#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ouj s VAL 2 N 0.00 4.55 0.50 3.15 1.01 -1.26 -1.06 120.40 127.29 1ouj s VAL 2 Ca 0.00 -1.26 -0.21 0.00 0.00 0.00 0.00 61.98 60.51 1ouj s VAL 2 Cb 0.00 -3.74 -0.07 0.00 0.00 0.00 0.00 36.38 32.57 1ouj s VAL 2 CO 0.00 -0.51 1.11 -0.36 0.00 0.00 0.00 175.10 175.35 1ouj s PHE 3 N 1.50 2.83 0.30 5.22 0.08 -0.62 -5.01 117.98 122.28 1ouj s PHE 3 Ca 0.03 1.56 -0.09 0.00 0.12 0.00 0.00 56.93 58.55 1ouj s PHE 3 Cb -0.23 -3.26 -0.07 0.00 -0.57 0.00 0.00 43.02 38.90 1ouj s PHE 3 CO 0.04 -1.33 0.62 -1.21 -0.10 0.00 0.00 175.22 173.23 1ouj s GLU 4 N -3.06 3.77 0.08 0.44 2.02 -1.26 -4.86 118.70 115.82 1ouj s GLU 4 Ca 0.68 0.28 -0.19 0.00 0.02 0.00 0.00 54.97 55.77 1ouj s GLU 4 Cb -0.23 -2.56 -0.06 0.00 0.10 0.00 0.00 34.13 31.37 1ouj s GLU 4 CO 0.28 0.19 1.31 -0.09 0.02 0.00 0.00 175.26 176.96 1ouj h ARG 5 N 1.96 -0.19 -0.09 1.61 2.43 -1.96 -1.56 114.38 116.57 1ouj h ARG 5 Ca -0.47 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.66 1ouj h ARG 5 Cb 1.18 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1ouj h ARG 5 CO 0.67 -0.13 -0.18 0.00 -1.51 0.00 0.00 179.97 178.82 1ouj h GLU 7 N 0.14 0.35 -0.56 0.00 4.81 -1.86 -1.55 114.58 115.90 1ouj h GLU 7 Ca 0.03 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1ouj h GLU 7 Cb 0.40 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1ouj h GLU 7 CO 0.03 0.23 0.01 1.25 -0.73 0.00 0.00 179.01 179.80 1ouj h LEU 8 N 0.36 0.96 -0.55 1.64 5.85 -0.75 -2.33 115.31 120.49 1ouj h LEU 8 Ca 0.10 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.57 1ouj h LEU 8 Cb -0.03 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.69 1ouj h LEU 8 CO -0.03 1.02 0.28 0.00 -0.34 0.00 0.00 178.44 179.37 1ouj h ALA 9 N 0.97 0.72 -0.63 1.25 0.00 -0.97 -0.15 119.26 120.45 1ouj h ALA 9 Ca 0.16 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1ouj h ALA 9 Cb 0.52 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1ouj h ALA 9 CO 0.03 -0.07 0.02 0.00 0.00 0.00 0.00 179.25 179.23 1ouj h ARG 10 N 0.54 1.09 -0.32 0.00 3.08 -1.17 -2.07 114.38 115.53 1ouj h ARG 10 Ca 0.25 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1ouj h ARG 10 Cb 0.17 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1ouj h ARG 10 CO -0.18 1.05 0.12 1.15 -1.07 0.00 0.00 179.97 181.04 1ouj h THR 11 N 1.00 1.19 -0.74 2.04 2.02 -0.85 -2.12 112.91 115.45 1ouj h THR 11 Ca 0.18 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 1ouj h THR 11 Cb 0.54 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 1ouj h THR 11 CO 0.03 0.20 0.33 -0.07 0.37 0.00 0.00 175.52 176.38 1ouj h LEU 12 N 0.36 0.99 -0.54 2.58 3.38 -0.94 -1.70 115.31 119.44 1ouj h LEU 12 Ca 0.11 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ouj h LEU 12 Cb 0.20 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1ouj h LEU 12 CO -0.01 0.87 0.34 0.50 0.09 0.00 0.00 178.44 180.23 1ouj h LYS 13 N 1.05 0.72 -0.02 1.13 3.64 -1.17 -1.90 116.57 120.01 1ouj h LYS 13 Ca 0.25 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1ouj h LYS 13 Cb 0.16 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1ouj h LYS 13 CO -0.03 0.50 -0.25 -0.09 -2.27 0.00 0.00 179.45 177.32 1ouj h ARG 14 N 0.72 0.04 -0.02 1.90 2.43 -1.12 -1.34 114.38 116.99 1ouj h ARG 14 Ca 0.19 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1ouj h ARG 14 Cb -0.04 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1ouj h ARG 14 CO -0.04 0.29 0.00 1.28 -1.51 0.00 0.00 179.97 179.99 1ouj n LEU 15 N -4.23 0.34 -0.86 3.80 4.77 -0.66 -4.91 117.00 115.24 1ouj n LEU 15 Ca -0.02 -0.13 -0.05 0.00 -0.03 0.00 0.00 56.01 55.78 1ouj n LEU 15 Cb 0.31 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1ouj n LEU 15 CO 0.38 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1ouj n GLY 16 N 0.94 0.43 0.13 -0.72 0.00 -0.50 -4.97 105.19 100.49 1ouj n GLY 16 Ca 0.18 -0.58 0.10 0.00 0.00 0.00 0.00 46.02 45.72 1ouj n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ouj h MET 17 N -0.32 0.00 -6.19 1.61 2.86 -1.53 -3.41 114.93 107.94 1ouj h MET 17 Ca -0.11 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.94 