#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 0.96 -0.02 2.46 2.96 -1.26 -4.95 118.68 118.82 2rdx s LEU 1 Ca 0.00 0.37 0.04 0.00 -0.22 0.00 0.00 54.13 54.32 2rdx s LEU 1 Cb 0.00 1.03 -0.01 0.00 0.50 0.00 0.00 46.19 47.71 2rdx s LEU 1 CO 0.00 -0.22 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.55 2rdx s ARG 2 N -0.38 1.28 -0.06 1.98 0.52 -1.26 -3.78 118.95 117.25 2rdx s ARG 2 Ca -0.05 -0.49 -0.30 0.00 -0.52 0.00 0.00 55.73 54.38 2rdx s ARG 2 Cb -0.03 -1.18 -0.05 0.00 0.52 0.00 0.00 34.95 34.21 2rdx s ARG 2 CO 0.01 0.24 1.50 0.42 0.02 0.00 0.00 175.30 177.50 2rdx s ILE 3 N -0.10 3.75 -0.03 1.52 1.01 0.60 -1.69 121.20 126.26 2rdx s ILE 3 Ca 0.01 0.98 0.13 0.00 0.00 0.00 0.00 60.65 61.78 2rdx s ILE 3 Cb -0.08 -3.63 -0.20 0.00 0.01 0.00 0.00 42.46 38.55 2rdx s ILE 3 CO 0.00 -0.06 0.27 0.35 0.00 0.00 0.00 174.94 175.50 2rdx n THR 4 N 5.22 0.06 -3.68 2.92 -2.24 -0.23 0.78 114.28 117.10 2rdx n THR 4 Ca 0.15 -0.32 -0.12 0.00 -2.27 0.00 0.00 64.05 61.49 2rdx n THR 4 Cb 0.43 0.14 -0.09 0.00 -2.10 0.00 0.00 70.33 68.71 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 -2.88 0.61 -0.08 -0.78 3.52 -1.09 -0.70 118.95 117.56 2rdx s ARG 5 Ca -0.05 0.81 0.02 0.00 -0.13 0.00 0.00 55.73 56.38 2rdx s ARG 5 Cb 0.08 0.24 0.01 0.00 -1.56 0.00 0.00 34.95 33.73 2rdx s ARG 5 CO 0.55 -0.10 -0.12 0.42 -0.81 0.00 0.00 175.30 175.24 2rdx s ILE 6 N 0.60 1.19 0.12 4.11 1.01 0.83 -0.51 121.20 128.55 2rdx s ILE 6 Ca -0.02 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 60.22 2rdx s ILE 6 Cb -0.05 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 2rdx s ILE 6 CO -0.03 0.37 -0.20 -0.13 0.00 0.00 0.00 174.94 174.95 2rdx s ARG 7 N 0.80 1.17 -0.17 2.79 0.52 -0.39 -0.24 118.95 123.42 2rdx s ARG 7 Ca -0.12 -1.25 0.00 0.00 -0.52 0.00 0.00 55.73 53.85 2rdx s ARG 7 Cb -0.15 -1.34 0.03 0.00 0.52 0.00 0.00 34.95 34.01 2rdx s ARG 7 CO 0.02 0.29 -0.12 -1.17 0.02 0.00 0.00 175.30 174.35 2rdx s LEU 8 N -2.20 1.90 0.09 2.53 2.96 0.03 -1.58 118.68 122.40 2rdx s LEU 8 Ca 0.10 -0.64 0.05 0.00 -0.22 0.00 0.00 54.13 53.41 2rdx s LEU 8 Cb -0.08 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.39 2rdx s LEU 8 CO 0.05 -0.10 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.66 2rdx s TYR 9 N 1.47 2.97 -0.03 5.38 2.02 0.83 0.68 117.35 130.66 2rdx s TYR 9 Ca 0.02 -0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.69 2rdx s TYR 9 Cb -0.14 -1.53 0.03 0.00 -0.40 0.00 0.00 41.96 39.91 2rdx s TYR 9 CO -0.10 0.47 0.00 0.15 -1.57 0.00 0.00 175.55 174.51 2rdx s LYS 10 N -2.26 0.31 0.10 -0.62 1.02 -1.26 -0.78 119.74 116.25 2rdx s LYS 10 Ca 0.25 0.10 -0.08 0.00 0.02 0.00 0.00 55.97 56.26 2rdx s LYS 10 Cb -0.12 -0.53 -0.01 0.00 -0.52 0.00 0.00 37.83 36.65 2rdx s LYS 10 CO 0.17 -0.16 0.18 -0.08 -0.92 0.00 0.00 175.35 174.54 2rdx s THR 11 N 1.18 0.14 -0.18 2.17 -1.32 -1.11 -4.83 115.64 111.69 2rdx s THR 11 Ca -0.08 -1.30 -0.09 0.00 -1.21 0.00 0.00 61.69 59.01 2rdx s THR 11 Cb -0.13 -1.46 -0.05 0.00 -1.51 0.00 0.00 72.50 69.35 2rdx s THR 11 CO -0.02 -0.62 0.13 -1.81 -2.21 0.00 0.00 174.62 170.09 2rdx s ASP 12 N -2.89 6.25 -0.49 8.08 1.01 -1.26 -0.13 116.67 127.24 2rdx s ASP 12 Ca 0.08 0.30 0.02 0.00 0.71 0.00 0.00 52.55 53.66 2rdx s ASP 12 Cb 0.05 -2.08 0.13 0.00 1.01 0.00 0.00 42.92 42.03 2rdx s ASP 12 CO -0.09 0.25 0.24 -0.76 0.21 0.00 0.00 175.17 175.03 2rdx s LEU 13 N -0.06 4.72 0.16 1.23 1.43 -0.33 -4.77 118.68 121.05 2rdx s LEU 13 Ca 0.10 -2.68 -0.30 0.00 -1.03 0.00 0.00 54.13 50.22 2rdx s LEU 13 Cb -0.11 -1.70 -0.08 0.00 0.03 0.00 0.00 46.19 44.32 2rdx s LEU 13 CO -0.00 -0.33 1.28 -2.84 0.23 0.00 0.00 176.35 174.69 2rdx s PRO 14 N 0.19 4.41 0.33 1.29 0.02 -1.26 -2.55 135.00 137.43 2rdx s PRO 14 Ca 0.15 1.96 -0.29 0.00 0.02 0.00 0.00 61.00 62.84 2rdx s PRO 14 Cb -0.23 -3.24 -0.10 0.00 0.02 0.00 0.00 34.50 30.95 2rdx s PRO 14 CO -0.03 -0.24 1.38 -0.47 -0.33 0.00 0.00 177.00 177.30 2rdx s TYR 15 N 0.42 2.92 0.33 6.54 5.04 -1.02 -0.94 117.35 130.64 2rdx s TYR 15 Ca 0.57 1.29 0.03 0.00 -2.44 0.00 0.00 57.07 56.52 2rdx s TYR 15 Cb -0.34 -3.79 0.58 0.00 0.35 0.00 0.00 41.96 38.75 2rdx s TYR 15 CO 0.35 -2.28 1.89 -0.39 -1.34 0.00 0.00 175.55 173.78 2rdx h VAL 16 N 3.09 1.19 -0.90 3.14 -1.51 -1.68 -3.19 116.25 116.40 2rdx h VAL 16 Ca -0.49 -0.68 -0.53 0.00 -1.23 0.00 0.00 66.70 63.77 2rdx h VAL 16 Cb 1.23 0.75 -0.27 0.00 -2.13 0.00 0.00 31.29 30.87 2rdx h VAL 16 CO 0.67 0.25 0.68 0.47 -1.23 0.00 0.00 177.57 178.41 2rdx n ASP 17 N -4.31 5.44 0.00 4.19 8.00 -1.26 -4.98 116.55 123.62 2rdx n ASP 17 Ca 0.03 -3.54 0.00 0.00 0.71 0.00 0.00 54.79 51.99 2rdx n ASP 17 Cb 0.20 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 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 -0.83 1.78 3.48 0.44 0.00 -1.21 -4.75 105.19 104.09 2rdx n GLY 18 Ca 0.55 0.21 -0.28 0.00 0.00 0.00 0.00 46.02 46.50 2rdx n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rdx s SER 19 N -4.00 3.77 -0.30 1.61 0.15 -1.26 -4.69 113.70 108.98 2rdx s SER 19 Ca 0.00 -0.66 0.01 0.00 0.70 0.00 0.00 55.95 56.00 2rdx s SER 19 Cb 0.00 -0.47 0.09 0.00 -1.71 0.00 0.00 66.02 63.94 2rdx s SER 19 CO 0.00 0.15 0.06 -0.47 1.20 0.00 0.00 173.24 174.18 2rdx s TYR 20 N -1.35 2.41 -0.25 3.44 6.14 -1.24 -4.93 117.35 121.57 2rdx s TYR 20 Ca 0.19 -2.09 -0.25 0.00 0.64 0.00 0.00 57.07 55.57 2rdx s TYR 20 Cb -0.10 -2.03 -0.00 0.00 0.42 0.00 0.00 41.96 40.25 2rdx s TYR 20 CO 0.10 -0.87 0.83 0.20 0.64 0.00 0.00 175.55 176.45 2rdx s GLY 21 N 1.38 1.75 0.02 8.97 0.00 -1.26 -3.45 107.32 114.72 2rdx s GLY 21 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.63 2rdx s GLY 21 CO -0.16 1.81 -0.03 0.66 0.00 0.00 0.00 173.10 175.38 2rdx s TRP 22 N 2.88 0.26 0.00 1.90 1.48 -0.95 -2.89 118.94 121.61 2rdx s TRP 22 Ca 0.35 -0.50 0.00 0.00 -1.06 0.00 0.00 56.10 54.89 2rdx s TRP 22 Cb -0.15 -0.19 0.00 0.00 -1.16 0.00 0.00 33.47 31.97 2rdx s TRP 22 CO 0.08 -0.18 0.00 0.41 -4.06 0.00 0.00 176.95 173.20 2rdx n GLY 23 N 1.67 0.27 0.20 3.67 0.00 -1.25 -1.70 105.19 108.05 2rdx n GLY 23 Ca -0.23 -0.94 0.02 0.00 0.00 0.00 0.00 46.02 44.87 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 6.22 2.49 0.00 4.61 0.00 -1.25 -1.98 120.51 130.61 2rdx n ALA 24 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2rdx n ALA 24 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.69 -0.78 3.86 0.00 0.00 -1.24 -4.72 105.19 103.01 2rdx n GLY 25 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 6.31 -0.03 1.61 0.01 -0.69 -4.94 114.94 117.21 2rdx s ASN 26 Ca 0.00 1.45 -0.19 0.00 -0.71 0.00 0.00 52.86 53.41 2rdx s ASN 26 Cb 0.00 -2.48 0.04 0.00 0.41 0.00 0.00 41.25 39.22 2rdx s ASN 26 CO 0.00 -0.81 0.41 0.00 -1.51 0.00 0.00 177.10 175.18 2rdx s ALA 27 N -3.07 -1.05 -0.07 0.60 0.00 -1.26 -2.23 121.76 114.68 2rdx s ALA 27 Ca 0.56 0.61 0.01 0.00 0.00 0.00 0.00 51.96 53.14 2rdx s ALA 27 Cb -0.11 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.07 2rdx s ALA 27 CO 0.50 -0.29 -0.09 0.96 0.00 0.00 0.00 175.76 176.84 2rdx s ILE 28 N -1.25 0.91 -0.19 0.00 -4.36 -1.22 -4.96 121.20 110.12 2rdx s ILE 28 Ca -0.13 -0.32 0.10 0.00 -0.26 0.00 0.00 60.65 60.04 2rdx s ILE 28 Cb -0.04 -0.88 -0.19 0.00 1.25 0.00 0.00 42.46 42.61 2rdx s ILE 28 CO 0.06 0.31 -0.04 0.35 0.24 0.00 0.00 174.94 175.86 2rdx n THR 29 N 4.07 1.24 -3.75 8.37 -2.24 -1.26 -3.64 114.28 117.07 2rdx n THR 29 Ca -0.22 -0.65 -0.28 0.00 -2.27 0.00 0.00 64.05 60.63 2rdx n THR 29 Cb 0.51 -0.82 -0.16 0.00 -2.10 0.00 0.00 70.33 67.76 2rdx n THR 29 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2rdx s VAL 30 N -2.44 0.63 0.23 2.28 -7.23 -1.26 -2.44 120.40 110.17 2rdx s VAL 30 Ca -0.17 -0.70 -0.30 0.00 -1.81 0.00 0.00 61.98 59.00 2rdx s VAL 30 Cb 0.06 -1.16 -0.09 0.00 0.56 0.00 0.00 36.38 35.76 2rdx s VAL 30 CO 0.64 -0.26 0.95 0.00 -0.31 0.00 0.00 175.10 176.13 2rdx s ALA 31 N 1.80 3.34 -0.45 1.32 0.00 -1.06 -4.86 121.76 121.85 2rdx s ALA 31 Ca -0.00 0.63 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 2rdx s ALA 31 Cb -0.17 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.76 2rdx s ALA 31 CO -0.10 0.18 0.51 0.50 0.00 0.00 0.00 175.76 176.85 2rdx s ARG 32 N -1.11 3.12 0.35 0.00 3.00 -1.26 -1.19 118.95 121.87 2rdx s ARG 32 Ca 0.42 -0.76 -0.19 0.00 -1.00 0.00 0.00 55.73 54.19 2rdx s ARG 32 Cb -0.26 -4.00 -0.10 0.00 0.00 0.00 0.00 34.95 30.59 2rdx s ARG 32 CO 0.32 -0.97 0.84 0.00 0.00 0.00 0.00 175.30 175.49 2rdx s ALA 33 N 2.33 3.21 -0.11 6.12 0.00 0.82 -4.32 121.76 129.81 2rdx s ALA 33 Ca 0.14 0.25 -0.00 0.00 0.00 0.00 0.00 51.96 52.34 2rdx s ALA 33 Cb -0.17 -2.97 0.02 0.00 0.00 0.00 0.00 23.12 20.00 2rdx s ALA 33 CO 0.14 0.24 -0.08 -1.12 0.00 0.00 0.00 175.76 174.94 2rdx s SER 34 N -2.10 2.18 -0.15 0.00 0.01 -0.51 -2.73 113.70 110.40 2rdx s SER 34 Ca 0.56 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 57.52 2rdx s SER 34 Cb -0.11 -0.84 0.00 0.00 0.21 0.00 0.00 66.02 65.27 2rdx s SER 34 CO 0.17 -0.12 -0.17 -0.69 0.41 0.00 0.00 173.24 172.85 2rdx s VAL 35 N 1.69 2.55 -0.20 3.43 1.01 0.04 -1.38 120.40 127.53 2rdx s VAL 35 Ca 0.05 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 2rdx s VAL 35 Cb -0.13 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2rdx s VAL 35 CO -0.08 0.52 0.07 -0.69 0.00 0.00 0.00 175.10 174.92 2rdx s VAL 36 N 0.82 4.69 -0.18 2.92 1.01 0.27 -0.12 120.40 129.82 2rdx s VAL 36 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2rdx s VAL 36 Cb -0.15 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.10 2rdx s VAL 36 CO -0.00 0.43 -0.17 -0.69 0.00 0.00 0.00 175.10 174.67 2rdx s VAL 37 N 0.67 2.40 -0.25 2.92 1.01 -0.62 -1.51 120.40 125.03 2rdx s VAL 37 Ca 0.03 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 2rdx s VAL 37 Cb -0.13 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.25 2rdx s VAL 37 CO 0.02 0.52 -0.06 -0.63 0.00 0.00 0.00 175.10 174.94 2rdx s ILE 38 N 1.15 2.90 0.05 2.22 1.01 0.11 -1.26 121.20 127.37 2rdx s ILE 38 Ca 0.01 -0.99 -0.03 0.00 0.00 0.00 0.00 60.65 59.64 2rdx s ILE 38 Cb -0.14 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 2rdx s ILE 38 CO -0.07 0.22 0.25 -1.81 0.00 0.00 0.00 174.94 173.53 2rdx s ASP 39 N 1.34 6.42 0.39 3.58 1.01 0.34 -1.42 116.67 128.32 2rdx s ASP 39 Ca 0.01 0.42 0.06 0.00 0.71 0.00 0.00 52.55 53.75 2rdx s ASP 39 Cb -0.16 -2.03 -0.08 0.00 1.01 0.00 0.00 42.92 41.66 2rdx s ASP 39 CO -0.04 0.19 0.02 0.42 0.21 0.00 0.00 175.17 175.96 2rdx s THR 40 N -1.45 1.81 -0.24 -1.27 -4.23 -0.98 -1.07 115.64 108.22 2rdx s THR 40 Ca 0.33 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.12 2rdx s THR 40 Cb -0.13 -2.95 0.34 0.00 1.34 0.00 0.00 72.50 71.10 2rdx s THR 40 CO 0.22 -0.00 1.82 -2.24 -0.54 0.00 0.00 174.62 173.88 2rdx h ASP 41 N 1.86 0.00 -0.18 3.99 2.03 -1.66 -2.65 116.42 119.80 2rdx h ASP 41 Ca -0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 2rdx h ASP 41 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 2rdx h ASP 41 CO 0.78 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.99 2rdx n ALA 42 N -1.98 2.49 -1.05 4.15 0.00 -1.26 -4.95 120.51 117.91 2rdx n ALA 42 Ca 0.02 -0.65 -0.02 0.00 0.00 0.00 0.00 53.44 52.79 2rdx n ALA 42 Cb 0.35 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 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 1.26 0.53 3.70 0.00 0.00 -1.00 -5.03 105.19 104.65 2rdx n GLY 43 Ca 0.17 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.39 4.27 -0.11 0.99 1.43 -1.26 -4.90 118.68 118.71 2rdx s LEU 44 Ca 0.00 1.26 0.01 0.00 -1.03 0.00 0.00 54.13 54.37 2rdx s LEU 44 Cb 0.00 -3.21 -0.01 0.00 0.03 0.00 0.00 46.19 42.99 2rdx s LEU 44 CO 0.00 -0.24 -0.15 -1.58 0.23 0.00 0.00 176.35 174.61 2rdx s GLN 45 N 1.32 3.17 0.11 1.70 0.74 -1.26 -2.31 119.66 123.13 2rdx s GLN 45 Ca 0.40 -0.73 0.10 0.00 0.05 0.00 0.00 55.36 55.19 2rdx s GLN 45 Cb -0.18 -2.52 -0.04 0.00 1.10 0.00 0.00 33.01 31.37 2rdx s GLN 45 CO 0.18 0.28 -0.26 0.20 -0.55 0.00 0.00 175.29 175.13 2rdx s GLY 46 N 0.17 1.51 0.08 2.59 0.00 -0.51 -4.70 107.32 106.45 2rdx s GLY 46 Ca -0.09 -1.41 0.03 0.00 0.00 0.00 0.00 44.72 43.25 2rdx s GLY 46 CO 0.05 -1.38 -0.08 0.00 0.00 0.00 0.00 173.10 171.69 2rdx s