#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 3.03 -0.10 1.69 1.04 -1.26 -4.68 113.70 113.42 1mwa s SER 2 Ca 0.00 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 55.72 1mwa s SER 2 Cb 0.00 -1.09 -0.02 0.00 0.10 0.00 0.00 66.02 65.01 1mwa s SER 2 CO 0.00 -0.15 -0.15 0.54 0.98 0.00 0.00 173.24 174.47 1mwa s VAL 3 N 1.51 2.93 -0.09 5.02 0.11 -1.26 -2.26 120.40 126.35 1mwa s VAL 3 Ca 0.01 -0.73 0.02 0.00 -2.93 0.00 0.00 61.98 58.35 1mwa s VAL 3 Cb -0.15 -2.19 0.02 0.00 -1.53 0.00 0.00 36.38 32.52 1mwa s VAL 3 CO -0.08 0.55 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.21 1mwa s THR 4 N 0.03 1.32 -0.53 5.04 2.01 0.11 -4.09 115.64 119.53 1mwa s THR 4 Ca -0.05 -0.55 -0.05 0.00 0.31 0.00 0.00 61.69 61.35 1mwa s THR 4 Cb -0.14 -1.22 0.14 0.00 0.01 0.00 0.00 72.50 71.28 1mwa s THR 4 CO 0.04 0.40 0.36 -1.10 -0.69 0.00 0.00 174.62 173.64 1mwa s GLN 5 N 0.95 2.42 0.58 4.92 -0.21 -1.26 -0.87 119.66 126.19 1mwa s GLN 5 Ca -0.08 -2.13 0.27 0.00 0.02 0.00 0.00 55.36 53.44 1mwa s GLN 5 Cb -0.15 -3.76 1.72 0.00 1.00 0.00 0.00 33.01 31.81 1mwa s GLN 5 CO -0.00 -1.15 2.22 -1.35 -2.12 0.00 0.00 175.29 172.88 1mwa h PRO 6 N 7.70 0.00 0.00 2.91 0.11 -1.89 -3.37 132.00 137.46 1mwa h PRO 6 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1mwa h PRO 6 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1mwa h PRO 6 CO 0.74 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.13 1mwa n ASP 7 N -3.95 0.00 0.00 -2.05 3.85 -1.26 -4.82 116.55 108.32 1mwa n ASP 7 Ca -0.02 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.06 1mwa n ASP 7 Cb 0.12 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.89 1mwa n ASP 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1mwa n ALA 8 N -3.00 0.00 -3.15 2.12 0.00 -1.25 -4.77 120.51 110.45 1mwa n ALA 8 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1mwa n ALA 8 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 19.45 19.25 1mwa n ALA 8 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1mwa s ARG 9 N -0.22 0.18 -0.12 0.00 1.04 -1.26 -4.23 118.95 114.34 1mwa s ARG 9 Ca 0.00 0.23 -0.01 0.00 -1.04 0.00 0.00 55.73 54.90 1mwa s ARG 9 Cb 0.00 0.12 -0.03 0.00 -2.04 0.00 0.00 34.95 33.00 1mwa s ARG 9 CO 0.00 -0.28 -0.07 0.08 -0.04 0.00 0.00 175.30 174.99 1mwa s VAL 10 N 2.95 3.65 -0.06 4.99 1.01 0.11 -4.96 120.40 128.08 1mwa s VAL 10 Ca 0.16 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1mwa s VAL 10 Cb -0.05 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 1mwa s VAL 10 CO -0.18 0.54 -0.24 -0.89 0.00 0.00 0.00 175.10 174.32 1mwa s THR 11 N -0.08 2.11 -0.16 3.92 2.01 -1.26 -2.89 115.64 119.29 1mwa s THR 11 Ca 0.01 -1.04 -0.29 0.00 0.31 0.00 0.00 61.69 60.67 1mwa s THR 11 Cb -0.13 -1.77 0.11 0.00 0.01 0.00 0.00 72.50 70.72 1mwa s THR 11 CO 0.03 0.57 0.93 0.54 -0.69 0.00 0.00 174.62 176.00 1mwa s VAL 12 N -0.11 0.00 0.32 3.82 0.11 -1.10 -4.99 120.40 118.45 1mwa s VAL 12 Ca -0.05 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 58.80 1mwa s VAL 12 Cb -0.14 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.61 1mwa s VAL 12 CO 0.04 0.00 0.82 -0.44 -3.33 0.00 0.00 175.10 172.20 1mwa s SER 13 N -0.90 7.01 0.67 3.54 0.01 -1.26 -1.31 113.70 121.46 1mwa s SER 13 Ca -0.03 1.53 -0.16 0.00 1.31 0.00 0.00 55.95 58.59 1mwa s SER 13 Cb -0.01 -2.47 0.01 0.00 0.21 0.00 0.00 66.02 63.76 1mwa s SER 13 CO 0.02 -0.15 1.20 -0.70 0.41 0.00 0.00 173.24 174.03 1mwa s GLU 14 N -2.55 2.53 0.00 12.44 2.12 0.38 -3.01 118.70 130.61 1mwa s GLU 14 Ca 0.52 1.76 0.00 0.00 0.36 0.00 0.00 54.97 57.61 1mwa s GLU 14 Cb -0.13 -1.88 0.00 0.00 0.26 0.00 0.00 34.13 32.38 1mwa s GLU 14 CO 0.19 -1.54 0.00 0.41 -0.54 0.00 0.00 175.26 173.78 1mwa n GLY 15 N 0.36 2.62 0.00 -1.50 0.00 0.14 -4.94 105.19 101.87 1mwa n GLY 15 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1mwa n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mwa n ALA 16 N 0.14 0.00 -2.70 4.61 0.00 -1.16 -4.61 120.51 116.78 1mwa n ALA 16 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1mwa n ALA 16 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1mwa n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1mwa s SER 17 N -1.00 6.53 0.19 0.00 1.04 -1.26 -3.29 113.70 115.91 1mwa s SER 17 Ca 0.00 0.62 0.09 0.00 0.48 0.00 0.00 55.95 57.14 1mwa s SER 17 Cb 0.00 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 63.97 1mwa s SER 17 CO 0.00 0.21 -0.06 -0.22 0.98 0.00 0.00 173.24 174.15 1mwa s LEU 18 N -1.89 3.09 -0.38 2.42 2.96 -1.26 -4.99 118.68 118.63 1mwa s LEU 18 Ca 0.30 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1mwa s LEU 18 Cb -0.13 -1.74 0.18 0.00 0.50 0.00 0.00 46.19 45.00 1mwa s LEU 18 CO 0.18 0.09 0.78 -1.58 -1.32 0.00 0.00 176.35 174.49 1mwa s GLN 19 N -2.97 0.58 -1.04 1.98 -0.44 -1.26 -3.47 119.66 113.04 1mwa s GLN 19 Ca 0.26 -0.16 -0.11 0.00 -2.50 0.00 0.00 55.36 52.85 1mwa s GLN 19 Cb -0.09 0.08 0.25 0.00 -1.64 0.00 0.00 33.01 31.61 1mwa s GLN 19 CO 0.17 -0.85 1.04 -0.48 0.50 0.00 0.00 175.29 175.66 1mwa s LEU 20 N 1.93 6.34 0.57 3.68 2.34 -1.20 -5.00 118.68 127.35 1mwa s LEU 20 Ca 0.15 -3.27 -0.18 0.00 0.06 0.00 0.00 54.13 50.89 1mwa s LEU 20 Cb -0.02 -2.23 -0.08 0.00 -0.56 0.00 0.00 46.19 43.30 1mwa s LEU 20 CO -0.10 -0.42 0.61 -2.11 -1.06 0.00 0.00 176.35 173.27 1mwa n ARG 21 N 3.35 0.60 -3.77 1.48 1.85 -1.26 -3.52 116.66 115.39 1mwa n ARG 21 Ca 0.22 0.23 -0.13 0.00 -1.00 0.00 0.00 57.85 57.18 1mwa n ARG 21 Cb 0.42 -1.78 -0.12 0.00 -1.05 0.00 0.00 32.46 29.93 1mwa n ARG 21 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1mwa s LYS 23 N 0.42 0.82 0.39 0.00 1.02 -0.05 -2.27 119.74 120.08 1mwa s LYS 23 Ca -0.02 -1.04 0.04 0.00 0.02 0.00 0.00 55.97 54.96 1mwa s LYS 23 Cb -0.04 -0.66 -0.04 0.00 -0.52 0.00 0.00 37.83 36.57 1mwa s LYS 23 CO -0.02 0.13 0.09 1.52 -0.92 0.00 0.00 175.35 176.14 1mwa s TYR 24 N -1.82 1.88 -0.20 3.18 -0.85 -1.20 0.07 117.35 118.39 1mwa s TYR 24 Ca 0.01 -1.11 -0.04 0.00 -0.52 0.00 0.00 57.07 55.41 1mwa s TYR 24 Cb -0.07 -1.27 0.10 0.00 0.38 0.00 0.00 41.96 41.09 1mwa s TYR 24 CO 0.01 -0.10 0.23 -1.12 -1.52 0.00 0.00 175.55 173.05 1mwa s SER 25 N -3.60 1.32 0.18 -0.18 0.01 -0.96 -4.88 113.70 105.59 1mwa s SER 25 Ca 0.26 -0.20 -0.02 0.00 1.31 0.00 0.00 55.95 57.30 1mwa s SER 25 Cb 0.05 0.42 -0.04 0.00 0.21 0.00 0.00 66.02 66.66 1mwa s SER 25 CO 0.14 -0.32 0.15 -0.47 0.41 0.00 0.00 173.24 173.14 1mwa s TYR 26 N 2.34 0.96 -0.29 2.43 5.04 -1.26 -4.10 117.35 122.47 1mwa s TYR 26 Ca 0.07 -1.25 0.23 0.00 -2.44 0.00 0.00 57.07 53.68 1mwa s TYR 26 Cb -0.16 -0.45 -0.02 0.00 0.35 0.00 0.00 41.96 41.68 1mwa s TYR 26 CO -0.12 -0.64 0.97 0.43 -1.34 0.00 0.00 175.55 174.85 1mwa n SER 27 N -0.22 0.67 -1.00 4.32 7.64 -1.26 -4.98 113.62 118.78 1mwa n SER 27 Ca -0.01 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1mwa