1ouj h MET 17 Cb 1.08 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 1ouj h MET 17 CO 0.12 0.04 1.33 0.34 1.06 0.00 0.00 176.91 179.81 1ouj s ASP 18 N -5.56 5.78 0.00 1.22 2.15 -1.26 -1.97 116.67 117.04 1ouj s ASP 18 Ca 0.00 1.49 0.00 0.00 0.43 0.00 0.00 52.55 54.47 1ouj s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1ouj s ASP 18 CO 0.77 -1.76 0.00 0.61 -0.17 0.00 0.00 175.17 174.62 1ouj n GLY 19 N 5.50 0.65 3.69 2.66 0.00 0.56 -4.89 105.19 113.36 1ouj n GLY 19 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 1ouj n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ouj n TYR 20 N -2.66 2.60 -3.32 1.61 9.36 -0.83 -1.18 117.16 122.74 1ouj n TYR 20 Ca 0.00 -0.18 -0.23 0.00 3.32 0.00 0.00 57.90 60.81 1ouj n TYR 20 Cb 0.00 -2.74 -0.00 0.00 -0.63 0.00 0.00 39.34 35.97 1ouj n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1ouj n ARG 21 N 5.94 -3.46 -0.91 2.98 5.12 -1.26 -0.58 116.66 124.49 1ouj n ARG 21 Ca 0.18 0.50 0.00 0.00 -1.93 0.00 0.00 57.85 56.61 1ouj n ARG 21 Cb 0.38 -5.22 0.00 0.00 -1.16 0.00 0.00 32.46 26.46 1ouj n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ouj n GLY 22 N -1.19 0.69 3.58 -0.13 0.00 -0.32 -5.03 105.19 102.79 1ouj n GLY 22 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1ouj n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ouj s ILE 23 N -2.64 5.28 0.69 -0.61 1.01 0.25 -4.89 121.20 120.29 1ouj s ILE 23 Ca 0.00 0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.64 1ouj s ILE 23 Cb 0.00 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.88 1ouj s ILE 23 CO 0.00 0.16 1.15 -0.94 0.00 0.00 0.00 174.94 175.31 1ouj s SER 24 N 1.73 4.72 0.21 3.58 1.04 -1.26 -0.32 113.70 123.40 1ouj s SER 24 Ca 0.08 2.14 -0.09 0.00 0.48 0.00 0.00 55.95 58.56 1ouj s SER 24 Cb -0.16 -2.57 0.24 0.00 0.10 0.00 0.00 66.02 63.64 1ouj s SER 24 CO 0.11 -1.90 1.80 0.25 0.98 0.00 0.00 173.24 174.48 1ouj h LEU 25 N -0.12 0.52 -1.98 2.42 5.85 -1.90 -1.67 115.31 118.43 1ouj h LEU 25 Ca -0.47 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.41 1ouj h LEU 25 Cb 1.27 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1ouj h LEU 25 CO 0.52 0.33 0.32 0.00 -0.34 0.00 0.00 178.44 179.27 1ouj h ALA 26 N 1.35 2.39 -0.17 1.25 0.00 -1.92 -0.49 119.26 121.67 1ouj h ALA 26 Ca 0.30 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.00 1ouj h ALA 26 Cb 0.21 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ouj h ALA 26 CO -0.19 -0.51 -0.67 -0.91 0.00 0.00 0.00 179.25 176.97 1ouj h ASN 27 N 0.02 0.88 -0.40 0.00 2.35 -1.63 -0.86 115.58 115.94 1ouj h ASN 27 Ca 0.21 -0.61 -0.07 0.00 -0.55 0.00 0.00 56.30 55.27 1ouj h ASN 27 Cb 0.81 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 1ouj h ASN 27 CO -0.01 1.34 -0.00 -0.50 -1.65 0.00 0.00 177.43 176.61 1ouj h TRP 28 N 0.46 0.84 -0.27 1.19 4.06 -1.10 -0.23 115.95 120.91 1ouj h TRP 28 Ca -0.04 -0.12 -0.03 0.00 2.06 0.00 0.00 58.89 60.76 1ouj h TRP 28 Cb 1.30 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 29.21 1ouj h TRP 28 CO 0.09 0.78 0.04 0.52 -3.56 0.00 0.00 178.44 176.31 1ouj h MET 29 N 0.74 0.45 -0.70 0.49 2.86 -1.05 -1.18 114.93 116.54 1ouj h MET 29 Ca 0.14 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1ouj h MET 29 Cb 0.45 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 1ouj h MET 29 CO 0.02 0.57 0.46 0.00 1.06 0.00 0.00 176.91 179.02 1ouj h LEU 31 N 0.95 -0.15 -1.11 0.00 5.85 -0.86 -2.37 115.31 117.63 1ouj h LEU 31 Ca 0.26 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 1ouj h LEU 31 Cb -0.10 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1ouj h LEU 31 CO -0.05 -0.10 0.30 0.00 -0.34 0.00 0.00 178.44 178.24 1ouj h ALA 32 N 0.73 1.30 -0.06 1.25 0.00 -1.02 -1.00 119.26 120.47 1ouj h ALA 32 Ca -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ouj h ALA 32 Cb 0.13 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ouj h ALA 32 CO 0.02 0.53 0.03 -0.22 0.00 0.00 0.00 179.25 179.61 1ouj h LYS 33 N 0.92 0.08 0.01 0.00 1.63 -1.04 -1.93 116.57 116.24 1ouj h LYS 33 Ca 0.22 -0.01 -0.19 0.00 -0.85 0.00 0.00 60.65 59.82 1ouj h LYS 33 Cb 0.12 