#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rdx s LEU 1 N 0.00 2.19 -0.01 2.46 2.96 -1.26 -4.95 118.68 120.07 2rdx s LEU 1 Ca 0.00 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 2rdx s LEU 1 Cb 0.00 -0.25 0.00 0.00 0.50 0.00 0.00 46.19 46.44 2rdx s LEU 1 CO 0.00 -0.11 -0.02 -0.13 -1.32 0.00 0.00 176.35 174.77 2rdx s ARG 2 N -1.19 0.25 -0.05 1.98 0.52 -1.26 -3.57 118.95 115.63 2rdx s ARG 2 Ca -0.05 -0.07 -0.30 0.00 -0.52 0.00 0.00 55.73 54.79 2rdx s ARG 2 Cb -0.08 -0.28 -0.04 0.00 0.52 0.00 0.00 34.95 35.06 2rdx s ARG 2 CO 0.00 0.02 1.41 0.42 0.02 0.00 0.00 175.30 177.18 2rdx s ILE 3 N 0.17 3.84 -0.08 1.52 1.01 0.06 -2.34 121.20 125.39 2rdx s ILE 3 Ca -0.01 1.14 0.13 0.00 0.00 0.00 0.00 60.65 61.91 2rdx s ILE 3 Cb -0.04 -3.73 -0.20 0.00 0.01 0.00 0.00 42.46 38.50 2rdx s ILE 3 CO -0.00 -0.04 0.18 0.35 0.00 0.00 0.00 174.94 175.42 2rdx n THR 4 N 4.99 0.50 -3.75 2.92 -2.24 -0.47 0.49 114.28 116.72 2rdx n THR 4 Ca 0.14 -0.47 -0.13 0.00 -2.27 0.00 0.00 64.05 61.32 2rdx n THR 4 Cb 0.44 -0.26 -0.10 0.00 -2.10 0.00 0.00 70.33 68.30 2rdx n THR 4 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2rdx s ARG 5 N -2.65 0.46 -0.09 -0.78 3.52 -1.20 -2.33 118.95 115.89 2rdx s ARG 5 Ca -0.06 0.38 0.01 0.00 -0.13 0.00 0.00 55.73 55.93 2rdx s ARG 5 Cb 0.07 0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.69 2rdx s ARG 5 CO 0.58 -0.07 -0.11 0.42 -0.81 0.00 0.00 175.30 175.31 2rdx s ILE 6 N -0.08 1.14 -0.05 4.11 1.01 0.20 -0.46 121.20 127.07 2rdx s ILE 6 Ca -0.02 -0.44 0.05 0.00 0.00 0.00 0.00 60.65 60.24 2rdx s ILE 6 Cb -0.03 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 2rdx s ILE 6 CO 0.01 0.37 -0.21 -0.13 0.00 0.00 0.00 174.94 174.98 2rdx s ARG 7 N 1.03 2.19 -0.18 2.79 0.52 -0.17 -0.62 118.95 124.52 2rdx s ARG 7 Ca -0.07 -0.77 -0.06 0.00 -0.52 0.00 0.00 55.73 54.31 2rdx s ARG 7 Cb -0.15 -1.88 -0.03 0.00 0.52 0.00 0.00 34.95 33.41 2rdx s ARG 7 CO -0.01 0.32 0.02 -1.17 0.02 0.00 0.00 175.30 174.48 2rdx s LEU 8 N -0.07 3.51 0.09 2.53 2.96 -0.40 -1.01 118.68 126.29 2rdx s LEU 8 Ca -0.04 -0.06 0.09 0.00 -0.22 0.00 0.00 54.13 53.91 2rdx s LEU 8 Cb -0.13 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 2rdx s LEU 8 CO 0.03 0.14 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.66 2rdx s TYR 9 N 0.58 2.43 -0.02 5.38 2.02 0.14 -0.39 117.35 127.49 2rdx s TYR 9 Ca 0.01 -0.32 0.03 0.00 -0.37 0.00 0.00 57.07 56.42 2rdx s TYR 9 Cb -0.14 -1.35 -0.00 0.00 -0.40 0.00 0.00 41.96 40.07 2rdx s TYR 9 CO 0.02 0.30 -0.11 0.15 -1.57 0.00 0.00 175.55 174.34 2rdx s LYS 10 N -1.83 1.04 0.08 -0.62 1.02 -1.26 -0.89 119.74 117.28 2rdx s LYS 10 Ca 0.15 -0.39 -0.15 0.00 0.02 0.00 0.00 55.97 55.60 2rdx s LYS 10 Cb -0.10 -0.97 0.03 0.00 -0.52 0.00 0.00 37.83 36.26 2rdx s LYS 10 CO 0.07 0.20 0.35 -0.08 -0.92 0.00 0.00 175.35 174.97 2rdx s THR 11 N -0.07 0.08 0.02 2.17 -1.32 -1.07 -4.82 115.64 110.64 2rdx s THR 11 Ca 0.01 -0.65 -0.20 0.00 -1.21 0.00 0.00 61.69 59.64 2rdx s THR 11 Cb -0.07 -1.08 -0.06 0.00 -1.51 0.00 0.00 72.50 69.79 2rdx s THR 11 CO 0.00 -0.36 0.59 -1.81 -2.21 0.00 0.00 174.62 170.83 2rdx s ASP 12 N -2.43 7.00 -0.41 8.08 1.01 -1.26 -0.21 116.67 128.45 2rdx s ASP 12 Ca -0.01 1.19 0.03 0.00 0.71 0.00 0.00 52.55 54.47 2rdx s ASP 12 Cb 0.01 -2.36 0.11 0.00 1.01 0.00 0.00 42.92 41.69 2rdx s ASP 12 CO -0.07 0.15 0.15 -0.76 0.21 0.00 0.00 175.17 174.85 2rdx s LEU 13 N -0.45 3.98 0.38 1.23 1.43 0.65 -4.81 118.68 121.10 2rdx s LEU 13 Ca 0.30 -2.44 -0.27 0.00 -1.03 0.00 0.00 54.13 50.70 2rdx s LEU 13 Cb -0.19 -1.45 -0.09 0.00 0.03 0.00 0.00 46.19 44.50 2rdx s LEU 13 CO 0.18 -0.32 1.25 -2.84 0.23 0.00 0.00 176.35 174.84 2rdx s PRO 14 N 0.53 4.12 0.36 1.29 0.02 -1.26 -1.13 135.00 138.92 2rdx s PRO 14 Ca 0.14 2.04 -0.26 0.00 0.02 0.00 0.00 61.00 62.94 2rdx s PRO 14 Cb -0.22 -2.82 -0.09 0.00 0.02 0.00 0.00 34.50 31.39 2rdx s PRO 14 CO -0.06 -0.33 1.06 -0.47 -0.33 0.00 0.00 177.00 176.87 2rdx s TYR 15 N -1.28 3.36 0.33 6.54 5.04 0.52 -0.64 117.35 131.23 2rdx s TYR 15 Ca 0.54 1.66 0.04 0.00 -2.44 0.00 0.00 57.07 56.88 2rdx s TYR 15 Cb -0.36 -3.17 0.59 0.00 0.35 0.00 0.00 41.96 39.37 2rdx s TYR 15 CO 0.46 -0.60 1.87 -0.39 -1.34 0.00 0.00 175.55 175.55 2rdx h VAL 16 N 2.46 1.20 -0.87 3.14 -1.51 -1.16 -3.10 116.25 116.41 2rdx h VAL 16 Ca -0.48 -0.79 -0.61 0.00 -1.23 0.00 0.00 66.70 63.60 2rdx h VAL 16 Cb 1.21 0.93 -0.36 0.00 -2.13 0.00 0.00 31.29 30.95 2rdx h VAL 16 CO 0.64 0.27 -0.00 0.47 -1.23 0.00 0.00 177.57 177.72 2rdx n ASP 17 N -4.28 6.23 0.00 4.19 8.00 -1.26 -5.02 116.55 124.41 2rdx n ASP 17 Ca 0.02 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.75 2rdx n ASP 17 Cb 0.25 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 2rdx n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rdx n GLY 18 N -0.82 1.45 3.69 0.44 0.00 -1.17 -4.75 105.19 104.03 2rdx n GLY 18 Ca 0.53 0.34 -0.33 0.00 0.00 0.00 0.00 46.02 46.56 2rdx n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rdx s SER 19 N -4.00 5.17 -0.42 1.61 0.01 -1.26 -4.40 113.70 110.41 2rdx s SER 19 Ca 0.00 0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.30 2rdx s SER 19 Cb 0.00 -1.36 0.12 0.00 0.21 0.00 0.00 66.02 64.98 2rdx s SER 19 CO 0.00 0.28 0.17 -0.47 0.41 0.00 0.00 173.24 173.63 2rdx s TYR 20 N -1.09 2.80 -0.40 2.43 6.14 -1.12 -4.95 117.35 121.17 2rdx s TYR 20 Ca 0.20 -2.71 -0.29 0.00 0.64 0.00 0.00 57.07 54.91 2rdx s TYR 20 Cb -0.12 -2.43 0.02 0.00 0.42 0.00 0.00 41.96 39.85 2rdx s TYR 20 CO 0.10 -0.83 1.19 0.20 0.64 0.00 0.00 175.55 176.85 2rdx s GLY 21 N 0.51 1.35 0.06 8.97 0.00 -1.26 -1.95 107.32 115.00 2rdx s GLY 21 Ca 0.14 -0.23 0.04 0.00 0.00 0.00 0.00 44.72 44.67 2rdx s GLY 21 CO -0.06 2.46 -0.12 0.66 0.00 0.00 0.00 173.10 176.03 2rdx s TRP 22 N 4.37 1.05 0.00 1.90 1.48 -0.98 -2.32 118.94 124.44 2rdx s TRP 22 Ca 0.50 -0.45 0.00 0.00 -1.06 0.00 0.00 56.10 55.10 2rdx s TRP 22 Cb -0.11 -0.60 0.00 0.00 -1.16 0.00 0.00 33.47 31.60 2rdx s TRP 22 CO 0.26 0.01 0.00 0.41 -4.06 0.00 0.00 176.95 173.58 2rdx n GLY 23 N 1.45 0.15 0.13 3.67 0.00 -1.26 -1.92 105.19 107.41 2rdx n GLY 23 Ca -0.21 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2rdx n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rdx n ALA 24 N 4.63 2.15 0.00 4.61 0.00 -1.25 -2.96 120.51 127.69 2rdx n ALA 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2rdx n ALA 24 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2rdx n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rdx n GLY 25 N 0.18 1.07 3.93 0.00 0.00 -1.25 -4.83 105.19 104.30 2rdx n GLY 25 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2rdx n GLY 25 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2rdx s ASN 26 N -1.07 5.43 -0.18 1.61 0.01 -0.81 -4.98 114.94 114.94 2rdx s ASN 26 Ca 0.00 0.53 -0.15 0.00 -0.71 0.00 0.00 52.86 52.54 2rdx s ASN 26 Cb 0.00 -1.48 0.05 0.00 0.41 0.00 0.00 41.25 40.24 2rdx s ASN 26 CO 0.00 -1.14 0.47 0.00 -1.51 0.00 0.00 177.10 174.93 2rdx s ALA 27 N -2.97 -1.19 -0.42 0.60 0.00 -1.26 -2.32 121.76 114.20 2rdx s ALA 27 Ca 0.55 1.47 -0.12 0.00 0.00 0.00 0.00 51.96 53.86 2rdx s ALA 27 Cb -0.10 -0.87 0.06 0.00 0.00 0.00 0.00 23.12 22.21 2rdx s ALA 27 CO 0.43 -0.25 0.28 0.42 0.00 0.00 0.00 175.76 176.65 2rdx s ILE 28 N 0.65 4.62 -0.17 0.00 1.01 -0.82 -4.91 121.20 121.58 2rdx s ILE 28 Ca -0.03 -1.15 -0.13 0.00 0.00 0.00 0.00 60.65 59.33 2rdx s ILE 28 Cb -0.05 -3.74 -0.06 0.00 0.01 0.00 0.00 42.46 38.62 2rdx s ILE 28 CO -0.04 -0.45 -0.19 0.35 0.00 0.00 0.00 174.94 174.60 2rdx n THR 29 N 5.02 1.46 -4.27 2.92 -2.24 -1.26 -2.79 114.28 113.12 2rdx n THR 29 Ca -0.11 0.13 -0.30 0.00 -2.27 0.00 0.00 64.05 61.49 2rdx n THR 29 Cb 0.44 -2.30 -0.16 0.00 -2.10 0.00 0.00 70.33 66.20 2rdx n THR 29 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2rdx s VAL 30 N -2.46 1.65 -0.00 2.28 1.01 -1.26 -0.35 120.40 121.27 2rdx s VAL 30 Ca -0.22 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 2rdx s VAL 30 Cb 0.04 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 2rdx s VAL 30 CO 0.34 0.47 0.23 0.00 0.00 0.00 0.00 175.10 176.14 2rdx s ALA 31 N 1.21 3.89 -0.41 5.51 0.00 -0.29 -4.89 121.76 126.78 2rdx s ALA 31 Ca -0.01 -0.65 -0.16 0.00 0.00 0.00 0.00 51.96 51.14 2rdx s ALA 31 Cb -0.14 -1.99 0.02 0.00 0.00 0.00 0.00 23.12 21.01 2rdx s ALA 31 CO -0.07 0.69 0.37 0.50 0.00 0.00 0.00 175.76 177.25 2rdx s ARG 32 N -1.82 3.07 0.29 0.00 3.00 -1.26 -0.25 118.95 121.97 2rdx s ARG 32 Ca 0.27 -0.86 -0.18 0.00 -1.00 0.00 0.00 55.73 53.96 2rdx s ARG 32 Cb -0.13 -3.96 -0.09 0.00 0.00 0.00 0.00 34.95 30.77 2rdx s ARG 32 CO 0.17 -0.78 0.76 0.00 0.00 0.00 0.00 175.30 175.45 2rdx s ALA 33 N 1.92 3.33 -0.19 6.12 0.00 0.71 -4.32 121.76 129.32 2rdx s ALA 33 Ca 0.09 0.15 -0.00 0.00 0.00 0.00 0.00 51.96 52.19 2rdx s ALA 33 Cb -0.18 -2.84 0.05 0.00 0.00 0.00 0.00 23.12 20.14 2rdx s ALA 33 CO 0.12 0.30 -0.05 -1.12 0.00 0.00 0.00 175.76 175.01 2rdx s SER 34 N -1.99 3.19 -0.19 0.00 0.01 -0.07 -2.58 113.70 112.07 2rdx s SER 34 Ca 0.50 -0.84 -0.04 0.00 1.31 0.00 0.00 55.95 56.89 2rdx s SER 34 Cb -0.13 -1.01 -0.02 0.00 0.21 0.00 0.00 66.02 65.07 2rdx s SER 34 CO 0.19 -0.20 -0.04 -0.69 0.41 0.00 0.00 173.24 172.91 2rdx s VAL 35 N 1.55 3.62 -0.21 3.43 1.01 -0.07 -1.43 120.40 128.31 2rdx s VAL 35 Ca -0.01 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 2rdx s VAL 35 Cb -0.16 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2rdx s VAL 35 CO -0.07 0.45 0.06 -0.69 0.00 0.00 0.00 175.10 174.85 2rdx s VAL 36 N 0.93 4.53 -0.18 2.92 1.01 0.39 -0.68 120.40 129.32 2rdx s VAL 36 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 2rdx s VAL 36 Cb -0.15 -3.07 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 2rdx s VAL 36 CO 0.01 0.41 -0.11 -0.69 0.00 0.00 0.00 175.10 174.72 2rdx s VAL 37 N 0.90 2.91 -0.18 2.92 1.01 -0.18 -1.27 120.40 126.53 2rdx s VAL 37 Ca 0.03 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 2rdx s VAL 37 Cb -0.14 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 2rdx s VAL 37 CO 0.03 0.49 -0.11 -0.63 0.00 0.00 0.00 175.10 174.87 2rdx s ILE 38 N 1.06 2.92 0.17 2.22 -1.09 0.73 -0.99 121.20 126.22 2rdx s ILE 38 Ca -0.00 -0.67 0.04 0.00 -2.23 0.00 0.00 60.65 57.79 2rdx s ILE 38 Cb -0.15 -2.27 -0.04 0.00 -1.58 0.00 0.00 42.46 38.43 2rdx s ILE 38 CO -0.03 0.49 0.20 -1.81 -1.23 0.00 0.00 174.94 172.56 2rdx s ASP 39 N 1.01 5.83 0.20 3.58 1.01 0.39 -1.08 116.67 127.61 2rdx s ASP 39 Ca -0.01 -0.02 0.03 0.00 0.71 0.00 0.00 52.55 53.25 2rdx s ASP 39 Cb -0.15 -1.62 -0.05 0.00 1.01 0.00 0.00 42.92 42.12 2rdx s ASP 39 CO -0.02 0.05 -0.00 0.42 0.21 0.00 0.00 175.17 175.83 2rdx s THR 40 N -1.77 0.85 -0.56 -1.27 -4.23 -1.03 -1.36 115.64 106.26 2rdx s THR 40 Ca 0.32 -2.01 0.23 0.00 -1.18 0.00 0.00 61.69 59.06 2rdx s THR 40 Cb -0.10 -2.23 0.25 0.00 1.34 0.00 0.00 72.50 71.75 2rdx s THR 40 CO 0.25 -0.39 1.71 -0.90 -0.54 0.00 0.00 174.62 174.75 2rdx n ASP 41 N -0.33 0.63 -0.96 3.99 5.75 -0.99 -2.34 116.55 122.32 2rdx n ASP 41 Ca -0.06 0.64 0.11 0.00 -0.01 0.00 0.00 54.79 55.47 2rdx n ASP 41 Cb 0.64 -0.78 0.27 0.00 -1.03 0.00 0.00 41.12 40.21 2rdx n ASP 41 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2rdx n ALA 42 N -1.75 2.45 -0.72 2.12 0.00 -1.26 -4.95 120.51 116.40 2rdx n ALA 42 Ca 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2rdx n ALA 42 Cb 0.26 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2rdx n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rdx n GLY 43 N 1.37 0.75 3.70 0.00 0.00 -0.99 -5.03 105.19 105.00 2rdx n GLY 43 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2rdx n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rdx s LEU 44 N 0.00 4.29 -0.13 0.99 1.43 -1.26 -4.87 118.68 119.13 2rdx s LEU 44 Ca 0.00 1.42 0.01 0.00 -1.03 0.00 0.00 54.13 54.53 2rdx s LEU 44 Cb 0.00 -3.38 -0.01 0.00 0.03 0.00 0.00 46.19 42.83 2rdx s LEU 44 CO 0.00 -0.29 -0.16 -1.58 0.23 0.00 0.00 176.35 174.56 2rdx s GLN 45 N 1.38 3.28 0.14 1.70 0.74 -1.26 -2.48 119.66 123.15 2rdx s GLN 45 Ca 0.45 -0.74 0.08 0.00 0.05 0.00 0.00 55.36 55.20 2rdx s GLN 45 Cb -0.19 -2.57 -0.04 0.00 1.10 0.00 0.00 33.01 31.31 2rdx s GLN 45 CO 0.20 0.15 -0.11 0.20 -0.55 0.00 0.00 175.29 175.19 2rdx s GLY 46 N 0.48 1.75 0.05 2.59 0.00 -0.24 -4.74 107.32 107.21 2rdx s GLY 46 Ca -0.11 -1.35 -0.00 0.00 0.00 0.00 0.00 44.72 43.26 2rdx s GLY 46 CO 0.05 -1.34 -0.04 0.00 0.00 0.00 0.00 173.10 171.77 2rdx s GLY 48 N -2.59 -0.34 -0.02 0.00 0.00 -0.39 -3.13 107.32 100.85 2rdx s GLY 48 Ca 0.03 0.19 -0.01 