#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ink h THR 7 N 0.00 1.39 -0.28 6.66 2.02 -2.01 -1.94 112.91 118.75 3ink h THR 7 Ca 0.00 -1.90 -0.19 0.00 0.77 0.00 0.00 66.41 65.09 3ink h THR 7 Cb 0.00 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 3ink h THR 7 CO 0.00 0.54 -0.56 0.50 0.37 0.00 0.00 175.52 176.37 3ink h LYS 8 N 0.00 0.86 -0.88 6.66 1.63 -1.99 -0.37 116.57 122.48 3ink h LYS 8 Ca -0.01 -0.55 -0.01 0.00 -0.85 0.00 0.00 60.65 59.23 3ink h LYS 8 Cb 0.98 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.64 3ink h LYS 8 CO 0.07 1.18 0.51 -0.22 -3.45 0.00 0.00 179.45 177.55 3ink h LYS 9 N 0.65 1.20 -0.35 1.90 3.64 -1.80 -0.16 116.57 121.65 3ink h LYS 9 Ca 0.01 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.19 3ink h LYS 9 Cb 1.17 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 3ink h LYS 9 CO 0.12 0.86 -0.10 1.15 -2.27 0.00 0.00 179.45 179.20 3ink h THR 10 N 1.22 1.28 -0.13 1.00 2.02 -1.22 -0.08 112.91 116.99 3ink h THR 10 Ca 0.31 -1.18 0.04 0.00 0.77 0.00 0.00 66.41 66.35 3ink h THR 10 Cb -0.02 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 3ink h THR 10 CO -0.06 0.39 -0.11 -0.61 0.37 0.00 0.00 175.52 175.50 3ink h GLN 11 N 0.48 -0.12 -0.71 6.66 4.15 -0.55 -0.75 115.11 124.27 3ink h GLN 11 Ca 0.09 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 3ink h GLN 11 Cb 0.62 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.30 3ink h GLN 11 CO 0.04 -0.08 0.34 -0.07 -1.93 0.00 0.00 178.83 177.13 3ink h LEU 12 N -0.13 0.93 -0.51 -2.39 4.07 -0.86 0.14 115.31 116.55 3ink h LEU 12 Ca 0.09 -0.13 -0.16 0.00 0.08 0.00 0.00 57.88 57.76 3ink h LEU 12 Cb 0.26 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 3ink h LEU 12 CO -0.21 0.80 -0.74 1.56 -1.08 0.00 0.00 178.44 178.77 3ink h GLN 13 N 0.99 0.08 -0.16 1.13 4.20 -0.37 -3.07 115.11 117.91 3ink h GLN 13 Ca 0.24 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 3ink h GLN 13 Cb 0.11 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3ink h GLN 13 CO -0.03 0.78 -0.19 1.25 -0.67 0.00 0.00 178.83 179.97 3ink h LEU 14 N 0.05 0.44 -2.07 1.46 5.85 -0.83 -1.11 115.31 119.09 3ink h LEU 14 Ca -0.01 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 3ink h LEU 14 Cb 1.30 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 3ink h LEU 14 CO 0.10 0.85 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.66 3ink h GLU 15 N 0.03 0.00 0.00 1.25 5.08 -1.03 -1.67 114.58 118.25 3ink h GLU 15 Ca 0.02 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3ink h GLU 15 Cb 0.74 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.00 3ink h GLU 15 CO 0.05 0.06 -0.34 1.25 -1.00 0.00 0.00 179.01 179.03 3ink h HIS 16 N 0.00 0.34 0.28 4.33 2.76 -1.42 -2.97 115.15 118.46 3ink h HIS 16 Ca -0.00 -0.19 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 3ink h HIS 16 Cb 0.13 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 3ink h HIS 16 CO 0.00 1.00 -0.30 1.25 -1.30 0.00 0.00 177.93 178.58 3ink h LEU 17 N -0.42 -0.82 -0.81 0.26 5.85 -0.44 -1.71 115.31 117.23 3ink h LEU 17 Ca -0.04 0.08 0.19 0.00 0.84 0.00 0.00 57.88 58.94 3ink h LEU 17 Cb 1.10 0.28 -0.12 0.00 0.37 0.00 0.00 40.66 42.29 3ink h LEU 17 CO 0.07 -0.43 0.25 0.25 -0.34 0.00 0.00 178.44 178.24 3ink h LEU 18 N -0.62 0.11 -0.37 2.25 5.85 -1.43 0.31 115.31 121.40 3ink h LEU 18 Ca -0.01 0.16 -0.18 0.00 0.84 0.00 0.00 57.88 58.69 3ink h LEU 18 Cb 0.58 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 3ink h LEU 18 CO -0.07 -0.04 -0.61 0.25 -0.34 0.00 0.00 178.44 177.62 3ink h LEU 19 N 0.30 0.77 -0.86 2.25 7.12 -1.29 -1.02 115.31 122.58 3ink h LEU 19 Ca 0.48 -0.44 -0.02 0.00 0.13 0.00 0.00 57.88 58.03 3ink h LEU 19 Cb 0.87 -0.22 -0.04 0.00 -0.53 0.00 0.00 40.66 40.74 3ink h LEU 19 CO -0.54 1.20 0.44 0.44 -0.13 0.00 0.00 178.44 179.85 3ink h ASP 20 N 0.50 1.10 -0.52 1.25 3.32 0.38 -0.83 116.42 121.63 3ink h ASP 20 Ca -0.01 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 3ink h ASP 20 Cb 1.20 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 3ink h ASP 20 CO 0.12 0.91 0.15 0.25 -1.72 0.00 0.00 179.24 178.95 3ink h LEU 21 N 1.21 0.76 -0.58 1.55 5.85 -0.35 -2.17 115.31 121.58 3ink h LEU 21 Ca 0.30 -0.21 -0.15 0.00 