#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2meh s VAL 2 N 0.00 4.22 0.60 3.15 1.01 -1.26 -0.96 120.40 127.16 2meh s VAL 2 Ca 0.00 -1.26 -0.17 0.00 0.00 0.00 0.00 61.98 60.55 2meh s VAL 2 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 2meh s VAL 2 CO 0.00 -0.41 1.10 -0.36 0.00 0.00 0.00 175.10 175.43 2meh s PHE 3 N 1.44 2.74 0.22 5.22 0.40 -0.45 -5.01 117.98 122.55 2meh s PHE 3 Ca 0.02 1.54 -0.09 0.00 -0.60 0.00 0.00 56.93 57.81 2meh s PHE 3 Cb -0.22 -3.16 -0.07 0.00 0.51 0.00 0.00 43.02 40.09 2meh s PHE 3 CO 0.03 -1.47 0.53 -1.21 0.70 0.00 0.00 175.22 173.80 2meh s GLU 4 N -3.81 3.77 0.08 0.44 2.02 -1.26 -4.87 118.70 115.06 2meh s GLU 4 Ca 0.68 0.22 -0.18 0.00 0.02 0.00 0.00 54.97 55.70 2meh s GLU 4 Cb -0.20 -2.67 -0.06 0.00 0.10 0.00 0.00 34.13 31.30 2meh s GLU 4 CO 0.35 0.33 1.30 -0.09 0.02 0.00 0.00 175.26 177.18 2meh h ARG 5 N 2.55 -0.16 -0.16 1.61 2.43 -1.96 -1.72 114.38 116.97 2meh h ARG 5 Ca -0.47 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.67 2meh h ARG 5 Cb 1.17 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 2meh h ARG 5 CO 0.69 -0.11 -0.11 0.00 -1.51 0.00 0.00 179.97 178.94 2meh h GLU 7 N 0.24 0.67 -0.54 0.00 4.81 -1.86 -1.68 114.58 116.23 2meh h GLU 7 Ca 0.05 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 2meh h GLU 7 Cb 0.35 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2meh h GLU 7 CO 0.02 0.51 0.08 1.25 -0.73 0.00 0.00 179.01 180.15 2meh h LEU 8 N 0.65 0.86 -0.33 1.64 5.85 -0.89 -2.33 115.31 120.76 2meh h LEU 8 Ca 0.17 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.69 2meh h LEU 8 Cb 0.03 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 2meh h LEU 8 CO -0.03 0.90 -0.01 0.00 -0.34 0.00 0.00 178.44 178.96 2meh h ALA 9 N 0.99 0.29 -0.53 1.25 0.00 -0.95 0.23 119.26 120.54 2meh h ALA 9 Ca 0.16 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2meh h ALA 9 Cb 0.41 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2meh h ALA 9 CO 0.01 -0.41 0.03 0.00 0.00 0.00 0.00 179.25 178.89 2meh h ARG 10 N 0.08 0.86 -0.06 0.00 3.08 -1.23 -2.11 114.38 115.01 2meh h ARG 10 Ca 0.16 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2meh h ARG 10 Cb 0.22 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 2meh h ARG 10 CO -0.28 0.84 0.02 1.15 -1.07 0.00 0.00 179.97 180.63 2meh h THR 11 N 0.81 1.17 -0.90 2.04 2.02 -0.81 -1.84 112.91 115.40 2meh h THR 11 Ca 0.16 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 2meh h THR 11 Cb 0.44 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 68.21 2meh h THR 11 CO 0.02 0.14 0.54 -0.07 0.37 0.00 0.00 175.52 176.52 2meh h LEU 12 N -0.10 1.07 -0.88 2.58 3.38 -0.86 -1.42 115.31 119.08 2meh h LEU 12 Ca 0.02 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2meh h LEU 12 Cb 0.21 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2meh h LEU 12 CO -0.00 0.82 0.29 0.50 0.09 0.00 0.00 178.44 180.14 2meh h LYS 13 N 1.23 1.12 0.00 1.13 3.64 -1.23 -1.91 116.57 120.55 2meh h LYS 13 Ca 0.32 -0.20 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 2meh h LYS 13 Cb -0.06 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 2meh h LYS 13 CO -0.06 0.91 -0.43 -0.09 -2.27 0.00 0.00 179.45 177.51 2meh h ARG 14 N 1.09 0.00 -0.05 1.90 2.43 -0.63 -2.13 114.38 116.99 2meh h ARG 14 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2meh h ARG 14 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2meh h ARG 14 CO -0.02 0.43 0.00 1.28 -1.51 0.00 0.00 179.97 180.15 2meh n LEU 15 N -3.85 0.54 -0.91 3.80 4.77 -0.60 -4.92 117.00 115.83 2meh n LEU 15 Ca -0.01 -0.22 -0.06 0.00 -0.03 0.00 0.00 56.01 55.69 2meh n LEU 15 Cb 0.48 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 2meh n LEU 15 CO 0.39 0.11 -0.01 0.61 -1.33 0.00 0.00 177.39 177.15 2meh n GLY 16 N 0.92 0.32 0.13 -0.72 0.00 -0.80 -4.97 105.19 100.06 2meh n GLY 16 Ca 0.15 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.70 2meh n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2meh h MET 17 N -0.29 0.00 -6.16 1.61 2.86 -1.55 -3.41 114.93 107.99 2meh h MET 17 Ca -0.14 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.92 2meh