#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwz s VAL 2 N 0.00 5.04 0.52 0.58 1.01 -1.26 -1.22 120.40 125.07 1iwz s VAL 2 Ca 0.00 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 1iwz s VAL 2 Cb 0.00 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 1iwz s VAL 2 CO 0.00 -0.26 1.10 -0.36 0.00 0.00 0.00 175.10 175.59 1iwz s PHE 3 N 1.64 2.79 0.42 5.22 0.40 -0.25 -5.01 117.98 123.19 1iwz s PHE 3 Ca 0.04 1.56 -0.19 0.00 -0.60 0.00 0.00 56.93 57.73 1iwz s PHE 3 Cb -0.19 -3.23 -0.10 0.00 0.51 0.00 0.00 43.02 40.01 1iwz s PHE 3 CO 0.09 -1.33 0.91 -1.21 0.70 0.00 0.00 175.22 174.38 1iwz s GLU 4 N -3.20 4.15 0.12 0.44 2.02 -1.26 -4.86 118.70 116.11 1iwz s GLU 4 Ca 0.70 1.01 -0.34 0.00 0.02 0.00 0.00 54.97 56.36 1iwz s GLU 4 Cb -0.22 -2.23 -0.13 0.00 0.10 0.00 0.00 34.13 31.66 1iwz s GLU 4 CO 0.26 -0.02 1.56 -0.09 0.02 0.00 0.00 175.26 176.98 1iwz h ARG 5 N 1.87 -0.59 -0.10 1.61 2.43 -1.97 -0.85 114.38 116.79 1iwz h ARG 5 Ca -0.49 0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.56 1iwz h ARG 5 Cb 1.18 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 1iwz h ARG 5 CO 0.62 -0.39 -0.64 0.00 -1.51 0.00 0.00 179.97 178.05 1iwz h GLU 7 N 0.26 1.20 -0.12 0.00 4.57 -1.90 -1.96 114.58 116.64 1iwz h GLU 7 Ca -0.01 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1iwz h GLU 7 Cb 1.17 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 1iwz h GLU 7 CO 0.11 0.93 0.07 1.25 -1.18 0.00 0.00 179.01 180.19 1iwz h LEU 8 N 1.19 0.11 -0.72 1.64 5.85 -0.74 -1.26 115.31 121.38 1iwz h LEU 8 Ca 0.28 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 59.08 1iwz h LEU 8 Cb 0.13 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 1iwz h LEU 8 CO -0.03 0.09 0.39 0.00 -0.34 0.00 0.00 178.44 178.54 1iwz h ALA 9 N 1.05 1.00 -0.32 1.25 0.00 -0.90 -0.23 119.26 121.10 1iwz h ALA 9 Ca 0.04 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1iwz h ALA 9 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1iwz h ALA 9 CO -0.02 0.03 -0.42 0.00 0.00 0.00 0.00 179.25 178.84 1iwz h ARG 10 N 0.68 0.79 -0.44 0.00 3.08 -1.24 -1.77 114.38 115.48 1iwz h ARG 10 Ca 0.34 -0.42 0.06 0.00 0.07 0.00 0.00 59.98 60.03 1iwz h ARG 10 Cb 0.29 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 1iwz h ARG 10 CO -0.23 1.05 0.14 1.15 -1.07 0.00 0.00 179.97 181.01 1iwz h THR 11 N 0.64 0.83 -0.34 2.04 2.02 -0.62 -1.13 112.91 116.34 1iwz h THR 11 Ca 0.05 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 67.02 1iwz h THR 11 Cb 0.98 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1iwz h THR 11 CO 0.09 0.05 -0.23 -0.07 0.37 0.00 0.00 175.52 175.74 1iwz h LEU 12 N 0.30 0.67 -0.49 2.58 3.38 -0.99 -2.61 115.31 118.15 1iwz h LEU 12 Ca 0.21 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1iwz h LEU 12 Cb 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1iwz h LEU 12 CO -0.23 0.89 0.14 0.50 0.09 0.00 0.00 178.44 179.83 1iwz h LYS 13 N 0.59 0.77 -0.65 1.13 3.64 -1.05 -1.80 116.57 119.20 1iwz h LYS 13 Ca 0.08 -0.17 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1iwz h LYS 13 Cb 0.70 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 1iwz h LYS 13 CO 0.05 0.73 0.43 0.00 -2.27 0.00 0.00 179.45 178.39 1iwz h ARG 14 N 0.66 0.73 -0.30 1.90 3.08 -1.10 -2.29 114.38 117.07 1iwz h ARG 14 Ca 0.16 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1iwz h ARG 14 Cb 0.30 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1iwz h ARG 14 CO -0.00 0.49 0.00 1.28 -1.07 0.00 0.00 179.97 180.66 1iwz n LEU 15 N -4.46 1.54 0.00 3.04 4.77 -0.73 -4.91 117.00 116.25 1iwz n LEU 15 Ca 0.08 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1iwz n LEU 15 Cb 0.14 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1iwz n LEU 15 CO 0.35 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1iwz n GLY 16 N 0.91 0.54 0.14 -0.72 0.00 -0.86 -4.98 105.19 100.22 1iwz n GLY 16 Ca 0.09 -0.84 0.09 0.00 0.00 0.00 0.00 46.02 45.36 1iwz n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1iwz h MET 17 N 0.00 0.00 -6.26 1.61 2.86 -1.60 -3.40 114.93 108.14 1iwz h MET 17 Ca 0.00 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.08 1iwz h MET 17 Cb 0.59 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1iwz h MET 17 CO 0.00 0.10 1.17 0.34 1.06 0.00 0.00 176.91 179.58 1iwz s ASP 18 N -5.77 6.28 0.00 1.22 2.15 -1.26 -1.94 116.67 117.35 1iwz s ASP 18 Ca 0.02 1.72 0.00 0.00 0.43 0.00 0.00 52.55 54.72 1iwz s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1iwz s ASP 18 CO 0.76 -1.