#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwz s ASP 23 N 0.00 3.87 0.42 1.96 1.47 -1.26 -4.87 116.67 118.25 3iwz s ASP 23 Ca 0.00 1.18 0.09 0.00 1.18 0.00 0.00 52.55 55.00 3iwz s ASP 23 Cb 0.00 -1.84 0.90 0.00 -0.34 0.00 0.00 42.92 41.64 3iwz s ASP 23 CO 0.00 -2.35 2.04 0.00 0.68 0.00 0.00 175.17 175.54 3iwz h ALA 24 N -1.35 1.70 0.09 2.11 0.00 -2.05 -2.35 119.26 117.40 3iwz h ALA 24 Ca -0.49 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 3iwz h ALA 24 Cb 1.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3iwz h ALA 24 CO 0.60 0.25 -0.04 0.78 0.00 0.00 0.00 179.25 180.83 3iwz h GLY 25 N 0.51 -0.13 0.28 0.00 0.00 -1.99 -1.12 103.07 100.62 3iwz h GLY 25 Ca 0.10 0.05 0.09 0.00 0.00 0.00 0.00 47.33 47.57 3iwz h GLY 25 CO -0.01 -0.05 0.04 -0.84 0.00 0.00 0.00 176.54 175.68 3iwz h THR 26 N -0.63 0.67 0.19 4.70 2.02 -1.91 0.18 112.91 118.13 3iwz h THR 26 Ca -0.01 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3iwz h THR 26 Cb 0.51 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3iwz h THR 26 CO 0.02 0.03 -0.17 0.40 0.37 0.00 0.00 175.52 176.17 3iwz h ILE 27 N 0.16 0.63 -0.87 3.11 2.04 -1.41 -0.51 117.51 120.66 3iwz h ILE 27 Ca 0.24 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.08 3iwz h ILE 27 Cb 0.34 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3iwz h ILE 27 CO -0.36 0.00 0.45 -0.33 0.00 0.00 0.00 178.15 177.91 3iwz h GLU 28 N -0.38 1.23 -0.78 2.37 4.39 -0.70 -1.01 114.58 119.71 3iwz h GLU 28 Ca -0.00 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 3iwz h GLU 28 Cb 0.35 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 3iwz h GLU 28 CO -0.03 0.92 0.41 0.00 -1.16 0.00 0.00 179.01 179.15 3iwz h ARG 29 N 1.23 1.10 -0.51 2.33 3.08 -0.38 -2.19 114.38 119.05 3iwz h ARG 29 Ca 0.30 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 3iwz h ARG 29 Cb 0.07 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3iwz h ARG 29 CO -0.04 0.83 -0.10 0.35 -1.07 0.00 0.00 179.97 179.94 3iwz h PHE 30 N 1.09 1.04 0.00 3.04 3.57 -0.69 -3.06 116.94 121.93 3iwz h PHE 30 Ca 0.27 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3iwz h PHE 30 Cb 0.07 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.54 3iwz h PHE 30 CO 0.01 0.98 0.00 -0.07 -2.23 0.00 0.00 178.31 176.99 3iwz h LEU 31 N 0.85 0.00 -1.62 0.59 3.38 -0.81 -3.15 115.31 114.54 3iwz h LEU 31 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3iwz h LEU 31 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3iwz h LEU 31 CO 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 178.52 3iwz h ALA 32 N 2.05 1.69 -0.11 1.53 0.00 -1.30 -1.67 119.26 121.46 3iwz h ALA 32 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3iwz h ALA 32 Cb 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3iwz h ALA 32 CO 0.00 0.23 0.00 0.72 0.00 0.00 0.00 179.25 180.20 3iwz n HIS 33 N -4.38 0.12 -3.13 0.00 8.25 -1.19 -4.95 115.22 109.94 3iwz n HIS 33 Ca -0.01 -0.06 -0.25 0.00 -0.26 0.00 0.00 57.72 57.14 3iwz n HIS 33 Cb 0.19 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.29 3iwz n HIS 33 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3iwz s SER 34 N -1.85 6.27 -0.32 0.41 1.04 -0.63 -4.86 113.70 113.76 3iwz s SER 34 Ca 0.33 0.59 -0.07 0.00 0.48 0.00 0.00 55.95 57.28 3iwz s SER 34 Cb 0.20 -2.08 0.02 0.00 0.10 0.00 0.00 66.02 64.26 3iwz s SER 34 CO 0.31 -0.40 0.10 -2.28 0.98 0.00 0.00 173.24 171.95 3iwz s HIS 35 N -2.46 3.19 -0.02 5.02 5.65 0.54 -4.83 115.29 122.38 3iwz s HIS 35 Ca 0.43 -1.09 -0.26 0.00 0.25 0.00 0.00 55.06 54.38 3iwz s HIS 35 Cb -0.10 -2.29 -0.04 0.00 -1.18 0.00 0.00 32.58 28.98 3iwz s HIS 35 CO 0.39 -0.62 0.82 1.03 -0.65 0.00 0.00 174.74 175.70 3iwz s ARG 36 N 1.48 4.50 0.01 2.88 0.52 -1.26 -1.26 118.95 125.82 3iwz s ARG 36 Ca 0.01 1.12 0.02 0.00 -0.52 0.00 0.00 55.73 56.36 3iwz s ARG 36 Cb -0.18 -3.44 -0.01 0.00 0.52 0.00 0.00 34.95 31.84 3iwz s ARG 36 CO 0.03 0.06 -0.06 1.03 0.02 0.00 0.00 175.30 176.38 3iwz s ARG 37 N 0.73 0.49 -0.06 3.54 1.81 0.01 -4.98 118.95 120.48 3iwz s ARG 37 Ca 0.43 -0.35 -0.12 0.00 -1.72 0.00 0.00 55.73 53.97 3iwz s ARG 37 Cb -0.19 -0.42 -0.05 0.00 -0.45 0.00 0.00 34.95 33.84 3iwz s ARG 37 CO 0.23 0.11 0.31 1.03 -0.68 0.00 0.00 175.30 176.29 3iwz s ARG 38 N -0.51 3.83 -0.01 3.54 1.81 -1.26 -1.12 118.95 125.22 3iwz s ARG 38 Ca -0.01 0.20 0.05 0.00 -1.72 0.00 0.00 55.73 54.25 3iwz s ARG 38 Cb -0.04 -3.24 -0.01 0.00 -0.45 0.00 0.00 34.95 31.20 3iwz s ARG 38 CO -0.00 0.65 -0.16 0.71 -0.68 0.00 0.00 175.30 175.81 3iwz s TYR 39 N -0.81 1.45 0.86 -0.53 2.02 0.34 -4.98 117.35 115.71 3iwz s TYR 39 Ca 0.20 -0.28 -0.12 0.00 -0.37 0.00 0.00 57.07 56.50 3iwz s TYR 39 Cb -0.15 -0.94 0.11 0.00 -0.40 0.00 0.00 41.96 40.58 3iwz s TYR 39 CO 0.09 -0.03 1.12 -2.14 -1.57 0.00 0.00 175.55 173.02 3iwz s PRO 40 N -0.36 1.53 0.94 -1.71 0.02 -1.26 0.20 135.00 134.36 3iwz s PRO 40 Ca 0.06 0.41 -0.12 0.00 0.02 0.00 0.00 61.00 61.37 3iwz s PRO 40 Cb -0.06 -1.87 0.15 0.00 0.02 0.00 0.00 34.50 32.74 3iwz s PRO 40 CO -0.01 -1.95 1.11 -0.08 -0.33 0.00 0.00 177.00 175.74 3iwz s THR 41 N -3.25 2.23 -1.20 0.99 -1.32 -1.24 -3.86 115.64 107.99 3iwz s THR 41 Ca 0.63 0.07 -0.04 0.00 -1.21 0.00 0.00 61.69 61.14 3iwz s THR 41 Cb -0.14 -2.67 0.03 0.00 -1.51 0.00 0.00 72.50 68.20 3iwz s THR 41 CO 0.53 -0.10 0.26 0.54 -2.21 0.00 0.00 174.62 173.64 3iwz n ARG 42 N -3.94 -2.98 -4.26 7.08 3.00 -0.48 -4.93 116.66 110.14 3iwz n ARG 42 Ca 0.06 0.58 -0.34 0.00 -0.01 0.00 0.00 57.85 58.14 3iwz n ARG 42 Cb 0.57 -5.26 -0.13 0.00 0.00 0.00 0.00 32.46 27.65 3iwz n ARG 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3iwz s THR 43 N -2.80 3.76 -0.49 0.55 2.01 -1.25 -4.85 115.64 112.57 3iwz s THR 43 Ca 0.19 -0.39 -0.29 0.00 0.31 0.00 0.00 61.69 61.51 3iwz s THR 43 Cb -0.10 -2.67 0.03 0.00 0.01 0.00 0.00 72.50 69.77 3iwz s THR 43 CO 0.23 0.46 1.19 -1.81 -0.69 0.00 0.00 174.62 174.01 3iwz s ASP 44 N 0.72 6.55 0.34 3.53 -0.00 -1.26 -0.95 116.67 125.61 3iwz s ASP 44 Ca -0.02 0.44 0.12 0.00 -0.00 0.00 0.00 52.55 53.09 3iwz s ASP 44 Cb -0.14 -2.55 0.61 0.00 -0.00 0.00 0.00 42.92 40.84 3iwz s ASP 44 CO 0.02 -1.33 1.77 0.58 -0.00 0.00 0.00 175.17 176.21 3iwz h VAL 45 N 6.26 1.31 -1.72 -1.27 2.07 -0.60 -3.46 116.25 118.84 3iwz h VAL 45 Ca -0.24 -1.49 0.11 0.00 0.82 0.00 0.00 66.70 65.90 3iwz h VAL 45 Cb 1.07 1.79 -0.21 0.00 -1.52 0.00 0.00 31.29 32.42 3iwz h VAL 45 CO 1.14 0.43 0.57 0.72 0.02 0.00 0.00 177.57 180.44 3iwz s PHE 46 N -4.06 -0.34 0.29 1.57 -0.12 -1.23 -4.99 117.98 109.11 3iwz s PHE 46 Ca -0.03 0.47 0.04 0.00 -0.05 0.00 0.00 56.93 57.36 3iwz s PHE 46 Cb 0.14 0.48 -0.06 0.00 -0.63 0.00 0.00 43.02 42.95 3iwz s PHE 46 CO 0.74 -0.37 0.04 1.03 -0.05 0.00 0.00 175.22 176.60 3iwz s ARG 47 N -1.72 1.54 0.20 1.99 0.52 -1.26 -1.43 118.95 118.78 3iwz s ARG 47 Ca 0.01 -1.83 -0.32 0.00 -0.52 0.00 0.00 55.73 53.07 3iwz s ARG 47 Cb -0.01 -0.75 -0.15 0.00 0.52 0.00 0.00 34.95 34.57 3iwz s ARG 47 CO -0.02 -0.16 1.32 -2.30 0.02 0.00 0.00 175.30 174.16 3iwz n PRO 48 N -0.58 1.64 0.00 3.54 -0.02 -1.21 -1.88 135.00 136.48 3iwz n PRO 48 Ca -0.03 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3iwz n PRO 48 Cb 0.66 