#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwz h LEU 44 N 0.00 0.18 -0.84 -2.67 3.38 -1.99 -2.03 115.31 111.33 3dwz h LEU 44 Ca 0.00 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3dwz h LEU 44 Cb 0.00 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3dwz h LEU 44 CO 0.00 0.12 0.39 0.00 0.09 0.00 0.00 178.44 179.04 3dwz h ALA 45 N 1.39 1.09 -0.77 1.53 0.00 -1.99 0.20 119.26 120.72 3dwz h ALA 45 Ca 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3dwz h ALA 45 Cb 0.34 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3dwz h ALA 45 CO -0.29 0.67 0.34 -0.44 0.00 0.00 0.00 179.25 179.53 3dwz h ASP 46 N 1.21 1.02 -0.36 0.00 3.32 -1.92 -0.93 116.42 118.77 3dwz h ASP 46 Ca 0.29 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3dwz h ASP 46 Cb 0.14 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3dwz h ASP 46 CO -0.03 0.89 -0.02 0.03 -1.72 0.00 0.00 179.24 178.38 3dwz h ARG 47 N 1.09 0.66 -0.49 3.56 2.47 -0.53 -1.02 114.38 120.11 3dwz h ARG 47 Ca 0.26 -0.22 -0.05 0.00 -1.26 0.00 0.00 59.98 58.71 3dwz h ARG 47 Cb 0.16 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.40 3dwz h ARG 47 CO -0.03 0.78 0.12 0.74 0.56 0.00 0.00 179.97 182.14 3dwz h PHE 48 N 0.47 0.83 -0.82 3.04 0.04 -0.52 -2.03 116.94 117.95 3dwz h PHE 48 Ca 0.10 -0.10 0.06 0.00 2.80 0.00 0.00 57.97 60.83 3dwz h PHE 48 Cb 0.50 -0.23 -0.06 0.00 2.20 0.00 0.00 35.95 38.36 3dwz h PHE 48 CO 0.04 0.74 0.50 0.00 -0.60 0.00 0.00 178.31 178.99 3dwz h ALA 49 N 0.99 1.11 -0.69 2.45 0.00 -1.07 -1.62 119.26 120.43 3dwz h ALA 49 Ca 0.15 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.13 3dwz h ALA 49 Cb 0.33 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3dwz h ALA 49 CO 0.00 0.25 0.37 0.93 0.00 0.00 0.00 179.25 180.79 3dwz h GLU 50 N 0.92 0.64 -0.71 0.00 5.08 -0.88 -2.05 114.58 117.58 3dwz h GLU 50 Ca 0.35 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 3dwz h GLU 50 Cb 0.15 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3dwz h GLU 50 CO -0.17 0.42 0.24 -0.07 -1.00 0.00 0.00 179.01 178.43 3dwz h LEU 51 N 0.66 1.01 -0.44 1.33 3.38 -0.85 -0.72 115.31 119.69 3dwz h LEU 51 Ca 0.32 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3dwz h LEU 51 Cb 0.26 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3dwz h LEU 51 CO -0.22 0.93 0.24 -0.33 0.09 0.00 0.00 178.44 179.16 3dwz h GLU 52 N 1.05 0.47 -0.77 1.13 5.08 -0.80 -1.34 114.58 119.39 3dwz h GLU 52 Ca 0.23 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3dwz h GLU 52 Cb 0.27 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3dwz h GLU 52 CO -0.01 0.31 0.31 0.00 -1.00 0.00 0.00 179.01 178.62 3dwz h ARG 53 N 0.49 1.15 -0.79 2.33 3.08 -1.08 -0.31 114.38 119.24 3dwz h ARG 53 Ca 0.18 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3dwz h ARG 53 Cb 0.05 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 3dwz h ARG 53 CO -0.10 0.93 0.32 -0.09 -1.07 0.00 0.00 179.97 179.96 3dwz h ARG 54 N 1.12 1.19 -0.45 0.04 2.43 -0.63 -3.07 114.38 115.01 3dwz h ARG 54 Ca 0.26 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3dwz h ARG 54 Cb 0.21 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3dwz h ARG 54 CO -0.02 0.96 0.00 0.66 -1.51 0.00 0.00 179.97 180.06 3dwz n TYR 55 N -4.28 0.74 -4.18 2.20 4.02 -0.55 -4.96 117.16 110.14 3dwz n TYR 55 Ca 0.07 -0.55 -0.36 0.00 -0.01 0.00 0.00 57.90 57.05 3dwz n TYR 55 Cb 0.19 -0.08 -0.04 0.00 -0.02 0.00 0.00 39.34 39.39 3dwz n TYR 55 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3dwz n ASP 56 N 0.71 -1.19 -4.36 7.72 2.03 -0.30 -4.92 116.55 116.23 3dwz n ASP 56 Ca 0.17 -1.26 -0.19 0.00 0.52 0.00 0.00 54.79 54.04 3dwz n ASP 56 Cb 0.57 -1.80 -0.10 0.00 -0.72 0.00 0.00 41.12 39.06 3dwz n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dwz s ALA 57 N -4.01 2.00 -0.16 -1.67 0.00 -0.28 -4.57 121.76 113.07 3dwz s ALA 57 Ca 0.19 -1.79 -0.03 0.00 0.00 0.00 0.00 51.96 50.33 3dwz s ALA 57 Cb -0.10 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 3dwz s ALA 57 CO 0.98 -0.15 -0.05 0.50 0.00 0.00 0.00 175.76 177.04 3dwz s ARG 58 N -3.79 3.61 -0.07 0.00 3.52 -0.03 -4.62 118.95 117.58 3dwz s ARG 58 Ca 0.27 -0.55 0.05 0.00 -0.13 0.00 0.00 55.73 55.38 3dwz s ARG 58 Cb 0.04 -2.90 -0.01 0.00 -1.56 0.00 0.00 34.95 30.53 3dwz s ARG 58 CO 0.09 0.19 -0.24 -1.17 -0.81 0.00 0.00 175.30 173.36 3dwz s LEU 59 N 0.49 2.05 -0.04 -0.88 2.96 -1.26 -1.67 118.68 120.33 3dwz s LEU 59 Ca -0.04 -0.51 0.05 0.00 -0.22 0.00 0.00 54.13 53.41 3dwz s LEU 59 Cb -0.14 -1.34 -0.01 0.00 0.50 0.00 0.00 46.19 45.20 3dwz s LEU 59 CO 0.03 0.21 -0.20 -0.83 -1.32 0.00 0.00 176.35 174.24 3dwz s GLY 60 N 0.01 1.03 -0.02 7.98 0.00 0.37 -4.51 107.32 112.19 3dwz s GLY 60 Ca -0.08 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 43.83 3dwz s GLY 60 CO 0.05 -0.50 -0.03 0.14 0.00 0.00 0.00 173.10 172.77 3dwz s VAL 61 N -0.10 0.33 -0.02 1.40 1.01 0.00 -0.70 120.40 122.32 3dwz s VAL 61 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 3dwz s VAL 61 Cb -0.11 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 35.92 3dwz s VAL 61 CO 0.02 0.15 0.04 -0.47 0.00 0.00 0.00 175.10 174.85 3dwz s TYR 62 N 0.62 -0.02 -0.16 5.22 5.04 -0.25 -1.17 117.35 126.64 3dwz s TYR 62 Ca -0.07 0.16 -0.00 0.00 -2.44 0.00 0.00 57.07 54.72 3dwz s TYR 62 Cb -0.10 -0.13 0.04 0.00 0.35 0.00 0.00 41.96 42.12 3dwz s TYR 62 CO -0.01 -0.07 -0.07 0.08 -1.34 0.00 0.00 175.55 174.14 3dwz s VAL 63 N 0.71 1.15 0.64 3.14 1.01 0.09 -1.18 120.40 125.96 3dwz s VAL 63 Ca -0.06 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 3dwz s VAL 63 Cb -0.08 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 3dwz s VAL 63 CO -0.02 0.20 1.24 -2.65 0.00 0.00 0.00 175.10 173.87 3dwz n PRO 64 N 4.87 1.10 -1.74 2.72 -0.02 -1.25 -1.02 135.00 139.65 3dwz n PRO 64 Ca -0.12 0.43 -0.36 0.00 -2.02 0.00 0.00 63.50 61.42 3dwz n PRO 64 Cb 0.48 -2.47 0.07 0.00 -0.02 0.00 0.00 33.50 31.55 3dwz n PRO 64 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dwz s ALA 65 N -1.40 2.36 0.00 3.55 0.00 -1.26 -4.62 121.76 120.38 3dwz s ALA 65 Ca 0.81 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.86 3dwz s ALA 65 Cb -0.39 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.23 3dwz s ALA 65 CO 0.42 -1.55 0.00 0.25 0.00 0.00 0.00 175.76 174.87 3dwz n THR 66 N -2.02 0.00 0.27 0.00 -2.24 -0.63 -4.92 114.28 104.75 3dwz n THR 66 Ca 0.15 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.81 3dwz n THR 66 Cb 0.49 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 3dwz n THR 66 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3dwz h GLY 67 N 0.00 -0.83 -0.14 3.38 0.00 -1.97 -3.34 103.07 100.16 3dwz h GLY 67 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3dwz h GLY 67 CO 0.00 -0.29 -0.07 -1.30 0.00 0.00 0.00 176.54 174.88 3dwz n THR 68 N -4.04 0.91 -4.74 4.70 -2.24 -1.26 -4.96 114.28 102.65 3dwz n THR 68 Ca -0.09 -1.02 -0.33 0.00 -2.27 0.00 0.00 64.05 60.34 3dwz n THR 68 Cb 0.29 0.39 -0.13 0.00 -2.10 0.00 0.00 70.33 68.78 3dwz n THR 68 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3dwz s THR 69 N -1.18 3.28 0.61 4.28 -4.23 -1.26 -5.12 115.64 112.02 3dwz s THR 69 Ca 0.09 -0.61 -0.16 0.00 -1.18 0.00 0.00 61.69 59.83 3dwz s THR 69 Cb 0.08 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 3dwz s THR 69 CO 0.01 0.56 1.08 0.00 -0.54 0.00 0.00 174.62 175.73 3dwz s ALA 70 N -0.25 2.64 0.42 3.99 0.00 -1.26 -1.60 121.76 125.70 3dwz s ALA 70 Ca 0.02 0.50 -0.25 0.00 0.00 0.00 0.00 51.96 52.23 3dwz s ALA 70 Cb -0.13 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 3dwz s ALA 70 CO 0.03 -0.95 1.22 0.00 0.00 0.00 0.00 175.76 176.05 3dwz n ALA 71 N -2.05 1.05 -2.85 0.00 0.00 -1.26 -4.61 120.51 110.80 3dwz n ALA 71 Ca 0.10 0.26 -0.35 0.00 0.00 0.00 0.00 53.44 53.44 3dwz n ALA 71 Cb 0.52 -2.23 -0.10 0.00 0.00 0.00 0.00 19.45 17.64 3dwz n ALA 71 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3dwz s ILE 72 N -1.21 4.72 -0.09 0.00 1.01 -0.19 -4.92 121.20 120.52 3dwz s ILE 72 Ca 0.61 -0.05 -0.04 0.00 0.00 0.00 0.00 60.65 61.17 3dwz s ILE 72 Cb -0.52 -3.15 0.04 0.00 0.01 0.00 0.00 42.46 38.84 3dwz s ILE 72 CO 0.58 0.42 0.20 -1.83 0.00 0.00 0.00 174.94 174.31 3dwz s GLU 73 N 0.74 0.15 -0.09 2.79 -1.05 -1.26 -0.73 118.70 119.26 3dwz s GLU 73 Ca 0.04 0.47 -0.03 0.00 -0.15 0.00 0.00 54.97 55.30 3dwz s GLU 73 Cb -0.13 -0.15 0.04 0.00 -0.44 0.00 0.00 34.13 33.45 3dwz s GLU 73 CO 0.02 -0.17 0.11 -0.47 0.95 0.00 0.00 175.26 175.69 3dwz s TYR 74 N 1.30 -0.01 -0.96 4.83 6.14 -0.31 -4.80 117.35 123.54 3dwz s TYR 74 Ca -0.08 0.27 -0.03 0.00 0.64 0.00 0.00 57.07 57.87 3dwz s TYR 74 Cb -0.11 -0.44 0.02 0.00 0.42 0.00 0.00 41.96 41.85 3dwz s TYR 74 CO -0.07 -0.29 0.13 0.54 0.64 0.00 0.00 175.55 176.49 3dwz n ARG 75 N 5.31 -2.64 0.20 4.97 1.74 -1.26 -0.82 116.66 124.16 3dwz n ARG 75 Ca -0.04 0.47 0.15 0.00 -0.77 0.00 0.00 57.85 57.66 3dwz n ARG 75 Cb 0.50 -5.09 0.55 0.00 -1.02 0.00 0.00 32.46 27.40 3dwz n ARG 75 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dwz h ALA 76 N 0.99 1.00 -0.26 7.54 0.00 -1.87 -2.03 119.26 124.63 3dwz h ALA 76 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3dwz