0.84 0.00 0.00 57.88 58.65 3ink h LEU 21 Cb 0.08 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3ink h LEU 21 CO -0.04 0.77 -0.71 1.56 -0.34 0.00 0.00 178.44 179.68 3ink h GLN 22 N 0.71 0.04 -0.02 1.25 4.20 -0.98 -2.26 115.11 118.05 3ink h GLN 22 Ca 0.17 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 3ink h GLN 22 Cb 0.29 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3ink h GLN 22 CO -0.00 0.73 -0.40 0.52 -0.67 0.00 0.00 178.83 179.01 3ink h MET 23 N 0.03 0.03 -0.04 1.46 2.86 -0.73 0.10 114.93 118.63 3ink h MET 23 Ca -0.01 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.49 3ink h MET 23 Cb 1.25 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.92 3ink h MET 23 CO 0.10 0.43 -0.45 0.82 1.06 0.00 0.00 176.91 178.86 3ink h ILE 24 N 0.03 1.43 -0.77 -1.22 2.04 -1.21 -2.65 117.51 115.15 3ink h ILE 24 Ca -0.00 -1.90 0.10 0.00 1.00 0.00 0.00 64.86 64.06 3ink h ILE 24 Cb 0.72 2.44 -0.05 0.00 -0.74 0.00 0.00 36.82 39.19 3ink h ILE 24 CO 0.05 0.55 0.50 0.25 0.00 0.00 0.00 178.15 179.51 3ink h LEU 25 N -0.11 0.60 -0.61 1.44 5.85 -0.97 -0.80 115.31 120.70 3ink h LEU 25 Ca -0.04 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.54 3ink h LEU 25 Cb 1.13 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3ink h LEU 25 CO 0.09 0.35 -0.62 0.78 -0.34 0.00 0.00 178.44 178.70 3ink h ASN 26 N 0.66 0.29 0.55 1.25 4.21 -0.90 -0.06 115.58 121.59 3ink h ASN 26 Ca 0.36 -0.17 -0.15 0.00 1.21 0.00 0.00 56.30 57.54 3ink h ASN 26 Cb 0.49 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.59 3ink h ASN 26 CO -0.13 0.84 -0.67 1.23 -1.29 0.00 0.00 177.43 177.41 3ink h GLY 27 N 1.47 0.11 0.01 2.83 0.00 -0.81 -3.35 103.07 103.34 3ink h GLY 27 Ca -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 3ink h GLY 27 CO 0.10 0.14 -0.01 -2.22 0.00 0.00 0.00 176.54 174.55 3ink h ILE 28 N 0.07 0.00 0.00 2.60 2.04 -1.22 -3.43 117.51 117.58 3ink h ILE 28 Ca -0.01 -0.21 -0.16 0.00 1.00 0.00 0.00 64.86 65.48 3ink h ILE 28 Cb 1.19 0.00 0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3ink h ILE 28 CO 0.09 0.00 1.43 -3.20 0.00 0.00 0.00 178.15 176.47 3ink n ASN 29 N -2.63 1.25 -3.61 1.72 5.15 -0.05 -4.73 115.26 112.37 3ink n ASN 29 Ca -0.00 -2.14 -0.14 0.00 -0.60 0.00 0.00 54.58 51.70 3ink n ASN 29 Cb 0.01 -0.65 -0.06 0.00 -0.53 0.00 0.00 39.78 38.55 3ink n ASN 29 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3ink s ASN 30 N 4.83 -0.41 0.00 1.20 2.20 -1.26 -4.88 114.94 116.62 3ink s ASN 30 Ca 0.17 0.20 0.08 0.00 -0.94 0.00 0.00 52.86 52.37 3ink s ASN 30 Cb 0.04 0.46 0.38 0.00 -2.00 0.00 0.00 41.25 40.13 3ink s ASN 30 CO 0.03 -0.66 1.23 -1.22 -2.94 0.00 0.00 177.10 173.53 3ink n TYR 31 N 0.60 0.00 1.21 1.54 4.01 -1.26 -1.44 117.16 121.81 3ink n TYR 31 Ca -0.19 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.67 3ink n TYR 31 Cb 0.59 -0.43 0.39 0.00 -0.31 0.00 0.00 39.34 39.58 3ink n TYR 31 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3ink n LYS 32 N -1.43 1.80 -3.62 -0.72 4.81 -1.26 -4.65 118.16 113.09 3ink n LYS 32 Ca 0.03 -1.19 -0.39 0.00 -0.87 0.00 0.00 58.31 55.88 3ink n LYS 32 Cb 0.09 -1.43 -0.09 0.00 0.02 0.00 0.00 35.03 33.62 3ink n LYS 32 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3ink s ASN 33 N -1.68 5.60 0.00 3.14 2.47 -0.52 -4.90 114.94 119.04 3ink s ASN 33 Ca 0.34 -2.18 0.11 0.00 0.42 0.00 0.00 52.86 51.55 3ink s ASN 33 Cb 0.19 -1.96 0.66 0.00 -1.45 0.00 0.00 41.25 38.69 3ink s ASN 33 CO 0.28 -0.59 1.33 -0.81 -3.72 0.00 0.00 177.10 173.60 3ink n PRO 34 N 4.50 0.89 -0.07 0.43 -0.04 -1.26 -2.28 135.00 137.16 3ink n PRO 34 Ca -0.02 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.51 3ink n PRO 34 Cb 0.41 -1.20 0.11 0.00 -0.04 0.00 0.00 33.50 32.78 3ink n PRO 34 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3ink n LYS 35 N -0.70 1.62 -0.21 0.54 4.76 -1.26 -4.76 118.16 118.15 3ink n LYS 35 Ca 0.08 -1.65 -0.02 0.00 -2.87 0.00 0.00 58.31 53.85 3ink n LYS 35 Cb 0.04 -1.31 0.05 0.00 -1.84 0.00 0.00 35.03 31.97 3ink n LYS 35 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3ink h LEU 36 N 2.83 -0.79 -1.60 -0.35 5.85 -1.80 -1.78 115.31 117.67 3ink h LEU 36 Ca 0.00 0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 