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3iwz n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iwz n GLY 49 N 2.21 3.09 3.77 -1.23 0.00 -0.82 -4.92 105.19 107.29 3iwz n GLY 49 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3iwz n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iwz s ASP 50 N -1.12 5.50 0.23 1.61 1.01 -0.79 -4.65 116.67 118.47 3iwz s ASP 50 Ca 0.00 2.09 -0.32 0.00 0.71 0.00 0.00 52.55 55.04 3iwz s ASP 50 Cb 0.00 -2.57 -0.13 0.00 1.01 0.00 0.00 42.92 41.23 3iwz s ASP 50 CO 0.00 -1.37 1.50 -2.65 0.21 0.00 0.00 175.17 172.86 3iwz n PRO 51 N -1.74 2.24 -3.52 8.23 -0.02 -1.26 -1.44 135.00 137.49 3iwz n PRO 51 Ca 0.11 0.80 -0.42 0.00 -2.02 0.00 0.00 63.50 61.97 3iwz n PRO 51 Cb 0.51 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 3iwz n PRO 51 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iwz s ALA 52 N 0.21 3.81 0.00 3.55 0.00 -0.88 -4.72 121.76 123.74 3iwz s ALA 52 Ca 0.70 -3.25 0.00 0.00 0.00 0.00 0.00 51.96 49.41 3iwz s ALA 52 Cb -0.62 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3iwz s ALA 52 CO 0.46 -2.18 0.13 0.41 0.00 0.00 0.00 175.76 174.59 3iwz n GLY 53 N 3.80 0.34 3.17 0.00 0.00 -1.26 -4.76 105.19 106.47 3iwz n GLY 53 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 3iwz n GLY 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iwz s THR 54 N -0.02 0.93 -0.08 2.61 -4.23 -1.26 -1.41 115.64 112.18 3iwz s THR 54 Ca 0.00 -1.57 -0.00 0.00 -1.18 0.00 0.00 61.69 58.94 3iwz s THR 54 Cb 0.00 -1.28 -0.03 0.00 1.34 0.00 0.00 72.50 72.53 3iwz s THR 54 CO 0.00 -0.51 -0.05 -0.22 -0.54 0.00 0.00 174.62 173.30 3iwz s LEU 55 N -2.31 3.27 0.06 4.79 2.96 0.13 -4.69 118.68 122.88 3iwz s LEU 55 Ca 0.04 0.01 0.07 0.00 -0.22 0.00 0.00 54.13 54.03 3iwz s LEU 55 Cb -0.04 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 3iwz s LEU 55 CO 0.00 0.35 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.92 3iwz s TYR 56 N -0.76 2.62 -0.11 5.38 2.02 -0.36 -1.70 117.35 124.44 3iwz s TYR 56 Ca 0.12 -0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.61 3iwz s TYR 56 Cb -0.11 -1.46 0.02 0.00 -0.40 0.00 0.00 41.96 40.01 3iwz s TYR 56 CO 0.02 0.31 -0.15 -0.47 -1.57 0.00 0.00 175.55 173.69 3iwz s TYR 57 N -1.01 1.94 -0.48 2.71 5.04 0.92 -0.84 117.35 125.63 3iwz s TYR 57 Ca 0.16 -0.92 -0.29 0.00 -2.44 0.00 0.00 57.07 53.58 3iwz s TYR 57 Cb -0.11 -1.41 0.03 0.00 0.35 0.00 0.00 41.96 40.82 3iwz s TYR 57 CO 0.07 -0.49 1.12 0.08 -1.34 0.00 0.00 175.55 175.00 3iwz s VAL 58 N 1.06 4.23 -0.10 3.14 1.01 0.14 -0.82 120.40 129.06 3iwz s VAL 58 Ca -0.05 1.18 -0.22 0.00 0.00 0.00 0.00 61.98 62.89 3iwz s VAL 58 Cb -0.15 -4.59 -0.28 0.00 0.00 0.00 0.00 36.38 31.36 3iwz s VAL 58 CO -0.03 -1.00 0.71 0.40 0.00 0.00 0.00 175.10 175.19 3iwz h ILE 59 N 6.22 1.40 -3.61 2.22 2.04 -1.58 0.95 117.51 125.16 3iwz h ILE 59 Ca -0.23 -2.43 -0.10 0.00 1.00 0.00 0.00 64.86 63.11 3iwz h ILE 59 Cb 1.06 3.03 -0.16 0.00 -0.74 0.00 0.00 36.82 40.01 3iwz h ILE 59 CO 1.12 0.65 -0.35 -0.94 0.00 0.00 0.00 178.15 178.63 3iwz s SER 60 N -6.81 0.03 0.00 1.72 1.04 -1.02 -4.66 113.70 104.00 3iwz s SER 60 Ca -0.18 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.81 3iwz s SER 60 Cb 0.01 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3iwz s SER 60 CO 0.76 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.95 3iwz n GLY 61 N 0.36 -2.82 3.11 7.32 0.00 -1.26 -2.11 105.19 109.79 3iwz n GLY 61 Ca -0.17 -1.85 -0.18 0.00 0.00 0.00 0.00 46.02 43.82 3iwz n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iwz s SER 62 N -2.16 1.39 0.14 1.61 0.15 -1.26 -3.90 113.70 109.66 3iwz s SER 62 Ca 0.00 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.19 3iwz s SER 62 Cb 0.00 -0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.20 3iwz s SER 62 CO 0.00 -0.03 -0.01 0.68 1.20 0.00 0.00 173.24 175.08 3iwz s VAL 63 N -0.96 0.55 0.14 4.45 -7.23 0.36 -1.49 120.40 116.22 3iwz s VAL 63 Ca -0.01 -1.94 0.08 0.00 -1.81 0.00 0.00 61.98 58.29 3iwz s VAL 63 Cb -0.08 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 3iwz s VAL 63 CO 0.01 -0.62 -0.18 -0.94 -0.31 0.00 0.00 175.10 173.06 3iwz s SER 64 N -3.10 2.55 -0.18 4.85 1.04 0.15 -0.21 113.70 118.81 3iwz s SER 64 Ca 0.19 -0.81 -0.02 0.00 0.48 0.00 0.00 55.95 55.79 3iwz s SER 64 Cb 0.06 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 3iwz s SER 64 CO 0.00 -0.03 -0.10 -0.63 0.98 0.00 0.00 173.24 173.47 3iwz s ILE 65 N -1.85 3.11 -0.05 -1.02 -1.09 -0.93 -1.12 121.20 118.24 3iwz s ILE 65 Ca 0.12 -0.61 0.04 0.00 -2.23 0.00 0.00 60.65 57.97 3iwz s ILE 65 Cb -0.07 -2.36 0.00 0.00 -1.58 0.00 0.00 42.46 38.46 3iwz s ILE 65 CO 0.06 0.48 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.46 3iwz s ILE 66 N 0.98 1.37 -0.05 2.92 1.01 -0.14 -0.74 121.20 126.55 3iwz s ILE 66 Ca -0.01 -0.66 -0.18 0.00 0.00 0.00 0.00 60.65 59.80 3iwz s ILE 66 Cb -0.15 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.08 3iwz s ILE 66 CO -0.01 0.40 0.49 0.00 0.00 0.00 0.00 174.94 175.83 3iwz s ALA 67 N 0.24 3.53 0.07 9.38 0.00 -0.20 -1.25 121.76 133.53 3iwz s ALA 67 Ca -0.08 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.78 3iwz s ALA 67 Cb -0.13 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 3iwz s ALA 67 CO 0.03 0.17 0.04 -2.00 0.00 0.00 0.00 175.76 174.00 3iwz s GLU 68 N -0.05 2.77 0.36 0.00 2.12 -1.26 -0.78 118.70 121.86 3iwz s GLU 68 Ca 0.27 -0.71 0.09 0.00 0.36 0.00 0.00 54.97 54.97 3iwz s GLU 68 Cb -0.16 -2.67 -0.06 0.00 0.26 0.00 0.00 34.13 31.49 3iwz s GLU 68 CO 0.13 0.57 -0.02 -1.21 -0.54 0.00 0.00 175.26 174.19 3iwz s GLU 69 N -2.20 1.96 0.65 4.30 0.41 -0.50 -4.98 118.70 118.35 3iwz s GLU 69 Ca 0.26 -1.89 0.39 0.00 -0.41 0.00 0.00 54.97 53.33 3iwz s GLU 69 Cb -0.12 -1.79 2.15 0.00 -1.78 0.00 0.00 34.13 32.58 3iwz s GLU 69 CO 0.19 0.10 2.21 -0.44 -0.49 0.00 0.00 175.26 176.82 3iwz h ASP 70 N 1.87 0.00 -0.42 -0.19 3.32 -2.01 -0.53 116.42 118.46 3iwz h ASP 70 Ca -0.43 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 3iwz h ASP 70 Cb 1.25 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 3iwz h ASP 70 CO 0.71 0.00 0.04 -0.90 -1.72 0.00 0.00 179.24 177.36 3iwz n ASP 71 N -2.98 4.44 -1.92 6.45 5.68 -1.26 -4.93 116.55 122.03 3iwz n ASP 71 Ca -0.03 -3.09 -0.18 0.00 -0.50 0.00 0.00 54.79 51.00 3iwz n ASP 71 Cb 0.16 -0.62 -0.02 0.00 -1.14 0.00 0.00 41.12 39.50 3iwz n ASP 71 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3iwz n ASP 72 N -0.20 -5.25 -4.80 -1.12 9.92 -0.21 -4.99 116.55 109.90 3iwz n ASP 72 Ca 0.27 0.08 -0.38 0.00 -0.53 0.00 0.00 54.79 54.23 3iwz n ASP 72 Cb 1.06 -4.32 -0.06 0.00 -0.64 0.00 0.00 41.12 37.16 3iwz n ASP 72 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 3iwz s ARG 73 N -4.61 4.04 0.00 -1.24 0.52 -1.25 -4.86 118.95 111.55 3iwz s ARG 73 Ca 0.00 0.35 0.02 0.00 -0.52 0.00 0.00 55.73 55.58 3iwz s ARG 73 Cb 0.00 -3.29 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 3iwz s ARG 73 CO 0.00 0.52 -0.02 -1.21 0.02 0.00 0.00 175.30 174.60 3iwz s GLU 74 N -0.49 2.69 -0.30 3.54 2.02 -1.26 -1.41 118.70 123.49 3iwz s GLU 74 Ca 0.23 -0.66 0.03 0.00 0.02 0.00 0.00 54.97 54.58 3iwz s GLU 74 Cb -0.16 -2.60 0.08 0.00 0.10 0.00 0.00 34.13 31.55 3iwz s GLU 74 CO 0.11 0.61 -0.00 -1.17 0.02 0.00 0.00 175.26 174.83 3iwz s LEU 75 N -1.53 3.74 -0.05 1.80 2.96 0.04 -4.68 118.68 120.97 3iwz s LEU 75 Ca 0.19 -1.73 -0.30 0.00 -0.22 0.00 0.00 54.13 52.07 3iwz s LEU 75 Cb -0.11 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 3iwz s LEU 75 CO 0.09 -0.31 1.34 -0.69 -1.32 0.00 0.00 176.35 175.46 3iwz s VAL 76 N 1.12 3.95 -0.09 1.68 1.01 -0.30 -1.04 120.40 126.74 3iwz s VAL 76 Ca 0.03 1.28 0.15 0.00 0.00 0.00 0.00 61.98 63.44 3iwz s VAL 76 Cb -0.19 -3.82 -0.18 0.00 0.00 0.00 0.00 36.38 32.19 3iwz s VAL 76 CO -0.09 -0.03 0.72 0.18 0.00 0.00 0.00 175.10 175.89 3iwz n LEU 77 N 5.65 0.82 0.00 3.92 4.77 0.08 -4.64 117.00 127.60 3iwz n LEU 77 Ca 0.13 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 3iwz n LEU 77 Cb 0.44 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3iwz n LEU 77 CO 0.57 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 3iwz n GLY 78 N 1.47 0.61 3.45 -0.72 0.00 -1.21 -4.85 105.19 103.94 3iwz n GLY 78 Ca -0.13 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 3iwz n GLY 78 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iwz s TYR 79 N -2.00 2.61 -0.02 1.61 2.02 -1.26 -2.20 117.35 118.11 3iwz s TYR 79 Ca 0.00 -0.23 0.01 0.00 -0.37 0.00 0.00 57.07 56.48 3iwz s TYR 79 Cb 0.00 -1.54 0.02 0.00 -0.40 0.00 0.00 41.96 40.03 3iwz s TYR 79 CO 0.00 0.20 -0.01 -0.06 -1.57 0.00 0.00 175.55 174.10 3iwz s PHE 80 N -0.81 0.29 0.00 2.71 0.08 0.71 -4.97 117.98 115.98 3iwz s PHE 80 Ca 0.13 -0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.16 3iwz s PHE 80 Cb -0.10 -0.31 0.00 0.00 -0.57 0.00 0.00 43.02 42.04 3iwz s PHE 80 CO 0.03 -0.08 0.00 0.41 -0.10 0.00 0.00 175.22 175.48 3iwz n GLY 81 N 3.67 5.20 3.66 4.36 0.00 -1.26 -0.49 105.19 120.33 3iwz n GLY 81 Ca -0.21 -1.95 -0.45 0.00 0.00 0.00 0.00 46.02 43.41 3iwz n GLY 81 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3iwz n SER 82 N 0.00 2.55 0.00 1.61 7.64 -1.25 -2.25 113.62 121.91 3iwz n SER 82 Ca 0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3iwz n SER 82 Cb 0.00 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 61.80 3iwz n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iwz n GLY 83 N 2.03 1.25 3.79 0.23 0.00 0.33 -5.00 105.19 107.82 3iwz n GLY 83 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3iwz n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iwz s GLU 84 N -0.60 4.39 -0.15 1.61 0.41 -0.95 -4.84 118.70 118.57 3iwz s GLU 84 Ca 0.00 0.97 -0.11 0.00 -0.41 0.00 0.00 54.97 55.43 3iwz s GLU 84 Cb 0.00 -3.17 -0.05 0.00 -1.78 0.00 0.00 34.13 29.13 3iwz s GLU 84 CO 0.00 0.55 0.20 -0.06 -0.49 0.00 0.00 175.26 175.46 3iwz s PHE 85 N -1.22 3.50 0.16 1.61 0.08 -1.26 -0.69 117.98 120.16 3iwz s PHE 85 Ca 0.35 0.50 0.03 0.00 0.12 0.00 0.00 56.93 57.93 3iwz s PHE 85 Cb -0.21 -2.16 -0.05 0.00 -0.57 0.00 0.00 43.02 40.03 3iwz s PHE 85 CO 0.23 0.41 -0.03 0.14 -0.10 0.00 0.00 175.22 175.87 3iwz s VAL 86 N -0.06 0.83 -1.29 -0.44 -7.23 -0.02 -4.74 120.40 107.45 3iwz s VAL 86 Ca 0.13 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.31 3iwz s VAL 86 Cb -0.12 -2.00 0.00 0.00 0.56 0.00 0.00 36.38 34.81 3iwz s VAL 86 CO 0.02 -0.59 0.00 0.61 -0.31 0.00 0.00 175.10 174.83 3iwz n GLY 87 N -0.22 0.33 0.13 2.32 0.00 -1.26 -1.22 105.19 105.27 3iwz n GLY 87 Ca -0.08 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.66 3iwz n GLY 87 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3iwz h GLU 88 N 0.00 0.00 -0.80 1.61 9.09 -1.85 -3.39 114.58 119.24 3iwz h GLU 88 Ca -0.32 0.00 0.16 0.00 0.05 0.00 0.00 59.36 59.26 3iwz h GLU 88 Cb 1.14 0.00 -0.15 0.00 -1.65 0.00 0.00 28.75 28.08 3iwz h GLU 88 CO 0.40 0.26 -0.19 1.98 0.05 0.00 0.00 179.01 181.51 3iwz h MET 89 N 0.00 0.00 0.00 1.06 4.05 -1.95 0.30 114.93 118.40 3iwz h MET 89 Ca -0.06 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3iwz h MET 89 Cb 1.32 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.12 3iwz h MET 89 CO 0.04 0.00 0.18 0.78 0.23 0.00 0.00 176.91 178.14 3iwz h GLY 90 N 0.00 0.00 2.00 1.39 0.00 -1.77 0.44 103.07 105.13 3iwz h GLY 90 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3iwz h GLY 90 CO -0.82 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 175.62 3iwz n LEU 91 N -2.51 0.41 0.00 3.11 7.94 0.11 -3.96 117.00 122.10 3iwz n LEU 91 Ca -0.02 0.54 0.00 0.00 -1.11 0.00 0.00 56.01 55.43 3iwz n LEU 91 Cb 0.22 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 43.75 3iwz n LEU 91 CO 0.11 -0.13 -0.48 0.49 -1.11 0.00 0.00 177.39 176.28 3iwz n PHE 92 N -1.89 0.00 -4.03 1.96 3.72 0.12 -5.00 117.46 112.33 3iwz n PHE 92 Ca 0.06 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.13 3iwz n PHE 92 Cb 0.37 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.76 3iwz n PHE 92 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3iwz s ILE 93 N -1.96 2.46 -0.32 4.37 -1.09 0.62 -5.06 121.20 120.22 3iwz s ILE 93 Ca 0.00 -1.18 -0.37 0.00 -2.23 0.00 0.00 60.65 56.87 3iwz s ILE 93 Cb 0.00 -2.25 -0.13 0.00 -1.58 0.00 0.00 42.46 38.50 3iwz s ILE 93 CO 0.00 0.22 2.06 1.21 -1.23 0.00 0.00 174.94 177.20 3iwz n GLU 94 N 4.59 1.13 -3.62 2.79 2.13 -1.26 -4.32 120.64 122.08 3iwz n GLU 94 Ca -0.17 0.35 -0.12 0.00 0.66 0.00 0.00 57.16 57.88 3iwz n GLU 94 Cb 0.46 -2.34 -0.07 0.00 0.27 0.00 0.00 31.44 29.76 3iwz n GLU 94 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3iwz s SER 95 N 6.12 -0.58 0.00 4.31 0.15 -1.26 -5.02 113.70 117.41 3iwz s SER 95 Ca 1.06 1.04 0.25 0.00 0.70 0.00 0.00 55.95 59.00 3iwz s SER 95 Cb -0.93 1.02 0.53 0.00 -1.71 0.00 0.00 66.02 64.94 3iwz s SER 95 CO 0.54 -0.25 1.43 0.47 1.20 0.00 0.00 173.24 176.62 3iwz n ASP 96 N 2.13 0.85 -4.12 5.45 8.00 -1.26 -4.61 116.55 123.00 3iwz n ASP 96 Ca -0.13 -0.66 -0.14 0.00 0.71 0.00 0.00 54.79 54.57 3iwz n ASP 96 Cb 0.56 0.27 -0.11 0.00 -0.02 0.00 0.00 41.12 41.81 3iwz n ASP 96 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3iwz s THR 97 N -2.75 0.76 0.55 -3.53 -4.23 -1.26 -2.06 115.64 103.11 3iwz s THR 97 Ca 0.17 -1.31 -0.17 0.00 -1.18 0.00 0.00 61.69 59.20 3iwz s THR 97 Cb 0.18 -0.94 -0.06 0.00 1.34 0.00 0.00 72.50 73.02 3iwz s THR 97 CO 0.63 -0.42 1.04 -0.13 -0.54 0.00 0.00 174.62 175.19 3iwz s ARG 98 N -2.02 3.58 0.00 3.99 1.81 -0.52 -4.72 118.95 121.07 3iwz s ARG 98 Ca -0.04 1.19 0.10 0.00 -1.72 0.00 0.00 55.73 55.26 3iwz s ARG 98 Cb -0.07 -2.07 0.01 0.00 -0.45 0.00 0.00 34.95 32.37 3iwz s ARG 98 CO 0.00 -0.59 0.66 0.39 -0.68 0.00 0.00 175.30 175.08 3iwz n GLU 99 N -1.65 1.75 -4.16 3.54 -0.58 -1.26 -1.94 120.64 116.35 3iwz n GLU 99 Ca 0.08 -0.70 -0.13 0.00 -0.42 0.00 0.00 57.16 56.00 3iwz n GLU 99 Cb 0.53 -1.09 -0.08 0.00 -0.57 0.00 0.00 31.44 30.22 3iwz n GLU 99 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3iwz s VAL 100 N -1.22 0.00 -0.13 2.62 -7.23 -1.26 -4.78 120.40 108.39 3iwz s VAL 100 Ca 0.09 -1.83 -0.11 0.00 -1.81 0.00 0.00 61.98 58.31 3iwz s VAL 100 Cb 0.08 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 3iwz s VAL 100 CO 0.22 0.00 0.24 -0.63 -0.31 0.00 0.00 175.10 174.61 3iwz s ILE 101 N -3.93 5.34 -0.26 -0.62 1.01 -0.38 -3.35 121.20 119.01 3iwz