#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tby s VAL 2 N 0.00 4.75 0.59 0.58 1.01 -1.26 -1.62 120.40 124.45 1tby s VAL 2 Ca 0.00 -0.25 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 1tby s VAL 2 Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1tby s VAL 2 CO 0.00 0.14 1.04 -0.36 0.00 0.00 0.00 175.10 175.92 1tby s PHE 3 N 1.65 3.17 0.30 5.22 0.40 -0.53 -5.02 117.98 123.17 1tby s PHE 3 Ca 0.06 1.47 -0.08 0.00 -0.60 0.00 0.00 56.93 57.78 1tby s PHE 3 Cb -0.17 -2.91 -0.06 0.00 0.51 0.00 0.00 43.02 40.39 1tby s PHE 3 CO 0.07 -0.90 0.61 -1.21 0.70 0.00 0.00 175.22 174.49 1tby s GLU 4 N -4.27 3.73 0.10 0.44 2.02 -1.26 -4.89 118.70 114.57 1tby s GLU 4 Ca 0.61 0.22 -0.30 0.00 0.02 0.00 0.00 54.97 55.51 1tby s GLU 4 Cb -0.14 -2.58 -0.12 0.00 0.10 0.00 0.00 34.13 31.39 1tby s GLU 4 CO 0.39 0.19 1.49 -0.09 0.02 0.00 0.00 175.26 177.26 1tby h ARG 5 N 1.88 -0.55 0.00 1.61 2.43 -1.97 0.05 114.38 117.84 1tby h ARG 5 Ca -0.47 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.65 1tby h ARG 5 Cb 1.18 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1tby h ARG 5 CO 0.66 -0.37 -0.42 0.00 -1.51 0.00 0.00 179.97 178.34 1tby h GLU 7 N 0.00 0.36 -0.54 0.00 4.81 -1.85 -1.76 114.58 115.61 1tby h GLU 7 Ca -0.00 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 1tby h GLU 7 Cb 0.81 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1tby h GLU 7 CO 0.05 0.26 -0.09 1.25 -0.73 0.00 0.00 179.01 179.76 1tby h LEU 8 N 0.36 1.00 -0.45 1.64 5.85 -0.37 -2.52 115.31 120.81 1tby h LEU 8 Ca 0.10 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.53 1tby h LEU 8 Cb -0.01 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 1tby h LEU 8 CO -0.02 1.10 0.24 0.00 -0.34 0.00 0.00 178.44 179.42 1tby h ALA 9 N 0.99 0.57 -0.35 1.25 0.00 -0.83 -0.12 119.26 120.77 1tby h ALA 9 Ca 0.14 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1tby h ALA 9 Cb 0.64 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1tby h ALA 9 CO 0.04 -0.11 -0.24 0.00 0.00 0.00 0.00 179.25 178.94 1tby h ARG 10 N 0.47 0.71 -0.44 0.00 3.08 -1.31 -1.46 114.38 115.43 1tby h ARG 10 Ca 0.19 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1tby h ARG 10 Cb 0.08 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1tby h ARG 10 CO -0.12 0.88 0.12 1.15 -1.07 0.00 0.00 179.97 180.93 1tby h THR 11 N 0.61 1.23 -0.34 2.04 2.02 -0.94 -1.23 112.91 116.30 1tby h THR 11 Ca 0.08 -0.77 -0.08 0.00 0.77 0.00 0.00 66.41 66.41 1tby h THR 11 Cb 0.74 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1tby h THR 11 CO 0.06 0.27 -0.12 -0.07 0.37 0.00 0.00 175.52 176.03 1tby h LEU 12 N 0.57 0.57 0.08 2.58 3.38 -0.86 -2.07 115.31 119.56 1tby h LEU 12 Ca 0.14 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1tby h LEU 12 Cb 0.29 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1tby h LEU 12 CO -0.00 0.72 -0.04 0.50 0.09 0.00 0.00 178.44 179.71 1tby h LYS 13 N 0.54 -0.11 -0.87 1.13 3.11 -0.99 -1.68 116.57 117.70 1tby h LYS 13 Ca 0.10 0.01 0.05 0.00 -2.81 0.00 0.00 60.65 57.99 1tby h LYS 13 Cb 0.52 0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.73 1tby h LYS 13 CO 0.03 -0.06 0.57 0.00 -2.81 0.00 0.00 179.45 177.18 1tby h ARG 14 N -0.12 1.02 -0.01 1.90 3.08 -0.95 -2.22 114.38 117.09 1tby h ARG 14 Ca -0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1tby h ARG 14 Cb 0.09 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1tby h ARG 14 CO 0.02 0.68 0.00 1.28 -1.07 0.00 0.00 179.97 180.88 1tby n LEU 15 N -4.46 0.14 0.00 3.04 4.77 -0.80 -4.91 117.00 114.78 1tby n LEU 15 Ca 0.12 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1tby n LEU 15 Cb 0.14 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1tby n LEU 15 CO 0.34 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1tby n GLY 16 N 0.84 0.79 0.05 -0.72 0.00 -0.83 -4.97 105.19 100.35 1tby n GLY 16 Ca 0.15 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.65 1tby n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1tby n MET 17 N -1.55 0.20 -2.48 1.61 2.81 -0.67 -4.47 117.12 112.57 1tby n MET 17 Ca 0.00 0.08 -0.43 0.00 -1.81 0.00 0.00 57.70 55.54 1tby n MET 17 Cb 0.23 -1.65 -0.02 0.00 -0.71 0.00 0.00 33.22 31.07 1tby n MET 17 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1tby s ASP 18 N -3.89 6.58 0.00 7.83 2.15 -1.26 -2.52 116.67 125.56 1tby s ASP 18 Ca 0.09 0.82 0.00 0.00 0.43 0.00 0.00 52.55 53.89 1tby s ASP 18 Cb 0.15 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1tby s ASP 18 CO 0.68 -1.