0.00 0.00 0.00 0.00 44.72 44.92 2rdx s GLY 48 CO -0.07 -0.09 0.04 1.85 0.00 0.00 0.00 173.10 174.83 2rdx s GLU 49 N -3.33 0.02 -0.08 2.90 2.12 -1.26 -0.47 118.70 118.60 2rdx s GLU 49 Ca -0.00 0.10 0.05 0.00 0.36 0.00 0.00 54.97 55.48 2rdx s GLU 49 Cb 0.01 -0.06 -0.00 0.00 0.26 0.00 0.00 34.13 34.33 2rdx s GLU 49 CO -0.09 -0.05 -0.24 0.12 -0.54 0.00 0.00 175.26 174.46 2rdx s PHE 50 N 0.34 2.47 -0.05 5.30 5.36 -0.51 -4.50 117.98 126.39 2rdx s PHE 50 Ca -0.03 -0.88 -0.02 0.00 -0.96 0.00 0.00 56.93 55.04 2rdx s PHE 50 Cb -0.04 -1.64 0.03 0.00 -0.34 0.00 0.00 43.02 41.03 2rdx s PHE 50 CO -0.01 -0.32 0.05 0.99 -1.46 0.00 0.00 175.22 174.47 2rdx s THR 51 N 0.10 -0.02 0.41 0.12 2.01 -1.26 -0.89 115.64 116.10 2rdx s THR 51 Ca -0.11 0.37 -0.23 0.00 0.31 0.00 0.00 61.69 62.02 2rdx s THR 51 Cb -0.16 -0.23 -0.09 0.00 0.01 0.00 0.00 72.50 72.03 2rdx s THR 51 CO 0.06 0.19 1.01 -2.16 -0.69 0.00 0.00 174.62 173.04 2rdx s PRO 52 N 2.13 4.18 -1.20 4.92 0.04 -1.26 -2.95 135.00 140.86 2rdx s PRO 52 Ca 0.05 1.39 -0.08 0.00 0.04 0.00 0.00 61.00 62.40 2rdx s PRO 52 Cb -0.12 -2.45 0.22 0.00 0.04 0.00 0.00 34.50 32.19 2rdx s PRO 52 CO -0.03 -0.10 1.66 0.00 0.04 0.00 0.00 177.00 178.56 2rdx n GLY 54 N 2.50 0.92 0.07 0.00 0.00 -1.26 -4.59 105.19 102.83 2rdx n GLY 54 Ca 0.34 -1.36 0.12 0.00 0.00 0.00 0.00 46.02 45.12 2rdx n GLY 54 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rdx n GLU 55 N 2.13 0.14 -0.13 1.61 -0.58 -1.26 -2.88 120.64 119.67 2rdx n GLU 55 Ca 0.00 0.25 0.04 0.00 -0.42 0.00 0.00 57.16 57.03 2rdx n GLU 55 Cb 0.00 -1.71 0.11 0.00 -0.57 0.00 0.00 31.44 29.27 2rdx n GLU 55 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2rdx n ASN 56 N -1.96 2.67 0.18 1.62 6.94 -1.26 -4.54 115.26 118.91 2rdx n ASN 56 Ca 0.04 -1.96 -0.14 0.00 -0.02 0.00 0.00 54.58 52.49 2rdx n ASN 56 Cb 0.30 -0.17 -0.08 0.00 -2.36 0.00 0.00 39.78 37.47 2rdx n ASN 56 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 2rdx h TYR 57 N 1.59 -0.40 -4.18 -2.53 3.20 -1.78 -3.47 116.97 109.40 2rdx h TYR 57 Ca 0.00 -0.01 -0.37 0.00 3.14 0.00 0.00 58.73 61.49 2rdx h TYR 57 Cb 0.66 0.13 -0.09 0.00 1.54 0.00 0.00 36.73 38.98 2rdx h TYR 57 CO 0.17 -0.18 -0.33 0.00 -1.64 0.00 0.00 178.16 176.19 2rdx n MET 58 N -5.23 0.52 -2.17 1.82 0.00 -1.26 -5.03 117.12 105.77 2rdx n MET 58 Ca -0.10 -2.38 -0.39 0.00 0.00 0.00 0.00 57.70 54.83 2rdx n MET 58 Cb 0.22 1.56 -0.02 0.00 0.00 0.00 0.00 33.22 34.97 2rdx n MET 58 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2rdx n ILE 59 N -0.56 3.11 -3.65 3.17 5.41 -1.26 -4.73 119.36 120.85 2rdx n ILE 59 Ca -0.00 -3.11 -0.02 0.00 1.00 0.00 0.00 62.75 60.61 2rdx n ILE 59 Cb 0.43 -2.34 -0.07 0.00 -0.71 0.00 0.00 39.64 36.95 2rdx n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2rdx s ALA 60 N 6.01 -2.35 0.09 -1.39 0.00 -1.26 -4.82 121.76 118.04 2rdx s ALA 60 Ca 0.57 1.99 -0.11 0.00 0.00 0.00 0.00 51.96 54.42 2rdx s ALA 60 Cb 0.05 -1.77 0.01 0.00 0.00 0.00 0.00 23.12 21.41 2rdx s ALA 60 CO 0.07 -0.28 0.24 -3.38 0.00 0.00 0.00 175.76 172.42 2rdx s HIS 61 N 0.85 0.05 0.27 0.00 -3.43 -1.26 -4.60 115.29 107.17 2rdx s HIS 61 Ca -0.04 -0.43 0.03 0.00 -0.80 0.00 0.00 55.06 53.82 2rdx s HIS 61 Cb -0.04 0.02 0.36 0.00 -1.43 0.00 0.00 32.58 31.49 2rdx s HIS 61 CO -0.12 -0.56 1.67 0.66 -2.00 0.00 0.00 174.74 174.39 2rdx h SER 62 N 2.75 0.44 1.00 7.38 4.64 -1.91 -2.73 113.55 125.12 2rdx h SER 62 Ca -0.34 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 60.78 2rdx h SER 62 Cb 1.21 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2rdx h SER 62 CO 0.53 0.76 -0.12 -0.33 -0.87 0.00 0.00 176.83 176.81 2rdx h GLU 63 N 0.36 0.00 0.00 4.77 4.39 -1.98 -3.09 114.58 119.03 2rdx h GLU 63 Ca 0.04 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 2rdx h GLU 63 Cb 0.80 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2rdx h GLU 63 CO 0.06 0.12 -0.15 0.78 -1.16 0.00 0.00 179.01 178.66 2rdx h GLY 64 N 2.11 0.00 0.89 -3.84 0.00 -1.92 -2.75 103.07 97.57 2rdx h GLY 64 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2rdx h GLY 64 CO 0.02 0.00 0.07 -2.08 0.00 0.00 0.00 176.54 174.55 2rdx h VAL 65 N 0.00 1.21 -0.42 4.60 2.07 -1.67 -1.33 116.25 120.70 2rdx h VAL 65 Ca -0.00 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.85 2rdx h VAL 65 Cb 0.28 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2rdx h VAL 65 CO 0.02 0.23 0.24 0.44 0.02 0.00 0.00 177.57 178.51 2rdx h ASP 66 N 0.28 0.38 -0.34 0.57 3.45 -1.68 -0.26 116.42 118.82 2rdx h ASP 66 Ca 0.09 0.01 0.01 0.00 0.43 0.00 0.00 57.03 57.57 2rdx h ASP 66 Cb 0.27 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 38.95 2rdx h ASP 66 CO -0.00 0.27 0.20 0.00 -1.57 0.00 0.00 179.24 178.14 2rdx h ALA 67 N 1.20 0.42 -0.15 3.45 0.00 -1.39 -1.72 119.26 121.07 2rdx h ALA 67 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2rdx h ALA 67 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2rdx h ALA 67 CO -0.09 -0.15 0.03 0.35 0.00 0.00 0.00 179.25 179.39 2rdx h PHE 68 N 0.41 0.27 -0.84 0.00 3.57 -1.06 -3.10 116.94 116.18 2rdx h PHE 68 Ca 0.13 -0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.67 2rdx h PHE 68 Cb -0.00 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.61 2rdx h PHE 68 CO -0.07 0.42 0.54 0.00 -2.23 0.00 0.00 178.31 176.97 2rdx h ALA 69 N 0.82 1.64 -0.79 2.41 0.00 -0.86 0.18 119.26 122.65 2rdx h ALA 69 Ca 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2rdx h ALA 69 Cb 0.29 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2rdx h ALA 69 CO 0.00 0.22 0.37 0.00 0.00 0.00 0.00 179.25 179.84 2rdx h ARG 70 N 0.87 1.14 0.03 0.00 3.08 -1.27 0.14 114.38 118.37 2rdx h ARG 70 Ca 0.37 -0.17 -0.16 0.00 0.07 0.00 0.00 59.98 60.10 2rdx h ARG 70 Cb 0.31 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 30.17 2rdx h ARG 70 CO -0.14 0.88 -0.63 1.25 -1.07 0.00 0.00 179.97 180.26 2rdx h LEU 71 N 1.13 0.50 0.10 3.04 5.85 -1.21 -3.41 115.31 121.31 2rdx h LEU 71 Ca 0.27 -0.81 -0.28 0.00 0.84 0.00 0.00 57.88 57.90 2rdx h LEU 71 Cb 0.13 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2rdx h LEU 71 CO -0.03 1.25 -1.49 0.00 -0.34 0.00 0.00 178.44 177.83 2rdx h ALA 72 N 0.26 0.24 -0.99 1.25 0.00 -0.65 -3.42 119.26 115.95 2rdx h ALA 72 Ca -0.09 -1.16 0.16 0.00 0.00 0.00 0.00 54.91 53.82 2rdx h ALA 72 Cb 1.38 0.56 -0.10 0.00 0.00 0.00 0.00 17.79 19.63 2rdx h ALA 72 CO 0.12 0.89 0.60 0.00 0.00 0.00 0.00 179.25 180.87 2rdx h ALA 73 N -0.09 1.57 0.00 0.00 0.00 -1.17 0.15 119.26 119.73 2rdx h ALA 73 Ca -0.33 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2rdx h ALA 73 Cb 1.74 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 2rdx h ALA 73 CO 0.02 0.06 -0.12 -1.35 0.00 0.00 0.00 179.25 177.86 2rdx h PRO 74 N 0.84 0.00 0.00 0.00 0.11 -1.80 -2.86 132.00 128.29 2rdx h PRO 74 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 2rdx h PRO 74 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2rdx h PRO 74 CO -0.34 0.12 -0.20 1.04 -0.21 0.00 0.00 178.00 178.41 2rdx n GLN 75 N -3.67 0.23 0.01 1.05 1.13 0.51 -3.85 117.38 112.79 2rdx n GLN 75 Ca -0.02 0.15 0.11 0.00 -1.94 0.00 0.00 57.00 55.29 2rdx n GLN 75 Cb 0.24 -1.72 -0.09 0.00 0.11 0.00 0.00 30.24 28.77 2rdx n GLN 75 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2rdx n LEU 76 N -2.10 0.51 -4.77 1.08 4.77 -1.01 -4.92 117.00 110.56 2rdx n LEU 76 Ca 0.05 -0.15 -0.41 0.00 -0.03 0.00 0.00 56.01 55.47 2rdx n LEU 76 Cb 0.42 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 2rdx n LEU 76 CO 0.32 0.08 1.11 -0.76 -1.33 0.00 0.00 177.39 176.81 2rdx s LEU 77 N -3.91 4.36 0.00 2.23 1.43 -1.18 -2.78 118.68 118.83 2rdx s LEU 77 Ca 0.01 2.88 0.00 0.00 -1.03 0.00 0.00 54.13 55.98 2rdx s LEU 77 Cb 0.15 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.71 2rdx s LEU 77 CO 0.86 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 177.29 2rdx n GLY 78 N 1.08 0.73 3.92 -3.19 0.00 0.18 -4.90 105.19 103.00 2rdx n GLY 78 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 2rdx n GLY 78 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2rdx s GLN 79 N -0.21 3.28 -0.49 1.61 2.00 -1.12 -4.54 119.66 120.20 2rdx s GLN 79 Ca 0.00 -0.77 -0.25 0.00 -2.00 0.00 0.00 55.36 52.34 2rdx s GLN 79 Cb 0.00 -2.83 0.03 0.00 0.80 0.00 0.00 33.01 31.01 2rdx s GLN 79 CO 0.00 0.46 0.94 0.34 -0.50 0.00 0.00 175.29 176.53 2rdx s ASP 80 N -3.62 6.45 0.00 6.67 2.15 -1.23 -0.76 116.67 126.33 2rdx s ASP 80 Ca 0.34 -0.02 0.30 0.00 0.43 0.00 0.00 52.55 53.60 2rdx s ASP 80 Cb -0.10 -2.45 1.43 0.00 -0.30 0.00 0.00 42.92 41.50 2rdx s ASP 80 CO 0.27 -1.11 2.01 -0.81 -0.17 0.00 0.00 175.17 175.36 2rdx n PRO 81 N 7.29 0.30 0.14 4.34 -0.04 -1.26 -3.04 135.00 142.72 2rdx n PRO 81 Ca 0.05 -0.01 0.01 0.00 -0.04 0.00 0.00 63.50 63.52 2rdx n PRO 81 Cb 0.48 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.56 2rdx n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rdx h ARG 82 N 0.01 0.00 -4.93 0.54 3.08 -1.91 -3.38 114.38 107.79 2rdx h ARG 82 Ca 0.00 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.34 2rdx h ARG 82 Cb 0.35 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.29 2rdx h ARG 82 CO 0.00 0.58 2.04 1.04 -1.07 0.00 0.00 179.97 182.55 2rdx n GLN 83 N -3.41 3.26 -0.25 0.04 6.02 -1.17 -4.81 117.38 117.05 2rdx n GLN 83 Ca 0.00 -3.40 0.04 0.00 -0.01 0.00 0.00 57.00 53.63 2rdx n GLN 83 Cb 0.69 -3.24 0.28 0.00 1.02 0.00 0.00 30.24 28.98 2rdx n GLN 83 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 2rdx h VAL 84 N 4.80 1.07 0.00 5.09 -1.51 -1.86 -1.42 116.25 122.42 2rdx h VAL 84 Ca 0.42 -0.32 -0.14 0.00 -1.23 0.00 0.00 66.70 65.43 2rdx h VAL 84 Cb 0.81 0.05 -0.02 0.00 -2.13 0.00 0.00 31.29 30.00 2rdx h VAL 84 CO 1.47 0.17 -0.66 0.00 -1.23 0.00 0.00 177.57 177.32 2rdx h ALA 85 N 1.54 0.81 -0.32 5.19 0.00 -1.96 -1.14 119.26 123.39 2rdx h ALA 85 Ca 0.35 -0.60 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 2rdx h ALA 85 Cb 0.18 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2rdx h ALA 85 CO -0.12 0.83 -0.46 -0.09 0.00 0.00 0.00 179.25 179.40 2rdx h ARG 86 N 0.00 0.85 -0.41 0.00 2.43 -1.67 -1.86 114.38 113.72 2rdx h ARG 86 Ca -0.01 -0.49 -0.14 0.00 -0.81 0.00 0.00 59.98 58.53 2rdx h ARG 86 Cb 1.24 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 2rdx h ARG 86 CO 0.09 1.13 -0.30 0.52 -1.51 0.00 0.00 179.97 179.89 2rdx h MET 87 N 0.68 0.92 -0.37 0.20 2.86 -1.30 -0.42 114.93 117.50 2rdx h MET 87 Ca 0.04 -0.45 0.05 0.00 -2.06 0.00 0.00 59.70 57.27 2rdx h MET 87 Cb 1.05 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.67 2rdx h MET 87 CO 0.11 1.11 0.11 1.49 1.06 0.00 0.00 176.91 180.78 2rdx h GLU 88 N 0.75 0.25 -0.01 1.72 4.81 -1.16 0.14 114.58 121.07 2rdx h GLU 88 Ca 0.08 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.14 2rdx h GLU 88 Cb 0.89 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 2rdx h GLU 88 CO 0.08 0.16 -0.72 0.00 -0.73 0.00 0.00 179.01 177.80 2rdx h ARG 89 N 0.26 0.07 0.33 1.92 3.08 -1.25 -0.79 114.38 118.00 2rdx h ARG 89 Ca 0.17 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 2rdx h ARG 89 Cb 0.16 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2rdx h ARG 89 CO -0.19 0.76 -0.16 1.25 -1.07 0.00 0.00 179.97 180.57 2rdx h LEU 90 N 0.05 -0.38 -0.78 3.04 5.85 -0.71 0.16 115.31 122.54 2rdx h LEU 90 Ca -0.01 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.67 2rdx h LEU 90 Cb 1.27 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.33 2rdx h LEU 90 CO 0.10 -0.07 0.43 0.24 -0.34 0.00 0.00 178.44 178.80 2rdx h MET 91 N -0.70 0.72 0.00 1.25 2.86 -0.73 -0.00 114.93 118.32 2rdx h MET 91 Ca -0.05 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 2rdx h MET 91 Cb 0.48 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2rdx h MET 91 CO 0.07 0.47 -0.25 -0.44 1.06 0.00 0.00 176.91 177.83 2rdx h ASP 92 N 0.74 0.00 0.19 1.22 5.19 -1.10 -1.94 116.42 120.72 2rdx h ASP 92 Ca 0.37 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.56 2rdx h ASP 92 Cb 0.