#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1di3 s VAL 2 N 0.00 3.50 0.56 3.15 1.01 -1.26 -1.08 120.40 126.28 1di3 s VAL 2 Ca 0.00 -1.16 -0.18 0.00 0.00 0.00 0.00 61.98 60.64 1di3 s VAL 2 Cb 0.00 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 1di3 s VAL 2 CO 0.00 -0.10 1.09 -0.36 0.00 0.00 0.00 175.10 175.73 1di3 s PHE 3 N 1.36 2.79 0.41 5.22 0.08 -0.57 -5.00 117.98 122.27 1di3 s PHE 3 Ca -0.02 1.55 -0.12 0.00 0.12 0.00 0.00 56.93 58.46 1di3 s PHE 3 Cb -0.19 -3.17 -0.07 0.00 -0.57 0.00 0.00 43.02 39.02 1di3 s PHE 3 CO 0.01 -1.34 0.79 -1.21 -0.10 0.00 0.00 175.22 173.37 1di3 s GLU 4 N -3.54 3.83 0.07 0.44 2.02 -1.26 -4.88 118.70 115.39 1di3 s GLU 4 Ca 0.69 0.56 -0.22 0.00 0.02 0.00 0.00 54.97 56.03 1di3 s GLU 4 Cb -0.20 -2.36 -0.09 0.00 0.10 0.00 0.00 34.13 31.58 1di3 s GLU 4 CO 0.29 -0.04 1.35 -0.09 0.02 0.00 0.00 175.26 176.79 1di3 h ARG 5 N 1.35 -0.40 0.00 1.61 2.43 -1.96 -1.40 114.38 116.02 1di3 h ARG 5 Ca -0.47 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.69 1di3 h ARG 5 Cb 1.19 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1di3 h ARG 5 CO 0.64 -0.27 -0.17 0.00 -1.51 0.00 0.00 179.97 178.66 1di3 h GLU 7 N 0.00 0.33 -0.38 0.00 4.81 -1.84 -1.99 114.58 115.52 1di3 h GLU 7 Ca -0.00 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 1di3 h GLU 7 Cb 0.36 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1di3 h GLU 7 CO 0.02 0.24 -0.18 1.25 -0.73 0.00 0.00 179.01 179.61 1di3 h LEU 8 N 0.32 0.81 -0.41 1.64 5.85 -0.48 -2.42 115.31 120.61 1di3 h LEU 8 Ca 0.09 -0.41 0.09 0.00 0.84 0.00 0.00 57.88 58.49 1di3 h LEU 8 Cb -0.01 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 40.71 1di3 h LEU 8 CO -0.02 1.04 -0.14 0.00 -0.34 0.00 0.00 178.44 178.98 1di3 h ALA 9 N 0.80 0.21 -0.15 1.25 0.00 -0.85 -0.06 119.26 120.45 1di3 h ALA 9 Ca 0.08 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 1di3 h ALA 9 Cb 0.73 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1di3 h ALA 9 CO 0.06 -0.49 -0.39 0.00 0.00 0.00 0.00 179.25 178.42 1di3 h ARG 10 N -0.05 0.34 -0.48 0.00 3.08 -1.38 -2.11 114.38 113.78 1di3 h ARG 10 Ca 0.20 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 1di3 h ARG 10 Cb 0.36 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1di3 h ARG 10 CO -0.45 0.68 0.15 1.15 -1.07 0.00 0.00 179.97 180.43 1di3 h THR 11 N 0.28 1.23 -0.38 2.04 2.02 -0.79 -0.88 112.91 116.42 1di3 h THR 11 Ca 0.03 -0.75 -0.14 0.00 0.77 0.00 0.00 66.41 66.32 1di3 h THR 11 Cb 0.82 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1di3 h THR 11 CO 0.07 0.27 -0.31 -0.07 0.37 0.00 0.00 175.52 175.85 1di3 h LEU 12 N 0.65 0.88 -0.21 2.58 3.38 -0.96 -2.53 115.31 119.09 1di3 h LEU 12 Ca 0.16 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1di3 h LEU 12 Cb 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1di3 h LEU 12 CO -0.01 1.11 0.12 0.50 0.09 0.00 0.00 178.44 180.26 1di3 h LYS 13 N 0.71 0.29 0.00 1.13 3.64 -1.20 -1.92 116.57 119.21 1di3 h LYS 13 Ca 0.08 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1di3 h LYS 13 Cb 0.86 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1di3 h LYS 13 CO 0.08 0.25 -0.04 0.00 -2.27 0.00 0.00 179.45 177.46 1di3 h ARG 14 N 0.25 0.00 -0.32 1.90 3.08 -1.05 -1.18 114.38 117.06 1di3 h ARG 14 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1di3 h ARG 14 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1di3 h ARG 14 CO -0.01 0.04 0.00 1.28 -1.07 0.00 0.00 179.97 180.21 1di3 n LEU 15 N -3.65 1.95 -0.16 3.04 4.77 -0.78 -4.93 117.00 117.24 1di3 n LEU 15 Ca -0.02 -0.93 -0.02 0.00 -0.03 0.00 0.00 56.01 55.01 1di3 n LEU 15 Cb 0.14 -0.21 -0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1di3 n LEU 15 CO 0.27 0.46 -0.02 0.61 -1.33 0.00 0.00 177.39 177.39 1di3 n GLY 16 N 1.12 0.37 0.14 -0.72 0.00 -0.44 -4.98 105.19 100.69 1di3 n GLY 16 Ca 0.14 -0.89 0.12 0.00 0.00 0.00 0.00 46.02 45.39 1di3 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1di3 h MET 17 N 0.00 0.00 -6.13 1.61 2.86 -1.58 -3.41 114.93 108.28 1di3 h MET 17 Ca -0.04 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.06 1di3 h MET 