 174.38 1ijk s ILE 42 N -0.81 0.73 -0.58 -1.02 1.01 -1.26 -5.04 121.20 114.23 1ijk s ILE 42 Ca 0.13 -0.29 -0.28 0.00 0.00 0.00 0.00 60.65 60.21 1ijk s ILE 42 Cb -0.10 -0.68 0.02 0.00 0.01 0.00 0.00 42.46 41.70 1ijk s ILE 42 CO 0.03 0.25 1.35 -0.54 0.00 0.00 0.00 174.94 176.02 1ijk s LYS 43 N 0.49 3.35 0.12 2.79 1.02 -1.26 -4.91 119.74 121.34 1ijk s LYS 43 Ca -0.08 0.35 -0.21 0.00 0.02 0.00 0.00 55.97 56.05 1ijk s LYS 43 Cb -0.11 -4.10 -0.03 0.00 -0.52 0.00 0.00 37.83 33.07 1ijk s LYS 43 CO 0.01 -1.89 1.10 1.51 -0.92 0.00 0.00 175.35 175.16 1ijk n ILE 44 N 6.78 -0.47 -3.16 2.17 3.06 -1.26 -2.13 119.36 124.34 1ijk n ILE 44 Ca 0.11 1.72 -0.44 0.00 -2.50 0.00 0.00 62.75 61.64 1ijk n ILE 44 Cb 0.49 -2.14 0.00 0.00 0.54 0.00 0.00 39.64 38.53 1ijk n ILE 44 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 1ijk n TYR 45 N -4.91 3.97 -3.95 9.51 4.01 -1.26 -4.86 117.16 119.67 1ijk n TYR 45 Ca 0.02 -3.31 -0.12 0.00 -0.16 0.00 0.00 57.90 54.33 1ijk n TYR 45 Cb 0.20 -1.55 -0.01 0.00 -0.31 0.00 0.00 39.34 37.67 1ijk n TYR 45 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1ijk s SER 46 N 0.08 0.48 0.18 7.72 1.04 -0.91 -5.04 113.70 117.26 1ijk s SER 46 Ca 0.32 -1.32 0.25 0.00 0.48 0.00 0.00 55.95 55.67 1ijk s SER 46 Cb -0.03 0.76 0.50 0.00 0.10 0.00 0.00 66.02 67.35 1ijk s SER 46 CO 0.00 -1.50 1.50 0.07 0.98 0.00 0.00 173.24 174.29 1ijk h LYS 47 N 2.05 0.00 0.00 4.02 -0.00 -1.92 -3.08 116.57 117.63 1ijk h LYS 47 Ca -0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.34 1ijk h LYS 47 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.47 1ijk h LYS 47 CO 0.40 0.00 -0.04 1.49 -0.00 0.00 0.00 179.45 181.29 1ijk h GLU 48 N 0.00 0.00 -0.00 0.07 4.81 -1.96 -2.06 114.58 115.43 1ijk h GLU 48 Ca 0.00 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1ijk h GLU 48 Cb 0.78 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 1ijk h GLU 48 CO 0.00 0.04 -0.11 -0.22 -0.73 0.00 0.00 179.01 177.99 1ijk h LYS 49 N 0.00 -0.19 0.00 1.92 3.64 -1.78 -1.61 116.57 118.55 1ijk h LYS 49 Ca -0.00 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 1ijk h LYS 49 Cb 0.11 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1ijk h LYS 49 CO 0.01 -0.12 -0.73 -0.44 -2.27 0.00 0.00 179.45 175.89 1ijk h ASP 50 N -0.19 0.00 0.92 4.20 3.32 -1.60 -0.44 116.42 122.64 1ijk h ASP 50 Ca 0.04 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1ijk h ASP 50 Cb 0.25 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.81 1ijk h ASP 50 CO -0.12 0.73 -0.44 0.15 -1.72 0.00 0.00 179.24 177.84 1ijk h PHE 51 N 0.00 -1.15 -0.14 4.55 3.57 -1.22 0.75 116.94 123.31 1ijk h PHE 51 Ca -0.01 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.50 1ijk h PHE 51 Cb 1.32 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 40.44 1ijk h PHE 51 CO 0.00 -0.72 0.10 0.28 -2.23 0.00 0.00 178.31 175.74 1ijk h VAL 52 N -1.30 0.95 -0.00 1.41 2.07 -1.35 0.27 116.25 118.31 1ijk h VAL 52 Ca -0.13 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1ijk h VAL 52 Cb 0.95 