#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hed s VAL 2 N 0.00 3.99 0.47 3.15 1.01 -1.26 -1.18 120.40 126.58 2hed s VAL 2 Ca 0.00 -1.17 -0.22 0.00 0.00 0.00 0.00 61.98 60.59 2hed s VAL 2 Cb 0.00 -3.30 -0.07 0.00 0.00 0.00 0.00 36.38 33.00 2hed s VAL 2 CO 0.00 -0.27 1.15 -0.36 0.00 0.00 0.00 175.10 175.62 2hed s PHE 3 N 1.42 2.87 0.30 5.22 0.08 -0.22 -5.01 117.98 122.64 2hed s PHE 3 Ca 0.00 1.55 -0.11 0.00 0.12 0.00 0.00 56.93 58.49 2hed s PHE 3 Cb -0.20 -3.33 -0.07 0.00 -0.57 0.00 0.00 43.02 38.84 2hed s PHE 3 CO 0.03 -1.43 0.65 -1.21 -0.10 0.00 0.00 175.22 173.16 2hed s GLU 4 N -2.82 3.83 0.02 0.44 2.02 -1.26 -4.85 118.70 116.07 2hed s GLU 4 Ca 0.65 0.39 -0.03 0.00 0.02 0.00 0.00 54.97 56.00 2hed s GLU 4 Cb -0.27 -2.53 -0.01 0.00 0.10 0.00 0.00 34.13 31.42 2hed s GLU 4 CO 0.32 0.19 1.05 -0.09 0.02 0.00 0.00 175.26 176.75 2hed h ARG 5 N 2.09 -0.01 -0.08 1.61 2.43 -1.96 -1.07 114.38 117.39 2hed h ARG 5 Ca -0.47 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.67 2hed h ARG 5 Cb 1.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2hed h ARG 5 CO 0.67 -0.01 -0.06 0.00 -1.51 0.00 0.00 179.97 179.06 2hed h GLU 7 N 0.12 0.51 -0.47 0.00 4.81 -1.85 -1.41 114.58 116.30 2hed h GLU 7 Ca 0.03 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 2hed h GLU 7 Cb 0.19 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2hed h GLU 7 CO 0.01 0.46 0.09 1.25 -0.73 0.00 0.00 179.01 180.09 2hed h LEU 8 N 0.44 0.72 -0.70 1.64 5.85 -0.48 -2.14 115.31 120.65 2hed h LEU 8 Ca 0.12 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.65 2hed h LEU 8 Cb 0.11 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 2hed h LEU 8 CO -0.02 0.78 0.40 0.00 -0.34 0.00 0.00 178.44 179.27 2hed h ALA 9 N 0.97 0.93 -0.33 1.25 0.00 -0.92 0.27 119.26 121.43 2hed h ALA 9 Ca 0.14 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2hed h ALA 9 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2hed h ALA 9 CO 0.01 0.09 -0.26 0.00 0.00 0.00 0.00 179.25 179.09 2hed h ARG 10 N 0.74 0.67 -0.24 0.00 3.08 -1.14 -1.91 114.38 115.59 2hed h ARG 10 Ca 0.31 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 2hed h ARG 10 Cb 0.17 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2hed h ARG 10 CO -0.18 0.86 0.04 1.15 -1.07 0.00 0.00 179.97 180.78 2hed h THR 11 N 0.58 1.22 -0.85 2.04 2.02 -0.64 -1.58 112.91 115.71 2hed h THR 11 Ca 0.08 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 2hed h THR 11 Cb 0.75 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 2hed h THR 11 CO 0.06 0.23 0.45 -0.07 0.37 0.00 0.00 175.52 176.56 2hed h LEU 12 N 0.20 1.08 -0.45 2.58 3.38 -0.89 -0.88 115.31 120.33 2hed h LEU 12 Ca 0.07 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2hed h LEU 12 Cb 0.31 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2hed h LEU 12 CO 0.00 0.88 0.19 0.50 0.09 0.00 0.00 178.44 180.10 2hed h LYS 13 N 1.20 0.67 -0.39 1.13 3.64 -1.12 -1.64 116.57 120.06 2hed h LYS 13 Ca 0.30 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 2hed h LYS 13 Cb 0.05 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2hed h LYS 13 CO -0.04 0.60 0.12 -0.09 -2.27 0.00 0.00 179.45 177.77 2hed h ARG 14 N 0.59 0.55 -0.02 1.90 2.43 -0.79 -1.39 114.38 117.67 2hed h ARG 14 Ca 0.15 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2hed h ARG 14 Cb 0.17 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2hed h ARG 14 CO -0.01 0.49 0.00 1.28 -1.51 0.00 0.00 179.97 180.21 2hed n LEU 15 N -4.36 0.14 -0.90 3.80 4.77 -0.38 -4.90 117.00 115.18 2hed n LEU 15 Ca 0.02 -0.06 -0.06 0.00 -0.03 0.00 0.00 56.01 55.88 2hed n LEU 15 Cb 0.17 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2hed n LEU 15 CO 0.37 0.03 -0.03 0.61 -1.33 0.00 0.00 177.39 177.04 2hed n GLY 16 N 0.76 0.24 0.11 -0.72 0.00 -0.52 -4.95 105.19 100.10 2hed n GLY 16 Ca 0.11 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.68 2hed n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2hed h MET 17 N -0.23 0.00 -6.14 1.61 2.86 -1.48 -3.41 114.93 108.14 2hed h MET 17 Ca -0.15 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.93 2hed