GLY 48 N -2.28 -0.34 -0.02 0.00 0.00 -0.57 -3.58 107.32 100.53 2rdx s GLY 48 Ca 0.01 0.23 -0.01 0.00 0.00 0.00 0.00 44.72 44.95 2rdx s GLY 48 CO -0.01 -0.05 0.05 1.85 0.00 0.00 0.00 173.10 174.94 2rdx s GLU 49 N -3.19 0.00 -0.14 2.90 2.12 -1.26 -0.56 118.70 118.56 2rdx s GLU 49 Ca -0.01 0.17 0.01 0.00 0.36 0.00 0.00 54.97 55.50 2rdx s GLU 49 Cb 0.00 -0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.24 2rdx s GLU 49 CO -0.08 -0.12 -0.18 0.12 -0.54 0.00 0.00 175.26 174.47 2rdx s PHE 50 N 0.77 2.73 -0.08 5.30 5.36 -0.48 -4.51 117.98 127.07 2rdx s PHE 50 Ca -0.06 -1.11 -0.01 0.00 -0.96 0.00 0.00 56.93 54.79 2rdx s PHE 50 Cb -0.09 -1.85 0.03 0.00 -0.34 0.00 0.00 43.02 40.77 2rdx s PHE 50 CO -0.03 -0.50 -0.03 0.99 -1.46 0.00 0.00 175.22 174.20 2rdx s THR 51 N 0.75 0.62 0.61 0.12 2.01 -1.26 -1.42 115.64 117.07 2rdx s THR 51 Ca -0.07 -0.04 -0.13 0.00 0.31 0.00 0.00 61.69 61.76 2rdx s THR 51 Cb -0.16 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 2rdx s THR 51 CO 0.00 0.29 1.03 -2.16 -0.69 0.00 0.00 174.62 173.10 2rdx s PRO 52 N 1.78 3.47 -0.97 4.92 0.04 -1.26 -2.98 135.00 140.00 2rdx s PRO 52 Ca 0.03 0.89 -0.00 0.00 0.04 0.00 0.00 61.00 61.96 2rdx s PRO 52 Cb -0.13 -2.06 0.32 0.00 0.04 0.00 0.00 34.50 32.67 2rdx s PRO 52 CO -0.06 -0.67 1.66 0.00 0.04 0.00 0.00 177.00 177.98 2rdx n GLY 54 N 0.06 2.60 0.14 0.00 0.00 -1.26 -4.75 105.19 101.97 2rdx n GLY 54 Ca 0.43 -1.45 0.13 0.00 0.00 0.00 0.00 46.02 45.13 2rdx n GLY 54 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2rdx h GLU 55 N 0.00 0.00 -0.16 1.61 4.39 -1.91 -3.08 114.58 115.43 2rdx h GLU 55 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2rdx h GLU 55 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2rdx h GLU 55 CO 0.00 0.00 0.00 0.27 -1.16 0.00 0.00 179.01 178.12 2rdx n ASN 56 N -2.34 2.74 -0.04 1.42 6.94 -1.26 -4.51 115.26 118.21 2rdx n ASN 56 Ca 0.03 -2.39 -0.13 0.00 -0.02 0.00 0.00 54.58 52.07 2rdx n ASN 56 Cb 0.31 -0.26 -0.08 0.00 -2.36 0.00 0.00 39.78 37.39 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 1.02 0.24 -4.69 -2.53 3.20 -1.82 -3.47 116.97 108.91 2rdx h TYR 57 Ca 0.00 -0.07 -0.41 0.00 3.14 0.00 0.00 58.73 61.39 2rdx h TYR 57 Cb 0.85 -0.05 -0.14 0.00 1.54 0.00 0.00 36.73 38.94 2rdx h TYR 57 CO 0.17 0.63 -0.53 0.00 -1.64 0.00 0.00 178.16 176.80 2rdx s MET 58 N -4.29 1.60 -1.19 1.82 0.23 -1.26 -5.03 119.30 111.18 2rdx s MET 58 Ca -0.15 -1.91 -0.22 0.00 -1.03 0.00 0.00 55.69 52.38 2rdx s MET 58 Cb 0.04 0.25 -0.04 0.00 -1.53 0.00 0.00 34.83 33.55 2rdx s MET 58 CO 0.72 -0.56 1.87 0.42 -2.03 0.00 0.00 175.02 175.44 2rdx s ILE 59 N -3.64 3.70 0.00 3.16 1.01 -1.26 -4.71 121.20 119.46 2rdx s ILE 59 Ca 0.39 -1.13 0.00 0.00 0.00 0.00 0.00 60.65 59.91 2rdx s ILE 59 Cb 0.04 -4.71 0.00 0.00 0.01 0.00 0.00 42.46 37.80 2rdx s ILE 59 CO 0.22 -1.28 0.00 0.00 0.00 0.00 0.00 174.94 173.88 2rdx n ALA 60 N 12.67 0.00 -2.65 9.38 0.00 -1.26 -4.84 120.51 133.81 2rdx n ALA 60 Ca 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.79 2rdx n ALA 60 Cb 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 2rdx n ALA 60 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2rdx s HIS 61 N -0.14 0.58 0.22 0.00 -3.43 -1.26 -4.59 115.29 106.67 2rdx s HIS 61 Ca 0.00 -0.92 0.18 0.00 -0.80 0.00 0.00 55.06 53.52 2rdx s HIS 61 Cb 0.00 -0.15 0.74 0.00 -1.43 0.00 0.00 32.58 31.74 2rdx s HIS 61 CO 0.00 -0.74 1.77 0.66 -2.00 0.00 0.00 174.74 174.43 2rdx h SER 62 N 2.53 0.00 1.81 7.38 4.64 -1.91 -3.12 113.55 124.88 2rdx h SER 62 Ca -0.32 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.98 2rdx h SER 62 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2rdx h SER 62 CO 0.48 0.37 -0.19 -0.33 -0.87 0.00 0.00 176.83 176.28 2rdx h GLU 63 N 0.00 0.00 0.00 4.77 4.39 -1.97 -3.25 114.58 118.51 2rdx h GLU 63 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2rdx h GLU 63 Cb 0.83 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 2rdx h GLU 63 CO 0.05 0.12 -0.21 0.78 -1.16 0.00 0.00 179.01 178.59 2rdx h GLY 64 N 3.88 0.00 0.99 -3.84 0.00 -1.98 -2.70 103.07 99.41 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 0.26 -2.08 0.00 0.00 0.00 176.54 174.74 2rdx h VAL 65 N 0.00 1.21 -0.70 4.60 2.07 -1.72 -1.36 116.25 120.36 2rdx h VAL 65 Ca -0.00 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 2rdx h VAL 65 Cb 0.69 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2rdx h VAL 65 CO 0.03 0.25 0.30 0.44 0.02 0.00 0.00 177.57 178.60 2rdx h ASP 66 N 0.78 0.95 -0.26 0.57 3.45 -1.67 -2.31 116.42 117.94 2rdx h ASP 66 Ca 0.20 -0.16 -0.04 0.00 0.43 0.00 0.00 57.03 57.46 2rdx h ASP 66 Cb 0.15 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 2rdx h ASP 66 CO -0.02 0.85 0.02 0.00 -1.57 0.00 0.00 179.24 178.52 2rdx h ALA 67 N 1.14 0.35 -0.43 3.45 0.00 -1.24 -2.30 119.26 120.22 2rdx h ALA 67 Ca 0.24 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2rdx h ALA 67 Cb 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2rdx h ALA 67 CO -0.02 0.05 0.04 0.35 0.00 0.00 0.00 179.25 179.67 2rdx h PHE 68 N 0.24 0.78 -0.47 0.00 3.57 -1.29 -3.15 116.94 116.61 2rdx h PHE 68 Ca 0.08 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 2rdx h PHE 68 Cb 0.37 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2rdx h PHE 68 CO 0.03 0.76 0.25 0.00 -2.23 0.00 0.00 178.31 177.11 2rdx h ALA 69 N 0.92 1.54 -0.15 2.41 0.00 -1.33 0.21 119.26 122.86 2rdx h ALA 69 Ca 0.13 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2rdx h ALA 69 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2rdx h ALA 69 CO 0.01 0.38 -0.24 0.00 0.00 0.00 0.00 179.25 179.41 2rdx h ARG 70 N 0.66 0.27 0.15 0.00 3.08 -1.39 -0.89 114.38 116.26 2rdx h ARG 70 Ca 0.17 -0.09 -0.30 0.00 0.07 0.00 0.00 59.98 59.83 2rdx h ARG 70 Cb 0.04 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.07 2rdx h ARG 70 CO -0.03 0.50 -1.46 1.25 -1.07 0.00 0.00 179.97 179.17 2rdx h LEU 71 N 0.25 0.51 0.10 3.04 6.46 -1.27 -3.43 115.31 120.98 2rdx h LEU 71 Ca 0.04 -0.90 -0.36 0.00 -0.12 0.00 0.00 57.88 56.54 2rdx h LEU 71 Cb 0.56 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 2rdx h LEU 71 CO 0.04 1.66 -2.00 0.00 -0.62 0.00 0.00 178.44 177.52 2rdx n ALA 72 N -2.88 0.93 -0.20 1.25 0.00 0.63 -4.52 120.51 115.73 2rdx n ALA 72 Ca -0.23 -0.63 0.01 0.00 0.00 0.00 0.00 53.44 52.59 2rdx n ALA 72 Cb 0.97 -0.61 0.11 0.00 0.00 0.00 0.00 19.45 19.91 2rdx n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rdx h ALA 73 N 0.01 0.65 0.00 0.00 0.00 -1.35 0.51 119.26 119.08 2rdx h ALA 73 Ca -0.44 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2rdx h ALA 73 Cb 1.97 0.28 0.00 0.00 0.00 0.00 0.00 17.79 20.04 2rdx h ALA 73 CO 0.05 -0.37 0.00 -1.00 0.00 0.00 0.00 179.25 177.93 2rdx h PRO 74 N 0.16 0.00 -0.00 0.00 0.13 -1.79 -1.78 132.00 128.72 2rdx h PRO 74 Ca 0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 2rdx h PRO 74 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2rdx h PRO 74 CO -0.49 0.00 -0.51 1.04 -0.23 0.00 0.00 178.00 177.81 2rdx n GLN 75 N -2.37 0.04 -0.00 0.86 1.13 0.14 -4.16 117.38 113.02 2rdx n GLN 75 Ca -0.00 -0.02 0.09 0.00 -1.94 0.00 0.00 57.00 55.12 2rdx n GLN 75 Cb 0.11 -1.50 -0.11 0.00 0.11 0.00 0.00 30.24 28.84 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 -1.46 0.82 -4.75 1.08 4.77 -0.68 -4.92 117.00 111.86 2rdx n LEU 76 Ca 0.06 -0.45 -0.41 0.00 -0.03 0.00 0.00 56.01 55.18 2rdx n LEU 76 Cb 0.34 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 2rdx n LEU 76 CO 0.35 0.20 0.94 -0.76 -1.33 0.00 0.00 177.39 176.80 2rdx s LEU 77 N -3.08 4.45 0.00 2.23 1.43 -1.17 -2.84 118.68 119.71 2rdx s LEU 77 Ca 0.06 2.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 2rdx s LEU 77 Cb 0.14 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.74 2rdx s LEU 77 CO 0.80 -0.45 0.00 0.61 0.23 0.00 0.00 176.35 177.54 2rdx n GLY 78 N 1.52 0.77 3.96 -3.19 0.00 0.23 -4.92 105.19 103.56 2rdx n GLY 78 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.26 3.44 -0.48 1.61 2.00 -1.13 -4.57 119.66 120.28 2rdx s GLN 79 Ca 0.00 -0.70 -0.23 0.00 -2.00 0.00 0.00 55.36 52.43 2rdx s GLN 79 Cb 0.00 -2.91 0.03 0.00 0.80 0.00 0.00 33.01 30.93 2rdx s GLN 79 CO 0.00 0.46 0.79 0.34 -0.50 0.00 0.00 175.29 176.37 2rdx s ASP 80 N -3.73 6.37 0.24 6.67 2.15 -1.25 -0.29 116.67 126.82 2rdx s ASP 80 Ca 0.34 -0.27 0.25 0.00 0.43 0.00 0.00 52.55 53.30 2rdx s ASP 80 Cb -0.10 -2.38 0.87 0.00 -0.30 0.00 0.00 42.92 41.02 2rdx s ASP 80 CO 0.29 -0.96 1.76 -0.81 -0.17 0.00 0.00 175.17 175.27 2rdx n PRO 81 N 6.77 0.25 0.21 4.34 -0.04 -1.26 -3.07 135.00 142.19 2rdx n PRO 81 Ca 0.01 0.30 0.09 0.00 -0.04 0.00 0.00 63.50 63.85 2rdx n PRO 81 Cb 0.48 -1.84 0.38 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.00 0.00 -5.28 0.54 3.08 -1.92 -3.37 114.38 107.43 2rdx h ARG 82 Ca 0.00 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.36 2rdx h ARG 82 Cb 0.61 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.52 2rdx h ARG 82 CO 0.00 0.26 1.39 -0.65 -1.07 0.00 0.00 179.97 179.90 2rdx s GLN 83 N -3.52 3.84 0.27 0.04 -0.21 -1.18 -4.82 119.66 114.08 2rdx s GLN 83 Ca 0.01 -1.98 -0.03 0.00 0.02 0.00 0.00 55.36 53.39 2rdx s GLN 83 Cb 0.09 -5.16 0.35 0.00 1.00 0.00 0.00 33.01 29.29 2rdx s GLN 83 CO 0.65 -1.94 1.82 -0.39 -2.12 0.00 0.00 175.29 173.32 2rdx h VAL 84 N 5.55 1.23 -0.03 1.09 -1.51 -1.87 -1.83 116.25 118.88 2rdx h VAL 84 Ca 0.28 -0.80 -0.17 0.00 -1.23 0.00 0.00 66.70 64.77 2rdx h VAL 84 Cb 0.94 0.56 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 2rdx h VAL 84 CO 1.28 0.31 -0.76 0.00 -1.23 0.00 0.00 177.57 177.17 2rdx h ALA 85 N 1.31 0.67 -0.52 5.19 0.00 -1.95 -0.17 119.26 123.79 2rdx h ALA 85 Ca 0.20 -0.65 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 2rdx h ALA 85 Cb 0.26 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2rdx h ALA 85 CO -0.01 0.84 -0.15 -0.09 0.00 0.00 0.00 179.25 179.84 2rdx h ARG 86 N 0.13 1.02 -0.27 0.00 2.43 -1.89 -0.36 114.38 115.44 2rdx h ARG 86 Ca -0.03 -0.40 -0.10 0.00 -0.81 0.00 0.00 59.98 58.64 2rdx h ARG 86 Cb 1.33 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 2rdx h ARG 86 CO 0.12 1.08 -0.26 0.52 -1.51 0.00 0.00 179.97 179.92 2rdx h MET 87 N 0.88 0.53 -0.21 0.20 2.86 -1.24 -0.27 114.93 117.69 2rdx h MET 87 Ca 0.13 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 2rdx h MET 87 Cb 0.72 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 2rdx h MET 87 CO 0.06 0.74 0.03 1.49 1.06 0.00 0.00 176.91 180.29 2rdx h GLU 88 N 0.46 0.35 -0.07 1.72 4.81 -0.83 -1.31 114.58 119.72 2rdx h GLU 88 Ca 0.07 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 2rdx h GLU 88 Cb 0.70 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 2rdx h GLU 88 CO 0.05 0.51 -0.44 0.00 -0.73 0.00 0.00 179.01 178.40 2rdx h ARG 89 N 0.15 0.15 -0.01 1.92 3.08 -0.98 -1.95 114.38 116.74 2rdx h ARG 89 Ca 0.06 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2rdx h ARG 89 Cb 0.33 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 2rdx h ARG 89 CO 0.00 0.56 -0.01 1.25 -1.07 0.00 0.00 179.97 180.71 2rdx h LEU 90 N 0.12 0.01 -0.32 3.04 5.85 -0.99 -1.79 115.31 121.24 2rdx h LEU 90 Ca 0.01 -0.49 0.06 0.00 0.84 0.00 0.00 57.88 58.30 2rdx h LEU 90 Cb 0.83 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 2rdx h LEU 90 CO 0.06 0.50 -0.02 0.24 -0.34 0.00 0.00 178.44 178.88 2rdx h MET 91 N -0.47 0.07 0.00 1.25 2.86 -1.20 -0.80 114.93 116.63 2rdx h MET 91 Ca 0.00 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2rdx h MET 91 Cb 0.49 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2rdx h MET 91 CO 0.00 0.05 -0.19 -0.44 1.06 0.00 0.00 176.91 177.39 2rdx h ASP 92 N 0.07 0.00 0.15 1.22 3.32 -1.42 -1.79 116.42 117.98 2rdx h ASP 92 Ca 0.16 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.02 2rdx h ASP 92 Cb 0.