#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 3.14 0.44 1.96 1.47 -1.26 -4.91 116.67 117.51 3iwz s ASP 23 Ca 0.00 0.98 0.14 0.00 1.18 0.00 0.00 52.55 54.86 3iwz s ASP 23 Cb 0.00 -1.56 0.97 0.00 -0.34 0.00 0.00 42.92 41.99 3iwz s ASP 23 CO 0.00 -2.78 1.97 0.00 0.68 0.00 0.00 175.17 175.04 3iwz h ALA 24 N -1.66 1.64 0.07 2.11 0.00 -2.06 -2.89 119.26 116.48 3iwz h ALA 24 Ca -0.51 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 3iwz h ALA 24 Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3iwz h ALA 24 CO 0.59 0.26 -0.03 0.78 0.00 0.00 0.00 179.25 180.85 3iwz h GLY 25 N 0.64 -0.10 0.50 0.00 0.00 -1.99 -1.33 103.07 100.78 3iwz h GLY 25 Ca -0.00 0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.45 3iwz h GLY 25 CO 0.03 -0.04 0.33 -0.84 0.00 0.00 0.00 176.54 176.02 3iwz h THR 26 N -0.44 0.86 -0.43 4.70 2.02 -1.92 -0.51 112.91 117.19 3iwz h THR 26 Ca -0.01 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 3iwz h THR 26 Cb 0.38 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 3iwz h THR 26 CO 0.02 0.11 0.11 0.40 0.37 0.00 0.00 175.52 176.52 3iwz h ILE 27 N 0.58 1.23 -0.30 3.11 2.04 -1.46 -1.35 117.51 121.36 3iwz h ILE 27 Ca 0.33 -0.79 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 3iwz h ILE 27 Cb 0.33 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3iwz h ILE 27 CO -0.26 0.28 -0.08 -0.33 0.00 0.00 0.00 178.15 177.76 3iwz h GLU 28 N 0.56 0.49 -0.52 2.37 5.08 -0.47 0.46 114.58 122.55 3iwz h GLU 28 Ca 0.14 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 3iwz h GLU 28 Cb 0.31 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3iwz h GLU 28 CO 0.00 0.58 -0.15 0.00 -1.00 0.00 0.00 179.01 178.44 3iwz h ARG 29 N 0.46 1.01 -0.42 2.33 3.08 -0.93 -2.11 114.38 117.81 3iwz h ARG 29 Ca 0.09 -0.40 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 3iwz h ARG 29 Cb 0.43 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3iwz h ARG 29 CO 0.02 1.08 0.25 0.35 -1.07 0.00 0.00 179.97 180.60 3iwz h PHE 30 N 0.89 0.56 0.00 3.04 3.57 -0.55 -2.84 116.94 121.62 3iwz h PHE 30 Ca 0.13 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 3iwz h PHE 30 Cb 0.72 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 3iwz h PHE 30 CO 0.05 0.41 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.20 3iwz h LEU 31 N 0.56 0.00 -1.06 0.59 3.38 -0.74 -3.14 115.31 114.90 3iwz h LEU 31 Ca 0.15 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3iwz h LEU 31 Cb 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3iwz h LEU 31 CO -0.03 0.26 0.63 0.00 0.09 0.00 0.00 178.44 179.40 3iwz h ALA 32 N 1.74 1.37 -0.39 1.53 0.00 -1.12 -1.02 119.26 121.36 3iwz h ALA 32 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iwz h ALA 32 Cb 0.57 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3iwz h ALA 32 CO 0.03 0.55 0.00 0.72 0.00 0.00 0.00 179.25 180.55 3iwz n HIS 33 N -4.43 0.66 -3.49 0.00 8.25 -1.19 -4.91 115.22 110.11 3iwz n HIS 33 Ca 0.13 -0.30 -0.21 0.00 -0.26 0.00 0.00 57.72 57.07 3iwz n HIS 33 Cb 0.08 -0.06 -0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.89 5.02 -0.21 0.41 1.04 -0.39 -4.91 113.70 113.78 3iwz s SER 34 Ca 0.28 -0.85 0.02 0.00 0.48 0.00 0.00 55.95 55.88 3iwz s SER 34 Cb 0.16 -0.19 0.04 0.00 0.10 0.00 0.00 66.02 66.13 3iwz s SER 34 CO 0.17 -0.90 -0.16 -2.28 0.98 0.00 0.00 173.24 171.05 3iwz s HIS 35 N -2.57 2.92 0.09 5.02 5.65 -0.03 -4.91 115.29 121.46 3iwz s HIS 35 Ca 0.48 -1.89 -0.21 0.00 0.25 0.00 0.00 55.06 53.69 3iwz s HIS 35 Cb -0.04 -1.90 -0.07 0.00 -1.18 0.00 0.00 32.58 29.39 3iwz s HIS 35 CO 0.29 -0.83 0.64 1.03 -0.65 0.00 0.00 174.74 175.22 3iwz s ARG 36 N 1.23 4.33 -0.06 2.88 0.52 -1.26 -0.75 118.95 125.83 3iwz s ARG 36 Ca -0.00 0.87 -0.03 0.00 -0.52 0.00 0.00 55.73 56.04 3iwz s ARG 36 Cb -0.16 -3.26 0.03 0.00 0.52 0.00 0.00 34.95 32.09 3iwz s ARG 36 CO -0.10 0.59 0.14 1.03 0.02 0.00 0.00 175.30 176.98 3iwz s ARG 37 N -1.01 0.10 0.06 3.54 0.52 -0.64 -5.00 118.95 116.53 3iwz s ARG 37 Ca 0.31 0.32 -0.22 0.00 -0.52 0.00 0.00 55.73 55.63 3iwz s ARG 37 Cb -0.20 -0.12 -0.06 0.00 0.52 0.00 0.00 34.95 35.08 3iwz s ARG 37 CO 0.21 -0.13 0.65 1.03 0.02 0.00 0.00 175.30 177.08 3iwz s ARG 38 N 0.90 4.36 -0.03 3.54 0.52 -1.26 -2.09 118.95 124.89 3iwz s ARG 38 Ca -0.07 0.87 0.06 0.00 -0.52 0.00 0.00 55.73 56.07 3iwz s ARG 38 Cb -0.09 -3.30 -0.01 0.00 0.52 0.00 0.00 34.95 32.07 3iwz s ARG 38 CO -0.04 0.48 -0.20 0.71 0.02 0.00 0.00 175.30 176.27 3iwz s TYR 39 N -0.65 1.86 0.68 -0.53 2.02 0.18 -4.96 117.35 115.95 3iwz s TYR 39 Ca 0.32 -0.42 -0.13 0.00 -0.37 0.00 0.00 57.07 56.48 3iwz s TYR 39 Cb -0.20 -1.21 0.01 0.00 -0.40 0.00 0.00 41.96 40.16 3iwz s TYR 39 CO 0.20 -0.08 1.08 -2.14 -1.57 0.00 0.00 175.55 173.04 3iwz s PRO 40 N -0.33 2.84 1.14 -1.71 0.02 -1.26 -0.40 135.00 135.30 3iwz s PRO 40 Ca 0.04 1.16 -0.13 0.00 0.02 0.00 0.00 61.00 62.10 3iwz s PRO 40 Cb -0.09 -1.97 0.27 0.00 0.02 0.00 0.00 34.50 32.73 3iwz s PRO 40 CO 0.00 -1.19 1.04 -0.08 -0.33 0.00 0.00 177.00 176.44 3iwz s THR 41 N -2.71 2.01 -1.60 0.99 -1.32 -1.25 -3.74 115.64 108.02 3iwz s THR 41 Ca 0.62 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 61.02 3iwz s THR 41 Cb -0.17 -2.17 0.08 0.00 -1.51 0.00 0.00 72.50 68.73 3iwz s THR 41 CO 0.48 -0.00 0.42 0.54 -2.21 0.00 0.00 174.62 173.85 3iwz n ARG 42 N -4.78 -2.21 -5.22 7.08 1.74 -0.60 -4.93 116.66 107.74 3iwz n ARG 42 Ca 0.03 0.27 -0.32 0.00 -0.77 0.00 0.00 57.85 57.06 3iwz n ARG 42 Cb 0.55 -4.44 -0.16 0.00 -1.02 0.00 0.00 32.46 27.39 3iwz n ARG 42 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3iwz s THR 43 N -3.80 2.21 -0.67 0.55 2.01 -1.25 -4.90 115.64 109.81 3iwz s THR 43 Ca 0.32 -1.03 -0.19 0.00 0.31 0.00 0.00 61.69 61.11 3iwz s THR 43 Cb -0.18 -1.80 0.11 0.00 0.01 0.00 0.00 72.50 70.64 3iwz s THR 43 CO 0.95 0.57 0.81 -1.81 -0.69 0.00 0.00 174.62 174.46 3iwz s ASP 44 N -0.36 6.28 0.42 3.53 -0.00 -1.26 -0.76 116.67 124.52 3iwz s ASP 44 Ca 0.02 -1.53 0.11 0.00 -0.00 0.00 0.00 52.55 51.15 3iwz s ASP 44 Cb -0.12 -2.33 0.95 0.00 -0.00 0.00 0.00 42.92 41.42 3iwz s ASP 44 CO 0.02 -1.13 1.99 0.58 -0.00 0.00 0.00 175.17 176.64 3iwz h VAL 45 N 5.84 0.96 -2.02 -1.27 2.07 -1.17 -3.44 116.25 117.22 3iwz h VAL 45 Ca -0.20 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.17 3iwz h VAL 45 Cb 1.07 0.42 -0.19 0.00 -1.52 0.00 0.00 31.29 31.08 3iwz h VAL 45 CO 1.09 0.09 0.36 0.72 0.02 0.00 0.00 177.57 179.85 3iwz s PHE 46 N -5.46 -0.50 0.24 1.57 -0.12 -1.24 -5.01 117.98 107.47 3iwz s PHE 46 Ca -0.08 0.72 0.03 0.00 -0.05 0.00 0.00 56.93 57.55 3iwz s PHE 46 Cb 0.19 0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 42.99 3iwz s PHE 46 CO 0.75 -0.54 0.03 1.03 -0.05 0.00 0.00 175.22 176.44 3iwz s ARG 47 N -1.78 1.37 0.21 1.99 0.52 -1.26 -1.50 118.95 118.49 3iwz s ARG 47 Ca -0.04 -1.71 -0.32 0.00 -0.52 0.00 0.00 55.73 53.14 3iwz s ARG 47 Cb -0.00 -0.52 -0.14 0.00 0.52 0.00 0.00 34.95 34.81 3iwz s ARG 47 CO 0.01 -0.16 1.41 -2.30 0.02 0.00 0.00 175.30 174.28 3iwz n PRO 48 N -0.44 1.90 0.00 3.54 -0.02 -1.23 -1.87 135.00 136.88 3iwz n PRO 48 Ca -0.04 