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1ijk h VAL 52 CO 0.21 0.01 0.00 1.23 0.02 0.00 0.00 177.57 179.04 1ijk h GLY 53 N 0.04 0.00 1.05 2.17 0.00 -0.42 -2.65 103.07 103.26 1ijk h GLY 53 Ca 0.06 -0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.29 1ijk h GLY 53 CO -0.00 0.00 -0.11 -0.55 0.00 0.00 0.00 176.54 175.88 1ijk h ASP 54 N -0.25 0.94 -0.94 0.19 3.32 0.18 -2.53 116.42 117.34 1ijk h ASP 54 Ca 0.00 -0.36 0.13 0.00 0.02 0.00 0.00 57.03 56.82 1ijk h ASP 54 Cb 0.25 -0.26 -0.09 0.00 0.22 0.00 0.00 39.33 39.45 1ijk h ASP 54 CO 0.00 1.08 0.56 0.25 -1.72 0.00 0.00 179.24 179.41 1ijk h LEU 55 N 0.79 0.78 0.07 1.55 5.85 -0.47 -2.05 115.31 121.82 1ijk h LEU 55 Ca 0.12 0.06 -0.26 0.00 0.84 0.00 0.00 57.88 58.65 1ijk h LEU 55 Cb 0.66 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1ijk h LEU 55 CO 0.05 0.39 -1.17 0.58 -0.34 0.00 0.00 178.44 177.94 1ijk h VAL 56 N 0.85 1.54 0.28 1.05 2.07 -1.40 -3.36 116.25 117.28 1ijk h VAL 56 Ca 0.48 -3.09 -0.01 0.00 0.82 0.00 0.00 66.70 64.90 1ijk h VAL 56 Cb 0.56 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1ijk h VAL 56 CO -0.30 0.90 -0.13 0.74 0.02 0.00 0.00 177.57 178.80 1ijk h THR 57 N 0.07 0.76 -0.96 2.57 2.02 -0.95 -0.06 112.91 116.36 1ijk h THR 57 Ca -0.10 -0.29 -0.63 0.00 0.77 0.00 0.00 66.41 66.15 1ijk h THR 57 Cb 1.90 0.92 -0.12 0.00 -1.74 0.00 0.00 68.15 69.11 1ijk h THR 57 CO 0.19 0.06 1.79 2.29 0.37 0.00 0.00 175.52 180.22 1ijk n LYS 58 N -5.19 3.74 0.00 6.66 2.85 -0.85 -3.68 118.16 121.69 1ijk n LYS 58 Ca -0.10 -2.89 0.00 0.00 -1.05 0.00 0.00 58.31 54.27 1ijk n LYS 58 Cb 0.21 -2.47 0.00 0.00 -0.65 0.00 0.00 35.03 32.13 1ijk n LYS 58 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1ijk n ASN 59 N 1.68 0.00 -3.51 -5.58 4.13 -1.21 -4.95 115.26 105.82 1ijk n ASN 59 Ca 0.59 0.00 -0.45 0.00 1.68 0.00 0.00 54.58 56.40 1ijk n ASN 59 Cb 0.37 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.50 1ijk n ASN 59 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ijk n ILE 60 N -0.08 0.15 -0.47 2.41 0.13 -0.04 -4.68 119.36 116.79 1ijk n ILE 60 Ca 0.00 -0.13 -0.11 0.00 -1.10 0.00 0.00 62.75 61.40 1ijk n ILE 60 Cb 0.00 -2.03 -0.03 0.00 -0.84 0.00 0.00 39.64 36.74 1ijk n ILE 60 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1ijk n GLN 61 N 7.91 1.21 -3.61 9.51 1.13 -1.26 -4.48 117.38 127.79 1ijk n GLN 61 Ca 0.47 -0.88 -0.03 0.00 -1.94 0.00 0.00 57.00 54.63 1ijk n GLN 61 Cb 0.42 -2.08 -0.01 0.00 0.11 0.00 0.00 30.24 28.67 1ijk n GLN 61 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1ijk s SER 62 N 3.40 -0.14 -0.06 1.08 0.01 -1.26 -5.01 113.70 111.72 1ijk s SER 62 Ca 0.27 -0.09 0.10 0.00 1.31 0.00 0.00 55.95 57.55 1ijk s SER 62 Cb 0.09 0.21 0.41 0.00 0.21 0.00 0.00 66.02 66.95 1ijk s SER 62 CO -0.01 -0.37 1.26 -0.24 0.41 0.00 0.00 173.24 174.29 1ijk n SER 63 N -0.29 2.93 -4.42 2.44 2.88 -1.26 -4.96 113.62 110.94 1ijk n SER 63 Ca -0.04 -2.25 -0.39 0.00 -1.33 0.00 0.00 58.87 54.85 1ijk n SER 63 Cb 0.61 -0.44 0.02 0.00 -0.75 0.00 