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 2rdx h ASP 92 CO -0.28 0.19 -0.70 -0.74 -1.72 0.00 0.00 179.24 175.99 2rdx h HIS 93 N 0.00 0.65 0.05 4.55 -0.00 -0.45 -3.33 115.15 116.63 2rdx h HIS 93 Ca -0.00 -0.28 -0.00 0.00 -0.00 0.00 0.00 60.37 60.09 2rdx h HIS 93 Cb 0.38 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.68 2rdx h HIS 93 CO 0.00 1.04 -0.03 -0.07 -0.00 0.00 0.00 177.93 178.87 2rdx h LEU 94 N 0.34 -0.06 -7.88 0.26 3.38 -0.49 -3.45 115.31 107.41 2rdx h LEU 94 Ca -0.03 -0.32 -0.26 0.00 0.09 0.00 0.00 57.88 57.37 2rdx h LEU 94 Cb 1.27 0.02 -0.26 0.00 0.09 0.00 0.00 40.66 41.78 2rdx h LEU 94 CO 0.13 0.29 -0.73 0.54 0.09 0.00 0.00 178.44 178.76 2rdx s VAL 95 N -4.76 0.22 0.23 1.22 0.11 -0.74 -5.09 120.40 111.59 2rdx s VAL 95 Ca -0.15 -0.36 -0.17 0.00 -2.93 0.00 0.00 61.98 58.37 2rdx s VAL 95 Cb 0.03 -0.24 -0.08 0.00 -1.53 0.00 0.00 36.38 34.56 2rdx s VAL 95 CO 0.65 -0.09 0.68 -1.10 -3.33 0.00 0.00 175.10 171.90 2rdx s GLN 96 N -0.48 4.12 3.53 1.54 -0.21 -1.26 -4.21 119.66 122.70 2rdx s GLN 96 Ca -0.03 0.72 0.00 0.00 0.02 0.00 0.00 55.36 56.07 2rdx s GLN 96 Cb -0.04 -2.79 0.00 0.00 1.00 0.00 0.00 33.01 31.18 2rdx s GLN 96 CO -0.00 0.36 0.00 0.41 -2.12 0.00 0.00 175.29 173.94 2rdx n GLY 97 N 0.48 0.69 3.61 3.09 0.00 -1.26 -4.95 105.19 106.85 2rdx n GLY 97 Ca -0.02 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 -2.82 -0.00 1.61 8.25 -1.26 -4.91 115.22 116.09 2rdx n HIS 98 Ca 0.00 1.01 -0.01 0.00 -0.26 0.00 0.00 57.72 58.46 2rdx n HIS 98 Cb 0.00 -4.97 0.26 0.00 1.12 0.00 0.00 29.99 26.40 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 -2.63 0.57 1.18 -1.41 0.00 -1.89 -2.15 103.07 96.73 2rdx h GLY 99 Ca -0.57 -0.37 0.10 0.00 0.00 0.00 0.00 47.33 46.49 2rdx h GLY 99 CO 0.57 0.34 0.33 0.10 0.00 0.00 0.00 176.54 177.88 2rdx h TYR 100 N 0.50 0.24 0.00 5.60 -0.00 -1.85 0.27 116.97 121.73 2rdx h TYR 100 Ca 0.10 0.01 -0.19 0.00 0.00 0.00 0.00 58.73 58.65 2rdx h TYR 100 Cb 0.43 -0.08 -0.03 0.00 0.00 0.00 0.00 36.73 37.05 2rdx h TYR 100 CO 0.01 0.11 -1.05 0.00 -0.00 0.00 0.00 178.16 177.23 2rdx h ALA 101 N 1.76 0.57 0.00 0.10 0.00 -1.71 -3.26 119.26 116.70 2rdx h ALA 101 Ca 0.22 -0.87 -0.20 0.00 0.00 0.00 0.00 54.91 54.06 2rdx h ALA 101 Cb 0.58 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2rdx h ALA 101 CO -0.04 1.08 -0.95 0.87 0.00 0.00 0.00 179.25 180.21 2rdx h LYS 102 N 0.00 0.00 -0.61 0.00 1.57 -1.21 -3.38 116.57 112.95 2rdx h LYS 102 Ca -0.08 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.82 2rdx h LYS 102 Cb 1.67 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.89 2rdx h LYS 102 CO 0.09 0.95 0.09 0.00 -0.57 0.00 0.00 179.45 180.01 2rdx h ALA 103 N 1.05 0.69 -0.47 3.86 0.00 -1.02 -1.32 119.26 122.05 2rdx h ALA 103 Ca -0.01 0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.12 2rdx h ALA 103 Cb 1.69 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 19.65 2rdx h ALA 103 CO 0.12 -0.34 0.12 -1.35 0.00 0.00 0.00 179.25 177.81 2rdx h PRO 104 N 0.21 0.26 -0.40 0.00 0.11 -1.76 -1.71 132.00 128.72 2rdx h PRO 104 Ca 0.32 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.40 2rdx h PRO 104 Cb 0.50 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 2rdx h PRO 104 CO -0.44 0.17 0.19 0.74 -0.21 0.00 0.00 178.00 178.45 2rdx h PHE 105 N 0.27 0.58 -0.90 0.65 0.04 -1.65 -2.78 116.94 113.15 2rdx h PHE 105 Ca 0.23 -0.03 0.05 0.00 2.80 0.00 0.00 57.97 61.02 2rdx h PHE 105 Cb 0.28 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.19 2rdx h PHE 105 CO -0.19 0.48 0.58 0.22 -0.60 0.00 0.00 178.31 178.80 2rdx h ASP 106 N 0.51 0.95 -0.43 2.17 3.58 -0.91 -2.07 116.42 120.21 2rdx h ASP 106 Ca 0.14 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.52 2rdx h ASP 106 Cb 0.12 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 2rdx h ASP 106 CO -0.02 0.63 0.05 0.00 -2.88 0.00 0.00 179.24 177.02 2rdx h ALA 107 N 1.39 1.15 -0.42 -0.78 0.00 -1.15 -2.52 119.26 116.94 2rdx h ALA 107 Ca 0.37 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2rdx h ALA 107 Cb 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2rdx h ALA 107 CO -0.14 0.56 -0.15 0.00 0.00 0.00 0.00 179.25 179.52 2rdx h ALA 108 N 1.29 0.95 -0.51 0.00 0.00 -1.12 -1.28 119.26 118.59 2rdx h ALA 108 Ca 0.16 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 2rdx h ALA 108 Cb 0.39 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2rdx h ALA 108 CO 0.01 0.61 -0.12 0.74 0.00 0.00 0.00 179.25 180.49 2rdx h PHE 109 N 0.70 1.11 -0.31 0.00 0.04 -1.24 -0.65 116.94 116.59 2rdx h PHE 109 Ca 0.11 -0.24 -0.05 0.00 2.80 0.00 0.00 57.97 60.59 2rdx h PHE 109 Cb 0.64 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 2rdx h PHE 109 CO 0.03 1.05 -0.02 -1.49 -0.60 0.00 0.00 178.31 177.28 2rdx h TRP 110 N 0.85 0.50 0.39 -0.55 4.06 -1.34 -0.69 115.95 119.18 2rdx h TRP 110 Ca 0.13 -0.05 -0.02 0.00 2.06 0.00 0.00 58.89 61.01 2rdx h TRP 110 Cb 0.69 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 28.71 2rdx h TRP 110 CO 0.05 0.51 -0.19 0.22 -3.56 0.00 0.00 178.44 175.47 2rdx h ASP 111 N 0.47 -0.45 -0.76 -3.49 3.58 -0.79 -1.77 116.42 113.21 2rdx h ASP 111 Ca 0.10 -0.10 0.09 0.00 0.42 0.00 0.00 57.03 57.54 2rdx h ASP 111 Cb 0.33 0.12 -0.07 0.00 1.72 0.00 0.00 39.33 41.43 2rdx h ASP 111 CO 0.01 -0.14 0.41 0.40 -2.88 0.00 0.00 179.24 177.04 2rdx h ILE 112 N -0.77 0.87 -0.44 2.25 2.04 -1.08 -1.27 117.51 119.12 2rdx h ILE 112 Ca -0.05 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2rdx h ILE 112 Cb 0.52 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2rdx h ILE 112 CO 0.09 0.12 0.28 0.25 0.00 0.00 0.00 178.15 178.90 2rdx h LEU 113 N 0.68 0.51 -0.65 1.44 5.85 -1.12 -1.50 115.31 120.53 2rdx h LEU 113 Ca 0.37 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.10 2rdx h LEU 113 Cb 0.37 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2rdx h LEU 113 CO -0.26 0.39 0.39 1.23 -0.34 0.00 0.00 178.44 179.84 2rdx h GLY 114 N 0.59 0.93 1.10 3.75 0.00 -0.67 -1.21 103.07 107.55 2rdx h GLY 114 Ca 0.16 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.09 2rdx h GLY 114 CO -0.03 0.23 -0.06 1.46 0.00 0.00 0.00 176.54 178.14 2rdx h GLN 115 N 0.76 1.06 0.00 4.80 4.20 -1.10 0.14 115.11 124.97 2rdx h GLN 115 Ca 0.27 -0.37 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 2rdx h GLN 115 Cb 0.06 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2rdx h GLN 115 CO -0.12 1.07 -0.34 0.00 -0.67 0.00 0.00 178.83 178.77 2rdx h ALA 116 N 0.96 1.13 -0.00 3.87 0.00 -1.00 -2.95 119.26 121.27 2rdx h ALA 116 Ca 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2rdx h ALA 116 Cb 0.63 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2rdx h ALA 116 CO 0.04 0.42 -0.80 0.25 0.00 0.00 0.00 179.25 179.16 2rdx n THR 117 N -3.68 0.00 -2.48 0.00 -2.24 -0.48 -4.98 114.28 100.42 2rdx n THR 117 Ca -0.01 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.63 2rdx n THR 117 Cb 0.44 0.74 0.01 0.00 -2.10 0.00 0.00 70.33 69.42 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 1.49 -0.11 3.03 3.38 0.00 -0.25 -5.03 105.19 107.71 2rdx n GLY 118 Ca 0.05 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.94 0.67 0.59 1.61 -1.52 -0.13 -4.63 119.66 111.32 2rdx s GLN 119 Ca 0.09 -0.38 -0.19 0.00 -1.95 0.00 0.00 55.36 52.92 2rdx s GLN 119 Cb -0.04 -0.63 -0.03 0.00 -0.22 0.00 0.00 33.01 32.08 2rdx s GLN 119 CO 0.12 0.17 1.27 -1.25 -0.25 0.00 0.00 175.29 175.34 2rdx s PRO 120 N -0.43 2.92 0.37 2.91 0.04 -1.25 -1.56 135.00 138.00 2rdx s PRO 120 Ca 0.02 2.00 0.07 0.00 0.04 0.00 0.00 61.00 63.13 2rdx s PRO 120 Cb -0.04 -2.01 0.79 0.00 0.04 0.00 0.00 34.50 33.28 2rdx s PRO 120 CO -0.00 -1.29 1.95 0.28 0.04 0.00 0.00 177.00 177.98 2rdx h VAL 121 N 0.96 0.98 -0.38 -0.36 2.07 -1.76 -1.44 116.25 116.33 2rdx h VAL 121 Ca -0.51 -0.24 0.08 0.00 0.82 0.00 0.00 66.70 66.86 2rdx h VAL 121 Cb 1.31 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2rdx h VAL 121 CO 0.55 0.13 0.27 4.11 0.02 0.00 0.00 177.57 182.65 2rdx h TRP 122 N 0.70 0.14 -0.33 1.57 5.08 -1.89 0.06 115.95 121.29 2rdx h TRP 122 Ca 0.33 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 60.15 2rdx h TRP 122 Cb 0.35 -0.05 -0.01 0.00 -3.00 0.00 0.00 29.16 26.46 2rdx h TRP 122 CO -0.00 0.07 -0.39 1.98 -1.28 0.00 0.00 178.44 178.83 2rdx h MET 123 N 0.14 0.78 0.00 0.12 4.05 -1.53 0.10 114.93 118.60 2rdx h MET 123 Ca 0.18 -0.40 0.00 0.00 -0.28 0.00 0.00 59.70 59.20 2rdx h MET 123 Cb 0.53 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 2rdx h MET 123 CO -0.02 1.03 0.00 -0.07 0.23 0.00 0.00 176.91 178.08 2rdx h LEU 124 N 0.64 0.00 -1.82 3.39 3.38 -1.05 -2.62 115.31 117.23 2rdx h LEU 124 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2rdx h LEU 124 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2rdx h LEU 124 CO 0.09 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.80 2rdx n LEU 125 N -2.43 2.69 0.00 1.67 4.77 -0.17 -4.93 117.00 118.61 2rdx n LEU 125 Ca 0.04 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.80 2rdx n LEU 125 Cb 0.37 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2rdx n LEU 125 CO 0.27 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 2rdx n GLY 126 N 1.34 1.64 0.00 -0.72 0.00 -0.99 -4.94 105.19 101.51 2rdx n GLY 126 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.67 3.45 -0.02 0.00 0.34 -4.94 105.19 104.69 2rdx n GLY 127 Ca 0.00 -2.32 -0.43 0.00 0.00 0.00 0.00 46.02 43.26 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 -0.81 3.36 0.05 1.61 2.20 -1.26 -4.06 119.74 120.83 2rdx s LYS 128 Ca 0.00 -1.31 0.23 0.00 -0.36 0.00 0.00 55.97 54.53 2rdx s LYS 128 Cb 0.00 -4.61 0.15 0.00 -1.51 0.00 0.00 37.83 31.86 2rdx s LYS 128 CO 0.00 -1.80 1.12 1.28 -0.36 0.00 0.00 175.35 175.59 2rdx n LEU 129 N 7.15 0.63 -3.63 5.43 4.77 0.57 -4.70 117.00 127.21 2rdx n LEU 129 Ca 0.11 -0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.83 2rdx n LEU 129 Cb 0.47 -0.13 -0.17 0.00 -2.33 0.00 0.00 43.42 41.26 2rdx n LEU 129 CO 0.57 0.05 -0.34 0.00 -1.33 0.00 0.00 177.39 176.35 2rdx s ASP 131 N 2.13 6.62 0.00 0.00 -1.08 -1.26 -4.54 116.67 118.54 2rdx s ASP 131 Ca 0.03 -2.10 0.00 0.00 -0.52 0.00 0.00 52.55 49.96 2rdx s ASP 131 Cb -0.15 -2.37 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 2rdx s ASP 131 CO -0.07 -1.00 0.00 0.61 0.52 0.00 0.00 175.17 175.23 2rdx n GLY 132 N 5.24 -1.54 3.69 2.66 0.00 -1.26 -5.03 105.19 108.95 2rdx n GLY 132 Ca 0.21 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 3.57 0.52 4.61 0.00 -0.48 -4.72 121.76 125.25 2rdx s ALA 133 Ca 0.00 0.85 -0.22 0.00 0.00 0.00 0.00 51.96 52.59 2rdx s ALA 133 Cb 0.00 -3.59 -0.06 0.00 0.00 0.00 0.00 23.12 19.48 2rdx s ALA 133 CO 0.00 -0.90 1.31 -1.25 0.00 0.00 0.00 175.76 174.92 2rdx s PRO 134 N 2.37 3.34 0.18 0.00 0.04 -1.26 -0.26 135.00 139.41 2rdx s PRO 134 Ca 0.63 2.11 0.10 0.00 0.04 0.00 0.00 61.00 63.88 2rdx s PRO 134 Cb -0.31 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 2rdx s PRO 134 CO 0.26 -1.00 -0.14 -1.64 0.04 0.00 0.00 177.00 174.52 2rdx s MET 135 N -2.83 1.88 0.20 4.56 -1.94 -0.98 -0.95 119.30 119.24 2rdx s MET 135 Ca 0.69 -1.33 0.10 0.00 -1.71 0.00 0.00 55.69 53.44 2rdx s MET 135 Cb -0.37 -2.07 -0.04 0.00 2.01 0.00 0.00 34.83 34.36 2rdx s MET 135 CO 0.44 0.43 -0.18 1.52 -0.01 0.00 0.00 175.02 177.23 2rdx s TYR 136 N -1.64 2.44 -0.36 -0.03 -0.85 -1.09 -4.01 117.35 111.81 2rdx s TYR 136 Ca 0.23 -0.30 -0.10 0.00 -0.52 0.00 0.00 57.07 56.38 2rdx s TYR 136 Cb -0.09 -1.19 0.02 0.00 0.38 0.00 0.00 41.96 41.09 2rdx s TYR 136 CO 0.13 0.52 0.18 1.03 -1.52 0.00 0.00 175.55 175.90 2rdx s ARG 137 N -2.81 2.91 -0.28 -3.49 1.81 -0.89 -4.75 118.95 111.45 2rdx s ARG 137 Ca 0.23 -1.02 -0.29 0.00 -1.72 0.00 0.00 55.73 52.94 2rdx s ARG 137 Cb -0.08 -3.67 -0.02 0.00 -0.45 0.00 0.00 34.95 30.73 2rdx s ARG 137 CO 0.12 -0.64 1.69 0.54 -0.68 0.00 0.00 175.30 176.34 2rdx s VAL 138 N 1.55 3.60 -0.20 3.52 0.11 -1.26 -1.88 120.40 125.84 2rdx s VAL 138 Ca 0.02 0.64 -0.06 0.00 -2.93 0.00 0.00 61.98 59.66 2rdx s VAL 138 Cb -0.19 -3.71 -0.03 0.00 -1.53 0.00 0.00 36.38 30.92 2rdx s VAL 138 CO 0.06 -0.38 0.02 0.00 -3.33 0.00 0.00 175.10 171.47 2rdx s ALA 139 N 5.99 3.14 1.27 1.54 0.00 -1.12 -4.97 121.76 127.60 2rdx s ALA 139 Ca 0.75 -0.93 -0.21 0.00 0.00 0.00 0.00 51.96 51.57 2rdx s ALA 139 Cb -0.23 -1.83 0.31 0.00 0.00 0.00 0.00 23.12 21.37 2rdx s ALA 139 CO 0.32 -0.07 1.07 -1.25 0.00 0.00 0.00 175.76 175.83 2rdx s PRO 140 N 0.85 -1.74 -0.14 0.00 0.04 -1.26 -3.33 135.00 129.43 2rdx s PRO 140 Ca 0.02 -0.08 -0.29 0.00 0.04 0.00 0.00 61.00 60.68 2rdx s PRO 140 Cb -0.14 -1.54 -0.01 0.00 0.04 0.00 0.00 34.50 32.85 2rdx s PRO 140 CO 0.02 -4.05 1.06 -0.65 0.04 0.00 0.00 177.00 173.42 2rdx s GLN 141 N -5.38 4.36 0.00 4.56 -0.21 -1.14 -4.69 119.66 117.16 2rdx s GLN 141 Ca 0.71 1.43 0.00 0.00 0.02 0.00 0.00 55.36 57.52 2rdx s GLN 141 Cb -0.09 -3.59 0.00 0.00 1.00 0.00 0.00 33.01 30.33 2rdx s GLN 141 CO 0.56 -0.45 0.00 0.00 -2.12 0.00 0.00 175.29 173.29 2rdx n ALA 145 N 5.50 0.00 -3.70 6.09 0.00 -1.26 -4.96 120.51 122.18 2rdx n ALA 145 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.17 2rdx n ALA 145 Cb 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.83 2rdx n ALA 145 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2rdx s GLU 146 N 0.00 2.66 0.74 0.00 0.41 -1.26 -5.08 118.70 116.17 2rdx s GLU 146 Ca 0.00 -2.59 -0.11 0.00 -0.41 0.00 0.00 54.97 51.86 2rdx s GLU 146 Cb 0.00 -3.77 0.03 0.00 -1.78 0.00 0.00 34.13 28.61 2rdx s GLU 146 CO 0.00 -1.19 1.08 0.99 -0.49 0.00 0.00 175.26 175.66 2rdx s THR 147 N -0.16 3.55 0.24 3.63 2.01 -1.26 -4.98 115.64 118.67 2rdx s THR 147 Ca 0.18 0.50 -0.06 0.00 0.31 0.00 0.00 61.69 62.61 2rdx s THR 147 Cb -0.19 -3.32 0.24 0.00 0.01 0.00 0.00 72.50 69.24 2rdx s THR 147 CO -0.04 -0.66 1.91 0.03 -0.69 0.00 0.00 174.62 175.18 2rdx h ARG 148 N -0.84 1.24 0.00 4.92 3.08 -1.98 -3.12 114.38 117.68 2rdx h ARG 148 Ca -0.45 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.47 2rdx h ARG 148 Cb 1.24 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 2rdx h ARG 148 CO 0.60 0.82 -0.22 0.00 -1.07 0.00 0.00 179.97 180.10 2rdx h ALA 149 N 1.36 0.98 -0.27 0.04 0.00 -2.00 -3.03 119.26 116.34 2rdx h ALA 149 Ca 0.36 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 2rdx h ALA 149 Cb -0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2rdx h ALA 149 CO -0.09 0.28 -0.42 1.49 0.00 0.00 0.00 179.25 180.51 2rdx h GLU 150 N 0.00 0.76 0.00 0.00 4.81 -1.92 -3.07 114.58 115.16 2rdx h GLU 150 Ca -0.00 -0.46 -0.08 0.00 -0.13 0.00 0.00 59.36 58.69 2rdx h GLU 150 Cb 0.82 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 2rdx h GLU 150 CO 0.03 1.09 -0.38 -0.07 -0.73 0.00 0.00 179.01 178.94 2rdx h LEU 151 N 0.51 0.00 -1.24 1.64 4.07 -1.58 -2.46 115.31 116.25 2rdx h LEU 151 Ca 0.02 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.92 2rdx h LEU 151 Cb 1.02 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 2rdx h LEU 151 CO 0.10 0.38 -0.32 0.00 -1.08 0.00 0.00 178.44 177.52 2rdx h ALA 152 N 1.62 1.16 0.16 1.53 0.00 -1.53 -2.18 119.26 120.02 2rdx h ALA 152 Ca -0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 54.91 54.32 2rdx h ALA 152 Cb 0.76 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.51 2rdx h ALA 152 CO 0.05 0.40 -1.35 -0.09 0.00 0.00 0.00 179.25 178.26 2rdx h ARG 153 N 0.00 0.34 -0.52 0.00 2.43 -1.35 0.34 114.38 115.61 2rdx h ARG 153 Ca -0.00 -0.58 -0.12 0.00 -0.81 0.00 0.00 59.98 58.47 2rdx h ARG 153 Cb 0.71 0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 2rdx h ARG 153 CO 0.04 1.26 -0.16 0.45 -1.51 0.00 0.00 179.97 180.06 2rdx h HIS 154 N 0.09 1.17 -0.67 2.20 3.86 -1.50 -1.18 115.15 119.11 2rdx h HIS 154 Ca -0.18 -0.26 0.04 0.00 -1.16 0.00 0.00 60.37 58.80 2rdx h HIS 154 Cb 2.03 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 30.17 2rdx h HIS 154 CO 0.08 1.09 0.40 -0.09 0.86 0.00 0.00 177.93 180.28 2rdx h ARG 155 N 0.90 0.75 -0.48 2.45 2.43 -1.43 -1.30 114.38 117.71 2rdx h ARG 155 Ca 0.13 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2rdx h ARG 155 Cb 0.74 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 2rdx h ARG 155 CO 0.06 0.50 0.29 0.00 -1.51 0.00 0.00 179.97 179.30 2rdx h ALA 156 N 1.31 1.60 -0.00 2.80 0.00 -0.68 -1.71 119.26 122.58 2rdx h ALA 156 Ca 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2rdx h ALA 156 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2rdx h ALA 156 CO -0.13 0.35 -0.04 0.00 0.00 0.00 0.00 179.25 179.43 2rdx n ALA 157 N -2.46 2.59 0.00 0.00 0.00 -0.47 -4.92 120.51 115.25 2rdx n ALA 157 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2rdx n ALA 157 Cb 0.08 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 1.26 1.50 3.74 0.00 0.00 -0.64 -4.25 105.19 106.79 2rdx n GLY 158 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.06 3.47 -0.40 1.61 1.51 -0.54 -4.35 117.35 116.59 2rdx s TYR 159 Ca 0.00 1.46 0.04 0.00 -1.01 0.00 0.00 57.07 57.56 2rdx s TYR 159 Cb 0.00 -3.39 0.05 0.00 -0.11 0.00 0.00 41.96 38.51 2rdx s TYR 159 CO 0.00 -1.06 0.78 0.54 -1.11 0.00 0.00 175.55 174.70 2rdx n ARG 160 N 2.53 0.70 -4.62 -0.62 5.12 -1.26 -3.76 116.66 114.75 2rdx n ARG 160 Ca 0.04 -1.05 -0.22 0.00 -1.93 0.00 0.00 57.85 54.69 2rdx n ARG 160 Cb 0.45 -1.08 -0.15 0.00 -1.16 0.00 0.00 32.46 30.52 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 -0.55 1.11 -0.03 5.56 -0.21 -1.26 -2.25 119.66 122.03 2rdx s GLN 161 Ca 0.05 -0.50 -0.00 0.00 0.02 0.00 0.00 55.36 54.93 2rdx s GLN 161 Cb 0.03 -1.07 0.03 0.00 1.00 0.00 0.00 33.01 33.00 2rdx s GLN 161 CO 0.05 0.29 0.02 -0.06 -2.12 0.00 0.00 175.29 173.48 2rdx s PHE 162 N -0.35 0.18 -0.23 0.91 0.40 -0.48 -2.09 117.98 116.33 2rdx s PHE 162 Ca 0.05 0.09 -0.22 0.00 -0.60 0.00 0.00 56.93 56.25 2rdx s PHE 162 Cb -0.05 -0.39 -0.02 0.00 0.51 0.00 0.00 43.02 43.07 2rdx s PHE 162 CO -0.00 -0.14 0.71 -1.14 0.70 0.00 0.00 175.22 175.34 2rdx s GLN 163 N 1.38 4.18 -0.33 0.44 0.74 -0.79 -1.34 119.66 123.93 2rdx s GLN 163 Ca -0.05 0.73 -0.20 0.00 0.05 0.00 0.00 55.36 55.88 2rdx s GLN 163 Cb -0.13 -3.62 -0.00 0.00 1.10 0.00 0.00 33.01 30.36 2rdx s GLN 163 CO -0.03 -0.39 0.62 0.42 -0.55 0.00 0.00 175.29 175.36 2rdx s ILE 164 N 2.42 4.92 -0.42 -2.34 1.01 0.12 -2.80 121.20 124.10 2rdx s ILE 164 Ca 0.30 0.68 -0.29 0.00 0.00 0.00 0.00 60.65 61.34 2rdx s ILE 164 Cb -0.16 -4.03 0.02 0.00 0.01 0.00 0.00 42.46 38.30 2rdx s ILE 164 CO 0.09 -0.23 1.16 -0.54 0.00 0.00 0.00 174.94 175.41 2rdx s LYS 165 N 2.64 3.81 0.00 2.79 3.01 -1.21 -0.28 119.74 130.50 2rdx s LYS 165 Ca 0.24 0.77 0.00 0.00 -1.01 0.00 0.00 55.97 55.97 2rdx s LYS 165 Cb -0.15 -3.87 0.00 0.00 -1.01 0.00 0.00 37.83 32.80 2rdx s LYS 165 CO 0.13 -1.26 0.00 1.33 0.51 0.00 0.00 175.35 176.06 2rdx n VAL 166 N 6.59 0.00 0.00 3.17 0.24 0.37 -4.59 118.33 124.11 2rdx n VAL 166 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 2rdx n VAL 166 Cb 0.48 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 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 4.51 0.98 0.06 7.63 0.00 -1.26 -3.92 105.19 113.19 2rdx n GLY 167 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2rdx n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rdx n ALA 168 N -0.67 2.67 -2.93 4.61 0.00 -0.84 -3.74 120.51 119.62 2rdx n ALA 168 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.03 2rdx n ALA 168 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2rdx n ALA 168 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2rdx s ASP 169 N -4.91 -1.20 0.51 0.00 2.15 -1.26 -4.88 116.67 107.08 2rdx s ASP 169 Ca -0.05 -0.99 0.36 0.00 0.43 0.00 0.00 52.55 52.30 2rdx s ASP 169 Cb 0.12 1.55 1.51 0.00 -0.30 0.00 0.00 42.92 45.81 2rdx s ASP 169 CO 0.86 -0.09 1.73 4.11 -0.17 0.00 0.00 175.17 181.61 2rdx h TRP 170 N 5.74 0.16 -0.00 -5.34 5.08 -1.93 0.12 115.95 119.78 2rdx h TRP 170 Ca 0.04 0.01 -0.10 0.00 1.08 0.00 0.00 58.89 59.91 2rdx h TRP 170 Cb 1.16 -0.04 0.01 0.00 -3.00 0.00 0.00 29.16 27.29 2rdx h TRP 170 CO 0.07 -0.02 -0.38 0.37 -1.28 0.00 0.00 178.44 177.21 2rdx h GLN 171 N 0.07 0.26 0.00 0.12 4.15 -1.96 -2.42 115.11 115.32 2rdx h GLN 171 Ca 0.68 -0.28 -0.02 0.00 0.77 0.00 0.00 58.65 59.80 2rdx h GLN 171 Cb 2.51 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 30.27 2rdx h GLN 171 CO -0.10 0.99 -0.11 0.66 -1.93 0.00 0.00 178.83 178.34 2rdx h SER 172 N -0.36 0.00 -0.17 -0.69 4.64 -1.87 -3.13 113.55 111.97 2rdx h SER 172 Ca -0.05 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.23 2rdx h SER 172 Cb 1.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 2rdx h SER 172 CO 0.07 0.11 -0.02 0.44 -0.87 0.00 0.00 176.83 176.56 2rdx h ASP 173 N 0.00 0.42 -0.09 4.97 3.45 -0.93 -1.34 116.42 122.89 2rdx h ASP 173 Ca -0.00 -0.08 0.01 0.00 0.43 0.00 0.00 57.03 57.39 2rdx h ASP 173 Cb 1.02 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.67 2rdx h ASP 173 CO 0.01 0.50 0.04 0.40 -1.57 0.00 0.00 179.24 178.63 2rdx h ILE 174 N 0.43 1.00 -0.69 0.35 2.04 -1.37 -1.57 117.51 117.69 2rdx h ILE 174 Ca 0.09 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.85 2rdx h ILE 174 Cb 0.32 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 2rdx h ILE 174 CO 0.01 0.02 0.17 0.44 0.00 0.00 0.00 178.15 178.78 2rdx h ASP 175 N 0.09 1.04 -0.53 1.72 3.32 -1.59 -0.55 116.42 119.93 2rdx h ASP 175 Ca 0.04 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.82 2rdx h ASP 175 Cb 0.01 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2rdx h ASP 175 CO -0.03 1.00 0.16 0.03 -1.72 0.00 0.00 179.24 178.68 2rdx h ARG 176 N 1.05 0.82 -0.28 3.56 3.08 -1.16 -1.82 114.38 119.62 2rdx h ARG 176 Ca 0.22 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 2rdx h ARG 176 Cb 0.37 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2rdx h ARG 176 CO 0.00 0.76 0.04 0.82 -1.07 0.00 0.00 179.97 180.52 2rdx h ILE 177 N 0.73 1.23 0.00 2.04 2.04 -1.03 -2.62 117.51 119.89 2rdx h ILE 177 Ca 0.17 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 2rdx h ILE 177 Cb 0.28 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2rdx h ILE 177 CO -0.00 0.26 -0.11 0.03 0.00 0.00 0.00 178.15 178.32 2rdx h ARG 178 N 0.27 0.00 0.00 2.37 3.08 -0.98 -2.40 114.38 116.73 2rdx h ARG 178 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2rdx h ARG 178 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2rdx h ARG 178 CO 0.01 0.11 -0.99 0.00 -1.07 0.00 0.00 179.97 178.03 2rdx n ALA 179 N -2.38 2.60 0.10 0.04 0.00 -0.70 -4.33 120.51 115.84 2rdx n ALA 179 Ca -0.02 -0.24 -0.24 0.00 0.00 0.00 0.00 53.44 52.93 2rdx n ALA 179 Cb 0.20 -1.10 -0.15 0.00 0.00 0.00 0.00 19.45 18.40 2rdx n ALA 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rdx h LEU 181 N 0.09 1.07 0.00 0.00 3.38 -1.69 -2.17 115.31 115.99 2rdx h LEU 181 Ca -0.30 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2rdx h LEU 181 Cb 2.11 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.57 2rdx h LEU 181 CO 0.22 1.06 0.00 -2.65 0.09 0.00 0.00 178.44 177.15 2rdx n PRO 182 N -4.21 0.58 0.00 1.13 -0.02 -1.26 -2.10 135.00 129.12 2rdx n PRO 182 Ca 0.04 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.63 2rdx n PRO 182 Cb 0.29 -1.30 -0.03 0.00 -0.02 0.00 0.00 33.50 32.44 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 -0.80 1.72 -4.83 2.45 4.32 -0.82 -4.96 117.00 114.09 2rdx n LEU 183 Ca 0.08 -0.70 -0.33 0.00 -0.02 0.00 0.00 56.01 55.05 2rdx n LEU 183 Cb 0.04 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.77 2rdx n LEU 183 CO 0.06 0.34 0.56 -0.76 -1.22 0.00 0.00 177.39 176.37 2rdx s LEU 184 N -2.53 4.01 0.30 2.23 1.43 -0.89 -5.01 118.68 118.20 2rdx s LEU 184 Ca 0.15 1.54 -0.01 0.00 -1.03 0.00 0.00 54.13 54.78 2rdx s LEU 184 Cb 0.17 -4.