#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mec s VAL 2 N 0.00 3.89 0.67 3.15 1.01 -1.26 -1.10 120.40 126.76 2mec s VAL 2 Ca 0.00 -1.52 -0.15 0.00 0.00 0.00 0.00 61.98 60.31 2mec s VAL 2 Cb 0.00 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.97 2mec s VAL 2 CO 0.00 -0.49 1.12 -0.36 0.00 0.00 0.00 175.10 175.38 2mec s PHE 3 N 1.35 2.53 0.14 5.22 0.40 -0.24 -4.98 117.98 122.41 2mec s PHE 3 Ca 0.03 1.56 -0.02 0.00 -0.60 0.00 0.00 56.93 57.90 2mec s PHE 3 Cb -0.22 -3.21 -0.05 0.00 0.51 0.00 0.00 43.02 40.05 2mec s PHE 3 CO 0.01 -1.82 0.34 -1.83 0.70 0.00 0.00 175.22 172.61 2mec s GLU 4 N -4.07 3.54 0.02 0.44 4.04 -1.26 -4.84 118.70 116.56 2mec s GLU 4 Ca 0.68 -0.28 -0.04 0.00 0.04 0.00 0.00 54.97 55.37 2mec s GLU 4 Cb -0.22 -2.90 -0.01 0.00 0.02 0.00 0.00 34.13 31.03 2mec s GLU 4 CO 0.42 0.48 0.86 -2.13 -1.84 0.00 0.00 175.26 173.06 2mec n ARG 5 N -0.14 -0.06 0.24 -4.83 0.63 -1.26 -1.22 116.66 110.02 2mec n ARG 5 Ca -0.04 0.86 0.11 0.00 -0.92 0.00 0.00 57.85 57.86 2mec n ARG 5 Cb 0.52 -1.28 0.56 0.00 0.45 0.00 0.00 32.46 32.71 2mec n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2mec h GLU 7 N 0.00 0.92 -0.11 0.00 4.81 -1.60 -2.08 114.58 116.53 2mec h GLU 7 Ca -0.00 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 2mec h GLU 7 Cb 0.59 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 2mec h GLU 7 CO 0.02 0.91 -0.04 1.25 -0.73 0.00 0.00 179.01 180.43 2mec h LEU 8 N 0.80 0.23 -0.26 1.64 5.85 -0.73 -2.70 115.31 120.15 2mec h LEU 8 Ca 0.16 -0.40 0.06 0.00 0.84 0.00 0.00 57.88 58.54 2mec h LEU 8 Cb 0.47 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 2mec h LEU 8 CO 0.02 0.57 -0.20 0.00 -0.34 0.00 0.00 178.44 178.49 2mec h ALA 9 N 0.66 -0.04 -0.92 1.25 0.00 -1.32 0.19 119.26 119.08 2mec h ALA 9 Ca 0.03 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2mec h ALA 9 Cb 0.48 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 2mec h ALA 9 CO 0.01 -0.61 0.61 0.00 0.00 0.00 0.00 179.25 179.26 2mec h ARG 10 N -0.19 1.19 0.19 0.00 3.08 -1.41 -1.13 114.38 116.10 2mec h ARG 10 Ca 0.14 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2mec h ARG 10 Cb 0.41 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2mec h ARG 10 CO -0.37 0.78 -0.09 1.15 -1.07 0.00 0.00 179.97 180.37 2mec h THR 11 N 1.22 0.88 -0.77 2.04 2.02 -0.98 -1.88 112.91 115.44 2mec h THR 11 Ca 0.35 -0.92 0.14 0.00 0.77 0.00 0.00 66.41 66.75 2mec h THR 11 Cb -0.10 1.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 2mec h THR 11 CO -0.08 0.19 0.51 -0.07 0.37 0.00 0.00 175.52 176.44 2mec h LEU 12 N -0.75 0.45 -0.36 2.58 3.38 -0.56 -0.65 115.31 119.40 2mec h LEU 12 Ca -0.03 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2mec h LEU 12 Cb 0.51 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2mec h LEU 12 CO 0.04 0.24 -0.22 0.50 0.09 0.00 0.00 178.44 179.09 2mec h LYS 13 N 0.48 0.78 0.00 1.13 3.64 -1.11 -1.46 116.57 120.03 2mec h LYS 13 Ca 0.38 -0.36 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2mec h LYS 13 Cb 0.78 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2mec h LYS 13 CO -0.13 0.99 -0.01 0.07 -2.27 0.00 0.00 179.45 178.10 2mec h ARG 14 N 0.57 0.00 -0.46 1.90 0.11 -0.35 -2.36 114.38 113.79 2mec h ARG 14 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 2mec h ARG 14 Cb 0.78 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.86 2mec h ARG 14 CO 0.06 0.01 0.00 1.28 0.10 0.00 0.00 179.97 181.42 2mec n LEU 15 N -3.11 2.12 -1.29 0.08 4.77 -0.38 -4.92 117.00 114.28 2mec n LEU 15 Ca 0.01 -1.07 -0.10 0.00 -0.03 0.00 0.00 56.01 54.82 2mec n LEU 15 Cb 0.34 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2mec n LEU 15 CO 0.28 0.44 -0.08 0.61 -1.33 0.00 0.00 177.39 177.31 2mec n GLY 16 N 0.83 0.02 0.12 -0.72 0.00 -0.89 -4.97 105.19 99.58 2mec n GLY 16 Ca 0.11 -0.43 0.06 0.00 0.00 0.00 0.00 46.02 45.76 2mec n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2mec h MET 17 N -0.25 0.00 -6.32 1.61 2.86 -1.45 -3.40 114.93 107.97 2mec h MET 17 Ca -0.24 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.82 2mec h MET 17 Cb 1.17 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.80 