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.85 2rdx h ASP 92 CO -0.24 0.25 -0.88 -0.74 -3.12 0.00 0.00 179.24 174.51 2rdx h HIS 93 N 0.00 0.73 0.00 4.55 -0.00 0.31 -3.37 115.15 117.37 2rdx h HIS 93 Ca -0.00 -0.37 -0.00 0.00 -0.00 0.00 0.00 60.37 60.00 2rdx h HIS 93 Cb 0.56 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.88 2rdx h HIS 93 CO 0.00 1.17 -0.00 -0.07 -0.00 0.00 0.00 177.93 179.03 2rdx h LEU 94 N 0.31 -0.00 -8.07 0.26 3.38 -0.69 -3.45 115.31 107.05 2rdx h LEU 94 Ca -0.07 -0.57 -0.41 0.00 0.09 0.00 0.00 57.88 56.92 2rdx h LEU 94 Cb 1.50 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.96 2rdx h LEU 94 CO 0.16 0.57 -0.79 0.68 0.09 0.00 0.00 178.44 179.16 2rdx s VAL 95 N -3.89 0.79 0.23 1.22 -7.23 -0.76 -5.07 120.40 105.68 2rdx s VAL 95 Ca -0.16 -0.43 -0.23 0.00 -1.81 0.00 0.00 61.98 59.34 2rdx s VAL 95 Cb 0.01 -0.66 -0.09 0.00 0.56 0.00 0.00 36.38 36.20 2rdx s VAL 95 CO 0.67 0.22 0.80 -1.10 -0.31 0.00 0.00 175.10 175.39 2rdx s GLN 96 N -0.24 4.44 4.39 4.82 -0.21 -1.26 -4.23 119.66 127.38 2rdx s GLN 96 Ca 0.04 1.09 0.00 0.00 0.02 0.00 0.00 55.36 56.50 2rdx s GLN 96 Cb -0.04 -2.98 0.00 0.00 1.00 0.00 0.00 33.01 30.99 2rdx s GLN 96 CO -0.00 0.42 0.00 0.41 -2.12 0.00 0.00 175.29 173.99 2rdx n GLY 97 N 0.94 1.24 3.92 3.09 0.00 -1.26 -4.93 105.19 108.20 2rdx n GLY 97 Ca -0.02 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 2rdx n GLY 97 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rdx n HIS 98 N 5.73 -1.94 -0.17 1.61 8.25 -1.26 -4.87 115.22 122.57 2rdx n HIS 98 Ca 0.00 0.75 0.09 0.00 -0.26 0.00 0.00 57.72 58.30 2rdx n HIS 98 Cb 0.00 -3.28 0.39 0.00 1.12 0.00 0.00 29.99 28.22 2rdx n HIS 98 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2rdx h GLY 99 N -1.56 0.90 0.43 -1.41 0.00 -1.89 -1.74 103.07 97.81 2rdx h GLY 99 Ca -0.55 -0.27 0.20 0.00 0.00 0.00 0.00 47.33 46.71 2rdx h GLY 99 CO 0.69 0.17 0.56 0.10 0.00 0.00 0.00 176.54 178.07 2rdx h TYR 100 N 0.66 0.33 0.00 5.60 -0.00 -1.85 -1.40 116.97 120.31 2rdx h TYR 100 Ca 0.33 0.01 -0.13 0.00 0.00 0.00 0.00 58.73 58.93 2rdx h TYR 100 Cb 0.40 -0.10 -0.02 0.00 0.00 0.00 0.00 36.73 37.01 2rdx h TYR 100 CO -0.00 0.09 -1.07 0.00 -0.00 0.00 0.00 178.16 177.19 2rdx h ALA 101 N 1.62 0.65 0.00 0.10 0.00 -1.64 -3.24 119.26 116.75 2rdx h ALA 101 Ca 0.41 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2rdx h ALA 101 Cb 1.23 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2rdx h ALA 101 CO -0.10 0.76 -0.17 0.87 0.00 0.00 0.00 179.25 180.60 2rdx h LYS 102 N 0.00 0.00 -0.47 0.00 1.57 -1.36 -3.38 116.57 112.93 2rdx h LYS 102 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2rdx h LYS 102 Cb 1.48 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.76 2rdx h LYS 102 CO 0.05 0.06 0.31 0.00 -0.57 0.00 0.00 179.45 179.30 2rdx h ALA 103 N 1.94 0.60 -0.58 3.86 0.00 -1.30 -1.05 119.26 122.73 2rdx h ALA 103 Ca -0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2rdx h ALA 103 Cb 1.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2rdx h ALA 103 CO 0.01 0.05 0.10 -1.35 0.00 0.00 0.00 179.25 178.06 2rdx h PRO 104 N 0.64 0.93 -0.60 0.00 0.11 -1.75 -1.73 132.00 129.59 2rdx h PRO 104 Ca 0.17 -0.22 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 2rdx h PRO 104 Cb -0.07 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 30.90 2rdx h PRO 104 CO -0.04 0.86 0.16 0.74 -0.21 0.00 0.00 178.00 179.51 2rdx h PHE 105 N 0.88 1.00 -0.48 0.65 0.04 -1.75 -2.53 116.94 114.74 2rdx h PHE 105 Ca 0.18 -0.11 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 2rdx h PHE 105 Cb 0.38 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 2rdx h PHE 105 CO 0.02 0.84 0.13 0.22 -0.60 0.00 0.00 178.31 178.93 2rdx h ASP 106 N 0.87 0.66 0.12 2.17 3.58 -1.00 -2.56 116.42 120.27 2rdx h ASP 106 Ca 0.19 -0.10 -0.10 0.00 0.42 0.00 0.00 57.03 57.44 2rdx h ASP 106 Cb 0.33 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2rdx h ASP 106 CO -0.00 0.64 -0.35 0.00 -2.88 0.00 0.00 179.24 176.65 2rdx h ALA 107 N 1.45 1.12 0.00 -0.78 0.00 -1.07 -2.73 119.26 117.25 2rdx h ALA 107 Ca 0.16 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2rdx h ALA 107 Cb 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2rdx h ALA 107 CO -0.01 0.57 -0.44 0.00 0.00 0.00 0.00 179.25 179.37 2rdx h ALA 108 N 1.36 0.92 0.04 0.00 0.00 -1.13 -1.97 119.26 118.47 2rdx h ALA 108 Ca 0.03 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 2rdx h ALA 108 Cb 0.75 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.49 2rdx h ALA 108 CO 0.06 0.55 -0.62 0.74 0.00 0.00 0.00 179.25 179.98 2rdx h PHE 109 N 0.00 0.54 0.00 0.00 0.04 -1.28 -1.39 116.94 114.86 2rdx h PHE 109 Ca -0.00 -0.33 -0.02 0.00 2.80 0.00 0.00 57.97 60.42 2rdx h PHE 109 Cb 1.03 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 39.12 2rdx h PHE 109 CO 0.00 1.18 -0.08 -1.49 -0.60 0.00 0.00 178.31 177.31 2rdx h TRP 110 N -0.24 0.00 0.03 -0.55 4.06 -1.50 0.87 115.95 118.62 2rdx h TRP 110 Ca -0.09 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.86 2rdx h TRP 110 Cb 1.38 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.54 2rdx h TRP 110 CO 0.17 0.08 -0.01 0.22 -3.56 0.00 0.00 178.44 175.34 2rdx h ASP 111 N 0.00 -0.04 -0.12 -3.49 3.58 -1.28 -2.41 116.42 112.67 2rdx h ASP 111 Ca -0.00 -0.51 -0.01 0.00 0.42 0.00 0.00 57.03 56.93 2rdx h ASP 111 Cb 0.20 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 2rdx h ASP 111 CO 0.01 0.50 0.05 0.40 -2.88 0.00 0.00 179.24 177.32 2rdx h ILE 112 N -0.59 1.14 -0.92 2.25 2.04 -0.76 -1.78 117.51 118.89 2rdx h ILE 112 Ca -0.00 -0.43 0.10 0.00 1.00 0.00 0.00 64.86 65.53 2rdx h ILE 112 Cb 0.54 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 37.77 2rdx h ILE 112 CO 0.01 0.13 0.59 0.25 0.00 0.00 0.00 178.15 179.13 2rdx h LEU 113 N 0.04 0.82 -0.31 1.44 5.85 -0.97 0.40 115.31 122.59 2rdx h LEU 113 Ca 0.04 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2rdx h LEU 113 Cb 0.16 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2rdx h LEU 113 CO -0.00 0.47 0.15 1.23 -0.34 0.00 0.00 178.44 179.95 2rdx h GLY 114 N 0.90 0.47 1.40 3.75 0.00 -1.12 -1.46 103.07 107.02 2rdx h GLY 114 Ca 0.43 -0.23 -0.11 0.00 0.00 0.00 0.00 47.33 47.42 2rdx h GLY 114 CO -0.20 0.22 -0.24 1.46 0.00 0.00 0.00 176.54 177.79 2rdx h GLN 115 N 0.36 0.69 0.00 4.80 4.20 -0.69 -0.29 115.11 124.18 2rdx h GLN 115 Ca 0.11 -0.28 -0.09 0.00 0.06 0.00 0.00 58.65 58.45 2rdx h GLN 115 Cb 0.12 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2rdx h GLN 115 CO -0.01 0.86 -0.45 0.00 -0.67 0.00 0.00 178.83 178.56 2rdx h ALA 116 N 1.14 0.97 0.00 3.87 0.00 -0.80 -2.85 119.26 121.59 2rdx h ALA 116 Ca 0.08 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2rdx h ALA 116 Cb 0.72 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2rdx h ALA 116 CO 0.06 0.56 -0.83 0.25 0.00 0.00 0.00 179.25 179.29 2rdx n THR 117 N -3.59 0.10 -1.37 0.00 -2.24 -0.56 -4.97 114.28 101.65 2rdx n THR 117 Ca -0.00 -0.13 -0.06 0.00 -2.27 0.00 0.00 64.05 61.58 2rdx n THR 117 Cb 0.55 0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 69.08 2rdx n THR 117 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rdx n GLY 118 N 1.43 0.73 3.27 3.38 0.00 -0.52 -5.04 105.19 108.45 2rdx n GLY 118 Ca 0.03 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 2rdx n GLY 118 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rdx s GLN 119 N -2.89 1.26 0.94 1.61 -1.52 -0.23 -4.58 119.66 114.24 2rdx s GLN 119 Ca 0.00 -1.07 -0.11 0.00 -1.95 0.00 0.00 55.36 52.23 2rdx s GLN 119 Cb 0.00 -1.47 0.16 0.00 -0.22 0.00 0.00 33.01 31.48 2rdx s GLN 119 CO 0.00 0.36 1.10 -1.25 -0.25 0.00 0.00 175.29 175.25 2rdx s PRO 120 N -1.58 0.87 0.28 2.91 0.04 -1.23 -1.48 135.00 134.82 2rdx s PRO 120 Ca 0.07 1.20 0.05 0.00 0.04 0.00 0.00 61.00 62.36 2rdx s PRO 120 Cb -0.09 -1.74 0.42 0.00 0.04 0.00 0.00 34.50 33.13 2rdx s PRO 120 CO 0.03 -2.61 1.69 0.28 0.04 0.00 0.00 177.00 176.42 2rdx h VAL 121 N -1.84 1.31 -0.57 -0.36 2.07 -1.78 -2.69 116.25 112.39 2rdx h VAL 121 Ca -0.48 -1.52 0.03 0.00 0.82 0.00 0.00 66.70 65.55 2rdx h VAL 121 Cb 1.28 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 2rdx h VAL 121 CO 0.48 0.46 0.38 4.11 0.02 0.00 0.00 177.57 183.01 2rdx h TRP 122 N 0.24 0.66 -0.16 1.57 5.08 -1.90 -0.85 115.95 120.59 2rdx h TRP 122 Ca 0.02 0.02 -0.10 0.00 1.08 0.00 0.00 58.89 59.91 2rdx h TRP 122 Cb 0.82 -0.22 -0.01 0.00 -3.00 0.00 0.00 29.16 26.75 2rdx h TRP 122 CO 0.02 0.39 -0.33 0.52 -1.28 0.00 0.00 178.44 177.76 2rdx h MET 123 N 0.69 0.31 0.00 0.12 2.86 -1.75 -1.50 114.93 115.66 2rdx h MET 123 Ca 0.23 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2rdx h MET 123 Cb 0.05 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2rdx h MET 123 CO -0.06 0.61 -0.16 -0.07 1.06 0.00 0.00 176.91 178.29 2rdx h LEU 124 N 0.27 0.00 -0.53 1.22 3.38 -1.27 -3.11 115.31 115.27 2rdx h LEU 124 Ca 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2rdx h LEU 124 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2rdx h LEU 124 CO 0.05 0.01 -0.16 0.18 0.09 0.00 0.00 178.44 178.61 2rdx n LEU 125 N -2.56 0.99 0.00 1.67 4.32 -0.42 -4.95 117.00 116.05 2rdx n LEU 125 Ca 0.04 -0.25 0.00 0.00 -0.02 0.00 0.00 56.01 55.78 2rdx n LEU 125 Cb 0.47 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 2rdx n LEU 125 CO 0.33 0.18 0.00 0.61 -1.22 0.00 0.00 177.39 177.29 2rdx n GLY 126 N 1.28 3.67 0.00 -0.72 0.00 -1.07 -4.97 105.19 103.38 2rdx n GLY 126 Ca 0.14 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2rdx n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rdx n GLY 127 N 0.00 1.27 3.48 -0.02 0.00 -0.59 -4.94 105.19 104.39 2rdx n GLY 127 Ca 0.00 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 2rdx n GLY 127 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rdx s LYS 128 N -1.56 3.51 0.00 1.61 2.20 -1.26 -3.89 119.74 120.34 2rdx s LYS 128 Ca 0.00 -1.44 0.25 0.00 -0.36 0.00 0.00 55.97 54.41 2rdx s LYS 128 Cb 0.00 -4.87 0.45 0.00 -1.51 0.00 0.00 37.83 31.89 2rdx s LYS 128 CO 0.00 -1.88 1.37 1.28 -0.36 0.00 0.00 175.35 175.76 2rdx n LEU 129 N 7.27 0.99 -3.69 5.43 4.32 0.77 -4.74 117.00 127.35 2rdx n LEU 129 Ca 0.21 -0.27 -0.12 0.00 -0.02 0.00 0.00 56.01 55.80 2rdx n LEU 129 Cb 0.49 -0.13 -0.12 0.00 -1.62 0.00 0.00 43.42 42.03 2rdx n LEU 129 CO 0.56 0.20 -0.09 0.00 -1.22 0.00 0.00 177.39 176.84 2rdx s ASP 131 N 1.96 6.72 0.00 0.00 2.15 -1.26 -4.59 116.67 121.65 2rdx s ASP 131 Ca -0.04 -3.00 0.00 0.00 0.43 0.00 0.00 52.55 49.94 2rdx s ASP 131 Cb -0.11 -2.16 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 2rdx s ASP 131 CO -0.09 -0.46 0.00 0.61 -0.17 0.00 0.00 175.17 175.06 2rdx n GLY 132 N 3.50 -1.75 3.69 2.66 0.00 -1.26 -5.00 105.19 107.04 2rdx n GLY 132 Ca 0.16 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 2rdx n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rdx s ALA 133 N 0.00 3.61 0.23 4.61 0.00 -0.54 -4.62 121.76 125.04 2rdx s ALA 133 Ca 0.00 0.99 -0.32 0.00 0.00 0.00 0.00 51.96 52.63 2rdx s ALA 133 Cb 0.00 -3.61 -0.14 0.00 0.00 0.00 0.00 23.12 19.37 2rdx s ALA 133 CO 0.00 -0.92 1.40 -0.35 0.00 0.00 0.00 175.76 175.89 2rdx n PRO 134 N 5.22 1.96 -4.08 0.00 -0.04 -1.26 -0.99 135.00 135.81 2rdx n PRO 134 Ca 0.14 0.70 -0.26 0.00 -0.04 0.00 0.00 63.50 64.04 2rdx n PRO 134 Cb 0.43 -2.35 -0.05 0.00 -0.04 0.00 0.00 33.50 31.48 2rdx n PRO 134 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2rdx s MET 135 N -0.30 2.92 0.28 0.54 -1.94 -0.82 -1.72 119.30 118.27 2rdx s MET 135 Ca 0.70 -0.89 0.10 0.00 -1.71 0.00 0.00 55.69 53.89 2rdx s MET 135 Cb -0.67 -2.64 -0.05 0.00 2.01 0.00 0.00 34.83 33.47 2rdx s MET 135 CO 0.49 0.47 -0.15 1.52 -0.01 0.00 0.00 175.02 177.34 2rdx s TYR 136 N -1.80 2.19 -0.06 -0.03 -0.85 -0.80 -3.59 117.35 112.41 2rdx s TYR 136 Ca 0.31 -0.45 0.05 0.00 -0.52 0.00 0.00 57.07 56.46 2rdx s TYR 136 Cb -0.10 -1.07 -0.01 0.00 0.38 0.00 0.00 41.96 41.17 2rdx s TYR 136 CO 0.24 0.58 -0.22 0.50 -1.52 0.00 0.00 175.55 175.13 2rdx s ARG 137 N -3.58 2.31 0.05 -3.49 3.00 -0.92 -4.68 118.95 111.64 2rdx s ARG 137 Ca 0.29 -0.78 -0.30 0.00 -1.00 0.00 0.00 55.73 53.94 2rdx s ARG 137 Cb -0.02 -1.93 -0.05 0.00 0.00 0.00 0.00 34.95 32.96 2rdx s ARG 137 CO 0.14 0.29 1.07 0.54 0.00 0.00 0.00 175.30 177.34 2rdx s VAL 138 N 0.01 4.44 -0.46 7.11 0.11 -1.26 -1.43 120.40 128.92 2rdx s VAL 138 Ca -0.06 1.81 -0.11 0.00 -2.93 0.00 0.00 61.98 60.69 2rdx s VAL 138 Cb -0.14 -4.16 0.10 0.00 -1.53 0.00 0.00 36.38 30.65 2rdx s VAL 138 CO 0.04 0.17 0.34 0.00 -3.33 0.00 0.00 175.10 172.31 2rdx s ALA 139 N 0.81 3.41 1.27 1.54 0.00 0.03 -4.92 121.76 123.89 2rdx s ALA 139 Ca 0.54 -2.31 -0.17 0.00 0.00 0.00 0.00 51.96 50.01 2rdx s ALA 139 Cb -0.25 -2.84 0.32 0.00 0.00 0.00 0.00 23.12 20.34 2rdx s ALA 139 CO 0.29 -1.78 1.00 -2.14 0.00 0.00 0.00 175.76 173.13 2rdx s PRO 140 N 1.46 -1.73 -0.77 0.00 0.02 -1.26 -1.84 135.00 130.88 2rdx s PRO 140 Ca 0.04 0.44 -0.25 0.00 0.02 0.00 0.00 61.00 61.24 2rdx s PRO 140 Cb -0.25 -1.49 -0.02 0.00 0.02 0.00 0.00 34.50 32.76 2rdx s PRO 140 