#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yam s VAL 2 N 0.00 3.99 0.59 0.58 1.01 -1.26 -1.31 120.40 124.01 1yam s VAL 2 Ca 0.00 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 60.77 1yam s VAL 2 Cb 0.00 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1yam s VAL 2 CO 0.00 -0.19 1.08 -0.36 0.00 0.00 0.00 175.10 175.63 1yam s PHE 3 N 1.44 2.85 0.25 5.22 0.40 -0.50 -5.01 117.98 122.63 1yam s PHE 3 Ca -0.01 1.53 -0.09 0.00 -0.60 0.00 0.00 56.93 57.77 1yam s PHE 3 Cb -0.19 -3.09 -0.07 0.00 0.51 0.00 0.00 43.02 40.17 1yam s PHE 3 CO 0.04 -1.29 0.56 -1.21 0.70 0.00 0.00 175.22 174.01 1yam s GLU 4 N -3.88 3.77 0.08 0.44 0.41 -1.26 -4.87 118.70 113.39 1yam s GLU 4 Ca 0.66 0.24 -0.18 0.00 -0.41 0.00 0.00 54.97 55.28 1yam s GLU 4 Cb -0.18 -2.64 -0.06 0.00 -1.78 0.00 0.00 34.13 29.47 1yam s GLU 4 CO 0.35 0.29 1.31 -0.09 -0.49 0.00 0.00 175.26 176.63 1yam h ARG 5 N 2.36 -0.18 -0.06 1.61 2.43 -1.96 -1.58 114.38 116.99 1yam h ARG 5 Ca -0.47 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.67 1yam h ARG 5 Cb 1.17 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1yam h ARG 5 CO 0.68 -0.12 -0.16 0.00 -1.51 0.00 0.00 179.97 178.87 1yam h GLU 7 N 0.10 0.34 -0.55 0.00 4.81 -1.84 -1.00 114.58 116.43 1yam h GLU 7 Ca 0.02 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1yam h GLU 7 Cb 0.34 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1yam h GLU 7 CO 0.02 0.30 0.11 1.25 -0.73 0.00 0.00 179.01 179.96 1yam h LEU 8 N 0.29 0.86 -0.32 1.64 5.85 -0.77 -1.91 115.31 120.96 1yam h LEU 8 Ca 0.09 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.60 1yam h LEU 8 Cb 0.05 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1yam h LEU 8 CO -0.01 0.89 0.10 0.00 -0.34 0.00 0.00 178.44 179.08 1yam h ALA 9 N 1.00 0.36 -0.68 1.25 0.00 -0.94 0.76 119.26 121.02 1yam h ALA 9 Ca 0.17 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1yam h ALA 9 Cb 0.38 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1yam h ALA 9 CO 0.01 -0.30 0.21 0.00 0.00 0.00 0.00 179.25 179.17 1yam h ARG 10 N 0.24 1.04 -0.29 0.00 3.08 -1.01 -2.22 114.38 115.21 1yam h ARG 10 Ca 0.15 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1yam h ARG 10 Cb 0.13 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1yam h ARG 10 CO -0.16 0.89 0.11 1.15 -1.07 0.00 0.00 179.97 180.89 1yam h THR 11 N 1.00 1.19 -0.76 2.04 2.02 -0.55 -2.36 112.91 115.49 1yam h THR 11 Ca 0.22 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 1yam h THR 11 Cb 0.29 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 1yam h THR 11 CO -0.01 0.20 0.39 -0.07 0.37 0.00 0.00 175.52 176.40 1yam h LEU 12 N 0.31 0.97 -0.76 2.58 3.38 -0.69 -1.97 115.31 119.13 1yam h LEU 12 Ca 0.10 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1yam h LEU 12 Cb 0.20 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1yam h LEU 12 CO -0.01 0.80 0.10 0.50 0.09 0.00 0.00 178.44 179.93 1yam h LYS 13 N 1.08 1.05 0.00 1.13 3.64 -1.20 -2.35 116.57 119.90 1yam h LYS 13 Ca 0.27 -0.27 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1yam h LYS 13 Cb 0.07 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1yam h LYS 13 CO -0.04 0.96 -0.31 -0.09 -2.27 0.00 0.00 179.45 177.71 1yam h ARG 14 N 0.98 0.00 -0.19 1.90 2.43 -0.93 -1.97 114.38 116.59 1yam h ARG 14 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1yam h ARG 14 Cb 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1yam h ARG 14 CO 0.01 0.31 0.00 1.28 -1.51 0.00 0.00 179.97 180.06 1yam n LEU 15 N -3.84 1.29 -1.61 3.80 4.77 -0.79 -4.93 117.00 115.69 1yam n LEU 15 Ca -0.01 -0.60 -0.10 0.00 -0.03 0.00 0.00 56.01 55.27 1yam n LEU 15 Cb 0.39 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.37 1yam n LEU 15 CO 0.36 0.30 0.03 0.61 -1.33 0.00 0.00 177.39 177.36 1yam n GLY 16 N 0.97 0.19 0.09 -0.72 0.00 -0.74 -4.98 105.19 100.00 1yam n GLY 16 Ca 0.12 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.91 1yam n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1yam n MET 17 N -2.31 0.51 -1.97 1.61 2.81 -0.93 -4.55 117.12 112.30 1yam n MET 17 Ca -0.03 0.08 -0.42 0.00 -1.81 0.00 0.00 