#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwg s LEU 2 N 0.00 4.47 -0.18 4.31 1.43 -1.26 -5.02 118.68 122.43 1uwg s LEU 2 Ca 0.00 2.33 -0.08 0.00 -1.03 0.00 0.00 54.13 55.35 1uwg s LEU 2 Cb 0.00 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 1uwg s LEU 2 CO 0.00 -0.36 0.10 -0.69 0.23 0.00 0.00 176.35 175.64 1uwg s VAL 3 N -0.47 5.18 -0.33 -1.59 1.01 -1.26 -4.79 120.40 118.15 1uwg s VAL 3 Ca 0.51 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.53 1uwg s VAL 3 Cb -0.34 -3.33 0.04 0.00 0.00 0.00 0.00 36.38 32.75 1uwg s VAL 3 CO 0.40 0.48 0.09 -0.04 0.00 0.00 0.00 175.10 176.04 1uwg s MET 4 N 0.08 2.62 -0.22 2.72 -1.94 -1.26 -2.74 119.30 118.56 1uwg s MET 4 Ca 0.08 -1.18 -0.07 0.00 -1.71 0.00 0.00 55.69 52.81 1uwg s MET 4 Cb -0.12 -3.43 -0.04 0.00 2.01 0.00 0.00 34.83 33.26 1uwg s MET 4 CO -0.00 -0.65 0.07 -0.08 -0.01 0.00 0.00 175.02 174.35 1uwg s THR 5 N 1.39 4.59 -0.09 2.05 -1.32 -0.22 -3.79 115.64 118.26 1uwg s THR 5 Ca -0.02 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 1uwg s THR 5 Cb -0.19 -3.11 -0.03 0.00 -1.51 0.00 0.00 72.50 67.66 1uwg s THR 5 CO 0.02 0.39 -0.08 -1.58 -2.21 0.00 0.00 174.62 171.16 1uwg s GLN 6 N 1.02 2.93 -0.03 7.08 0.74 -1.26 -1.03 119.66 129.11 1uwg s GLN 6 Ca 0.04 -0.58 -0.04 0.00 0.05 0.00 0.00 55.36 54.84 1uwg s GLN 6 Cb -0.14 -2.62 0.01 0.00 1.10 0.00 0.00 33.01 31.36 1uwg s GLN 6 CO 0.03 0.55 0.09 -1.12 -0.55 0.00 0.00 175.29 174.29 1uwg s SER 7 N -0.49 -0.05 0.63 6.67 0.01 -0.67 -4.38 113.70 115.41 1uwg s SER 7 Ca 0.07 0.07 -0.06 0.00 1.31 0.00 0.00 55.95 57.34 1uwg s SER 7 Cb -0.12 0.20 0.03 0.00 0.21 0.00 0.00 66.02 66.34 1uwg s SER 7 CO 0.02 -0.12 0.94 -2.16 0.41 0.00 0.00 173.24 172.33 1uwg s PRO 8 N -0.33 2.63 0.12 12.44 0.04 -1.26 0.16 135.00 148.80 1uwg s PRO 8 Ca -0.04 -0.14 -0.14 0.00 0.04 0.00 0.00 61.00 60.72 1uwg s PRO 8 Cb -0.03 -2.25 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1uwg s PRO 8 CO 0.00 -0.90 1.52 0.87 0.04 0.00 0.00 177.00 178.54 1uwg h LYS 9 N -0.32 0.75 -4.25 4.56 6.56 -1.80 -3.40 116.57 118.66 1uwg h LYS 9 Ca -0.45 -0.29 -0.20 0.00 -1.06 0.00 0.00 60.65 58.65 1uwg h LYS 9 Cb 1.28 -0.04 -0.20 0.00 -0.57 0.00 0.00 32.23 32.70 1uwg h LYS 9 CO 0.60 0.89 -0.71 0.12 -2.06 0.00 0.00 179.45 178.29 1uwg s PHE 10 N -4.77 0.47 -0.28 -1.35 5.36 -1.26 -0.55 117.98 115.60 1uwg s PHE 10 Ca -0.13 -0.60 -0.21 0.00 -0.96 0.00 0.00 56.93 55.03 1uwg s PHE 10 Cb 0.10 -0.31 0.11 0.00 -0.34 0.00 0.00 43.02 42.58 1uwg s PHE 10 CO 0.81 -0.17 0.88 1.41 -1.46 0.00 0.00 175.22 176.69 1uwg s MET 11 N -1.92 0.59 -0.13 10.12 -2.45 0.04 -4.89 119.30 120.65 1uwg s MET 11 Ca -0.10 0.84 0.01 0.00 -1.25 0.00 0.00 55.69 55.19 1uwg s MET 11 Cb -0.07 0.22 -0.00 0.00 1.25 0.00 0.00 34.83 36.22 1uwg s MET 11 CO -0.02 -0.09 -0.17 0.45 1.05 0.00 0.00 175.02 176.24 1uwg s SER 12 N 0.82 3.57 0.01 1.11 0.15 -1.26 -1.15 113.70 116.96 1uwg s SER 12 Ca -0.03 -0.46 -0.02 0.00 0.70 0.00 0.00 55.95 56.14 1uwg s SER 12 Cb -0.05 -1.53 -0.01 0.00 -1.71 0.00 0.00 66.02 62.72 1uwg s SER 12 CO -0.10 0.13 0.02 0.28 1.20 0.00 0.00 173.24 174.77 1uwg s THR 13 N 0.56 0.09 0.89 6.45 -1.32 -0.89 -4.72 115.64 116.69 1uwg s THR 13 Ca -0.11 -0.75 -0.11 0.00 -1.21 0.00 0.00 61.69 59.50 1uwg s THR 13 Cb -0.16 -0.28 0.13 0.00 -1.51 0.00 0.00 72.50 70.67 1uwg s THR 13 CO 0.04 -0.41 1.09 -0.44 -2.21 0.00 0.00 174.62 172.69 1uwg s SER 14 N -1.27 3.51 -0.01 8.08 0.01 -1.26 -1.27 113.70 121.49 1uwg s SER 14 Ca -0.14 1.53 -0.30 0.00 1.31 0.00 0.00 55.95 58.35 1uwg s SER 14 Cb -0.08 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 1uwg s SER 14 CO -0.00 -2.62 1.20 -0.69 0.41 0.00 0.00 173.24 171.54 1uwg s VAL 15 N -2.92 4.18 0.00 3.43 1.01 -1.26 -2.77 120.40 122.06 1uwg s VAL 15 Ca 0.63 1.53 0.00 0.00 0.00 0.00 0.00 61.98 64.15 1uwg s VAL 15 Cb -0.18 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1uwg s VAL 15 CO 0.57 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.32 1uwg n GLY 16 N 3.31 0.77 3.63 4.51 0.00 -0.17 -4.95 105.19 112.29 1uwg n GLY 16 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1uwg n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uwg s ASP 17 N -1.93 1.63 -0.11 1.61 1.01 -1.12 -4.49 116.67 113.27 1uwg s ASP 17 Ca 0.00 0.87 0.00 0.00 0.71 0.00 0.00 52.55 54.13 1uwg s ASP 17 Cb 0.00 -1.31 0.02 0.00 1.01 0.00 0.00 42.92 42.65 1uwg s ASP 17 CO 0.00 -3.71 -0.10 -0.60 0.21 0.00 0.00 175.17 170.97 1uwg s ARG 18 N -5.20 1.74 0.07 8.23 3.52 -1.26 -2.50 118.95 123.55 1uwg s ARG 18 Ca 0.68 -0.36 0.07 0.00 -0.13 0.00 0.00 55.73 56.00 1uwg s ARG 18 Cb -0.14 -1.68 -0.03 0.00 -1.56 0.00 0.00 34.95 31.55 1uwg s ARG 18 CO 0.57 -0.20 -0.19 0.14 -0.81 0.00 0.00 175.30 174.81 1uwg s VAL 19 N 1.45 1.50 -0.12 7.11 -7.23 -0.96 -4.99 120.40 117.16 1uwg s VAL 19 Ca 0.01 -1.34 -0.00 0.00 -1.81 0.00 0.00 61.98 58.84 1uwg s VAL 19 Cb -0.13 -1.36 0.02 0.00 0.56 0.00 0.00 36.38 35.47 1uwg s VAL 19 CO -0.06 -0.02 -0.09 -0.44 -0.31 0.00 0.00 175.10 174.18 1uwg s SER 20 N -1.59 2.30 0.13 4.85 0.01 -1.26 -1.65 113.70 116.49 1uwg s SER 20 Ca 0.04 -0.35 -0.17 0.00 1.31 0.00 0.00 55.95 56.78 1uwg s SER 20 Cb -0.09 -0.92 -0.07 0.00 0.21 0.00 0.00 66.02 65.14 1uwg s SER 20 CO 0.03 -0.10 0.59 -0.69 0.41 0.00 0.00 173.24 173.47 1uwg s VAL 21 N 1.66 4.76 0.11 3.43 1.01 0.85 -4.70 120.40 127.51 1uwg s VAL 21 Ca 0.05 1.07 0.10 0.00 0.00 0.00 0.00 61.98 63.20 1uwg s VAL 21 Cb -0.13 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1uwg s VAL 21 CO -0.09 0.37 -0.24 -0.89 0.00 0.00 0.00 175.10 174.25 1uwg s THR 22 N -1.32 2.44 -0.04 3.92 2.01 0.12 -0.68 115.64 122.10 1uwg s THR 22 Ca 0.35 -1.59 0.01 0.00 0.31 0.00 0.00 61.69 60.77 1uwg s THR 22 Cb -0.17 -2.07 0.02 0.00 0.01 0.00 0.00 72.50 70.29 1uwg s THR 22 CO 0.19 0.16 -0.05 0.00 -0.69 0.00 0.00 174.62 174.23 1uwg s LYS 24 N 0.76 3.35 0.22 0.00 2.20 -0.20 -1.84 119.74 124.23 1uwg s LYS 24 Ca -0.10 -0.67 -0.02 0.00 -0.36 0.00 0.00 55.97 54.82 1uwg s LYS 24 Cb -0.13 -2.80 -0.05 0.00 -1.51 0.00 0.00 37.83 33.34 1uwg s LYS 24 CO 0.00 -0.01 0.44 0.00 -0.36 0.00 0.00 175.35 175.42 1uwg s ALA 25 N 0.95 3.76 -0.73 3.13 0.00 -0.03 -1.06 121.76 127.78 1uwg s ALA 25 Ca -0.02 -0.71 0.14 0.00 0.00 0.00 0.00 51.96 51.37 1uwg s ALA 25 Cb -0.15 -2.11 0.69 0.00 0.00 0.00 0.00 23.12 21.55 1uwg s ALA 25 CO -0.01 0.39 1.57 -1.13 0.00 0.00 0.00 175.76 176.59 1uwg n SER 26 N -0.68 4.78 -3.65 0.00 3.41 -1.11 -4.79 113.62 111.59 1uwg n SER 26 Ca -0.03 -2.63 -0.01 0.00 -0.26 0.00 0.00 58.87 55.94 1uwg n SER 26 Cb 0.54 -0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 1uwg n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1uwg s GLN 27 N -2.22 0.22 -0.42 4.33 -0.21 -1.26 -4.98 119.66 115.11 1uwg s GLN 27 Ca 0.47 0.36 -0.38 0.00 0.02 0.00 0.00 55.36 55.83 1uwg s GLN 27 Cb 0.33 0.05 -0.16 0.00 1.00 0.00 0.00 33.01 34.23 1uwg s GLN 27 CO 0.18 -0.04 1.69 -1.71 -2.12 0.00 0.00 175.29 173.28 1uwg n ASN 28 N 3.20 0.74 -0.95 5.90 2.85 -1.26 -4.74 115.26 121.01 1uwg n ASN 28 Ca -0.17 0.69 0.08 0.00 -0.11 0.00 0.00 54.58 55.07 1uwg n ASN 28 Cb 0.57 -0.76 0.23 0.00 1.24 0.00 0.00 39.78 41.06 1uwg n ASN 28 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1uwg