#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 0.15 -0.01 2.46 2.96 -1.26 -4.96 118.68 118.02 2rdx s LEU 1 Ca 0.00 0.82 0.01 0.00 -0.22 0.00 0.00 54.13 54.74 2rdx s LEU 1 Cb 0.00 1.71 0.01 0.00 0.50 0.00 0.00 46.19 48.41 2rdx s LEU 1 CO 0.00 -0.26 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.60 2rdx s ARG 2 N -0.15 0.45 0.01 1.98 0.52 -1.26 -3.84 118.95 116.66 2rdx s ARG 2 Ca -0.03 -0.12 -0.30 0.00 -0.52 0.00 0.00 55.73 54.75 2rdx s ARG 2 Cb -0.03 -0.47 -0.06 0.00 0.52 0.00 0.00 34.95 34.91 2rdx s ARG 2 CO 0.02 0.04 1.42 0.42 0.02 0.00 0.00 175.30 177.22 2rdx s ILE 3 N 0.24 3.64 -0.10 1.52 1.01 0.15 -1.97 121.20 125.69 2rdx s ILE 3 Ca -0.02 1.04 0.11 0.00 0.00 0.00 0.00 60.65 61.77 2rdx s ILE 3 Cb -0.06 -3.67 -0.16 0.00 0.01 0.00 0.00 42.46 38.58 2rdx s ILE 3 CO -0.00 0.00 0.28 0.35 0.00 0.00 0.00 174.94 175.56 2rdx n THR 4 N 4.63 0.00 -3.68 2.92 -2.24 -0.06 0.39 114.28 116.25 2rdx n THR 4 Ca 0.13 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 2rdx n THR 4 Cb 0.43 0.37 -0.09 0.00 -2.10 0.00 0.00 70.33 68.95 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 -2.63 0.61 -0.10 -0.78 3.52 -1.19 -0.91 118.95 117.46 2rdx s ARG 5 Ca -0.03 0.85 0.02 0.00 -0.13 0.00 0.00 55.73 56.45 2rdx s ARG 5 Cb 0.07 0.22 0.01 0.00 -1.56 0.00 0.00 34.95 33.69 2rdx s ARG 5 CO 0.45 -0.11 -0.17 0.42 -0.81 0.00 0.00 175.30 175.09 2rdx s ILE 6 N 0.75 1.57 0.04 4.11 1.01 0.18 -0.57 121.20 128.30 2rdx s ILE 6 Ca -0.04 -0.71 0.08 0.00 0.00 0.00 0.00 60.65 59.99 2rdx s ILE 6 Cb -0.05 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 2rdx s ILE 6 CO -0.06 0.45 -0.24 -0.13 0.00 0.00 0.00 174.94 174.97 2rdx s ARG 7 N 0.78 1.65 -0.12 2.79 0.52 0.47 -0.81 118.95 124.23 2rdx s ARG 7 Ca -0.11 -1.02 0.02 0.00 -0.52 0.00 0.00 55.73 54.10 2rdx s ARG 7 Cb -0.16 -1.79 -0.00 0.00 0.52 0.00 0.00 34.95 33.52 2rdx s ARG 7 CO 0.02 0.46 -0.20 -1.17 0.02 0.00 0.00 175.30 174.43 2rdx s LEU 8 N -1.16 2.32 0.09 2.53 2.96 -0.43 -0.52 118.68 124.47 2rdx s LEU 8 Ca 0.10 -0.49 0.10 0.00 -0.22 0.00 0.00 54.13 53.62 2rdx s LEU 8 Cb -0.09 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2rdx s LEU 8 CO 0.02 0.14 -0.26 -0.31 -1.32 0.00 0.00 176.35 174.62 2rdx s TYR 9 N 0.47 2.34 -0.03 5.38 2.02 0.12 -0.51 117.35 127.13 2rdx s TYR 9 Ca -0.13 -0.38 0.03 0.00 -0.37 0.00 0.00 57.07 56.21 2rdx s TYR 9 Cb -0.17 -1.33 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 2rdx s TYR 9 CO 0.05 0.25 -0.11 0.15 -1.57 0.00 0.00 175.55 174.33 2rdx s LYS 10 N -1.69 1.16 0.05 -0.62 1.02 -1.26 -0.55 119.74 117.84 2rdx s LYS 10 Ca 0.13 -0.36 -0.12 0.00 0.02 0.00 0.00 55.97 55.64 2rdx s LYS 10 Cb -0.10 -1.05 0.01 0.00 -0.52 0.00 0.00 37.83 36.17 2rdx s LYS 10 CO 0.05 0.13 0.26 -0.08 -0.92 0.00 0.00 175.35 174.79 2rdx s THR 11 N 0.22 0.09 -0.15 2.17 -1.32 -0.93 -4.83 115.64 110.88 2rdx s THR 11 Ca -0.04 -0.78 -0.18 0.00 -1.21 0.00 0.00 61.69 59.48 2rdx s THR 11 Cb -0.10 -0.97 -0.04 0.00 -1.51 0.00 0.00 72.50 69.89 2rdx s THR 11 CO 0.01 -0.43 0.47 -1.81 -2.21 