57.70 55.52 1yam n MET 17 Cb 0.55 -1.75 -0.03 0.00 -0.71 0.00 0.00 33.22 31.28 1yam n MET 17 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1yam s ASP 18 N -4.93 5.72 0.00 7.83 2.15 -1.26 -2.13 116.67 124.05 1yam s ASP 18 Ca 0.01 1.17 0.00 0.00 0.43 0.00 0.00 52.55 54.15 1yam s ASP 18 Cb 0.11 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1yam s ASP 18 CO 0.79 -1.87 0.00 0.61 -0.17 0.00 0.00 175.17 174.53 1yam n GLY 19 N 5.50 0.69 3.68 2.66 0.00 0.78 -4.88 105.19 113.62 1yam n GLY 19 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1yam n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1yam n TYR 20 N -2.55 2.58 -3.79 1.61 9.36 -0.91 -1.26 117.16 122.19 1yam n TYR 20 Ca 0.00 -0.27 -0.30 0.00 3.32 0.00 0.00 57.90 60.65 1yam n TYR 20 Cb 0.00 -2.77 -0.01 0.00 -0.63 0.00 0.00 39.34 35.93 1yam n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1yam n ARG 21 N 6.63 -3.72 -0.99 2.98 5.12 -1.26 -0.97 116.66 124.44 1yam n ARG 21 Ca 0.19 0.46 0.00 0.00 -1.93 0.00 0.00 57.85 56.57 1yam n ARG 21 Cb 0.39 -5.21 0.00 0.00 -1.16 0.00 0.00 32.46 26.48 1yam n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yam n GLY 22 N -1.35 0.72 3.54 -0.13 0.00 -0.39 -4.99 105.19 102.60 1yam n GLY 22 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1yam n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yam s ILE 23 N -2.94 5.19 0.70 -0.61 1.01 -0.15 -4.88 121.20 119.52 1yam s ILE 23 Ca 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 60.65 60.50 1yam s ILE 23 Cb 0.00 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.68 1yam s ILE 23 CO 0.00 -0.08 1.16 -0.94 0.00 0.00 0.00 174.94 175.08 1yam s SER 24 N 1.73 4.61 0.26 3.58 1.04 -1.26 -0.16 113.70 123.50 1yam s SER 24 Ca 0.11 2.20 -0.03 0.00 0.48 0.00 0.00 55.95 58.71 1yam s SER 24 Cb -0.17 -2.57 0.43 0.00 0.10 0.00 0.00 66.02 63.81 1yam s SER 24 CO 0.11 -1.98 1.83 0.25 0.98 0.00 0.00 173.24 174.44 1yam h LEU 25 N -0.12 0.79 -1.94 2.42 5.85 -1.90 -1.45 115.31 118.96 1yam h LEU 25 Ca -0.47 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 1yam h LEU 25 Cb 1.27 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1yam h LEU 25 CO 0.52 0.46 -0.01 0.00 -0.34 0.00 0.00 178.44 179.06 1yam h ALA 26 N 1.47 1.95 -0.27 1.25 0.00 -1.92 -1.17 119.26 120.58 1yam h ALA 26 Ca 0.42 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.12 1yam h ALA 26 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1yam h ALA 26 CO -0.23 0.04 -0.59 -0.91 0.00 0.00 0.00 179.25 177.55 1yam h ASN 27 N 0.02 0.98 -0.60 0.00 2.35 -1.59 -1.15 115.58 115.58 1yam h ASN 27 Ca 0.00 -0.54 -0.07 0.00 -0.55 0.00 0.00 56.30 55.14 1yam h ASN 27 Cb 0.04 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 1yam h ASN 27 CO 0.00 1.35 0.12 -0.50 -1.65 0.00 0.00 177.43 176.75 1yam h TRP 28 N 0.65 1.07 -0.23 1.19 4.06 -1.14 -0.87 115.95 120.68 1yam h TRP 28 Ca 0.00 -0.13 -0.03 0.00 2.06 0.00 0.00 58.89 60.80 1yam h TRP 28 Cb 1.20 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 29.05 1yam h TRP 28 CO 0.08 0.89 0.04 0.52 -3.56 0.00 0.00 178.44 176.41 1yam h MET 29 N 0.96 0.38 -0.65 0.49 2.86 -1.16 -0.83 114.93 116.97 1yam h MET 29 Ca 0.20 -0.10 0.06 0.00 -2.06 0.00 0.00 59.70 57.79 1yam h MET 29 Cb 0.39 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.95 1yam h MET 29 CO 0.01 0.52 0.36 0.00 1.06 0.00 0.00 176.91 178.85 1yam h LEU 31 N 0.66 -0.11 -1.25 0.00 5.85 -0.94 -2.17 115.31 117.36 1yam h LEU 31 Ca 0.29 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1yam h LEU 31 Cb 0.18 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1yam h LEU 31 CO -0.18 0.01 0.51 0.00 -0.34 0.00 0.00 178.44 178.43 1yam h ALA 32 N 0.67 1.46 0.30 1.25 0.00 -0.83 0.15 119.26 122.27 1yam h ALA 32 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1yam h ALA 32 Cb 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1yam h ALA 32 CO 0.02 0.50 -0.14 -0.22 0.00 0.00 0.00 179.25 179.41 1yam h LYS 33 N 1.04 -0.39 0.00 0.00 3.11 -0.89 -2.13 116.57 117.31 1yam h LYS 33 Ca 0.28 0.03 -0.11 0.00 -2.81 0.00 0.00 60.65 58.04 1yam h LYS 33 Cb -0.11 0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.19 