#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 4.47 0.43 1.45 -4.77 -1.26 -4.94 116.67 112.05 3iwz s ASP 23 Ca 0.00 0.51 0.29 0.00 -3.30 0.00 0.00 52.55 50.05 3iwz s ASP 23 Cb 0.00 -1.01 1.16 0.00 -1.09 0.00 0.00 42.92 41.98 3iwz s ASP 23 CO 0.00 -1.86 1.86 0.00 0.70 0.00 0.00 175.17 175.87 3iwz h ALA 24 N -0.89 1.00 0.14 2.11 0.00 -2.05 -2.14 119.26 117.44 3iwz h ALA 24 Ca -0.45 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.18 3iwz h ALA 24 Cb 1.31 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.13 3iwz h ALA 24 CO 0.59 0.00 -1.22 0.78 0.00 0.00 0.00 179.25 179.40 3iwz h GLY 25 N 2.31 0.65 1.23 0.00 0.00 -2.00 -2.16 103.07 103.10 3iwz h GLY 25 Ca 0.00 -1.41 -0.15 0.00 0.00 0.00 0.00 47.33 45.77 3iwz h GLY 25 CO 0.00 1.24 -0.37 -0.84 0.00 0.00 0.00 176.54 176.57 3iwz h THR 26 N 0.17 1.28 -0.24 4.70 2.02 -1.90 -2.81 112.91 116.12 3iwz h THR 26 Ca -0.19 -1.54 -0.01 0.00 0.77 0.00 0.00 66.41 65.43 3iwz h THR 26 Cb 1.91 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 69.70 3iwz h THR 26 CO 0.23 0.51 0.11 0.40 0.37 0.00 0.00 175.52 177.14 3iwz h ILE 27 N 0.70 1.15 -0.49 3.11 2.04 -1.43 -1.68 117.51 120.91 3iwz h ILE 27 Ca 0.06 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 3iwz h ILE 27 Cb 0.94 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 3iwz h ILE 27 CO 0.09 0.15 0.22 -0.33 0.00 0.00 0.00 178.15 178.28 3iwz h GLU 28 N 0.25 0.71 -0.56 2.37 4.39 -1.39 -0.70 114.58 119.65 3iwz h GLU 28 Ca 0.08 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 3iwz h GLU 28 Cb 0.14 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3iwz h GLU 28 CO -0.01 0.62 0.18 0.00 -1.16 0.00 0.00 179.01 178.64 3iwz h ARG 29 N 0.64 0.84 -0.72 2.33 3.08 -1.45 0.75 114.38 119.85 3iwz h ARG 29 Ca 0.17 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 3iwz h ARG 29 Cb 0.15 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3iwz h ARG 29 CO -0.02 0.72 0.24 0.35 -1.07 0.00 0.00 179.97 180.20 3iwz h PHE 30 N 0.82 1.14 0.00 3.04 3.57 -0.80 -2.62 116.94 122.08 3iwz h PHE 30 Ca 0.19 -0.10 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 3iwz h PHE 30 Cb 0.23 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3iwz h PHE 30 CO 0.01 0.89 -0.44 -0.07 -2.23 0.00 0.00 178.31 176.47 3iwz h LEU 31 N 1.07 0.00 -2.10 0.59 3.38 -0.32 -3.19 115.31 114.74 3iwz h LEU 31 Ca 0.24 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.27 3iwz h LEU 31 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3iwz h LEU 31 CO -0.01 0.44 0.33 0.00 0.09 0.00 0.00 178.44 179.28 3iwz h ALA 32 N 1.56 1.80 -0.26 1.53 0.00 -0.48 0.19 119.26 123.61 3iwz h ALA 32 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iwz h ALA 32 Cb 1.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3iwz h ALA 32 CO 0.06 -0.44 0.00 0.72 0.00 0.00 0.00 179.25 179.58 3iwz n HIS 33 N -3.54 0.33 -3.84 0.00 8.25 -1.21 -5.01 115.22 110.21 3iwz n HIS 33 Ca 0.03 -0.24 -0.20 0.00 -0.26 0.00 0.00 57.72 57.05 3iwz n HIS 33 Cb 0.45 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.20 6.18 -0.42 0.41 1.04 0.68 -4.92 113.70 115.47 3iwz s SER 34 Ca 0.26 -0.02 -0.08 0.00 0.48 0.00 0.00 55.95 56.59 3iwz s SER 34 Cb 0.16 -1.66 0.09 0.00 0.10 0.00 0.00 66.02 64.70 3iwz s SER 34 CO 0.22 -0.17 0.25 -2.28 0.98 0.00 0.00 173.24 172.24 3iwz s HIS 35 N -2.04 3.37 0.03 5.02 5.65 -0.68 -4.91 115.29 121.73 3iwz s HIS 35 Ca 0.37 -1.67 -0.30 0.00 0.25 0.00 0.00 55.06 53.70 3iwz s HIS 35 Cb -0.09 -3.01 -0.04 0.00 -1.18 0.00 0.00 32.58 28.26 3iwz s HIS 35 CO 0.29 -0.88 1.05 1.03 -0.65 0.00 0.00 174.74 175.59 3iwz s ARG 36 N 1.38 4.53 -0.01 2.88 0.52 -1.26 -2.03 118.95 124.95 3iwz s ARG 36 Ca 0.03 1.53 0.01 0.00 -0.52 0.00 0.00 55.73 56.78 3iwz s ARG 36 Cb -0.23 -3.42 0.01 0.00 0.52 0.00 0.00 34.95 31.83 3iwz s ARG 36 CO 0.01 -0.10 -0.01 0.50 0.02 0.00 0.00 175.30 175.72 3iwz s ARG 37 N 0.96 0.23 0.19 3.54 3.52 -0.46 -4.99 118.95 121.94 3iwz s ARG 37 Ca 0.54 -0.02 -0.25 0.00 -0.13 0.00 0.00 55.73 55.87 3iwz s ARG 37 Cb -0.24 -0.30 -0.08 0.00 -1.56 0.00 0.00 34.95 32.77 3iwz s ARG 37 CO 0.29 -0.02 0.79 1.03 -0.81 0.00 0.00 175.30 176.57 3iwz s ARG 38 N 0.36 4.54 -0.01 5.12 1.81 -1.26 -1.80 118.95 127.70 3iwz s ARG 38 Ca -0.03 1.14 0.05 0.00 -1.72 0.00 0.00 55.73 55.17 3iwz s ARG 38 Cb -0.06 -3.18 -0.01 0.00 -0.45 0.00 0.00 34.95 31.25 3iwz s ARG 38 CO -0.01 0.53 -0.17 0.71 -0.68 0.00 0.00 175.30 175.67 3iwz s TYR 39 N -1.24 1.56 0.87 -0.53 2.02 0.17 -4.99 117.35 115.21 3iwz s TYR 39 Ca 0.38 -0.30 -0.12 0.00 -0.37 0.00 0.00 57.07 56.66 3iwz s TYR 39 Cb -0.22 -1.00 0.11 0.00 -0.40 0.00 0.00 41.96 40.46 3iwz s TYR 39 CO 0.26 -0.02 1.11 -2.14 -1.57 0.00 0.00 175.55 173.19 3iwz s PRO 40 N -0.47 1.47 0.96 -1.71 0.02 -1.26 -1.03 135.00 132.99 3iwz s PRO 40 Ca 0.07 0.55 -0.12 0.00 0.02 0.00 0.00 61.00 61.51 3iwz s PRO 40 Cb -0.07 -1.86 0.17 0.00 0.02 0.00 0.00 34.50 32.76 3iwz s PRO 40 CO -0.00 -2.02 1.11 -0.08 -0.33 0.00 0.00 177.00 175.67 3iwz s THR 41 N -3.14 2.13 -1.05 0.99 -1.32 -1.25 -3.70 115.64 108.31 3iwz s THR 41 Ca 0.63 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 61.15 3iwz s THR 41 Cb -0.16 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.22 3iwz s THR 41 CO 0.55 -0.06 0.00 0.54 -2.21 0.00 0.00 174.62 173.44 3iwz n ARG 42 N -4.02 -1.90 -3.65 7.08 1.74 -0.86 -4.93 116.66 110.12 3iwz n ARG 42 Ca 0.06 0.59 -0.38 0.00 -0.77 0.00 0.00 57.85 57.35 3iwz n ARG 42 Cb 0.58 -5.04 -0.12 0.00 -1.02 0.00 0.00 32.46 26.86 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 -2.33 4.93 -0.72 0.55 2.01 -1.24 -4.89 115.64 113.94 3iwz s THR 43 Ca 0.00 0.01 -0.27 0.00 0.31 0.00 0.00 61.69 61.74 3iwz s THR 43 Cb 0.00 -3.35 0.02 0.00 0.01 0.00 0.00 72.50 69.18 3iwz s THR 43 CO 0.00 0.26 1.35 -1.81 -0.69 0.00 0.00 174.62 173.74 3iwz s ASP 44 N 1.70 6.05 0.46 3.53 1.11 -1.26 -1.73 116.67 126.53 3iwz s ASP 44 Ca 0.07 -0.33 0.17 0.00 0.18 0.00 0.00 52.55 52.64 3iwz s ASP 44 Cb -0.16 -2.56 1.13 0.00 1.07 0.00 0.00 42.92 42.41 3iwz s ASP 44 CO 0.08 -1.90 1.99 0.58 1.18 0.00 0.00 175.17 177.10 3iwz h VAL 45 N 6.15 0.85 -1.71 -1.27 2.07 0.24 -3.44 116.25 119.14 3iwz h VAL 45 Ca -0.28 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.18 3iwz h VAL 45 Cb 1.07 0.54 -0.23 0.00 -1.52 0.00 0.00 31.29 31.14 3iwz h VAL 45 CO 1.27 0.05 0.39 0.72 0.02 0.00 0.00 177.57 180.03 3iwz s PHE 46 N -5.28 -0.52 0.30 1.57 -0.12 -1.22 -4.99 117.98 107.72 3iwz s PHE 46 Ca -0.07 1.09 0.11 0.00 -0.05 0.00 0.00 56.93 58.00 3iwz s PHE 46 Cb 0.20 0.39 -0.05 0.00 -0.63 0.00 0.00 43.02 42.92 3iwz s PHE 46 CO 0.74 -0.35 -0.14 1.03 -0.05 0.00 0.00 175.22 176.45 3iwz s ARG 47 N -0.44 1.80 0.16 1.99 0.52 -1.26 -1.53 118.95 120.19 3iwz s ARG 47 Ca -0.01 -1.78 -0.34 0.00 -0.52 0.00 0.00 55.73 53.08 3iwz s ARG 47 Cb -0.03 -1.80 -0.15 0.00 0.52 0.00 0.00 34.95 33.50 3iwz s ARG 47 CO 0.00 0.27 1.44 -2.30 0.02 0.00 0.00 175.30 174.73 3iwz n PRO 48 N -0.72 1.78 0.00 3.54 -0.02 -1.22 -1.98 135.00 136.38 3iwz n PRO 48 Ca -0.05 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3iwz