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.01 2rdx s LEU 184 CO 0.61 -0.29 0.51 -1.61 0.23 0.00 0.00 176.35 175.80 2rdx s GLU 185 N -3.05 3.52 0.12 1.70 2.02 -1.26 -4.99 118.70 116.77 2rdx s GLU 185 Ca 0.58 -0.27 -0.07 0.00 0.02 0.00 0.00 54.97 55.24 2rdx s GLU 185 Cb -0.10 -2.71 0.16 0.00 0.10 0.00 0.00 34.13 31.58 2rdx s GLU 185 CO 0.15 0.23 0.75 -2.30 0.02 0.00 0.00 175.26 174.11 2rdx n PRO 186 N -1.33 -0.08 -0.02 0.39 -0.02 -1.26 -1.00 135.00 131.68 2rdx n PRO 186 Ca -0.04 0.74 0.11 0.00 -2.02 0.00 0.00 63.50 62.29 2rdx n PRO 186 Cb 0.55 -1.11 0.57 0.00 -0.02 0.00 0.00 33.50 33.50 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 -1.26 -0.62 3.90 -1.23 0.00 -1.26 -4.94 105.19 99.78 2rdx n GLY 187 Ca 0.06 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.95 3.47 -0.02 1.61 2.02 -0.17 -4.98 118.70 118.68 2rdx s GLU 188 Ca 0.33 -0.25 0.02 0.00 0.02 0.00 0.00 54.97 55.08 2rdx s GLU 188 Cb 0.16 -3.09 -0.03 0.00 0.10 0.00 0.00 34.13 31.26 2rdx s GLU 188 CO 0.26 0.67 -0.05 0.15 0.02 0.00 0.00 175.26 176.32 2rdx s LYS 189 N -1.86 2.68 -0.07 1.61 3.01 -0.95 -4.83 119.74 119.33 2rdx s LYS 189 Ca 0.27 -0.63 0.05 0.00 -1.01 0.00 0.00 55.97 54.64 2rdx s LYS 189 Cb -0.13 -2.58 -0.00 0.00 -1.01 0.00 0.00 37.83 34.11 2rdx s LYS 189 CO 0.17 0.63 -0.22 0.00 0.51 0.00 0.00 175.35 176.44 2rdx s ALA 190 N -0.97 1.96 -0.16 5.17 0.00 -1.26 -1.38 121.76 125.12 2rdx s ALA 190 Ca 0.16 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 51.22 2rdx s ALA 190 Cb -0.11 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 2rdx s ALA 190 CO 0.06 0.33 -0.13 0.00 0.00 0.00 0.00 175.76 176.02 2rdx s MET 191 N 0.09 3.29 -0.52 0.00 0.23 -0.45 -1.52 119.30 120.42 2rdx s MET 191 Ca -0.09 -0.71 -0.21 0.00 -1.03 0.00 0.00 55.69 53.65 2rdx s MET 191 Cb -0.15 -2.68 0.05 0.00 -1.53 0.00 0.00 34.83 30.52 2rdx s MET 191 CO 0.05 0.04 0.71 0.00 -2.03 0.00 0.00 175.02 173.79 2rdx s ALA 192 N 0.79 3.32 -0.30 3.16 0.00 0.15 0.12 121.76 129.00 2rdx s ALA 192 Ca -0.05 -1.60 -0.09 0.00 0.00 0.00 0.00 51.96 50.22 2rdx s ALA 192 Cb -0.15 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 2rdx s ALA 192 CO 0.01 -2.11 0.14 0.34 0.00 0.00 0.00 175.76 174.13 2rdx s ASP 193 N 2.73 5.51 0.01 0.00 -1.08 0.62 -1.30 116.67 123.15 2rdx s ASP 193 Ca 0.19 -0.45 0.25 0.00 -0.52 0.00 0.00 52.55 52.02 2rdx s ASP 193 Cb -0.17 -1.99 0.56 0.00 -1.46 0.00 0.00 42.92 39.85 2rdx s ASP 193 CO 0.14 -0.16 1.45 0.00 0.52 0.00 0.00 175.17 177.12 2rdx n ALA 194 N 4.97 3.39 -3.92 3.66 0.00 -1.09 -0.48 120.51 127.05 2rdx n ALA 194 Ca -0.14 -0.32 -0.27 0.00 0.00 0.00 0.00 53.44 52.71 2rdx n ALA 194 Cb 0.50 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.54 -1.11 -0.47 0.00 4.13 -1.25 -1.49 115.26 113.54 2rdx n ASN 195 Ca 0.05 -1.02 -0.06 0.00 1.68 0.00 0.00 54.58 55.23 2rdx n ASN 195 Cb 0.34 -3.04 -0.03 0.00 -1.54 0.00 0.00 39.78 35.52 2rdx n ASN 195 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2rdx n GLN 196 N -4.39 -0.91 0.09 3.52 6.02 -0.89 -4.56 117.38 116.26 2rdx n GLN 196 Ca -0.28 0.61 -0.18 0.00 -0.01 0.00 0.00 57.00 57.14 2rdx n GLN 196 Cb 0.67 -4.50 -0.14 0.00 1.02 0.00 0.00 30.24 27.28 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 0.37 -2.59 1.08 0.00 -1.31 -3.12 103.07 97.50 2rdx h GLY 197 Ca -0.13 -0.94 -0.46 0.00 0.00 0.00 0.00 47.33 45.80 2rdx h GLY 197 CO 0.18 0.82 0.37 -0.98 0.00 0.00 0.00 176.54 176.93 2rdx s TRP 198 N -2.63 3.39 0.31 5.60 0.51 -0.86 -4.73 118.94 120.54 2rdx s TRP 198 Ca -0.07 1.67 -0.22 0.00 -2.12 0.00 0.00 56.10 55.36 2rdx s TRP 198 Cb 0.06 -2.98 -0.09 0.00 -0.81 0.00 0.00 33.47 29.65 2rdx s TRP 198 CO 0.88 -0.23 0.85 0.50 -0.51 0.00 0.00 176.95 178.45 2rdx s ARG 199 N -2.61 4.34 0.28 4.98 3.52 -1.26 -4.43 118.95 123.77 2rdx s ARG 199 Ca 0.57 1.07 0.01 0.00 -0.13 0.00 0.00 55.73 57.26 2rdx s ARG 199 Cb -0.17 -2.65 0.65 0.00 -1.56 0.00 0.00 34.95 31.22 2rdx s ARG 199 CO 0.22 0.24 1.70 -0.39 -0.81 0.00 0.00 175.30 176.25 2rdx h VAL 200 N 2.43 0.50 -0.57 7.11 -1.51 -1.94 -0.39 116.25 121.87 2rdx h VAL 200 Ca -0.48 -0.13 -0.04 0.00 -1.23 0.00 0.00 66.70 64.82 2rdx h VAL 200 Cb 1.19 0.08 -0.02 0.00 -2.13 0.00 0.00 31.29 30.40 2rdx h VAL 200 CO 0.64 0.07 0.20 -2.24 -1.23 0.00 0.00 177.57 175.01 2rdx h ASP 201 N 0.38 0.82 -0.39 4.19 2.03 -1.99 -0.47 116.42 120.99 2rdx h ASP 201 Ca 0.52 -0.19 -0.10 0.00 -0.73 0.00 0.00 57.03 56.53 2rdx h ASP 201 Cb 0.95 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 39.22 2rdx h ASP 201 CO -0.52 0.79 -0.12 0.78 -1.03 0.00 0.00 179.24 179.15 2rdx h ASN 202 N 0.79 0.84 -0.19 4.15 2.35 -1.52 -0.88 115.58 121.13 2rdx h ASN 202 Ca 0.19 -0.26 -0.10 0.00 -0.55 0.00 0.00 56.30 55.57 2rdx h ASN 202 Cb 0.25 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 2rdx h ASN 202 CO -0.01 0.97 -0.23 0.00 -1.65 0.00 0.00 177.43 176.52 2rdx h ALA 203 N 1.10 0.98 -0.08 -0.83 0.00 -1.04 -1.54 119.26 117.86 2rdx h ALA 203 Ca 0.12 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2rdx h ALA 203 Cb 0.62 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2rdx h ALA 203 CO 0.04 0.60 0.04 0.82 0.00 0.00 0.00 179.25 180.75 2rdx h ILE 204 N 0.57 1.07 -0.78 0.00 1.08 -0.65 -0.30 117.51 118.50 2rdx h ILE 204 Ca 0.08 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 2rdx h ILE 204 Cb 0.69 1.06 -0.04 0.00 -3.07 0.00 0.00 36.82 35.46 2rdx h ILE 204 CO 0.05 0.06 0.50 0.03 -0.69 0.00 0.00 178.15 178.10 2rdx h ARG 205 N 0.05 1.04 -0.40 2.37 3.08 -1.03 0.23 114.38 119.72 2rdx h ARG 205 Ca 0.03 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 2rdx h ARG 205 Cb 0.06 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2rdx h ARG 205 CO -0.00 0.70 -0.31 1.25 -1.07 0.00 0.00 179.97 180.54 2rdx h LEU 206 N 1.06 0.92 -0.46 3.04 6.46 -1.13 -2.26 115.31 122.94 2rdx h LEU 206 Ca 0.28 -0.39 -0.04 0.00 -0.12 0.00 0.00 57.88 57.62 2rdx h LEU 206 Cb -0.09 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.56 2rdx h LEU 206 CO -0.06 1.15 0.13 0.00 -0.62 0.00 0.00 178.44 179.05 2rdx h ALA 207 N 0.90 0.61 -0.38 1.25 0.00 -0.11 -2.24 119.26 119.27 2rdx h ALA 207 Ca 0.08 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 2rdx h ALA 207 Cb 0.88 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2rdx h ALA 207 CO 0.08 0.27 -0.19 0.00 0.00 0.00 0.00 179.25 179.40 2rdx h ARG 208 N 0.61 0.74 0.00 0.00 3.08 -1.00 -2.33 114.38 115.48 2rdx h ARG 208 Ca 0.15 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2rdx h ARG 208 Cb 0.29 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2rdx h ARG 208 CO -0.00 0.88 0.00 0.00 -1.07 0.00 0.00 179.97 179.77 2rdx h ALA 209 N 1.13 1.00 0.00 0.04 0.00 -1.29 -3.24 119.26 116.90 2rdx h ALA 209 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2rdx h ALA 209 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2rdx h ALA 209 CO 0.05 0.00 -0.43 0.25 0.00 0.00 0.00 179.25 179.13 2rdx n THR 210 N -2.48 2.05 0.28 0.00 -2.24 -0.85 -4.78 114.28 106.25 2rdx n THR 210 Ca 0.05 -2.95 0.17 0.00 -2.27 0.00 0.00 64.05 59.04 2rdx n THR 210 Cb 0.43 -0.19 0.70 0.00 -2.10 0.00 0.00 70.33 69.17 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 0.80 0.00 -0.55 -0.78 0.11 -1.45 -2.64 114.38 109.88 2rdx h ARG 211 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2rdx h ARG 211 Cb 1.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.12 2rdx h ARG 211 CO 0.00 0.01 0.00 -0.25 0.10 0.00 0.00 179.97 179.84 2rdx n ASP 212 N -3.11 2.87 -4.58 0.08 8.00 -1.26 -4.94 116.55 113.61 2rdx n ASP 212 Ca 0.00 -2.19 -0.26 0.00 0.71 0.00 0.00 54.79 53.05 2rdx n ASP 212 Cb 0.30 -0.40 -0.09 0.00 -0.02 0.00 0.00 41.12 40.90 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 -1.22 3.00 -0.51 0.64 1.43 -1.00 -5.10 118.68 115.93 2rdx s LEU 213 Ca 0.31 -0.59 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 2rdx s LEU 213 Cb 0.19 -1.66 0.13 0.00 0.03 0.00 0.00 46.19 44.87 2rdx s LEU 213 CO 0.17 0.09 0.35 -0.62 0.23 0.00 0.00 176.35 176.56 2rdx s ASP 214 N -2.93 5.52 0.24 2.29 2.15 -1.26 -4.90 116.67 117.78 2rdx s ASP 214 Ca 0.26 -2.21 -0.12 0.00 0.43 0.00 0.00 52.55 50.91 2rdx s ASP 214 Cb -0.08 -1.93 -0.01 0.00 -0.30 0.00 0.00 42.92 40.60 2rdx s ASP 214 CO 0.16 -0.57 0.44 -0.72 -0.17 0.00 0.00 175.17 174.31 2rdx s TYR 215 N 0.90 0.43 -0.26 -5.34 -0.85 -1.26 -4.76 117.35 106.21 2rdx s TYR 215 Ca 0.10 -0.78 -0.15 0.00 -0.52 0.00 0.00 57.07 55.72 2rdx s TYR 215 Cb -0.23 0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.19 2rdx s TYR 215 CO -0.03 -0.96 0.37 0.42 -1.52 0.00 0.00 175.55 173.83 2rdx s ILE 216 N -4.03 5.19 -0.58 -3.49 1.01 -0.58 -3.92 121.20 114.80 2rdx s ILE 216 Ca 0.24 0.58 -0.26 0.00 0.00 0.00 0.00 60.65 61.21 2rdx s ILE 216 Cb 0.00 -3.70 0.04 0.00 0.01 0.00 0.00 42.46 38.81 2rdx s ILE 216 CO 0.09 0.18 1.06 -0.22 0.00 0.00 0.00 174.94 176.05 2rdx s LEU 217 N 1.88 3.80 -0.24 2.97 2.96 -0.21 -0.67 118.68 129.18 2rdx s LEU 217 Ca 0.15 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 53.75 2rdx s LEU 217 Cb -0.15 -2.91 -0.04 0.00 0.50 0.00 0.00 46.19 43.58 2rdx s LEU 217 CO 0.09 -1.38 0.12 -0.70 -1.32 0.00 0.00 176.35 173.16 2rdx s GLU 218 N 4.47 3.92 -0.87 1.98 2.12 -0.42 -0.75 118.70 129.15 2rdx s GLU 218 Ca 0.35 -0.35 -0.21 0.00 0.36 0.00 0.00 54.97 55.12 2rdx s GLU 218 Cb -0.10 -3.43 0.03 0.00 0.26 0.00 0.00 34.13 30.88 2rdx s GLU 218 CO 0.21 0.00 0.51 0.94 -0.54 0.00 0.00 175.26 176.38 2rdx n GLN 219 N 4.42 -0.58 0.21 4.30 -0.06 0.55 -2.66 117.38 123.56 2rdx n GLN 219 Ca -0.15 0.08 0.05 0.00 -2.00 0.00 0.00 57.00 54.98 2rdx n GLN 219 Cb 0.52 -1.69 0.50 0.00 -4.06 0.00 0.00 30.24 25.51 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 -1.06 0.05 -5.13 3.69 0.13 -1.86 -2.38 132.00 125.44 2rdx h PRO 220 Ca -0.55 -0.01 -0.44 0.00 -0.87 0.00 0.00 66.00 64.14 2rdx h PRO 220 Cb 1.10 -0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.08 2rdx h PRO 220 CO 0.38 0.19 -0.61 0.00 -0.23 0.00 0.00 178.00 177.72 2rdx h ARG 222 N 2.19 -0.43 -6.54 0.00 2.43 -1.79 -3.39 114.38 106.86 2rdx h ARG 222 Ca -0.40 0.03 -0.47 0.00 -0.81 0.00 0.00 59.98 58.33 2rdx h ARG 222 Cb 1.25 0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.91 2rdx h ARG 222 CO 0.67 -0.16 -0.19 -1.54 -1.51 0.00 0.00 179.97 177.25 2rdx s SER 223 N -4.96 6.16 0.17 -3.80 1.04 -1.26 -4.70 113.70 106.35 2rdx s SER 223 Ca -0.15 0.35 -0.13 0.00 0.48 0.00 0.00 55.95 56.50 2rdx s SER 223 Cb 0.03 -1.84 0.07 0.00 0.10 0.00 0.00 66.02 64.38 2rdx s SER 223 CO 0.59 -0.40 1.81 0.22 0.98 0.00 0.00 173.24 176.44 2rdx h TYR 224 N 0.69 0.73 -0.61 5.02 3.20 -1.94 -2.27 116.97 121.80 2rdx h TYR 224 Ca -0.49 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.33 2rdx h TYR 224 Cb 1.23 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 2rdx h TYR 224 CO 0.49 0.51 0.20 0.93 -1.64 0.00 0.00 178.16 178.64 2rdx h GLU 225 N 0.75 0.94 -0.70 1.82 3.07 -1.98 0.18 114.58 118.66 2rdx h GLU 225 Ca 0.20 -0.20 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 2rdx h GLU 225 Cb -0.01 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 27.72 2rdx h GLU 225 CO -0.04 0.83 0.46 0.93 -1.40 0.00 0.00 179.01 179.80 2rdx h GLU 226 N 0.87 0.92 -0.54 2.33 5.08 -1.96 -0.71 114.58 120.57 2rdx h GLU 226 Ca 0.20 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 2rdx h GLU 226 Cb 0.28 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2rdx h GLU 226 CO -0.01 0.61 -0.11 0.00 -1.00 0.00 0.00 179.01 178.50 2rdx h GLN 228 N 0.91 1.17 -0.76 0.00 1.08 -0.54 -0.60 115.11 116.37 2rdx h GLN 228 Ca 0.14 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.23 2rdx h GLN 228 Cb 0.68 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.81 2rdx h GLN 228 CO 0.05 0.78 0.31 0.37 -0.95 0.00 0.00 178.83 179.39 2rdx h GLN 229 N 1.21 1.12 -0.46 1.46 4.15 -0.64 -2.39 115.11 119.56 2rdx h GLN 229 Ca 0.34 -0.19 -0.10 0.00 0.77 0.00 0.00 58.65 59.47 2rdx h GLN 229 Cb -0.11 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.38 2rdx h GLN 229 CO -0.08 0.90 -0.08 0.28 -1.93 0.00 0.00 178.83 177.92 2rdx h VAL 230 N 1.10 1.27 -0.14 2.39 2.07 -0.88 -3.02 116.25 119.04 2rdx h VAL 230 Ca 0.26 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.62 2rdx h VAL 230 Cb 0.19 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2rdx h VAL 230 CO -0.02 0.41 0.13 -0.09 0.02 0.00 0.00 177.57 178.02 2rdx h ARG 231 N 0.71 0.00 -0.81 1.57 2.43 -0.82 -0.42 114.38 117.05 2rdx h ARG 231 Ca 0.12 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.46 2rdx h ARG 231 Cb 0.62 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 2rdx h ARG 231 CO 0.04 0.00 0.54 -0.09 -1.51 0.00 0.00 179.97 178.95 2rdx h ARG 232 N 0.00 0.37 0.00 0.20 2.43 -1.30 -3.18 114.38 112.89 2rdx h ARG 232 Ca 0.07 -0.02 -0.26 0.00 -0.81 0.00 0.00 59.98 58.96 2rdx h ARG 232 Cb 0.33 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.75 2rdx h ARG 232 CO -0.00 0.24 -1.99 0.28 -1.51 0.00 0.00 179.97 177.00 2rdx n VAL 233 N -4.48 0.99 -2.67 0.20 0.31 -0.54 -4.99 118.33 107.17 2rdx n VAL 233 Ca 0.16 -0.39 -0.43 0.00 -0.01 0.00 0.00 64.34 63.67 2rdx n VAL 233 Cb 0.61 -1.09 -0.02 0.00 -0.91 0.00 0.00 33.84 32.44 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 -2.35 3.63 -0.87 3.52 0.00 -0.28 -4.93 121.76 120.48 2rdx s ALA 234 Ca -0.22 0.22 0.23 0.00 0.00 0.00 0.00 51.96 52.19 2rdx s ALA 234 Cb 0.06 -3.53 0.17 0.00 0.00 0.00 0.00 23.12 19.83 2rdx s ALA 234 CO 0.41 -0.96 1.16 -0.25 0.00 0.00 0.00 175.76 176.12 2rdx n ASP 235 N 6.06 0.66 -4.75 0.00 8.00 -1.26 -4.68 116.55 120.59 2rdx n ASP 235 Ca 0.11 -0.42 -0.38 0.00 0.71 0.00 0.00 54.79 54.81 2rdx n ASP 235 Cb 0.47 0.61 0.05 0.00 -0.02 0.00 0.00 41.12 42.22 2rdx n ASP 235 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2rdx s GLN 236 N -3.07 3.03 0.13 -1.24 1.11 -1.26 -4.90 119.66 113.47 2rdx s GLN 236 Ca 0.08 2.25 -0.34 0.00 0.01 0.00 0.00 55.36 57.35 2rdx s GLN 236 Cb 0.16 -2.20 -0.14 0.00 -1.01 0.00 0.00 33.01 29.82 2rdx s GLN 236 CO 0.77 -1.28 1.56 -2.30 0.01 0.00 0.00 175.29 174.06 2rdx n PRO 237 N -1.16 2.00 -3.83 2.91 -0.02 -1.25 -4.71 135.00 128.93 2rdx n PRO 237 Ca 0.11 0.72 -0.36 0.00 -2.02 0.00 0.00 63.50 61.96 2rdx n PRO 237 Cb 0.45 -2.48 -0.08 0.00 -0.02 0.00 0.00 33.50 31.38 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 1.02 3.89 -0.20 -0.52 1.75 -1.26 -1.04 119.30 122.94 2rdx s MET 238 Ca 0.80 -0.21 -0.05 0.00 -1.25 0.00 0.00 55.69 54.98 2rdx s MET 238 Cb -0.72 -3.30 -0.03 0.00 2.84 0.00 0.00 34.83 33.62 2rdx s MET 238 CO 0.40 0.46 0.01 0.21 -0.65 0.00 0.00 175.02 175.45 2rdx s LYS 239 N -0.11 3.64 -0.17 4.11 2.20 0.07 -0.45 119.74 129.03 2rdx s LYS 239 Ca 0.10 -0.51 -0.08 0.00 -0.36 0.00 0.00 55.97 55.12 2rdx s LYS 239 Cb -0.11 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 2rdx s LYS 239 CO 0.00 0.01 0.10 -0.51 -0.36 0.00 0.00 175.35 174.59 2rdx s LEU 240 N 1.03 4.10 0.00 5.43 1.43 -0.38 -0.33 118.68 129.95 2rdx s LEU 240 Ca 0.02 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 2rdx s LEU 240 Cb -0.14 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.05 2rdx s LEU 240 CO 0.02 0.25 0.00 -0.67 0.23 0.00 0.00 176.35 176.18 2rdx n ASP 241 N 3.05 0.00 0.27 2.29 -0.08 -1.26 -0.30 116.55 120.53 2rdx n ASP 241 Ca -0.17 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.24 2rdx n ASP 241 Cb 0.53 0.00 0.79 0.00 2.34 0.00 0.00 41.12 44.78 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 0.00 0.00 -0.67 3.07 -1.95 -1.79 114.58 113.25 2rdx h GLU 242 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2rdx h GLU 242 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2rdx h GLU 242 CO 0.00 0.07 -0.14 0.00 -1.40 0.00 0.00 179.01 177.54 2rdx n VAL 244 N -1.62 3.94 0.88 0.00 0.31 -0.67 -4.75 118.33 116.42 2rdx n VAL 244 Ca 0.06 -4.03 0.12 0.00 -0.01 0.00 0.00 64.34 60.48 2rdx n VAL 244 Cb 0.35 -2.42 0.24 0.00 -0.91 0.00 0.00 33.84 31.10 2rdx n VAL 244 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2rdx n THR 245 N 5.57 0.09 -3.43 2.52 -2.24 -1.26 -4.67 114.28 110.86 2rdx n THR 245 Ca 0.47 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 62.17 2rdx n THR 245 Cb 0.43 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 1.46 -1.29 0.30 3.38 0.00 -1.26 -4.27 105.19 103.50 2rdx n GLY 246 Ca 0.05 -0.98 -0.05 0.00 0.00 0.00 0.00 46.02 45.04 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 0.83 -0.93 0.99 5.85 -1.94 -1.55 115.31 118.56 2rdx h LEU 247 Ca 0.00 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.43 2rdx h LEU 247 Cb 0.00 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2rdx h LEU 247 CO 0.00 0.86 -0.29 0.45 -0.34 0.00 0.00 178.44 179.12 2rdx h HIS 248 N 0.82 0.49 -0.17 1.25 3.86 -1.99 0.18 115.15 119.59 2rdx h HIS 248 Ca 0.16 -0.11 -0.22 0.00 -1.16 0.00 0.00 60.37 59.04 2rdx h HIS 248 Cb 0.42 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 28.78 2rdx h HIS 248 CO 0.02 0.69 -0.76 1.98 0.86 0.00 0.00 177.93 180.72 2rdx h MET 249 N 0.38 0.81 -0.75 2.45 1.85 -1.89 -2.77 114.93 115.00 2rdx h MET 249 Ca 0.05 -0.65 0.13 0.00 -0.61 0.00 0.00 59.70 58.63 2rdx h MET 249 Cb 0.71 0.13 -0.09 0.00 0.43 0.00 0.00 31.60 32.78 2rdx h MET 249 CO 0.05 1.25 0.33 0.00 -0.40 0.00 0.00 176.91 178.15 2rdx h ALA 250 N 0.57 1.06 -0.58 0.39 0.00 -0.62 -0.25 119.26 119.82 2rdx h ALA 250 Ca -0.05 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2rdx h ALA 250 Cb 1.39 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 2rdx h ALA 250 CO 0.16 -0.16 0.13 1.96 0.00 0.00 0.00 179.25 181.34 2rdx h GLN 251 N 0.50 0.90 -0.26 0.00 4.20 -0.66 -1.98 115.11 117.81 2rdx h GLN 251 Ca 0.40 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.87 2rdx h GLN 251 Cb 0.57 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2rdx h GLN 251 CO -0.37 0.81 -0.03 0.00 -0.67 0.00 0.00 178.83 178.57 2rdx h ARG 252 N 0.86 0.48 -0.68 1.46 3.08 -1.06 -2.22 114.38 116.30 2rdx h ARG 252 Ca 0.19 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2rdx h ARG 252 Cb 0.32 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2rdx h ARG 252 CO -0.00 0.68 0.37 0.82 -1.07 0.00 0.00 179.97 180.77 2rdx h ILE 253 N 0.24 1.21 -0.31 2.04 2.04 -0.88 -1.75 117.51 120.10 2rdx h ILE 253 Ca 0.07 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 2rdx h ILE 253 Cb 0.48 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2rdx h ILE 253 CO 0.02 0.23 -0.04 0.58 0.00 0.00 0.00 178.15 178.94 2rdx h VAL 254 N 0.93 1.27 -0.83 1.67 2.07 -1.42 0.42 116.25 120.37 2rdx h VAL 254 Ca 0.24 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.74 2rdx h VAL 254 Cb 0.04 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 2rdx h VAL 254 CO -0.04 0.34 0.54 0.00 0.02 0.00 0.00 177.57 178.42 2rdx h ALA 255 N 0.82 1.07 -0.00 1.67 0.00 -1.19 -1.18 119.26 120.45 2rdx h ALA 255 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2rdx h ALA 255 Cb 0.51 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2rdx h ALA 255 CO 0.02 0.39 -0.11 -0.25 0.00 0.00 0.00 179.25 179.30 2rdx n ASP 256 N -4.55 0.25 -4.22 0.00 8.00 -0.68 -4.93 116.55 110.43 2rdx n ASP 256 Ca 0.10 -0.16 -0.38 0.00 0.71 0.00 0.00 54.79 55.05 2rdx n ASP 256 Cb 0.06 -0.18 -0.05 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.24 -0.63 -0.22 -1.24 5.12 -0.17 -4.87 116.66 113.41 2rdx n ARG 257 Ca 0.11 0.08 0.05 0.00 -1.93 0.00 0.00 57.85 56.16 2rdx n ARG 257 Cb 0.29 -3.10 0.16 0.00 -1.16 0.00 0.00 32.46 28.66 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 -2.38 0.89 3.50 -0.13 0.00 0.13 -4.88 105.19 102.32 2rdx n GLY 258 Ca -0.23 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.59 -1.63 -0.11 4.61 0.00 -1.26 -4.93 121.76 116.85 2rdx s ALA 259 Ca 0.24 0.55 0.21 0.00 0.00 0.00 0.00 51.96 52.96 2rdx s ALA 259 Cb 0.13 0.74 -0.23 0.00 0.00 0.00 0.00 23.12 23.76 2rdx s ALA 259 CO 0.14 -0.78 0.58 0.39 0.00 0.00 0.00 175.76 176.09 2rdx n GLU 260 N -0.35 0.65 -3.79 0.00 4.71 0.40 -4.92 120.64 117.33 2rdx n GLU 260 Ca -0.13 -0.06 -0.13 0.00 -0.01 0.00 0.00 57.16 56.83 2rdx n GLU 260 Cb 0.63 -1.62 -0.14 0.00 -1.01 0.00 0.00 31.44 29.31 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 -3.28 -0.03 -0.20 -3.67 1.01 -0.69 -4.05 121.20 110.29 2rdx s ILE 261 Ca -0.06 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.65 2rdx s ILE 261 Cb 0.11 -0.18 -0.02 0.00 0.01 0.00 0.00 42.46 42.39 2rdx s ILE 261 CO 0.86 0.04 -0.02 0.00 0.00 0.00 0.00 174.94 175.82 2rdx s LEU 264 N 0.02 4.82 -0.27 0.00 1.43 0.17 -4.69 118.68 120.16 2rdx s LEU 264 Ca 0.38 -2.26 -0.18 0.00 -1.03 0.00 0.00 54.13 51.03 2rdx s LEU 264 Cb -0.20 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 2rdx s LEU 264 CO 0.22 -0.39 0.54 -0.54 0.23 0.00 0.00 176.35 176.40 2rdx s LYS 265 N 0.77 4.02 0.23 1.70 1.02 -1.26 -1.30 119.74 124.92 2rdx s LYS 265 Ca 0.11 0.30 -0.08 0.00 0.02 0.00 0.00 55.97 56.32 2rdx s LYS 265 Cb -0.21 -3.67 0.37 0.00 -0.52 0.00 0.00 37.83 33.80 2rdx s LYS 265 CO -0.06 -0.40 1.67 0.82 -0.92 0.00 0.00 175.35 176.45 2rdx h ILE 266 N 5.43 0.48 0.00 2.17 2.04 -1.60 -0.84 117.51 125.20 2rdx h ILE 266 Ca -0.28 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.41 2rdx h ILE 266 Cb 1.14 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 2rdx h ILE 266 CO 0.73 0.03 -0.50 0.28 0.00 0.00 0.00 178.15 178.70 2rdx h SER 267 N 0.17 0.00 -0.14 1.72 0.02 -1.89 -0.48 113.55 112.94 2rdx h SER 267 Ca 0.37 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.20 2rdx h SER 267 Cb 0.61 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2rdx h SER 267 CO -0.54 0.50 -0.28 -1.13 -1.14 0.00 0.00 176.83 174.24 2rdx h ASN 268 N 0.00 0.63 0.76 3.07 -1.24 -1.62 -3.02 115.58 114.16 2rdx h ASN 268 Ca -0.00 -0.24 0.00 0.00 0.71 0.00 0.00 56.30 56.77 2rdx h ASN 268 Cb 1.33 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 40.20 2rdx h ASN 268 CO 0.06 0.88 -0.09 0.18 -1.29 0.00 0.00 177.43 177.18 2rdx n LEU 269 N -4.09 0.14 0.00 0.34 4.77 -0.44 -4.71 117.00 113.01 2rdx n LEU 269 Ca -0.01 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2rdx n LEU 269 Cb 0.44 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2rdx n LEU 269 CO 0.44 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2rdx n GLY 270 N 1.43 0.99 0.00 -0.72 0.00 -0.87 -4.40 105.19 101.62 2rdx n GLY 270 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 3.05 0.37 -0.02 0.00 -0.24 -4.13 105.19 102.19 2rdx n GLY 271 Ca 0.00 -1.97 0.14 0.00 0.00 0.00 0.00 46.02 44.18 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 0.39 0.19 0.99 5.85 -1.84 -0.37 115.31 120.52 2rdx h LEU 272 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2rdx h LEU 272 Cb 0.00 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2rdx h LEU 272 CO 0.00 0.21 -0.09 0.28 -0.34 0.00 0.00 178.44 178.50 2rdx h SER 273 N 0.42 -0.22 0.90 1.25 0.02 -1.91 -0.56 113.55 113.45 2rdx h SER 273 Ca 0.33 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2rdx h SER 273 Cb 0.72 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.31 2rdx h SER 273 CO -0.10 -0.04 -0.43 2.29 -1.14 0.00 0.00 176.83 177.41 2rdx n LYS 274 N -5.14 0.19 -0.15 3.45 2.85 -1.12 -2.59 118.16 115.65 2rdx n LYS 274 Ca -0.09 0.08 -0.12 0.00 -1.05 0.00 0.00 58.31 57.13 2rdx n LYS 274 Cb 0.17 -1.64 -0.01 0.00 -0.65 0.00 0.00 35.03 32.90 2rdx n LYS 274 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2rdx h ALA 275 N 2.67 0.65 -0.60 0.58 0.00 -1.04 -2.45 119.26 119.07 2rdx h ALA 275 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 2rdx h ALA 275 Cb 0.66 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2rdx h ALA 275 CO 0.00 0.64 0.21 -0.09 0.00 0.00 0.00 179.25 180.01 2rdx h ARG 276 N 0.81 0.92 -0.20 0.00 1.12 -1.05 -0.56 114.38 115.42 2rdx h ARG 276 Ca 0.10 -0.19 -0.14 0.00 -1.11 0.00 0.00 59.98 58.65 2rdx h ARG 276 Cb 0.81 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.62 2rdx h ARG 276 CO 0.07 0.81 -0.45 0.00 -3.11 0.00 0.00 179.97 177.29 2rdx h ARG 277 N 0.85 0.50 -0.18 0.20 3.08 -1.52 -1.08 114.38 116.22 2rdx h ARG 277 Ca 0.20 -0.27 -0.19 0.00 0.07 0.00 0.00 59.98 59.79 2rdx h ARG 277 Cb 0.26 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2rdx h ARG 277 CO -0.01 0.85 -0.65 1.15 -1.07 0.00 0.00 179.97 180.24 2rdx h THR 278 N 0.40 1.31 -0.30 2.04 2.02 -1.31 -1.86 112.91 115.21 2rdx h THR 278 Ca 0.03 -1.90 -0.01 0.00 0.77 0.00 0.00 66.41 65.30 2rdx h THR 278 Cb 0.95 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 69.21 2rdx h THR 278 CO 0.08 0.60 0.16 -0.09 0.37 0.00 0.00 175.52 176.64 2rdx h ARG 279 N 0.49 0.42 -0.43 6.66 2.43 -1.01 -1.71 114.38 121.22 2rdx h ARG 279 Ca -0.01 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 2rdx h ARG 279 Cb 1.24 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 2rdx h ARG 279 CO 0.13 0.37 0.00 -0.44 -1.51 0.00 0.00 179.97 178.52 2rdx h ASP 280 N 0.36 0.67 -0.31 -3.80 5.19 -1.15 -0.62 116.42 116.76 2rdx h ASP 280 Ca 0.10 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 2rdx h ASP 280 Cb 0.08 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 2rdx h ASP 280 CO -0.02 0.74 0.16 0.15 -3.12 0.00 0.00 179.24 177.15 2rdx h PHE 281 N 0.66 0.43 -0.12 4.55 3.57 -1.22 -2.15 116.94 122.67 2rdx