n VAL 29 N 4.93 1.23 0.00 3.44 0.24 0.51 -4.99 118.33 123.69 1uwg n VAL 29 Ca 0.41 -1.11 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 1uwg n VAL 29 Cb -0.04 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 1uwg n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1uwg n GLY 30 N 0.76 2.47 0.14 7.63 0.00 -1.25 -2.27 105.19 112.67 1uwg n GLY 30 Ca 0.17 -0.30 0.10 0.00 0.00 0.00 0.00 46.02 45.99 1uwg n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uwg n THR 31 N 0.00 1.90 -1.33 2.61 -2.24 -1.26 -0.75 114.28 113.21 1uwg n THR 31 Ca 0.00 -2.21 -0.38 0.00 -2.27 0.00 0.00 64.05 59.19 1uwg n THR 31 Cb 0.00 -0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 67.98 1uwg n THR 31 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1uwg n HIS 32 N -1.34 2.51 -4.48 4.78 8.25 -0.96 -2.47 115.22 121.51 1uwg n HIS 32 Ca 0.16 -2.99 -0.21 0.00 -0.26 0.00 0.00 57.72 54.42 1uwg n HIS 32 Cb 0.65 -2.44 -0.14 0.00 1.12 0.00 0.00 29.99 29.18 1uwg n HIS 32 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1uwg s VAL 33 N 2.44 1.17 0.29 1.59 -7.23 -1.26 -1.08 120.40 116.33 1uwg s VAL 33 Ca 0.64 -0.89 0.10 0.00 -1.81 0.00 0.00 61.98 60.03 1uwg s VAL 33 Cb 0.17 -1.03 -0.05 0.00 0.56 0.00 0.00 36.38 36.03 1uwg s VAL 33 CO -0.06 0.13 -0.09 0.00 -0.31 0.00 0.00 175.10 174.77 1uwg s ALA 34 N -0.67 2.99 0.04 1.32 0.00 -0.16 -0.94 121.76 124.34 1uwg s ALA 34 Ca 0.03 -1.84 0.08 0.00 0.00 0.00 0.00 51.96 50.23 1uwg s ALA 34 Cb -0.07 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1uwg s ALA 34 CO 0.01 0.21 -0.23 -1.58 0.00 0.00 0.00 175.76 174.17 1uwg s TRP 35 N -2.46 2.06 0.12 0.00 0.52 -0.27 -0.63 118.94 118.28 1uwg s TRP 35 Ca 0.32 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 56.10 1uwg s TRP 35 Cb -0.04 -1.23 -0.04 0.00 -1.15 0.00 0.00 33.47 31.01 1uwg s TRP 35 CO 0.18 0.10 -0.14 0.71 0.02 0.00 0.00 176.95 177.81 1uwg s TYR 36 N -0.79 1.42 -0.09 -1.98 2.02 0.17 -1.02 117.35 117.08 1uwg s TYR 36 Ca 0.10 -0.54 0.02 0.00 -0.37 0.00 0.00 57.07 56.27 1uwg s TYR 36 Cb -0.09 -0.74 0.01 0.00 -0.40 0.00 0.00 41.96 40.74 1uwg s TYR 36 CO 0.02 0.15 -0.14 -1.14 -1.57 0.00 0.00 175.55 172.87 1uwg s GLN 37 N -2.62 1.95 -0.17 -0.62 0.74 0.79 -1.09 119.66 118.64 1uwg s GLN 37 Ca 0.09 -0.48 0.01 0.00 0.05 0.00 0.00 55.36 55.03 1uwg s GLN 37 Cb -0.05 -1.65 0.02 0.00 1.10 0.00 0.00 33.01 32.43 1uwg s GLN 37 CO 0.03 -0.02 -0.19 -1.14 -0.55 0.00 0.00 175.29 173.41 1uwg s GLN 38 N 0.86 2.88 0.20 1.67 0.74 0.28 -0.24 119.66 126.06 1uwg s GLN 38 Ca -0.10 -0.79 0.01 0.00 0.05 0.00 0.00 55.36 54.53 1uwg s GLN 38 Cb -0.15 -2.47 -0.04 0.00 1.10 0.00 0.00 33.01 31.45 1uwg s GLN 38 CO 0.01 -0.18 0.37 0.15 -0.55 0.00 0.00 175.29 175.09 1uwg s LYS 39 N 1.24 3.49 -0.30 1.67 1.02 -1.26 -1.60 119.74 123.99 1uwg s LYS 39 Ca 0.03 -0.45 -0.43 0.00 0.02 0.00 0.00 55.97 55.14 1uwg s LYS 39 Cb -0.13 -2.86 -0.19 0.00 -0.52 0.00 0.00 37.83 34.13 1uwg s LYS 39 CO -0.11 0.41 1.50 -2.30 -0.92 0.00 0.00 175.35 173.93 1uwg n PRO 40 N -0.81 0.32 -2.87 -1.68 -0.02 -1.26 -0.53 135.00 128.15 1uwg n PRO 40 Ca -0.06 0.12 -0.18 0.00 -2.02 0.00 0.00 63.50 61.36 1uwg n PRO 40 Cb 0.54 -1.66 0.03 0.00 -0.02 0.00 0.00 33.50 32.39 1uwg n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uwg n GLY 41 N 3.40 -0.25 3.03 -1.23 0.00 -1.26 -5.01 105.19 103.85 1uwg n GLY 41 Ca 0.27 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 1uwg n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uwg s GLN 42 N -5.46 0.42 0.68 1.61 -0.21 0.31 -5.15 119.66 111.86 1uwg s GLN 42 Ca 0.24 -0.78 -0.14 0.00 0.02 0.00 0.00 55.36 54.70 1uwg s GLN 42 Cb -0.11 0.15 0.01 0.00 1.00 0.00 0.00 33.01 34.06 1uwg s GLN 42 CO 0.30 -0.08 1.10 -1.54 -2.12 0.00 0.00 175.29 172.96 1uwg s SER 43 N -1.91 5.04 0.43 5.90 1.04 -1.26 -4.44 113.70 118.49 1uwg s SER 43 Ca -0.09 1.95 -0.25 0.00 0.48 0.00 0.00 55.95 58.04 1uwg s SER 43 Cb -0.04 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.45 1uwg s SER 43 CO -0.04 -1.67 1.30 -2.84 0.98 0.00 0.00 173.24 170.96 1uwg s PRO 44 N -4.25 3.86 0.01 4.02 0.02 -1.26 -4.57 135.00 132.83 1uwg s PRO 44 Ca 0.66 2.13 0.08 0.00 0.02 0.00 0.00 61.00 63.88 1uwg s PRO 44 Cb -0.20 -2.67 -0.03 0.00 0.02 0.00 0.00 34.50 31.63 1uwg s PRO 44 CO 0.44 -0.57 -0.24 0.15 -0.33 0.00 0.00 177.00 176.45 1uwg s LYS 45 N -2.36 2.01 -0.11 5.54 3.01 0.67 -4.92 119.74 123.59 1uwg s LYS 45 Ca 0.59 -0.99 -0.26 0.00 -1.01 0.00 0.00 55.97 54.30 1uwg s LYS 45 Cb -0.37 -2.06 -0.02 0.00 -1.01 0.00 0.00 37.83 34.36 1uwg s LYS 45 CO 0.47 0.54 0.84 0.99 0.51 0.00 0.00 175.35 178.71 1uwg s THR 46 N -0.74 4.91 -0.23 2.17 2.01 -1.26 -0.15 115.64 122.36 1uwg s THR 46 Ca 0.11 1.70 -0.11 0.00 0.31 0.00 0.00 61.69 63.70 1uwg s THR 46 Cb -0.10 -4.16 -0.18 0.00 0.01 0.00 0.00 72.50 68.07 1uwg s THR 46 CO 0.01 0.11 -0.04 0.18 -0.69 0.00 0.00 174.62 174.19 1uwg n LEU 47 N 4.61 2.28 -3.94 4.42 4.77 -0.19 -4.83 117.00 124.11 1uwg n LEU 47 Ca 0.04 0.24 -0.15 0.00 -0.03 0.00 0.00 56.01 56.10 1uwg n LEU 47 Cb 0.50 -0.94 -0.14 0.00 -2.33 0.00 0.00 43.42 40.51 1uwg n LEU 47 CO 0.49 0.63 -0.39 -0.63 -1.33 0.00 0.00 177.39 176.15 1uwg s ILE 48 N -2.48 0.33 0.24 -0.08 1.01 -1.15 -2.30 121.20 116.76 1uwg s ILE 48 Ca -0.32 -0.22 0.10 0.00 0.00 0.00 0.00 60.65 60.21 1uwg s ILE 48 Cb 0.10 -0.29 -0.05 0.00 0.01 0.00 0.00 42.46 42.23 1uwg s ILE 48 CO 0.60 0.06 -0.18 -0.72 0.00 0.00 0.00 174.94 174.69 1uwg s TYR 49 N -0.17 2.07 -1.45 3.97 -0.85 -0.35 -1.11 117.35 119.47 1uwg s TYR 49 Ca 0.01 -0.42 -0.10 0.00 -0.52 0.00 0.00 57.07 56.04 1uwg s TYR 49 Cb -0.02 -0.93 0.04 0.00 0.38 0.00 0.00 41.96 41.43 1uwg s TYR 49 CO -0.00 0.55 0.98 0.45 -1.52 0.00 0.00 175.55 176.01 1uwg n SER 50 N -0.39 -5.63 0.00 -0.18 2.88 -1.11 -1.97 113.62 107.22 1uwg n SER 50 Ca -0.07 -0.58 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 1uwg n SER 50 Cb 0.60 -4.48 0.00 0.00 -0.75 0.00 0.00 64.21 59.58 1uwg n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1uwg n ALA 51 N -4.57 0.00 0.05 -1.46 0.00 -0.12 -3.84 120.51 110.58 1uwg n ALA 51 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1uwg n ALA 51 Cb 0.56 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.04 1uwg n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1uwg n SER 52 N 0.84 1.87 -4.69 0.00 3.41 -1.25 -3.40 113.62 110.40 1uwg n SER 52 Ca 0.00 -1.60 -0.35 0.00 -0.26 0.00 0.00 58.87 56.66 1uwg n SER 52 Cb 0.00 -0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 63.81 1uwg n SER 52 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1uwg s TYR 53 N -0.69 3.27 0.13 7.33 2.02 -0.83 -4.58 117.35 124.00 1uwg s TYR 53 Ca 0.07 0.17 -0.08 0.00 -0.37 0.00 0.00 57.07 56.87 1uwg s TYR 53 Cb 0.04 -1.94 -0.06 0.00 -0.40 0.00 0.00 41.96 39.60 1uwg s TYR 53 CO 0.06 0.36 0.42 1.03 -1.57 0.00 0.00 175.55 175.85 1uwg s ARG 54 N -0.34 3.72 0.51 -0.62 0.52 -1.26 -1.21 118.95 120.26 1uwg s ARG 54 Ca 0.08 0.10 -0.05 0.00 -0.52 0.00 0.00 55.73 55.34 1uwg s ARG 54 Cb -0.12 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.45 1uwg s ARG 54 CO 0.02 0.48 0.80 0.71 0.02 0.00 0.00 175.30 177.33 1uwg s TYR 55 N -1.57 3.43 0.67 -0.53 2.02 -0.97 -4.89 117.35 115.50 1uwg s TYR 