CO 0.02 -4.16 1.81 -0.65 -0.33 0.00 0.00 177.00 173.69 2rdx s GLN 141 N -4.82 2.73 0.17 5.54 -0.21 -0.98 -4.69 119.66 117.40 2rdx s GLN 141 Ca 0.69 0.03 0.01 0.00 0.02 0.00 0.00 55.36 56.11 2rdx s GLN 141 Cb -0.19 -4.72 -0.00 0.00 1.00 0.00 0.00 33.01 29.10 2rdx s GLN 141 CO 0.61 -2.89 0.04 0.54 -2.12 0.00 0.00 175.29 171.47 2rdx n ARG 142 N 9.05 1.00 -1.13 2.91 1.74 -1.26 -4.61 116.66 124.36 2rdx n ARG 142 Ca 0.28 -1.38 -0.32 0.00 -0.77 0.00 0.00 57.85 55.66 2rdx n ARG 142 Cb 0.50 0.64 0.11 0.00 -1.02 0.00 0.00 32.46 32.69 2rdx n ARG 142 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2rdx s SER 143 N -2.01 3.94 0.41 0.55 0.15 -1.26 -4.90 113.70 110.58 2rdx s SER 143 Ca 0.06 2.06 0.22 0.00 0.70 0.00 0.00 55.95 58.99 2rdx s SER 143 Cb 0.00 -2.55 0.42 0.00 -1.71 0.00 0.00 66.02 62.18 2rdx s SER 143 CO 0.04 -2.42 1.62 1.05 1.20 0.00 0.00 173.24 174.73 2rdx h GLU 144 N -1.15 0.00 0.00 5.44 -0.00 -2.00 -2.45 114.58 114.43 2rdx h GLU 144 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.92 2rdx h GLU 144 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.01 2rdx h GLU 144 CO 0.48 0.14 -0.09 0.00 -0.00 0.00 0.00 179.01 179.54 2rdx h ALA 145 N 1.86 0.96 -0.04 1.06 0.00 -2.02 -3.27 119.26 117.81 2rdx h ALA 145 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rdx h ALA 145 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2rdx h ALA 145 CO 0.02 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 178.42 2rdx n GLU 146 N -2.97 0.81 0.03 0.00 0.28 -1.14 -4.07 120.64 113.58 2rdx n GLU 146 Ca 0.04 -1.27 0.05 0.00 -0.16 0.00 0.00 57.16 55.81 2rdx n GLU 146 Cb 0.52 -1.23 -0.08 0.00 1.43 0.00 0.00 31.44 32.08 2rdx n GLU 146 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2rdx n THR 147 N 0.66 0.79 -0.25 3.84 -2.24 -0.93 -2.95 114.28 113.20 2rdx n THR 147 Ca 0.07 -0.63 -0.07 0.00 -2.27 0.00 0.00 64.05 61.16 2rdx n THR 147 Cb 0.31 -0.44 0.04 0.00 -2.10 0.00 0.00 70.33 68.14 2rdx n THR 147 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2rdx h ARG 148 N 0.00 1.06 0.00 -0.78 2.43 -1.72 0.83 114.38 116.20 2rdx h ARG 148 Ca -0.12 -0.23 -0.11 0.00 -0.81 0.00 0.00 59.98 58.72 2rdx h ARG 148 Cb 1.35 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 2rdx h ARG 148 CO 0.02 0.92 -0.50 0.00 -1.51 0.00 0.00 179.97 178.89 2rdx h ALA 149 N 1.10 0.88 0.00 2.80 0.00 -1.71 -2.33 119.26 119.99 2rdx h ALA 149 Ca 0.22 -0.46 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 2rdx h ALA 149 Cb 0.29 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2rdx h ALA 149 CO -0.01 0.63 -0.80 1.49 0.00 0.00 0.00 179.25 180.56 2rdx h GLU 150 N 0.00 0.00 0.00 0.00 4.81 -1.37 -1.59 114.58 116.42 2rdx h GLU 150 Ca -0.01 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2rdx h GLU 150 Cb 1.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2rdx h GLU 150 CO 0.07 0.80 -0.27 -0.07 -0.73 0.00 0.00 179.01 178.81 2rdx h LEU 151 N 0.00 0.00 -0.06 1.64 4.07 -0.79 -0.36 115.31 119.81 2rdx h LEU 151 Ca -0.01 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.70 2rdx h LEU 151 Cb 1.50 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.25 2rdx h LEU 151 CO 0.10 0.20 -1.05 0.00 -1.08 0.00 0.00 178.44 176.62 2rdx h ALA 152 N 1.80 0.24 -0.36 1.53 0.00 -1.36 -2.72 119.26 118.38 2rdx h ALA 152 Ca -0.01 -0.74 -0.16 0.00 0.00 0.00 0.00 54.91 54.00 2rdx h ALA 152 Cb 1.16 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2rdx h ALA 152 CO 0.03 0.80 -0.40 -0.09 0.00 0.00 0.00 179.25 179.59 2rdx h ARG 153 N 0.23 0.89 -0.00 0.00 2.43 -1.17 -2.31 114.38 114.45 2rdx h ARG 153 Ca -0.11 -0.47 -0.21 0.00 -0.81 0.00 0.00 59.98 58.37 2rdx h ARG 153 Cb 1.71 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.27 2rdx h ARG 153 CO 0.19 1.12 -0.91 0.45 -1.51 0.00 0.00 179.97 179.31 2rdx h HIS 154 N 0.72 0.48 -0.49 2.20 3.86 -1.18 -2.94 115.15 117.81 2rdx h HIS 154 Ca 0.06 -0.26 -0.04 0.00 -1.16 0.00 0.00 60.37 58.96 2rdx h HIS 154 Cb 0.99 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.38 2rdx h HIS 154 CO 0.06 1.08 0.13 -0.09 0.86 0.00 0.00 177.93 179.96 2rdx h ARG 155 N 0.18 0.75 -0.85 2.45 2.43 -1.51 -2.71 114.38 115.12 2rdx h ARG 155 Ca -0.06 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 2rdx h ARG 155 Cb 1.54 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.93 2rdx h ARG 155 CO 0.15 0.67 0.51 0.00 -1.51 0.00 0.00 179.97 179.79 2rdx h ALA 156 N 1.41 1.30 0.00 2.80 0.00 -1.34 -1.58 119.26 121.85 2rdx h ALA 156 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2rdx h ALA 156 Cb 0.26 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2rdx h ALA 156 CO -0.00 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.85 2rdx n ALA 157 N -2.41 2.34 0.00 0.00 0.00 -1.05 -4.87 120.51 114.52 2rdx n ALA 157 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2rdx n ALA 157 Cb 0.07 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2rdx n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rdx n GLY 158 N 0.58 0.69 3.75 0.00 0.00 -0.59 -4.22 105.19 105.40 2rdx n GLY 158 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2rdx n GLY 158 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rdx s TYR 159 N -2.00 3.54 -0.14 1.61 1.51 -1.05 -3.91 117.35 116.91 2rdx s TYR 159 Ca 0.00 1.64 0.01 0.00 -1.01 0.00 0.00 57.07 57.71 2rdx s TYR 159 Cb 0.00 -3.32 0.02 0.00 -0.11 0.00 0.00 41.96 38.56 2rdx s TYR 159 CO 0.00 -0.69 0.77 0.54 -1.11 0.00 0.00 175.55 175.07 2rdx n ARG 160 N 1.54 0.99 -4.47 -0.62 5.12 -1.26 -4.29 116.66 113.67 2rdx n ARG 160 Ca 0.00 -1.05 -0.20 0.00 -1.93 0.00 0.00 57.85 54.67 2rdx n ARG 160 Cb 0.45 -1.03 -0.15 0.00 -1.16 0.00 0.00 32.46 30.57 2rdx n ARG 160 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2rdx s GLN 161 N -0.53 0.95 -0.05 5.56 -0.21 -1.24 -2.55 119.66 121.59 2rdx s GLN 161 Ca 0.02 -0.38 0.01 0.00 0.02 0.00 0.00 55.36 55.04 2rdx s GLN 161 Cb 0.01 -0.90 0.02 0.00 1.00 0.00 0.00 33.01 33.14 2rdx s GLN 161 CO 0.02 0.20 -0.07 -0.06 -2.12 0.00 0.00 175.29 173.26 2rdx s PHE 162 N -0.12 0.95 -0.42 0.91 0.40 -0.52 -2.15 117.98 117.04 2rdx s PHE 162 Ca 0.02 -0.31 -0.16 0.00 -0.60 0.00 0.00 56.93 55.88 2rdx s PHE 162 Cb -0.06 -0.79 0.02 0.00 0.51 0.00 0.00 43.02 42.71 2rdx s PHE 162 CO -0.00 -0.22 0.38 -1.14 0.70 0.00 0.00 175.22 174.94 2rdx s GLN 163 N 0.87 3.04 -0.31 0.44 0.74 -0.51 -1.29 119.66 122.64 2rdx s GLN 163 Ca -0.12 -0.88 -0.27 0.00 0.05 0.00 0.00 55.36 54.15 2rdx s GLN 163 Cb -0.15 -3.98 0.01 0.00 1.10 0.00 0.00 33.01 30.00 2rdx s GLN 163 CO 0.01 -0.82 0.98 0.42 -0.55 0.00 0.00 175.29 175.33 2rdx s ILE 164 N 1.95 4.62 -0.21 -2.34 -1.09 0.16 -0.79 121.20 123.50 2rdx s ILE 164 Ca 0.09 1.59 -0.29 0.00 -2.23 0.00 0.00 60.65 59.81 2rdx s ILE 164 Cb -0.18 -4.32 -0.01 0.00 -1.58 0.00 0.00 42.46 36.37 2rdx s ILE 164 CO 0.12 -0.37 1.32 -0.54 -1.23 0.00 0.00 174.94 174.24 2rdx s LYS 165 N 3.37 4.09 0.02 2.79 3.01 -0.77 -1.30 119.74 130.97 2rdx s LYS 165 Ca 0.41 1.54 0.00 0.00 -1.01 0.00 0.00 55.97 56.92 2rdx s LYS 165 Cb -0.13 -3.83 -0.00 0.00 -1.01 0.00 0.00 37.83 32.86 2rdx s LYS 165 CO 0.13 -0.89 0.01 1.33 0.51 0.00 0.00 175.35 176.44 2rdx n VAL 166 N 5.73 0.00 0.00 3.17 0.24 -0.19 -4.45 118.33 122.82 2rdx n VAL 166 Ca 0.15 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 2rdx n VAL 166 Cb 0.45 0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 2rdx n VAL 166 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2rdx n GLY 167 N 2.37 0.61 0.09 7.63 0.00 -1.26 -4.07 105.19 110.56 2rdx n GLY 167 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2rdx n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rdx h ALA 168 N 0.00 0.67 -0.89 4.61 0.00 -1.83 -3.33 119.26 118.50 2rdx h ALA 168 Ca 0.00 -0.94 0.09 0.00 0.00 0.00 0.00 54.91 54.05 2rdx h ALA 168 Cb 0.00 0.30 -0.21 0.00 0.00 0.00 0.00 17.79 17.88 2rdx h ALA 168 CO 0.00 1.03 -0.26 0.34 0.00 0.00 0.00 179.25 180.36 2rdx s ASP 169 N -5.86 -1.34 0.37 0.00 2.15 -1.26 -4.88 116.67 105.85 2rdx s ASP 169 Ca -0.03 0.48 0.16 0.00 0.43 0.00 0.00 52.55 53.59 2rdx s ASP 169 Cb 0.09 1.98 1.06 0.00 -0.30 0.00 0.00 42.92 45.75 2rdx s ASP 169 CO 0.81 -0.25 1.74 4.11 -0.17 0.00 0.00 175.17 181.41 2rdx h TRP 170 N 7.94 0.77 0.24 -5.34 5.08 -1.93 -0.25 115.95 122.46 2rdx h TRP 170 Ca -0.12 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.87 2rdx h TRP 170 Cb 1.17 -0.22 0.00 0.00 -3.00 0.00 0.00 29.16 27.12 2rdx h TRP 170 CO 0.15 0.03 -0.11 1.96 -1.28 0.00 0.00 178.44 179.18 2rdx h GLN 171 N 0.42 -0.31 0.00 0.12 4.20 -1.97 -2.19 115.11 115.39 2rdx h GLN 171 Ca 0.63 0.02 -0.09 0.00 0.06 0.00 0.00 58.65 59.27 2rdx h GLN 171 Cb 1.52 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.35 2rdx h GLN 171 CO -0.38 -0.06 -0.44 0.66 -0.67 0.00 0.00 178.83 177.95 2rdx h SER 172 N -0.53 0.00 0.26 1.46 4.64 -1.91 -2.99 113.55 114.48 2rdx h SER 172 Ca -0.03 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.25 2rdx h SER 172 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2rdx h SER 172 CO 0.05 0.44 -0.18 0.44 -0.87 0.00 0.00 176.83 176.71 2rdx h ASP 173 N 0.00 0.00 -0.18 4.97 3.45 -0.97 0.12 116.42 123.81 2rdx h ASP 173 Ca -0.00 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.39 2rdx h ASP 173 Cb 1.15 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.92 2rdx h ASP 173 CO 0.06 0.18 -0.13 0.40 -1.57 0.00 0.00 179.24 178.18 2rdx h ILE 174 N 0.00 1.32 -0.26 0.35 2.04 -1.24 -1.73 117.51 118.00 2rdx h ILE 174 Ca -0.00 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 2rdx h ILE 174 Cb 0.36 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 2rdx h ILE 174 CO 0.02 0.37 0.10 0.44 0.00 0.00 0.00 178.15 179.08 2rdx h ASP 175 N 0.07 0.36 -0.85 1.72 3.32 -1.51 -1.44 116.42 118.09 2rdx h ASP 175 Ca 0.03 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 56.91 2rdx h ASP 175 Cb 0.64 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 2rdx h ASP 175 CO 0.03 0.44 0.56 -0.09 -1.72 0.00 0.00 179.24 178.46 2rdx h ARG 176 N 0.26 1.13 0.04 3.56 2.43 -0.80 -0.76 114.38 120.25 2rdx h ARG 176 Ca 0.09 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2rdx h ARG 176 Cb 0.20 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2rdx h ARG 176 CO -0.01 0.76 -0.02 0.82 -1.51 0.00 0.00 179.97 180.01 2rdx h ILE 177 N 1.16 1.23 0.00 1.20 2.04 -1.20 -2.87 117.51 119.08 2rdx h ILE 177 Ca 0.31 -0.93 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 2rdx h ILE 177 Cb -0.12 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2rdx h ILE 177 CO -0.07 0.23 -0.08 0.03 0.00 0.00 0.00 178.15 178.26 2rdx h ARG 178 N -0.47 0.00 0.05 2.37 3.08 -1.01 -2.23 114.38 116.16 2rdx h ARG 178 Ca -0.01 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.79 2rdx h ARG 178 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2rdx h ARG 178 CO 0.01 0.08 -1.27 0.00 -1.07 0.00 0.00 179.97 177.73 2rdx h ALA 179 N 1.92 0.36 0.03 0.04 0.00 -1.22 -3.38 119.26 117.01 2rdx h ALA 179 Ca -0.00 -1.04 -0.24 0.00 0.00 0.00 0.00 54.91 53.62 2rdx h ALA 179 Cb 0.17 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2rdx h ALA 179 CO 0.01 1.24 -1.03 0.00 0.00 0.00 0.00 179.25 179.47 2rdx h LEU 181 N 0.23 0.89 0.00 0.00 3.38 -1.64 -2.35 115.31 115.82 2rdx h LEU 181 Ca -0.10 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2rdx h LEU 181 Cb 1.68 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.20 2rdx h LEU 181 CO 0.18 0.97 0.00 -2.65 0.09 0.00 0.00 178.44 177.03 2rdx n PRO 182 N -4.31 0.83 -0.06 1.13 -0.02 -1.26 -2.60 135.00 128.71 2rdx n PRO 182 Ca 0.01 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.61 2rdx n PRO 182 Cb 0.31 -1.42 0.30 0.00 -0.02 0.00 0.00 33.50 32.67 2rdx n PRO 182 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2rdx n LEU 183 N -0.92 2.43 -4.63 2.45 4.32 -0.88 -4.90 117.00 114.86 2rdx n LEU 183 Ca 0.17 -0.92 -0.31 0.00 -0.02 0.00 0.00 56.01 54.93 2rdx n LEU 183 Cb 0.08 -0.08 -0.09 0.00 -1.62 0.00 0.00 43.42 41.70 2rdx n LEU 183 CO 0.13 0.46 -0.38 -1.48 -1.22 0.00 0.00 177.39 174.90 2rdx s LEU 184 N -1.78 3.25 0.52 2.23 0.05 -1.07 -5.03 118.68 116.86 2rdx s LEU 184 Ca 0.34 -0.22 -0.02 0.00 0.05 0.00 0.00 54.13 54.27 2rdx s LEU 184 Cb 0.20 -1.97 0.00 0.00 -2.05 0.00 0.00 46.19 42.38 2rdx s LEU 184 CO 0.30 0.21 0.78 -1.61 -0.55 0.00 0.00 176.35 175.49 2rdx s GLU 185 N -1.98 2.96 0.21 1.48 2.02 -1.26 -5.00 118.70 117.12 2rdx s GLU 185 Ca 0.22 -0.29 -0.31 0.00 0.02 0.00 0.00 54.97 54.61 2rdx s GLU 185 Cb -0.11 -2.42 -0.15 0.00 0.10 0.00 