0.00 0.00 174.62 170.65 2rdx s ASP 12 N -2.15 6.61 -0.46 8.08 1.01 -1.26 -0.29 116.67 128.20 2rdx s ASP 12 Ca -0.04 0.72 -0.05 0.00 0.71 0.00 0.00 52.55 53.90 2rdx s ASP 12 Cb -0.00 -2.28 0.12 0.00 1.01 0.00 0.00 42.92 41.77 2rdx s ASP 12 CO -0.04 -0.06 0.28 -0.76 0.21 0.00 0.00 175.17 174.80 2rdx s LEU 13 N 1.01 5.38 0.31 1.23 1.43 0.71 -4.80 118.68 123.95 2rdx s LEU 13 Ca 0.24 -2.13 -0.28 0.00 -1.03 0.00 0.00 54.13 50.94 2rdx s LEU 13 Cb -0.15 -1.88 -0.09 0.00 0.03 0.00 0.00 46.19 44.09 2rdx s LEU 13 CO 0.09 -0.56 1.04 -2.84 0.23 0.00 0.00 176.35 174.32 2rdx s PRO 14 N 1.02 4.56 0.33 1.29 0.02 -1.26 -1.38 135.00 139.58 2rdx s PRO 14 Ca 0.09 1.63 -0.28 0.00 0.02 0.00 0.00 61.00 62.46 2rdx s PRO 14 Cb -0.23 -3.01 -0.09 0.00 0.02 0.00 0.00 34.50 31.18 2rdx s PRO 14 CO -0.03 0.19 1.17 -0.47 -0.33 0.00 0.00 177.00 177.53 2rdx s TYR 15 N -1.33 3.29 0.34 6.54 5.04 -1.09 -0.80 117.35 129.34 2rdx s TYR 15 Ca 0.48 1.58 0.02 0.00 -2.44 0.00 0.00 57.07 56.71 2rdx s TYR 15 Cb -0.27 -3.41 0.61 0.00 0.35 0.00 0.00 41.96 39.24 2rdx s TYR 15 CO 0.34 -1.10 1.99 -0.39 -1.34 0.00 0.00 175.55 175.05 2rdx h VAL 16 N 2.82 1.14 -0.75 3.14 -1.51 -1.57 -2.99 116.25 116.52 2rdx h VAL 16 Ca -0.48 -0.31 -0.48 0.00 -1.23 0.00 0.00 66.70 64.20 2rdx h VAL 16 Cb 1.22 0.15 -0.27 0.00 -2.13 0.00 0.00 31.29 30.26 2rdx h VAL 16 CO 0.65 0.16 0.16 0.47 -1.23 0.00 0.00 177.57 177.79 2rdx n ASP 17 N -4.44 4.93 0.00 4.19 8.00 -1.26 -5.02 116.55 122.95 2rdx n ASP 17 Ca 0.08 -3.76 0.00 0.00 0.71 0.00 0.00 54.79 51.83 2rdx n ASP 17 Cb 0.09 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 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 -0.97 2.03 3.49 0.44 0.00 -1.13 -4.80 105.19 104.25 2rdx n GLY 18 Ca 0.50 0.10 -0.32 0.00 0.00 0.00 0.00 46.02 46.30 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 4.05 -0.34 1.61 0.15 -1.26 -4.41 113.70 109.50 2rdx s SER 19 Ca 0.00 -0.28 -0.00 0.00 0.70 0.00 0.00 55.95 56.36 2rdx s SER 19 Cb 0.00 -0.79 0.08 0.00 -1.71 0.00 0.00 66.02 63.60 2rdx s SER 19 CO 0.00 0.29 0.06 -0.47 1.20 0.00 0.00 173.24 174.32 2rdx s TYR 20 N -0.87 3.47 -0.58 3.44 6.14 -1.18 -4.97 117.35 122.81 2rdx s TYR 20 Ca 0.14 -2.34 -0.24 0.00 0.64 0.00 0.00 57.07 55.27 2rdx s TYR 20 Cb -0.11 -2.61 0.04 0.00 0.42 0.00 0.00 41.96 39.71 2rdx s TYR 20 CO 0.04 -0.90 0.99 0.20 0.64 0.00 0.00 175.55 176.52 2rdx s GLY 21 N 1.33 1.35 0.15 8.97 0.00 -1.26 -2.69 107.32 115.17 2rdx s GLY 21 Ca 0.02 -1.27 0.09 0.00 0.00 0.00 0.00 44.72 43.56 2rdx s GLY 21 CO -0.04 2.13 -0.21 0.66 0.00 0.00 0.00 173.10 175.63 2rdx s TRP 22 N 4.15 1.97 0.00 1.90 1.48 -1.11 -4.92 118.94 122.41 2rdx s TRP 22 Ca 0.31 -0.42 0.00 0.00 -1.06 0.00 0.00 56.10 54.93 2rdx s TRP 22 Cb -0.12 -1.02 0.00 0.00 -1.16 0.00 0.00 33.47 31.17 2rdx s TRP 22 CO 0.19 0.33 0.00 0.41 -4.06 0.00 0.00 176.95 173.81 2rdx n GLY 23 N 0.61 1.05 2.55 3.67 0.00 -1.26 -1.71 105.19 110.11 2rdx n GLY 23 Ca -0.16 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 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 