55 Ca 0.39 0.69 -0.17 0.00 -0.37 0.00 0.00 57.07 57.60 1uwg s TYR 55 Cb -0.13 -2.42 0.00 0.00 -0.40 0.00 0.00 41.96 39.01 1uwg s TYR 55 CO 0.21 -0.44 1.27 -1.12 -1.57 0.00 0.00 175.55 173.90 1uwg s SER 56 N -4.18 4.48 0.00 2.29 0.01 -1.26 -2.83 113.70 112.21 1uwg s SER 56 Ca 0.49 2.56 0.00 0.00 1.31 0.00 0.00 55.95 60.31 1uwg s SER 56 Cb -0.10 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1uwg s SER 56 CO 0.44 -2.08 0.00 0.61 0.41 0.00 0.00 173.24 172.62 1uwg n GLY 57 N 0.79 2.10 3.62 3.44 0.00 -1.26 -4.98 105.19 108.90 1uwg n GLY 57 Ca 0.15 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1uwg n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uwg s VAL 58 N -0.55 3.10 0.44 1.61 1.01 -1.13 -4.93 120.40 119.96 1uwg s VAL 58 Ca 0.00 0.11 -0.24 0.00 0.00 0.00 0.00 61.98 61.86 1uwg s VAL 58 Cb 0.00 -3.12 -0.10 0.00 0.00 0.00 0.00 36.38 33.17 1uwg s VAL 58 CO 0.00 -0.06 1.01 -2.65 0.00 0.00 0.00 175.10 173.41 1uwg n PRO 59 N 8.31 1.32 0.32 2.72 -0.02 -1.26 -4.86 135.00 141.53 1uwg n PRO 59 Ca 0.26 0.48 0.21 0.00 -2.02 0.00 0.00 63.50 62.42 1uwg n PRO 59 Cb 0.44 -2.07 1.08 0.00 -0.02 0.00 0.00 33.50 32.92 1uwg n PRO 59 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1uwg h ASP 60 N 1.43 0.00 0.00 2.55 5.19 -1.99 -1.26 116.42 122.34 1uwg h ASP 60 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1uwg h ASP 60 Cb 1.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.85 1uwg h ASP 60 CO 0.56 0.01 0.19 -0.09 -3.12 0.00 0.00 179.24 176.79 1uwg h ARG 61 N 0.00 0.00 -5.38 3.56 2.43 -1.94 -3.38 114.38 109.67 1uwg h ARG 61 Ca -0.00 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.56 1uwg h ARG 61 Cb 0.12 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.57 1uwg h ARG 61 CO 0.00 0.00 -0.45 -0.06 -1.51 0.00 0.00 179.97 177.95 1uwg s PHE 62 N -3.59 3.45 -0.03 2.20 0.08 -0.48 -0.78 117.98 118.84 1uwg s PHE 62 Ca -0.02 0.43 -0.15 0.00 0.12 0.00 0.00 56.93 57.31 1uwg s PHE 62 Cb 0.06 -2.17 0.02 0.00 -0.57 0.00 0.00 43.02 40.36 1uwg s PHE 62 CO 0.19 0.34 0.32 -0.08 -0.10 0.00 0.00 175.22 175.89 1uwg s THR 63 N 0.17 0.05 0.11 0.64 -1.32 -0.82 -4.96 115.64 109.52 1uwg s THR 63 Ca 0.11 -0.42 0.08 0.00 -1.21 0.00 0.00 61.69 60.25 1uwg s THR 63 Cb -0.12 -0.60 -0.04 0.00 -1.51 0.00 0.00 72.50 70.24 1uwg s THR 63 CO 0.00 -0.23 -0.19 -0.83 -2.21 0.00 0.00 174.62 171.16 1uwg s GLY 64 N -1.15 1.22 0.34 6.08 0.00 -1.26 -0.44 107.32 112.11 1uwg s GLY 64 Ca -0.12 -1.27 -0.03 0.00 0.00 0.00 0.00 44.72 43.30 1uwg s GLY 64 CO 0.04 -1.29 0.49 -1.14 0.00 0.00 0.00 173.10 171.19 1uwg n SER 65 N 0.90 -1.36 0.00 1.64 3.41 -0.30 -3.97 113.62 113.94 1uwg n SER 65 Ca -0.18 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.65 1uwg n SER 65 Cb 0.55 2.51 0.00 0.00 -0.26 0.00 0.00 64.21 67.01 1uwg n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uwg n GLY 66 N -0.55 0.82 3.60 5.00 0.00 -1.26 -1.71 105.19 111.09 1uwg n GLY 66 Ca -0.00 -2.07 -0.05 0.00 0.00 0.00 0.00 46.02 43.90 1uwg n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uwg s SER 67 N 0.00 -0.15 0.00 1.61 1.04 -0.39 -4.88 113.70 110.93 1uwg s SER 67 Ca 0.00 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1uwg s SER 67 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1uwg s SER 67 CO 0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1uwg n GLY 68 N 0.10 1.77 0.00 7.32 0.00 0.07 -3.38 105.19 111.07 1uwg n GLY 68 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1uwg n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uwg n THR 69 N 0.00 0.00 -4.21 2.61 -2.24 -1.26 -0.36 114.28 108.81 1uwg n THR 69 Ca 0.00 -0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 61.19 1uwg n THR 69 Cb 0.00 0.77 -0.14 0.00 -2.10 0.00 0.00 70.33 68.86 1uwg n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1uwg s ASP 70 N -1.15 4.13 0.08 3.42 1.01 -1.22 -0.86 116.67 122.09 1uwg s ASP 70 Ca 0.00 -0.38 0.01 0.00 0.71 0.00 0.00 52.55 52.89 1uwg s ASP 70 Cb 0.00 -1.68 -0.04 0.00 1.01 0.00 0.00 42.92 42.21 1uwg s ASP 70 CO 0.00 0.05 -0.06 -0.36 0.21 0.00 0.00 175.17 175.01 1uwg s PHE 71 N 1.06 0.77 -0.16 4.23 0.08 -0.77 -1.26 117.98 121.93 1uwg s PHE 71 Ca 0.00 -0.94 -0.12 0.00 0.12 0.00 0.00 56.93 55.99 1uwg s PHE 71 Cb -0.15 -0.47 0.05 0.00 -0.57 0.00 0.00 43.02 41.88 1uwg s PHE 71 CO -0.01 -0.21 0.42 0.99 -0.10 0.00 0.00 175.22 176.30 1uwg s THR 72 N -3.60 -0.01 -0.14 0.64 2.01 -0.69 -1.39 115.64 112.46 1uwg s THR 72 Ca 0.09 0.04 -0.05 0.00 0.31 0.00 0.00 61.69 62.08 1uwg s THR 72 Cb 0.05 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 1uwg s THR 72 CO -0.06 0.02 0.02 -0.22 -0.69 0.00 0.00 174.62 173.69 1uwg s LEU 73 N 0.71 3.64 -0.10 4.42 2.96 0.15 -1.15 118.68 129.31 1uwg s LEU 73 Ca -0.04 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 1uwg s LEU 73 Cb -0.05 -1.88 0.01 0.00 0.50 0.00 0.00 46.19 44.77 1uwg s LEU 73 CO -0.05 0.25 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.18 1uwg s THR 74 N -0.09 1.53 -0.29 3.68 2.01 0.42 -0.10 115.64 122.80 1uwg s THR 74 Ca 0.05 -0.68 -0.06 0.00 0.31 0.00 0.00 61.69 61.31 1uwg s THR 74 Cb -0.12 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.01 1uwg s THR 74 CO 0.02 0.45 0.07 -0.63 -0.69 0.00 0.00 174.62 173.83 1uwg s ILE 75 N 0.83 3.90 0.01 1.82 1.01 -0.66 -1.94 121.20 126.18 1uwg s ILE 75 Ca -0.10 -0.67 0.11 0.00 0.00 0.00 0.00 60.65 59.99 1uwg s ILE 75 Cb -0.16 -2.99 -0.22 0.00 0.01 0.00 0.00 42.46 39.10 1uwg s ILE 75 CO 0.01 0.11 0.87 0.03 0.00 0.00 0.00 174.94 175.97 1uwg h ARG 76 N 8.22 0.00 -2.18 2.79 3.08 -1.20 -2.55 114.38 122.54 1uwg h ARG 76 Ca -0.32 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.15 1uwg h ARG 76 Cb 1.13 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.79 1uwg h ARG 76 CO 0.60 0.66 -1.03 -3.47 -1.07 0.00 0.00 179.97 175.66 1uwg n ASP 77 N -3.15 0.04 -4.66 7.04 4.64 -1.24 -4.31 116.55 114.91 1uwg n ASP 77 Ca -0.11 -2.59 -0.47 0.00 -1.38 0.00 0.00 54.79 50.24 1uwg n ASP 77 Cb 1.01 -0.61 -0.05 0.00 -1.04 0.00 0.00 41.12 40.44 1uwg n ASP 77 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 1uwg n VAL 78 N 2.00 0.07 -4.30 5.18 0.31 -1.04 -4.67 118.33 115.88 1uwg n VAL 78 Ca 0.25 -0.01 -0.23 0.00 -0.01 0.00 0.00 64.34 64.34 1uwg n VAL 78 Cb 0.50 -1.45 -0.07 0.00 -0.91 0.00 0.00 33.84 31.91 1uwg n VAL 78 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1uwg s GLN 79 N 1.22 2.28 0.25 5.55 -1.52 -1.26 -1.00 119.66 125.18 1uwg s GLN 79 Ca 0.81 -1.42 -0.05 0.00 -1.95 0.00 0.00 55.36 52.76 1uwg s GLN 79 Cb -0.73 -2.15 0.33 0.00 -0.22 0.00 0.00 33.01 30.24 1uwg s GLN 79 CO 0.41 0.37 1.89 0.66 -0.25 0.00 0.00 175.29 178.37 1uwg h SER 80 N 1.92 1.02 0.05 5.90 4.64 -1.92 -1.07 113.55 124.10 1uwg h SER 80 Ca -0.44 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1uwg h SER 80 Cb 1.25 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1uwg h SER 80 CO 0.60 0.68 0.00 -1.84 -0.87 0.00 0.00 176.83 175.41 1uwg n GLU 81 N -4.50 0.02 -0.16 4.77 0.00 -1.09 -1.04 120.64 118.65 1uwg n GLU 81 Ca 0.13 0.33 0.10 0.00 0.00 0.00 0.00 57.16 57.73 1uwg n GLU 81 Cb 0.12 -1.50 0.28 0.00 0.00 0.00 0.00 31.44 30.34 1uwg n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1uwg