#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwv s VAL 2 N 0.00 4.60 0.46 0.58 1.01 -1.26 -1.30 120.40 124.49 1iwv s VAL 2 Ca 0.00 -0.58 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 1iwv s VAL 2 Cb 0.00 -3.43 -0.08 0.00 0.00 0.00 0.00 36.38 32.88 1iwv s VAL 2 CO 0.00 -0.04 1.14 -0.36 0.00 0.00 0.00 175.10 175.84 1iwv s PHE 3 N 1.59 2.92 0.51 5.22 0.40 -0.27 -5.01 117.98 123.35 1iwv s PHE 3 Ca 0.04 1.55 -0.19 0.00 -0.60 0.00 0.00 56.93 57.73 1iwv s PHE 3 Cb -0.18 -3.32 -0.07 0.00 0.51 0.00 0.00 43.02 39.96 1iwv s PHE 3 CO 0.06 -1.35 1.05 -1.21 0.70 0.00 0.00 175.22 174.47 1iwv s GLU 4 N -2.74 3.69 0.09 0.44 2.02 -1.26 -4.85 118.70 116.09 1iwv s GLU 4 Ca 0.64 1.34 -0.27 0.00 0.02 0.00 0.00 54.97 56.69 1iwv s GLU 4 Cb -0.27 -2.08 -0.11 0.00 0.10 0.00 0.00 34.13 31.78 1iwv s GLU 4 CO 0.32 -0.52 1.44 -0.09 0.02 0.00 0.00 175.26 176.44 1iwv h ARG 5 N 1.33 -0.49 -0.26 1.61 2.43 -1.96 -1.23 114.38 115.81 1iwv h ARG 5 Ca -0.49 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 58.62 1iwv h ARG 5 Cb 1.22 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 1iwv h ARG 5 CO 0.59 -0.32 -0.24 0.00 -1.51 0.00 0.00 179.97 178.48 1iwv h GLU 7 N 0.44 0.52 -0.35 0.00 4.57 -1.88 -2.13 114.58 115.75 1iwv h GLU 7 Ca 0.07 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 1iwv h GLU 7 Cb 0.66 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1iwv h GLU 7 CO 0.05 0.34 0.07 1.25 -1.18 0.00 0.00 179.01 179.54 1iwv h LEU 8 N 0.54 0.54 -0.44 1.64 5.85 -0.75 -1.34 115.31 121.36 1iwv h LEU 8 Ca 0.25 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1iwv h LEU 8 Cb 0.16 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 1iwv h LEU 8 CO -0.18 0.66 0.07 0.00 -0.34 0.00 0.00 178.44 178.65 1iwv h ALA 9 N 0.91 0.47 -0.48 1.25 0.00 -1.10 0.57 119.26 120.87 1iwv h ALA 9 Ca 0.11 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1iwv h ALA 9 Cb 0.34 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1iwv h ALA 9 CO 0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 179.25 178.89 1iwv h ARG 10 N 0.20 0.83 -0.41 0.00 3.08 -1.27 -1.28 114.38 115.52 1iwv h ARG 10 Ca 0.22 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1iwv h ARG 10 Cb 0.28 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1iwv h ARG 10 CO -0.30 0.85 0.17 1.15 -1.07 0.00 0.00 179.97 180.77 1iwv h THR 11 N 0.76 1.20 -0.48 2.04 2.02 -0.33 -1.67 112.91 116.45 1iwv h THR 11 Ca 0.14 -0.60 -0.10 0.00 0.77 0.00 0.00 66.41 66.61 1iwv h THR 11 Cb 0.51 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1iwv h THR 11 CO 0.03 0.22 -0.12 -0.07 0.37 0.00 0.00 175.52 175.95 1iwv h LEU 12 N 0.52 0.88 -0.56 2.58 3.38 -0.79 -2.58 115.31 118.74 1iwv h LEU 12 Ca 0.14 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1iwv h LEU 12 Cb 0.19 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1iwv h LEU 12 CO -0.01 1.01 0.34 0.50 0.09 0.00 0.00 178.44 180.37 1iwv h LYS 13 N 0.79 0.75 0.00 1.13 3.64 -1.04 -2.01 116.57 119.84 1iwv h LYS 13 Ca 0.13 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1iwv h LYS 13 Cb 0.64 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1iwv h LYS 13 CO 0.04 0.54 -0.08 0.00 -2.27 0.00 0.00 179.45 177.69 1iwv h ARG 14 N 0.75 0.00 -0.29 1.90 3.08 -1.12 -1.59 114.38 117.11 1iwv h ARG 14 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1iwv h ARG 14 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1iwv h ARG 14 CO -0.04 0.08 0.00 1.28 -1.07 0.00 0.00 179.97 180.22 1iwv n LEU 15 N -4.32 1.75 0.00 3.04 4.77 -0.92 -4.92 117.00 116.38 1iwv n LEU 15 Ca -0.03 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1iwv n LEU 15 Cb 0.16 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1iwv n LEU 15 CO 0.34 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1iwv n GLY 16 N 1.06 0.47 0.19 -0.72 0.00 -0.60 -4.96 105.19 100.63 1iwv n GLY 16 Ca 0.13 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.35 1iwv n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1iwv h MET 17 N 0.00 0.00 -6.20 1.61 2.86 -1.56 -3.40 114.93 108.25 1iwv h MET 17 Ca 0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 