n SER 27 Cb 0.65 0.73 0.00 0.00 -1.01 0.00 0.00 64.21 64.58 1mwa n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mwa n ALA 28 N -2.11 0.00 -2.65 -0.43 0.00 -1.26 -5.13 120.51 108.92 1mwa n ALA 28 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 1mwa n ALA 28 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.53 4.87 0.48 0.00 2.01 -1.26 -5.05 115.64 114.16 1mwa s THR 29 Ca 0.00 1.55 0.08 0.00 0.31 0.00 0.00 61.69 63.62 1mwa s THR 29 Cb 0.00 -4.10 0.02 0.00 0.01 0.00 0.00 72.50 68.43 1mwa s THR 29 CO 0.00 -0.03 0.50 -2.16 -0.69 0.00 0.00 174.62 172.24 1mwa s PRO 30 N 2.55 2.46 0.71 4.92 0.04 -1.26 -5.07 135.00 139.35 1mwa s PRO 30 Ca 0.35 -1.63 -0.11 0.00 0.04 0.00 0.00 61.00 59.65 1mwa s PRO 30 Cb -0.16 -2.43 0.02 0.00 0.04 0.00 0.00 34.50 31.98 1mwa s PRO 30 CO 0.09 -0.44 1.07 0.71 0.04 0.00 0.00 177.00 178.47 1mwa s TYR 31 N -2.57 2.88 -0.06 0.56 1.51 -0.52 -4.87 117.35 114.29 1mwa s TYR 31 Ca 0.49 1.49 -0.02 0.00 -1.01 0.00 0.00 57.07 58.01 1mwa s TYR 31 Cb -0.04 -2.97 0.04 0.00 -0.11 0.00 0.00 41.96 38.87 1mwa s TYR 31 CO 0.29 -1.45 0.11 -0.51 -1.11 0.00 0.00 175.55 172.89 1mwa s LEU 32 N -5.53 0.56 0.08 -1.29 1.43 -1.25 -2.39 118.68 110.29 1mwa s LEU 32 Ca 0.60 0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.99 1mwa s LEU 32 Cb -0.16 0.19 -0.03 0.00 0.03 0.00 0.00 46.19 46.22 1mwa s LEU 32 CO 0.53 -0.18 -0.18 -0.36 0.23 0.00 0.00 176.35 176.39 1mwa s PHE 33 N 1.51 1.58 -0.16 0.29 0.40 -0.57 -3.18 117.98 117.86 1mwa s PHE 33 Ca -0.05 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 1mwa s PHE 33 Cb -0.12 -0.89 0.03 0.00 0.51 0.00 0.00 43.02 42.54 1mwa s PHE 33 CO -0.05 0.13 -0.14 -1.58 0.70 0.00 0.00 175.22 174.28 1mwa s TRP 34 N -1.10 2.25 0.09 0.36 0.52 -1.25 -1.53 118.94 118.30 1mwa s TRP 34 Ca 0.04 -1.31 0.07 0.00 0.02 0.00 0.00 56.10 54.92 1mwa s TRP 34 Cb -0.10 -1.63 -0.03 0.00 -1.15 0.00 0.00 33.47 30.56 1mwa s TRP 34 CO 0.03 -0.69 -0.19 0.71 0.02 0.00 0.00 176.95 176.82 1mwa s TYR 35 N 1.46 1.66 -0.02 -1.98 1.51 0.13 -3.45 117.35 116.65 1mwa s TYR 35 Ca 0.04 -0.43 -0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1mwa s TYR 35 Cb -0.13 -0.91 0.01 0.00 -0.11 0.00 0.00 41.96 40.81 1mwa s TYR 35 CO -0.10 0.17 0.06 0.14 -1.11 0.00 0.00 175.55 174.70 1mwa s VAL 36 N -1.19 -0.01 0.03 0.71 -7.23 -1.25 0.33 120.40 111.79 1mwa s VAL 36 Ca 0.04 0.03 0.05 0.00 -1.81 0.00 0.00 61.98 60.29 1mwa s VAL 36 Cb -0.10 -0.09 -0.02 0.00 0.56 0.00 0.00 36.38 36.73 1mwa s VAL 36 CO 0.04 0.01 -0.13 -1.58 -0.31 0.00 0.00 175.10 173.13 1mwa s GLN 37 N 0.20 0.94 0.07 4.82 2.00 -1.23 -3.88 119.66 122.58 1mwa s GLN 37 Ca -0.01 -0.67 -0.00 0.00 -2.00 0.00 0.00 55.36 52.67 1mwa s GLN 37 Cb -0.02 -0.94 -0.04 0.00 0.80 0.00 0.00 33.01 32.81 1mwa s GLN 37 CO -0.01 0.24 0.23 0.71 -0.50 0.00 0.00 175.29 175.96 1mwa s TYR 38 N -0.71 3.51 -0.53 1.67 4.12 -1.26 -3.91 117.35 120.23 1mwa s TYR 38 Ca 0.02 0.28 -0.26 0.00 0.02 0.00 0.00 57.07 57.13 1mwa s TYR 38 Cb -0.07 -1.79 -0.08 0.00 -1.52 0.00 0.00 41.96 38.50 1mwa s TYR 38 CO 0.01 0.57 2.44 -0.35 0.02 0.00 0.00 175.55 178.23 1mwa n PRO 39 N 0.24 0.96 -2.04 -1.71 -0.04 -1.26 -2.65 135.00 128.49 1mwa n PRO 39 Ca -0.05 -0.04 -0.01 0.00 -0.04 0.00 0.00 63.50 63.36 1mwa n PRO 39 Cb 0.51 -3.34 0.00 0.00 -0.04 0.00 0.00 33.50 30.63 1mwa n PRO 39 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1mwa n ARG 40 N 8.96 -0.57 0.00 0.54 0.63 -1.26 -5.03 116.66 119.93 1mwa n ARG 40 Ca 0.39 0.92 0.00 0.00 -0.92 0.00 0.00 57.85 58.24 1mwa n ARG 40 Cb 0.51 -3.02 0.00 0.00 0.45 0.00 0.00 32.46 30.40 1mwa n ARG 40 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1mwa n GLN 41 N -1.05 0.00 0.00 -0.14 -0.06 -1.09 -5.17 117.38 109.87 1mwa n GLN 41 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 1mwa n GLN 41 Cb 0.41 -0.10 0.00 0.00 -4.06 0.00 0.00 30.24 26.50 1mwa n GLN 41 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1mwa n GLY 42 N 1.56 3.73 3.73 1.69 0.00 -1.26 -5.03 105.19 109.61 1mwa n GLY 42 Ca 0.00 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 1mwa n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mwa s LEU 43 N 0.00 4.45 0.03 0.99 2.96 -1.26 -4.65 118.68 121.20 1mwa s LEU 43 Ca 0.00 2.02 0.03 0.00 -0.22 0.00 0.00 54.13 55.97 1mwa s LEU 43 Cb 0.00 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 1mwa s LEU 43 CO 0.00 -0.28 -0.10 -1.58 -1.32 0.00 0.00 176.35 173.07 1mwa s GLN 44 N 0.11 0.68 -0.10 1.98 2.00 -1.25 -5.10 119.66 117.98 1mwa s GLN 44 Ca 0.52 -0.63 -0.08 0.00 -2.00 0.00 0.00 55.36 53.17 1mwa s GLN 44 Cb -0.28 -0.61 -0.04 0.00 0.80 0.00 0.00 33.01 32.88 1mwa s GLN 44 CO 0.33 0.15 0.17 -1.17 -0.50 0.00 0.00 175.29 174.26 1mwa s LEU 45 N -1.06 4.40 -0.06 3.68 2.96 -1.26 -3.76 118.68 123.59 1mwa s LEU 45 Ca -0.02 0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 54.35 1mwa s LEU 45 Cb -0.07 -2.15 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 1mwa s LEU 45 CO 0.01 0.39 -0.12 0.18 -1.32 0.00 0.00 176.35 175.49 1mwa n LEU 46 N 1.92 0.75 -3.94 -0.68 4.77 -1.22 -4.99 117.00 113.60 1mwa n LEU 46 Ca -0.19 0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.79 1mwa n LEU 46 Cb 0.55 -0.52 -0.13 0.00 -2.33 0.00 0.00 43.42 40.98 1mwa n LEU 46 CO 0.32 -0.44 -0.38 -1.48 -1.33 0.00 0.00 177.39 174.09 1mwa s LEU 47 N -6.15 2.08 -0.06 2.23 0.05 -1.26 -3.88 118.68 111.69 1mwa s LEU 47 Ca -0.10 -0.19 0.05 0.00 0.05 0.00 0.00 54.13 53.93 1mwa s LEU 47 Cb 0.01 -0.08 -0.00 0.00 -2.05 0.00 0.00 46.19 44.07 1mwa s LEU 47 CO 0.15 -0.06 -0.21 -1.59 -0.55 0.00 0.00 176.35 174.08 1mwa s LYS 48 N -0.52 2.34 -0.57 1.48 -2.85 -1.26 -3.81 119.74 114.55 1mwa s LYS 48 Ca -0.04 -0.76 0.04 0.00 -1.00 0.00 0.00 55.97 54.22 1mwa s LYS 48 Cb -0.04 -1.92 0.14 0.00 -2.06 0.00 0.00 37.83 33.95 1mwa s LYS 48 CO -0.00 0.26 0.33 -0.47 0.10 0.00 0.00 175.35 175.56 1mwa s TYR 49 N 0.10 3.26 0.00 1.78 5.04 -1.19 -4.92 117.35 121.42 1mwa s TYR 49 Ca -0.08 -3.21 0.00 0.00 -2.44 0.00 0.00 57.07 51.34 1mwa s TYR 49 Cb -0.14 -2.76 0.00 0.00 0.35 0.00 0.00 41.96 39.41 1mwa s TYR 49 CO 0.04 -0.68 0.00 0.66 -1.34 0.00 0.00 175.55 174.23 1mwa n TYR 50 N 2.78 0.00 -1.18 4.97 0.53 -1.26 -3.78 117.16 119.21 1mwa n TYR 50 Ca 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.97 1mwa n TYR 50 Cb 0.33 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.64 1mwa n TYR 50 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 1mwa n SER 51 N 0.00 0.13 0.00 7.72 2.88 -1.26 -4.79 113.62 118.30 1mwa n SER 51 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1mwa n SER 51 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1mwa n SER 51 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1mwa n GLY 52 N 0.00 0.03 3.73 0.46 0.00 -1.26 -5.02 105.19 103.13 1mwa n GLY 52 Ca 