#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mwa s SER 2 N 0.00 1.60 -0.01 2.61 0.15 -0.57 -4.98 113.70 112.50 1mwa s SER 2 Ca 0.00 -0.90 -0.15 0.00 0.70 0.00 0.00 55.95 55.60 1mwa s SER 2 Cb 0.00 0.00 0.02 0.00 -1.71 0.00 0.00 66.02 64.33 1mwa s SER 2 CO 0.00 -0.29 0.30 0.54 1.20 0.00 0.00 173.24 174.99 1mwa s VAL 3 N -2.84 0.06 0.01 4.45 0.11 -1.26 -0.64 120.40 120.29 1mwa s VAL 3 Ca 0.10 -0.48 -0.18 0.00 -2.93 0.00 0.00 61.98 58.50 1mwa s VAL 3 Cb -0.00 -0.61 0.03 0.00 -1.53 0.00 0.00 36.38 34.27 1mwa s VAL 3 CO 0.00 -0.26 0.39 0.42 -3.33 0.00 0.00 175.10 172.32 1mwa s THR 4 N -1.32 0.05 -0.31 5.04 -4.23 0.63 -4.54 115.64 110.97 1mwa s THR 4 Ca -0.14 -0.45 0.02 0.00 -1.18 0.00 0.00 61.69 59.95 1mwa s THR 4 Cb -0.05 -0.84 0.09 0.00 1.34 0.00 0.00 72.50 73.04 1mwa s THR 4 CO 0.04 -0.25 0.02 -1.10 -0.54 0.00 0.00 174.62 172.79 1mwa s GLN 5 N -1.94 1.47 0.58 3.99 -0.21 -1.26 -1.53 119.66 120.76 1mwa s GLN 5 Ca -0.09 -1.52 0.34 0.00 0.02 0.00 0.00 55.36 54.11 1mwa s GLN 5 Cb -0.02 -2.85 1.79 0.00 1.00 0.00 0.00 33.01 32.93 1mwa s GLN 5 CO 0.01 -0.84 2.17 -1.00 -2.12 0.00 0.00 175.29 173.51 1mwa h PRO 6 N 7.77 0.00 -4.58 2.91 0.13 -1.96 -3.40 132.00 132.88 1mwa h PRO 6 Ca -0.10 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.32 1mwa h PRO 6 Cb 1.03 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.89 1mwa h PRO 6 CO 0.49 0.05 -0.53 -0.51 -0.23 0.00 0.00 178.00 177.26 1mwa s ASP 7 N -5.75 5.55 0.22 1.44 1.11 -1.26 -4.96 116.67 113.02 1mwa s ASP 7 Ca -0.03 -1.21 -0.05 0.00 0.18 0.00 0.00 52.55 51.44 1mwa s ASP 7 Cb 0.12 -1.95 0.21 0.00 1.07 0.00 0.00 42.92 42.37 1mwa s ASP 7 CO 0.52 -0.41 1.70 0.00 1.18 0.00 0.00 175.17 178.15 1mwa h ALA 8 N 8.34 0.97 -3.82 5.23 0.00 -1.80 -3.40 119.26 124.79 1mwa h ALA 8 Ca -0.24 -0.30 -0.35 0.00 0.00 0.00 0.00 54.91 54.03 1mwa h ALA 8 Cb 1.09 -0.20 -0.27 0.00 0.00 0.00 0.00 17.79 18.41 1mwa h ALA 8 CO 0.67 0.62 -0.76 1.03 0.00 0.00 0.00 179.25 180.81 1mwa s ARG 9 N -4.96 0.60 -0.07 0.00 0.52 -1.26 -1.39 118.95 112.38 1mwa s ARG 9 Ca -0.10 -0.39 -0.01 0.00 -0.52 0.00 0.00 55.73 54.71 1mwa s ARG 9 Cb 0.14 -0.55 0.03 0.00 0.52 0.00 0.00 34.95 35.09 1mwa s ARG 9 CO 0.83 0.14 -0.01 0.08 0.02 0.00 0.00 175.30 176.37 1mwa s VAL 10 N -0.43 0.45 -0.20 3.52 1.01 0.14 -4.93 120.40 119.95 1mwa s VAL 10 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1mwa s VAL 10 Cb -0.04 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.78 1mwa s VAL 10 CO -0.00 0.27 -0.16 -0.89 0.00 0.00 0.00 175.10 174.32 1mwa s THR 11 N 1.88 2.31 0.29 3.92 2.01 -1.26 -0.21 115.64 124.58 1mwa s THR 11 Ca 0.04 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.12 1mwa s THR 11 Cb -0.12 -2.05 -0.06 0.00 0.01 0.00 0.00 72.50 70.27 1mwa s THR 11 CO -0.05 0.42 -0.03 0.68 -0.69 0.00 0.00 174.62 174.95 1mwa s VAL 12 N 1.29 1.54 0.01 3.82 -7.23 0.21 -4.97 120.40 115.08 1mwa s VAL 12 Ca 0.03 -2.09 -0.09 0.00 -1.81 0.00 0.00 61.98 58.02 1mwa s VAL 12 Cb -0.14 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 1mwa s VAL 12 CO -0.10 -0.23 0.31 -0.44 -0.31 0.00 0.00 175.10 174.33 1mwa s SER 13 N -3.46 6.58 0.40 4.85 0.01 -1.26 -0.07 113.70 120.75 1mwa s SER 13 Ca 0.31 0.68 -0.24 0.00 1.31 0.00 0.00 55.95 58.01 1mwa s SER 13 Cb 0.05 -2.14 -0.12 0.00 0.21 0.00 0.00 66.02 64.02 1mwa s SER 13 CO 0.13 0.26 0.77 1.21 0.41 0.00 0.00 173.24 176.02 1mwa n GLU 14 N 1.29 0.91 -0.38 12.44 2.13 0.25 -1.00 120.64 136.27 1mwa n GLU 14 Ca -0.12 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1mwa n GLU 14 Cb 0.53 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.52 1mwa n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1mwa n GLY 15 N 1.51 2.20 3.95 8.31 0.00 0.24 -4.94 105.19 116.46 1mwa n GLY 15 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1mwa n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mwa s ALA 16 N -3.37 3.01 0.48 4.61 0.00 -0.17 -4.73 121.76 121.59 1mwa s ALA 16 Ca 0.00 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 50.72 1mwa s ALA 16 Cb 0.00 -2.48 0.02 0.00 0.00 0.00 0.00 23.12 20.66 1mwa s ALA 16 CO 0.00 -1.75 0.68 -1.54 0.00 0.00 0.00 175.76 173.15 1mwa s SER 17 N -4.72 5.55 -0.06 0.00 1.04 -1.18 -2.07 113.70 112.27 1mwa s SER 17 Ca 0.67 -0.05 -0.09 0.00 0.48 0.00 0.00 55.95 56.96 1mwa s SER 17 Cb -0.07 -1.01 0.02 0.00 0.10 0.00 0.00 66.02 65.06 1mwa s SER 17 CO 0.47 -0.89 0.22 -0.22 0.98 0.00 0.00 173.24 173.80 1mwa s LEU 18 N -4.57 1.20 -0.04 2.42 2.96 -0.39 -4.90 118.68 115.36 1mwa s LEU 18 Ca 0.54 0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 54.70 1mwa s LEU 18 Cb -0.10 0.81 0.03 0.00 0.50 0.00 0.00 46.19 47.43 1mwa s LEU 18 CO 0.36 -0.19 0.03 -1.58 -1.32 0.00 0.00 176.35 173.65 1mwa s GLN 19 N -0.39 0.17 -0.22 1.98 0.74 -1.26 -2.42 119.66 118.26 1mwa s GLN 19 Ca -0.05 0.21 -0.05 0.00 0.05 0.00 0.00 55.36 55.51 1mwa s GLN 19 Cb -0.03 -0.54 -0.02 0.00 1.10 0.00 0.00 33.01 33.51 1mwa s GLN 19 CO 0.01 -0.24 0.01 -0.51 -0.55 0.00 0.00 175.29 174.01 1mwa s LEU 20 N 1.60 3.22 0.09 3.68 1.02 0.11 -4.92 118.68 123.48 1mwa s LEU 20 Ca -0.02 -0.25 -0.28 0.00 0.02 0.00 0.00 54.13 53.59 1mwa s LEU 20 Cb -0.13 -1.83 -0.06 0.00 0.02 0.00 0.00 46.19 44.19 1mwa s LEU 20 CO -0.03 0.01 0.90 -0.13 0.02 0.00 0.00 176.35 177.12 1mwa s ARG 21 N 1.32 4.64 -0.04 1.70 0.52 -1.26 -0.31 118.95 125.52 1mwa s ARG 21 Ca 0.04 1.34 -0.01 0.00 -0.52 0.00 0.00 55.73 56.58 1mwa s ARG 21 Cb -0.15 -3.37 0.03 0.00 0.52 0.00 0.00 34.95 31.99 1mwa s ARG 21 CO 0.01 0.24 0.08 0.00 0.02 0.00 0.00 175.30 175.65 1mwa s LYS 23 N 1.33 2.09 0.04 0.00 -0.14 -0.58 -1.34 119.74 121.14 1mwa s LYS 23 Ca -0.07 -0.95 0.05 0.00 -1.36 0.00 0.00 55.97 53.65 1mwa s LYS 23 Cb -0.12 -2.09 -0.02 0.00 -1.68 0.00 0.00 37.83 33.92 1mwa s LYS 23 CO -0.04 0.56 -0.14 1.52 -0.76 0.00 0.00 175.35 176.48 1mwa s TYR 24 N -0.71 1.25 -0.11 3.18 -0.85 -0.94 -0.27 117.35 118.90 1mwa s TYR 24 Ca 0.11 -0.36 0.00 0.00 -0.52 0.00 0.00 57.07 56.30 1mwa s TYR 24 Cb -0.10 -0.74 -0.02 0.00 0.38 0.00 0.00 41.96 41.48 1mwa s TYR 24 CO 0.01 0.04 -0.10 0.45 -1.52 0.00 0.00 175.55 174.42 1mwa s SER 25 N -1.20 4.29 0.00 -0.18 0.15 0.19 -4.79 113.70 112.16 1mwa s SER 25 Ca 0.01 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1mwa s SER 25 Cb -0.08 -1.42 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 1mwa s SER 25 CO 0.01 0.24 0.00 0.00 1.20 0.00 0.00 173.24 174.69 1mwa n TYR 26 N 3.05 0.00 0.26 3.44 9.36 -1.26 -1.50 117.16 130.50 1mwa n TYR 26 Ca -0.18 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.19 1mwa n TYR 26 Cb 0.53 0.00 0.54 0.00 -0.63 0.00 0.00 39.34 39.77 1mwa n TYR 26 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1mwa h SER 27 N 0.00 0.00 -1.82 2.98 4.64 -2.02 -3.44 113.55 113.89 1mwa h SER 27 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mwa h SER 27 