h MET 17 Cb 1.10 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 2meh h MET 17 CO 0.15 0.08 1.36 0.34 1.06 0.00 0.00 176.91 179.90 2meh s ASP 18 N -5.61 5.73 0.00 1.22 2.15 -1.26 -1.81 116.67 117.08 2meh s ASP 18 Ca 0.00 1.56 0.00 0.00 0.43 0.00 0.00 52.55 54.55 2meh s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2meh s ASP 18 CO 0.78 -1.80 0.00 0.61 -0.17 0.00 0.00 175.17 174.59 2meh n GLY 19 N 5.54 0.62 3.66 2.66 0.00 -0.09 -4.90 105.19 112.67 2meh n GLY 19 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 2meh n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2meh s TYR 20 N -2.35 1.25 -1.45 1.61 5.04 -0.75 -1.30 117.35 119.40 2meh s TYR 20 Ca 0.00 -0.44 -0.10 0.00 -2.44 0.00 0.00 57.07 54.09 2meh s TYR 20 Cb 0.00 -4.24 0.06 0.00 0.35 0.00 0.00 41.96 38.13 2meh s TYR 20 CO 0.00 -5.56 0.74 0.54 -1.34 0.00 0.00 175.55 169.93 2meh n ARG 21 N 7.61 -4.75 -0.90 4.97 5.12 -1.26 -1.37 116.66 126.08 2meh n ARG 21 Ca 0.20 0.63 0.00 0.00 -1.93 0.00 0.00 57.85 56.76 2meh n ARG 21 Cb 0.41 -5.46 0.00 0.00 -1.16 0.00 0.00 32.46 26.25 2meh n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2meh n GLY 22 N -1.49 0.73 3.50 -0.13 0.00 -0.42 -5.01 105.19 102.37 2meh n GLY 22 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2meh n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2meh s ILE 23 N -2.79 5.27 0.73 -0.61 1.01 -0.47 -4.91 121.20 119.42 2meh s ILE 23 Ca 0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 60.65 60.13 2meh s ILE 23 Cb 0.00 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.73 2meh s ILE 23 CO 0.00 -0.11 1.20 -0.94 0.00 0.00 0.00 174.94 175.09 2meh s SER 24 N 1.71 4.22 0.25 3.58 1.04 -1.26 -0.92 113.70 122.32 2meh s SER 24 Ca 0.06 2.34 -0.04 0.00 0.48 0.00 0.00 55.95 58.79 2meh s SER 24 Cb -0.18 -2.59 0.38 0.00 0.10 0.00 0.00 66.02 63.73 2meh s SER 24 CO 0.10 -2.25 1.85 0.25 0.98 0.00 0.00 173.24 174.18 2meh h LEU 25 N -0.30 0.88 -2.15 2.42 5.85 -1.91 -1.45 115.31 118.66 2meh h LEU 25 Ca -0.48 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2meh h LEU 25 Cb 1.29 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 2meh h LEU 25 CO 0.50 0.55 -0.03 0.00 -0.34 0.00 0.00 178.44 179.12 2meh h ALA 26 N 1.43 1.74 -0.18 1.25 0.00 -1.91 -0.70 119.26 120.89 2meh h ALA 26 Ca 0.40 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 55.08 2meh h ALA 26 Cb 0.21 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2meh h ALA 26 CO -0.19 0.03 -0.72 -0.91 0.00 0.00 0.00 179.25 177.46 2meh h ASN 27 N 0.00 0.94 -0.60 0.00 2.35 -1.59 -1.17 115.58 115.50 2meh h ASN 27 Ca -0.00 -0.61 -0.07 0.00 -0.55 0.00 0.00 56.30 55.07 2meh h ASN 27 Cb 0.05 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 2meh h ASN 27 CO 0.00 1.40 0.11 -0.50 -1.65 0.00 0.00 177.43 176.79 2meh h TRP 28 N 0.54 1.08 -0.43 1.19 4.06 -1.12 -1.10 115.95 120.16 2meh h TRP 28 Ca -0.04 -0.14 -0.05 0.00 2.06 0.00 0.00 58.89 60.73 2meh h TRP 28 Cb 1.35 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 29.19 2meh h TRP 28 CO 0.09 0.91 0.09 0.52 -3.56 0.00 0.00 178.44 176.48 2meh h MET 29 N 0.96 0.70 -0.65 0.49 2.86 -1.07 -1.33 114.93 116.89 2meh h MET 29 Ca 0.19 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2meh h MET 29 Cb 0.41 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2meh h MET 29 CO 0.01 0.72 0.39 0.00 1.06 0.00 0.00 176.91 179.09 2meh h LEU 31 N 0.89 -0.19 -1.19 0.00 5.85 -0.99 -2.19 115.31 117.49 2meh h LEU 31 Ca 0.23 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.91 2meh h LEU 31 Cb -0.02 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2meh h LEU 31 CO -0.04 -0.07 0.52 0.00 -0.34 0.00 0.00 178.44 178.50 2meh h ALA 32 N 0.53 1.41 -0.16 1.25 0.00 -1.13 0.10 119.26 121.26 2meh h ALA 32 Ca -0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2meh h ALA 32 Cb 0.23 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2meh h ALA 32 CO 0.04 0.54 0.10 -0.22 0.00 0.00 0.00 179.25 179.71 2meh h LYS 33 N 1.10 0.22 0.00 0.00 1.63 -1.09 -1.58 116.57 116.85 2meh h LYS 33 Ca 0.29 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.95 2meh h LYS 33 Cb -0.11 