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.72 1ouj h LYS 33 CO -0.03 0.14 -0.89 -1.49 -3.45 0.00 0.00 179.45 173.73 1ouj h TRP 34 N 0.00 0.13 -0.07 1.91 4.06 -1.33 -1.19 115.95 119.47 1ouj h TRP 34 Ca 0.02 -0.08 -0.17 0.00 2.06 0.00 0.00 58.89 60.72 1ouj h TRP 34 Cb 0.08 -0.01 0.01 0.00 -1.00 0.00 0.00 29.16 28.24 1ouj h TRP 34 CO -0.05 0.93 -0.62 0.93 -3.56 0.00 0.00 178.44 176.08 1ouj h GLU 35 N 0.04 0.54 0.00 0.49 4.39 -1.18 -3.42 114.58 115.44 1ouj h GLU 35 Ca -0.03 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1ouj h GLU 35 Cb 1.55 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.32 1ouj h GLU 35 CO 0.13 1.12 0.00 -1.13 -1.16 0.00 0.00 179.01 177.96 1ouj n SER 36 N -4.16 0.09 -1.35 1.42 3.41 -0.77 -4.85 113.62 107.41 1ouj n SER 36 Ca -0.09 -0.46 -0.11 0.00 -0.26 0.00 0.00 58.87 57.95 1ouj n SER 36 Cb 0.67 0.14 -0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1ouj n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ouj n GLY 37 N 0.14 -0.06 2.29 5.00 0.00 -0.45 -2.82 105.19 109.29 1ouj n GLY 37 Ca 0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 1ouj n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ouj n TYR 38 N -3.99 -0.70 -3.76 1.61 0.53 -1.13 -4.81 117.16 104.92 1ouj n TYR 38 Ca -0.12 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.40 1ouj n TYR 38 Cb 0.59 -3.15 -0.12 0.00 -1.03 0.00 0.00 39.34 35.63 1ouj n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1ouj s ASN 39 N -2.33 5.19 0.50 7.72 2.47 -1.13 -1.58 114.94 125.78 1ouj s ASN 39 Ca 0.00 -0.19 0.29 0.00 0.42 0.00 0.00 52.86 53.39 1ouj s ASN 39 Cb 0.00 -1.93 1.06 0.00 -1.45 0.00 0.00 41.25 38.93 1ouj s ASN 39 CO 0.00 -0.03 1.87 0.71 -3.72 0.00 0.00 177.10 175.94 1ouj h THR 40 N 5.51 0.14 -0.58 -5.21 1.35 -1.42 -3.18 112.91 109.53 1ouj h THR 40 Ca -0.38 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 1ouj h THR 40 Cb 1.18 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 1ouj h THR 40 CO 0.58 0.06 0.00 -2.11 -0.25 0.00 0.00 175.52 173.80 1ouj n ARG 41 N -3.16 2.58 -1.92 4.72 1.85 -1.26 -4.06 116.66 115.41 1ouj n ARG 41 Ca 0.01 -2.43 -0.42 0.00 -1.00 0.00 0.00 57.85 54.01 1ouj n ARG 41 Cb 0.38 -1.54 -0.03 0.00 -1.05 0.00 0.00 32.46 30.23 1ouj n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ouj s ALA 42 N -1.24 3.76 0.04 2.89 0.00 -1.20 -4.82 121.76 121.19 1ouj s ALA 42 Ca 0.44 1.35 0.05 0.00 0.00 0.00 0.00 51.96 53.80 1ouj s ALA 42 Cb 0.24 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 1ouj s ALA 42 CO 0.32 -0.88 -0.16 0.95 0.00 0.00 0.00 175.76 176.00 1ouj s THR 43 N 1.54 1.25 -0.18 0.00 -4.23 -1.26 -0.64 115.64 112.12 1ouj s THR 43 Ca 0.72 -1.03 -0.04 0.00 -1.18 0.00 0.00 61.69 60.15 1ouj s THR 43 Cb -0.43 -1.11 0.08 0.00 1.34 0.00 0.00 72.50 72.38 1ouj s THR 43 CO 0.32 0.07 0.19 0.21 -0.54 0.00 0.00 174.62 174.87 1ouj s ASN 44 N -1.11 1.45 -0.02 3.99 2.47 -0.62 -4.97 114.94 116.12 1ouj s ASN 44 Ca 0.03 -0.20 -0.27 0.00 0.42 0.00 0.00 52.86 52.83 1ouj s ASN 44 Cb -0.08 0.26 -0.03 0.00 -1.45 0.00 0.00 41.25 39.95 1ouj s ASN 44 CO 0.01 -0.32 0.86 -0.47 -3.72 0.00 0.00 177.10 173.47 1ouj s TYR 45 N 2.29 3.64 -0.67 0.43 6.14 -1.26 -0.42 117.35 127.49 1ouj s TYR 45 Ca 0.05 1.52 -0.14 0.00 0.64 0.00 0.00 57.07 59.14 1ouj s TYR 45 Cb -0.15 -2.99 0.17 0.00 0.42 0.00 0.00 41.96 39.41 1ouj s TYR 45 CO -0.11 0.04 0.62 -0.80 0.64 0.00 0.00 175.55 175.94 1ouj s ASN 46 N 0.86 6.41 0.46 4.32 0.01 0.24 -4.92 114.94 122.33 1ouj s ASN 46 Ca 0.46 -2.24 0.18 0.00 -0.71 0.00 0.00 52.86 50.55 1ouj s ASN 46 Cb -0.20 -2.19 1.15 0.00 0.41 0.00 0.00 41.25 40.42 1ouj s ASN 46 CO 0.24 -0.71 1.96 0.00 -1.51 0.00 0.00 177.10 177.08 1ouj h ALA 47 N 8.31 2.21 -0.77 0.60 0.00 -1.95 0.13 119.26 127.79 1ouj h ALA 47 Ca -0.10 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ouj h ALA 47 Cb 1.07 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1ouj h ALA 47 CO 0.89 -0.38 0.51 0.78 0.00 0.00 0.00 179.25 181.04 1ouj h GLY 48 N 0.29 1.08 0.00 0.00 0.00 -1.95 -3.32 103.07 99.18 1ouj h GLY 48 Ca 0.31 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1ouj h