3ink h LEU 36 Cb 0.68 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 3ink h LEU 36 CO 0.00 -0.25 0.06 0.71 -0.34 0.00 0.00 178.44 178.62 3ink h THR 37 N -0.06 1.11 0.13 1.05 1.35 -1.87 -1.77 112.91 112.85 3ink h THR 37 Ca 0.29 -0.38 -0.17 0.00 -0.55 0.00 0.00 66.41 65.59 3ink h THR 37 Cb 0.51 0.87 0.02 0.00 -1.73 0.00 0.00 68.15 67.82 3ink h THR 37 CO -0.67 0.14 -0.75 0.08 -0.25 0.00 0.00 175.52 174.06 3ink h ARG 38 N 0.32 0.27 0.00 4.72 -0.00 -1.80 -3.04 114.38 114.86 3ink h ARG 38 Ca 0.08 -0.47 0.00 0.00 -0.00 0.00 0.00 59.98 59.59 3ink h ARG 38 Cb 0.12 0.17 0.00 0.00 -0.00 0.00 0.00 29.97 30.26 3ink h ARG 38 CO -0.00 1.22 0.00 0.52 -0.00 0.00 0.00 179.97 181.71 3ink h MET 39 N -0.43 0.00 0.00 0.08 2.86 -0.84 -0.94 114.93 115.66 3ink h MET 39 Ca -0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3ink h MET 39 Cb 1.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.25 3ink h MET 39 CO 0.14 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.39 3ink n LEU 40 N -2.75 0.00 -0.10 1.22 4.32 -0.71 -3.12 117.00 115.86 3ink n LEU 40 Ca -0.01 0.49 0.12 0.00 -0.02 0.00 0.00 56.01 56.59 3ink n LEU 40 Cb 0.14 -0.49 0.31 0.00 -1.62 0.00 0.00 43.42 41.77 3ink n LEU 40 CO 0.19 -0.03 0.55 0.35 -1.22 0.00 0.00 177.39 177.23 3ink n THR 41 N -1.49 0.00 -3.02 -5.08 -2.24 -0.36 -4.80 114.28 97.30 3ink n THR 41 Ca 0.07 -0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.40 3ink n THR 41 Cb 0.31 0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 3ink n THR 41 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3ink s PHE 42 N -2.78 3.61 0.15 4.78 0.40 -1.18 -5.02 117.98 117.94 3ink s PHE 42 Ca 0.17 1.32 -0.30 0.00 -0.60 0.00 0.00 56.93 57.52 3ink s PHE 42 Cb 0.18 -2.82 -0.07 0.00 0.51 0.00 0.00 43.02 40.82 3ink s PHE 42 CO 0.62 0.12 1.09 0.15 0.70 0.00 0.00 175.22 177.90 3ink s LYS 43 N 0.64 4.59 0.01 0.44 1.02 -1.26 -4.09 119.74 121.09 3ink s LYS 43 Ca 0.39 1.68 0.02 0.00 0.02 0.00 0.00 55.97 58.07 3ink s LYS 43 Cb -0.18 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.81 3ink s LYS 43 CO 0.20 0.06 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.57 3ink s PHE 44 N -0.05 0.48 -0.03 3.18 0.08 0.12 -4.92 117.98 116.84 3ink s PHE 44 Ca 0.50 -0.21 -0.15 0.00 0.12 0.00 0.00 56.93 57.18 3ink s PHE 44 Cb -0.28 -0.30 -0.05 0.00 -0.57 0.00 0.00 43.02 41.81 3ink s PHE 44 CO 0.33 -0.04 0.42 0.71 -0.10 0.00 0.00 175.22 176.55 3ink s TYR 45 N -0.52 3.67 0.06 0.36 2.02 -1.26 -0.66 117.35 121.02 3ink s TYR 45 Ca -0.02 0.95 0.01 0.00 -0.37 0.00 0.00 57.07 57.64 3ink s TYR 45 Cb -0.04 -2.35 -0.04 0.00 -0.40 0.00 0.00 41.96 39.12 3ink s TYR 45 CO -0.00 0.52 0.16 -1.64 -1.57 0.00 0.00 175.55 173.02 3ink s MET 46 N -0.62 3.26 0.44 -0.62 -1.94 -1.26 -4.98 119.30 113.58 3ink s MET 46 Ca 0.24 -0.51 -0.16 0.00 -1.71 0.00 0.00 55.69 53.56 3ink s MET 46 Cb -0.16 -2.94 -0.08 0.00 2.01 0.00 0.00 34.83 33.65 3ink s MET 46 CO 0.12 0.60 0.88 -1.25 -0.01 0.00 0.00 175.02 175.37 3ink s PRO 47 N -2.40 3.97 0.23 2.03 0.04 -1.26 -2.36 135.00 135.25 3ink s PRO 47 Ca 0.32 0.81 -0.08 0.00 0.04 0.00 0.00 61.00 62.10 3ink s PRO 47 Cb -0.13 -2.26 0.22 0.00 0.04 0.00 0.00 34.50 32.38 3ink s PRO 47 CO 0.25 -0.09 1.91 -0.22 0.04 0.00 0.00 177.00 178.89 3ink h LYS 48 N 1.42 1.20 -2.07 4.56 3.64 -0.13 -3.43 116.57 121.76 3ink h LYS 48 Ca -0.47 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 58.78 3ink h LYS 48 Cb 1.18 -0.27 -0.21 0.00 -0.41 0.00 0.00 32.23 32.53 3ink h LYS 48 CO 0.63 0.79 0.11 -1.59 -2.27 0.00 0.00 179.45 177.12 3ink s LYS 49 N -6.13 0.87 -0.42 1.90 -2.85 -1.26 -5.03 119.74 106.83 3ink s LYS 49 Ca -0.13 0.76 0.02 0.00 -1.00 0.00 0.00 55.97 55.62 3ink s LYS 49 Cb 0.17 0.42 0.14 0.00 -2.06 0.00 0.00 37.83 36.50 3ink s LYS 49 CO 0.80 -0.16 0.23 0.00 0.10 0.00 0.00 175.35 176.33 3ink s ALA 50 N -0.06 1.80 -0.17 0.59 0.00 -1.26 -4.92 121.76 117.74 3ink s ALA 50 Ca -0.03 -2.39 0.13 0.00 0.00 0.00 0.00 51.96 49.67 3ink s ALA 50 Cb -0.04 -1.80 -0.19 0.00 0.00 0.00 0.00 23.12 21.09 3ink s ALA 50 CO 0.03 -2.07 0.36 0.25 0.00 0.00 0.00 175.76 174.33 3ink n THR 51 N 3.66 0.00 -4.17 0.00 -2.24 -1.26 -4.95 114.28 105.32 3ink n THR 51 Ca 0.10 -0.28 -0.15 0.00 -2.27 0.00 