s ILE 101 Ca 0.35 0.43 -0.04 0.00 0.00 0.00 0.00 60.65 61.39 3iwz s ILE 101 Cb 0.04 -3.55 0.01 0.00 0.01 0.00 0.00 42.46 38.97 3iwz s ILE 101 CO 0.14 0.49 -0.01 -0.22 0.00 0.00 0.00 174.94 175.34 3iwz s LEU 102 N -0.18 3.35 0.00 2.97 2.96 -0.52 -0.96 118.68 126.31 3iwz s LEU 102 Ca 0.15 -0.69 0.06 0.00 -0.22 0.00 0.00 54.13 53.44 3iwz s LEU 102 Cb -0.13 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 3iwz s LEU 102 CO 0.04 -0.12 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.16 3iwz s ARG 103 N 1.43 1.47 0.21 1.98 3.52 -0.28 0.23 118.95 127.50 3iwz s ARG 103 Ca 0.02 -0.76 -0.28 0.00 -0.13 0.00 0.00 55.73 54.59 3iwz s ARG 103 Cb -0.16 -1.46 -0.08 0.00 -1.56 0.00 0.00 34.95 31.68 3iwz s ARG 103 CO -0.02 0.39 0.88 0.95 -0.81 0.00 0.00 175.30 176.70 3iwz s THR 104 N -0.56 4.20 -0.30 4.11 -4.23 -0.12 0.34 115.64 119.07 3iwz s THR 104 Ca 0.07 1.95 0.15 0.00 -1.18 0.00 0.00 61.69 62.68 3iwz s THR 104 Cb -0.08 -4.26 -0.20 0.00 1.34 0.00 0.00 72.50 69.30 3iwz s THR 104 CO 0.00 0.50 0.45 0.54 -0.54 0.00 0.00 174.62 175.57 3iwz n ARG 105 N 1.60 1.18 -3.32 3.99 5.12 -0.56 -1.39 116.66 123.28 3iwz n ARG 105 Ca -0.03 -0.08 -0.11 0.00 -1.93 0.00 0.00 57.85 55.69 3iwz n ARG 105 Cb 0.48 -1.29 -0.04 0.00 -1.16 0.00 0.00 32.46 30.45 3iwz n ARG 105 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3iwz n THR 106 N -1.74 0.00 -2.35 0.55 -2.24 -1.19 -4.71 114.28 102.60 3iwz n THR 106 Ca -0.00 -1.42 -0.40 0.00 -2.27 0.00 0.00 64.05 59.95 3iwz n THR 106 Cb 0.32 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 3iwz n THR 106 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3iwz s GLN 107 N -2.76 4.41 0.08 -0.78 0.74 -1.26 -3.71 119.66 116.38 3iwz s GLN 107 Ca 0.23 1.90 0.02 0.00 0.05 0.00 0.00 55.36 57.57 3iwz s GLN 107 Cb 0.01 -3.01 -0.03 0.00 1.10 0.00 0.00 33.01 31.07 3iwz s GLN 107 CO 0.17 -0.02 -0.08 0.00 -0.55 0.00 0.00 175.29 174.81 3iwz s GLU 109 N -2.82 2.44 -0.01 0.00 2.12 -0.90 0.13 118.70 119.66 3iwz s GLU 109 Ca 0.02 -0.62 0.06 0.00 0.36 0.00 0.00 54.97 54.79 3iwz s GLU 109 Cb -0.02 -2.15 -0.01 0.00 0.26 0.00 0.00 34.13 32.20 3iwz s GLU 109 CO -0.02 -0.18 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.82 3iwz s LEU 110 N 1.31 2.04 -0.12 2.70 1.43 -0.28 -1.43 118.68 124.34 3iwz s LEU 110 Ca 0.02 -0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 52.71 3iwz s LEU 110 Cb -0.13 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.10 3iwz s LEU 110 CO -0.09 0.22 0.12 0.00 0.23 0.00 0.00 176.35 176.83 3iwz s ALA 111 N -0.46 3.77 0.05 4.21 0.00 0.00 -0.81 121.76 128.52 3iwz s ALA 111 Ca 0.07 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.39 3iwz s ALA 111 Cb -0.07 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 3iwz s ALA 111 CO -0.01 0.58 -0.10 -1.83 0.00 0.00 0.00 175.76 174.41 3iwz s GLU 112 N -0.91 0.63 -0.20 0.00 -1.05 -0.39 -0.06 118.70 116.73 3iwz s GLU 112 Ca 0.14 -0.81 -0.15 0.00 -0.15 0.00 0.00 54.97 54.00 3iwz s GLU 112 Cb -0.12 -0.49 0.06 0.00 -0.44 0.00 0.00 34.13 33.14 3iwz s GLU 112 CO 0.03 0.10 0.52 -1.50 0.95 0.00 0.00 175.26 175.36 3iwz s ILE 113 N -1.30 -0.01 0.84 1.83 2.07 -0.69 -0.34 121.20 123.60 3iwz s ILE 113 Ca -0.07 0.03 -0.12 0.00 -1.41 0.00 0.00 60.65 59.08 3iwz s ILE 113 Cb -0.10 -0.74 0.10 0.00 0.13 0.00 0.00 42.46 41.85 3iwz s ILE 113 CO 0.01 0.01 1.17 -0.94 -1.91 0.00 0.00 174.94 173.28 3iwz s SER 114 N 0.86 3.46 0.05 4.50 1.04 -1.26 -0.70 113.70 121.65 3iwz s SER 114 Ca -0.05 2.24 -0.21 0.00 0.48 0.00 0.00 55.95 58.42 3iwz s SER 114 Cb -0.05 -2.57 -0.12 0.00 0.10 0.00 0.00 66.02 63.37 3iwz s SER 114 CO -0.07 -2.75 1.44 1.88 0.98 0.00 0.00 173.24 174.72 3iwz h TYR 115 N -1.26 0.35 0.08 5.02 0.05 -1.58 -2.02 116.97 117.62 3iwz h TYR 115 Ca -0.45 -0.07 0.02 0.00 0.05 0.00 0.00 58.73 58.28 3iwz h TYR 115 Cb 1.28 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 38.90 3iwz h TYR 115 CO 0.49 0.58 -0.27 0.93 -1.05 0.00 0.00 178.16 178.84 3iwz h GLU 116 N 0.01 -0.45 -0.45 4.88 5.08 -1.92 0.41 114.58 122.14 3iwz h GLU 116 Ca 0.04 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 3iwz h GLU 116 Cb 0.47 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 3iwz h GLU 116 CO 0.02 -0.30 0.16 -0.09 -1.00 0.00 0.00 179.01 177.80 3iwz h ARG 117 N -0.47 0.32 -0.22 2.33 9.65 -1.94 -0.02 114.38 124.04 3iwz h ARG 117 Ca 0.04 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 3iwz h ARG 117 Cb 0.51 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.99 3iwz h ARG 117 CO -0.18 0.21 0.04 1.25 2.80 0.00 0.00 179.97 184.09 3iwz h LEU 118 N 0.33 0.00 -1.25 3.80 5.85 -0.72 0.10 115.31 123.43 3iwz h LEU 118 Ca 0.21 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 3iwz h LEU 118 Cb 0.20 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3iwz h LEU 118 CO -0.21 0.03 -0.24 1.56 -0.34 0.00 0.00 178.44 179.24 3iwz h GLN 119 N 0.12 0.20 -0.14 1.25 1.08 -0.62 -0.43 115.11 116.57 3iwz h GLN 119 Ca 0.10 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 3iwz h GLN 119 Cb 0.10 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 3iwz h GLN 119 CO -0.13 0.44 0.06 0.37 -0.95 0.00 0.00 178.83 178.62 3iwz h GLN 120 N 0.18 0.21 -0.76 1.46 4.15 -0.22 -2.29 115.11 117.85 3iwz h GLN 120 Ca 0.03 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.46 3iwz h GLN 120 Cb 0.54 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.15 3iwz h GLN 120 CO 0.04 0.28 0.50 -0.07 -1.93 0.00 0.00 178.83 177.65 3iwz h LEU 121 N 0.08 0.77 -1.64 -2.39 3.38 -0.17 -1.50 115.31 113.85 3iwz h LEU 121 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3iwz h LEU 121 Cb 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3iwz h LEU 121 CO -0.00 0.52 0.13 -0.26 0.09 0.00 0.00 178.44 178.91 3iwz h PHE 122 N 0.89 0.36 -0.00 1.13 0.05 -0.55 0.92 116.94 119.74 3iwz h PHE 122 Ca 0.31 -0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.10 3iwz h PHE 122 Cb 0.10 -0.12 0.00 0.00 2.00 0.00 0.00 35.95 37.94 3iwz h PHE 122 CO -0.00 0.27 -0.13 1.04 -0.18 0.00 0.00 178.31 179.31 3iwz n GLN 123 N -4.45 0.19 0.00 1.51 6.02 -0.59 -3.45 117.38 116.61 3iwz n GLN 123 Ca 0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 3iwz n GLN 123 Cb 0.11 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.87 3iwz n GLN 123 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3iwz n THR 124 N -1.36 0.00 -0.11 5.09 -2.24 -0.51 -4.87 114.28 110.28 3iwz n THR 124 Ca 0.09 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.76 3iwz n THR 124 Cb 0.31 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.46 3iwz n THR 124 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3iwz h SER 125 N 0.00 -1.49 -0.15 3.42 0.02 -1.75 -1.59 113.55 112.00 3iwz h SER 125 Ca 0.00 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3iwz h SER 125 Cb 0.00 0.61 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3iwz h SER 125 CO 0.00 -0.33 0.00 0.18 -1.14 0.00 0.00 176.83 175.54 3iwz n LEU 126 N -4.84 1.25 -0.30 5.07 4.77 0.20 -4.36 117.00 118.79 3iwz n LEU 126 Ca -0.03 -0.63 0.13 0.00 -0.03 0.00 0.00 56.01 55.45 3iwz n LEU 126 Cb 0.27 -0.25 0.28 0.00 -2.33 0.00 0.00 43.42 41.40 3iwz n LEU 126 