n PRO 48 Cb 0.61 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 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 2.77 1.24 3.72 -1.23 0.00 -1.06 -4.93 105.19 105.71 3iwz n GLY 49 Ca 0.16 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.46 3.92 0.66 1.61 1.01 -0.84 -4.60 116.67 117.98 3iwz s ASP 50 Ca 0.00 2.12 -0.18 0.00 0.71 0.00 0.00 52.55 55.20 3iwz s ASP 50 Cb 0.00 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 3iwz s ASP 50 CO 0.00 -2.44 1.22 -2.65 0.21 0.00 0.00 175.17 171.52 3iwz n PRO 51 N -3.44 0.99 -3.74 8.23 -0.02 -1.26 -1.90 135.00 133.86 3iwz n PRO 51 Ca 0.11 0.40 -0.28 0.00 -2.02 0.00 0.00 63.50 61.71 3iwz n PRO 51 Cb 0.52 -2.46 -0.12 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 -1.47 2.86 -0.02 3.55 0.00 -0.96 -4.62 121.76 121.09 3iwz s ALA 52 Ca 0.81 -3.21 0.04 0.00 0.00 0.00 0.00 51.96 49.60 3iwz s ALA 52 Cb -0.38 -1.97 0.05 0.00 0.00 0.00 0.00 23.12 20.82 3iwz s ALA 52 CO 0.42 -2.05 0.87 0.41 0.00 0.00 0.00 175.76 175.40 3iwz n GLY 53 N 2.59 0.80 3.12 0.00 0.00 -1.26 -4.83 105.19 105.61 3iwz n GLY 53 Ca 0.19 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 3iwz n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iwz s THR 54 N -0.78 1.05 0.05 2.61 2.01 -1.26 -1.16 115.64 118.15 3iwz s THR 54 Ca 0.06 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.24 3iwz s THR 54 Cb 0.05 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 3iwz s THR 54 CO 0.01 0.07 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.72 3iwz s LEU 55 N -0.91 3.20 0.04 4.42 0.20 -0.08 -4.72 118.68 120.83 3iwz s LEU 55 Ca 0.02 -0.22 0.08 0.00 0.69 0.00 0.00 54.13 54.71 3iwz s LEU 55 Cb -0.07 -1.90 -0.03 0.00 -0.43 0.00 0.00 46.19 43.76 3iwz s LEU 55 CO 0.01 0.23 -0.24 -0.31 -0.29 0.00 0.00 176.35 175.75 3iwz s TYR 56 N -1.12 2.12 -0.15 5.38 2.02 0.07 -2.08 117.35 123.60 3iwz s TYR 56 Ca 0.20 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 3iwz s TYR 56 Cb -0.11 -1.27 0.03 0.00 -0.40 0.00 0.00 41.96 40.20 3iwz s TYR 56 CO 0.11 0.10 -0.12 -0.47 -1.57 0.00 0.00 175.55 173.61 3iwz s TYR 57 N -0.79 2.10 -0.48 2.71 5.04 -0.24 -0.16 117.35 125.53 3iwz s TYR 57 Ca 0.10 -1.21 -0.28 0.00 -2.44 0.00 0.00 57.07 53.24 3iwz s TYR 57 Cb -0.09 -1.54 0.01 0.00 0.35 0.00 0.00 41.96 40.68 3iwz s TYR 57 CO 0.02 -0.66 1.47 0.08 -1.34 0.00 0.00 175.55 175.12 3iwz s VAL 58 N 1.51 3.78 -0.03 3.14 1.01 0.48 -1.17 120.40 129.12 3iwz s VAL 58 Ca 0.04 0.74 -0.18 0.00 0.00 0.00 0.00 61.98 62.58 3iwz s VAL 58 Cb -0.13 -4.24 -0.32 0.00 0.00 0.00 0.00 36.38 31.69 3iwz s VAL 58 CO -0.10 -0.91 0.85 0.40 0.00 0.00 0.00 175.10 175.35 3iwz h ILE 59 N 6.49 1.29 -2.60 2.22 2.04 -1.29 -0.14 117.51 125.53 3iwz h ILE 59 Ca -0.28 -2.57 -0.08 0.00 1.00 0.00 0.00 64.86 62.93 3iwz h ILE 59 Cb 1.11 3.03 -0.19 0.00 -0.74 0.00 0.00 36.82 40.03 3iwz h ILE 59 CO 1.13 0.76 -0.04 -0.94 0.00 0.00 0.00 178.15 179.06 3iwz s SER 60 N -7.23 -0.41 0.00 1.72 1.04 -0.92 -4.66 113.70 103.23 3iwz s SER 60 Ca -0.13 0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.63 3iwz s SER 60 Cb 0.03 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3iwz s SER 60 CO 0.86 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 175.12 3iwz n GLY 61 N 0.94 0.73 3.01 7.32 0.00 -1.26 -0.69 105.19 115.24 3iwz n GLY 61 Ca -0.20 -2.19 -0.22 0.00 0.00 0.00 0.00 46.02 43.41 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 0.00 1.46 0.32 1.61 0.15 -1.26 -3.94 113.70 112.04 3iwz s SER 62 Ca 0.00 -0.23 0.05 0.00 0.70 0.00 0.00 55.95 56.46 3iwz s SER 62 Cb 0.00 -0.53 -0.06 0.00 -1.71 0.00 0.00 66.02 63.72 3iwz s SER 62 CO 0.00 0.05 0.03 0.68 1.20 0.00 0.00 173.24 175.20 3iwz s VAL 63 N 0.41 1.35 0.04 4.45 -7.23 -0.88 0.11 120.40 118.66 3iwz s VAL 63 Ca -0.08 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.09 3iwz s VAL 63 Cb -0.12 -2.72 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 3iwz s VAL 63 CO 0.02 -0.08 -0.09 -0.94 -0.31 0.00 0.00 175.10 173.69 3iwz s SER 64 N -3.49 1.05 -0.23 4.85 1.04 0.24 -1.59 113.70 115.57 3iwz s SER 64 Ca 0.34 -0.50 -0.05 0.00 0.48 0.00 0.00 55.95 56.22 3iwz s SER 64 Cb 0.08 -0.00 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 3iwz s SER 64 CO 0.15 -0.13 0.01 -0.63 0.98 0.00 0.00 173.24 173.61 3iwz s ILE 65 N -1.17 3.80 0.02 -1.02 -1.09 -0.77 -0.93 121.20 120.03 3iwz s ILE 65 Ca -0.06 -0.35 0.08 0.00 -2.23 0.00 0.00 60.65 58.09 3iwz s ILE 65 Cb -0.09 -2.75 -0.02 0.00 -1.58 0.00 0.00 42.46 38.02 3iwz s ILE 65 CO 0.01 0.39 -0.23 -0.63 -1.23 0.00 0.00 174.94 173.24 3iwz s ILE 66 N 1.49 1.87 -0.00 2.92 1.01 0.11 -0.51 121.20 128.09 3iwz s ILE 66 Ca 0.06 -1.17 0.02 0.00 0.00 0.00 0.00 60.65 59.56 3iwz s ILE 66 Cb -0.15 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 3iwz s ILE 66 CO -0.00 0.38 -0.04 0.00 0.00 0.00 0.00 174.94 175.28 3iwz s ALA 67 N -0.69 3.13 0.21 9.38 0.00 -0.79 0.89 121.76 133.89 3iwz s ALA 67 Ca 0.09 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.15 3iwz s ALA 67 Cb -0.09 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 3iwz s ALA 67 CO 0.01 0.63 0.01 -1.21 0.00 0.00 0.00 175.76 175.20 3iwz s GLU 68 N -1.46 2.40 0.00 0.00 2.02 -1.26 -1.81 118.70 118.58 3iwz s GLU 68 Ca 0.18 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 53.96 3iwz s GLU 68 Cb -0.11 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.81 3iwz s GLU 68 CO 0.08 0.42 0.00 0.39 0.02 0.00 0.00 175.26 176.18 3iwz n GLU 69 N -0.44 3.95 -0.11 1.61 -0.58 -0.94 -4.98 120.64 119.14 3iwz n GLU 69 Ca -0.09 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.43 3iwz n GLU 69 Cb 0.57 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.32 3iwz n GLU 69 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3iwz n ASP 70 N 0.00 1.87 0.00 1.62 4.64 -1.26 -3.98 116.55 119.44 3iwz n ASP 70 Ca 0.00 0.41 0.00 0.00 -1.38 0.00 0.00 54.79 53.82 3iwz n ASP 70 Cb 0.00 -0.94 0.00 0.00 -1.04 0.00 0.00 41.12 39.14 3iwz n ASP 70 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 3iwz n ASP 71 N -4.41 0.00 -2.69 1.67 3.85 -1.26 -4.69 116.55 109.02 3iwz n ASP 71 Ca -0.35 0.00 -0.02 0.00 -0.71 0.00 0.00 54.79 53.71 3iwz n ASP 71 Cb 0.70 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.48 3iwz n ASP 71 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 3iwz n ASP 72 N -0.53 -6.19 -4.22 -1.12 2.03 -1.26 -5.06 116.55 100.20 3iwz n ASP 72 Ca 0.00 -0.13 -0.18 0.00 0.52 0.00 0.00 54.79 54.99 3iwz n ASP 72 Cb 0.00 -4.19 -0.11 0.00 -0.72 0.00 0.00 41.12 36.10 3iwz n ASP 72 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3iwz s ARG 73 N -3.18 0.95 0.07 -0.67 1.81 -1.26 -4.98 118.95 111.70 3iwz s ARG 73 Ca 0.06 -1.14 0.08 0.00 -1.72 0.00 0.00 55.73 53.01 3iwz s ARG 73 Cb -0.01 -0.89 -0.03 0.00 -0.45 0.00 0.00 34.95 33.57 3iwz s ARG 73 CO 0.56 0.18 -0.21 -1.21 -0.68 0.00 0.00 175.30 173.94 3iwz s GLU 74 N -2.34 1.30 -0.19 3.54 2.02 -1.26 -2.23 118.70 119.55 3iwz s GLU 74 Ca 0.05 -1.05 -0.02 0.00 0.02 0.00 0.00 54.97 53.97 3iwz s GLU 74 Cb -0.07 -1.50 0.06 