0.00 64.05 61.46 3ink n THR 51 Cb 0.36 0.40 -0.07 0.00 -2.10 0.00 0.00 70.33 68.92 3ink n THR 51 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ink s GLU 52 N -2.75 1.63 0.43 -0.78 2.02 -1.26 -5.04 118.70 112.95 3ink s GLU 52 Ca -0.02 -1.74 0.23 0.00 0.02 0.00 0.00 54.97 53.45 3ink s GLU 52 Cb 0.09 0.37 0.93 0.00 0.10 0.00 0.00 34.13 35.61 3ink s GLU 52 CO 0.55 -0.63 1.84 -0.07 0.02 0.00 0.00 175.26 176.97 3ink h LEU 53 N 2.27 0.00 -1.80 1.80 3.38 -1.98 -2.52 115.31 116.46 3ink h LEU 53 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3ink h LEU 53 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3ink h LEU 53 CO 0.41 0.25 0.00 0.07 0.09 0.00 0.00 178.44 179.27 3ink h LYS 54 N 0.00 0.00 0.00 1.13 2.10 -1.91 -1.75 116.57 116.14 3ink h LYS 54 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3ink h LYS 54 Cb 0.72 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 3ink h LYS 54 CO 0.03 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.20 3ink n HIS 55 N -3.06 0.00 1.92 0.07 8.25 -0.95 -2.82 115.22 118.64 3ink n HIS 55 Ca -0.00 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.60 3ink n HIS 55 Cb 0.25 0.00 0.83 0.00 1.12 0.00 0.00 29.99 32.19 3ink n HIS 55 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ink n LEU 56 N -0.69 0.21 -0.17 2.41 4.77 -0.66 -2.85 117.00 120.02 3ink n LEU 56 Ca 0.06 -0.07 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 3ink n LEU 56 Cb 0.03 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3ink n LEU 56 CO 0.04 0.04 0.71 -0.61 -1.33 0.00 0.00 177.39 176.24 3ink h GLN 57 N 0.33 1.01 0.00 3.23 -0.00 -1.78 -1.93 115.11 115.96 3ink h GLN 57 Ca 0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 58.65 58.25 3ink h GLN 57 Cb 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 27.50 3ink h GLN 57 CO 0.00 1.08 0.00 0.00 0.00 0.00 0.00 178.83 179.91 3ink n LEU 59 N -0.94 0.62 -0.28 0.00 7.94 -1.13 -4.42 117.00 118.78 3ink n LEU 59 Ca 0.11 0.07 0.10 0.00 -1.11 0.00 0.00 56.01 55.18 3ink n LEU 59 Cb 0.05 -0.19 0.25 0.00 0.53 0.00 0.00 43.42 44.06 3ink n LEU 59 CO 0.08 0.16 0.99 -0.08 -1.11 0.00 0.00 177.39 177.43 3ink h GLU 60 N -0.21 0.32 -0.35 1.96 4.81 -0.87 -0.26 114.58 119.98 3ink h GLU 60 Ca -0.16 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 58.98 3ink h GLU 60 Cb 1.15 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 3ink h GLU 60 CO -0.09 0.21 -0.09 0.93 -0.73 0.00 0.00 179.01 179.23 3ink h GLU 61 N 0.33 0.60 -0.00 1.92 5.08 -1.53 -3.00 114.58 117.99 3ink h GLU 61 Ca 0.50 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3ink h GLU 61 Cb 0.92 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3ink h GLU 61 CO -0.54 0.69 -0.14 0.39 -1.00 0.00 0.00 179.01 178.41 3ink n GLU 62 N -4.20 0.27 -0.09 2.33 -0.58 -0.16 -4.27 120.64 113.95 3ink n GLU 62 Ca 0.01 -0.08 0.02 0.00 -0.42 0.00 0.00 57.16 56.70 3ink n GLU 62 Cb 0.32 -1.50 0.34 0.00 -0.57 0.00 0.00 31.44 30.04 3ink n GLU 62 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3ink h LEU 63 N 0.19 0.64 0.00 -4.62 4.07 -1.28 -1.30 115.31 113.01 3ink h LEU 63 Ca 0.00 -0.02 -0.22 0.00 0.08 0.00 0.00 57.88 57.72 3ink h LEU 63 Cb 0.43 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.98 3ink h LEU 63 CO 0.00 0.47 -1.11 0.07 -1.08 0.00 0.00 178.44 176.79 3ink h LYS 64 N 0.76 0.00 -0.12 1.13 5.09 -1.80 -1.42 116.57 120.21 3ink h LYS 64 Ca 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.94 3ink h LYS 64 Cb -0.08 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.24 3ink h LYS 64 CO -0.04 0.88 0.06 -1.35 -2.09 0.00 0.00 179.45 176.91 3ink h PRO 65 N 0.00 0.16 -0.95 0.07 0.11 -1.79 -3.01 132.00 126.60 3ink h PRO 65 Ca -0.06 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 66.13 3ink h PRO 65 Cb 1.80 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.80 3ink h PRO 65 CO 0.12 0.20 0.58 1.25 -0.21 0.00 0.00 178.00 179.94 3ink h LEU 66 N 0.09 0.86 -0.39 2.35 6.46 -1.10 -1.21 115.31 122.36 3ink h LEU 66 Ca 0.04 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.82 3ink h LEU 66 Cb 0.08 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 3ink h LEU 66 CO -0.01 0.48 0.14 -0.08 -0.62 0.00 0.00 178.44 178.36 3ink