h ALA 76 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3dwz h ALA 76 CO 0.34 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.34 3dwz n ASP 77 N -2.70 2.77 -4.78 0.00 8.00 -1.26 -1.35 116.55 117.22 3dwz n ASP 77 Ca 0.02 -1.82 -0.37 0.00 0.71 0.00 0.00 54.79 53.33 3dwz n ASP 77 Cb 0.30 -0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 41.18 3dwz n ASP 77 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3dwz s GLU 78 N -1.09 4.39 0.17 -1.24 2.02 -0.77 -4.97 118.70 117.22 3dwz s GLU 78 Ca 0.24 1.43 -0.30 0.00 0.02 0.00 0.00 54.97 56.36 3dwz s GLU 78 Cb 0.14 -2.69 -0.07 0.00 0.10 0.00 0.00 34.13 31.61 3dwz s GLU 78 CO 0.19 0.08 1.08 1.03 0.02 0.00 0.00 175.26 177.67 3dwz s ARG 79 N -2.25 4.61 0.04 1.61 0.52 -1.26 -4.26 118.95 117.95 3dwz s ARG 79 Ca 0.54 1.68 0.04 0.00 -0.52 0.00 0.00 55.73 57.48 3dwz s ARG 79 Cb -0.21 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 31.95 3dwz s ARG 79 CO 0.26 0.10 -0.13 -0.06 0.02 0.00 0.00 175.30 175.49 3dwz s PHE 80 N -0.23 1.14 0.27 -0.53 0.40 -0.14 -4.94 117.98 113.95 3dwz s PHE 80 Ca 0.49 -0.37 -0.30 0.00 -0.60 0.00 0.00 56.93 56.15 3dwz s PHE 80 Cb -0.29 -0.67 -0.14 0.00 0.51 0.00 0.00 43.02 42.43 3dwz s PHE 80 CO 0.34 0.03 1.27 0.00 0.70 0.00 0.00 175.22 177.56 3dwz n ALA 81 N 1.83 0.66 -0.28 5.36 0.00 -1.26 -1.22 120.51 125.59 3dwz n ALA 81 Ca -0.19 0.40 0.01 0.00 0.00 0.00 0.00 53.44 53.67 3dwz n ALA 81 Cb 0.55 -2.19 0.14 0.00 0.00 0.00 0.00 19.45 17.95 3dwz n ALA 81 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3dwz h PHE 82 N 3.27 0.81 0.00 0.00 -1.00 -1.48 -3.44 116.94 115.10 3dwz h PHE 82 Ca -0.44 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.37 3dwz h PHE 82 Cb 1.30 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 40.61 3dwz h PHE 82 CO 0.53 0.35 0.00 0.00 -1.61 0.00 0.00 178.31 177.58 3dwz n SER 84 N -1.95 0.00 0.30 0.00 7.64 -1.26 -3.49 113.62 114.85 3dwz n SER 84 Ca 0.00 -0.49 0.20 0.00 1.01 0.00 0.00 58.87 59.59 3dwz n SER 84 Cb 0.00 -0.16 1.02 0.00 -1.01 0.00 0.00 64.21 64.05 3dwz n SER 84 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3dwz h THR 85 N 0.00 0.00 -0.00 0.44 1.35 -1.26 -1.39 112.91 112.04 3dwz h THR 85 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3dwz h THR 85 Cb 0.16 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 67.59 3dwz h THR 85 CO 0.00 0.00 0.01 2.19 -0.25 0.00 0.00 175.52 177.47 3dwz h PHE 86 N 0.00 0.00 0.00 4.73 -5.15 -1.75 -2.79 116.94 111.98 3dwz h PHE 86 Ca 0.00 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.73 3dwz h PHE 86 Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.26 3dwz h PHE 86 CO 0.00 0.00 -0.19 0.87 -2.00 0.00 0.00 178.31 176.99 3dwz h LYS 87 N 0.00 0.00 0.66 6.09 1.57 -1.54 -0.71 116.57 122.64 3dwz h LYS 87 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3dwz h LYS 87 Cb 0.03 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.34 3dwz h LYS 87 CO -0.00 0.19 -0.32 0.00 -0.57 0.00 0.00 179.45 178.75 3dwz h ALA 88 N 1.81 -1.03 -0.09 3.86 0.00 -1.70 -1.86 119.26 120.25 3dwz h ALA 88 Ca -0.00 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3dwz h ALA 88 Cb 0.46 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3dwz h ALA 88 CO 0.02 -0.96 0.08 -1.00 0.00 0.00 0.00 179.25 177.39 3dwz h PRO 89 N -1.06 0.00 -0.21 0.00 0.13 -1.73 -2.29 132.00 126.84 3dwz h PRO 89 Ca -0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 3dwz h PRO 89 Cb 0.68 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 3dwz h PRO 89 CO 0.15 0.00 0.13 1.25 -0.23 0.00 0.00 178.00 179.30 3dwz h LEU 90 N 0.00 0.25 -0.74 1.56 5.85 -1.06 0.32 115.31 121.49 3dwz h LEU 90 Ca 0.04 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3dwz h LEU 90 Cb 0.19 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3dwz h LEU 90 CO -0.00 0.21 0.41 0.58 -0.34 0.00 0.00 178.44 179.30 3dwz h VAL 91 N 0.26 1.23 -0.68 1.05 2.07 -0.95 -0.83 116.25 118.40 3dwz h VAL 91 Ca 0.08 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.07 3dwz h VAL 91 Cb 0.01 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 29.97 3dwz h VAL 91 CO -0.01 0.25 0.41 0.00 0.02 0.00 0.00 177.57 178.24 3dwz h ALA 92 N 1.21 0.89 0.01 1.67 0.00 -1.13 0.42 119.26 122.33 3dwz h ALA 92 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3dwz h ALA 92 Cb 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3dwz h ALA 92 CO -0.04 0.16 -0.03 0.00 0.00 0.00 0.00 179.25 179.34 3dwz h ALA 93 N 1.30 -0.04 -0.32 0.00 0.00 -0.31 0.64 119.26 120.53 3dwz h ALA 93 Ca 0.28 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3dwz h ALA 93 Cb 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3dwz h ALA 93 CO -0.12 -0.53 0.18 0.28 0.00 0.00 0.00 179.25 179.06 3dwz h VAL 94 N -0.06 1.12 -0.26 0.00 2.07 -0.95 -1.14 116.25 117.05 3dwz h VAL 94 Ca 0.01 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.26 3dwz h VAL 94 Cb 0.06 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3dwz h VAL 94 CO -0.02 0.12 0.04 -0.07 0.02 0.00 0.00 177.57 177.67 3dwz h LEU 95 N 0.40 -0.00 -1.05 2.57 3.38 -0.74 -2.86 115.31 117.01 3dwz h LEU 95 Ca 0.11 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3dwz h LEU 95 Cb 0.03 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3dwz h LEU 95 CO -0.02 0.03 0.47 -0.74 0.09 0.00 0.00 178.44 178.28 3dwz h HIS 96 N 0.14 1.11 0.00 1.13 2.76 -0.67 -3.01 115.15 116.60 3dwz h HIS 96 Ca 0.12 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 3dwz h HIS 96 Cb 0.12 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 28.72 3dwz h HIS 96 CO -0.16 0.75 0.00 0.37 -1.30 0.00 0.00 177.93 177.59 3dwz h GLN 97 N 1.14 0.00 -4.94 5.26 5.75 -0.98 -3.46 115.11 117.88 3dwz h GLN 97 Ca 0.29 0.00 -0.31 0.00 -0.15 0.00 0.00 58.65 58.49 3dwz h GLN 97 Cb -0.01 0.00 -0.16 0.00 1.07 0.00 0.00 27.48 28.38 3dwz h GLN 97 CO -0.05 0.00 -0.72 -0.80 -2.65 0.00 0.00 178.83 174.61 3dwz s ASN 98 N -5.49 1.50 0.67 -0.69 0.01 -1.14 -5.10 114.94 104.71 3dwz s ASN 98 Ca 0.04 -0.90 -0.17 0.00 -0.71 0.00 0.00 52.86 51.11 3dwz s ASN 98 Cb 0.08 0.02 -0.01 0.00 0.41 0.00 0.00 41.25 41.75 3dwz s ASN 98 CO 0.55 -0.32 1.02 -2.65 -1.51 0.00 0.00 177.10 174.20 3dwz n PRO 99 N 0.23 0.72 -0.25 -0.60 -0.02 -1.26 -4.87 135.00 128.96 3dwz n PRO 99 Ca -0.14 0.30 0.11 0.00 -2.02 0.00 0.00 63.50 61.75 3dwz n PRO 99 Cb 0.59 -2.26 0.38 0.00 -0.02 0.00 0.00 33.50 32.19 3dwz n PRO 99 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3dwz h LEU 100 N 0.10 0.65 0.00 2.45 6.46 -1.98 -1.14 115.31 121.85 3dwz h LEU 100 Ca -0.48 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.31 3dwz h LEU 100 Cb 1.35 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.18 3dwz h LEU 100 CO 0.49 0.35 0.00 0.35 -0.62 0.00 0.00 178.44 179.01 3dwz n THR 101 N -4.54 0.00 0.29 1.05 -2.24 -1.26 -2.15 114.28 105.43 3dwz n THR 101 Ca 0.16 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.12 3dwz n THR 101 Cb 0.42 -0.59 0.98 0.00 -2.10 0.00 0.00 70.33 69.04 3dwz n THR 101 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3dwz h HIS 102 N 0.00 0.00 -0.04 4.78 -0.00 -1.55 -2.17 115.15 116.18 3dwz h HIS 102 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.38 3dwz h HIS 102 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3dwz h HIS 102 CO 0.00 0.00 0.07 -0.07 -0.00 0.00 0.00 177.93 177.93 3dwz h LEU 103 N 0.00 0.00 -0.54 0.26 3.38 -1.64 -2.09 115.31 114.68 3dwz h LEU 103 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3dwz h LEU 103 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3dwz h LEU 103 CO -0.00 0.00 -0.31 0.47 0.09 0.00 0.00 178.44 178.69 3dwz n ASP 104 N -3.44 1.15 -4.69 -0.43 8.00 -0.81 -0.67 116.55 115.65 3dwz n ASP 104 Ca -0.02 -0.95 -0.42 0.00 0.71 0.00 0.00 54.79 54.10 3dwz n ASP 104 Cb 0.15 0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.43 3dwz n ASP 104 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3dwz s LYS 105 N -2.53 4.25 -0.02 -1.24 2.20 -0.79 -4.83 119.74 116.79 3dwz s LYS 105 Ca 0.23 2.11 -0.30 0.00 -0.36 0.00 0.00 55.97 57.64 3dwz s LYS 105 Cb 0.19 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 3dwz s LYS 105 CO 0.54 -0.63 1.15 -1.17 -0.36 0.00 0.00 175.35 174.88 3dwz s LEU 106 N 2.44 4.32 -0.16 5.43 2.96 -1.26 -1.12 118.68 131.29 3dwz s LEU 106 Ca 0.68 1.83 -0.04 0.00 -0.22 0.00 0.00 54.13 56.37 3dwz s LEU 106 Cb -0.35 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.75 3dwz s LEU 106 CO 0.29 -0.48 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.18 3dwz s ILE 107 N 1.65 3.96 0.15 6.68 -1.09 0.14 -4.94 121.20 127.73 3dwz s ILE 107 Ca 0.55 -0.33 0.05 0.00 -2.23 0.00 0.00 60.65 58.69 3dwz s ILE 107 Cb -0.25 -2.