2mec h MET 17 CO 0.27 0.18 1.24 0.34 1.06 0.00 0.00 176.91 180.00 2mec s ASP 18 N -5.72 5.97 0.00 1.22 2.15 -1.26 -2.07 116.67 116.97 2mec s ASP 18 Ca -0.01 1.21 0.00 0.00 0.43 0.00 0.00 52.55 54.18 2mec s ASP 18 Cb 0.09 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2mec s ASP 18 CO 0.79 -1.66 0.00 0.61 -0.17 0.00 0.00 175.17 174.74 2mec n GLY 19 N 5.36 0.74 3.62 2.66 0.00 0.21 -4.87 105.19 112.90 2mec n GLY 19 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 2mec n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2mec s TYR 20 N -2.61 1.26 -1.41 1.61 5.04 -0.88 -1.19 117.35 119.17 2mec s TYR 20 Ca 0.00 0.31 -0.07 0.00 -2.44 0.00 0.00 57.07 54.87 2mec s TYR 20 Cb 0.00 -4.02 0.01 0.00 0.35 0.00 0.00 41.96 38.30 2mec s TYR 20 CO 0.00 -4.34 0.88 -2.13 -1.34 0.00 0.00 175.55 168.62 2mec n ARG 21 N 8.41 -6.28 -1.00 4.97 3.00 -1.26 -1.90 116.66 122.60 2mec n ARG 21 Ca 0.27 0.84 0.00 0.00 -0.00 0.00 0.00 57.85 58.96 2mec n ARG 21 Cb 0.44 -5.72 0.00 0.00 0.00 0.00 0.00 32.46 27.18 2mec n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2mec n GLY 22 N -1.74 0.85 3.57 5.14 0.00 -0.34 -5.00 105.19 107.66 2mec n GLY 22 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 2mec n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2mec s ILE 23 N -3.40 5.14 0.74 -0.61 1.01 -0.80 -4.90 121.20 118.38 2mec s ILE 23 Ca 0.00 0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.82 2mec s ILE 23 Cb 0.00 -3.81 0.04 0.00 0.01 0.00 0.00 42.46 38.70 2mec s ILE 23 CO 0.00 -0.04 1.08 -0.94 0.00 0.00 0.00 174.94 175.04 2mec s SER 24 N 1.71 4.87 0.24 3.58 1.04 -1.26 0.64 113.70 124.52 2mec s SER 24 Ca 0.14 1.67 -0.06 0.00 0.48 0.00 0.00 55.95 58.18 2mec s SER 24 Cb -0.16 -2.46 0.30 0.00 0.10 0.00 0.00 66.02 63.80 2mec s SER 24 CO 0.11 -1.78 1.86 0.25 0.98 0.00 0.00 173.24 174.67 2mec h LEU 25 N -0.95 0.85 -1.79 2.42 5.85 -1.89 -0.75 115.31 119.05 2mec h LEU 25 Ca -0.44 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.31 2mec h LEU 25 Cb 1.23 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 2mec h LEU 25 CO 0.55 0.56 0.18 0.00 -0.34 0.00 0.00 178.44 179.39 2mec h ALA 26 N 1.38 1.90 -0.04 1.25 0.00 -1.93 -0.08 119.26 121.75 2mec h ALA 26 Ca 0.36 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.04 2mec h ALA 26 Cb 0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2mec h ALA 26 CO -0.15 0.07 -0.86 -0.91 0.00 0.00 0.00 179.25 177.41 2mec h ASN 27 N 0.28 0.53 -0.39 0.00 2.35 -1.46 -1.08 115.58 115.81 2mec h ASN 27 Ca 0.11 -0.39 -0.14 0.00 -0.55 0.00 0.00 56.30 55.32 2mec h ASN 27 Cb 0.08 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 2mec h ASN 27 CO -0.02 1.17 -0.30 -0.50 -1.65 0.00 0.00 177.43 176.13 2mec h TRP 28 N 0.26 1.08 -0.35 1.19 -0.00 -0.99 -2.38 115.95 114.75 2mec h TRP 28 Ca -0.06 -0.29 -0.01 0.00 -0.00 0.00 0.00 58.89 58.53 2mec h TRP 28 Cb 1.47 -0.24 -0.02 0.00 -0.00 0.00 0.00 29.16 30.37 2mec h TRP 28 CO 0.05 1.10 0.18 0.52 -0.00 0.00 0.00 178.44 180.29 2mec h MET 29 N 0.78 0.49 -0.64 0.49 2.86 -0.96 -2.36 114.93 115.59 2mec h MET 29 Ca 0.08 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2mec h MET 29 Cb 0.87 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 2mec h MET 29 CO 0.08 0.42 0.30 0.00 1.06 0.00 0.00 176.91 178.77 2mec h LEU 31 N 0.91 0.04 -0.79 0.00 5.85 -1.19 -2.69 115.31 117.43 2mec h LEU 31 Ca 0.22 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2mec h LEU 31 Cb 0.11 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2mec h LEU 31 CO -0.03 0.20 0.42 0.00 -0.34 0.00 0.00 178.44 178.69 2mec h ALA 32 N 0.84 1.02 -0.06 1.25 0.00 -1.25 0.45 119.26 121.51 2mec h ALA 32 Ca 0.01 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2mec h ALA 32 Cb 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2mec h ALA 32 CO -0.00 0.54 -0.02 -0.22 0.00 0.00 0.00 179.25 179.55 2mec h LYS 33 N 1.11 -0.01 0.00 0.00 1.63 -1.16 -1.79 116.57 116.35 2mec h LYS 33 Ca 0.28 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.96 2mec h LYS 33 Cb 0.06 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 2mec h LYS 33 CO -0.04 -0.01 -0.58 -1.49 -3.45 0.00 0.00 179.45 173.88 2mec h TRP 34 N -0.01 0.00 0.04 1.91 4.06 -1.36 -1.48 115.95 119.11 2mec h TRP 34 Ca 0.03 0.00 -0.26 0.00 2.06 0.00 0.00 58.89 60.72 2mec h TRP 34 Cb 0.06 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.23 2mec h TRP 34 CO -0.12 0.53 -1.07 0.93 -3.56 0.00 0.00 178.44 175.15 2mec h GLU 35 N 0.00 0.54 0.00 0.49 4.39 -0.82 -3.43 114.58 115.75 2mec h GLU 35 Ca -0.01 -0.63 0.00 0.00 0.34 0.00 0.00 59.36 59.06 2mec h GLU 35 Cb 1.41 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.25 2mec h GLU 35 CO 0.07 1.24 0.00 -1.13 -1.16 0.00 0.00 179.01 178.03 2mec n SER 36 N -3.77 0.00 -0.13 1.42 3.41 -0.72 -4.83 113.62 108.99 2mec n SER 36 Ca -0.10 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.50 2mec n SER 36 Cb 0.90 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.84 2mec n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2mec n GLY 37 N 0.00 0.46 2.09 5.00 0.00 -0.56 -3.21 105.19 108.98 2mec n GLY 37 Ca 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 46.02 45.01 2mec n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2mec n TYR 38 N -3.17 -0.06 -3.65 1.61 4.01 -1.21 -4.82 117.16 109.87 2mec n TYR 38 Ca -0.02 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.34 2mec n TYR 38 Cb 0.15 -1.17 -0.12 0.00 -0.31 0.00 0.00 39.34 37.89 2mec n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2mec s ASN 39 N -2.92 5.58 0.55 7.72 3.84 -1.20 -1.07 114.94 127.44 2mec s ASN 39 Ca 0.00 -0.55 0.36 0.00 0.21 0.00 0.00 52.86 52.88 2mec s ASN 39 Cb 0.00 -2.01 1.64 0.00 -0.55 0.00 0.00 41.25 40.33 2mec s ASN 39 CO 0.00 -0.21 2.06 0.71 -2.79 0.00 0.00 177.10 176.88 2mec h THR 40 N 5.67 0.00 -0.51 -5.21 1.35 -1.44 -2.81 112.91 109.96 2mec h THR 40 Ca -0.32 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2mec h THR 40 Cb 1.14 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 2mec h THR 40 CO 0.62 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.43 2mec n ARG 41 N -2.98 2.64 -2.11 4.72 1.74 -1.26 -3.97 116.66 115.43 2mec n ARG 41 Ca -0.00 -2.01 -0.38 0.00 -0.77 0.00 0.00 57.85 54.68 2mec n ARG 41 Cb 0.22 -1.58 -0.00 0.00 -1.02 0.00 0.00 32.46 30.08 2mec n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2mec s ALA 42 N -1.53 3.08 0.03 7.54 0.00 -1.06 -4.85 121.76 124.97 2mec s ALA 42 Ca 0.37 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 53.31 2mec s ALA 42 Cb 0.21 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.90 2mec s ALA 42 CO 0.21 -0.81 0.28 0.95 0.00 0.00 0.00 175.76 176.39 2mec s THR 43 N -1.38 0.08 -0.22 0.00 -4.23 -1.26 -1.18 115.64 107.45 2mec s THR 43 Ca 0.61 -0.65 -0.08 0.00 -1.18 0.00 0.00 61.69 60.39 2mec s THR 43 Cb -0.34 -0.83 0.10 0.00 1.34 0.00 0.00 72.50 72.77 2mec s THR 43 CO 0.43 -0.36 0.47 0.21 -0.54 0.00 0.00 174.62 174.82 2mec s ASN 44 N -1.84 -0.44 0.02 3.99 2.47 -0.84 -4.96 114.94 113.34 2mec s ASN 44 Ca -0.08 1.11 -0.21 0.00 0.42 0.00 0.00 52.86 54.11 2mec s ASN 44 Cb -0.02 1.53 -0.06 0.00 -1.45 0.00 0.00 41.25 41.25 2mec s ASN 44 CO -0.01 -0.23 0.61 -0.47 -3.72 0.00 0.00 177.10 173.28 2mec s TYR 45 N 2.64 3.72 -0.38 0.43 5.04 -1.26 -0.57 117.35 126.97 2mec s TYR 45 Ca -0.03 1.26 -0.04 0.00 -2.44 0.00 0.00 57.07 55.83 2mec s TYR 45 Cb -0.12 -2.61 0.09 0.00 0.35 0.00 0.00 41.96 39.67 2mec s TYR 45 CO -0.14 0.40 0.16 -0.80 -1.34 0.00 0.00 175.55 173.83 2mec s ASN 46 N -0.40 5.22 0.27 4.32 0.01 0.37 -4.98 114.94 119.75 2mec s ASN 46 Ca 0.32 -1.75 -0.03 0.00 -0.71 0.00 0.00 52.86 50.69 2mec s ASN 46 Cb -0.19 -1.82 0.36 0.00 0.41 0.00 0.00 41.25 40.01 2mec s ASN 46 CO 0.18 -0.47 1.91 0.00 -1.51 0.00 0.00 177.10 177.22 2mec h ALA 47 N 8.09 1.30 -0.45 0.60 0.00 -1.95 -0.23 119.26 126.62 2mec h ALA 47 Ca -0.17 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.72 2mec h ALA 47 Cb 1.06 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 2mec h ALA 47 CO 0.66 0.59 0.06 0.78 0.00 0.00 0.00 179.25 181.33 2mec h GLY 48 N 1.14 0.51 -0.96 0.00 0.00 -1.96 -3.07 103.07 98.73 2mec h GLY 48 Ca 0.29 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2mec h GLY 48 CO -0.05 -0.08 0.00 2.09 