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.05 1iwz n GLY 19 N 4.78 0.50 3.66 2.66 0.00 0.12 -4.90 105.19 112.01 1iwz n GLY 19 Ca 0.20 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.76 1iwz n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1iwz n TYR 20 N -2.67 2.33 -4.26 1.61 9.36 -0.82 -1.53 117.16 121.18 1iwz n TYR 20 Ca 0.00 -0.14 -0.36 0.00 3.32 0.00 0.00 57.90 60.72 1iwz n TYR 20 Cb 0.06 -2.72 -0.04 0.00 -0.63 0.00 0.00 39.34 36.02 1iwz n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1iwz n ARG 21 N 7.27 -2.59 -0.74 2.98 1.74 -1.26 -1.07 116.66 122.98 1iwz n ARG 21 Ca 0.23 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 1iwz n ARG 21 Cb 0.35 -4.86 0.00 0.00 -1.02 0.00 0.00 32.46 26.93 1iwz n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iwz n GLY 22 N -1.49 0.75 3.42 -0.13 0.00 -0.58 -5.02 105.19 102.14 1iwz n GLY 22 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 1iwz n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iwz s ILE 23 N -2.72 5.19 0.77 -0.61 1.01 -0.24 -4.90 121.20 119.70 1iwz s ILE 23 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 59.67 1iwz s ILE 23 Cb 0.00 -4.09 0.03 0.00 0.01 0.00 0.00 42.46 38.41 1iwz s ILE 23 CO 0.00 -0.52 0.95 -1.54 0.00 0.00 0.00 174.94 173.82 1iwz n SER 24 N 5.34 0.24 -0.33 3.58 3.41 -1.26 0.16 113.62 124.76 1iwz n SER 24 Ca -0.11 0.60 0.03 0.00 -0.26 0.00 0.00 58.87 59.13 1iwz n SER 24 Cb 0.45 -1.40 0.18 0.00 -0.26 0.00 0.00 64.21 63.18 1iwz n SER 24 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1iwz h LEU 25 N -0.60 0.86 -1.09 1.04 3.38 -1.91 -2.48 115.31 114.51 1iwz h LEU 25 Ca -0.46 0.03 0.06 0.00 0.09 0.00 0.00 57.88 57.59 1iwz h LEU 25 Cb 1.32 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.86 1iwz h LEU 25 CO 0.45 0.51 0.62 0.00 0.09 0.00 0.00 178.44 180.11 1iwz h ALA 26 N 1.46 1.44 -0.58 1.53 0.00 -1.91 0.16 119.26 121.37 1iwz h ALA 26 Ca 0.42 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1iwz h ALA 26 Cb 0.29 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1iwz h ALA 26 CO -0.21 0.43 0.30 -0.91 0.00 0.00 0.00 179.25 178.86 1iwz h ASN 27 N 1.12 0.73 -0.61 0.00 2.35 -1.77 0.24 115.58 117.64 1iwz h ASN 27 Ca 0.40 -0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.97 1iwz h ASN 27 Cb 0.13 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1iwz h ASN 27 CO -0.14 0.63 0.16 -0.50 -1.65 0.00 0.00 177.43 175.93 1iwz h TRP 28 N 0.78 1.05 -0.34 1.19 4.06 -1.22 0.55 115.95 122.02 1iwz h TRP 28 Ca 0.20 -0.11 -0.01 0.00 2.06 0.00 0.00 58.89 61.02 1iwz h TRP 28 Cb 0.08 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 27.92 1iwz h TRP 28 CO -0.01 0.86 0.16 0.52 -3.56 0.00 0.00 178.44 176.41 1iwz h MET 29 N 0.96 0.49 -0.72 0.49 2.86 -0.68 -0.77 114.93 117.56 1iwz h MET 29 Ca 0.20 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.80 1iwz h MET 29 Cb 0.34 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.87 1iwz h MET 29 CO 0.00 0.45 0.46 0.00 1.06 0.00 0.00 176.91 178.88 1iwz h LEU 31 N 0.89 0.09 -0.97 0.00 5.85 -0.65 -2.02 115.31 118.49 1iwz h LEU 31 Ca 0.29 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1iwz h LEU 31 Cb 0.01 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1iwz h LEU 31 CO -0.10 0.11 0.52 0.00 -0.34 0.00 0.00 178.44 178.62 1iwz h ALA 32 N 0.98 1.22 -0.12 1.25 0.00 -0.88 0.46 119.26 122.17 1iwz h ALA 32 Ca 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1iwz h ALA 32 Cb 0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1iwz h ALA 32 CO -0.00 0.65 0.02 -0.22 0.00 0.00 0.00 179.25 179.69 1iwz h LYS 33 N 1.25 0.21 0.00 0.00 3.11 -0.67 -2.49 116.57 117.97 1iwz h LYS 33 Ca 0.32 -0.06 -0.12 0.00 -2.81 0.00 0.00 60.65 57.99 1iwz