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.85 3dwz s ILE 107 CO 0.25 0.48 0.09 0.42 -1.23 0.00 0.00 174.94 174.95 3dwz s THR 108 N 0.46 4.31 0.30 2.92 -4.23 -1.26 -0.94 115.64 117.20 3dwz s THR 108 Ca -0.03 -1.09 -0.19 0.00 -1.18 0.00 0.00 61.69 59.21 3dwz s THR 108 Cb -0.14 -3.16 0.02 0.00 1.34 0.00 0.00 72.50 70.56 3dwz s THR 108 CO 0.03 -0.05 0.70 -0.72 -0.54 0.00 0.00 174.62 174.04 3dwz s TYR 109 N -1.65 -0.05 0.19 3.99 -0.85 -1.26 -5.02 117.35 112.70 3dwz s TYR 109 Ca 0.30 -0.44 0.04 0.00 -0.52 0.00 0.00 57.07 56.45 3dwz s TYR 109 Cb -0.10 0.66 -0.01 0.00 0.38 0.00 0.00 41.96 42.89 3dwz s TYR 109 CO 0.22 -1.27 0.14 0.25 -1.52 0.00 0.00 175.55 173.36 3dwz n THR 110 N -0.47 0.00 -0.27 -3.49 -2.24 -1.26 -4.82 114.28 101.72 3dwz n THR 110 Ca -0.04 -1.33 0.05 0.00 -2.27 0.00 0.00 64.05 60.46 3dwz n THR 110 Cb 0.60 0.63 0.19 0.00 -2.10 0.00 0.00 70.33 69.65 3dwz n THR 110 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3dwz h SER 111 N 1.08 0.46 0.05 3.42 0.02 -1.97 -1.42 113.55 115.19 3dwz h SER 111 Ca -0.14 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3dwz h SER 111 Cb 0.66 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.22 3dwz h SER 111 CO 0.20 0.21 0.00 -0.90 -1.14 0.00 0.00 176.83 175.21 3dwz n ASP 112 N -4.89 0.00 0.02 3.07 5.68 -1.26 -2.23 116.55 116.94 3dwz n ASP 112 Ca 0.15 -0.82 0.12 0.00 -0.50 0.00 0.00 54.79 53.73 3dwz n ASP 112 Cb 0.38 -0.03 0.20 0.00 -1.14 0.00 0.00 41.12 40.54 3dwz n ASP 112 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3dwz n ASP 113 N -1.03 0.57 -4.38 -1.12 8.00 -0.54 -4.74 116.55 113.32 3dwz n ASP 113 Ca 0.21 -0.10 -0.45 0.00 0.71 0.00 0.00 54.79 55.17 3dwz n ASP 113 Cb 0.11 0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 41.42 3dwz n ASP 113 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3dwz s ILE 114 N -3.08 4.88 0.00 0.53 1.01 -0.95 -4.77 121.20 118.82 3dwz s ILE 114 Ca 0.09 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.75 3dwz s ILE 114 Cb 0.16 -4.44 0.00 0.00 0.01 0.00 0.00 42.46 38.18 3dwz s ILE 114 CO 0.71 -1.05 0.55 0.54 0.00 0.00 0.00 174.94 175.70 3dwz n ARG 115 N 6.17 0.68 -3.84 2.79 1.74 -1.26 -5.06 116.66 117.88 3dwz n ARG 115 Ca -0.10 -0.70 -0.07 0.00 -0.77 0.00 0.00 57.85 56.22 3dwz n ARG 115 Cb 0.43 -0.76 -0.01 0.00 -1.02 0.00 0.00 32.46 31.09 3dwz n ARG 115 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3dwz s SER 116 N -0.30 -0.22 -0.00 0.55 1.04 -1.26 -4.29 113.70 109.21 3dwz s SER 116 Ca 0.00 -0.64 -0.35 0.00 0.48 0.00 0.00 55.95 55.45 3dwz s SER 116 Cb 0.00 0.71 -0.13 0.00 0.10 0.00 0.00 66.02 66.70 3dwz s SER 116 CO 0.00 -1.32 1.72 -0.38 0.98 0.00 0.00 173.24 174.24 3dwz n ILE 117 N -0.47 0.31 -2.92 -1.02 5.41 -1.26 -4.65 119.36 114.75 3dwz n ILE 117 Ca -0.05 -0.05 -0.14 0.00 1.00 0.00 0.00 62.75 63.51 3dwz n ILE 117 Cb 0.59 -1.62 0.01 0.00 -0.71 0.00 0.00 39.64 37.91 3dwz n ILE 117 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3dwz n SER 118 N 5.07 -1.62 0.16 4.38 7.64 -1.26 -0.42 113.62 127.56 3dwz n SER 118 Ca 0.21 -3.13 0.07 0.00 1.01 0.00 0.00 58.87 57.03 3dwz n SER 118 Cb 0.27 0.89 0.57 0.00 -1.01 0.00 0.00 64.21 64.93 3dwz n SER 118 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3dwz h PRO 119 N 3.85 0.19 0.00 1.43 0.11 -1.91 -1.35 132.00 134.32 3dwz h PRO 119 Ca -0.06 -0.01 -0.31 0.00 0.11 0.00 0.00 66.00 65.73 3dwz h PRO 119 Cb 0.98 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.01 3dwz h PRO 119 CO 0.36 0.12 -1.76 0.28 -0.21 0.00 0.00 178.00 176.80 3dwz n VAL 120 N -4.51 1.52 0.12 3.15 0.31 -1.26 -4.30 118.33 113.36 3dwz n VAL 120 Ca -0.00 -0.16 0.06 0.00 -0.01 0.00 0.00 64.34 64.23 3dwz n VAL 120 Cb 0.10 -2.01 0.52 0.00 -0.91 0.00 0.00 33.84 31.54 3dwz n VAL 120 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dwz h ALA 121 N -0.77 1.83 -0.07 3.52 0.00 -1.95 -0.76 119.26 121.05 3dwz h ALA 121 Ca -0.46 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3dwz h ALA 121 Cb 1.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3dwz h ALA 121 CO -0.28 0.15 -0.11 -0.56 0.00 0.00 0.00 179.25 178.45 3dwz h GLN 122 N 0.29 0.10 0.00 0.00 -0.00 -1.46 -2.34 115.11 111.70 3dwz h GLN 122 Ca 0.08 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.71 3dwz h GLN 122 Cb -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 27.45 3dwz h GLN 122 CO -0.01 0.22 0.00 1.96 -0.00 0.00 0.00 178.83 181.00 3dwz h GLN 123 N 0.10 0.00 0.00 0.06 4.20 -1.33 -3.35 115.11 114.80 3dwz h GLN 123 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3dwz h GLN 123 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3dwz h GLN 123 CO 0.02 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.90 3dwz n HIS 124 N -2.59 0.00 0.25 2.96 8.25 -0.91 -4.70 115.22 118.48 3dwz n HIS 124 Ca 0.04 -0.23 0.12 0.00 -0.26 0.00 0.00 57.72 57.39 3dwz n HIS 124 Cb 0.43 -0.02 0.67 0.00 1.12 0.00 0.00 29.99 32.18 3dwz n HIS 124 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3dwz h VAL 125 N 0.12 0.60 0.00 1.59 3.04 -1.61 -0.66 116.25 119.32 3dwz h VAL 125 Ca 0.00 -0.66 -0.06 0.00 -1.01 0.00 0.00 66.70 64.97 3dwz h VAL 125 Cb 0.28 1.43 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 3dwz h VAL 125 CO 0.00 0.14 -0.35 1.56 -1.01 0.00 0.00 177.57 177.92 3dwz h GLN 126 N 0.00 0.00 0.00 4.17 4.20 -1.88 -3.36 115.11 118.25 3dwz h GLN 126 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dwz h GLN 126 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3dwz h GLN 126 CO 0.02 0.29 -1.35 0.25 -0.67 0.00 0.00 178.83 177.37 3dwz n THR 127 N -3.15 0.00 0.00 -0.54 -2.24 -0.76 -5.12 114.28 102.47 3dwz n THR 127 Ca 0.02 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3dwz n THR 127 Cb 0.66 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 3dwz n THR 127 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dwz n GLY 128 N 1.93 -0.18 2.91 3.38 0.00 -0.33 -4.97 105.19 107.93 3dwz n GLY 128 Ca -0.01 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 3dwz n GLY 128 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dwz s MET 129 N -1.82 0.11 0.73 1.61 -1.94 -0.11 -4.83 119.30 113.05 3dwz s MET 129 Ca 0.00 -0.19 -0.11 0.00 -1.71 0.00 0.00 55.69 53.67 3dwz s MET 129 Cb 0.00 0.04 0.03 0.00 2.01 0.00 0.00 34.83 36.91 3dwz s MET 129 CO 0.00 -0.02 1.08 0.95 -0.01 0.00 0.00 175.02 177.02 3dwz s THR 130 N -0.48 3.62 0.27 2.05 -4.23 -1.26 0.24 115.64 115.86 3dwz s THR 130 Ca -0.05 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 3dwz s THR 130 Cb -0.03 -3.32 0.27 0.00 1.34 0.00 0.00 72.50 70.76 3dwz s THR 130 CO -0.00 -0.69 1.84 0.40 -0.54 0.00 0.00 174.62 175.63 3dwz h ILE 131 N -0.83 0.94 -0.31 2.99 1.08 -1.02 0.17 117.51 120.53 3dwz h ILE 131 Ca -0.45 -0.34 -0.01 0.00 -0.39 0.00 0.00 64.86 63.67 3dwz h ILE 131 Cb 1.24 -0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.83 3dwz h ILE 131 CO 0.59 0.18 0.17 1.23 -0.69 0.00 0.00 178.15 179.63 3dwz h GLY 132 N 0.99 0.45 0.91 5.37 0.00 -1.17 0.65 103.07 110.28 3dwz h GLY 132 Ca 0.48 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.64 3dwz h GLY 132 CO -0.25 0.20 0.65 1.46 0.00 0.00 0.00 176.54 178.59 3dwz h GLN 133 N 0.38 1.21 -0.25 4.80 4.20 -1.59 -1.08 115.11 122.78 3dwz h GLN 133 Ca 0.11 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3dwz h GLN 133 Cb 0.05 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 3dwz h GLN 133 CO -0.02 0.80 -0.00 -0.07 -0.67 0.00 0.00 178.83 178.87 3dwz h LEU 134 N 1.25 0.44 -0.51 1.46 3.38 -0.36 -1.12 115.31 119.85 3dwz h LEU 134 Ca 0.39 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3dwz h LEU 134 Cb -0.01 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3dwz h LEU 134 CO -0.12 0.65 0.25 0.00 0.09 0.00 0.00 178.44 179.30 3dwz h ASP 136 N 0.48 -0.64 -0.57 0.00 1.82 -1.05 -1.76 116.42 114.69 3dwz h ASP 136 Ca 0.23 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.92 3dwz h ASP 136 Cb 0.16 0.22 -0.03 0.00 0.68 0.00 0.00 39.33 40.37 3dwz h ASP 136 CO -0.18 -0.34 0.31 0.00 -1.61 0.00 0.00 179.24 177.42 3dwz h ALA 137 N 0.20 0.73 -0.57 -0.78 0.00 -1.07 0.29 119.26 118.06 3dwz h ALA 137 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3dwz h ALA 137 Cb 0.47 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3dwz h ALA 137 CO -0.07 0.26 0.36 0.00 0.00 0.00 0.00 179.25 179.80 3dwz h ALA 138 N 1.14 0.73 0.04 0.00 0.00 -0.81 -1.37 119.26 118.98 3dwz h ALA 138 Ca 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3dwz h ALA 138 Cb 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3dwz h ALA 138 CO -0.03 0.11 -0.02 0.82 0.00 0.00 0.00 179.25 180.13 3dwz h ILE 139 N 0.72 1.13 0.00 0.00 2.04 -1.16 -2.93 117.51 117.31 3dwz h ILE 139 Ca 0.22 -1.69 -0.17 0.00 1.00 0.00 0.00 64.86 64.23 3dwz h ILE 139 Cb -0.03 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 3dwz h ILE 139 CO -0.08 0.36 -0.79 0.03 0.00 0.00 0.00 178.15 177.68 3dwz h ARG 140 N -0.94 0.00 -0.03 2.37 3.08 -0.47 -3.30 114.38 115.09 3dwz h ARG 140 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3dwz h ARG 140 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3dwz h ARG 140 CO 0.01 0.79 0.00 0.66 -1.07 0.00 0.00 179.97 180.36 3dwz n TYR 141 N -3.36 0.03 -3.86 3.04 4.02 -0.63 -1.84 117.16 114.57 3dwz n TYR 141 Ca 0.00 -0.17 -0.24 0.00 -0.01 0.00 0.00 57.90 57.48 3dwz n TYR 141 Cb 0.83 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 40.14 3dwz n TYR 141 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3dwz n SER 142 N -0.01 -0.88 -4.69 7.72 2.88 -0.80 -4.77 113.62 113.06 3dwz n SER 142 Ca 0.02 -0.92 -0.42 0.00 -1.33 0.00 