0.00 0.00 0.00 176.54 178.50 2mec n ASP 49 N -5.15 2.68 -2.35 0.19 5.75 -1.21 -5.00 116.55 111.46 2mec n ASP 49 Ca 0.04 -1.98 -0.20 0.00 -0.01 0.00 0.00 54.79 52.64 2mec n ASP 49 Cb 0.22 -0.17 -0.01 0.00 -1.03 0.00 0.00 41.12 40.13 2mec n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2mec n ARG 50 N 0.28 -1.75 -3.69 0.11 1.74 -0.12 -4.68 116.66 108.55 2mec n ARG 50 Ca 0.09 0.96 -0.23 0.00 -0.77 0.00 0.00 57.85 57.90 2mec n ARG 50 Cb 0.38 -5.60 -0.02 0.00 -1.02 0.00 0.00 32.46 26.20 2mec n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2mec s SER 51 N -2.09 4.84 0.01 0.55 1.04 -1.08 -4.53 113.70 112.44 2mec s SER 51 Ca 0.00 -0.97 0.01 0.00 0.48 0.00 0.00 55.95 55.47 2mec s SER 51 Cb 0.00 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 2mec s SER 51 CO 0.00 -0.88 -0.03 -0.89 0.98 0.00 0.00 173.24 172.42 2mec s THR 52 N -2.61 0.22 -0.12 2.02 2.01 -1.26 -0.48 115.64 115.42 2mec s THR 52 Ca 0.43 -0.35 -0.12 0.00 0.31 0.00 0.00 61.69 61.97 2mec s THR 52 Cb -0.02 -0.24 -0.05 0.00 0.01 0.00 0.00 72.50 72.20 2mec s THR 52 CO 0.26 -0.08 0.26 -1.81 -0.69 0.00 0.00 174.62 172.56 2mec s ASP 53 N -0.46 6.48 0.02 3.53 1.01 0.27 -0.56 116.67 126.95 2mec s ASP 53 Ca -0.03 0.57 0.07 0.00 0.71 0.00 0.00 52.55 53.87 2mec s ASP 53 Cb -0.03 -2.16 -0.02 0.00 1.01 0.00 0.00 42.92 41.72 2mec s ASP 53 CO -0.00 0.24 -0.22 -0.31 0.21 0.00 0.00 175.17 175.08 2mec s TYR 54 N -0.27 1.97 0.00 4.23 1.51 -0.63 -1.98 117.35 122.19 2mec s TYR 54 Ca 0.17 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 2mec s TYR 54 Cb -0.13 -1.22 0.00 0.00 -0.11 0.00 0.00 41.96 40.50 2mec s TYR 54 CO 0.05 0.04 0.00 0.41 -1.11 0.00 0.00 175.55 174.95 2mec n GLY 55 N 2.14 -2.09 0.28 0.71 0.00 -0.32 -1.47 105.19 104.44 2mec n GLY 55 Ca -0.16 -1.58 -0.00 0.00 0.00 0.00 0.00 46.02 44.28 2mec n GLY 55 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2mec h MET 56 N 0.00 0.59 -0.02 1.61 1.85 -1.72 -2.97 114.93 114.27 2mec h MET 56 Ca 0.00 -0.12 0.00 0.00 -0.61 0.00 0.00 59.70 58.97 2mec h MET 56 Cb 0.00 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 31.94 2mec h MET 56 CO 0.00 0.58 -0.11 1.19 -0.40 0.00 0.00 176.91 178.16 2mec n PHE 57 N -4.29 0.00 -3.49 1.39 3.72 -1.26 -3.85 117.46 109.68 2mec n PHE 57 Ca 0.02 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.21 2mec n PHE 57 Cb 0.23 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.79 2mec n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2mec n GLN 58 N 0.73 -1.46 -2.77 -1.08 1.13 -1.11 -4.93 117.38 107.90 2mec n GLN 58 Ca 0.14 0.79 -0.43 0.00 -1.94 0.00 0.00 57.00 55.56 2mec n GLN 58 Cb 0.51 -4.54 -0.03 0.00 0.11 0.00 0.00 30.24 26.29 2mec n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2mec s ILE 59 N -3.29 4.59 0.31 5.09 1.01 -0.54 -4.45 121.20 123.92 2mec s ILE 59 Ca 0.32 1.40 -0.29 0.00 0.00 0.00 0.00 60.65 62.08 2mec s ILE 59 Cb -0.09 -4.33 -0.11 0.00 0.01 0.00 0.00 42.46 37.94 2mec s ILE 59 CO 0.82 -0.47 1.44 0.21 0.00 0.00 0.00 174.94 176.95 2mec s ASN 60 N 1.75 6.56 0.45 3.58 3.84 -1.26 -1.60 114.94 128.26 2mec s ASN 60 Ca 0.40 2.82 0.29 0.00 0.21 0.00 0.00 52.86 56.58 2mec s ASN 60 Cb -0.12 -2.64 1.03 0.00 -0.55 0.00 0.00 41.25 38.97 2mec s ASN 60 CO 0.16 -0.74 1.84 0.77 -2.79 0.00 0.00 177.10 176.35 2mec h SER 61 N 4.05 0.00 0.19 -4.21 4.64 -1.06 -2.78 113.55 114.36 2mec h SER 61 Ca -0.48 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.71 2mec h SER 61 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2mec h SER 61 CO 0.71 0.00 -0.47 -0.09 -0.87 0.00 0.00 176.83 176.11 2mec h ARG 62 N 0.00 0.34 0.00 4.77 9.65 -1.84 -3.38 114.38 123.92 2mec h ARG 62 Ca 0.00 -0.18 0.00 0.00 -1.10 0.00 0.00 59.98 58.70 2mec h ARG 62 Cb 0.61 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.20 2mec h ARG 62 CO 0.00 0.74 -0.90 0.66 2.80 0.00 0.00 179.97 183.27 2mec n TYR 63 N -3.98 0.00 -0.13 2.20 4.01 -1.24 -0.71 117.16 117.31 2mec n TYR 63 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 2mec n TYR 63 Cb 0.53 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.44 2mec n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2mec