0.00 64.21 63.65 1ijk n SER 63 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1ijk n ASP 64 N 0.54 -1.48 -0.00 -3.46 10.43 -1.26 -4.91 116.55 116.41 1ijk n ASP 64 Ca 0.15 0.78 0.09 0.00 2.57 0.00 0.00 54.79 58.38 1ijk n ASP 64 Cb 0.56 -1.09 -0.11 0.00 1.84 0.00 0.00 41.12 42.32 1ijk n ASP 64 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1ijk n LEU 65 N 1.15 0.76 -3.97 0.64 4.77 -1.26 -4.86 117.00 114.22 1ijk n LEU 65 Ca 0.11 -0.44 -0.09 0.00 -0.03 0.00 0.00 56.01 55.55 1ijk n LEU 65 Cb 0.45 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 1ijk n LEU 65 CO 0.53 0.19 -0.36 -0.31 -1.33 0.00 0.00 177.39 176.11 1ijk s TYR 66 N -2.76 0.25 -0.10 -1.77 4.12 -1.26 -1.06 117.35 114.76 1ijk s TYR 66 Ca 0.05 -0.48 -0.01 0.00 0.02 0.00 0.00 57.07 56.65 1ijk s TYR 66 Cb 0.13 -0.18 0.03 0.00 -1.52 0.00 0.00 41.96 40.43 1ijk s TYR 66 CO 0.74 -0.17 -0.02 0.00 0.02 0.00 0.00 175.55 176.12 1ijk s ALA 67 N -1.32 0.97 0.48 3.71 0.00 -0.61 -3.87 121.76 121.14 1ijk s ALA 67 Ca -0.14 -0.36 -0.24 0.00 0.00 0.00 0.00 51.96 51.22 1ijk s ALA 67 Cb -0.09 -0.86 -0.07 0.00 0.00 0.00 0.00 23.12 22.09 1ijk s ALA 67 CO -0.01 -0.54 1.33 0.91 0.00 0.00 0.00 175.76 177.46 1ijk n TRP 68 N 5.06 2.29 -4.48 0.00 5.03 -0.76 0.14 117.44 124.72 1ijk n TRP 68 Ca -0.09 0.45 -0.23 0.00 3.03 0.00 0.00 57.50 60.66 1ijk n TRP 68 Cb 0.50 -2.38 -0.10 0.00 -1.03 0.00 0.00 31.31 28.29 1ijk n TRP 68 CO 0.00 0.00 0.00 0.96 -0.03 0.00 0.00 177.69 178.62 1ijk s ILE 69 N -1.25 1.01 -1.99 -0.99 -4.36 -0.57 -3.27 121.20 109.77 1ijk s ILE 69 Ca 0.66 -2.00 0.26 0.00 -0.26 0.00 0.00 60.65 59.31 1ijk s ILE 69 Cb -0.45 -2.64 0.73 0.00 1.25 0.00 0.00 42.46 41.35 1ijk s ILE 69 CO 0.54 0.00 1.90 0.61 0.24 0.00 0.00 174.94 178.23 1ijk n GLY 70 N -0.77 -0.82 3.73 6.27 0.00 0.96 -4.58 105.19 109.98 1ijk n GLY 70 Ca -0.04 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1ijk n GLY 70 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ijk s LEU 71 N -2.01 4.42 0.00 0.99 2.96 -1.26 -4.98 118.68 118.80 1ijk s LEU 71 Ca 0.39 1.54 -0.08 0.00 -0.22 0.00 0.00 54.13 55.76 1ijk s LEU 71 Cb 0.18 -3.38 0.00 0.00 0.50 0.00 0.00 46.19 43.50 1ijk s LEU 71 CO 0.30 -0.09 0.16 0.00 -1.32 0.00 0.00 176.35 175.40 1ijk s ARG 72 N 0.34 0.51 0.24 1.98 1.70 -1.26 -1.31 118.95 121.14 1ijk s ARG 72 Ca 0.44 -0.37 -0.31 0.00 -0.47 0.00 0.00 55.73 55.01 1ijk s ARG 72 Cb -0.21 0.21 -0.12 0.00 -0.57 0.00 0.00 34.95 34.26 1ijk s ARG 72 CO 0.25 -0.12 1.64 0.28 -1.08 0.00 0.00 175.30 176.27 1ijk n VAL 73 N 1.44 0.47 0.05 4.99 0.31 0.13 -4.91 118.33 120.82 1ijk n VAL 73 Ca -0.23 -0.12 -0.01 0.00 -0.01 0.00 0.00 64.34 63.98 1ijk n VAL 73 Cb 0.56 -1.91 -0.07 0.00 -0.91 0.00 0.00 33.84 31.51 1ijk n VAL 73 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1ijk h GLU 74 N 5.74 0.00 -6.96 5.55 4.22 -1.99 -3.48 114.58 117.66 1ijk h GLU 74 Ca -0.45 0.00 -0.55 0.00 0.08 0.00 0.00 59.36 58.44 1ijk h GLU 74 Cb 1.22 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.59 1ijk h GLU 74 CO 0.87 0.39 