0.00 0.10 0.00 0.00 34.13 32.72 3iwz s GLU 74 CO 0.03 0.37 0.02 -1.17 0.02 0.00 0.00 175.26 174.52 3iwz s LEU 75 N -1.50 1.32 0.07 1.80 2.96 -0.75 -4.53 118.68 118.06 3iwz s LEU 75 Ca 0.07 -0.78 -0.31 0.00 -0.22 0.00 0.00 54.13 52.89 3iwz s LEU 75 Cb -0.09 -0.67 -0.07 0.00 0.50 0.00 0.00 46.19 45.85 3iwz s LEU 75 CO 0.03 -0.28 1.46 -0.69 -1.32 0.00 0.00 176.35 175.55 3iwz s VAL 76 N 1.80 3.33 -0.69 1.68 1.01 0.38 -1.88 120.40 126.03 3iwz s VAL 76 Ca -0.01 0.86 0.22 0.00 0.00 0.00 0.00 61.98 63.05 3iwz s VAL 76 Cb -0.17 -3.55 -0.23 0.00 0.00 0.00 0.00 36.38 32.43 3iwz s VAL 76 CO -0.07 0.03 0.83 0.18 0.00 0.00 0.00 175.10 176.06 3iwz n LEU 77 N 4.75 0.67 0.00 3.92 4.77 0.33 -4.77 117.00 126.68 3iwz n LEU 77 Ca 0.13 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3iwz n LEU 77 Cb 0.42 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3iwz n LEU 77 CO 0.60 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3iwz n GLY 78 N 1.42 2.60 3.60 -0.72 0.00 -1.23 -4.81 105.19 106.05 3iwz n GLY 78 Ca 0.02 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 2.76 -0.06 1.61 2.02 -1.26 -1.85 117.35 118.57 3iwz s TYR 79 Ca 0.00 -0.15 -0.05 0.00 -0.37 0.00 0.00 57.07 56.49 3iwz s TYR 79 Cb 0.00 -1.41 0.02 0.00 -0.40 0.00 0.00 41.96 40.17 3iwz s TYR 79 CO 0.00 0.46 0.15 -0.06 -1.57 0.00 0.00 175.55 174.53 3iwz s PHE 80 N -1.39 -0.17 0.00 2.71 0.08 -0.62 -4.99 117.98 113.59 3iwz s PHE 80 Ca 0.23 0.41 0.00 0.00 0.12 0.00 0.00 56.93 57.69 3iwz s PHE 80 Cb -0.10 0.06 0.00 0.00 -0.57 0.00 0.00 43.02 42.40 3iwz s PHE 80 CO 0.15 -0.08 0.00 0.41 -0.10 0.00 0.00 175.22 175.60 3iwz n GLY 81 N 3.01 5.90 3.54 4.36 0.00 -1.26 -2.07 105.19 118.67 3iwz n GLY 81 Ca -0.13 -2.04 -0.48 0.00 0.00 0.00 0.00 46.02 43.38 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 -0.11 0.75 0.00 1.61 7.64 -1.25 -2.07 113.62 120.17 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 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.02 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 1.69 1.49 3.77 0.23 0.00 -0.06 -5.02 105.19 107.28 3iwz n GLY 83 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.63 4.63 -0.21 1.61 0.41 -0.88 -4.84 118.70 118.79 3iwz s GLU 84 Ca 0.00 1.23 -0.14 0.00 -0.41 0.00 0.00 54.97 55.65 3iwz s GLU 84 Cb 0.00 -3.27 -0.04 0.00 -1.78 0.00 0.00 34.13 29.03 3iwz s GLU 84 CO 0.00 0.54 0.30 -0.06 -0.49 0.00 0.00 175.26 175.56 3iwz s PHE 85 N -1.09 3.36 0.17 1.61 0.08 -1.26 -0.39 117.98 120.47 3iwz s PHE 85 Ca 0.37 0.48 0.06 0.00 0.12 0.00 0.00 56.93 57.96 3iwz s PHE 85 Cb -0.24 -2.42 -0.04 0.00 -0.57 0.00 0.00 43.02 39.75 3iwz s PHE 85 CO 0.27 0.05 -0.13 0.14 -0.10 0.00 0.00 175.22 175.45 3iwz s VAL 86 N 1.13 1.48 -1.21 -0.44 -7.23 0.77 -4.74 120.40 110.16 3iwz s VAL 86 Ca 0.15 -2.07 -0.00 0.00 -1.81 0.00 0.00 61.98 58.24 3iwz s VAL 86 Cb -0.14 -1.89 0.00 0.00 0.56 0.00 0.00 36.38 34.91 3iwz s VAL 86 CO 0.06 -0.61 0.06 0.61 -0.31 0.00 0.00 175.10 174.91 3iwz n GLY 87 N -0.15 -0.21 0.01 2.32 0.00 -1.26 -0.75 105.19 105.16 3iwz n GLY 87 Ca -0.10 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.47 0.06 -0.12 1.61 0.00 -1.26 -4.37 120.64 114.09 3iwz n GLU 88 Ca -0.16 0.02 -0.05 0.00 0.00 0.00 0.00 57.16 56.97 3iwz n GLU 88 Cb 0.62 -1.54 0.01 0.00 0.00 0.00 0.00 31.44 30.53 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 0.00 -0.10 0.00 3.44 4.05 -1.94 -0.39 114.93 119.99 3iwz h MET 89 Ca 0.00 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 3iwz h MET 89 Cb 0.55 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 3iwz h MET 89 CO 0.00 -0.07 0.17 0.78 0.23 0.00 0.00 176.91 178.02 3iwz h GLY 90 N -0.10 0.00 1.97 1.39 0.00 -1.77 0.24 103.07 104.79 3iwz h GLY 90 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3iwz h GLY 90 CO -0.48 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 175.96 3iwz n LEU 91 N -2.79 0.00 0.00 3.11 7.94 -0.15 -3.97 117.00 121.14 3iwz n LEU 91 Ca -0.02 0.48 0.00 0.00 -1.11 0.00 0.00 56.01 55.36 3iwz n LEU 91 Cb 0.22 -0.48 0.00 0.00 0.53 0.00 0.00 43.42 43.69 3iwz n LEU 91 CO 0.14 -0.09 -0.39 0.49 -1.11 0.00 0.00 177.39 176.43 3iwz n PHE 92 N -1.48 0.00 -3.93 1.96 3.72 0.60 -4.93 117.46 113.40 3iwz n PHE 92 Ca 0.06 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.16 3iwz n PHE 92 Cb 0.27 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.67 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 -1.78 2.53 -0.48 4.37 1.01 0.18 -5.06 121.20 121.97 3iwz s ILE 93 Ca 0.00 -3.33 -0.44 0.00 0.00 0.00 0.00 60.65 56.88 3iwz s ILE 93 Cb 0.00 -2.75 -0.19 0.00 0.01 0.00 0.00 42.46 39.53 3iwz s ILE 93 CO 0.00 -0.82 1.81 -0.62 0.00 0.00 0.00 174.94 175.31 3iwz n GLU 94 N 3.07 0.00 -3.83 2.79 1.02 -1.26 -4.38 120.64 118.05 3iwz n GLU 94 Ca 0.06 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.09 3iwz n GLU 94 Cb 0.32 -1.44 -0.08 0.00 -0.02 0.00 0.00 31.44 30.22 3iwz n GLU 94 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3iwz s SER 95 N 4.37 -0.00 0.12 1.62 0.15 -1.26 -5.04 113.70 113.66 3iwz s SER 95 Ca 1.08 -0.30 0.23 0.00 0.70 0.00 0.00 55.95 57.66 3iwz s SER 95 Cb -1.44 0.29 0.04 0.00 -1.71 0.00 0.00 66.02 63.20 3iwz s SER 95 CO 0.71 -0.54 1.03 0.47 1.20 0.00 0.00 173.24 176.11 3iwz n ASP 96 N 0.79 0.68 -4.32 5.45 10.43 -1.26 -4.64 116.55 123.68 3iwz n ASP 96 Ca -0.19 0.12 -0.17 0.00 2.57 0.00 0.00 54.79 57.12 3iwz n ASP 96 Cb 0.58 0.64 -0.10 0.00 1.84 0.00 0.00 41.12 44.08 3iwz n ASP 96 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3iwz s THR 97 N -3.30 0.91 0.55 -3.53 -4.23 -1.26 -2.27 115.64 102.52 3iwz s THR 97 Ca 0.01 -2.02 -0.12 0.00 -1.18 0.00 0.00 61.69 58.38 3iwz s THR 97 Cb 0.12 -2.36 -0.06 0.00 1.34 0.00 0.00 72.50 71.54 3iwz s THR 97 CO 0.79 -0.29 0.97 -0.13 -0.54 0.00 0.00 174.62 175.42 3iwz s ARG 98 N -3.90 3.73 0.00 3.99 1.81 -0.80 -4.72 118.95 119.07 3iwz s ARG 98 Ca 0.29 0.74 0.03 0.00 -1.72 0.00 0.00 55.73 55.07 3iwz s ARG 98 Cb 0.06 -2.16 -0.02 0.00 -0.45 0.00 0.00 34.95 32.38 3iwz s ARG 98 CO 0.09 -0.38 0.23 -1.91 -0.68 0.00 0.00 175.30 172.65 3iwz n GLU 99 N -2.16 4.55 -4.21 3.54 4.07 -1.26 -2.55 120.64 122.62 3iwz n GLU 99 Ca 0.05 -0.16 -0.14 0.00 -0.06 0.00 0.00 57.16 56.85 3iwz n GLU 99 Cb 0.54 -0.74 -0.09 0.00 -0.06 0.00 0.00 31.44 31.10 3iwz n GLU 99 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 3iwz s VAL 100 N -1.06 0.00 -0.14 6.31 -7.23 -1.26 -4.72 120.40 112.30 3iwz s VAL 100 Ca 0.02 -1.95 -0.10 0.00 -1.81 0.00 0.00 61.98 58.13 3iwz s VAL 100 Cb 0.02 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 3iwz s VAL 100 CO 0.10 0.00 0.21 -0.63 -0.31 0.00 0.00 175.10 174.47 3iwz s ILE 101 N -3.89 5.37 -0.33 -0.62 1.01 0.26 -3.44 121.20 119.56 3iwz s ILE 101 Ca 0.38 0.36 -0.03 0.00 0.00 0.00 0.00 60.65 61.36 3iwz s ILE 101 Cb 0.05 -3.51 0.05 0.00 0.01 0.00 0.00 42.46 39.06 3iwz s ILE 101 CO 0.17 0.51 0.06 -0.22 0.00 0.00 0.00 174.94 175.45 3iwz s LEU 102 N -0.26 4.20 -0.12 2.97 2.96 -0.59 0.05 118.68 127.91 3iwz s LEU 102 Ca 0.14 -1.32 0.02 0.00 -0.22 0.00 0.00 54.13 52.75 