GLY 48 CO -0.07 0.38 0.00 2.09 0.00 0.00 0.00 176.54 178.94 1ouj n ASP 49 N -4.56 1.44 -1.38 0.19 5.75 -0.99 -5.02 116.55 111.98 1ouj n ASP 49 Ca 0.08 -1.60 -0.14 0.00 -0.01 0.00 0.00 54.79 53.11 1ouj n ASP 49 Cb 0.03 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.08 1ouj n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ouj n ARG 50 N -0.30 -1.07 -4.14 0.11 1.74 -0.00 -4.82 116.66 108.17 1ouj n ARG 50 Ca 0.00 0.84 -0.22 0.00 -0.77 0.00 0.00 57.85 57.69 1ouj n ARG 50 Cb 0.22 -5.04 -0.06 0.00 -1.02 0.00 0.00 32.46 26.56 1ouj n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ouj s SER 51 N -2.58 5.01 0.01 0.55 1.04 -1.22 -4.46 113.70 112.04 1ouj s SER 51 Ca 0.00 -0.51 0.04 0.00 0.48 0.00 0.00 55.95 55.96 1ouj s SER 51 Cb 0.00 -1.04 -0.01 0.00 0.10 0.00 0.00 66.02 65.06 1ouj s SER 51 CO 0.00 -0.11 -0.13 -0.89 0.98 0.00 0.00 173.24 173.09 1ouj s THR 52 N -2.27 1.03 -0.15 2.02 2.01 -1.26 -0.59 115.64 116.43 1ouj s THR 52 Ca 0.34 -0.74 -0.13 0.00 0.31 0.00 0.00 61.69 61.47 1ouj s THR 52 Cb -0.06 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 1ouj s THR 52 CO 0.23 0.15 0.29 -1.81 -0.69 0.00 0.00 174.62 172.79 1ouj s ASP 53 N -0.67 6.46 -0.08 3.53 1.01 0.43 -1.35 116.67 126.01 1ouj s ASP 53 Ca 0.03 0.54 0.04 0.00 0.71 0.00 0.00 52.55 53.87 1ouj s ASP 53 Cb -0.06 -2.18 -0.00 0.00 1.01 0.00 0.00 42.92 41.69 1ouj s ASP 53 CO 0.00 0.14 -0.23 -0.31 0.21 0.00 0.00 175.17 174.98 1ouj s TYR 54 N 0.26 2.38 0.00 4.23 2.02 -0.00 -1.59 117.35 124.64 1ouj s TYR 54 Ca 0.17 -0.89 0.00 0.00 -0.37 0.00 0.00 57.07 55.98 1ouj s TYR 54 Cb -0.13 -1.59 0.00 0.00 -0.40 0.00 0.00 41.96 39.84 1ouj s TYR 54 CO 0.05 -0.34 0.00 0.41 -1.57 0.00 0.00 175.55 174.09 1ouj n GLY 55 N 3.38 -2.00 0.35 0.71 0.00 0.18 -1.56 105.19 106.27 1ouj n GLY 55 Ca -0.19 -1.52 0.14 0.00 0.00 0.00 0.00 46.02 44.45 1ouj n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ouj h ILE 56 N 0.00 0.86 -0.08 -0.61 2.10 -1.69 -0.84 117.51 117.25 1ouj h ILE 56 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 1ouj h ILE 56 Cb 0.00 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 36.28 1ouj h ILE 56 CO 0.00 0.05 0.00 0.49 -1.08 0.00 0.00 178.15 177.61 1ouj n PHE 57 N -4.46 0.08 -3.72 2.19 0.99 -1.26 -4.07 117.46 107.22 1ouj n PHE 57 Ca 0.09 -0.05 -0.29 0.00 -0.00 0.00 0.00 57.45 57.20 1ouj n PHE 57 Cb 0.41 -0.00 0.03 0.00 -1.00 0.00 0.00 39.48 38.92 1ouj n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1ouj n GLN 58 N 1.06 -2.01 -2.53 -1.08 1.13 -0.32 -4.92 117.38 108.71 1ouj n GLN 58 Ca 0.12 0.48 -0.42 0.00 -1.94 0.00 0.00 57.00 55.24 1ouj n GLN 58 Cb 0.47 -4.36 -0.03 0.00 0.11 0.00 0.00 30.24 26.43 1ouj n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ouj s ILE 59 N -3.57 4.29 0.17 5.09 1.01 -0.60 -4.44 121.20 123.15 1ouj s ILE 59 Ca 0.34 1.68 -0.30 0.00 0.00 0.00 0.00 60.65 62.38 1ouj s ILE 59 Cb -0.12 -4.08 -0.07 0.00 0.01 0.00 0.00 42.46 38.20 1ouj s ILE 59 CO 0.86 0.15 0.94 0.21 0.00 0.00 0.00 174.94 177.10 1ouj s ASN 60 N 0.88 7.55 0.17 3.58 3.84 -1.26 -0.82 114.94 128.87 1ouj s ASN 60 Ca 0.55 1.85 0.21 0.00 0.21 0.00 0.00 52.86 55.68 1ouj s ASN 60 Cb -0.27 -2.59 0.86 0.00 -0.55 0.00 0.00 41.25 38.70 1ouj s ASN 60 CO 0.29 0.06 1.64 -1.54 -2.79 0.00 0.00 177.10 174.76 1ouj n SER 61 N 2.13 0.44 0.09 -4.21 3.41 -0.45 -2.21 113.62 112.81 1ouj n SER 61 Ca -0.00 0.60 -0.04 0.00 -0.26 0.00 0.00 58.87 59.17 1ouj n SER 61 Cb 0.48 -0.70 0.16 0.00 -0.26 0.00 0.00 64.21 63.89 1ouj n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ouj h ARG 62 N 0.00 0.25 0.00 4.33 2.43 -1.84 -3.40 114.38 116.15 1ouj h ARG 62 Ca 0.00 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1ouj h ARG 62 Cb 0.34 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1ouj h ARG 62 CO 0.00 0.72 -0.88 0.66 -1.51 0.00 0.00 179.97 178.96 1ouj n TYR 63 N -3.93 0.00 -0.08 2.20 4.02 -1.20 -0.34 117.16 117.83 1ouj n TYR 63 Ca -0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.70 1ouj n TYR 63 Cb 0.56 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.75 1ouj n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1ouj