h MET 17 Cb 1.11 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 2hed h MET 17 CO 0.17 0.00 1.34 0.34 1.06 0.00 0.00 176.91 179.82 2hed s ASP 18 N -4.97 5.64 0.00 1.22 2.15 -1.26 -1.93 116.67 117.52 2hed s ASP 18 Ca 0.04 1.22 0.00 0.00 0.43 0.00 0.00 52.55 54.24 2hed s ASP 18 Cb 0.11 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 2hed s ASP 18 CO 0.73 -1.93 0.00 0.61 -0.17 0.00 0.00 175.17 174.41 2hed n GLY 19 N 5.55 0.62 3.67 2.66 0.00 0.48 -4.91 105.19 113.26 2hed n GLY 19 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2hed n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2hed s TYR 20 N -2.27 1.50 -1.38 1.61 5.04 -0.81 -1.24 117.35 119.79 2hed s TYR 20 Ca 0.00 -0.34 -0.07 0.00 -2.44 0.00 0.00 57.07 54.21 2hed s TYR 20 Cb 0.00 -4.23 0.04 0.00 0.35 0.00 0.00 41.96 38.13 2hed s TYR 20 CO 0.00 -5.38 0.52 0.54 -1.34 0.00 0.00 175.55 169.89 2hed n ARG 21 N 7.07 -3.97 -0.90 4.97 5.12 -1.26 -1.40 116.66 126.30 2hed n ARG 21 Ca 0.19 0.65 0.00 0.00 -1.93 0.00 0.00 57.85 56.76 2hed n ARG 21 Cb 0.40 -5.42 0.00 0.00 -1.16 0.00 0.00 32.46 26.29 2hed n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hed n GLY 22 N -1.30 0.54 3.46 -0.13 0.00 -0.38 -4.99 105.19 102.39 2hed n GLY 22 Ca -0.06 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 2hed n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hed s ILE 23 N -2.00 4.80 0.71 -0.61 1.01 -0.49 -4.91 121.20 119.71 2hed s ILE 23 Ca 0.00 -0.42 -0.15 0.00 0.00 0.00 0.00 60.65 60.08 2hed s ILE 23 Cb 0.00 -3.48 0.03 0.00 0.01 0.00 0.00 42.46 39.02 2hed s ILE 23 CO 0.00 0.00 1.17 -0.94 0.00 0.00 0.00 174.94 175.17 2hed s SER 24 N 1.64 4.47 0.25 3.58 1.04 -1.26 -0.39 113.70 123.03 2hed s SER 24 Ca 0.05 2.22 -0.03 0.00 0.48 0.00 0.00 55.95 58.67 2hed s SER 24 Cb -0.17 -2.57 0.41 0.00 0.10 0.00 0.00 66.02 63.78 2hed s SER 24 CO 0.08 -2.07 1.84 0.25 0.98 0.00 0.00 173.24 174.31 2hed h LEU 25 N -0.24 0.84 -1.74 2.42 5.85 -1.91 -1.40 115.31 119.14 2hed h LEU 25 Ca -0.47 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.32 2hed h LEU 25 Cb 1.28 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2hed h LEU 25 CO 0.51 0.51 0.25 0.00 -0.34 0.00 0.00 178.44 179.36 2hed h ALA 26 N 1.46 1.92 -0.25 1.25 0.00 -1.91 0.10 119.26 121.82 2hed h ALA 26 Ca 0.42 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.13 2hed h ALA 26 Cb 0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2hed h ALA 26 CO -0.21 0.03 -0.56 -0.91 0.00 0.00 0.00 179.25 177.59 2hed h ASN 27 N 0.34 0.88 -0.45 0.00 2.35 -1.59 -0.74 115.58 116.36 2hed h ASN 27 Ca 0.15 -0.48 -0.11 0.00 -0.55 0.00 0.00 56.30 55.32 2hed h ASN 27 Cb 0.19 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 2hed h ASN 27 CO -0.03 1.25 -0.12 -0.50 -1.65 0.00 0.00 177.43 176.38 2hed h TRP 28 N 0.60 1.03 -0.31 1.19 4.06 -1.04 -0.70 115.95 120.78 2hed h TRP 28 Ca 0.01 -0.21 -0.03 0.00 2.06 0.00 0.00 58.89 60.72 2hed h TRP 28 Cb 1.15 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 29.04 2hed h TRP 28 CO 0.07 0.99 0.07 0.52 -3.56 0.00 0.00 178.44 176.53 2hed h MET 29 N 0.83 0.51 -0.70 0.49 2.86 -0.89 -1.14 114.93 116.89 2hed h MET 29 Ca 0.13 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2hed h MET 29 Cb 0.66 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 2hed h MET 29 CO 0.05 0.58 0.37 0.00 1.06 0.00 0.00 176.91 178.96 2hed h LEU 31 N 0.97 -0.03 -0.99 0.00 5.85 -0.88 -2.23 115.31 118.00 2hed h LEU 31 Ca 0.25 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 2hed h LEU 31 Cb 0.07 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2hed h LEU 31 CO -0.04 0.02 0.40 0.00 -0.34 0.00 0.00 178.44 178.48 2hed h ALA 32 N 0.91 1.22 -0.22 1.25 0.00 -1.00 0.14 119.26 121.57 2hed h ALA 32 Ca -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2hed h ALA 32 Cb 0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2hed h ALA 32 CO 0.00 0.61 0.13 -0.22 0.00 0.00 0.00 179.25 179.77 2hed h LYS 33 N 1.11 0.29 0.00 0.00 3.11 -0.95 -1.06 116.57 119.08 2hed h LYS 33 Ca 0.27 -0.03 -0.11 0.00 -2.81 0.00 0.00 60.65 57.98 2hed h LYS 33 Cb 0.07 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.23 2hed h LYS 33 CO -0.04 0.24 -0.51 -1.49 -2.81 0.00 0.00 179.45 174.84 2hed h TRP 34 N 0.26 0.00 0.01 1.91 4.06 -1.23 -0.55 115.95 120.41 2hed h TRP 34 Ca 0.08 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.03 2hed h TRP 34 Cb 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.18 2hed h TRP 34 CO -0.05 0.51 -0.00 0.93 -3.56 0.00 0.00 178.44 176.27 2hed h GLU 35 N 0.00 -0.01 0.00 0.49 4.39 -0.82 -3.42 114.58 115.21 2hed h GLU 35 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2hed h GLU 35 Cb 1.