0.00 58.87 56.21 3dwz n SER 142 Cb 0.14 -3.48 -0.03 0.00 -0.75 0.00 0.00 64.21 60.09 3dwz n SER 142 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3dwz s ASP 143 N -4.30 6.97 0.01 -3.46 -1.08 -0.61 -4.84 116.67 109.35 3dwz s ASP 143 Ca 0.05 1.97 -0.19 0.00 -0.52 0.00 0.00 52.55 53.85 3dwz s ASP 143 Cb -0.02 -2.56 -0.25 0.00 -1.46 0.00 0.00 42.92 38.62 3dwz s ASP 143 CO 0.86 -0.63 1.07 1.23 0.52 0.00 0.00 175.17 178.22 3dwz h GLY 144 N 8.08 0.48 0.98 2.66 0.00 -1.03 -2.74 103.07 111.50 3dwz h GLY 144 Ca -0.37 -0.91 0.01 0.00 0.00 0.00 0.00 47.33 46.06 3dwz h GLY 144 CO 0.88 0.81 0.52 -0.84 0.00 0.00 0.00 176.54 177.91 3dwz h THR 145 N -0.08 1.19 -0.80 4.70 2.02 -1.83 -0.39 112.91 117.72 3dwz h THR 145 Ca -0.10 -0.36 0.05 0.00 0.77 0.00 0.00 66.41 66.77 3dwz h THR 145 Cb 1.45 0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.84 3dwz h THR 145 CO 0.14 0.19 0.49 0.00 0.37 0.00 0.00 175.52 176.72 3dwz h ALA 146 N 1.30 1.08 -0.49 6.16 0.00 -1.89 -0.06 119.26 125.37 3dwz h ALA 146 Ca 0.30 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 3dwz h ALA 146 Cb -0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3dwz h ALA 146 CO -0.07 0.24 -0.05 0.00 0.00 0.00 0.00 179.25 179.37 3dwz h ALA 147 N 1.37 0.67 -0.75 0.00 0.00 -1.11 -0.48 119.26 118.95 3dwz h ALA 147 Ca 0.34 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3dwz h ALA 147 Cb 0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3dwz h ALA 147 CO -0.16 0.52 0.45 -0.91 0.00 0.00 0.00 179.25 179.15 3dwz h ASN 148 N 0.75 0.90 -0.01 0.00 2.35 -0.57 -0.21 115.58 118.81 3dwz h ASN 148 Ca 0.13 -0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 3dwz h ASN 148 Cb 0.58 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3dwz h ASN 148 CO 0.03 0.71 -0.27 -0.07 -1.65 0.00 0.00 177.43 176.19 3dwz h LEU 149 N 1.02 0.43 -0.31 1.61 3.38 -0.79 -1.75 115.31 118.91 3dwz h LEU 149 Ca 0.27 -0.15 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 3dwz h LEU 149 Cb -0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3dwz h LEU 149 CO -0.05 0.69 -0.50 -0.07 0.09 0.00 0.00 178.44 178.60 3dwz h LEU 150 N 0.38 0.97 -0.30 1.67 3.38 -0.66 -0.61 115.31 120.13 3dwz h LEU 150 Ca 0.05 -0.52 0.05 0.00 0.09 0.00 0.00 57.88 57.56 3dwz h LEU 150 Cb 0.67 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 3dwz h LEU 150 CO 0.05 1.30 0.01 -0.07 0.09 0.00 0.00 178.44 179.83 3dwz h LEU 151 N 0.67 -0.09 -1.46 1.67 3.38 -0.86 -0.54 115.31 118.08 3dwz h LEU 151 Ca 0.02 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3dwz h LEU 151 Cb 1.11 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 3dwz h LEU 151 CO 0.11 -0.01 0.37 0.00 0.09 0.00 0.00 178.44 179.00 3dwz h ALA 152 N 1.25 1.62 -0.42 1.53 0.00 -1.11 -0.25 119.26 121.88 3dwz h ALA 152 Ca 0.14 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3dwz h ALA 152 Cb 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3dwz h ALA 152 CO -0.23 0.35 -0.02 0.22 0.00 0.00 0.00 179.25 179.57 3dwz h ASP 153 N 0.74 0.75 -0.63 0.00 3.58 -0.56 -2.81 116.42 117.49 3dwz h ASP 153 Ca 0.21 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 57.34 3dwz h ASP 153 Cb -0.07 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.75 3dwz h ASP 153 CO -0.05 0.89 0.41 0.25 -2.88 0.00 0.00 179.24 177.86 3dwz h LEU 154 N 0.59 0.74 0.00 2.28 5.85 -0.57 -3.48 115.31 120.72 3dwz h LEU 154 Ca 0.12 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3dwz h LEU 154 Cb 0.51 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3dwz h LEU 154 CO 0.03 0.55 0.00 0.61 -0.34 0.00 0.00 178.44 179.28 3dwz n GLY 155 N -1.23 -2.22 1.97 3.75 0.00 -0.16 -4.99 105.19 102.31 3dwz n GLY 155 Ca 0.05 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3dwz n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwz n GLY 156 N -0.30 -2.49 3.59 -0.02 0.00 -1.26 -3.64 105.19 101.07 3dwz n GLY 156 Ca 0.00 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 3dwz n GLY 156 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dwz n PRO 157 N -0.49 0.41 -2.20 1.61 -0.02 -1.26 -2.67 135.00 130.37 3dwz n PRO 157 Ca 0.00 0.19 -0.16 0.00 -2.02 0.00 0.00 63.50 61.51 3dwz n PRO 157 Cb 0.00 -2.16 -0.01 0.00 -0.02 0.00 0.00 33.50 31.31 3dwz n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dwz n GLY 158 N 1.15 -0.06 2.43 -1.23 0.00 -1.26 -2.44 105.19 103.78 3dwz n GLY 158 Ca 0.12 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 3dwz n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwz n GLY 159 N -1.02 0.11 0.00 -0.02 0.00 -1.20 -2.23 105.19 100.84 3dwz n GLY 159 Ca -0.19 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3dwz n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwz n GLY 160 N -0.89 0.76 0.24 -0.02 0.00 -1.02 -3.26 105.19 101.00 3dwz n GLY 160 Ca -0.23 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 3dwz n GLY 160 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dwz h THR 161 N 0.00 1.27 -0.36 2.61 1.35 -1.48 -0.49 112.91 115.81 3dwz h THR 161 Ca 0.00 -1.27 -0.09 0.00 -0.55 0.00 0.00 66.41 64.49 3dwz h THR 161 Cb 0.00 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 3dwz h THR 161 CO 0.00 0.41 -0.14 0.00 -0.25 0.00 0.00 175.52 175.54 3dwz h ALA 162 N 1.27 0.50 -0.41 6.62 0.00 -1.77 -1.29 119.26 124.18 3dwz h ALA 162 Ca 0.07 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 3dwz h ALA 162 Cb 0.67 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3dwz h ALA 162 CO 0.05 0.39 -0.12 0.00 0.00 0.00 0.00 179.25 179.57 3dwz h ALA 163 N 0.80 1.01 -0.18 0.00 0.00 -1.75 0.24 119.26 119.38 3dwz h ALA 163 Ca 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3dwz h ALA 163 Cb 0.67 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3dwz h ALA 163 CO 0.05 0.59 0.11 0.35 0.00 0.00 0.00 179.25 180.35 3dwz h PHE 164 N 0.67 0.22 -0.83 0.00 3.04 -0.93 0.72 116.94 119.83 3dwz h PHE 164 Ca 0.11 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 3dwz h PHE 164 Cb 0.59 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.99 3dwz h PHE 164 CO 0.03 0.13 0.47 1.15 -2.02 0.00 0.00 178.31 178.08 3dwz h THR 165 N 0.24 1.24 -0.78 4.41 2.02 -0.99 -2.07 112.91 116.97 3dwz h THR 165 Ca 0.07 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.69 3dwz h THR 165 Cb -0.02 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 66.45 3dwz h THR 165 CO -0.02 0.26 0.51 1.23 0.37 0.00 0.00 175.52 177.87 3dwz h GLY 166 N 1.15 1.09 0.96 2.16 0.00 -0.47 -0.63 103.07 107.33 3dwz h GLY 166 Ca 0.30 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 3dwz h GLY 166 CO -0.05 0.38 0.20 -1.82 0.00 0.00 0.00 176.54 175.25 3dwz h TYR 167 N 1.03 0.60 -0.82 5.60 5.03 -0.20 -1.83 116.97 126.39 3dwz h TYR 167 Ca 0.29 -0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.57 3dwz h TYR 167 Cb -0.09 -0.19 -0.04 0.00 1.55 0.00 0.00 36.73 37.97 3dwz h TYR 167 CO -0.00 0.49 0.51 -0.07 -1.32 0.00 0.00 178.16 177.77 3dwz h LEU 168 N 0.53 0.97 -1.50 2.82 3.38 -0.84 -2.25 115.31 118.42 3dwz h LEU 168 Ca 0.14 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3dwz h LEU 168 Cb 0.12 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3dwz h LEU 168 CO -0.02 0.73 0.35 0.03 0.09 0.00 0.00 178.44 179.62 3dwz h ARG 169 N 1.11 0.67 0.00 1.13 2.47 -0.83 -1.19 114.38 117.75 3dwz h ARG 169 Ca 0.29 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.95 3dwz h ARG 169 Cb -0.07 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.10 3dwz h ARG 169 CO -0.06 0.44 -0.11 0.66 0.56 0.00 0.00 179.97 181.46 3dwz h SER 170 N 0.69 0.00 -0.46 7.04 4.64 -0.73 -0.59 113.55 124.14 3dwz h SER 170 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3dwz h SER 170 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3dwz h SER 170 CO -0.04 0.11 0.00 0.18 -0.87 0.00 0.00 176.83 176.21 3dwz n LEU 171 N -3.44 3.32 0.00 5.97 4.77 -0.51 -4.93 117.00 122.18 3dwz n LEU 171 Ca -0.01 -1.67 0.00 0.00 -0.03 0.00 0.00 56.01 54.29 3dwz n LEU 171 Cb 0.28 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3dwz n LEU 171 CO 0.29 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 3dwz n GLY 172 N 0.95 0.50 3.48 -0.72 0.00 -0.23 -4.89 105.19 104.27 3dwz n GLY 172 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3dwz n GLY 172 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dwz s ASP 173 N -2.01 6.25 0.00 1.61 -1.08 -0.85 -4.88 116.67 115.72 3dwz s ASP 173 Ca 0.00 -0.72 0.19 0.00 -0.52 0.00 0.00 52.55 51.51 3dwz s ASP 173 Cb 0.00 -2.41 0.54 0.00 -1.46 0.00 0.00 42.92 39.60 3dwz s ASP 173 CO 0.00 -1.27 1.45 0.35 0.52 0.00 0.00 175.17 176.22 3dwz n THR 174 N 5.99 0.78 -0.08 1.71 -2.24 -1.26 -3.56 114.28 115.63 3dwz n THR 174 Ca -0.02 -0.81 -0.15 0.00 -2.27 0.00 0.00 64.05 60.80 3dwz n THR 174 Cb 0.46 0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 69.09 3dwz n THR 174 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3dwz n VAL 175 N 1.29 1.16 -1.51 2.28 0.31 -1.26 -5.04 118.33 115.56 3dwz n VAL 175 Ca 0.20 -0.09 -0.32 0.00 -0.01 0.00 0.00 64.34 64.12 3dwz n VAL 175 Cb 0.52 -1.88 0.07 0.00 -0.91 0.00 0.00 33.84 31.65 3dwz n VAL 175 