1yam h LYS 33 CO -0.06 -0.18 -0.52 -1.49 -2.81 0.00 0.00 179.45 174.39 1yam h TRP 34 N -0.52 0.00 0.01 1.91 4.06 -1.21 -1.24 115.95 118.95 1yam h TRP 34 Ca -0.04 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.86 1yam h TRP 34 Cb 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.55 1yam h TRP 34 CO -0.02 0.52 -0.18 0.93 -3.56 0.00 0.00 178.44 176.12 1yam h GLU 35 N 0.00 0.11 0.00 0.49 4.39 -0.96 -3.43 114.58 115.18 1yam h GLU 35 Ca -0.01 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1yam h GLU 35 Cb 1.07 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1yam h GLU 35 CO 0.07 0.93 -0.08 -1.13 -1.16 0.00 0.00 179.01 177.64 1yam n SER 36 N -4.55 0.40 -0.44 1.42 3.41 -0.83 -4.86 113.62 108.17 1yam n SER 36 Ca -0.10 -0.24 -0.04 0.00 -0.26 0.00 0.00 58.87 58.23 1yam n SER 36 Cb 0.50 0.57 -0.00 0.00 -0.26 0.00 0.00 64.21 65.01 1yam n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yam n GLY 37 N 0.69 0.24 2.35 5.00 0.00 -0.47 -3.04 105.19 109.96 1yam n GLY 37 Ca 0.00 -0.74 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 1yam n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1yam n TYR 38 N -3.91 -0.84 -3.71 1.61 4.01 -1.15 -4.79 117.16 108.38 1yam n TYR 38 Ca -0.05 0.06 -0.38 0.00 -0.16 0.00 0.00 57.90 57.37 1yam n TYR 38 Cb 0.50 -3.25 -0.12 0.00 -0.31 0.00 0.00 39.34 36.16 1yam n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1yam s ASN 39 N -2.38 5.33 0.49 7.72 2.47 -1.17 -1.41 114.94 125.99 1yam s ASN 39 Ca 0.03 -0.55 0.31 0.00 0.42 0.00 0.00 52.86 53.08 1yam s ASN 39 Cb -0.01 -1.95 1.22 0.00 -1.45 0.00 0.00 41.25 39.06 1yam s ASN 39 CO 0.04 -0.17 1.91 0.71 -3.72 0.00 0.00 177.10 175.87 1yam h THR 40 N 5.72 0.00 -0.27 -5.21 1.35 -1.53 -3.16 112.91 109.81 1yam h THR 40 Ca -0.33 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1yam h THR 40 Cb 1.14 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1yam h THR 40 CO 0.61 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.77 1yam n ARG 41 N -2.93 2.36 -2.14 4.72 -4.01 -1.26 -4.10 116.66 109.30 1yam n ARG 41 Ca 0.01 -2.03 -0.41 0.00 -1.04 0.00 0.00 57.85 54.38 1yam n ARG 41 Cb 0.31 -1.49 -0.02 0.00 -3.04 0.00 0.00 32.46 28.22 1yam n ARG 41 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1yam s ALA 42 N -1.66 3.51 0.03 2.89 0.00 -1.20 -4.82 121.76 120.51 1yam s ALA 42 Ca 0.36 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.55 1yam s ALA 42 Cb 0.22 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1yam s ALA 42 CO 0.31 -0.61 -0.05 0.95 0.00 0.00 0.00 175.76 176.36 1yam s THR 43 N -0.79 0.35 -0.11 0.00 -4.23 -1.26 -0.36 115.64 109.24 1yam s THR 43 Ca 0.51 -0.81 -0.03 0.00 -1.18 0.00 0.00 61.69 60.18 1yam s THR 43 Cb -0.39 -0.42 0.04 0.00 1.34 0.00 0.00 72.50 73.08 1yam s THR 43 CO 0.49 -0.31 0.06 0.21 -0.54 0.00 0.00 174.62 174.53 1yam s ASN 44 N -1.18 1.85 -0.01 3.99 2.47 -0.54 -4.97 114.94 116.55 1yam s ASN 44 Ca -0.09 -0.31 -0.24 0.00 0.42 0.00 0.00 52.86 52.64 1yam s ASN 44 Cb -0.08 -0.26 -0.05 0.00 -1.45 0.00 0.00 41.25 39.42 1yam s ASN 44 CO -0.00 -0.29 0.74 -0.47 -3.72 0.00 0.00 177.10 173.36 1yam s TYR 45 N 2.11 3.66 -0.71 0.43 5.04 -1.26 -0.66 117.35 125.95 1yam s TYR 45 Ca 0.03 1.37 -0.10 0.00 -2.44 0.00 0.00 57.07 55.94 1yam s TYR 45 Cb -0.14 -2.82 0.19 0.00 0.35 0.00 0.00 41.96 39.54 1yam s TYR 45 CO -0.06 0.19 0.60 -0.80 -1.34 0.00 0.00 175.55 174.14 1yam s ASN 46 N 0.35 6.11 0.54 4.32 0.01 0.16 -4.91 114.94 121.52 1yam s ASN 46 Ca 0.38 -2.63 0.25 0.00 -0.71 0.00 0.00 52.86 50.16 1yam s ASN 46 Cb -0.19 -2.07 1.44 0.00 0.41 0.00 0.00 41.25 40.84 1yam s ASN 46 CO 0.21 -0.53 2.02 0.00 -1.51 0.00 0.00 177.10 177.28 1yam h ALA 47 N 7.64 2.33 -0.94 0.60 0.00 -1.95 0.59 119.26 127.52 1yam h ALA 47 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yam h ALA 47 Cb 1.02 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1yam h ALA 47 CO 0.76 -0.55 0.60 0.78 0.00 0.00 0.00 179.25 180.84 1yam h GLY 48 N 0.00 1.34 0.00 0.00 0.00 -1.94 -3.30 103.07 99.17 1yam h GLY 48 Ca 0.20 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1yam h GLY 48 