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3iwz n PRO 48 Cb 0.65 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 2.39 2.62 3.75 -1.23 0.00 -0.86 -4.93 105.19 106.94 3iwz n GLY 49 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 0.05 4.94 0.28 1.61 1.01 -0.78 -4.61 116.67 119.17 3iwz s ASP 50 Ca 0.00 2.31 -0.29 0.00 0.71 0.00 0.00 52.55 55.28 3iwz s ASP 50 Cb 0.00 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 41.24 3iwz s ASP 50 CO 0.00 -1.75 1.39 -2.84 0.21 0.00 0.00 175.17 172.18 3iwz s PRO 51 N -3.60 4.29 -0.34 8.23 0.02 -1.26 -1.00 135.00 141.35 3iwz s PRO 51 Ca 0.75 2.28 -0.02 0.00 0.02 0.00 0.00 61.00 64.03 3iwz s PRO 51 Cb -0.28 -3.09 0.07 0.00 0.02 0.00 0.00 34.50 31.22 3iwz s PRO 51 CO 0.37 -0.35 0.07 0.00 -0.33 0.00 0.00 177.00 176.77 3iwz s ALA 52 N -0.44 2.94 0.00 -1.55 0.00 -0.30 -4.76 121.76 117.65 3iwz s ALA 52 Ca 0.55 -2.04 0.00 0.00 0.00 0.00 0.00 51.96 50.48 3iwz s ALA 52 Cb -0.41 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.60 3iwz s ALA 52 CO 0.48 -1.46 0.06 0.41 0.00 0.00 0.00 175.76 175.24 3iwz n GLY 53 N 4.61 0.55 3.40 0.00 0.00 -1.26 -4.60 105.19 107.88 3iwz n GLY 53 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 1.40 0.08 2.61 -4.23 -1.26 0.42 115.64 114.66 3iwz s THR 54 Ca 0.00 -2.08 0.08 0.00 -1.18 0.00 0.00 61.69 58.51 3iwz s THR 54 Cb 0.00 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 3iwz s THR 54 CO 0.00 -0.26 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.40 3iwz s LEU 55 N -3.41 2.25 0.21 4.79 0.20 0.53 -4.69 118.68 118.57 3iwz s LEU 55 Ca 0.30 -0.62 0.12 0.00 0.69 0.00 0.00 54.13 54.61 3iwz s LEU 55 Cb 0.05 -0.87 -0.05 0.00 -0.43 0.00 0.00 46.19 44.90 3iwz s LEU 55 CO 0.11 0.08 -0.23 -0.31 -0.29 0.00 0.00 176.35 175.71 3iwz s TYR 56 N -1.05 2.30 -0.06 5.38 2.02 -0.09 -1.04 117.35 124.81 3iwz s TYR 56 Ca 0.06 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.42 3iwz s TYR 56 Cb -0.10 -1.11 0.02 0.00 -0.40 0.00 0.00 41.96 40.38 3iwz s TYR 56 CO 0.03 0.55 -0.06 -0.47 -1.57 0.00 0.00 175.55 174.03 3iwz s TYR 57 N -1.86 1.03 -0.42 2.71 5.04 0.43 -1.30 117.35 122.97 3iwz s TYR 57 Ca 0.23 -0.37 -0.26 0.00 -2.44 0.00 0.00 57.07 54.24 3iwz s TYR 57 Cb -0.07 -0.87 0.02 0.00 0.35 0.00 0.00 41.96 41.39 3iwz s TYR 57 CO 0.11 -0.28 0.93 0.08 -1.34 0.00 0.00 175.55 175.05 3iwz s VAL 58 N 1.09 4.52 -0.18 3.14 1.01 0.13 0.03 120.40 130.14 3iwz s VAL 58 Ca -0.08 0.96 -0.24 0.00 0.00 0.00 0.00 61.98 62.62 3iwz s VAL 58 Cb -0.14 -4.39 -0.21 0.00 0.00 0.00 0.00 36.38 31.63 3iwz s VAL 58 CO -0.01 -0.70 0.43 0.40 0.00 0.00 0.00 175.10 175.22 3iwz h ILE 59 N 5.97 1.25 -4.06 2.22 2.04 -1.18 0.07 117.51 123.81 3iwz h ILE 59 Ca -0.24 -2.22 -0.16 0.00 1.00 0.00 0.00 64.86 63.25 3iwz h ILE 59 Cb 1.08 2.63 -0.19 0.00 -0.74 0.00 0.00 36.82 39.60 3iwz h ILE 59 CO 1.01 0.42 -0.69 -0.94 0.00 0.00 0.00 178.15 177.95 3iwz s SER 60 N -6.57 0.35 0.00 1.72 1.04 -0.96 -4.62 113.70 104.67 3iwz s SER 60 Ca -0.24 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.51 3iwz s SER 60 Cb 0.02 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.27 3iwz s SER 60 CO 0.62 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 175.05 3iwz n GLY 61 N 1.08 -2.09 2.98 7.32 0.00 -1.26 -2.05 105.19 111.17 3iwz n GLY 61 Ca -0.20 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 3iwz n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iwz s SER 62 N -3.70 0.18 0.44 1.61 1.04 -1.26 -3.66 113.70 108.35 3iwz s SER 62 Ca 0.00 -0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.07 3iwz s SER 62 Cb 0.00 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 3iwz s SER 62 CO 0.00 -0.27 0.09 0.68 0.98 0.00 0.00 173.24 174.72 3iwz s VAL 63 N -1.24 0.78 0.04 5.02 -7.23 -0.51 -0.72 120.40 116.53 3iwz s VAL 63 Ca -0.14 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.04 3iwz s VAL 63 Cb -0.08 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 3iwz s VAL 63 CO -0.01 0.00 -0.05 -0.94 -0.31 0.00 0.00 175.10 173.80 3iwz s SER 64 N -3.70 0.57 -0.18 4.85 1.04 0.11 -1.32 113.70 115.07 3iwz s SER 64 Ca 0.18 -0.66 -0.03 0.00 0.48 0.00 0.00 55.95 55.92 3iwz s SER 64 Cb 0.02 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 3iwz s SER 64 CO 0.11 -0.35 -0.07 -0.63 0.98 0.00 0.00 173.24 173.29 3iwz s ILE 65 N -2.13 3.42 -0.01 -1.02 -1.09 -1.06 -1.08 121.20 118.23 3iwz s ILE 65 Ca -0.07 -0.50 0.04 0.00 -2.23 0.00 0.00 60.65 57.89 3iwz s ILE 65 Cb -0.05 -2.51 -0.01 0.00 -1.58 0.00 0.00 42.46 38.31 3iwz s ILE 65 CO -0.03 0.47 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.39 3iwz s ILE 66 N 0.87 1.04 -0.13 2.92 1.01 -0.40 0.50 121.20 127.01 3iwz s ILE 66 Ca -0.02 -0.56 -0.14 0.00 0.00 0.00 0.00 60.65 59.93 3iwz s ILE 66 Cb -0.15 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.40 3iwz s ILE 66 CO 0.01 0.30 0.34 0.00 0.00 0.00 0.00 174.94 175.58 3iwz s ALA 67 N -0.27 3.60 0.23 9.38 0.00 0.27 -0.28 121.76 134.69 3iwz s ALA 67 Ca 0.04 -0.38 0.05 0.00 0.00 0.00 0.00 51.96 51.67 3iwz s ALA 67 Cb -0.06 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 3iwz s ALA 67 CO -0.00 0.16 0.35 -2.00 0.00 0.00 0.00 175.76 174.26 3iwz s GLU 68 N 0.19 3.43 0.10 0.00 2.12 -1.26 -1.23 118.70 122.06 3iwz s GLU 68 Ca 0.19 -0.74 0.05 0.00 0.36 0.00 0.00 54.97 54.83 3iwz s GLU 68 Cb -0.14 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 31.32 3iwz s GLU 68 CO 0.06 0.44 -0.14 -1.21 -0.54 0.00 0.00 175.26 173.87 3iwz s GLU 69 N -3.89 0.92 0.00 4.30 0.41 -0.22 -4.98 118.70 115.24 3iwz s GLU 69 Ca 0.34 -1.11 0.10 0.00 -0.41 0.00 0.00 54.97 53.89 3iwz s GLU 69 Cb -0.09 -0.86 0.48 0.00 -1.78 0.00 0.00 34.13 31.88 3iwz s GLU 69 CO 0.29 0.17 1.23 -0.25 -0.49 0.00 0.00 175.26 176.21 3iwz n ASP 70 N 0.88 0.00 -1.16 -0.19 8.00 -1.26 -1.24 116.55 121.58 3iwz n ASP 70 Ca -0.18 0.23 0.09 0.00 0.71 0.00 0.00 54.79 55.64 3iwz n ASP 70 Cb 0.56 -0.34 0.28 0.00 -0.02 0.00 0.00 41.12 41.59 3iwz n ASP 70 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3iwz n ASP 71 N -1.34 3.83 -0.02 -2.24 10.43 -1.26 -4.92 116.55 121.03 3iwz n ASP 71 Ca 0.04 -2.17 -0.00 0.00 2.57 0.00 0.00 54.79 55.23 3iwz n ASP 71 Cb 0.09 -0.43 -0.00 0.00 1.84 0.00 0.00 41.12 42.61 3iwz n ASP 71 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3iwz n ASP 72 N 1.03 -4.06 -4.75 -2.24 10.43 -0.37 -5.00 116.55 111.60 3iwz n ASP 72 Ca 0.21 0.01 -0.40 0.00 2.57 0.00 0.00 54.79 57.18 3iwz n ASP 72 Cb 0.64 -1.59 -0.05 0.00 1.84 0.00 0.00 41.12 41.97 3iwz n ASP 72 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 3iwz s ARG 73 N -0.79 4.53 0.21 -1.24 0.52 -1.25 -4.87 118.95 116.05 3iwz s ARG 73 Ca 0.00 1.12 0.10 0.00 -0.52 0.00 0.00 55.73 56.43 3iwz s ARG 73 Cb 0.00 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 3iwz s ARG 73 CO 0.00 0.36 -0.20 -1.21 0.02 0.00 0.00 175.30 174.28 3iwz s GLU 74 N -0.37 1.45 -0.14 3.54 2.02 -1.26 -1.06 118.70 122.87 3iwz s GLU 74 Ca 0.38 -1.55 -0.03 0.00 0.02 0.00 0.00 54.97 53.79 3iwz s GLU 74 Cb -0.21 -1.55 0.05 0.00 0.10 0.00 0.00 34.13 32.51 3iwz s GLU 74 CO 0.24 0.31 0.04 -1.17 0.02 