17 Cb 0.71 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.34 1di3 h MET 17 CO 0.05 0.00 1.32 0.34 1.06 0.00 0.00 176.91 179.68 1di3 s ASP 18 N -5.55 5.58 0.00 1.22 2.15 -1.26 -2.18 116.67 116.63 1di3 s ASP 18 Ca 0.02 0.93 0.00 0.00 0.43 0.00 0.00 52.55 53.92 1di3 s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1di3 s ASP 18 CO 0.76 -2.02 0.00 0.61 -0.17 0.00 0.00 175.17 174.34 1di3 n GLY 19 N 5.55 0.62 3.67 2.66 0.00 0.18 -4.87 105.19 113.01 1di3 n GLY 19 Ca 0.23 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1di3 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1di3 s TYR 20 N -2.00 1.87 -1.41 1.61 5.04 -0.93 -1.38 117.35 120.15 1di3 s TYR 20 Ca 0.00 -0.06 -0.12 0.00 -2.44 0.00 0.00 57.07 54.45 1di3 s TYR 20 Cb 0.00 -4.11 0.09 0.00 0.35 0.00 0.00 41.96 38.29 1di3 s TYR 20 CO 0.00 -4.71 0.63 0.54 -1.34 0.00 0.00 175.55 170.66 1di3 n ARG 21 N 6.59 -3.72 -1.00 4.97 5.12 -1.26 -1.10 116.66 126.25 1di3 n ARG 21 Ca 0.18 0.49 0.00 0.00 -1.93 0.00 0.00 57.85 56.59 1di3 n ARG 21 Cb 0.41 -5.23 0.00 0.00 -1.16 0.00 0.00 32.46 26.47 1di3 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1di3 n GLY 22 N -1.30 0.57 3.56 -0.13 0.00 -0.48 -5.00 105.19 102.41 1di3 n GLY 22 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1di3 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1di3 s ILE 23 N -2.29 5.20 0.77 -0.61 1.01 -0.26 -4.88 121.20 120.14 1di3 s ILE 23 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.67 1di3 s ILE 23 Cb 0.00 -3.74 0.06 0.00 0.01 0.00 0.00 42.46 38.79 1di3 s ILE 23 CO 0.00 0.02 1.13 -0.94 0.00 0.00 0.00 174.94 175.15 1di3 s SER 24 N 1.72 4.23 0.23 3.58 1.04 -1.26 0.51 113.70 123.75 1di3 s SER 24 Ca 0.11 2.05 -0.07 0.00 0.48 0.00 0.00 55.95 58.53 1di3 s SER 24 Cb -0.16 -2.55 0.30 0.00 0.10 0.00 0.00 66.02 63.71 1di3 s SER 24 CO 0.11 -2.23 1.83 0.25 0.98 0.00 0.00 173.24 174.18 1di3 h LEU 25 N -0.86 0.70 -1.69 2.42 5.85 -1.90 -1.68 115.31 118.16 1di3 h LEU 25 Ca -0.45 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.36 1di3 h LEU 25 Cb 1.26 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 1di3 h LEU 25 CO 0.49 0.44 0.33 0.00 -0.34 0.00 0.00 178.44 179.36 1di3 h ALA 26 N 1.39 1.97 -0.30 1.25 0.00 -1.91 0.09 119.26 121.75 1di3 h ALA 26 Ca 0.35 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.06 1di3 h ALA 26 Cb 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1di3 h ALA 26 CO -0.19 -0.06 -0.52 -0.91 0.00 0.00 0.00 179.25 177.57 1di3 h ASN 27 N 0.37 0.97 -0.63 0.00 2.35 -1.63 -1.57 115.58 115.44 1di3 h ASN 27 Ca 0.21 -0.52 -0.08 0.00 -0.55 0.00 0.00 56.30 55.36 1di3 h ASN 27 Cb 0.37 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1di3 h ASN 27 CO -0.05 1.31 0.09 -0.50 -1.65 0.00 0.00 177.43 176.63 1di3 h TRP 28 N 0.67 1.12 -0.17 1.19 4.06 -1.09 -1.12 115.95 120.61 1di3 h TRP 28 Ca 0.02 -0.16 -0.00 0.00 2.06 0.00 0.00 58.89 60.80 1di3 h TRP 28 Cb 1.13 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.97 1di3 h TRP 28 CO 0.07 0.96 0.09 0.52 -3.56 0.00 0.00 178.44 176.52 1di3 h MET 29 N 0.96 0.24 -0.97 0.49 2.86 -0.95 -1.90 114.93 115.67 1di3 h MET 29 Ca 0.19 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.82 1di3 h MET 29 Cb 0.45 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.01 1di3 h MET 29 CO 0.01 0.26 0.64 0.00 1.06 0.00 0.00 176.91 178.88 1di3 h LEU 31 N 1.29 0.20 -0.94 0.00 5.85 -0.97 -2.19 115.31 118.55 1di3 h LEU 31 Ca 0.37 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 1di3 h LEU 31 Cb -0.09 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1di3 h LEU 31 CO -0.10 0.25 0.12 0.00 -0.34 0.00 0.00 178.44 178.38 1di3 h ALA 32 N 0.95 1.13 0.20 1.25 0.00 -1.03 0.11 119.26 121.88 1di3 h ALA 32 Ca 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1di3 h ALA 32 Cb 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1di3 h ALA 32 CO -0.01 0.58 -0.10 -0.22 0.00 0.00 0.00 179.25 179.51 1di3 h LYS 33 N 0.86 -0.26 0.00 0.00 1.63 -0.99 -0.91 116.57 116.91 1di3 h LYS 33 Ca 0.18 0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.92 1di3 h LYS 33 Cb 0.34 