0.00 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 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 0.00 3.59 -0.75 1.61 -0.08 -1.26 -4.83 116.55 114.83 1mwa n ASP 53 Ca 0.00 1.16 0.00 0.00 -1.51 0.00 0.00 54.79 54.44 1mwa n ASP 53 Cb 0.00 -1.56 0.00 0.00 2.34 0.00 0.00 41.12 41.90 1mwa n ASP 53 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1mwa n PRO 54 N 1.74 0.65 -3.66 -0.67 -0.04 -1.26 -4.47 135.00 127.29 1mwa n PRO 54 Ca 0.08 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.45 1mwa n PRO 54 Cb 0.36 -1.25 -0.09 0.00 -0.04 0.00 0.00 33.50 32.48 1mwa n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1mwa s VAL 55 N -0.33 -0.64 0.23 0.52 -7.23 -1.26 -2.56 120.40 109.12 1mwa s VAL 55 Ca 0.00 0.16 0.05 0.00 -1.81 0.00 0.00 61.98 60.39 1mwa s VAL 55 Cb 0.00 -0.67 -0.03 0.00 0.56 0.00 0.00 36.38 36.23 1mwa s VAL 55 CO 0.00 0.07 0.28 -0.69 -0.31 0.00 0.00 175.10 174.44 1mwa s VAL 56 N 2.59 4.91 -1.28 1.32 1.01 -1.26 -5.03 120.40 122.66 1mwa s VAL 56 Ca -0.02 -1.12 -0.14 0.00 0.00 0.00 0.00 61.98 60.71 1mwa s VAL 56 Cb -0.12 -3.64 0.13 0.00 0.00 0.00 0.00 36.38 32.75 1mwa s VAL 56 CO -0.13 -0.29 1.72 1.67 0.00 0.00 0.00 175.10 178.07 1mwa n GLN 57 N -1.15 3.32 -1.66 2.72 -0.06 -1.26 -4.61 117.38 114.68 1mwa n GLN 57 Ca -0.08 -3.47 -0.43 0.00 -2.00 0.00 0.00 57.00 51.02 1mwa n GLN 57 Cb 0.57 -3.15 -0.03 0.00 -4.06 0.00 0.00 30.24 23.57 1mwa n GLN 57 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1mwa n GLY 58 N 4.07 1.84 3.77 1.69 0.00 -1.11 -4.93 105.19 110.51 1mwa n GLY 58 Ca 0.42 0.82 -0.40 0.00 0.00 0.00 0.00 46.02 46.87 1mwa n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mwa s VAL 59 N 4.40 2.49 -0.24 1.61 1.01 -1.25 -3.18 120.40 125.24 1mwa s VAL 59 Ca 0.89 0.44 -0.00 0.00 0.00 0.00 0.00 61.98 63.32 1mwa s VAL 59 Cb -0.45 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1mwa s VAL 59 CO 0.43 0.07 0.00 0.59 0.00 0.00 0.00 175.10 176.19 1mwa n ASN 60 N 0.14 -1.67 0.00 3.32 4.13 -1.26 -4.03 115.26 115.89 1mwa n ASN 60 Ca 0.03 -0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.29 1mwa n ASN 60 Cb 0.43 -1.09 0.00 0.00 -1.54 0.00 0.00 39.78 37.58 1mwa n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1mwa n GLY 61 N -1.00 0.76 3.56 7.41 0.00 -1.25 -4.99 105.19 109.68 1mwa n GLY 61 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.08 2.66 -0.28 1.61 0.40 -1.19 -1.84 117.98 117.25 1mwa s PHE 62 Ca 0.00 -0.20 -0.23 0.00 -0.60 0.00 0.00 56.93 55.90 1mwa s PHE 62 Cb 0.00 -1.37 0.12 0.00 0.51 0.00 0.00 43.02 42.29 1mwa s PHE 62 CO 0.00 0.44 1.01 -1.83 0.70 0.00 0.00 175.22 175.54 1mwa s GLU 63 N -2.39 0.49 0.25 0.44 -1.05 -1.04 -2.74 118.70 112.67 1mwa s GLU 63 Ca 0.22 0.63 0.12 0.00 -0.15 0.00 0.00 54.97 55.79 1mwa s GLU 63 Cb -0.10 0.22 -0.05 0.00 -0.44 0.00 0.00 34.13 33.76 1mwa s GLU 63 CO 0.13 -0.07 -0.21 0.00 0.95 0.00 0.00 175.26 176.07 1mwa s ALA 64 N 0.46 2.68 0.07 -0.84 0.00 -1.26 -2.04 121.76 120.84 1mwa s ALA 64 Ca 0.01 -1.78 0.07 0.00 0.00 0.00 0.00 51.96 50.25 1mwa s ALA 64 Cb -0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1mwa s ALA 64 CO -0.08 0.34 -0.19 -2.00 0.00 0.00 0.00 175.76 173.83 1mwa s GLU 65 N -3.20 1.16 -0.05 0.00 2.12 -1.20 -4.10 118.70 113.43 1mwa s GLU 65 Ca 0.27 -1.00 0.01 0.00 0.36 0.00 0.00 54.97 54.61 1mwa s GLU 65 Cb -0.06 -1.31 -0.03 0.00 0.26 0.00 0.00 34.13 32.99 1mwa s GLU 65 CO 0.13 0.32 -0.06 0.12 -0.54 0.00 0.00 175.26 175.23 1mwa s PHE 66 N -1.00 2.95 -0.21 5.30 5.99 -1.06 -3.81 117.98 126.14 1mwa s PHE 66 Ca 0.05 0.02 -0.04 0.00 0.00 0.00 0.00 56.93 56.96 1mwa s PHE 66 Cb -0.09 -1.69 0.08 0.00 0.00 0.00 0.00 43.02 41.32 1mwa s PHE 66 CO 0.03 0.36 0.15 -1.12 -0.00 0.00 0.00 175.22 174.64 1mwa s SER 67 N -1.02 2.15 0.25 6.13 0.01 -1.22 -4.95 113.70 115.06 1mwa s SER 67 Ca 0.14 -0.59 0.25 0.00 1.31 0.00 0.00 55.95 57.06 1mwa s SER 67 Cb -0.11 -0.00 0.90 0.00 0.21 0.00 0.00 66.02 67.02 1mwa s SER 67 CO 0.04 -0.36 1.75 0.50 0.41 0.00 0.00 173.24 175.58 1mwa h LYS 68 N 8.37 0.00 -0.33 12.44 3.64 -1.94 3.83 116.57 142.58 1mwa h LYS 68 Ca -0.16 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.09 1mwa h LYS 68 Cb 1.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1mwa h LYS 68 CO 0.31 0.00 -0.27 0.77 -2.27 0.00 0.00 179.45 177.99 1mwa h SER 69 N 0.00 0.81 0.31 4.20 0.02 -1.97 -3.20 113.55 113.71 1mwa h SER 69 Ca 0.00 -0.45 -0.14 0.00 -0.84 0.00 0.00 61.79 60.36 1mwa h SER 69 Cb 0.56 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 1mwa h SER 69 CO 0.00 1.09 -1.82 0.59 -1.14 0.00 0.00 176.83 175.55 1mwa n ASN 70 N -4.24 0.33 -2.49 3.07 3.02 -0.87 -4.99 115.26 109.10 1mwa n ASN 70 Ca -0.03 0.14 -0.12 0.00 -0.03 0.00 0.00 54.58 54.54 1mwa n ASN 70 Cb 0.47 1.07 0.05 0.00 -0.61 0.00 0.00 39.78 40.76 1mwa n ASN 70 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1mwa n SER 71 N -2.60 -2.92 -1.76 6.41 7.64 1.26 -5.01 113.62 116.63 1mwa n SER 71 Ca -0.12 -0.37 -0.02 0.00 1.01 0.00 0.00 58.87 59.37 1mwa n SER 71 Cb 0.79 -3.37 -0.00 0.00 -1.01 0.00 0.00 64.21 60.61 1mwa n SER 71 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1mwa n SER 72 N -2.00 1.26 -0.53 6.43 7.64 -0.57 -3.25 113.62 122.61 1mwa n SER 72 Ca -0.12 -1.13 -0.02 0.00 1.01 0.00 0.00 58.87 58.61 1mwa n SER 72 Cb 0.58 0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 63.81 1mwa n SER 72 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1mwa n PHE 73 N -0.06 0.00 -1.49 1.43 7.35 -0.96 -3.38 117.46 120.35 1mwa n PHE 73 Ca -0.01 -0.13 -0.52 0.00 -0.76 0.00 0.00 57.45 56.03 1mwa n PHE 73 Cb 0.04 0.30 -0.05 0.00 0.35 0.00 0.00 39.48 40.11 1mwa n PHE 73 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 1mwa n HIS 74 N 0.00 0.49 -3.25 -5.13 8.25 -1.24 -4.46 115.22 109.88 1mwa n HIS 74 Ca -0.07 0.91 -0.25 0.00 -0.26 0.00 0.00 57.72 58.04 1mwa n HIS 74 Cb 0.35 -2.11 -0.01 0.00 1.12 0.00 0.00 29.99 29.34 1mwa n HIS 74 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1mwa s LEU 75 N 1.15 3.96 -0.04 2.41 2.96 -1.23 -3.27 118.68 124.62 1mwa s LEU 75 Ca 0.77 0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 55.18 1mwa s LEU 75 Cb -1.03 -3.43 0.01 0.00 0.50 0.00 0.00 46.19 42.24 1mwa s LEU 75 CO 0.55 -0.32 0.16 -0.13 -1.32 0.00 0.00 176.35 175.29 1mwa s ARG 76 N -4.27 0.29 0.04 1.98 0.52 -0.86 -3.22 118.95 113.43 1mwa s ARG 76 Ca 0.42 0.04 0.03 0.00 -0.52 0.00 0.00 55.73 55.70 1mwa s ARG 76 Cb -0.10 0.13 -0.04 0.00 0.52 0.00 0.00 34.95 35.46 1mwa s ARG 76 CO 0.37 -0.05 -0.01 0.21 0.02 0.00 0.00 175.30 175.83 1mwa s LYS 77 N -0.37 2.66 -0.05 3.54 2.47 -1.23 -2.49 119.74 124.27 1mwa s LYS 77 Ca -0.05 -0.72 -0.02 0.00 -1.56 0.00 0.00 55.97 53.63 1mwa s LYS 77 Cb -0.03 -2.59 -0.01 0.00 -1.46 0.00 0.00 37.83 33.74 1mwa s LYS 77 CO 0.01 0.59 -0.03 0.00 0.16 0.00 