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.06 1tby n GLY 19 N 4.69 0.53 3.69 2.66 0.00 0.13 -4.90 105.19 111.98 1tby n GLY 19 Ca 0.14 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1tby n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1tby s TYR 20 N -2.00 2.45 -0.99 1.61 5.04 -1.05 -1.33 117.35 121.08 1tby s TYR 20 Ca 0.00 0.40 -0.01 0.00 -2.44 0.00 0.00 57.07 55.02 1tby s TYR 20 Cb 0.00 -3.90 0.01 0.00 0.35 0.00 0.00 41.96 38.41 1tby s TYR 20 CO 0.00 -3.60 0.04 0.54 -1.34 0.00 0.00 175.55 171.19 1tby n ARG 21 N 5.74 -2.40 -0.88 4.97 5.12 -1.26 -1.75 116.66 126.20 1tby n ARG 21 Ca 0.15 0.54 0.00 0.00 -1.93 0.00 0.00 57.85 56.62 1tby n ARG 21 Cb 0.41 -5.14 0.00 0.00 -1.16 0.00 0.00 32.46 26.57 1tby n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1tby n GLY 22 N -0.81 0.58 3.58 -0.13 0.00 -0.44 -5.03 105.19 102.93 1tby n GLY 22 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 1tby n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tby s ILE 23 N -2.07 5.30 0.93 -0.61 1.01 -0.72 -4.86 121.20 120.18 1tby s ILE 23 Ca 0.00 0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.68 1tby s ILE 23 Cb 0.00 -3.57 0.15 0.00 0.01 0.00 0.00 42.46 39.05 1tby s ILE 23 CO 0.00 0.21 1.09 -0.94 0.00 0.00 0.00 174.94 175.30 1tby s SER 24 N 1.75 3.04 0.30 3.58 1.04 -1.26 0.20 113.70 122.34 1tby s SER 24 Ca 0.07 1.69 -0.02 0.00 0.48 0.00 0.00 55.95 58.17 1tby s SER 24 Cb -0.16 -2.32 0.45 0.00 0.10 0.00 0.00 66.02 64.09 1tby s SER 24 CO 0.11 -2.94 1.96 -0.07 0.98 0.00 0.00 173.24 173.27 1tby h LEU 25 N -1.76 0.95 -1.76 2.42 3.38 -1.91 -2.73 115.31 113.90 1tby h LEU 25 Ca -0.49 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.48 1tby h LEU 25 Cb 1.28 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1tby h LEU 25 CO 0.51 0.67 0.19 0.00 0.09 0.00 0.00 178.44 179.90 1tby h ALA 26 N 1.48 1.88 -0.05 1.53 0.00 -1.92 0.20 119.26 122.38 1tby h ALA 26 Ca 0.32 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.98 1tby h ALA 26 Cb -0.07 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1tby h ALA 26 CO -0.08 0.09 -0.91 -0.91 0.00 0.00 0.00 179.25 177.44 1tby h ASN 27 N 0.32 0.77 0.13 0.00 2.35 -1.80 -0.76 115.58 116.59 1tby h ASN 27 Ca 0.11 -0.57 -0.10 0.00 -0.55 0.00 0.00 56.30 55.19 1tby h ASN 27 Cb 0.07 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1tby h ASN 27 CO -0.02 1.37 -0.34 -0.50 -1.65 0.00 0.00 177.43 176.28 1tby h TRP 28 N 0.38 0.35 -0.29 1.19 4.06 -1.25 -2.34 115.95 118.05 1tby h TRP 28 Ca -0.08 -0.08 -0.10 0.00 2.06 0.00 0.00 58.89 60.68 1tby h TRP 28 Cb 1.54 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 29.61 1tby h TRP 28 CO 0.08 0.61 -0.22 0.52 -3.56 0.00 0.00 178.44 175.87 1tby h MET 29 N 0.26 0.66 -0.92 0.49 2.86 -0.87 -0.74 114.93 116.68 1tby h MET 29 Ca 0.03 -0.32 0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1tby h MET 29 Cb 0.73 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.34 1tby h MET 29 CO 0.06 0.93 0.61 0.00 1.06 0.00 0.00 176.91 179.56 1tby h LEU 31 N 1.24 -0.41 -0.99 0.00 5.85 -1.11 -2.06 115.31 117.84 1tby h LEU 31 Ca 0.34 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 59.04 1tby h LEU 31 Cb -0.14 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 40.92 1tby h LEU 31 CO -0.08 -0.09 0.63 0.00 -0.34 0.00 0.00 178.44 178.56 1tby h ALA 32 N -0.22 1.46 0.29 1.25 0.00 -1.09 0.58 119.26 121.52 1tby h ALA 32 Ca -0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1tby h ALA 32 Cb 0.51 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1tby h ALA 32 CO 0.08 0.28 -0.41 -0.22 0.00 0.00 0.00 179.25 178.98 1tby h LYS 33 N 1.04 -0.74 0.00 0.00 3.11 -1.00 -1.67 116.57 117.30 1tby h LYS 33 Ca 0.47 0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 