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 2hed h GLU 35 CO 0.07 0.84 0.00 -1.13 -1.16 0.00 0.00 179.01 177.62 2hed n SER 36 N -4.68 0.31 -1.40 1.42 3.41 -0.46 -4.90 113.62 107.32 2hed n SER 36 Ca -0.09 -0.69 -0.12 0.00 -0.26 0.00 0.00 58.87 57.71 2hed n SER 36 Cb 0.41 0.23 -0.00 0.00 -0.26 0.00 0.00 64.21 64.59 2hed n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hed n GLY 37 N 0.23 -0.11 2.29 5.00 0.00 -0.21 -2.54 105.19 109.84 2hed n GLY 37 Ca 0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 2hed n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hed n TYR 38 N -4.01 -0.59 -3.69 1.61 0.53 -1.17 -4.78 117.16 105.06 2hed n TYR 38 Ca -0.13 0.00 -0.38 0.00 -1.02 0.00 0.00 57.90 56.37 2hed n TYR 38 Cb 0.60 -2.95 -0.12 0.00 -1.03 0.00 0.00 39.34 35.84 2hed n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 2hed s ASN 39 N -2.42 5.43 0.49 7.72 2.47 -1.05 -1.06 114.94 126.51 2hed s ASN 39 Ca 0.00 -0.42 0.28 0.00 0.42 0.00 0.00 52.86 53.14 2hed s ASN 39 Cb 0.00 -1.98 1.00 0.00 -1.45 0.00 0.00 41.25 38.82 2hed s ASN 39 CO 0.00 -0.14 1.85 0.71 -3.72 0.00 0.00 177.10 175.80 2hed h THR 40 N 5.63 0.22 -0.25 -5.21 1.35 -1.48 -3.04 112.91 110.13 2hed h THR 40 Ca -0.34 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 2hed h THR 40 Cb 1.15 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 2hed h THR 40 CO 0.60 0.10 0.00 -2.11 -0.25 0.00 0.00 175.52 173.85 2hed n ARG 41 N -3.20 2.18 -1.69 4.72 -4.01 -1.26 -4.11 116.66 109.29 2hed n ARG 41 Ca 0.01 -1.77 -0.44 0.00 -1.04 0.00 0.00 57.85 54.62 2hed n ARG 41 Cb 0.40 -1.46 -0.03 0.00 -3.04 0.00 0.00 32.46 28.32 2hed n ARG 41 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2hed n ALA 42 N 1.01 1.94 -2.70 2.89 0.00 -1.15 -4.78 120.51 117.72 2hed n ALA 42 Ca 0.18 0.34 -0.18 0.00 0.00 0.00 0.00 53.44 53.78 2hed n ALA 42 Cb 0.50 -2.53 -0.13 0.00 0.00 0.00 0.00 19.45 17.29 2hed n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2hed s THR 43 N 2.41 0.91 -0.10 0.00 -4.23 -1.26 -0.95 115.64 112.41 2hed s THR 43 Ca 0.82 -0.89 -0.03 0.00 -1.18 0.00 0.00 61.69 60.41 2hed s THR 43 Cb -0.55 -0.84 0.05 0.00 1.34 0.00 0.00 72.50 72.51 2hed s THR 43 CO 0.39 -0.04 0.14 0.21 -0.54 0.00 0.00 174.62 174.78 2hed s ASN 44 N -1.04 1.13 0.01 3.99 2.47 -0.42 -4.95 114.94 116.14 2hed s ASN 44 Ca -0.00 0.08 -0.24 0.00 0.42 0.00 0.00 52.86 53.12 2hed s ASN 44 Cb -0.07 0.14 -0.05 0.00 -1.45 0.00 0.00 41.25 39.81 2hed s ASN 44 CO 0.01 -0.27 0.73 -0.47 -3.72 0.00 0.00 177.10 173.37 2hed s TYR 45 N 2.25 3.69 -0.65 0.43 6.14 -1.26 -0.29 117.35 127.66 2hed s TYR 45 Ca 0.04 1.38 -0.06 0.00 0.64 0.00 0.00 57.07 59.07 2hed s TYR 45 Cb -0.13 -2.79 0.17 0.00 0.42 0.00 0.00 41.96 39.63 2hed s TYR 45 CO -0.06 0.24 0.50 -0.80 0.64 0.00 0.00 175.55 176.06 2hed s ASN 46 N 0.14 5.62 0.46 4.32 0.01 0.29 -4.94 114.94 120.84 2hed s ASN 46 Ca 0.37 -2.71 0.18 0.00 -0.71 0.00 0.00 52.86 50.00 2hed s ASN 46 Cb -0.19 -1.95 1.15 0.00 0.41 0.00 0.00 41.25 40.67 2hed s ASN 46 CO 0.21 -0.45 1.96 0.00 -1.51 0.00 0.00 177.10 177.31 2hed h ALA 47 N 7.36 2.20 -0.21 0.60 0.00 -1.95 -0.62 119.26 126.63 2hed h ALA 47 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2hed h ALA 47 Cb 0.99 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2hed h ALA 47 CO 0.73 -0.38 0.13 0.78 0.00 0.00 0.00 179.25 180.52 2hed h GLY 48 N 0.29 0.30 0.00 0.00 0.00 -1.94 -3.27 103.07 98.45 2hed h GLY 48 Ca 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2hed h GLY 48 CO -0.07 0.12 0.00 2.09 0.00 0.00 0.00 176.54 178.67 2hed n ASP 49 