CO -0.00 0.52 0.00 2.09 0.00 0.00 0.00 176.54 179.14 1yam n ASP 49 N -4.40 1.10 -1.26 0.19 5.75 -1.05 -5.03 116.55 111.85 1yam n ASP 49 Ca 0.11 -1.39 -0.12 0.00 -0.01 0.00 0.00 54.79 53.37 1yam n ASP 49 Cb 0.03 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.10 1yam n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1yam n ARG 50 N -0.20 -0.95 -3.92 0.11 1.74 0.17 -4.81 116.66 108.81 1yam n ARG 50 Ca 0.00 0.72 -0.22 0.00 -0.77 0.00 0.00 57.85 57.58 1yam n ARG 50 Cb 0.21 -4.86 -0.05 0.00 -1.02 0.00 0.00 32.46 26.74 1yam n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1yam s SER 51 N -2.59 5.09 0.01 0.55 1.04 -1.20 -4.49 113.70 112.12 1yam s SER 51 Ca 0.00 -0.58 0.04 0.00 0.48 0.00 0.00 55.95 55.89 1yam s SER 51 Cb 0.00 -0.91 -0.01 0.00 0.10 0.00 0.00 66.02 65.20 1yam s SER 51 CO 0.00 -0.32 -0.13 -0.89 0.98 0.00 0.00 173.24 172.88 1yam s THR 52 N -2.34 0.99 -0.13 2.02 2.01 -1.26 -0.67 115.64 116.27 1yam s THR 52 Ca 0.39 -0.67 -0.14 0.00 0.31 0.00 0.00 61.69 61.59 1yam s THR 52 Cb -0.05 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 1yam s THR 52 CO 0.25 0.18 0.31 -1.81 -0.69 0.00 0.00 174.62 172.87 1yam s ASP 53 N -0.55 6.52 -0.08 3.53 1.01 0.16 -1.47 116.67 125.78 1yam s ASP 53 Ca 0.04 0.61 0.05 0.00 0.71 0.00 0.00 52.55 53.95 1yam s ASP 53 Cb -0.06 -2.19 -0.00 0.00 1.01 0.00 0.00 42.92 41.68 1yam s ASP 53 CO 0.00 0.16 -0.23 -0.31 0.21 0.00 0.00 175.17 175.00 1yam s TYR 54 N 0.07 2.42 0.00 4.23 2.02 0.11 -1.46 117.35 124.74 1yam s TYR 54 Ca 0.18 -0.90 0.00 0.00 -0.37 0.00 0.00 57.07 55.98 1yam s TYR 54 Cb -0.14 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.81 1yam s TYR 54 CO 0.06 -0.34 0.00 0.41 -1.57 0.00 0.00 175.55 174.11 1yam n GLY 55 N 3.35 -1.88 0.33 0.71 0.00 0.52 -1.82 105.19 106.40 1yam n GLY 55 Ca -0.19 -1.38 0.08 0.00 0.00 0.00 0.00 46.02 44.54 1yam n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1yam h ILE 56 N 0.00 1.00 -0.19 -0.61 2.10 -1.70 -1.20 117.51 116.91 1yam h ILE 56 Ca 0.00 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.78 1yam h ILE 56 Cb 0.00 0.49 0.00 0.00 -1.09 0.00 0.00 36.82 36.22 1yam h ILE 56 CO 0.00 0.08 0.00 0.49 -1.08 0.00 0.00 178.15 177.64 1yam n PHE 57 N -4.48 0.23 -3.74 2.19 3.72 -1.26 -3.94 117.46 110.19 1yam n PHE 57 Ca 0.06 -0.13 -0.29 0.00 -0.05 0.00 0.00 57.45 57.04 1yam n PHE 57 Cb 0.22 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.78 1yam n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1yam n GLN 58 N 1.26 -1.95 -2.58 -1.08 1.13 -0.45 -4.92 117.38 108.79 1yam n GLN 58 Ca 0.15 0.46 -0.42 0.00 -1.94 0.00 0.00 57.00 55.25 1yam n GLN 58 Cb 0.55 -4.30 -0.03 0.00 0.11 0.00 0.00 30.24 26.57 1yam n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1yam s ILE 59 N -3.58 4.49 0.15 5.09 1.01 -0.76 -4.42 121.20 123.18 1yam s ILE 59 Ca 0.34 1.78 -0.30 0.00 0.00 0.00 0.00 60.65 62.48 1yam s ILE 59 Cb -0.12 -4.14 -0.07 0.00 0.01 0.00 0.00 42.46 38.14 1yam s ILE 59 CO 0.86 0.13 0.94 0.21 0.00 0.00 0.00 174.94 177.08 1yam s ASN 60 N 1.05 7.53 0.22 3.58 3.84 -1.26 -0.71 114.94 129.19 1yam s ASN 60 Ca 0.55 1.82 0.23 0.00 0.21 0.00 0.00 52.86 55.67 1yam s ASN 60 Cb -0.25 -2.59 0.93 0.00 -0.55 0.00 0.00 41.25 38.80 1yam s ASN 60 CO 0.28 0.02 1.70 -1.54 -2.79 0.00 0.00 177.10 174.77 1yam n SER 61 N 2.34 0.61 0.20 -4.21 3.41 -0.54 -2.28 113.62 113.15 1yam n SER 61 Ca 0.00 0.63 0.05 0.00 -0.26 0.00 0.00 58.87 59.30 1yam n SER 61 Cb 0.48 -0.77 0.42 0.00 -0.26 0.00 0.00 64.21 64.08 1yam n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1yam h ARG 62 N 0.00 0.00 0.00 4.33 2.43 -1.83 -3.40 114.38 115.92 1yam h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1yam h ARG 62 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1yam h ARG 62 CO 0.00 0.33 -0.61 0.66 -1.51 0.00 0.00 179.97 178.85 1yam n TYR 63 N -3.84 0.00 -0.04 2.20 4.01 -1.21 0.08 117.16 118.37 1yam n TYR 63 Ca -0.01 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.57 1yam n TYR 63 Cb 0.41 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.30 1yam n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1yam n TRP 64 N -1.79 