0.00 175.35 176.07 1mwa h ALA 78 N 3.99 0.00 -3.17 3.13 0.00 -1.73 -3.36 119.26 118.13 1mwa h ALA 78 Ca -0.48 -0.15 -0.63 0.00 0.00 0.00 0.00 54.91 53.65 1mwa h ALA 78 Cb 1.17 0.09 -0.41 0.00 0.00 0.00 0.00 17.79 18.63 1mwa h ALA 78 CO 0.58 0.09 -0.62 0.45 0.00 0.00 0.00 179.25 179.74 1mwa s SER 79 N -4.20 4.43 -0.61 0.00 0.15 -1.26 -4.85 113.70 107.35 1mwa s SER 79 Ca -0.02 -3.43 -0.27 0.00 0.70 0.00 0.00 55.95 52.93 1mwa s SER 79 Cb 0.00 -1.56 -0.11 0.00 -1.71 0.00 0.00 66.02 62.65 1mwa s SER 79 CO 0.04 -0.16 2.47 1.33 1.20 0.00 0.00 173.24 178.12 1mwa n VAL 80 N 2.54 -0.07 -5.07 4.45 0.24 -1.21 -4.86 118.33 114.35 1mwa n VAL 80 Ca 0.14 -0.64 -0.31 0.00 -2.04 0.00 0.00 64.34 61.49 1mwa n VAL 80 Cb 0.34 -2.30 -0.17 0.00 -1.47 0.00 0.00 33.84 30.24 1mwa n VAL 80 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1mwa s HIS 81 N 11.68 2.41 0.31 6.34 3.76 -1.26 0.24 115.29 138.77 1mwa s HIS 81 Ca 1.05 -1.00 0.25 0.00 -0.15 0.00 0.00 55.06 55.21 1mwa s HIS 81 Cb -0.37 -1.63 1.01 0.00 1.11 0.00 0.00 32.58 32.70 1mwa s HIS 81 CO 0.29 -0.42 0.98 1.87 -0.85 0.00 0.00 174.74 176.62 1mwa n TRP 82 N 3.62 0.25 0.22 1.40 -0.00 -1.26 -2.24 117.44 119.44 1mwa n TRP 82 Ca -0.20 0.26 0.00 0.00 -0.00 0.00 0.00 57.50 57.56 1mwa n TRP 82 Cb 0.53 -0.61 0.00 0.00 -0.00 0.00 0.00 31.31 31.22 1mwa n TRP 82 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1mwa n SER 83 N -3.62 0.09 -0.11 5.87 2.88 -1.26 -1.67 113.62 115.80 1mwa n SER 83 Ca 0.27 -0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1mwa n SER 83 Cb 1.11 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.52 1mwa n SER 83 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1mwa n ASP 84 N 0.05 0.00 -4.65 -3.46 8.00 -0.95 -5.12 116.55 110.43 1mwa n ASP 84 Ca 0.00 -1.11 -0.46 0.00 0.71 0.00 0.00 54.79 53.93 1mwa n ASP 84 Cb 0.02 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.07 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 0.00 2.46 0.00 -2.24 7.64 -0.67 -4.89 113.62 115.92 1mwa n SER 85 Ca 0.00 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1mwa n SER 85 Cb 0.52 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 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 2.21 0.00 -2.49 -0.43 0.00 -1.17 -4.97 120.51 113.66 1mwa n ALA 86 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.25 1mwa n ALA 86 Cb 0.28 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.60 1mwa n ALA 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1mwa s VAL 87 N -1.38 2.96 -0.17 0.00 -7.23 -1.25 -1.02 120.40 112.30 1mwa s VAL 87 Ca 0.00 -0.76 -0.01 0.00 -1.81 0.00 0.00 61.98 59.40 1mwa s VAL 87 Cb 0.00 -2.15 -0.00 0.00 0.56 0.00 0.00 36.38 34.79 1mwa s VAL 87 CO 0.00 0.59 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.93 1mwa s TYR 88 N -0.67 2.82 -0.12 2.82 1.51 -0.27 -3.52 117.35 119.92 1mwa s TYR 88 Ca 0.10 -1.10 -0.02 0.00 -1.01 0.00 0.00 57.07 55.05 1mwa s TYR 88 Cb -0.11 -1.94 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 1mwa s TYR 88 CO 0.01 -0.53 -0.06 -0.06 -1.11 0.00 0.00 175.55 173.79 1mwa s PHE 89 N 1.01 2.97 -0.26 2.71 0.08 0.15 -2.72 117.98 121.93 1mwa s PHE 89 Ca -0.01 -0.24 0.02 0.00 0.12 0.00 0.00 56.93 56.82 1mwa s PHE 89 Cb -0.15 -1.86 0.06 0.00 -0.57 0.00 0.00 43.02 40.51 1mwa s PHE 89 CO -0.03 0.06 -0.07 0.00 -0.10 0.00 0.00 175.22 175.08 1mwa s ALA 91 N 1.18 1.48 0.74 0.00 0.00 -0.58 -2.51 121.76 122.07 1mwa s ALA 91 Ca -0.06 -0.55 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 1mwa s ALA 91 Cb -0.20 -0.62 0.12 0.00 0.00 0.00 0.00 23.12 22.43 1mwa s ALA 91 CO -0.06 0.16 0.79 1.33 0.00 0.00 0.00 175.76 177.99 1mwa n VAL 92 N 3.70 0.00 -3.69 0.00 0.24 -1.08 -1.51 118.33 116.00 1mwa n VAL 92 Ca -0.22 -1.02 -0.11 0.00 -2.04 0.00 0.00 64.34 60.95 1mwa n VAL 92 Cb 0.52 -1.20 -0.12 0.00 -1.47 0.00 0.00 33.84 31.57 1mwa n VAL 92 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1mwa s SER 93 N -4.11 -0.23 0.00 -1.34 0.15 -1.01 -2.58 113.70 104.59 1mwa s SER 93 Ca 0.50 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.91 1mwa s SER 93 Cb -0.02 0.78 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 1mwa s SER 93 CO 0.34 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1mwa n GLY 99 N 4.70 0.00 0.11 9.45 0.00 -1.26 -1.44 105.19 116.75 1mwa n GLY 99 Ca -0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 1mwa n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mwa n PHE 100 N -0.33 1.14 0.00 1.61 0.99 -1.26 -5.00 117.46 114.61 1mwa n PHE 100 Ca 0.00 0.31 0.00 0.00 -0.00 0.00 0.00 57.45 57.76 1mwa n PHE 100 Cb 0.00 -1.17 0.00 0.00 -1.00 0.00 0.00 39.48 37.31 1mwa n PHE 100 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1mwa n ALA 101 N -2.80 0.00 -0.17 4.37 0.00 -1.26 -5.02 120.51 115.63 1mwa n ALA 101 Ca -0.25 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.22 1mwa n ALA 101 Cb 1.05 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.58 1mwa n ALA 101 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1mwa n SER 102 N 0.00 2.48 -4.71 0.00 3.41 -1.26 -4.99 113.62 108.55 1mwa n SER 102 Ca 0.00 -2.10 -0.37 0.00 -0.26 0.00 0.00 58.87 56.14 1mwa n SER 102 Cb 0.00 -0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 63.74 1mwa n SER 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mwa s ALA 103 N -1.18 3.59 -0.08 7.33 0.00 -1.26 -5.07 121.76 125.08 1mwa s ALA 103 Ca 0.13 -0.50 -0.15 0.00 0.00 0.00 0.00 51.96 51.44 1mwa s ALA 103 Cb 0.08 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.73 1mwa s ALA 103 CO 0.07 0.02 0.38 -0.51 0.00 0.00 0.00 175.76 175.71 1mwa s LEU 104 N 0.63 4.35 -0.28 0.00 1.43 -1.26 -4.62 118.68 118.93 1mwa s LEU 104 Ca 0.16 0.77 -0.10 0.00 -1.03 0.00 0.00 54.13 53.92 1mwa s LEU 104 Cb -0.13 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 1mwa s LEU 104 CO 0.04 0.18 0.16 0.42 0.23 0.00 0.00 176.35 177.38 1mwa s THR 105 N -0.18 5.01 0.18 5.49 -4.23 -1.06 -4.95 115.64 115.90 1mwa s THR 105 Ca 0.22 -0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.62 1mwa s THR 105 Cb -0.15 -3.41 -0.07 0.00 1.34 0.00 0.00 72.50 70.21 1mwa s THR 105 CO 0.09 0.23 0.52 -0.36 -0.54 0.00 0.00 174.62 174.57 1mwa s PHE 106 N 1.71 3.50 0.74 3.99 0.40 -1.26 -2.62 117.98 124.44 1mwa s PHE 106 Ca 0.07 0.90 -0.10 0.00 -0.60 0.00 0.00 56.93 57.20 1mwa s PHE 106 Cb -0.16 -2.27 0.06 0.00 0.51 0.00 0.00 43.02 41.16 1mwa s PHE 106 CO 0.09 0.35 1.09 0.20 0.70 0.00 0.00 175.22 177.65 1mwa s GLY 107 N -2.10 1.63 0.18 4.36 0.00 -1.04 -4.77 107.32 105.57 1mwa s GLY 107 Ca 0.43 -0.67 -0.15 0.00 0.00 0.00 0.00 44.72 44.32 1mwa s GLY 107 CO 0.20 -0.25 1.67 1.76 0.00 0.00 0.00 173.10 176.49 1mwa h SER 108 N -0.77 -0.28 0.00 1.64 0.02 -1.92 -3.44 113.55 108.80 1mwa h SER 108 Ca -0.45 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1mwa