n ASP 82 N -1.35 2.56 -4.68 -1.84 8.00 -0.40 -4.87 116.55 113.96 1uwg n ASP 82 Ca 0.01 -1.88 -0.48 0.00 0.71 0.00 0.00 54.79 53.15 1uwg n ASP 82 Cb 0.02 -0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 40.86 1uwg n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uwg n ALA 83 N 0.90 0.95 0.00 2.24 0.00 -0.21 -4.84 120.51 119.56 1uwg n ALA 83 Ca 0.17 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1uwg n ALA 83 Cb 0.45 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.45 1uwg n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uwg n ALA 84 N 5.81 0.00 -2.79 0.00 0.00 -1.14 -4.67 120.51 117.71 1uwg n ALA 84 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.30 1uwg n ALA 84 Cb 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.65 1uwg n ALA 84 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1uwg s GLU 85 N -2.00 3.51 0.07 0.00 2.56 -0.63 -0.87 118.70 121.34 1uwg s GLU 85 Ca 0.00 -0.34 0.08 0.00 0.00 0.00 0.00 54.97 54.70 1uwg s GLU 85 Cb 0.00 -3.04 -0.04 0.00 2.00 0.00 0.00 34.13 33.06 1uwg s GLU 85 CO 0.00 0.52 -0.17 0.71 -0.56 0.00 0.00 175.26 175.75 1uwg s TYR 86 N -0.33 2.57 0.00 5.30 2.02 -0.22 -0.56 117.35 126.14 1uwg s TYR 86 Ca 0.08 -0.25 0.01 0.00 -0.37 0.00 0.00 57.07 56.54 1uwg s TYR 86 Cb -0.12 -1.42 -0.01 0.00 -0.40 0.00 0.00 41.96 40.01 1uwg s TYR 86 CO 0.02 0.31 -0.03 -0.06 -1.57 0.00 0.00 175.55 174.21 1uwg s PHE 87 N -1.01 0.28 0.37 2.71 0.08 -0.25 -1.52 117.98 118.63 1uwg s PHE 87 Ca 0.16 -0.14 0.07 0.00 0.12 0.00 0.00 56.93 57.14 1uwg s PHE 87 Cb -0.11 -0.18 -0.01 0.00 -0.57 0.00 0.00 43.02 42.15 1uwg s PHE 87 CO 0.07 -0.03 0.44 0.00 -0.10 0.00 0.00 175.22 175.60 1uwg s GLN 89 N -4.17 0.43 -0.18 0.00 0.74 0.20 -1.44 119.66 115.24 1uwg s GLN 89 Ca 0.47 0.62 -0.08 0.00 0.05 0.00 0.00 55.36 56.41 1uwg s GLN 89 Cb -0.08 0.14 -0.04 0.00 1.10 0.00 0.00 33.01 34.13 1uwg s GLN 89 CO 0.30 -0.09 0.08 -1.14 -0.55 0.00 0.00 175.29 173.90 1uwg s GLN 90 N 0.59 3.99 -0.09 1.67 -0.44 -0.47 -0.99 119.66 123.91 1uwg s GLN 90 Ca -0.03 -0.30 0.22 0.00 -2.50 0.00 0.00 55.36 52.75 1uwg s GLN 90 Cb -0.05 -3.26 0.44 0.00 -1.64 0.00 0.00 33.01 28.50 1uwg s GLN 90 CO -0.04 0.32 1.17 2.48 0.50 0.00 0.00 175.29 179.73 1uwg n TYR 91 N 3.40 0.28 0.34 1.67 4.11 -0.24 -2.63 117.16 124.09 1uwg n TYR 91 Ca -0.17 -0.99 0.12 0.00 -0.00 0.00 0.00 57.90 56.87 1uwg n TYR 91 Cb 0.52 -0.19 0.16 0.00 -0.00 0.00 0.00 39.34 39.84 1uwg n TYR 91 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.86 175.89 1uwg h ASN 92 N 1.26 0.00 -3.13 9.48 -0.73 -1.83 -3.46 115.58 117.18 1uwg h ASN 92 Ca -0.15 -0.05 -0.01 0.00 1.87 0.00 0.00 56.30 57.96 1uwg h ASN 92 Cb 1.62 0.00 -0.22 0.00 0.27 0.00 0.00 38.32 39.99 1uwg h ASN 92 CO 0.12 0.02 -0.03 -0.22 -0.37 0.00 0.00 177.43 176.96 1uwg s LEU 93 N -5.22 -0.77 0.43 0.34 0.20 -1.26 -5.09 118.68 107.31 1uwg s LEU 93 Ca 0.05 1.40 -0.24 0.00 0.69 0.00 0.00 54.13 56.04 1uwg s LEU 93 Cb 0.09 2.21 -0.08 0.00 -0.43 0.00 0.00 46.19 47.98 1uwg s LEU 93 CO 0.70 -0.23 1.15 -0.36 -0.29 0.00 0.00 176.35 177.32 1uwg s PHE 94 N 1.48 2.99 0.36 5.38 0.08 -1.26 -3.90 117.98 123.11 1uwg s PHE 94 Ca -0.09 1.56 -0.25 0.00 0.12 0.00 0.00 56.93 58.27 1uwg s PHE 94 Cb -0.06 -3.35 -0.10 0.00 -0.57 0.00 0.00 43.02 38.95 1uwg s PHE 94 CO -0.17 -1.33 0.99 -1.25 -0.10 0.00 0.00 175.22 173.37 1uwg s PRO 95 N -2.56 4.37 0.27 0.24 0.04 -1.26 -4.94 135.00 131.17 1uwg s PRO 95 Ca 0.61 1.40 -0.31 0.00 0.04 0.00 0.00 61.00 62.74 1uwg s PRO 95 Cb -0.28 -2.64 -0.12 0.00 0.04 0.00 0.00 34.50 31.50 1uwg s PRO 95 CO 0.35 0.07 1.52 0.28 0.04 0.00 0.00 177.00 179.26 1uwg n VAL 96 N 0.18 0.98 -4.13 -0.36 0.31 -1.25 -4.69 118.33 109.37 1uwg n VAL 96 Ca 0.04 -0.24 -0.15 0.00 -0.01 0.00 0.00 64.34 63.97 1uwg n VAL 96 Cb 0.50 -1.77 -0.13 0.00 -0.91 0.00 0.00 33.84 31.53 1uwg n VAL 96 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1uwg s THR 97 N -0.01 0.58 0.06 2.52 -4.23 -1.08 -5.01 115.64 108.47 1uwg s THR 97 Ca 0.66 -0.79 0.04 0.00 -1.18 0.00 0.00 61.69 60.41 1uwg s THR 97 Cb -0.56 -0.58 -0.04 0.00 1.34 0.00 0.00 72.50 72.67 1uwg s THR 97 CO 0.49 -0.17 0.00 -0.36 -0.54 0.00 0.00 174.62 174.04 1uwg s PHE 98 N -0.90 3.02 0.82 3.99 0.08 -1.26 -1.37 117.98 122.35 1uwg s PHE 98 Ca -0.05 0.01 -0.10 0.00 0.12 0.00 0.00 56.93 56.91 1uwg s PHE 98 Cb -0.07 -1.58 0.08 0.00 -0.57 0.00 0.00 43.02 40.88 1uwg s PHE 98 CO 0.00 0.47 1.11 0.20 -0.10 0.00 0.00 175.22 176.90 1uwg s GLY 99 N -2.05 1.68 0.58 4.36 0.00 -0.52 -4.64 107.32 106.72 1uwg s GLY 99 Ca 0.24 0.33 0.32 0.00 0.00 0.00 0.00 44.72 45.61 1uwg s GLY 99 CO 0.16 0.71 2.20 -1.33 0.00 0.00 0.00 173.10 174.84 1uwg h GLY 100 N -1.35 0.00 0.00 0.20 0.00 -1.91 -3.44 103.07 96.57 1uwg h GLY 100 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1uwg h GLY 100 CO 0.49 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.64 1uwg n GLY 101 N -1.00 2.30 2.83 4.60 0.00 -1.26 -5.06 105.19 107.59 1uwg n GLY 101 Ca -0.02 -1.96 -0.20 0.00 0.00 0.00 0.00 46.02 43.84 1uwg n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uwg s THR 102 N -2.70 0.33 -0.24 2.61 2.01 -0.58 -4.56 115.64 112.52 1uwg s THR 102 Ca 0.00 0.04 -0.12 0.00 0.31 0.00 0.00 61.69 61.92 1uwg s THR 102 Cb 0.00 -0.43 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 1uwg s THR 102 CO 0.00 0.20 0.21 -0.75 -0.69 0.00 0.00 174.62 173.59 1uwg s LYS 103 N 1.25 4.08 -0.40 4.92 2.47 0.29 -1.05 119.74 131.30 1uwg s LYS 103 Ca -0.06 -0.18 -0.06 0.00 -1.56 0.00 0.00 55.97 54.11 1uwg s LYS 103 Cb -0.13 -3.55 0.09 0.00 -1.46 0.00 0.00 37.83 32.77 1uwg s LYS 103 CO -0.02 0.02 0.20 -1.17 0.16 0.00 0.00 175.35 174.54 1uwg s LEU 104 N 1.17 4.98 0.39 5.43 2.96 -0.05 -0.78 118.68 132.78 1uwg s LEU 104 Ca 0.10 -1.65 0.01 0.00 -0.22 0.00 0.00 54.13 52.36 1uwg s LEU 104 Cb -0.14 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 1uwg s LEU 104 CO 0.06 -0.50 0.59 -1.83 -1.32 0.00 0.00 176.35 173.35 1uwg s GLU 105 N 1.30 3.31 -0.19 1.98 -1.05 -0.30 -2.89 118.70 120.85 1uwg s GLU 105 Ca 0.03 -0.42 -0.06 0.00 -0.15 0.00 0.00 54.97 54.37 1uwg s GLU 105 Cb -0.22 -2.63 -0.03 0.00 -0.44 0.00 0.00 34.13 30.80 1uwg s GLU 105 CO -0.01 -0.02 0.04 0.42 0.95 0.00 0.00 175.26 176.64 1uwg s ILE 106 N -2.41 4.43 -0.08 1.83 1.09 -1.26 -2.10 121.20 122.70 1uwg s ILE 106 Ca 0.43 -0.15 -0.29 0.00 -1.10 0.00 0.00 60.65 59.54 1uwg s ILE 106 Cb -0.10 -3.00 -0.02 0.00 -1.06 0.00 0.00 42.46 38.28 1uwg s ILE 106 CO 0.37 0.43 0.99 -0.75 -0.10 0.00 0.00 174.94 175.88 1uwg s LYS 107 N 0.72 4.45 0.42 2.79 2.20 -0.40 -4.82 119.74 125.11 1uwg s LYS 107 Ca 0.02 1.38 0.04 0.00 -0.36 0.00 0.00 55.97 57.05 1uwg s LYS 107 Cb -0.14 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.64 1uwg s LYS 107 CO 0.02 -0.25 0.13 0.50 -0.36 0.00 0.00 175.35 175.38 1uwg s ARG 108 N 1.79 1.97 0.75 4.03 3.52 -1.26 -4.18 118.95 125.57 1uwg s ARG 108 Ca 0.49 -2.21 -0.13 0.00 -0.13 0.00 0.00 55.73 53.75 1uwg s ARG 108 Cb -0.19 -0.66 0.05 0.00 -1.56 0.00 0.00 34.95 32.60 1uwg s ARG 108 CO 0.20 -0.49 1.13 0.95 -0.81 0.00 0.00 175.30 176.28 1uwg s THR 109 N -3.17 2.90 0.54 4.11 -4.23 -1.26 -4.94 115.64 109.58 1uwg s THR 109 Ca 0.22 0.36 -0.21 0.00 -1.18 0.00 0.00 61.69 