3iwz s LEU 102 Cb -0.12 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.80 3iwz s LEU 102 CO 0.03 -0.32 -0.19 -0.60 -1.32 0.00 0.00 176.35 173.96 3iwz s ARG 103 N 1.29 2.60 0.28 1.98 3.52 -0.11 0.98 118.95 129.49 3iwz s ARG 103 Ca -0.02 -0.70 -0.29 0.00 -0.13 0.00 0.00 55.73 54.58 3iwz s ARG 103 Cb -0.20 -2.12 -0.10 0.00 -1.56 0.00 0.00 34.95 30.97 3iwz s ARG 103 CO -0.00 -0.01 1.29 0.95 -0.81 0.00 0.00 175.30 176.72 3iwz s THR 104 N 0.83 2.94 -0.28 4.11 -4.23 -0.71 0.81 115.64 119.11 3iwz s THR 104 Ca -0.09 0.88 0.20 0.00 -1.18 0.00 0.00 61.69 61.51 3iwz s THR 104 Cb -0.16 -3.56 -0.29 0.00 1.34 0.00 0.00 72.50 69.83 3iwz s THR 104 CO -0.00 0.18 0.56 0.54 -0.54 0.00 0.00 174.62 175.36 3iwz n ARG 105 N 1.47 0.57 -3.26 3.99 1.74 0.29 -2.03 116.66 119.44 3iwz n ARG 105 Ca 0.02 -0.14 -0.11 0.00 -0.77 0.00 0.00 57.85 56.86 3iwz n ARG 105 Cb 0.42 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 3iwz n ARG 105 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3iwz n THR 106 N -2.01 0.00 -2.27 0.55 -2.24 -1.13 -4.63 114.28 102.55 3iwz n THR 106 Ca -0.02 -1.34 -0.41 0.00 -2.27 0.00 0.00 64.05 60.02 3iwz n THR 106 Cb 0.47 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 69.40 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 -2.68 4.46 0.08 -0.78 0.74 -1.26 -3.84 119.66 116.38 3iwz s GLN 107 Ca 0.22 2.03 0.02 0.00 0.05 0.00 0.00 55.36 57.68 3iwz s GLN 107 Cb 0.00 -3.15 -0.04 0.00 1.10 0.00 0.00 33.01 30.93 3iwz s GLN 107 CO 0.16 -0.08 -0.08 0.00 -0.55 0.00 0.00 175.29 174.74 3iwz s GLU 109 N -2.97 2.90 -0.07 0.00 2.12 0.13 0.42 118.70 121.23 3iwz s GLU 109 Ca 0.04 -0.92 0.04 0.00 0.36 0.00 0.00 54.97 54.49 3iwz s GLU 109 Cb -0.01 -2.81 0.00 0.00 0.26 0.00 0.00 34.13 31.57 3iwz s GLU 109 CO -0.02 -0.32 -0.19 -0.51 -0.54 0.00 0.00 175.26 173.68 3iwz s LEU 110 N 1.30 1.91 -0.27 2.70 1.43 -0.75 -0.78 118.68 124.23 3iwz s LEU 110 Ca 0.02 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 3iwz s LEU 110 Cb -0.15 -1.10 -0.05 0.00 0.03 0.00 0.00 46.19 44.92 3iwz s LEU 110 CO -0.08 0.13 0.18 0.00 0.23 0.00 0.00 176.35 176.81 3iwz s ALA 111 N 0.26 3.54 0.12 4.21 0.00 -0.32 -1.35 121.76 128.22 3iwz s ALA 111 Ca -0.11 -1.04 0.07 0.00 0.00 0.00 0.00 51.96 50.88 3iwz s ALA 111 Cb -0.15 -2.42 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 3iwz s ALA 111 CO 0.05 -0.45 -0.05 -1.83 0.00 0.00 0.00 175.76 173.48 3iwz s GLU 112 N 1.56 2.30 -0.17 0.00 -1.05 -0.86 -1.08 118.70 119.40 3iwz s GLU 112 Ca 0.07 -1.01 -0.12 0.00 -0.15 0.00 0.00 54.97 53.76 3iwz s GLU 112 Cb -0.15 -2.37 0.05 0.00 -0.44 0.00 0.00 34.13 31.22 3iwz s GLU 112 CO 0.09 0.50 0.43 -1.50 0.95 0.00 0.00 175.26 175.73 3iwz s ILE 113 N -1.40 -0.01 0.52 1.83 2.07 -0.88 -1.68 121.20 121.64 3iwz s ILE 113 Ca 0.24 0.05 -0.22 0.00 -1.41 0.00 0.00 60.65 59.31 3iwz s ILE 113 Cb -0.11 -0.62 -0.06 0.00 0.13 0.00 0.00 42.46 41.80 3iwz s ILE 113 CO 0.16 0.02 1.23 -0.94 -1.91 0.00 0.00 174.94 173.50 3iwz s SER 114 N 0.86 5.67 0.09 4.50 1.04 -1.26 -0.90 113.70 123.70 3iwz s SER 114 Ca -0.05 2.46 -0.25 0.00 0.48 0.00 0.00 55.95 58.59 3iwz s SER 114 Cb -0.06 -2.61 -0.14 0.00 0.10 0.00 0.00 66.02 63.31 3iwz s SER 114 CO -0.07 -1.27 1.71 1.88 0.98 0.00 0.00 173.24 176.47 3iwz h TYR 115 N 1.60 -0.21 -0.75 5.02 0.05 -1.48 -2.03 116.97 119.16 3iwz h TYR 115 Ca -0.50 -0.00 0.16 0.00 0.05 0.00 0.00 58.73 58.44 3iwz h TYR 115 Cb 1.27 0.08 -0.11 0.00 1.01 0.00 0.00 36.73 38.98 3iwz h TYR 115 CO 0.50 -0.13 0.19 1.49 -1.05 0.00 0.00 178.16 179.16 3iwz h GLU 116 N -0.21 0.27 0.00 4.88 4.81 -1.92 0.37 114.58 122.78 3iwz h GLU 116 Ca -0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3iwz h GLU 116 Cb 0.18 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3iwz h GLU 116 CO 0.01 0.18 0.00 0.54 -0.73 0.00 0.00 179.01 179.01 3iwz n ARG 117 N -5.15 0.11 -0.05 1.92 5.12 -1.11 -2.47 116.66 115.03 3iwz n ARG 117 Ca 0.15 0.16 -0.06 0.00 -1.93 0.00 0.00 57.85 56.17 3iwz n ARG 117 Cb 0.47 -1.65 -0.06 0.00 -1.16 0.00 0.00 32.46 30.07 3iwz n ARG 117 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3iwz h LEU 118 N 0.00 -0.02 -1.74 0.55 5.85 0.46 -2.70 115.31 117.71 3iwz h LEU 118 Ca 0.00 -0.43 -0.04 0.00 0.84 0.00 0.00 57.88 58.26 3iwz h LEU 118 Cb 0.52 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3iwz h LEU 118 CO 0.00 0.69 -0.17 1.56 -0.34 0.00 0.00 178.44 180.18 3iwz h GLN 119 N -0.99 0.00 -0.22 1.25 4.20 -1.47 0.83 115.11 118.70 3iwz h GLN 119 Ca -0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 3iwz h GLN 119 Cb 0.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 3iwz h GLN 119 CO 0.00 0.17 -0.37 1.96 -0.67 0.00 0.00 178.83 179.92 3iwz h GLN 120 N 0.00 0.50 0.00 1.46 4.20 -1.59 -1.47 115.11 118.21 3iwz h GLN 120 Ca -0.00 -0.24 -0.17 0.00 0.06 0.00 0.00 58.65 58.30 3iwz h GLN 120 Cb 0.38 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 3iwz h GLN 120 CO 0.02 0.80 -0.80 -0.07 -0.67 0.00 0.00 178.83 178.12 3iwz h LEU 121 N 0.42 0.00 -1.34 1.46 3.38 -0.44 -2.84 115.31 115.95 3iwz h LEU 121 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3iwz h LEU 121 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3iwz h LEU 121 CO 0.07 0.80 0.00 -0.26 0.09 0.00 0.00 178.44 179.14 3iwz h PHE 122 N 0.00 0.00 -0.12 1.13 0.05 0.13 0.22 116.94 118.34 3iwz h PHE 122 Ca -0.01 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.78 3iwz h PHE 122 Cb 1.43 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.38 3iwz h PHE 122 CO 0.00 0.00 0.00 1.04 -0.18 0.00 0.00 178.31 179.17 3iwz n GLN 123 N -2.69 1.75 0.00 1.51 1.13 -0.63 -3.25 117.38 115.21 3iwz n GLN 123 Ca 0.01 -1.73 0.00 0.00 -1.94 0.00 0.00 57.00 53.33 3iwz n GLN 123 Cb 0.23 -1.36 0.00 0.00 0.11 0.00 0.00 30.24 29.21 3iwz n GLN 123 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3iwz n THR 124 N 1.04 0.00 0.31 5.09 -2.24 -0.66 -4.86 114.28 112.96 3iwz n THR 124 Ca 0.12 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.93 3iwz n THR 124 Cb 0.47 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.85 3iwz n THR 124 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3iwz n SER 125 N 0.00 0.00 -0.20 3.42 3.41 -1.24 -2.10 113.62 116.92 3iwz n SER 125 Ca 0.00 0.05 0.03 0.00 -0.26 0.00 0.00 58.87 58.69 3iwz n SER 125 Cb 0.00 -0.17 0.01 0.00 -0.26 0.00 0.00 64.21 63.79 3iwz n SER 125 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3iwz n LEU 126 N -1.17 1.19 -0.30 1.04 4.32 -0.02 -4.72 117.00 117.34 3iwz n LEU 126 Ca 0.03 -0.85 0.14 0.00 -0.02 0.00 0.00 56.01 55.32 3iwz n LEU 126 Cb 0.03 0.00 0.31 0.00 -1.62 0.00 0.00 43.42 42.15 3iwz n LEU 126 CO 0.04 0.25 0.99 -1.28 -1.22 0.00 0.00 177.39 176.17 3iwz h SER 127 N 0.96 0.15 0.81 -1.43 0.87 -1.35 0.35 113.55 113.92 3iwz h SER 127 Ca 0.00 0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 3iwz h SER 127 Cb 0.25 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 3iwz h SER 127 CO 0.00 -0.11 -0.09 -0.65 -0.53 0.00 0.00 176.83 175.45 3iwz h PRO 128 N 0.27 0.00 0.00 2.24 0.11 -1.84 -2.66 132.00 