0.85 -4.16 -0.72 7.02 -0.97 -0.33 117.44 117.34 1yam n TRP 64 Ca 0.00 0.22 -0.10 0.00 -1.02 0.00 0.00 57.50 56.60 1yam n TRP 64 Cb 0.30 -1.13 -0.10 0.00 -2.42 0.00 0.00 31.31 27.96 1yam n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1yam s ASN 66 N -3.04 5.36 0.00 0.00 2.47 -0.19 -4.57 114.94 114.97 1yam s ASN 66 Ca 0.15 -0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.39 1yam s ASN 66 Cb 0.06 -1.93 0.00 0.00 -1.45 0.00 0.00 41.25 37.94 1yam s ASN 66 CO -0.04 0.11 0.76 -0.90 -3.72 0.00 0.00 177.10 173.31 1yam n ASP 67 N 3.96 1.45 0.00 -4.21 5.75 -1.26 -1.55 116.55 120.69 1yam n ASP 67 Ca -0.16 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 1yam n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1yam n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yam n GLY 68 N -0.28 1.65 0.85 6.12 0.00 -1.26 -4.70 105.19 107.57 1yam n GLY 68 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1yam n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1yam n LYS 69 N -0.81 2.04 -3.20 1.61 2.85 -1.26 -4.92 118.16 114.47 1yam n LYS 69 Ca 0.00 -1.74 -0.40 0.00 -1.05 0.00 0.00 58.31 55.12 1yam n LYS 69 Cb 0.00 -1.44 -0.07 0.00 -0.65 0.00 0.00 35.03 32.88 1yam n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1yam s THR 70 N -1.95 5.06 0.30 0.58 2.01 -1.26 -4.97 115.64 115.40 1yam s THR 70 Ca 0.25 1.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.96 1yam s THR 70 Cb 0.19 -3.87 -0.10 0.00 0.01 0.00 0.00 72.50 68.73 1yam s THR 70 CO 0.32 0.11 1.39 -2.84 -0.69 0.00 0.00 174.62 172.91 1yam s PRO 71 N 2.05 4.28 -1.53 4.92 0.02 -1.26 -3.46 135.00 140.02 1yam s PRO 71 Ca 0.24 2.30 -0.08 0.00 0.02 0.00 0.00 61.00 63.49 1yam s PRO 71 Cb -0.16 -3.08 0.07 0.00 0.02 0.00 0.00 34.50 31.35 1yam s PRO 71 CO 0.09 -0.34 0.58 0.41 -0.33 0.00 0.00 177.00 177.41 1yam n GLY 72 N 1.42 -0.32 3.88 0.52 0.00 -1.26 -4.96 105.19 104.47 1yam n GLY 72 Ca 0.03 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1yam n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yam s ALA 73 N -3.68 3.75 0.45 4.61 0.00 -1.22 -4.99 121.76 120.66 1yam s ALA 73 Ca 0.32 -1.22 0.05 0.00 0.00 0.00 0.00 51.96 51.11 1yam s ALA 73 Cb -0.17 -1.53 -0.05 0.00 0.00 0.00 0.00 23.12 21.37 1yam s ALA 73 CO 0.90 0.39 0.04 0.14 0.00 0.00 0.00 175.76 177.23 1yam s VAL 74 N -1.89 1.73 -0.43 0.00 -7.23 0.11 -4.98 120.40 107.71 1yam s VAL 74 Ca 0.33 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.60 1yam s VAL 74 Cb -0.10 -2.69 0.21 0.00 0.56 0.00 0.00 36.38 34.37 1yam s VAL 74 CO 0.26 0.00 0.46 -3.20 -0.31 0.00 0.00 175.10 172.31 1yam n ASN 75 N -1.12 0.25 0.14 4.85 5.15 -1.18 -3.55 115.26 119.80 1yam n ASN 75 Ca -0.09 -2.63 0.03 0.00 -0.60 0.00 0.00 54.58 51.29 1yam n ASN 75 Cb 0.67 -0.61 0.43 0.00 -0.53 0.00 0.00 39.78 39.74 1yam n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1yam h ALA 76 N 4.76 1.59 -0.00 5.20 0.00 -0.71 -2.29 119.26 127.80 1yam h ALA 76 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1yam h ALA 76 Cb 0.87 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1yam h ALA 76 CO 0.46 0.30 -0.11 0.00 0.00 0.00 0.00 179.25 179.90 1yam n HIS 78 N -1.26 -1.99 -4.00 0.00 -0.00 -0.86 -4.98 115.22 102.12 1yam n HIS 78 Ca 0.11 0.75 -0.10 0.00 -0.00 0.00 0.00 57.72 58.48 1yam n HIS 78 Cb 0.30 -4.12 -0.11 0.00 -0.00 0.00 0.00 29.99 26.05 1yam n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1yam s LEU 79 N -6.43 2.26 0.36 2.41 1.43 -1.26 -5.07 118.68 112.38 1yam s LEU 79 Ca 0.18 -0.55 -0.25 0.00 -1.03 0.00 0.00 54.13 52.49 1yam s LEU 79 Cb -0.05 0.06 -0.10 0.00 0.03 0.00 0.00 46.19 46.13 1yam s LEU 79 CO 0.81 -0.30 1.00 -0.55 0.23 0.00 0.00 176.35 177.54 1yam s SER 80 N -1.60 7.03 0.63 2.29 0.15 -1.26 -1.02 113.70 119.92 1yam s SER 80 Ca -0.13 1.95 0.41 0.00 0.70 0.00 0.00 55.95 58.87 1yam s SER 80 Cb -0.09 -2.58 2.08 0.00 -1.71 0.00 0.00 66.02 63.72 1yam s SER 80 CO -0.01 -0.29 2.25 0.00 1.20 0.00 0.00 173.24 176.38 1yam h SER 82 N 0.00 0.52 0.05 0.00 0.87 -1.91 -1.65 113.55 111.43 1yam h SER 82 Ca -0.00 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1yam h SER 82 Cb 0.17 