n TRP 64 N -1.93 0.44 -4.15 -0.72 7.02 -0.94 -1.02 117.44 116.14 1ouj n TRP 64 Ca 0.00 0.11 -0.10 0.00 -1.02 0.00 0.00 57.50 56.49 1ouj n TRP 64 Cb 0.44 -1.06 -0.10 0.00 -2.42 0.00 0.00 31.31 28.17 1ouj n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ouj s ASN 66 N -2.99 6.23 0.00 0.00 2.47 -0.13 -4.57 114.94 115.96 1ouj s ASN 66 Ca 0.10 0.26 0.00 0.00 0.42 0.00 0.00 52.86 53.64 1ouj s ASN 66 Cb 0.05 -2.14 0.00 0.00 -1.45 0.00 0.00 41.25 37.71 1ouj s ASN 66 CO -0.06 0.04 0.73 -0.90 -3.72 0.00 0.00 177.10 173.19 1ouj n ASP 67 N 4.23 1.39 0.00 -4.21 5.68 -1.26 -1.28 116.55 121.10 1ouj n ASP 67 Ca -0.13 -1.50 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 1ouj n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1ouj n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ouj n GLY 68 N -0.25 1.30 0.91 6.12 0.00 -1.26 -4.68 105.19 107.32 1ouj n GLY 68 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1ouj n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ouj n LYS 69 N -0.84 2.10 -3.27 1.61 2.85 -1.26 -4.92 118.16 114.43 1ouj n LYS 69 Ca 0.00 -1.87 -0.39 0.00 -1.05 0.00 0.00 58.31 55.00 1ouj n LYS 69 Cb 0.00 -1.43 -0.07 0.00 -0.65 0.00 0.00 35.03 32.88 1ouj n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ouj s THR 70 N -1.75 5.11 0.37 0.58 2.01 -1.26 -4.97 115.64 115.72 1ouj s THR 70 Ca 0.27 0.86 -0.28 0.00 0.31 0.00 0.00 61.69 62.86 1ouj s THR 70 Cb 0.19 -3.81 -0.10 0.00 0.01 0.00 0.00 72.50 68.79 1ouj s THR 70 CO 0.28 0.16 1.39 -2.84 -0.69 0.00 0.00 174.62 172.91 1ouj s PRO 71 N 1.85 4.16 -1.43 4.92 0.02 -1.26 -3.43 135.00 139.83 1ouj s PRO 71 Ca 0.22 2.37 -0.13 0.00 0.02 0.00 0.00 61.00 63.47 1ouj s PRO 71 Cb -0.15 -2.96 0.11 0.00 0.02 0.00 0.00 34.50 31.51 1ouj s PRO 71 CO 0.09 -0.41 0.62 0.41 -0.33 0.00 0.00 177.00 177.39 1ouj n GLY 72 N 0.63 -0.47 3.92 0.52 0.00 -1.26 -4.94 105.19 103.58 1ouj n GLY 72 Ca 0.01 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1ouj n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ouj s ALA 73 N -3.06 3.73 0.46 4.61 0.00 -1.22 -5.00 121.76 121.28 1ouj s ALA 73 Ca 0.54 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.80 1ouj s ALA 73 Cb -0.29 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 1ouj s ALA 73 CO 0.67 0.29 0.06 0.14 0.00 0.00 0.00 175.76 176.92 1ouj s VAL 74 N -2.02 1.69 -0.46 0.00 -7.23 0.53 -5.00 120.40 107.91 1ouj s VAL 74 Ca 0.41 -1.92 0.07 0.00 -1.81 0.00 0.00 61.98 58.72 1ouj s VAL 74 Cb -0.11 -2.61 0.23 0.00 0.56 0.00 0.00 36.38 34.45 1ouj s VAL 74 CO 0.30 0.00 0.54 -3.20 -0.31 0.00 0.00 175.10 172.43 1ouj n ASN 75 N -1.18 0.95 0.24 4.85 5.15 -1.24 -3.89 115.26 120.14 1ouj n ASN 75 Ca -0.10 -2.82 0.07 0.00 -0.60 0.00 0.00 54.58 51.13 1ouj n ASN 75 Cb 0.66 -0.64 0.59 0.00 -0.53 0.00 0.00 39.78 39.86 1ouj n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ouj h ALA 76 N 4.36 1.79 -0.00 5.20 0.00 -1.09 -1.47 119.26 128.05 1ouj h ALA 76 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ouj h ALA 76 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ouj h ALA 76 CO 0.54 0.12 -0.14 0.00 0.00 0.00 0.00 179.25 179.77 1ouj n HIS 78 N -0.97 -1.88 -4.01 0.00 -0.00 -0.55 -4.99 115.22 102.81 1ouj n HIS 78 Ca 0.13 0.81 -0.10 0.00 -0.00 0.00 0.00 57.72 58.56 1ouj n HIS 78 Cb 0.29 -4.24 -0.11 0.00 -0.00 0.00 0.00 29.99 25.93 1ouj n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ouj s LEU 79 N -6.67 2.26 0.38 2.41 1.43 -1.26 -5.07 118.68 112.15 1ouj s LEU 79 Ca 0.04 -0.54 -0.25 0.00 -1.03 0.00 0.00 54.13 52.35 1ouj s LEU 79 Cb -0.01 0.01 -0.09 0.00 0.03 0.00 0.00 46.19 46.13 1ouj s LEU 79 CO 0.82 -0.28 1.03 -0.55 0.23 0.00 0.00 176.35 177.61 1ouj s SER 80 N -1.57 6.89 0.63 2.29 0.15 -1.26 -0.96 113.70 119.88 1ouj s SER 80 Ca -0.13 2.01 0.40 0.00 0.70 0.00 0.00 55.95 58.94 1ouj s SER 80 Cb -0.09 -2.59 2.07 0.00 -1.71 0.00 0.00 66.02 63.70 1ouj s SER 80 CO -0.01 -0.39 2.25 0.00 1.20 0.00 0.00 173.24 176.29 1ouj h SER 82 N 0.00 0.61 -0.07 0.00 0.87 -1.90 -1.77 113.55 111.28 1ouj h SER 82 Ca -0.00 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1ouj h SER 82 Cb 0.16 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1ouj h SER 82 CO 0.00 0.42 0.09 0.00 -0.53 0.00 0.00 176.83 176.81 1ouj h ALA 83 N 1.65 1.59 -0.31 6.23 0.00 -1.69 -1.19 119.26 125.54 1ouj h ALA 83 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ouj h ALA 83 Cb 0.