0.69 0.09 -2.18 0.00 0.00 179.01 178.87 1ijk n ASN 75 N -3.00 3.33 0.12 1.04 5.03 -1.26 -4.92 115.26 115.60 1ijk n ASN 75 Ca -0.07 1.14 -0.02 0.00 0.87 0.00 0.00 54.58 56.49 1ijk n ASN 75 Cb 0.84 -1.60 0.11 0.00 -1.02 0.00 0.00 39.78 38.11 1ijk n ASN 75 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 1ijk h LYS 76 N 2.37 0.00 -7.19 3.52 6.56 -1.98 -3.46 116.57 116.39 1ijk h LYS 76 Ca -0.51 0.00 -0.50 0.00 -1.06 0.00 0.00 60.65 58.59 1ijk h LYS 76 Cb 1.27 0.00 0.21 0.00 -0.57 0.00 0.00 32.23 33.13 1ijk h LYS 76 CO 0.61 0.70 0.09 0.39 -2.06 0.00 0.00 179.45 179.18 1ijk n GLU 77 N -3.68 -1.08 0.09 3.15 4.71 -1.26 -4.93 120.64 117.63 1ijk n GLU 77 Ca -0.01 -0.26 0.13 0.00 -0.01 0.00 0.00 57.16 57.01 1ijk n GLU 77 Cb 0.69 -2.28 0.45 0.00 -1.01 0.00 0.00 31.44 29.29 1ijk n GLU 77 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1ijk n LYS 78 N -4.31 0.21 -3.66 3.49 5.02 -1.26 -4.77 118.16 112.87 1ijk n LYS 78 Ca 0.09 0.19 -0.13 0.00 -2.02 0.00 0.00 58.31 56.43 1ijk n LYS 78 Cb 0.53 -1.75 -0.08 0.00 -0.02 0.00 0.00 35.03 33.71 1ijk n LYS 78 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1ijk s GLN 79 N -3.09 0.71 -0.18 1.97 1.03 -1.26 -4.77 119.66 114.07 1ijk s GLN 79 Ca 0.11 0.87 0.05 0.00 0.04 0.00 0.00 55.36 56.43 1ijk s GLN 79 Cb 0.13 0.33 0.40 0.00 0.03 0.00 0.00 33.01 33.91 1ijk s GLN 79 CO 0.57 -0.09 1.31 0.00 -2.54 0.00 0.00 175.29 174.55 1ijk s SER 81 N -0.33 6.74 -0.01 0.00 0.15 -1.26 -4.93 113.70 114.07 1ijk s SER 81 Ca 0.30 0.90 -0.23 0.00 0.70 0.00 0.00 55.95 57.62 1ijk s SER 81 Cb 0.24 -2.41 -0.20 0.00 -1.71 0.00 0.00 66.02 61.94 1ijk s SER 81 CO 0.07 -0.49 1.18 -1.28 1.20 0.00 0.00 173.24 173.92 1ijk h SER 82 N 7.79 0.27 -2.94 5.45 0.87 -1.96 -3.44 113.55 119.59 1ijk h SER 82 Ca -0.24 -0.62 -0.49 0.00 -1.23 0.00 0.00 61.79 59.20 1ijk h SER 82 Cb 1.10 -0.08 -0.14 0.00 -0.44 0.00 0.00 62.40 62.84 1ijk h SER 82 CO 0.85 0.85 -0.68 -1.61 -0.53 0.00 0.00 176.83 175.70 1ijk s GLU 83 N -3.72 1.53 0.89 2.24 2.02 -1.26 0.63 118.70 121.02 1ijk s GLU 83 Ca -0.15 -1.76 -0.13 0.00 0.02 0.00 0.00 54.97 52.95 1ijk s GLU 83 Cb 0.03 -1.17 0.15 0.00 0.10 0.00 0.00 34.13 33.24 1ijk s GLU 83 CO 0.74 0.07 1.24 -1.58 0.02 0.00 0.00 175.26 175.75 1ijk s TRP 84 N -2.99 2.02 -0.08 1.61 0.52 -0.27 -4.89 118.94 114.86 1ijk s TRP 84 Ca 0.29 0.38 0.29 0.00 0.02 0.00 0.00 56.10 57.07 1ijk s TRP 84 Cb 0.03 -3.81 1.37 0.00 -1.15 0.00 0.00 33.47 29.91 1ijk s TRP 84 CO 0.11 -2.27 1.87 0.66 0.02 0.00 0.00 176.95 177.34 1ijk h SER 85 N -1.33 0.00 0.01 2.95 4.64 -2.02 -3.13 113.55 114.67 1ijk h SER 85 Ca -0.44 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1ijk h SER 85 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1ijk h SER 85 CO 0.46 0.00 -0.00 -2.24 -0.87 0.00 0.00 176.83 174.18 1ijk h ASP 86 N 0.00 -0.01 0.00 4.97 3.04 -2.03 -3.48 116.42 118.91 1ijk h ASP 86 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1ijk h ASP 86 Cb 0.23 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.53 1ijk h ASP 86 CO 