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1yam h SER 82 CO 0.00 0.36 -0.01 0.00 -0.53 0.00 0.00 176.83 176.64 1yam h ALA 83 N 1.70 1.46 -0.27 6.23 0.00 -1.69 -1.14 119.26 125.54 1yam h ALA 83 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1yam h ALA 83 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1yam h ALA 83 CO -0.05 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.50 1yam n LEU 84 N -3.77 1.49 -0.09 0.00 4.77 -0.62 -3.52 117.00 115.26 1yam n LEU 84 Ca -0.03 -0.75 0.02 0.00 -0.03 0.00 0.00 56.01 55.22 1yam n LEU 84 Cb 0.10 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1yam n LEU 84 CO 0.27 0.36 0.52 0.18 -1.33 0.00 0.00 177.39 177.40 1yam n LEU 85 N 0.29 2.17 -4.86 2.23 4.77 -0.43 -3.49 117.00 117.68 1yam n LEU 85 Ca 0.09 -2.14 -0.30 0.00 -0.03 0.00 0.00 56.01 53.63 1yam n LEU 85 Cb 0.24 -0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.29 1yam n LEU 85 CO 0.06 0.55 0.73 -1.10 -1.33 0.00 0.00 177.39 176.30 1yam s GLN 86 N -1.24 2.99 0.20 3.23 -0.21 -1.23 -4.57 119.66 118.83 1yam s GLN 86 Ca 0.07 0.64 0.08 0.00 0.02 0.00 0.00 55.36 56.16 1yam s GLN 86 Cb 0.05 -2.02 0.09 0.00 1.00 0.00 0.00 33.01 32.13 1yam s GLN 86 CO 0.02 -0.98 1.45 -0.44 -2.12 0.00 0.00 175.29 173.23 1yam h ASP 87 N -0.62 0.06 -3.39 5.90 3.32 -1.93 -3.41 116.42 116.35 1yam h ASP 87 Ca -0.45 -0.05 -0.59 0.00 0.02 0.00 0.00 57.03 55.97 1yam h ASP 87 Cb 1.23 -0.02 -0.08 0.00 0.22 0.00 0.00 39.33 40.68 1yam h ASP 87 CO 0.62 0.83 0.67 0.21 -1.72 0.00 0.00 179.24 179.84 1yam s ASN 88 N -6.82 6.80 -0.03 6.45 2.47 -1.26 -4.87 114.94 117.68 1yam s ASN 88 Ca -0.01 0.83 0.09 0.00 0.42 0.00 0.00 52.86 54.18 1yam s ASN 88 Cb 0.11 -2.49 0.29 0.00 -1.45 0.00 0.00 41.25 37.72 1yam s ASN 88 CO 0.80 -0.81 1.17 2.30 -3.72 0.00 0.00 177.10 176.84 1yam n ILE 89 N 5.81 0.62 -0.14 -5.21 -5.35 -1.26 -4.44 119.36 109.39 1yam n ILE 89 Ca 0.09 -0.46 -0.04 0.00 -0.27 0.00 0.00 62.75 62.07 1yam n ILE 89 Cb 0.48 0.04 0.05 0.00 -1.74 0.00 0.00 39.64 38.46 1yam n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1yam h ALA 90 N 3.37 0.51 -0.44 -1.28 0.00 -1.95 -0.65 119.26 118.82 1yam h ALA 90 Ca 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1yam h ALA 90 Cb 0.61 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1yam h ALA 90 CO 0.06 -0.27 -0.20 -0.44 0.00 0.00 0.00 179.25 178.39 1yam h ASP 91 N 0.27 0.89 -0.70 0.00 3.32 -1.88 -1.70 116.42 116.63 1yam h ASP 91 Ca 0.21 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1yam h ASP 91 Cb 0.24 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1yam h ASP 91 CO -0.25 1.06 0.30 0.00 -1.72 0.00 0.00 179.24 178.64 1yam h ALA 92 N 1.00 1.18 -0.24 3.45 0.00 -1.67 -1.47 119.26 121.51 1yam h ALA 92 Ca 0.11 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1yam h ALA 92 Cb 0.74 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1yam h ALA 92 CO 0.06 0.60 -0.11 0.28 0.00 0.00 0.00 179.25 180.08 1yam h VAL 93 N 1.03 1.30 -0.44 0.00 2.07 -0.98 -0.60 116.25 118.64 1yam h VAL 93 Ca 0.24 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1yam h VAL 93 Cb 0.17 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1yam h VAL 93 CO -0.02 0.36 0.21 0.00 0.02 0.00 0.00 177.57 178.14 1yam h ALA 94 N 0.73 1.55 -0.13 1.67 0.00 -1.07 -0.95 119.26 121.05 1yam h ALA 94 Ca 0.05 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 1yam h ALA 94 Cb 0.61 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1yam h ALA 94 CO 0.03 0.37 -0.79 0.00 0.00 0.00 0.00 179.25 178.86 1yam h ALA 96 N 0.52 1.42 -0.52 0.00 0.00 -0.66 -0.28 119.26 119.74 1yam h ALA 96 Ca -0.06 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1yam h ALA 96 Cb 1.43 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1yam h ALA 96 CO 0.16 0.49 0.04 0.87 0.00 0.00 0.00 179.25 180.81 1yam h LYS 97 N 0.91 0.85 -0.44 0.00 1.57 -1.09 -2.40 116.57 115.97 1yam h LYS 97 Ca 0.23 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1yam h LYS 97 Cb 0.01 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1yam h LYS 97 CO -0.04 0.82 0.11 -0.09 -0.57 0.00 0.00 179.45 179.69 1yam h ARG 98 N 0.80 