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.46 2meh h LYS 33 CO -0.06 0.19 -0.62 -1.49 -3.45 0.00 0.00 179.45 174.01 2meh h TRP 34 N 0.19 0.00 0.06 1.91 4.06 -1.10 -1.80 115.95 119.27 2meh h TRP 34 Ca 0.06 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.89 2meh h TRP 34 Cb 0.02 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.19 2meh h TRP 34 CO -0.05 0.61 -0.49 0.93 -3.56 0.00 0.00 178.44 175.88 2meh h GLU 35 N 0.00 0.22 0.00 0.49 4.39 -0.75 -3.43 114.58 115.51 2meh h GLU 35 Ca -0.01 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2meh h GLU 35 Cb 1.47 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.23 2meh h GLU 35 CO 0.08 1.10 0.00 -1.13 -1.16 0.00 0.00 179.01 177.90 2meh n SER 36 N -4.32 0.14 -1.16 1.42 3.41 -0.64 -4.85 113.62 107.62 2meh n SER 36 Ca -0.12 -0.50 -0.09 0.00 -0.26 0.00 0.00 58.87 57.91 2meh n SER 36 Cb 0.66 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 2meh n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2meh n GLY 37 N 0.23 0.08 2.56 5.00 0.00 -0.67 -2.94 105.19 109.45 2meh n GLY 37 Ca 0.00 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 2meh n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2meh n TYR 38 N -3.91 -1.22 -3.75 1.61 4.01 -1.14 -4.79 117.16 107.97 2meh n TYR 38 Ca -0.08 0.19 -0.36 0.00 -0.16 0.00 0.00 57.90 57.48 2meh n TYR 38 Cb 0.57 -3.81 -0.13 0.00 -0.31 0.00 0.00 39.34 35.66 2meh n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2meh s ASN 39 N -2.40 5.14 0.48 7.72 2.47 -1.15 -1.34 114.94 125.85 2meh s ASN 39 Ca 0.11 -0.20 0.27 0.00 0.42 0.00 0.00 52.86 53.46 2meh s ASN 39 Cb -0.05 -1.92 0.89 0.00 -1.45 0.00 0.00 41.25 38.72 2meh s ASN 39 CO 0.13 -0.03 1.81 0.71 -3.72 0.00 0.00 177.10 176.00 2meh h THR 40 N 5.54 0.16 -0.41 -5.21 1.35 -1.38 -3.21 112.91 109.75 2meh h THR 40 Ca -0.38 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 2meh h THR 40 Cb 1.17 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 2meh h THR 40 CO 0.58 0.07 0.00 -2.11 -0.25 0.00 0.00 175.52 173.81 2meh n ARG 41 N -3.16 2.43 -1.89 4.72 1.85 -1.26 -4.17 116.66 115.18 2meh n ARG 41 Ca 0.02 -2.18 -0.42 0.00 -1.00 0.00 0.00 57.85 54.27 2meh n ARG 41 Cb 0.42 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.30 2meh n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2meh s ALA 42 N -1.47 3.79 0.04 2.89 0.00 -1.21 -4.81 121.76 121.00 2meh s ALA 42 Ca 0.39 1.43 0.03 0.00 0.00 0.00 0.00 51.96 53.80 2meh s ALA 42 Cb 0.22 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 2meh s ALA 42 CO 0.31 -0.82 -0.08 0.95 0.00 0.00 0.00 175.76 176.12 2meh s THR 43 N 0.95 0.61 -0.12 0.00 -4.23 -1.26 -0.68 115.64 110.91 2meh s THR 43 Ca 0.69 -1.01 -0.04 0.00 -1.18 0.00 0.00 61.69 60.15 2meh s THR 43 Cb -0.45 -0.65 0.06 0.00 1.34 0.00 0.00 72.50 72.81 2meh s THR 43 CO 0.34 -0.30 0.21 0.21 -0.54 0.00 0.00 174.62 174.55 2meh s ASN 44 N -1.42 0.68 -0.04 3.99 2.47 -0.55 -4.96 114.94 115.10 2meh s ASN 44 Ca -0.07 0.36 -0.25 0.00 0.42 0.00 0.00 52.86 53.31 2meh s ASN 44 Cb -0.09 0.48 -0.04 0.00 -1.45 0.00 0.00 41.25 40.15 2meh s ASN 44 CO 0.01 -0.26 0.78 -0.47 -3.72 0.00 0.00 177.10 173.44 2meh s TYR 45 N 2.35 3.62 -0.69 0.43 5.04 -1.26 -0.56 117.35 126.29 2meh s TYR 45 Ca 0.03 1.39 -0.10 0.00 -2.44 0.00 0.00 57.07 55.95 2meh s TYR 45 Cb -0.13 -2.89 0.18 0.00 0.35 0.00 0.00 41.96 39.47 2meh s TYR 45 CO -0.08 0.08 0.58 -0.80 -1.34 0.00 0.00 175.55 174.00 2meh s ASN 46 N 0.75 6.12 0.35 4.32 0.01 0.20 -4.92 114.94 121.76 2meh s ASN 46 Ca 0.41 -2.53 0.09 0.00 -0.71 0.00 0.00 52.86 50.13 2meh s ASN 46 Cb -0.19 -2.08 0.83 0.00 0.41 0.00 0.00 41.25 40.22 2meh s ASN 46 CO 0.21 -0.56 1.83 0.00 -1.51 0.00 0.00 177.10 177.07 2meh h ALA 47 N 7.79 1.84 -0.63 0.60 0.00 -1.95 0.01 119.26 126.91 2meh h ALA 47 Ca -0.02 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.04 2meh h ALA 47 Cb 1.03 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2meh h ALA 47 CO 0.79 -0.13 0.43 0.78 0.00 0.00 0.00 179.25 181.11 2meh h GLY 48 N 0.68 0.60 0.00 0.00 0.00 -1.95 -3.25 103.07 99.15 2meh h GLY 48 Ca 0.50 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2meh