6.74 6.53 -2.43 4.61 0.00 -1.25 -2.93 120.51 131.77 2rdx n ALA 24 Ca 0.00 -3.97 -0.02 0.00 0.00 0.00 0.00 53.44 49.45 2rdx n ALA 24 Cb 0.00 -3.07 0.01 0.00 0.00 0.00 0.00 19.45 16.39 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 2.75 0.60 3.87 0.00 0.00 -1.25 -4.98 105.19 106.18 2rdx n GLY 25 Ca 0.60 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.09 5.31 -0.11 1.61 0.01 -0.69 -5.01 114.94 112.97 2rdx s ASN 26 Ca 0.04 -0.51 -0.05 0.00 -0.71 0.00 0.00 52.86 51.63 2rdx s ASN 26 Cb -0.02 -0.92 0.05 0.00 0.41 0.00 0.00 41.25 40.77 2rdx s ASN 26 CO 0.08 -0.41 0.25 0.00 -1.51 0.00 0.00 177.10 175.51 2rdx s ALA 27 N -2.32 -0.56 -0.66 0.60 0.00 -1.26 -2.76 121.76 114.80 2rdx s ALA 27 Ca 0.43 1.00 -0.13 0.00 0.00 0.00 0.00 51.96 53.26 2rdx s ALA 27 Cb -0.06 -0.67 0.17 0.00 0.00 0.00 0.00 23.12 22.56 2rdx s ALA 27 CO 0.27 -0.23 0.58 0.42 0.00 0.00 0.00 175.76 176.80 2rdx s ILE 28 N 1.36 5.09 -0.07 0.00 1.01 -1.09 -4.90 121.20 122.59 2rdx s ILE 28 Ca -0.08 -2.09 -0.24 0.00 0.00 0.00 0.00 60.65 58.23 2rdx s ILE 28 Cb -0.10 -4.22 -0.29 0.00 0.01 0.00 0.00 42.46 37.86 2rdx s ILE 28 CO -0.09 -0.92 0.89 0.00 0.00 0.00 0.00 174.94 174.82 2rdx h THR 29 N 5.40 1.59 -3.42 2.92 1.03 -1.91 -3.13 112.91 115.40 2rdx h THR 29 Ca -0.09 -2.39 -0.38 0.00 -0.01 0.00 0.00 66.41 63.54 2rdx h THR 29 Cb 1.06 3.18 -0.35 0.00 -1.07 0.00 0.00 68.15 70.96 2rdx h THR 29 CO 0.86 0.66 -0.76 -0.69 -0.01 0.00 0.00 175.52 175.59 2rdx s VAL 30 N -2.49 0.28 0.13 0.00 1.01 -1.26 -2.67 120.40 115.39 2rdx s VAL 30 Ca -0.15 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 2rdx s VAL 30 Cb -0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 36.38 35.93 2rdx s VAL 30 CO 0.78 0.19 0.44 0.00 0.00 0.00 0.00 175.10 176.51 2rdx s ALA 31 N 1.30 3.69 -0.38 5.51 0.00 -0.48 -4.93 121.76 126.48 2rdx s ALA 31 Ca -0.06 -0.37 -0.09 0.00 0.00 0.00 0.00 51.96 51.44 2rdx s ALA 31 Cb -0.13 -2.30 0.05 0.00 0.00 0.00 0.00 23.12 20.74 2rdx s ALA 31 CO -0.02 0.57 0.20 0.50 0.00 0.00 0.00 175.76 177.00 2rdx s ARG 32 N -2.28 2.68 0.22 0.00 3.00 -1.26 -0.21 118.95 121.11 2rdx s ARG 32 Ca 0.38 -1.24 -0.25 0.00 -1.00 0.00 0.00 55.73 53.62 2rdx s ARG 32 Cb -0.13 -3.67 -0.09 0.00 0.00 0.00 0.00 34.95 31.06 2rdx s ARG 32 CO 0.20 -0.78 0.83 0.00 0.00 0.00 0.00 175.30 175.55 2rdx s ALA 33 N 1.46 3.37 -0.25 6.12 0.00 0.60 -4.40 121.76 128.68 2rdx s ALA 33 Ca 0.01 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.39 2rdx s ALA 33 Cb -0.21 -3.02 0.05 0.00 0.00 0.00 0.00 23.12 19.95 2rdx s ALA 33 CO 0.04 0.26 -0.11 -1.12 0.00 0.00 0.00 175.76 174.83 2rdx s SER 34 N -1.35 4.29 -0.18 0.00 0.01 -0.10 -2.19 113.70 114.17 2rdx s SER 34 Ca 0.41 -1.24 -0.04 0.00 1.31 0.00 0.00 55.95 56.38 2rdx s SER 34 Cb -0.21 -1.56 -0.03 0.00 0.21 0.00 0.00 66.02 64.43 2rdx s SER 34 CO 0.26 -0.16 -0.02 -0.69 0.41 0.00 0.00 173.24 173.03 2rdx s VAL 35 N 1.16 3.94 -0.17 3.43 1.01 0.28 -1.43 120.40 128.62 2rdx s VAL 35 Ca -0.06 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 