n TRP 64 N -1.82 0.00 -4.22 -0.72 7.02 -1.05 -1.43 117.44 115.22 2mec n TRP 64 Ca 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.35 2mec n TRP 64 Cb 0.43 -0.99 -0.10 0.00 -2.42 0.00 0.00 31.31 28.22 2mec n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2mec s ASN 66 N -3.12 5.73 0.00 0.00 2.47 -0.30 -4.46 114.94 115.26 2mec s ASN 66 Ca 0.16 -0.04 0.07 0.00 0.42 0.00 0.00 52.86 53.48 2mec s ASN 66 Cb 0.04 -2.04 0.04 0.00 -1.45 0.00 0.00 41.25 37.84 2mec s ASN 66 CO -0.01 -0.00 0.66 -0.90 -3.72 0.00 0.00 177.10 173.13 2mec n ASP 67 N 4.73 1.40 0.00 -4.21 5.75 -1.26 -0.34 116.55 122.62 2mec n ASP 67 Ca -0.15 -1.20 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 2mec n ASP 67 Cb 0.52 0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 2mec n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2mec n GLY 68 N 0.52 1.64 0.33 6.12 0.00 -1.26 -4.82 105.19 107.72 2mec n GLY 68 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 2mec n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2mec n LYS 69 N -2.00 0.70 -4.36 1.61 2.85 -1.26 -5.02 118.16 110.67 2mec n LYS 69 Ca 0.00 -1.92 -0.34 0.00 -1.05 0.00 0.00 58.31 55.01 2mec n LYS 69 Cb 0.00 -1.02 -0.13 0.00 -0.65 0.00 0.00 35.03 33.23 2mec n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2mec s THR 70 N -1.56 3.63 0.19 0.58 2.01 -1.26 -4.95 115.64 114.28 2mec s THR 70 Ca 0.19 -0.44 -0.30 0.00 0.31 0.00 0.00 61.69 61.44 2mec s THR 70 Cb 0.17 -2.59 -0.09 0.00 0.01 0.00 0.00 72.50 70.00 2mec s THR 70 CO 0.01 0.48 1.35 -2.84 -0.69 0.00 0.00 174.62 172.93 2mec s PRO 71 N 0.62 4.35 -1.44 4.92 0.02 -1.26 -3.41 135.00 138.80 2mec s PRO 71 Ca -0.03 2.10 -0.01 0.00 0.02 0.00 0.00 61.00 63.08 2mec s PRO 71 Cb -0.15 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.18 2mec s PRO 71 CO 0.03 -0.33 0.16 0.41 -0.33 0.00 0.00 177.00 176.94 2mec n GLY 72 N 2.63 -0.35 3.79 0.52 0.00 -1.26 -4.97 105.19 105.55 2mec n GLY 72 Ca 0.08 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2mec n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mec s ALA 73 N -2.94 3.06 0.35 4.61 0.00 -1.22 -4.91 121.76 120.71 2mec s ALA 73 Ca 0.08 0.65 0.09 0.00 0.00 0.00 0.00 51.96 52.79 2mec s ALA 73 Cb -0.04 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.77 2mec s ALA 73 CO 0.10 -0.17 -0.05 0.08 0.00 0.00 0.00 175.76 175.72 2mec s VAL 74 N -1.74 2.31 -0.42 0.00 1.01 0.11 -5.00 120.40 116.67 2mec s VAL 74 Ca 0.59 -2.11 0.10 0.00 0.00 0.00 0.00 61.98 60.56 2mec s VAL 74 Cb -0.20 -2.74 0.33 0.00 0.00 0.00 0.00 36.38 33.77 2mec s VAL 74 CO 0.25 -0.17 0.73 -3.20 0.00 0.00 0.00 175.10 172.71 2mec n ASN 75 N -0.87 1.47 -0.13 3.32 5.15 -1.24 -4.04 115.26 118.93 2mec n ASN 75 Ca -0.05 -3.09 0.15 0.00 -0.60 0.00 0.00 54.58 50.99 2mec n ASN 75 Cb 0.64 -0.62 0.51 0.00 -0.53 0.00 0.00 39.78 39.79 2mec n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2mec h ALA 76 N 3.23 2.11 0.00 5.20 0.00 -1.30 0.54 119.26 129.03 2mec h ALA 76 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2mec h ALA 76 Cb 0.86 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2mec h ALA 76 CO 0.56 -0.28 -0.12 0.00 0.00 0.00 0.00 179.25 179.41 2mec n HIS 78 N -2.22 -2.25 -3.52 0.00 -0.00 0.19 -4.99 115.22 102.44 2mec n HIS 78 Ca 0.05 0.86 -0.11 0.00 -0.00 0.00 0.00 57.72 58.51 2mec n HIS 78 Cb 0.43 -4.47 -0.03 0.00 -0.00 0.00 0.00 29.99 25.92 2mec n HIS 78 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.34 175.86 2mec s LEU 79 N -6.01 -0.12 0.06 2.41 0.05 -1.26 -5.07 118.68 108.74 2mec s LEU 79 Ca 0.23 -0.14 -0.30 0.00 0.05 0.00 0.00 54.13 53.96 2mec s LEU 79 Cb -0.04 2.25 -0.05 0.00 -2.05 0.00 0.00 46.19 46.30 2mec s LEU 79 CO 0.76 -0.91 1.15 -0.55 -0.55 0.00 0.00 176.35 176.24 2mec s SER 80 N -2.77 7.15 0.60 1.48 0.15 -1.26 -1.15 113.70 117.90 2mec s SER 80 Ca 0.02 1.96 0.29 0.00 0.70 0.00 0.00 55.95 58.92 2mec s SER 80 Cb 0.00 -2.58 1.58 0.00 -1.71 0.00 0.00 66.02 63.31 2mec s SER 80 CO -0.12 -0.41 1.98 0.00 1.20 0.00 0.00 173.24 175.89 2mec h SER 82 N 0.00 0.97 0.33 0.00 0.87 -1.91 -0.78 113.55 113.04 2mec h SER 82 Ca 0.13 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2mec