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ouj h ALA 83 CO -0.07 -0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.33 1ouj n LEU 84 N -3.74 1.69 -0.20 0.00 4.77 -0.67 -3.57 117.00 115.29 1ouj n LEU 84 Ca -0.01 -0.85 0.02 0.00 -0.03 0.00 0.00 56.01 55.14 1ouj n LEU 84 Cb 0.19 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1ouj n LEU 84 CO 0.26 0.42 0.52 0.18 -1.33 0.00 0.00 177.39 177.44 1ouj n LEU 85 N 0.41 2.21 -4.82 2.23 4.77 -0.45 -3.50 117.00 117.85 1ouj n LEU 85 Ca 0.10 -1.92 -0.31 0.00 -0.03 0.00 0.00 56.01 53.86 1ouj n LEU 85 Cb 0.27 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.35 1ouj n LEU 85 CO 0.07 0.55 0.71 -1.10 -1.33 0.00 0.00 177.39 176.30 1ouj s GLN 86 N -0.94 2.70 0.19 3.23 -0.21 -1.23 -4.53 119.66 118.86 1ouj s GLN 86 Ca 0.07 0.81 0.05 0.00 0.02 0.00 0.00 55.36 56.31 1ouj s GLN 86 Cb 0.04 -1.97 0.06 0.00 1.00 0.00 0.00 33.01 32.14 1ouj s GLN 86 CO 0.05 -1.23 1.43 -0.44 -2.12 0.00 0.00 175.29 172.98 1ouj h ASP 87 N -0.81 0.17 -3.21 5.90 5.19 -1.93 -3.42 116.42 118.31 1ouj h ASP 87 Ca -0.45 -0.13 -0.59 0.00 -0.62 0.00 0.00 57.03 55.24 1ouj h ASP 87 Cb 1.23 -0.05 -0.08 0.00 0.18 0.00 0.00 39.33 40.61 1ouj h ASP 87 CO 0.58 0.91 0.59 0.21 -3.12 0.00 0.00 179.24 178.41 1ouj s ASN 88 N -6.88 6.95 -0.04 6.45 3.84 -1.26 -4.90 114.94 119.09 1ouj s ASN 88 Ca -0.02 1.18 0.10 0.00 0.21 0.00 0.00 52.86 54.33 1ouj s ASN 88 Cb 0.11 -2.48 0.38 0.00 -0.55 0.00 0.00 41.25 38.71 1ouj s ASN 88 CO 0.81 -0.56 1.25 2.30 -2.79 0.00 0.00 177.10 178.10 1ouj n ILE 89 N 5.23 0.85 -0.07 -5.21 -5.35 -1.26 -4.47 119.36 109.08 1ouj n ILE 89 Ca 0.08 -0.60 -0.07 0.00 -0.27 0.00 0.00 62.75 61.89 1ouj n ILE 89 Cb 0.47 0.04 -0.01 0.00 -1.74 0.00 0.00 39.64 38.40 1ouj n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ouj h ALA 90 N 3.50 0.13 -0.35 -1.28 0.00 -1.95 -0.47 119.26 118.83 1ouj h ALA 90 Ca 0.00 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1ouj h ALA 90 Cb 0.79 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1ouj h ALA 90 CO 0.09 -0.51 -0.28 -0.44 0.00 0.00 0.00 179.25 178.12 1ouj h ASP 91 N -0.06 0.76 -0.86 0.00 3.45 -1.87 -1.68 116.42 116.16 1ouj h ASP 91 Ca 0.14 -0.29 -0.01 0.00 0.43 0.00 0.00 57.03 57.29 1ouj h ASP 91 Cb 0.27 -0.21 -0.04 0.00 -0.56 0.00 0.00 39.33 38.78 1ouj h ASP 91 CO -0.31 1.00 0.50 0.00 -1.57 0.00 0.00 179.24 178.85 1ouj h ALA 92 N 1.05 1.10 -0.28 3.45 0.00 -1.68 -1.36 119.26 121.53 1ouj h ALA 92 Ca 0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1ouj h ALA 92 Cb 0.79 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ouj h ALA 92 CO 0.07 0.58 -0.07 0.28 0.00 0.00 0.00 179.25 180.10 1ouj h VAL 93 N 1.19 1.28 -0.49 0.00 2.07 -0.92 -0.08 116.25 119.30 1ouj h VAL 93 Ca 0.31 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1ouj h VAL 93 Cb -0.01 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1ouj h VAL 93 CO -0.05 0.35 0.21 0.00 0.02 0.00 0.00 177.57 178.09 1ouj h ALA 94 N 0.78 1.44 -0.15 1.67 0.00 -1.06 -0.73 119.26 121.22 1ouj h ALA 94 Ca 0.07 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 1ouj h ALA 94 Cb 0.56 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ouj h ALA 94 CO 0.03 0.43 -0.78 0.00 0.00 0.00 0.00 179.25 178.93 1ouj h ALA 96 N 0.59 1.29 -0.56 0.00 0.00 -0.65 0.32 119.26 120.25 1ouj h ALA 96 Ca -0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1ouj h ALA 96 Cb 1.41 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1ouj h ALA 96 CO 0.16 0.53 0.21 0.87 0.00 0.00 0.00 179.25 181.02 1ouj h LYS 97 N 0.85 0.84 -0.52 0.00 1.57 -1.02 -2.21 116.57 116.08 1ouj h LYS 97 Ca 0.20 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1ouj h LYS 97 Cb 0.18 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1ouj h LYS 97 CO -0.02 0.74 0.22 -0.09 -0.57 0.00 0.00 179.45 179.73 1ouj h ARG 98 N 0.77 0.77 -0.78 3.15 9.65 -0.70 -2.89 114.38 124.36 1ouj h ARG 98 Ca 0.19 -0.13 0.03 0.00 -1.10 0.00 0.00 59.98 58.97 1ouj h ARG 98 Cb 0.22 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.62 1ouj h ARG 98 CO -0.01 0.67 0.50 0.00 2.80 0.00 0.00 179.97 183.92 1ouj h ALA 99 N 1.06 1.03 -0.00 2.80 0.00 -0.61 -2.11 119.26 121.43 1ouj h ALA 99 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ouj h ALA 99 Cb 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ouj h ALA 99 CO -0.02 0.30 -0.01 1.33 0.00 0.00 0.00 179.25 180.85 1ouj n VAL 100 N -4.61 0.00 0.72 0.00 0.24 -0.86 -2.90 118.33 110.92 1ouj n VAL 100 Ca 0.09 -0.01 0.09 0.00 -2.04 0.00 0.00 64.34 62.48 1ouj n VAL 100 Cb 0.09 -0.46 0.43 0.00 -1.47 0.00 0.00 33.84 32.42 1ouj n VAL 100 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1ouj n ARG 101 N -1.21 0.06 -2.59 7.34 0.63 -0.79 -4.21 116.66 115.90 1ouj n ARG 101 Ca 0.16 0.16 -0.31 0.00 -0.92 0.00 0.00 57.85 56.94 1ouj n ARG 101 Cb 0.22 -1.50 -0.02 0.00 0.45 0.00 0.00 32.46 31.61 1ouj n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1ouj s ASP 102 N -2.91 6.49 0.42 6.15 -0.00 -1.14 -4.99 116.67 120.68 1ouj s ASP 102 Ca 0.11 1.26 0.22 0.00 -0.00 0.00 0.00 52.55 54.15 1ouj s ASP 102 Cb 0.13 -2.38 1.20 0.00 -0.00 0.00 0.00 42.92 41.87 1ouj s ASP 102 CO 0.34 -0.53 1.75 1.55 -0.00 0.00 0.00 175.17 178.28 1ouj h PRO 103 N 0.86 0.29 -0.18 8.23 0.13 -1.90 -0.69 132.00 138.74 1ouj h PRO 103 Ca -0.47 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 1ouj h PRO 103 Cb 1.19 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1ouj h PRO 103 CO 0.63 0.19 -0.31 1.96 -0.23 0.00 0.00 178.00 180.24 1ouj h GLN 104 N 0.30 0.35 0.00 0.86 4.20 -1.91 -3.48 115.11 115.42 1ouj h GLN 104 Ca 0.63 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 59.20 1ouj h GLN 104 Cb 1.76 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.53 1ouj h GLN 104 CO -0.29 0.63 0.00 0.41 -0.67 0.00 0.00 178.83 178.91 1ouj n GLY 105 N -0.34 2.02 0.10 3.46 0.00 -0.27 -2.39 105.19 107.76 1ouj n GLY 105 Ca -0.01 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.58 1ouj n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ouj n ILE 106 N 0.00 0.88 0.44 -0.61 3.06 -1.26 -2.70 119.36 119.16 1ouj n ILE 106 Ca 0.00 0.25 0.09 0.00 -2.50 0.00 0.00 62.75 60.59 1ouj n ILE 106 Cb 0.00 -1.14 0.39 0.00 0.54 0.00 0.00 39.64 39.43 1ouj n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1ouj n ARG 107 N -2.07 0.09 0.22 9.51 1.74 -1.01 -2.80 116.66 122.34 1ouj n ARG 107 Ca 0.02 0.34 0.14 0.00 -0.77 0.00 0.00 57.85 57.59 1ouj n ARG 107 Cb 0.21 -1.68 0.78 0.00 -1.02 0.00 0.00 32.46 30.75 1ouj n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ouj h ALA 108 N 2.37 1.87 -2.41 7.54 0.00 -1.69 -3.37 119.26 123.58 1ouj h ALA 108 Ca 0.00 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 1ouj h ALA 108 Cb 0.29 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.92 1ouj h ALA 108 CO 0.00 -0.17 -0.15 -1.58 0.00 0.00 0.00 179.25 177.35 1ouj s TRP 109 N -4.81 3.17 0.44 0.00 0.51 -1.12 -4.93 118.94 112.19 1ouj s TRP 109 Ca -0.05 -0.15 0.11 0.00 -2.12 0.00 0.00 56.10 53.89 1ouj s TRP 109 Cb 0.16 -2.91 0.97 0.00 -0.81 0.00 0.00 33.47 30.89 1ouj s TRP 109 CO 0.61 -0.63 2.03 0.28 -0.51 0.00 0.00 176.95 178.73 1ouj h VAL 110 N 5.68 1.10 -0.02 4.03 2.07 -1.89 -1.19 116.25 126.03 1ouj h VAL 110 Ca -0.27 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1ouj h VAL 110 Cb 1.12 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1ouj h VAL 110 CO 0.78 0.12 -0.00 0.00 0.02 0.00 0.00 177.57 178.49 1ouj h ALA 111 N 1.80 1.95 -0.39 1.67 0.00 -1.93 -1.93 119.26 120.42 1ouj h ALA 111 Ca 0.06 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1ouj h ALA 111 Cb 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ouj h ALA 111 CO 0.00 0.04 0.00 2.35 0.00 0.00 0.00 179.25 181.64 1ouj h TRP 112 N 0.03 0.75 -0.35 0.00 7.01 -1.53 -0.59 115.95 121.27 1ouj h TRP 112 Ca 0.01 -0.13 -0.01 0.00 2.11 0.00 0.00 58.89 60.87 1ouj h TRP 112 Cb 0.03 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 26.88 1ouj h TRP 112 CO 0.00 0.77 