h GLY 48 CO -0.26 0.09 0.00 2.09 0.00 0.00 0.00 176.54 178.46 2meh n ASP 49 N -4.47 0.70 -1.40 0.19 5.75 -0.97 -5.02 116.55 111.32 2meh n ASP 49 Ca 0.11 -1.34 -0.16 0.00 -0.01 0.00 0.00 54.79 53.39 2meh n ASP 49 Cb 0.41 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.45 2meh n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2meh n ARG 50 N -0.17 -1.15 -3.85 0.11 1.74 -0.05 -4.83 116.66 108.46 2meh n ARG 50 Ca 0.00 0.96 -0.21 0.00 -0.77 0.00 0.00 57.85 57.82 2meh n ARG 50 Cb 0.39 -5.19 -0.04 0.00 -1.02 0.00 0.00 32.46 26.60 2meh n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2meh s SER 51 N -2.65 5.27 0.01 0.55 1.04 -1.20 -4.50 113.70 112.22 2meh s SER 51 Ca 0.00 -0.49 0.03 0.00 0.48 0.00 0.00 55.95 55.97 2meh s SER 51 Cb 0.00 -1.00 -0.01 0.00 0.10 0.00 0.00 66.02 65.11 2meh s SER 51 CO 0.00 -0.32 -0.10 -0.89 0.98 0.00 0.00 173.24 172.91 2meh s THR 52 N -2.30 0.75 -0.15 2.02 2.01 -1.26 -0.63 115.64 116.09 2meh s THR 52 Ca 0.40 -0.66 -0.13 0.00 0.31 0.00 0.00 61.69 61.61 2meh s THR 52 Cb -0.06 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 2meh s THR 52 CO 0.26 0.03 0.29 -1.81 -0.69 0.00 0.00 174.62 172.70 2meh s ASP 53 N -0.70 6.45 -0.07 3.53 1.01 0.28 -1.43 116.67 125.74 2meh s ASP 53 Ca 0.00 0.53 0.04 0.00 0.71 0.00 0.00 52.55 53.83 2meh s ASP 53 Cb -0.06 -2.18 -0.00 0.00 1.01 0.00 0.00 42.92 41.69 2meh s ASP 53 CO 0.00 0.13 -0.21 -0.31 0.21 0.00 0.00 175.17 175.00 2meh s TYR 54 N 0.29 2.18 0.00 4.23 2.02 0.10 -1.48 117.35 124.68 2meh s TYR 54 Ca 0.17 -0.78 0.00 0.00 -0.37 0.00 0.00 57.07 56.09 2meh s TYR 54 Cb -0.13 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 39.96 2meh s TYR 54 CO 0.04 -0.30 0.00 0.41 -1.57 0.00 0.00 175.55 174.13 2meh n GLY 55 N 3.38 -2.11 0.34 0.71 0.00 0.15 -1.93 105.19 105.72 2meh n GLY 55 Ca -0.19 -1.56 0.13 0.00 0.00 0.00 0.00 46.02 44.41 2meh n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2meh h ILE 56 N 0.00 0.87 -0.27 -0.61 2.10 -1.72 -1.03 117.51 116.86 2meh h ILE 56 Ca 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.87 2meh h ILE 56 Cb 0.00 0.65 0.00 0.00 -1.09 0.00 0.00 36.82 36.38 2meh h ILE 56 CO 0.00 0.04 0.00 0.49 -1.08 0.00 0.00 178.15 177.60 2meh n PHE 57 N -4.45 0.34 -3.75 2.19 3.72 -1.26 -4.01 117.46 110.24 2meh n PHE 57 Ca 0.07 -0.23 -0.31 0.00 -0.05 0.00 0.00 57.45 56.93 2meh n PHE 57 Cb 0.38 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.95 2meh n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2meh n GLN 58 N 1.07 -1.60 -2.71 -1.08 1.13 -0.39 -4.92 117.38 108.88 2meh n GLN 58 Ca 0.14 0.43 -0.41 0.00 -1.94 0.00 0.00 57.00 55.22 2meh n GLN 58 Cb 0.49 -4.12 -0.04 0.00 0.11 0.00 0.00 30.24 26.68 2meh n GLN 58 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2meh s THR 59 N -3.55 4.62 0.15 5.09 2.01 -0.81 -4.47 115.64 118.68 2meh s THR 59 Ca 0.39 2.05 -0.30 0.00 0.31 0.00 0.00 61.69 64.14 2meh s THR 59 Cb -0.14 -4.31 -0.07 0.00 0.01 0.00 0.00 72.50 67.99 2meh s THR 59 CO 0.87 0.25 1.00 0.21 -0.69 0.00 0.00 174.62 176.27 2meh s ASN 60 N 0.40 7.44 0.20 3.53 3.84 -1.26 -0.72 114.94 128.37 2meh s ASN 60 Ca 0.49 1.90 0.22 0.00 0.21 0.00 0.00 52.86 55.68 2meh s ASN 60 Cb -0.23 -2.60 0.90 0.00 -0.55 0.00 0.00 41.25 38.78 2meh s ASN 60 CO 0.29 -0.09 1.66 -1.54 -2.79 0.00 0.00 177.10 174.63 2meh n SER 61 N 2.52 0.52 0.06 -4.21 3.41 -0.51 -1.57 113.62 113.84 2meh n SER 61 Ca 0.02 0.63 -0.09 0.00 -0.26 0.00 0.00 58.87 59.17 2meh n SER 61 Cb 0.48 -0.74 0.04 0.00 -0.26 0.00 0.00 64.21 63.73 2meh n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2meh h ARG 62 N 0.00 0.34 0.00 4.33 2.43 -1.84 -3.40 114.38 116.24 2meh h ARG 62 Ca 0.00 -0.28 -0.05 0.00 -0.81 0.00 0.00 59.98 58.84 2meh h ARG 62 Cb 0.34 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2meh h ARG 62 CO 0.00 0.93 -1.19 0.66 -1.51 0.00 0.00 179.97 178.86 2meh n TYR 63 N -3.82 0.00 -0.12 2.20 4.01 -1.18 -0.23 117.16 118.02 2meh n TYR 63 Ca -0.04 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.52 2meh n TYR 63 Cb 0.70 -0.13 -0.12 0.00 -0.31 0.00 0.00 39.34 39.48 2meh n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2meh