N -4.49 0.74 -0.86 0.19 5.68 -1.02 -5.02 116.55 111.78 2hed n ASP 49 Ca 0.00 -1.24 -0.10 0.00 -0.50 0.00 0.00 54.79 52.95 2hed n ASP 49 Cb 0.09 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.03 2hed n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2hed n ARG 50 N -0.12 -0.74 -3.81 0.11 1.74 -0.27 -4.76 116.66 108.80 2hed n ARG 50 Ca 0.00 0.80 -0.21 0.00 -0.77 0.00 0.00 57.85 57.68 2hed n ARG 50 Cb 0.25 -4.76 -0.03 0.00 -1.02 0.00 0.00 32.46 26.89 2hed n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2hed s SER 51 N -2.83 5.52 0.01 0.55 1.04 -1.20 -4.47 113.70 112.32 2hed s SER 51 Ca 0.00 -0.36 0.03 0.00 0.48 0.00 0.00 55.95 56.10 2hed s SER 51 Cb 0.00 -1.15 -0.01 0.00 0.10 0.00 0.00 66.02 64.96 2hed s SER 51 CO 0.00 -0.29 -0.09 -0.89 0.98 0.00 0.00 173.24 172.95 2hed s THR 52 N -2.23 0.68 -0.15 2.02 2.01 -1.26 -0.55 115.64 116.17 2hed s THR 52 Ca 0.40 -0.52 -0.13 0.00 0.31 0.00 0.00 61.69 61.75 2hed s THR 52 Cb -0.07 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 71.79 2hed s THR 52 CO 0.27 0.08 0.28 -1.81 -0.69 0.00 0.00 174.62 172.75 2hed s ASP 53 N -0.49 6.45 -0.05 3.53 1.01 0.60 -0.89 116.67 126.83 2hed s ASP 53 Ca 0.01 0.52 0.06 0.00 0.71 0.00 0.00 52.55 53.85 2hed s ASP 53 Cb -0.05 -2.17 -0.01 0.00 1.01 0.00 0.00 42.92 41.70 2hed s ASP 53 CO -0.00 0.15 -0.22 -0.31 0.21 0.00 0.00 175.17 175.00 2hed s TYR 54 N 0.22 2.11 0.00 4.23 2.02 0.13 -1.30 117.35 124.76 2hed s TYR 54 Ca 0.16 -0.58 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 2hed s TYR 54 Cb -0.13 -1.39 0.00 0.00 -0.40 0.00 0.00 41.96 40.04 2hed s TYR 54 CO 0.04 -0.17 0.00 0.41 -1.57 0.00 0.00 175.55 174.26 2hed n GLY 55 N 2.95 -2.28 0.29 0.71 0.00 -0.12 -1.36 105.19 105.38 2hed n GLY 55 Ca -0.17 -1.58 0.09 0.00 0.00 0.00 0.00 46.02 44.35 2hed n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2hed h ILE 56 N 0.00 0.99 -0.35 -0.61 2.10 -1.71 -0.92 117.51 117.02 2hed h ILE 56 Ca 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.88 2hed h ILE 56 Cb 0.00 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 36.53 2hed h ILE 56 CO 0.00 0.03 0.00 0.49 -1.08 0.00 0.00 178.15 177.59 2hed n PHE 57 N -4.50 0.45 -3.71 2.19 3.01 -1.26 -3.91 117.46 109.73 2hed n PHE 57 Ca 0.01 -0.30 -0.33 0.00 1.01 0.00 0.00 57.45 57.84 2hed n PHE 57 Cb 0.17 -0.01 0.04 0.00 -0.01 0.00 0.00 39.48 39.67 2hed n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2hed n GLN 58 N 1.08 -1.12 -2.37 -1.08 1.13 -0.35 -4.90 117.38 109.76 2hed n GLN 58 Ca 0.15 0.44 -0.42 0.00 -1.94 0.00 0.00 57.00 55.23 2hed n GLN 58 Cb 0.50 -3.97 -0.03 0.00 0.11 0.00 0.00 30.24 26.85 2hed n GLN 58 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2hed s ALA 59 N -3.45 3.44 0.07 -1.58 0.00 -0.46 -4.43 121.76 115.35 2hed s ALA 59 Ca 0.47 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 53.01 2hed s ALA 59 Cb -0.18 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 2hed s ALA 59 CO 0.87 -0.51 1.07 1.21 0.00 0.00 0.00 175.76 178.40 2hed s ASN 60 N 1.14 7.28 0.04 0.00 3.84 -1.26 -0.69 114.94 125.28 2hed s ASN 60 Ca 0.60 1.88 0.12 0.00 0.21 0.00 0.00 52.86 55.67 2hed s ASN 60 Cb -0.31 -2.58 0.51 0.00 -0.55 0.00 0.00 41.25 38.32 2hed s ASN 60 CO 0.29 -0.28 1.37 -1.54 -2.79 0.00 0.00 177.10 174.14 2hed n SER 61 N 3.41 0.08 0.15 -4.21 3.41 -0.07 -1.43 113.62 114.97 2hed n SER 61 Ca 0.06 0.52 0.03 0.00 -0.26 0.00 0.00 58.87 59.22 2hed n SER 61 Cb 0.48 -0.54 0.13 0.00 -0.26 0.00 0.00 64.21 64.02 2hed n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2hed h ARG 62 N 0.00 0.00 0.00 4.33 2.43 -1.83 -3.41 114.38 115.90 2hed h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2hed h ARG 62 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2hed h ARG 62 CO 0.00 0.49 -0.63 0.66 -1.51 0.00 0.00 179.97 178.98 2hed n TYR 63 N -3.34 0.00 -0.09 2.20 4.02 -1.04 -0.31 117.16 118.60 2hed n TYR 63 Ca 0.01 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.72 2hed n TYR 63 Cb 0.67 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.86 2hed n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 2hed n TRP 64 N -1.80 0.39 -4.22 -0.72 7.02 -0.51 -0.56 117.44 117.04 2hed n TRP 64 Ca 0.00 0.09 -0.13 0.00 -1.02 0.00 0.00 57.50 56.44 2hed n TRP 64 Cb 0.32 -1.05 -0.10 0.00 -2.42 0.00 0.00 31.31 28.05 2hed n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2hed s ASN 66 N -3.14 5.56 0.00 0.00 2.47 -0.18 -4.50 114.94 115.16 2hed s ASN 66 Ca 0.20 -0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.47 2hed s ASN 66 Cb 0.06 -1.98 0.00 0.00 -1.45 0.00 0.00 41.25 37.88 2hed s ASN 66 CO 0.01 0.08 0.63 -0.90 -3.72 0.00 0.00 177.10 173.20 2hed n ASP 67 N 4.18 1.26 0.00 -4.21 5.75 -1.26 -1.15 116.55 121.12 2hed n ASP 67 Ca -0.16 -1.26 0.00 0.00 -0.01 0.00 0.00 54.79 53.36 2hed n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2hed n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hed n GLY 68 N -0.13 1.83 0.62 6.12 0.00 -1.26 -4.73 105.19 107.64 2hed n GLY 68 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2hed n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2hed n LYS 69 N -1.71 1.40 -3.32 1.61 2.85 -1.26 -4.94 118.16 112.79 2hed n LYS 69 Ca 0.00 -1.54 -0.39 0.00 -1.05 0.00 0.00 58.31 55.33 2hed n LYS 69 Cb 0.00 -1.29 -0.07 0.00 -0.65 0.00 0.00 35.03 33.02 2hed n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2hed s THR 70 N -1.13 5.15 0.46 0.58 2.01 -1.26 -4.97 115.64 116.49 2hed s THR 70 Ca 0.19 0.81 -0.25 0.00 0.31 0.00 0.00 61.69 62.75 2hed s THR 70 Cb 0.13 -3.78 -0.08 0.00 0.01 0.00 0.00 72.50 68.78 2hed s THR 70 CO 0.18 0.20 1.39 -2.84 -0.69 0.00 0.00 174.62 172.87 2hed s PRO 71 N 1.56 3.63 -1.52 4.92 0.02 -1.26 -3.60 135.00 138.75 2hed s PRO 71 Ca 0.21 2.34 -0.03 0.00 0.02 0.00 0.00 61.00 63.54 2hed s PRO 71 Cb -0.15 -2.59 0.03 0.00 0.02 0.00 0.00 34.50 31.81 2hed s PRO 71 CO 0.09 -0.84 0.08 0.41 -0.33 0.00 0.00 177.00 176.42 2hed n GLY 72 N 0.61 -0.15 3.95 0.52 0.00 -1.26 -4.92 105.19 103.94 2hed n GLY 72 Ca 0.06 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 2hed n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hed s ALA 73 N -4.15 3.94 0.46 4.61 0.00 -1.24 -4.98 121.76 120.40 2hed s ALA 73 Ca 0.12 -1.12 0.05 0.00 0.00 0.00 0.00 51.96 51.00 2hed s ALA 73 Cb -0.07 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 2hed s ALA 73 CO 0.96 0.41 0.08 0.14 0.00 0.00 0.00 175.76 177.34 2hed s VAL 74 N -1.85 1.74 -0.44 0.00 -7.23 0.58 -4.99 120.40 108.22 2hed s VAL 74 Ca 0.34 -1.89 0.08 0.00 -1.81 0.00 0.00 61.98 58.70 2hed s VAL 74 Cb -0.10 -2.64 0.26 0.00 0.56 0.00 0.00 36.38 34.46 2hed s VAL 74 CO 0.29 0.00 0.58 -3.20 -0.31 0.00 0.00 175.10 172.46 2hed n ASN 75 N -1.19 0.96 0.27 4.85 5.15 -1.24 -3.82 115.26 120.23 2hed n ASN 75 Ca -0.09 -2.87 0.11 0.00 -0.60 0.00 0.00 54.58 51.13 2hed n ASN 75 Cb 0.66 -0.64 0.74 0.00 -0.53 0.00 0.00 39.78 40.01 2hed n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2hed h ALA 76 N 3.97 1.81 -0.00 5.20 0.00 -0.86 -0.99 119.26 128.39 2hed h ALA 76 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2hed h ALA 76 Cb 0.84 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2hed h ALA 76 CO 0.54 0.01 -0.24 0.00 0.00 0.00 0.00 179.25 179.56 2hed n HIS 78 N -1.06 -1.91 -3.95 0.00 -0.00 -0.38 -4.95 115.22 102.97 2hed n HIS 78 Ca 0.11 0.77 -0.10 0.00 -0.00 0.00 0.00 57.72 58.50 2hed n HIS 78 Cb 0.32 -4.15 -0.10 0.00 -0.00 0.00 0.00 29.99 26.06 2hed n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2hed s LEU 79 N -6.60 2.03 0.37 2.41 1.43 -1.26 -5.07 118.68 111.98 2hed s LEU 79 Ca 0.10 -0.45 -0.26 0.00 -1.03 0.00 0.00 54.13 52.49 2hed s LEU 79 Cb -0.03 0.31 -0.09 0.00 0.03 0.00 0.00 46.19 46.41 2hed s LEU 79 CO 0.82 -0.36 1.06 -0.55 0.23 0.00 0.00 176.35 177.56 2hed s SER 80 N -1.58 6.89 0.64 2.29 0.15 -1.26 -1.01 113.70 119.81 2hed s SER 80 Ca -0.13 2.11 0.42 0.00 0.70 0.00 0.00 55.95 59.04 2hed s SER 80 Cb -0.08 -2.60 2.13 0.00 -1.71 0.00 0.00 66.02 63.77 2hed s SER 80 CO -0.01 -0.40 2.27 0.00 1.20 0.00 0.00 173.24 176.29 2hed h SER 82 N 0.00 0.62 0.06 0.00 0.87 -1.90 -1.77 113.55 111.42 2hed h SER 82 Ca -0.00 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2hed h SER 82 Cb 0.15 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2hed