0.19 0.00 -2.79 0.00 0.00 178.44 176.61 1ouj h ARG 113 N 0.52 0.49 -0.01 2.65 3.08 -1.39 0.22 114.38 119.94 1ouj h ARG 113 Ca 0.11 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1ouj h ARG 113 Cb 0.47 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1ouj h ARG 113 CO 0.02 0.41 -0.00 -0.91 -1.07 0.00 0.00 179.97 178.41 1ouj h ASN 114 N 0.45 0.03 0.00 7.04 2.35 -1.29 -3.34 115.58 120.82 1ouj h ASN 114 Ca 0.12 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1ouj h ASN 114 Cb 0.06 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1ouj h ASN 114 CO -0.02 0.39 -1.15 0.54 -1.65 0.00 0.00 177.43 175.54 1ouj n ARG 115 N -4.89 0.67 0.00 0.81 5.12 -0.24 -4.81 116.66 113.32 1ouj n ARG 115 Ca -0.08 -0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 1ouj n ARG 115 Cb 0.20 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 1ouj n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ouj n GLN 117 N -2.39 2.33 -1.03 0.00 7.27 -0.20 -2.28 117.38 121.07 1ouj n GLN 117 Ca 0.00 0.83 -0.01 0.00 0.07 0.00 0.00 57.00 57.89 1ouj n GLN 117 Cb 0.46 -2.57 -0.00 0.00 2.41 0.00 0.00 30.24 30.53 1ouj n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1ouj n ASN 118 N 2.72 -5.34 -4.91 1.69 5.03 -1.26 -4.96 115.26 108.23 1ouj n ASN 118 Ca 0.13 0.03 -0.20 0.00 0.87 0.00 0.00 54.58 55.41 1ouj n ASN 118 Cb 0.32 -2.93 -0.02 0.00 -1.02 0.00 0.00 39.78 36.13 1ouj n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1ouj s ARG 119 N -1.70 2.69 -0.70 3.52 0.52 -0.97 -5.05 118.95 117.27 1ouj s ARG 119 Ca 0.00 -1.37 -0.24 0.00 -0.52 0.00 0.00 55.73 53.59 1ouj s ARG 119 Cb 0.00 -2.51 0.05 0.00 0.52 0.00 0.00 34.95 33.01 1ouj s ARG 119 CO 0.00 -0.12 1.10 0.34 0.02 0.00 0.00 175.30 176.64 1ouj s ASP 120 N -4.14 6.17 0.00 0.23 2.15 -1.26 -4.87 116.67 114.94 1ouj s ASP 120 Ca 0.47 -0.78 0.19 0.00 0.43 0.00 0.00 52.55 52.87 1ouj s ASP 120 Cb -0.06 -2.48 0.56 0.00 -0.30 0.00 0.00 42.92 40.64 1ouj s ASP 120 CO 0.29 -1.60 1.44 1.33 -0.17 0.00 0.00 175.17 176.46 1ouj n VAL 121 N 6.11 0.42 -0.04 1.11 0.24 -1.26 -4.42 118.33 120.49 1ouj n VAL 121 Ca -0.01 -0.54 0.09 0.00 -2.04 0.00 0.00 64.34 61.85 1ouj n VAL 121 Cb 0.47 0.50 0.48 0.00 -1.47 0.00 0.00 33.84 33.81 1ouj n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ouj h ARG 122 N 2.93 0.44 -0.61 7.34 3.08 -1.92 -2.29 114.38 123.34 1ouj h ARG 122 Ca 0.00 -0.03 0.18 0.00 0.07 0.00 0.00 59.98 60.20 1ouj h ARG 122 Cb 0.65 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1ouj h ARG 122 CO 0.00 0.29 0.49 -0.56 -1.07 0.00 0.00 179.97 179.12 1ouj h GLN 123 N 0.45 0.00 0.00 0.04 3.07 -1.97 -1.46 115.11 115.24 1ouj h GLN 123 Ca 0.22 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.92 1ouj h GLN 123 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.86 1ouj h GLN 123 CO -0.06 0.00 -0.20 1.88 0.09 0.00 0.00 178.83 180.54 1ouj h TYR 124 N 0.00 0.00 -0.00 0.06 0.05 -1.75 -3.29 116.97 112.04 1ouj h TYR 124 Ca 0.29 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.07 1ouj h TYR 124 Cb 1.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.01 1ouj h TYR 124 CO 0.00 0.20 -0.08 1.33 -1.05 0.00 0.00 178.16 178.56 1ouj n VAL 125 N -3.38 0.00 -1.70 -2.88 0.24 -0.62 -4.84 118.33 105.15 1ouj n VAL 125 Ca 0.00 -0.46 -0.43 0.00 -2.04 0.00 0.00 64.34 61.41 1ouj n VAL 125 Cb 0.41 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.78 1ouj n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ouj n GLN 126 N -0.56 2.60 -1.00 7.34 1.13 -0.79 -2.13 117.38 123.97 1ouj n GLN 126 Ca 0.01 0.94 0.00 0.00 -1.94 0.00 0.00 57.00 56.01 1ouj n GLN 126 Cb 0.06 -2.77 0.00 0.00 0.11 0.00 0.00 30.24 27.64 1ouj n GLN 126 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ouj n GLY 127 N 3.85 0.78 0.14 1.08 0.00 -1.26 -4.92 105.19 104.87 1ouj n GLY 127 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1ouj n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ouj n GLY 129 N 1.40 0.11 0.06 0.00 0.00 -1.26 -4.83 105.19 100.67 1ouj n GLY 129 Ca 0.10 -0.34 0.01 0.00 0.00 0.00 0.00 46.02 45.79 1ouj n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65