n TRP 64 N -2.29 0.04 -4.26 -0.72 7.02 -0.61 -1.56 117.44 115.07 2meh n TRP 64 Ca -0.05 0.01 -0.14 0.00 -1.02 0.00 0.00 57.50 56.30 2meh n TRP 64 Cb 0.58 -1.01 -0.10 0.00 -2.42 0.00 0.00 31.31 28.36 2meh n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2meh s ASN 66 N -3.18 5.80 0.00 0.00 2.47 -0.29 -4.52 114.94 115.22 2meh s ASN 66 Ca 0.19 0.06 0.00 0.00 0.42 0.00 0.00 52.86 53.53 2meh s ASN 66 Cb 0.04 -2.03 0.00 0.00 -1.45 0.00 0.00 41.25 37.81 2meh s ASN 66 CO 0.02 0.09 0.72 -0.90 -3.72 0.00 0.00 177.10 173.31 2meh n ASP 67 N 4.08 1.35 0.00 -4.21 5.75 -1.26 -1.32 116.55 120.95 2meh n ASP 67 Ca -0.16 -1.50 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 2meh n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2meh n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2meh n GLY 68 N -0.25 1.92 0.77 6.12 0.00 -1.26 -4.71 105.19 107.78 2meh n GLY 68 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2meh n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2meh n LYS 69 N -0.74 1.75 -3.23 1.61 2.85 -1.26 -4.93 118.16 114.22 2meh n LYS 69 Ca 0.00 -1.74 -0.40 0.00 -1.05 0.00 0.00 58.31 55.12 2meh n LYS 69 Cb 0.00 -1.36 -0.08 0.00 -0.65 0.00 0.00 35.03 32.95 2meh n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2meh s THR 70 N -1.35 5.05 0.53 0.58 2.01 -1.26 -4.98 115.64 116.21 2meh s THR 70 Ca 0.24 0.76 -0.22 0.00 0.31 0.00 0.00 61.69 62.78 2meh s THR 70 Cb 0.16 -3.87 -0.06 0.00 0.01 0.00 0.00 72.50 68.74 2meh s THR 70 CO 0.23 0.00 1.34 -2.65 -0.69 0.00 0.00 174.62 172.85 2meh n PRO 71 N 5.61 1.74 -4.38 4.92 -0.02 -1.26 -3.41 135.00 138.20 2meh n PRO 71 Ca -0.04 0.64 -0.37 0.00 -2.02 0.00 0.00 63.50 61.70 2meh n PRO 71 Cb 0.50 -2.54 -0.07 0.00 -0.02 0.00 0.00 33.50 31.36 2meh n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2meh n GLY 72 N 0.77 -0.32 3.92 -1.23 0.00 -1.26 -4.92 105.19 102.14 2meh n GLY 72 Ca 0.10 0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 2meh n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2meh s ALA 73 N -3.63 3.94 0.44 4.61 0.00 -1.22 -4.97 121.76 120.93 2meh s ALA 73 Ca 0.52 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.57 2meh s ALA 73 Cb -0.30 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 2meh s ALA 73 CO 0.99 0.66 0.14 0.14 0.00 0.00 0.00 175.76 177.69 2meh s VAL 74 N -1.64 2.02 -0.49 0.00 -7.23 0.68 -5.00 120.40 108.75 2meh s VAL 74 Ca 0.34 -1.78 0.07 0.00 -1.81 0.00 0.00 61.98 58.80 2meh s VAL 74 Cb -0.12 -2.80 0.25 0.00 0.56 0.00 0.00 36.38 34.27 2meh s VAL 74 CO 0.28 0.00 0.62 -3.20 -0.31 0.00 0.00 175.10 172.49 2meh n ASN 75 N -1.24 1.64 0.25 4.85 5.15 -1.25 -3.95 115.26 120.72 2meh n ASN 75 Ca -0.04 -3.00 0.09 0.00 -0.60 0.00 0.00 54.58 51.02 2meh n ASN 75 Cb 0.65 -0.65 0.65 0.00 -0.53 0.00 0.00 39.78 39.90 2meh n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2meh h ALA 76 N 4.03 1.73 -0.00 5.20 0.00 -1.31 -0.67 119.26 128.23 2meh h ALA 76 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2meh h ALA 76 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2meh h ALA 76 CO 0.61 0.10 -0.17 0.00 0.00 0.00 0.00 179.25 179.80 2meh n HIS 78 N -1.26 -1.90 -3.93 0.00 -0.00 -0.26 -4.98 115.22 102.88 2meh n HIS 78 Ca 0.10 0.74 -0.10 0.00 -0.00 0.00 0.00 57.72 58.47 2meh n HIS 78 Cb 0.31 -4.06 -0.10 0.00 -0.00 0.00 0.00 29.99 26.14 2meh n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2meh s LEU 79 N -6.59 1.89 0.39 2.41 1.43 -1.26 -5.07 118.68 111.88 2meh s LEU 79 Ca 0.13 -0.44 -0.23 0.00 -1.03 0.00 0.00 54.13 52.56 2meh s LEU 79 Cb -0.04 0.45 -0.10 0.00 0.03 0.00 0.00 46.19 46.53 2meh s LEU 79 CO 0.83 -0.41 0.98 -0.55 0.23 0.00 0.00 176.35 177.44 2meh s SER 80 N -1.72 6.97 0.62 2.29 0.15 -1.26 -1.14 113.70 119.60 2meh s SER 80 Ca -0.11 1.85 0.40 0.00 0.70 0.00 0.00 55.95 58.79 2meh s SER 80 Cb -0.05 -2.57 1.98 0.00 -1.71 0.00 0.00 66.02 63.67 2meh s SER 80 CO -0.02 -0.34 2.21 0.00 1.20 0.00 0.00 173.24 176.29 2meh h SER 82 N 0.00 0.50 0.02 0.00 0.87 -1.91 -1.97 113.55 111.06 2meh h SER 82 Ca 0.00 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2meh h SER 82 Cb 0.21 