0.00 0.01 0.00 0.61 -2.04 0.00 0.00 179.24 177.82 1ijk n GLY 87 N 1.36 0.06 3.64 7.15 0.00 -1.18 -5.13 105.19 111.09 1ijk n GLY 87 Ca -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1ijk n GLY 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ijk n SER 88 N 0.00 2.30 -4.65 1.61 3.41 -1.26 -4.60 113.62 110.43 1ijk n SER 88 Ca 0.00 1.13 -0.30 0.00 -0.26 0.00 0.00 58.87 59.44 1ijk n SER 88 Cb 0.00 -1.34 0.17 0.00 -0.26 0.00 0.00 64.21 62.78 1ijk n SER 88 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ijk s SER 89 N 0.36 2.76 -0.10 4.04 1.04 -1.26 -1.11 113.70 119.43 1ijk s SER 89 Ca 0.74 1.80 -0.04 0.00 0.48 0.00 0.00 55.95 58.93 1ijk s SER 89 Cb -0.75 -2.40 -0.04 0.00 0.10 0.00 0.00 66.02 62.94 1ijk s SER 89 CO 0.48 -3.13 0.07 -0.69 0.98 0.00 0.00 173.24 170.95 1ijk s VAL 90 N -2.71 4.92 0.00 5.02 1.01 0.21 -4.68 120.40 124.17 1ijk s VAL 90 Ca 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1ijk s VAL 90 Cb -0.21 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1ijk s VAL 90 CO 0.59 0.60 0.00 -0.24 0.00 0.00 0.00 175.10 176.05 1ijk n SER 91 N 2.00 0.00 -4.65 3.32 2.88 -1.26 -4.96 113.62 110.94 1ijk n SER 91 Ca -0.19 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 56.92 1ijk n SER 91 Cb 0.54 0.31 -0.02 0.00 -0.75 0.00 0.00 64.21 64.29 1ijk n SER 91 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1ijk s TYR 92 N -1.97 3.08 0.20 0.66 5.04 -1.26 -5.00 117.35 118.10 1ijk s TYR 92 Ca 0.00 1.20 0.08 0.00 -2.44 0.00 0.00 57.07 55.91 1ijk s TYR 92 Cb 0.00 -3.52 -0.05 0.00 0.35 0.00 0.00 41.96 38.74 1ijk s TYR 92 CO 0.00 -1.02 -0.15 -2.00 -1.34 0.00 0.00 175.55 171.03 1ijk s GLU 93 N 3.52 1.34 -0.36 4.97 2.12 -1.26 -5.06 118.70 123.97 1ijk s GLU 93 Ca 0.49 -1.58 0.12 0.00 0.36 0.00 0.00 54.97 54.36 1ijk s GLU 93 Cb -0.16 -1.17 0.41 0.00 0.26 0.00 0.00 34.13 33.46 1ijk s GLU 93 CO 0.13 0.20 1.42 -1.71 -0.54 0.00 0.00 175.26 174.76 1ijk n ASN 94 N -0.32 -1.45 -4.73 -1.70 4.05 -1.26 -5.14 115.26 104.72 1ijk n ASN 94 Ca -0.08 -2.34 -0.41 0.00 0.45 0.00 0.00 54.58 52.19 1ijk n ASN 94 Cb 0.60 0.75 -0.04 0.00 1.23 0.00 0.00 39.78 42.32 1ijk n ASN 94 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1ijk s VAL 95 N -0.11 4.58 -0.24 3.44 1.01 -1.26 -5.02 120.40 122.80 1ijk s VAL 95 Ca 0.16 2.02 -0.29 0.00 0.00 0.00 0.00 61.98 63.87 1ijk s VAL 95 Cb 0.42 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1ijk s VAL 95 CO -0.10 0.30 1.42 -0.69 0.00 0.00 0.00 175.10 176.02 1ijk s VAL 96 N 0.14 3.99 0.15 2.92 1.01 -1.26 -4.95 120.40 122.40 1ijk s VAL 96 Ca 0.47 1.13 -0.26 0.00 0.00 0.00 0.00 61.98 63.32 1ijk s VAL 96 Cb -0.23 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1ijk s VAL 96 CO 0.29 -0.34 1.59 -0.33 0.00 0.00 0.00 175.10 176.30 1ijk h GLU 97 N 9.61 -0.34 0.00 2.72 5.08 -1.98 -0.34 114.58 129.33 1ijk h GLU 97 Ca -0.29 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1ijk h GLU 97 Cb 1.12 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1ijk h GLU 97 CO 1.01 -0.22 0.04 2.89 -1.00 0.00 0.00 179.01 181.72 1ijk n ARG 98 N -5.42 0.00 -0.00 2.33 1.85 -1.26 0.21 116.66 114.36 1ijk n ARG 98 Ca -0.01 0.07 0.08 0.00 -1.00 0.00 0.00 57.85 56.98 1ijk n ARG 98 Cb 0.35 -1.54 -0.10 0.00 -1.05 0.00 0.00 32.46 30.12 1ijk n ARG 98 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1ijk n THR 99 N -0.93 0.00 -2.48 8.89 5.66 -0.14 -4.96 114.28 120.32 1ijk n THR 99 Ca 0.00 -0.19 -0.42 0.00 -3.05 0.00 0.00 64.05 60.39 1ijk n THR 99 Cb 0.04 0.79 -0.03 0.00 -1.55 0.00 0.00 70.33 69.58 1ijk n THR 99 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1ijk s VAL 100 N -2.64 4.25 -0.55 1.08 1.01 0.13 -4.97 120.40 118.71 1ijk s VAL 100 Ca 0.03 1.60 0.03 0.00 0.00 0.00 0.00 61.98 63.64 1ijk s VAL 100 Cb 0.11 -4.03 0.14 0.00 0.00 0.00 0.00 36.38 32.61 1ijk s VAL 100 CO 0.65 0.07 0.30 -0.54 0.00 0.00 0.00 175.10 175.59 1ijk s LYS 101 N 1.51 2.11 0.00 2.72 1.02 -1.26 -4.07 119.74 121.77 1ijk s LYS 101 Ca 0.56 -2.64 0.10 0.00 0.02 0.00 0.00 55.97 54.01 1ijk s LYS 101 Cb -0.26 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.62 1ijk s LYS 101 CO 0.26 -1.13 0.57 1.63 -0.92 0.00 0.00 175.35 175.77 1ijk n LYS 102 N 3.12 2.55 -4.20 1.68 5.02 -0.78 -4.39 118.16 121.17 1ijk n LYS 102 Ca 0.06 -0.44 -0.34 0.00 -2.02 0.00 0.00 58.31 55.56 1ijk n LYS 102 Cb 0.33 -1.05 -0.10 0.00 -0.02 0.00 0.00 35.03 34.19 1ijk n LYS 102 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ijk s PHE 104 N 0.10 3.47 0.14 0.00 0.40 -0.43 0.14 117.98 121.80 1ijk s PHE 104 Ca 0.03 0.64 -0.08 0.00 -0.60 0.00 0.00 56.93 56.91 1ijk s PHE 104 Cb -0.13 -2.09 -0.01 0.00 0.51 0.00 0.00 43.02 41.30 1ijk s PHE 104 CO 0.02 0.25 0.24 0.00 0.70 0.00 0.00 175.22 176.42 1ijk s ALA 105 N -1.96 -0.01 0.10 5.36 0.00 -0.68 -1.52 121.76 123.06 1ijk s ALA 105 Ca 0.44 -0.85 -0.18 0.00 0.00 0.00 0.00 51.96 51.37 1ijk s ALA 105 Cb -0.11 0.74 -0.07 0.00 0.00 0.00 0.00 23.12 23.69 1ijk s ALA 105 CO 0.28 -0.59 0.58 -0.51 0.00 0.00 0.00 175.76 175.52 1ijk s LEU 106 N -2.94 4.47 0.04 0.00 1.43 0.36 -1.81 118.68 120.24 1ijk s LEU 106 Ca 0.14 1.24 -0.08 0.00 -1.03 0.00 0.00 54.13 54.40 1ijk s LEU 106 Cb 0.04 -3.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.16 1ijk s LEU 106 CO -0.03 0.21 0.33 -0.70 0.23 0.00 0.00 176.35 176.39 1ijk s GLU 107 N -1.37 3.67 0.05 1.70 2.12 -0.16 -1.57 118.70 123.13 1ijk s GLU 107 Ca 0.32 0.05 -0.28 0.00 0.36 0.00 0.00 54.97 55.41 1ijk s GLU 107 Cb -0.18 -3.05 -0.17 0.00 0.26 0.00 0.00 34.13 30.98 1ijk s GLU 107 CO 0.19 0.61 1.48 -0.22 -0.54 0.00 0.00 175.26 176.79 1ijk h LYS 108 N 3.89 -0.59 -6.40 4.30 3.64 -1.43 0.19 116.57 120.17 1ijk h LYS 108 Ca -0.50 0.04 -0.62 0.00 -1.27 0.00 0.00 60.65 58.30 1ijk h LYS 108 Cb 1.20 0.13 0.10 0.00 -0.41 0.00 0.00 32.23 33.25 1ijk h LYS 108 CO 0.66 -0.33 0.18 -0.25 -2.27 0.00 0.00 179.45 177.44 1ijk n ASP 109 N -5.30 1.26 0.00 4.20 9.92 -1.26 0.42 116.55 125.79 1ijk n ASP 109 Ca -0.11 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.31 1ijk n ASP 109 Cb 0.29 -1.25 0.00 0.00 -0.64 