1iwv h MET 17 Cb 0.31 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 1iwv h MET 17 CO 0.00 0.00 1.25 0.34 1.06 0.00 0.00 176.91 179.56 1iwv s ASP 18 N -5.82 5.72 0.00 1.22 2.15 -1.26 -2.29 116.67 116.39 1iwv s ASP 18 Ca 0.07 0.60 0.00 0.00 0.43 0.00 0.00 52.55 53.65 1iwv s ASP 18 Cb 0.07 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1iwv s ASP 18 CO 0.67 -1.97 0.00 0.61 -0.17 0.00 0.00 175.17 174.31 1iwv n GLY 19 N 5.48 0.67 3.69 2.66 0.00 0.73 -4.91 105.19 113.51 1iwv n GLY 19 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1iwv n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1iwv n TYR 20 N -2.64 2.59 -4.38 1.61 9.36 -0.97 -1.69 117.16 121.05 1iwv n TYR 20 Ca 0.00 -0.10 -0.36 0.00 3.32 0.00 0.00 57.90 60.76 1iwv n TYR 20 Cb 0.00 -2.71 -0.08 0.00 -0.63 0.00 0.00 39.34 35.92 1iwv n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1iwv n ARG 21 N 5.42 -1.17 -0.62 2.98 1.74 -1.26 -0.99 116.66 122.75 1iwv n ARG 21 Ca 0.18 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1iwv n ARG 21 Cb 0.36 -4.21 0.00 0.00 -1.02 0.00 0.00 32.46 27.59 1iwv n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iwv n GLY 22 N -1.85 0.85 3.48 -0.13 0.00 -0.68 -5.02 105.19 101.84 1iwv n GLY 22 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1iwv n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iwv s ILE 23 N -3.26 5.13 0.74 -0.61 1.01 -0.16 -4.90 121.20 119.15 1iwv s ILE 23 Ca 0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.05 1iwv s ILE 23 Cb 0.00 -3.73 0.05 0.00 0.01 0.00 0.00 42.46 38.78 1iwv s ILE 23 CO 0.00 -0.13 1.18 -0.94 0.00 0.00 0.00 174.94 175.05 1iwv s SER 24 N 1.68 4.19 0.27 3.58 1.04 -1.26 -0.19 113.70 123.00 1iwv s SER 24 Ca 0.05 2.25 -0.01 0.00 0.48 0.00 0.00 55.95 58.73 1iwv s SER 24 Cb -0.18 -2.58 0.48 0.00 0.10 0.00 0.00 66.02 63.84 1iwv s SER 24 CO 0.09 -2.26 1.86 -0.07 0.98 0.00 0.00 173.24 173.84 1iwv h LEU 25 N -0.49 0.99 -1.28 2.42 3.38 -1.91 -1.80 115.31 116.61 1iwv h LEU 25 Ca -0.47 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 1iwv h LEU 25 Cb 1.28 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1iwv h LEU 25 CO 0.49 0.58 0.04 0.00 0.09 0.00 0.00 178.44 179.65 1iwv h ALA 26 N 1.50 1.42 -0.74 1.53 0.00 -1.91 0.33 119.26 121.38 1iwv h ALA 26 Ca 0.46 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1iwv h ALA 26 Cb 0.32 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1iwv h ALA 26 CO -0.22 0.41 0.35 -0.91 0.00 0.00 0.00 179.25 178.89 1iwv h ASN 27 N 0.52 0.97 -0.28 0.00 2.35 -1.66 -0.41 115.58 117.07 1iwv h ASN 27 Ca 0.12 -0.14 -0.12 0.00 -0.55 0.00 0.00 56.30 55.61 1iwv h ASN 27 Cb 0.27 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1iwv h ASN 27 CO 0.00 0.84 -0.25 -0.50 -1.65 0.00 0.00 177.43 175.87 1iwv h TRP 28 N 1.04 0.88 -0.07 1.19 4.06 -1.00 -0.93 115.95 121.13 1iwv h TRP 28 Ca 0.25 -0.21 -0.00 0.00 2.06 0.00 0.00 58.89 60.99 1iwv h TRP 28 Cb 0.12 -0.21 -0.00 0.00 -1.00 0.00 0.00 29.16 28.07 1iwv h TRP 28 CO 0.01 0.94 0.03 0.52 -3.56 0.00 0.00 178.44 176.38 1iwv h MET 29 N 0.67 0.10 -0.91 0.49 2.86 -0.81 -1.06 114.93 116.26 1iwv h MET 29 Ca 0.09 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.79 1iwv h MET 29 Cb 0.77 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.34 1iwv h MET 29 CO 0.06 0.21 0.57 0.00 1.06 0.00 0.00 176.91 178.81 1iwv h LEU 31 N 0.98 -0.24 -1.15 0.00 5.85 -0.96 -2.26 115.31 117.53 1iwv h LEU 31 Ca 0.42 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 59.07 1iwv h LEU 31 Cb 0.27 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1iwv h LEU 31 CO -0.21 -0.12 0.25 0.00 -0.34 0.00 0.00 178.44 178.03 1iwv h ALA 32 N 0.43 1.33 -0.20 1.25 0.00 -0.78 0.29 119.26 121.59 1iwv h ALA 32 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1iwv h ALA 32 Cb 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1iwv h ALA 32 CO 0.05 0.51 0.13 -0.22 0.00 0.00 0.00 179.25 179.72 1iwv h LYS 33 N 0.84 0.27 0.02 0.00 3.11 -0.63 -1.82 116.57 118.36 1iwv h LYS 33 Ca 0.20 -0.02 -0.26 0.00 -2.81 0.00 0.00 60.65 57.76 1iwv h LYS 33 Cb 0.14 -0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 31.27 1iwv h LYS 33 CO -0.02 0.18 -1.43 -1.49 -2.81 0.00 0.00 179.45 173.88 1iwv h TRP 34 N 0.27 0.06 -0.13 1.91 4.06 -1.21 -0.15 115.95 120.76 1iwv h TRP 34 Ca 0.07 -0.04 -0.01 0.00 2.06 0.00 0.00 58.89 60.97 1iwv h TRP 34 Cb -0.03 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 1iwv h TRP 34 CO -0.06 1.06 0.04 0.93 -3.56 0.00 0.00 178.44 176.85 1iwv h GLU 35 N 0.01 0.21 0.00 0.49 4.39 -0.96 -3.42 114.58 115.30 1iwv h GLU 35 Ca -0.18 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1iwv h GLU 35 Cb 1.92 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.54 1iwv h GLU 35 CO 0.11 0.33 0.00 -1.13 -1.16 0.00 0.00 179.01 177.16 1iwv n SER 36 N -4.87 0.06 -2.15 1.42 3.41 -0.71 -4.84 113.62 105.94 1iwv n SER 36 Ca -0.05 -0.45 -0.17 0.00 -0.26 0.00 0.00 58.87 57.94 1iwv n SER 36 Cb 0.14 0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.18 1iwv n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iwv n GLY 37 N 0.08 -0.31 2.37 5.00 0.00 -0.07 -2.61 105.19 109.66 1iwv n GLY 37 Ca 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 1iwv n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1iwv n TYR 38 N -4.12 -0.88 -3.85 1.61 4.01 -1.12 -4.76 117.16 108.05 1iwv n TYR 38 Ca -0.16 0.12 -0.36 0.00 -0.16 0.00 0.00 57.90 57.34 1iwv n TYR 38 Cb 0.63 -3.10 -0.13 0.00 -0.31 0.00 0.00 39.34 36.43 1iwv n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1iwv s ASN 39 N -2.52 4.69 0.41 7.72 2.47 -1.07 -1.11 114.94 125.53 1iwv s ASN 39 Ca 0.07 -0.65 0.22 0.00 0.42 0.00 0.00 52.86 52.92 1iwv s ASN 39 Cb -0.03 -1.79 0.68 0.00 -1.45 0.00 0.00 41.25 38.66 1iwv s ASN 39 CO 0.08 -0.12 1.72 0.71 -3.72 0.00 0.00 177.10 175.77 1iwv h THR 40 N 5.89 0.57 -0.01 -5.21 1.35 -1.51 -3.14 112.91 110.84 1iwv h THR 40 Ca -0.35 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.16 1iwv h THR 40 Cb 1.13 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.49 1iwv h THR 40 CO 0.59 0.26 -0.33 -2.11 -0.25 0.00 0.00 175.52 173.68 1iwv n ARG 41 N -3.32 1.10 -1.70 4.72 1.85 -1.26 -4.16 116.66 113.88 1iwv n ARG 41 Ca 0.01 -0.79 -0.43 0.00 -1.00 0.00 0.00 57.85 55.64 1iwv n ARG 41 Cb 0.51 -1.48 -0.03 0.00 -1.05 0.00 0.00 32.46 30.40 1iwv n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1iwv n ALA 42 N -0.26 2.45 -2.37 2.89 0.00 -1.24 -4.77 120.51 117.21 1iwv n ALA 42 Ca 0.11 0.38 -0.29 0.00 0.00 0.00 0.00 53.44 53.64 1iwv n ALA 42 Cb 0.41 -2.52 -0.14 0.00 0.00 0.00 0.00 19.45 17.20 1iwv n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1iwv s THR 43 N 1.57 2.10 -0.10 0.00 -4.23 -1.26 0.13 115.64 113.85 1iwv s THR 43 Ca 0.78 -1.43 -0.01 0.00 -1.18 0.00 0.00 61.69 59.84 1iwv s THR 43 Cb -0.53 -1.81 0.03 0.00 1.34 0.00 0.00 72.50 71.53 1iwv s THR 43 CO 0.35 0.29 -0.01 0.20 -0.54 0.00 0.00 174.62 174.91 1iwv s ASN 44 N -1.38 1.88 0.05 3.99 0.01 -0.24 -4.97 114.94 114.27 1iwv s ASN 44 Ca 0.12 -0.22 -0.25 0.00 -0.71 0.00 0.00 52.86 51.79 1iwv s ASN 44 Cb -0.10 -0.55 -0.06 0.00 0.41 0.00 0.00 41.25 40.96 1iwv s ASN 44 CO 0.03 -0.19 0.77 -0.47 -1.51 0.00 0.00 177.10 175.72 1iwv s TYR 45 N 1.90 3.74 -0.64 2.20 5.04 -1.26 -0.55 117.35 127.78 1iwv s TYR 45 Ca 0.04 1.48 -0.09 0.00 -2.44 0.00 0.00 57.07 56.06 1iwv s TYR 45 Cb -0.13 -2.82 0.17 0.00 0.35 0.00 0.00 41.96 39.53 1iwv s TYR 45 CO -0.06 0.28 0.53 -0.80 -1.34 0.00 0.00 175.55 174.16 1iwv s ASN 46 N -0.09 5.96 0.46 4.32 0.01 -0.04 -4.93 114.94 120.63 1iwv s ASN 46 Ca 0.38 -2.45 0.16 0.00 -0.71 0.00 0.00 52.86 50.24 1iwv s ASN 46 Cb -0.21 -2.05 1.11 0.00 0.41 0.00 0.00 41.25 40.52 1iwv s ASN 46 CO 0.23 -0.57 1.99 0.00 -1.51 0.00 0.00 177.10 177.24 1iwv h ALA 47 N 7.83 2.11 -0.60 0.60 0.00 -1.95 0.93 119.26 128.17 1iwv h ALA 47 Ca -0.05 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1iwv h ALA 47 Cb 1.03 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1iwv h ALA 47 CO 0.79 -0.24 0.25 0.78 0.00 0.00 0.00 179.25 180.83 1iwv h GLY 48 N 0.31 0.85 0.00 0.00 0.00 -1.94 -3.29 103.07 98.99 1iwv h GLY 48 Ca 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1iwv h GLY 48 CO -0.06 0.02 0.00 2.09 