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2meh h SER 82 CO 0.00 0.35 -0.02 0.00 -0.53 0.00 0.00 176.83 176.63 2meh h ALA 83 N 1.70 1.85 -0.15 6.23 0.00 -1.69 -1.20 119.26 126.00 2meh h ALA 83 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2meh h ALA 83 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2meh h ALA 83 CO -0.05 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.50 2meh n LEU 84 N -4.34 0.94 -0.43 0.00 4.77 -0.74 -3.46 117.00 113.74 2meh n LEU 84 Ca -0.03 -0.45 0.05 0.00 -0.03 0.00 0.00 56.01 55.55 2meh n LEU 84 Cb 0.10 -0.10 0.07 0.00 -2.33 0.00 0.00 43.42 41.17 2meh n LEU 84 CO 0.33 0.22 0.48 0.18 -1.33 0.00 0.00 177.39 177.27 2meh n LEU 85 N -0.05 2.15 -4.83 2.23 4.77 -0.45 -3.49 117.00 117.33 2meh n LEU 85 Ca 0.09 -1.39 -0.31 0.00 -0.03 0.00 0.00 56.01 54.38 2meh n LEU 85 Cb 0.17 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.24 2meh n LEU 85 CO 0.07 0.48 0.71 -1.10 -1.33 0.00 0.00 177.39 176.22 2meh s GLN 86 N -0.86 2.94 0.25 3.23 -0.21 -1.22 -4.46 119.66 119.33 2meh s GLN 86 Ca 0.14 0.90 0.11 0.00 0.02 0.00 0.00 55.36 56.53 2meh s GLN 86 Cb 0.09 -1.99 0.25 0.00 1.00 0.00 0.00 33.01 32.35 2meh s GLN 86 CO 0.12 -1.08 1.54 -0.44 -2.12 0.00 0.00 175.29 173.31 2meh h ASP 87 N -0.70 0.00 -3.40 5.90 5.19 -1.93 -3.41 116.42 118.07 2meh h ASP 87 Ca -0.44 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.38 2meh h ASP 87 Cb 1.21 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.64 2meh h ASP 87 CO 0.58 0.66 0.67 0.21 -3.12 0.00 0.00 179.24 178.23 2meh s ASN 88 N -6.71 6.79 -0.00 6.45 3.84 -1.26 -4.93 114.94 119.12 2meh s ASN 88 Ca -0.00 0.81 0.11 0.00 0.21 0.00 0.00 52.86 53.98 2meh s ASN 88 Cb 0.11 -2.49 0.31 0.00 -0.55 0.00 0.00 41.25 38.63 2meh s ASN 88 CO 0.76 -0.81 1.25 2.30 -2.79 0.00 0.00 177.10 177.81 2meh n ILE 89 N 5.83 0.47 -0.21 -5.21 -5.35 -1.26 -4.40 119.36 109.23 2meh n ILE 89 Ca 0.09 -0.46 0.01 0.00 -0.27 0.00 0.00 62.75 62.12 2meh n ILE 89 Cb 0.48 0.22 0.13 0.00 -1.74 0.00 0.00 39.64 38.73 2meh n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2meh h ALA 90 N 3.63 0.82 -0.20 -1.28 0.00 -1.95 0.13 119.26 120.40 2meh h ALA 90 Ca 0.00 0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 2meh h ALA 90 Cb 0.47 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2meh h ALA 90 CO 0.00 -0.24 -0.65 -0.44 0.00 0.00 0.00 179.25 177.92 2meh h ASP 91 N 0.36 0.84 -0.02 0.00 3.32 -1.87 -1.65 116.42 117.39 2meh h ASP 91 Ca 0.33 -0.50 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 2meh h ASP 91 Cb 0.47 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2meh h ASP 91 CO -0.37 1.27 -0.09 0.00 -1.72 0.00 0.00 179.24 178.33 2meh h ALA 92 N 0.73 1.52 -0.09 3.45 0.00 -1.67 -0.97 119.26 122.24 2meh h ALA 92 Ca -0.02 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2meh h ALA 92 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2meh h ALA 92 CO 0.13 0.34 -0.35 0.28 0.00 0.00 0.00 179.25 179.65 2meh h VAL 93 N 0.26 1.40 -0.87 0.00 2.07 -0.87 -1.41 116.25 116.83 2meh h VAL 93 Ca 0.05 -1.72 0.04 0.00 0.82 0.00 0.00 66.70 65.89 2meh h VAL 93 Cb 0.33 2.26 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 2meh h VAL 93 CO 0.02 0.50 0.57 0.00 0.02 0.00 0.00 177.57 178.68 2meh h ALA 94 N 0.45 1.46 -0.17 1.67 0.00 -0.90 -1.27 119.26 120.51 2meh h ALA 94 Ca -0.02 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 2meh h ALA 94 Cb 0.99 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2meh h ALA 94 CO 0.07 0.45 -0.71 0.00 0.00 0.00 0.00 179.25 179.07 2meh h ALA 96 N 0.69 1.40 -0.57 0.00 0.00 -0.77 -0.92 119.26 119.08 2meh h ALA 96 Ca -0.03 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 2meh h ALA 96 Cb 1.