0.00 0.00 175.26 174.70 3iwz s LEU 75 N -2.96 0.75 0.05 1.80 2.96 -0.36 -4.59 118.68 116.33 3iwz s LEU 75 Ca 0.21 -0.51 -0.30 0.00 -0.22 0.00 0.00 54.13 53.31 3iwz s LEU 75 Cb -0.05 -0.44 -0.05 0.00 0.50 0.00 0.00 46.19 46.15 3iwz s LEU 75 CO 0.10 -0.28 1.15 -0.69 -1.32 0.00 0.00 176.35 175.30 3iwz s VAL 76 N 1.98 4.21 -0.10 1.68 1.01 -0.45 -0.56 120.40 128.17 3iwz s VAL 76 Ca 0.02 1.60 0.21 0.00 0.00 0.00 0.00 61.98 63.81 3iwz s VAL 76 Cb -0.15 -4.02 -0.25 0.00 0.00 0.00 0.00 36.38 31.95 3iwz s VAL 76 CO -0.07 0.13 0.56 0.18 0.00 0.00 0.00 175.10 175.90 3iwz n LEU 77 N 3.83 0.23 0.00 3.92 4.77 0.18 -4.66 117.00 125.27 3iwz n LEU 77 Ca 0.08 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3iwz n LEU 77 Cb 0.47 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3iwz n LEU 77 CO 0.55 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3iwz n GLY 78 N 1.32 0.18 3.29 -0.72 0.00 -1.22 -4.83 105.19 103.21 3iwz n GLY 78 Ca -0.07 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 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 2.28 -0.00 1.61 2.02 -1.26 -2.57 117.35 117.42 3iwz s TYR 79 Ca 0.00 -0.48 0.04 0.00 -0.37 0.00 0.00 57.07 56.26 3iwz s TYR 79 Cb 0.00 -1.47 -0.01 0.00 -0.40 0.00 0.00 41.96 40.08 3iwz s TYR 79 CO 0.00 -0.07 -0.12 -0.06 -1.57 0.00 0.00 175.55 173.73 3iwz s PHE 80 N -0.50 1.06 0.00 2.71 0.08 -0.43 -4.98 117.98 115.91 3iwz s PHE 80 Ca 0.07 -0.21 0.00 0.00 0.12 0.00 0.00 56.93 56.91 3iwz s PHE 80 Cb -0.10 -0.67 0.00 0.00 -0.57 0.00 0.00 43.02 41.67 3iwz s PHE 80 CO -0.00 -0.01 0.00 0.41 -0.10 0.00 0.00 175.22 175.52 3iwz n GLY 81 N 2.70 5.20 3.76 4.36 0.00 -1.26 -1.43 105.19 118.52 3iwz n GLY 81 Ca -0.14 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.47 3iwz n GLY 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iwz n SER 82 N 0.00 3.37 0.00 1.61 3.41 -1.24 -2.55 113.62 118.22 3iwz n SER 82 Ca 0.00 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 3iwz n SER 82 Cb 0.00 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 62.35 3iwz n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iwz n GLY 83 N 0.57 3.33 3.75 5.00 0.00 0.01 -5.01 105.19 112.84 3iwz n GLY 83 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.89 4.75 -0.17 1.61 0.41 -1.06 -4.83 118.70 118.51 3iwz s GLU 84 Ca 0.00 1.40 -0.12 0.00 -0.41 0.00 0.00 54.97 55.84 3iwz s GLU 84 Cb 0.00 -3.30 -0.05 0.00 -1.78 0.00 0.00 34.13 29.00 3iwz s GLU 84 CO 0.00 0.45 0.21 -0.06 -0.49 0.00 0.00 175.26 175.37 3iwz s PHE 85 N -0.85 3.45 0.10 1.61 0.08 -1.26 -0.69 117.98 120.42 3iwz s PHE 85 Ca 0.41 0.47 0.02 0.00 0.12 0.00 0.00 56.93 57.96 3iwz s PHE 85 Cb -0.25 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 39.93 3iwz s PHE 85 CO 0.30 0.30 -0.08 0.14 -0.10 0.00 0.00 175.22 175.78 3iwz s VAL 86 N 0.31 0.79 -0.87 -0.44 -7.23 -0.42 -4.75 120.40 107.79 3iwz s VAL 86 Ca 0.12 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 3iwz s VAL 86 Cb -0.12 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.21 3iwz s VAL 86 CO 0.01 -0.79 0.00 0.61 -0.31 0.00 0.00 175.10 174.62 3iwz n GLY 87 N 0.08 0.46 0.12 2.32 0.00 -1.26 -0.91 105.19 105.99 3iwz n GLY 87 Ca -0.13 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.47 3iwz n GLY 87 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3iwz n GLU 88 N -2.24 0.47 -0.16 1.61 0.00 -1.26 -4.34 120.64 114.71 3iwz n GLU 88 Ca -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 57.16 56.80 3iwz n GLU 88 Cb 0.46 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.48 3iwz n GLU 88 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.13 179.11 3iwz h MET 89 N 0.59 0.24 0.00 3.44 4.05 -1.93 -0.11 114.93 121.21 3iwz h MET 89 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3iwz h MET 89 Cb 0.47 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 3iwz h MET 89 CO 0.00 0.16 0.00 0.41 0.23 0.00 0.00 176.91 177.71 3iwz n GLY 90 N -1.28 -0.50 0.12 1.39 0.00 -1.26 -1.47 105.19 102.19 3iwz n GLY 90 Ca 0.06 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 3iwz n GLY 90 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3iwz h LEU 91 N 0.00 0.31 0.00 0.99 5.85 -1.30 -3.38 115.31 117.78 3iwz h LEU 91 Ca 0.00 -0.28 -0.30 0.00 0.84 0.00 0.00 57.88 58.14 3iwz h LEU 91 Cb 0.02 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 3iwz h LEU 91 CO 0.00 1.13 -2.13 0.49 -0.34 0.00 0.00 178.44 177.59 3iwz n PHE 92 N -3.60 0.00 -3.90 1.25 3.72 -0.78 -4.89 117.46 109.26 3iwz n PHE 92 Ca -0.05 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.00 3iwz n PHE 92 Cb 0.88 -0.80 -0.13 0.00 -0.94 0.00 0.00 39.48 38.48 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 -2.40 2.96 -0.47 4.37 1.01 -0.54 -5.05 121.20 121.08 3iwz s ILE 93 Ca -0.12 -1.59 -0.31 0.00 0.00 0.00 0.00 60.65 58.62 3iwz s ILE 93 Cb 0.05 -2.80 -0.11 0.00 0.01 0.00 0.00 42.46 39.61 3iwz s ILE 93 CO 0.63 -0.25 2.34 -0.62 0.00 0.00 0.00 174.94 177.04 3iwz n GLU 94 N 4.58 1.00 -3.82 2.79 -0.58 -1.26 -4.28 120.64 119.07 3iwz n GLU 94 Ca -0.10 0.19 -0.11 0.00 -0.42 0.00 0.00 57.16 56.73 3iwz n GLU 94 Cb 0.43 -2.67 -0.08 0.00 -0.57 0.00 0.00 31.44 28.54 3iwz n GLU 94 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3iwz s SER 95 N 9.06 -0.01 0.00 1.62 0.15 -1.26 -5.05 113.70 118.21 3iwz s SER 95 Ca 1.10 -0.33 0.09 0.00 0.70 0.00 0.00 55.95 57.50 3iwz s SER 95 Cb -0.67 0.31 0.15 0.00 -1.71 0.00 0.00 66.02 64.10 3iwz s SER 95 CO 0.41 -0.58 0.98 -0.90 1.20 0.00 0.00 173.24 174.35 3iwz n ASP 96 N 0.61 2.21 -4.13 5.45 5.75 -1.26 -4.77 116.55 120.41 3iwz n ASP 96 Ca -0.19 -1.66 -0.09 0.00 -0.01 0.00 0.00 54.79 52.84 3iwz n ASP 96 Cb 0.59 -0.09 -0.10 0.00 -1.03 0.00 0.00 41.12 40.50 3iwz n ASP 96 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3iwz s THR 97 N -0.86 0.51 0.43 2.12 -4.23 -1.26 -1.14 115.64 111.20 3iwz s THR 97 Ca 0.14 -1.80 -0.18 0.00 -1.18 0.00 0.00 61.69 58.67 3iwz s THR 97 Cb 0.08 -1.51 -0.09 0.00 1.34 0.00 0.00 72.50 72.32 3iwz s THR 97 CO 0.12 -0.87 0.90 -0.13 -0.54 0.00 0.00 174.62 174.10 3iwz s ARG 98 N -3.63 4.06 0.00 3.99 1.81 -0.17 -4.65 118.95 120.36 3iwz s ARG 98 Ca 0.08 0.92 0.04 0.00 -1.72 0.00 0.00 55.73 55.06 3iwz s ARG 98 Cb 0.05 -2.23 -0.00 0.00 -0.45 0.00 0.00 34.95 32.31 3iwz s ARG 98 CO -0.06 -0.07 0.42 0.39 -0.68 0.00 0.00 175.30 175.31 3iwz n GLU 99 N -0.93 2.48 -4.14 3.54 -0.58 -1.26 -2.04 120.64 117.71 3iwz n GLU 99 Ca 0.06 -0.41 -0.11 0.00 -0.42 0.00 0.00 57.16 56.27 3iwz n GLU 99 Cb 0.54 -0.90 -0.08 0.00 -0.57 0.00 0.00 31.44 30.42 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 -0.86 0.00 -0.11 2.62 -7.23 -1.26 -4.80 120.40 108.77 3iwz s VAL 100 Ca 0.04 -1.81 -0.12 0.00 -1.81 0.00 0.00 61.98 58.27 3iwz s VAL 100 Cb 0.03 -2.42 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 3iwz s VAL 100 CO 0.11 0.00 0.28 -0.63 -0.31 0.00 0.00 175.10 174.55 3iwz s ILE 101 N -4.07 5.28 -0.34 -0.62 1.01 0.61 -3.54 121.20 119.53 3iwz s ILE 101 Ca 0.34 0.54 -0.05 0.00 0.00 0.00 0.00 60.65 61.48 3iwz s ILE 101 Cb 0.04 -3.59 0.05 0.00 0.01 0.00 0.00 42.46 38.97 3iwz s ILE 