58.28 1tby h LYS 33 Cb 0.39 0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.77 1tby h LYS 33 CO -0.24 -0.49 -0.40 -1.49 -2.81 0.00 0.00 179.45 174.02 1tby h TRP 34 N -0.76 0.00 -0.06 1.91 4.06 -1.24 0.18 115.95 120.03 1tby h TRP 34 Ca -0.01 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.76 1tby h TRP 34 Cb 0.72 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.89 1tby h TRP 34 CO -0.28 0.40 -0.65 0.93 -3.56 0.00 0.00 178.44 175.28 1tby h GLU 35 N 0.00 0.54 0.00 0.49 4.39 -0.74 -3.41 114.58 115.86 1tby h GLU 35 Ca -0.00 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 59.19 1tby h GLU 35 Cb 1.21 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1tby h GLU 35 CO 0.05 1.14 0.00 -1.13 -1.16 0.00 0.00 179.01 177.91 1tby n SER 36 N -4.14 0.08 -2.57 1.42 3.41 -0.66 -4.82 113.62 106.34 1tby n SER 36 Ca -0.09 -0.64 -0.19 0.00 -0.26 0.00 0.00 58.87 57.69 1tby n SER 36 Cb 0.68 0.05 0.03 0.00 -0.26 0.00 0.00 64.21 64.72 1tby n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tby n GLY 37 N 0.05 -0.35 2.96 5.00 0.00 0.63 -2.92 105.19 110.56 1tby n GLY 37 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 1tby n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1tby n TYR 38 N -4.32 -1.91 -3.93 1.61 4.01 -1.17 -4.79 117.16 106.66 1tby n TYR 38 Ca -0.11 0.58 -0.35 0.00 -0.16 0.00 0.00 57.90 57.86 1tby n TYR 38 Cb 0.61 -4.11 -0.14 0.00 -0.31 0.00 0.00 39.34 35.39 1tby n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1tby s ASN 39 N -2.92 4.30 0.47 7.72 2.47 -1.15 -1.45 114.94 124.37 1tby s ASN 39 Ca 0.33 -0.63 0.31 0.00 0.42 0.00 0.00 52.86 53.29 1tby s ASN 39 Cb -0.15 -1.70 1.23 0.00 -1.45 0.00 0.00 41.25 39.18 1tby s ASN 39 CO 0.41 -0.08 1.90 0.71 -3.72 0.00 0.00 177.10 176.32 1tby h THR 40 N 5.90 0.00 -0.01 -5.21 1.35 -1.64 -3.05 112.91 110.25 1tby h THR 40 Ca -0.37 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1tby h THR 40 Cb 1.14 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1tby h THR 40 CO 0.60 0.00 -0.11 0.54 -0.25 0.00 0.00 175.52 176.29 1tby n ARG 41 N -2.85 1.22 -1.93 4.72 1.74 -1.26 -4.10 116.66 114.21 1tby n ARG 41 Ca 0.01 -0.68 -0.42 0.00 -0.77 0.00 0.00 57.85 56.00 1tby n ARG 41 Cb 0.29 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 1tby n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tby s ALA 42 N -2.24 3.77 0.05 7.54 0.00 -1.16 -4.82 121.76 124.90 1tby s ALA 42 Ca 0.32 1.38 0.04 0.00 0.00 0.00 0.00 51.96 53.70 1tby s ALA 42 Cb 0.20 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1tby s ALA 42 CO 0.42 -0.79 -0.11 0.95 0.00 0.00 0.00 175.76 176.24 1tby s THR 43 N 1.01 0.81 -0.17 0.00 -4.23 -1.26 -0.74 115.64 111.06 1tby s THR 43 Ca 0.69 -1.06 -0.04 0.00 -1.18 0.00 0.00 61.69 60.10 1tby s THR 43 Cb -0.44 -0.80 0.06 0.00 1.34 0.00 0.00 72.50 72.66 1tby s THR 43 CO 0.33 -0.22 0.06 0.21 -0.54 0.00 0.00 174.62 174.45 1tby s ASN 44 N -1.43 2.48 0.12 3.99 3.04 -0.51 -4.95 114.94 117.68 1tby s ASN 44 Ca -0.04 -0.63 -0.21 0.00 0.04 0.00 0.00 52.86 52.01 1tby s ASN 44 Cb -0.09 -0.42 -0.07 0.00 -1.54 0.00 0.00 41.25 39.13 1tby s ASN 44 CO 0.01 -0.31 0.66 -0.47 -3.04 0.00 0.00 177.10 173.95 1tby s TYR 45 N 2.00 3.82 -0.43 0.43 5.04 -1.26 -0.67 117.35 126.28 1tby s TYR 45 Ca 0.01 1.41 -0.02 0.00 -2.44 0.00 0.00 57.07 56.03 1tby s TYR 45 Cb -0.16 -2.60 0.12 0.00 0.35 0.00 0.00 41.96 39.66 1tby s TYR 45 CO -0.08 0.53 0.22 -0.80 -1.34 0.00 0.00 175.55 174.09 1tby s ASN 46 N -1.20 5.18 0.49 4.32 0.01 0.69 -4.97 114.94 119.46 1tby s ASN 46 Ca 0.33 -2.18 0.18 0.00 -0.71 0.00 0.00 52.86 50.48 1tby s ASN 46 Cb -0.20 -1.81 1.21 0.00 0.41 0.00 0.00 41.25 40.86 1tby s ASN 46 CO 0.22 -0.50 2.06 0.00 -1.51 0.00 0.00 177.10 177.37 1tby h ALA 47 N 7.83 1.67 -0.48 0.60 0.00 -1.96 0.28 119.26 127.20 1tby h ALA 47 Ca -0.10 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1tby h ALA 47 Cb 1.