0.00 0.00 0.00 176.54 178.59 1iwv n ASP 49 N -4.96 1.44 -0.35 0.19 5.75 -1.00 -5.01 116.55 112.61 1iwv n ASP 49 Ca 0.08 -1.66 -0.05 0.00 -0.01 0.00 0.00 54.79 53.15 1iwv n ASP 49 Cb 0.25 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.32 1iwv n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1iwv n ARG 50 N -0.33 -1.03 -2.74 0.11 1.74 0.29 -4.79 116.66 109.90 1iwv n ARG 50 Ca 0.00 0.53 -0.20 0.00 -0.77 0.00 0.00 57.85 57.41 1iwv n ARG 50 Cb 0.27 -4.45 0.03 0.00 -1.02 0.00 0.00 32.46 27.30 1iwv n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1iwv s SER 51 N -2.33 5.34 0.03 0.55 1.04 -1.21 -4.49 113.70 112.63 1iwv s SER 51 Ca 0.00 -0.16 0.03 0.00 0.48 0.00 0.00 55.95 56.30 1iwv s SER 51 Cb 0.00 -0.75 -0.02 0.00 0.10 0.00 0.00 66.02 65.35 1iwv s SER 51 CO 0.00 -1.07 -0.09 -0.89 0.98 0.00 0.00 173.24 172.17 1iwv s THR 52 N -2.66 0.65 -0.12 2.02 2.01 -1.26 -0.86 115.64 115.41 1iwv s THR 52 Ca 0.57 -0.83 -0.07 0.00 0.31 0.00 0.00 61.69 61.68 1iwv s THR 52 Cb -0.10 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 1iwv s THR 52 CO 0.37 -0.15 0.13 -1.81 -0.69 0.00 0.00 174.62 172.47 1iwv s ASP 53 N -1.07 6.29 -0.08 3.53 1.01 0.29 -1.34 116.67 125.31 1iwv s ASP 53 Ca -0.04 0.43 0.03 0.00 0.71 0.00 0.00 52.55 53.68 1iwv s ASP 53 Cb -0.07 -2.03 0.01 0.00 1.01 0.00 0.00 42.92 41.84 1iwv s ASP 53 CO 0.00 0.39 -0.15 -0.31 0.21 0.00 0.00 175.17 175.32 1iwv s TYR 54 N -0.92 1.76 0.00 4.23 1.51 -0.21 -1.08 117.35 122.63 1iwv s TYR 54 Ca 0.14 -0.70 0.00 0.00 -1.01 0.00 0.00 57.07 55.50 1iwv s TYR 54 Cb -0.12 -1.26 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 1iwv s TYR 54 CO 0.03 -0.34 0.00 0.41 -1.11 0.00 0.00 175.55 174.55 1iwv n GLY 55 N 3.82 -1.58 0.20 0.71 0.00 0.12 -1.80 105.19 106.65 1iwv n GLY 55 Ca -0.21 -1.32 0.04 0.00 0.00 0.00 0.00 46.02 44.52 1iwv n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1iwv h ILE 56 N 0.00 1.13 -0.03 -0.61 2.10 -1.71 -1.95 117.51 116.45 1iwv h ILE 56 Ca 0.00 -1.17 0.00 0.00 1.08 0.00 0.00 64.86 64.77 1iwv h ILE 56 Cb 0.00 1.65 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 1iwv h ILE 56 CO 0.00 0.32 -0.05 0.49 -1.08 0.00 0.00 178.15 177.83 1iwv n PHE 57 N -3.99 0.00 -3.63 2.19 3.72 -1.26 -4.07 117.46 110.42 1iwv n PHE 57 Ca -0.02 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.10 1iwv n PHE 57 Cb 0.38 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.97 1iwv n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1iwv n GLN 58 N 1.06 -1.73 -2.83 -1.08 1.13 -0.73 -4.92 117.38 108.27 1iwv n GLN 58 Ca 0.12 0.52 -0.41 0.00 -1.94 0.00 0.00 57.00 55.30 1iwv n GLN 58 Cb 0.52 -4.46 -0.04 0.00 0.11 0.00 0.00 30.24 26.37 1iwv n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1iwv s ILE 59 N -3.49 4.77 0.12 5.09 1.01 -0.75 -4.42 121.20 123.52 1iwv s ILE 59 Ca 0.42 1.86 -0.19 0.00 0.00 0.00 0.00 60.65 62.74 1iwv s ILE 59 Cb -0.13 -4.23 -0.07 0.00 0.01 0.00 0.00 42.46 38.04 1iwv s ILE 59 CO 0.84 0.27 0.60 0.21 0.00 0.00 0.00 174.94 176.86 1iwv s ASN 60 N 0.45 7.04 0.31 3.58 3.84 -1.26 -1.04 114.94 127.85 1iwv s ASN 60 Ca 0.45 1.27 0.26 0.00 0.21 0.00 0.00 52.86 55.05 1iwv s ASN 60 Cb -0.21 -2.36 0.93 0.00 -0.55 0.00 0.00 41.25 39.06 1iwv s ASN 60 CO 0.26 0.20 1.77 0.77 -2.79 0.00 0.00 177.10 177.30 1iwv h SER 61 N 4.15 0.00 0.04 -4.21 4.64 -1.45 -2.61 113.55 114.10 1iwv h SER 61 Ca -0.49 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.68 1iwv h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1iwv h SER 61 CO 0.64 0.00 -0.50 -0.09 -0.87 0.00 0.00 176.83 176.01 1iwv h ARG 62 N 0.00 0.52 0.00 4.77 2.43 -1.83 -3.38 114.38 116.89 1iwv h ARG 62 Ca 0.00 -0.31 -0.05 0.00 -0.81 0.00 0.00 59.98 58.82 1iwv h ARG 62 Cb 0.57 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1iwv h ARG 62 CO 0.00 0.90 -1.26 0.98 -1.51 0.00 0.00 179.97 179.08 1iwv n TYR 63 N -3.97 0.00 -0.07 2.20 4.19 -1.23 -0.95 117.16 117.32 1iwv n TYR 63 Ca -0.03 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.09 1iwv n TYR 63 Cb 0.57 -0.17 -0.08 0.00 0.49 0.00 0.00 39.34 40.15 1iwv n TYR 63 CO 0.00 0.00 0.00 0.91 0.91 0.00 0.00 