130.12 3iwz h PRO 128 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 3iwz h PRO 128 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3iwz h PRO 128 CO -0.61 0.09 -0.92 -0.25 -0.21 0.00 0.00 178.00 176.09 3iwz n ASP 129 N -3.27 0.79 -0.17 -2.05 10.43 0.11 -4.37 116.55 118.02 3iwz n ASP 129 Ca -0.00 0.23 -0.04 0.00 2.57 0.00 0.00 54.79 57.54 3iwz n ASP 129 Cb 0.32 0.42 0.02 0.00 1.84 0.00 0.00 41.12 43.72 3iwz n ASP 129 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3iwz h ALA 130 N 2.17 0.07 -0.31 2.24 0.00 -0.81 0.03 119.26 122.65 3iwz h ALA 130 Ca 0.00 0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.15 3iwz h ALA 130 Cb 0.91 0.63 -0.07 0.00 0.00 0.00 0.00 17.79 19.27 3iwz h ALA 130 CO 0.00 -0.60 -0.14 -1.35 0.00 0.00 0.00 179.25 177.16 3iwz h PRO 131 N -0.14 -0.08 -0.24 0.00 0.11 -1.76 -0.42 132.00 129.47 3iwz h PRO 131 Ca 0.23 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.26 3iwz h PRO 131 Cb 0.51 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 3iwz h PRO 131 CO -0.61 -0.06 -0.22 0.00 -0.21 0.00 0.00 178.00 176.90 3iwz h ARG 132 N -0.09 0.44 0.68 1.05 3.08 -1.66 -1.88 114.38 116.00 3iwz h ARG 132 Ca 0.16 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3iwz h ARG 132 Cb 0.33 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.35 3iwz h ARG 132 CO -0.37 0.64 -0.33 0.82 -1.07 0.00 0.00 179.97 179.66 3iwz h ILE 133 N 0.39 0.05 -0.88 2.04 1.08 -0.38 -1.58 117.51 118.23 3iwz h ILE 133 Ca 0.06 -0.33 0.14 0.00 -0.39 0.00 0.00 64.86 64.35 3iwz h ILE 133 Cb 0.61 0.07 -0.09 0.00 -3.07 0.00 0.00 36.82 34.33 3iwz h ILE 133 CO 0.04 0.01 0.49 -0.07 -0.69 0.00 0.00 178.15 177.93 3iwz h LEU 134 N -1.22 0.64 -0.48 1.44 3.38 -1.12 -0.51 115.31 117.44 3iwz h LEU 134 Ca -0.09 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3iwz h LEU 134 Cb 0.71 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3iwz h LEU 134 CO 0.15 0.29 0.09 0.22 0.09 0.00 0.00 178.44 179.28 3iwz h TYR 135 N 0.72 0.84 -0.43 1.13 3.20 -1.35 0.15 116.97 121.24 3iwz h TYR 135 Ca 0.47 -0.11 0.01 0.00 3.14 0.00 0.00 58.73 62.23 3iwz h TYR 135 Cb 0.61 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3iwz h TYR 135 CO -0.06 0.77 0.28 0.00 -1.64 0.00 0.00 178.16 177.51 3iwz h ALA 136 N 0.97 0.54 -0.47 1.82 0.00 -0.17 0.86 119.26 122.82 3iwz h ALA 136 Ca 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3iwz h ALA 136 Cb 0.38 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3iwz h ALA 136 CO 0.01 -0.02 0.16 0.82 0.00 0.00 0.00 179.25 180.21 3iwz h ILE 137 N 0.56 1.19 -0.41 0.00 2.04 -0.87 -1.51 117.51 118.52 3iwz h ILE 137 Ca 0.16 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 3iwz h ILE 137 Cb -0.05 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3iwz h ILE 137 CO -0.05 0.24 0.24 1.23 0.00 0.00 0.00 178.15 179.81 3iwz h GLY 138 N 0.85 0.59 0.68 5.37 0.00 0.52 0.16 103.07 111.25 3iwz h GLY 138 Ca 0.16 -0.25 0.06 0.00 0.00 0.00 0.00 47.33 47.29 3iwz h GLY 138 CO -0.01 0.24 0.34 -2.08 0.00 0.00 0.00 176.54 175.03 3iwz h VAL 139 N 0.53 0.96 -0.31 4.60 2.07 -0.02 0.49 116.25 124.58 3iwz h VAL 139 Ca 0.15 -0.22 -0.16 0.00 0.82 0.00 0.00 66.70 67.29 3iwz h VAL 139 Cb 0.01 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 3iwz h VAL 139 CO -0.03 0.12 -0.43 1.56 0.02 0.00 0.00 177.57 178.81 3iwz h GLN 140 N 0.64 0.77 -0.70 1.57 4.20 -0.81 -2.01 115.11 118.76 3iwz h GLN 140 Ca 0.28 -0.42 -0.07 0.00 0.06 0.00 0.00 58.65 58.50 3iwz h GLN 140 Cb 0.18 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 3iwz h GLN 140 CO -0.18 1.05 0.15 -0.07 -0.67 0.00 0.00 178.83 179.11 3iwz h LEU 141 N 0.62 1.09 -0.92 1.46 3.38 -0.30 -2.59 115.31 118.04 3iwz h LEU 141 Ca 0.04 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 3iwz h LEU 141 Cb 0.99 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3iwz h LEU 141 CO 0.09 1.05 0.06 0.28 0.09 0.00 0.00 178.44 180.01 3iwz h SER 142 N 1.08 0.81 -0.43 -0.43 0.02 -0.68 -1.15 113.55 112.76 3iwz h SER 142 Ca 0.22 -0.18 -0.14 0.00 -0.84 0.00 0.00 61.79 60.85 3iwz h SER 142 Cb 0.40 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3iwz h SER 142 CO 0.01 0.84 -0.27 0.11 -1.14 0.00 0.00 176.83 176.38 3iwz h LYS 143 N 0.80 0.94 -0.37 3.45 1.57 -1.18 -1.79 116.57 119.98 3iwz h LYS 143 Ca 0.16 -0.44 -0.12 0.00 -1.87 0.00 0.00 60.65 58.39 3iwz h LYS 143 Cb 0.40 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3iwz h LYS 143 CO 0.01 1.10 -0.26 0.00 -0.57 0.00 0.00 179.45 179.73 3iwz h ARG 144 N 0.77 0.76 -0.13 3.15 3.08 -1.28 0.40 114.38 121.13 3iwz h ARG 144 Ca 0.09 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 3iwz h ARG 144 Cb 0.85 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 3iwz h ARG 144 CO 0.07 0.94 0.05 1.25 -1.07 0.00 0.00 179.97 181.21 3iwz h LEU 145 N 0.66 0.17 -0.34 3.04 5.85 -1.14 0.39 115.31 123.94 3iwz h LEU 145 Ca 0.08 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3iwz h LEU 145 Cb 0.78 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3iwz h LEU 145 CO 0.06 0.29 0.21 0.25 -0.34 0.00 0.00 178.44 178.92 3iwz h LEU 146 N 0.05 0.40 -0.59 2.25 5.85 -1.15 0.29 115.31 122.41 3iwz h LEU 146 Ca 0.04 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3iwz h LEU 146 Cb 0.17 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3iwz h LEU 146 CO -0.00 0.32 0.25 0.44 -0.34 0.00 0.00 178.44 179.11 3iwz h ASP 147 N 0.45 0.81 0.00 1.25 3.32 -0.67 -1.65 116.42 119.93 3iwz h ASP 147 Ca 0.12 -0.16 -0.18 0.00 0.02 0.00 0.00 57.03 56.84 3iwz h ASP 147 Cb -0.02 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 3iwz h ASP 147 CO -0.02 0.75 -0.61 0.74 -1.72 0.00 0.00 179.24 178.37 3iwz h THR 148 N 0.82 1.32 -0.91 0.35 2.02 0.00 -1.66 112.91 114.85 3iwz h THR 148 Ca 0.20 -1.88 0.03 0.00 0.77 0.00 0.00 66.41 65.54 3iwz h THR 148 Cb 0.18 1.84 -0.05 0.00 -1.74 0.00 0.00 68.15 68.38 3iwz h THR 148 CO -0.02 0.58 0.59 0.74 0.37 0.00 0.00 175.52 177.78 3iwz h THR 149 N 0.45 1.15 -0.42 3.16 2.02 -0.25 -0.22 112.91 118.81 3iwz h THR 149 Ca -0.01 -0.39 -0.11 0.00 0.77 0.00 0.00 66.41 66.68 3iwz h THR 149 Cb 1.18 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 3iwz h THR 149 CO 0.12 0.21 -0.17 0.03 0.37 0.00 0.00 175.52 176.07 3iwz h ARG 150 N 1.14 0.79 -0.18 6.66 3.08 -1.04 -2.14 114.38 122.69 3iwz h ARG 150 Ca 0.36 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3iwz h ARG 150 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3iwz h ARG 150 CO -0.12 0.91 0.06 -0.22 -1.07 0.00 0.00 179.97 179.53 3iwz h LYS 151 N 0.70 0.28 -0.77 0.04 3.64 -0.34 -0.91 116.57 119.22 3iwz h LYS 151 Ca 0.11 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 3iwz h LYS 151 Cb 0.68 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 3iwz h LYS 151 CO 0.05 0.39 0.47 0.00 -2.27 0.00 0.00 179.45 178.09 3iwz h ALA 152 N 0.88 1.03 -0.68 5.00 0.00 -0.99 0.30 119.26 124.80 3iwz h ALA 152 Ca 0.06 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3iwz h ALA 152 Cb 0.22 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3iwz