h GLU 67 N 0.95 0.59 -0.58 1.25 4.81 -1.27 -2.12 114.58 118.21 3ink h GLU 67 Ca 0.46 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 3ink h GLU 67 Cb 0.41 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 3ink h GLU 67 CO -0.25 0.58 0.24 1.49 -0.73 0.00 0.00 179.01 180.33 3ink h GLU 68 N 0.48 0.87 -0.36 1.92 4.81 -1.17 -2.21 114.58 118.93 3ink h GLU 68 Ca 0.13 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 3ink h GLU 68 Cb 0.22 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3ink h GLU 68 CO -0.01 0.74 -0.36 0.28 -0.73 0.00 0.00 179.01 178.93 3ink h VAL 69 N 0.80 1.28 0.00 0.32 2.07 -1.22 -1.57 116.25 117.93 3ink h VAL 69 Ca 0.19 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.19 3ink h VAL 69 Cb 0.19 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3ink h VAL 69 CO -0.02 0.50 0.14 -0.07 0.02 0.00 0.00 177.57 178.15 3ink h LEU 70 N 0.68 0.00 -0.91 2.57 3.38 -0.75 0.12 115.31 120.40 3ink h LEU 70 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3ink h LEU 70 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3ink h LEU 70 CO 0.08 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.20 3ink n ASN 71 N -2.60 0.60 0.14 -0.43 3.02 -0.59 -0.83 115.26 114.58 3ink n ASN 71 Ca -0.02 0.69 0.06 0.00 -0.03 0.00 0.00 54.58 55.28 3ink n ASN 71 Cb 0.19 -0.80 0.05 0.00 -0.61 0.00 0.00 39.78 38.60 3ink n ASN 71 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3ink h LEU 72 N 0.00 0.00 -9.99 3.41 3.38 -0.92 -3.46 115.31 107.72 3ink h LEU 72 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 3ink h LEU 72 Cb 0.23 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.01 3ink h LEU 72 CO 0.00 0.31 0.41 0.00 0.09 0.00 0.00 178.44 179.25 3ink s ALA 73 N -3.07 3.02 -0.51 1.53 0.00 -0.01 -4.71 121.76 118.01 3ink s ALA 73 Ca 0.03 0.69 -0.26 0.00 0.00 0.00 0.00 51.96 52.43 3ink s ALA 73 Cb 0.07 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.95 3ink s ALA 73 CO 0.74 -0.27 0.99 -0.65 0.00 0.00 0.00 175.76 176.56 3ink s GLN 74 N -2.71 3.47 0.62 0.00 1.11 -1.26 -4.90 119.66 115.99 3ink s GLN 74 Ca 0.61 0.06 0.24 0.00 0.01 0.00 0.00 55.36 56.28 3ink s GLN 74 Cb -0.21 -3.98 1.09 0.00 -1.01 0.00 0.00 33.01 28.90 3ink s GLN 74 CO 0.26 -1.39 1.55 0.66 0.01 0.00 0.00 175.29 176.38 3ink h SER 75 N 9.24 0.00 1.04 5.90 4.64 -1.93 -2.45 113.55 129.98 3ink h SER 75 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3ink h SER 75 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3ink h SER 75 CO 1.08 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 177.15 3ink h LYS 76 N 0.00 0.00 -0.00 4.77 6.56 -1.98 -2.74 116.57 123.17 3ink h LYS 76 Ca 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.86 3ink h LYS 76 Cb 1.90 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.56 3ink h LYS 76 CO -0.00 0.00 -0.08 0.09 -2.06 0.00 0.00 179.45 177.39 3ink n ASN 77 N -2.64 0.40 -4.82 0.86 3.02 -0.92 -4.84 115.26 106.32 3ink n ASN 77 Ca 0.02 -0.57 -0.38 0.00 -0.03 0.00 0.00 54.58 53.62 3ink n ASN 77 Cb 0.31 -0.10 -0.06 0.00 -0.61 0.00 0.00 39.78 39.32 3ink n ASN 77 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3ink s PHE 78 N -2.44 3.67 0.31 3.10 0.08 -1.04 -4.17 117.98 117.49 3ink s PHE 78 Ca 0.30 0.90 0.02 0.00 0.12 0.00 0.00 56.93 58.27 3ink s PHE 78 Cb 0.20 -2.29 0.49 0.00 -0.57 0.00 0.00 43.02 40.86 3ink s PHE 78 CO 0.46 0.56 1.83 1.25 -0.10 0.00 0.00 175.22 179.23 3ink h HIS 79 N 5.14 0.67 -3.65 0.36 -0.00 -1.88 -3.43 115.15 112.36 3ink h HIS 79 Ca -0.50 -0.07 -0.42 0.00 -0.00 0.00 0.00 60.37 59.38 3ink h HIS 79 Cb 1.21 -0.19 -0.19 0.00 -0.00 0.00 0.00 27.41 28.24 3ink h HIS 79 CO 0.69 0.63 -0.76 -0.51 -0.00 0.00 0.00 177.93 177.98 3ink s LEU 80 N -9.12 2.38 0.00 0.26 1.02 -1.26 -5.10 118.68 106.86 3ink s LEU 80 Ca -0.08 -0.78 -0.38 0.00 0.02 0.00 0.00 54.13 52.90 3ink s LEU 80 Cb 0.15 -0.55 -0.18 0.00 0.02 0.00 0.00 46.19 45.63 3ink s LEU 80 CO 0.78 -0.13 1.30 0.54 0.02 0.00 0.00 176.35 178.86 3ink n ARG 81 N 0.66 0.74 -0.26 1.70 1.74 -1.26 -4.76 116.66 115.23 3ink n ARG 81 Ca -0.16 0.27 0.24 0.00 -0.77 0.00 0.00 57.85 57.42 3ink n ARG 81 Cb 0.56 -1.86 0.44 0.00 -1.02 0.00 0.00 32.46 30.58 3ink n ARG 81 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3ink