60.88 1uwg s THR 109 Cb 0.02 -2.79 -0.05 0.00 1.34 0.00 0.00 72.50 71.02 1uwg s THR 109 CO 0.14 -0.32 1.23 0.68 -0.54 0.00 0.00 174.62 175.81 1uwg s VAL 110 N -2.51 2.65 -0.10 2.29 -7.23 -1.26 -4.76 120.40 109.48 1uwg s VAL 110 Ca 0.66 0.46 -0.04 0.00 -1.81 0.00 0.00 61.98 61.25 1uwg s VAL 110 Cb -0.21 -3.21 0.05 0.00 0.56 0.00 0.00 36.38 33.56 1uwg s VAL 110 CO 0.50 -0.04 0.18 0.00 -0.31 0.00 0.00 175.10 175.43 1uwg s ALA 111 N -1.51 -0.25 0.56 1.32 0.00 -0.22 -4.92 121.76 116.75 1uwg s ALA 111 Ca 0.71 0.64 -0.21 0.00 0.00 0.00 0.00 51.96 53.11 1uwg s ALA 111 Cb -0.32 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1uwg s ALA 111 CO 0.37 -0.59 1.29 0.00 0.00 0.00 0.00 175.76 176.83 1uwg s ALA 112 N 2.32 2.71 0.81 0.00 0.00 -1.26 -2.05 121.76 124.30 1uwg s ALA 112 Ca 0.03 1.19 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 1uwg s ALA 112 Cb -0.12 -3.51 0.08 0.00 0.00 0.00 0.00 23.12 19.57 1uwg s ALA 112 CO -0.06 -1.26 1.12 -2.14 0.00 0.00 0.00 175.76 173.41 1uwg s PRO 113 N -3.05 1.83 -0.23 0.00 0.02 -1.26 -4.54 135.00 127.77 1uwg s PRO 113 Ca 0.74 1.36 -0.04 0.00 0.02 0.00 0.00 61.00 63.08 1uwg s PRO 113 Cb -0.36 -1.83 -0.00 0.00 0.02 0.00 0.00 34.50 32.32 1uwg s PRO 113 CO 0.41 -1.99 -0.04 -1.12 -0.33 0.00 0.00 177.00 173.93 1uwg s SER 114 N -3.00 4.32 -0.26 2.53 0.01 -0.54 -4.85 113.70 111.91 1uwg s SER 114 Ca 0.64 -0.50 -0.10 0.00 1.31 0.00 0.00 55.95 57.31 1uwg s SER 114 Cb -0.20 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 1uwg s SER 114 CO 0.55 -0.05 0.14 -0.69 0.41 0.00 0.00 173.24 173.60 1uwg s VAL 115 N 1.45 4.98 0.07 3.43 1.01 -1.25 -0.34 120.40 129.75 1uwg s VAL 115 Ca 0.05 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.15 1uwg s VAL 115 Cb -0.15 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1uwg s VAL 115 CO -0.03 0.31 -0.18 -0.36 0.00 0.00 0.00 175.10 174.84 1uwg s PHE 116 N 1.48 1.52 0.00 5.22 0.08 0.21 -4.93 117.98 121.55 1uwg s PHE 116 Ca 0.07 -0.41 0.05 0.00 0.12 0.00 0.00 56.93 56.75 1uwg s PHE 116 Cb -0.15 -0.86 -0.01 0.00 -0.57 0.00 0.00 43.02 41.43 1uwg s PHE 116 CO 0.07 0.12 -0.15 -1.50 -0.10 0.00 0.00 175.22 173.65 1uwg s ILE 117 N -1.10 1.20 -0.08 0.64 2.07 -1.26 0.77 121.20 123.45 1uwg s ILE 117 Ca 0.03 -0.74 0.01 0.00 -1.41 0.00 0.00 60.65 58.54 1uwg s ILE 117 Cb -0.09 -1.02 0.02 0.00 0.13 0.00 0.00 42.46 41.50 1uwg s ILE 117 CO 0.03 0.27 -0.07 -0.36 -1.91 0.00 0.00 174.94 172.90 1uwg s PHE 118 N -0.46 1.17 1.04 3.50 0.40 0.85 -5.00 117.98 119.48 1uwg s PHE 118 Ca 0.05 -0.47 -0.14 0.00 -0.60 0.00 0.00 56.93 55.77 1uwg s PHE 118 Cb -0.06 -0.98 0.21 0.00 0.51 0.00 0.00 43.02 42.70 1uwg s PHE 118 CO -0.00 -0.34 1.11 -2.14 0.70 0.00 0.00 175.22 174.55 1uwg s PRO 119 N 1.25 0.05 0.63 0.24 0.02 -1.26 -1.83 135.00 134.10 1uwg s PRO 119 Ca -0.05 0.31 -0.15 0.00 0.02 0.00 0.00 61.00 61.14 1uwg s PRO 119 Cb -0.14 -1.71 -0.02 0.00 0.02 0.00 0.00 34.50 32.65 1uwg s PRO 119 CO -0.02 -2.94 1.08 -2.14 -0.33 0.00 0.00 177.00 172.64 1uwg s PRO 120 N -5.12 3.08 0.59 5.54 0.02 -1.19 -4.78 135.00 133.14 1uwg s PRO 120 Ca 0.67 1.25 -0.16 0.00 0.02 0.00 0.00 61.00 62.77 1uwg s PRO 120 Cb -0.16 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 1uwg s PRO 120 CO 0.57 -1.01 1.07 -1.54 -0.33 0.00 0.00 177.00 175.76 1uwg s SER 121 N -2.80 5.70 0.39 2.53 1.04 -1.26 -4.88 113.70 114.41 1uwg s SER 121 Ca 0.64 1.90 0.28 0.00 0.48 0.00 0.00 55.95 59.25 1uwg s SER 121 Cb -0.17 -2.54 1.36 0.00 0.10 0.00 0.00 66.02 64.76 1uwg s SER 121 CO 0.40 -1.23 1.84 0.44 0.98 0.00 0.00 173.24 175.67 1uwg h ASP 122 N 0.55 0.00 0.51 7.02 5.19 -2.00 -2.72 116.42 124.96 1uwg h ASP 122 Ca -0.47 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 55.64 1uwg h ASP 122 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1uwg h ASP 122 CO 0.57 0.00 -1.40 -0.33 -3.12 0.00 0.00 179.24 174.96 1uwg h GLU 123 N 0.00 0.29 0.06 3.56 3.07 -2.00 -3.32 114.58 116.24 1uwg h GLU 123 Ca 0.00 -0.50 -0.26 0.00 -0.50 0.00 0.00 59.36 58.10 1uwg h GLU 123 Cb 0.17 0.19 0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1uwg h GLU 123 CO 0.00 1.20 -1.09 0.37 -1.40 0.00 0.00 179.01 178.09 1uwg h GLN 124 N 0.08 0.46 -1.08 2.33 4.15 -1.83 -3.33 115.11 115.88 1uwg h GLN 124 Ca -0.20 -0.57 0.30 0.00 0.77 0.00 0.00 58.65 58.95 1uwg h GLN 124 Cb 2.02 0.18 -0.06 0.00 0.21 0.00 0.00 27.48 29.83 1uwg h GLN 124 CO 0.19 1.22 0.75 -0.07 -1.93 0.00 0.00 178.83 178.99 1uwg h LEU 125 N 0.22 0.16 0.00 -2.39 3.38 -1.58 0.08 115.31 115.17 1uwg h LEU 125 Ca -0.12 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1uwg h LEU 125 Cb 1.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.51 1uwg h LEU 125 CO 0.19 0.03 -0.31 0.11 0.09 0.00 0.00 178.44 178.56 1uwg h LYS 126 N 0.14 0.00 0.00 1.13 1.57 -1.69 -3.21 116.57 114.50 1uwg h LYS 126 Ca 0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 1uwg h LYS 126 Cb 1.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.21 1uwg h LYS 126 CO -0.11 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.43 1uwg h SER 127 N 0.00 0.00 0.00 0.86 4.64 -1.16 -3.47 113.55 114.42 1uwg h SER 127 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uwg h SER 127 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1uwg h SER 127 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1uwg n GLY 128 N 0.50 1.45 3.55 -0.77 0.00 -1.21 -5.11 105.19 103.59 1uwg n GLY 128 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1uwg n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uwg s THR 129 N -1.78 2.66 -0.15 2.61 -4.23 -1.26 -1.38 115.64 112.11 1uwg s THR 129 Ca 0.00 -2.20 -0.02 0.00 -1.18 0.00 0.00 61.69 58.29 1uwg s THR 129 Cb 0.00 -2.55 0.05 0.00 1.34 0.00 0.00 72.50 71.33 1uwg s THR 129 CO 0.00 -0.33 0.01 0.00 -0.54 0.00 0.00 174.62 173.77 1uwg s ALA 130 N -2.49 0.93 -0.24 3.99 0.00 -0.60 -3.80 121.76 119.54 1uwg s ALA 130 Ca 0.32 -0.49 -0.05 0.00 0.00 0.00 0.00 51.96 51.73 1uwg s ALA 130 Cb -0.03 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 1uwg s ALA 130 CO 0.17 -0.87 0.02 -1.12 0.00 0.00 0.00 175.76 173.96 1uwg s SER 131 N 1.88 4.73 -0.26 0.00 0.01 -1.26 -1.29 113.70 117.51 1uwg s SER 131 Ca 0.02 -0.40 -0.05 0.00 1.31 0.00 0.00 55.95 56.82 1uwg s SER 131 Cb -0.15 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.26 1uwg s SER 131 CO -0.07 -0.06 0.02 -0.69 0.41 0.00 0.00 173.24 172.85 1uwg s VAL 132 N 1.52 3.63 -0.06 3.43 1.01 0.67 -3.16 120.40 127.44 1uwg s VAL 132 Ca 0.05 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 1uwg s VAL 132 Cb -0.15 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1uwg s VAL 132 CO 0.00 0.21 0.08 -0.69 0.00 0.00 0.00 175.10 174.70 1uwg s VAL 133 N 1.47 4.86 -0.09 2.92 1.01 -0.76 0.50 120.40 130.31 1uwg s VAL 133 Ca 0.03 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1uwg s VAL 133 Cb -0.16 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.08 1uwg s VAL 133 CO -0.00 0.49 -0.10 0.00 0.00 0.00 0.00 175.10 175.48 1uwg s LEU 135 N 1.17 3.07 -0.34 0.00 2.96 0.23 -0.67 118.68 125.10 1uwg s LEU 135 Ca -0.05 -0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 53.43 1uwg s LEU 135 Cb -0.14 -1.79 -0.00 0.00 0.50 0.00 0.00 46.19 44.76 1uwg