0.00 34.13 31.54 2rdx s GLU 185 CO 0.13 -0.50 1.05 -2.30 0.02 0.00 0.00 175.26 173.67 2rdx n PRO 186 N -2.33 1.10 0.00 0.39 -0.02 -1.26 -2.28 135.00 130.59 2rdx n PRO 186 Ca 0.03 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2rdx n PRO 186 Cb 0.58 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 2rdx n PRO 186 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rdx n GLY 187 N 1.75 3.22 3.79 -1.23 0.00 -1.26 -5.04 105.19 106.43 2rdx n GLY 187 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2rdx n GLY 187 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rdx s GLU 188 N -0.51 4.49 0.05 1.61 2.02 -0.97 -4.96 118.70 120.43 2rdx s GLU 188 Ca 0.00 1.10 0.05 0.00 0.02 0.00 0.00 54.97 56.15 2rdx s GLU 188 Cb 0.00 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 2rdx s GLU 188 CO 0.00 0.49 -0.10 0.15 0.02 0.00 0.00 175.26 175.82 2rdx s LYS 189 N -1.49 2.30 -0.05 1.61 1.02 -1.06 -4.88 119.74 117.19 2rdx s LYS 189 Ca 0.40 -0.89 0.05 0.00 0.02 0.00 0.00 55.97 55.55 2rdx s LYS 189 Cb -0.21 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.73 2rdx s LYS 189 CO 0.25 0.55 -0.21 0.00 -0.92 0.00 0.00 175.35 175.01 2rdx s ALA 190 N -1.07 1.86 -0.06 5.17 0.00 -1.26 -1.43 121.76 124.97 2rdx s ALA 190 Ca 0.18 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.30 2rdx s ALA 190 Cb -0.11 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 2rdx s ALA 190 CO 0.10 0.36 -0.16 0.00 0.00 0.00 0.00 175.76 176.06 2rdx s MET 191 N -0.11 2.58 -0.44 0.00 0.23 -0.41 -0.49 119.30 120.66 2rdx s MET 191 Ca -0.03 -0.72 -0.14 0.00 -1.03 0.00 0.00 55.69 53.77 2rdx s MET 191 Cb -0.12 -2.37 0.06 0.00 -1.53 0.00 0.00 34.83 30.87 2rdx s MET 191 CO 0.03 0.56 0.33 0.00 -2.03 0.00 0.00 175.02 173.91 2rdx s ALA 192 N -0.57 3.46 -0.38 3.16 0.00 0.28 0.38 121.76 128.09 2rdx s ALA 192 Ca 0.08 -2.03 -0.14 0.00 0.00 0.00 0.00 51.96 49.87 2rdx s ALA 192 Cb -0.11 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.10 2rdx s ALA 192 CO 0.01 -1.64 0.27 0.34 0.00 0.00 0.00 175.76 174.74 2rdx s ASP 193 N 2.26 6.08 0.04 0.00 -1.08 -0.42 -0.92 116.67 122.64 2rdx s ASP 193 Ca 0.04 -0.68 0.26 0.00 -0.52 0.00 0.00 52.55 51.65 2rdx s ASP 193 Cb -0.23 -2.15 0.68 0.00 -1.46 0.00 0.00 42.92 39.77 2rdx s ASP 193 CO 0.06 -0.35 1.55 0.00 0.52 0.00 0.00 175.17 176.95 2rdx n ALA 194 N 5.13 3.01 -3.96 3.66 0.00 -1.08 -1.03 120.51 126.25 2rdx n ALA 194 Ca -0.12 -0.24 -0.37 0.00 0.00 0.00 0.00 53.44 52.72 2rdx n ALA 194 Cb 0.48 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.69 2rdx n ALA 194 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2rdx n ASN 195 N -1.69 -3.34 0.00 0.00 3.02 -1.23 -1.14 115.26 110.89 2rdx n ASN 195 Ca 0.05 -1.16 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 2rdx n ASN 195 Cb 0.37 -2.44 0.00 0.00 -0.61 0.00 0.00 39.78 37.09 2rdx n ASN 195 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rdx n GLN 196 N -4.62 -1.21 0.03 3.52 6.02 -1.04 -4.46 117.38 115.61 2rdx n GLN 196 Ca -0.16 0.30 -0.08 0.00 -0.01 0.00 0.00 57.00 57.05 2rdx n GLN 196 Cb 0.61 -4.32 0.08 0.00 1.02 0.00 0.00 30.24 27.64 2rdx n GLN 196 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2rdx h GLY 197 N 0.00 0.51 -2.91 1.08 0.00 -1.21 -3.26 103.07 97.28 2rdx h GLY 197 Ca 0.00 -0.59 -0.48 0.00 0.00 0.00 0.00 47.33 46.27 2rdx h GLY 197 CO 0.00 0.53 0.26 -0.98 0.00 0.00 0.00 176.54 176.35 2rdx s TRP 198 N -3.98 3.55 0.33 5.60 0.51 -1.03 -4.76 118.94 119.17 2rdx s TRP 198 Ca -0.06 1.58 -0.25 0.00 -2.12 0.00 0.00 56.10 55.25 2rdx s TRP 198 Cb 0.12 -2.79 -0.10 0.00 -0.81 0.00 0.00 33.47 29.89 2rdx s TRP 198 CO 0.83 0.15 0.93 0.50 -0.51 0.00 0.00 176.95 178.84 2rdx s ARG 199 N -2.43 4.50 0.27 4.98 3.52 -1.26 -4.46 118.95 124.07 2rdx s ARG 199 Ca 0.52 1.26 -0.00 0.00 -0.13 0.00 0.00 55.73 57.37 2rdx s ARG 199 Cb -0.15 -2.72 0.59 0.00 -1.56 0.00 0.00 34.95 31.12 2rdx s ARG 199 CO 0.20 0.24 1.71 -0.39 -0.81 0.00 0.00 175.30 176.25 2rdx h VAL 200 N 2.51 0.56 -0.54 7.11 -1.51 -1.95 -0.42 116.25 122.02 2rdx h VAL 200 Ca -0.47 -0.14 -0.06 0.00 -1.23 0.00 0.00 66.70 64.80 2rdx h VAL 200 Cb 1.19 0.10 -0.02 0.00 -2.13 0.00 0.00 31.29 30.43 2rdx h VAL 200 CO 0.64 0.08 0.10 -2.24 -1.23 0.00 0.00 177.57 174.92 2rdx h ASP 201 N 0.42 0.79 0.41 4.19 2.03 -1.99 -1.68 116.42 120.60 2rdx h ASP 201 Ca 0.49 -0.16 -0.19 0.00 -0.73 0.00 0.00 57.03 56.44 2rdx h ASP 201 Cb 0.84 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 39.12 2rdx h ASP 201 CO -0.47 0.80 -0.81 0.78 -1.03 0.00 0.00 179.24 178.51 2rdx h ASN 202 N 0.81 0.38 -0.53 4.15 2.35 -1.64 -2.54 115.58 118.55 2rdx h ASN 202 Ca 0.17 -0.28 -0.11 0.00 -0.55 0.00 0.00 56.30 55.53 2rdx h ASN 202 Cb 0.35 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 2rdx h ASN 202 CO 0.00 1.04 -0.10 0.00 -1.65 0.00 0.00 177.43 176.73 2rdx h ALA 203 N 0.94 0.73 -0.14 -0.83 0.00 -0.91 -1.33 119.26 117.74 2rdx h ALA 203 Ca -0.04 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2rdx h ALA 203 Cb 1.41 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2rdx h ALA 203 CO 0.13 0.64 0.09 0.82 0.00 0.00 0.00 179.25 180.93 2rdx h ILE 204 N 0.88 1.06 -0.65 0.00 1.08 -1.32 -0.98 117.51 117.58 2rdx h ILE 204 Ca 0.14 -0.13 0.06 0.00 -0.39 0.00 0.00 64.86 64.54 2rdx h ILE 204 Cb 0.67 0.90 -0.06 0.00 -3.07 0.00 0.00 36.82 35.25 2rdx h ILE 204 CO 0.05 0.05 0.35 0.03 -0.69 0.00 0.00 178.15 177.94 2rdx h ARG 205 N 0.17 0.62 -0.59 2.37 3.08 -1.32 0.13 114.38 118.84 2rdx h ARG 205 Ca 0.05 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2rdx h ARG 205 Cb 0.01 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 2rdx h ARG 205 CO -0.01 0.41 0.36 1.25 -1.07 0.00 0.00 179.97 180.91 2rdx h LEU 206 N 0.64 0.71 -0.60 3.04 6.46 -1.08 -1.87 115.31 122.61 2rdx h LEU 206 Ca 0.30 -0.06 -0.08 0.00 -0.12 0.00 0.00 57.88 57.92 2rdx h LEU 206 Cb 0.22 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 2rdx h LEU 206 CO -0.20 0.55 0.05 0.00 -0.62 0.00 0.00 178.44 178.22 2rdx h ALA 207 N 1.18 0.80 -0.29 1.25 0.00 -0.18 -1.95 119.26 120.07 2rdx h ALA 207 Ca 0.21 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2rdx h ALA 207 Cb -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2rdx h ALA 207 CO -0.04 0.60 -0.26 0.00 0.00 0.00 0.00 179.25 179.55 2rdx h ARG 208 N 0.92 0.58 0.00 0.00 3.08 -0.97 -2.27 114.38 115.73 2rdx h ARG 208 Ca 0.18 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 2rdx h ARG 208 Cb 0.49 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 2rdx h ARG 208 CO 0.02 0.79 -0.15 0.00 -1.07 0.00 0.00 179.97 179.56 2rdx h ALA 209 N 1.21 0.96 -0.14 0.04 0.00 -1.06 -3.21 119.26 117.06 2rdx h ALA 209 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2rdx h ALA 209 Cb 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2rdx h ALA 209 CO 0.06 0.19 0.00 0.25 0.00 0.00 0.00 179.25 179.75 2rdx n THR 210 N -3.23 1.98 0.31 0.00 -2.24 -0.76 -4.78 114.28 105.57 2rdx n THR 210 Ca 0.01 -1.96 0.18 0.00 -2.27 0.00 0.00 64.05 60.01 2rdx n THR 210 Cb 0.46 -0.17 1.00 0.00 -2.10 0.00 0.00 70.33 69.51 2rdx n THR 210 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 2rdx h ARG 211 N 0.93 0.00 -0.71 -0.78 0.11 -1.41 -2.27 114.38 110.24 2rdx h ARG 211 Ca 0.00 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.96 2rdx h ARG 211 Cb 1.17 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.17 2rdx h ARG 211 CO 0.10 0.02 0.15 -0.25 0.10 0.00 0.00 179.97 180.09 2rdx n ASP 212 N -3.48 4.94 -4.44 0.08 8.00 -1.26 -4.93 116.55 115.47 2rdx n ASP 212 Ca -0.03 -3.01 -0.26 0.00 0.71 0.00 0.00 54.79 52.20 2rdx n ASP 212 Cb 0.11 -0.71 -0.11 0.00 -0.02 0.00 0.00 41.12 40.39 2rdx n ASP 212 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2rdx s LEU 213 N -2.65 2.48 -0.39 0.64 1.43 -0.86 -5.11 118.68 114.22 2rdx s LEU 213 Ca 0.51 -0.92 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 2rdx s LEU 213 Cb 0.40 -1.15 0.09 0.00 0.03 0.00 0.00 46.19 45.56 2rdx s LEU 213 CO 0.13 0.09 0.17 -0.62 0.23 0.00 0.00 176.35 176.35 2rdx s ASP 214 N -2.94 5.23 0.19 2.29 2.15 -1.26 -4.96 116.67 117.36 2rdx s ASP 214 Ca 0.24 -1.78 -0.14 0.00 0.43 0.00 0.00 52.55 51.30 2rdx s ASP 214 Cb -0.07 -1.82 0.01 0.00 -0.30 0.00 0.00 42.92 40.74 2rdx s ASP 214 CO 0.11 -0.48 0.43 -0.72 -0.17 0.00 0.00 175.17 174.35 2rdx s TYR 215 N 1.21 0.14 -0.29 -5.34 -0.85 -1.26 -4.77 117.35 106.18 2rdx s TYR 215 Ca 0.05 -0.49 -0.18 0.00 -0.52 0.00 0.00 57.07 55.92 2rdx s TYR 215 Cb -0.22 0.20 -0.02 0.00 0.38 0.00 0.00 41.96 42.30 2rdx s TYR 215 CO -0.03 -0.86 0.53 0.42 -1.52 0.00 0.00 175.55 174.10 2rdx s ILE 216 N -3.93 5.03 -0.53 -3.49 1.01 0.36 -4.18 121.20 115.47 2rdx s ILE 216 Ca 0.14 0.72 -0.25 0.00 0.00 0.00 0.00 60.65 61.25 2rdx s ILE 216 Cb 0.01 -3.89 0.03 0.00 0.01 0.00 0.00 42.46 38.62 2rdx s ILE 216 CO -0.00 -0.04 0.99 -0.22 0.00 0.00 0.00 174.94 175.67 2rdx s LEU 217 N 2.38 3.94 -0.21 2.97 2.96 0.46 -0.56 118.68 130.63 2rdx s LEU 217 Ca 0.21 -0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 53.95 2rdx s LEU 217 Cb -0.15 -3.03 -0.04 0.00 0.50 0.00 0.00 46.19 43.47 2rdx s LEU 217 CO 0.11 -1.22 0.06 -0.70 -1.32 0.00 0.00 176.35 173.28 2rdx s GLU 218 N 4.08 3.83 -0.54 1.98 2.12 -0.10 -1.37 118.70 128.69 2rdx s GLU 218 Ca 0.35 -0.41 -0.05 0.00 0.36 0.00 0.00 54.97 55.23 2rdx s GLU 218 Cb -0.11 -3.25 0.01 0.00 0.26 0.00 0.00 34.13 31.04 2rdx s GLU 218 CO 0.23 0.08 0.36 0.94 -0.54 0.00 0.00 175.26 176.33 2rdx n GLN 219 N 4.13 -0.83 -0.24 4.30 -0.06 0.61 -2.65 117.38 122.64 2rdx n GLN 219 Ca -0.16 0.29 -0.02 0.00 -2.00 0.00 0.00 57.00 55.11 2rdx n GLN 219 Cb 0.52 -1.24 0.17 0.00 -4.06 0.00 0.00 30.24 25.63 2rdx n GLN 219 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 2rdx h PRO 220 N 0.11 1.06 -5.10 3.69 0.13 -1.85 -2.75 132.00 127.30 2rdx h PRO 220 Ca -0.39 -0.12 -0.58 0.00 -0.87 0.00 0.00 66.00 64.04 2rdx h PRO 220 Cb 0.83 -0.21 -0.13 0.00 0.13 0.00 0.00 31.00 31.62 2rdx h PRO 220 CO 0.24 0.78 -0.52 0.00 -0.23 0.00 0.00 178.00 178.27 2rdx h ARG 222 N 1.72 -0.77 -6.72 0.00 2.43 -1.80 -3.38 114.38 105.87 2rdx h ARG 222 Ca -0.38 0.05 -0.50 0.00 -0.81 0.00 0.00 59.98 58.35 2rdx h ARG 222 Cb 1.28 0.17 0.01 0.00 -0.42 0.00 0.00 29.97 31.02 2rdx h ARG 222 CO 0.62 -0.51 -0.01 -1.54 -1.51 0.00 0.00 179.97 177.02 2rdx s SER 223 N -4.64 6.37 0.23 -3.80 1.04 -1.26 -4.69 113.70 106.94 2rdx s SER 223 Ca -0.12 0.82 -0.06 0.00 0.48 0.00 0.00 55.95 57.07 2rdx s SER 223 Cb 0.01 -2.19 0.38 0.00 0.10 0.00 0.00 66.02 64.32 2rdx s SER 223 CO 0.36 -0.39 1.75 0.22 0.98 0.00 0.00 173.24 176.16 2rdx h TYR 224 N 0.92 0.52 -0.29 5.02 3.20 -1.94 -2.10 116.97 122.29 2rdx h TYR 224 Ca -0.48 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.42 2rdx h TYR 224 Cb 1.20 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 2rdx h TYR 224 CO 0.57 0.12 0.18 0.93 -1.64 0.00 0.00 178.16 178.32 2rdx h GLU 225 N 0.48 0.39 -0.51 1.82 3.07 -1.99 -0.16 114.58 117.69 2rdx h GLU 225 Ca 0.37 -0.03 0.04 0.00 -0.50 0.00 0.00 59.36 59.23 2rdx h GLU 225 Cb 0.49 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.28 2rdx h GLU 225 CO -0.34 0.30 0.27 0.93 -1.40 0.00 0.00 179.01 178.77 2rdx h GLU 226 N 0.37 0.52 -0.65 2.33 5.08 -1.91 -0.70 114.58 119.64 2rdx h GLU 226 Ca 0.10 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2rdx h GLU 226 Cb 0.00 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2rdx h GLU 226 CO -0.02 0.34 0.25 0.00 -1.00 0.00 0.00 179.01 178.59 2rdx h GLN 228 N 0.93 0.75 -0.61 0.00 1.08 -0.43 -1.05 115.11 115.78 2rdx h GLN 228 Ca 0.22 -0.17 -0.06 0.00 -1.45 0.00 0.00 58.65 57.19 2rdx h GLN 228 Cb 0.18 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 2rdx h GLN 228 CO -0.02 0.72 0.15 0.37 -0.95 0.00 0.00 178.83 179.11 2rdx h GLN 229 N 0.71 0.94 -0.14 1.46 4.15 -0.66 -2.53 115.11 119.04 2rdx h GLN 229 Ca 0.15 -0.20 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 2rdx h GLN 229 Cb 0.37 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2rdx h GLN 229 CO 0.01 0.83 0.01 0.28 -1.93 0.00 0.00 178.83 178.03 2rdx h VAL 230 N 0.90 1.24 -0.34 2.39 2.07 -1.19 -3.20 116.25 118.11 2rdx h VAL 230 Ca 0.20 -0.77 0.10 0.00 0.82 0.00 0.00 66.70 67.04 2rdx h VAL 230 Cb 0.31 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2rdx h VAL 230 CO -0.00 0.23 0.32 -0.09 0.02 0.00 0.00 177.57 178.04 2rdx h ARG 231 N -0.01 0.00 -0.49 1.57 2.43 -1.02 0.98 114.38 117.83 2rdx h ARG 231 Ca 0.04 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 2rdx h ARG 231 Cb 0.34 