2rdx s VAL 35 Cb -0.19 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2rdx s VAL 35 CO -0.06 0.46 0.06 -0.69 0.00 0.00 0.00 175.10 174.87 2rdx s VAL 36 N 0.65 4.78 -0.11 2.92 1.01 -0.19 0.10 120.40 129.56 2rdx s VAL 36 Ca -0.01 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2rdx s VAL 36 Cb -0.14 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.12 2rdx s VAL 36 CO 0.02 0.49 -0.12 -0.69 0.00 0.00 0.00 175.10 174.80 2rdx s VAL 37 N 0.16 1.31 -0.13 2.92 1.01 0.32 -1.35 120.40 124.62 2rdx s VAL 37 Ca 0.05 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.55 2rdx s VAL 37 Cb -0.12 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.03 2rdx s VAL 37 CO 0.01 0.41 -0.22 -0.63 0.00 0.00 0.00 175.10 174.67 2rdx s ILE 38 N 1.28 2.03 0.10 2.22 1.01 0.46 -0.40 121.20 127.91 2rdx s ILE 38 Ca -0.02 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.70 2rdx s ILE 38 Cb -0.14 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 2rdx s ILE 38 CO -0.05 0.55 0.12 -1.81 0.00 0.00 0.00 174.94 173.74 2rdx s ASP 39 N 0.78 5.65 0.36 3.58 1.01 0.27 -0.65 116.67 127.67 2rdx s ASP 39 Ca -0.08 -0.00 0.06 0.00 0.71 0.00 0.00 52.55 53.24 2rdx s ASP 39 Cb -0.16 -1.54 -0.07 0.00 1.01 0.00 0.00 42.92 42.16 2rdx s ASP 39 CO -0.01 0.14 0.01 0.42 0.21 0.00 0.00 175.17 175.94 2rdx s THR 40 N -1.51 1.71 -0.94 -1.27 -4.23 -0.91 -0.88 115.64 107.61 2rdx s THR 40 Ca 0.31 -2.03 0.21 0.00 -1.18 0.00 0.00 61.69 58.99 2rdx s THR 40 Cb -0.12 -2.85 0.18 0.00 1.34 0.00 0.00 72.50 71.06 2rdx s THR 40 CO 0.23 -0.05 1.67 -0.90 -0.54 0.00 0.00 174.62 175.03 2rdx n ASP 41 N -0.82 0.10 -1.25 3.99 5.75 -0.83 -1.75 116.55 121.75 2rdx n ASP 41 Ca -0.04 0.52 0.12 0.00 -0.01 0.00 0.00 54.79 55.37 2rdx n ASP 41 Cb 0.66 -0.54 0.28 0.00 -1.03 0.00 0.00 41.12 40.49 2rdx n ASP 41 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2rdx n ALA 42 N -1.54 2.40 -1.52 2.12 0.00 -1.26 -4.96 120.51 115.75 2rdx n ALA 42 Ca 0.05 -1.14 -0.07 0.00 0.00 0.00 0.00 53.44 52.27 2rdx n ALA 42 Cb 0.25 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 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 1.58 0.65 3.73 0.00 0.00 -0.71 -5.02 105.19 105.42 2rdx n GLY 43 Ca 0.22 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.79 4.30 -0.08 0.99 1.43 -1.26 -4.89 118.68 117.38 2rdx s LEU 44 Ca 0.00 0.85 0.02 0.00 -1.03 0.00 0.00 54.13 53.97 2rdx s LEU 44 Cb 0.00 -2.71 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 2rdx s LEU 44 CO 0.00 0.03 -0.14 -1.58 0.23 0.00 0.00 176.35 174.89 2rdx s GLN 45 N 0.44 2.89 0.15 1.70 0.74 -1.26 -2.15 119.66 122.16 2rdx s GLN 45 Ca 0.26 -0.69 0.08 0.00 0.05 0.00 0.00 55.36 55.07 2rdx s GLN 45 Cb -0.15 -2.49 -0.04 0.00 1.10 0.00 0.00 33.01 31.43 2rdx s GLN 45 CO 0.11 0.44 -0.12 0.20 -0.55 0.00 0.00 175.29 175.38 2rdx s GLY 46 N -0.26 1.74 0.02 2.59 0.00 0.18 -4.68 107.32 106.91 2rdx s GLY 46 Ca 0.02 -1.39 -0.04 0.00 0.00 0.00 0.00 44.72 43.31 2rdx s GLY 46 CO 0.03 -1.39 0.07 0.00 0.00 0.00 0.00 173.10 171.81 2rdx s GLY 48 N -1.77 