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1tby h ALA 47 CO 0.68 0.15 -0.20 0.78 0.00 0.00 0.00 179.25 180.66 1tby h GLY 48 N 0.43 1.06 -0.37 0.00 0.00 -1.96 -3.29 103.07 98.94 1tby h GLY 48 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 46.41 1tby h GLY 48 CO 0.02 0.84 0.00 2.09 0.00 0.00 0.00 176.54 179.49 1tby n ASP 49 N -4.11 1.78 -1.65 0.19 5.75 -1.11 -5.01 116.55 112.38 1tby n ASP 49 Ca 0.00 -1.54 -0.15 0.00 -0.01 0.00 0.00 54.79 53.09 1tby n ASP 49 Cb 0.45 -0.04 -0.01 0.00 -1.03 0.00 0.00 41.12 40.49 1tby n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1tby n ARG 50 N 0.05 -1.18 -3.64 0.11 1.74 0.96 -4.78 116.66 109.92 1tby n ARG 50 Ca 0.03 0.76 -0.22 0.00 -0.77 0.00 0.00 57.85 57.65 1tby n ARG 50 Cb 0.19 -5.07 -0.03 0.00 -1.02 0.00 0.00 32.46 26.53 1tby n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1tby s SER 51 N -2.37 4.95 0.03 0.55 1.04 -1.17 -4.51 113.70 112.21 1tby s SER 51 Ca 0.00 -0.82 0.03 0.00 0.48 0.00 0.00 55.95 55.64 1tby s SER 51 Cb 0.00 -0.47 -0.02 0.00 0.10 0.00 0.00 66.02 65.63 1tby s SER 51 CO 0.00 -0.69 -0.10 -0.89 0.98 0.00 0.00 173.24 172.54 1tby s THR 52 N -2.51 0.78 -0.16 2.02 2.01 -1.26 -0.22 115.64 116.29 1tby s THR 52 Ca 0.47 -0.79 -0.07 0.00 0.31 0.00 0.00 61.69 61.60 1tby s THR 52 Cb -0.02 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 1tby s THR 52 CO 0.27 -0.05 0.07 -1.81 -0.69 0.00 0.00 174.62 172.41 1tby s ASP 53 N -0.94 5.73 -0.10 3.53 1.01 0.16 -1.07 116.67 124.99 1tby s ASP 53 Ca -0.01 0.16 0.03 0.00 0.71 0.00 0.00 52.55 53.44 1tby s ASP 53 Cb -0.07 -1.92 -0.01 0.00 1.01 0.00 0.00 42.92 41.94 1tby s ASP 53 CO 0.01 0.24 -0.21 -0.31 0.21 0.00 0.00 175.17 175.10 1tby s TYR 54 N -0.02 2.61 0.00 4.23 2.02 -0.20 -1.42 117.35 124.57 1tby s TYR 54 Ca 0.07 -0.90 0.00 0.00 -0.37 0.00 0.00 57.07 55.87 1tby s TYR 54 Cb -0.12 -1.73 0.00 0.00 -0.40 0.00 0.00 41.96 39.71 1tby s TYR 54 CO 0.01 -0.33 0.00 0.41 -1.57 0.00 0.00 175.55 174.06 1tby n GLY 55 N 3.43 -2.03 0.32 0.71 0.00 0.08 -2.06 105.19 105.64 1tby n GLY 55 Ca -0.19 -1.50 0.15 0.00 0.00 0.00 0.00 46.02 44.48 1tby n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1tby h ILE 56 N 0.00 0.71 -0.02 -0.61 2.10 -1.70 -0.97 117.51 117.02 1tby h ILE 56 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1tby h ILE 56 Cb 0.00 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 36.61 1tby h ILE 56 CO 0.00 0.00 -0.06 0.49 -1.08 0.00 0.00 178.15 177.50 1tby n PHE 57 N -4.18 0.00 -3.66 2.19 3.72 -1.26 -4.06 117.46 110.21 1tby n PHE 57 Ca 0.02 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.13 1tby n PHE 57 Cb 0.29 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.86 1tby n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1tby n GLN 58 N 0.94 -1.19 -3.07 -1.08 1.13 -0.37 -4.94 117.38 108.80 1tby n GLN 58 Ca 0.11 0.57 -0.40 0.00 -1.94 0.00 0.00 57.00 55.34 1tby n GLN 58 Cb 0.48 -3.94 -0.05 0.00 0.11 0.00 0.00 30.24 26.84 1tby n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1tby s ILE 59 N -3.36 5.05 0.28 5.09 1.01 -0.87 -4.58 121.20 123.80 1tby s ILE 59 Ca 0.37 1.37 -0.29 0.00 0.00 0.00 0.00 60.65 62.10 1tby s ILE 59 Cb -0.14 -4.01 -0.09 0.00 0.01 0.00 0.00 42.46 38.23 1tby s ILE 59 CO 0.86 0.22 1.05 0.21 0.00 0.00 0.00 174.94 177.28 1tby s ASN 60 N 0.86 7.35 0.00 3.58 3.84 -1.26 -1.03 114.94 128.28 1tby s ASN 60 Ca 0.35 2.16 0.26 0.00 0.21 0.00 0.00 52.86 55.83 1tby s ASN 60 Cb -0.17 -2.62 1.19 0.00 -0.55 0.00 0.00 41.25 39.10 1tby s ASN 60 CO 0.16 -0.07 1.84 -1.54 -2.79 0.00 0.00 177.10 174.69 1tby n SER 61 N 1.19 0.00 -0.05 -4.21 3.41 -0.23 -1.90 113.62 111.82 1tby n SER 61 Ca -0.01 0.23 -0.15 0.00 -0.26 0.00 0.00 58.87 58.68 1tby n SER 61 Cb 0.46 -0.40 -0.13 0.00 -0.26 0.00 0.00 64.21 63.88 1tby n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1tby h ARG 62 N 0.00 0.04 0.01 4.33 2.43 -1.85 -3.41 114.38 115.93 1tby h ARG 62 Ca 0.00 -0.06 -0.35 0.00 -0.81 0.00 0.00 59.98 58.76 1tby h ARG 62 Cb 0.35 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.86 1tby h ARG 62 CO 0.00 0.97 -2.16 1.28 -1.51 0.00 0.00 179.97 178.55 1tby n LEU 63 N -4.58 0.81 -0.06 3.80 7.99 -1.24 0.03 117.00 123.75 1tby n LEU 63 Ca -0.10 0.13 -0.11 0.00 -0.01 0.00 0.00 56.01 55.92 1tby n LEU 63 Cb 0.49 0.12 -0.05 0.00 -0.11 0.00 0.00 43.42 43.87 1tby n LEU 63 CO 0.36 0.54 -0.92 0.79 -1.51 0.00 0.00 