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1mwa h SER 27 CO 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 1mwa n ALA 28 N -2.11 0.00 -2.64 5.18 0.00 -1.26 -5.10 120.51 114.57 1mwa n ALA 28 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.06 1mwa n ALA 28 Cb 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 1mwa n ALA 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1mwa s THR 29 N 0.23 5.12 0.56 0.00 2.01 -1.26 -5.08 115.64 117.23 1mwa s THR 29 Ca 0.00 0.83 0.02 0.00 0.31 0.00 0.00 61.69 62.85 1mwa s THR 29 Cb 0.00 -3.80 0.04 0.00 0.01 0.00 0.00 72.50 68.76 1mwa s THR 29 CO 0.00 0.17 0.78 -2.16 -0.69 0.00 0.00 174.62 172.72 1mwa s PRO 30 N 1.80 2.47 0.27 4.92 0.04 -1.26 -5.00 135.00 138.24 1mwa s PRO 30 Ca 0.21 -0.88 -0.22 0.00 0.04 0.00 0.00 61.00 60.15 1mwa s PRO 30 Cb -0.15 -2.50 -0.09 0.00 0.04 0.00 0.00 34.50 31.80 1mwa s PRO 30 CO 0.09 -0.76 0.82 0.71 0.04 0.00 0.00 177.00 177.90 1mwa s TYR 31 N -2.77 3.65 0.03 0.56 2.02 0.20 -4.86 117.35 116.19 1mwa s TYR 31 Ca 0.58 1.55 0.06 0.00 -0.37 0.00 0.00 57.07 58.90 1mwa s TYR 31 Cb -0.10 -2.75 -0.02 0.00 -0.40 0.00 0.00 41.96 38.69 1mwa s TYR 31 CO 0.39 0.27 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.95 1mwa s LEU 32 N -2.05 2.15 0.03 -1.29 1.43 -0.52 -1.78 118.68 116.64 1mwa s LEU 32 Ca 0.47 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 53.07 1mwa s LEU 32 Cb -0.17 -0.85 -0.02 0.00 0.03 0.00 0.00 46.19 45.19 1mwa s LEU 32 CO 0.22 0.13 0.04 -0.36 0.23 0.00 0.00 176.35 176.61 1mwa s PHE 33 N -0.74 0.26 -0.06 0.29 0.40 -0.93 0.00 117.98 117.20 1mwa s PHE 33 Ca 0.06 -0.57 0.01 0.00 -0.60 0.00 0.00 56.93 55.83 1mwa s PHE 33 Cb -0.08 -0.19 0.02 0.00 0.51 0.00 0.00 43.02 43.28 1mwa s PHE 33 CO 0.01 -0.30 -0.05 -1.58 0.70 0.00 0.00 175.22 174.00 1mwa s TRP 34 N -2.31 0.92 0.20 0.36 0.52 -0.58 -0.95 118.94 117.09 1mwa s TRP 34 Ca -0.08 -0.30 0.08 0.00 0.02 0.00 0.00 56.10 55.82 1mwa s TRP 34 Cb -0.03 -0.79 -0.05 0.00 -1.15 0.00 0.00 33.47 31.45 1mwa s TRP 34 CO -0.04 -0.25 -0.16 0.71 0.02 0.00 0.00 176.95 177.24 1mwa s TYR 35 N 1.06 1.77 0.01 -1.98 1.51 0.26 -0.34 117.35 119.64 1mwa s TYR 35 Ca -0.08 -0.53 0.07 0.00 -1.01 0.00 0.00 57.07 55.52 1mwa s TYR 35 Cb -0.14 -0.83 -0.03 0.00 -0.11 0.00 0.00 41.96 40.85 1mwa s TYR 35 CO -0.01 0.37 -0.23 0.08 -1.11 0.00 0.00 175.55 174.66 1mwa s VAL 36 N -2.70 2.38 -0.20 0.71 1.01 0.02 -0.20 120.40 121.41 1mwa s VAL 36 Ca 0.21 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1mwa s VAL 36 Cb -0.02 -1.91 0.04 0.00 0.00 0.00 0.00 36.38 34.50 1mwa s VAL 36 CO 0.07 0.48 -0.10 -1.58 0.00 0.00 0.00 175.10 173.97 1mwa s GLN 37 N -0.96 1.97 0.56 2.72 0.74 0.44 -1.94 119.66 123.19 1mwa s GLN 37 Ca 0.12 -0.84 -0.08 0.00 0.05 0.00 0.00 55.36 54.61 1mwa s GLN 37 Cb -0.10 -2.41 -0.03 0.00 1.10 0.00 0.00 33.01 31.57 1mwa s GLN 37 CO 0.01 -0.44 0.92 0.71 -0.55 0.00 0.00 175.29 175.94 1mwa s TYR 38 N 1.41 3.54 0.00 1.67 1.51 -1.26 -1.22 117.35 123.00 1mwa s TYR 38 Ca -0.02 1.00 0.00 0.00 -1.01 0.00 0.00 57.07 57.04 1mwa s TYR 38 Cb -0.16 -2.57 0.00 0.00 -0.11 0.00 0.00 41.96 39.12 1mwa s TYR 38 CO -0.08 -0.56 0.00 -2.30 -1.11 0.00 0.00 175.55 171.50 1mwa n PRO 39 N -2.54 0.00 -2.41 -1.71 -0.02 -1.26 -2.79 135.00 124.27 1mwa n PRO 39 Ca 0.04 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.35 1mwa n PRO 39 Cb 0.55 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 34.05 1mwa n PRO 39 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1mwa n ARG 40 N -1.01 2.79 -3.42 -0.52 0.00 -1.26 -5.08 116.66 108.16 1mwa n ARG 40 Ca 0.00 -3.96 -0.12 0.00 -0.00 0.00 0.00 57.85 53.76 1mwa n ARG 40 Cb 0.00 -1.97 -0.05 0.00 0.00 0.00 0.00 32.46 30.44 1mwa n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1mwa n GLN 41 N -0.54 0.28 0.00 -0.14 10.64 -1.12 -5.17 117.38 121.32 1mwa n GLN 41 Ca 0.29 -2.11 0.00 0.00 -1.83 0.00 0.00 57.00 53.35 1mwa n GLN 41 Cb 0.84 1.71 0.00 0.00 -0.86 0.00 0.00 30.24 31.92 1mwa n GLN 41 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1mwa n GLY 42 N -0.37 -1.21 3.90 2.61 0.00 -1.26 -4.69 105.19 104.18 1mwa n GLY 42 Ca 0.05 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 1mwa n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mwa s LEU 43 N 0.00 4.13 -0.01 0.99 1.02 -1.26 -4.42 118.68 119.13 1mwa s LEU 43 Ca 0.00 0.67 0.03 0.00 0.02 0.00 0.00 54.13 54.85 1mwa s LEU 43 Cb 0.00 -3.46 -0.01 0.00 0.02 0.00 0.00 46.19 42.74 1mwa s LEU 43 CO 0.00 -0.12 -0.10 -1.10 0.02 0.00 0.00 176.35 175.05 1mwa s GLN 44 N -3.30 0.87 0.30 1.70 -1.52 -0.82 -4.95 119.66 111.95 1mwa s GLN 44 Ca 0.43 -0.36 -0.28 0.00 -1.95 0.00 0.00 55.36 53.19 1mwa s GLN 44 Cb -0.11 -0.84 -0.09 0.00 -0.22 0.00 0.00 33.01 31.75 1mwa s GLN 44 CO 0.28 0.20 1.11 -1.17 -0.25 0.00 0.00 175.29 175.46 1mwa s LEU 45 N -0.16 4.48 -0.21 2.90 2.96 -1.26 -0.80 118.68 126.58 1mwa s LEU 45 Ca 0.03 2.27 -0.01 0.00 -0.22 0.00 0.00 54.13 56.20 1mwa s LEU 45 Cb -0.05 -3.72 -0.12 0.00 0.50 0.00 0.00 46.19 42.80 1mwa s LEU 45 CO -0.00 -0.24 -0.20 0.18 -1.32 0.00 0.00 176.35 174.77 1mwa n LEU 46 N 0.95 2.65 -3.62 -0.68 4.77 0.54 -4.87 117.00 116.75 1mwa n LEU 46 Ca -0.00 -0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 55.93 1mwa n LEU 46 Cb 0.45 -0.70 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1mwa n LEU 46 CO 0.53 0.76 0.92 -1.48 -1.33 0.00 0.00 177.39 176.79 1mwa s LEU 47 N -6.42 -0.15 0.12 2.23 0.05 -1.17 -2.28 118.68 111.06 1mwa s LEU 47 Ca -0.28 -0.12 -0.01 0.00 0.05 0.00 0.00 54.13 53.77 1mwa s LEU 47 Cb 0.08 1.62 -0.04 0.00 -2.05 0.00 0.00 46.19 45.81 1mwa s LEU 47 CO 0.45 -0.44 0.06 -1.59 -0.55 0.00 0.00 176.35 174.28 1mwa s LYS 48 N -2.69 0.89 -0.04 1.48 -2.85 -1.26 -1.53 119.74 113.75 1mwa s LYS 48 Ca 0.11 -1.40 0.00 0.00 -1.00 0.00 0.00 55.97 53.69 1mwa s LYS 48 Cb 0.01 0.24 0.03 0.00 -2.06 0.00 0.00 37.83 36.05 1mwa s LYS 48 CO -0.04 -0.25 -0.01 -0.47 0.10 0.00 0.00 175.35 174.68 1mwa s TYR 49 N -4.03 0.50 -0.11 1.78 5.04 0.10 -4.94 117.35 115.69 1mwa s TYR 49 Ca 0.21 -0.08 -0.08 0.00 -2.44 0.00 0.00 57.07 54.69 1mwa s TYR 49 Cb 0.07 -0.54 -0.05 0.00 0.35 0.00 0.00 41.96 41.79 1mwa s TYR 49 CO 0.00 -0.17 -0.18 0.66 -1.34 0.00 0.00 175.55 174.52 1mwa n TYR 50 N 4.25 0.00 -3.84 4.97 0.53 -1.26 -1.45 117.16 120.37 1mwa n TYR 50 Ca -0.23 0.00 -0.03 0.00 -1.02 0.00 0.00 57.90 56.62 1mwa n TYR 50 Cb 0.50 -0.42 0.01 0.00 -1.03 0.00 0.00 39.34 38.40 1mwa n TYR 50 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 1mwa s SER 51 N -6.16 -0.05 0.00 7.72 1.04 -1.26 -4.75 113.70 110.24 1mwa s SER 51 Ca -0.18 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1mwa s SER 51 Cb 0.06 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1mwa s SER 51 CO 0.23 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.17 1mwa n GLY 52 N -0.64 -0.21 3.67 7.32 0.00 -1.26 -4.92 105.19 109.17 1mwa n GLY 52 Ca -0.04 -1.37 -0.62 0.00 0.00 0.00 0.00 46.02 43.99 1mwa n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mwa n ASP 53 N 0.74 1.31 0.18 1.61 4.64 -1.26 -4.84 116.55 118.93 1mwa n ASP 53 Ca 0.00 1.15 0.14 0.00 -1.38 0.00 0.00 54.79 54.69 1mwa n ASP 53 Cb 0.00 -0.99 0.55 0.00 -1.04 0.00 0.00 41.12 39.65 1mwa n ASP 53 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1mwa h PRO 54 N 5.11 0.00 -4.61 -0.67 0.13 -1.91 -3.41 132.00 126.64 1mwa h PRO 54 Ca -0.46 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.96 1mwa h PRO 54 Cb 1.37 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.30 1mwa h PRO 54 CO 0.89 0.00 -0.42 0.14 -0.23 0.00 0.00 178.00 178.38 1mwa s VAL 55 N -3.43 5.25 -0.07 1.56 -7.23 -1.26 0.03 120.40 115.24 1mwa s VAL 55 Ca 0.03 -0.48 0.04 0.00 -1.81 0.00 0.00 61.98 59.76 1mwa s VAL 55 Cb 0.09 -3.88 -0.02 0.00 0.56 0.00 0.00 36.38 33.14 1mwa s VAL 55 CO 0.44 -0.23 -0.18 0.68 -0.31 0.00 0.00 175.10 175.51 1mwa s VAL 56 N 1.75 2.71 -0.17 1.32 -7.23 -0.25 -4.99 120.40 113.54 1mwa s VAL 56 Ca 0.06 -0.83 -0.10 0.00 -1.81 0.00 0.00 61.98 59.30 1mwa s VAL 56 Cb -0.18 -2.06 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 1mwa s VAL 56 CO 0.11 0.57 0.16 -1.10 -0.31 0.00 0.00 175.10 174.52 1mwa s GLN 57 N -0.28 3.99 0.00 4.82 -0.21 -1.26 -1.17 119.66 125.56 1mwa s GLN 57 Ca 0.01 -0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.25 1mwa s GLN 57 Cb -0.13 -3.35 0.00 0.00 1.00 0.00 0.00 33.01 30.53 1mwa s GLN 57 CO 0.03 0.43 0.00 0.41 -2.12 0.00 0.00 175.29 174.04 1mwa n GLY 58 N 3.05 6.69 3.79 3.09 0.00 0.21 -4.97 105.19 117.04 1mwa n GLY 58 Ca -0.16 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.49 1mwa n GLY 58 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mwa s VAL 59 N 1.27 3.64 -1.26 1.61 -7.23 -0.96 -4.24 120.40 113.23 1mwa s VAL 59 Ca 0.00 1.14 -0.12 0.00 -1.81 0.00 0.00 61.98 61.18 1mwa s VAL 59 Cb 0.00 -3.53 -0.00 0.00 0.56 0.00 0.00 36.38 33.41 1mwa s VAL 59 CO 0.00 -0.11 0.63 -3.20 -0.31 0.00 0.00 175.10 172.11 1mwa n ASN 60 N -0.57 -3.01 0.00 4.85 2.85 -1.26 -2.01 115.26 116.11 1mwa n ASN 60 Ca 0.07 -1.02 0.00 0.00 -0.11 0.00 0.00 54.58 53.52 1mwa n ASN 60 Cb 0.51 -3.17 0.00 0.00 1.24 0.00 0.00 39.78 38.35 1mwa n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1mwa n GLY 61 N -1.83 0.44 3.83 8.20 0.00 -1.26 -4.98 105.19 109.59 1mwa n GLY 61 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1mwa n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mwa s PHE 62 N -2.16 3.55 -0.09 1.61 0.40 -0.85 -4.28 117.98 116.18 1mwa s PHE 62 Ca 0.00 1.28 -0.31 0.00 -0.60 0.00 0.00 56.93 57.30 1mwa s PHE 62 Cb 0.00 -2.55 0.09 0.00 0.51 0.00 0.00 43.02 41.07 1mwa s PHE 62 CO 0.00 0.27 0.79 -1.83 0.70 0.00 0.00 175.22 175.15 1mwa s GLU 63 N -2.30 0.90 0.24 0.44 -1.05 -0.40 0.65 118.70 117.18 1mwa s GLU 63 Ca 0.46 0.22 0.04 0.00 -0.15 0.00 0.00 54.97 55.54 1mwa s GLU 63 Cb -0.14 0.43 -0.05 0.00 -0.44 0.00 0.00 34.13 33.92 1mwa s GLU 63 CO 0.20 -0.28 -0.00 0.00 0.95 0.00 0.00 175.26 176.12 1mwa s ALA 64 N -1.16 1.90 -0.07 -0.84 0.00 -0.31 0.35 121.76 121.61 1mwa s ALA 64 Ca -0.08 -1.80 -0.02 0.00 0.00 0.00 0.00 51.96 50.06 1mwa s ALA 64 Cb -0.00 0.48 0.03 0.00 0.00 0.00 0.00 23.12 23.63 1mwa s ALA 64 CO 0.07 -0.24 0.03 -2.00 0.00 0.00 0.00 175.76 173.63 1mwa s GLU 65 N -3.85 0.29 -0.02 0.00 2.12 -1.14 -1.09 118.70 115.01 1mwa s GLU 65 Ca 0.29 0.17 -0.30 0.00 0.36 0.00 0.00 54.97 55.49 1mwa s GLU 65 Cb 0.06 -0.92 -0.03 0.00 0.26 0.00 0.00 34.13 33.49 1mwa s GLU 65 CO 0.09 -0.36 1.06 0.12 -0.54 0.00 0.00 175.26 175.63 1mwa s PHE 66 N 2.06 3.53 -0.29 5.30 2.19 0.10 -3.79 117.98 127.07 1mwa s PHE 66 Ca 0.04 1.54 0.02 0.00 0.33 0.00 0.00 56.93 58.86 1mwa s PHE 66 Cb -0.13 -3.23 0.08 0.00 -1.31 0.00 0.00 43.02 38.43 1mwa s PHE 66 CO -0.05 -0.47 0.01 0.45 1.83 0.00 0.00 175.22 176.99 1mwa s SER 67 N 1.09 4.31 0.15 6.13 0.15 -0.23 -4.76 113.70 120.54 1mwa s SER 67 Ca 0.53 -1.67 -0.17 0.00 0.70 0.00 0.00 55.95 55.34 1mwa s SER 67 Cb -0.23 -1.33 -0.00 0.00 -1.71 0.00 0.00 66.02 62.75 1mwa s SER 67 CO 0.25 -0.32 1.81 0.50 1.20 0.00 0.00 173.24 176.68 1mwa h LYS 68 N 7.83 0.48 0.00 5.44 3.64 -1.95 0.80 116.57 132.81 1mwa h LYS 68 Ca -0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1mwa h LYS 68 Cb 1.04 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1mwa h LYS 68 CO 0.47 0.32 0.00 0.43 -2.27 0.00 0.00 179.45 178.40 1mwa n SER 69 N -4.83 0.00 0.02 4.20 7.64 -1.26 -1.83 113.62 117.56 1mwa n SER 69 Ca -0.00 0.72 0.03 0.00 1.01 0.00 0.00 58.87 60.63 1mwa n SER 69 Cb 0.03 -0.22 0.14 0.00 -1.01 0.00 0.00 64.21 63.15 1mwa n SER 69 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1mwa n ASN 70 N -1.60 0.06 -3.62 6.43 4.13 -1.20 -4.84 115.26 114.63 1mwa n ASN 70 Ca 0.00 0.52 -0.22 0.00 1.68 0.00 0.00 54.58 56.57 1mwa n ASN 70 Cb 0.00 -0.53 0.06 0.00 -1.54 0.00 0.00 39.78 37.77 1mwa n ASN 70 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1mwa n SER 71 N -1.58 -3.26 -4.31 6.41 2.88 0.27 -4.91 113.62 109.12 1mwa n SER 71 Ca 0.01 -0.68 -0.16 0.00 -1.33 0.00 0.00 58.87 56.71 1mwa n SER 71 Cb 0.06 -4.62 -0.10 0.00 -0.75 0.00 0.00 64.21 58.80 1mwa n SER 71 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1mwa s SER 72 N -3.95 1.69 -0.43 -3.46 1.04 -0.58 -2.21 113.70 105.80 1mwa s SER 72 Ca 0.25 -1.21 0.08 0.00 0.48 0.00 0.00 55.95 55.55 1mwa s SER 72 Cb -0.11 0.03 0.29 0.00 0.10 0.00 0.00 66.02 66.33 1mwa s SER 72 CO 0.77 -0.52 0.85 0.33 0.98 0.00 0.00 173.24 175.65 1mwa n PHE 73 N -0.38 -1.80 -2.33 5.02 7.35 -0.45 -1.06 117.46 123.82 1mwa n PHE 73 Ca -0.05 -2.71 -0.40 0.00 -0.76 0.00 0.00 57.45 53.53 1mwa n PHE 73 Cb 0.64 0.75 -0.03 0.00 0.35 0.00 0.00 39.48 41.19 1mwa n PHE 73 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1mwa s HIS 74 N -0.54 3.33 0.00 -5.13 3.76 -1.25 -4.34 115.29 111.12 1mwa s HIS 74 Ca 0.31 1.58 -0.06 0.00 -0.15 0.00 0.00 55.06 56.75 1mwa s HIS 74 Cb 0.27 -3.44 -0.05 0.00 1.11 0.00 0.00 32.58 30.47 1mwa s HIS 74 CO -0.12 -1.10 0.25 -1.17 -0.85 0.00 0.00 174.74 171.74 1mwa s LEU 75 N -1.71 4.37 0.04 0.89 2.96 0.58 -2.88 118.68 122.93 1mwa s LEU 75 Ca 0.48 0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 54.88 1mwa s LEU 75 Cb -0.34 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.68 1mwa s LEU 75 CO 0.45 0.26 0.00 -0.13 -1.32 0.00 0.00 176.35 175.61 1mwa s ARG 76 N -1.78 0.51 -0.19 1.98 0.52 0.15 0.08 118.95 120.22 1mwa s ARG 76 Ca 0.27 -0.91 -0.08 0.00 -0.52 0.00 0.00 55.73 54.49 1mwa s ARG 76 Cb -0.13 0.18 0.08 0.00 0.52 0.00 0.00 34.95 35.60 1mwa s ARG 76 CO 0.16 -0.10 0.43 0.21 0.02 0.00 0.00 175.30 176.03 1mwa s LYS 77 N -2.79 0.38 0.12 3.54 2.20 -1.02 -1.28 119.74 120.89 1mwa s LYS 77 Ca -0.03 0.94 -0.20 0.00 -0.36 0.00 0.00 55.97 56.32 1mwa s LYS 77 Cb -0.00 0.17 -0.06 0.00 -1.51 0.00 0.00 37.83 36.43 1mwa s LYS 77 CO -0.06 -0.20 1.77 0.00 -0.36 0.00 0.00 175.35 176.50 1mwa h ALA 78 N 7.63 0.25 -3.11 3.13 0.00 -1.86 -1.03 119.26 124.26 1mwa h ALA 78 Ca -0.26 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.16 1mwa h ALA 78 Cb 1.15 -0.06 -0.41 0.00 0.00 0.00 0.00 17.79 18.47 1mwa h ALA 78 CO 0.20 -0.29 -0.76 0.45 0.00 0.00 0.00 179.25 178.86 1mwa s SER 79 N -5.36 2.57 0.12 0.00 0.15 -1.26 -3.07 113.70 106.86 1mwa s SER 79 Ca -0.13 -0.71 0.02 0.00 0.70 0.00 0.00 55.95 55.83 1mwa s SER 79 Cb 0.09 -0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.00 1mwa s SER 79 CO 0.69 -0.34 0.26 0.68 1.20 0.00 0.00 173.24 175.73 1mwa s VAL 80 N 2.05 5.32 0.36 4.45 -7.23 -0.88 -4.92 120.40 119.56 1mwa s VAL 80 Ca 0.01 -0.61 0.03 0.00 -1.81 0.00 0.00 61.98 59.61 1mwa s VAL 80 Cb -0.16 -3.70 -0.01 0.00 0.56 0.00 0.00 36.38 33.07 1mwa s VAL 80 CO -0.10 -0.02 0.11 1.41 -0.31 0.00 0.00 175.10 176.19 1mwa n HIS 81 N -0.30 0.21 -0.28 2.82 8.25 -1.26 -0.59 115.22 124.07 1mwa n HIS 81 Ca -0.06 -2.26 -0.00 0.00 -0.26 0.00 0.00 57.72 55.13 1mwa n HIS 81 Cb 0.53 -0.04 0.06 0.00 1.12 0.00 0.00 29.99 31.67 1mwa n HIS 81 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 1mwa h TRP 82 N 1.55 -0.67 0.00 4.41 7.01 -1.91 -0.83 115.95 125.50 1mwa h TRP 82 Ca -0.29 0.08 0.00 0.00 2.11 0.00 0.00 58.89 60.79 1mwa h TRP 82 Cb 1.06 0.41 0.00 0.00 -2.10 0.00 0.00 29.16 28.53 1mwa h TRP 82 CO 0.00 -0.37 0.11 -1.13 -2.79 0.00 0.00 178.44 174.27 1mwa n SER 83 N -5.49 0.33 0.00 2.65 3.41 -1.26 -0.64 113.62 112.62 1mwa n SER 83 Ca 0.09 0.60 0.14 0.00 -0.26 0.00 0.00 58.87 59.44 1mwa n SER 83 Cb 0.39 -0.61 0.65 0.00 -0.26 0.00 0.00 64.21 64.38 1mwa n SER 83 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1mwa n ASP 84 N -1.94 0.00 -4.69 4.04 8.00 -0.32 -4.79 116.55 116.85 1mwa n ASP 84 Ca -0.01 0.26 -0.43 0.00 0.71 0.00 0.00 54.79 55.32 1mwa n ASP 84 Cb 0.13 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.78 1mwa n ASP 84 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1mwa n SER 85 N -1.42 3.94 0.00 -2.24 7.64 0.19 -4.86 113.62 116.88 1mwa n SER 85 Ca 0.09 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1mwa n SER 85 Cb 0.29 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 61.95 1mwa n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mwa n ALA 86 N 5.18 0.00 -3.22 -0.43 0.00 -1.02 -4.92 120.51 116.09 1mwa n ALA 86 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.28 1mwa n ALA 86 Cb 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.67 1mwa n ALA 86 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1mwa s VAL 87 N -2.74 3.46 -0.13 0.00 1.01 -0.36 -0.36 120.40 121.29 1mwa s VAL 87 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1mwa s VAL 87 Cb 0.00 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1mwa s VAL 87 CO 0.00 0.47 -0.02 -0.31 0.00 0.00 0.00 175.10 175.24 1mwa s TYR 88 N 0.87 3.07 -0.05 5.22 1.51 -0.47 0.17 117.35 127.67 1mwa s TYR 88 Ca -0.01 -0.10 0.05 0.00 -1.01 0.00 0.00 57.07 56.00 1mwa s TYR 88 Cb -0.15 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.78 1mwa s TYR 88 CO 0.01 0.15 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.36 1mwa s PHE 89 N -0.09 2.57 0.03 2.71 0.08 0.72 -1.49 117.98 122.50 1mwa s PHE 89 Ca 0.03 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.76 1mwa s PHE 89 Cb -0.13 -1.60 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 1mwa s PHE 89 CO 0.02 0.05 0.08 0.00 -0.10 0.00 0.00 175.22 175.27 1mwa s ALA 91 N -1.26 0.35 0.06 0.00 0.00 -0.12 -1.05 121.76 119.73 1mwa s ALA 91 Ca 0.25 -1.13 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 1mwa s ALA 91 Cb -0.12 0.91 0.03 0.00 0.00 0.00 0.00 23.12 23.93 1mwa s ALA 91 CO 0.17 -0.60 0.35 0.54 0.00 0.00 0.00 175.76 176.21 1mwa s VAL 92 N -4.01 0.08 -0.10 0.00 0.11 -0.22 -2.19 120.40 114.07 1mwa s VAL 92 Ca 0.21 -0.62 -0.08 0.00 -2.93 0.00 0.00 61.98 58.56 1mwa s VAL 92 Cb 0.05 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.93 1mwa s VAL 92 CO 0.02 -0.34 0.25 -0.55 -3.33 0.00 0.00 175.10 171.14 1mwa s SER 93 N -2.19 -0.26 0.00 3.54 0.15 -0.73 -0.77 113.70 113.43 1mwa s SER 93 Ca -0.03 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1mwa s SER 93 Cb -0.00 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1mwa s SER 93 CO -0.05 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1mwa n GLY 99 N 3.22 0.13 0.20 9.45 0.00 -1.26 0.60 105.19 117.53 1mwa n GLY 99 Ca -0.15 0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 1mwa n GLY 99 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1mwa h PHE 100 N 0.00 -0.77 -2.82 1.61 0.05 -1.96 -3.44 116.94 109.61 1mwa h PHE 100 Ca 0.00 0.04 -0.46 0.00 3.82 0.00 0.00 57.97 61.37 1mwa h PHE 100 Cb 0.00 0.36 0.03 0.00 2.00 0.00 0.00 35.95 38.35 1mwa h PHE 100 CO 0.00 -0.22 -0.06 0.00 -0.18 0.00 0.00 178.31 177.85 1mwa s ALA 101 N -4.58 3.72 -1.28 2.45 0.00 -1.26 -5.02 121.76 115.79 1mwa s ALA 101 Ca -0.06 -1.05 0.28 0.00 0.00 0.00 0.00 51.96 51.12 1mwa s ALA 101 Cb 0.04 -2.18 0.99 0.00 0.00 0.00 0.00 23.12 21.97 1mwa s ALA 101 CO 0.28 -0.46 1.73 0.43 0.00 0.00 0.00 175.76 177.73 1mwa n SER 102 N -2.16 0.38 -4.89 0.00 7.64 -1.26 -4.87 113.62 108.45 1mwa n SER 102 Ca 0.02 -0.20 -0.29 0.00 1.01 0.00 0.00 58.87 59.42 1mwa n SER 102 Cb 0.58 -0.08 0.01 0.00 -1.01 0.00 0.00 64.21 63.71 1mwa n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mwa s ALA 103 N -2.78 3.23 -0.11 -0.43 0.00 -1.26 -5.06 121.76 115.35 1mwa s ALA 103 Ca 0.19 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 51.72 1mwa s ALA 103 Cb 0.19 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 1mwa s ALA 103 CO 0.56 -0.63 0.08 -0.51 0.00 0.00 0.00 175.76 175.26 1mwa s LEU 104 N -5.00 4.04 -0.19 0.00 1.43 -1.26 -4.62 118.68 113.08 1mwa s LEU 104 Ca 0.52 0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 53.83 1mwa s LEU 104 Cb -0.11 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 1mwa s LEU 104 CO 0.49 0.38 0.18 -0.89 0.23 0.00 0.00 176.35 176.73 1mwa s THR 105 N -0.85 5.37 0.01 5.49 2.01 0.05 -4.90 115.64 122.83 1mwa s THR 105 Ca 0.13 0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.43 1mwa s THR 105 Cb -0.12 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1mwa s THR 105 CO 0.03 0.41 0.07 -0.36 -0.69 0.00 0.00 174.62 174.08 1mwa s PHE 106 N 0.49 3.24 0.82 4.92 0.40 -1.26 -1.06 117.98 125.54 1mwa s PHE 106 Ca 0.10 0.16 -0.12 0.00 -0.60 0.00 0.00 56.93 56.48 1mwa s PHE 106 Cb -0.12 -1.70 0.08 0.00 0.51 0.00 0.00 43.02 41.79 1mwa s PHE 106 CO 0.00 0.53 1.12 0.20 0.70 0.00 0.00 175.22 177.78 1mwa s GLY 107 N -1.85 1.61 0.47 4.36 0.00 -0.21 -4.93 107.32 106.76 1mwa s GLY 107 Ca 0.24 -0.38 0.20 0.00 0.00 0.00 0.00 44.72 44.78 1mwa s GLY 107 CO 0.15 0.09 2.00 1.48 0.00 0.00 