0.01 -0.02 0.00 0.00 -0.46 -3.35 107.32 101.73 2rdx s GLY 48 Ca -0.10 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.21 2rdx s GLY 48 CO -0.02 -0.61 0.02 1.85 0.00 0.00 0.00 173.10 174.34 2rdx s GLU 49 N -3.48 -0.01 -0.13 2.90 2.12 -1.26 -1.03 118.70 117.81 2rdx s GLU 49 Ca 0.02 0.14 0.02 0.00 0.36 0.00 0.00 54.97 55.51 2rdx s GLU 49 Cb 0.03 -0.21 -0.00 0.00 0.26 0.00 0.00 34.13 34.21 2rdx s GLU 49 CO -0.09 -0.13 -0.19 0.12 -0.54 0.00 0.00 175.26 174.43 2rdx s PHE 50 N 0.85 2.70 -0.04 5.30 5.36 -0.52 -4.57 117.98 127.06 2rdx s PHE 50 Ca -0.07 -1.06 -0.02 0.00 -0.96 0.00 0.00 56.93 54.83 2rdx s PHE 50 Cb -0.10 -1.82 0.03 0.00 -0.34 0.00 0.00 43.02 40.79 2rdx s PHE 50 CO -0.02 -0.45 0.04 0.99 -1.46 0.00 0.00 175.22 174.32 2rdx s THR 51 N 0.62 -0.01 0.33 0.12 2.01 -1.26 -0.92 115.64 116.52 2rdx s THR 51 Ca -0.10 0.34 -0.23 0.00 0.31 0.00 0.00 61.69 62.01 2rdx s THR 51 Cb -0.16 -0.21 -0.10 0.00 0.01 0.00 0.00 72.50 72.04 2rdx s THR 51 CO 0.03 0.18 0.89 -2.16 -0.69 0.00 0.00 174.62 172.87 2rdx s PRO 52 N 1.96 4.40 -1.18 4.92 0.04 -1.26 -2.84 135.00 141.03 2rdx s PRO 52 Ca 0.03 1.15 -0.08 0.00 0.04 0.00 0.00 61.00 62.15 2rdx s PRO 52 Cb -0.12 -2.64 0.23 0.00 0.04 0.00 0.00 34.50 32.01 2rdx s PRO 52 CO -0.03 0.22 1.64 0.00 0.04 0.00 0.00 177.00 178.86 2rdx n GLY 54 N 2.29 1.30 0.06 0.00 0.00 -1.26 -4.61 105.19 102.97 2rdx n GLY 54 Ca 0.33 -1.42 0.11 0.00 0.00 0.00 0.00 46.02 45.04 2rdx n GLY 54 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rdx n GLU 55 N 2.14 0.12 -0.23 1.61 -0.58 -1.26 -2.98 120.64 119.46 2rdx n GLU 55 Ca 0.00 0.24 0.07 0.00 -0.42 0.00 0.00 57.16 57.05 2rdx n GLU 55 Cb 0.00 -1.68 0.17 0.00 -0.57 0.00 0.00 31.44 29.36 2rdx n GLU 55 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2rdx n ASN 56 N -1.90 3.02 -0.03 1.62 6.94 -1.26 -4.55 115.26 119.09 2rdx n ASN 56 Ca 0.04 -2.72 -0.13 0.00 -0.02 0.00 0.00 54.58 51.75 2rdx n ASN 56 Cb 0.29 -0.38 -0.09 0.00 -2.36 0.00 0.00 39.78 37.23 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 1.08 0.18 -3.61 -2.53 3.20 -1.79 -3.48 116.97 110.02 2rdx h TYR 57 Ca 0.00 -0.06 -0.27 0.00 3.14 0.00 0.00 58.73 61.54 2rdx h TYR 57 Cb 1.06 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 39.23 2rdx h TYR 57 CO 0.24 0.66 -0.26 0.00 -1.64 0.00 0.00 178.16 177.16 2rdx n MET 58 N -4.69 0.23 -2.55 1.82 0.00 -1.26 -5.04 117.12 105.63 2rdx n MET 58 Ca -0.08 -1.88 -0.42 0.00 0.00 0.00 0.00 57.70 55.32 2rdx n MET 58 Cb 0.33 1.55 -0.01 0.00 0.00 0.00 0.00 33.22 35.10 2rdx n MET 58 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2rdx s ILE 59 N -2.77 4.06 -0.30 3.17 1.01 -1.26 -4.77 121.20 120.35 2rdx s ILE 59 Ca 0.23 -1.74 -0.17 0.00 0.00 0.00 0.00 60.65 58.97 2rdx s ILE 59 Cb 0.01 -5.15 0.22 0.00 0.01 0.00 0.00 42.46 37.55 2rdx s ILE 59 CO 0.16 -1.96 1.32 0.00 0.00 0.00 0.00 174.94 174.46 2rdx s ALA 60 N 4.70 -2.65 0.14 9.38 0.00 -1.26 -4.84 121.76 127.23 2rdx s ALA 60 Ca 0.54 1.91 -0.02 0.00 0.00 0.00 0.00 51.96 54.39 2rdx s ALA 60 Cb 0.03 