177.39 176.65 1tby n TRP 64 N -2.95 0.00 -4.46 -1.77 7.02 -0.80 -0.89 117.44 113.58 1tby n TRP 64 Ca -0.29 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 55.96 1tby n TRP 64 Cb 1.10 -0.46 -0.10 0.00 -2.42 0.00 0.00 31.31 29.43 1tby n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1tby s ASN 66 N -3.49 4.54 0.00 0.00 2.47 -0.22 -4.39 114.94 113.84 1tby s ASN 66 Ca 0.29 -0.27 0.07 0.00 0.42 0.00 0.00 52.86 53.37 1tby s ASN 66 Cb -0.01 -1.76 0.13 0.00 -1.45 0.00 0.00 41.25 38.16 1tby s ASN 66 CO 0.14 0.06 0.95 -0.90 -3.72 0.00 0.00 177.10 173.63 1tby n ASP 67 N 4.23 2.12 0.00 -4.21 5.68 -1.26 -0.93 116.55 122.18 1tby n ASP 67 Ca -0.18 -1.66 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 1tby n ASP 67 Cb 0.52 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1tby n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1tby n GLY 68 N 0.30 2.44 1.14 6.12 0.00 -1.26 -4.79 105.19 109.14 1tby n GLY 68 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 1tby n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1tby n LYS 69 N 0.00 2.53 -3.63 1.61 2.85 -1.26 -4.95 118.16 115.31 1tby n LYS 69 Ca 0.00 -2.34 -0.37 0.00 -1.05 0.00 0.00 58.31 54.54 1tby n LYS 69 Cb 0.00 -1.49 -0.10 0.00 -0.65 0.00 0.00 35.03 32.78 1tby n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1tby s THR 70 N -1.24 5.28 0.43 0.58 2.01 -1.26 -4.98 115.64 116.45 1tby s THR 70 Ca 0.39 0.16 -0.26 0.00 0.31 0.00 0.00 61.69 62.29 1tby s THR 70 Cb 0.22 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 69.14 1tby s THR 70 CO 0.30 0.29 1.46 -2.16 -0.69 0.00 0.00 174.62 173.82 1tby s PRO 71 N 1.47 3.82 -1.85 4.92 0.04 -1.26 -3.14 135.00 139.00 1tby s PRO 71 Ca 0.07 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.62 1tby s PRO 71 Cb -0.15 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1tby s PRO 71 CO 0.08 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.79 1tby n GLY 72 N 0.52 0.07 3.76 0.56 0.00 -1.26 -4.92 105.19 103.92 1tby n GLY 72 Ca 0.04 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1tby n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tby s ALA 73 N -2.96 3.50 -0.25 4.61 0.00 -1.19 -4.88 121.76 120.59 1tby s ALA 73 Ca 0.00 1.21 -0.00 0.00 0.00 0.00 0.00 51.96 53.17 1tby s ALA 73 Cb 0.00 -3.47 -0.16 0.00 0.00 0.00 0.00 23.12 19.49 1tby s ALA 73 CO 0.00 -0.59 -0.23 0.28 0.00 0.00 0.00 175.76 175.22 1tby n VAL 74 N 1.23 1.42 -3.64 0.00 0.31 0.10 -5.02 118.33 112.73 1tby n VAL 74 Ca 0.01 -0.52 -0.21 0.00 -0.01 0.00 0.00 64.34 63.61 1tby n VAL 74 Cb 0.42 -1.44 0.04 0.00 -0.91 0.00 0.00 33.84 31.95 1tby n VAL 74 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1tby n ASN 75 N -3.35 -1.98 0.27 4.52 5.15 -1.08 -4.92 115.26 113.87 1tby n ASN 75 Ca -0.45 -0.81 0.11 0.00 -0.60 0.00 0.00 54.58 52.83 1tby n ASN 75 Cb 0.95 -4.19 0.73 0.00 -0.53 0.00 0.00 39.78 36.74 1tby n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1tby h ALA 76 N 0.80 1.73 0.00 5.20 0.00 -0.86 -0.88 119.26 125.25 1tby h ALA 76 Ca -0.61 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1tby h ALA 76 Cb 1.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1tby h ALA 76 CO 0.54 0.04 -0.17 0.00 0.00 0.00 0.00 179.25 179.66 1tby n HIS 78 N -1.86 -2.23 -4.07 0.00 -0.00 -0.34 -4.98 115.22 101.74 1tby n HIS 78 Ca 0.06 0.92 -0.14 0.00 -0.00 0.00 0.00 57.72 58.56 1tby n HIS 78 Cb 0.39 -4.84 -0.14 0.00 -0.00 0.00 0.00 29.99 25.40 1tby n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1tby s LEU 79 N -6.64 2.02 0.37 2.41 1.43 -1.26 -5.07 118.68 111.94 1tby s LEU 79 Ca 0.13 -0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 52.87 1tby s LEU 79 Cb -0.06 -0.18 -0.09 0.00 0.03 0.00 0.00 46.19 45.89 1tby s LEU 79 CO 0.76 0.02 1.11 -0.55 0.23 0.00 0.00 176.35 177.93 1tby s SER 80 N -0.19 6.79 0.52 2.29 0.15 -1.26 -1.06 113.70 120.94 1tby s SER 80 Ca 0.00 2.23 0.24 0.00 0.70 0.00 0.00 55.95 59.12 1tby s SER 80 Cb -0.02 -2.61 1.43 0.00 -1.71 0.00 0.00 66.02 63.11 1tby s SER 80 CO -0.00 -0.48 2.11 0.00 1.20 0.00 0.00 173.24 176.07 1tby h SER 82 N 0.00 0.00 0.42 0.00 4.64 -1.92 -1.47 113.55 115.22 1tby