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1di3 h LYS 33 CO 0.00 -0.17 -0.40 -1.49 -3.45 0.00 0.00 179.45 173.94 1di3 h TRP 34 N -0.28 0.00 0.01 1.91 4.06 -1.27 -0.67 115.95 119.71 1di3 h TRP 34 Ca -0.03 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.87 1di3 h TRP 34 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 1di3 h TRP 34 CO -0.06 0.40 -0.22 0.93 -3.56 0.00 0.00 178.44 175.93 1di3 h GLU 35 N 0.00 0.13 0.00 0.49 4.39 -0.91 -3.43 114.58 115.25 1di3 h GLU 35 Ca -0.00 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1di3 h GLU 35 Cb 1.22 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1di3 h GLU 35 CO 0.05 0.95 0.00 -1.13 -1.16 0.00 0.00 179.01 177.72 1di3 n SER 36 N -4.52 0.19 -1.08 1.42 3.41 -0.40 -4.84 113.62 107.80 1di3 n SER 36 Ca -0.10 -0.60 -0.10 0.00 -0.26 0.00 0.00 58.87 57.81 1di3 n SER 36 Cb 0.51 0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 64.63 1di3 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1di3 n GLY 37 N 0.18 0.31 2.27 5.00 0.00 -0.26 -2.50 105.19 110.20 1di3 n GLY 37 Ca 0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 1di3 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1di3 n TYR 38 N -3.62 -0.37 -3.59 1.61 0.53 -1.17 -4.78 117.16 105.78 1di3 n TYR 38 Ca -0.12 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.37 1di3 n TYR 38 Cb 0.52 -2.54 -0.11 0.00 -1.03 0.00 0.00 39.34 36.18 1di3 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1di3 s ASN 39 N -2.61 5.81 0.57 7.72 2.47 -1.04 -1.51 114.94 126.35 1di3 s ASN 39 Ca 0.00 -0.45 0.36 0.00 0.42 0.00 0.00 52.86 53.18 1di3 s ASN 39 Cb 0.00 -2.07 1.55 0.00 -1.45 0.00 0.00 41.25 39.28 1di3 s ASN 39 CO 0.00 -0.21 2.05 0.71 -3.72 0.00 0.00 177.10 175.93 1di3 h THR 40 N 5.57 0.00 -0.37 -5.21 1.35 -1.42 -3.11 112.91 109.72 1di3 h THR 40 Ca -0.32 -0.43 -0.07 0.00 -0.55 0.00 0.00 66.41 65.04 1di3 h THR 40 Cb 1.15 1.43 -0.04 0.00 -1.73 0.00 0.00 68.15 68.96 1di3 h THR 40 CO 0.62 0.00 0.03 -2.11 -0.25 0.00 0.00 175.52 173.82 1di3 n ARG 41 N -3.09 2.94 -2.36 4.72 1.85 -1.26 -4.08 116.66 115.37 1di3 n ARG 41 Ca -0.00 -2.97 -0.39 0.00 -1.00 0.00 0.00 57.85 53.49 1di3 n ARG 41 Cb 0.27 -1.92 -0.03 0.00 -1.05 0.00 0.00 32.46 29.72 1di3 n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1di3 s ALA 42 N -2.94 3.29 0.01 2.89 0.00 -1.18 -4.85 121.76 118.98 1di3 s ALA 42 Ca 0.45 0.95 -0.10 0.00 0.00 0.00 0.00 51.96 53.27 1di3 s ALA 42 Cb 0.37 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 20.14 1di3 s ALA 42 CO 0.08 -0.38 0.21 0.95 0.00 0.00 0.00 175.76 176.62 1di3 s THR 43 N -1.31 0.08 -0.06 0.00 -4.23 -1.26 -1.31 115.64 107.55 1di3 s THR 43 Ca 0.51 -0.67 -0.03 0.00 -1.18 0.00 0.00 61.69 60.33 1di3 s THR 43 Cb -0.31 -0.60 0.04 0.00 1.34 0.00 0.00 72.50 72.97 1di3 s THR 43 CO 0.40 -0.37 0.11 0.21 -0.54 0.00 0.00 174.62 174.43 1di3 s ASN 44 N -1.53 0.99 0.01 3.99 2.47 -0.74 -4.96 114.94 115.17 1di3 s ASN 44 Ca -0.12 0.18 -0.19 0.00 0.42 0.00 0.00 52.86 53.14 1di3 s ASN 44 Cb -0.05 0.05 -0.06 0.00 -1.45 0.00 0.00 41.25 39.74 1di3 s ASN 44 CO 0.01 -0.25 0.56 -0.47 -3.72 0.00 0.00 177.10 173.23 1di3 s TYR 45 N 2.23 3.71 -0.47 0.43 6.14 -1.26 -1.12 117.35 127.00 1di3 s TYR 45 Ca 0.04 1.17 -0.00 0.00 0.64 0.00 0.00 57.07 58.92 1di3 s TYR 45 Cb -0.12 -2.55 0.12 0.00 0.42 0.00 0.00 41.96 39.84 1di3 s TYR 45 CO -0.04 0.43 0.24 -0.80 0.64 0.00 0.00 175.55 176.01 1di3 s ASN 46 N -0.44 4.98 0.40 4.32 0.01 -0.47 -4.97 114.94 118.77 1di3 s ASN 46 Ca 0.29 -2.45 0.14 0.00 -0.71 0.00 0.00 52.86 50.14 1di3 s ASN 46 Cb -0.18 -1.76 0.98 0.00 0.41 0.00 0.00 41.25 40.70 1di3 s ASN 46 CO 0.17 -0.41 1.89 0.00 -1.51 0.00 0.00 177.10 177.24 1di3 h ALA 47 N 7.42 2.04 -0.16 0.60 0.00 -1.96 -1.49 119.26 125.72 1di3 h ALA 47 Ca -0.07 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1di3 h ALA 47 Cb 0.99 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 1di3 h ALA 47 CO 0.66 -0.26 -0.40 0.78 0.00 0.00 0.00 179.25 180.03 1di3 h GLY 48 N 0.50 -0.64 -1.31 0.00 0.00 -1.95 -3.11 103.07 96.57 1di3 h GLY 48 Ca 0.41 0.50 0.00 0.00 0.00 0.00 0.00 47.33 48.24 1di3 h GLY 48 CO -0.15 -0.22 