101 CO 0.12 0.50 0.09 -0.22 0.00 0.00 0.00 174.94 175.43 3iwz s LEU 102 N -0.35 4.32 -0.08 2.97 2.96 -0.56 -1.28 118.68 126.66 3iwz s LEU 102 Ca 0.18 -1.30 0.04 0.00 -0.22 0.00 0.00 54.13 52.83 3iwz s LEU 102 Cb -0.14 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 3iwz s LEU 102 CO 0.06 -0.34 -0.21 -0.60 -1.32 0.00 0.00 176.35 173.95 3iwz s ARG 103 N 1.33 2.83 0.24 1.98 3.52 -0.24 -0.48 118.95 128.12 3iwz s ARG 103 Ca -0.02 -0.82 -0.30 0.00 -0.13 0.00 0.00 55.73 54.46 3iwz s ARG 103 Cb -0.20 -2.32 -0.09 0.00 -1.56 0.00 0.00 34.95 30.78 3iwz s ARG 103 CO 0.01 0.33 1.08 0.95 -0.81 0.00 0.00 175.30 176.87 3iwz s THR 104 N -0.02 3.68 -0.45 4.11 -4.23 0.06 0.09 115.64 118.87 3iwz s THR 104 Ca -0.06 1.60 0.14 0.00 -1.18 0.00 0.00 61.69 62.18 3iwz s THR 104 Cb -0.15 -4.02 -0.17 0.00 1.34 0.00 0.00 72.50 69.50 3iwz s THR 104 CO 0.05 0.34 0.50 0.54 -0.54 0.00 0.00 174.62 175.51 3iwz n ARG 105 N 1.65 1.79 -4.08 3.99 5.12 0.10 -1.56 116.66 123.67 3iwz n ARG 105 Ca 0.00 -0.04 -0.12 0.00 -1.93 0.00 0.00 57.85 55.76 3iwz n ARG 105 Cb 0.45 -1.21 -0.06 0.00 -1.16 0.00 0.00 32.46 30.49 3iwz n ARG 105 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3iwz s THR 106 N -2.52 0.00 0.45 0.55 -4.23 -1.18 -4.69 115.64 104.02 3iwz s THR 106 Ca 0.02 -1.62 -0.25 0.00 -1.18 0.00 0.00 61.69 58.66 3iwz s THR 106 Cb 0.10 -2.45 -0.08 0.00 1.34 0.00 0.00 72.50 71.41 3iwz s THR 106 CO 0.57 0.00 1.36 -1.58 -0.54 0.00 0.00 174.62 174.44 3iwz s GLN 107 N -3.63 3.70 0.06 3.99 0.74 -1.26 -3.97 119.66 119.29 3iwz s GLN 107 Ca 0.29 2.28 0.00 0.00 0.05 0.00 0.00 55.36 57.99 3iwz s GLN 107 Cb 0.01 -2.62 -0.04 0.00 1.10 0.00 0.00 33.01 31.47 3iwz s GLN 107 CO 0.15 -0.75 -0.05 0.00 -0.55 0.00 0.00 175.29 174.09 3iwz s GLU 109 N -3.16 2.63 -0.02 0.00 2.12 -0.87 0.51 118.70 119.91 3iwz s GLU 109 Ca 0.02 -1.06 0.06 0.00 0.36 0.00 0.00 54.97 54.36 3iwz s GLU 109 Cb 0.02 -2.70 -0.02 0.00 0.26 0.00 0.00 34.13 31.68 3iwz s GLU 109 CO -0.05 -0.37 -0.21 -0.51 -0.54 0.00 0.00 175.26 173.57 3iwz s LEU 110 N 1.21 2.37 -0.29 2.70 1.43 -0.89 -0.59 118.68 124.62 3iwz s LEU 110 Ca -0.01 -0.38 -0.09 0.00 -1.03 0.00 0.00 54.13 52.62 3iwz s LEU 110 Cb -0.16 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 3iwz s LEU 110 CO -0.09 0.32 0.13 0.00 0.23 0.00 0.00 176.35 176.93 3iwz s ALA 111 N -0.70 3.24 0.07 4.21 0.00 0.10 -1.63 121.76 127.05 3iwz s ALA 111 Ca 0.11 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.77 3iwz s ALA 111 Cb -0.10 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 3iwz s ALA 111 CO 0.00 -0.79 0.10 -2.00 0.00 0.00 0.00 175.76 173.07 3iwz s GLU 112 N 1.61 2.98 -0.28 0.00 2.12 0.07 -0.43 118.70 124.77 3iwz s GLU 112 Ca 0.05 -0.63 -0.18 0.00 0.36 0.00 0.00 54.97 54.56 3iwz s GLU 112 Cb -0.17 -2.79 0.08 0.00 0.26 0.00 0.00 34.13 31.52 3iwz s GLU 112 CO 0.05 0.58 0.73 -1.50 -0.54 0.00 0.00 175.26 174.59 3iwz s ILE 113 N -1.39 0.00 0.62 -3.70 2.07 -0.21 -0.85 121.20 117.75 3iwz s ILE 113 Ca 0.30 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.36 3iwz s ILE 113 Cb -0.12 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.45 3iwz s ILE 113 CO 0.22 0.00 1.19 -0.94 -1.91 0.00 0.00 174.94 173.50 3iwz s SER 114 N 1.26 5.01 0.11 4.50 1.04 -1.26 -0.35 113.70 124.02 3iwz s SER 114 Ca -0.07 2.32 -0.20 0.00 0.48 0.00 0.00 55.95 58.49 3iwz s SER 114 Cb -0.05 -2.59 -0.08 0.00 0.10 0.00 0.00 66.02 63.41 3iwz s SER 114 CO -0.14 -1.71 1.70 1.88 0.98 0.00 0.00 173.24 175.95 3iwz h TYR 115 N 0.57 0.29 -0.25 5.02 0.05 -0.35 -1.19 116.97 121.10 3iwz h TYR 115 Ca -0.49 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.25 3iwz h TYR 115 Cb 1.29 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.92 3iwz h TYR 115 CO 0.48 0.26 0.05 0.93 -1.05 0.00 0.00 178.16 178.84 3iwz h GLU 116 N 0.22 0.36 -0.23 4.88 5.08 -1.93 -0.07 114.58 122.89 3iwz h GLU 116 Ca 0.07 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3iwz h GLU 116 Cb 0.08 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3iwz h GLU 116 CO -0.01 0.34 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.15 3iwz h ARG 117 N 0.36 0.48 0.00 2.33 2.43 -1.85 -2.82 114.38 115.31 3iwz h ARG 117 Ca 0.09 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3iwz h ARG 117 Cb 0.15 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3iwz h ARG 117 CO -0.00 0.74 0.00 1.25 -1.51 0.00 0.00 179.97 180.45 3iwz h LEU 118 N 0.19 0.00 0.07 3.80 5.85 -0.48 -1.55 115.31 123.19 3iwz h LEU 118 Ca 0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3iwz h LEU 118 Cb 0.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3iwz h LEU 118 CO 0.03 0.00 -0.03 1.56 -0.34 0.00 0.00 178.44 179.66 3iwz h GLN 119 N 0.00 -0.09 -0.16 1.25 1.08 -0.93 -1.78 115.11 114.48 3iwz h GLN 119 Ca 0.00 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.25 3iwz h GLN 119 Cb 0.54 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.95 3iwz h GLN 119 CO 0.00 0.48 -0.09 1.96 -0.95 0.00 0.00 178.83 180.23 3iwz h GLN 120 N -0.80 -0.07 -0.54 1.46 4.20 -1.40 -1.03 115.11 116.92 3iwz h GLN 120 Ca -0.01 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.80 3iwz h GLN 120 Cb 0.61 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.33 3iwz h GLN 120 CO 0.02 -0.05 0.13 -0.07 -0.67 0.00 0.00 178.83 178.19 3iwz h LEU 121 N -0.08 0.04 -2.27 1.46 3.38 -1.34 0.41 115.31 116.92 3iwz h LEU 121 Ca 0.09 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.19 3iwz h LEU 121 Cb 0.22 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3iwz h LEU 121 CO -0.21 0.04 0.11 -0.26 0.09 0.00 0.00 178.44 178.21 3iwz h PHE 122 N 0.27 0.00 0.00 1.13 0.05 -0.48 0.22 116.94 118.14 3iwz h PHE 122 Ca 0.28 0.00 -0.21 0.00 3.82 0.00 0.00 57.97 61.86 3iwz h PHE 122 Cb 0.38 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.30 3iwz h PHE 122 CO -0.22 0.00 -1.04 1.96 -0.18 0.00 0.00 178.31 178.83 3iwz h GLN 123 N 0.00 0.00 0.00 1.51 1.08 0.10 -3.29 115.11 114.52 3iwz h GLN 123 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3iwz h GLN 123 Cb 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3iwz h GLN 123 CO -0.00 0.87 0.00 0.25 -0.95 0.00 0.00 178.83 179.00 3iwz n THR 124 N -3.29 0.00 -0.35 -0.54 -2.24 -0.59 -4.77 114.28 102.51 3iwz n THR 124 Ca -0.02 0.00 0.25 0.00 -2.27 0.00 0.00 64.05 62.01 3iwz n THR 124 Cb 0.93 0.00 0.50 0.00 -2.10 0.00 0.00 70.33 69.66 3iwz n THR 124 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3iwz h SER 125 N 0.00 0.48 -0.53 3.42 0.87 -1.81 -0.29 113.55 115.69 3iwz h SER 125 Ca 0.00 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3iwz h SER 125 Cb 0.00 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3iwz h SER 125 CO 0.00 -0.03 0.00 0.18 -0.53 0.00 0.00 176.83 176.45 3iwz n LEU 126 N -4.83 4.53 -0.22 2.23 4.77 0.67 -4.63 117.00 119.52 3iwz n LEU 126 Ca 0.30 -2.57 0.11 0.00 -0.03 0.00 0.00 56.01 53.82 3iwz n LEU 126 Cb 0.98 -0.55 0.40 0.00 -2.33 0.00 0.00 43.42 41.93 3iwz n LEU 126 CO 0.18 0.75 1.22 -1.28 -1.33 0.00 0.00 177.39 176.93 3iwz h SER 127 N 3.40 0.59 0.92 -1.43 0.87 -0.97 -1.10 113.55 