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2meh h ALA 96 CO 0.14 0.42 0.09 0.87 0.00 0.00 0.00 179.25 180.77 2meh h LYS 97 N 0.44 0.92 -0.48 0.00 1.57 -1.13 -2.53 116.57 115.36 2meh h LYS 97 Ca 0.09 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 2meh h LYS 97 Cb 0.34 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2meh h LYS 97 CO 0.01 0.86 0.07 -0.09 -0.57 0.00 0.00 179.45 179.73 2meh h ARG 98 N 0.87 0.80 -0.21 3.15 9.65 -1.02 -2.84 114.38 124.76 2meh h ARG 98 Ca 0.18 -0.22 0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2meh h ARG 98 Cb 0.39 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 2meh h ARG 98 CO 0.01 0.81 0.07 0.28 2.80 0.00 0.00 179.97 183.94 2meh h VAL 99 N 0.66 0.94 0.00 0.20 2.07 -0.87 -2.44 116.25 116.81 2meh h VAL 99 Ca 0.14 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.61 2meh h VAL 99 Cb 0.41 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2meh h VAL 99 CO 0.01 0.03 0.00 1.33 0.02 0.00 0.00 177.57 178.96 2meh n VAL 100 N -5.05 0.25 1.27 2.57 0.24 -0.98 -2.28 118.33 114.35 2meh n VAL 100 Ca -0.02 0.06 0.14 0.00 -2.04 0.00 0.00 64.34 62.48 2meh n VAL 100 Cb 0.08 -0.70 0.69 0.00 -1.47 0.00 0.00 33.84 32.45 2meh n VAL 100 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2meh n ARG 101 N -1.24 0.33 -2.70 7.34 0.63 -0.92 -4.20 116.66 115.90 2meh n ARG 101 Ca 0.12 0.02 -0.28 0.00 -0.92 0.00 0.00 57.85 56.78 2meh n ARG 101 Cb 0.16 -1.50 -0.01 0.00 0.45 0.00 0.00 32.46 31.56 2meh n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2meh s ASP 102 N -2.65 6.35 0.37 6.15 1.11 -0.97 -4.99 116.67 122.05 2meh s ASP 102 Ca 0.24 1.01 0.19 0.00 0.18 0.00 0.00 52.55 54.17 2meh s ASP 102 Cb 0.19 -2.28 1.16 0.00 1.07 0.00 0.00 42.92 43.06 2meh s ASP 102 CO 0.45 -0.52 1.68 1.55 1.18 0.00 0.00 175.17 179.51 2meh h PRO 103 N 0.58 0.28 0.00 8.23 0.13 -1.88 -0.98 132.00 138.36 2meh h PRO 103 Ca -0.47 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 2meh h PRO 103 Cb 1.20 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2meh h PRO 103 CO 0.62 0.19 -0.42 1.96 -0.23 0.00 0.00 178.00 180.12 2meh h GLN 104 N 0.29 0.00 0.00 0.86 4.20 -1.91 -3.48 115.11 115.07 2meh h GLN 104 Ca 0.72 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.43 2meh h GLN 104 Cb 1.83 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.61 2meh h GLN 104 CO -0.49 0.42 0.00 0.41 -0.67 0.00 0.00 178.83 178.50 2meh n GLY 105 N -0.21 2.08 0.27 3.46 0.00 -0.38 -2.45 105.19 107.97 2meh n GLY 105 Ca -0.02 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.62 2meh n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2meh h ILE 106 N 0.00 0.71 0.00 -0.61 6.09 -1.90 -2.35 117.51 119.44 2meh h ILE 106 Ca 0.00 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 2meh h ILE 106 Cb 0.00 1.11 0.00 0.00 0.47 0.00 0.00 36.82 38.40 2meh h ILE 106 CO 0.00 0.05 0.00 0.54 -3.07 0.00 0.00 178.15 175.67 2meh n ARG 107 N -4.00 0.12 0.11 2.19 1.74 -1.02 -2.47 116.66 113.32 2meh n ARG 107 Ca -0.03 0.55 0.15 0.00 -0.77 0.00 0.00 57.85 57.76 2meh n ARG 107 Cb 0.14 -1.84 0.68 0.00 -1.02 0.00 0.00 32.46 30.41 2meh n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2meh h ALA 108 N 2.08 2.29 -2.45 7.54 0.00 -1.59 -3.36 119.26 123.77 2meh h ALA 108 Ca 0.00 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.26 2meh h ALA 108 Cb 0.09 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.75 2meh h ALA 108 CO 0.00 -0.39 -0.03 -1.58 0.00 0.00 0.00 179.25 177.25 2meh s TRP 109 N -5.02 3.19 0.41 0.00 0.51 -1.03 -4.95 118.94 112.05 2meh s TRP 109 Ca -0.05 0.24 0.10 0.00 -2.12 0.00 0.00 56.10 54.26 2meh s TRP 109 Cb 0.18 -2.92 0.87 0.00 -0.81 0.00 0.00 33.47 30.80 2meh s TRP 109 CO 0.70 -0.52 1.99 0.28 -0.51 0.00 0.00 176.95 178.89 2meh h VAL 110 N 5.60 1.13 -0.17 4.03 2.07 -1.89 -1.67 116.25 125.35 2meh h VAL 110 Ca -0.28 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2meh h VAL 110 Cb 1.13 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2meh h VAL 110 CO 0.77 0.17 0.11 0.00 0.02 0.00 0.00 177.57 178.64 2meh h ALA 111 N 1.72 1.90 -0.55 1.67 0.00 -1.93 -1.93 119.26 120.15 2meh h ALA 111 Ca 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2meh h ALA 111 Cb 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2meh h ALA 111 CO 0.00 0.09 0.16 2.35 0.00 0.00 0.00 179.25 181.85 2meh h TRP 112 N 0.21 0.89 -0.64 0.00 7.01 -1.62 -0.76 115.95 121.04 2meh h TRP 112 Ca 0.06 -0.10 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 2meh h TRP 112 Cb -0.00 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 26.77 2meh