176.86 178.68 1iwv n TRP 64 N -1.96 0.00 -4.08 2.98 7.02 -0.99 -1.12 117.44 119.30 1iwv n TRP 64 Ca -0.04 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.36 1iwv n TRP 64 Cb 0.43 -0.63 -0.10 0.00 -2.42 0.00 0.00 31.31 28.60 1iwv n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1iwv s ASN 66 N -2.83 6.19 0.00 0.00 2.47 -0.41 -4.56 114.94 115.80 1iwv s ASN 66 Ca 0.06 0.21 0.07 0.00 0.42 0.00 0.00 52.86 53.62 1iwv s ASN 66 Cb 0.07 -2.15 0.10 0.00 -1.45 0.00 0.00 41.25 37.81 1iwv s ASN 66 CO -0.09 -0.03 0.86 -0.90 -3.72 0.00 0.00 177.10 173.21 1iwv n ASP 67 N 4.65 1.90 0.00 -4.21 5.68 -1.26 -1.07 116.55 122.24 1iwv n ASP 67 Ca -0.12 -1.50 0.00 0.00 -0.50 0.00 0.00 54.79 52.67 1iwv n ASP 67 Cb 0.52 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1iwv n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iwv n GLY 68 N 0.36 2.87 0.25 6.12 0.00 -1.26 -4.75 105.19 108.79 1iwv n GLY 68 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 1iwv n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1iwv n LYS 69 N -1.35 1.98 -3.62 1.61 2.85 -1.26 -4.94 118.16 113.43 1iwv n LYS 69 Ca 0.00 -1.46 -0.39 0.00 -1.05 0.00 0.00 58.31 55.41 1iwv n LYS 69 Cb 0.00 -1.11 -0.11 0.00 -0.65 0.00 0.00 35.03 33.16 1iwv n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1iwv s THR 70 N -0.82 4.81 0.26 0.58 2.01 -1.26 -4.93 115.64 116.29 1iwv s THR 70 Ca 0.09 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 1iwv s THR 70 Cb 0.05 -3.45 -0.10 0.00 0.01 0.00 0.00 72.50 69.01 1iwv s THR 70 CO 0.07 0.05 1.30 -2.16 -0.69 0.00 0.00 174.62 173.19 1iwv s PRO 71 N 1.65 4.39 0.00 4.92 0.04 -1.26 -2.64 135.00 142.09 1iwv s PRO 71 Ca 0.05 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1iwv s PRO 71 Cb -0.17 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1iwv s PRO 71 CO 0.08 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.32 1iwv n GLY 72 N 1.69 0.51 3.81 0.56 0.00 -1.26 -4.96 105.19 105.54 1iwv n GLY 72 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1iwv n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iwv s ALA 73 N -2.29 2.68 0.45 4.61 0.00 -1.08 -5.04 121.76 121.09 1iwv s ALA 73 Ca 0.00 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.20 1iwv s ALA 73 Cb 0.00 -3.21 -0.00 0.00 0.00 0.00 0.00 23.12 19.91 1iwv s ALA 73 CO 0.00 -1.07 0.03 1.33 0.00 0.00 0.00 175.76 176.05 1iwv n VAL 74 N -2.66 0.00 -3.15 0.00 0.24 -0.13 -5.01 118.33 107.62 1iwv n VAL 74 Ca 0.08 -2.22 -0.22 0.00 -2.04 0.00 0.00 64.34 59.93 1iwv n VAL 74 Cb 0.53 0.52 -0.06 0.00 -1.47 0.00 0.00 33.84 33.36 1iwv n VAL 74 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1iwv n ASN 75 N -1.34 -0.21 0.21 -1.34 5.15 -1.21 -3.51 115.26 113.02 1iwv n ASN 75 Ca -0.17 -2.74 0.07 0.00 -0.60 0.00 0.00 54.58 51.14 1iwv n ASN 75 Cb 0.59 -0.36 0.48 0.00 -0.53 0.00 0.00 39.78 39.97 1iwv n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1iwv h ALA 76 N 4.08 1.26 0.00 5.20 0.00 -1.10 -0.80 119.26 127.90 1iwv h ALA 76 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1iwv h ALA 76 Cb 0.90 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1iwv h ALA 76 CO 0.44 0.34 0.00 0.00 0.00 0.00 0.00 179.25 180.03 1iwv n HIS 78 N -1.15 -1.43 -3.97 0.00 1.44 -0.31 -4.95 115.22 104.85 1iwv n HIS 78 Ca 0.18 0.13 -0.09 0.00 -2.01 0.00 0.00 57.72 55.93 1iwv n HIS 78 Cb 0.17 -2.74 -0.11 0.00 0.12 0.00 0.00 29.99 27.43 1iwv n HIS 78 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1iwv s LEU 79 N -7.23 2.16 0.36 2.39 1.43 -1.26 -5.07 118.68 111.47 1iwv s LEU 79 Ca 0.44 -0.51 -0.28 0.00 -1.03 0.00 0.00 54.13 52.76 1iwv s LEU 79 Cb -0.25 0.19 -0.10 0.00 0.03 0.00 0.00 46.19 46.07 1iwv s LEU 79 CO 0.97 -0.34 1.36 -0.55 0.23 0.00 0.00 176.35 178.02 1iwv s SER 80 N -1.59 6.53 0.61 2.29 0.15 -1.26 -1.28 113.70 119.14 1iwv s SER 80 Ca -0.14 2.79 0.32 0.00 0.70 0.00 0.00 55.95 59.62 1iwv s SER 80 Cb -0.08 -2.65 1.81 0.00 -1.71 0.00 0.00 66.02 63.38 1iwv s SER 80 CO -0.02 -0.72 2.14 0.00 1.20 0.00 0.00 173.24 175.85 1iwv h SER 82 N 0.00 0.54 0.05 0.00 0.87 -1.90 -1.03 113.55 112.08 1iwv h SER 82 Ca 0.05 