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3dwz s SER 176 N -6.43 4.69 -0.17 4.52 0.01 -1.26 -4.90 113.70 110.16 3dwz s SER 176 Ca -0.24 2.00 -0.16 0.00 1.31 0.00 0.00 55.95 58.86 3dwz s SER 176 Cb 0.08 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.80 3dwz s SER 176 CO 0.32 -1.92 0.46 0.00 0.41 0.00 0.00 173.24 172.51 3dwz s ARG 177 N -4.34 0.54 -0.09 12.44 1.70 -0.51 -4.99 118.95 123.70 3dwz s ARG 177 Ca 0.66 0.65 0.03 0.00 -0.47 0.00 0.00 55.73 56.60 3dwz s ARG 177 Cb -0.21 0.25 -0.01 0.00 -0.57 0.00 0.00 34.95 34.41 3dwz s ARG 177 CO 0.47 -0.07 -0.18 -1.17 -1.08 0.00 0.00 175.30 173.27 3dwz s LEU 178 N 0.29 2.47 0.00 -1.89 2.96 -1.26 -2.20 118.68 119.06 3dwz s LEU 178 Ca -0.00 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 3dwz s LEU 178 Cb -0.03 -1.51 0.00 0.00 0.50 0.00 0.00 46.19 45.15 3dwz s LEU 178 CO 0.00 0.23 0.00 0.47 -1.32 0.00 0.00 176.35 175.73 3dwz n ASP 179 N 3.08 3.06 -4.06 3.68 9.92 -1.26 -4.55 116.55 126.42 3dwz n ASP 179 Ca -0.18 -0.06 -0.09 0.00 -0.53 0.00 0.00 54.79 53.94 3dwz n ASP 179 Cb 0.52 0.73 -0.09 0.00 -0.64 0.00 0.00 41.12 41.65 3dwz n ASP 179 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3dwz s ALA 180 N -1.35 0.46 0.09 2.24 0.00 -1.26 -5.01 121.76 116.93 3dwz s ALA 180 Ca 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.80 3dwz s ALA 180 Cb 0.00 0.59 0.01 0.00 0.00 0.00 0.00 23.12 23.72 3dwz s ALA 180 CO 0.00 -0.47 0.10 -0.85 0.00 0.00 0.00 175.76 174.55 3dwz n GLU 181 N -0.03 0.93 -2.41 0.00 0.28 -1.26 -4.56 120.64 113.60 3dwz n GLU 181 Ca -0.10 -0.39 -0.39 0.00 -0.16 0.00 0.00 57.16 56.12 3dwz n GLU 181 Cb 0.62 -0.03 -0.03 0.00 1.43 0.00 0.00 31.44 33.43 3dwz n GLU 181 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 3dwz s GLU 182 N -2.35 4.29 0.00 3.44 0.41 -1.26 -1.50 118.70 121.73 3dwz s GLU 182 Ca 0.08 1.76 0.27 0.00 -0.41 0.00 0.00 54.97 56.67 3dwz s GLU 182 Cb -0.01 -2.83 0.92 0.00 -1.78 0.00 0.00 34.13 30.43 3dwz s GLU 182 CO 0.05 -0.09 1.67 -0.35 -0.49 0.00 0.00 175.26 176.05 3dwz n PRO 183 N 0.44 0.81 0.23 0.39 -0.04 -1.26 -4.89 135.00 130.68 3dwz n PRO 183 Ca 0.02 -0.42 0.06 0.00 -0.04 0.00 0.00 63.50 63.13 3dwz n PRO 183 Cb 0.46 -1.49 0.55 0.00 -0.04 0.00 0.00 33.50 32.98 3dwz n PRO 183 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dwz h GLU 184 N 1.02 0.00 0.00 0.54 3.07 -1.67 -2.83 114.58 114.71 3dwz h GLU 184 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3dwz h GLU 184 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3dwz h GLU 184 CO 0.00 0.13 0.00 1.37 -1.40 0.00 0.00 179.01 179.11 3dwz h LEU 185 N 0.00 0.00 -0.60 1.33 8.10 -1.51 -2.08 115.31 120.55 3dwz h LEU 185 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3dwz h LEU 185 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.46 3dwz h LEU 185 CO 0.02 0.00 -0.08 0.59 -4.11 0.00 0.00 178.44 174.86 3dwz n ASN 186 N -2.96 1.02 -0.42 0.17 3.02 -1.07 -4.49 115.26 110.54 3dwz n ASN 186 Ca -0.01 -1.13 0.05 0.00 -0.03 0.00 0.00 54.58 53.46 3dwz n ASN 186 Cb 0.16 0.02 0.06 0.00 -0.61 0.00 0.00 39.78 39.41 3dwz n ASN 186 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3dwz n ARG 187 N -0.37 1.03 -2.05 3.52 1.74 -0.78 -3.35 116.66 116.41 3dwz n ARG 187 Ca 0.17 -1.31 -0.40 0.00 -0.77 0.00 0.00 57.85 55.55 3dwz n ARG 187 Cb 0.31 -1.19 -0.01 0.00 -1.02 0.00 0.00 32.46 30.55 3dwz n ARG 187 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dwz s ASP 188 N -0.84 6.34 0.77 0.55 1.01 -1.26 -4.95 116.67 118.30 3dwz s ASP 188 Ca 0.13 2.67 -0.13 0.00 0.71 0.00 0.00 52.55 55.93 3dwz s ASP 188 Cb 0.08 -2.64 0.06 0.00 1.01 0.00 0.00 42.92 41.43 3dwz s ASP 188 CO 0.12 -0.83 1.17 -2.84 0.21 0.00 0.00 175.17 173.00 3dwz s PRO 189 N -2.20 2.00 0.17 8.23 0.02 -1.26 -4.89 135.00 137.06 3dwz s PRO 189 Ca 0.56 1.59 -0.33 0.00 0.02 0.00 0.00 61.00 62.84 3dwz s PRO 189 Cb -0.39 -1.83 -0.15 0.00 0.02 0.00 0.00 34.50 32.15 3dwz s PRO 189 CO 0.50 -1.91 1.24 -2.30 -0.33 0.00 0.00 177.00 174.20 3dwz n PRO 190 N -3.10 1.32 0.00 5.54 -0.02 -1.26 -1.70 135.00 135.78 3dwz n PRO 190 Ca 0.12 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3dwz n PRO 190 Cb 0.51 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3dwz n PRO 190 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dwz n GLY 191 N 2.17 3.08 3.74 -1.23 0.00 -1.26 -5.03 105.19 106.67 3dwz n GLY 191 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3dwz n GLY 191 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dwz s ASP 192 N -0.49 6.73 0.08 1.61 -1.08 -0.69 -4.91 116.67 117.92 3dwz s ASP 192 Ca 0.00 2.58 0.27 0.00 -0.52 0.00 0.00 52.55 54.88 3dwz s ASP 192 Cb 0.00 -2.62 0.96 0.00 -1.46 0.00 0.00 42.92 39.80 3dwz s ASP 192 CO 0.00 -0.65 1.78 -0.62 0.52 0.00 0.00 175.17 176.21 3dwz n GLU 193 N 2.49 0.11 -1.85 4.34 1.02 -1.26 -4.84 120.64 120.65 3dwz n GLU 193 Ca 0.07 0.08 -0.41 0.00 -0.02 0.00 0.00 57.16 56.88 3dwz n GLU 193 Cb 0.41 -1.61 -0.00 0.00 -0.02 0.00 0.00 31.44 30.22 3dwz n GLU 193 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3dwz s ARG 194 N -3.04 4.05 -1.46 3.49 0.52 -1.26 -2.94 118.95 118.30 3dwz s ARG 194 Ca 0.12 2.49 -0.07 0.00 -0.52 0.00 0.00 55.73 57.75 3dwz s ARG 194 Cb 0.16 -2.91 0.02 0.00 0.52 0.00 0.00 34.95 32.74 3dwz s ARG 194 CO 0.58 -0.55 0.88 -0.25 0.02 0.00 0.00 175.30 175.99 3dwz n ASP 195 N 0.36 -6.08 -4.53 0.23 8.00 -1.13 -4.91 116.55 108.49 3dwz n ASP 195 Ca 0.02 -0.43 -0.25 0.00 0.71 0.00 0.00 54.79 54.84 3dwz n ASP 195 Cb 0.40 -4.85 -0.09 0.00 -0.02 0.00 0.00 41.12 36.55 3dwz n ASP 195 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3dwz s THR 196 N -3.24 2.83 0.00 -3.53 -4.23 -0.93 -1.25 115.64 105.29 3dwz s THR 196 Ca 0.46 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 3dwz s THR 196 Cb -0.21 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.17 3dwz s THR 196 CO 0.56 -0.30 0.00 1.07 -0.54 0.00 0.00 174.62 175.41 3dwz n THR 197 N -0.45 0.00 -4.17 3.99 5.66 -0.36 -1.42 114.28 117.53 3dwz n THR 197 Ca -0.07 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.78 3dwz n THR 197 Cb 0.58 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.25 3dwz n THR 197 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3dwz s THR 198 N -1.42 0.93 0.30 1.09 -4.23 -1.26 -0.97 115.64 110.09 3dwz s THR 198 Ca 0.00 -1.61 0.04 0.00 -1.18 0.00 0.00 61.69 58.94 3dwz s THR 198 Cb 0.00 -1.32 0.30 0.00 1.34 0.00 0.00 72.50 72.82 3dwz s THR 198 CO 0.00 -0.54 1.83 -0.65 -0.54 0.00 0.00 174.62 174.72 3dwz h PRO 199 N 3.62 0.85 0.17 3.99 0.11 -1.73 -1.05 132.00 137.96 3dwz h PRO 199 Ca -0.37 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 3dwz h PRO 199 Cb 1.19 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3dwz h PRO 199 CO 0.52 0.56 -0.08 1.25 -0.21 0.00 0.00 178.00 180.04 3dwz h HIS 200 N 0.88 -0.21 -0.39 0.65 2.76 -1.54 -1.78 115.15 115.52 3dwz h HIS 200 Ca 0.50 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.64 3dwz h HIS 200 Cb 0.63 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.64 3dwz h HIS 200 CO -0.00 -0.07 0.13 0.00 -1.30 0.00 0.00 177.93 176.69 3dwz h ALA 201 N 0.52 0.50 -0.03 5.26 0.00 -1.62 -2.42 119.26 121.48 3dwz h ALA 201 Ca -0.02 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 3dwz h ALA 201 Cb 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3dwz h ALA 201 CO 0.04 0.13 -0.63 0.97 0.00 0.00 0.00 179.25 179.76 3dwz h ILE 202 N 0.48 1.42 -0.69 0.00 6.09 -1.25 -1.85 117.51 121.72 3dwz h ILE 202 Ca 0.13 -2.09 -0.06 0.00 -1.37 0.00 0.00 64.86 61.46 3dwz h ILE 202 Cb 0.23 2.10 -0.03 0.00 0.47 0.00 0.00 36.82 39.60 3dwz h ILE 202 CO -0.01 0.61 0.19 0.00 -3.07 0.00 0.00 178.15 175.87 3dwz h ALA 203 N 1.28 0.91 -0.23 0.18 0.00 -1.15 0.08 119.26 120.33 3dwz h ALA 203 Ca -0.01 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3dwz h ALA 203 Cb 1.