n PRO 82 N 2.49 -0.05 0.08 5.56 -0.02 -1.26 -1.43 135.00 140.37 3ink n PRO 82 Ca 0.20 1.10 -0.12 0.00 -2.02 0.00 0.00 63.50 62.67 3ink n PRO 82 Cb 0.14 -1.95 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 3ink n PRO 82 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3ink h ARG 83 N 0.00 -0.33 -0.38 -0.52 1.12 -1.99 0.61 114.38 112.89 3ink h ARG 83 Ca 0.65 0.02 0.06 0.00 -1.11 0.00 0.00 59.98 59.60 3ink h ARG 83 Cb 1.68 0.08 -0.05 0.00 -0.01 0.00 0.00 29.97 31.67 3ink h ARG 83 CO -0.62 -0.22 0.09 -0.44 -3.11 0.00 0.00 179.97 175.66 3ink h ASP 84 N -0.34 0.03 -0.49 -3.80 5.19 -1.58 0.17 116.42 115.60 3ink h ASP 84 Ca 0.04 0.06 0.06 0.00 -0.62 0.00 0.00 57.03 56.57 3ink h ASP 84 Cb 0.39 0.08 -0.05 0.00 0.18 0.00 0.00 39.33 39.93 3ink h ASP 84 CO -0.15 0.05 0.21 -0.07 -3.12 0.00 0.00 179.24 176.16 3ink h LEU 85 N 0.22 0.25 -0.63 1.55 -0.00 -1.06 0.66 115.31 116.31 3ink h LEU 85 Ca 0.18 0.05 -0.08 0.00 -0.00 0.00 0.00 57.88 58.02 3ink h LEU 85 Cb 0.20 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.85 3ink h LEU 85 CO -0.23 0.18 0.07 0.40 -0.00 0.00 0.00 178.44 178.86 3ink h ILE 86 N 0.41 1.26 -0.35 1.22 1.08 0.27 -1.70 117.51 119.70 3ink h ILE 86 Ca 0.23 -1.06 -0.07 0.00 -0.39 0.00 0.00 64.86 63.57 3ink h ILE 86 Cb 0.20 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 34.66 3ink h ILE 86 CO -0.20 0.39 -0.04 0.28 -0.69 0.00 0.00 178.15 177.89 3ink h SER 87 N 0.97 0.63 -0.01 1.72 0.02 -0.01 -1.24 113.55 115.63 3ink h SER 87 Ca 0.19 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3ink h SER 87 Cb 0.48 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 3ink h SER 87 CO 0.02 0.82 0.00 0.78 -1.14 0.00 0.00 176.83 177.31 3ink h ASN 88 N 0.44 0.01 -0.77 3.07 2.35 -0.67 -0.33 115.58 119.67 3ink h ASN 88 Ca 0.09 -0.16 0.14 0.00 -0.55 0.00 0.00 56.30 55.82 3ink h ASN 88 Cb 0.52 -0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.83 3ink h ASN 88 CO 0.03 0.17 0.51 0.40 -1.65 0.00 0.00 177.43 176.89 3ink h ILE 89 N -0.15 0.82 0.06 2.81 2.04 -1.26 -0.31 117.51 121.51 3ink h ILE 89 Ca 0.00 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 3ink h ILE 89 Cb 0.16 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3ink h ILE 89 CO -0.00 0.09 -0.03 0.78 0.00 0.00 0.00 178.15 178.99 3ink h ASN 90 N 0.48 -0.07 0.15 1.72 2.35 0.11 -0.59 115.58 119.74 3ink h ASN 90 Ca 0.38 -0.56 -0.06 0.00 -0.55 0.00 0.00 56.30 55.51 3ink h ASN 90 Cb 0.78 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 3ink h ASN 90 CO -0.13 0.57 -0.22 1.62 -1.65 0.00 0.00 177.43 177.62 3ink h VAL 91 N -0.76 1.20 -0.09 2.81 3.04 -0.68 -1.09 116.25 120.69 3ink h VAL 91 Ca -0.01 -0.91 -0.18 0.00 -1.01 0.00 0.00 66.70 64.60 3ink h VAL 91 Cb 0.62 1.38 -0.01 0.00 -2.01 0.00 0.00 31.29 31.27 3ink h VAL 91 CO 0.01 0.27 -0.69 0.40 -1.01 0.00 0.00 177.57 176.55 3ink h ILE 92 N 0.12 1.37 -0.02 3.17 2.04 -1.00 0.04 117.51 123.23 3ink h ILE 92 Ca 0.02 -2.08 -0.11 0.00 1.00 0.00 0.00 64.86 63.69 3ink h ILE 92 Cb 0.46 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 3ink h ILE 92 CO 0.03 0.63 -0.50 0.58 0.00 0.00 0.00 178.15 178.88 3ink h VAL 93 N 0.28 1.36 0.40 1.67 2.07 -0.46 -0.03 116.25 121.54 3ink h VAL 93 Ca -0.02 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 65.75 3ink h VAL 93 Cb 1.25 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 3ink h VAL 93 CO 0.12 0.50 -0.19 -0.07 0.02 0.00 0.00 177.57 177.94 3ink h LEU 94 N 0.03 -0.46 -0.82 2.57 -0.00 -0.72 -2.75 115.31 113.17 3ink h LEU 94 Ca -0.00 -0.12 0.14 0.00 -0.00 0.00 0.00 57.88 57.90 3ink h LEU 94 Cb 0.90 0.12 -0.09 0.00 -0.00 0.00 0.00 40.66 41.59 3ink h LEU 94 CO 0.07 -0.08 0.41 -0.33 -0.00 0.00 0.00 178.44 178.50 3ink h GLU 95 N -0.89 0.57 0.00 1.13 5.08 -0.84 -3.32 114.58 116.31 3ink h GLU 95 Ca -0.06 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.13 3ink h GLU 95 Cb 0.55 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3ink h GLU 95 CO 0.09 0.38 -0.91 1.25 -1.00 0.00 0.00 179.01 178.82 3ink h LEU 96 N 0.59 0.00 -9.67 1.33 5.85 -0.93 -3.47 115.31 109.00 3ink h LEU 96 Ca 0.45 0.00 -0.57 0.00 0.84 0.00 0.00 57.88 58.59 3ink h LEU 96 Cb 0.63 