0.00 0.00 41.12 39.51 1ijk n ASP 109 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1ijk n LEU 110 N 1.61 0.22 -0.76 0.64 7.99 -1.26 -4.04 117.00 121.40 1ijk n LEU 110 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.12 1ijk n LEU 110 Cb 0.29 -0.55 0.00 0.00 -0.11 0.00 0.00 43.42 43.05 1ijk n LEU 110 CO 0.60 -0.15 0.00 0.61 -1.51 0.00 0.00 177.39 176.95 1ijk n GLY 111 N -2.05 0.53 3.85 -0.72 0.00 0.17 -4.46 105.19 102.50 1ijk n GLY 111 Ca 0.00 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 1ijk n GLY 111 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ijk n PHE 112 N -1.00 -1.74 0.00 1.61 3.72 0.67 -4.54 117.46 116.18 1ijk n PHE 112 Ca 0.00 0.68 0.00 0.00 -0.05 0.00 0.00 57.45 58.08 1ijk n PHE 112 Cb 0.41 -3.77 0.00 0.00 -0.94 0.00 0.00 39.48 35.18 1ijk n PHE 112 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1ijk n VAL 113 N -4.34 0.00 -3.45 -4.37 0.31 -1.25 -4.11 118.33 101.12 1ijk n VAL 113 Ca -0.26 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.69 1ijk n VAL 113 Cb 0.66 -0.01 -0.06 0.00 -0.91 0.00 0.00 33.84 33.52 1ijk n VAL 113 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1ijk s LEU 114 N -2.83 4.47 0.49 7.52 1.43 -1.26 -4.95 118.68 123.55 1ijk s LEU 114 Ca 0.00 1.01 -0.00 0.00 -1.03 0.00 0.00 54.13 54.10 1ijk s LEU 114 Cb 0.00 -2.65 0.01 0.00 0.03 0.00 0.00 46.19 43.58 1ijk s LEU 114 CO 0.00 0.30 0.72 0.26 0.23 0.00 0.00 176.35 177.86 1ijk s TRP 115 N -0.97 3.15 -0.28 0.29 0.51 -1.26 -0.99 118.94 119.39 1ijk s TRP 115 Ca 0.25 0.23 -0.18 0.00 -2.12 0.00 0.00 56.10 54.27 1ijk s TRP 115 Cb -0.17 -2.46 0.11 0.00 -0.81 0.00 0.00 33.47 30.13 1ijk s TRP 115 CO 0.14 -0.53 0.83 -1.50 -0.51 0.00 0.00 176.95 175.38 1ijk s ILE 116 N -2.65 0.00 0.06 2.03 2.07 -0.75 -4.84 121.20 117.12 1ijk s ILE 116 Ca 0.51 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.52 1ijk s ILE 116 Cb -0.10 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.43 1ijk s ILE 116 CO 0.39 0.00 0.68 0.54 -1.91 0.00 0.00 174.94 174.64 1ijk s ASN 117 N 1.21 7.15 0.32 4.50 4.22 -1.26 -1.69 114.94 129.39 1ijk s ASN 117 Ca -0.07 1.37 0.03 0.00 -2.14 0.00 0.00 52.86 52.06 1ijk s ASN 117 Cb -0.05 -2.43 -0.04 0.00 1.28 0.00 0.00 41.25 40.02 1ijk s ASN 117 CO -0.14 0.12 0.14 -0.76 -2.04 0.00 0.00 177.10 174.43 1ijk s LEU 118 N -0.50 1.75 -0.35 3.54 1.43 0.12 -4.90 118.68 119.77 1ijk s LEU 118 Ca 0.34 -1.55 -0.29 0.00 -1.03 0.00 0.00 54.13 51.60 1ijk s LEU 118 Cb -0.20 0.10 0.01 0.00 0.03 0.00 0.00 46.19 46.13 1ijk s LEU 118 CO 0.21 -0.86 1.31 -0.47 0.23 0.00 0.00 176.35 176.77 1ijk s TYR 119 N -3.54 2.62 0.37 0.29 5.04 -1.26 -1.87 117.35 119.00 1ijk s TYR 119 Ca 0.34 0.80 0.15 0.00 -2.44 0.00 0.00 57.07 55.93 1ijk s TYR 119 Cb 0.05 -4.08 1.03 0.00 0.35 0.00 0.00 41.96 39.30 1ijk s TYR 119 CO 0.17 -1.72 1.74 0.00 -1.34 0.00 0.00 175.55 174.40 1ijk n ALA 121 N -2.40 1.14 -1.74 0.00 0.00 -1.26 -2.66 120.51 113.58 1ijk n ALA 121 Ca 0.27 0.07 -0.36 0.00 0.00 0.00 0.00 53.44 53.42 1ijk n ALA 121 Cb 0.85 