h SER 82 CO 0.00 0.48 -0.02 0.00 -0.53 0.00 0.00 176.83 176.77 2hed h ALA 83 N 1.62 1.44 -0.25 6.23 0.00 -1.56 -0.55 119.26 126.20 2hed h ALA 83 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2hed h ALA 83 Cb -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2hed h ALA 83 CO -0.03 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.52 2hed n LEU 84 N -3.74 1.56 -0.43 0.00 4.77 -0.67 -3.56 117.00 114.93 2hed n LEU 84 Ca -0.03 -0.74 0.04 0.00 -0.03 0.00 0.00 56.01 55.25 2hed n LEU 84 Cb 0.10 -0.16 0.10 0.00 -2.33 0.00 0.00 43.42 41.13 2hed n LEU 84 CO 0.27 0.37 0.59 0.18 -1.33 0.00 0.00 177.39 177.47 2hed n LEU 85 N 0.31 2.63 -4.85 2.23 4.77 -0.21 -3.47 117.00 118.41 2hed n LEU 85 Ca 0.12 -2.01 -0.31 0.00 -0.03 0.00 0.00 56.01 53.78 2hed n LEU 85 Cb 0.27 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2hed n LEU 85 CO 0.09 0.66 0.71 -1.10 -1.33 0.00 0.00 177.39 176.42 2hed s GLN 86 N -1.02 3.44 0.31 3.23 -0.21 -1.23 -4.57 119.66 119.60 2hed s GLN 86 Ca 0.16 0.84 0.14 0.00 0.02 0.00 0.00 55.36 56.52 2hed s GLN 86 Cb 0.08 -2.06 0.44 0.00 1.00 0.00 0.00 33.01 32.48 2hed s GLN 86 CO 0.10 -0.69 1.64 -0.44 -2.12 0.00 0.00 175.29 173.78 2hed h ASP 87 N -0.28 0.00 -3.24 5.90 3.32 -1.93 -3.40 116.42 116.79 2hed h ASP 87 Ca -0.44 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.02 2hed h ASP 87 Cb 1.20 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.67 2hed h ASP 87 CO 0.60 0.54 0.54 0.21 -1.72 0.00 0.00 179.24 179.40 2hed s ASN 88 N -6.66 6.96 -0.02 6.45 3.84 -1.26 -4.93 114.94 119.32 2hed s ASN 88 Ca -0.00 1.20 0.13 0.00 0.21 0.00 0.00 52.86 54.39 2hed s ASN 88 Cb 0.12 -2.48 0.42 0.00 -0.55 0.00 0.00 41.25 38.76 2hed s ASN 88 CO 0.73 -0.52 1.32 2.30 -2.79 0.00 0.00 177.10 178.15 2hed n ILE 89 N 5.07 0.79 -0.13 -5.21 -5.35 -1.26 -4.46 119.36 108.81 2hed n ILE 89 Ca 0.07 -0.65 -0.04 0.00 -0.27 0.00 0.00 62.75 61.86 2hed n ILE 89 Cb 0.48 0.19 0.04 0.00 -1.74 0.00 0.00 39.64 38.61 2hed n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2hed h ALA 90 N 3.73 0.41 -0.44 -1.28 0.00 -1.95 0.13 119.26 119.86 2hed h ALA 90 Ca 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2hed h ALA 90 Cb 0.74 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2hed h ALA 90 CO 0.05 -0.37 -0.03 -0.44 0.00 0.00 0.00 179.25 178.46 2hed h ASP 91 N 0.13 0.79 -0.23 0.00 3.45 -1.87 -0.61 116.42 118.09 2hed h ASP 91 Ca 0.21 -0.33 -0.01 0.00 0.43 0.00 0.00 57.03 57.33 2hed h ASP 91 Cb 0.29 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 2hed h ASP 91 CO -0.33 0.93 0.11 0.00 -1.57 0.00 0.00 179.24 178.37 2hed h ALA 92 N 0.89 1.68 -0.04 3.45 0.00 -1.66 -0.56 119.26 123.02 2hed h ALA 92 Ca 0.12 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 2hed h ALA 92 Cb 0.54 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2hed h ALA 92 CO 0.03 0.26 -0.65 0.28 0.00 0.00 0.00 179.25 179.17 2hed h VAL 93 N 0.38 1.38 -0.86 0.00 2.07 -0.43 -1.84 116.25 116.95 2hed h VAL 93 Ca 0.10 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.59 2hed h VAL 93 Cb 0.08 2.42 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 2hed h VAL 93 CO -0.01 0.60 0.55 0.00 0.02 0.00 0.00 177.57 178.73 2hed h ALA 94 N 0.39 1.34 -0.32 1.67 0.00 -0.68 -0.32 119.26 121.34 2hed h ALA 94 Ca -0.07 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2hed h ALA 94 Cb 1.33 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2hed h ALA 94 CO 0.13 0.59 -0.27 0.00 0.00 0.00 0.00 179.25 179.70 2hed h ALA 96 N 0.74 1.41 -0.76 0.00 0.00 -0.85 -1.13 119.26 118.66 2hed h ALA 96 Ca 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2hed h ALA 96 Cb 0.84 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2hed h ALA 96 CO 0.07 0.44 0.32 0.87 0.00 0.00 0.00 179.25 180.94 2hed h LYS 97 N 0.64 1.13 -0.47 0.00 1.57 -0.87 -2.62 116.57 115.95 2hed h LYS 97 Ca 0.15 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2hed h LYS 97 Cb 0.19 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2hed h LYS 97 CO -0.01 0.91 0.28 -0.09 -0.57 0.00 0.00 179.45 179.98 2hed h ARG 98 N 1.09 0.65 -0.42 3.15 9.65 -0.55 -2.86 114.38 125.09 2hed h ARG 98 Ca 0.26 -0.06 0.05 0.00 -1.10 0.00 0.00 59.98 59.13 2hed h ARG 98 Cb 0.20 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.60 2hed h ARG 98 CO -0.02 0.48 0.14 0.28 2.80 0.00 0.00 179.97 183.65 2hed h VAL 99 N 0.63 0.86 0.00 0.20 2.07 -0.89 -2.16 116.25 116.96 2hed h VAL 99 Ca 0.17 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.59 2hed h VAL 99 Cb 0.00 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2hed h VAL 99 CO -0.03 0.06 0.00 1.33 0.02 0.00 0.00 177.57 178.94 2hed n VAL 100 N -5.02 0.02 0.91 2.57 0.24 -1.04 -2.43 118.33 113.58 2hed n VAL 100 Ca 0.03 0.00 0.14 0.00 -2.04 0.00 0.00 64.34 62.47 2hed n VAL 100 Cb 0.16 -0.56 0.53 0.00 -1.47 0.00 0.00 33.84 32.50 2hed n VAL 100 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2hed n ARG 101 N -1.04 0.06 -2.38 7.34 0.63 -0.81 -4.33 116.66 116.13 2hed n ARG 101 Ca 0.20 0.05 -0.30 0.00 -0.92 0.00 0.00 57.85 56.88 2hed n ARG 101 Cb 0.11 -1.57 -0.01 0.00 0.45 0.00 0.00 32.46 31.45 2hed n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2hed s ASP 102 N -3.36 6.33 0.32 6.15 -0.00 -1.02 -4.99 116.67 120.11 2hed s ASP 102 Ca 0.13 1.20 0.10 0.00 -0.00 0.00 0.00 52.55 53.98 2hed s ASP 102 Cb 0.17 -2.36 0.92 0.00 -0.00 0.00 0.00 42.92 41.65 2hed s ASP 102 CO 0.57 -0.65 1.71 1.55 -0.00 0.00 0.00 175.17 178.34 2hed h PRO 103 N 0.27 0.49 -0.08 8.23 0.13 -1.88 -1.92 132.00 137.24 2hed h PRO 103 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2hed h PRO 103 Cb 1.19 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2hed h PRO 103 CO 0.62 0.32 0.05 1.96 -0.23 0.00 0.00 178.00 180.73 2hed h GLN 104 N 0.50 0.11 0.00 0.86 4.20 -1.91 -3.48 115.11 115.40 2hed h GLN 104 Ca 0.66 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.36 2hed h GLN 104 Cb 1.32 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.08 2hed h GLN 104 CO -0.51 0.08 0.00 0.41 -0.67 0.00 0.00 178.83 178.13 2hed n GLY 105 N -1.52 2.50 0.33 3.46 0.00 -0.72 -2.05 105.19 107.17 2hed n GLY 105 Ca -0.02 -0.46 0.22 0.00 0.00 0.00 0.00 46.02 45.76 2hed n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2hed h ILE 106 N 0.00 0.02 0.00 -0.61 6.09 -1.91 -1.72 117.51 119.38 2hed h ILE 106 Ca 0.00 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.39 2hed h ILE 106 Cb 0.00 1.09 0.00 0.00 0.47 0.00 0.00 36.82 38.38 2hed h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 2hed n ARG 107 N -3.11 0.18 0.13 2.19 1.74 -0.87 -2.89 116.66 114.04 2hed n ARG 107 Ca -0.02 0.45 0.19 0.00 -0.77 0.00 0.00 57.85 57.69 2hed n ARG 107 Cb 0.11 -1.87 0.77 0.00 -1.02 0.00 0.00 32.46 30.45 2hed n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2hed h ALA 108 N 2.24 2.01 -2.55 7.54 0.00 -1.44 -3.36 119.26 123.70 2hed h ALA 108 Ca 0.00 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 54.20 2hed h ALA 108 Cb 0.32 0.02 -0.20 0.00 0.00 0.00 0.00 17.79 17.93 2hed h ALA 108 CO 0.00 -0.52 -0.41 -1.58 0.00 0.00 0.00 179.25 176.74 2hed s TRP 109 N -4.63 3.23 0.44 0.00 0.51 -1.14 -4.96 118.94 112.38 2hed s TRP 109 Ca -0.04 -0.44 0.12 0.00 -2.12 0.00 0.00 56.10 53.62 2hed s TRP 109 Cb 0.15 -2.60 1.02 0.00 -0.81 0.00 0.00 33.47 31.23 2hed s TRP 109 CO 0.55 -0.54 2.03 0.28 -0.51 0.00 0.00 176.95 178.76 2hed h VAL 110 N 5.60 0.97 -0.28 4.03 2.07 -1.89 -0.32 116.25 126.43 2hed h VAL 110 Ca -0.28 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2hed h VAL 110 Cb 1.13 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2hed h VAL 110 CO 0.71 0.07 0.18 0.00 0.02 0.00 0.00 177.57 178.56 2hed h ALA 111 N 1.75 1.81 -0.43 1.67 0.00 -1.93 -1.74 119.26 120.40 2hed h ALA 111 Ca 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2hed h ALA 111 Cb 0.31 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2hed h ALA 111 CO -0.05 0.17 0.10 2.35 0.00 0.00 0.00 179.25 181.83 2hed h TRP 112 N 0.37 0.72 -0.63 0.00 7.01 -1.36 0.01 115.95 122.06 2hed h TRP 112 Ca 0.10 -0.09 0.01 0.00 2.11 0.00 0.00 58.89 61.03 2hed h TRP 112 Cb -0.03 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 26.79 2hed h TRP 112 CO -0.00 0.67 0.41 0.00 -2.79 0.00 