115.83 3iwz h SER 127 Ca 0.00 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.50 3iwz h SER 127 Cb 1.44 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.29 3iwz h SER 127 CO 0.24 0.32 -0.42 -0.65 -0.53 0.00 0.00 176.83 175.79 3iwz h PRO 128 N 0.64 0.00 -0.00 2.24 0.11 -1.82 -3.05 132.00 130.12 3iwz h PRO 128 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 3iwz h PRO 128 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3iwz h PRO 128 CO -0.16 0.42 -0.34 -0.25 -0.21 0.00 0.00 178.00 177.47 3iwz n ASP 129 N -3.50 0.43 -0.09 -2.05 8.00 -0.49 -4.41 116.55 114.44 3iwz n ASP 129 Ca 0.00 -0.16 -0.10 0.00 0.71 0.00 0.00 54.79 55.24 3iwz n ASP 129 Cb 0.56 0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.66 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 3.10 -0.40 -0.74 2.24 0.00 -1.25 0.74 119.26 122.95 3iwz h ALA 130 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3iwz h ALA 130 Cb 0.49 0.82 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3iwz h ALA 130 CO 0.00 -0.84 0.39 -1.35 0.00 0.00 0.00 179.25 177.45 3iwz h PRO 131 N -0.35 1.05 -0.41 0.00 0.11 -1.80 -0.95 132.00 129.65 3iwz h PRO 131 Ca 0.13 -0.13 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3iwz h PRO 131 Cb 0.58 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 3iwz h PRO 131 CO -0.52 0.79 0.14 0.00 -0.21 0.00 0.00 178.00 178.20 3iwz h ARG 132 N 1.03 0.62 -0.28 1.05 3.08 -1.71 0.16 114.38 118.34 3iwz h ARG 132 Ca 0.26 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 3iwz h ARG 132 Cb 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3iwz h ARG 132 CO -0.04 0.61 -0.06 0.82 -1.07 0.00 0.00 179.97 180.23 3iwz h ILE 133 N 0.51 1.28 -0.53 2.04 2.04 -0.71 -1.22 117.51 120.91 3iwz h ILE 133 Ca 0.13 -1.08 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 3iwz h ILE 133 Cb 0.24 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3iwz h ILE 133 CO -0.01 0.34 0.09 -0.07 0.00 0.00 0.00 178.15 178.50 3iwz h LEU 134 N 0.29 0.84 -0.33 1.44 3.38 -1.13 -1.53 115.31 118.27 3iwz h LEU 134 Ca 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3iwz h LEU 134 Cb 0.54 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3iwz h LEU 134 CO 0.03 0.89 0.17 0.22 0.09 0.00 0.00 178.44 179.84 3iwz h TYR 135 N 0.76 0.46 -0.79 1.13 3.20 -0.90 0.15 116.97 120.99 3iwz h TYR 135 Ca 0.16 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.03 3iwz h TYR 135 Cb 0.40 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 3iwz h TYR 135 CO 0.03 0.38 0.52 0.00 -1.64 0.00 0.00 178.16 177.46 3iwz h ALA 136 N 1.04 1.46 -0.12 1.82 0.00 -1.01 0.24 119.26 122.69 3iwz h ALA 136 Ca 0.12 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 3iwz h ALA 136 Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3iwz h ALA 136 CO -0.02 0.49 -0.59 0.82 0.00 0.00 0.00 179.25 179.95 3iwz h ILE 137 N 1.05 1.36 -0.52 0.00 2.04 -0.83 -1.16 117.51 119.44 3iwz h ILE 137 Ca 0.30 -1.91 -0.00 0.00 1.00 0.00 0.00 64.86 64.25 3iwz h ILE 137 Cb -0.08 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3iwz h ILE 137 CO -0.07 0.58 0.31 1.23 0.00 0.00 0.00 178.15 180.19 3iwz h GLY 138 N 1.28 0.75 0.97 5.37 0.00 0.96 0.34 103.07 112.74 3iwz h GLY 138 Ca -0.00 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.02 3iwz h GLY 138 CO 0.10 0.31 0.25 -2.08 0.00 0.00 0.00 176.54 175.12 3iwz h VAL 139 N 0.69 1.08 -0.32 4.60 2.07 -0.16 0.16 116.25 124.38 3iwz h VAL 139 Ca 0.18 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 3iwz h VAL 139 Cb 0.00 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3iwz h VAL 139 CO -0.03 0.09 0.09 1.56 0.02 0.00 0.00 177.57 179.30 3iwz h GLN 140 N 0.52 0.50 -0.65 1.57 4.20 -0.63 -1.50 115.11 119.12 3iwz h GLN 140 Ca 0.15 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 3iwz h GLN 140 Cb -0.04 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 3iwz h GLN 140 CO -0.05 0.55 0.27 -0.07 -0.67 0.00 0.00 178.83 178.86 3iwz h LEU 141 N 0.36 0.86 -0.94 1.46 3.38 -0.16 -2.10 115.31 118.17 3iwz h LEU 141 Ca 0.10 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3iwz h LEU 141 Cb 0.27 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3iwz h LEU 141 CO -0.00 0.76 0.16 -1.28 0.09 0.00 0.00 178.44 178.17 3iwz h SER 142 N 0.93 0.87 -0.29 -0.43 0.87 -0.26 -0.99 113.55 114.25 3iwz h SER 142 Ca 0.22 -0.16 -0.15 0.00 -1.23 0.00 0.00 61.79 60.47 3iwz h SER 142 Cb 0.16 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 3iwz h SER 142 CO -0.02 0.84 -0.40 0.11 -0.53 0.00 0.00 176.83 176.84 3iwz h LYS 143 N 0.90 0.78 -0.84 2.24 1.57 -0.84 -2.54 116.57 117.85 3iwz h LYS 143 Ca 0.20 -0.45 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 3iwz h LYS 143 Cb 0.30 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 3iwz h LYS 143 CO -0.00 1.08 0.38 0.00 -0.57 0.00 0.00 179.45 180.34 3iwz h ARG 144 N 0.54 1.22 -0.57 3.15 3.08 -1.19 -0.61 114.38 120.00 3iwz h ARG 144 Ca 0.03 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 3iwz h ARG 144 Cb 0.99 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 3iwz h ARG 144 CO 0.09 0.95 0.24 1.25 -1.07 0.00 0.00 179.97 181.44 3iwz h LEU 145 N 1.20 0.77 -0.07 3.04 5.85 -1.13 0.22 115.31 125.20 3iwz h LEU 145 Ca 0.29 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3iwz h LEU 145 Cb 0.15 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 3iwz h LEU 145 CO -0.03 0.72 0.00 0.25 -0.34 0.00 0.00 178.44 179.03 3iwz h LEU 146 N 0.78 0.11 -0.68 2.25 5.85 -1.17 0.13 115.31 122.58 3iwz h LEU 146 Ca 0.19 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 3iwz h LEU 146 Cb 0.17 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3iwz h LEU 146 CO -0.02 0.39 0.42 0.44 -0.34 0.00 0.00 178.44 179.33 3iwz h ASP 147 N -0.16 0.81 0.67 1.25 3.32 -0.98 -0.87 116.42 120.46 3iwz h ASP 147 Ca 0.02 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 3iwz h ASP 147 Cb 0.33 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3iwz h ASP 147 CO 0.00 0.63 -0.40 0.74 -1.72 0.00 0.00 179.24 178.48 3iwz h THR 148 N 0.93 1.05 -0.24 0.35 2.02 -0.50 -0.46 112.91 116.05 3iwz h THR 148 Ca 0.25 -1.52 -0.11 0.00 0.77 0.00 0.00 66.41 65.79 3iwz h THR 148 Cb -0.04 1.