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1iwv h SER 82 Cb 0.37 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1iwv h SER 82 CO -0.00 0.26 -0.01 0.00 -0.53 0.00 0.00 176.83 176.54 1iwv h ALA 83 N 1.61 1.40 -0.40 6.23 0.00 -1.32 -1.77 119.26 125.02 1iwv h ALA 83 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1iwv h ALA 83 Cb 0.87 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1iwv h ALA 83 CO -0.19 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.36 1iwv n LEU 84 N -3.68 2.45 -0.05 0.00 4.77 -0.39 -3.60 117.00 116.50 1iwv n LEU 84 Ca -0.03 -1.23 0.04 0.00 -0.03 0.00 0.00 56.01 54.76 1iwv n LEU 84 Cb 0.10 -0.33 0.06 0.00 -2.33 0.00 0.00 43.42 40.92 1iwv n LEU 84 CO 0.26 0.54 0.53 0.18 -1.33 0.00 0.00 177.39 177.58 1iwv n LEU 85 N 0.67 2.17 -4.82 2.23 4.77 -0.66 -3.50 117.00 117.86 1iwv n LEU 85 Ca 0.14 -2.41 -0.33 0.00 -0.03 0.00 0.00 56.01 53.39 1iwv n LEU 85 Cb 0.42 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1iwv n LEU 85 CO 0.11 0.58 0.70 -1.10 -1.33 0.00 0.00 177.39 176.35 1iwv s GLN 86 N -1.71 3.73 0.25 3.23 -0.21 -1.24 -4.54 119.66 119.18 1iwv s GLN 86 Ca 0.13 1.15 -0.01 0.00 0.02 0.00 0.00 55.36 56.65 1iwv s GLN 86 Cb 0.11 -2.10 0.32 0.00 1.00 0.00 0.00 33.01 32.35 1iwv s GLN 86 CO 0.02 -0.46 1.70 -0.44 -2.12 0.00 0.00 175.29 173.98 1iwv h ASP 87 N 1.00 0.63 -3.11 5.90 5.19 -1.94 -3.41 116.42 120.69 1iwv h ASP 87 Ca -0.48 -0.21 -0.58 0.00 -0.62 0.00 0.00 57.03 55.15 1iwv h ASP 87 Cb 1.20 -0.17 -0.06 0.00 0.18 0.00 0.00 39.33 40.48 1iwv h ASP 87 CO 0.59 0.83 0.76 0.21 -3.12 0.00 0.00 179.24 178.52 1iwv s ASN 88 N -6.76 7.10 -0.10 6.45 3.84 -1.26 -4.89 114.94 119.32 1iwv s ASN 88 Ca -0.08 1.38 0.14 0.00 0.21 0.00 0.00 52.86 54.51 1iwv s ASN 88 Cb 0.14 -2.54 0.58 0.00 -0.55 0.00 0.00 41.25 38.88 1iwv s ASN 88 CO 0.81 -0.64 1.45 2.30 -2.79 0.00 0.00 177.10 178.23 1iwv n ILE 89 N 5.25 1.49 -0.12 -5.21 -5.35 -1.26 -4.46 119.36 109.69 1iwv n ILE 89 Ca 0.11 -0.94 -0.06 0.00 -0.27 0.00 0.00 62.75 61.59 1iwv n ILE 89 Cb 0.46 0.02 0.02 0.00 -1.74 0.00 0.00 39.64 38.40 1iwv n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1iwv h ALA 90 N 3.80 0.47 -0.36 -1.28 0.00 -1.95 0.43 119.26 120.37 1iwv h ALA 90 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1iwv h ALA 90 Cb 1.23 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1iwv h ALA 90 CO 0.20 -0.20 -0.20 -0.44 0.00 0.00 0.00 179.25 178.61 1iwv h ASP 91 N 0.36 0.69 -0.67 0.00 3.32 -1.87 -0.95 116.42 117.30 1iwv h ASP 91 Ca 0.17 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1iwv h ASP 91 Cb 0.10 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1iwv h ASP 91 CO -0.13 0.88 0.23 0.00 -1.72 0.00 0.00 179.24 178.50 1iwv h ALA 92 N 1.17 0.88 -0.43 3.45 0.00 -1.68 -1.24 119.26 121.40 1iwv h ALA 92 Ca 0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1iwv h ALA 92 Cb 0.67 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1iwv h ALA 92 CO 0.05 0.53 0.11 0.28 0.00 0.00 0.00 179.25 180.22 1iwv h VAL 93 N 0.97 1.23 -0.88 0.00 2.07 -0.53 0.91 116.25 120.01 1iwv h VAL 93 Ca 0.22 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.98 1iwv h VAL 93 Cb 0.27 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1iwv h VAL 93 CO -0.01 0.28 0.58 0.00 0.02 0.00 0.00 177.57 178.44 1iwv h ALA 94 N 0.96 1.47 -0.13 1.67 0.00 -0.95 0.72 119.26 123.00 1iwv h ALA 94 Ca 0.14 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.78 1iwv h ALA 94 Cb 0.32 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1iwv h ALA 94 CO 0.00 0.43 -0.83 0.00 0.00 0.00 0.00 179.25 178.85 1iwv h ALA 96 N 0.52 1.33 -0.80 0.00 0.00 -0.44 -0.55 119.26 119.33 1iwv h ALA 96 Ca -0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1iwv h ALA 96 Cb 1.46 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1iwv h ALA 96 CO 0.17 0.49 0.36 0.87 0.00 0.00 0.00 179.25 181.13 1iwv h LYS 97 N 1.21 1.16 -0.46 0.00 1.57 -0.73 -2.62 116.57 116.70 1iwv h LYS 97 Ca 0.41 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1iwv h LYS 97 Cb 0.07 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1iwv h LYS 97 CO -0.15 0.91 0.24 -0.09 -0.57 0.00 0.00 179.45 179.80 1iwv h ARG 98 N 1.14 0.65 -0.33 3.15 9.65 -0.53 -2.26 114.38 125.85 1iwv h ARG 98 Ca 0.27 -0.08 0.07 0.00 -1.10 0.00 0.00 59.98 59.14 1iwv h ARG 98 Cb 0.15 -0.12 -0.07 0.00 -1.39 0.00 0.00 29.97 28.54 1iwv h ARG 98 CO -0.03 0.52 -0.13 0.28 2.80 0.00 0.00 179.97 183.41 1iwv h VAL 99 N 0.60 0.56 -0.00 0.20 2.07 -0.96 -2.34 116.25 116.38 1iwv h VAL 99 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1iwv h VAL 99 Cb 0.07 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1iwv h VAL 99 CO -0.02 0.00 -0.00 1.33 0.02 0.00 0.00 177.57 178.89 1iwv n VAL 100 N -5.32 0.00 0.57 2.57 0.24 -1.01 -1.79 118.33 113.59 1iwv n VAL 100 Ca 0.01 -0.03 0.13 0.00 -2.04 0.00 0.00 64.34 62.41 1iwv n VAL 100 Cb 0.23 -0.39 0.43 0.00 -1.47 0.00 0.00 33.84 32.65 1iwv n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1iwv n ARG 101 N -0.88 0.24 -1.92 7.34 1.74 -0.88 -4.34 116.66 117.97 1iwv n ARG 101 Ca 0.23 0.27 -0.30 0.00 -0.77 0.00 0.00 57.85 57.28 1iwv n ARG 101 Cb 0.14 -1.82 0.02 0.00 -1.02 0.00 0.00 32.46 29.78 1iwv n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1iwv s ASP 102 N -4.44 5.98 0.29 0.55 1.11 -0.74 -4.97 116.67 114.44 1iwv s ASP 102 Ca 0.09 1.30 0.04 0.00 0.18 0.00 0.00 52.55 54.15 1iwv s ASP 102 Cb 0.12 -2.28 0.68 0.00 1.07 0.00 0.00 42.92 42.50 1iwv s ASP 102 CO 0.54 -1.01 1.77 -0.65 1.18 0.00 0.00 175.17 177.01 1iwv h PRO 103 N -0.40 0.70 0.00 8.23 0.11 -1.87 -1.79 132.00 136.98 1iwv h PRO 103 Ca -0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1iwv h PRO 103 Cb 1.21 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1iwv h PRO 103 CO 0.63 0.46 -0.06 1.96 -0.21 0.00 0.00 178.00 180.78 1iwv h GLN 104 N 0.72 0.00 0.00 1.05 4.20 -1.91 -3.48 115.11 115.69 1iwv h GLN 104 Ca 0.55 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.26 1iwv h GLN 104 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1iwv h GLN 104 CO -0.38 0.06 0.00 0.41 -0.67 0.00 0.00 178.83 178.25 1iwv n GLY 105 N -0.44 2.95 0.13 3.46 0.00 -0.68 -1.85 105.19 108.76 1iwv n GLY 105 Ca -0.01 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.91 1iwv n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1iwv n ILE 106 N 0.00 0.85 0.25 -0.61 3.06 -1.26 -1.69 119.36 119.96 1iwv n ILE 106 Ca 0.00 0.26 0.04 0.00 -2.50 0.00 0.00 62.75 60.56 1iwv n ILE 106 Cb 0.00 -1.19 0.20 0.00 0.54 0.00 0.00 39.64 39.18 1iwv n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1iwv n ARG 107 N -2.21 0.02 -0.19 9.51 1.74 -0.77 -2.53 116.66 122.23 1iwv n ARG 107 Ca 0.02 0.39 0.14 0.00 -0.77 0.00 0.00 57.85 57.63 1iwv n ARG 107 Cb 0.21 -1.55 0.46 0.00 -1.02 0.00 0.00 32.46 30.57 1iwv n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iwv h ALA 108 N 2.23 2.02 -2.30 7.54 0.00 -1.48 -3.37 119.26 123.90 1iwv h ALA 108 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 1iwv h ALA 108 Cb 0.13 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 17.71 1iwv h ALA 108 CO 0.00 -0.23 0.22 -1.58 0.00 0.00 0.00 179.25 177.66 1iwv s TRP 109 N -5.49 3.16 0.37 0.00 0.51 -1.05 -4.96 118.94 111.48 1iwv s TRP 109 Ca -0.09 0.49 0.06 0.00 -2.12 0.00 0.00 56.10 54.45 1iwv s TRP 109 Cb 0.21 -3.18 0.76 0.00 -0.81 0.00 0.00 33.47 30.46 1iwv s TRP 109 CO 0.77 -0.62 1.96 0.28 -0.51 0.00 0.00 176.95 178.84 1iwv h VAL 110 N 5.66 1.01 -0.17 4.03 2.07 -1.88 -1.62 116.25 125.36 1iwv h VAL 110 Ca -0.26 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1iwv h VAL 110 Cb 1.11 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1iwv h VAL 110 CO 0.85 0.13 0.08 0.00 0.02 0.00 0.00 177.57 178.66 1iwv h ALA 111 N 1.62 1.84 -0.38 1.67 0.00 -1.94 -1.00 119.26 121.06 1iwv h ALA 111 Ca 0.31 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1iwv h ALA 111 Cb 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1iwv h ALA 111 CO -0.10 0.14 0.03 2.35 0.00 0.00 0.00 179.25 181.67 1iwv h TRP 112 N 0.23 0.71 -0.67 0.00 7.01 -1.61 -0.03 115.95 121.59 1iwv h TRP 112 Ca 0.06 -0.11 0.01 0.00 2.11 0.00 0.00 58.89 60.96 1iwv h TRP 112 Cb 0.02 -0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 26.86 1iwv h TRP 