h ALA 152 CO -0.00 0.23 0.44 1.03 0.00 0.00 0.00 179.25 180.95 3iwz h SER 153 N 0.90 0.74 -0.37 0.00 0.87 -1.01 -1.54 113.55 113.13 3iwz h SER 153 Ca 0.32 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.76 3iwz h SER 153 Cb 0.09 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 3iwz h SER 153 CO -0.14 0.52 -0.21 0.03 -0.53 0.00 0.00 176.83 176.51 3iwz h ARG 154 N 0.88 0.79 0.00 2.24 3.08 -0.05 -2.16 114.38 119.16 3iwz h ARG 154 Ca 0.26 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3iwz h ARG 154 Cb -0.04 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3iwz h ARG 154 CO -0.08 0.98 0.00 -0.07 -1.07 0.00 0.00 179.97 179.73 3iwz h LEU 155 N 0.59 0.00 0.09 3.04 3.38 -0.14 -1.23 115.31 121.04 3iwz h LEU 155 Ca 0.08 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.69 3iwz h LEU 155 Cb 0.76 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 3iwz h LEU 155 CO 0.06 0.00 -2.05 0.00 0.09 0.00 0.00 178.44 176.54 3iwz n ALA 156 N -1.84 0.99 0.13 1.53 0.00 -0.61 -4.75 120.51 115.96 3iwz n ALA 156 Ca 0.01 -0.69 0.03 0.00 0.00 0.00 0.00 53.44 52.78 3iwz n ALA 156 Cb 0.18 -0.54 -0.04 0.00 0.00 0.00 0.00 19.45 19.05 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 -3.54 0.00 -4.01 0.00 3.72 -0.84 -5.04 117.46 107.75 3iwz n PHE 157 Ca -0.35 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.73 3iwz n PHE 157 Cb 1.00 -0.07 -0.06 0.00 -0.94 0.00 0.00 39.48 39.41 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 -2.88 4.03 0.65 4.37 1.43 -0.47 -5.08 118.68 120.73 3iwz s LEU 158 Ca -0.00 0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 3iwz s LEU 158 Cb 0.04 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 3iwz s LEU 158 CO 0.25 0.21 1.04 1.51 0.23 0.00 0.00 176.35 179.59 3iwz s ASP 159 N -2.21 5.95 0.02 2.29 -4.77 -1.26 -4.75 116.67 111.94 3iwz s ASP 159 Ca 0.29 1.45 -0.06 0.00 -3.30 0.00 0.00 52.55 50.93 3iwz s ASP 159 Cb -0.12 -2.44 -0.02 0.00 -1.09 0.00 0.00 42.92 39.24 3iwz s ASP 159 CO 0.21 -1.05 1.11 0.58 0.70 0.00 0.00 175.17 176.71 3iwz h VAL 160 N -0.45 0.00 -0.87 2.11 2.07 -1.96 0.24 116.25 117.40 3iwz h VAL 160 Ca -0.44 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.31 3iwz h VAL 160 Cb 1.20 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.83 3iwz h VAL 160 CO 0.61 0.00 0.20 0.71 0.02 0.00 0.00 177.57 179.10 3iwz h THR 161 N -0.11 0.30 0.04 2.57 1.35 -1.97 0.29 112.91 115.38 3iwz h THR 161 Ca 0.01 -0.06 0.02 0.00 -0.55 0.00 0.00 66.41 65.82 3iwz h THR 161 Cb 0.13 0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 66.63 3iwz h THR 161 CO -0.08 0.03 -0.14 -0.78 -0.25 0.00 0.00 175.52 174.30 3iwz h ASP 162 N 0.18 -0.40 -0.79 5.36 1.82 -1.65 -1.45 116.42 119.49 3iwz h ASP 162 Ca 0.54 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 57.23 3iwz h ASP 162 Cb 1.08 0.16 -0.04 0.00 0.68 0.00 0.00 39.33 41.21 3iwz h ASP 162 CO -0.67 -0.20 0.47 0.03 -1.61 0.00 0.00 179.24 177.25 3iwz h ARG 163 N -0.26 1.08 -0.57 0.28 3.08 0.28 -2.54 114.38 115.74 3iwz h ARG 163 Ca 0.03 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 3iwz h ARG 163 Cb 0.30 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3iwz h ARG 163 CO -0.11 0.77 0.34 0.82 -1.07 0.00 0.00 179.97 180.72 3iwz h ILE 164 N 1.09 1.17 -0.03 2.04 2.04 -0.51 -1.20 117.51 122.11 3iwz h ILE 164 Ca 0.28 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.75 3iwz h ILE 164 Cb -0.02 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 3iwz h ILE 164 CO -0.05 0.18 -0.02 0.58 0.00 0.00 0.00 178.15 178.84 3iwz h VAL 165 N 0.77 0.93 -0.50 1.67 2.07 -1.04 -0.04 116.25 120.11 3iwz h VAL 165 Ca 0.20 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.80 3iwz h VAL 165 Cb -0.00 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 3iwz h VAL 165 CO -0.04 0.00 0.15 0.03 0.02 0.00 0.00 177.57 177.73 3iwz h ARG 166 N -0.02 0.29 0.00 1.57 3.08 -1.22 -1.88 114.38 116.20 3iwz h ARG 166 Ca 0.02 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 3iwz h ARG 166 Cb 0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3iwz h ARG 166 CO -0.05 0.20 -0.33 1.15 -1.07 0.00 0.00 179.97 179.86 3iwz h THR 167 N 0.30 1.03 -0.32 2.04 2.02 -0.89 -2.35 112.91 114.74 3iwz h THR 167 Ca 0.25 -1.23 -0.11 0.00 0.77 0.00 0.00 66.41 66.09 3iwz h THR 167 Cb 0.30 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 3iwz h THR 167 CO -0.28 0.33 -0.24 -0.07 0.37 0.00 0.00 175.52 175.62 3iwz h LEU 168 N 0.00 0.64 -0.44 2.58 3.38 -0.21 -2.88 115.31 118.39 3iwz h LEU 168 Ca -0.00 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.59 3iwz h LEU 168 Cb 0.68 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3iwz h LEU 168 CO 0.04 0.87 -0.72 0.45 0.09 0.00 0.00 178.44 179.18 3iwz h HIS 169 N 0.56 0.00 -0.33 1.13 3.86 -1.04 -2.81 115.15 116.53 3iwz h HIS 169 Ca 0.08 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.19 3iwz h HIS 169 Cb 0.71 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.17 3iwz h HIS 169 CO 0.03 0.72 -0.21 0.22 0.86 0.00 0.00 177.93 179.55 3iwz h ASP 170 N 0.00 0.61 0.92 2.45 3.58 -1.26 -2.72 116.42 120.01 3iwz h ASP 170 Ca -0.01 -0.20 -0.14 0.00 0.42 0.00 0.00 57.03 57.10 3iwz h ASP 170 Cb 1.34 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 42.20 3iwz h ASP 170 CO 0.09 0.82 -0.66 -0.07 -2.88 0.00 0.00 179.24 176.54 3iwz h LEU 171 N 0.55 0.00 -2.59 2.28 3.38 -1.48 -2.92 115.31 114.53 3iwz h LEU 171 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3iwz h LEU 171 Cb 0.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3iwz h LEU 171 CO 0.05 0.66 -0.01 0.28 0.09 0.00 0.00 178.44 179.51 3iwz h SER 172 N 0.00 0.00 -0.24 -0.43 0.02 -1.21 0.54 113.55 112.24 3iwz h SER 172 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3iwz h SER 172 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 3iwz h SER 172 CO 0.09 0.01 0.00 0.29 -1.14 0.00 0.00 176.83 176.08 3iwz n LYS 173 N -3.55 2.27 -2.65 3.45 4.01 -1.11 -4.70 118.16 115.88 3iwz n LYS 173 Ca -0.03 -1.90 -0.41 0.00 -0.51 0.00 0.00 58.31 55.47 3iwz n LYS 173 Cb 0.09 -1.48 -0.05 0.00 -0.51 0.00 0.00 35.03 33.09 3iwz n LYS 173 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 3iwz s GLU 174 N -1.71 4.73 0.64 1.97 -1.05 0.19 -4.89 118.70 118.58 3iwz s GLU 174 Ca 0.35 1.58 0.24 0.00 -0.15 0.00 0.00 54.97 56.98 3iwz s GLU 174 Cb 0.21 -3.29 1.20 0.00 -0.44 0.00 0.00 34.13 31.81 3iwz s GLU 174 CO 0.30 0.29 1.67 -1.35 0.95 0.00 0.00 175.26 177.13 3iwz h PRO 175 N 4.69 0.00 -0.34 -4.83 0.11 -1.91 0.39 132.00 130.10 3iwz h PRO 175 Ca -0.45 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.49 3iwz h PRO 175 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3iwz h PRO 175 CO 0.70 0.00 -0.46 0.93 -0.21 0.00 0.00 178.00 178.96 3iwz h GLU 176 N 0.00 0.92 -4.49 1.05 5.08 -1.90 -3.44 114.58 111.79 3iwz h GLU 176 Ca 0.11 -0.53 -0.57 0.00 -1.00 0.00 0.00 59.36 57.37 3iwz h GLU 176 Cb 1.31 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.57 3iwz h GLU 176 CO -0.00 1.18 1.03 0.00 -1.00 0.00 0.00 179.01 180.21 