0.00 173.10 176.82 1mwa h SER 108 N -1.15 0.00 -5.00 1.64 4.64 -1.87 -3.44 113.55 108.37 1mwa h SER 108 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1mwa h SER 108 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1mwa h SER 108 CO 0.62 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 1mwa n GLY 109 N -0.76 2.42 3.00 -0.77 0.00 -1.26 -5.04 105.19 102.78 1mwa n GLY 109 Ca -0.02 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 1mwa n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mwa s THR 110 N -2.27 1.55 -0.17 2.61 2.01 -0.56 -4.56 115.64 114.26 1mwa s THR 110 Ca 0.00 -0.70 -0.25 0.00 0.31 0.00 0.00 61.69 61.05 1mwa s THR 110 Cb 0.00 -1.50 -0.02 0.00 0.01 0.00 0.00 72.50 70.99 1mwa s THR 110 CO 0.00 0.38 0.82 -0.75 -0.69 0.00 0.00 174.62 174.38 1mwa s LYS 111 N 1.48 4.29 -0.25 4.92 2.20 -0.49 -1.37 119.74 130.53 1mwa s LYS 111 Ca 0.03 1.00 -0.09 0.00 -0.36 0.00 0.00 55.97 56.55 1mwa s LYS 111 Cb -0.14 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 1mwa s LYS 111 CO -0.10 -0.32 0.13 0.08 -0.36 0.00 0.00 175.35 174.78 1mwa s VAL 112 N 2.14 4.92 -0.29 4.02 1.01 0.52 -0.68 120.40 132.03 1mwa s VAL 112 Ca 0.38 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 1mwa s VAL 112 Cb -0.17 -3.31 0.03 0.00 0.00 0.00 0.00 36.38 32.94 1mwa s VAL 112 CO 0.12 0.32 0.02 -0.63 0.00 0.00 0.00 175.10 174.94 1mwa s ILE 113 N 1.41 3.41 -0.28 2.22 1.09 0.70 -2.44 121.20 127.31 1mwa s ILE 113 Ca 0.06 -1.00 -0.06 0.00 -1.10 0.00 0.00 60.65 58.54 1mwa s ILE 113 Cb -0.15 -2.82 -0.00 0.00 -1.06 0.00 0.00 42.46 38.43 1mwa s ILE 113 CO 0.06 0.04 0.06 0.54 -0.10 0.00 0.00 174.94 175.54 1mwa s VAL 114 N 1.38 3.95 -0.20 2.92 0.11 -1.25 -0.62 120.40 126.69 1mwa s VAL 114 Ca -0.00 -0.57 -0.29 0.00 -2.93 0.00 0.00 61.98 58.19 1mwa s VAL 114 Cb -0.18 -2.97 -0.02 0.00 -1.53 0.00 0.00 36.38 31.68 1mwa s VAL 114 CO -0.00 0.18 1.40 -0.76 -3.33 0.00 0.00 175.10 172.58 1mwa s LEU 115 N 1.52 4.06 0.50 2.54 1.43 0.91 -4.53 118.68 125.10 1mwa s LEU 115 Ca 0.04 1.62 -0.21 0.00 -1.03 0.00 0.00 54.13 54.55 1mwa s LEU 115 Cb -0.16 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.45 1mwa s LEU 115 CO 0.02 -0.97 1.09 -2.16 0.23 0.00 0.00 176.35 174.56 1mwa s PRO 116 N 3.98 3.66 -0.23 1.29 0.04 -1.26 -0.58 135.00 141.90 1mwa s PRO 116 Ca 0.61 1.52 -0.08 0.00 0.04 0.00 0.00 61.00 63.09 1mwa s PRO 116 Cb -0.23 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 1mwa s PRO 116 CO 0.22 -0.58 0.07 1.52 0.04 0.00 0.00 177.00 178.27 1mwa s TYR 117 N -1.82 3.14 -0.42 0.56 -0.85 -1.26 -4.57 117.35 112.13 1mwa s TYR 117 Ca 0.68 -0.20 -0.22 0.00 -0.52 0.00 0.00 57.07 56.81 1mwa s TYR 117 Cb -0.21 -2.19 0.02 0.00 0.38 0.00 0.00 41.96 39.96 1mwa s TYR 117 CO 0.25 -0.16 0.73 0.42 -1.52 0.00 0.00 175.55 175.27 1mwa s ILE 118 N 1.18 4.73 0.17 -3.49 -1.09 -1.26 -4.95 121.20 116.49 1mwa s ILE 118 Ca 0.05 0.44 -0.14 0.00 -2.23 0.00 0.00 60.65 58.76 1mwa s ILE 118 Cb -0.14 -4.25 0.06 0.00 -1.58 0.00 0.00 42.46 36.55 1mwa s ILE 118 CO 0.04 -0.60 1.75 1.56 -1.23 0.00 0.00 174.94 176.46 1mwa h GLN 119 N 8.82 0.32 -2.61 2.79 4.20 -1.96 -3.34 115.11 123.32 1mwa h GLN 119 Ca -0.25 -0.02 -0.60 0.00 0.06 0.00 0.00 58.65 57.84 1mwa h GLN 119 Cb 1.09 -0.07 -0.40 0.00 0.30 0.00 0.00 27.48 28.40 1mwa h GLN 119 CO 0.92 0.21 -0.77 0.09 -0.67 0.00 0.00 178.83 178.62 1mwa n ASN 120 N -5.00 1.63 -4.66 1.46 3.02 -1.26 -5.11 115.26 105.34 1mwa n ASN 120 Ca 0.03 -2.90 -0.37 0.00 -0.03 0.00 0.00 54.58 51.32 1mwa n ASN 120 Cb 0.17 -0.66 0.07 0.00 -0.61 0.00 0.00 39.78 38.74 1mwa n ASN 120 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1mwa n PRO 121 N 2.06 0.82 -2.82 3.52 -0.04 -1.26 -4.93 135.00 132.35 1mwa n PRO 121 Ca 0.25 0.33 -0.11 0.00 -0.04 0.00 0.00 63.50 63.93 1mwa n PRO 121 Cb 0.42 -2.34 0.02 0.00 -0.04 0.00 0.00 33.50 31.56 1mwa n PRO 121 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1mwa n GLU 122 N -1.75 1.09 -1.41 0.54 1.02 0.87 -5.01 120.64 115.99 1mwa n GLU 122 Ca 0.14 -3.08 -0.48 0.00 -0.02 0.00 0.00 57.16 53.73 1mwa n GLU 122 Cb 0.48 -1.24 -0.13 0.00 -0.02 0.00 0.00 31.44 30.53 1mwa n GLU 122 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1mwa n PRO 123 N 0.00 0.14 -4.40 3.49 -0.04 -1.13 -4.72 135.00 128.34 1mwa n PRO 123 Ca 0.12 0.02 -0.23 0.00 -0.04 0.00 0.00 63.50 63.37 1mwa n PRO 123 Cb 0.77 -1.69 -0.11 0.00 -0.04 0.00 0.00 33.50 32.43 1mwa n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mwa s ALA 124 N 8.03 2.36 -0.50 0.55 0.00 -0.35 -2.45 121.76 129.41 1mwa s ALA 124 Ca 1.26 -1.67 0.04 0.00 0.00 0.00 0.00 51.96 51.59 1mwa s ALA 124 Cb -1.25 -0.23 0.17 0.00 0.00 0.00 0.00 23.12 21.82 1mwa s ALA 124 CO 0.53 0.27 0.40 0.28 0.00 0.00 0.00 175.76 177.24 1mwa n VAL 125 N -0.10 -0.35 -1.91 0.00 0.31 -1.06 -0.68 118.33 114.55 1mwa n VAL 125 Ca -0.10 -3.88 -0.32 0.00 -0.01 0.00 0.00 64.34 60.03 1mwa n VAL 125 Cb 0.58 -1.82 0.02 0.00 -0.91 0.00 0.00 33.84 31.72 1mwa n VAL 125 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1mwa s TYR 126 N -0.45 2.94 -0.22 3.52 1.51 -0.16 -4.63 117.35 119.87 1mwa s TYR 126 Ca 0.31 1.51 -0.08 0.00 -1.01 0.00 0.00 57.07 57.79 1mwa s TYR 126 Cb 0.02 -3.01 -0.04 0.00 -0.11 0.00 0.00 41.96 38.82 1mwa s TYR 126 CO -0.19 -1.24 0.09 0.00 -1.11 0.00 0.00 175.55 173.11 1mwa s ALA 127 N -2.54 3.39 0.06 3.71 0.00 -1.26 -0.73 121.76 124.39 1mwa s ALA 127 Ca 0.63 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.76 1mwa s ALA 127 Cb -0.16 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.84 1mwa s ALA 127 CO 0.41 -0.13 -0.19 -0.51 0.00 0.00 0.00 175.76 175.34 1mwa s LEU 128 N 0.95 2.20 0.14 0.00 1.02 -1.01 -4.85 118.68 117.13 1mwa s LEU 128 Ca 0.05 -0.54 0.06 0.00 0.02 0.00 0.00 54.13 53.71 1mwa s LEU 128 Cb -0.14 -0.84 -0.04 0.00 0.02 0.00 0.00 46.19 45.19 1mwa s LEU 128 CO 0.03 0.10 -0.13 -1.59 0.02 0.00 0.00 176.35 174.78 1mwa s LYS 129 N -1.34 1.08 -0.40 1.70 -2.85 -1.26 -4.05 119.74 112.62 1mwa s LYS 129 Ca 0.05 -1.35 -0.22 0.00 -1.00 0.00 0.00 55.97 53.45 1mwa s LYS 129 Cb -0.09 -0.86 0.01 0.00 -2.06 0.00 0.00 37.83 34.83 1mwa s LYS 129 CO 0.02 0.15 0.72 0.34 0.10 0.00 0.00 175.35 176.68 1mwa s ASP 132 N -2.78 6.44 0.18 0.03 2.15 -1.26 -4.94 116.67 116.48 1mwa s ASP 132 Ca 0.13 0.04 0.16 0.00 0.43 0.00 0.00 52.55 53.32 1mwa s ASP 132 Cb -0.02 -2.36 0.77 0.00 -0.30 0.00 0.00 42.92 41.01 1mwa s ASP 132 CO 0.03 -0.76 1.50 -0.81 -0.17 0.00 0.00 175.17 174.96 1mwa n PRO 133 N 6.39 0.10 -0.02 4.34 -0.04 -1.26 -1.89 135.00 142.62 1mwa n PRO 133 Ca 0.01 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 1mwa n PRO 133 Cb 0.48 -1.76 -0.13 0.00 -0.04 0.00 0.00 33.50 32.06 1mwa n PRO 133 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1mwa n ARG 134 N -1.96 0.65 -3.87 0.54 1.74 -1.26 -4.78 116.66 107.72 1mwa n ARG 134 Ca 0.01 0.04 -0.36 0.00 -0.77 0.00 0.00 57.85 56.77 1mwa n ARG 134 Cb 0.10 -1.65 -0.14 0.00 -1.02 0.00 0.00 32.46 29.76 1mwa n ARG 134 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1mwa s SER 135 N -5.35 4.69 0.22 0.55 0.15 -0.79 -5.08 113.70 108.08 1mwa s SER 135 Ca -0.06 -0.81 -0.30 0.00 0.70 0.00 0.00 55.95 55.48 1mwa s SER 135 Cb 0.09 -1.76 -0.09 0.00 -1.71 0.00 0.00 66.02 62.55 1mwa s SER 135 CO 0.84 -0.16 1.24 -1.58 1.20 0.00 0.00 173.24 174.79 1mwa s GLN 136 N 1.40 4.45 -1.13 5.44 2.00 -1.26 -3.27 119.66 127.29 1mwa s GLN 136 Ca 0.01 1.98 -0.06 0.00 -2.00 0.00 0.00 55.36 55.30 1mwa s GLN 136 Cb -0.17 -3.19 0.01 0.00 0.80 0.00 0.00 33.01 30.45 1mwa s GLN 136 CO -0.01 -0.13 0.98 -3.47 -0.50 0.00 0.00 175.29 172.16 1mwa n ASP 137 N 2.19 -4.74 -4.36 6.67 -0.08 -1.26 -4.97 116.55 110.00 1mwa n ASP 137 Ca 0.04 -0.49 -0.45 0.00 -1.51 0.00 0.00 54.79 52.38 1mwa n ASP 137 Cb 0.44 -4.44 -0.06 0.00 2.34 0.00 0.00 41.12 39.40 1mwa n ASP 137 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1mwa s SER 138 N -3.53 6.18 0.85 1.67 1.04 -1.20 -5.07 113.70 113.64 1mwa s SER 138 Ca 0.37 -1.49 -0.11 0.00 0.48 0.00 0.00 55.95 55.20 1mwa s SER 138 Cb -0.16 -2.22 0.10 0.00 0.10 0.00 0.00 66.02 63.84 1mwa s SER 138 CO 0.63 -0.82 1.09 0.28 0.98 0.00 0.00 173.24 175.40 1mwa s THR 139 N 1.87 2.88 0.00 2.02 -1.32 -1.26 -4.11 115.64 115.72 1mwa s THR 139 Ca 0.06 0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.82 1mwa s THR 139 Cb -0.26 -2.72 0.00 0.00 -1.51 0.00 0.00 72.50 68.01 1mwa s THR 139 CO 0.06 -0.37 0.00 -0.11 -2.21 0.00 0.00 174.62 171.98 1mwa n LEU 140 N -3.79 0.00 -4.60 9.08 0.00 -1.25 -4.83 117.00 111.61 1mwa n LEU 140 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 56.01 55.75 1mwa n LEU 140 Cb 0.54 0.00 -0.11 0.00 0.00 0.00 0.00 43.42 43.85 1mwa n LEU 140 CO 0.54 0.00 -0.36 0.00 0.00 0.00 0.00 177.39 177.57 1mwa s LEU 142 N -0.70 4.30 -0.37 0.00 2.96 0.09 -1.60 118.68 123.36 1mwa s LEU 142 Ca 0.11 -1.22 -0.19 0.00 -0.22 0.00 0.00 54.13 52.61 1mwa s LEU 142 Cb -0.11 -1.84 0.00 0.00 0.50 0.00 0.00 46.19 44.74 1mwa s LEU 142 CO 0.02 -0.33 0.56 0.12 -1.32 0.00 0.00 176.35 175.40 1mwa s PHE 143 N 1.36 3.15 0.13 5.38 5.99 0.30 -0.98 117.98 133.32 1mwa s PHE 143 Ca -0.02 0.16 -0.05 0.00 0.00 0.00 0.00 56.93 57.02 1mwa s PHE 143 Cb -0.20 -3.04 -0.02 0.00 0.00 0.00 0.00 43.02 39.76 1mwa s PHE 143 CO 0.02 -0.62 0.17 -0.08 -0.00 0.00 0.00 175.22 174.70 1mwa s THR 144 N 2.53 0.10 -0.86 0.12 -1.32 0.15 -0.90 115.64 115.45 1mwa s THR 144 Ca 0.20 -1.57 0.00 0.00 -1.21 0.00 0.00 61.69 59.11 1mwa s THR 144 Cb -0.15 -1.81 0.00 0.00 -1.51 0.00 0.00 72.50 69.03 1mwa s THR 144 CO 0.15 -0.47 0.00 0.47 -2.21 0.00 0.00 174.62 172.56 1mwa n ASP 145 N -0.12 -4.20 -4.39 8.08 8.00 -1.13 -1.22 116.55 121.57 1mwa n ASP 145 Ca -0.08 0.20 -0.27 0.00 0.71 0.00 0.00 54.79 55.35 1mwa n ASP 145 Cb 0.63 -2.41 0.15 0.00 -0.02 0.00 0.00 41.12 39.47 1mwa n ASP 145 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1mwa s PHE 146 N -2.23 1.61 0.46 1.24 -0.12 -1.26 -0.09 117.98 117.60 1mwa s PHE 146 Ca 0.00 0.05 -0.21 0.00 -0.05 0.00 0.00 56.93 56.72 1mwa s PHE 146 Cb 0.00 -3.60 -0.09 0.00 -0.63 0.00 0.00 43.02 38.71 1mwa s PHE 146 CO 0.00 -2.21 1.04 0.34 -0.05 0.00 0.00 175.22 174.35 1mwa s ASP 147 N -4.82 6.46 0.36 1.98 2.15 -1.26 -4.50 116.67 117.05 1mwa s ASP 147 Ca 0.70 1.97 0.25 0.00 0.43 0.00 0.00 52.55 55.90 1mwa s ASP 147 Cb -0.05 -2.57 0.59 0.00 -0.30 0.00 0.00 42.92 40.60 1mwa s ASP 147 CO 0.49 -0.70 1.70 0.28 -0.17 0.00 0.00 175.17 176.77 1mwa h SER 148 N 1.84 0.00 0.19 -0.34 0.02 -1.94 -3.26 113.55 110.07 1mwa h SER 148 Ca -0.49 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.12 1mwa h SER 148 Cb 1.22 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.77 1mwa h SER 148 CO 0.60 0.00 -1.65 1.56 -1.14 0.00 0.00 176.83 176.20 1mwa h GLN 149 N 0.00 0.41 -6.91 3.45 1.08 -1.92 -3.47 115.11 107.75 1mwa h GLN 149 Ca 0.00 -0.70 -0.48 0.00 -1.45 0.00 0.00 58.65 56.02 1mwa h GLN 149 Cb 0.85 0.26 0.22 0.00 -0.05 0.00 0.00 27.48 28.77 1mwa h GLN 149 CO 0.00 1.34 -0.49 1.51 -0.95 0.00 0.00 178.83 180.24 1mwa n ILE 150 N -3.66 0.00 -4.23 2.54 0.13 -1.23 -4.99 119.36 107.91 1mwa n ILE 150 Ca -0.23 -0.26 -0.34 0.00 -1.10 0.00 0.00 62.75 60.82 1mwa n ILE 150 Cb 1.06 -0.77 -0.15 0.00 -0.84 0.00 0.00 39.64 38.94 1mwa n ILE 150 CO 0.00 0.00 0.00 0.20 2.80 0.00 0.00 176.55 179.55 1mwa s ASN 151 N -2.15 3.59 -0.20 9.51 0.01 -1.26 -4.98 114.94 119.46 1mwa s ASN 151 Ca 0.61 -0.52 -0.29 0.00 -0.71 0.00 0.00 52.86 51.94 1mwa s ASN 151 Cb -0.19 -1.57 0.00 0.00 0.41 0.00 0.00 41.25 39.90 1mwa s ASN 151 CO 0.65 0.03 1.06 -0.69 -1.51 0.00 0.00 177.10 176.64 1mwa s VAL 152 N 1.16 4.64 0.87 1.60 1.01 -1.26 -5.02 120.40 123.39 1mwa s VAL 152 Ca 0.01 1.97 -0.10 0.00 0.00 0.00 0.00 61.98 63.86 1mwa s VAL 152 Cb -0.14 -4.27 0.12 0.00 0.00 0.00 0.00 36.38 32.09 1mwa s VAL 152 CO -0.06 -0.14 1.12 -2.16 0.00 0.00 0.00 175.10 173.86 1mwa s PRO 153 N 3.03 1.44 0.43 2.72 0.04 -1.26 -4.99 135.00 136.41 1mwa s PRO 153 Ca 0.46 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1mwa s PRO 153 Cb -0.17 -1.79 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 1mwa s PRO 153 CO 0.09 -2.28 0.00 0.36 0.04 0.00 0.00 177.00 175.22 1mwa n LYS 154 N -3.98 0.96 -2.97 4.56 2.85 -1.26 -4.93 118.16 113.39 1mwa n LYS 154 Ca 0.11 -3.11 -0.38 0.00 -1.05 0.00 0.00 58.31 53.87 1mwa n LYS 154 Cb 0.52 0.86 -0.06 0.00 -0.65 0.00 0.00 35.03 35.70 1mwa n LYS 154 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1mwa s THR 155 N -2.55 4.37 -0.20 0.58 -1.32 -1.26 -4.98 115.64 110.27 1mwa s THR 155 Ca 0.01 1.65 0.14 0.00 -1.21 0.00 0.00 61.69 62.28 1mwa s THR 155 Cb 0.00 -4.07 0.45 0.00 -1.51 0.00 0.00 72.50 67.37 1mwa s THR 155 CO 0.00 0.40 1.34 1.15 -2.21 0.00 0.00 174.62 175.30 1mwa n MET 156 N 1.25 2.02 -2.82 7.08 0.00 -1.26 -5.04 117.12 118.35 1mwa n MET 156 Ca -0.04 -2.94 -0.00 0.00 0.00 0.00 0.00 57.70 54.72 1mwa n MET 156 Cb 0.49 -1.72 0.01 0.00 0.00 0.00 0.00 33.22 32.00 1mwa n MET 156 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1mwa n GLU 157 N -1.00 0.23 -2.34 3.17 0.00 -1.26 -5.16 120.64 114.28 1mwa n GLU 157 Ca 0.23 -0.61 -0.25 0.00 0.00 0.00 0.00 57.16 56.54 1mwa n GLU 157 Cb 0.85 0.88 0.08 0.00 0.00 0.00 0.00 31.44 33.25 1mwa n GLU 157 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1mwa s SER 158 N -2.36 4.63 0.00 -1.84 0.01 -1.26 -4.33 113.70 108.55 1mwa s SER 158 Ca 0.14 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.57 1mwa s SER 158 Cb -0.01 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.47 1mwa s SER 158 CO 0.01 -1.68 0.00 0.61 0.41 0.00 0.00 173.24 172.59 1mwa n GLY 159 N -2.88 1.24 3.93 3.44 0.00 -1.26 -4.95 105.19 104.72 1mwa n GLY 159 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1mwa n GLY 159 