h SER 82 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1tby h SER 82 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1tby h SER 82 CO 0.01 0.02 -0.08 0.00 -0.87 0.00 0.00 176.83 175.92 1tby h ALA 83 N 1.98 1.19 -0.10 5.18 0.00 -1.66 -2.40 119.26 123.44 1tby h ALA 83 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1tby h ALA 83 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1tby h ALA 83 CO 0.00 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.63 1tby n LEU 84 N -3.45 1.35 -0.81 0.00 4.77 -0.55 -3.41 117.00 114.90 1tby n LEU 84 Ca -0.02 -0.53 0.07 0.00 -0.03 0.00 0.00 56.01 55.50 1tby n LEU 84 Cb 0.22 -0.06 0.20 0.00 -2.33 0.00 0.00 43.42 41.45 1tby n LEU 84 CO 0.28 0.27 0.67 0.18 -1.33 0.00 0.00 177.39 177.46 1tby n LEU 85 N 0.09 3.38 -4.88 2.23 4.77 -0.90 -3.57 117.00 118.12 1tby n LEU 85 Ca 0.17 -2.33 -0.30 0.00 -0.03 0.00 0.00 56.01 53.52 1tby n LEU 85 Cb 0.29 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1tby n LEU 85 CO 0.14 0.73 0.64 -1.10 -1.33 0.00 0.00 177.39 176.46 1tby s GLN 86 N -1.60 3.58 0.24 3.23 -0.21 -1.22 -4.66 119.66 119.03 1tby s GLN 86 Ca 0.32 0.59 0.08 0.00 0.02 0.00 0.00 55.36 56.36 1tby s GLN 86 Cb 0.20 -2.17 0.25 0.00 1.00 0.00 0.00 33.01 32.30 1tby s GLN 86 CO 0.15 -0.46 1.55 -0.44 -2.12 0.00 0.00 175.29 173.96 1tby h ASP 87 N -0.16 0.08 -3.25 5.90 3.32 -1.93 -3.41 116.42 116.98 1tby h ASP 87 Ca -0.45 -0.05 -0.58 0.00 0.02 0.00 0.00 57.03 55.97 1tby h ASP 87 Cb 1.19 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 40.65 1tby h ASP 87 CO 0.62 0.73 0.76 0.21 -1.72 0.00 0.00 179.24 179.84 1tby s ASN 88 N -6.85 6.95 0.00 6.45 2.47 -1.26 -4.86 114.94 117.84 1tby s ASN 88 Ca -0.02 1.11 0.15 0.00 0.42 0.00 0.00 52.86 54.52 1tby s ASN 88 Cb 0.12 -2.52 0.43 0.00 -1.45 0.00 0.00 41.25 37.83 1tby s ASN 88 CO 0.78 -0.76 1.35 2.30 -3.72 0.00 0.00 177.10 177.05 1tby n ILE 89 N 5.63 0.52 -0.32 -5.21 -5.35 -1.26 -4.43 119.36 108.94 1tby n ILE 89 Ca 0.11 -0.55 0.07 0.00 -0.27 0.00 0.00 62.75 62.10 1tby n ILE 89 Cb 0.47 0.32 0.23 0.00 -1.74 0.00 0.00 39.64 38.92 1tby n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1tby h ALA 90 N 3.85 1.37 -0.24 -1.28 0.00 -1.95 0.24 119.26 121.25 1tby h ALA 90 Ca 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1tby h ALA 90 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1tby h ALA 90 CO 0.00 0.05 -0.43 -0.44 0.00 0.00 0.00 179.25 178.43 1tby h ASP 91 N 0.79 0.80 -0.98 0.00 3.32 -1.86 -1.19 116.42 117.29 1tby h ASP 91 Ca 0.47 -0.53 0.06 0.00 0.02 0.00 0.00 57.03 57.05 1tby h ASP 91 Cb 0.56 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 39.82 1tby h ASP 91 CO -0.31 1.18 0.63 0.00 -1.72 0.00 0.00 179.24 179.02 1tby h ALA 92 N 0.64 1.35 -0.24 3.45 0.00 -1.69 -1.49 119.26 121.28 1tby h ALA 92 Ca 0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1tby h ALA 92 Cb 1.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1tby h ALA 92 CO 0.10 0.42 -0.08 0.28 0.00 0.00 0.00 179.25 179.97 1tby h VAL 93 N 1.15 1.29 -0.46 0.00 2.07 -0.71 0.18 116.25 119.77 1tby h VAL 93 Ca 0.42 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1tby h VAL 93 Cb 0.16 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1tby h VAL 93 CO -0.17 0.34 0.28 0.00 0.02 0.00 0.00 177.57 178.04 1tby h ALA 94 N 0.75 1.63 0.09 1.67 0.00 -0.97 -0.91 119.26 121.52 1tby h ALA 94 Ca 0.06 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 1tby h ALA 94 Cb 0.56 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1tby h ALA 94 CO 0.03 0.33 -1.16 0.00 0.00 0.00 0.00 179.25 178.45 1tby h ALA 96 N 0.52 1.45 -0.44 0.00 0.00 -0.59 -1.02 119.26 119.19 1tby h ALA 96 Ca -0.14 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1tby h ALA 96 Cb 1.84 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1tby h ALA 96 CO 0.21 0.48 -0.09 0.87 0.00 0.00 0.00 179.25 180.71 1tby h LYS 97 N 1.08 0.77 -0.07 0.00 1.57 -1.13 -2.71 116.57 116.08 1tby h LYS 97 Ca 0.33 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1tby h LYS 97 Cb -0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1tby h LYS 97 CO -0.09 0.84 0.04 -0.09 -0.57 0.00 0.00 179.45 179.58 1tby h ARG 98 N 0.70 0.10 -0.59 3.15 9.65 -0.96 -3.00 114.38 123.43 1tby h ARG 98 Ca 0.12 -0.01 0.12 0.00 -1.10 0.00 0.00 59.98 59.11 1tby h ARG 98 Cb 0.56 -0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 29.02 1tby h ARG 98 CO 0.03 0.09 -0.02 0.28 2.80 0.00 0.00 179.97 183.16 1tby h VAL 99 N 0.07 0.51 -0.00 0.20 2.07 -1.06 -2.21 116.25 115.81 1tby h VAL 99 Ca 0.03 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1tby h VAL 99 Cb 0.02 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1tby h VAL 99 CO -0.00 0.02 -0.02 1.33 0.02 0.00 0.00 177.57 178.91 1tby n VAL 100 N -5.29 0.00 0.64 2.57 0.24 -1.04 -2.58 118.33 112.88 1tby n VAL 100 Ca 0.08 -0.03 0.12 0.00 -2.04 0.00 0.00 64.34 62.47 1tby n VAL 100 Cb 0.33 -0.35 0.46 0.00 -1.47 0.00 0.00 33.84 32.82 1tby n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1tby n ARG 101 N -0.97 0.15 -1.80 7.34 1.74 -0.83 -4.24 116.66 118.04 1tby n ARG 101 Ca 0.19 0.22 -0.32 0.00 -0.77 0.00 0.00 57.85 57.17 1tby n ARG 101 Cb 0.19 -1.70 0.04 0.00 -1.02 0.00 0.00 32.46 29.96 1tby n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1tby s ASP 102 N -3.88 5.42 0.48 0.55 1.11 -1.07 -4.96 116.67 114.32 1tby s ASP 102 Ca 0.09 1.82 0.17 0.00 0.18 0.00 0.00 52.55 54.81 1tby s ASP 102 Cb 0.13 -2.53 1.15 0.00 1.07 0.00 0.00 42.92 42.74 1tby s ASP 102 CO 0.49 -1.42 2.05 1.55 1.18 0.00 0.00 175.17 179.02 1tby h PRO 103 N -0.05 0.00 0.00 8.23 0.13 -1.89 -1.59 132.00 136.83 1tby h PRO 103 Ca -0.46 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1tby h PRO 103 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1tby h PRO 103 CO 0.56 0.13 -0.15 1.96 -0.23 0.00 0.00 178.00 180.27 1tby h GLN 104 N 0.00 0.00 0.00 0.86 7.50 -1.92 -3.48 115.11 118.08 1tby h GLN 104 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1tby h GLN 104 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.77 1tby h GLN 104 CO 0.02 0.15 0.00 0.41 -1.50 0.00 0.00 178.83 177.91 1tby n GLY 105 N -0.96 2.76 0.15 3.46 0.00 -0.60 -2.39 105.19 107.61 1tby n GLY 105 Ca -0.02 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.73 1tby n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1tby h ILE 106 N 0.00 0.00 0.00 -0.61 2.10 -1.90 -2.47 117.51 114.63 1tby h ILE 106 Ca 0.00 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.66 1tby h ILE 106 Cb 0.00 1.05 0.00 0.00 -1.09 0.00 0.00 36.82 36.78 1tby h ILE 106 CO 0.00 0.00 0.00 0.54 -1.08 0.00 0.00 178.15 177.61 1tby n ARG 107 N -2.37 0.13 0.27 2.19 1.74 -1.01 -1.88 116.66 115.74 1tby n ARG 107 Ca 0.02 0.63 0.13 0.00 -0.77 0.00 0.00 57.85 57.85 1tby n ARG 107 Cb 0.24 -1.94 0.80 0.00 -1.02 0.00 0.00 32.46 30.55 1tby n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tby h ALA 108 N 2.01 1.74 -2.42 7.54 0.00 -1.60 -3.36 119.26 123.17 1tby h ALA 108 Ca 0.00 -0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 1tby h ALA 108 Cb 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.61 1tby h ALA 108 CO 0.00 -0.03 -0.26 -1.58 0.00 0.00 0.00 179.25 177.38 1tby s TRP 109 N -4.81 3.19 0.35 0.00 0.51 -0.79 -4.95 118.94 112.45 1tby s TRP 109 Ca -0.05 -0.39 0.03 0.00 -2.12 0.00 0.00 56.10 53.57 1tby s TRP 109 Cb 0.16 -2.81 0.65 0.00 -0.81 0.00 0.00 33.47 30.66 1tby s TRP 109 CO 0.60 -0.65 2.01 -0.24 -0.51 0.00 0.00 176.95 178.16 1tby h VAL 110 N 5.69 1.16 -0.47 4.03 3.04 -1.87 -0.75 116.25 127.08 1tby h VAL 110 Ca -0.27 -0.30 0.14 0.00 -1.01 0.00 0.00 66.70 65.26 1tby h VAL 110 Cb 1.12 0.27 -0.02 0.00 -2.01 0.00 0.00 31.29 30.64 1tby h VAL 110 CO 0.77 0.16 0.40 0.00 -1.01 0.00 0.00 177.57 177.89 1tby h ALA 111 N 1.61 2.30 -0.20 3.17 0.00 -1.93 0.14 119.26 124.34 1tby h ALA 111 Ca 0.22 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1tby h ALA 111 Cb -0.09 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1tby h ALA 111 CO -0.05 -0.65 -0.17 2.35 0.00 0.00 0.00 179.25 180.74 1tby h TRP 112 N 0.00 0.55 -0.65 0.00 7.01 -1.44 -1.51 115.95 119.90 1tby h TRP 112 Ca 0.22 -0.16 0.00 0.00 2.11 0.00 0.00 58.89 61.07 1tby h TRP 112 Cb 1.03 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.94 