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 3ink h LEU 96 CO -0.36 0.59 -0.04 -1.59 -0.34 0.00 0.00 178.44 176.70 3ink s LYS 97 N -2.91 4.21 0.00 1.25 0.00 -1.04 -4.88 119.74 116.37 3ink s LYS 97 Ca 0.01 0.72 0.00 0.00 0.00 0.00 0.00 55.97 56.70 3ink s LYS 97 Cb 0.08 -3.25 0.00 0.00 0.00 0.00 0.00 37.83 34.66 3ink s LYS 97 CO 0.78 0.60 0.00 0.41 0.00 0.00 0.00 175.35 177.14 3ink n GLY 98 N 1.84 0.00 2.88 0.59 0.00 -1.26 -4.93 105.19 104.30 3ink n GLY 98 Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 3ink n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ink s GLU 106 N 1.64 2.61 0.00 0.00 0.41 -1.26 -4.99 118.70 117.11 3ink s GLU 106 Ca -0.00 0.56 0.00 0.00 -0.41 0.00 0.00 54.97 55.11 3ink s GLU 106 Cb -0.16 -4.44 0.00 0.00 -1.78 0.00 0.00 34.13 27.75 3ink s GLU 106 CO -0.07 -2.79 0.00 0.66 -0.49 0.00 0.00 175.26 172.56 3ink n TYR 107 N 12.90 0.00 -3.86 1.61 4.01 -1.26 -0.77 117.16 129.79 3ink n TYR 107 Ca 0.22 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.87 3ink n TYR 107 Cb 0.52 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.47 3ink n TYR 107 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ink s ALA 108 N -3.68 -0.26 0.11 -0.72 0.00 -1.00 -1.78 121.76 114.43 3ink s ALA 108 Ca 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 3ink s ALA 108 Cb 0.00 0.38 -0.13 0.00 0.00 0.00 0.00 23.12 23.37 3ink s ALA 108 CO 0.00 -0.43 1.34 -0.44 0.00 0.00 0.00 175.76 176.23 3ink h ASP 109 N 3.10 0.96 -3.30 0.00 3.32 -1.98 -3.44 116.42 115.08 3ink h ASP 109 Ca -0.33 -0.59 -0.54 0.00 0.02 0.00 0.00 57.03 55.59 3ink h ASP 109 Cb 1.19 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 3ink h ASP 109 CO 0.53 1.39 0.47 -1.61 -1.72 0.00 0.00 179.24 178.30 3ink s GLU 110 N -3.90 4.49 0.82 3.56 2.02 -1.26 -5.04 118.70 119.39 3ink s GLU 110 Ca -0.11 1.60 -0.11 0.00 0.02 0.00 0.00 54.97 56.37 3ink s GLU 110 Cb 0.09 -3.41 0.10 0.00 0.10 0.00 0.00 34.13 31.02 3ink s GLU 110 CO 0.90 -0.16 1.17 0.95 0.02 0.00 0.00 175.26 178.14 3ink s THR 111 N 1.06 2.06 0.17 3.63 -4.23 -1.26 -4.74 115.64 112.33 3ink s THR 111 Ca 0.55 -0.07 0.01 0.00 -1.18 0.00 0.00 61.69 61.00 3ink s THR 111 Cb -0.25 -2.99 -0.05 0.00 1.34 0.00 0.00 72.50 70.56 3ink s THR 111 CO 0.28 0.00 0.02 0.00 -0.54 0.00 0.00 174.62 174.38 3ink s ALA 112 N -3.57 1.30 0.71 3.99 0.00 0.17 -4.90 121.76 119.45 3ink s ALA 112 Ca 0.64 -1.59 -0.07 0.00 0.00 0.00 0.00 51.96 50.94 3ink s ALA 112 Cb -0.09 0.63 0.06 0.00 0.00 0.00 0.00 23.12 23.71 3ink s ALA 112 CO 0.49 -0.36 1.03 0.95 0.00 0.00 0.00 175.76 177.87 3ink s THR 113 N -3.73 2.43 0.24 0.00 -4.23 -1.26 0.13 115.64 109.22 3ink s THR 113 Ca 0.25 -0.17 -0.06 0.00 -1.18 0.00 0.00 61.69 60.53 3ink s THR 113 Cb 0.06 -3.07 0.22 0.00 1.34 0.00 0.00 72.50 71.06 3ink s THR 113 CO 0.04 -0.08 1.87 0.40 -0.54 0.00 0.00 174.62 176.32 3ink h ILE 114 N -0.62 1.11 -0.75 2.99 5.03 -1.80 -0.84 117.51 122.63 3ink h ILE 114 Ca -0.45 -0.37 -0.06 0.00 -0.12 0.00 0.00 64.86 63.87 3ink h ILE 114 Cb 1.31 -0.06 -0.03 0.00 -3.03 0.00 0.00 36.82 35.01 3ink h ILE 114 CO 0.61 0.20 0.24 0.58 -0.68 0.00 0.00 178.15 179.10 3ink h VAL 115 N 1.08 1.26 -0.01 1.67 2.07 -1.94 0.73 116.25 121.12 3ink h VAL 115 Ca 0.37 -0.91 -0.22 0.00 0.82 0.00 0.00 66.70 66.75 3ink h VAL 115 Cb 0.07 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3ink h VAL 115 CO -0.14 0.36 -0.93 -0.33 0.02 0.00 0.00 177.57 176.55 3ink h GLU 116 N 1.12 0.42 0.55 1.57 5.08 -1.88 -2.30 114.58 119.15 3ink h GLU 116 Ca 0.24 -0.44 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 3ink h GLU 116 Cb 0.30 0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.68 3ink h GLU 116 CO -0.01 1.11 -0.27 0.35 -1.00 0.00 0.00 179.01 179.19 3ink h PHE 117 N 0.24 -0.69 -0.48 4.33 3.57 -0.88 0.89 116.94 123.92 3ink h PHE 117 Ca -0.08 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.47 3ink h PHE 117 Cb 1.56 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 40.50 3ink h PHE 117 CO 0.06 -0.36 0.32 -0.07 -2.23 0.00 0.00 178.31 176.03 3ink h LEU 118 N -0.96 0.35 -0.37 0.59 3.38 -0.90 -2.53 115.31 114.86 3ink h LEU 118 Ca -0.08 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.71 3ink h LEU 118 Cb 0.64 