112 CO 0.00 0.72 0.44 0.00 -2.79 0.00 0.00 178.44 176.81 1iwv h ARG 113 N 0.48 0.86 -0.34 2.65 3.08 -1.24 0.57 114.38 120.44 1iwv h ARG 113 Ca 0.11 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 1iwv h ARG 113 Cb 0.43 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1iwv h ARG 113 CO 0.01 0.57 -0.22 -0.91 -1.07 0.00 0.00 179.97 178.36 1iwv h ASN 114 N 0.88 0.77 0.00 7.04 2.35 -1.02 -3.35 115.58 122.25 1iwv h ASN 114 Ca 0.25 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1iwv h ASN 114 Cb -0.07 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.08 1iwv h ASN 114 CO -0.07 1.03 -0.51 0.54 -1.65 0.00 0.00 177.43 176.78 1iwv n ARG 115 N -4.28 3.93 0.00 0.81 5.12 -0.04 -4.85 116.66 117.34 1iwv n ARG 115 Ca -0.03 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 1iwv n ARG 115 Cb 0.43 -0.85 0.00 0.00 -1.16 0.00 0.00 32.46 30.88 1iwv n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iwv n GLN 117 N -2.22 2.43 -1.43 0.00 7.27 -0.01 -2.34 117.38 121.08 1iwv n GLN 117 Ca 0.00 0.87 -0.15 0.00 0.07 0.00 0.00 57.00 57.79 1iwv n GLN 117 Cb 0.26 -2.62 -0.06 0.00 2.41 0.00 0.00 30.24 30.23 1iwv n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1iwv n ASN 118 N 2.70 -5.01 -4.74 1.69 3.02 -1.26 -4.95 115.26 106.71 1iwv n ASN 118 Ca 0.12 0.37 -0.23 0.00 -0.03 0.00 0.00 54.58 54.81 1iwv n ASN 118 Cb 0.33 -3.81 -0.06 0.00 -0.61 0.00 0.00 39.78 35.63 1iwv n ASN 118 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1iwv s ARG 119 N -3.21 2.34 -0.53 3.52 0.52 -0.99 -5.08 118.95 115.52 1iwv s ARG 119 Ca 0.00 -1.61 -0.25 0.00 -0.52 0.00 0.00 55.73 53.35 1iwv s ARG 119 Cb 0.00 -2.14 0.03 0.00 0.52 0.00 0.00 34.95 33.36 1iwv s ARG 119 CO 0.00 0.05 0.99 0.34 0.02 0.00 0.00 175.30 176.70 1iwv s ASP 120 N -3.87 6.41 -0.02 0.23 -1.08 -1.26 -4.88 116.67 112.20 1iwv s ASP 120 Ca 0.39 -0.11 0.15 0.00 -0.52 0.00 0.00 52.55 52.46 1iwv s ASP 120 Cb -0.01 -2.47 0.44 0.00 -1.46 0.00 0.00 42.92 39.43 1iwv s ASP 120 CO 0.23 -1.23 1.37 1.33 0.52 0.00 0.00 175.17 177.39 1iwv n VAL 121 N 6.37 1.15 0.26 1.11 0.24 -1.26 -4.65 118.33 121.56 1iwv n VAL 121 Ca 0.05 -1.07 0.12 0.00 -2.04 0.00 0.00 64.34 61.39 1iwv n VAL 121 Cb 0.48 0.42 0.76 0.00 -1.47 0.00 0.00 33.84 34.03 1iwv n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1iwv h ARG 122 N 2.78 0.00 -0.28 7.34 3.08 -1.94 -2.56 114.38 122.80 1iwv h ARG 122 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1iwv h ARG 122 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1iwv h ARG 122 CO 0.03 0.00 0.19 -0.56 -1.07 0.00 0.00 179.97 178.56 1iwv h GLN 123 N 0.00 0.25 0.00 0.04 3.07 -1.98 -2.70 115.11 113.79 1iwv h GLN 123 Ca 0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 1iwv h GLN 123 Cb 0.05 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 27.55 1iwv h GLN 123 CO -0.00 0.17 -0.00 1.88 0.09 0.00 0.00 178.83 180.97 1iwv h TYR 124 N 0.26 0.00 -0.09 0.06 0.05 -1.80 -2.76 116.97 112.69 1iwv h TYR 124 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1iwv h TYR 124 Cb 0.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.88 1iwv h TYR 124 CO -0.00 0.00 0.00 1.33 -1.05 0.00 0.00 178.16 178.44 1iwv n VAL 125 N -4.36 0.30 -1.70 -2.88 0.24 -1.03 -4.82 118.33 104.08 1iwv n VAL 125 Ca -0.03 -0.65 -0.43 0.00 -2.04 0.00 0.00 64.34 61.19 1iwv n VAL 125 Cb 0.09 0.98 -0.03 0.00 -1.47 0.00 0.00 33.84 33.41 1iwv n VAL 125 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1iwv n GLN 126 N 0.44 2.64 -0.98 7.34 -0.06 -1.04 -2.35 117.38 123.37 1iwv n GLN 126 Ca 0.06 0.95 0.00 0.00 -2.00 0.00 0.00 57.00 56.02 1iwv n GLN 126 Cb 0.27 -2.80 0.00 0.00 -4.06 0.00 0.00 30.24 23.65 1iwv n GLN 126 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1iwv n GLY 127 N 3.97 1.03 0.10 1.69 0.00 -1.26 -4.90 105.19 105.82 1iwv n GLY 127 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1iwv n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iwv n GLY 129 N 1.40 0.44 0.35 0.00 0.00 -1.26 -4.77 105.19 101.35 1iwv n GLY 129 Ca 0.10 -0.91 0.04 0.00 0.00 0.00 0.00 46.02 45.25 1iwv n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65