CO 0.01 0.26 0.89 -1.28 -1.33 0.00 0.00 177.39 175.93 3iwz h SER 127 N 0.93 -0.18 -0.35 -1.43 0.87 -1.08 0.73 113.55 113.05 3iwz h SER 127 Ca 0.00 0.22 -0.05 0.00 -1.23 0.00 0.00 61.79 60.74 3iwz h SER 127 Cb 0.41 0.34 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 3iwz h SER 127 CO 0.03 -0.23 0.07 -0.65 -0.53 0.00 0.00 176.83 175.53 3iwz h PRO 128 N 0.12 0.65 -0.01 2.24 0.11 -1.81 -3.04 132.00 130.27 3iwz h PRO 128 Ca 0.56 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3iwz h PRO 128 Cb 1.14 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3iwz h PRO 128 CO -0.74 0.62 -0.20 -0.25 -0.21 0.00 0.00 178.00 177.22 3iwz n ASP 129 N -4.29 0.75 -0.09 -2.05 8.00 0.17 -4.34 116.55 114.70 3iwz n ASP 129 Ca 0.03 -0.70 -0.08 0.00 0.71 0.00 0.00 54.79 54.75 3iwz n ASP 129 Cb 0.22 0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 3iwz n ASP 129 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iwz h ALA 130 N 3.60 -0.21 -0.86 2.24 0.00 -1.22 0.13 119.26 122.95 3iwz h ALA 130 Ca 0.00 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.08 3iwz h ALA 130 Cb 0.45 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 3iwz h ALA 130 CO 0.00 -0.73 0.56 -1.35 0.00 0.00 0.00 179.25 177.73 3iwz h PRO 131 N -0.28 0.84 -0.09 0.00 0.11 -1.81 0.70 132.00 131.47 3iwz h PRO 131 Ca 0.16 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.09 3iwz h PRO 131 Cb 0.53 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.46 3iwz h PRO 131 CO -0.49 0.56 -0.43 0.00 -0.21 0.00 0.00 178.00 177.43 3iwz h ARG 132 N 0.87 0.45 -0.58 1.05 3.08 -1.50 -1.04 114.38 116.70 3iwz h ARG 132 Ca 0.39 -0.37 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 3iwz h ARG 132 Cb 0.36 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3iwz h ARG 132 CO -0.16 1.00 0.07 0.82 -1.07 0.00 0.00 179.97 180.63 3iwz h ILE 133 N 0.02 1.26 -0.46 2.04 2.04 -0.82 -0.81 117.51 120.79 3iwz h ILE 133 Ca -0.03 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 64.77 3iwz h ILE 133 Cb 1.08 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 3iwz h ILE 133 CO 0.09 0.37 0.13 -0.07 0.00 0.00 0.00 178.15 178.68 3iwz h LEU 134 N 0.88 0.67 -0.55 1.44 3.38 -0.87 -1.66 115.31 118.60 3iwz h LEU 134 Ca 0.17 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3iwz h LEU 134 Cb 0.45 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3iwz h LEU 134 CO 0.02 0.71 0.11 0.22 0.09 0.00 0.00 178.44 179.59 3iwz h TYR 135 N 0.60 0.95 -0.60 1.13 3.20 -1.06 -1.63 116.97 119.57 3iwz h TYR 135 Ca 0.15 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3iwz h TYR 135 Cb 0.28 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3iwz h TYR 135 CO 0.01 0.84 0.32 0.00 -1.64 0.00 0.00 178.16 177.69 3iwz h ALA 136 N 1.00 0.77 -0.29 1.82 0.00 -0.96 -0.17 119.26 121.44 3iwz h ALA 136 Ca 0.17 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3iwz h ALA 136 Cb 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3iwz h ALA 136 CO 0.01 0.31 -0.02 0.82 0.00 0.00 0.00 179.25 180.37 3iwz h ILE 137 N 0.82 1.18 -0.27 0.00 2.04 -1.14 -1.34 117.51 118.81 3iwz h ILE 137 Ca 0.21 -0.73 -0.08 0.00 1.00 0.00 0.00 64.86 65.26 3iwz h ILE 137 Cb 0.07 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3iwz h ILE 137 CO -0.03 0.25 -0.18 1.23 0.00 0.00 0.00 178.15 179.41 3iwz h GLY 138 N 0.78 0.52 0.94 5.37 0.00 -0.26 -0.64 103.07 109.77 3iwz h GLY 138 Ca 0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3iwz h GLY 138 CO 0.01 0.35 0.16 -2.08 0.00 0.00 0.00 176.54 174.98 3iwz h VAL 139 N 0.43 1.20 -0.31 4.60 2.07 0.07 -0.92 116.25 123.40 3iwz h VAL 139 Ca 0.07 -0.61 -0.16 0.00 0.82 0.00 0.00 66.70 66.83 3iwz h VAL 139 Cb 0.56 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3iwz h VAL 139 CO 0.04 0.22 -0.44 1.56 0.02 0.00 0.00 177.57 178.96 3iwz h GLN 140 N 0.51 0.84 -0.74 1.57 4.20 -1.21 -1.19 115.11 119.09 3iwz h GLN 140 Ca 0.13 -0.50 -0.01 0.00 0.06 0.00 0.00 58.65 58.34 3iwz h GLN 140 Cb 0.19 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 3iwz h GLN 140 CO -0.01 1.13 0.43 -0.07 -0.67 0.00 0.00 178.83 179.64 3iwz h LEU 141 N 0.62 0.90 -0.33 1.46 3.38 -1.05 0.65 115.31 120.94 3iwz h LEU 141 Ca 0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3iwz h LEU 141 Cb 1.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 3iwz h LEU 141 CO 0.10 0.71 0.16 0.28 0.09 0.00 0.00 178.44 179.79 3iwz h SER 142 N 1.02 0.43 -0.26 -0.43 0.02 -0.98 0.32 113.55 113.67 3iwz h SER 142 Ca 0.26 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3iwz h SER 142 Cb -0.01 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3iwz h SER 142 CO -0.05 0.44 0.17 0.11 -1.14 0.00 0.00 176.83 176.36 3iwz h LYS 143 N 0.40 0.34 -0.72 3.45 1.57 -0.81 -1.00 116.57 119.80 3iwz h LYS 143 Ca 0.11 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3iwz h LYS 143 Cb 0.12 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3iwz h LYS 143 CO -0.01 0.22 0.40 0.00 -0.57 0.00 0.00 179.45 179.49 3iwz h ARG 144 N 0.35 1.00 -0.78 3.15 -0.00 -0.55 -0.94 114.38 116.62 3iwz h ARG 144 Ca 0.10 -0.11 -0.04 0.00 -0.50 0.00 0.00 59.98 59.43 3iwz h ARG 144 Cb -0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 29.97 29.70 3iwz h ARG 144 CO -0.03 0.74 0.34 1.25 0.00 0.00 0.00 179.97 182.28 3iwz h LEU 145 N 0.99 1.05 0.92 3.04 5.85 -0.10 0.13 115.31 127.20 3iwz h LEU 145 Ca 0.25 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 3iwz h LEU 145 Cb 0.03 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 40.80 3iwz h LEU 145 CO -0.04 0.92 -0.44 0.25 -0.34 0.00 0.00 178.44 178.78 3iwz h LEU 146 N 1.12 -1.05 -0.75 2.25 5.85 -0.54 0.31 115.31 122.49 3iwz h LEU 146 Ca 0.26 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.14 3iwz h LEU 146 Cb 0.17 0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 3iwz h LEU 146 CO -0.03 -0.72 0.36 0.44 -0.34 0.00 0.00 178.44 178.15 3iwz h ASP 147 N -1.30 0.43 -0.13 1.25 3.32 -1.11 0.12 116.42 119.00 3iwz h ASP 147 Ca -0.13 0.08 -0.13 0.00 0.02 0.00 0.00 57.03 56.87 3iwz h ASP 147 Cb 0.95 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 3iwz h ASP 147 CO 0.21 0.22 -0.35 0.74 -1.72 0.00 0.00 179.24 178.34 3iwz h THR 148 N 0.57 1.29 -0.87 0.35 2.02 -0.60 0.14 112.91 115.81 3iwz h THR 148 Ca 0.39 -1.