h LYS 33 Cb -0.02 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.17 1iwz h LYS 33 CO -0.06 0.40 -0.55 -1.49 -2.81 0.00 0.00 179.45 174.94 1iwz h TRP 34 N -0.02 0.00 0.06 1.91 4.06 -1.29 0.90 115.95 121.57 1iwz h TRP 34 Ca 0.04 0.00 -0.22 0.00 2.06 0.00 0.00 58.89 60.76 1iwz h TRP 34 Cb 0.30 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.48 1iwz h TRP 34 CO 0.02 0.55 -0.92 0.93 -3.56 0.00 0.00 178.44 175.47 1iwz h GLU 35 N 0.00 0.51 0.00 0.49 4.39 -0.86 -3.42 114.58 115.69 1iwz h GLU 35 Ca -0.01 -0.63 0.00 0.00 0.34 0.00 0.00 59.36 59.06 1iwz h GLU 35 Cb 1.32 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 30.17 1iwz h GLU 35 CO 0.07 1.25 0.00 -1.13 -1.16 0.00 0.00 179.01 178.05 1iwz n SER 36 N -4.01 0.04 -3.35 1.42 3.41 -0.95 -4.84 113.62 105.33 1iwz n SER 36 Ca -0.12 -0.36 -0.24 0.00 -0.26 0.00 0.00 58.87 57.88 1iwz n SER 36 Cb 0.83 0.07 0.04 0.00 -0.26 0.00 0.00 64.21 64.90 1iwz n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iwz n GLY 37 N 0.07 -0.52 2.32 5.00 0.00 0.31 -2.71 105.19 109.66 1iwz n GLY 37 Ca 0.00 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1iwz n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1iwz n TYR 38 N -4.60 -0.79 -3.85 1.61 4.01 -1.19 -4.79 117.16 107.57 1iwz n TYR 38 Ca -0.04 0.13 -0.36 0.00 -0.16 0.00 0.00 57.90 57.46 1iwz n TYR 38 Cb 0.58 -2.79 -0.13 0.00 -0.31 0.00 0.00 39.34 36.69 1iwz n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1iwz s ASN 39 N -2.63 5.00 0.52 7.72 2.47 -1.10 -1.10 114.94 125.82 1iwz s ASN 39 Ca 0.07 -1.13 0.33 0.00 0.42 0.00 0.00 52.86 52.55 1iwz s ASN 39 Cb -0.03 -1.78 1.43 0.00 -1.45 0.00 0.00 41.25 39.42 1iwz s ASN 39 CO 0.09 -0.26 1.98 0.71 -3.72 0.00 0.00 177.10 175.90 1iwz h THR 40 N 6.28 0.00 -0.41 -5.21 1.35 -1.49 -2.88 112.91 110.56 1iwz h THR 40 Ca -0.24 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1iwz h THR 40 Cb 1.08 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1iwz h THR 40 CO 0.57 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.73 1iwz n ARG 41 N -2.96 2.30 -1.96 4.72 1.85 -1.26 -4.13 116.66 115.21 1iwz n ARG 41 Ca 0.00 -1.98 -0.42 0.00 -1.00 0.00 0.00 57.85 54.46 1iwz n ARG 41 Cb 0.27 -1.47 -0.03 0.00 -1.05 0.00 0.00 32.46 30.18 1iwz n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1iwz s ALA 42 N -1.47 3.69 0.04 2.89 0.00 -1.09 -4.80 121.76 121.03 1iwz s ALA 42 Ca 0.38 1.36 0.02 0.00 0.00 0.00 0.00 51.96 53.71 1iwz s ALA 42 Cb 0.21 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1iwz s ALA 42 CO 0.29 -0.78 -0.06 0.95 0.00 0.00 0.00 175.76 176.16 1iwz s THR 43 N 0.45 0.44 -0.19 0.00 -4.23 -1.26 0.12 115.64 110.97 1iwz s THR 43 Ca 0.64 -1.14 -0.04 0.00 -1.18 0.00 0.00 61.69 59.97 1iwz s THR 43 Cb -0.43 -0.65 0.09 0.00 1.34 0.00 0.00 72.50 72.85 1iwz s THR 43 CO 0.39 -0.48 0.26 0.20 -0.54 0.00 0.00 174.62 174.45 1iwz s ASN 44 N -1.73 0.87 0.14 3.99 0.01 -0.73 -4.98 114.94 112.51 1iwz s ASN 44 Ca -0.09 0.11 -0.28 0.00 -0.71 0.00 0.00 52.86 51.89 1iwz s ASN 44 Cb -0.08 0.60 -0.07 0.00 0.41 0.00 0.00 41.25 42.11 1iwz s ASN 44 CO -0.01 -0.29 0.88 -0.47 -1.51 0.00 0.00 177.10 175.70 1iwz s TYR 45 N 2.39 3.86 -0.71 2.20 5.04 -1.26 -0.68 117.35 128.19 1iwz s TYR 45 Ca 0.06 1.74 -0.05 0.00 -2.44 0.00 0.00 57.07 56.39 1iwz s TYR 45 Cb -0.15 -2.94 0.18 0.00 0.35 0.00 0.00 41.96 39.41 1iwz s TYR 45 CO -0.12 0.34 0.56 -0.80 -1.34 0.00 0.00 175.55 174.20 1iwz s ASN 46 N -0.53 5.62 0.53 4.32 0.01 -0.44 -4.91 114.94 119.53 1iwz s ASN 46 Ca 0.42 -3.00 0.28 0.00 -0.71 0.00 0.00 52.86 49.84 1iwz s ASN 46 Cb -0.23 -1.92 1.43 0.00 0.41 0.00 0.00 41.25 40.93 1iwz s ASN 46 CO 0.28 -0.36 1.95 0.00 -1.51 0.00 0.00 177.10 177.46 1iwz h ALA 47 N 6.95 2.63 -0.37 0.60 0.00 -1.95 0.22 119.26 127.35 1iwz h ALA 47 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1iwz h ALA 47 Cb 0.94 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1iwz h ALA 47 CO 0.74 -0.83 0.14 0.78 0.00 0.00 0.00 179.25 180.09 1iwz h GLY 48 N 0.01 0.60 -0.17 0.00 0.00 -1.94 -3.29 103.07 98.28 1iwz h GLY 48 Ca 0.32 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1iwz h