3iwz n ALA 177 N -2.56 0.17 -2.76 3.43 0.00 0.14 -4.85 120.51 114.08 3iwz n ALA 177 Ca -0.03 0.12 -0.44 0.00 0.00 0.00 0.00 53.44 53.09 3iwz n ALA 177 Cb 0.59 -1.59 -0.07 0.00 0.00 0.00 0.00 19.45 18.37 3iwz n ALA 177 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3iwz s MET 178 N 4.73 3.06 0.50 0.00 1.75 -0.78 -4.92 119.30 123.65 3iwz s MET 178 Ca 0.92 -1.04 -0.19 0.00 -1.25 0.00 0.00 55.69 54.13 3iwz s MET 178 Cb -1.12 -4.09 -0.13 0.00 2.84 0.00 0.00 34.83 32.32 3iwz s MET 178 CO 0.49 -1.09 0.12 0.43 -0.65 0.00 0.00 175.02 174.32 3iwz n SER 179 N 5.72 -2.69 -4.02 1.11 7.64 -1.26 -0.29 113.62 119.83 3iwz n SER 179 Ca -0.09 0.72 -0.09 0.00 1.01 0.00 0.00 58.87 60.42 3iwz n SER 179 Cb 0.45 -0.96 -0.11 0.00 -1.01 0.00 0.00 64.21 62.59 3iwz n SER 179 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3iwz s HIS 180 N -1.85 0.37 0.59 1.43 2.46 -0.96 -4.53 115.29 112.79 3iwz s HIS 180 Ca 0.61 -0.70 0.29 0.00 0.47 0.00 0.00 55.06 55.73 3iwz s HIS 180 Cb -0.51 -0.27 1.78 0.00 -0.13 0.00 0.00 32.58 33.45 3iwz s HIS 180 CO 0.62 -0.24 2.22 -1.35 -2.47 0.00 0.00 174.74 173.52 3iwz h PRO 181 N 4.16 0.00 0.12 2.88 0.11 -1.99 -2.55 132.00 134.73 3iwz h PRO 181 Ca -0.33 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.47 3iwz h PRO 181 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3iwz h PRO 181 CO 0.49 0.00 -1.63 1.96 -0.21 0.00 0.00 178.00 178.61 3iwz h GLN 182 N 0.00 0.26 0.00 1.05 1.08 -1.96 -3.50 115.11 112.04 3iwz h GLN 182 Ca 0.02 -0.44 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 3iwz h GLN 182 Cb 0.12 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 3iwz h GLN 182 CO -0.00 1.21 0.00 0.41 -0.95 0.00 0.00 178.83 179.50 3iwz n GLY 183 N 1.81 -1.40 3.07 3.46 0.00 -0.96 -2.70 105.19 108.47 3iwz n GLY 183 Ca -0.28 0.66 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 0.44 -0.02 -0.49 2.61 2.01 -0.84 -2.28 115.64 117.08 3iwz s THR 184 Ca 0.00 0.07 -0.19 0.00 0.31 0.00 0.00 61.69 61.88 3iwz s THR 184 Cb 0.00 -0.33 0.05 0.00 0.01 0.00 0.00 72.50 72.23 3iwz s THR 184 CO 0.00 0.03 0.58 -1.58 -0.69 0.00 0.00 174.62 172.96 3iwz s GLN 185 N 0.61 3.11 -0.32 4.92 2.00 0.60 -1.08 119.66 129.50 3iwz s GLN 185 Ca -0.04 -0.91 -0.05 0.00 -2.00 0.00 0.00 55.36 52.36 3iwz s GLN 185 Cb -0.05 -4.08 0.04 0.00 0.80 0.00 0.00 33.01 29.71 3iwz s GLN 185 CO -0.03 -1.15 0.06 -0.51 -0.50 0.00 0.00 175.29 173.15 3iwz s LEU 186 N 2.47 4.09 -0.83 3.68 1.43 0.11 -1.86 118.68 127.78 3iwz s LEU 186 Ca 0.14 -1.14 -0.26 0.00 -1.03 0.00 0.00 54.13 51.85 3iwz s LEU 186 Cb -0.19 -1.81 0.04 0.00 0.03 0.00 0.00 46.19 44.25 3iwz s LEU 186 CO 0.12 -0.29 1.34 -0.60 0.23 0.00 0.00 176.35 177.15 3iwz s ARG 187 N 1.36 3.31 -0.11 1.70 3.52 -1.26 -1.23 118.95 126.23 3iwz s ARG 187 Ca -0.02 -0.51 -0.03 0.00 -0.13 0.00 0.00 55.73 55.03 3iwz s ARG 187 Cb -0.19 -4.55 0.05 0.00 -1.56 0.00 0.00 34.95 28.69 3iwz s ARG 187 CO 0.01 -2.18 0.07 0.08 -0.81 0.00 0.00 175.30 172.47 3iwz s VAL 188 N 5.53 -0.01 0.67 7.11 1.01 -1.23 -4.99 120.40 128.49 3iwz s VAL 188 Ca 0.39 0.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.27 3iwz s VAL 188 Cb -0.06 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 35.89 3iwz s VAL 188 CO 0.07 -0.05 1.23 -0.94 0.00 0.00 0.00 175.10 175.41 3iwz s SER 189 N 2.11 4.58 0.43 3.32 1.04 -1.25 -4.72 113.70 119.21 3iwz s SER 189 Ca 0.03 2.43 0.13 0.00 0.48 0.00 0.00 55.95 59.01 3iwz s SER 189 Cb -0.14 -2.60 1.01 0.00 0.10 0.00 0.00 66.02 64.39 3iwz s SER 189 CO -0.06 -2.01 2.01 -0.09 0.98 0.00 0.00 173.24 174.06 3iwz h ARG 190 N 0.24 0.41 0.12 4.02 2.43 -1.89 -1.20 114.38 118.50 3iwz h ARG 190 Ca -0.49 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 3iwz h ARG 190 Cb 1.31 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3iwz h ARG 190 CO 0.52 0.27 -0.06 1.96 -1.51 0.00 0.00 179.97 181.15 3iwz h GLN 191 N 0.42 -0.16 -0.50 0.20 4.20 -1.90 -2.47 115.11 114.90 3iwz h GLN 191 Ca 0.23 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.92 3iwz h GLN 191 Cb 0.39 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3iwz h GLN 191 CO -0.06 0.07 0.16 0.93 -0.67 0.00 0.00 178.83 179.27 3iwz h GLU 192 N -0.37 0.74 -0.16 1.46 4.39 -1.74 -1.52 114.58 117.38 3iwz h GLU 192 Ca -0.02 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 3iwz h GLU 192 Cb 0.30 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3iwz h GLU 192 CO 0.03 0.64 0.09 1.25 -1.16 0.00 0.00 179.01 179.86 3iwz h LEU 193 N 0.73 0.20 -1.62 1.33 5.85 -1.18 0.14 115.31 120.75 3iwz h LEU 193 Ca 0.17 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3iwz h LEU 193 Cb 0.21 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3iwz h LEU 193 CO -0.01 0.20 -0.13 0.00 -0.34 0.00 0.00 178.44 178.16 3iwz h ALA 194 N 1.01 1.69 0.00 1.25 0.00 -1.09 -1.17 119.26 120.95 3iwz h ALA 194 Ca 0.06 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3iwz h ALA 194 Cb 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3iwz h ALA 194 CO -0.01 0.23 -0.35 0.00 0.00 0.00 0.00 179.25 179.12 3iwz h ARG 195 N 0.08 0.00 0.03 0.00 3.08 -0.58 0.22 114.38 117.21 3iwz h ARG 195 Ca 0.02 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 3iwz h ARG 195 Cb 0.28 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.34 3iwz h ARG 195 CO 0.02 0.35 -0.45 -0.07 -1.07 0.00 0.00 179.97 178.74 3iwz h LEU 196 N 0.00 0.36 -0.64 3.04 3.38 0.44 0.11 115.31 121.99 3iwz h LEU 196 Ca -0.00 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.14 3iwz h LEU 196 Cb 1.18 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3iwz h LEU 196 CO 0.05 1.14 -0.32 1.33 0.09 0.00 0.00 178.44 180.72 3iwz n VAL 197 N -4.35 0.00 -2.23 1.22 0.24 -0.72 -4.71 118.33 107.78 3iwz n VAL 197 Ca -0.11 -0.17 -0.05 0.00 -2.04 0.00 0.00 64.34 61.98 3iwz n VAL 197 Cb 0.62 0.64 0.02 0.00 -1.47 0.00 0.00 33.84 33.66 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 1.36 0.23 3.23 7.63 0.00 -0.70 -4.96 105.19 111.99 3iwz n GLY 198 Ca 0.11 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.05 5.87 0.47 0.00 1.04 -1.26 -4.39 113.70 112.38 3iwz s SER 200 Ca 0.25 2.53 0.23 0.00 0.48 0.00 0.00 55.95 59.44 3iwz s SER 200 Cb 0.06 -2.62 1.25 0.00 0.10 0.00 0.00 66.02 64.81 3iwz s SER 200 CO 0.04 -1.14 1.89 -0.09 0.98 0.00 0.00 173.24 174.92 3iwz h ARG 201 N 1.95 0.21 0.37 4.02 2.43 -1.90 -1.03 114.38 120.43 3iwz h ARG 201 Ca -0.50 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.64 3iwz h ARG 201 Cb 1.27 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3iwz h ARG 201 CO 0.60 0.14 -0.18 1.05 -1.51 0.00 0.00 179.97 180.07 3iwz h GLU 202 N 0.22 -0.48 -0.83 0.20 9.09 -1.92 -3.04 114.58 117.82 3iwz h GLU 202 Ca 0.42 0.03 0.16 0.00 0.05 0.00 0.00 59.36 60.02 3iwz h GLU 202 Cb 1.30 0.11 -0.10 0.00 -1.65 0.00 0.00 28.75 28.41 3iwz h GLU 202 CO -0.09 -0.21 0.39 1.98 0.05 0.00 0.00 179.01 181.12 3iwz h MET 203 N -1.04 0.52 -0.41 1.06 4.05 -1.75 0.80 114.93 118.16 3iwz h MET 203 Ca -0.05 -0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.44 3iwz h MET 203 Cb 0.49 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 3iwz h MET 203 CO 0.08 0.34 0.29 0.00 0.23 0.00 0.00 176.91 177.85 3iwz h ALA 204 N 1.58 2.29 -0.08 0.39 0.00 -1.27 -0.80 119.26 121.36 3iwz h ALA 204 Ca 0.46 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 3iwz h ALA 204 Cb 0.