0.00 178.44 176.74 2hed h ARG 113 N 0.55 0.81 -0.12 2.65 3.08 -1.34 0.21 114.38 120.22 2hed h ARG 113 Ca 0.13 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 2hed h ARG 113 Cb 0.32 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 2hed h ARG 113 CO 0.00 0.54 -0.18 -0.91 -1.07 0.00 0.00 179.97 178.35 2hed h ASN 114 N 0.84 0.38 0.00 7.04 2.35 -1.18 -3.35 115.58 121.65 2hed h ASN 114 Ca 0.24 -0.53 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 2hed h ASN 114 Cb -0.07 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.19 2hed h ASN 114 CO -0.06 0.83 -1.14 0.54 -1.65 0.00 0.00 177.43 175.95 2hed n ARG 115 N -4.53 1.12 0.00 0.81 5.12 -0.03 -4.82 116.66 114.33 2hed n ARG 115 Ca -0.07 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 2hed n ARG 115 Cb 0.40 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 2hed n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2hed n GLN 117 N -2.59 1.49 -1.80 0.00 7.27 -0.38 -1.92 117.38 119.45 2hed n GLN 117 Ca 0.00 0.53 -0.20 0.00 0.07 0.00 0.00 57.00 57.40 2hed n GLN 117 Cb 0.48 -2.12 -0.07 0.00 2.41 0.00 0.00 30.24 30.94 2hed n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2hed n ASN 118 N 2.27 -5.41 -4.67 1.69 5.03 -1.26 -4.97 115.26 107.93 2hed n ASN 118 Ca 0.15 0.37 -0.25 0.00 0.87 0.00 0.00 54.58 55.72 2hed n ASN 118 Cb 0.26 -4.72 -0.08 0.00 -1.02 0.00 0.00 39.78 34.22 2hed n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2hed s ARG 119 N -4.05 2.14 -0.74 3.52 0.52 -0.81 -5.06 118.95 114.47 2hed s ARG 119 Ca 0.00 -1.79 -0.24 0.00 -0.52 0.00 0.00 55.73 53.18 2hed s ARG 119 Cb 0.00 -1.94 0.06 0.00 0.52 0.00 0.00 34.95 33.59 2hed s ARG 119 CO 0.00 0.04 1.13 0.34 0.02 0.00 0.00 175.30 176.83 2hed s ASP 120 N -3.78 6.23 0.00 0.23 2.15 -1.26 -4.85 116.67 115.38 2hed s ASP 120 Ca 0.37 -0.91 0.19 0.00 0.43 0.00 0.00 52.55 52.63 2hed s ASP 120 Cb 0.02 -2.48 0.54 0.00 -0.30 0.00 0.00 42.92 40.69 2hed s ASP 120 CO 0.20 -1.57 1.43 1.33 -0.17 0.00 0.00 175.17 176.40 2hed n VAL 121 N 6.14 0.48 -0.35 1.11 0.24 -1.26 -4.44 118.33 120.25 2hed n VAL 121 Ca 0.04 -0.58 0.12 0.00 -2.04 0.00 0.00 64.34 61.87 2hed n VAL 121 Cb 0.47 0.50 0.31 0.00 -1.47 0.00 0.00 33.84 33.65 2hed n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2hed h ARG 122 N 3.06 0.78 -0.88 7.34 3.08 -1.93 -1.88 114.38 123.94 2hed h ARG 122 Ca 0.00 -0.05 0.26 0.00 0.07 0.00 0.00 59.98 60.26 2hed h ARG 122 Cb 0.68 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.52 2hed h ARG 122 CO 0.00 0.52 0.74 -0.56 -1.07 0.00 0.00 179.97 179.60 2hed h GLN 123 N 0.80 0.00 0.00 0.04 3.07 -1.97 -1.56 115.11 115.49 2hed h GLN 123 Ca 0.56 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 59.22 2hed h GLN 123 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.37 2hed h GLN 123 CO -0.35 0.00 -0.37 1.88 0.09 0.00 0.00 178.83 180.09 2hed h TYR 124 N 0.00 0.00 -0.00 0.06 0.05 -1.68 -3.30 116.97 112.10 2hed h TYR 124 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.20 2hed h TYR 124 Cb 1.90 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.64 2hed h TYR 124 CO 0.00 0.37 0.00 1.33 -1.05 0.00 0.00 178.16 178.81 2hed n VAL 125 N -3.60 0.01 -1.82 -2.88 0.24 -0.64 -4.81 118.33 104.83 2hed n VAL 125 Ca -0.01 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.37 2hed n VAL 125 Cb 0.49 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.88 2hed n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2hed s GLN 126 N -0.23 4.16 0.00 7.34 1.11 -0.88 -2.14 119.66 129.02 2hed s GLN 126 Ca 0.03 2.49 0.00 0.00 0.01 0.00 0.00 55.36 57.89 2hed s GLN 126 Cb 0.02 -3.33 0.00 0.00 -1.01 0.00 0.00 33.01 28.69 2hed s GLN 126 CO 0.03 -0.73 0.00 0.41 0.01 0.00 0.00 175.29 175.01 2hed n GLY 127 N 3.99 0.99 0.08 3.09 0.00 -1.26 -4.90 105.19 107.18 2hed n GLY 127 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 2hed n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hed n GLY 129 N 1.38 0.07 0.26 0.00 0.00 -1.26 -4.84 105.19 100.79 2hed n GLY 129 Ca 0.11 -0.55 0.03 0.00 0.00 0.00 0.00 46.02 45.61 2hed n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65