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mwa s THR 160 N 0.00 5.17 -0.17 2.61 2.01 -1.26 -3.34 115.64 120.66 1mwa s THR 160 Ca 0.00 -0.39 -0.16 0.00 0.31 0.00 0.00 61.69 61.45 1mwa s THR 160 Cb 0.00 -3.77 0.04 0.00 0.01 0.00 0.00 72.50 68.79 1mwa s THR 160 CO 0.00 -0.27 0.46 0.12 -0.69 0.00 0.00 174.62 174.24 1mwa s PHE 161 N -1.97 -0.51 0.02 4.92 2.19 -0.94 -4.91 117.98 116.78 1mwa s PHE 161 Ca 0.39 1.23 0.01 0.00 0.33 0.00 0.00 56.93 58.89 1mwa s PHE 161 Cb -0.11 0.17 -0.01 0.00 -1.31 0.00 0.00 43.02 41.76 1mwa s PHE 161 CO 0.30 -0.24 -0.05 0.42 1.83 0.00 0.00 175.22 177.48 1mwa s ILE 162 N 0.26 0.33 0.17 3.12 1.01 -1.26 -2.29 121.20 122.55 1mwa s ILE 162 Ca -0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 1mwa s ILE 162 Cb -0.03 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 42.01 1mwa s ILE 162 CO 0.00 -0.22 0.38 0.42 0.00 0.00 0.00 174.94 175.51 1mwa s THR 163 N -0.87 5.20 0.90 2.92 -4.23 0.48 -4.84 115.64 115.19 1mwa s THR 163 Ca -0.07 -0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 60.16 1mwa s THR 163 Cb -0.06 -3.67 0.13 0.00 1.34 0.00 0.00 72.50 70.23 1mwa s THR 163 CO -0.00 -0.06 1.09 -1.81 -0.54 0.00 0.00 174.62 173.30 1mwa s ASP 164 N -2.78 3.37 0.77 3.99 1.01 -1.26 -4.38 116.67 117.39 1mwa s ASP 164 Ca 0.40 1.65 -0.15 0.00 0.71 0.00 0.00 52.55 55.16 1mwa s ASP 164 Cb -0.12 -2.31 0.02 0.00 1.01 0.00 0.00 42.92 41.52 1mwa s ASP 164 CO 0.27 -2.73 0.84 0.00 0.21 0.00 0.00 175.17 173.76 1mwa n ALA 165 N -3.96 -0.80 -3.30 5.23 0.00 -1.26 -4.68 120.51 111.74 1mwa n ALA 165 Ca 0.08 -0.28 -0.14 0.00 0.00 0.00 0.00 53.44 53.09 1mwa n ALA 165 Cb 0.54 -2.04 -0.09 0.00 0.00 0.00 0.00 19.45 17.87 1mwa n ALA 165 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1mwa s THR 166 N -1.98 0.03 -0.03 0.00 -4.23 -1.01 -4.94 115.64 103.48 1mwa s THR 166 Ca 0.69 -0.28 -0.00 0.00 -1.18 0.00 0.00 61.69 60.92 1mwa s THR 166 Cb -0.32 -0.66 -0.04 0.00 1.34 0.00 0.00 72.50 72.82 1mwa s THR 166 CO 0.54 -0.16 0.02 -0.69 -0.54 0.00 0.00 174.62 173.80 1mwa s VAL 167 N -0.91 4.39 0.05 2.29 1.01 -1.26 -1.48 120.40 124.48 1mwa s VAL 167 Ca -0.10 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1mwa s VAL 167 Cb -0.04 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1mwa s VAL 167 CO 0.04 0.45 -0.14 -0.22 0.00 0.00 0.00 175.10 175.23 1mwa s LEU 168 N -1.36 2.19 -0.04 3.92 0.20 -1.01 -4.97 118.68 117.61 1mwa s LEU 168 Ca 0.18 -0.49 -0.01 0.00 0.69 0.00 0.00 54.13 54.50 1mwa s LEU 168 Cb -0.12 -0.60 0.03 0.00 -0.43 0.00 0.00 46.19 45.07 1mwa s LEU 168 CO 0.08 0.02 0.04 -0.62 -0.29 0.00 0.00 176.35 175.58 1mwa s ASP 169 N -1.25 1.09 0.05 3.68 2.15 -1.26 -1.86 116.67 119.28 1mwa s ASP 169 Ca 0.01 0.03 -0.09 0.00 0.43 0.00 0.00 52.55 52.93 1mwa s ASP 169 Cb -0.08 -0.21 -0.05 0.00 -0.30 0.00 0.00 42.92 42.27 1mwa s ASP 169 CO 0.01 -0.21 0.36 -0.04 -0.17 0.00 0.00 175.17 175.12 1mwa s MET 170 N 1.93 3.72 0.00 4.34 -1.94 -1.17 -4.98 119.30 121.20 1mwa s MET 170 Ca 0.02 0.12 0.00 0.00 -1.71 0.00 0.00 55.69 54.13 1mwa s MET 170 Cb -0.12 -3.04 0.00 0.00 2.01 0.00 0.00 34.83 33.67 1mwa s MET 170 CO -0.03 0.60 0.60 1.63 -0.01 0.00 0.00 175.02 177.81 1mwa n LYS 171 N 1.07 0.71 -3.56 2.03 5.02 -1.26 -4.28 118.16 117.88 1mwa n LYS 171 Ca -0.10 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.86 1mwa n LYS 171 Cb 0.52 -1.21 -0.07 0.00 -0.02 0.00 0.00 35.03 34.26 1mwa n LYS 171 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mwa n ALA 172 N 0.49 3.96 -0.83 7.82 0.00 -1.26 -5.04 120.51 125.64 1mwa n ALA 172 Ca 0.00 -4.65 0.00 0.00 0.00 0.00 0.00 53.44 48.79 1mwa n ALA 172 Cb 0.30 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1mwa n ALA 172 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1mwa n MET 173 N 1.84 0.00 -1.89 0.00 1.56 -1.26 -4.26 117.12 113.10 1mwa n MET 173 Ca 0.24 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.24 1mwa n MET 173 Cb 0.37 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.71 1mwa n MET 173 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1mwa s ASP 174 N -4.00 6.50 -0.05 6.12 -1.08 -1.26 -4.79 116.67 118.10 1mwa s ASP 174 Ca 0.00 2.28 0.18 0.00 -0.52 0.00 0.00 52.55 54.50 1mwa s ASP 174 Cb 0.00 -2.53 0.33 0.00 -1.46 0.00 0.00 42.92 39.26 1mwa s ASP 174 CO 0.00 -1.06 1.14 -1.20 0.52 0.00 0.00 175.17 174.57 1mwa n SER 175 N 7.68 0.44 -4.83 -0.34 7.64 -1.26 -5.01 113.62 117.93 1mwa n SER 175 Ca 0.19 -2.02 -0.32 0.00 1.01 0.00 0.00 58.87 57.73 1mwa n SER 175 Cb 0.43 -0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.47 1mwa n SER 175 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1mwa s LYS 176 N -0.50 3.91 -0.29 1.43 1.02 -1.25 -3.07 119.74 120.99 1mwa s LYS 176 Ca 0.23 1.02 -0.18 0.00 0.02 0.00 0.00 55.97 57.07 1mwa s LYS 176 Cb 0.29 -2.13 0.15 0.00 -0.52 0.00 0.00 37.83 35.62 1mwa s LYS 176 CO -0.11 -0.30 1.02 -1.54 -0.92 0.00 0.00 175.35 173.50 1mwa s SER 177 N -2.88 -0.45 0.73 2.83 1.04 -0.77 -4.97 113.70 109.23 1mwa s SER 177 Ca 0.60 0.75 -0.11 0.00 0.48 0.00 0.00 55.95 57.67 1mwa s SER 177 Cb -0.11 1.11 0.03 0.00 0.10 0.00 0.00 66.02 67.15 1mwa s SER 177 CO 0.29 -0.12 1.08 0.20 0.98 0.00 0.00 173.24 175.67 1mwa s ASN 178 N 1.12 5.07 -0.14 7.02 -0.87 -1.26 -2.39 114.94 123.49 1mwa s ASN 178 Ca -0.07 1.44 -0.25 0.00 -1.57 0.00 0.00 52.86 52.41 1mwa s ASN 178 Cb -0.04 -2.27 0.06 0.00 -0.02 0.00 0.00 41.25 38.99 1mwa s ASN 178 CO -0.13 -1.62 0.63 -0.83 -2.57 0.00 0.00 177.10 172.58 1mwa s GLY 179 N -3.90 -0.49 -0.02 0.66 0.00 -0.55 -2.85 107.32 100.17 1mwa s GLY 179 Ca 0.59 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.77 1mwa s GLY 179 CO 0.54 1.16 -0.00 0.00 0.00 0.00 0.00 173.10 174.81 1mwa s ALA 180 N -0.48 0.22 -0.03 3.20 0.00 -0.08 -2.41 121.76 122.18 1mwa s ALA 180 Ca -0.06 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.05 1mwa s ALA 180 Cb -0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 1mwa s ALA 180 CO 0.05 -0.04 -0.16 0.42 0.00 0.00 0.00 175.76 176.04 1mwa s ILE 181 N 0.65 2.93 0.04 0.00 1.01 -1.26 -0.54 121.20 124.03 1mwa s ILE 181 Ca -0.06 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 59.73 1mwa s ILE 181 Cb -0.09 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 1mwa s ILE 181 CO -0.01 0.53 -0.03 0.00 0.00 0.00 0.00 174.94 175.43 1mwa s ALA 182 N -0.77 0.36 0.09 9.38 0.00 -0.63 -0.39 121.76 129.81 1mwa s ALA 182 Ca 0.12 -0.95 -0.25 0.00 0.00 0.00 0.00 51.96 50.88 1mwa s ALA 182 Cb -0.11 0.21 0.08 0.00 0.00 0.00 0.00 23.12 23.30 1mwa s ALA 182 CO 0.02 -0.27 0.67 1.67 0.00 0.00 0.00 175.76 177.85 1mwa s TRP 183 N -2.84 -0.52 -0.10 0.00 -2.14 -0.97 0.46 118.94 112.84 1mwa s TRP 183 Ca -0.03 0.42 -0.15 0.00 2.66 0.00 0.00 56.10 59.00 1mwa s TRP 183 Cb 0.00 0.53 0.04 0.00 -3.10 0.00 0.00 33.47 30.94 1mwa s TRP 183 CO -0.06 -0.75 0.39 -1.54 -2.66 0.00 0.00 