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 19.17 1ijk n ALA 121 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1ijk s GLN 122 N -3.21 3.02 -0.25 0.00 0.74 0.25 -4.72 119.66 115.49 1ijk s GLN 122 Ca 0.00 1.78 -0.06 0.00 0.05 0.00 0.00 55.36 57.13 1ijk s GLN 122 Cb 0.04 -1.94 -0.01 0.00 1.10 0.00 0.00 33.01 32.19 1ijk s GLN 122 CO 0.13 -1.16 0.04 0.15 -0.55 0.00 0.00 175.29 173.90 1ijk s LYS 123 N -3.35 3.43 0.12 1.67 1.02 -1.26 -3.56 119.74 117.81 1ijk s LYS 123 Ca 0.76 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 56.14 1ijk s LYS 123 Cb -0.29 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 1ijk s LYS 123 CO 0.32 -0.26 0.01 -0.80 -0.92 0.00 0.00 175.35 173.70 1ijk s ASN 124 N 1.55 0.72 1.00 2.83 0.01 -0.09 -4.65 114.94 116.30 1ijk s ASN 124 Ca 0.05 -1.13 -0.15 0.00 -0.71 0.00 0.00 52.86 50.92 1ijk s ASN 124 Cb -0.15 0.20 0.19 0.00 0.41 0.00 0.00 41.25 41.90 1ijk s ASN 124 CO 0.01 -0.62 1.19 -2.16 -1.51 0.00 0.00 177.10 174.01 1ijk s PRO 125 N -3.96 0.42 0.29 -0.60 0.04 -1.25 -1.41 135.00 128.53 1ijk s PRO 125 Ca 0.19 -0.02 -0.14 0.00 0.04 0.00 0.00 61.00 61.08 1ijk s PRO 125 Cb 0.07 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.84 1ijk s PRO 125 CO -0.01 -2.63 0.58 -0.59 0.04 0.00 0.00 177.00 174.40 1ijk s PHE 126 N -3.41 0.31 -0.10 0.56 -0.71 -0.90 -1.82 117.98 111.91 1ijk s PHE 126 Ca 0.69 -0.72 0.03 0.00 -1.04 0.00 0.00 56.93 55.89 1ijk s PHE 126 Cb -0.10 0.36 -0.00 0.00 -1.21 0.00 0.00 43.02 42.07 1ijk s PHE 126 CO 0.54 -1.16 -0.22 0.08 -1.34 0.00 0.00 175.22 173.12 1ijk s VAL 127 N -3.59 2.25 0.15 -2.49 1.01 -1.20 -0.88 120.40 115.63 1ijk s VAL 127 Ca 0.20 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.26 1ijk s VAL 127 Cb -0.02 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1ijk s VAL 127 CO 0.11 0.55 0.17 0.00 0.00 0.00 0.00 175.10 175.93 1ijk s LYS 129 N -3.03 0.09 0.03 0.00 2.20 0.19 -1.89 119.74 117.34 1ijk s LYS 129 Ca 0.32 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.50 1ijk s LYS 129 Cb -0.11 -0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.01 1ijk s LYS 129 CO 0.25 -0.26 -0.04 -1.54 -0.36 0.00 0.00 175.35 173.40 1ijk s SER 130 N 1.98 0.44 0.40 1.43 1.04 -0.94 0.28 113.70 118.34 1ijk s SER 130 Ca -0.01 -0.62 -0.23 0.00 0.48 0.00 0.00 55.95 55.57 1ijk s SER 130 Cb -0.12 0.10 -0.10 0.00 0.10 0.00 0.00 66.02 66.01 1ijk s SER 130 CO -0.07 -0.34 0.99 -2.16 0.98 0.00 0.00 173.24 172.65 1ijk s PRO 131 N -2.01 4.25 -0.11 4.02 0.04 -1.26 -1.52 135.00 138.41 1ijk s PRO 131 Ca -0.10 1.34 -0.38 0.00 0.04 0.00 0.00 61.00 61.90 1ijk s PRO 131 Cb -0.06 -2.46 -0.16 0.00 0.04 0.00 0.00 34.50 31.86 1ijk s PRO 131 CO -0.02 -0.03 1.61 -0.35 0.04 0.00 0.00 177.00 178.24 1ijk n PRO 132 N -0.17 1.29 0.00 0.56 -0.04 -1.26 -4.85 135.00 130.53 1ijk n PRO 132 Ca 0.05 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 1ijk n PRO 132 Cb 0.51 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 1ijk n PRO 132 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11