0.00 2.09 0.00 0.00 0.00 176.54 178.26 1di3 n ASP 49 N -5.43 2.90 -0.74 0.19 5.75 -1.17 -4.97 116.55 113.08 1di3 n ASP 49 Ca -0.04 -1.96 -0.10 0.00 -0.01 0.00 0.00 54.79 52.68 1di3 n ASP 49 Cb 0.36 -0.23 -0.04 0.00 -1.03 0.00 0.00 41.12 40.18 1di3 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1di3 n GLY 50 N 0.57 1.10 3.98 6.12 0.00 -0.57 -4.45 105.19 111.94 1di3 n GLY 50 Ca 0.12 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 1di3 n GLY 50 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1di3 s SER 51 N -2.73 5.85 0.00 1.61 1.04 -1.18 -4.21 113.70 114.08 1di3 s SER 51 Ca 0.00 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1di3 s SER 51 Cb 0.00 -1.19 -0.00 0.00 0.10 0.00 0.00 66.02 64.93 1di3 s SER 51 CO 0.00 -0.59 -0.02 -0.89 0.98 0.00 0.00 173.24 172.73 1di3 s THR 52 N -2.32 0.13 -0.22 2.02 2.01 -1.26 -1.37 115.64 114.63 1di3 s THR 52 Ca 0.48 -0.17 -0.15 0.00 0.31 0.00 0.00 61.69 62.17 1di3 s THR 52 Cb -0.10 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 1di3 s THR 52 CO 0.33 -0.02 0.34 -1.81 -0.69 0.00 0.00 174.62 172.77 1di3 s ASP 53 N -0.20 6.33 -0.07 3.53 1.01 -0.28 -0.84 116.67 126.16 1di3 s ASP 53 Ca -0.01 0.38 0.02 0.00 0.71 0.00 0.00 52.55 53.65 1di3 s ASP 53 Cb -0.02 -2.20 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 1di3 s ASP 53 CO -0.00 -0.07 -0.11 -0.31 0.21 0.00 0.00 175.17 174.89 1di3 s TYR 54 N 1.40 2.80 0.00 4.23 2.02 0.58 -1.78 117.35 126.60 1di3 s TYR 54 Ca 0.16 -0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.72 1di3 s TYR 54 Cb -0.15 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 1di3 s TYR 54 CO 0.08 0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.66 1di3 n GLY 55 N 2.41 -1.35 0.23 0.71 0.00 -0.42 -1.70 105.19 105.07 1di3 n GLY 55 Ca -0.18 -1.27 0.07 0.00 0.00 0.00 0.00 46.02 44.64 1di3 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1di3 h ILE 56 N 0.00 1.01 -0.35 -0.61 2.10 -1.70 -2.17 117.51 115.79 1di3 h ILE 56 Ca 0.00 -0.62 0.00 0.00 1.08 0.00 0.00 64.86 65.32 1di3 h ILE 56 Cb 0.00 1.35 0.00 0.00 -1.09 0.00 0.00 36.82 37.08 1di3 h ILE 56 CO 0.00 0.17 0.00 0.49 -1.08 0.00 0.00 178.15 177.73 1di3 n PHE 57 N -4.17 0.45 -3.95 2.19 0.99 -1.26 -3.93 117.46 107.79 1di3 n PHE 57 Ca -0.02 -0.32 -0.33 0.00 -0.00 0.00 0.00 57.45 56.78 1di3 n PHE 57 Cb 0.25 -0.01 -0.00 0.00 -1.00 0.00 0.00 39.48 38.71 1di3 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1di3 n GLN 58 N 1.01 -1.71 -2.56 -1.08 1.13 -0.82 -4.91 117.38 108.44 1di3 n GLN 58 Ca 0.15 0.30 -0.42 0.00 -1.94 0.00 0.00 57.00 55.09 1di3 n GLN 58 Cb 0.48 -3.85 -0.03 0.00 0.11 0.00 0.00 30.24 26.95 1di3 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1di3 s ILE 59 N -3.79 4.37 0.02 5.09 1.01 -0.69 -4.38 121.20 122.84 1di3 s ILE 59 Ca 0.24 1.74 -0.29 0.00 0.00 0.00 0.00 60.65 62.34 1di3 s ILE 59 Cb -0.11 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1di3 s ILE 59 CO 0.91 0.16 0.92 0.21 0.00 0.00 0.00 174.94 177.15 1di3 s ASN 60 N 0.87 7.35 0.37 3.58 3.84 -1.26 -0.31 114.94 129.38 1di3 s ASN 60 Ca 0.55 1.62 0.27 0.00 0.21 0.00 0.00 52.86 55.51 1di3 s ASN 60 Cb -0.26 -2.55 1.27 0.00 -0.55 0.00 0.00 41.25 39.16 1di3 s ASN 60 CO 0.29 -0.17 1.82 0.77 -2.79 0.00 0.00 177.10 177.02 1di3 h SER 61 N 6.38 0.00 0.39 -4.21 4.64 -1.24 -2.36 113.55 117.15 1di3 h SER 61 Ca -0.42 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.85 1di3 h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1di3 h SER 61 CO 0.74 0.00 -0.24 -0.09 -0.87 0.00 0.00 176.83 176.37 1di3 h ARG 62 N 0.00 0.00 0.00 4.77 2.43 -1.84 -3.39 114.38 116.34 1di3 h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1di3 h ARG 62 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1di3 h ARG 62 CO 0.00 0.24 -0.73 0.66 -1.51 0.00 0.00 179.97 178.63 1di3 n TYR 63 N -3.90 0.00 -0.07 2.20 4.02 -1.09 -0.55 117.16 117.76 1di3 n TYR 63 Ca -0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.81 1di3 n TYR 63 Cb 0.32 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.48 1di3 n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1di3 n TRP 64 N -1.86 0.12 -3.94 -0.72 7.02 -0.91 -0.44 117.44 116.71 1di3 n TRP 64 Ca 0.00 0.04 -0.09 0.00 -1.02 0.00 0.00 57.50 56.43 1di3 n TRP 64 Cb 0.36 -0.93 -0.09 0.00 -2.42 0.00 0.00 31.31 28.23 1di3 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1di3 s ASN 66 N -2.39 6.25 0.00 0.00 2.47 -0.29 -4.61 114.94 116.37 1di3 s ASN 66 Ca -0.01 0.28 0.00 0.00 0.42 0.00 0.00 52.86 53.54 1di3 s ASN 66 Cb 0.01 -2.16 0.00 0.00 -1.45 0.00 0.00 41.25 37.65 1di3 s ASN 66 CO -0.07 -0.01 0.52 -0.90 -3.72 0.00 0.00 177.10 172.92 1di3 n ASP 67 N 4.45 1.03 0.00 -4.21 5.68 -1.26 -1.08 116.55 121.16 1di3 n ASP 67 Ca -0.12 -1.08 0.00 0.00 -0.50 0.00 0.00 54.79 53.09 1di3 n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1di3 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1di3 n GLY 68 N -0.04 1.86 0.40 6.12 0.00 -1.26 -4.74 105.19 107.52 1di3 n GLY 68 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1di3 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1di3 n LYS 69 N -1.86 0.74 -3.14 1.61 2.85 -1.26 -4.94 118.16 112.16 1di3 n LYS 69 Ca 0.00 -1.21 -0.42 0.00 -1.05 0.00 0.00 58.31 55.63 1di3 n LYS 69 Cb 0.00 -1.18 -0.07 0.00 -0.65 0.00 0.00 35.03 33.13 1di3 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1di3 s THR 70 N -0.81 4.91 0.05 0.58 2.01 -1.26 -4.93 115.64 116.19 1di3 s THR 70 Ca 0.12 0.43 -0.35 0.00 0.31 0.00 0.00 61.69 62.20 1di3 s THR 70 Cb 0.08 -4.08 -0.14 0.00 0.01 0.00 0.00 72.50 68.37 1di3 s THR 70 CO 0.12 -0.35 1.60 -2.65 -0.69 0.00 0.00 174.62 172.65 1di3 n PRO 71 N 6.02 1.82 -2.68 4.92 -0.02 -1.26 -2.74 135.00 141.06 1di3 n PRO 71 Ca -0.02 0.66 -0.15 0.00 -2.02 0.00 0.00 63.50 61.97 1di3 n PRO 71 Cb 0.48 -2.41 -0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1di3 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1di3 n GLY 72 N 3.49 -0.50 3.92 -1.23 0.00 -1.26 -4.97 105.19 104.65 1di3 n GLY 72 Ca 0.19 0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1di3 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1di3 s ALA 73 N -2.70 3.09 0.44 4.61 0.00 -1.11 -5.07 121.76 121.02 1di3 s ALA 73 Ca 0.10 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1di3 s ALA 73 Cb -0.05 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.37 1di3 s ALA 73 CO 0.13 -1.30 0.08 0.14 0.00 0.00 0.00 175.76 174.81 1di3 s VAL 74 N -3.27 0.88 -0.45 0.00 -7.23 0.28 -5.01 120.40 105.61 1di3 s VAL 74 Ca 0.60 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.83 1di3 s VAL 74 Cb -0.11 -2.33 0.23 0.00 0.56 0.00 0.00 36.38 34.73 1di3 s VAL 74 CO 0.46 0.00 0.51 -3.20 -0.31 0.00 0.00 175.10 172.56 1di3 n ASN 75 N -1.25 0.70 0.13 4.85 5.15 -1.22 -3.97 115.26 119.64 1di3 n ASN 75 Ca -0.10 -2.76 0.04 0.00 -0.60 0.00 0.00 54.58 51.16 1di3 n ASN 75 Cb 0.66 -0.63 0.47 0.00 -0.53 0.00 0.00 39.78 39.75 1di3 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1di3 h ALA 76 N 4.48 1.70 -0.00 5.20 0.00 -0.80 -1.87 119.26 127.96 1di3 h ALA 76 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1di3 h ALA 76 Cb 0.85 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1di3 h ALA 76 CO 0.51 0.23 -0.27 0.00 0.00 0.00 0.00 179.25 179.72 1di3 n HIS 78 N -1.35 -2.09 -4.00 0.00 -0.00 -0.70 -4.98 115.22 102.11 1di3 n HIS 78 Ca 0.08 0.80 -0.09 0.00 -0.00 0.00 0.00 57.72 58.51 1di3 n HIS 78 Cb 0.33 -4.32 -0.11 0.00 -0.00 0.00 0.00 29.99 25.89 1di3 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1di3 s LEU 79 N -6.30 2.23 0.32 2.41 1.43 -1.26 -5.07 118.68 112.45 1di3 s LEU 79 Ca 0.18 -0.60 -0.27 0.00 -1.03 0.00 0.00 54.13 52.41 1di3 s LEU 79 Cb -0.04 0.18 -0.09 0.00 0.03 0.00 0.00 46.19 46.27 1di3 s LEU 79 CO 0.79 -0.38 1.03 -0.55 0.23 0.00 0.00 176.35 177.46 1di3 s SER 80 N -1.81 7.17 0.42 2.29 0.15 -1.26 -1.14 113.70 119.52 1di3 s SER 80 Ca -0.10 2.05 0.28 0.00 0.70 0.00 0.00 55.95 58.88 1di3 s SER 80 Cb -0.05 -2.60 1.53 0.00 -1.71 0.00 0.00 66.02 63.18 1di3 s SER 80 CO -0.03 -0.20 1.87 0.00 1.20 0.00 0.00 173.24 176.08 1di3 h SER 82 N 0.00 0.55 0.03 0.00 0.87 -1.90 -1.22 113.55 111.87 1di3 h SER 82 Ca 0.00 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1di3 h SER 82 Cb 0.01 