h SER 108 Cb 1.30 0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.08 1mwa h SER 108 CO 0.63 -0.10 0.00 0.61 -1.14 0.00 0.00 176.83 176.83 1mwa n GLY 109 N -1.32 0.55 0.00 -3.77 0.00 -1.26 -4.99 105.19 94.40 1mwa n GLY 109 Ca 0.05 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1mwa n GLY 109 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1mwa n THR 110 N 5.36 0.00 -3.00 2.61 5.66 -1.10 -3.96 114.28 119.84 1mwa n THR 110 Ca 0.00 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.60 1mwa n THR 110 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 1mwa n THR 110 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1mwa s LYS 111 N 0.00 4.39 -0.14 1.09 2.20 -1.26 -1.12 119.74 124.91 1mwa s LYS 111 Ca 0.00 0.91 0.02 0.00 -0.36 0.00 0.00 55.97 56.54 1mwa s LYS 111 Cb 0.00 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 1mwa s LYS 111 CO 0.00 -0.05 -0.20 0.08 -0.36 0.00 0.00 175.35 174.81 1mwa s VAL 112 N 1.20 2.25 -0.29 4.02 1.01 -0.19 0.04 120.40 128.45 1mwa s VAL 112 Ca 0.37 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1mwa s VAL 112 Cb -0.17 -1.91 0.07 0.00 0.00 0.00 0.00 36.38 34.36 1mwa s VAL 112 CO 0.17 0.54 -0.05 -0.63 0.00 0.00 0.00 175.10 175.13 1mwa s ILE 113 N 0.71 2.39 -1.17 2.22 1.01 -1.14 -3.02 121.20 122.19 1mwa s ILE 113 Ca -0.09 -1.71 -0.12 0.00 0.00 0.00 0.00 60.65 58.73 1mwa s ILE 113 Cb -0.16 -2.47 0.22 0.00 0.01 0.00 0.00 42.46 40.06 1mwa s ILE 113 CO 0.01 -0.16 1.30 0.55 0.00 0.00 0.00 174.94 176.64 1mwa n VAL 114 N 4.45 4.40 -1.64 2.92 3.14 -1.26 -2.72 118.33 127.62 1mwa n VAL 114 Ca -0.11 -5.03 -0.53 0.00 -2.96 0.00 0.00 64.34 55.72 1mwa n VAL 114 Cb 0.42 -2.52 -0.06 0.00 -1.06 0.00 0.00 33.84 30.62 1mwa n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1mwa n LEU 115 N 4.29 2.68 -4.87 6.55 7.99 -0.42 -4.19 117.00 129.02 1mwa n LEU 115 Ca 0.31 0.89 -0.29 0.00 -0.01 0.00 0.00 56.01 56.91 1mwa n LEU 115 Cb 0.41 -1.24 0.10 0.00 -0.11 0.00 0.00 43.42 42.58 1mwa n LEU 115 CO 0.56 -0.37 0.77 -2.16 -1.51 0.00 0.00 177.39 174.67 1mwa s PRO 116 N 4.37 1.83 0.43 3.23 0.04 -1.26 0.14 135.00 143.78 1mwa s PRO 116 Ca 0.99 0.17 0.07 0.00 0.04 0.00 0.00 61.00 62.27 1mwa s PRO 116 Cb -0.90 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 1mwa s PRO 116 CO 0.58 -1.70 0.18 1.52 0.04 0.00 0.00 177.00 177.61 1mwa s TYR 117 N -3.50 2.49 0.35 0.56 -0.85 -1.26 -4.67 117.35 110.47 1mwa s TYR 117 Ca 0.62 -0.63 0.03 0.00 -0.52 0.00 0.00 57.07 56.57 1mwa s TYR 117 Cb -0.12 -1.93 -0.01 0.00 0.38 0.00 0.00 41.96 40.28 1mwa s TYR 117 CO 0.50 0.15 0.40 0.44 -1.52 0.00 0.00 175.55 175.52 1mwa n ILE 118 N -1.27 0.00 -1.91 -3.49 -6.64 -1.26 -4.99 119.36 99.80 1mwa n ILE 118 Ca -0.02 -2.15 0.00 0.00 -1.77 0.00 0.00 62.75 58.81 1mwa n ILE 118 Cb 0.65 1.18 0.00 0.00 -1.44 0.00 0.00 39.64 40.03 1mwa n ILE 118 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1mwa n GLN 119 N -0.62 0.00 -2.64 6.28 6.02 -1.26 -4.84 117.38 120.32 1mwa n GLN 119 Ca 0.04 -0.94 -0.16 0.00 -0.01 0.00 0.00 57.00 55.93 1mwa n GLN 119 Cb 0.61 -0.49 0.01 0.00 1.02 0.00 0.00 30.24 31.39 1mwa n GLN 119 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1mwa n ASN 120 N 0.00 2.60 -4.58 1.08 4.05 -1.26 -5.07 115.26 112.07 1mwa n ASN 120 Ca 0.00 -3.10 -0.42 0.00 0.45 0.00 0.00 54.58 51.52 1mwa n ASN 120 Cb 0.68 -0.51 -0.03 0.00 1.23 0.00 0.00 39.78 41.15 1mwa n ASN 120 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1mwa s PRO 121 N -3.24 3.18 -0.46 1.20 0.04 -1.26 -4.74 135.00 129.73 1mwa s PRO 121 Ca 0.35 1.06 0.02 0.00 0.04 0.00 0.00 61.00 62.48 1mwa s PRO 121 Cb 0.43 -4.22 0.15 0.00 0.04 0.00 0.00 34.50 30.90 1mwa s PRO 121 CO -0.05 -2.05 0.28 -1.83 0.04 0.00 0.00 177.00 173.39 1mwa s GLU 122 N 5.91 1.28 -0.70 4.56 -1.05 -1.26 -5.08 118.70 122.36 1mwa s GLU 122 Ca 0.72 -2.10 -0.26 0.00 -0.15 0.00 0.00 54.97 53.18 1mwa s GLU 122 Cb -0.17 -2.20 -0.02 0.00 -0.44 0.00 0.00 34.13 31.30 1mwa s GLU 122 CO 0.29 -1.22 1.82 -1.25 0.95 0.00 0.00 175.26 175.86 1mwa s PRO 123 N 0.18 2.69 0.38 -4.83 0.04 -1.26 -4.79 135.00 127.40 1mwa s PRO 123 Ca 0.21 0.28 0.04 0.00 0.04 0.00 0.00 61.00 61.56 1mwa s PRO 123 Cb -0.17 -4.55 -0.04 0.00 0.04 0.00 0.00 34.50 29.78 1mwa s PRO 123 CO -0.05 -2.82 0.10 0.00 0.04 0.00 0.00 177.00 174.28 1mwa s ALA 124 N 8.91 2.75 -0.41 8.56 0.00 -1.26 -4.10 121.76 136.21 1mwa s ALA 124 Ca 0.64 -1.46 0.05 0.00 0.00 0.00 0.00 51.96 51.20 1mwa s ALA 124 Cb -0.10 0.72 0.17 0.00 0.00 0.00 0.00 23.12 23.90 1mwa s ALA 124 CO 0.14 -0.33 0.50 0.08 0.00 0.00 0.00 175.76 176.16 1mwa s VAL 125 N -3.25 -0.57 0.00 0.00 1.01 -1.26 -4.86 120.40 111.46 1mwa s VAL 125 Ca 0.27 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1mwa s VAL 125 Cb 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 36.01 1mwa s VAL 125 CO 0.14 -0.38 0.00 -1.22 0.00 0.00 0.00 175.10 173.64 1mwa n TYR 126 N 3.96 -3.60 -4.26 5.22 4.02 -1.12 -4.02 117.16 117.36 1mwa n TYR 126 Ca 0.14 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.89 1mwa n TYR 126 Cb 0.51 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.72 1mwa n TYR 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1mwa s ALA 127 N -3.77 1.48 -0.24 -0.72 0.00 -1.26 -2.91 121.76 114.33 1mwa s ALA 127 Ca 0.00 -1.55 -0.18 0.00 0.00 0.00 0.00 51.96 50.22 1mwa s ALA 127 Cb 0.00 0.23 0.07 0.00 0.00 0.00 0.00 23.12 23.42 1mwa s ALA 127 CO 0.00 -0.18 0.63 -0.48 0.00 0.00 0.00 175.76 175.73 1mwa s LEU 128 N -3.19 -0.57 0.36 0.00 2.34 -1.26 -4.75 118.68 111.60 1mwa s LEU 128 Ca 0.20 1.31 0.06 0.00 0.06 0.00 0.00 54.13 55.76 1mwa s LEU 128 Cb 0.04 2.15 -0.07 0.00 -0.56 0.00 0.00 46.19 47.74 1mwa s LEU 128 CO 0.02 -0.22 0.02 -0.54 -1.06 0.00 0.00 176.35 174.57 1mwa s LYS 129 N 0.94 1.78 -0.09 1.48 3.01 -1.26 -4.50 119.74 121.10 1mwa s LYS 129 Ca -0.05 -1.99 -0.02 0.00 -1.01 0.00 0.00 55.97 52.91 1mwa s LYS 129 Cb -0.05 -1.25 -0.03 0.00 -1.01 0.00 0.00 37.83 35.48 1mwa s LYS 129 CO -0.08 -0.10 0.01 0.34 0.51 0.00 0.00 175.35 176.03 1mwa s ASP 132 N -3.58 5.28 0.00 2.83 2.15 -1.21 -5.00 116.67 117.13 1mwa s ASP 132 Ca 0.35 0.15 0.14 0.00 0.43 0.00 0.00 52.55 53.62 1mwa s ASP 132 Cb 0.09 -1.51 0.77 0.00 -0.30 0.00 0.00 42.92 41.96 1mwa s ASP 132 CO 0.16 0.37 1.30 -2.65 -0.17 0.00 0.00 175.17 174.18 1mwa n PRO 133 N 2.20 0.33 0.00 4.34 -0.02 -1.26 -2.65 135.00 137.94 1mwa n PRO 133 Ca -0.19 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1mwa n PRO 133 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 1mwa n PRO 133 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1mwa n ARG 134 N -1.12 1.51 -3.96 -0.52 5.12 -1.26 -4.99 116.66 111.44 1mwa n ARG 134 Ca 0.09 -0.06 -0.31 0.00 -1.93 0.00 0.00 57.85 55.64 1mwa n ARG 134 Cb 0.07 -0.35 -0.15 0.00 -1.16 0.00 0.00 32.46 