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3dwz h ALA 203 CO 0.09 0.62 -0.45 -0.07 0.00 0.00 0.00 179.25 179.44 3dwz h LEU 204 N 1.03 0.62 0.10 0.00 3.38 -1.15 -0.48 115.31 118.81 3dwz h LEU 204 Ca 0.22 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3dwz h LEU 204 Cb 0.34 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3dwz h LEU 204 CO -0.00 0.98 -0.05 0.58 0.09 0.00 0.00 178.44 180.04 3dwz h VAL 205 N 0.46 0.99 -0.68 1.22 2.07 -1.19 -2.56 116.25 116.57 3dwz h VAL 205 Ca 0.03 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 3dwz h VAL 205 Cb 0.97 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 3dwz h VAL 205 CO 0.09 0.09 0.25 0.25 0.02 0.00 0.00 177.57 178.27 3dwz h LEU 206 N -0.31 0.93 -0.53 2.57 5.85 -0.85 -1.82 115.31 121.16 3dwz h LEU 206 Ca -0.01 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.63 3dwz h LEU 206 Cb 0.25 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 3dwz h LEU 206 CO 0.02 0.84 0.22 -0.61 -0.34 0.00 0.00 178.44 178.57 3dwz h GLN 207 N 0.98 0.40 -0.71 1.25 4.15 -1.07 -1.18 115.11 118.93 3dwz h GLN 207 Ca 0.23 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.57 3dwz h GLN 207 Cb 0.22 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 3dwz h GLN 207 CO -0.02 0.27 0.23 1.96 -1.93 0.00 0.00 178.83 179.34 3dwz h GLN 208 N 0.42 1.10 -0.32 1.69 4.20 -0.93 0.47 115.11 121.74 3dwz h GLN 208 Ca 0.25 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 3dwz h GLN 208 Cb 0.24 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3dwz h GLN 208 CO -0.23 0.94 0.00 -0.07 -0.67 0.00 0.00 178.83 178.81 3dwz h LEU 209 N 1.05 0.56 0.01 1.46 3.38 -0.95 -2.42 115.31 118.39 3dwz h LEU 209 Ca 0.23 -0.30 -0.40 0.00 0.09 0.00 0.00 57.88 57.50 3dwz h LEU 209 Cb 0.30 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 3dwz h LEU 209 CO -0.01 0.72 -2.41 0.52 0.09 0.00 0.00 178.44 177.36 3dwz n VAL 210 N -4.54 1.53 -0.10 1.22 0.31 -0.48 -4.56 118.33 111.70 3dwz n VAL 210 Ca -0.02 -0.53 -0.11 0.00 -0.01 0.00 0.00 64.34 63.67 3dwz n VAL 210 Cb 0.26 -1.55 -0.15 0.00 -0.91 0.00 0.00 33.84 31.49 3dwz n VAL 210 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3dwz n LEU 211 N -3.49 0.50 0.00 7.52 4.77 -0.18 -5.01 117.00 121.12 3dwz n LEU 211 Ca -0.46 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3dwz n LEU 211 Cb 0.97 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 42.31 3dwz n LEU 211 CO 0.24 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 3dwz n GLY 212 N 1.89 1.07 0.66 -0.72 0.00 -0.02 -4.99 105.19 103.08 3dwz n GLY 212 Ca -0.34 -1.87 0.06 0.00 0.00 0.00 0.00 46.02 43.87 3dwz n GLY 212 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dwz n ASN 213 N 0.00 2.84 -0.34 1.61 3.02 -1.17 -4.63 115.26 116.60 3dwz n ASN 213 Ca 0.00 -3.31 0.05 0.00 -0.03 0.00 0.00 54.58 51.29 3dwz n ASN 213 Cb 0.00 -0.53 0.23 0.00 -0.61 0.00 0.00 39.78 38.88 3dwz n ASN 213 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dwz h ALA 214 N 0.97 1.51 -3.31 5.41 0.00 -1.81 -3.42 119.26 118.61 3dwz h ALA 214 Ca 0.05 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 54.30 3dwz h ALA 214 Cb 1.30 -0.25 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 3dwz h ALA 214 CO 0.17 0.31 -0.74 -0.51 0.00 0.00 0.00 179.25 178.47 3dwz s LEU 215 N -10.09 2.95 0.71 0.00 1.43 -1.26 -5.05 118.68 107.36 3dwz s LEU 215 Ca -0.12 -0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 52.32 3dwz s LEU 215 Cb 0.21 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.76 3dwz s LEU 215 CO 0.81 0.14 1.19 -2.84 0.23 0.00 0.00 176.35 175.87 3dwz s PRO 216 N -2.51 2.31 0.28 1.29 0.02 -1.26 -4.64 135.00 130.50 3dwz s PRO 216 Ca 0.22 1.69 0.03 0.00 0.02 0.00 0.00 61.00 62.96 3dwz s PRO 216 Cb -0.10 -1.86 0.68 0.00 0.02 0.00 0.00 34.50 33.24 3dwz s PRO 216 CO 0.14 -1.69 1.73 -1.35 -0.33 0.00 0.00 177.00 175.50 3dwz h PRO 217 N -0.17 0.51 -0.25 5.54 0.11 -1.97 0.58 132.00 136.35 3dwz h PRO 217 Ca -0.48 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3dwz h PRO 217 Cb 1.29 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3dwz h PRO 217 CO 0.51 0.34 0.14 0.38 -0.21 0.00 0.00 178.00 179.16 3dwz h ASP 218 N 0.53 0.31 -0.22 -2.05 3.04 -2.00 -0.48 116.42 115.55 3dwz h ASP 218 Ca 0.54 -0.07 -0.12 0.00 -3.24 0.00 0.00 57.03 54.13 3dwz h ASP 218 Cb 0.92 -0.08 -0.01 0.00 -1.04 0.00 0.00 39.33 39.12 3dwz h ASP 218 CO -0.45 0.30 -0.29 0.11 -2.04 0.00 0.00 179.24 176.87 3dwz h LYS 219 N 0.31 0.72 -0.80 4.15 1.57 -1.74 -2.68 116.57 118.09 3dwz h LYS 219 Ca 0.09 -0.32 0.05 0.00 -1.87 0.00 0.00 60.65 58.61 3dwz h LYS 219 Cb 0.05 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 3dwz h LYS 219 CO -0.02 0.92 0.49 -0.09 -0.57 0.00 0.00 179.45 180.19 3dwz h ARG 220 N 0.61 0.89 -0.44 3.15 2.43 -0.73 -2.23 114.38 118.06 3dwz h ARG 220 Ca 0.07 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 3dwz h ARG 220 Cb 0.80 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 3dwz h ARG 220 CO 0.07 0.59 -0.10 0.00 -1.51 0.00 0.00 179.97 179.01 3dwz h ALA 221 N 1.37 0.98 -0.11 2.80 0.00 -0.85 -1.00 119.26 122.45 3dwz h ALA 221 Ca 0.34 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dwz h ALA 221 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3dwz h ALA 221 CO -0.16 0.61 0.06 -0.07 0.00 0.00 0.00 179.25 179.69 3dwz h LEU 222 N 0.72 0.14 -0.30 0.00 3.38 -1.12 -0.32 115.31 117.82 3dwz h LEU 222 Ca 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3dwz h LEU 222 Cb 0.59 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3dwz h LEU 222 CO 0.04 0.21 0.20 0.25 0.09 0.00 0.00 178.44 179.23 3dwz h LEU 223 N 0.06 0.34 -0.36 1.67 5.85 -1.26 -2.00 115.31 119.61 3dwz h LEU 223 Ca 0.04 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3dwz h LEU 223 Cb 0.10 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3dwz h LEU 223 CO -0.01 0.25 0.21 0.74 -0.34 0.00 0.00 178.44 179.29 3dwz h THR 224 N 0.40 1.13 -0.64 1.05 2.02 -1.08 -1.88 112.91 113.92 3dwz h THR 224 Ca 0.11 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 3dwz h THR 224 Cb -0.04 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 3dwz h THR 224 CO -0.03 0.14 0.26 0.44 0.37 0.00 0.00 175.52 176.70 3dwz h ASP 225 N 0.47 0.89 -0.50 4.18 3.32 -0.95 0.26 116.42 124.08 3dwz h ASP 225 Ca 0.13 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3dwz h ASP 225 Cb 0.04 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3dwz h ASP 225 CO -0.02 0.81 0.32 -0.50 -1.72 0.00 0.00 179.24 178.13 3dwz h TRP 226 N 0.90 0.65 -0.36 4.55 6.55 -1.16 -1.40 115.95 125.69 3dwz h TRP 226 Ca 0.21 0.01 -0.10 0.00 0.95 0.00 0.00 58.89 59.96 3dwz h TRP 226 Cb 0.20 -0.22 -0.02 0.00 -0.86 0.00 0.00 29.16 28.27 3dwz h TRP 226 CO 0.01 0.43 -0.18 0.52 -1.05 0.00 0.00 178.44 178.17 3dwz h MET 227 N 0.68 0.68 -0.40 0.49 2.86 -0.96 -2.65 114.93 115.63 3dwz h MET 227 Ca 0.18 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3dwz h MET 227 Cb -0.04 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3dwz h MET 227 CO -0.04 0.82 0.27 0.00 1.06 0.00 0.00 176.91 179.02 3dwz h ALA 228 N 1.20 1.74 -0.62 6.32 0.00 -0.08 -2.54 119.26 125.28 3dwz h ALA 228 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dwz h ALA 228 Cb 0.64 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3dwz h ALA 228 CO 0.05 0.23 0.00 0.54 0.00 0.00 0.00 179.25 180.07 3dwz n ARG 229 N -4.48 3.72 -1.75 0.00 1.74 -0.56 -4.85 116.66 110.48 3dwz n ARG 229 Ca 0.03 -2.77 -0.41 0.00 -0.77 0.00 0.00 57.85 53.93 3dwz n ARG 229 Cb 0.08 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 29.62 3dwz n ARG 229 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3dwz n ASN 230 N 1.05 3.36 -0.32 0.55 5.15 -0.99 -4.88 115.26 119.19 3dwz n ASN 230 Ca 0.25 1.19 0.09 0.00 -0.60 0.00 0.00 54.58 55.50 3dwz n ASN 230 Cb 0.89 -1.58 -0.02 0.00 -0.53 0.00 0.00 39.78 38.54 3dwz n ASN 230 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3dwz n THR 231 N 0.19 0.00 0.77 -0.44 -2.24 -0.77 -4.60 114.28 107.19 3dwz n THR 231 Ca 0.03 -0.27 0.11 0.00 -2.27 0.00 0.00 64.05 61.65 3dwz n THR 231 Cb 0.39 1.16 0.11 0.00 -2.10 0.00 0.00 70.33 69.89 3dwz n THR 231 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dwz n THR 232 N -0.37 0.10 -0.04 4.28 -2.24 -1.25 -4.60 114.28 110.15 3dwz n THR 232 Ca 0.06 -0.55 0.06 0.00 -2.27 0.00 0.00 64.05 61.35 3dwz n THR 232 Cb 0.35 1.35 0.13 0.00 -2.10 0.00 0.00 70.33 70.07 3dwz n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dwz n GLY 233 N 1.22 2.11 0.27 3.38 0.00 -1.26 -4.71 105.19 106.20 3dwz n GLY 233 Ca 0.13 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.90 3dwz n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwz h ALA 234 N 2.13 1.52 -0.57 4.61 0.00 -1.91 -2.17 119.26 122.87 3dwz h ALA 234 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dwz h ALA 234 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3dwz h ALA 234 CO 0.00 0.09 0.00 1.63 0.00 0.00 0.00 179.25 180.97 3dwz n LYS 235 N -3.92 3.51 0.00 0.00 5.02 -1.26 -3.37 118.16 118.13 3dwz n LYS 235 Ca -0.03 -2.77 0.00 0.00 -2.02 0.00 0.00 58.31 53.50 3dwz n LYS 235 Cb 0.16 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 3dwz n LYS 235 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dwz n ARG 236 N 0.87 0.00 -0.36 1.97 1.74 -0.82 -4.11 116.66 115.96 3dwz n ARG 236 Ca 0.23 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.35 3dwz n ARG 236 Cb 0.82 0.00 0.19 0.00 -1.02 0.00 0.00 32.46 32.45 3dwz n ARG 236 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3dwz h ILE 237 N 0.00 1.03 -0.94 0.55 2.04 -1.81 -0.37 117.51 118.01 3dwz h ILE 237 Ca 0.00 -0.38 0.20 0.00 1.00 0.00 0.00 64.86 65.69 3dwz h ILE 237 Cb 0.00 -0.16 -0.11 0.00 -0.74 0.00 0.00 36.82 35.81 3dwz h ILE 237 CO 0.00 0.20 0.51 -0.09 0.00 0.00 0.00 178.15 178.77 3dwz h ARG 238 N 1.09 0.57 0.00 2.37 9.65 -1.84 -0.53 114.38 125.69 3dwz h ARG 238 Ca 0.44 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.29 3dwz h ARG 238 Cb 0.26 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 3dwz h ARG 238 CO -0.20 0.37 0.00 0.00 2.80 0.00 0.00 179.97 182.95 3dwz h ALA 239 N 1.67 1.00 0.00 2.80 0.00 -1.07 -3.10 119.26 120.56 3dwz h ALA 239 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3dwz h ALA 239 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3dwz h ALA 239 CO -0.44 0.00 -0.95 0.41 0.00 0.00 0.00 179.25 178.27 3dwz n GLY 240 N -0.06 -1.17 3.61 0.00 0.00 -0.21 -4.88 105.19 