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 2rdx h ARG 231 CO 0.01 0.00 0.33 -0.09 -1.51 0.00 0.00 179.97 178.70 2rdx h ARG 232 N 0.00 0.52 0.00 0.20 2.43 -1.45 -3.15 114.38 112.94 2rdx h ARG 232 Ca 0.16 -0.03 -0.32 0.00 -0.81 0.00 0.00 59.98 58.98 2rdx h ARG 232 Cb 0.80 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.17 2rdx h ARG 232 CO -0.00 0.34 -2.20 0.28 -1.51 0.00 0.00 179.97 176.88 2rdx n VAL 233 N -4.47 1.21 -2.90 0.20 0.31 -0.32 -4.96 118.33 107.39 2rdx n VAL 233 Ca 0.06 -0.63 -0.42 0.00 -0.01 0.00 0.00 64.34 63.34 2rdx n VAL 233 Cb 0.16 -0.83 -0.05 0.00 -0.91 0.00 0.00 33.84 32.21 2rdx n VAL 233 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2rdx s ALA 234 N -2.42 3.47 -1.08 3.52 0.00 0.19 -4.91 121.76 120.53 2rdx s ALA 234 Ca -0.17 -0.48 0.27 0.00 0.00 0.00 0.00 51.96 51.59 2rdx s ALA 234 Cb 0.06 -3.39 0.91 0.00 0.00 0.00 0.00 23.12 20.70 2rdx s ALA 234 CO 0.62 -1.38 1.69 -0.25 0.00 0.00 0.00 175.76 176.44 2rdx n ASP 235 N 6.42 0.29 -4.76 0.00 8.00 -1.26 -4.64 116.55 120.59 2rdx n ASP 235 Ca 0.05 0.03 -0.40 0.00 0.71 0.00 0.00 54.79 55.18 2rdx n ASP 235 Cb 0.48 -0.11 0.02 0.00 -0.02 0.00 0.00 41.12 41.48 2rdx n ASP 235 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rdx n GLN 236 N -1.43 2.31 -1.67 -1.24 3.00 -1.26 -4.91 117.38 112.19 2rdx n GLN 236 Ca 0.07 0.82 -0.47 0.00 -0.01 0.00 0.00 57.00 57.41 2rdx n GLN 236 Cb 0.33 -2.64 -0.05 0.00 0.00 0.00 0.00 30.24 27.89 2rdx n GLN 236 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 2rdx n PRO 237 N -0.11 2.09 -3.78 -1.09 -0.02 -1.26 -4.75 135.00 126.08 2rdx n PRO 237 Ca 0.05 0.76 -0.36 0.00 -2.02 0.00 0.00 63.50 61.93 2rdx n PRO 237 Cb 0.41 -2.55 -0.10 0.00 -0.02 0.00 0.00 33.50 31.24 2rdx n PRO 237 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2rdx s MET 238 N 2.10 4.03 -0.19 -0.52 1.75 -1.26 -0.40 119.30 124.80 2rdx s MET 238 Ca 0.85 -0.30 -0.09 0.00 -1.25 0.00 0.00 55.69 54.89 2rdx s MET 238 Cb -0.70 -3.40 -0.05 0.00 2.84 0.00 0.00 34.83 33.51 2rdx s MET 238 CO 0.44 0.14 0.11 0.21 -0.65 0.00 0.00 175.02 175.27 2rdx s LYS 239 N 0.78 4.10 -0.04 4.11 2.20 -0.47 -0.39 119.74 130.03 2rdx s LYS 239 Ca 0.06 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.40 2rdx s LYS 239 Cb -0.13 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 2rdx s LYS 239 CO 0.02 0.30 0.04 -0.51 -0.36 0.00 0.00 175.35 174.84 2rdx s LEU 240 N 0.34 3.72 0.00 5.43 1.43 -0.47 -0.28 118.68 128.85 2rdx s LEU 240 Ca 0.06 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 2rdx s LEU 240 Cb -0.11 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.09 2rdx s LEU 240 CO -0.01 0.33 0.00 -0.67 0.23 0.00 0.00 176.35 176.22 2rdx n ASP 241 N 1.67 0.00 0.08 2.29 -0.08 -1.26 0.07 116.55 119.33 2rdx n ASP 241 Ca -0.16 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.15 2rdx n ASP 241 Cb 0.53 0.00 0.41 0.00 2.34 0.00 0.00 41.12 44.40 2rdx n ASP 241 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2rdx h GLU 242 N 0.00 0.34 0.00 -0.67 3.07 -1.94 -1.84 114.58 113.53 2rdx h GLU 242 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2rdx h GLU 242 Cb 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 2rdx h GLU 242 CO 0.00 0.37 0.00 0.00 -1.40 0.00 0.00 179.01 177.98 2rdx s VAL 244 N -3.27 3.63 -1.22 0.00 1.01 -0.69 -4.72 120.40 115.14 2rdx s VAL 244 Ca 0.07 -0.95 0.22 0.00 0.00 0.00 0.00 61.98 61.32 2rdx s VAL 244 Cb 0.09 -4.57 -0.14 0.00 0.00 0.00 0.00 36.38 31.75 2rdx s VAL 244 CO 0.59 -1.19 1.02 0.35 0.00 0.00 0.00 175.10 175.87 2rdx n THR 245 N 7.56 0.00 -3.45 3.92 -2.24 -1.26 -4.64 114.28 114.17 2rdx n THR 245 Ca 0.44 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 62.16 2rdx n THR 245 Cb 0.47 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 2rdx n THR 245 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rdx n GLY 246 N 1.48 -1.02 0.16 3.38 0.00 -1.26 -4.31 105.19 103.62 2rdx n GLY 246 Ca 0.05 -0.93 -0.05 0.00 0.00 0.00 0.00 46.02 45.09 2rdx n GLY 246 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2rdx h LEU 247 N 0.00 0.25 -0.66 0.99 5.85 -1.93 -2.14 115.31 117.67 2rdx h LEU 247 Ca 0.00 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2rdx h LEU 247 Cb 0.00 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2rdx h LEU 247 CO 0.00 0.83 0.39 -0.74 -0.34 0.00 0.00 178.44 178.58 2rdx h HIS 248 N 0.16 0.87 -0.14 1.25 2.76 -1.99 0.67 115.15 118.72 2rdx h HIS 248 Ca -0.01 -0.01 -0.19 0.00 -2.20 0.00 0.00 60.37 57.96 2rdx h HIS 248 Cb 1.17 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.85 2rdx h HIS 248 CO 0.02 0.60 -0.70 1.98 -1.30 0.00 0.00 177.93 178.53 2rdx h MET 249 N 0.89 0.61 -0.80 5.26 1.85 -1.91 -2.66 114.93 118.18 2rdx h MET 249 Ca 0.24 -0.46 0.05 0.00 -0.61 0.00 0.00 59.70 58.92 2rdx h MET 249 Cb -0.01 0.09 -0.06 0.00 0.43 0.00 0.00 31.60 32.05 2rdx h MET 249 CO -0.04 1.08 0.49 0.00 -0.40 0.00 0.00 176.91 178.04 2rdx h ALA 250 N 0.79 1.08 -0.15 0.39 0.00 -0.99 0.88 119.26 121.27 2rdx h ALA 250 Ca -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2rdx h ALA 250 Cb 1.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2rdx h ALA 250 CO 0.13 0.23 0.09 1.96 0.00 0.00 0.00 179.25 181.66 2rdx h GLN 251 N 0.91 0.20 -0.77 0.00 4.20 -0.84 -1.36 115.11 117.45 2rdx h GLN 251 Ca 0.34 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.04 2rdx h GLN 251 Cb 0.14 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 2rdx h GLN 251 CO -0.16 0.19 0.50 0.00 -0.67 0.00 0.00 178.83 178.69 2rdx h ARG 252 N 0.16 1.02 -0.37 1.46 3.08 -1.05 -0.38 114.38 118.30 2rdx h ARG 252 Ca 0.05 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 2rdx h ARG 252 Cb 0.04 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 2rdx h ARG 252 CO -0.01 0.69 0.05 0.82 -1.07 0.00 0.00 179.97 180.45 2rdx h ILE 253 N 1.05 1.24 -0.41 2.04 2.04 -0.73 -2.32 117.51 120.43 2rdx h ILE 253 Ca 0.28 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 2rdx h ILE 253 Cb -0.10 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2rdx h ILE 253 CO -0.06 0.29 0.09 0.58 0.00 0.00 0.00 178.15 179.05 2rdx h VAL 254 N 0.45 1.23 -0.84 1.67 2.07 -1.10 0.17 116.25 119.90 2rdx h VAL 254 Ca 0.11 -0.81 0.07 0.00 0.82 0.00 0.00 66.70 66.89 2rdx h VAL 254 Cb 0.38 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 2rdx h VAL 254 CO 0.01 0.28 0.55 0.00 0.02 0.00 0.00 177.57 178.43 2rdx h ALA 255 N 0.94 1.60 -0.00 1.67 0.00 -1.02 -1.31 119.26 121.14 2rdx h ALA 255 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2rdx h ALA 255 Cb 0.33 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2rdx h ALA 255 CO 0.00 0.26 -0.35 -0.25 0.00 0.00 0.00 179.25 178.91 2rdx n ASP 256 N -4.49 0.47 -3.99 0.00 8.00 -0.88 -4.96 116.55 110.70 2rdx n ASP 256 Ca 0.13 -0.21 -0.43 0.00 0.71 0.00 0.00 54.79 54.99 2rdx n ASP 256 Cb 0.23 0.07 0.02 0.00 -0.02 0.00 0.00 41.12 41.43 2rdx n ASP 256 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2rdx n ARG 257 N -1.36 -0.53 -0.03 -1.24 5.12 -0.18 -4.88 116.66 113.56 2rdx n ARG 257 Ca 0.07 0.17 0.13 0.00 -1.93 0.00 0.00 57.85 56.29 2rdx n ARG 257 Cb 0.33 -2.96 0.31 0.00 -1.16 0.00 0.00 32.46 28.98 2rdx n ARG 257 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2rdx n GLY 258 N -2.01 0.62 3.46 -0.13 0.00 0.43 -4.90 105.19 102.65 2rdx n GLY 258 Ca -0.11 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 2rdx n GLY 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rdx s ALA 259 N -1.92 -1.30 -0.13 4.61 0.00 -1.26 -4.95 121.76 116.81 2rdx s ALA 259 Ca 0.33 0.17 0.19 0.00 0.00 0.00 0.00 51.96 52.65 2rdx s ALA 259 Cb 0.20 0.84 -0.25 0.00 0.00 0.00 0.00 23.12 23.91 2rdx s ALA 259 CO 0.31 -0.77 0.38 0.39 0.00 0.00 0.00 175.76 176.06 2rdx n GLU 260 N -0.35 0.66 -4.11 0.00 4.71 0.48 -4.92 120.64 117.12 2rdx n GLU 260 Ca -0.14 -0.00 -0.16 0.00 -0.01 0.00 0.00 57.16 56.84 2rdx n GLU 260 Cb 0.64 -1.59 -0.15 0.00 -1.01 0.00 0.00 31.44 29.33 2rdx n GLU 260 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2rdx s ILE 261 N -2.89 0.36 -0.18 -3.67 1.01 -0.84 -4.09 121.20 110.90 2rdx s ILE 261 Ca -0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.40 2rdx s ILE 261 Cb 0.09 -0.33 -0.01 0.00 0.01 0.00 0.00 42.46 42.22 2rdx s ILE 261 CO 0.85 0.12 -0.10 0.00 0.00 0.00 0.00 174.94 175.81 2rdx s LEU 264 N 0.36 4.86 -0.22 0.00 1.43 0.99 -4.68 118.68 121.43 2rdx s LEU 264 Ca 0.39 -2.36 -0.18 0.00 -1.03 0.00 0.00 54.13 50.96 2rdx s LEU 264 Cb -0.19 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 2rdx s LEU 264 CO 0.22 -0.39 0.51 -0.54 0.23 0.00 0.00 176.35 176.37 2rdx s LYS 265 N 0.64 4.16 0.21 1.70 1.02 -1.26 -0.66 119.74 125.55 2rdx s LYS 265 Ca 0.12 0.38 -0.11 0.00 0.02 0.00 0.00 55.97 56.38 2rdx s LYS 265 Cb -0.21 -3.58 0.28 0.00 -0.52 0.00 0.00 37.83 33.80 2rdx s LYS 265 CO -0.05 -0.19 1.69 0.82 -0.92 0.00 0.00 175.35 176.70 2rdx h ILE 266 N 5.18 0.60 0.00 2.17 2.04 -1.55 -1.72 117.51 124.23 2rdx h ILE 266 Ca -0.33 -0.07 -0.14 0.00 1.00 0.00 0.00 64.86 65.32 2rdx h ILE 266 Cb 1.15 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 2rdx h ILE 266 CO 0.73 0.04 -0.68 0.28 0.00 0.00 0.00 178.15 178.52 2rdx h SER 267 N 0.20 0.00 0.65 1.72 0.02 -1.88 -0.59 113.55 113.67 2rdx h SER 267 Ca 0.31 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.17 2rdx h SER 267 Cb 0.48 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2rdx h SER 267 CO -0.44 0.68 -0.41 -1.13 -1.14 0.00 0.00 176.83 174.40 2rdx h ASN 268 N 0.00 0.00 0.60 3.07 -1.24 -1.77 -2.83 115.58 113.41 2rdx h ASN 268 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 2rdx h ASN 268 Cb 1.34 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.39 2rdx h ASN 268 CO 0.09 0.41 -0.43 0.18 -1.29 0.00 0.00 177.43 176.39 2rdx n LEU 269 N -3.73 0.43 0.00 0.34 4.77 -0.71 -4.61 117.00 113.49 2rdx n LEU 269 Ca -0.01 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2rdx n LEU 269 Cb 0.49 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2rdx n LEU 269 CO 0.38 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2rdx n GLY 270 N 1.49 1.00 0.00 -0.72 0.00 -0.90 -4.50 105.19 101.56 2rdx n GLY 270 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2rdx n GLY 270 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rdx n GLY 271 N -2.03 2.40 0.26 -0.02 0.00 -0.28 -4.27 105.19 101.25 2rdx n GLY 271 Ca 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 46.02 43.84 2rdx n GLY 271 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2rdx h LEU 272 N 0.00 0.59 -0.13 0.99 5.85 -1.84 0.16 115.31 120.94 2rdx h LEU 272 Ca 0.00 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 2rdx h LEU 272 Cb 0.00 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2rdx h LEU 272 CO 0.00 0.76 0.07 0.28 -0.34 0.00 0.00 178.44 179.21 2rdx h SER 273 N 0.54 0.16 0.11 1.25 0.02 -1.90 0.59 113.55 114.33 2rdx h SER 273 Ca 0.09 -0.08 -0.19 0.00 -0.84 0.00 0.00 61.79 60.78 2rdx h SER 273 Cb 0.57 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 2rdx h SER 273 CO 0.04 0.19 -0.70 0.11 -1.14 0.00 0.00 176.83 175.32 2rdx h LYS 274 N 0.12 0.53 -0.41 3.45 1.57 -1.82 -3.07 116.57 116.94 2rdx h LYS 274 Ca 0.05 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2rdx h LYS 274 Cb 0.07 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2rdx h LYS 274 CO -0.01 1.04 0.25 0.00 -0.57 0.00 0.00 179.45 180.16 2rdx h ALA 275 N 0.85 0.52 -0.70 3.86 0.00 -0.80 -1.82 119.26 121.18 2rdx h ALA 275 Ca -0.03 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.94 2rdx h ALA 275 Cb 1.29 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 2rdx h ALA 275 CO 0.13 0.00 0.31 -0.09 0.00 0.00 0.00 179.25 179.61 2rdx h ARG 276 N 0.54 0.50 -0.04 0.00 1.12 -0.90 -0.01 114.38 115.59 2rdx h ARG 276 Ca 0.15 -0.03 -0.17 0.00 -1.11 0.00 0.00 59.98 58.82 2rdx h ARG 276 Cb -0.02 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 29.82 2rdx h ARG 276 CO -0.03 0.33 -0.73 0.00 -3.11 0.00 0.00 179.97 176.44 2rdx h ARG 277 N 0.52 0.23 -0.12 0.20 3.08 -1.38 0.51 114.38 117.41 2rdx h ARG 277 Ca 0.36 -0.19 -0.21 0.00 0.07 0.00 0.00 59.98 60.00 2rdx h ARG 277 Cb 0.44 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2rdx h ARG 277 CO -0.31 0.86 -0.76 1.15 -1.07 0.00 0.00 179.97 179.84 2rdx h THR 278 N 0.15 1.32 0.42 2.04 2.02 -1.05 -1.39 112.91 116.43 2rdx h THR 278 Ca -0.02 -2.04 -0.01 0.00 0.77 0.00 0.00 66.41 65.10 2rdx h THR 278 Cb 1.29 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.73 2rdx h THR 278 CO 0.11 0.63 -0.28 -0.09 0.37 0.00 0.00 175.52 176.26 2rdx h ARG 279 N 0.44 -0.66 -0.68 6.66 2.43 -0.87 -1.51 114.38 120.20 2rdx h ARG 279 Ca -0.04 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2rdx h ARG 279 Cb 1.37 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 31.04 2rdx h ARG 279 CO 0.15 -0.44 0.44 -0.44 -1.51 0.00 0.00 179.97 178.17 2rdx h ASP 280 N -0.68 0.78 -0.27 -3.80 5.19 -0.90 0.08 116.42 116.82 2rdx h ASP 280 Ca -0.04 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.30 2rdx h ASP 280 Cb 0.57 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 2rdx h ASP 280 CO 0.03 0.57 -0.00 0.15 -3.12 0.00 0.00 179.24 176.87 2rdx h PHE 281 N 0.92 0.52 -0.44 4.55 3.57 -1.18 -2.75 116.94 122.12 2rdx h PHE 281 Ca 0.25 -0.09 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 2rdx h PHE 281 Cb -0.10 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 2rdx h PHE 281 CO 0.00 0.63 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.45 2rdx h LEU 282 N 0.25 0.88 -0.86 0.59 3.38 -0.62 -2.48 115.31 116.44 2rdx h LEU 282 Ca 0.07 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 2rdx h LEU 282 Cb 0.43 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2rdx h LEU 282 CO 0.01 1.05 0.15 0.40 0.09 0.00 0.00 178.44 180.14 2rdx h ILE 283 N 0.76 1.25 0.00 1.22 5.03 -1.05 0.12 117.51 124.84 2rdx h ILE 283 Ca 0.11 -0.92 -0.05 0.00 -0.12 0.00 0.00 64.86 63.88 2rdx h ILE 283 Cb 0.73 0.61 -0.01 0.00 -3.03 0.00 0.00 36.82 35.12 2rdx h ILE 283 CO 0.06 0.35 -0.22 0.44 -0.68 0.00 0.00 178.15 178.09 2rdx h ASP 284 N 0.95 0.00 -0.57 1.72 3.32 -1.39 -1.15 116.42 119.30 2rdx h ASP 284 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2rdx h ASP 284 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2rdx h ASP 284 CO 0.00 0.22 0.00 0.59 -1.72 0.00 0.00 179.24 178.34 2rdx n ASN 285 N -3.56 3.09 -3.61 6.45 3.02 -0.87 -4.96 115.26 114.82 2rdx n ASN 285 Ca -0.01 -2.01 -0.25 0.00 -0.03 0.00 0.00 54.58 52.28 2rdx n ASN 285 Cb 0.37 -0.39 0.07 0.00 -0.61 0.00 0.00 39.78 39.22 2rdx n ASN 285 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2rdx n ARG 286 N 1.17 -7.33 -3.41 3.52 1.74 -0.43 -4.99 116.66 106.93 2rdx n ARG 286 Ca 0.19 0.79 -0.39 0.00 -0.77 0.00 0.00 57.85 57.68 2rdx n ARG 286 Cb 0.49 -5.81 -0.09 0.00 -1.02 0.00 0.00 32.46 26.03 2rdx n ARG 286 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 2rdx s MET 287 N -6.33 4.02 0.31 5.56 1.75 -0.08 -5.01 119.30 119.52 2rdx s MET 287 Ca 0.58 0.02 -0.29 0.00 -1.25 0.00 0.00 55.69 54.74 2rdx s MET 287 Cb -0.26 -3.65 -0.12 0.00 2.84 0.00 0.00 34.83 33.64 2rdx s MET 287 CO 0.72 -0.25 1.50 -2.30 -0.65 0.00 0.00 175.02 174.03 2rdx n PRO 288 N 5.25 2.50 -4.33 4.11 -0.02 -1.26 -4.23 135.00 137.02 2rdx n PRO 288 Ca -0.09 0.89 -0.18 0.00 -2.02 0.00 0.00 63.50 62.09 2rdx n PRO 288 Cb 0.51 -2.61 -0.10 0.00 -0.02 0.00 0.00 33.50 31.28 2rdx n PRO 288 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2rdx s VAL 289 N -0.44 1.67 -0.11 -1.45 -7.23 0.09 -1.67 120.40 111.27 2rdx s VAL 289 Ca 0.61 -2.15 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 2rdx s VAL 289 Cb -0.53 -1.98 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 2rdx s VAL 289 CO 0.54 -0.58 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.90 2rdx s VAL 290 N -2.89 2.73 -0.32 1.32 1.01 -0.63 -0.90 120.40 120.71 2rdx s VAL 290 Ca 0.21 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 2rdx s VAL 290 Cb -0.01 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.28 2rdx s VAL 290 CO 0.06 0.54 0.13 0.00 0.00 0.00 0.00 175.10 175.83 2rdx s ALA 291 N 0.21 3.16 0.10 5.51 0.00 -0.99 -0.01 121.76 129.74 2rdx s ALA 291 Ca -0.11 -1.54 -0.01 0.00 0.00 0.00 0.00 51.96 50.31 2rdx s ALA 291 Cb -0.16 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.64 2rdx s ALA 291 CO 0.06 -1.08 0.15 0.39 0.00 0.00 0.00 175.76 175.27 2rdx n GLU 292 N 4.92 0.21 -4.21 0.00 1.02 0.16 -4.44 120.64 118.30 2rdx n GLU 292 Ca -0.13 -0.80 -0.18 0.00 -0.02 0.00 0.00 57.16 56.02 2rdx n GLU 292 Cb 0.47 0.78 -0.07 0.00 -0.02 0.00 0.00 31.44 32.61 2rdx n GLU 292 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2rdx s ASP 293 N -1.63 1.40 0.04 1.62 -1.08 -1.26 -1.35 116.67 114.42 2rdx s ASP 293 Ca 0.08 -1.67 -0.28 0.00 -0.52 0.00 0.00 52.55 50.16 2rdx s ASP 293 Cb -0.00 0.60 -0.17 0.00 -1.46 0.00 0.00 42.92 41.88 2rdx s ASP 293 CO 0.06 -1.15 1.44 0.77 0.52 0.00 0.00 175.17 176.81 2rdx h SER 294 N 2.13 -0.53 -5.47 -0.34 4.64 -1.92 -3.47 113.55 108.59 2rdx h SER 294 Ca -0.26 -0.05 0.22 0.00 -0.47 0.00 0.00 61.79 61.22 2rdx h SER 294 Cb 1.23 0.14 -0.09 0.00 -0.31 0.00 0.00 62.40 63.37 2rdx h SER 294 CO 0.37 -0.26 0.60 0.86 -0.87 0.00 0.00 176.83 177.53 2rdx s TRP 295 N -5.41 -0.08 -4.60 4.77 -0.11 -1.15 -4.43 118.94 107.93 2rdx s TRP 295 Ca -0.16 -0.18 0.00 0.00 1.22 0.00 0.00 56.10 56.99 2rdx s TRP 295 Cb 0.03 0.62 0.00 0.00 -1.50 0.00 0.00 33.47 32.62 2rdx s TRP 295 CO 0.58 -0.67 0.00 0.41 -4.62 0.00 0.00 176.95 172.64 2rdx n GLY 296 N -0.51 1.02 0.00 5.86 0.00 -1.26 -4.18 105.19 106.12 2rdx n GLY 296 Ca -0.06 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.98 2rdx n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rdx n GLY 297 N -1.91 0.34 0.27 -0.02 0.00 -1.26 -2.67 105.19 99.93 2rdx n GLY 297 Ca 0.00 -1.66 -0.01 0.00 0.00 0.00 0.00 46.02 44.35 2rdx n GLY 297 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2rdx h GLU 298 N 0.00 0.57 -0.19 1.61 3.07 -1.88 -1.64 114.58 116.12 2rdx h GLU 298 Ca 0.00 -0.14 -0.04 0.00 -0.50 0.00 0.00 59.36 58.68 2rdx h GLU 298 Cb 0.00 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 2rdx h GLU 298 CO 0.00 0.62 -0.03 0.82 -1.40 0.00 0.00 179.01 179.02 2rdx h ILE 299 N 0.54 1.28 -0.71 3.13 2.04 -1.91 0.19 117.51 122.07 2rdx h ILE 299 Ca 0.11 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.96 2rdx h ILE 299 Cb 0.40 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 2rdx h ILE 299 CO 0.02 0.29 0.27 0.00 0.00 0.00 0.00 178.15 178.73 2rdx h ALA 300 N 0.74 0.92 0.00 1.87 0.00 -1.80 -2.98 119.26 118.01 2rdx h ALA 300 Ca 0.05 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2rdx h ALA 300 Cb 0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2rdx h ALA 300 CO 0.02 0.55 -0.37 0.77 0.00 0.00 0.00 179.25 180.22 2rdx h SER 301 N 1.02 0.00 -0.16 0.00 0.02 -1.03 -2.60 113.55 110.80 2rdx h SER 301 Ca 0.23 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2rdx h SER 301 Cb 0.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2rdx h SER 301 CO -0.02 0.37 0.08 0.00 -1.14 0.00 0.00 176.83 176.12 2rdx h ALA 302 N 1.63 0.20 -0.79 3.77 0.00 -0.47 -0.61 119.26 122.98 2rdx h ALA 302 Ca -0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2rdx h ALA 302 Cb 0.66 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2rdx h ALA 302 CO 0.05 -0.25 0.32 0.00 0.00 0.00 0.00 179.25 179.36 2rdx h ALA 303 N 0.96 1.06 -0.57 0.00 0.00 -1.49 -2.51 119.26 116.71 2rdx h ALA 303 Ca 0.05 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2rdx h ALA 303 Cb 0.09 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2rdx h ALA 303 CO -0.01 0.66 0.35 0.28 0.00 0.00 0.00 179.25 180.54 2rdx h VAL 304 N 1.15 1.08 -0.27 0.00 2.07 -1.32 -1.96 116.25 117.00 2rdx h VAL 304 Ca 0.26 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.44 2rdx h VAL 304 Cb 0.21 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2rdx h VAL 304 CO -0.02 0.13 -0.28 0.00 0.02 0.00 0.00 177.57 177.42 2rdx h ALA 305 N 1.24 1.02 -0.01 1.67 0.00 -0.84 0.14 119.26 122.48 2rdx h ALA 305 Ca 0.23 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 2rdx h ALA 305 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2rdx h ALA 305 CO -0.09 0.59 -0.77 0.45 0.00 0.00 0.00 179.25 179.43 2rdx h HIS 306 N 0.46 0.18 -0.11 0.00 3.86 -1.39 -1.05 115.15 117.10 2rdx h HIS 306 Ca 0.06 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 2rdx h HIS 306 Cb 0.73 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.17 2rdx h HIS 306 CO 0.03 0.84 -0.03 0.35 0.86 0.00 0.00 177.93 179.97 2rdx h PHE 307 N 0.08 0.25 -0.75 2.45 3.57 -1.07 -2.66 116.94 118.81 2rdx h PHE 307 Ca -0.02 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.38 2rdx h PHE 307 Cb 1.35 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 2rdx h PHE 307 CO 0.02 0.54 0.31 0.00 -2.23 0.00 0.00 178.31 176.94 2rdx h ALA 308 N 0.68 0.98 0.00 2.41 0.00 -0.98 -3.10 119.26 119.25 2rdx h ALA 308 Ca 0.03 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2rdx h ALA 308 Cb 0.46 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2rdx h ALA 308 CO 0.01 0.60 -0.39 0.00 0.00 0.00 0.00 179.25 179.47 2rdx h ALA 309 N 1.16 1.26 -0.56 0.00 0.00 -1.18 -2.54 119.26 117.40 2rdx h ALA 309 Ca 0.25 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2rdx h ALA 309 Cb 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2rdx h ALA 309 CO -0.02 0.48 0.00 -1.13 0.00 0.00 0.00 179.25 178.58 2rdx n SER 310 N -3.94 3.35 -4.73 0.00 3.41 -1.00 -0.16 113.62 110.55 2rdx n SER 310 Ca -0.02 -2.12 -0.36 0.00 -0.26 0.00 0.00 58.87 56.12 2rdx n SER 310 Cb 0.44 -0.43 -0.08 0.00 -0.26 0.00 0.00 64.21 63.88 2rdx n SER 310 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2rdx s THR 311 N -1.42 5.36 0.07 6.66 2.01 -0.96 -4.72 115.64 122.65 2rdx s THR 311 Ca 0.39 0.37 -0.35 0.00 0.31 0.00 0.00 61.69 62.41 2rdx s THR 311 Cb 0.22 -3.55 -0.14 0.00 0.01 0.00 0.00 72.50 69.04 2rdx s THR 311 CO 0.24 0.42 1.58 -2.65 -0.69 0.00 0.00 174.62 173.52 2rdx n PRO 312 N 3.54 1.84 0.30 4.92 -0.02 -1.26 -3.68 135.00 140.63 2rdx n PRO 312 Ca -0.14 0.67 0.17 0.00 -2.02 0.00 0.00 63.50 62.17 2rdx n PRO 312 Cb 0.52 -2.41 0.93 0.00 -0.02 0.00 0.00 33.50 32.51 2rdx n PRO 312 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2rdx h GLU 313 N 6.22 0.00 -0.00 -0.52 4.11 -1.79 -1.49 114.58 121.11 2rdx h GLU 313 Ca -0.46 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 58.88 2rdx h GLU 313 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 2rdx h GLU 313 CO 0.88 0.04 -0.44 1.05 0.07 0.00 0.00 179.01 180.61 2rdx h GLU 314 N 0.00 0.00 -0.01 1.06 4.11 -1.88 -3.24 114.58 114.62 2rdx h GLU 314 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2rdx h GLU 314 Cb 0.14 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2rdx h GLU 314 CO 0.00 0.44 -0.04 1.19 0.07 0.00 0.00 179.01 180.67 2rdx n PHE 315 N -4.02 0.00 -3.10 2.06 3.72 -0.62 -4.92 117.46 110.58 2rdx n PHE 315 Ca -0.02 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.95 2rdx n PHE 315 Cb 0.46 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.94 2rdx n PHE 315 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2rdx s LEU 316 N -1.08 4.54 -0.01 4.37 2.96 -0.82 -0.73 118.68 127.91 2rdx s LEU 316 Ca 0.12 -0.42 -0.22 0.00 -0.22 0.00 0.00 54.13 53.40 2rdx s LEU 316 Cb 0.09 -2.70 -0.13 0.00 0.50 0.00 0.00 46.19 43.95 2rdx s LEU 316 CO 0.16 -0.83 0.93 0.40 -1.32 0.00 0.00 176.35 175.70 2rdx h ILE 317 N 5.89 0.23 -2.91 6.68 1.08 -1.34 -3.47 117.51 123.67 2rdx h ILE 317 Ca -0.26 -0.56 0.03 0.00 -0.39 0.00 0.00 64.86 63.69 2rdx h ILE 317 Cb 1.09 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 2rdx h ILE 317 CO 0.92 0.05 0.31 0.54 -0.69 0.00 0.00 178.15 179.28 2rdx s ASN 318 N -4.86 -0.07 0.09 1.72 2.20 -1.26 -4.73 114.94 108.04 2rdx s ASN 318 Ca -0.12 -0.93 0.00 0.00 -0.94 0.00 0.00 52.86 50.88 2rdx s ASN 318 Cb 0.01 0.76 -0.00 0.00 -2.00 0.00 0.00 41.25 40.02 2rdx s ASN 318 CO 0.39 -1.49 0.11 -0.24 -2.94 0.00 0.00 177.10 172.92 2rdx n SER 319 N -1.12 -0.29 -3.78 3.54 2.88 -0.70 -2.36 113.62 111.79 2rdx n SER 319 Ca -0.07 -1.49 -0.10 0.00 -1.33 0.00 0.00 58.87 55.88 2rdx n SER 319 Cb 0.60 0.57 -0.07 0.00 -0.75 0.00 0.00 64.21 64.55 2rdx n SER 319 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2rdx s THR 320 N -2.47 0.10 -1.08 2.46 -1.32 -1.26 -1.90 115.64 110.17 2rdx s THR 320 Ca 0.08 -0.84 -0.16 0.00 -1.21 0.00 0.00 61.69 59.56 2rdx s THR 320 Cb -0.00 -1.07 0.15 0.00 -1.51 0.00 0.00 72.50 70.07 2rdx s THR 320 CO 0.06 -0.46 1.30 1.51 -2.21 0.00 0.00 174.62 174.81 2rdx s ASP 321 N -2.37 6.87 0.25 8.08 -4.77 -1.26 -4.89 116.67 118.58 2rdx s ASP 321 Ca -0.01 -2.57 -0.05 0.00 -3.30 0.00 0.00 52.55 46.62 2rdx s ASP 321 Cb 0.01 -2.40 0.31 0.00 -1.09 0.00 0.00 42.92 39.75 2rdx s ASP 321 CO -0.07 -0.89 1.90 -0.07 0.70 0.00 0.00 175.17 176.74 2rdx h LEU 322 N 10.04 1.05 -2.39 2.11 3.38 -1.91 -2.14 115.31 125.46 2rdx h LEU 322 Ca 0.25 