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.06 3iwz h THR 148 Cb 0.50 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 3iwz h THR 148 CO -0.32 0.48 0.44 0.74 0.37 0.00 0.00 175.52 177.23 3iwz h THR 149 N 0.54 1.26 -0.05 3.16 2.02 0.10 0.15 112.91 120.09 3iwz h THR 149 Ca 0.06 -0.69 -0.16 0.00 0.77 0.00 0.00 66.41 66.39 3iwz h THR 149 Cb 0.85 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3iwz h THR 149 CO 0.07 0.30 -0.67 0.03 0.37 0.00 0.00 175.52 175.62 3iwz h ARG 150 N 1.22 0.23 -0.42 6.66 3.08 -0.37 -2.42 114.38 122.35 3iwz h ARG 150 Ca 0.30 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 60.04 3iwz h ARG 150 Cb 0.08 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3iwz h ARG 150 CO -0.04 0.81 -0.28 -0.22 -1.07 0.00 0.00 179.97 179.17 3iwz h LYS 151 N 0.16 0.91 -0.51 0.04 3.64 -0.12 -2.10 116.57 118.58 3iwz h LYS 151 Ca -0.02 -0.42 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3iwz h LYS 151 Cb 1.21 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 3iwz h LYS 151 CO 0.10 1.07 0.30 0.00 -2.27 0.00 0.00 179.45 178.65 3iwz h ALA 152 N 0.90 0.65 -0.28 5.00 0.00 -0.87 -1.22 119.26 123.43 3iwz h ALA 152 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3iwz h ALA 152 Cb 0.85 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3iwz h ALA 152 CO 0.08 0.14 0.19 0.77 0.00 0.00 0.00 179.25 180.42 3iwz h SER 153 N 0.68 0.32 0.02 0.00 0.02 -1.31 -2.06 113.55 111.23 3iwz h SER 153 Ca 0.18 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 3iwz h SER 153 Cb 0.00 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3iwz h SER 153 CO -0.03 0.24 -0.19 0.03 -1.14 0.00 0.00 176.83 175.73 3iwz h ARG 154 N 0.38 0.31 0.00 3.45 3.08 -1.24 -0.95 114.38 119.42 3iwz h ARG 154 Ca 0.10 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 3iwz h ARG 154 Cb -0.04 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3iwz h ARG 154 CO -0.02 0.50 -0.38 -0.07 -1.07 0.00 0.00 179.97 178.92 3iwz h LEU 155 N 0.29 0.00 0.00 3.04 3.38 -0.91 -1.29 115.31 119.82 3iwz h LEU 155 Ca 0.05 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.77 3iwz h LEU 155 Cb 0.50 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3iwz h LEU 155 CO 0.03 0.38 -1.67 0.00 0.09 0.00 0.00 178.44 177.28 3iwz n ALA 156 N -2.29 1.67 -0.10 1.53 0.00 -0.80 -4.63 120.51 115.90 3iwz n ALA 156 Ca -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.71 3iwz n ALA 156 Cb 0.53 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.15 3iwz n ALA 156 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3iwz n PHE 157 N -2.95 0.00 -4.82 0.00 3.72 -0.40 -5.06 117.46 107.95 3iwz n PHE 157 Ca -0.16 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.93 3iwz n PHE 157 Cb 0.98 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 39.38 3iwz n PHE 157 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3iwz s LEU 158 N -0.55 2.53 0.83 4.37 1.43 -0.49 -5.03 118.68 121.77 3iwz s LEU 158 Ca 0.00 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 3iwz s LEU 158 Cb 0.00 -1.49 0.09 0.00 0.03 0.00 0.00 46.19 44.82 3iwz s LEU 158 CO 0.00 0.29 1.09 1.51 0.23 0.00 0.00 176.35 179.47 3iwz s ASP 159 N -1.15 4.06 0.42 2.29 3.84 -1.26 -4.77 116.67 120.10 3iwz s ASP 159 Ca 0.13 1.53 0.10 0.00 -0.00 0.00 0.00 52.55 54.32 3iwz s ASP 159 Cb -0.10 -2.24 0.94 0.00 -1.38 0.00 0.00 42.92 40.13 3iwz s ASP 159 CO 0.03 -2.28 2.01 1.62 -0.00 0.00 0.00 175.17 176.55 3iwz h VAL 160 N -1.30 0.99 -0.41 2.11 3.04 -1.96 -1.83 116.25 116.90 3iwz h VAL 160 Ca -0.47 -0.17 -0.02 0.00 -1.01 0.00 0.00 66.70 65.02 3iwz h VAL 160 Cb 1.26 0.45 -0.02 0.00 -2.01 0.00 0.00 31.29 30.97 3iwz h VAL 160 CO 0.55 0.09 0.16 0.74 -1.01 0.00 0.00 177.57 178.10 3iwz h THR 161 N 0.50 1.20 -0.14 3.17 2.02 -1.98 -0.82 112.91 116.85 3iwz h THR 161 Ca 0.23 -0.62 -0.10 0.00 0.77 0.00 0.00 66.41 66.70 3iwz h THR 161 Cb 0.28 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 3iwz h THR 161 CO -0.06 0.22 -0.34 0.44 0.37 0.00 0.00 175.52 176.15 3iwz h ASP 162 N 0.51 0.29 -0.03 4.18 3.32 -1.76 -1.08 116.42 121.87 3iwz h ASP 162 Ca 0.14 -0.11 -0.17 0.00 0.02 0.00 0.00 57.03 56.90 3iwz h ASP 162 Cb 0.20 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 3iwz h ASP 162 CO -0.01 0.62 -0.58 0.03 -1.72 0.00 0.00 179.24 177.58 3iwz h ARG 163 N 0.25 0.62 -0.36 3.56 3.08 -1.12 -2.59 114.38 117.82 3iwz h ARG 163 Ca 0.03 -0.41 -0.17 0.00 0.07 0.00 0.00 59.98 59.51 3iwz h ARG 163 Cb 0.73 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 3iwz h ARG 163 CO 0.06 1.03 -0.42 0.82 -1.07 0.00 0.00 179.97 180.38 3iwz h ILE 164 N 0.47 1.27 -0.12 2.04 2.04 -0.85 -1.67 117.51 120.70 3iwz h ILE 164 Ca 0.00 -1.59 -0.01 0.00 1.00 0.00 0.00 64.86 64.26 3iwz h ILE 164 Cb 1.15 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.66 3iwz h ILE 164 CO 0.11 0.53 0.03 -0.37 0.00 0.00 0.00 178.15 178.46 3iwz h VAL 165 N 0.74 1.19 -0.34 1.67 -1.51 -1.20 -0.48 116.25 116.32 3iwz h VAL 165 Ca 0.05 -0.58 -0.03 0.00 -1.23 0.00 0.00 66.70 64.90 3iwz h VAL 165 Cb 1.02 1.36 -0.02 0.00 -2.13 0.00 0.00 31.29 31.52 3iwz h VAL 165 CO 0.10 0.17 0.06 0.03 -1.23 0.00 0.00 177.57 176.71 3iwz h ARG 166 N -0.01 0.49 -0.31 5.19 3.08 -1.48 -1.82 114.38 119.53 3iwz h ARG 166 Ca 0.04 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 59.84 3iwz h ARG 166 Cb 0.24 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 3iwz h ARG 166 CO -0.00 0.47 -0.46 1.15 -1.07 0.00 0.00 179.97 180.07 3iwz h THR 167 N 0.49 1.28 0.00 2.04 2.02 -1.13 -1.80 112.91 115.80 3iwz h THR 167 Ca 0.11 -1.64 -0.06 0.00 0.77 0.00 0.00 66.41 65.59 3iwz h THR 167 Cb 0.22 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 3iwz h THR 167 CO -0.00 0.54 -0.30 -0.07 0.37 0.00 0.00 175.52 176.05 3iwz h LEU 168 N 0.65 0.00 -0.12 2.58 3.38 -0.48 -1.60 115.31 119.72 3iwz h LEU 168 Ca 0.04 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 3iwz h LEU 168 Cb 1.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 3iwz h LEU 168 CO 0.10 0.30 -0.71 0.45 0.09 0.00 0.00 178.44 178.67 3iwz h HIS 169 N 0.00 0.00 0.01 1.13 3.86 -1.10 -2.52 115.15 116.53 3iwz h HIS 169 Ca -0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.07 3iwz h HIS 169 Cb 0.57 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.05 3iwz h HIS 169 CO 0.00 0.71 -0.53 -0.44 0.86 0.00 0.00 177.93 178.53 3iwz h ASP 170 N 0.00 0.45 -0.86 2.45 3.32 -0.95 -3.09 116.42 117.74 3iwz h ASP 170 Ca -0.01 -0.78 0.10 0.00 0.02 0.00 0.00 57.03 56.36 3iwz h ASP 170 Cb 1.50 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 40.85 3iwz h ASP 170 CO 0.09 1.18 0.56 -0.07 -1.72 0.00 0.00 179.24 179.28 3iwz h LEU 171 N -0.23 0.74 0.00 1.55 3.38 -1.34 0.13 115.31 119.55 3iwz h LEU 171 Ca -0.07 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3iwz h LEU 171 Cb 1.27 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3iwz h LEU 171 CO 0.10 0.43 0.00 -1.54 0.09 0.00 0.00 178.44 177.53 3iwz n SER 172 N -4.53 0.00 0.01 -0.43 3.41 -0.95 -2.50 113.62 108.63 3iwz n SER 172 Ca 0.15 0.30 0.11 0.00 -0.26 0.00 0.00 58.87 59.17 3iwz n SER 172 Cb 0.33 -0.42 0.05 0.00 -0.26 0.00 0.00 64.21 63.91 3iwz n SER 172 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3iwz n LYS 173 N -1.42 0.09 -2.47 4.33 3.00 0.44 -4.74 118.16 117.39 3iwz n LYS 173 Ca 0.08 -0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.99 3iwz n LYS 173 Cb 0.24 -1.52 -0.04 0.00 0.00 0.00 0.00 35.03 33.70 3iwz n LYS 173 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3iwz s GLU 174 N -3.06 4.45 0.62 1.64 2.56 -1.04 -4.91 118.70 118.96 3iwz s GLU 174 Ca 0.08 1.74 0.29 0.00 0.00 0.00 0.00 54.97 57.07 3iwz s GLU 174 Cb 0.16 -2.96 1.51 0.00 2.00 0.00 0.00 34.13 34.84 3iwz s GLU 174 CO 0.79 0.06 1.90 -1.35 -0.56 0.00 0.00 175.26 176.09 3iwz h PRO 175 N 3.34 0.00 0.00 4.30 0.11 -1.91 0.40 132.00 138.24 3iwz h PRO 175 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3iwz h PRO 175 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3iwz h PRO 175 CO 0.65 0.00 0.00 1.49 -0.21 0.00 