30.87 1mwa n ARG 134 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1mwa s SER 135 N -0.23 4.14 0.00 0.55 0.15 -1.08 -5.01 113.70 112.22 1mwa s SER 135 Ca 0.00 -1.43 -0.01 0.00 0.70 0.00 0.00 55.95 55.21 1mwa s SER 135 Cb 0.00 -1.30 -0.05 0.00 -1.71 0.00 0.00 66.02 62.96 1mwa s SER 135 CO 0.00 -0.27 2.14 0.00 1.20 0.00 0.00 173.24 176.31 1mwa n GLN 136 N 4.57 1.10 0.00 5.44 1.13 -1.26 -3.32 117.38 125.04 1mwa n GLN 136 Ca -0.09 -0.20 0.00 0.00 -1.94 0.00 0.00 57.00 54.77 1mwa n GLN 136 Cb 0.43 -1.25 0.00 0.00 0.11 0.00 0.00 30.24 29.53 1mwa n GLN 136 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1mwa n ASP 137 N 1.77 2.58 -2.87 1.08 4.64 -1.26 -5.08 116.55 117.41 1mwa n ASP 137 Ca 0.09 0.00 -0.09 0.00 -1.38 0.00 0.00 54.79 53.41 1mwa n ASP 137 Cb 0.53 0.00 0.01 0.00 -1.04 0.00 0.00 41.12 40.62 1mwa n ASP 137 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 1mwa n SER 138 N 0.00 -7.85 -4.63 1.67 7.64 -1.26 -4.42 113.62 104.77 1mwa n SER 138 Ca 0.00 0.62 -0.43 0.00 1.01 0.00 0.00 58.87 60.07 1mwa n SER 138 Cb 0.00 -5.18 -0.03 0.00 -1.01 0.00 0.00 64.21 57.99 1mwa n SER 138 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1mwa s THR 139 N -2.42 4.64 0.00 0.44 -1.32 -1.26 -4.79 115.64 110.94 1mwa s THR 139 Ca 0.22 1.60 0.00 0.00 -1.21 0.00 0.00 61.69 62.31 1mwa s THR 139 Cb -0.06 -4.30 0.00 0.00 -1.51 0.00 0.00 72.50 66.63 1mwa s THR 139 CO 0.77 -0.34 0.00 0.00 -2.21 0.00 0.00 174.62 172.84 1mwa n LEU 140 N 6.53 0.00 -3.77 9.08 -0.00 -1.26 -3.26 117.00 124.32 1mwa n LEU 140 Ca 0.09 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.98 1mwa n LEU 140 Cb 0.47 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.77 1mwa n LEU 140 CO 0.55 0.00 -0.08 0.00 -0.00 0.00 0.00 177.39 177.85 1mwa s LEU 142 N 0.44 3.05 0.00 0.00 1.98 -1.15 -3.64 118.68 119.37 1mwa s LEU 142 Ca -0.02 -0.10 0.07 0.00 -2.89 0.00 0.00 54.13 51.18 1mwa s LEU 142 Cb -0.04 -1.67 0.07 0.00 0.66 0.00 0.00 46.19 45.21 1mwa s LEU 142 CO -0.02 0.31 0.57 0.49 -1.89 0.00 0.00 176.35 175.81 1mwa n PHE 143 N 2.54 -2.13 0.00 5.38 3.01 -1.26 -2.78 117.46 122.21 1mwa n PHE 143 Ca -0.18 -1.68 0.00 0.00 1.01 0.00 0.00 57.45 56.60 1mwa n PHE 143 Cb 0.53 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 1mwa n PHE 143 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1mwa n THR 144 N -1.89 0.00 -1.58 4.37 5.66 -1.22 -4.65 114.28 114.97 1mwa n THR 144 Ca 0.10 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1mwa n THR 144 Cb 0.47 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.25 1mwa n THR 144 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1mwa n ASP 145 N 0.00 -5.22 -3.58 1.09 8.00 -1.23 -4.79 116.55 110.82 1mwa n ASP 145 Ca 0.00 0.80 -0.11 0.00 0.71 0.00 0.00 54.79 56.19 1mwa n ASP 145 Cb 0.00 -2.81 -0.04 0.00 -0.02 0.00 0.00 41.12 38.25 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 -0.26 -0.31 -0.16 1.24 -0.12 -1.26 -4.15 117.98 112.96 1mwa s PHE 146 Ca -0.00 0.06 -0.28 0.00 -0.05 0.00 0.00 56.93 56.66 1mwa s PHE 146 Cb 0.00 0.34 -0.01 0.00 -0.63 0.00 0.00 43.02 42.72 1mwa s PHE 146 CO 0.00 -0.73 0.94 -0.51 -0.05 0.00 0.00 175.22 174.88 1mwa s ASP 147 N -2.68 7.10 -1.33 1.98 -0.00 -1.26 -4.94 116.67 115.54 1mwa s ASP 147 Ca 0.01 1.35 -0.13 0.00 -0.00 0.00 0.00 52.55 53.79 1mwa s ASP 147 Cb 0.01 -2.51 -0.04 0.00 -0.00 0.00 0.00 42.92 40.38 1mwa s ASP 147 CO -0.11 -0.47 2.38 -1.54 -0.00 0.00 0.00 175.17 175.43 1mwa n SER 148 N 5.36 5.20 0.00 0.27 3.41 -1.26 -3.73 113.62 122.88 1mwa n SER 148 Ca 0.08 -2.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.01 1mwa n SER 148 Cb 0.48 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 1mwa n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mwa n GLN 149 N 5.28 0.00 -3.69 4.33 1.13 -1.26 -5.03 117.38 118.14 1mwa n GLN 149 Ca 0.58 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 55.27 1mwa n GLN 149 Cb 0.31 -0.37 -0.06 0.00 0.11 0.00 0.00 30.24 30.24 1mwa n GLN 149 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1mwa s ILE 150 N -1.00 5.28 0.15 5.09 1.01 -1.24 -5.07 121.20 125.42 1mwa s ILE 150 Ca 0.00 0.51 -0.28 0.00 0.00 0.00 0.00 60.65 60.88 1mwa s ILE 150 Cb 0.00 -3.55 -0.07 0.00 0.01 0.00 0.00 42.46 38.85 1mwa s ILE 150 CO 0.00 0.59 0.87 0.54 0.00 0.00 0.00 174.94 176.94 1mwa s ASN 151 N -0.97 7.46 0.18 3.58 6.03 -1.26 -5.01 114.94 124.94 1mwa s ASN 151 Ca 0.19 1.73 -0.32 0.00 -1.03 0.00 0.00 52.86 53.43 1mwa s ASN 151 Cb -0.14 -2.55 -0.10 0.00 -3.03 0.00 0.00 41.25 35.43 1mwa s ASN 151 CO 0.08 0.09 1.58 -0.69 -2.03 0.00 0.00 177.10 176.13 1mwa s VAL 152 N -0.66 2.55 -0.28 3.54 1.01 -1.26 -4.88 120.40 120.42 1mwa s VAL 152 Ca 0.41 0.40 -0.28 0.00 0.00 0.00 0.00 61.98 62.50 1mwa s VAL 152 Cb -0.23 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1mwa s VAL 152 CO 0.28 0.03 1.90 -2.16 0.00 0.00 0.00 175.10 175.16 1mwa s PRO 153 N 1.05 3.33 0.00 2.72 0.04 -1.26 -4.98 135.00 135.90 1mwa s PRO 153 Ca 0.70 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1mwa s PRO 153 Cb -0.44 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 29.86 1mwa s PRO 153 CO 0.32 -1.87 0.00 1.63 0.04 0.00 0.00 177.00 177.12 1mwa n LYS 154 N 8.45 1.52 -3.98 4.56 5.02 -1.26 -4.85 118.16 127.62 1mwa n LYS 154 Ca 0.24 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.44 1mwa n LYS 154 Cb 0.46 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.37 1mwa n LYS 154 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1mwa s THR 155 N 0.00 0.13 -0.40 -0.18 -1.32 -1.26 -4.87 115.64 107.73 1mwa s THR 155 Ca 0.00 -1.08 0.11 0.00 -1.21 0.00 0.00 61.69 59.51 1mwa s THR 155 Cb 0.00 -0.63 0.40 0.00 -1.51 0.00 0.00 72.50 70.77 1mwa s THR 155 CO 0.00 -0.60 0.93 1.15 -2.21 0.00 0.00 174.62 173.90 1mwa n MET 156 N 1.16 1.99 -3.19 7.08 0.00 -1.26 -5.01 117.12 117.89 1mwa n MET 156 Ca -0.21 -3.85 0.04 0.00 0.00 0.00 0.00 57.70 53.68 1mwa n MET 156 Cb 0.57 -1.76 -0.01 0.00 0.00 0.00 0.00 33.22 32.01 1mwa n MET 156 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1mwa s GLU 157 N -3.11 0.51 -0.92 3.17 2.12 -1.26 -5.07 118.70 114.13 1mwa s GLU 157 Ca 0.39 0.93 -0.27 0.00 0.36 0.00 0.00 54.97 56.38 1mwa s GLU 157 Cb 0.39 0.52 -0.24 0.00 0.26 0.00 0.00 34.13 35.06 1mwa s GLU 157 CO -0.07 -0.52 2.00 0.45 -0.54 0.00 0.00 175.26 176.58 1mwa n SER 158 N 5.43 1.56 0.00 -1.70 2.88 -1.26 -2.22 113.62 118.30 1mwa n SER 158 Ca -0.03 -2.53 0.00 0.00 -1.33 0.00 0.00 58.87 54.98 1mwa n SER 158 Cb 0.51 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 1mwa n SER 158 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1mwa n GLY 159 N 5.85 0.05 3.60 0.46 0.00 -1.26 -5.12 105.19 108.78 1mwa n GLY 159 Ca 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.43 0.18 2.61 2.01 -0.94 -4.10 115.64 114.96 1mwa s THR 