h SER 82 Cb 0.84 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2mec h SER 82 CO -0.00 0.60 0.00 0.00 -0.53 0.00 0.00 176.83 176.90 2mec h ALA 83 N 1.46 1.00 -0.42 6.23 0.00 -1.20 -2.25 119.26 124.08 2mec h ALA 83 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2mec h ALA 83 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2mec h ALA 83 CO -0.19 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.34 2mec n LEU 84 N -2.55 2.29 -0.16 0.00 4.77 -0.30 -3.55 117.00 117.51 2mec n LEU 84 Ca -0.01 -1.13 0.06 0.00 -0.03 0.00 0.00 56.01 54.90 2mec n LEU 84 Cb 0.13 -0.28 0.10 0.00 -2.33 0.00 0.00 43.42 41.04 2mec n LEU 84 CO 0.17 0.57 0.56 0.18 -1.33 0.00 0.00 177.39 177.54 2mec n LEU 85 N 0.75 2.39 -4.91 2.23 4.77 -0.85 -3.39 117.00 118.00 2mec n LEU 85 Ca 0.15 -2.58 -0.27 0.00 -0.03 0.00 0.00 56.01 53.28 2mec n LEU 85 Cb 0.37 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 2mec n LEU 85 CO 0.10 0.63 0.32 -1.10 -1.33 0.00 0.00 177.39 176.01 2mec s GLN 86 N -2.00 3.57 0.31 3.23 -1.52 -1.23 -4.46 119.66 117.56 2mec s GLN 86 Ca 0.20 0.05 0.05 0.00 -1.95 0.00 0.00 55.36 53.71 2mec s GLN 86 Cb 0.16 -2.51 0.52 0.00 -0.22 0.00 0.00 33.01 30.97 2mec s GLN 86 CO 0.03 -0.01 1.78 -0.44 -0.25 0.00 0.00 175.29 176.41 2mec h ASP 87 N 0.79 0.39 -3.60 5.90 3.32 -1.94 -3.39 116.42 117.89 2mec h ASP 87 Ca -0.48 -0.12 -0.62 0.00 0.02 0.00 0.00 57.03 55.83 2mec h ASP 87 Cb 1.20 -0.11 -0.12 0.00 0.22 0.00 0.00 39.33 40.53 2mec h ASP 87 CO 0.63 0.62 0.38 0.21 -1.72 0.00 0.00 179.24 179.35 2mec s ASN 88 N -6.82 6.46 0.00 6.45 3.84 -1.26 -4.93 114.94 118.68 2mec s ASN 88 Ca -0.06 0.06 0.13 0.00 0.21 0.00 0.00 52.86 53.19 2mec s ASN 88 Cb 0.14 -2.39 0.59 0.00 -0.55 0.00 0.00 41.25 39.04 2mec s ASN 88 CO 0.77 -0.87 1.40 2.30 -2.79 0.00 0.00 177.10 177.92 2mec n ILE 89 N 6.05 0.13 -0.33 -5.21 -5.35 -1.26 -4.33 119.36 109.05 2mec n ILE 89 Ca 0.03 -0.16 0.15 0.00 -0.27 0.00 0.00 62.75 62.50 2mec n ILE 89 Cb 0.48 0.02 0.37 0.00 -1.74 0.00 0.00 39.64 38.77 2mec n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2mec h ALA 90 N 3.53 1.80 -0.13 -1.28 0.00 -1.95 -0.63 119.26 120.61 2mec h ALA 90 Ca 0.00 0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 2mec h ALA 90 Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2mec h ALA 90 CO 0.00 -0.17 -0.74 -0.44 0.00 0.00 0.00 179.25 177.89 2mec h ASP 91 N 0.67 0.76 -0.74 0.00 3.32 -1.88 -2.78 116.42 115.77 2mec h ASP 91 Ca 0.57 -0.49 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 2mec h ASP 91 Cb 1.01 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 2mec h ASP 91 CO -0.35 1.26 0.26 0.00 -1.72 0.00 0.00 179.24 178.69 2mec h ALA 92 N 0.72 0.96 -0.02 3.45 0.00 -1.44 -2.07 119.26 120.86 2mec h ALA 92 Ca -0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2mec h ALA 92 Cb 1.35 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2mec h ALA 92 CO 0.14 0.62 0.01 0.28 0.00 0.00 0.00 179.25 180.30 2mec h VAL 93 N 1.08 1.16 -0.98 0.00 2.07 -1.28 0.45 116.25 118.74 2mec h VAL 93 Ca 0.24 -0.47 0.07 0.00 0.82 0.00 0.00 66.70 67.36 2mec h VAL 93 Cb 0.26 1.44 -0.07 0.00 -1.52 0.00 0.00 31.29 31.40 2mec h VAL 93 CO -0.01 0.13 0.63 0.00 0.02 0.00 0.00 177.57 178.33 2mec h ALA 94 N 0.82 1.38 0.00 1.67 0.00 -1.42 0.50 119.26 122.20 2mec h ALA 94 Ca 0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2mec h ALA 94 Cb 0.20 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2mec h ALA 94 CO -0.00 0.40 -0.56 0.00 0.00 0.00 0.00 179.25 179.09 2mec h ALA 96 N 1.44 0.64 -0.42 0.00 0.00 0.59 -2.37 119.26 119.15 2mec h ALA 96 Ca -0.01 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 2mec h ALA 96 Cb 1.17 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2mec h ALA 96 CO 0.07 0.75 -0.00 0.87 0.00 0.00 0.00 179.25 180.94 2mec h LYS 97 N 0.28 0.67 -0.31 0.00 1.57 -0.84 -2.43 116.57 115.51 2mec h LYS 97 Ca -0.02 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 58.45 2mec h LYS 97 Cb 1.26 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 2mec h LYS 97 CO 0.12 0.69 -0.38 -0.09 -0.57 0.00 0.00 179.45 179.22 2mec h ARG 98 N 0.63 