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3iwz h ALA 204 CO -0.40 -0.40 -0.24 0.78 0.00 0.00 0.00 179.25 179.00 3iwz h GLY 205 N 0.07 0.32 0.30 0.00 0.00 0.71 -2.60 103.07 101.86 3iwz h GLY 205 Ca 0.19 -0.42 0.20 0.00 0.00 0.00 0.00 47.33 47.31 3iwz h GLY 205 CO -0.02 0.37 0.60 -0.09 0.00 0.00 0.00 176.54 177.41 3iwz h ARG 206 N -0.20 0.40 0.00 4.80 2.43 -0.27 0.43 114.38 121.97 3iwz h ARG 206 Ca -0.01 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 58.95 3iwz h ARG 206 Cb 0.86 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 3iwz h ARG 206 CO 0.05 0.26 -0.98 0.28 -1.51 0.00 0.00 179.97 178.08 3iwz h VAL 207 N 0.41 1.24 -0.02 0.20 2.07 -1.40 -2.42 116.25 116.33 3iwz h VAL 207 Ca 0.47 -2.84 -0.13 0.00 0.82 0.00 0.00 66.70 65.02 3iwz h VAL 207 Cb 1.17 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 33.52 3iwz h VAL 207 CO -0.18 0.71 -0.60 -0.07 0.02 0.00 0.00 177.57 177.45 3iwz h LEU 208 N 0.00 0.09 0.18 2.57 3.38 -0.55 -1.55 115.31 119.42 3iwz h LEU 208 Ca -0.06 -0.05 -0.24 0.00 0.09 0.00 0.00 57.88 57.62 3iwz h LEU 208 Cb 1.67 -0.02 0.03 0.00 0.09 0.00 0.00 40.66 42.42 3iwz h LEU 208 CO 0.10 0.66 -1.06 0.50 0.09 0.00 0.00 178.44 178.73 3iwz h LYS 209 N 0.06 0.39 0.00 1.13 3.64 -1.31 -2.17 116.57 118.31 3iwz h LYS 209 Ca -0.01 -0.67 -0.01 0.00 -1.27 0.00 0.00 60.65 58.70 3iwz h LYS 209 Cb 1.07 0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 3iwz h LYS 209 CO 0.08 1.32 -0.03 -0.22 -2.27 0.00 0.00 179.45 178.33 3iwz h LYS 210 N -0.18 0.00 0.00 1.90 1.63 -1.39 0.19 116.57 118.73 3iwz h LYS 210 Ca -0.18 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 3iwz h LYS 210 Cb 1.83 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.46 3iwz h LYS 210 CO 0.20 0.03 -0.94 -0.07 -3.45 0.00 0.00 179.45 175.23 3iwz h LEU 211 N 0.00 0.00 0.00 5.20 3.38 -1.28 -1.83 115.31 120.78 3iwz h LEU 211 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3iwz h LEU 211 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3iwz h LEU 211 CO 0.00 0.00 -0.00 -0.61 0.09 0.00 0.00 178.44 177.93 3iwz h GLN 212 N 0.00 0.00 0.00 1.13 4.15 -0.03 -3.12 115.11 117.24 3iwz h GLN 212 Ca 0.00 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 3iwz h GLN 212 Cb 0.99 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.66 3iwz h GLN 212 CO 0.00 0.00 -0.90 0.00 -1.93 0.00 0.00 178.83 176.00 3iwz h ALA 213 N 2.06 0.15 0.00 3.38 0.00 -1.04 -3.35 119.26 120.46 3iwz h ALA 213 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.02 3iwz h ALA 213 Cb 0.97 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3iwz h ALA 213 CO 0.00 0.59 0.11 -0.25 0.00 0.00 0.00 179.25 179.70 3iwz n ASP 214 N -4.52 0.00 -2.55 0.00 9.92 -0.69 -4.83 116.55 113.88 3iwz n ASP 214 Ca -0.21 0.18 -0.05 0.00 -0.53 0.00 0.00 54.79 54.18 3iwz n ASP 214 Cb 0.49 -0.18 0.01 0.00 -0.64 0.00 0.00 41.12 40.80 3iwz n ASP 214 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3iwz n GLY 215 N -1.10 -1.15 0.00 0.44 0.00 -1.19 -4.98 105.19 97.21 3iwz n GLY 215 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.88 3iwz n GLY 215 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iwz n LEU 216 N -0.51 0.00 -3.56 0.99 7.94 -1.18 -5.04 117.00 115.63 3iwz n LEU 216 Ca 0.08 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.92 3iwz n LEU 216 Cb 0.37 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.30 3iwz n LEU 216 CO 0.37 0.09 0.82 -1.48 -1.11 0.00 0.00 177.39 176.09 3iwz s LEU 217 N 0.00 -0.25 -0.24 -1.96 0.05 -1.24 0.42 118.68 115.46 3iwz s LEU 217 Ca 0.00 -0.04 0.02 0.00 0.05 0.00 0.00 54.13 54.16 3iwz s LEU 217 Cb 0.00 1.78 0.06 0.00 -2.05 0.00 0.00 46.19 45.98 3iwz s LEU 217 CO 0.00 -0.49 -0.10 -2.28 -0.55 0.00 0.00 176.35 172.93 3iwz s HIS 218 N -2.85 2.87 -1.08 3.48 2.46 -0.67 -4.16 115.29 115.34 3iwz s HIS 218 Ca 0.08 -2.03 -0.23 0.00 0.47 0.00 0.00 55.06 53.35 3iwz s HIS 218 Cb -0.01 -1.78 -0.03 0.00 -0.13 0.00 0.00 32.58 30.62 3iwz s HIS 218 CO -0.06 -0.83 1.85 0.00 -2.47 0.00 0.00 174.74 173.23 3iwz s ALA 219 N 1.24 2.08 -1.02 1.58 0.00 -1.26 -2.53 121.76 121.85 3iwz s ALA 219 Ca -0.06 -2.05 -0.17 0.00 0.00 0.00 0.00 51.96 49.67 3iwz s ALA 219 Cb -0.19 -4.61 0.15 0.00 0.00 0.00 0.00 23.12 18.46 3iwz s ALA 219 CO -0.06 -4.62 1.22 0.50 0.00 0.00 0.00 175.76 172.80 3iwz s ARG 220 N 6.15 3.77 0.00 0.00 3.52 -0.48 -4.92 118.95 126.99 3iwz s ARG 220 Ca 0.64 -2.06 0.00 0.00 -0.13 0.00 0.00 55.73 54.18 3iwz s ARG 220 Cb -0.02 -4.95 0.00 0.00 -1.56 0.00 0.00 34.95 28.42 3iwz s ARG 220 CO 0.05 -1.75 0.00 0.41 -0.81 0.00 0.00 175.30 173.19 3iwz n GLY 221 N 4.98 -0.03 0.01 8.12 0.00 -1.26 0.58 105.19 117.58 3iwz n GLY 221 Ca 0.28 0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.38 3iwz n GLY 221 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3iwz n LYS 222 N 0.00 0.49 -4.00 1.61 3.00 -1.26 -4.86 118.16 113.14 3iwz n LYS 222 Ca 0.00 -0.06 -0.23 0.00 -0.00 0.00 0.00 58.31 58.02 3iwz n LYS 222 Cb 0.00 -1.18 -0.06 0.00 0.00 0.00 0.00 35.03 33.79 3iwz n LYS 222 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3iwz s THR 223 N -2.48 2.65 -0.06 3.15 -4.23 0.20 -3.56 115.64 111.30 3iwz s THR 223 Ca -0.03 -1.62 -0.00 0.00 -1.18 0.00 0.00 61.69 58.86 3iwz s THR 223 Cb 0.04 -2.99 0.02 0.00 1.34 0.00 0.00 72.50 70.92 3iwz s THR 223 CO 0.30 -0.07 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.59 3iwz s VAL 224 N -2.51 0.54 -0.65 2.29 1.01 -0.37 -1.38 120.40 119.34 3iwz s VAL 224 Ca 0.41 -0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.23 3iwz s VAL 224 Cb 0.00 -0.61 0.17 0.00 0.00 0.00 0.00 36.38 35.93 3iwz s VAL 224 CO 0.24 0.26 0.55 -0.69 0.00 0.00 0.00 175.10 175.46 3iwz s VAL 225 N 1.41 4.84 -0.39 2.92 1.01 -1.05 0.10 120.40 129.24 3iwz s VAL 225 Ca -0.03 -2.20 -0.29 0.00 0.00 0.00 0.00 61.98 59.46 3iwz s VAL 225 Cb -0.13 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.17 3iwz s VAL 225 CO -0.03 -0.91 1.51 -0.22 0.00 0.00 0.00 175.10 175.45 3iwz s LEU 226 N 0.70 3.57 0.52 3.92 2.96 -0.24 -1.67 118.68 128.44 3iwz s LEU 226 Ca 0.12 0.95 -0.23 0.00 -0.22 0.00 0.00 54.13 54.75 3iwz s LEU 226 Cb -0.20 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.90 3iwz s LEU 226 CO -0.04 -1.50 1.37 -0.31 -1.32 0.00 0.00 176.35 174.56 3iwz s TYR 227 N 5.78 2.35 0.00 5.38 4.12 0.17 -1.98 117.35 133.16 3iwz s TYR 227 Ca 0.66 1.35 0.00 0.00 0.02 0.00 0.00 57.07 59.10 3iwz s TYR 227 Cb -0.16 -3.82 0.00 0.00 -1.52 0.00 0.00 41.96 36.46 3iwz s TYR 227 CO 0.33 -2.88 0.00 0.41 0.02 0.00 0.00 175.55 173.43 3iwz n GLY 228 N 0.68 1.19 0.08 0.71 0.00 -1.10 -4.84 105.19 101.90 3iwz n GLY 228 Ca 0.09 -0.70 0.16 0.00 0.00 0.00 0.00 46.02 45.57 3iwz n GLY 228 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02