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3ink h LEU 118 CO 0.12 0.23 -0.77 0.78 0.09 0.00 0.00 178.44 178.89 3ink h ASN 119 N 0.40 0.43 1.50 -0.43 -0.26 -1.12 -1.22 115.58 114.88 3ink h ASN 119 Ca 0.21 -0.30 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 3ink h ASN 119 Cb 0.32 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.45 3ink h ASN 119 CO -0.05 1.05 0.00 0.08 -1.06 0.00 0.00 177.43 177.45 3ink h ARG 120 N 0.23 0.00 0.06 0.81 -0.00 -0.39 -1.97 114.38 113.12 3ink h ARG 120 Ca -0.04 0.00 -0.29 0.00 -0.00 0.00 0.00 59.98 59.65 3ink h ARG 120 Cb 1.36 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.30 3ink h ARG 120 CO 0.13 0.00 -1.51 -1.49 -0.00 0.00 0.00 179.97 177.10 3ink h TRP 121 N 0.00 0.24 -0.15 4.08 4.06 -1.34 -2.14 115.95 120.71 3ink h TRP 121 Ca 0.00 -0.18 -0.00 0.00 2.06 0.00 0.00 58.89 60.77 3ink h TRP 121 Cb 0.75 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.89 3ink h TRP 121 CO 0.00 1.23 0.08 0.82 -3.56 0.00 0.00 178.44 177.01 3ink h ILE 122 N 0.04 1.11 0.05 1.49 2.04 -1.13 -1.17 117.51 119.93 3ink h ILE 122 Ca -0.22 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 3ink h ILE 122 Cb 1.97 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 3ink h ILE 122 CO 0.13 0.10 -0.02 0.74 0.00 0.00 0.00 178.15 179.10 3ink h THR 123 N 0.13 0.99 -0.56 -0.27 2.02 -1.40 -1.69 112.91 112.14 3ink h THR 123 Ca 0.05 -0.12 0.11 0.00 0.77 0.00 0.00 66.41 67.23 3ink h THR 123 Cb 0.10 1.07 -0.10 0.00 -1.74 0.00 0.00 68.15 67.48 3ink h THR 123 CO -0.01 0.03 -0.04 0.15 0.37 0.00 0.00 175.52 176.02 3ink h PHE 124 N -0.11 -0.12 -0.80 3.16 3.57 -0.86 0.35 116.94 122.13 3ink h PHE 124 Ca -0.01 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3ink h PHE 124 Cb 0.10 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 3ink h PHE 124 CO -0.06 -0.18 0.37 0.00 -2.23 0.00 0.00 178.31 176.22 3ink h ALA 125 N 1.53 1.15 -0.28 2.41 0.00 -1.03 0.28 119.26 123.31 3ink h ALA 125 Ca 0.29 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3ink h ALA 125 Cb 0.45 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ink h ALA 125 CO -0.51 0.64 -0.25 1.96 0.00 0.00 0.00 179.25 181.09 3ink h GLN 126 N 1.14 0.55 0.00 0.00 4.20 -0.17 -1.14 115.11 119.68 3ink h GLN 126 Ca 0.27 -0.21 -0.17 0.00 0.06 0.00 0.00 58.65 58.60 3ink h GLN 126 Cb 0.13 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3ink h GLN 126 CO -0.03 0.75 -0.83 0.77 -0.67 0.00 0.00 178.83 178.82 3ink h SER 127 N 0.48 0.00 -0.13 1.46 0.02 0.15 -2.80 113.55 112.74 3ink h SER 127 Ca 0.07 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.84 3ink h SER 127 Cb 0.69 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.24 3ink h SER 127 CO 0.05 0.83 -0.63 0.40 -1.14 0.00 0.00 176.83 176.35 3ink h ILE 128 N 0.00 1.33 -0.59 3.27 1.08 -0.44 -2.90 117.51 119.25 3ink h ILE 128 Ca -0.01 -1.89 0.09 0.00 -0.39 0.00 0.00 64.86 62.66 3ink h ILE 128 Cb 1.50 2.10 -0.07 0.00 -3.07 0.00 0.00 36.82 37.29 3ink h ILE 128 CO 0.11 0.58 0.22 0.40 -0.69 0.00 0.00 178.15 178.77 3ink h ILE 129 N 0.31 0.78 -0.62 -0.67 2.04 -1.25 0.16 117.51 118.26 3ink h ILE 129 Ca -0.04 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.73 3ink h ILE 129 Cb 1.26 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 3ink h ILE 129 CO 0.13 0.07 0.41 0.28 0.00 0.00 0.00 178.15 179.04 3ink h SER 130 N 0.40 0.57 0.28 1.72 0.02 -1.35 -0.90 113.55 114.29 3ink h SER 130 Ca 0.30 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.20 3ink h SER 130 Cb 0.35 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3ink h SER 130 CO -0.29 0.38 -0.20 0.71 -1.14 0.00 0.00 176.83 176.28 3ink h THR 131 N 0.65 0.98 0.00 -2.27 1.35 -0.48 -2.99 112.91 110.15 3ink h THR 131 Ca 0.26 -0.73 -0.18 0.00 -0.55 0.00 0.00 66.41 65.21 3ink h THR 131 Cb 0.21 1.42 -0.03 0.00 -1.73 0.00 0.00 68.15 68.01 3ink h THR 131 CO -0.08 0.20 -1.82 0.18 -0.25 0.00 0.00 175.52 173.75 3ink n LEU 132 N -4.05 0.40 0.00 3.87 4.32 -0.69 -5.14 117.00 115.71 3ink n LEU 132 Ca -0.02 0.17 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 3ink n LEU 132 Cb 0.28 0.17 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 3ink n LEU 132 CO 0.35 0.20 0.00 0.41 -1.22 0.00 0.00 177.39 177.12