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1di3 h SER 82 CO 0.00 0.53 -0.00 0.00 -0.53 0.00 0.00 176.83 176.83 1di3 h ALA 83 N 1.55 1.26 -0.28 6.23 0.00 -1.51 -0.26 119.26 126.25 1di3 h ALA 83 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1di3 h ALA 83 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1di3 h ALA 83 CO -0.01 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1di3 n LEU 84 N -3.46 1.98 -0.11 0.00 4.77 -0.46 -3.64 117.00 116.07 1di3 n LEU 84 Ca -0.03 -0.91 0.02 0.00 -0.03 0.00 0.00 56.01 55.07 1di3 n LEU 84 Cb 0.08 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1di3 n LEU 84 CO 0.24 0.45 0.53 0.18 -1.33 0.00 0.00 177.39 177.46 1di3 n LEU 85 N 0.55 2.21 -4.83 2.23 4.77 -0.11 -3.21 117.00 118.61 1di3 n LEU 85 Ca 0.15 -2.17 -0.32 0.00 -0.03 0.00 0.00 56.01 53.64 1di3 n LEU 85 Cb 0.35 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1di3 n LEU 85 CO 0.11 0.56 0.70 -1.10 -1.33 0.00 0.00 177.39 176.34 1di3 s GLN 86 N -1.29 3.60 0.25 3.23 -0.21 -1.24 -4.58 119.66 119.43 1di3 s GLN 86 Ca 0.08 1.02 0.06 0.00 0.02 0.00 0.00 55.36 56.54 1di3 s GLN 86 Cb 0.06 -2.08 0.31 0.00 1.00 0.00 0.00 33.01 32.30 1di3 s GLN 86 CO 0.03 -0.57 1.60 -0.44 -2.12 0.00 0.00 175.29 173.79 1di3 h ASP 87 N 0.48 0.22 -3.23 5.90 5.19 -1.93 -3.40 116.42 119.65 1di3 h ASP 87 Ca -0.46 -0.12 -0.58 0.00 -0.62 0.00 0.00 57.03 55.25 1di3 h ASP 87 Cb 1.20 -0.06 -0.06 0.00 0.18 0.00 0.00 39.33 40.58 1di3 h ASP 87 CO 0.60 0.75 0.56 0.21 -3.12 0.00 0.00 179.24 178.23 1di3 s ASN 88 N -6.89 7.04 -0.01 6.45 3.84 -1.26 -4.91 114.94 119.21 1di3 s ASN 88 Ca -0.04 1.29 0.12 0.00 0.21 0.00 0.00 52.86 54.44 1di3 s ASN 88 Cb 0.12 -2.50 0.35 0.00 -0.55 0.00 0.00 41.25 38.68 1di3 s ASN 88 CO 0.79 -0.51 1.28 2.30 -2.79 0.00 0.00 177.10 178.17 1di3 n ILE 89 N 4.95 0.57 -0.17 -5.21 -5.35 -1.26 -4.49 119.36 108.39 1di3 n ILE 89 Ca 0.08 -0.54 -0.03 0.00 -0.27 0.00 0.00 62.75 61.99 1di3 n ILE 89 Cb 0.48 0.23 0.06 0.00 -1.74 0.00 0.00 39.64 38.67 1di3 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1di3 h ALA 90 N 3.69 0.65 -0.55 -1.28 0.00 -1.94 0.51 119.26 120.34 1di3 h ALA 90 Ca 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1di3 h ALA 90 Cb 0.56 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1di3 h ALA 90 CO 0.01 -0.15 -0.05 -0.44 0.00 0.00 0.00 179.25 178.62 1di3 h ASP 91 N 0.43 0.99 -0.78 0.00 3.45 -1.86 -1.41 116.42 117.25 1di3 h ASP 91 Ca 0.24 -0.33 -0.03 0.00 0.43 0.00 0.00 57.03 57.34 1di3 h ASP 91 Cb 0.21 -0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 38.67 1di3 h ASP 91 CO -0.21 1.08 0.37 0.00 -1.57 0.00 0.00 179.24 178.92 1di3 h ALA 92 N 0.94 1.17 -0.53 3.45 0.00 -1.63 -1.49 119.26 121.17 1di3 h ALA 92 Ca 0.15 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1di3 h ALA 92 Cb 0.61 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1di3 h ALA 92 CO 0.04 0.63 0.04 0.28 0.00 0.00 0.00 179.25 180.24 1di3 h VAL 93 N 1.12 1.26 -0.74 0.00 2.07 -0.74 0.34 116.25 119.56 1di3 h VAL 93 Ca 0.27 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1di3 h VAL 93 Cb 0.12 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1di3 h VAL 93 CO -0.03 0.37 0.47 0.00 0.02 0.00 0.00 177.57 178.39 1di3 h ALA 94 N 0.96 1.42 -0.11 1.67 0.00 -0.84 -0.54 119.26 121.83 1di3 h ALA 94 Ca 0.15 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1di3 h ALA 94 Cb 0.47 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1di3 h ALA 94 CO 0.02 0.51 -0.78 0.00 0.00 0.00 0.00 179.25 179.00 1di3 h ALA 96 N 0.69 1.19 -0.49 0.00 0.00 -0.45 -0.34 119.26 119.85 1di3 h ALA 96 Ca -0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1di3 h ALA 96 Cb 1.40 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1di3 h ALA 96 CO 0.15 0.54 0.14 0.87 0.00 0.00 0.00 179.25 180.95 1di3 h LYS 97 N 0.73 0.77 -0.88 0.00 1.57 -1.04 -2.07 116.57 115.65 1di3 h LYS 97 Ca 0.15 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1di3 h LYS 97 Cb 0.37 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1di3 h LYS 97 CO 0.01 0.74 0.50 -0.09 -0.57 0.00 0.00 179.45 180.03 1di3 h ARG 98 N 0.67 1.22 -0.26 