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 2rdx s ALA 60 CO 0.06 -0.28 0.10 -3.38 0.00 0.00 0.00 175.76 172.26 2rdx s HIS 61 N 0.86 0.82 0.15 0.00 -3.43 -1.26 -4.62 115.29 107.82 2rdx s HIS 61 Ca -0.06 -1.18 0.22 0.00 -0.80 0.00 0.00 55.06 53.24 2rdx s HIS 61 Cb -0.02 -0.42 0.82 0.00 -1.43 0.00 0.00 32.58 31.52 2rdx s HIS 61 CO -0.10 -0.56 1.79 0.66 -2.00 0.00 0.00 174.74 174.52 2rdx h SER 62 N 2.79 0.00 0.71 7.38 4.64 -1.92 -2.80 113.55 124.36 2rdx h SER 62 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2rdx h SER 62 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2rdx h SER 62 CO 0.57 0.29 -0.18 -0.62 -0.87 0.00 0.00 176.83 176.02 2rdx n GLU 63 N -3.46 0.14 0.15 4.77 -0.58 -1.26 -3.94 120.64 116.45 2rdx n GLU 63 Ca -0.00 -0.04 0.02 0.00 -0.42 0.00 0.00 57.16 56.71 2rdx n GLU 63 Cb 0.46 -1.50 0.22 0.00 -0.57 0.00 0.00 31.44 30.05 2rdx n GLU 63 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2rdx h GLY 64 N 4.99 0.00 0.92 0.62 0.00 -1.93 -2.81 103.07 104.86 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 0.00 0.00 0.10 -2.08 0.00 0.00 0.00 176.54 174.56 2rdx h VAL 65 N 0.00 1.22 0.01 4.60 2.07 -1.76 -1.27 116.25 121.11 2rdx h VAL 65 Ca -0.01 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.81 2rdx h VAL 65 Cb 1.06 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2rdx h VAL 65 CO 0.07 0.25 -0.10 0.44 0.02 0.00 0.00 177.57 178.25 2rdx h ASP 66 N 0.42 -0.27 -0.49 0.57 5.19 -1.76 0.30 116.42 120.37 2rdx h ASP 66 Ca 0.11 0.04 0.05 0.00 -0.62 0.00 0.00 57.03 56.61 2rdx h ASP 66 Cb 0.28 0.12 -0.05 0.00 0.18 0.00 0.00 39.33 39.86 2rdx h ASP 66 CO -0.00 -0.14 0.23 0.00 -3.12 0.00 0.00 179.24 176.21 2rdx h ALA 67 N 0.80 0.62 -0.27 3.45 0.00 -1.46 -1.50 119.26 120.91 2rdx h ALA 67 Ca 0.03 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2rdx h ALA 67 Cb 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2rdx h ALA 67 CO -0.09 -0.14 0.06 0.35 0.00 0.00 0.00 179.25 179.43 2rdx h PHE 68 N 0.44 0.47 -0.77 0.00 3.57 -1.03 -3.12 116.94 116.50 2rdx h PHE 68 Ca 0.22 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.69 2rdx h PHE 68 Cb 0.16 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 2rdx h PHE 68 CO -0.12 0.53 0.51 0.00 -2.23 0.00 0.00 178.31 176.99 2rdx h ALA 69 N 0.88 1.51 -0.76 2.41 0.00 -0.65 0.14 119.26 122.79 2rdx h ALA 69 Ca 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2rdx h ALA 69 Cb 0.30 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2rdx h ALA 69 CO 0.00 0.43 0.30 0.00 0.00 0.00 0.00 179.25 179.99 2rdx h ARG 70 N 0.98 1.13 0.05 0.00 3.08 -1.22 -0.13 114.38 118.27 2rdx h ARG 70 Ca 0.30 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 60.03 2rdx h ARG 70 Cb -0.02 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 29.85 2rdx h ARG 70 CO -0.08 0.92 -0.47 1.25 -1.07 0.00 0.00 179.97 180.52 2rdx h LEU 71 N 1.10 0.33 0.15 3.04 5.85 -1.46 -3.42 115.31 120.90 2rdx h LEU 71 Ca 0.25 -0.88 -0.35 0.00 0.84 0.00 0.00 57.88 57.75 2rdx h LEU 71 Cb 0.21 