0.80 -0.30 3.15 9.65 -1.41 -2.91 114.38 123.99 2mec h ARG 98 Ca 0.13 -0.45 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 2mec h ARG 98 Cb 0.40 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.00 2mec h ARG 98 CO 0.02 1.08 0.20 0.28 2.80 0.00 0.00 179.97 184.34 2mec h VAL 99 N 0.57 1.07 0.00 0.20 2.07 -1.15 -2.18 116.25 116.83 2mec h VAL 99 Ca 0.04 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2mec h VAL 99 Cb 0.97 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2mec h VAL 99 CO 0.09 0.07 0.00 1.33 0.02 0.00 0.00 177.57 179.08 2mec n VAL 100 N -4.88 0.06 0.32 2.57 0.24 -0.94 -2.58 118.33 113.13 2mec n VAL 100 Ca -0.01 0.02 0.12 0.00 -2.04 0.00 0.00 64.34 62.43 2mec n VAL 100 Cb 0.03 -0.65 0.19 0.00 -1.47 0.00 0.00 33.84 31.94 2mec n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2mec h ARG 101 N 0.00 0.00 -7.25 7.34 3.08 -1.18 -3.38 114.38 112.98 2mec h ARG 101 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 2mec h ARG 101 Cb 0.04 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.19 2mec h ARG 101 CO 0.00 0.00 0.36 -0.51 -1.07 0.00 0.00 179.97 178.75 2mec s ASP 102 N -5.53 5.29 0.52 7.04 1.11 -1.06 -4.93 116.67 119.11 2mec s ASP 102 Ca 0.06 1.81 0.33 0.00 0.18 0.00 0.00 52.55 54.94 2mec s ASP 102 Cb 0.08 -2.53 1.48 0.00 1.07 0.00 0.00 42.92 43.02 2mec s ASP 102 CO 0.68 -1.50 1.81 1.55 1.18 0.00 0.00 175.17 178.89 2mec h PRO 103 N -0.22 0.06 0.00 8.23 0.13 -1.89 -1.80 132.00 136.51 2mec h PRO 103 Ca -0.45 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 2mec h PRO 103 Cb 1.23 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2mec h PRO 103 CO 0.55 0.04 -0.22 0.37 -0.23 0.00 0.00 178.00 178.52 2mec h GLN 104 N 0.06 0.00 0.00 0.86 4.15 -1.91 -3.49 115.11 114.78 2mec h GLN 104 Ca 0.56 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.98 2mec h GLN 104 Cb 2.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.79 2mec h GLN 104 CO -0.05 0.22 0.00 0.41 -1.93 0.00 0.00 178.83 177.47 2mec n GLY 105 N 0.14 0.79 0.10 2.39 0.00 -0.68 -2.91 105.19 105.01 2mec n GLY 105 Ca 0.00 -0.77 0.10 0.00 0.00 0.00 0.00 46.02 45.35 2mec n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2mec n ILE 106 N 0.00 1.02 0.53 -0.61 3.06 -1.26 -2.14 119.36 119.95 2mec n ILE 106 Ca 0.00 0.36 0.06 0.00 -2.50 0.00 0.00 62.75 60.67 2mec n ILE 106 Cb 0.00 -1.27 0.29 0.00 0.54 0.00 0.00 39.64 39.20 2mec n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2mec n ARG 107 N -2.02 0.12 -0.11 9.51 1.74 -1.15 -2.30 116.66 122.45 2mec n ARG 107 Ca 0.02 0.21 0.06 0.00 -0.77 0.00 0.00 57.85 57.37 2mec n ARG 107 Cb 0.16 -1.50 0.39 0.00 -1.02 0.00 0.00 32.46 30.49 2mec n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2mec h ALA 108 N 2.53 1.74 -2.30 7.54 0.00 -1.61 -3.39 119.26 123.77 2mec h ALA 108 Ca 0.00 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.27 2mec h ALA 108 Cb 0.14 -0.17 -0.11 0.00 0.00 0.00 0.00 17.79 17.64 2mec h ALA 108 CO 0.00 0.17 0.28 -1.58 0.00 0.00 0.00 179.25 178.12 2mec s TRP 109 N -5.58 3.18 0.30 0.00 0.51 -0.97 -4.95 118.94 111.43 2mec s TRP 109 Ca -0.09 0.64 -0.01 0.00 -2.12 0.00 0.00 56.10 54.52 2mec s TRP 109 Cb 0.19 -3.16 0.47 0.00 -0.81 0.00 0.00 33.47 30.16 2mec s TRP 109 CO 0.76 -0.57 1.94 0.28 -0.51 0.00 0.00 176.95 178.85 2mec h VAL 110 N 5.61 1.15 -0.82 4.03 2.07 -1.89 -1.95 116.25 124.45 2mec h VAL 110 Ca -0.25 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 2mec h VAL 110 Cb 1.10 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 2mec h VAL 110 CO 0.85 0.20 0.51 0.00 0.02 0.00 0.00 177.57 179.16 2mec h ALA 111 N 1.49 1.05 -0.31 1.67 0.00 -1.95 -0.82 119.26 120.39 2mec h ALA 111 Ca 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2mec h ALA 111 Cb 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2mec h ALA 111 CO -0.10 0.50 0.13 2.35 0.00 0.00 0.00 179.25 182.13 2mec h TRP 112 N 1.13 0.45 -0.64 0.00 7.01 -1.69 0.75 115.95 122.96 2mec h TRP 112 Ca 0.30 -0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.28 2mec h TRP 112 Cb -0.07 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 26.82 2mec h TRP 112 CO -0.01 0.43 0.42 0.00 -2.79 0.00 0.00 178.44 176.48 2mec h ARG 113 N 0.35 0.82 -0.00 2.65 3.08 -1.16 0.69 114.38 120.80 2mec h ARG 113 Ca 0.10 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.94 2mec h ARG 113 Cb 0.15 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2mec h ARG 113 CO -0.01 0.54 -0.75 -0.91 -1.07 0.00 0.00 179.97 177.77 2mec h ASN 114 N 0.84 0.05 0.00 7.04 2.35 -0.98 -3.34 115.58 121.54 2mec h ASN 114 Ca 0.24 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2mec h ASN 114 Cb -0.06 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.29 2mec h ASN 114 CO -0.07 0.78 -0.99 0.54 -1.65 0.00 0.00 177.43 176.04 2mec n ARG 115 N -3.67 1.48 -0.01 0.81 1.74 0.24 -4.90 116.66 112.36 2mec n ARG 115 Ca -0.01 -0.04 -0.01 0.00 -0.77 0.00 0.00 57.85 57.02 2mec n ARG 115 Cb 0.73 -1.03 -0.01 0.00 -1.02 0.00 0.00 32.46 31.13 2mec n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2mec n GLN 117 N -2.59 2.05 -0.89 0.00 7.27 -0.33 -2.50 117.38 120.39 2mec n GLN 117 Ca -0.03 0.74 0.00 0.00 0.07 0.00 0.00 57.00 57.79 2mec n GLN 117 Cb 0.53 -2.51 0.00 0.00 2.41 0.00 0.00 30.24 30.67 2mec n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2mec n ASN 118 N 3.63 -2.16 -4.75 1.69 5.03 -1.26 -4.95 115.26 112.48 2mec n ASN 118 Ca 0.18 0.00 -0.24 0.00 0.87 0.00 0.00 54.58 55.38 2mec n ASN 118 Cb 0.28 -1.47 -0.06 0.00 -1.02 0.00 0.00 39.78 37.51 2mec n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2mec s ARG 119 N -0.67 2.71 -0.08 3.52 0.52 -1.04 -5.07 118.95 118.84 2mec s ARG 119 Ca 0.00 -1.06 -0.30 0.00 -0.52 0.00 0.00 55.73 53.85 2mec s ARG 119 Cb 0.00 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 2mec s ARG 119 CO 0.00 0.43 1.39 0.34 0.02 0.00 0.00 175.30 177.48 2mec s ASP 120 N -3.39 6.86 -0.09 0.23 -1.08 -1.26 -4.86 116.67 113.08 2mec s ASP 120 Ca 0.31 1.95 0.14 0.00 -0.52 0.00 0.00 52.55 54.43 2mec s ASP 120 Cb -0.09 -2.55 0.21 0.00 -1.46 0.00 0.00 42.92 39.04 2mec s ASP 120 CO 0.22 -0.77 1.10 1.33 0.52 0.00 0.00 175.17 177.57 2mec n VAL 121 N 5.11 1.50 0.23 1.11 0.24 -1.26 -4.74 118.33 120.52 2mec n VAL 121 Ca 0.14 -1.78 0.10 0.00 -2.04 0.00 0.00 64.34 60.76 2mec n VAL 121 Cb 0.44 -0.03 0.56 0.00 -1.47 0.00 0.00 33.84 33.35 2mec n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2mec h ARG 122 N 0.00 0.00 -0.49 7.34 3.08 -1.92 -2.95 114.38 119.43 2mec h ARG 122 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.15 2mec h ARG 122 Cb 0.99 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 2mec h ARG 122 CO 0.00 0.21 0.34 -0.56 -1.07 0.00 0.00 179.97 178.89 2mec h GLN 123 N 0.00 0.25 0.00 0.04 3.07 -1.95 -2.41 115.11 114.11 2mec h GLN 123 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 2mec h GLN 123 Cb 0.53 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 28.04 2mec h GLN 123 CO 0.03 0.16 -0.03 1.88 0.09 0.00 0.00 178.83 180.96 2mec h TYR 124 N 0.26 0.00 0.00 0.06 0.05 -1.86 -3.19 116.97 112.28 2mec h TYR 124 Ca 0.23 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.01 2mec h TYR 124 Cb 0.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.30 2mec h TYR 124 CO -0.00 0.03 0.00 1.33 -1.05 0.00 0.00 178.16 178.47 2mec n VAL 125 N -3.53 0.00 -1.97 -2.88 0.24 -0.95 -4.84 118.33 104.40 2mec n VAL 125 Ca -0.02 -0.38 -0.42 0.00 -2.04 0.00 0.00 64.34 61.48 2mec n VAL 125 Cb 0.14 1.10 -0.03 0.00 -1.47 0.00 0.00 33.84 33.58 2mec n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2mec s GLN 126 N -0.44 4.20 0.00 7.34 -1.52 -0.97 -1.92 119.66 126.34 2mec s GLN 126 Ca 0.00 2.26 0.00 0.00 -1.95 0.00 0.00 55.36 55.67 2mec s GLN 126 Cb 0.00 -3.77 0.00 0.00 -0.22 0.00 0.00 33.01 29.02 2mec s GLN 126 CO 0.00 -0.77 0.00 0.41 -0.25 0.00 0.00 175.29 174.68 2mec n GLY 127 N 4.04 0.39 0.08 3.09 0.00 -1.26 -4.94 105.19 106.59 2mec n GLY 127 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 2mec n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mec n GLY 129 N 1.48 -0.40 0.74 0.00 0.00 -1.26 -4.92 105.19 100.82 2mec n GLY 129 Ca 0.06 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.24 2mec n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65