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3iwz h THR 148 CO -0.05 0.40 -0.29 0.74 0.37 0.00 0.00 175.52 176.69 3iwz h THR 149 N 0.00 1.31 -0.47 3.16 2.02 -0.35 -0.90 112.91 117.68 3iwz h THR 149 Ca -0.00 -1.48 -0.10 0.00 0.77 0.00 0.00 66.41 65.60 3iwz h THR 149 Cb 0.85 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 3iwz h THR 149 CO 0.05 0.46 -0.12 0.03 0.37 0.00 0.00 175.52 176.32 3iwz h ARG 150 N 0.34 0.87 -0.72 6.66 3.08 -0.90 -2.03 114.38 121.68 3iwz h ARG 150 Ca 0.03 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.72 3iwz h ARG 150 Cb 0.86 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 3iwz h ARG 150 CO 0.07 0.94 0.23 -0.22 -1.07 0.00 0.00 179.97 179.93 3iwz h LYS 151 N 0.78 1.10 -0.31 0.04 3.64 -0.95 -1.24 116.57 119.63 3iwz h LYS 151 Ca 0.13 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3iwz h LYS 151 Cb 0.64 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3iwz h LYS 151 CO 0.04 0.93 0.16 0.00 -2.27 0.00 0.00 179.45 178.31 3iwz h ALA 152 N 1.19 0.39 -0.42 5.00 0.00 -0.65 -0.26 119.26 124.52 3iwz h ALA 152 Ca 0.23 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3iwz h ALA 152 Cb 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3iwz h ALA 152 CO -0.01 -0.06 0.21 0.77 0.00 0.00 0.00 179.25 180.16 3iwz h SER 153 N 0.37 0.32 -0.68 0.00 0.02 -1.11 0.67 113.55 113.13 3iwz h SER 153 Ca 0.11 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 3iwz h SER 153 Cb 0.09 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3iwz h SER 153 CO -0.02 0.23 0.19 0.03 -1.14 0.00 0.00 176.83 176.12 3iwz h ARG 154 N 0.43 1.08 0.00 3.45 3.08 -0.97 0.93 114.38 122.39 3iwz h ARG 154 Ca 0.18 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 3iwz h ARG 154 Cb 0.08 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3iwz h ARG 154 CO -0.12 0.94 -0.34 -0.07 -1.07 0.00 0.00 179.97 179.31 3iwz h LEU 155 N 1.04 0.00 0.16 3.04 3.38 -0.55 -0.58 115.31 121.80 3iwz h LEU 155 Ca 0.22 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.97 3iwz h LEU 155 Cb 0.33 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.10 3iwz h LEU 155 CO -0.00 0.34 -0.98 0.00 0.09 0.00 0.00 178.44 177.89 3iwz h ALA 156 N 1.66 -0.10 0.00 1.53 0.00 -0.06 -3.42 119.26 118.87 3iwz h ALA 156 Ca -0.00 -0.73 -0.15 0.00 0.00 0.00 0.00 54.91 54.03 3iwz h ALA 156 Cb 0.62 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3iwz h ALA 156 CO 0.04 0.46 -1.66 1.19 0.00 0.00 0.00 179.25 179.29 3iwz n PHE 157 N -4.02 0.00 -3.47 0.00 3.72 0.25 -5.03 117.46 108.91 3iwz n PHE 157 Ca -0.14 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.91 3iwz n PHE 157 Cb 0.89 -0.45 -0.06 0.00 -0.94 0.00 0.00 39.48 38.93 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 -4.54 4.33 0.80 4.37 1.43 -0.23 -5.07 118.68 119.78 3iwz s LEU 158 Ca -0.05 0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 53.85 3iwz s LEU 158 Cb 0.04 -3.14 0.07 0.00 0.03 0.00 0.00 46.19 43.18 3iwz s LEU 158 CO 0.43 0.13 1.14 1.51 0.23 0.00 0.00 176.35 179.78 3iwz s ASP 159 N -1.78 4.60 0.16 2.29 3.84 -1.26 -4.72 116.67 119.81 3iwz s ASP 159 Ca 0.36 0.98 -0.23 0.00 -0.00 0.00 0.00 52.55 53.65 3iwz s ASP 159 Cb -0.14 -1.60 0.05 0.00 -1.38 0.00 0.00 42.92 39.85 3iwz s ASP 159 CO 0.19 -1.86 1.61 0.58 -0.00 0.00 0.00 175.17 175.68 3iwz h VAL 160 N -1.02 0.27 -0.58 2.11 2.07 -1.95 -0.69 116.25 116.45 3iwz h VAL 160 Ca -0.47 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.17 3iwz h VAL 160 Cb 1.30 0.27 -0.09 0.00 -1.52 0.00 0.00 31.29 31.25 3iwz h VAL 160 CO 0.64 0.00 0.08 0.74 0.02 0.00 0.00 177.57 179.05 3iwz h THR 161 N -0.27 0.61 -0.23 2.57 2.02 -1.98 0.64 112.91 116.28 3iwz h THR 161 Ca 0.16 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3iwz h THR 161 Cb 0.52 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3iwz h THR 161 CO -0.49 0.04 0.12 -0.78 0.37 0.00 0.00 175.52 174.78 3iwz h ASP 162 N 0.20 0.30 -0.97 4.18 -0.00 -1.73 -0.57 116.42 117.83 3iwz h ASP 162 Ca 0.30 -0.11 0.04 0.00 -0.00 0.00 0.00 57.03 57.26 3iwz h ASP 162 Cb 0.46 -0.08 -0.06 0.00 -0.00 0.00 0.00 39.33 39.65 3iwz h ASP 162 CO -0.42 0.32 0.63 0.03 -0.00 0.00 0.00 179.24 179.80 3iwz h ARG 163 N 0.25 1.16 -0.56 0.28 3.08 -0.08 0.47 114.38 118.98 3iwz h ARG 163 Ca 0.08 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 3iwz h ARG 163 Cb 0.10 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 3iwz h ARG 163 CO -0.01 0.77 -0.10 0.82 -1.07 0.00 0.00 179.97 180.38 3iwz h ILE 164 N 1.20 1.27 -0.31 2.04 2.04 -0.58 0.10 117.51 123.27 3iwz h ILE 164 Ca 0.39 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 3iwz h ILE 164 Cb 0.05 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3iwz h ILE 164 CO -0.14 0.45 0.11 0.58 0.00 0.00 0.00 178.15 179.15 3iwz h VAL 165 N 0.93 1.19 -0.05 1.67 2.07 -0.37 -2.24 116.25 119.46 3iwz h VAL 165 Ca 0.15 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 3iwz h VAL 165 Cb 0.67 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3iwz h VAL 165 CO 0.05 0.20 0.03 0.03 0.02 0.00 0.00 177.57 177.90 3iwz h ARG 166 N 0.35 0.07 -0.75 1.57 3.08 -0.74 -2.76 114.38 115.19 3iwz h ARG 166 Ca 0.10 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.27 3iwz h ARG 166 Cb 0.21 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.16 3iwz h ARG 166 CO -0.01 0.14 0.33 1.15 -1.07 0.00 0.00 179.97 180.51 3iwz h THR 167 N -0.02 0.72 -0.18 2.04 2.02 -0.72 -1.15 112.91 115.62 3iwz h THR 167 Ca 0.02 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 3iwz h THR 167 Cb 0.09 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 3iwz h THR 167 CO -0.00 0.09 0.10 -0.07 0.37 0.00 0.00 175.52 176.01 3iwz h LEU 168 N 0.51 0.23 0.00 2.58 3.38 -1.25 0.68 115.31 121.43 3iwz h LEU 168 Ca 0.40 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3iwz h LEU 168 Cb 0.55 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3iwz h LEU 168 CO -0.36 0.23 0.00 1.41 0.09 0.00 0.00 178.44 179.82 3iwz n HIS 169 N -4.91 0.00 -0.11 1.13 8.25 -0.86 -2.25 115.22 116.46 3iwz n HIS 169 Ca -0.04 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.21 3iwz n HIS 169 Cb 0.07 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.06 3iwz n HIS 169 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3iwz n ASP 170 N -0.98 1.99 0.02 0.41 9.92 0.06 -4.37 116.55 123.61 3iwz n ASP 170 Ca 0.12 0.02 -0.10 0.00 -0.53 0.00 0.00 54.79 54.30 3iwz n ASP 170 Cb 0.06 -0.57 0.04 0.00 -0.64 0.00 0.00 41.12 40.01 3iwz n ASP 170 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3iwz h LEU 171 N -0.20 0.59 -0.04 0.64 3.38 -0.62 -2.98 115.31 116.08 3iwz h LEU 171 Ca -0.57 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.06 3iwz h LEU 171 Cb 1.85 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.43 3iwz h LEU 171 CO -0.13 1.07 0.00 -1.20 0.09 0.00 0.00 178.44 178.27 3iwz n SER 172 N -3.91 0.04 -0.78 -0.43 7.64 -1.02 -1.32 113.62 113.84 3iwz n SER 172 Ca -0.04 0.51 0.08 0.00 1.01 0.00 0.00 58.87 60.43 3iwz n SER 172 Cb 0.65 -0.52 0.23 0.00 -1.01 0.00 0.00 64.21 63.56 3iwz n SER 172 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3iwz n LYS 173 N -1.54 1.99 -3.96 1.43 4.76 -1.12 -4.65 118.16 115.07 3iwz n LYS 173 Ca 0.04 -1.53 -0.33 0.00 -2.87 0.00 0.00 58.31 53.62 3iwz n LYS 173 Cb 0.18 -1.36 -0.05 0.00 -1.84 0.00 0.00 35.03 31.96 3iwz n LYS 173 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3iwz s GLU 174 N -1.49 3.31 0.45 1.97 0.41 -0.44 -4.99 118.70 117.94 3iwz s GLU 174 Ca 0.30 -0.41 0.26 0.00 -0.41 0.00 0.00 54.97 54.72 3iwz s GLU 174 Cb 0.16 -3.01 1.30 0.00 -1.78 0.00 0.00 34.13 30.80 3iwz s GLU 174 CO 0.22 0.65 1.76 -1.35 -0.49 0.00 0.00 175.26 176.05 3iwz h PRO 175 N 3.71 0.21 -0.08 0.39 0.11 -1.89 0.35 132.00 134.80 3iwz h PRO 175 Ca -0.48 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.64 3iwz h PRO 175 Cb 1.18 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3iwz h PRO 175 CO 0.69 0.14 0.17 