h PHE 281 Ca 0.13 -0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.41 2rdx h PHE 281 Cb 0.41 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 39.02 2rdx h PHE 281 CO 0.02 0.36 -0.78 -0.07 -2.23 0.00 0.00 178.31 175.61 2rdx h LEU 282 N 0.37 0.78 -0.71 0.59 3.38 -0.88 -1.97 115.31 116.86 2rdx h LEU 282 Ca 0.11 -0.52 -0.09 0.00 0.09 0.00 0.00 57.88 57.47 2rdx h LEU 282 Cb 0.08 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2rdx h LEU 282 CO -0.02 1.30 -0.05 0.40 0.09 0.00 0.00 178.44 180.17 2rdx h ILE 283 N 0.44 1.26 0.00 1.22 2.04 -1.19 0.23 117.51 121.51 2rdx h ILE 283 Ca -0.05 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.66 2rdx h ILE 283 Cb 1.39 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 2rdx h ILE 283 CO 0.15 0.41 0.00 0.44 0.00 0.00 0.00 178.15 179.15 2rdx h ASP 284 N 0.86 0.00 -0.63 1.72 5.19 -1.26 -0.14 116.42 122.15 2rdx h ASP 284 Ca 0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 2rdx h ASP 284 Cb 0.57 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.08 2rdx h ASP 284 CO 0.03 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.74 2rdx n ASN 285 N -2.79 3.64 -2.76 6.45 3.02 -0.75 -4.97 115.26 117.10 2rdx n ASN 285 Ca 0.02 -1.99 -0.19 0.00 -0.03 0.00 0.00 54.58 52.38 2rdx n ASN 285 Cb 0.32 -0.42 0.05 0.00 -0.61 0.00 0.00 39.78 39.12 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 1.51 -5.17 -3.57 3.52 1.74 -0.07 -5.00 116.66 109.63 2rdx n ARG 286 Ca 0.22 0.73 -0.38 0.00 -0.77 0.00 0.00 57.85 57.65 2rdx n ARG 286 Cb 0.59 -5.29 -0.10 0.00 -1.02 0.00 0.00 32.46 26.63 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 -5.75 4.00 0.44 5.56 1.75 0.66 -5.00 119.30 120.96 2rdx s MET 287 Ca 0.35 -0.23 -0.25 0.00 -1.25 0.00 0.00 55.69 54.31 2rdx s MET 287 Cb -0.16 -3.63 -0.09 0.00 2.84 0.00 0.00 34.83 33.80 2rdx s MET 287 CO 0.44 -0.13 1.40 -2.30 -0.65 0.00 0.00 175.02 173.78 2rdx n PRO 288 N 4.90 2.21 -4.19 4.11 -0.02 -1.26 -4.22 135.00 136.53 2rdx n PRO 288 Ca -0.13 0.78 -0.16 0.00 -2.02 0.00 0.00 63.50 61.97 2rdx n PRO 288 Cb 0.52 -2.59 -0.11 0.00 -0.02 0.00 0.00 33.50 31.30 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 -1.19 1.07 -0.19 -1.45 -7.23 0.17 -1.68 120.40 109.90 2rdx s VAL 289 Ca 0.61 -1.53 -0.04 0.00 -1.81 0.00 0.00 61.98 59.21 2rdx s VAL 289 Cb -0.46 -1.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.18 2rdx s VAL 289 CO 0.58 -0.41 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.24 2rdx s VAL 290 N -1.95 3.73 -0.44 1.32 1.01 -0.46 -1.09 120.40 122.52 2rdx s VAL 290 Ca 0.03 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 2rdx s VAL 290 Cb -0.06 -2.67 0.07 0.00 0.00 0.00 0.00 36.38 33.73 2rdx s VAL 290 CO 0.02 0.45 0.32 0.00 0.00 0.00 0.00 175.10 175.89 2rdx s ALA 291 N 0.92 3.42 0.00 5.51 0.00 -1.06 0.41 121.76 130.96 2rdx s ALA 291 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 51.96 49.84 2rdx s ALA 291 Cb -0.14 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2rdx s ALA 291 CO 0.01 -1.68 0.00 -0.85 0.00 0.00 0.00 175.76 173.24 2rdx n GLU 292 N 5.05 0.00 -3.90 0.00 0.28 -0.42 -4.44 120.64 117.22 2rdx n GLU 292 Ca -0.11 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.80 2rdx n GLU 292 Cb 0.43 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.29 2rdx n GLU 292 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2rdx s ASP 293 N 1.61 -0.02 0.08 -1.84 -1.08 -1.26 -1.46 116.67 112.69 2rdx s ASP 293 Ca 0.00 -0.93 -0.36 0.00 -0.52 0.00 0.00 52.55 50.74 2rdx s ASP 293 Cb 0.00 0.73 -0.18 0.00 -1.46 0.00 0.00 42.92 42.01 2rdx s ASP 293 CO 0.00 -1.41 1.57 0.77 0.52 0.00 0.00 175.17 176.63 2rdx h SER 294 N 2.06 -1.27 -2.48 -0.34 4.64 -1.91 -3.47 113.55 110.78 2rdx h SER 294 Ca -0.25 0.09 0.09 0.00 -0.47 0.00 0.00 61.79 61.24 2rdx h SER 294 Cb 1.25 0.40 -0.01 0.00 -0.31 0.00 0.00 62.40 63.72 2rdx h SER 294 CO 0.33 -0.69 0.44 1.87 -0.87 0.00 0.00 176.83 177.90 2rdx n TRP 295 N -5.58 -1.59 0.00 4.77 -0.00 -1.16 -4.55 117.44 109.32 2rdx n TRP 295 Ca -0.13 -1.31 0.00 0.00 -0.00 0.00 0.00 57.50 56.05 2rdx n TRP 295 Cb 0.47 0.65 0.00 0.00 -0.00 0.00 0.00 31.31 32.43 2rdx n TRP 295 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2rdx n GLY 296 N -0.59 0.72 0.00 5.87 0.00 -1.26 -4.46 105.19 105.47 2rdx n GLY 296 Ca -0.04 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.62 1.78 0.18 -0.02 0.00 -1.26 -3.24 105.19 102.01 2rdx n GLY 297 Ca 0.00 -1.81 0.04 0.00 0.00 0.00 0.00 46.02 44.25 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 0.00 0.12 1.61 3.07 -1.90 -2.31 114.58 115.17 2rdx h GLU 298 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2rdx h GLU 298 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2rdx h GLU 298 CO 0.00 0.41 -0.06 0.82 -1.40 0.00 0.00 179.01 178.78 2rdx h ILE 299 N 0.00 0.97 -0.70 3.13 2.04 -1.90 -1.63 117.51 119.42 2rdx h ILE 299 Ca -0.00 -1.27 0.04 0.00 1.00 0.00 0.00 64.86 64.63 2rdx h ILE 299 Cb 0.83 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 38.52 2rdx h ILE 299 CO 0.05 0.26 0.42 0.00 0.00 0.00 0.00 178.15 178.89 2rdx h ALA 300 N -0.23 0.93 -0.52 1.87 0.00 -1.82 -2.80 119.26 116.70 2rdx h ALA 300 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2rdx h ALA 300 Cb 0.55 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2rdx h ALA 300 CO 0.03 0.16 0.23 0.77 0.00 0.00 0.00 179.25 180.44 2rdx h SER 301 N 0.80 0.66 -0.76 0.00 0.02 -1.44 -1.54 113.55 111.29 2rdx h SER 301 Ca 0.30 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 2rdx h SER 301 Cb 0.10 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 2rdx h SER 301 CO -0.14 0.58 0.30 0.00 -1.14 0.00 0.00 176.83 176.42 2rdx h ALA 302 N 1.52 0.99 -0.36 3.77 0.00 -1.03 0.17 119.26 124.33 2rdx h ALA 302 Ca 0.18 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2rdx h ALA 302 Cb 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2rdx h ALA 302 CO -0.02 0.62 -0.21 0.00 0.00 0.00 0.00 179.25 179.64 2rdx h ALA 303 N 1.15 0.95 -0.29 0.00 0.00 -1.30 -2.49 119.26 117.27 2rdx h ALA 303 Ca 0.25 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2rdx h ALA 303 Cb 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2rdx h ALA 303 CO -0.02 0.61 0.10 0.28 0.00 0.00 0.00 179.25 180.22 2rdx h VAL 304 N 0.62 1.19 -0.19 0.00 2.07 -0.78 -1.83 116.25 117.33 2rdx h VAL 304 Ca 0.09 -0.60 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 2rdx h VAL 304 Cb 0.70 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2rdx h VAL 304 CO 0.05 0.20 -0.27 0.00 0.02 0.00 0.00 177.57 177.58 2rdx h ALA 305 N 0.94 1.20 -0.30 1.67 0.00 -0.59 0.55 119.26 122.73 2rdx h ALA 305 Ca 0.10 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 2rdx h ALA 305 Cb 0.22 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2rdx h ALA 305 CO -0.01 0.52 -0.50 0.45 0.00 0.00 0.00 179.25 179.71 2rdx h HIS 306 N 0.31 1.09 -0.62 0.00 3.86 -1.43 -1.20 115.15 117.16 2rdx h HIS 306 Ca 0.05 -0.38 0.01 0.00 -1.16 0.00 0.00 60.37 58.89 2rdx h HIS 306 Cb 0.64 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.87 2rdx h HIS 306 CO 0.02 1.21 0.41 0.35 0.86 0.00 0.00 177.93 180.77 2rdx h PHE 307 N 0.66 0.77 -0.29 2.45 3.57 -0.96 -2.45 116.94 120.69 2rdx h PHE 307 Ca 0.02 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.39 2rdx h PHE 307 Cb 1.11 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 2rdx h PHE 307 CO 0.07 0.48 -0.41 0.00 -2.23 0.00 0.00 178.31 176.22 2rdx h ALA 308 N 1.24 0.44 0.00 2.41 0.00 -0.88 -3.13 119.26 119.33 2rdx h ALA 308 Ca 0.23 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2rdx h ALA 308 Cb -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2rdx h ALA 308 CO -0.06 0.55 -0.14 0.00 0.00 0.00 0.00 179.25 179.59 2rdx h ALA 309 N 0.68 1.20 -0.61 0.00 0.00 -1.12 -2.16 119.26 117.26 2rdx h ALA 309 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2rdx h ALA 309 Cb 1.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2rdx h ALA 309 CO 0.09 0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.39 2rdx n SER 310 N -3.55 3.33 -4.70 0.00 3.41 -0.93 -0.31 113.62 110.85 2rdx n SER 310 Ca -0.01 -2.00 -0.37 0.00 -0.26 0.00 0.00 58.87 56.24 2rdx n SER 310 Cb 0.29 -0.41 -0.08 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.18 5.31 -0.01 6.66 2.01 -0.81 -4.74 115.64 122.88 2rdx s THR 311 Ca 0.42 0.44 -0.37 0.00 0.31 0.00 0.00 61.69 62.48 2rdx s THR 311 Cb 0.22 -3.60 -0.16 0.00 0.01 0.00 0.00 72.50 68.97 2rdx s THR 311 CO 0.29 0.36 1.48 -2.65 -0.69 0.00 0.00 174.62 173.41 2rdx n PRO 312 N 3.91 1.28 0.29 4.92 -0.02 -1.26 -3.44 135.00 140.68 2rdx n PRO 312 Ca -0.12 0.46 0.18 0.00 -2.02 0.00 0.00 63.50 62.00 2rdx n PRO 312 Cb 0.52 -2.14 0.86 0.00 -0.02 0.00 0.00 33.50 32.72 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 5.53 0.00 -0.32 -0.52 4.11 -1.84 -1.67 114.58 119.86 2rdx h GLU 313 Ca -0.47 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 58.87 2rdx h GLU 313 Cb 1.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 2rdx h GLU 313 CO 0.84 0.03 -0.16 1.49 0.07 0.00 0.00 179.01 181.28 2rdx h GLU 314 N 0.00 0.58 -0.01 1.06 4.81 -1.88 -3.29 114.58 115.85 2rdx h GLU 314 Ca -0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2rdx h GLU 314 Cb 0.32 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2rdx h GLU 314 CO 0.00 0.72 -0.41 1.19 -0.73 0.00 0.00 179.01 179.79 2rdx n PHE 315 N -4.16 0.00 -2.66 0.92 3.72 -0.80 -4.88 117.46 109.60 2rdx n PHE 315 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.98 2rdx n PHE 315 Cb 0.37 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.88 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 -2.14 3.68 0.00 4.37 2.96 -0.70 -0.66 118.68 126.19 2rdx s LEU 316 Ca 0.09 0.11 -0.23 0.00 -0.22 0.00 0.00 54.13 53.88 2rdx s LEU 316 Cb 0.11 -3.20 -0.13 0.00 0.50 0.00 0.00 46.19 43.46 2rdx s LEU 316 CO 0.42 -1.33 1.00 0.40 -1.32 0.00 0.00 176.35 175.52 2rdx h ILE 317 N 6.14 0.00 -2.93 6.68 1.08 -1.44 -3.47 117.51 123.58 2rdx h ILE 317 Ca -0.25 -0.33 0.08 0.00 -0.39 0.00 0.00 64.86 63.97 2rdx h ILE 317 Cb 1.06 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.76 2rdx h ILE 317 CO 1.14 0.00 0.26 0.54 -0.69 0.00 0.00 178.15 179.39 2rdx s ASN 318 N -4.43 -0.25 0.19 1.72 2.20 -1.26 -4.72 114.94 108.39 2rdx s ASN 318 Ca -0.12 -0.58 0.02 0.00 -0.94 0.00 0.00 52.86 51.24 2rdx s ASN 318 Cb 0.01 0.70 -0.01 0.00 -2.00 0.00 0.00 41.25 39.96 2rdx s ASN 318 CO 0.37 -1.30 0.08 -0.24 -2.94 0.00 0.00 177.10 173.07 2rdx n SER 319 N -0.46 0.78 -3.93 3.54 2.88 -0.13 -2.56 113.62 113.73 2rdx n SER 319 Ca -0.04 -2.04 -0.09 0.00 -1.33 0.00 0.00 58.87 55.37 2rdx n SER 319 Cb 0.59 0.56 -0.09 0.00 -0.75 0.00 0.00 64.21 64.52 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 -2.35 0.15 -1.25 2.46 -1.32 -1.26 -2.67 115.64 109.40 2rdx s THR 320 Ca 0.12 -1.20 -0.12 0.00 -1.21 0.00 0.00 61.69 59.28 2rdx s THR 320 Cb 0.01 -1.08 0.17 0.00 -1.51 0.00 0.00 72.50 70.08 2rdx s THR 320 CO 0.08 -0.66 1.64 -0.90 -2.21 0.00 0.00 174.62 172.57 2rdx n ASP 321 N 0.49 5.15 -0.28 8.08 5.75 -1.26 -4.86 116.55 129.62 2rdx n ASP 321 Ca -0.17 -3.03 0.17 0.00 -0.01 0.00 0.00 54.79 51.74 2rdx n ASP 321 Cb 0.60 -1.54 0.44 0.00 -1.03 0.00 0.00 41.12 39.59 2rdx n ASP 321 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2rdx h LEU 322 N 9.00 0.54 -1.75 -2.12 3.38 -1.92 -1.68 115.31 120.76 2rdx h LEU 322 Ca 0.36 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.35 2rdx h LEU 322 Cb 0.77 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 2rdx h LEU 322 CO 1.42 0.22 -0.15 0.00 0.09 0.00 0.00 178.44 180.02 2rdx h MET 323 N 0.54 0.00 -0.07 1.13 -0.00 -1.73 -2.40 114.93 112.40 2rdx h MET 323 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.20 2rdx h MET 323 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.65 2rdx h MET 323 CO -0.24 0.15 0.00 0.09 -0.00 0.00 0.00 176.91 176.91 2rdx n ASN 324 N -3.61 0.73 -0.86 -0.10 3.02 -0.63 -3.40 115.26 110.41 2rdx n ASN 324 Ca -0.01 -1.54 0.12 0.00 -0.03 0.00 0.00 54.58 53.11 2rdx n ASN 324 Cb 0.28 -0.04 0.27 0.00 -0.61 0.00 0.00 39.78 39.68 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 -0.30 0.23 -4.47 3.10 4.02 -0.90 -4.91 117.16 113.93 2rdx n TYR 325 Ca 0.15 -0.12 -0.24 0.00 -0.01 0.00 0.00 57.90 57.69 2rdx n TYR 325 Cb 0.18 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.40 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 -1.71 3.47 0.11 7.72 0.01 -1.22 -1.93 114.94 121.39 2rdx s ASN 326 Ca 0.34 -1.08 0.22 0.00 -0.71 0.00 0.00 52.86 51.63 2rdx s ASN 326 Cb 0.20 -0.29 -0.12 0.00 0.41 0.00 0.00 41.25 41.46 2rdx s ASN 326 CO 0.30 -0.07 0.83 0.35 -1.51 0.00 0.00 177.10 177.01 2rdx n THR 327 N -0.64 0.52 -4.40 1.60 -2.24 -0.11 -4.73 114.28 104.28 2rdx n THR 327 Ca -0.05 -0.56 -0.26 0.00 -2.27 0.00 0.00 64.05 60.90 2rdx n THR 327 Cb 0.61 -0.28 -0.09 0.00 -2.10 0.00 0.00 70.33 68.46 2rdx n THR 327 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2rdx s ARG 328 N -3.34 2.07 0.22 -0.78 0.52 -1.26 -5.02 118.95 111.36 2rdx s ARG 328 Ca -0.03 -1.98 0.11 0.00 -0.52 0.00 0.00 55.73 53.31 2rdx s ARG 328 Cb 0.11 -1.80 -0.05 0.00 0.52 0.00 0.00 34.95 33.73 2rdx s ARG 328 CO 0.83 -0.07 -0.17 -1.12 0.02 0.00 0.00 175.30 174.79 2rdx s SER 329 N -3.79 3.79 -0.03 0.23 0.01 -1.26 -4.92 113.70 107.73 2rdx s SER 329 Ca 0.38 -0.82 0.10 0.00 1.31 0.00 0.00 55.95 56.92 2rdx s SER 329 Cb 0.07 -0.44 -0.15 0.00 0.21 0.00 0.00 66.02 65.71 2rdx s SER 329 CO 0.20 0.08 0.18 0.35 0.41 0.00 0.00 173.24 174.46 2rdx n THR 330 N -0.15 0.14 -3.94 1.44 -2.24 -1.26 -4.74 114.28 103.53 2rdx n THR 330 Ca -0.09 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.33 2rdx n THR 330 Cb 0.57 0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.78 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 -3.37 0.41 -0.20 3.38 0.00 -1.26 -1.53 107.32 104.75 2rdx s GLY 331 Ca -0.04 -0.84 -0.10 0.00 0.00 0.00 0.00 44.72 43.75 2rdx s GLY 331 CO 0.41 -0.83 0.12 1.08 0.00 0.00 0.00 173.10 173.89 2rdx s LEU 332 N -2.95 4.15 0.00 0.66 2.01 0.73 -4.72 118.68 118.57 2rdx s LEU 332 Ca 0.15 0.20 0.00 0.00 0.01 0.00 0.00 54.13 54.49 2rdx s LEU 332 Cb 0.04 -2.08 0.00 0.00 0.01 0.00 0.00 46.19 44.16 2rdx s LEU 332 CO -0.02 0.17 0.00 0.61 1.01 0.00 0.00 176.35 178.12 2rdx n GLY 333 N 3.59 1.03 6.66 -3.19 0.00 -1.26 -1.95 105.19 110.07 2rdx n GLY 333 Ca -0.16 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.71 3.89 -0.02 0.00 -0.64 -4.96 105.19 101.76 2rdx n GLY 334 Ca 0.00 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 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 2.96 0.10 1.61 0.04 -1.26 -4.74 135.00 133.71 2rdx s PRO 335 Ca 0.00 0.35 0.09 0.00 0.04 0.00 0.00 61.00 61.49 2rdx s PRO 335 Cb 0.00 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2rdx s PRO 335 CO 0.00 -0.88 -0.22 0.95 0.04 0.00 0.00 177.00 176.90 2rdx s THR 336 N -3.22 2.58 -0.12 1.26 -4.23 -0.85 -4.99 115.64 106.07 2rdx s THR 336 Ca 0.56 -1.54 -0.00 0.00 -1.18 0.00 0.00 61.69 59.53 2rdx s THR 336 Cb -0.11 -2.14 -0.02 0.00 1.34 0.00 0.00 72.50 71.57 2rdx s THR 336 CO 0.50 0.15 -0.10 0.54 -0.54 0.00 0.00 174.62 175.17 2rdx s VAL 337 N -1.06 3.34 -0.03 2.29 0.11 -1.26 -0.09 120.40 123.70 2rdx s VAL 337 Ca 0.16 -0.57 -0.01 0.00 -2.93 0.00 0.00 61.98 58.63 2rdx s VAL 337 Cb -0.10 -2.40 0.03 0.00 -1.53 0.00 0.00 36.38 32.37 2rdx s VAL 337 CO 0.07 0.53 0.04 -2.28 -3.33 0.00 0.00 175.10 170.13 2rdx s HIS 338 N 0.08 0.11 -1.38 1.54 2.46 -0.80 -4.92 115.29 112.38 2rdx s HIS 338 Ca -0.04 0.15 -0.04 0.00 0.47 0.00 0.00 55.06 55.61 2rdx s HIS 338 Cb -0.14 -0.38 0.02 0.00 -0.13 0.00 0.00 32.58 31.95 2rdx s HIS 338 CO 0.04 -0.15 0.74 1.04 -2.47 0.00 0.00 174.74 173.94 2rdx n GLN 339 N 4.68 -4.85 -1.08 2.88 6.02 -1.26 -2.56 117.38 121.20 2rdx n GLN 339 Ca -0.17 0.59 -0.03 0.00 -0.01 0.00 0.00 57.00 57.38 2rdx n GLN 339 Cb 0.50 -5.17 -0.01 0.00 1.02 0.00 0.00 30.24 26.57 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 -1.65 0.60 3.12 1.08 0.00 -1.26 -4.95 105.19 102.13 2rdx n GLY 340 Ca -0.21 -0.69 -0.20 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 -1.83 0.95 -0.19 1.61 0.52 -1.06 -2.31 118.95 116.64 2rdx s ARG 341 Ca 0.00 -0.67 -0.20 0.00 -0.52 0.00 0.00 55.73 54.34 2rdx s ARG 341 Cb 0.00 -0.94 -0.03 0.00 0.52 0.00 0.00 34.95 34.50 2rdx s ARG 341 CO 0.00 0.24 0.59 -1.17 0.02 0.00 0.00 175.30 174.98 2rdx s LEU 342 N -0.90 4.16 -0.17 2.53 2.96 0.64 -1.90 118.68 126.01 2rdx s LEU 342 Ca 0.02 0.79 -0.02 0.00 -0.22 0.00 0.00 54.13 54.70 2rdx s LEU 342 Cb -0.07 -2.83 -0.02 0.00 0.50 0.00 0.00 46.19 43.78 2rdx s LEU 342 CO 0.01 -0.22 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.43 2rdx s TYR 343 N 1.71 2.92 0.70 5.38 2.02 0.87 -1.39 117.35 129.57 2rdx s TYR 343 Ca 0.27 -0.64 -0.11 0.00 -0.37 0.00 0.00 57.07 56.22 2rdx s TYR 343 Cb -0.16 -1.96 0.01 0.00 -0.40 0.00 0.00 41.96 39.46 2rdx s TYR 343 CO 0.10 -0.27 1.06 0.00 -1.57 0.00 0.00 175.55 174.88 2rdx s ALA 344 N 0.72 2.63 0.51 3.71 0.00 -1.26 -2.00 121.76 126.08 2rdx s ALA 344 Ca -0.04 0.11 -0.17 0.00 0.00 0.00 0.00 51.96 51.86 2rdx s ALA 344 Cb -0.15 -3.19 -0.08 0.00 0.00 0.00 0.00 23.12 19.71 2rdx s ALA 344 CO 0.02 -1.28 1.00 -1.12 0.00 0.00 0.00 175.76 174.38 2rdx s SER 345 N -3.74 6.48 0.00 0.00 0.01 -1.26 -4.86 113.70 110.33 2rdx s SER 345 Ca 0.58 1.67 0.12 0.00 1.31 0.00 0.00 55.95 59.64 2rdx s SER 345 Cb -0.14 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.60 2rdx s SER 345 CO 0.55 -0.69 0.77 0.47 0.41 0.00 0.00 173.24 174.76 2rdx n ASP 346 N -1.47 1.61 -4.83 2.44 8.00 -1.26 -4.83 116.55 116.22 2rdx n ASP 346 Ca 0.07 -1.31 -0.33 0.00 0.71 0.00 0.00 54.79 53.94 2rdx n ASP 346 Cb 0.54 0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 41.85 2rdx n ASP 346 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2rdx s THR 347 N -1.31 4.51 0.14 -3.53 -4.23 -1.26 -4.28 115.64 105.67 2rdx s THR 347 Ca 0.12 1.27 -0.31 0.00 -1.18 0.00 0.00 61.69 61.58 2rdx s THR 347 Cb 0.10 -3.61 -0.18 0.00 1.34 0.00 0.00 72.50 70.15 2rdx s THR 347 CO 0.24 -0.28 0.67 -2.65 -0.54 0.00 0.00 174.62 172.06 2rdx n PRO 348 N -0.56 0.00 0.00 3.99 -0.02 -1.26 -3.87 135.00 133.28 2rdx n PRO 348 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2rdx n PRO 348 Cb 0.54 -1.14 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 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 1.85 -0.51 0.10 -1.23 0.00 -0.60 -3.92 105.19 100.88 2rdx n GLY 349 Ca 0.18 -1.13 0.13 0.00 0.00 0.00 0.00 46.02 45.20 2rdx n GLY 349 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rdx n LEU 350 N 0.00 0.73 -0.48 0.99 4.77 -1.26 -2.42 117.00 119.32 2rdx n LEU 350 Ca 0.00 0.58 -0.05 0.00 -0.03 0.00 0.00 56.01 56.51 2rdx n LEU 350 Cb 0.00 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.70 2rdx n LEU 350 CO 0.00 -0.23 -0.06 0.61 -1.33 0.00 0.00 177.39 176.38 2rdx n GLY 351 N 1.10 0.48 3.07 -0.72 0.00 -1.25 -4.79 105.19 103.07 2rdx n GLY 351 Ca 0.05 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.22 -0.01 0.25 1.61 0.11 -1.26 -1.62 120.40 117.26 2rdx s VAL 352 Ca 0.00 0.03 0.12 0.00 -2.93 0.00 0.00 61.98 59.20 2rdx s VAL 352 Cb 0.00 -0.30 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 2rdx s VAL 352 CO 0.00 0.01 -0.21 0.42 -3.33 0.00 0.00 175.10 171.99 2rdx s THR 353 N 0.33 2.40 0.67 5.04 -4.23 -0.82 -4.83 115.64 114.20 2rdx s THR 353 Ca -0.02 -2.27 -0.15 0.00 -1.18 0.00 0.00 61.69 58.07 2rdx s THR 353 Cb -0.03 -2.22 0.01 0.00 1.34 0.00 0.00 72.50 71.59 2rdx s THR 353 CO -0.01 -0.31 1.13 -2.84 -0.54 0.00 0.00 174.62 172.05 2rdx s PRO 354 N -3.22 2.66 -1.06 3.99 0.02 -1.26 -0.19 135.00 135.93 2rdx s PRO 354 Ca 0.26 1.49 -0.06 0.00 0.02 0.00 0.00 61.00 62.71 2rdx s PRO 354 Cb -0.06 -1.92 0.28 0.00 0.02 0.00 0.00 34.50 32.81 2rdx s PRO 354 CO 0.13 -1.38 1.13 -3.47 -0.33 0.00 0.00 177.00 173.08 2rdx n ASP 355 N -2.45 5.46 0.26 2.53 -0.08 -0.58 -4.34 116.55 117.34 2rdx n ASP 355 Ca 0.11 -3.15 0.10 0.00 -1.51 0.00 0.00 54.79 50.35 2rdx n ASP 355 Cb 0.52 -1.28 0.71 0.00 2.34 0.00 0.00 41.12 43.40 2rdx n ASP 355 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2rdx h PHE 356 N 6.21 0.00 -0.69 -0.67 0.04 -1.92 -0.04 116.94 119.86 2rdx h PHE 356 Ca 0.18 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.89 2rdx h PHE 356 Cb 0.80 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.92 2rdx h PHE 356 CO 0.80 0.00 0.17 -0.91 -0.60 0.00 0.00 178.31 177.77 2rdx h ASN 357 N 0.00 1.05 0.05 2.17 4.21 -1.90 -2.17 115.58 118.98 2rdx h ASN 357 Ca 0.01 -0.23 -0.23 0.00 1.21 0.00 0.00 56.30 57.06 2rdx h ASN 357 Cb 0.06 -0.28 0.02 0.00 -1.12 0.00 0.00 38.32 37.00 2rdx h ASN 357 CO -0.00 1.00 -0.92 0.28 -1.29 0.00 0.00 177.43 176.51 2rdx h SER 358 N 1.04 0.72 1.31 5.81 0.02 -1.48 -3.33 113.55 117.63 2rdx h SER 358 Ca 0.22 -0.79 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2rdx h SER 358 Cb 0.36 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2rdx h SER 358 CO 0.00 1.43 0.00 -0.07 -1.14 0.00 0.00 176.83 177.05 2rdx h LEU 359 N 0.10 0.00 0.00 5.07 3.38 -1.08 -3.48 115.31 119.31 2rdx h LEU 359 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2rdx h LEU 359 Cb 1.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.37 2rdx h LEU 359 CO 0.18 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.32 2rdx n GLY 360 N 0.35 0.03 3.77 0.83 0.00 -0.82 -4.31 105.19 105.04 2rdx n GLY 360 Ca 0.02 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.49 3.24 0.39 4.61 0.00 -1.26 -4.86 121.76 122.39 2rdx s ALA 361 Ca 0.00 0.72 -0.27 0.00 0.00 0.00 0.00 51.96 52.41 2rdx s ALA 361 Cb 0.00 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 2rdx s ALA 361 CO 0.00 -0.07 1.34 -1.25 0.00 0.00 0.00 175.76 175.78 2rdx s PRO 362 N -1.93 4.04 0.41 0.00 0.04 -1.26 -4.76 135.00 131.54 2rdx s PRO 362 Ca 0.50 2.25 0.23 0.00 0.04 0.00 0.00 61.00 64.02 2rdx s PRO 362 Cb -0.25 -2.84 0.30 0.00 0.04 0.00 0.00 34.50 31.74 2rdx s PRO 362 CO 0.31 -0.46 1.55 -0.39 0.04 0.00 0.00 177.00 178.05 2rdx h VAL 363 N 2.64 0.03 -2.86 -0.36 -1.51 -0.11 -3.46 116.25 110.62 2rdx h VAL 363 Ca -0.50 -1.04 -0.11 0.00 -1.23 0.00 0.00 66.70 63.82 2rdx h VAL 363 Cb 1.24 1.96 -0.21 0.00 -2.13 0.00 0.00 31.29 32.16 2rdx h VAL 363 CO 0.63 0.02 -0.21 0.00 -1.23 0.00 0.00 177.57 176.78 2rdx s ALA 364 N -3.22 -0.94 -0.22 5.19 0.00 -1.20 -5.01 121.76 116.37 2rdx s ALA 364 Ca 0.06 0.58 -0.04 0.00 0.00 0.00 0.00 51.96 52.57 2rdx s ALA 364 Cb 0.06 -0.05 0.11 0.00 0.00 0.00 0.00 23.12 23.23 2rdx s ALA 364 CO 0.68 -0.26 0.36 0.34 0.00 0.00 0.00 175.76 176.88 2rdx s ASP 365 N -1.05 0.28 -0.20 0.00 3.68 -1.26 -0.79 116.67 117.31 2rdx s ASP 365 Ca -0.11 0.37 -0.04 0.00 2.13 0.00 0.00 52.55 54.90 2rdx s ASP 365 Cb -0.04 1.04 -0.02 0.00 -1.45 0.00 0.00 42.92 42.45 2rdx s ASP 365 CO 0.04 -0.28 -0.02 0.26 0.13 0.00 0.00 175.17 175.30 2rdx s TRP 366 N 2.52 2.99 0.01 -5.34 0.51 0.66 -5.00 118.94 115.29 2rdx s TRP 366 Ca 0.08 -0.64 0.03 0.00 -2.12 0.00 0.00 56.10 53.44 2rdx s TRP 366 Cb -0.14 -2.08 -0.01 0.00 -0.81 0.00 0.00 33.47 30.43 2rdx s TRP 366 CO -0.14 -0.35 -0.09 0.00 -0.51 0.00 0.00 176.95 175.86 2rdx s ALA 367 N 1.13 0.76 0.06 0.98 0.00 -1.26 -0.12 121.76 123.32 2rdx s ALA 367 Ca 0.02 -0.52 -0.30 0.00 0.00 0.00 0.00 51.96 51.16 2rdx s ALA 367 Cb -0.15 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 2rdx s ALA 367 CO 0.00 0.15 1.15 -0.51 0.00 0.00 0.00 175.76 176.55 2rdx s LEU 368 N -0.61 4.38 1.04 0.00 1.43 0.12 -5.01 118.68 120.04 2rdx s LEU 368 Ca 0.01 1.96 -0.12 0.00 -1.03 0.00 0.00 54.13 54.94 2rdx s LEU 368 Cb -0.05 -3.58 0.21 0.00 0.03 0.00 0.00 46.19 42.80 2rdx s LEU 368 CO 0.00 -0.41 1.07 -2.84 0.23 0.00 0.00 176.35 174.41 2rdx s PRO 369 N 0.92 0.05 0.49 1.29 0.02 -1.26 -4.94 135.00 131.57 2rdx s PRO 369 Ca 0.57 1.00 0.20 0.00 0.02 0.00 0.00 61.00 62.78 2rdx s PRO 369 Cb -0.28 -1.66 1.26 0.00 0.02 0.00 0.00 34.50 33.85 2rdx s PRO 369 CO 0.29 -3.12 2.07 1.49 -0.33 0.00 0.00 177.00 177.40 2rdx h GLU 370 N -2.19 0.00 0.00 5.54 4.57 -2.02 -3.54 114.58 116.94 2rdx h GLU 370 Ca -0.54 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.64 2rdx h GLU 370 Cb 1.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 2rdx h GLU 370 CO 0.49 0.12 0.00 0.41 -1.18 0.00 0.00 179.01 178.86