0.70 -0.50 3.15 9.65 -0.78 -2.87 114.38 124.52 1yam h ARG 98 Ca 0.16 -0.16 0.05 0.00 -1.10 0.00 0.00 59.98 58.93 1yam h ARG 98 Cb 0.42 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.86 1yam h ARG 98 CO 0.01 0.69 0.22 0.28 2.80 0.00 0.00 179.97 183.98 1yam h VAL 99 N 0.57 0.90 0.00 0.20 2.07 -0.72 -2.15 116.25 117.12 1yam h VAL 99 Ca 0.14 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1yam h VAL 99 Cb 0.31 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1yam h VAL 99 CO 0.00 0.08 0.00 1.33 0.02 0.00 0.00 177.57 179.00 1yam n VAL 100 N -4.93 0.15 1.13 2.57 0.24 -0.94 -2.67 118.33 113.87 1yam n VAL 100 Ca 0.05 0.04 0.14 0.00 -2.04 0.00 0.00 64.34 62.52 1yam n VAL 100 Cb 0.16 -0.62 0.66 0.00 -1.47 0.00 0.00 33.84 32.57 1yam n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1yam n ARG 101 N -1.21 0.14 -2.34 7.34 1.74 -0.81 -4.27 116.66 117.25 1yam n ARG 101 Ca 0.14 0.01 -0.28 0.00 -0.77 0.00 0.00 57.85 56.94 1yam n ARG 101 Cb 0.17 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.12 1yam n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1yam s ASP 102 N -2.85 6.09 0.29 0.55 1.11 -1.09 -4.99 116.67 115.78 1yam s ASP 102 Ca 0.19 1.04 0.04 0.00 0.18 0.00 0.00 52.55 53.99 1yam s ASP 102 Cb 0.19 -2.20 0.73 0.00 1.07 0.00 0.00 42.92 42.72 1yam s ASP 102 CO 0.50 -0.78 1.69 1.55 1.18 0.00 0.00 175.17 179.30 1yam h PRO 103 N -0.04 0.36 0.00 8.23 0.13 -1.89 -1.74 132.00 137.05 1yam h PRO 103 Ca -0.46 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1yam h PRO 103 Cb 1.21 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1yam h PRO 103 CO 0.62 0.24 -0.04 1.96 -0.23 0.00 0.00 178.00 180.55 1yam h GLN 104 N 0.37 0.00 0.00 0.86 4.20 -1.91 -3.48 115.11 115.15 1yam h GLN 104 Ca 0.56 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.27 1yam h GLN 104 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1yam h GLN 104 CO -0.55 0.04 0.00 0.41 -0.67 0.00 0.00 178.83 178.06 1yam n GLY 105 N -1.36 2.23 0.25 3.46 0.00 -0.66 -2.10 105.19 107.01 1yam n GLY 105 Ca -0.03 -0.49 0.17 0.00 0.00 0.00 0.00 46.02 45.66 1yam n GLY 105 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1yam h VAL 106 N 0.00 0.00 0.00 1.61 3.04 -1.91 -2.40 116.25 116.60 1yam h VAL 106 Ca 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 1yam h VAL 106 Cb 0.00 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 1yam h VAL 106 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.57 177.10 1yam n ARG 107 N -2.76 0.04 -0.02 4.17 1.74 -0.89 -2.77 116.66 116.16 1yam n ARG 107 Ca -0.01 0.31 0.13 0.00 -0.77 0.00 0.00 57.85 57.52 1yam n ARG 107 Cb 0.16 -1.50 0.56 0.00 -1.02 0.00 0.00 32.46 30.66 1yam n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yam h ALA 108 N 2.33 2.13 -2.58 7.54 0.00 -1.60 -3.38 119.26 123.70 1yam h ALA 108 Ca 0.00 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.25 1yam h ALA 108 Cb 0.13 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 17.72 1yam h ALA 108 CO 0.00 -0.25 -0.18 -1.58 0.00 0.00 0.00 179.25 177.24 1yam s TRP 109 N -5.27 3.21 0.33 0.00 0.51 -1.11 -4.96 118.94 111.65 1yam s TRP 109 Ca -0.07 0.21 0.01 0.00 -2.12 0.00 0.00 56.10 54.13 1yam s TRP 109 Cb 0.19 -2.73 0.55 0.00 -0.81 0.00 0.00 33.47 30.67 1yam s TRP 109 CO 0.74 -0.40 1.96 0.28 -0.51 0.00 0.00 176.95 179.02 1yam h VAL 110 N 5.51 1.19 -0.33 4.03 2.07 -1.89 -1.86 116.25 124.96 1yam h VAL 110 Ca -0.30 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 66.85 1yam h VAL 110 Cb 1.14 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1yam h VAL 110 CO 0.71 0.20 0.23 0.00 0.02 0.00 0.00 177.57 178.72 1yam h ALA 111 N 1.53 2.00 -0.62 1.67 0.00 -1.94 -1.06 119.26 120.84 1yam h ALA 111 Ca 0.23 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1yam h ALA 111 Cb -0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1yam h ALA 111 CO -0.04 -0.06 0.08 2.35 0.00 0.00 0.00 179.25 181.58 1yam h TRP 112 N 0.25 1.10 -0.59 0.00 7.01 -1.66 -1.67 115.95 120.38 1yam h TRP 112 Ca 0.15 -0.15 -0.08 0.00 2.11 0.00 0.00 58.89 60.91 1yam h TRP 112 Cb 0.27 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 