0.93 -0.21 0.00 0.00 178.00 179.72 3iwz h GLU 176 N 0.22 0.00 -6.32 1.05 3.07 -1.94 -3.42 114.58 107.23 3iwz h GLU 176 Ca 0.61 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.83 3iwz h GLU 176 Cb 1.91 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 29.86 3iwz h GLU 176 CO -0.21 0.00 0.85 0.00 -1.40 0.00 0.00 179.01 178.25 3iwz n ALA 177 N -2.15 0.49 -1.22 3.43 0.00 0.12 -4.96 120.51 116.22 3iwz n ALA 177 Ca -0.01 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3iwz n ALA 177 Cb 0.26 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.39 3iwz n ALA 177 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3iwz n MET 178 N 4.63 1.66 -3.64 0.00 2.81 -0.78 -4.96 117.12 116.84 3iwz n MET 178 Ca 0.21 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 56.03 3iwz n MET 178 Cb 0.24 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.68 3iwz n MET 178 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3iwz s SER 179 N -1.00 -0.80 0.04 7.83 0.15 -1.26 -4.44 113.70 114.22 3iwz s SER 179 Ca 0.00 1.32 0.03 0.00 0.70 0.00 0.00 55.95 57.99 3iwz s SER 179 Cb 0.00 1.33 -0.02 0.00 -1.71 0.00 0.00 66.02 65.62 3iwz s SER 179 CO 0.00 -0.21 -0.09 -2.28 1.20 0.00 0.00 173.24 171.86 3iwz s HIS 180 N 1.31 0.76 0.29 3.44 5.04 -0.92 -4.46 115.29 120.74 3iwz s HIS 180 Ca -0.08 -0.43 0.03 0.00 -1.54 0.00 0.00 55.06 53.05 3iwz s HIS 180 Cb -0.05 -0.45 0.64 0.00 0.04 0.00 0.00 32.58 32.76 3iwz s HIS 180 CO -0.15 -0.04 1.78 -1.35 -2.34 0.00 0.00 174.74 172.63 3iwz h PRO 181 N 4.72 0.71 -0.86 2.88 0.11 -2.01 0.95 132.00 138.51 3iwz h PRO 181 Ca -0.36 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.59 3iwz h PRO 181 Cb 1.20 -0.16 -0.08 0.00 0.11 0.00 0.00 31.00 32.07 3iwz h PRO 181 CO 0.42 0.47 0.16 1.04 -0.21 0.00 0.00 178.00 179.88 3iwz n GLN 182 N -4.79 2.67 0.00 1.05 6.02 -1.26 -4.97 117.38 116.09 3iwz n GLN 182 Ca 0.21 -1.83 0.00 0.00 -0.01 0.00 0.00 57.00 55.37 3iwz n GLN 182 Cb 0.50 -1.85 0.00 0.00 1.02 0.00 0.00 30.24 29.91 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 0.02 0.85 3.19 1.08 0.00 0.33 -4.15 105.19 106.52 3iwz n GLY 183 Ca 0.24 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 3iwz n GLY 183 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3iwz s THR 184 N 0.00 0.71 -0.18 2.61 -1.32 -0.92 -2.17 115.64 114.37 3iwz s THR 184 Ca 0.00 -1.95 -0.04 0.00 -1.21 0.00 0.00 61.69 58.49 3iwz s THR 184 Cb 0.00 -1.78 -0.02 0.00 -1.51 0.00 0.00 72.50 69.19 3iwz s THR 184 CO 0.00 -0.79 -0.04 -1.58 -2.21 0.00 0.00 174.62 170.01 3iwz s GLN 185 N -3.85 3.57 -0.02 7.08 2.00 -1.26 -2.77 119.66 124.41 3iwz s GLN 185 Ca 0.15 -0.56 0.06 0.00 -2.00 0.00 0.00 55.36 53.00 3iwz s GLN 185 Cb 0.05 -2.95 -0.01 0.00 0.80 0.00 0.00 33.01 30.90 3iwz s GLN 185 CO -0.03 0.10 -0.19 -0.51 -0.50 0.00 0.00 175.29 174.16 3iwz s LEU 186 N 0.74 2.02 -0.67 3.68 1.43 0.03 -1.86 118.68 124.04 3iwz s LEU 186 Ca -0.02 -0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 52.58 3iwz s LEU 186 Cb -0.14 -0.99 0.17 0.00 0.03 0.00 0.00 46.19 45.25 3iwz s LEU 186 CO 0.02 0.22 0.62 -0.60 0.23 0.00 0.00 176.35 176.85 3iwz s ARG 187 N -0.37 3.26 -0.20 1.70 3.52 -1.26 -0.37 118.95 125.24 3iwz s ARG 187 Ca 0.05 -2.03 -0.10 0.00 -0.13 0.00 0.00 55.73 53.52 3iwz s ARG 187 Cb -0.08 -4.36 0.07 0.00 -1.56 0.00 0.00 34.95 29.02 3iwz s ARG 187 CO -0.00 -1.32 0.47 0.14 -0.81 0.00 0.00 175.30 173.77 3iwz s VAL 188 N 1.00 -0.15 0.23 7.11 -7.23 -1.12 -4.99 120.40 115.25 3iwz s VAL 188 Ca 0.10 0.09 -0.02 0.00 -1.81 0.00 0.00 61.98 60.34 3iwz s VAL 188 Cb -0.21 -0.70 0.05 0.00 0.56 0.00 0.00 36.38 36.08 3iwz s VAL 188 CO -0.02 0.04 0.31 -1.54 -0.31 0.00 0.00 175.10 173.57 3iwz n SER 189 N 4.49 0.24 -0.04 4.85 3.41 -1.22 -4.14 113.62 121.21 3iwz n SER 189 Ca -0.20 -1.24 -0.13 0.00 -0.26 0.00 0.00 58.87 57.03 3iwz n SER 189 Cb 0.55 -0.22 -0.12 0.00 -0.26 0.00 0.00 64.21 64.17 3iwz n SER 189 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3iwz h ARG 190 N 0.00 -0.00 -0.98 4.33 3.08 -1.91 -3.04 114.38 115.86 3iwz h ARG 190 Ca -0.10 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.98 3iwz h ARG 190 Cb 0.33 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 3iwz h ARG 190 CO 0.09 0.76 0.65 0.37 -1.07 0.00 0.00 179.97 180.77 3iwz h GLN 191 N -0.76 1.23 -0.13 0.04 5.75 -1.95 -2.03 115.11 117.26 3iwz h GLN 191 Ca -0.00 -0.07 -0.16 0.00 -0.15 0.00 0.00 58.65 58.27 3iwz h GLN 191 Cb 0.76 -0.28 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 3iwz h GLN 191 CO 0.00 0.82 -0.59 1.49 -2.65 0.00 0.00 178.83 177.89 3iwz h GLU 192 N 1.27 0.42 -0.46 1.69 4.57 -1.96 -1.86 114.58 118.25 3iwz h GLU 192 Ca 0.38 -0.28 -0.09 0.00 -1.18 0.00 0.00 59.36 58.19 3iwz h GLU 192 Cb -0.05 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3iwz h GLU 192 CO -0.11 0.89 -0.09 1.25 -1.18 0.00 0.00 179.01 179.77 3iwz h LEU 193 N 0.31 0.82 -0.49 1.64 5.85 -1.35 -1.84 115.31 120.25 3iwz h LEU 193 Ca -0.00 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 3iwz h LEU 193 Cb 1.13 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 3iwz h LEU 193 CO 0.10 0.93 0.19 0.00 -0.34 0.00 0.00 178.44 179.32 3iwz h ALA 194 N 1.14 0.64 -0.85 1.25 0.00 -1.11 -2.37 119.26 117.97 3iwz h ALA 194 Ca 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3iwz h ALA 194 Cb 0.58 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3iwz h ALA 194 CO 0.04 0.27 0.44 0.00 0.00 0.00 0.00 179.25 179.99 3iwz h ARG 195 N 0.66 1.21 -0.33 0.00 3.08 -1.03 0.35 114.38 118.31 3iwz h ARG 195 Ca 0.16 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3iwz h ARG 195 Cb 0.22 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3iwz h ARG 195 CO -0.01 0.90 0.06 -0.07 -1.07 0.00 0.00 179.97 179.78 3iwz h LEU 196 N 1.20 0.52 -1.24 3.04 3.38 -1.02 -1.18 115.31 120.02 3iwz h LEU 196 Ca 0.30 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3iwz h LEU 196 Cb 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3iwz h LEU 196 CO -0.04 0.64 -0.15 1.33 0.09 0.00 0.00 178.44 180.30 3iwz n VAL 197 N -4.61 0.00 -2.56 1.22 0.24 -0.92 -4.69 118.33 107.01 3iwz n VAL 197 Ca -0.02 -0.32 -0.08 0.00 -2.04 0.00 0.00 64.34 61.88 3iwz n VAL 197 Cb 0.21 1.01 0.04 0.00 -1.47 0.00 0.00 33.84 33.63 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 1.32 -0.12 2.08 7.63 0.00 0.02 -4.98 105.19 111.14 3iwz n GLY 198 Ca 0.14 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.46 6.54 0.33 0.00 1.04 -1.26 -4.49 113.70 113.40 3iwz s SER 200 Ca 0.24 1.37 0.01 0.00 0.48 0.00 0.00 55.95 58.04 3iwz s SER 200 Cb 0.01 -2.43 0.56 0.00 0.10 0.00 0.00 66.02 64.26 3iwz s SER 200 CO 0.17 -0.54 1.98 -0.09 0.98 0.00 0.00 173.24 175.74 3iwz h ARG 201 N 0.93 0.89 -0.23 4.02 2.43 -1.89 -0.31 114.38 120.22 3iwz h ARG 201 Ca -0.47 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 58.58 3iwz h ARG 201 Cb 1.19 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 3iwz h ARG 201 CO 0.62 0.61 -0.07 1.05 -1.51 0.00 0.00 179.97 180.67 3iwz h GLU 202 N 0.91 0.45 -0.19 0.20 4.11 -1.92 0.67 114.58 118.80 3iwz h GLU 202 Ca 0.24 -0.18 -0.00 0.00 0.07 0.00 0.00 59.36 59.49 3iwz h GLU 202 Cb -0.05 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3iwz h GLU 202 CO -0.05 0.70 0.11 1.98 0.07 0.00 0.00 179.01 181.82 3iwz h MET 203 N 0.18 0.26 -0.93 1.06 4.05 -1.89 0.67 114.93 118.34 3iwz h MET 203 Ca 0.06 -0.03 0.13 0.00 -0.28 0.00 0.00 59.70 59.58 3iwz h MET 203 Cb 0.54 -0.05 -0.09 0.00 -0.80 0.00 0.00 31.60 31.20 3iwz h MET 203 CO 0.03 0.23 0.55 0.00 0.23 0.00 0.00 176.91 177.95 3iwz h ALA 204 N 1.01 1.41 0.27 0.39 0.00 -0.94 0.16 119.26 121.55 3iwz h ALA 204 Ca 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3iwz h ALA 204 Cb 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3iwz h ALA 204 CO -0.01 0.09 -0.13 0.78 0.00 0.00 0.00 179.25 179.98 3iwz h GLY 205 N 0.83 -0.38 0.25 0.00 0.00 0.76 -1.57 103.07 102.97 3iwz h GLY 205 Ca 0.48 0.14 0.17 0.00 0.00 0.00 0.00 47.33 48.12 3iwz h GLY 205 CO -0.30 -0.14 0.61 3.21 0.00 0.00 0.00 176.54 179.93 3iwz h ARG 206 N -0.57 0.75 -0.37 4.80 3.08 0.13 0.15 114.38 122.34 3iwz h ARG 206 Ca -0.04 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 3iwz h ARG 206 Cb 0.42 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3iwz h ARG 206 CO 0.06 0.49 -0.17 0.28 -1.07 0.00 0.00 179.97 179.57 3iwz h VAL 207 N 0.77 1.28 -0.63 2.04 2.07 -0.53 -1.70 116.25 119.56 3iwz h VAL 207 Ca 0.54 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 3iwz h VAL 207 Cb 0.83 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 3iwz h VAL 207 CO -0.32 0.43 0.19 -0.07 0.02 0.00 0.00 177.57 177.81 3iwz h LEU 208 N 0.56 0.89 -0.75 2.57 3.38 -0.20 0.40 115.31 122.16 3iwz h LEU 208 Ca 0.08 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3iwz h LEU 208 Cb 0.71 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3iwz h LEU 208 CO 0.05 0.84 0.41 0.50 0.09 0.00 0.00 178.44 180.33 3iwz h LYS 209 N 0.92 1.05 0.00 1.13 3.64 -0.50 -1.33 116.57 121.49 3iwz h LYS 209 Ca 0.21 -0.12 -0.17 0.00 -1.27 0.00 0.00 60.65 59.29 3iwz h LYS 209 Cb 0.28 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3iwz h LYS 209 CO -0.01 0.78 -0.82 -0.22 -2.27 0.00 0.00 179.45 176.92 3iwz h LYS 210 N 1.04 0.00 -0.01 1.90 3.64 -0.87 -2.08 116.57 120.19 3iwz h LYS 210 Ca 0.26 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.52 3iwz h LYS 210 Cb 0.04 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3iwz h LYS 210 CO -0.04 0.82 -0.60 -0.07 -2.27 0.00 0.00 179.45 177.28 3iwz h LEU 211 N 0.00 0.02 -0.01 5.20 3.38 -0.65 -2.49 115.31 120.76 3iwz h LEU 211 Ca -0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3iwz h LEU 211 Cb 1.48 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.23 3iwz h LEU 211 CO 0.11 0.62 -0.07 -0.61 0.09 0.00 0.00 178.44 178.58 3iwz h GLN 212 N 0.01 0.06 -0.20 1.13 4.15 -1.17 -2.41 115.11 116.68 3iwz h GLN 212 Ca -0.01 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.42 3iwz h GLN 212 Cb 1.07 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 3iwz h GLN 212 CO 0.08 0.75 0.24 0.00 -1.93 0.00 0.00 178.83 177.96 3iwz h ALA 213 N 0.32 1.81 -0.19 3.38 0.00 -1.34 0.89 119.26 124.13 3iwz h ALA 213 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iwz h ALA 213 Cb 0.76 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3iwz h ALA 213 CO 0.01 -0.34 0.00 -0.25 0.00 0.00 0.00 179.25 178.67 3iwz n ASP 214 N -3.74 1.49 -2.26 0.00 10.43 -0.94 -4.93 116.55 116.59 3iwz n ASP 214 Ca 0.02 -1.77 -0.09 0.00 2.57 0.00 0.00 54.79 55.53 3iwz n ASP 214 Cb 0.36 -0.12 0.05 0.00 1.84 0.00 0.00 41.12 43.24 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 1.05 0.02 0.00 0.44 0.00 0.31 -4.97 105.19 102.04 3iwz n GLY 215 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3iwz n GLY 215 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iwz n LEU 216 N -2.60 0.00 -3.88 0.99 4.77 -0.91 -5.04 117.00 110.32 3iwz n LEU 216 Ca -0.14 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.83 3iwz n LEU 216 Cb 0.59 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.69 3iwz n LEU 216 CO 0.31 0.00 0.92 -1.48 -1.33 0.00 0.00 177.39 175.81 3iwz s LEU 217 N -2.44 -0.01 -0.08 2.23 0.05 -1.24 -2.86 118.68 114.32 3iwz s LEU 217 Ca 0.00 -0.46 -0.01 0.00 0.05 0.00 0.00 54.13 53.70 3iwz s LEU 217 Cb 0.00 1.79 0.03 0.00 -2.05 0.00 0.00 46.19 45.96 3iwz s LEU 217 CO 0.00 -0.71 -0.00 -2.28 -0.55 0.00 0.00 176.35 172.81 3iwz s HIS 218 N -2.23 0.75 -1.24 3.48 5.65 -1.07 -4.25 115.29 116.39 3iwz s HIS 218 Ca 0.23 -0.25 -0.14 0.00 0.25 0.00 0.00 55.06 55.15 3iwz s HIS 218 Cb -0.01 -0.85 0.15 0.00 -1.18 0.00 0.00 32.58 30.69 3iwz s HIS 218 CO 0.02 -0.36 1.57 0.00 -0.65 0.00 0.00 174.74 175.33 3iwz n ALA 219 N 5.13 4.10 -2.62 1.58 0.00 -1.26 -2.35 120.51 125.09 3iwz n ALA 219 Ca -0.08 -4.19 -0.43 0.00 0.00 0.00 0.00 53.44 48.74 3iwz n ALA 219 Cb 0.50 -3.14 0.00 0.00 0.00 0.00 0.00 19.45 16.81 3iwz n ALA 219 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3iwz n ARG 220 N 5.80 3.29 0.00 0.00 0.00 -1.07 -4.92 116.66 119.76 3iwz n ARG 220 Ca 0.40 -3.48 0.00 0.00 -0.00 0.00 0.00 57.85 54.77 3iwz n ARG 220 Cb 0.42 -3.22 0.00 0.00 0.00 0.00 0.00 32.46 29.66 3iwz n ARG 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3iwz n GLY 221 N 4.41 2.76 0.22 5.14 0.00 -1.26 -2.91 105.19 113.55 3iwz n GLY 221 Ca 0.43 -0.31 0.14 0.00 0.00 0.00 0.00 46.02 46.29 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 12.56 0.98 -4.36 1.61 5.02 -1.26 -4.83 118.16 127.88 3iwz n LYS 222 Ca 0.00 -0.45 -0.25 0.00 -2.02 0.00 0.00 58.31 55.59 3iwz n LYS 222 Cb 0.00 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.43 3iwz n LYS 222 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3iwz s THR 223 N -2.33 2.43 -0.01 -0.18 -4.23 -1.15 -2.78 115.64 107.39 3iwz s THR 223 Ca 0.31 -1.95 0.02 0.00 -1.18 0.00 0.00 61.69 58.89 3iwz s THR 223 Cb 0.20 -2.85 -0.00 0.00 1.34 0.00 0.00 72.50 71.19 3iwz s THR 223 CO 0.45 -0.13 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.65 3iwz s VAL 224 N -2.57 0.41 -0.36 2.29 1.01 0.50 -2.60 120.40 119.09 3iwz s VAL 224 Ca 0.36 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 3iwz s VAL 224 Cb 0.02 -0.36 0.06 0.00 0.00 0.00 0.00 36.38 36.11 3iwz s VAL 224 CO 0.19 0.12 0.13 -0.69 0.00 0.00 0.00 175.10 174.86 3iwz s VAL 225 N -0.02 3.61 -0.20 2.92 1.01 -0.99 -0.79 120.40 125.94 3iwz s VAL 225 Ca 0.01 -1.40 -0.19 0.00 0.00 0.00 0.00 61.98 60.40 3iwz s VAL 225 Cb -0.03 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 3iwz s VAL 225 CO -0.00 -0.31 0.53 -0.22 0.00 0.00 0.00 175.10 175.09 3iwz s LEU 226 N 1.33 4.15 -0.18 3.92 2.96 -1.12 -2.60 118.68 127.14 3iwz s LEU 226 Ca 0.00 0.69 -0.24 0.00 -0.22 0.00 0.00 54.13 54.36 3iwz s LEU 226 Cb -0.21 -2.73 -0.02 0.00 0.50 0.00 0.00 46.19 43.74 3iwz s LEU 226 CO 0.01 -0.19 0.80 -0.31 -1.32 0.00 0.00 176.35 175.33 3iwz s TYR 227 N 1.68 3.40 0.00 5.38 4.12 -1.13 -2.17 117.35 128.63 3iwz s TYR 227 Ca 0.25 1.19 0.00 0.00 0.02 0.00 0.00 57.07 58.53 3iwz s TYR 227 Cb -0.15 -2.98 0.00 0.00 -1.52 0.00 0.00 41.96 37.30 3iwz s TYR 227 CO 0.10 -0.24 0.00 0.41 0.02 0.00 0.00 175.55 175.83