3.15 9.65 -0.72 -2.69 114.38 125.40 1di3 h ARG 98 Ca 0.16 -0.13 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1di3 h ARG 98 Cb 0.29 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 1di3 h ARG 98 CO -0.00 0.88 0.16 0.28 2.80 0.00 0.00 179.97 184.09 1di3 h VAL 99 N 1.23 1.09 0.00 0.20 2.07 -0.83 -2.52 116.25 117.49 1di3 h VAL 99 Ca 0.31 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1di3 h VAL 99 Cb 0.01 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1di3 h VAL 99 CO -0.05 0.09 0.00 1.33 0.02 0.00 0.00 177.57 178.96 1di3 n VAL 100 N -4.88 0.73 1.66 2.57 0.24 -0.80 -2.31 118.33 115.54 1di3 n VAL 100 Ca -0.02 0.18 0.15 0.00 -2.04 0.00 0.00 64.34 62.61 1di3 n VAL 100 Cb 0.05 -0.88 0.82 0.00 -1.47 0.00 0.00 33.84 32.36 1di3 n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1di3 n ARG 101 N -1.47 0.72 -2.32 7.34 1.74 -0.95 -4.03 116.66 117.69 1di3 n ARG 101 Ca 0.05 0.01 -0.27 0.00 -0.77 0.00 0.00 57.85 56.87 1di3 n ARG 101 Cb 0.20 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.18 1di3 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1di3 s ASP 102 N -2.24 5.50 0.27 0.55 -0.00 -0.98 -4.99 116.67 114.79 1di3 s ASP 102 Ca 0.38 0.74 -0.07 0.00 -0.00 0.00 0.00 52.55 53.60 1di3 s ASP 102 Cb 0.20 -1.68 0.48 0.00 -0.00 0.00 0.00 42.92 41.92 1di3 s ASP 102 CO 0.39 -1.15 1.58 1.55 -0.00 0.00 0.00 175.17 177.54 1di3 h PRO 103 N -0.27 0.01 0.00 8.23 0.13 -1.88 -2.15 132.00 136.07 1di3 h PRO 103 Ca -0.45 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1di3 h PRO 103 Cb 1.26 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1di3 h PRO 103 CO 0.61 0.01 -0.16 1.96 -0.23 0.00 0.00 178.00 180.19 1di3 h GLN 104 N 0.01 0.00 0.00 0.86 4.20 -1.91 -3.49 115.11 114.79 1di3 h GLN 104 Ca 0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.18 1di3 h GLN 104 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1di3 h GLN 104 CO -0.91 0.16 0.00 0.41 -0.67 0.00 0.00 178.83 177.82 1di3 n GLY 105 N 0.04 2.24 0.25 3.46 0.00 -0.81 -2.39 105.19 107.98 1di3 n GLY 105 Ca 0.00 -0.53 0.17 0.00 0.00 0.00 0.00 46.02 45.66 1di3 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1di3 h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.92 -1.71 117.51 119.36 1di3 h ILE 106 Ca 0.00 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1di3 h ILE 106 Cb 0.00 0.91 0.00 0.00 0.47 0.00 0.00 36.82 38.20 1di3 h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1di3 n ARG 107 N -2.71 0.29 -0.01 2.19 1.74 -1.00 -3.13 116.66 114.02 1di3 n ARG 107 Ca -0.01 0.11 0.10 0.00 -0.77 0.00 0.00 57.85 57.27 1di3 n ARG 107 Cb 0.12 -1.50 0.51 0.00 -1.02 0.00 0.00 32.46 30.57 1di3 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1di3 h ALA 108 N 2.87 1.96 -2.71 7.54 0.00 -1.47 -3.40 119.26 124.05 1di3 h ALA 108 Ca 0.00 -0.02 -0.62 0.00 0.00 0.00 0.00 54.91 54.27 1di3 h ALA 108 Cb 0.15 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 17.71 1di3 h ALA 108 CO 0.00 -0.05 -0.21 -1.58 0.00 0.00 0.00 179.25 177.42 1di3 s TRP 109 N -5.35 3.25 0.45 0.00 0.51 -1.18 -4.97 118.94 111.65 1di3 s TRP 109 Ca -0.07 0.45 0.12 0.00 -2.12 0.00 0.00 56.10 54.48 1di3 s TRP 109 Cb 0.19 -2.59 1.01 0.00 -0.81 0.00 0.00 33.47 31.27 1di3 s TRP 109 CO 0.73 -0.23 2.04 0.28 -0.51 0.00 0.00 176.95 179.27 1di3 h VAL 110 N 5.37 1.09 -0.32 4.03 2.07 -1.91 -1.46 116.25 125.13 1di3 h VAL 110 Ca -0.31 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 1di3 h VAL 110 Cb 1.16 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1di3 h VAL 110 CO 0.66 0.12 -0.03 0.00 0.02 0.00 0.00 177.57 178.33 1di3 h ALA 111 N 1.82 1.36 -0.21 1.67 0.00 -1.95 -1.55 119.26 120.40 1di3 h ALA 111 Ca 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1di3 h ALA 111 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1di3 h ALA 111 CO 0.00 0.44 0.05 2.35 0.00 0.00 0.00 179.25 182.09 1di3 h TRP 112 N 0.48 0.36 -0.45 0.00 7.01 -1.59 0.91 115.95 122.67 1di3 h TRP 112 Ca 0.10 -0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.10 1di3 h TRP 112 Cb 0.36 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.29 1di3 h TRP 