h TRP 112 CO -0.00 0.77 0.32 0.00 -2.79 0.00 0.00 178.44 176.73 2meh h ARG 113 N 0.76 0.91 -0.12 2.65 3.08 -1.42 0.13 114.38 120.38 2meh h ARG 113 Ca 0.17 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 2meh h ARG 113 Cb 0.30 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 2meh h ARG 113 CO -0.00 0.72 -0.16 -0.91 -1.07 0.00 0.00 179.97 178.54 2meh h ASN 114 N 0.88 0.35 -0.00 7.04 2.35 -1.28 -3.36 115.58 121.55 2meh h ASN 114 Ca 0.22 -0.52 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 2meh h ASN 114 Cb 0.10 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2meh h ASN 114 CO -0.03 0.80 -0.44 -2.11 -1.65 0.00 0.00 177.43 174.00 2meh n ARG 115 N -4.56 2.64 0.00 0.81 0.00 -0.31 -4.85 116.66 110.40 2meh n ARG 115 Ca -0.07 -0.27 0.00 0.00 -0.00 0.00 0.00 57.85 57.51 2meh n ARG 115 Cb 0.38 -1.10 0.00 0.00 -0.00 0.00 0.00 32.46 31.74 2meh n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2meh n GLN 117 N -2.56 1.70 -1.31 0.00 7.27 -0.04 -1.90 117.38 120.55 2meh n GLN 117 Ca 0.00 0.61 -0.11 0.00 0.07 0.00 0.00 57.00 57.57 2meh n GLN 117 Cb 0.43 -2.23 -0.05 0.00 2.41 0.00 0.00 30.24 30.80 2meh n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2meh n ASN 118 N 2.31 -5.44 -4.81 1.69 5.03 -1.26 -4.97 115.26 107.82 2meh n ASN 118 Ca 0.14 0.26 -0.23 0.00 0.87 0.00 0.00 54.58 55.62 2meh n ASN 118 Cb 0.28 -3.87 -0.05 0.00 -1.02 0.00 0.00 39.78 35.12 2meh n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2meh s ARG 119 N -2.80 2.39 -0.70 3.52 0.52 -0.80 -5.05 118.95 116.03 2meh s ARG 119 Ca 0.00 -1.67 -0.24 0.00 -0.52 0.00 0.00 55.73 53.29 2meh s ARG 119 Cb 0.00 -2.19 0.06 0.00 0.52 0.00 0.00 34.95 33.34 2meh s ARG 119 CO 0.00 -0.14 1.10 0.34 0.02 0.00 0.00 175.30 176.62 2meh s ASP 120 N -4.01 6.18 0.00 0.23 -1.08 -1.26 -4.84 116.67 111.89 2meh s ASP 120 Ca 0.44 -0.81 0.22 0.00 -0.52 0.00 0.00 52.55 51.88 2meh s ASP 120 Cb 0.00 -2.48 0.54 0.00 -1.46 0.00 0.00 42.92 39.53 2meh s ASP 120 CO 0.25 -1.59 1.45 1.33 0.52 0.00 0.00 175.17 177.13 2meh n VAL 121 N 6.11 0.33 -0.18 1.11 0.24 -1.26 -4.45 118.33 120.23 2meh n VAL 121 Ca 0.00 -0.56 0.16 0.00 -2.04 0.00 0.00 64.34 61.90 2meh n VAL 121 Cb 0.47 0.78 0.51 0.00 -1.47 0.00 0.00 33.84 34.13 2meh n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2meh h ARG 122 N 3.59 0.40 -0.28 7.34 3.08 -1.92 -2.09 114.38 124.49 2meh h ARG 122 Ca 0.00 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.11 2meh h ARG 122 Cb 0.79 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2meh h ARG 122 CO 0.00 0.26 0.24 -0.56 -1.07 0.00 0.00 179.97 178.85 2meh h GLN 123 N 0.41 0.00 0.00 0.04 3.07 -1.97 -2.10 115.11 114.55 2meh h GLN 123 Ca 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 59.10 2meh h GLN 123 Cb 0.91 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.46 2meh h GLN 123 CO -0.13 0.00 -0.14 1.88 0.09 0.00 0.00 178.83 180.53 2meh h TYR 124 N 0.00 0.00 -0.01 0.06 0.05 -1.71 -3.22 116.97 112.14 2meh h TYR 124 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.91 2meh h TYR 124 Cb 0.62 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.36 2meh h TYR 124 CO 0.00 0.14 0.00 1.33 -1.05 0.00 0.00 178.16 178.58 2meh n VAL 125 N -3.39 0.12 -1.84 -2.88 0.24 -0.83 -4.84 118.33 104.92 2meh n VAL 125 Ca -0.00 -0.56 -0.42 0.00 -2.04 0.00 0.00 64.34 61.32 2meh n VAL 125 Cb 0.33 0.98 -0.03 0.00 -1.47 0.00 0.00 33.84 33.65 2meh n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2meh s GLN 126 N -0.27 4.17 0.00 7.34 -1.52 -0.95 -2.46 119.66 125.97 2meh s GLN 126 Ca 0.03 2.49 0.00 0.00 -1.95 0.00 0.00 55.36 55.92 2meh s GLN 126 Cb 0.02 -3.09 0.00 0.00 -0.22 0.00 0.00 33.01 29.72 2meh s GLN 126 CO 0.03 -0.63 0.00 0.41 -0.25 0.00 0.00 175.29 174.84 2meh n GLY 127 N 3.18 0.71 0.13 3.09 0.00 -1.26 -4.90 105.19 106.15 2meh n GLY 127 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 2meh n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2meh n GLY 129 N 1.40 0.18 0.00 0.00 0.00 -1.26 -4.83 105.19 100.68 2meh n GLY 129 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2meh n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65