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 2rdx h LEU 71 CO -0.02 1.17 -1.79 0.00 -0.34 0.00 0.00 178.44 177.46 2rdx h ALA 72 N 0.16 0.29 -0.83 1.25 0.00 -0.90 -3.40 119.26 115.83 2rdx h ALA 72 Ca -0.07 -1.23 0.09 0.00 0.00 0.00 0.00 54.91 53.70 2rdx h ALA 72 Cb 1.29 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 19.51 2rdx h ALA 72 CO 0.09 1.16 0.48 0.00 0.00 0.00 0.00 179.25 180.98 2rdx h ALA 73 N 0.21 1.18 -0.15 0.00 0.00 -1.21 -0.51 119.26 118.77 2rdx h ALA 73 Ca -0.35 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.63 2rdx h ALA 73 Cb 2.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 2rdx h ALA 73 CO 0.14 0.11 0.14 -1.35 0.00 0.00 0.00 179.25 178.30 2rdx h PRO 74 N 0.81 0.00 0.00 0.00 0.11 -1.78 -2.03 132.00 129.10 2rdx h PRO 74 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 2rdx h PRO 74 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 2rdx h PRO 74 CO -0.24 0.00 -0.57 1.96 -0.21 0.00 0.00 178.00 178.94 2rdx h GLN 75 N 0.00 0.00 0.00 1.05 1.08 -1.34 -3.32 115.11 112.57 2rdx h GLN 75 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2rdx h GLN 75 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 2rdx h GLN 75 CO -0.00 0.00 -0.69 1.28 -0.95 0.00 0.00 178.83 178.47 2rdx n LEU 76 N -2.27 0.61 -4.75 1.46 4.77 -0.78 -4.87 117.00 111.17 2rdx n LEU 76 Ca 0.03 0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.67 2rdx n LEU 76 Cb 0.46 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 2rdx n LEU 76 CO 0.36 0.04 0.99 -0.76 -1.33 0.00 0.00 177.39 176.69 2rdx s LEU 77 N -3.71 4.43 0.00 2.23 1.43 -1.11 -3.08 118.68 118.87 2rdx s LEU 77 Ca 0.07 2.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.75 2rdx s LEU 77 Cb 0.15 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.74 2rdx s LEU 77 CO 0.74 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 177.39 2rdx n GLY 78 N 1.54 0.83 3.95 -3.19 0.00 0.16 -4.91 105.19 103.58 2rdx n GLY 78 Ca 0.03 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 -0.32 3.47 -0.52 1.61 2.00 -1.18 -4.50 119.66 120.23 2rdx s GLN 79 Ca 0.00 -0.45 -0.22 0.00 -2.00 0.00 0.00 55.36 52.69 2rdx s GLN 79 Cb 0.00 -2.73 0.05 0.00 0.80 0.00 0.00 33.01 31.13 2rdx s GLN 79 CO 0.00 0.23 0.77 0.34 -0.50 0.00 0.00 175.29 176.13 2rdx s ASP 80 N -4.00 6.29 0.40 6.67 -1.08 -1.25 -0.67 116.67 123.03 2rdx s ASP 80 Ca 0.38 -0.57 0.27 0.00 -0.52 0.00 0.00 52.55 52.11 2rdx s ASP 80 Cb -0.09 -2.36 0.80 0.00 -1.46 0.00 0.00 42.92 39.80 2rdx s ASP 80 CO 0.34 -1.03 1.76 1.55 0.52 0.00 0.00 175.17 178.31 2rdx h PRO 81 N 9.12 0.00 0.00 4.34 0.13 -1.93 -3.08 132.00 140.57 2rdx h PRO 81 Ca -0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.82 2rdx h PRO 81 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2rdx h PRO 81 CO 1.01 0.00 -0.21 0.00 -0.23 0.00 0.00 178.00 178.58 2rdx h ARG 82 N 0.00 0.00 -4.52 0.86 3.08 -1.92 -3.36 114.38 108.52 2rdx h ARG 82 Ca 0.00 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.33 2rdx h ARG 82 Cb 0.73 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.68 