1tby h TRP 112 CO 0.00 0.80 0.42 0.00 -2.79 0.00 0.00 178.44 176.87 1tby h ARG 113 N 0.13 0.86 -0.38 2.65 3.08 -1.06 0.14 114.38 119.80 1tby h ARG 113 Ca 0.03 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 1tby h ARG 113 Cb 0.70 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1tby h ARG 113 CO 0.04 0.58 -0.25 -0.91 -1.07 0.00 0.00 179.97 178.37 1tby h ASN 114 N 0.88 0.87 0.00 7.04 2.35 -1.08 -3.36 115.58 122.28 1tby h ASN 114 Ca 0.24 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1tby h ASN 114 Cb -0.08 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.05 1tby h ASN 114 CO -0.05 1.12 -0.71 0.54 -1.65 0.00 0.00 177.43 176.67 1tby n ARG 115 N -4.20 2.89 0.00 0.81 3.00 -0.57 -4.86 116.66 113.73 1tby n ARG 115 Ca -0.02 -0.02 0.00 0.00 -0.01 0.00 0.00 57.85 57.80 1tby n ARG 115 Cb 0.46 -1.04 0.00 0.00 0.00 0.00 0.00 32.46 31.88 1tby n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1tby n GLN 117 N -2.04 2.28 -2.27 0.00 7.27 -0.40 -2.46 117.38 119.75 1tby n GLN 117 Ca 0.00 0.82 -0.17 0.00 0.07 0.00 0.00 57.00 57.72 1tby n GLN 117 Cb 0.25 -2.57 -0.01 0.00 2.41 0.00 0.00 30.24 30.32 1tby n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1tby n ASN 118 N 2.97 -4.98 -4.34 1.69 3.02 -1.26 -4.96 115.26 107.40 1tby n ASN 118 Ca 0.14 0.01 -0.18 0.00 -0.03 0.00 0.00 54.58 54.53 1tby n ASN 118 Cb 0.31 -4.07 -0.10 0.00 -0.61 0.00 0.00 39.78 35.31 1tby n ASN 118 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1tby s ARG 119 N -4.76 1.31 -0.43 3.52 0.52 -1.03 -5.08 118.95 113.01 1tby s ARG 119 Ca 0.00 -1.62 -0.28 0.00 -0.52 0.00 0.00 55.73 53.31 1tby s ARG 119 Cb 0.00 -0.87 0.02 0.00 0.52 0.00 0.00 34.95 34.62 1tby s ARG 119 CO 0.00 0.05 1.05 0.34 0.02 0.00 0.00 175.30 176.76 1tby s ASP 120 N -3.30 6.67 0.00 0.23 2.15 -1.26 -4.88 116.67 116.27 1tby s ASP 120 Ca 0.24 0.52 0.10 0.00 0.43 0.00 0.00 52.55 53.84 1tby s ASP 120 Cb 0.03 -2.51 0.28 0.00 -0.30 0.00 0.00 42.92 40.41 1tby s ASP 120 CO 0.07 -1.08 1.22 1.33 -0.17 0.00 0.00 175.17 176.54 1tby n VAL 121 N 6.44 0.96 0.21 1.11 0.24 -1.26 -4.69 118.33 121.34 1tby n VAL 121 Ca 0.10 -0.98 0.09 0.00 -2.04 0.00 0.00 64.34 61.51 1tby n VAL 121 Cb 0.48 0.53 0.41 0.00 -1.47 0.00 0.00 33.84 33.79 1tby n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1tby h ARG 122 N 1.91 0.00 -0.11 7.34 -0.00 -1.91 -2.35 114.38 119.26 1tby h ARG 122 Ca 0.00 0.00 0.03 0.00 -0.50 0.00 0.00 59.98 59.51 1tby h ARG 122 Cb 0.71 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.67 1tby h ARG 122 CO 0.00 0.26 0.22 -0.56 0.00 0.00 0.00 179.97 179.89 1tby h GLN 123 N 0.00 0.00 0.00 0.04 -0.00 -1.97 -1.03 115.11 112.16 1tby h GLN 123 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.60 1tby h GLN 123 Cb 0.82 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.29 1tby h GLN 123 CO 0.03 0.00 -0.21 1.88 -0.00 0.00 0.00 178.83 180.54 1tby h TYR 124 N 0.00 0.00 -0.01 0.06 0.05 -1.76 -3.26 116.97 112.05 1tby h TYR 124 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1tby h TYR 124 Cb 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.23 1tby h TYR 124 CO 0.00 0.21 -0.22 1.33 -1.05 0.00 0.00 178.16 178.43 1tby n VAL 125 N -3.40 0.00 -1.95 -2.88 0.24 -0.43 -4.88 118.33 105.03 1tby n VAL 125 Ca -0.00 -0.39 -0.42 0.00 -2.04 0.00 0.00 64.34 61.49 1tby n VAL 125 Cb 0.41 1.15 -0.03 0.00 -1.47 0.00 0.00 33.84 33.90 1tby n VAL 125 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1tby s GLN 126 N -1.48 4.20 0.00 7.34 0.74 -0.98 -2.47 119.66 127.01 1tby s GLN 126 Ca 0.10 2.29 0.00 0.00 0.05 0.00 0.00 55.36 57.80 1tby s GLN 126 Cb 0.10 -3.72 0.00 0.00 1.10 0.00 0.00 33.01 30.49 1tby s GLN 126 CO 0.29 -0.76 0.00 0.41 -0.55 0.00 0.00 175.29 174.68 1tby n GLY 127 N 4.03 0.83 0.08 2.59 0.00 -1.26 -4.92 105.19 106.54 1tby n GLY 127 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 1tby n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tby n GLY 129 N 1.36 -0.18 0.00 0.00 0.00 -1.26 -4.86 105.19 100.24 1tby n GLY 129 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1tby n GLY 129 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87