s LEU 135 CO -0.02 -0.01 0.20 -0.76 -1.32 0.00 0.00 176.35 174.44 1uwg s LEU 136 N 1.41 4.44 -0.09 -0.68 1.02 0.10 -0.62 118.68 124.26 1uwg s LEU 136 Ca 0.05 -0.63 0.03 0.00 0.02 0.00 0.00 54.13 53.60 1uwg s LEU 136 Cb -0.14 -2.06 -0.01 0.00 0.02 0.00 0.00 46.19 43.99 1uwg s LEU 136 CO -0.01 -0.27 -0.18 0.21 0.02 0.00 0.00 176.35 176.13 1uwg s ASN 137 N 1.64 3.65 -0.87 2.29 2.47 0.53 0.75 114.94 125.40 1uwg s ASN 137 Ca 0.05 -0.37 -0.03 0.00 0.42 0.00 0.00 52.86 52.92 1uwg s ASN 137 Cb -0.18 -1.18 -0.04 0.00 -1.45 0.00 0.00 41.25 38.40 1uwg s ASN 137 CO 0.08 0.23 0.79 0.59 -3.72 0.00 0.00 177.10 175.07 1uwg n ASN 138 N 3.05 -6.85 -4.46 -4.21 5.03 -0.27 -1.47 115.26 106.09 1uwg n ASN 138 Ca -0.18 -0.43 -0.24 0.00 0.87 0.00 0.00 54.58 54.61 1uwg n ASN 138 Cb 0.52 -5.01 -0.10 0.00 -1.02 0.00 0.00 39.78 34.17 1uwg n ASN 138 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1uwg s PHE 139 N -3.22 2.04 -0.28 3.10 -0.71 0.06 -4.59 117.98 114.38 1uwg s PHE 139 Ca 0.26 -0.94 -0.22 0.00 -1.04 0.00 0.00 56.93 54.98 1uwg s PHE 139 Cb -0.03 -1.37 0.11 0.00 -1.21 0.00 0.00 43.02 40.51 1uwg s PHE 139 CO 0.70 0.06 0.92 -0.47 -1.34 0.00 0.00 175.22 175.10 1uwg s TYR 140 N -3.17 -0.62 0.90 3.49 6.14 -0.87 0.23 117.35 123.45 1uwg s TYR 140 Ca 0.33 1.41 -0.14 0.00 0.64 0.00 0.00 57.07 59.32 1uwg s TYR 140 Cb 0.08 0.37 0.15 0.00 0.42 0.00 0.00 41.96 42.98 1uwg s TYR 140 CO 0.15 -0.30 1.25 -1.25 0.64 0.00 0.00 175.55 176.04 1uwg s PRO 141 N 0.60 1.22 0.11 4.97 0.04 -1.26 -1.06 135.00 139.62 1uwg s PRO 141 Ca -0.01 -0.16 0.08 0.00 0.04 0.00 0.00 61.00 60.95 1uwg s PRO 141 Cb -0.05 -1.89 0.42 0.00 0.04 0.00 0.00 34.50 33.02 1uwg s PRO 141 CO -0.08 -2.06 1.24 2.89 0.04 0.00 0.00 177.00 179.03 1uwg n ARG 142 N -3.58 0.05 -2.24 4.56 1.85 -1.26 -4.75 116.66 111.29 1uwg n ARG 142 Ca 0.12 0.53 -0.42 0.00 -1.00 0.00 0.00 57.85 57.08 1uwg n ARG 142 Cb 0.60 -1.65 -0.03 0.00 -1.05 0.00 0.00 32.46 30.33 1uwg n ARG 142 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1uwg s GLU 143 N -3.18 4.30 -0.26 2.89 8.01 -1.26 -5.00 118.70 124.21 1uwg s GLU 143 Ca -0.00 1.95 -0.13 0.00 0.01 0.00 0.00 54.97 56.80 1uwg s GLU 143 Cb 0.03 -3.51 0.09 0.00 -4.31 0.00 0.00 34.13 26.42 1uwg s GLU 143 CO 0.08 -0.53 0.60 0.00 0.01 0.00 0.00 175.26 175.43 1uwg s ALA 144 N 2.13 -1.69 -0.17 5.21 0.00 -1.26 -4.74 121.76 121.23 1uwg s ALA 144 Ca 0.63 2.16 -0.07 0.00 0.00 0.00 0.00 51.96 54.68 1uwg s ALA 144 Cb -0.32 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 1uwg s ALA 144 CO 0.27 -0.50 0.05 0.00 0.00 0.00 0.00 175.76 175.58 1uwg s ALA 145 N 1.94 3.38 -0.17 0.00 0.00 -0.94 -5.00 121.76 120.97 1uwg s ALA 145 Ca -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1uwg s ALA 145 Cb -0.08 -1.87 0.03 0.00 0.00 0.00 0.00 23.12 21.21 1uwg s ALA 145 CO -0.18 0.22 -0.11 0.08 0.00 0.00 0.00 175.76 175.77 1uwg s VAL 146 N 0.27 1.48 -0.07 0.00 1.01 -1.26 -1.01 120.40 120.82 1uwg s VAL 146 Ca 0.03 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1uwg s VAL 146 Cb -0.12 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1uwg s VAL 146 CO 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 175.10 175.29 1uwg s ALA 147 N 1.49 2.80 -0.13 5.51 0.00 -0.33 -4.97 121.76 126.14 1uwg s ALA 147 Ca 0.02 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 1uwg s ALA 147 Cb -0.14 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.82 1uwg s ALA 147 CO -0.09 0.53 0.19 -1.58 0.00 0.00 0.00 175.76 174.81 1uwg s TRP 148 N -0.65 3.56 0.07 0.00 0.52 -1.26 -0.23 118.94 120.94 1uwg s TRP 148 Ca 0.10 0.55 0.08 0.00 0.02 0.00 0.00 56.10 56.85 1uwg s TRP 148 Cb -0.11 -2.09 -0.03 0.00 -1.15 0.00 0.00 33.47 30.09 1uwg s TRP 148 CO 0.01 0.56 -0.21 -1.59 0.02 0.00 0.00 176.95 175.74 1uwg s LYS 149 N -0.52 1.28 -0.11 4.98 -2.85 -0.18 -0.93 119.74 121.40 1uwg s LYS 149 Ca 0.15 -1.07 -0.02 0.00 -1.00 0.00 0.00 55.97 54.03 1uwg s LYS 149 Cb -0.13 -1.48 0.04 0.00 -2.06 0.00 0.00 37.83 34.20 1uwg s LYS 149 CO 0.04 0.36 0.02 0.08 0.10 0.00 0.00 175.35 175.95 1uwg s VAL 150 N -0.98 0.35 -1.46 1.79 1.01 -0.32 -1.67 120.40 119.13 1uwg s VAL 150 Ca 0.07 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 1uwg s VAL 150 Cb -0.09 -0.64 0.06 0.00 0.00 0.00 0.00 36.38 35.71 1uwg s VAL 150 CO 0.03 0.10 0.76 0.47 0.00 0.00 0.00 175.10 176.46 1uwg n ASP 151 N 5.14 -4.79 0.00 3.32 8.00 -0.62 -0.94 116.55 126.66 1uwg n ASP 151 Ca -0.07 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.87 1uwg n ASP 151 Cb 0.49 -3.86 0.00 0.00 -0.02 0.00 0.00 41.12 37.73 1uwg n ASP 151 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1uwg n ASN 152 N -2.60 0.00 -4.57 -2.24 3.02 -1.26 -5.00 115.26 102.61 1uwg n ASN 152 Ca -0.01 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.13 1uwg n ASN 152 Cb 0.55 -0.41 -0.08 0.00 -0.61 0.00 0.00 39.78 39.23 1uwg n ASN 152 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uwg s ALA 153 N -3.45 3.50 0.16 5.41 0.00 -0.12 -5.01 121.76 122.25 1uwg s ALA 153 Ca 0.00 -0.93 -0.31 0.00 0.00 0.00 0.00 51.96 50.72 1uwg s ALA 153 Cb 0.00 -2.99 -0.09 0.00 0.00 0.00 0.00 23.12 20.04 1uwg s ALA 153 CO 0.00 -1.12 1.45 -0.51 0.00 0.00 0.00 175.76 175.58 1uwg s LEU 154 N 2.39 4.38 0.22 0.00 1.43 -1.26 -1.18 118.68 124.66 1uwg s LEU 154 Ca 0.19 2.49 0.05 0.00 -1.03 0.00 0.00 54.13 55.83 1uwg s LEU 154 Cb -0.15 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 1uwg s LEU 154 CO 0.13 -0.70 0.30 -1.10 0.23 0.00 0.00 176.35 175.20 1uwg s GLN 155 N 0.74 3.29 -0.03 1.70 -1.52 -0.11 -4.97 119.66 118.77 1uwg s GLN 155 Ca 0.65 -0.81 -0.24 0.00 -1.95 0.00 0.00 55.36 53.01 1uwg s GLN 155 Cb -0.40 -2.81 0.05 0.00 -0.22 0.00 0.00 33.01 29.63 1uwg s GLN 155 CO 0.34 0.44 0.51 -1.54 -0.25 0.00 0.00 175.29 174.79 1uwg s SER 156 N -3.79 -0.44 0.00 5.90 1.04 -1.26 -4.59 113.70 110.55 1uwg s SER 156 Ca 0.34 0.42 0.00 0.00 0.48 0.00 0.00 55.95 57.19 1uwg s SER 156 Cb -0.09 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1uwg s SER 156 CO 0.28 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1uwg n GLY 157 N 1.05 0.95 0.66 7.32 0.00 -1.26 -4.88 105.19 109.03 1uwg n GLY 157 Ca -0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.88 1uwg n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1uwg n ASN 158 N -0.00 1.53 -3.86 1.61 0.23 -1.26 -5.06 115.26 108.44 1uwg n ASN 158 Ca 0.00 -3.13 -0.09 0.00 -0.53 0.00 0.00 54.58 50.83 1uwg n ASN 158 Cb 0.00 -0.43 -0.06 0.00 -2.08 0.00 0.00 39.78 37.21 1uwg n ASN 158 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1uwg s SER 159 N -2.67 -0.01 -0.01 0.53 1.04 -1.26 -1.43 113.70 109.88 1uwg s SER 159 Ca 0.32 -0.68 -0.03 0.00 0.48 0.00 0.00 55.95 56.04 1uwg s SER 159 Cb 0.32 0.43 -0.00 0.00 0.10 0.00 0.00 66.02 66.87 1uwg s SER 159 CO -0.06 -0.87 0.06 -1.10 0.98 0.00 0.00 173.24 172.26 1uwg s GLN 160 N -3.90 0.22 0.21 4.02 -0.21 -1.07 -4.97 119.66 113.96 1uwg s GLN 160 Ca 0.11 -0.16 0.06 0.00 0.02 0.00 0.00 55.36 55.39 1uwg s GLN 160 Cb 0.03 0.09 -0.04 0.00 1.00 0.00 0.00 33.01 34.09 1uwg s GLN 160 CO -0.05 -0.04 0.14 -1.21 -2.12 0.00 0.00 175.29 172.01 1uwg s GLU 161 N -0.60 2.83 -0.22 2.91 8.01 -1.26 -1.75 118.70 128.63 1uwg s GLU 161 Ca -0.07 -1.01 -0.17 0.00 0.01 0.00 0.00 54.97 53.74 1uwg s GLU 161 Cb -0.04 -2.55 0.06 0.00 -4.31 0.00 0.00 34.13 27.28 1uwg s GLU 161 CO 0.00 0.44 0.56 0.45 0.01 0.00 0.00 175.26 176.71 1uwg s SER 162 N -3.47 -0.64 -0.06 -0.19 0.15 -0.88 -5.01 113.70 103.61 1uwg s SER 162 Ca 0.32 1.16 0.03 0.00 0.70 0.00 0.00 55.95 58.15 1uwg s SER 162 Cb -0.09 1.12 0.00 0.00 -1.71 0.00 0.00 66.02 65.34 1uwg s SER 162 CO 0.23 -0.20 -0.16 -0.69 1.20 0.00 0.00 173.24 173.62 1uwg s VAL 163 N 0.76 1.38 0.78 4.45 1.01 -1.26 -1.79 120.40 125.74 1uwg s VAL 163 Ca -0.04 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 1uwg s VAL 163 Cb -0.05 -1.22 0.06 0.00 0.00 0.00 0.00 36.38 35.17 1uwg s VAL 163 CO -0.06 0.41 1.09 0.42 0.00 0.00 0.00 175.10 176.96 1uwg s THR 164 N 0.37 3.27 0.88 3.92 -4.23 -0.98 -5.01 115.64 113.87 1uwg s THR 164 Ca -0.11 0.41 -0.11 0.00 -1.18 0.00 0.00 61.69 60.70 1uwg s THR 164 Cb -0.14 -3.12 0.12 0.00 1.34 0.00 0.00 72.50 70.70 1uwg s THR 164 CO 0.04 -0.54 1.10 -1.61 -0.54 0.00 0.00 174.62 173.07 1uwg s GLU 165 N -5.10 1.35 0.12 3.99 0.41 -1.26 -4.63 118.70 113.59 1uwg s GLU 165 Ca 0.60 1.16 -0.31 0.00 -0.41 0.00 0.00 54.97 56.01 1uwg s GLU 165 Cb -0.15 -1.79 -0.11 0.00 -1.78 0.00 0.00 34.13 30.30 1uwg s GLU 165 CO 0.55 -2.27 1.85 0.94 -0.49 0.00 0.00 175.26 175.83 1uwg n GLN 166 N -3.95 2.81 -1.78 1.61 7.27 -1.26 -4.80 117.38 117.27 1uwg n GLN 166 Ca 0.09 1.02 -0.42 0.00 0.07 0.00 0.00 57.00 57.76 1uwg n GLN 166 Cb 0.53 -2.92 -0.02 0.00 2.41 0.00 0.00 30.24 30.24 1uwg n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1uwg s ASP 167 N 2.82 6.41 0.05 1.69 -1.08 -0.60 -4.90 116.67 121.06 1uwg s ASP 167 Ca 0.82 2.86 0.25 0.00 -0.52 0.00 0.00 52.55 55.97 1uwg s ASP 167 Cb -0.48 -2.61 1.03 0.00 -1.46 0.00 0.00 42.92 39.40 1uwg s ASP 167 CO 0.37 -0.92 1.80 -1.54 0.52 0.00 0.00 175.17 175.40 1uwg n SER 168 N 3.22 0.17 -0.09 -0.34 3.41 -1.26 -1.40 113.62 117.33 1uwg n SER 168 Ca 0.12 0.52 -0.11 0.00 -0.26 0.00 0.00 58.87 59.14 1uwg n SER 168 Cb 0.37 -0.57 -0.04 0.00 -0.26 0.00 0.00 64.21 63.71 1uwg n SER 168 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uwg n ALA 169 N -1.56 0.79 1.02 7.33 0.00 -1.26 -2.67 120.51 124.16 1uwg n ALA 169 Ca 0.06 -0.72 0.12 0.00 0.00 0.00 0.00 53.44 52.90 1uwg n ALA 169 Cb 0.31 -0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.84 1uwg n ALA 169 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1uwg n ASP 170 N -4.48 2.60 -1.53 0.00 5.68 -1.26 -4.93 116.55 112.63 1uwg n ASP 170 Ca -0.19 -1.80 -0.19 0.00 -0.50 0.00 0.00 54.79 52.11 1uwg n ASP 170 Cb 0.51 0.17 -0.08 0.00 -1.14 0.00 0.00 41.12 40.58 1uwg n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1uwg n SER 171 N 0.82 -5.33 -4.91 -1.12 7.64 -0.50 -5.00 113.62 105.22 1uwg n SER 171 Ca 0.12 0.43 -0.22 0.00 1.01 0.00 0.00 58.87 60.22 1uwg n SER 171 Cb 0.54 -4.51 0.05 0.00 -1.01 0.00 0.00 64.21 59.29 1uwg n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1uwg s THR 172 N -2.73 2.53 0.32 0.44 -4.23 -1.26 -4.70 115.64 106.00 1uwg s THR 172 Ca 0.00 -0.65 0.10 0.00 -1.18 0.00 0.00 61.69 59.96 1uwg s THR 172 Cb 0.00 -2.88 -0.06 0.00 1.34 0.00 0.00 72.50 70.90 1uwg s THR 172 CO 0.00 0.00 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.66 1uwg s TYR 173 N -2.85 2.40 0.04 3.99 2.02 0.14 -1.55 117.35 121.53 1uwg s TYR 173 Ca 0.59 -0.43 0.02 0.00 -0.37 0.00 0.00 57.07 56.88 1uwg s TYR 173 Cb -0.09 -1.28 -0.02 0.00 -0.40 0.00 0.00 41.96 40.16 1uwg s TYR 173 CO 0.40 0.61 -0.07 -1.12 -1.57 0.00 0.00 175.55 173.80 1uwg s SER 174 N -3.60 0.74 0.00 2.29 0.01 -1.26 -0.76 113.70 111.13 1uwg s SER 174 Ca 0.32 -0.53 0.02 0.00 1.31 0.00 0.00 55.95 57.07 1uwg s SER 174 Cb -0.00 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.26 1uwg s SER 174 CO 0.17 -0.21 -0.05 -0.22 0.41 0.00 0.00 173.24 173.33 1uwg s LEU 175 N -1.52 2.05 -0.08 2.44 0.20 0.23 -2.31 118.68 119.68 1uwg s LEU 175 Ca -0.11 -0.16 0.04 0.00 0.69 0.00 0.00 54.13 54.60 1uwg s LEU 175 Cb -0.10 -0.23 -0.00 0.00 -0.43 0.00 0.00 46.19 45.43 1uwg s LEU 175 CO 0.00 0.02 -0.23 -0.94 -0.29 0.00 0.00 176.35 174.91 1uwg s SER 176 N -0.34 2.91 -0.15 3.68 1.04 -0.74 0.02 113.70 120.12 1uwg s SER 176 Ca -0.00 -0.51 0.01 0.00 0.48 0.00 0.00 55.95 55.92 1uwg s SER 176 Cb -0.03 -1.15 -0.00 0.00 0.10 0.00 0.00 66.02 64.94 1uwg s SER 176 CO -0.00 0.17 -0.16 -0.55 0.98 0.00 0.00 173.24 173.68 1uwg s SER 177 N 0.21 3.60 -0.26 7.02 0.15 0.16 -2.07 113.70 122.50 1uwg s SER 177 Ca -0.13 -0.48 -0.03 0.00 0.70 0.00 0.00 55.95 56.00 1uwg s SER 177 Cb -0.16 -1.55 0.02 0.00 -1.71 0.00 0.00 66.02 62.62 1uwg s SER 177 CO 0.07 0.09 -0.02 -0.89 1.20 0.00 0.00 173.24 173.68 1uwg s THR 178 N 0.80 3.21 -0.22 6.45 2.01 -0.72 -0.73 115.64 126.44 1uwg s THR 178 Ca -0.06 -0.88 -0.20 0.00 0.31 0.00 0.00 61.69 60.87 1uwg s THR 178 Cb -0.15 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 1uwg s THR 178 CO -0.00 0.20 0.58 -0.22 -0.69 0.00 0.00 174.62 174.49 1uwg s LEU 179 N 1.39 4.12 -0.21 4.42 2.96 0.18 -2.60 118.68 128.93 1uwg s LEU 179 Ca 0.01 0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 54.62 1uwg s LEU 179 Cb -0.16 -2.80 -0.00 0.00 0.50 0.00 0.00 46.19 43.73 1uwg s LEU 179 CO -0.03 -0.27 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.77 1uwg s THR 180 N 1.99 3.08 0.37 3.68 2.01 -0.51 -0.24 115.64 126.01 1uwg s THR 180 Ca 0.26 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.68 1uwg s THR 180 Cb -0.16 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 1uwg s THR 180 CO 0.10 0.43 0.11 -0.76 -0.69 0.00 0.00 174.62 173.81 1uwg s LEU 181 N 1.43 1.99 0.50 4.42 1.02 -0.42 -4.85 118.68 122.78 1uwg s LEU 181 Ca 0.05 -1.56 -0.15 0.00 0.02 0.00 0.00 54.13 52.50 1uwg s LEU 181 Cb -0.14 -0.16 -0.07 0.00 0.02 0.00 0.00 46.19 45.84 1uwg s LEU 181 CO -0.05 -0.82 0.94 -0.94 0.02 0.00 0.00 176.35 175.50 1uwg s SER 182 N -3.53 6.56 0.21 2.29 1.04 -1.26 -1.56 113.70 117.44 1uwg s SER 182 Ca 0.29 1.45 -0.09 0.00 0.48 0.00 0.00 55.95 58.08 1uwg s SER 182 Cb 0.05 -2.46 0.25 0.00 0.10 0.00 0.00 66.02 63.96 1uwg s SER 182 CO 0.15 -0.57 1.79 0.50 0.98 0.00 0.00 173.24 176.09 1uwg h LYS 183 N 0.87 0.60 0.02 4.02 3.64 -1.49 -0.10 116.57 124.13 1uwg h LYS 183 Ca -0.47 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 58.90 1uwg h LYS 183 Cb 1.19 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 1uwg h LYS 183 CO 0.62 0.40 -0.18 0.00 -2.27 0.00 0.00 179.45 178.02 1uwg h ALA 184 N 1.36 -0.23 -0.03 5.00 0.00 -1.93 0.11 119.26 123.53 1uwg h ALA 184 Ca 0.30 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1uwg h ALA 184 Cb 0.24 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1uwg h ALA 184 CO -0.21 -0.68 -0.08 -0.44 0.00 0.00 0.00 179.25 177.85 1uwg h ASP 185 N -0.30 -0.23 -0.51 0.00 5.19 -1.81 -1.18 116.42 117.57 1uwg h ASP 185 Ca 0.05 0.04 0.10 0.00 -0.62 0.00 0.00 57.03 56.60 1uwg h ASP 185 Cb 0.36 0.11 -0.08 0.00 0.18 0.00 0.00 39.33 39.89 1uwg h ASP 185 CO -0.15 -0.11 0.00 0.22 -3.12 0.00 0.00 179.24 176.08 1uwg h TYR 186 N -0.12 -0.02 -0.02 4.55 3.20 -0.74 -0.66 116.97 123.16 1uwg h TYR 186 Ca 0.04 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.96 1uwg h TYR 186 Cb 0.18 