1yam h TRP 112 CO -0.00 0.93 0.05 0.00 -2.79 0.00 0.00 178.44 176.64 1yam h ARG 113 N 0.96 1.01 -0.21 2.65 3.08 -1.26 0.45 114.38 121.06 1yam h ARG 113 Ca 0.19 -0.29 -0.12 0.00 0.07 0.00 0.00 59.98 59.83 1yam h ARG 113 Cb 0.45 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1yam h ARG 113 CO 0.01 0.97 -0.32 -0.91 -1.07 0.00 0.00 179.97 178.65 1yam h ASN 114 N 0.90 0.65 -0.00 7.04 2.35 -1.27 -3.37 115.58 121.88 1yam h ASN 114 Ca 0.17 -0.52 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 1yam h ASN 114 Cb 0.48 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1yam h ASN 114 CO 0.02 1.04 -0.04 -2.11 -1.65 0.00 0.00 177.43 174.70 1yam n ARG 115 N -4.31 1.09 0.00 0.81 0.00 -0.64 -4.87 116.66 108.74 1yam n ARG 115 Ca -0.05 -0.54 0.00 0.00 -0.00 0.00 0.00 57.85 57.26 1yam n ARG 115 Cb 0.49 -0.96 0.00 0.00 -0.00 0.00 0.00 32.46 31.98 1yam n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1yam n GLN 117 N -2.67 1.69 -2.07 0.00 7.27 -0.06 -2.18 117.38 119.36 1yam n GLN 117 Ca 0.00 0.61 -0.17 0.00 0.07 0.00 0.00 57.00 57.51 1yam n GLN 117 Cb 0.45 -2.28 -0.03 0.00 2.41 0.00 0.00 30.24 30.79 1yam n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1yam n ASN 118 N 2.75 -4.83 -4.70 1.69 5.03 -1.26 -4.97 115.26 108.97 1yam n ASN 118 Ca 0.16 0.21 -0.26 0.00 0.87 0.00 0.00 54.58 55.56 1yam n ASN 118 Cb 0.26 -4.16 -0.09 0.00 -1.02 0.00 0.00 39.78 34.77 1yam n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1yam s ARG 119 N -4.44 2.13 -0.68 3.52 0.52 -0.93 -5.06 118.95 114.00 1yam s ARG 119 Ca 0.00 -1.95 -0.24 0.00 -0.52 0.00 0.00 55.73 53.02 1yam s ARG 119 Cb 0.00 -1.85 0.05 0.00 0.52 0.00 0.00 34.95 33.67 1yam s ARG 119 CO 0.00 -0.10 1.08 0.34 0.02 0.00 0.00 175.30 176.65 1yam s ASP 120 N -3.84 6.18 0.00 0.23 -1.08 -1.26 -4.84 116.67 112.06 1yam s ASP 120 Ca 0.38 -0.74 0.25 0.00 -0.52 0.00 0.00 52.55 51.93 1yam s ASP 120 Cb 0.06 -2.47 0.61 0.00 -1.46 0.00 0.00 42.92 39.66 1yam s ASP 120 CO 0.21 -1.58 1.50 1.33 0.52 0.00 0.00 175.17 177.14 1yam n VAL 121 N 6.12 0.04 0.11 1.11 0.24 -1.26 -4.39 118.33 120.30 1yam n VAL 121 Ca -0.01 -0.40 0.17 0.00 -2.04 0.00 0.00 64.34 62.06 1yam n VAL 121 Cb 0.47 0.97 0.72 0.00 -1.47 0.00 0.00 33.84 34.52 1yam n VAL 121 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1yam h ARG 122 N 3.53 0.00 -0.35 7.34 0.11 -1.92 -2.17 114.38 120.92 1yam h ARG 122 Ca 0.00 0.00 0.08 0.00 0.10 0.00 0.00 59.98 60.16 1yam h ARG 122 Cb 0.75 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.82 1yam h ARG 122 CO 0.00 0.00 0.24 -0.56 0.10 0.00 0.00 179.97 179.75 1yam h GLN 123 N 0.00 0.13 0.00 0.08 3.07 -1.98 -2.09 115.11 114.32 1yam h GLN 123 Ca 0.16 -0.01 -0.05 0.00 0.09 0.00 0.00 58.65 58.84 1yam h GLN 123 Cb 0.69 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.21 1yam h GLN 123 CO -0.00 0.08 -0.25 1.88 0.09 0.00 0.00 178.83 180.63 1yam h TYR 124 N 0.13 0.00 -0.02 0.06 0.05 -1.73 -3.16 116.97 112.30 1yam h TYR 124 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1yam h TYR 124 Cb 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.21 1yam h TYR 124 CO -0.00 0.25 0.00 1.33 -1.05 0.00 0.00 178.16 178.69 1yam n VAL 125 N -3.80 0.03 -1.83 -2.88 0.24 -0.83 -4.82 118.33 104.44 1yam n VAL 125 Ca -0.01 -0.52 -0.42 0.00 -2.04 0.00 0.00 64.34 61.35 1yam n VAL 125 Cb 0.35 1.19 -0.03 0.00 -1.47 0.00 0.00 33.84 33.88 1yam n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1yam s GLN 126 N -0.86 4.17 0.00 7.34 -1.52 -0.92 -2.57 119.66 125.29 1yam s GLN 126 Ca 0.12 2.47 0.00 0.00 -1.95 0.00 0.00 55.36 56.00 1yam s GLN 126 Cb 0.09 -3.37 0.00 0.00 -0.22 0.00 0.00 33.01 29.51 1yam s GLN 126 CO 0.13 -0.73 0.00 0.41 -0.25 0.00 0.00 175.29 174.85 1yam n GLY 127 N 3.99 0.50 0.20 3.09 0.00 -1.26 -4.92 105.19 106.79 1yam n GLY 127 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1yam n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yam n GLY 129 N 1.40 0.08 0.09 0.00 0.00 -1.26 -4.83 105.19 100.67 1yam n GLY 129 Ca 0.10 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 45.90 1yam n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65