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.23 2rdx h LEU 322 Cb 0.94 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2rdx h LEU 322 CO 1.18 0.72 0.17 0.00 0.09 0.00 0.00 178.44 180.61 2rdx h MET 323 N 1.23 0.00 -0.28 1.13 -0.00 -1.66 -1.71 114.93 113.64 2rdx h MET 323 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.09 2rdx h MET 323 Cb -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2rdx h MET 323 CO -0.12 0.00 0.00 0.09 -0.00 0.00 0.00 176.91 176.88 2rdx n ASN 324 N -3.37 2.13 0.01 -0.10 3.02 -0.80 -3.57 115.26 112.57 2rdx n ASN 324 Ca -0.01 -1.84 0.11 0.00 -0.03 0.00 0.00 54.58 52.82 2rdx n ASN 324 Cb 0.26 -0.18 0.12 0.00 -0.61 0.00 0.00 39.78 39.37 2rdx n ASN 324 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2rdx n TYR 325 N 0.63 0.09 -4.22 3.10 4.02 -0.64 -4.89 117.16 115.25 2rdx n TYR 325 Ca 0.16 0.03 -0.26 0.00 -0.01 0.00 0.00 57.90 57.82 2rdx n TYR 325 Cb 0.38 -0.26 -0.08 0.00 -0.02 0.00 0.00 39.34 39.37 2rdx n TYR 325 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 2rdx s ASN 326 N -3.27 4.70 0.16 7.72 0.01 -1.23 -0.64 114.94 122.38 2rdx s ASN 326 Ca 0.08 -0.45 0.24 0.00 -0.71 0.00 0.00 52.86 52.03 2rdx s ASN 326 Cb 0.16 -0.97 0.30 0.00 0.41 0.00 0.00 41.25 41.16 2rdx s ASN 326 CO 0.76 0.08 1.31 0.71 -1.51 0.00 0.00 177.10 178.44 2rdx h THR 327 N 2.40 0.00 -2.17 1.60 1.35 -1.16 -3.44 112.91 111.50 2rdx h THR 327 Ca -0.47 -0.61 -0.58 0.00 -0.55 0.00 0.00 66.41 64.21 2rdx h THR 327 Cb 1.21 1.21 -0.14 0.00 -1.73 0.00 0.00 68.15 68.71 2rdx h THR 327 CO 0.58 0.00 -0.68 -0.13 -0.25 0.00 0.00 175.52 175.04 2rdx s ARG 328 N -3.20 1.73 0.13 4.72 0.52 -1.26 -5.00 118.95 116.58 2rdx s ARG 328 Ca 0.05 -1.88 0.06 0.00 -0.52 0.00 0.00 55.73 53.44 2rdx s ARG 328 Cb 0.12 -1.53 -0.04 0.00 0.52 0.00 0.00 34.95 34.02 2rdx s ARG 328 CO 0.73 0.12 -0.02 -1.12 0.02 0.00 0.00 175.30 175.02 2rdx s SER 329 N -3.55 4.78 -0.05 0.23 0.01 -1.26 -4.87 113.70 108.99 2rdx s SER 329 Ca 0.31 -0.32 0.12 0.00 1.31 0.00 0.00 55.95 57.38 2rdx s SER 329 Cb 0.03 -1.04 -0.18 0.00 0.21 0.00 0.00 66.02 65.04 2rdx s SER 329 CO 0.15 0.14 0.20 0.35 0.41 0.00 0.00 173.24 174.49 2rdx n THR 330 N 0.30 0.24 -4.23 1.44 -2.24 -1.26 -4.72 114.28 103.82 2rdx n THR 330 Ca -0.11 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 2rdx n THR 330 Cb 0.53 -0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.60 2rdx n THR 330 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2rdx s GLY 331 N -3.74 1.14 -0.20 3.38 0.00 -1.26 -1.47 107.32 105.17 2rdx s GLY 331 Ca -0.05 -1.55 -0.04 0.00 0.00 0.00 0.00 44.72 43.09 2rdx s GLY 331 CO 0.51 -1.52 -0.04 1.08 0.00 0.00 0.00 173.10 173.12 2rdx s LEU 332 N -3.15 2.98 0.00 0.66 1.02 0.18 -4.57 118.68 115.80 2rdx s LEU 332 Ca 0.21 -0.32 0.00 0.00 0.02 0.00 0.00 54.13 54.04 2rdx s LEU 332 Cb 0.06 -1.75 0.00 0.00 0.02 0.00 0.00 46.19 44.52 2rdx s LEU 332 CO 0.02 0.03 0.00 0.61 0.02 0.00 0.00 176.35 177.04 2rdx n GLY 333 N 4.43 0.84 3.33 -3.19 0.00 -1.26 -1.53 105.19 107.81 2rdx n GLY 333 Ca -0.18 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2rdx n GLY 333 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rdx n GLY 334 N 0.00 -1.79 3.75 -0.02 0.00 -0.49 -4.93 105.19 101.71 2rdx n GLY 334 Ca 0.00 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 2rdx n GLY 334 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rdx s PRO 335 N 0.00 0.87 0.05 1.61 0.04 -1.26 -4.72 135.00 131.60 2rdx s PRO 335 Ca 0.00 0.34 0.06 0.00 0.04 0.00 0.00 61.00 61.44 2rdx s PRO 335 Cb 0.00 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 2rdx s PRO 335 CO 0.00 -2.39 -0.16 0.95 0.04 0.00 0.00 177.00 175.44 2rdx s THR 336 N -3.19 1.24 0.03 1.26 -4.23 -0.96 -5.01 115.64 104.78 2rdx s THR 336 Ca 0.64 -1.13 0.06 0.00 -1.18 0.00 0.00 61.69 60.09 2rdx s THR 336 Cb -0.16 -1.13 -0.03 0.00 1.34 0.00 0.00 72.50 72.52 2rdx s THR 336 CO 0.55 -0.01 -0.17 0.68 -0.54 0.00 0.00 174.62 175.12 2rdx s VAL 337 N -0.94 2.84 -0.18 2.29 -7.23 -1.26 -0.67 120.40 115.25 2rdx s VAL 337 Ca 0.02 -1.11 -0.04 0.00 -1.81 0.00 0.00 61.98 59.05 2rdx s VAL 337 Cb -0.09 -2.18 0.08 0.00 0.56 0.00 0.00 36.38 34.76 2rdx s VAL 337 CO 0.02 0.38 0.23 -2.28 -0.31 0.00 0.00 175.10 173.14 2rdx s HIS 338 N -0.89 -0.33 -1.32 2.82 2.46 -0.78 -4.93 115.29 112.32 2rdx s HIS 338 Ca 0.14 0.47 -0.06 0.00 0.47 0.00 0.00 55.06 56.08 2rdx s HIS 338 Cb -0.11 -0.26 0.01 0.00 -0.13 0.00 0.00 32.58 32.10 2rdx s HIS 338 CO 0.05 -0.52 1.07 1.04 -2.47 0.00 0.00 174.74 173.90 2rdx n GLN 339 N 5.33 -7.05 -1.50 2.88 6.02 -1.26 -2.86 117.38 118.94 2rdx n GLN 339 Ca -0.05 0.80 -0.05 0.00 -0.01 0.00 0.00 57.00 57.68 2rdx n GLN 339 Cb 0.50 -5.79 -0.02 0.00 1.02 0.00 0.00 30.24 25.95 2rdx n GLN 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2rdx n GLY 340 N -1.64 0.55 3.11 1.08 0.00 -1.25 -4.87 105.19 102.17 2rdx n GLY 340 Ca -0.12 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 2rdx n GLY 340 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rdx s ARG 341 N -3.12 1.15 -0.23 1.61 0.52 -1.14 -1.94 118.95 115.81 2rdx s ARG 341 Ca 0.00 -0.52 -0.16 0.00 -0.52 0.00 0.00 55.73 54.54 2rdx s ARG 341 Cb 0.00 -1.11 -0.04 0.00 0.52 0.00 0.00 34.95 34.32 2rdx s ARG 341 CO 0.00 0.30 0.39 -1.17 0.02 0.00 0.00 175.30 174.85 2rdx s LEU 342 N -0.36 4.11 -0.14 2.53 0.20 -0.16 -1.87 118.68 122.99 2rdx s LEU 342 Ca 0.05 0.44 -0.02 0.00 0.69 0.00 0.00 54.13 55.29 2rdx s LEU 342 Cb -0.06 -2.49 -0.02 0.00 -0.43 0.00 0.00 46.19 43.19 2rdx s LEU 342 CO -0.00 -0.12 -0.08 -0.31 -0.29 0.00 0.00 176.35 175.54 2rdx s TYR 343 N 1.61 2.92 0.53 5.38 2.02 0.15 -1.46 117.35 128.50 2rdx s TYR 343 Ca 0.18 -0.45 -0.18 0.00 -0.37 0.00 0.00 57.07 56.25 2rdx s TYR 343 Cb -0.15 -1.89 -0.07 0.00 -0.40 0.00 0.00 41.96 39.45 2rdx s TYR 343 CO 0.08 -0.11 1.04 0.00 -1.57 0.00 0.00 175.55 175.00 2rdx s ALA 344 N 0.31 2.85 0.54 3.71 0.00 -1.26 -2.27 121.76 125.64 2rdx s ALA 344 Ca -0.07 0.46 -0.19 0.00 0.00 0.00 0.00 51.96 52.16 2rdx s ALA 344 Cb -0.15 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 2rdx s ALA 344 CO 0.04 -0.49 1.12 -1.12 0.00 0.00 0.00 175.76 175.31 2rdx s SER 345 N -2.44 5.79 0.00 0.00 0.01 -1.26 -4.88 113.70 110.92 2rdx s SER 345 Ca 0.65 2.14 0.18 0.00 1.31 0.00 0.00 55.95 60.23 2rdx s SER 345 Cb -0.15 -2.58 0.12 0.00 0.21 0.00 0.00 66.02 63.62 2rdx s SER 345 CO 0.28 -1.17 1.06 0.47 0.41 0.00 0.00 173.24 174.29 2rdx n ASP 346 N -1.28 2.41 -4.81 2.44 8.00 -1.26 -4.80 116.55 117.25 2rdx n ASP 346 Ca 0.11 -1.71 -0.32 0.00 0.71 0.00 0.00 54.79 53.58 2rdx n ASP 346 Cb 0.51 0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.69 2rdx n ASP 346 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2rdx s THR 347 N -1.61 3.99 0.71 -3.53 -1.32 -1.26 -4.46 115.64 108.17 2rdx s THR 347 Ca 0.20 0.88 -0.16 0.00 -1.21 0.00 0.00 61.69 61.40 2rdx s THR 347 Cb 0.15 -3.45 -0.00 0.00 -1.51 0.00 0.00 72.50 67.68 2rdx s THR 347 CO 0.26 -0.62 0.94 -2.65 -2.21 0.00 0.00 174.62 170.35 2rdx n PRO 348 N -2.18 0.54 0.00 7.08 -0.02 -1.26 -3.58 135.00 135.59 2rdx n PRO 348 Ca 0.08 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2rdx n PRO 348 Cb 0.53 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2rdx n PRO 348 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rdx n GLY 349 N 1.15 -0.08 0.24 -1.23 0.00 -0.55 -3.55 105.19 101.17 2rdx n GLY 349 Ca 0.13 -0.98 0.13 0.00 0.00 0.00 0.00 46.02 45.30 2rdx n GLY 349 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2rdx h LEU 350 N 0.00 0.00 0.00 0.99 3.38 -1.82 -2.83 115.31 115.03 2rdx h LEU 350 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2rdx h LEU 350 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2rdx h LEU 350 CO 0.00 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.22 2rdx n GLY 351 N 0.45 0.40 3.10 0.83 0.00 -1.23 -4.78 105.19 103.95 2rdx n GLY 351 Ca 0.02 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 2rdx n GLY 351 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rdx s VAL 352 N -2.00 0.01 0.19 1.61 0.11 -1.26 -1.40 120.40 117.66 2rdx s VAL 352 Ca 0.00 -0.12 0.09 0.00 -2.93 0.00 0.00 61.98 59.03 2rdx s VAL 352 Cb 0.00 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 2rdx s VAL 352 CO 0.00 -0.06 -0.19 0.42 -3.33 0.00 0.00 175.10 171.94 2rdx s THR 353 N -0.16 1.98 0.28 5.04 -4.23 -0.58 -4.79 115.64 113.17 2rdx s THR 353 Ca -0.03 -2.03 -0.30 0.00 -1.18 0.00 0.00 61.69 58.16 2rdx s THR 353 Cb -0.02 -1.97 -0.10 0.00 1.34 0.00 0.00 72.50 71.74 2rdx s THR 353 CO 0.01 -0.33 1.43 -2.84 -0.54 0.00 0.00 174.62 172.35 2rdx s PRO 354 N -2.96 4.26 -1.25 3.99 0.02 -1.26 0.51 135.00 138.31 2rdx s PRO 354 Ca 0.19 2.32 -0.18 0.00 0.02 0.00 0.00 61.00 63.35 2rdx s PRO 354 Cb -0.05 -3.09 0.08 0.00 0.02 0.00 0.00 34.50 31.46 2rdx s PRO 354 CO 0.08 -0.40 1.65 0.34 -0.33 0.00 0.00 177.00 178.34 2rdx s ASP 355 N 0.17 6.83 0.37 2.53 -1.08 -0.54 -4.56 116.67 120.39 2rdx s ASP 355 Ca 0.57 -2.39 0.06 0.00 -0.52 0.00 0.00 52.55 50.26 2rdx s ASP 355 Cb -0.42 -2.55 0.75 0.00 -1.46 0.00 0.00 42.92 39.24 2rdx s ASP 355 CO 0.47 -1.15 1.99 -0.26 0.52 0.00 0.00 175.17 176.74 2rdx h PHE 356 N 7.81 0.71 -0.19 -5.34 0.04 -1.91 -1.53 116.94 116.53 2rdx h PHE 356 Ca 0.39 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 61.08 2rdx h PHE 356 Cb 0.89 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 2rdx h PHE 356 CO 1.36 0.41 -0.32 -0.91 -0.60 0.00 0.00 178.31 178.25 2rdx h ASN 357 N 0.73 0.39 0.84 2.17 -0.26 -1.90 -2.12 115.58 115.43 2rdx h ASN 357 Ca 0.26 -0.15 -0.24 0.00 -0.56 0.00 0.00 56.30 55.62 2rdx h ASN 357 Cb 0.13 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 2rdx h ASN 357 CO -0.08 0.70 -1.12 0.28 -1.06 0.00 0.00 177.43 176.15 2rdx h SER 358 N 0.33 0.18 0.35 5.81 0.02 -1.66 -3.34 113.55 115.23 2rdx h SER 358 Ca 0.04 -0.19 -0.24 0.00 -0.84 0.00 0.00 61.79 60.56 2rdx h SER 358 Cb 0.73 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.22 2rdx h SER 358 CO 0.06 1.15 -1.03 -0.07 -1.14 0.00 0.00 176.83 175.80 2rdx h LEU 359 N 0.03 0.57 0.00 5.07 3.38 -1.26 -3.48 115.31 119.63 2rdx h LEU 359 Ca -0.07 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2rdx h LEU 359 Cb 1.86 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.43 2rdx h LEU 359 CO 0.16 1.30 0.00 0.61 0.09 0.00 0.00 178.44 180.60 2rdx n GLY 360 N 1.10 -1.83 3.77 0.83 0.00 -0.81 -4.57 105.19 103.68 2rdx n GLY 360 Ca -0.08 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 43.95 2rdx n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rdx s ALA 361 N -1.34 3.18 0.46 4.61 0.00 -1.26 -4.89 121.76 122.52 2rdx s ALA 361 Ca 0.00 1.03 -0.23 0.00 0.00 0.00 0.00 51.96 52.76 2rdx s ALA 361 Cb 0.00 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 2rdx s ALA 361 CO 0.00 -0.60 1.18 -1.25 0.00 0.00 0.00 175.76 175.09 2rdx s PRO 362 N -2.27 3.74 0.40 0.00 0.04 -1.26 -4.79 135.00 130.85 2rdx s PRO 362 Ca 0.57 1.82 0.21 0.00 0.04 0.00 0.00 61.00 63.64 2rdx s PRO 362 Cb -0.33 -2.42 0.27 0.00 0.04 0.00 0.00 34.50 32.07 2rdx s PRO 362 CO 0.41 -0.58 1.56 -0.39 0.04 0.00 0.00 177.00 178.04 2rdx h VAL 363 N 1.88 0.18 -2.99 -0.36 -1.51 -1.09 -3.46 116.25 108.91 2rdx h VAL 363 Ca -0.49 -1.26 -0.12 0.00 -1.23 0.00 0.00 66.70 63.60 2rdx h VAL 363 Cb 1.25 2.08 -0.20 0.00 -2.13 0.00 0.00 31.29 32.29 2rdx h VAL 363 CO 0.60 0.10 -0.26 0.00 -1.23 0.00 0.00 177.57 176.79 2rdx s ALA 364 N -3.16 -0.82 -0.14 5.19 0.00 -1.18 -5.01 121.76 116.64 2rdx s ALA 364 Ca 0.06 0.38 -0.05 0.00 0.00 0.00 0.00 51.96 52.36 2rdx s ALA 364 Cb 0.06 0.05 0.07 0.00 0.00 0.00 0.00 23.12 23.30 2rdx s ALA 364 CO 0.69 -0.26 0.27 0.34 0.00 0.00 0.00 175.76 176.79 2rdx s ASP 365 N -1.27 0.45 -0.17 0.00 3.68 -1.26 -1.28 116.67 116.82 2rdx s ASP 365 Ca -0.13 0.49 0.00 0.00 2.13 0.00 0.00 52.55 55.05 2rdx s ASP 365 Cb -0.05 0.70 0.01 0.00 -1.45 0.00 0.00 42.92 42.12 2rdx s ASP 365 CO 0.04 -0.25 -0.16 0.26 0.13 0.00 0.00 175.17 175.19 2rdx s TRP 366 N 2.42 2.78 0.10 -5.34 0.51 0.21 -5.01 118.94 114.61 2rdx s TRP 366 Ca 0.02 -1.25 0.01 0.00 -2.12 0.00 0.00 56.10 52.76 2rdx s TRP 366 Cb -0.13 -1.91 -0.04 0.00 -0.81 0.00 0.00 33.47 30.58 2rdx s TRP 366 CO -0.09 -0.60 -0.03 0.00 -0.51 0.00 0.00 176.95 175.72 2rdx s ALA 367 N 1.03 0.91 0.00 0.98 0.00 -1.26 -0.63 121.76 122.79 2rdx s ALA 367 Ca -0.01 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.57 2rdx s ALA 367 Cb -0.15 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.33 2rdx s ALA 367 CO -0.04 -0.32 0.44 1.47 0.00 0.00 0.00 175.76 177.30