176.95 172.33 1mwa s SER 184 N -2.45 -0.36 0.32 -2.66 1.04 -1.26 -2.21 113.70 106.12 1mwa s SER 184 Ca 0.00 0.57 0.26 0.00 0.48 0.00 0.00 55.95 57.26 1mwa s SER 184 Cb -0.01 0.64 0.89 0.00 0.10 0.00 0.00 66.02 67.64 1mwa s SER 184 CO -0.09 -0.27 1.76 -0.55 0.98 0.00 0.00 173.24 175.08 1mwa h ASN 185 N 4.83 0.00 -1.29 7.02 -1.07 -1.94 -3.46 115.58 119.67 1mwa h ASN 185 Ca -0.28 0.00 -0.70 0.00 0.07 0.00 0.00 56.30 55.40 1mwa h ASN 185 Cb 1.18 0.00 0.09 0.00 -2.07 0.00 0.00 38.32 37.51 1mwa h ASN 185 CO 0.31 0.00 -0.14 0.00 0.07 0.00 0.00 177.43 177.67 1mwa n GLN 186 N -2.52 0.33 -0.15 4.14 6.02 -1.26 -4.83 117.38 119.12 1mwa n GLN 186 Ca 0.03 0.12 -0.07 0.00 -0.01 0.00 0.00 57.00 57.07 1mwa n GLN 186 Cb 0.36 -1.40 -0.01 0.00 1.02 0.00 0.00 30.24 30.21 1mwa n GLN 186 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1mwa h THR 187 N 2.02 0.20 -1.52 5.09 1.35 -2.04 -3.44 112.91 114.57 1mwa h THR 187 Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1mwa h THR 187 Cb 1.41 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1mwa h THR 187 CO 0.62 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.69 1mwa n SER 188 N -5.42 0.53 -0.87 5.36 7.64 -1.26 -5.09 113.62 114.50 1mwa n SER 188 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1mwa n SER 188 Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1mwa n SER 188 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1mwa n PHE 189 N 0.00 0.00 -0.84 1.43 3.72 -1.26 -4.99 117.46 115.52 1mwa n PHE 189 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1mwa n PHE 189 Cb 0.00 -1.36 0.00 0.00 -0.94 0.00 0.00 39.48 37.18 1mwa n PHE 189 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1mwa n THR 190 N 0.60 0.00 -0.02 4.37 5.66 -1.26 -4.95 114.28 118.68 1mwa n THR 190 Ca 0.00 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.84 1mwa n THR 190 Cb 0.00 -0.75 -0.10 0.00 -1.55 0.00 0.00 70.33 67.93 1mwa n THR 190 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1mwa h GLN 192 N -0.21 -0.10 0.00 0.00 3.07 -1.92 0.34 115.11 116.30 1mwa h GLN 192 Ca -0.04 0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.71 1mwa h GLN 192 Cb 1.06 0.02 -0.00 0.00 0.08 0.00 0.00 27.48 28.64 1mwa h GLN 192 CO 0.08 -0.06 -0.00 -0.44 0.09 0.00 0.00 178.83 178.49 1mwa h ASP 193 N -0.10 0.00 0.15 0.06 3.32 -1.95 -1.88 116.42 116.02 1mwa h ASP 193 Ca 0.19 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.88 1mwa h ASP 193 Cb 0.39 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1mwa h ASP 193 CO -0.45 0.00 -2.02 0.00 -1.72 0.00 0.00 179.24 175.05 1mwa n ILE 194 N -4.37 1.74 -2.04 0.35 0.13 -0.29 -4.34 119.36 110.55 1mwa n ILE 194 Ca -0.03 -0.66 -0.35 0.00 -1.10 0.00 0.00 62.75 60.61 1mwa n ILE 194 Cb 0.09 -1.63 0.03 0.00 -0.84 0.00 0.00 39.64 37.29 1mwa n ILE 194 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 1mwa n PHE 195 N -3.42 3.12 -0.22 9.51 3.01 0.10 -4.85 117.46 124.72 1mwa n PHE 195 Ca -0.32 -2.62 0.30 0.00 1.01 0.00 0.00 57.45 55.82 1mwa n PHE 195 Cb 1.04 -0.84 0.55 0.00 -0.01 0.00 0.00 39.48 40.22 1mwa n PHE 195 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1mwa h LYS 196 N 2.74 0.00 -3.57 -1.08 2.10 -1.53 -3.28 116.57 111.95 1mwa h LYS 196 Ca 0.48 0.00 -0.69 0.00 -2.00 0.00 0.00 60.65 58.45 1mwa h LYS 196 Cb 0.44 0.00 -0.36 0.00 -0.90 0.00 0.00 32.23 31.40 1mwa h LYS 196 CO 1.24 0.00 -0.41 -1.21 -2.00 0.00 0.00 179.45 177.08 1mwa s GLU 197 N -4.53 2.47 0.00 0.07 0.41 -1.26 -4.97 118.70 110.88 1mwa s GLU 197 Ca -0.03 -2.54 0.00 0.00 -0.41 0.00 0.00 54.97 51.98 1mwa s GLU 197 Cb 0.16 -3.67 0.00 0.00 -1.78 0.00 0.00 34.13 28.84 1mwa s GLU 197 CO 0.54 -1.16 0.00 0.25 -0.49 0.00 0.00 175.26 174.40 1mwa n THR 198 N 3.43 0.00 0.00 3.63 -2.24 -1.24 -4.99 114.28 112.87 1mwa n THR 198 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1mwa n THR 198 Cb 0.37 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1mwa n THR 198 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1mwa n ASN 203 N 0.00 1.42 -4.55 3.42 4.13 -1.25 -5.07 115.26 113.37 1mwa n ASN 203 Ca 0.00 0.00 -0.52 0.00 1.68 0.00 0.00 54.58 55.74 1mwa n ASN 203 Cb 0.00 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.19 1mwa n ASN 203 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1mwa n ALA 204 N -3.00 -1.64 -2.89 5.41 0.00 -1.02 -4.85 120.51 112.51 1mwa n ALA 204 Ca 0.00 0.50 -0.22 0.00 0.00 0.00 0.00 53.44 53.73 1mwa n ALA 204 Cb 0.00 -1.94 -0.02 0.00 0.00 0.00 0.00 19.45 17.49 1mwa n ALA 204 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1mwa n THR 205 N 1.59 1.64 -1.49 0.00 -1.04 -1.26 -2.56 114.28 111.17 1mwa n THR 205 Ca 0.17 -4.79 -0.53 0.00 -2.04 0.00 0.00 64.05 56.87 1mwa n THR 205 Cb 0.20 -0.72 -0.05 0.00 -1.82 0.00 0.00 70.33 67.94 1mwa n THR 205 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1mwa n TYR 206 N -0.10 0.49 -2.99 -1.42 4.02 -1.26 -4.94 117.16 110.95 1mwa n TYR 206 Ca 0.27 0.93 -0.39 0.00 -0.01 0.00 0.00 57.90 58.69 1mwa n TYR 206 Cb 0.59 -2.10 -0.06 0.00 -0.02 0.00 0.00 39.34 37.74 1mwa n TYR 206 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1mwa s PRO 207 N -0.39 4.55 0.00 -0.72 0.04 -1.26 -4.60 135.00 132.62 1mwa s PRO 207 Ca 0.78 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1mwa s PRO 207 Cb -1.05 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1mwa s PRO 207 CO 0.55 0.56 0.58 -1.13 0.04 0.00 0.00 177.00 177.60 1mwa n SER 208 N 1.68 0.22 -4.59 6.66 3.41 -1.26 -4.78 113.62 114.96 1mwa n SER 208 Ca -0.06 -1.39 -0.42 0.00 -0.26 0.00 0.00 58.87 56.75 1mwa n SER 208 Cb 0.49 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 1mwa n SER 208 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1mwa s SER 209 N -0.99 5.46 0.36 4.04 0.01 -1.26 -4.91 113.70 116.42 1mwa s SER 209 Ca 0.00 1.51 -0.23 0.00 1.31 0.00 0.00 55.95 58.53 1mwa s SER 209 Cb 0.00 -2.52 -0.15 0.00 0.21 0.00 0.00 66.02 63.57 1mwa s SER 209 CO 0.00 -2.02 0.40 -0.67 0.41 0.00 0.00 173.24 171.36 1mwa n ASP 210 N 11.82 -1.56 -4.61 2.44 2.03 -1.26 -4.93 116.55 120.48 1mwa n ASP 210 Ca 0.28 0.94 -0.41 0.00 0.52 0.00 0.00 54.79 56.12 1mwa n ASP 210 Cb 0.47 -1.00 -0.07 0.00 -0.72 0.00 0.00 41.12 39.80 1mwa n ASP 210 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1mwa s VAL 211 N -1.42 4.98 0.49 5.18 -7.23 -1.26 -5.04 120.40 116.10 1mwa s VAL 211 Ca 0.62 0.94 -0.22 0.00 -1.81 0.00 0.00 61.98 61.51 1mwa s VAL 211 Cb -0.69 -3.94 -0.08 0.00 0.56 0.00 0.00 36.38 32.22 1mwa s VAL 211 CO 0.59 -0.04 1.00 -2.65 -0.31 0.00 0.00 175.10 173.70 1mwa n PRO 212 N 5.75 1.22 0.00 4.82 -0.02 -1.26 -5.33 135.00 140.18 1mwa n PRO 212 Ca -0.02 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1mwa n PRO 212 Cb 0.49 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1mwa n PRO 212 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48