160 Ca 0.00 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.02 1mwa s THR 160 Cb 0.00 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.56 1mwa s THR 160 CO 0.00 0.01 0.07 0.49 -0.69 0.00 0.00 174.62 174.50 1mwa n PHE 161 N 4.82 -0.48 -3.91 4.92 3.01 -1.26 -4.59 117.46 119.96 1mwa n PHE 161 Ca -0.16 -0.80 -0.10 0.00 1.01 0.00 0.00 57.45 57.39 1mwa n PHE 161 Cb 0.54 -0.13 -0.10 0.00 -0.01 0.00 0.00 39.48 39.79 1mwa n PHE 161 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1mwa s ILE 162 N -1.22 0.11 0.21 4.37 -1.09 -1.26 -4.58 121.20 117.75 1mwa s ILE 162 Ca 0.06 -0.93 -0.01 0.00 -2.23 0.00 0.00 60.65 57.54 1mwa s ILE 162 Cb -0.00 -0.69 0.04 0.00 -1.58 0.00 0.00 42.46 40.23 1mwa s ILE 162 CO 0.04 -0.51 0.29 0.35 -1.23 0.00 0.00 174.94 173.87 1mwa n THR 163 N 1.06 0.00 0.00 2.92 -2.24 -1.26 -4.97 114.28 109.79 1mwa n THR 163 Ca -0.21 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1mwa n THR 163 Cb 0.57 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 1mwa n THR 163 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1mwa n ASP 164 N -3.01 0.00 -3.54 3.42 8.00 -1.26 -4.93 116.55 115.23 1mwa n ASP 164 Ca 0.05 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.43 1mwa n ASP 164 Cb 0.16 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.22 1mwa n ASP 164 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mwa s ALA 165 N -4.33 -1.85 0.11 2.24 0.00 -1.26 -4.81 121.76 111.85 1mwa s ALA 165 Ca 0.00 1.31 -0.00 0.00 0.00 0.00 0.00 51.96 53.27 1mwa s ALA 165 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1mwa s ALA 165 CO 0.00 -0.46 0.14 0.25 0.00 0.00 0.00 175.76 175.69 1mwa n THR 166 N 0.41 0.00 -3.74 0.00 -2.24 -0.73 -5.00 114.28 102.97 1mwa n THR 166 Ca -0.12 -0.58 -0.10 0.00 -2.27 0.00 0.00 64.05 60.99 1mwa n THR 166 Cb 0.59 0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 69.11 1mwa n THR 166 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1mwa s VAL 167 N -2.53 0.10 -0.10 2.28 -7.23 -1.26 -3.53 120.40 108.12 1mwa s VAL 167 Ca 0.09 -0.81 -0.04 0.00 -1.81 0.00 0.00 61.98 59.41 1mwa s VAL 167 Cb -0.00 -1.18 0.05 0.00 0.56 0.00 0.00 36.38 35.81 1mwa s VAL 167 CO 0.07 -0.45 0.22 -1.48 -0.31 0.00 0.00 175.10 173.15 1mwa s LEU 168 N -2.65 0.15 0.16 1.32 2.34 0.68 -4.96 118.68 115.72 1mwa s LEU 168 Ca 0.02 0.47 0.04 0.00 0.06 0.00 0.00 54.13 54.73 1mwa s LEU 168 Cb 0.02 0.58 -0.04 0.00 -0.56 0.00 0.00 46.19 46.20 1mwa s LEU 168 CO -0.10 -0.20 0.16 -0.62 -1.06 0.00 0.00 176.35 174.53 1mwa s ASP 169 N 1.79 5.68 0.16 1.48 2.15 -1.26 -2.76 116.67 123.92 1mwa s ASP 169 Ca -0.04 -0.06 0.02 0.00 0.43 0.00 0.00 52.55 52.90 1mwa s ASP 169 Cb -0.11 -1.54 -0.01 0.00 -0.30 0.00 0.00 42.92 40.96 1mwa s ASP 169 CO -0.08 0.07 0.07 0.80 -0.17 0.00 0.00 175.17 175.87 1mwa n MET 170 N -0.33 0.64 0.08 4.34 0.00 -1.25 -5.05 117.12 115.55 1mwa n MET 170 Ca -0.08 -1.39 0.12 0.00 -0.00 0.00 0.00 57.70 56.35 1mwa n MET 170 Cb 0.54 0.84 0.14 0.00 0.00 0.00 0.00 33.22 34.75 1mwa n MET 170 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1mwa h LYS 171 N 0.00 0.00 -6.53 2.12 1.57 -2.00 -3.43 116.57 108.30 1mwa h LYS 171 Ca -0.12 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.06 1mwa h LYS 171 Cb 0.49 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.90 1mwa h LYS 171 CO 0.19 0.00 0.34 0.00 -0.57 0.00 0.00 179.45 179.41 1mwa n ALA 172 N -1.91 0.28 0.04 3.86 0.00 -1.26 -4.79 120.51 116.73 1mwa n ALA 172 Ca 0.03 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1mwa n ALA 172 Cb 0.47 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1mwa n ALA 172 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1mwa n MET 173 N 1.18 0.50 -0.79 0.00 2.81 -1.26 -0.37 117.12 119.20 1mwa n MET 173 Ca 0.10 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.97 1mwa n MET 173 Cb 0.31 -1.25 -0.01 0.00 -0.71 0.00 0.00 33.22 31.56 1mwa n MET 173 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1mwa n ASP 174 N 1.36 -0.28 -2.36 7.83 -0.08 -1.26 -5.03 116.55 116.73 1mwa n ASP 174 Ca 0.00 -0.64 -0.08 0.00 -1.51 0.00 0.00 54.79 52.56 1mwa n ASP 174 Cb 0.25 0.09 -0.08 0.00 2.34 0.00 0.00 41.12 43.73 1mwa n ASP 174 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1mwa n SER 175 N -0.06 2.79 -3.34 1.67 7.64 0.50 -4.57 113.62 118.25 1mwa n SER 175 Ca -0.07 -2.02 -0.41 0.00 1.01 0.00 0.00 58.87 57.39 1mwa n SER 175 Cb 0.40 -0.74 0.03 0.00 -1.01 0.00 0.00 64.21 62.89 1mwa n SER 175 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1mwa n LYS 176 N 2.94 4.34 -2.89 1.43 5.02 -1.26 -3.93 118.16 123.81 1mwa n LYS 176 Ca 0.23 -4.19 -0.40 0.00 -2.02 0.00 0.00 58.31 51.93 1mwa n LYS 176 Cb 0.41 -2.39 -0.05 0.00 -0.02 0.00 0.00 35.03 32.99 1mwa n LYS 176 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1mwa s SER 177 N -1.23 7.35 0.00 4.39 0.15 -1.11 -4.68 113.70 118.56 1mwa s SER 177 Ca 0.44 1.61 0.00 0.00 0.70 0.00 0.00 55.95 58.70 1mwa s SER 177 Cb 0.29 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 1mwa s SER 177 CO -0.25 0.02 0.00 0.59 1.20 0.00 0.00 173.24 174.80 1mwa n ASN 178 N 2.59 0.75 0.00 5.45 4.13 -1.26 -0.23 115.26 126.69 1mwa n ASN 178 Ca -0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.25 1mwa n ASN 178 Cb 0.50 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 1mwa n ASN 178 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1mwa n GLY 179 N 4.02 2.06 2.95 7.41 0.00 -1.23 -3.43 105.19 116.97 1mwa n GLY 179 Ca 0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 46.02 44.77 1mwa n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mwa s ALA 180 N -1.99 -2.15 0.20 4.61 0.00 -1.26 -1.78 121.76 119.39 1mwa s ALA 180 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.48 1mwa s ALA 180 Cb 0.00 -2.70 -0.08 0.00 0.00 0.00 0.00 23.12 20.34 1mwa s ALA 180 CO 0.00 -2.23 1.15 0.42 0.00 0.00 0.00 175.76 175.10 1mwa s ILE 181 N 1.29 3.63 -0.22 0.00 1.01 -1.26 -4.60 121.20 121.05 1mwa s ILE 181 Ca 0.24 1.43 -0.14 0.00 0.00 0.00 0.00 60.65 62.18 1mwa s ILE 181 Cb -0.02 -3.91 0.06 0.00 0.01 0.00 0.00 42.46 38.60 1mwa s ILE 181 CO -0.06 0.26 0.54 0.00 0.00 0.00 0.00 174.94 175.68 1mwa s ALA 182 N -0.35 -1.42 0.00 9.38 0.00 -1.24 -4.07 121.76 124.06 1mwa s ALA 182 Ca 0.50 1.84 0.00 0.00 0.00 0.00 0.00 51.96 54.30 1mwa s ALA 182 Cb -0.32 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.71 1mwa s ALA 182 CO 0.37 -0.30 0.00 -2.67 0.00 0.00 0.00 175.76 173.16 1mwa n TRP 183 N 3.88 0.00 -3.64 0.00 2.14 -1.26 -3.06 117.44 115.50 1mwa n TRP 183 Ca -0.20 0.00 -0.04 0.00 2.07 0.00 0.00 57.50 59.33 1mwa n TRP 183 Cb 0.57 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 31.00 1mwa n TRP 183 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 1mwa s SER 184 N 0.97 -0.36 -0.14 -0.67 1.04 -1.20 -4.40 113.70 