102.48 3dwz n GLY 240 Ca 0.01 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 3dwz n GLY 240 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dwz s PHE 241 N -3.13 3.01 0.80 1.61 0.40 -1.17 -3.87 117.98 115.64 3dwz s PHE 241 Ca 0.06 0.07 -0.14 0.00 -0.60 0.00 0.00 56.93 56.32 3dwz s PHE 241 Cb 0.15 -1.74 0.07 0.00 0.51 0.00 0.00 43.02 42.01 3dwz s PHE 241 CO 0.80 0.37 1.11 -2.30 0.70 0.00 0.00 175.22 175.90 3dwz n PRO 242 N 2.22 0.20 0.21 0.24 -0.02 -1.26 -4.88 135.00 131.70 3dwz n PRO 242 Ca -0.18 0.14 0.13 0.00 -2.02 0.00 0.00 63.50 61.57 3dwz n PRO 242 Cb 0.53 -2.36 0.73 0.00 -0.02 0.00 0.00 33.50 32.38 3dwz n PRO 242 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dwz h ALA 243 N -0.85 1.98 -0.01 3.55 0.00 -1.99 -1.36 119.26 120.58 3dwz h ALA 243 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3dwz h ALA 243 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3dwz h ALA 243 CO 0.45 -0.17 0.00 -0.40 0.00 0.00 0.00 179.25 179.14 3dwz n ASP 244 N -4.27 0.32 -4.73 0.00 5.75 -1.26 -4.65 116.55 107.71 3dwz n ASP 244 Ca 0.00 -1.16 -0.37 0.00 -0.01 0.00 0.00 54.79 53.25 3dwz n ASP 244 Cb 0.22 -0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.24 3dwz n ASP 244 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3dwz s TRP 245 N -1.99 3.50 0.20 2.11 0.52 -0.51 -3.75 118.94 119.01 3dwz s TRP 245 Ca 0.44 0.73 -0.30 0.00 0.02 0.00 0.00 56.10 56.98 3dwz s TRP 245 Cb 0.21 -2.41 -0.08 0.00 -1.15 0.00 0.00 33.47 30.04 3dwz s TRP 245 CO 0.34 0.25 1.08 0.21 0.02 0.00 0.00 176.95 178.85 3dwz s LYS 246 N 0.40 4.63 -0.04 4.98 2.20 -0.67 -4.89 119.74 126.35 3dwz s LYS 246 Ca 0.20 1.69 0.02 0.00 -0.36 0.00 0.00 55.97 57.52 3dwz s LYS 246 Cb -0.14 -3.27 0.02 0.00 -1.51 0.00 0.00 37.83 32.93 3dwz s LYS 246 CO 0.07 0.15 -0.07 0.08 -0.36 0.00 0.00 175.35 175.21 3dwz s VAL 247 N -0.48 0.72 0.04 4.02 1.01 -1.26 -1.20 120.40 123.25 3dwz s VAL 247 Ca 0.48 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.26 3dwz s VAL 247 Cb -0.29 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 3dwz s VAL 247 CO 0.35 0.26 -0.19 0.27 0.00 0.00 0.00 175.10 175.79 3dwz s ILE 248 N 0.66 1.52 0.23 2.22 -4.36 -0.65 -4.76 121.20 116.06 3dwz s ILE 248 Ca -0.10 -1.15 -0.22 0.00 -0.26 0.00 0.00 60.65 58.91 3dwz s ILE 248 Cb -0.13 -1.34 0.04 0.00 1.25 0.00 0.00 42.46 42.28 3dwz s ILE 248 CO 0.01 0.15 0.74 1.51 0.24 0.00 0.00 174.94 177.59 3dwz s ASP 249 N -1.19 -0.31 -0.04 4.36 -4.77 -1.03 -1.62 116.67 112.08 3dwz s ASP 249 Ca 0.06 -0.45 -0.00 0.00 -3.30 0.00 0.00 52.55 48.86 3dwz s ASP 249 Cb -0.09 0.66 0.03 0.00 -1.09 0.00 0.00 42.92 42.43 3dwz s ASP 249 CO 0.02 -1.18 0.01 -0.75 0.70 0.00 0.00 175.17 173.96 3dwz s LYS 250 N -3.76 0.32 0.51 2.11 2.47 -0.16 -4.69 119.74 116.53 3dwz s LYS 250 Ca 0.09 0.13 0.00 0.00 -1.56 0.00 0.00 55.97 54.64 3dwz s LYS 250 Cb -0.04 -0.60 0.02 0.00 -1.46 0.00 0.00 37.83 35.74 3dwz s LYS 250 CO 0.02 -0.20 0.74 0.95 0.16 0.00 0.00 175.35 177.01 3dwz s THR 251 N 1.42 3.33 -0.05 3.43 -4.23 -1.26 -1.69 115.64 116.59 3dwz s THR 251 Ca -0.04 -0.55 -0.07 0.00 -1.18 0.00 0.00 61.69 59.85 3dwz s THR 251 Cb -0.13 -3.25 0.01 0.00 1.34 0.00 0.00 72.50 70.48 3dwz s THR 251 CO -0.03 -0.18 0.18 -0.83 -0.54 0.00 0.00 174.62 173.23 3dwz s GLY 252 N -4.32 -0.10 -0.04 3.99 0.00 -0.59 -3.19 107.32 103.07 3dwz s GLY 252 Ca 0.53 0.37 -0.05 0.00 0.00 0.00 0.00 44.72 45.56 3dwz s GLY 252 CO 0.39 0.27 0.14 -1.59 0.00 0.00 0.00 173.10 172.31 3dwz s THR 253 N -0.32 0.02 0.09 0.90 2.01 -1.26 0.33 115.64 117.41 3dwz s THR 253 Ca -0.04 -0.20 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 3dwz s THR 253 Cb -0.03 -0.27 0.02 0.00 0.01 0.00 0.00 72.50 72.23 3dwz s THR 253 CO 0.01 -0.11 0.21 0.61 -0.69 0.00 0.00 174.62 174.65 3dwz n GLY 254 N 2.58 1.64 3.72 4.40 0.00 -0.53 -4.63 105.19 112.37 3dwz n GLY 254 Ca -0.15 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 3dwz n GLY 254 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dwz s ASP 255 N -1.55 3.04 -1.54 1.61 1.01 -1.21 -2.54 116.67 115.49 3dwz s ASP 255 Ca 0.04 1.11 -0.01 0.00 0.71 0.00 0.00 52.55 54.40 3dwz s ASP 255 Cb -0.01 -1.75 0.00 0.00 1.01 0.00 0.00 42.92 42.18 3dwz s ASP 255 CO 0.03 -2.86 0.12 -1.22 0.21 0.00 0.00 175.17 171.45 3dwz n TYR 256 N -3.99 -1.30 -1.79 4.23 4.02 -0.05 -2.57 117.16 115.71 3dwz n TYR 256 Ca 0.06 0.11 -0.08 0.00 -0.01 0.00 0.00 57.90 57.97 3dwz n TYR 256 Cb 0.58 -3.71 -0.02 0.00 -0.02 0.00 0.00 39.34 36.18 3dwz n TYR 256 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dwz n GLY 257 N -1.05 0.42 3.70 2.72 0.00 -0.77 -0.62 105.19 109.59 3dwz n GLY 257 Ca -0.19 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 3dwz n GLY 257 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dwz s ARG 258 N -3.73 4.34 -0.10 1.61 0.52 -1.05 -3.39 118.95 117.15 3dwz s ARG 258 Ca 0.00 1.89 -0.04 0.00 -0.52 0.00 0.00 55.73 57.06 3dwz s ARG 258 Cb 0.00 -3.44 0.05 0.00 0.52 0.00 0.00 34.95 32.09 3dwz s ARG 258 CO 0.00 -0.43 0.19 0.00 0.02 0.00 0.00 175.30 175.08 3dwz s ALA 259 N 1.71 -0.28 0.22 2.13 0.00 -0.82 -1.45 121.76 123.28 3dwz s ALA 259 Ca 0.61 0.66 0.07 0.00 0.00 0.00 0.00 51.96 53.30 3dwz s ALA 259 Cb -0.31 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.87 3dwz s ALA 259 CO 0.27 -0.61 -0.11 -0.80 0.00 0.00 0.00 175.76 174.51 3dwz s ASN 260 N 2.33 2.51 -0.20 0.00 0.01 0.15 -1.65 114.94 118.09 3dwz s ASN 260 Ca 0.03 -1.07 -0.13 0.00 -0.71 0.00 0.00 52.86 50.97 3dwz s ASN 260 Cb -0.12 -0.12 0.06 0.00 0.41 0.00 0.00 41.25 41.48 3dwz s ASN 260 CO -0.07 -0.24 0.51 -0.62 -1.51 0.00 0.00 177.10 175.17 3dwz s ASP 261 N -3.33 -0.63 -0.08 -1.22 2.15 0.01 -1.54 116.67 112.03 3dwz s ASP 261 Ca 0.24 1.08 0.04 0.00 0.43 0.00 0.00 52.55 54.35 3dwz s ASP 261 Cb 0.01 1.00 -0.01 0.00 -0.30 0.00 0.00 42.92 43.62 3dwz s ASP 261 CO 0.08 -0.20 -0.22 0.27 -0.17 0.00 0.00 175.17 174.92 3dwz s ILE 262 N 1.13 2.25 0.07 4.11 -4.36 -0.68 -0.99 121.20 122.73 3dwz s ILE 262 Ca -0.07 -0.97 0.01 0.00 -0.26 0.00 0.00 60.65 59.35 3dwz s ILE 262 Cb -0.06 -1.85 -0.04 0.00 1.25 0.00 0.00 42.46 41.76 3dwz s ILE 262 CO -0.11 0.56 -0.05 0.00 0.24 0.00 0.00 174.94 175.59 3dwz s ALA 263 N 0.05 0.68 -0.11 2.27 0.00 0.33 -0.99 121.76 123.99 3dwz s ALA 263 Ca -0.09 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.71 3dwz s ALA 263 Cb -0.15 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 3dwz s ALA 263 CO 0.06 -0.26 -0.15 0.08 0.00 0.00 0.00 175.76 175.49 3dwz s VAL 264 N -3.35 2.93 0.15 0.00 1.01 -0.64 -1.17 120.40 119.33 3dwz s VAL 264 Ca 0.05 -0.72 0.11 0.00 0.00 0.00 0.00 61.98 61.42 3dwz s VAL 264 Cb 0.04 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3dwz s VAL 264 CO -0.06 0.54 -0.26 0.68 0.00 0.00 0.00 175.10 176.01 3dwz s VAL 265 N 0.11 2.24 -0.08 2.92 -7.23 -0.27 -1.63 120.40 116.46 3dwz s VAL 265 Ca -0.07 -1.82 0.03 0.00 -1.81 0.00 0.00 61.98 58.31 3dwz s VAL 265 Cb -0.15 -2.00 0.01 0.00 0.56 0.00 0.00 36.38 34.80 3dwz s VAL 265 CO 0.05 0.01 -0.17 0.26 -0.31 0.00 0.00 175.10 174.94 3dwz s TRP 266 N -1.26 1.90 1.07 2.82 0.51 -0.34 -0.70 118.94 122.94 3dwz s TRP 266 Ca 0.15 -0.73 -0.12 0.00 -2.12 0.00 0.00 56.10 53.28 3dwz s TRP 266 Cb -0.09 -1.32 0.23 0.00 -0.81 0.00 0.00 33.47 31.47 3dwz s TRP 266 CO 0.07 -0.32 1.06 -1.54 -0.51 0.00 0.00 176.95 175.71 3dwz s SER 267 N 0.49 1.80 0.42 2.95 1.04 0.08 -1.67 113.70 118.81 3dwz s SER 267 Ca -0.15 1.60 0.29 0.00 0.48 0.00 0.00 55.95 58.16 3dwz s SER 267 Cb -0.16 -2.29 1.54 0.00 0.10 0.00 0.00 66.02 65.21 3dwz s SER 267 CO 0.06 -3.71 1.87 -0.65 0.98 0.00 0.00 173.24 171.79 3dwz h PRO 268 N -2.28 0.00 -0.65 4.02 0.11 -1.91 0.07 132.00 131.36 3dwz h PRO 268 Ca -0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3dwz h PRO 268 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3dwz h PRO 268 CO 0.50 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.54 3dwz n THR 269 N -2.50 1.64 -1.41 -1.15 -2.24 -1.26 -4.97 114.28 102.38 3dwz n THR 269 Ca -0.02 -1.17 -0.00 0.00 -2.27 0.00 0.00 64.05 60.59 3dwz n THR 269 Cb 0.05 0.21 -0.00 0.00 -2.10 0.00 0.00 70.33 68.49 3dwz n THR 269 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dwz n GLY 270 N 1.17 0.38 3.60 3.38 0.00 0.01 -5.03 105.19 108.70 3dwz n GLY 270 Ca 0.25 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 3dwz n GLY 270 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dwz s VAL 271 N -2.00 5.09 0.22 1.61 1.01 -1.26 -4.81 120.40 120.26 3dwz s VAL 271 Ca 0.00 0.62 -0.12 0.00 0.00 0.00 0.00 61.98 62.48 3dwz s VAL 271 Cb 0.00 -3.