112 CO 0.01 0.46 0.30 0.00 -2.79 0.00 0.00 178.44 176.42 1di3 h ARG 113 N 0.16 0.42 0.13 2.65 3.08 -1.27 0.78 114.38 120.34 1di3 h ARG 113 Ca 0.07 -0.03 -0.32 0.00 0.07 0.00 0.00 59.98 59.77 1di3 h ARG 113 Cb 0.28 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1di3 h ARG 113 CO 0.00 0.28 -1.62 -0.91 -1.07 0.00 0.00 179.97 176.65 1di3 h ASN 114 N 0.43 0.43 -0.01 7.04 2.35 -0.91 -3.37 115.58 121.54 1di3 h ASN 114 Ca 0.19 -0.64 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1di3 h ASN 114 Cb 0.20 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1di3 h ASN 114 CO -0.05 1.54 -0.14 0.54 -1.65 0.00 0.00 177.43 177.67 1di3 n ARG 115 N -3.47 2.21 0.00 0.81 5.12 0.28 -4.85 116.66 116.77 1di3 n ARG 115 Ca -0.19 -0.51 0.00 0.00 -1.93 0.00 0.00 57.85 55.21 1di3 n ARG 115 Cb 1.05 -0.99 0.00 0.00 -1.16 0.00 0.00 32.46 31.36 1di3 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1di3 s GLN 117 N -1.73 3.96 -1.29 0.00 0.74 -0.57 -3.30 119.66 117.45 1di3 s GLN 117 Ca 0.00 2.39 -0.06 0.00 0.05 0.00 0.00 55.36 57.74 1di3 s GLN 117 Cb 0.00 -2.82 -0.00 0.00 1.10 0.00 0.00 33.01 31.28 1di3 s GLN 117 CO 0.00 -0.59 0.61 0.09 -0.55 0.00 0.00 175.29 174.85 1di3 n ASN 118 N 0.19 -2.10 -3.59 6.67 5.03 -1.26 -4.96 115.26 115.25 1di3 n ASN 118 Ca 0.03 -0.96 -0.12 0.00 0.87 0.00 0.00 54.58 54.40 1di3 n ASN 118 Cb 0.41 -3.45 -0.05 0.00 -1.02 0.00 0.00 39.78 35.67 1di3 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1di3 s ARG 119 N -6.20 1.05 -0.43 3.52 0.52 -1.21 -5.11 118.95 111.10 1di3 s ARG 119 Ca 0.15 -0.46 -0.21 0.00 -0.52 0.00 0.00 55.73 54.69 1di3 s ARG 119 Cb -0.05 0.47 0.02 0.00 0.52 0.00 0.00 34.95 35.91 1di3 s ARG 119 CO 0.86 -0.40 0.69 0.34 0.02 0.00 0.00 175.30 176.81 1di3 s ASP 120 N -2.37 6.37 0.00 0.23 3.68 -1.26 -4.89 116.67 118.43 1di3 s ASP 120 Ca -0.02 -0.19 0.23 0.00 2.13 0.00 0.00 52.55 54.71 1di3 s ASP 120 Cb 0.00 -2.34 0.48 0.00 -1.45 0.00 0.00 42.92 39.61 1di3 s ASP 120 CO -0.07 -0.79 1.44 1.33 0.13 0.00 0.00 175.17 177.21 1di3 n VAL 121 N 5.90 0.61 0.07 1.11 0.24 -1.26 -4.55 118.33 120.45 1di3 n VAL 121 Ca -0.00 -0.80 0.21 0.00 -2.04 0.00 0.00 64.34 61.70 1di3 n VAL 121 Cb 0.48 0.87 0.74 0.00 -1.47 0.00 0.00 33.84 34.46 1di3 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1di3 h ARG 122 N 4.45 0.00 -0.12 7.34 3.08 -1.90 -0.66 114.38 126.57 1di3 h ARG 122 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1di3 h ARG 122 Cb 0.99 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.03 1di3 h ARG 122 CO 0.00 0.00 0.14 -0.56 -1.07 0.00 0.00 179.97 178.48 1di3 h GLN 123 N 0.00 0.00 0.00 0.04 3.07 -1.97 -1.52 115.11 114.74 1di3 h GLN 123 Ca 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.92 1di3 h GLN 123 Cb 1.05 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.60 1di3 h GLN 123 CO -0.00 0.00 -0.15 1.88 0.09 0.00 0.00 178.83 180.65 1di3 h TYR 124 N 0.00 0.00 -0.01 0.06 0.05 -1.45 -3.23 116.97 112.40 1di3 h TYR 124 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1di3 h TYR 124 Cb 0.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.09 1di3 h TYR 124 CO 0.00 0.15 0.00 1.33 -1.05 0.00 0.00 178.16 178.59 1di3 n VAL 125 N -3.28 0.01 -2.03 -2.88 0.24 -0.64 -4.81 118.33 104.94 1di3 n VAL 125 Ca 0.01 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.38 1di3 n VAL 125 Cb 0.40 1.09 -0.03 0.00 -1.47 0.00 0.00 33.84 33.83 1di3 n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1di3 s GLN 126 N -0.36 4.22 0.00 7.34 -1.52 -0.79 -2.37 119.66 126.18 1di3 s GLN 126 Ca 0.05 2.20 0.00 0.00 -1.95 0.00 0.00 55.36 55.66 1di3 s GLN 126 Cb 0.04 -3.64 0.00 0.00 -0.22 0.00 0.00 33.01 29.18 1di3 s GLN 126 CO 0.05 -0.70 0.00 0.41 -0.25 0.00 0.00 175.29 174.80 1di3 n GLY 127 N 3.90 0.78 0.05 3.09 0.00 -1.26 -4.94 105.19 106.81 1di3 n GLY 127 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1di3 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1di3 n GLY 129 N 1.44 0.21 0.00 0.00 0.00 -1.26 -4.82 105.19 100.77 1di3 n GLY 129 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1di3 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65