0.00 178.00 179.93 3iwz h GLU 176 N 0.00 0.00 -5.73 1.05 4.81 -1.91 -3.42 114.58 109.38 3iwz h GLU 176 Ca 0.13 0.00 -0.40 0.00 -0.13 0.00 0.00 59.36 58.96 3iwz h GLU 176 Cb 0.98 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 3iwz h GLU 176 CO -0.00 0.00 1.23 0.00 -0.73 0.00 0.00 179.01 179.51 3iwz s ALA 177 N -3.43 1.72 0.11 2.92 0.00 0.14 -4.94 121.76 118.28 3iwz s ALA 177 Ca 0.03 -0.52 -0.31 0.00 0.00 0.00 0.00 51.96 51.16 3iwz s ALA 177 Cb 0.09 -4.38 -0.08 0.00 0.00 0.00 0.00 23.12 18.75 3iwz s ALA 177 CO 0.40 -4.47 1.38 1.41 0.00 0.00 0.00 175.76 174.47 3iwz s MET 178 N 7.73 4.33 0.73 0.00 0.00 -1.17 -4.84 119.30 126.08 3iwz s MET 178 Ca 0.82 2.05 -0.13 0.00 0.00 0.00 0.00 55.69 58.43 3iwz s MET 178 Cb -0.14 -3.27 0.04 0.00 0.00 0.00 0.00 34.83 31.46 3iwz s MET 178 CO 0.19 -0.43 1.12 0.45 0.00 0.00 0.00 175.02 176.34 3iwz s SER 179 N 1.14 4.59 0.03 1.11 0.15 -1.26 0.24 113.70 119.70 3iwz s SER 179 Ca 0.64 2.01 -0.10 0.00 0.70 0.00 0.00 55.95 59.21 3iwz s SER 179 Cb -0.36 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.41 3iwz s SER 179 CO 0.30 -1.98 0.20 -2.28 1.20 0.00 0.00 173.24 170.68 3iwz s HIS 180 N -2.49 0.02 0.61 3.44 5.04 -0.75 -4.53 115.29 116.62 3iwz s HIS 180 Ca 0.66 -0.19 0.34 0.00 -1.54 0.00 0.00 55.06 54.33 3iwz s HIS 180 Cb -0.21 -0.02 1.99 0.00 0.04 0.00 0.00 32.58 34.39 3iwz s HIS 180 CO 0.48 -0.41 2.29 -1.35 -2.34 0.00 0.00 174.74 173.41 3iwz h PRO 181 N 3.62 0.00 -0.33 2.88 0.11 -2.00 -2.02 132.00 134.26 3iwz h PRO 181 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3iwz h PRO 181 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3iwz h PRO 181 CO 0.46 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.30 3iwz n GLN 182 N -3.61 2.33 0.00 1.05 6.02 -1.26 -5.05 117.38 116.85 3iwz n GLN 182 Ca -0.03 -2.14 0.00 0.00 -0.01 0.00 0.00 57.00 54.82 3iwz n GLN 182 Cb 0.08 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 29.89 3iwz n GLN 182 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iwz n GLY 183 N 1.30 0.15 3.18 1.08 0.00 -0.76 -2.41 105.19 107.72 3iwz n GLY 183 Ca 0.17 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 3iwz n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iwz s THR 184 N 0.00 1.94 -0.56 2.61 2.01 0.62 -1.82 115.64 120.44 3iwz s THR 184 Ca 0.00 -0.93 -0.18 0.00 0.31 0.00 0.00 61.69 60.88 3iwz s THR 184 Cb 0.00 -1.70 0.10 0.00 0.01 0.00 0.00 72.50 70.91 3iwz s THR 184 CO 0.00 0.53 0.64 -1.58 -0.69 0.00 0.00 174.62 173.52 3iwz s GLN 185 N 0.55 3.05 0.79 4.92 -0.44 0.14 -0.12 119.66 128.55 3iwz s GLN 185 Ca -0.14 -1.29 -0.11 0.00 -2.50 0.00 0.00 55.36 51.31 3iwz s GLN 185 Cb -0.17 -4.23 0.08 0.00 -1.64 0.00 0.00 33.01 27.05 3iwz s GLN 185 CO 0.05 -1.43 1.15 -0.51 0.50 0.00 0.00 175.29 175.05 3iwz s LEU 186 N 2.47 2.58 -0.43 3.68 1.02 0.13 -3.06 118.68 125.08 3iwz s LEU 186 Ca 0.11 0.67 0.02 0.00 0.02 0.00 0.00 54.13 54.95 3iwz s LEU 186 Cb -0.24 -3.18 0.15 0.00 0.02 0.00 0.00 46.19 42.94 3iwz s LEU 186 CO 0.07 -1.88 0.27 -0.60 0.02 0.00 0.00 176.35 174.23 3iwz s ARG 187 N -5.52 1.07 0.02 1.70 6.06 -1.26 -2.82 118.95 118.19 3iwz s ARG 187 Ca 0.62 -1.93 0.00 0.00 -2.50 0.00 0.00 55.73 51.93 3iwz s ARG 187 Cb -0.11 -1.89 -0.02 0.00 0.06 0.00 0.00 34.95 32.99 3iwz s ARG 187 CO 0.48 -1.24 -0.03 0.08 -2.50 0.00 0.00 175.30 172.09 3iwz s VAL 188 N 0.36 0.13 0.34 7.11 1.01 -0.82 -5.01 120.40 123.52 3iwz s VAL 188 Ca 0.22 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.50 3iwz s VAL 188 Cb -0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 3iwz s VAL 188 CO -0.05 -0.40 0.26 -0.94 0.00 0.00 0.00 175.10 173.96 3iwz s SER 189 N -1.22 5.12 0.34 3.32 1.04 -1.26 -4.08 113.70 116.96 3iwz s SER 189 Ca -0.13 -0.58 0.02 0.00 0.48 0.00 0.00 55.95 55.74 3iwz s SER 189 Cb -0.08 -0.89 0.62 0.00 0.10 0.00 0.00 66.02 65.77 3iwz s SER 189 CO -0.01 -0.36 2.00 0.03 0.98 0.00 0.00 173.24 175.88 3iwz h ARG 190 N 1.31 0.86 0.27 4.02 3.08 -1.94 -1.05 114.38 120.92 3iwz h ARG 190 Ca -0.44 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 3iwz h ARG 190 Cb 1.25 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3iwz h ARG 190 CO 0.60 0.57 -0.13 1.96 -1.07 0.00 0.00 179.97 181.90 3iwz h GLN 191 N 0.89 -0.35 -0.62 0.04 4.20 -1.95 -1.75 115.11 115.57 3iwz h GLN 191 Ca 0.26 0.02 0.02 0.00 0.06 0.00 0.00 58.65 59.01 3iwz h GLN 191 Cb -0.05 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 3iwz h GLN 191 CO -0.06 -0.06 0.39 0.93 -0.67 0.00 0.00 178.83 179.36 3iwz h GLU 192 N -0.62 0.76 -0.49 1.46 4.39 -1.90 0.43 114.58 118.61 3iwz h GLU 192 Ca -0.04 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.68 3iwz h GLU 192 Cb 0.45 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 28.87 3iwz h GLU 192 CO 0.06 0.50 0.18 1.25 -1.16 0.00 0.00 179.01 179.84 3iwz h LEU 193 N 0.78 0.18 -0.95 1.33 5.85 -1.20 0.43 115.31 121.74 3iwz h LEU 193 Ca 0.24 0.06 0.05 0.00 0.84 0.00 0.00 57.88 59.07 3iwz h LEU 193 Cb -0.02 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 3iwz h LEU 193 CO -0.08 0.13 0.61 0.00 -0.34 0.00 0.00 178.44 178.76 3iwz h ALA 194 N 1.33 1.29 -0.13 1.25 0.00 -0.36 -1.74 119.26 120.90 3iwz h ALA 194 Ca 0.23 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 3iwz h ALA 194 Cb 0.24 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3iwz h ALA 194 CO -0.24 0.42 -0.45 0.00 0.00 0.00 0.00 179.25 178.98 3iwz h ARG 195 N 1.14 0.31 -0.05 0.00 3.08 0.14 -1.57 114.38 117.43 3iwz h ARG 195 Ca 0.40 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 60.15 3iwz h ARG 195 Cb 0.10 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3iwz h ARG 195 CO -0.15 0.71 -0.58 -0.07 -1.07 0.00 0.00 179.97 178.81 3iwz h LEU 196 N 0.26 0.19 -2.69 3.04 3.38 0.58 -0.78 115.31 119.28 3iwz h LEU 196 Ca 0.02 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3iwz h LEU 196 Cb 0.90 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3iwz h LEU 196 CO 0.07 0.73 0.00 1.33 0.09 0.00 0.00 178.44 180.66 3iwz n VAL 197 N -3.88 0.86 -3.39 1.22 0.24 -0.89 -4.72 118.33 107.77 3iwz n VAL 197 Ca -0.02 -0.93 -0.18 0.00 -2.04 0.00 0.00 64.34 61.17 3iwz n VAL 197 Cb 0.59 0.59 0.07 0.00 -1.47 0.00 0.00 33.84 33.62 3iwz n VAL 197 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iwz n GLY 198 N 0.20 -0.90 3.28 7.63 0.00 -0.64 -5.02 105.19 109.74 3iwz n GLY 198 Ca 0.07 0.43 -0.16 0.00 0.00 0.00 0.00 46.02 46.36 3iwz n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwz s SER 200 N -3.28 5.10 0.15 0.00 1.04 -1.26 -4.56 113.70 110.88 3iwz s SER 200 Ca 0.38 1.49 -0.15 0.00 0.48 0.00 0.00 55.95 58.15 3iwz s SER 200 Cb 0.06 -2.32 0.03 0.00 0.10 0.00 0.00 66.02 63.89 3iwz s SER 200 CO 0.16 -1.61 1.73 -0.09 0.98 0.00 0.00 173.24 174.41 3iwz h ARG 201 N -0.83 0.67 -0.61 4.02 2.43 -1.92 -2.16 114.38 115.98 3iwz h ARG 201 Ca -0.45 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 3iwz h ARG 201 Cb 1.23 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 3iwz h ARG 201 CO 0.58 0.57 0.38 1.05 -1.51 0.00 0.00 179.97 181.04 3iwz h GLU 202 N 0.61 0.82 -0.95 0.20 -0.00 -1.92 -0.27 114.58 113.07 3iwz h GLU 202 Ca 0.16 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.36 