GLY 48 CO -0.01 0.32 0.00 2.09 0.00 0.00 0.00 176.54 178.94 1iwz n ASP 49 N -4.66 1.84 -0.09 0.19 5.75 -0.90 -5.01 116.55 113.67 1iwz n ASP 49 Ca -0.01 -1.73 -0.01 0.00 -0.01 0.00 0.00 54.79 53.03 1iwz n ASP 49 Cb 0.15 -0.02 -0.01 0.00 -1.03 0.00 0.00 41.12 40.21 1iwz n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1iwz n ARG 50 N -0.23 -1.30 -2.70 0.11 1.74 0.74 -4.81 116.66 110.21 1iwz n ARG 50 Ca 0.01 0.39 -0.23 0.00 -0.77 0.00 0.00 57.85 57.25 1iwz n ARG 50 Cb 0.21 -4.39 0.03 0.00 -1.02 0.00 0.00 32.46 27.28 1iwz n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1iwz s SER 51 N -2.07 5.53 0.02 0.55 1.04 -1.22 -4.52 113.70 113.03 1iwz s SER 51 Ca 0.00 0.29 0.03 0.00 0.48 0.00 0.00 55.95 56.75 1iwz s SER 51 Cb 0.00 -1.33 -0.01 0.00 0.10 0.00 0.00 66.02 64.77 1iwz s SER 51 CO 0.00 -0.98 -0.09 -0.89 0.98 0.00 0.00 173.24 172.26 1iwz s THR 52 N -2.76 0.71 -0.16 2.02 2.01 -1.26 -1.33 115.64 114.87 1iwz s THR 52 Ca 0.53 -0.67 -0.07 0.00 0.31 0.00 0.00 61.69 61.80 1iwz s THR 52 Cb -0.10 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 1iwz s THR 52 CO 0.40 0.00 0.07 -1.81 -0.69 0.00 0.00 174.62 172.59 1iwz s ASP 53 N -0.74 5.72 -0.09 3.53 1.01 0.14 -0.38 116.67 125.85 1iwz s ASP 53 Ca -0.00 0.16 0.04 0.00 0.71 0.00 0.00 52.55 53.45 1iwz s ASP 53 Cb -0.06 -1.91 0.00 0.00 1.01 0.00 0.00 42.92 41.96 1iwz s ASP 53 CO 0.00 0.24 -0.22 -0.31 0.21 0.00 0.00 175.17 175.10 1iwz s TYR 54 N -0.04 2.36 0.00 4.23 1.51 -0.23 -1.77 117.35 123.40 1iwz s TYR 54 Ca 0.07 -0.96 0.00 0.00 -1.01 0.00 0.00 57.07 55.17 1iwz s TYR 54 Cb -0.12 -1.59 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 1iwz s TYR 54 CO 0.01 -0.40 0.00 0.41 -1.11 0.00 0.00 175.55 174.46 1iwz n GLY 55 N 3.58 -1.68 0.20 0.71 0.00 0.12 -1.59 105.19 106.52 1iwz n GLY 55 Ca -0.20 -1.50 0.07 0.00 0.00 0.00 0.00 46.02 44.40 1iwz n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1iwz h ILE 56 N 0.00 0.81 -0.02 -0.61 2.10 -1.72 -1.11 117.51 116.97 1iwz h ILE 56 Ca 0.00 -1.36 0.00 0.00 1.08 0.00 0.00 64.86 64.58 1iwz h ILE 56 Cb 0.00 1.84 0.00 0.00 -1.09 0.00 0.00 36.82 37.57 1iwz h ILE 56 CO 0.00 0.32 -0.24 0.49 -1.08 0.00 0.00 178.15 177.64 1iwz n PHE 57 N -3.54 0.00 -3.43 2.19 3.72 -1.26 -4.13 117.46 111.01 1iwz n PHE 57 Ca -0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 1iwz n PHE 57 Cb 0.47 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.06 1iwz n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1iwz n GLN 58 N 0.28 -1.69 -3.16 -1.08 1.13 -0.42 -4.95 117.38 107.49 1iwz n GLN 58 Ca 0.08 0.75 -0.39 0.00 -1.94 0.00 0.00 57.00 55.51 1iwz n GLN 58 Cb 0.40 -4.99 -0.05 0.00 0.11 0.00 0.00 30.24 25.71 1iwz n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1iwz s ILE 59 N -3.37 5.11 0.14 5.09 1.01 -0.62 -4.46 121.20 124.09 1iwz s ILE 59 Ca 0.41 1.23 -0.21 0.00 0.00 0.00 0.00 60.65 62.09 1iwz s ILE 59 Cb -0.10 -3.94 -0.07 0.00 0.01 0.00 0.00 42.46 38.35 1iwz s ILE 59 CO 0.80 0.28 0.66 0.21 0.00 0.00 0.00 174.94 176.90 1iwz s ASN 60 N 0.72 7.14 0.03 3.58 3.84 -1.26 -1.07 114.94 127.91 1iwz s ASN 60 Ca 0.33 1.39 0.21 0.00 0.21 0.00 0.00 52.86 55.00 1iwz s ASN 60 Cb -0.17 -2.41 0.89 0.00 -0.55 0.00 0.00 41.25 39.02 1iwz s ASN 60 CO 0.15 0.19 1.68 -1.54 -2.79 0.00 0.00 177.10 174.78 1iwz n SER 61 N 1.37 0.09 -0.03 -4.21 3.41 0.49 -2.61 113.62 112.12 1iwz n SER 61 Ca -0.07 0.51 -0.16 0.00 -0.26 0.00 0.00 58.87 58.90 1iwz n SER 61 Cb 0.50 -0.54 -0.08 0.00 -0.26 0.00 0.00 64.21 63.84 1iwz n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1iwz h ARG 62 N 0.00 0.58 0.00 4.33 2.43 -1.84 -3.40 114.38 116.48 1iwz h ARG 62 Ca 0.00 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1iwz h ARG 62 Cb 0.38 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1iwz h ARG 62 CO 0.00 1.09 -0.62 0.98 -1.51 0.00 0.00 179.97 179.91 1iwz n TYR 63 N -4.17 0.00 -0.04 2.20 4.19 -1.24 -0.84 117.16 117.25 1iwz n TYR 63 Ca -0.08 0.00 -0.05 0.00 3.31 0.00 0.00 57.90 61.08 1iwz n TYR 63 Cb 0.63 -0.04 -0.05 0.00 0.49 0.00 0.00 39.34 40.37 1iwz n TYR 63 CO 0.00 0.00 0.00 0.91 0.91 0.00 0.00 176.86 178.68 1iwz n TRP 