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 1uwg h TYR 186 CO -0.16 -0.12 0.02 0.93 -1.64 0.00 0.00 178.16 177.19 1uwg h GLU 187 N 0.12 0.00 0.00 1.82 4.39 0.06 -2.56 114.58 118.40 1uwg h GLU 187 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1uwg h GLU 187 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1uwg h GLU 187 CO -0.43 0.00 0.00 1.17 -1.16 0.00 0.00 179.01 178.59 1uwg n LYS 188 N -4.35 0.23 -4.25 2.33 4.81 -0.26 -4.86 118.16 111.81 1uwg n LYS 188 Ca -0.02 0.03 -0.19 0.00 -0.87 0.00 0.00 58.31 57.26 1uwg n LYS 188 Cb 0.11 -1.50 -0.11 0.00 0.02 0.00 0.00 35.03 33.55 1uwg n LYS 188 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1uwg s HIS 189 N -2.75 1.46 -0.13 5.64 3.76 -0.97 -5.09 115.29 117.20 1uwg s HIS 189 Ca 0.21 -0.52 -0.13 0.00 -0.15 0.00 0.00 55.06 54.46 1uwg s HIS 189 Cb 0.18 -0.77 -0.04 0.00 1.11 0.00 0.00 32.58 33.06 1uwg s HIS 189 CO 0.45 0.16 -0.26 1.17 -0.85 0.00 0.00 174.74 175.41 1uwg n LYS 190 N 0.63 0.39 -2.76 1.40 4.81 -1.26 -4.68 118.16 116.69 1uwg n LYS 190 Ca -0.16 0.16 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1uwg n LYS 190 Cb 0.56 -1.19 -0.03 0.00 0.02 0.00 0.00 35.03 34.40 1uwg n LYS 190 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1uwg s VAL 191 N -2.46 4.87 -0.12 3.15 1.01 -1.26 -0.91 120.40 124.68 1uwg s VAL 191 Ca -0.22 1.95 0.01 0.00 0.00 0.00 0.00 61.98 63.72 1uwg s VAL 191 Cb 0.03 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.16 1uwg s VAL 191 CO 0.32 0.12 -0.13 -0.31 0.00 0.00 0.00 175.10 175.11 1uwg s TYR 192 N 1.31 1.87 0.02 5.22 1.51 -0.14 -1.58 117.35 125.56 1uwg s TYR 192 Ca 0.48 -0.96 0.01 0.00 -1.01 0.00 0.00 57.07 55.60 1uwg s TYR 192 Cb -0.20 -1.41 -0.02 0.00 -0.11 0.00 0.00 41.96 40.23 1uwg s TYR 192 CO 0.23 -0.55 -0.05 0.00 -1.11 0.00 0.00 175.55 174.08 1uwg s ALA 193 N 1.35 0.34 -0.11 3.71 0.00 -0.67 -0.79 121.76 125.59 1uwg s ALA 193 Ca 0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 51.96 51.40 1uwg s ALA 193 Cb -0.14 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.07 1uwg s ALA 193 CO -0.06 -0.05 -0.07 0.00 0.00 0.00 0.00 175.76 175.57 1uwg s GLU 195 N 1.72 4.05 -0.10 0.00 2.12 0.68 -2.11 118.70 125.05 1uwg s GLU 195 Ca 0.05 -0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.09 1uwg s GLU 195 Cb -0.13 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.90 1uwg s GLU 195 CO -0.08 0.22 -0.12 0.08 -0.54 0.00 0.00 175.26 174.82 1uwg s VAL 196 N 0.55 3.19 -0.11 3.70 1.01 0.32 -1.19 120.40 127.87 1uwg s VAL 196 Ca 0.06 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1uwg s VAL 196 Cb -0.12 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.96 1uwg s VAL 196 CO 0.00 0.55 -0.16 0.28 0.00 0.00 0.00 175.10 175.78 1uwg s THR 197 N -0.14 1.56 -0.11 3.92 -1.32 -0.18 -2.04 115.64 117.33 1uwg s THR 197 Ca -0.00 -0.68 -0.19 0.00 -1.21 0.00 0.00 61.69 59.61 1uwg s THR 197 Cb -0.13 -1.42 0.04 0.00 -1.51 0.00 0.00 72.50 69.48 1uwg s THR 197 CO 0.03 0.45 0.47 -2.28 -2.21 0.00 0.00 174.62 171.09 1uwg s HIS 198 N 1.01 -0.46 0.62 9.09 2.46 -1.26 -2.21 115.29 124.54 1uwg s HIS 198 Ca -0.06 0.99 0.34 0.00 0.47 0.00 0.00 55.06 56.80 1uwg s HIS 198 Cb -0.15 0.20 1.96 0.00 -0.13 0.00 0.00 32.58 34.46 1uwg s HIS 198 CO -0.02 -0.35 2.25 -0.56 -2.47 0.00 0.00 174.74 173.59 1uwg h GLN 199 N 4.57 0.00 0.00 2.88 3.07 -1.95 0.10 115.11 123.79 1uwg h GLN 199 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.46 1uwg h GLN 199 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.73 1uwg h GLN 199 CO 0.29 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.62 1uwg n GLY 200 N -1.27 -1.04 3.72 0.06 0.00 -1.26 -4.73 105.19 100.68 1uwg n GLY 200 Ca -0.02 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1uwg n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uwg s LEU 201 N -2.73 3.90 0.53 0.99 1.43 0.35 -4.56 118.68 118.60 1uwg s LEU 201 Ca 0.16 0.21 0.30 0.00 -1.03 0.00 0.00 54.13 53.77 1uwg s LEU 201 Cb 0.13 -1.95 1.46 0.00 0.03 0.00 0.00 46.19 45.87 1uwg s LEU 201 CO 0.33 0.31 2.05 0.28 0.23 0.00 0.00 176.35 179.55 1uwg h SER 202 N 5.71 0.00 -3.96 2.29 0.02 -1.84 -3.45 113.55 112.32 1uwg h SER 202 Ca -0.46 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.58 1uwg h SER 202 Cb 1.19 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.50 1uwg h SER 202 CO 0.62 0.10 0.58 -0.55 -1.14 0.00 0.00 176.83 176.44 1uwg s SER 203 N -5.96 -0.34 0.16 3.07 0.15 -1.26 -5.15 113.70 104.37 1uwg s SER 203 Ca -0.02 0.40 -0.33 0.00 0.70 0.00 0.00 55.95 56.69 1uwg s SER 203 Cb 0.12 0.31 -0.15 0.00 -1.71 0.00 0.00 66.02 64.58 1uwg s SER 203 CO 0.57 -0.30 1.25 -2.65 1.20 0.00 0.00 173.24 173.31 1uwg n PRO 204 N 0.80 1.32 -3.40 5.44 -0.02 -1.26 -4.98 135.00 132.91 1uwg n PRO 204 Ca -0.09 0.47 -0.36 0.00 -2.02 0.00 0.00 63.50 61.49 1uwg n PRO 204 Cb 0.58 -2.04 -0.06 0.00 -0.02 0.00 0.00 33.50 31.97 1uwg n PRO 204 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1uwg s VAL 205 N 0.02 4.90 -0.14 -1.45 1.01 -0.87 -4.90 120.40 118.97 1uwg s VAL 205 Ca 0.75 0.86 0.01 0.00 0.00 0.00 0.00 61.98 63.60 1uwg s VAL 205 Cb -0.84 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 31.81 1uwg s VAL 205 CO 0.50 0.38 -0.14 -0.89 0.00 0.00 0.00 175.10 174.95 1uwg s THR 206 N -1.31 1.53 -0.15 3.92 2.01 -1.26 -0.52 115.64 119.87 1uwg s THR 206 Ca 0.33 -0.62 -0.05 0.00 0.31 0.00 0.00 61.69 61.66 1uwg s THR 206 Cb -0.16 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.88 1uwg s THR 206 CO 0.18 0.45 0.02 -0.54 -0.69 0.00 0.00 174.62 174.04 1uwg s LYS 207 N 1.42 3.60 0.17 4.92 -0.14 -0.90 -4.97 119.74 123.85 1uwg s LYS 207 Ca 0.03 -0.41 -0.10 0.00 -1.36 0.00 0.00 55.97 54.13 1uwg s LYS 207 Cb -0.13 -3.00 -0.00 0.00 -1.68 0.00 0.00 37.83 33.01 1uwg s LYS 207 CO -0.09 0.39 0.33 -1.54 -0.76 0.00 0.00 175.35 173.68 1uwg s SER 208 N -0.01 -0.01 0.07 2.83 1.04 -1.26 -0.94 113.70 115.42 1uwg s SER 208 Ca 0.04 -0.83 -0.09 0.00 0.48 0.00 0.00 55.95 55.54 1uwg s SER 208 Cb -0.13 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1uwg s SER 208 CO 0.02 -0.93 0.19 0.72 0.98 0.00 0.00 173.24 174.22 1uwg s PHE 209 N -3.96 0.11 0.11 5.02 -0.12 0.03 -5.00 117.98 114.17 1uwg s PHE 209 Ca 0.17 -0.46 0.02 0.00 -0.05 0.00 0.00 56.93 56.61 1uwg s PHE 209 Cb 0.02 -0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.33 1uwg s PHE 209 CO 0.00 -0.51 0.19 -0.80 -0.05 0.00 0.00 175.22 174.06 1uwg s ASN 210 N -2.58 6.02 0.11 1.98 0.01 -1.26 -0.97 114.94 118.25 1uwg s ASN 210 Ca 0.01 0.11 -0.31 0.00 -0.71 0.00 0.00 52.86 51.97 1uwg s ASN 210 Cb 0.03 -1.75 -0.07 0.00 0.41 0.00 0.00 41.25 39.87 1uwg s ASN 210 CO -0.08 0.12 1.30 -0.60 -1.51 0.00 0.00 177.10 176.32 1uwg s ARG 211 N -2.79 4.38 -0.85 -0.60 3.52 -0.09 -3.25 118.95 119.28 1uwg s ARG 211 Ca 0.33 1.95 -0.00 0.00 -0.13 0.00 0.00 55.73 57.88 1uwg s ARG 211 Cb -0.12 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 1uwg s ARG 211 CO 0.26 -0.32 0.01 0.41 -0.81 0.00 0.00 175.30 174.85 1uwg n GLY 212 N 3.17 -0.03 0.00 8.12 0.00 -1.26 -5.03 105.19 110.16 1uwg n GLY 212 Ca 0.09 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1uwg n GLY 212 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50