108.94 1mwa s SER 184 Ca 0.00 0.63 0.16 0.00 0.48 0.00 0.00 55.95 57.22 1mwa s SER 184 Cb 0.00 0.87 0.63 0.00 0.10 0.00 0.00 66.02 67.63 1mwa s SER 184 CO 0.00 -0.10 1.55 -0.46 0.98 0.00 0.00 173.24 175.20 1mwa n ASN 185 N 2.72 4.45 -1.96 7.02 0.23 -1.26 -4.17 115.26 122.30 1mwa n ASN 185 Ca -0.15 -2.62 0.00 0.00 -0.53 0.00 0.00 54.58 51.29 1mwa n ASN 185 Cb 0.57 -0.54 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 1mwa n ASN 185 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 1mwa n GLN 186 N 0.53 1.41 -0.10 -3.83 -0.06 -1.26 -5.08 117.38 108.99 1mwa n GLN 186 Ca 0.23 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 55.11 1mwa n GLN 186 Cb 0.88 0.00 0.11 0.00 -4.06 0.00 0.00 30.24 27.17 1mwa n GLN 186 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1mwa n THR 187 N -0.36 0.00 -1.78 1.69 -2.24 -1.26 -4.76 114.28 105.57 1mwa n THR 187 Ca 0.00 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.37 1mwa n THR 187 Cb 0.00 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 67.79 1mwa n THR 187 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1mwa s SER 188 N -2.43 5.22 -0.33 3.42 0.15 -1.26 -4.89 113.70 113.58 1mwa s SER 188 Ca 0.26 1.18 0.01 0.00 0.70 0.00 0.00 55.95 58.10 1mwa s SER 188 Cb -0.04 -2.52 0.10 0.00 -1.71 0.00 0.00 66.02 61.85 1mwa s SER 188 CO 0.22 -2.26 0.09 -0.36 1.20 0.00 0.00 173.24 172.13 1mwa s PHE 189 N 9.27 2.60 0.00 3.44 0.08 -1.26 -5.10 117.98 127.02 1mwa s PHE 189 Ca 0.87 -2.32 0.00 0.00 0.12 0.00 0.00 56.93 55.60 1mwa s PHE 189 Cb -0.21 -2.25 0.00 0.00 -0.57 0.00 0.00 43.02 39.99 1mwa s PHE 189 CO 0.29 -0.90 0.00 0.25 -0.10 0.00 0.00 175.22 174.76 1mwa n THR 190 N 4.50 0.00 -3.03 0.64 -2.24 -1.26 -4.75 114.28 108.15 1mwa n THR 190 Ca 0.01 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.55 1mwa n THR 190 Cb 0.41 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 1mwa n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mwa n GLN 192 N -0.06 0.00 0.00 0.00 6.02 -1.26 -4.80 117.38 117.28 1mwa n GLN 192 Ca 0.29 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.39 1mwa n GLN 192 Cb 0.48 0.00 0.52 0.00 1.02 0.00 0.00 30.24 32.26 1mwa n GLN 192 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1mwa n ASP 193 N 0.00 0.00 0.00 1.08 9.92 -1.26 -3.75 116.55 122.54 1mwa n ASP 193 Ca 0.00 0.40 0.00 0.00 -0.53 0.00 0.00 54.79 54.66 1mwa n ASP 193 Cb 0.26 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 1mwa n ASP 193 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mwa n ILE 194 N -1.46 0.00 -0.24 0.53 0.13 -1.26 -4.82 119.36 112.24 1mwa n ILE 194 Ca 0.07 0.00 -0.07 0.00 -1.10 0.00 0.00 62.75 61.65 1mwa n ILE 194 Cb 0.26 -0.19 0.02 0.00 -0.84 0.00 0.00 39.64 38.89 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 -1.26 0.68 0.20 9.51 0.99 -1.26 -4.38 117.46 121.95 1mwa n PHE 195 Ca 0.00 -1.20 0.05 0.00 -0.00 0.00 0.00 57.45 56.30 1mwa n PHE 195 Cb 0.12 -0.60 0.43 0.00 -1.00 0.00 0.00 39.48 38.44 1mwa n PHE 195 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 1mwa h LYS 196 N 0.85 0.00 0.00 -1.08 1.57 -1.88 -3.28 116.57 112.76 1mwa h LYS 196 Ca 0.13 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1mwa h LYS 196 Cb 1.12 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.38 1mwa h LYS 196 CO 0.30 0.32 -0.41 0.39 -0.57 0.00 0.00 179.45 179.48 1mwa n GLU 197 N -3.87 0.50 0.21 3.15 1.02 -1.26 -4.87 120.64 115.52 1mwa n GLU 197 Ca -0.01 -1.77 -0.08 0.00 -0.02 0.00 0.00 57.16 55.28 1mwa n GLU 197 Cb 0.39 -0.82 -0.04 0.00 -0.02 0.00 0.00 31.44 30.95 1mwa n GLU 197 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1mwa h THR 198 N 4.45 0.00 0.00 2.62 2.02 -1.85 -3.48 112.91 116.67 1mwa h THR 198 Ca -0.03 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1mwa h THR 198 Cb 1.31 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1mwa h THR 198 CO 0.01 0.00 0.00 -3.20 0.37 0.00 0.00 175.52 172.70 1mwa n ASN 203 N -3.50 0.00 -2.93 4.18 5.15 -1.26 -5.13 115.26 111.77 1mwa n ASN 203 Ca -0.07 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.85 1mwa n ASN 203 Cb 0.21 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.48 1mwa n ASN 203 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mwa n ALA 204 N 0.00 -2.08 -3.12 5.20 0.00 -1.26 -5.15 120.51 114.10 1mwa n ALA 204 Ca 0.00 -1.13 -0.09 0.00 0.00 0.00 0.00 53.44 52.22 1mwa n ALA 204 Cb 0.00 0.80 -0.06 0.00 0.00 0.00 0.00 19.45 20.20 1mwa n ALA 204 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1mwa s THR 205 N -2.11 0.00 -0.47 0.00 -1.32 -1.26 -4.51 115.64 105.98 1mwa s THR 205 Ca 0.18 -1.43 0.03 0.00 -1.21 0.00 0.00 61.69 59.25 1mwa s THR 205 Cb -0.04 -2.21 0.15 0.00 -1.51 0.00 0.00 72.50 68.89 1mwa s THR 205 CO 0.09 -0.01 0.30 -0.31 -2.21 0.00 0.00 174.62 172.48 1mwa s TYR 206 N -4.02 1.91 -0.29 9.09 1.51 -1.26 -4.78 117.35 119.52 1mwa s TYR 206 Ca 0.23 -2.46 -0.30 0.00 -1.01 0.00 0.00 57.07 53.52 1mwa s TYR 206 Cb -0.00 -1.71 -0.07 0.00 -0.11 0.00 0.00 41.96 40.06 1mwa s TYR 206 CO 0.09 -0.76 2.23 -2.30 -1.11 0.00 0.00 175.55 173.70 1mwa n PRO 207 N 3.20 1.57 -1.88 -1.71 -0.02 -1.26 -4.55 135.00 130.36 1mwa n PRO 207 Ca 0.15 0.41 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 1mwa n PRO 207 Cb 0.38 -2.97 0.05 0.00 -0.02 0.00 0.00 33.50 30.93 1mwa n PRO 207 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1mwa s SER 208 N 8.29 5.35 0.00 2.55 0.01 -1.26 -5.02 113.70 123.62 1mwa s SER 208 Ca 1.04 1.11 0.00 0.00 1.31 0.00 0.00 55.95 59.41 1mwa s SER 208 Cb -0.51 -1.88 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1mwa s SER 208 CO 0.39 -1.40 0.00 -1.20 0.41 0.00 0.00 173.24 171.45 1mwa n SER 209 N -3.04 0.00 -3.66 2.44 7.64 -1.26 -5.11 113.62 110.63 1mwa n SER 209 Ca 0.07 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.90 1mwa n SER 209 Cb 0.57 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.71 1mwa n SER 209 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1mwa s ASP 210 N 2.00 -0.79 0.66 6.43 3.68 -1.26 -5.16 116.67 122.24 1mwa s ASP 210 Ca 0.00 1.33 -0.17 0.00 2.13 0.00 0.00 52.55 55.84 1mwa s ASP 210 Cb 0.00 1.71 -0.04 0.00 -1.45 0.00 0.00 42.92 43.13 1mwa s ASP 210 CO 0.00 -0.22 0.72 1.33 0.13 0.00 0.00 175.17 177.12 1mwa n VAL 211 N 5.10 2.56 -1.59 1.11 0.24 -1.26 -4.82 118.33 119.67 1mwa n VAL 211 Ca -0.14 -0.44 -0.42 0.00 -2.04 0.00 0.00 64.34 61.31 1mwa n VAL 211 Cb 0.52 -0.89 -0.03 0.00 -1.47 0.00 0.00 33.84 31.96 1mwa n VAL 211 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1mwa n PRO 212 N -0.90 1.79 0.00 7.34 -0.02 -1.26 -5.34 135.00 136.61 1mwa n PRO 212 Ca 0.12 0.44 0.13 0.00 -2.02 0.00 0.00 63.50 62.17 1mwa n PRO 212 Cb 0.49 -3.26 0.38 0.00 -0.02 0.00 0.00 33.50 31.09 1mwa n PRO 212 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48