64 N -1.34 0.00 -4.16 2.98 7.02 -1.07 -1.71 117.44 119.16 1iwz n TRP 64 Ca 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 1iwz n TRP 64 Cb 0.09 -0.34 -0.10 0.00 -2.42 0.00 0.00 31.31 28.54 1iwz n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1iwz s ASN 66 N -3.03 6.21 0.00 0.00 2.47 -0.61 -4.56 114.94 115.42 1iwz s ASN 66 Ca 0.12 0.23 0.03 0.00 0.42 0.00 0.00 52.86 53.65 1iwz s ASN 66 Cb 0.06 -2.13 0.02 0.00 -1.45 0.00 0.00 41.25 37.75 1iwz s ASN 66 CO -0.05 0.07 0.52 -0.90 -3.72 0.00 0.00 177.10 173.02 1iwz n ASP 67 N 4.11 1.08 0.00 -4.21 5.68 -1.26 -0.58 116.55 121.36 1iwz n ASP 67 Ca -0.14 -1.04 0.00 0.00 -0.50 0.00 0.00 54.79 53.11 1iwz n ASP 67 Cb 0.52 0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 1iwz n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iwz n GLY 68 N 0.27 3.10 0.16 6.12 0.00 -1.26 -4.77 105.19 108.82 1iwz n GLY 68 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1iwz n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1iwz n LYS 69 N -1.82 2.54 -4.04 1.61 2.85 -1.26 -4.97 118.16 113.07 1iwz n LYS 69 Ca 0.00 -1.94 -0.34 0.00 -1.05 0.00 0.00 58.31 54.97 1iwz n LYS 69 Cb 0.00 -1.22 -0.14 0.00 -0.65 0.00 0.00 35.03 33.02 1iwz n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1iwz s THR 70 N -1.60 3.16 0.66 0.58 2.01 -1.26 -4.92 115.64 114.26 1iwz s THR 70 Ca 0.14 -0.57 -0.17 0.00 0.31 0.00 0.00 61.69 61.40 1iwz s THR 70 Cb 0.11 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 1iwz s THR 70 CO 0.04 0.45 0.77 -2.65 -0.69 0.00 0.00 174.62 172.54 1iwz n PRO 71 N 4.60 0.56 -1.66 4.92 -0.02 -1.26 -3.26 135.00 138.89 1iwz n PRO 71 Ca -0.19 0.23 -0.09 0.00 -2.02 0.00 0.00 63.50 61.44 1iwz n PRO 71 Cb 0.51 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 1iwz n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iwz n GLY 72 N 1.42 0.43 3.84 -1.23 0.00 -1.26 -4.87 105.19 103.52 1iwz n GLY 72 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1iwz n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iwz s ALA 73 N -2.01 3.22 0.30 4.61 0.00 -1.20 -5.01 121.76 121.67 1iwz s ALA 73 Ca 0.00 0.18 0.07 0.00 0.00 0.00 0.00 51.96 52.21 1iwz s ALA 73 Cb 0.00 -2.92 -0.06 0.00 0.00 0.00 0.00 23.12 20.14 1iwz s ALA 73 CO 0.00 0.26 -0.06 0.14 0.00 0.00 0.00 175.76 176.10 1iwz s VAL 74 N -2.05 1.77 -0.50 0.00 -7.23 -0.02 -5.02 120.40 107.34 1iwz s VAL 74 Ca 0.57 -2.13 0.07 0.00 -1.81 0.00 0.00 61.98 58.68 1iwz s VAL 74 Cb -0.10 -2.54 0.27 0.00 0.56 0.00 0.00 36.38 34.57 1iwz s VAL 74 CO 0.16 -0.25 0.68 -3.20 -0.31 0.00 0.00 175.10 172.18 1iwz n ASN 75 N -0.65 2.08 0.25 4.85 2.85 -1.25 -3.43 115.26 119.96 1iwz n ASN 75 Ca -0.05 -3.12 0.12 0.00 -0.11 0.00 0.00 54.58 51.42 1iwz n ASN 75 Cb 0.64 -0.64 0.67 0.00 1.24 0.00 0.00 39.78 41.69 1iwz n ASN 75 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1iwz h ALA 76 N 3.85 1.26 -0.00 5.20 0.00 -1.31 -1.52 119.26 126.75 1iwz h ALA 76 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1iwz h ALA 76 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1iwz h ALA 76 CO 0.65 0.18 -0.12 0.00 0.00 0.00 0.00 179.25 179.96 1iwz n HIS 78 N -1.34 -1.89 -3.94 0.00 1.44 -0.57 -4.95 115.22 103.97 1iwz n HIS 78 Ca 0.10 0.81 -0.10 0.00 -2.01 0.00 0.00 57.72 56.52 1iwz n HIS 78 Cb 0.31 -4.26 -0.10 0.00 0.12 0.00 0.00 29.99 26.06 1iwz n HIS 78 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1iwz s LEU 79 N -6.67 1.97 0.37 2.39 1.43 -1.26 -5.08 118.68 111.82 1iwz s LEU 79 Ca 0.03 -0.44 -0.26 0.00 -1.03 0.00 0.00 54.13 52.43 1iwz s LEU 79 Cb -0.01 0.36 -0.09 0.00 0.03 0.00 0.00 46.19 46.48 1iwz s LEU 79 CO 0.82 -0.37 1.18 -0.55 0.23 0.00 0.00 176.35 177.67 1iwz s SER 80 N -1.60 6.68 0.58 2.29 0.15 -1.26 -1.57 113.70 118.97 1iwz s SER 80 Ca -0.13 2.40 0.30 0.00 0.70 0.00 0.00 55.95 59.22 1iwz s SER 80 Cb -0.07 -2.62 1.80 0.00 -1.71 0.00 0.00 66.02 63.42 1iwz s SER 80 CO -0.01 -0.57 2.23 0.00 1.20 0.00 0.00 173.24 176.09 1iwz h SER 82 N 0.00 0.25 0.00 0.00 0.87 -1.92 -1.65 113.55 111.10 1iwz h SER 82 Ca -0.00 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1iwz h SER 82 Cb 0.06 