59.45 3iwz h GLU 202 Cb 0.12 -0.18 -0.05 0.00 -0.00 0.00 0.00 28.75 28.65 3iwz h GLU 202 CO -0.02 0.57 0.57 1.98 -0.00 0.00 0.00 179.01 182.10 3iwz h MET 203 N 0.83 1.29 -0.74 1.06 4.05 -1.89 0.20 114.93 119.72 3iwz h MET 203 Ca 0.22 -0.12 -0.05 0.00 -0.28 0.00 0.00 59.70 59.47 3iwz h MET 203 Cb -0.06 -0.27 -0.03 0.00 -0.80 0.00 0.00 31.60 30.44 3iwz h MET 203 CO -0.04 0.90 0.27 0.00 0.23 0.00 0.00 176.91 178.27 3iwz h ALA 204 N 1.31 1.07 -0.42 0.39 0.00 -0.72 0.53 119.26 121.43 3iwz h ALA 204 Ca 0.34 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3iwz h ALA 204 Cb -0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3iwz h ALA 204 CO -0.06 0.65 -0.04 0.78 0.00 0.00 0.00 179.25 180.57 3iwz h GLY 205 N 1.12 0.75 0.93 0.00 0.00 0.29 -1.64 103.07 104.52 3iwz h GLY 205 Ca 0.25 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 3iwz h GLY 205 CO -0.02 0.47 -0.22 -0.09 0.00 0.00 0.00 176.54 176.69 3iwz h ARG 206 N 0.65 0.65 -0.54 4.80 9.65 0.12 -2.83 114.38 126.88 3iwz h ARG 206 Ca 0.12 -0.32 -0.07 0.00 -1.10 0.00 0.00 59.98 58.61 3iwz h ARG 206 Cb 0.47 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.02 3iwz h ARG 206 CO 0.02 0.92 0.05 0.28 2.80 0.00 0.00 179.97 184.05 3iwz h VAL 207 N 0.39 1.25 -0.54 0.20 2.07 -0.75 -2.65 116.25 116.23 3iwz h VAL 207 Ca 0.05 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 3iwz h VAL 207 Cb 0.77 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3iwz h VAL 207 CO 0.06 0.36 0.27 -0.07 0.02 0.00 0.00 177.57 178.20 3iwz h LEU 208 N 0.83 0.69 -1.49 2.57 3.38 -1.25 -1.62 115.31 118.42 3iwz h LEU 208 Ca 0.17 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3iwz h LEU 208 Cb 0.42 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3iwz h LEU 208 CO 0.01 0.62 -0.13 0.07 0.09 0.00 0.00 178.44 179.09 3iwz h LYS 209 N 0.72 0.00 -0.03 1.13 2.10 -1.26 -1.27 116.57 117.95 3iwz h LYS 209 Ca 0.19 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.76 3iwz h LYS 209 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 3iwz h LYS 209 CO -0.03 0.13 -0.29 -0.22 -2.00 0.00 0.00 179.45 177.05 3iwz h LYS 210 N 0.00 0.25 -0.28 0.07 3.11 -1.10 -1.50 116.57 117.12 3iwz h LYS 210 Ca -0.00 -0.23 -0.04 0.00 -2.81 0.00 0.00 60.65 57.57 3iwz h LYS 210 Cb 0.55 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.82 3iwz h LYS 210 CO 0.02 0.91 0.00 -0.07 -2.81 0.00 0.00 179.45 177.49 3iwz h LEU 211 N -0.32 0.38 0.11 5.20 3.38 -1.07 0.25 115.31 123.24 3iwz h LEU 211 Ca -0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3iwz h LEU 211 Cb 0.98 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3iwz h LEU 211 CO 0.06 0.45 -0.05 -0.61 0.09 0.00 0.00 178.44 178.38 3iwz h GLN 212 N 0.40 -0.14 -0.44 1.13 4.15 -1.23 -1.36 115.11 117.63 3iwz h GLN 212 Ca 0.09 0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.65 3iwz h GLN 212 Cb 0.27 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 3iwz h GLN 212 CO 0.01 0.29 0.32 0.00 -1.93 0.00 0.00 178.83 177.53 3iwz h ALA 213 N 0.18 2.40 0.00 3.38 0.00 -0.96 0.63 119.26 124.88 3iwz h ALA 213 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iwz h ALA 213 Cb 0.49 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3iwz h ALA 213 CO 0.02 -0.55 0.00 -0.25 0.00 0.00 0.00 179.25 178.47 3iwz n ASP 214 N -4.36 0.00 0.00 0.00 10.43 0.84 -4.89 116.55 118.56 3iwz n ASP 214 Ca 0.08 0.06 0.00 0.00 2.57 0.00 0.00 54.79 57.50 3iwz n ASP 214 Cb 0.53 -0.34 0.00 0.00 1.84 0.00 0.00 41.12 43.15 3iwz n ASP 214 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3iwz n GLY 215 N 0.95 0.52 0.09 0.44 0.00 0.22 -4.91 105.19 102.50 3iwz n GLY 215 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 3iwz n GLY 215 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3iwz h LEU 216 N 0.00 0.00 0.00 0.99 4.07 -1.42 -3.48 115.31 115.46 3iwz h LEU 216 Ca 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.84 3iwz h LEU 216 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3iwz h LEU 216 CO 0.00 0.06 0.00 0.00 -1.08 0.00 0.00 178.44 177.42 3iwz n LEU 217 N -2.21 0.00 -4.15 1.67 -0.00 -1.23 -2.37 117.00 108.70 3iwz n LEU 217 Ca 0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.95 3iwz n LEU 217 Cb 0.44 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.76 3iwz n LEU 217 CO 0.34 0.00 -0.33 -1.38 -0.00 0.00 0.00 177.39 176.02 3iwz s HIS 218 N -2.00 0.83 0.09 1.47 -3.43 -1.08 -3.83 115.29 107.35 3iwz s HIS 218 Ca 0.00 -1.12 0.00 0.00 -0.80 0.00 0.00 55.06 53.14 3iwz s HIS 218 Cb 0.00 -0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 30.61 3iwz s HIS 218 CO 0.00 -0.39 -0.03 0.00 -2.00 0.00 0.00 174.74 172.32 3iwz s ALA 219 N -3.90 0.80 -0.28 -1.38 0.00 -1.26 -0.97 121.76 114.76 3iwz s ALA 219 Ca 0.18 -1.33 -0.02 0.00 0.00 0.00 0.00 51.96 50.80 3iwz s ALA 219 Cb 0.07 0.33 0.17 0.00 0.00 0.00 0.00 23.12 23.70 3iwz s ALA 219 CO -0.02 -0.33 0.54 0.50 0.00 0.00 0.00 175.76 176.45 3iwz s ARG 220 N -3.91 0.51 1.97 0.00 3.52 0.13 -4.99 118.95 116.19 3iwz s ARG 220 Ca 0.12 0.90 0.00 0.00 -0.13 0.00 0.00 55.73 56.62 3iwz s ARG 220 Cb 0.07 0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.75 3iwz s ARG 220 CO -0.05 -0.62 0.00 0.41 -0.81 0.00 0.00 175.30 174.23 3iwz n GLY 221 N 5.41 0.42 0.60 8.12 0.00 -1.26 0.13 105.19 118.61 3iwz n GLY 221 Ca -0.02 0.67 0.06 0.00 0.00 0.00 0.00 46.02 46.73 3iwz n GLY 221 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iwz n LYS 222 N 0.00 2.86 -4.01 1.61 5.02 -1.26 -4.54 118.16 117.84 3iwz n LYS 222 Ca 0.00 -2.17 -0.34 0.00 -2.02 0.00 0.00 58.31 53.78 3iwz n LYS 222 Cb 0.00 -1.36 -0.15 0.00 -0.02 0.00 0.00 35.03 33.50 3iwz n LYS 222 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3iwz s THR 223 N -1.43 2.68 -0.19 -0.18 2.01 0.34 -1.95 115.64 116.91 3iwz s THR 223 Ca 0.25 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 3iwz s THR 223 Cb 0.16 -2.28 -0.01 0.00 0.01 0.00 0.00 72.50 70.37 3iwz s THR 223 CO 0.12 0.33 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.62 3iwz s VAL 224 N 1.33 3.28 -0.49 3.82 1.01 -1.13 0.21 120.40 128.42 3iwz s VAL 224 Ca 0.02 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 3iwz s VAL 224 Cb -0.15 -2.46 0.10 0.00 0.00 0.00 0.00 36.38 33.87 3iwz s VAL 224 CO -0.07 0.46 0.42 -0.69 0.00 0.00 0.00 175.10 175.22 3iwz s VAL 225 N 1.13 5.00 -0.16 2.92 1.01 -0.14 0.17 120.40 130.34 3iwz s VAL 225 Ca 0.01 -1.35 -0.25 0.00 0.00 0.00 0.00 61.98 60.39 3iwz s VAL 225 Cb -0.14 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 3iwz s VAL 225 CO -0.01 -0.71 0.83 -0.22 0.00 0.00 0.00 175.10 174.99 3iwz s LEU 226 N 1.57 4.19 0.27 3.92 2.96 0.83 -2.62 118.68 129.80 3iwz s LEU 226 Ca 0.04 1.20 -0.29 0.00 -0.22 0.00 0.00 54.13 54.86 3iwz s LEU 226 Cb -0.27 -3.25 -0.09 0.00 0.50 0.00 0.00 46.19 43.09 3iwz s LEU 226 CO 0.04 -0.38 1.00 -0.31 -1.32 0.00 0.00 176.35 175.38 3iwz s TYR 227 N 2.04 3.78 0.00 5.38 4.12 -1.00 -0.27 117.35 131.40 3iwz s TYR 227 Ca 0.39 1.82 0.00 0.00 0.02 0.00 0.00 57.07 59.30 3iwz s TYR 227 Cb -0.17 -3.08 0.00 0.00 -1.52 0.00 0.00 41.96 37.19 3iwz s TYR 227 CO 0.13 0.04 0.00 0.41 0.02 0.00 0.00 175.55 176.16