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.48 3dwz s VAL 271 CO 0.00 0.02 0.58 -2.16 0.00 0.00 0.00 175.10 173.54 3dwz s PRO 272 N 2.25 3.89 0.02 2.72 0.04 -1.26 -0.74 135.00 141.92 3dwz s PRO 272 Ca 0.18 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.63 3dwz s PRO 272 Cb -0.16 -2.70 -0.02 0.00 0.04 0.00 0.00 34.50 31.66 3dwz s PRO 272 CO 0.11 0.34 -0.04 0.71 0.04 0.00 0.00 177.00 178.16 3dwz s TYR 273 N -1.73 0.31 -0.13 0.56 2.02 0.12 -4.99 117.35 113.51 3dwz s TYR 273 Ca 0.45 -0.44 -0.05 0.00 -0.37 0.00 0.00 57.07 56.66 3dwz s TYR 273 Cb -0.12 -0.21 -0.04 0.00 -0.40 0.00 0.00 41.96 41.19 3dwz s TYR 273 CO 0.20 -0.14 0.04 0.08 -1.57 0.00 0.00 175.55 174.16 3dwz s VAL 274 N -1.22 4.63 -0.13 0.71 1.01 -1.26 -1.11 120.40 123.03 3dwz s VAL 274 Ca -0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 3dwz s VAL 274 Cb -0.08 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.31 3dwz s VAL 274 CO -0.01 0.55 -0.05 -0.69 0.00 0.00 0.00 175.10 174.91 3dwz s VAL 275 N -0.37 0.92 -0.19 2.92 1.01 -0.32 -3.91 120.40 120.47 3dwz s VAL 275 Ca 0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 3dwz s VAL 275 Cb -0.12 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.20 3dwz s VAL 275 CO 0.02 0.21 -0.13 0.00 0.00 0.00 0.00 175.10 175.20 3dwz s ALA 276 N 1.73 2.56 -0.08 5.51 0.00 -0.33 -0.51 121.76 130.63 3dwz s ALA 276 Ca 0.03 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 50.87 3dwz s ALA 276 Cb -0.14 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 21.61 3dwz s ALA 276 CO -0.08 -0.27 -0.15 0.08 0.00 0.00 0.00 175.76 175.34 3dwz s VAL 277 N 1.20 1.39 0.06 0.00 1.01 -0.16 -1.09 120.40 122.79 3dwz s VAL 277 Ca 0.02 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.43 3dwz s VAL 277 Cb -0.14 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 3dwz s VAL 277 CO -0.05 0.41 -0.12 -0.04 0.00 0.00 0.00 175.10 175.30 3dwz s MET 278 N 0.71 0.73 0.05 2.72 -1.94 0.12 -0.81 119.30 120.89 3dwz s MET 278 Ca -0.13 -0.84 -0.22 0.00 -1.71 0.00 0.00 55.69 52.79 3dwz s MET 278 Cb -0.16 -0.67 0.05 0.00 2.01 0.00 0.00 34.83 36.06 3dwz s MET 278 CO 0.03 0.15 0.51 -1.54 -0.01 0.00 0.00 175.02 174.16 3dwz s SER 279 N -1.55 -0.42 0.17 3.03 1.04 -0.66 -0.47 113.70 114.83 3dwz s SER 279 Ca -0.04 0.15 -0.07 0.00 0.48 0.00 0.00 55.95 56.47 3dwz s SER 279 Cb -0.09 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.50 3dwz s SER 279 CO 0.01 -0.72 0.24 1.51 0.98 0.00 0.00 173.24 175.27 3dwz s ASP 280 N -2.00 0.09 -0.42 7.02 1.47 -0.67 -1.94 116.67 120.23 3dwz s ASP 280 Ca -0.05 -0.99 0.11 0.00 1.18 0.00 0.00 52.55 52.80 3dwz s ASP 280 Cb -0.01 0.42 0.38 0.00 -0.34 0.00 0.00 42.92 43.37 3dwz s ASP 280 CO -0.02 -0.88 0.88 0.54 0.68 0.00 0.00 175.17 176.37 3dwz n ARG 281 N -0.21 1.91 -0.03 2.11 1.74 0.21 -0.85 116.66 121.55 3dwz n ARG 281 Ca -0.06 -3.88 0.22 0.00 -0.77 0.00 0.00 57.85 53.36 3dwz n ARG 281 Cb 0.63 -1.82 0.71 0.00 -1.02 0.00 0.00 32.46 30.96 3dwz n ARG 281 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dwz h ALA 282 N 2.94 2.51 -0.20 7.54 0.00 -1.80 -0.59 119.26 129.65 3dwz h ALA 282 Ca 0.09 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3dwz h ALA 282 Cb 0.88 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3dwz h ALA 282 CO 0.63 -0.77 0.30 0.78 0.00 0.00 0.00 179.25 180.19 3dwz h GLY 283 N 0.00 0.00 -0.72 0.00 0.00 -1.90 -0.74 103.07 99.71 3dwz h GLY 283 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3dwz h GLY 283 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3dwz n GLY 284 N -1.37 0.21 7.00 4.60 0.00 -0.23 -5.08 105.19 110.33 3dwz n GLY 284 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3dwz n GLY 284 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwz n GLY 285 N 1.16 -1.69 0.37 -0.02 0.00 -0.29 -3.59 105.19 101.13 3dwz n GLY 285 Ca 0.17 -1.29 0.08 0.00 0.00 0.00 0.00 46.02 44.99 3dwz n GLY 285 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3dwz h TYR 286 N 0.00 1.00 -0.41 1.61 3.20 -1.94 -1.82 116.97 118.60 3dwz h TYR 286 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3dwz h TYR 286 Cb 0.00 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 37.95 3dwz h TYR 286 CO 0.00 0.41 0.00 -0.40 -1.64 0.00 0.00 178.16 176.53 3dwz n ASP 287 N -4.57 2.53 -4.66 -2.11 5.75 -1.26 -0.87 116.55 111.36 3dwz n ASP 287 Ca 0.17 -1.94 -0.46 0.00 -0.01 0.00 0.00 54.79 52.55 3dwz n ASP 287 Cb 0.37 -0.27 -0.04 0.00 -1.03 0.00 0.00 41.12 40.15 3dwz n ASP 287 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dwz n ALA 288 N 0.88 0.90 -2.21 2.12 0.00 -0.69 -4.89 120.51 116.62 3dwz n ALA 288 Ca 0.17 0.44 -0.42 0.00 0.00 0.00 0.00 53.44 53.63 3dwz n ALA 288 Cb 0.42 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.57 3dwz n ALA 288 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3dwz s GLU 289 N 0.20 4.33 0.51 0.00 0.41 -1.26 -1.84 118.70 121.05 3dwz s GLU 289 Ca 0.74 2.02 -0.22 0.00 -0.41 0.00 0.00 54.97 57.10 3dwz s GLU 289 Cb -0.70 -3.29 -0.06 0.00 -1.78 0.00 0.00 34.13 28.30 3dwz s GLU 289 CO 0.45 -0.42 1.30 -2.14 -0.49 0.00 0.00 175.26 173.96 3dwz s PRO 290 N 1.21 3.39 -0.38 0.39 0.02 -1.26 -4.62 135.00 133.75 3dwz s PRO 290 Ca 0.64 2.10 0.02 0.00 0.02 0.00 0.00 61.00 63.77 3dwz s PRO 290 Cb -0.35 -2.34 0.12 0.00 0.02 0.00 0.00 34.50 31.94 3dwz s PRO 290 CO 0.30 -0.95 0.15 1.03 -0.33 0.00 0.00 177.00 177.20 3dwz s ARG 291 N -2.79 1.20 0.52 5.54 1.81 -1.26 -4.97 118.95 118.99 3dwz s ARG 291 Ca 0.68 -1.72 0.20 0.00 -1.72 0.00 0.00 55.73 53.17 3dwz s ARG 291 Cb -0.37 -2.49 1.30 0.00 -0.45 0.00 0.00 34.95 32.94 3dwz s ARG 291 CO 0.44 -1.05 2.07 0.93 -0.68 0.00 0.00 175.30 177.01 3dwz h GLU 292 N 7.36 0.04 -0.83 3.54 5.08 -1.94 -2.34 114.58 125.48 3dwz h GLU 292 Ca -0.07 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3dwz h GLU 292 Cb 0.97 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.16 3dwz h GLU 292 CO 0.51 0.03 0.54 0.00 -1.00 0.00 0.00 179.01 179.09 3dwz h ALA 293 N 1.85 1.65 -0.64 3.43 0.00 -1.94 -0.07 119.26 123.55 3dwz h ALA 293 Ca 0.14 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.12 3dwz h ALA 293 Cb 0.49 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3dwz h ALA 293 CO -0.01 0.20 0.29 1.25 0.00 0.00 0.00 179.25 180.98 3dwz h LEU 294 N 0.85 0.35 -0.40 0.00 5.85 -1.79 -0.27 115.31 119.91 3dwz h LEU 294 Ca 0.37 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 59.04 3dwz h LEU 294 Cb 0.33 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3dwz h LEU 294 CO -0.14 0.21 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.88 3dwz h LEU 295 N 0.51 0.89 -0.45 2.25 3.38 -1.18 -0.38 115.31 120.33 3dwz h LEU 295 Ca 0.31 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3dwz h LEU 295 Cb 0.33 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3dwz h LEU 295 CO -0.27 1.11 0.24 0.00 0.09 0.00 0.00 178.44 179.61 3dwz h ALA 296 N 0.81 0.57 -0.19 1.53 0.00 -0.94 0.11 119.26 121.16 3dwz h ALA 296 Ca 0.09 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3dwz h ALA 296 Cb 0.78 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3dwz h ALA 296 CO 0.06 -0.11 -0.01 0.93 0.00 0.00 0.00 179.25 180.13 3dwz h GLU 297 N 0.47 0.34 -0.72 0.00 5.08 -0.90 0.54 114.58 119.39 3dwz h GLU 297 Ca 0.19 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3dwz h GLU 297 Cb 0.08 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3dwz h GLU 297 CO -0.13 0.55 0.45 0.00 -1.00 0.00 0.00 179.01 178.89 3dwz h ALA 298 N 0.77 0.94 -0.81 3.43 0.00 -0.92 -1.45 119.26 121.21 3dwz h ALA 298 Ca 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3dwz h ALA 298 Cb 0.41 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3dwz h ALA 298 CO 0.01 0.23 0.38 0.00 0.00 0.00 0.00 179.25 179.87 3dwz h ALA 299 N 1.31 1.14 -0.83 0.00 0.00 -0.64 -1.05 119.26 119.18 3dwz h ALA 299 Ca 0.29 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3dwz h ALA 299 Cb 0.02 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 3dwz h ALA 299 CO -0.11 0.65 0.53 1.15 0.00 0.00 0.00 179.25 181.47 3dwz h THR 300 N 1.16 1.14 -0.40 0.00 2.02 -0.17 0.25 112.91 116.90 3dwz h THR 300 Ca 0.28 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 3dwz h THR 300 Cb 0.13 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 3dwz h THR 300 CO -0.03 0.19 0.10 0.00 0.37 0.00 0.00 175.52 176.14 3dwz h VAL 302 N 0.51 1.05 -0.93 0.00 2.07 -0.76 -2.92 116.25 115.28 3dwz h VAL 302 Ca 0.13 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 67.61 3dwz h VAL 302 Cb 0.32 0.98 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 3dwz h VAL 302 CO 0.00 0.05 0.60 0.00 0.02 0.00 0.00 177.57 178.24 3dwz h ALA 303 N 1.00 1.59 -0.75 1.67 0.00 -0.34 -0.13 119.26 122.29 3dwz h ALA 303 Ca 0.03 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3dwz h ALA 303 Cb 0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3dwz h ALA 303 CO -0.01 0.22 0.50 0.78 0.00 0.00 0.00 179.25 180.74 3dwz h GLY 304 N 0.94 1.06 1.24 0.00 0.00 -1.11 -0.57 103.07 104.62 3dwz h GLY 304 Ca 0.43 -0.38 -0.24 0.00 0.00 0.00 0.00 47.33 47.15 3dwz h GLY 304 CO -0.19 0.35 -0.91 -2.08 0.00 0.00 0.00 176.54 173.70 3dwz h VAL 305 N 0.96 1.29 0.00 4.60 2.07 -0.91 -3.30 116.25 120.96 3dwz h VAL 305 Ca 0.29 -2.13 -0.01 0.00 0.82 0.00 0.00 66.70 65.67 3dwz h VAL 305 Cb -0.02 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3dwz h VAL 305 CO -0.08 0.66 -0.04 -0.07 0.02 0.00 0.00 177.57 178.07 3dwz h LEU 306 N 0.45 0.00 0.00 2.57 3.38 -1.01 -3.52 115.31 117.17 3dwz h LEU 306 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3dwz h LEU 306 Cb 1.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 3dwz h LEU 306 CO 0.18 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.75