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1iwz h SER 82 CO 0.00 0.14 -0.00 0.00 -0.53 0.00 0.00 176.83 176.44 1iwz h ALA 83 N 1.70 1.14 -0.23 6.23 0.00 -1.40 -1.07 119.26 125.63 1iwz h ALA 83 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1iwz h ALA 83 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1iwz h ALA 83 CO -0.07 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.47 1iwz n LEU 84 N -3.29 2.01 -0.65 0.00 4.77 -0.62 -3.79 117.00 115.43 1iwz n LEU 84 Ca -0.03 -0.87 0.06 0.00 -0.03 0.00 0.00 56.01 55.14 1iwz n LEU 84 Cb 0.07 -0.15 0.16 0.00 -2.33 0.00 0.00 43.42 41.18 1iwz n LEU 84 CO 0.22 0.43 0.64 0.18 -1.33 0.00 0.00 177.39 177.53 1iwz n LEU 85 N 0.55 3.04 -4.84 2.23 4.77 -0.40 -3.52 117.00 118.81 1iwz n LEU 85 Ca 0.16 -2.15 -0.32 0.00 -0.03 0.00 0.00 56.01 53.67 1iwz n LEU 85 Cb 0.37 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1iwz n LEU 85 CO 0.13 0.71 0.61 -1.10 -1.33 0.00 0.00 177.39 176.41 1iwz s GLN 86 N -1.28 3.98 0.33 3.23 -0.21 -1.25 -4.58 119.66 119.89 1iwz s GLN 86 Ca 0.25 0.88 0.01 0.00 0.02 0.00 0.00 55.36 56.52 1iwz s GLN 86 Cb 0.15 -2.22 0.57 0.00 1.00 0.00 0.00 33.01 32.52 1iwz s GLN 86 CO 0.14 -0.14 2.00 -0.44 -2.12 0.00 0.00 175.29 174.73 1iwz h ASP 87 N 1.30 0.80 -3.36 5.90 5.19 -1.94 -3.41 116.42 120.90 1iwz h ASP 87 Ca -0.47 -0.02 -0.59 0.00 -0.62 0.00 0.00 57.03 55.32 1iwz h ASP 87 Cb 1.18 -0.20 -0.09 0.00 0.18 0.00 0.00 39.33 40.40 1iwz h ASP 87 CO 0.62 0.58 0.30 0.21 -3.12 0.00 0.00 179.24 177.83 1iwz s ASN 88 N -6.41 6.76 0.00 6.45 3.84 -1.26 -4.88 114.94 119.45 1iwz s ASN 88 Ca -0.11 0.94 0.18 0.00 0.21 0.00 0.00 52.86 54.09 1iwz s ASN 88 Cb 0.18 -2.40 0.52 0.00 -0.55 0.00 0.00 41.25 39.00 1iwz s ASN 88 CO 0.77 -0.40 1.43 2.30 -2.79 0.00 0.00 177.10 178.42 1iwz n ILE 89 N 4.99 0.76 -0.22 -5.21 -5.35 -1.26 -4.47 119.36 108.59 1iwz n ILE 89 Ca 0.02 -0.77 -0.01 0.00 -0.27 0.00 0.00 62.75 61.72 1iwz n ILE 89 Cb 0.49 0.40 0.10 0.00 -1.74 0.00 0.00 39.64 38.89 1iwz n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1iwz h ALA 90 N 4.08 0.87 -0.65 -1.28 0.00 -1.95 -0.25 119.26 120.07 1iwz h ALA 90 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1iwz h ALA 90 Cb 0.78 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1iwz h ALA 90 CO 0.00 -0.03 0.21 -0.44 0.00 0.00 0.00 179.25 178.99 1iwz h ASP 91 N 0.60 0.94 -0.88 0.00 3.32 -1.86 -1.11 116.42 117.43 1iwz h ASP 91 Ca 0.30 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.15 1iwz h ASP 91 Cb 0.25 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1iwz h ASP 91 CO -0.21 0.90 0.58 0.00 -1.72 0.00 0.00 179.24 178.78 1iwz h ALA 92 N 1.08 1.11 -0.68 3.45 0.00 -1.63 -1.30 119.26 121.29 1iwz h ALA 92 Ca 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1iwz h ALA 92 Cb 0.29 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1iwz h ALA 92 CO -0.01 0.52 0.35 0.28 0.00 0.00 0.00 179.25 180.40 1iwz h VAL 93 N 1.19 1.22 -0.76 0.00 2.07 -0.81 0.12 116.25 119.28 1iwz h VAL 93 Ca 0.32 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1iwz h VAL 93 Cb -0.13 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 1iwz h VAL 93 CO -0.07 0.25 0.31 0.00 0.02 0.00 0.00 177.57 178.08 1iwz h ALA 94 N 1.17 0.98 -0.27 1.67 0.00 -0.75 0.80 119.26 122.86 1iwz h ALA 94 Ca 0.24 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1iwz h ALA 94 Cb 0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1iwz h ALA 94 CO -0.03 0.60 -0.26 0.00 0.00 0.00 0.00 179.25 179.55 1iwz h ALA 96 N 0.69 1.38 -0.65 0.00 0.00 -0.47 0.92 119.26 121.13 1iwz h ALA 96 Ca 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1iwz h ALA 96 Cb 0.83 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1iwz h ALA 96 CO 0.07 0.50 0.39 0.87 0.00 0.00 0.00 179.25 181.07 1iwz h LYS 97 N 1.22 0.87 -0.30 0.00 1.57 -0.71 -2.26 116.57 116.96 1iwz h LYS 97 Ca 0.42 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 59.01 1iwz h LYS 97 Cb 0.09 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1iwz h LYS 97 CO -0.15 0.61 -0.24 -0.09 -0.57 0.00 0.00 179.45 179.01 1iwz h ARG 98 N 0.89 0.70 -0.63 3.15 9.65 -0.56 -2.25 114.38 125.31 1iwz h ARG 98 Ca 0.23 -0.34 0.10 0.00 -1.10 0.00 0.00 59.98 58.87 1iwz h ARG 98 Cb -0.03 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.47 1iwz h ARG 98 CO -0.04 0.95 0.23 0.28 2.80 0.00 0.00 179.97 184.18 1iwz h VAL 99 N 0.45 0.74 -0.00 0.20 2.07 -0.61 -2.32 116.25 116.77 1iwz h VAL 99 Ca 0.06 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1iwz h VAL 99 Cb 0.79 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1iwz h VAL 99 CO 0.06 0.07 -0.05 1.33 0.02 0.00 0.00 177.57 179.00 1iwz n VAL 100 N -5.01 0.00 0.22 2.57 0.24 -0.87 -2.50 118.33 112.97 1iwz n VAL 100 Ca 0.10 -0.04 0.09 0.00 -2.04 0.00 0.00 64.34 62.45 1iwz n VAL 100 Cb 0.30 -0.27 0.42 0.00 -1.47 0.00 0.00 33.84 32.82 1iwz n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1iwz h ARG 101 N 0.35 0.00 -7.33 7.34 3.08 -0.84 -3.37 114.38 113.60 1iwz h ARG 101 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 1iwz h ARG 101 Cb 0.28 0.00 0.16 0.00 0.08 0.00 0.00 29.97 30.49 1iwz h ARG 101 CO 0.00 0.24 0.20 -0.51 -1.07 0.00 0.00 179.97 178.84 1iwz s ASP 102 N -6.21 2.85 0.00 7.04 1.11 -1.04 -4.93 116.67 115.48 1iwz s ASP 102 Ca 0.01 1.34 0.21 0.00 0.18 0.00 0.00 52.55 54.30 1iwz s ASP 102 Cb 0.10 -2.02 1.13 0.00 1.07 0.00 0.00 42.92 43.21 1iwz s ASP 102 CO 0.64 -3.01 1.68 -0.81 1.18 0.00 0.00 175.17 174.86 1iwz n PRO 103 N -4.11 0.40 0.01 8.23 -0.04 -1.26 -2.36 135.00 135.87 1iwz n PRO 103 Ca 0.06 0.06 -0.01 0.00 -0.04 0.00 0.00 63.50 63.57 1iwz n PRO 103 Cb 0.56 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 1iwz n PRO 103 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1iwz n GLN 104 N -1.21 0.64 0.00 0.54 6.02 -1.26 -5.07 117.38 117.03 1iwz n GLN 104 Ca 0.12 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 1iwz n GLN 104 Cb 0.15 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 29.67 1iwz n GLN 104 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1iwz n GLY 105 N 1.44 1.77 0.35 1.08 0.00 -0.99 -2.36 105.19 106.48 1iwz n GLY 105 Ca -0.13 -0.60 0.18 0.00 0.00 0.00 0.00 46.02 45.48 1iwz n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1iwz h ILE 106 N 0.00 0.29 0.00 -0.61 2.10 -1.91 -2.52 117.51 114.87 1iwz h ILE 106 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1iwz h ILE 106 Cb 0.00 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 36.49 1iwz h ILE 106 CO 0.00 0.00 0.10 0.54 -1.08 0.00 0.00 178.15 177.71 1iwz n ARG 107 N -3.50 0.07 0.28 2.19 1.74 -0.99 -1.97 116.66 114.47 1iwz n ARG 107 Ca 0.02 0.53 0.12 0.00 -0.77 0.00 0.00 57.85 57.75 1iwz n ARG 107 Cb 0.39 -1.83 0.80 0.00 -1.02 0.00 0.00 32.46 30.81 1iwz n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iwz h ALA 108 N 1.69 1.62 -2.64 7.54 0.00 -1.64 -3.38 119.26 122.45 1iwz h ALA 108 Ca 0.00 -0.03 -0.64 0.00 0.00 0.00 0.00 54.91 54.25 1iwz h ALA 108 Cb 0.20 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.83 1iwz h ALA 108 CO 0.00 0.04 -0.20 -1.58 0.00 0.00 0.00 179.25 177.51 1iwz s TRP 109 N -4.69 3.23 0.34 0.00 0.51 -0.83 -4.97 118.94 112.54 1iwz s TRP 109 Ca -0.05 0.30 0.19 0.00 -2.12 0.00 0.00 56.10 54.42 1iwz s TRP 109 Cb 0.15 -2.67 0.96 0.00 -0.81 0.00 0.00 33.47 31.11 1iwz s TRP 109 CO 0.59 -0.33 1.90 0.28 -0.51 0.00 0.00 176.95 178.88 1iwz h VAL 110 N 5.46 0.95 -0.29 4.03 2.07 -1.88 -2.25 116.25 124.34 1iwz h VAL 110 Ca -0.30 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.12 1iwz h VAL 110 Cb 1.15 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 1iwz h VAL 110 CO 0.68 0.27 -0.07 0.00 0.02 0.00 0.00 177.57 178.47 1iwz h ALA 111 N 1.72 1.34 -0.20 1.67 0.00 -1.94 -1.47 119.26 120.40 1iwz h ALA 111 Ca -0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1iwz h ALA 111 Cb 0.58 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1iwz h ALA 111 CO 0.04 0.45 0.11 2.35 0.00 0.00 0.00 179.25 182.19 1iwz h TRP 112 N 0.44 0.27 -0.52 0.00 7.01 -1.73 0.21 115.95 121.62 1iwz h TRP 112 Ca 0.09 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.16 1iwz h TRP 112 Cb 0.40 -0.09 -0.06 0.00 -2.10 0.00 0.00 29.16 27.31 1iwz h TRP 112 CO 0.01 0.25 0.17 0.00 -2.79 0.00 0.00 178.44 176.08 1iwz h ARG 113 N 0.21 0.33 -0.20 2.65 3.08 -1.40 0.77 114.38 119.81 1iwz h ARG 113 Ca 0.07 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 1iwz h ARG 113 Cb 0.08 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1iwz h ARG 113 CO -0.01 0.22 -0.02 -0.91 -1.07 0.00 0.00 179.97 178.17 1iwz h ASN 114 N 0.33 0.36 -0.00 7.04 2.35 -1.16 -3.36 115.58 121.15 1iwz h ASN 114 Ca 0.25 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1iwz h ASN 114 Cb 0.30 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1iwz h ASN 114 CO -0.27 0.61 -0.37 0.54 -1.65 0.00 0.00 177.43 176.29 1iwz n ARG 115 N -4.66 4.18 0.00 0.81 5.12 0.05 -4.83 116.66 117.32 1iwz n ARG 115 Ca -0.05 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 1iwz n ARG 115 Cb 0.25 -0.89 0.00 0.00 -1.16 0.00 0.00 32.46 30.66 1iwz n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iwz n GLN 117 N -2.35 2.69 -2.50 0.00 7.27 0.09 -2.27 117.38 120.30 1iwz n GLN 117 Ca 0.00 0.95 -0.11 0.00 0.07 0.00 0.00 57.00 57.91 1iwz n GLN 117 Cb 0.28 -2.73 -0.00 0.00 2.41 0.00 0.00 30.24 30.19 1iwz n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1iwz n ASN 118 N 2.01 -3.49 -4.74 1.69 3.02 -1.26 -4.96 115.26 107.54 1iwz n ASN 118 Ca 0.08 0.20 -0.24 0.00 -0.03 0.00 0.00 54.58 54.59 1iwz n ASN 118 Cb 0.37 -2.98 -0.07 0.00 -0.61 0.00 0.00 39.78 36.49 1iwz n ASN 118 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1iwz s ARG 119 N -5.08 2.24 -0.61 3.52 0.52 -0.96 -5.09 118.95 113.48 1iwz s ARG 119 Ca 0.02 -1.80 -0.22 0.00 -0.52 0.00 0.00 55.73 53.21 1iwz s ARG 119 Cb -0.01 -2.01 0.07 0.00 0.52 0.00 0.00 34.95 33.52 1iwz s ARG 119 CO 0.03 -0.08 0.87 0.34 0.02 0.00 0.00 175.30 176.48 1iwz s ASP 120 N -3.89 6.20 -0.14 0.23 -1.08 -1.26 -4.87 116.67 111.86 1iwz s ASP 120 Ca 0.41 -0.99 0.16 0.00 -0.52 0.00 0.00 52.55 51.61 1iwz s ASP 120 Cb 0.03 -2.38 0.64 0.00 -1.46 0.00 0.00 42.92 39.75 1iwz s ASP 120 CO 0.23 -1.29 1.55 1.33 0.52 0.00 0.00 175.17 177.51 1iwz n VAL 121 N 5.85 2.00 0.24 1.11 0.24 -1.26 -4.65 118.33 121.85 1iwz n VAL 121 Ca -0.05 -1.37 0.07 0.00 -2.04 0.00 0.00 64.34 60.95 1iwz n VAL 121 Cb 0.45 0.02 0.59 0.00 -1.47 0.00 0.00 33.84 33.43 1iwz n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1iwz h ARG 122 N 3.26 0.02 0.00 7.34 3.08 -1.94 -2.56 114.38 123.57 1iwz h ARG 122 Ca 0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1iwz h ARG 122 Cb 1.45 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.49 1iwz h ARG 122 CO 0.25 0.07 -0.10 -0.56 -1.07 0.00 0.00 179.97 178.56 1iwz h GLN 123 N 0.02 0.00 -0.01 0.04 3.07 -1.98 -2.38 115.11 113.86 1iwz h GLN 123 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 1iwz h GLN 123 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.66 1iwz h GLN 123 CO 0.01 0.10 -0.11 1.88 0.09 0.00 0.00 178.83 180.80 1iwz h TYR 124 N 0.00 0.01 -0.16 0.06 0.05 -1.81 -3.03 116.97 112.10 1iwz h TYR 124 Ca -0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1iwz h TYR 124 Cb 0.21 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.94 1iwz h TYR 124 CO 0.00 0.12 0.00 1.33 -1.05 0.00 0.00 178.16 178.56 1iwz n VAL 125 N -4.40 0.36 -1.95 -2.88 0.24 -0.90 -4.83 118.33 103.97 1iwz n VAL 125 Ca -0.03 -0.68 -0.42 0.00 -2.04 0.00 0.00 64.34 61.17 1iwz n VAL 125 Cb 0.19 1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.52 1iwz n VAL 125 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1iwz s GLN 126 N -1.07 4.21 0.00 7.34 2.00 -1.15 -2.51 119.66 128.49 1iwz s GLN 126 Ca 0.20 2.32 0.00 0.00 -2.00 0.00 0.00 55.36 55.88 1iwz s GLN 126 Cb 0.12 -3.40 0.00 0.00 0.80 0.00 0.00 33.01 30.53 1iwz s GLN 126 CO 0.17 -0.66 0.00 0.41 -0.50 0.00 0.00 175.29 174.71 1iwz n GLY 127 N 3.86 0.87 0.15 2.59 0.00 -1.26 -4.93 105.19 106.48 1iwz n GLY 127 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1iwz n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iwz n GLY 129 N 1.41 0.15 0.00 0.00 0.00 -1.26 -4.79 105.19 100.70 1iwz n GLY 129 Ca 0.09 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1iwz n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65