2rdx h ARG 82 CO 0.00 0.21 2.36 1.04 -1.07 0.00 0.00 179.97 182.51 2rdx n GLN 83 N -4.07 3.20 -0.10 0.04 6.02 -1.17 -4.77 117.38 116.53 2rdx n GLN 83 Ca -0.02 -3.19 0.06 0.00 -0.01 0.00 0.00 57.00 53.84 2rdx n GLN 83 Cb 0.28 -3.23 0.40 0.00 1.02 0.00 0.00 30.24 28.71 2rdx n GLN 83 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 2rdx h VAL 84 N 4.47 1.04 0.01 5.09 -1.51 -1.87 -1.32 116.25 122.18 2rdx h VAL 84 Ca 0.46 -0.22 -0.20 0.00 -1.23 0.00 0.00 66.70 65.51 2rdx h VAL 84 Cb 0.74 0.35 -0.01 0.00 -2.13 0.00 0.00 31.29 30.24 2rdx h VAL 84 CO 1.61 0.12 -0.91 0.00 -1.23 0.00 0.00 177.57 177.16 2rdx h ALA 85 N 1.67 0.48 -0.55 5.19 0.00 -1.94 -0.49 119.26 123.62 2rdx h ALA 85 Ca 0.24 -0.75 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 2rdx h ALA 85 Cb 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2rdx h ALA 85 CO -0.07 0.95 0.10 -0.09 0.00 0.00 0.00 179.25 180.14 2rdx h ARG 86 N 0.09 0.91 -0.39 0.00 2.43 -1.67 -0.47 114.38 115.28 2rdx h ARG 86 Ca -0.05 -0.24 -0.06 0.00 -0.81 0.00 0.00 59.98 58.83 2rdx h ARG 86 Cb 1.56 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.98 2rdx h ARG 86 CO 0.14 0.87 0.03 0.52 -1.51 0.00 0.00 179.97 180.01 2rdx h MET 87 N 0.80 0.67 0.03 0.20 2.86 -1.29 -0.86 114.93 117.34 2rdx h MET 87 Ca 0.17 -0.20 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2rdx h MET 87 Cb 0.40 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.94 2rdx h MET 87 CO 0.01 0.75 -0.42 1.49 1.06 0.00 0.00 176.91 179.80 2rdx h GLU 88 N 0.50 -0.57 0.00 1.72 4.81 -1.02 -0.07 114.58 119.96 2rdx h GLU 88 Ca 0.11 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2rdx h GLU 88 Cb 0.43 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 2rdx h GLU 88 CO 0.01 -0.38 -0.11 0.00 -0.73 0.00 0.00 179.01 177.80 2rdx h ARG 89 N -0.59 0.00 0.22 1.92 3.08 -1.03 -1.69 114.38 116.28 2rdx h ARG 89 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2rdx h ARG 89 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2rdx h ARG 89 CO -0.29 0.11 -0.10 1.25 -1.07 0.00 0.00 179.97 179.86 2rdx h LEU 90 N 0.00 -0.25 -0.17 3.04 5.85 -0.78 -1.85 115.31 121.15 2rdx h LEU 90 Ca -0.00 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.54 2rdx h LEU 90 Cb 0.21 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 2rdx h LEU 90 CO 0.01 0.13 -0.24 0.24 -0.34 0.00 0.00 178.44 178.24 2rdx h MET 91 N -0.66 -0.28 0.00 1.25 2.86 -0.94 -0.84 114.93 116.32 2rdx h MET 91 Ca -0.03 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2rdx h MET 91 Cb 0.47 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2rdx h MET 91 CO 0.05 -0.19 0.00 -0.44 1.06 0.00 0.00 176.91 177.39 2rdx h ASP 92 N -0.29 0.00 0.67 1.22 3.32 -1.31 -0.18 116.42 119.86 2rdx h ASP 92 Ca 0.11 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.90 2rdx h ASP 92 Cb 0.46 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2rdx h ASP 92 CO -0.34 0.00 -1.29 -0.74 -1.72 0.00 0.00 179.24 175.15 2rdx h HIS 93 N 0.00 0.30 0.03 4.55 2.76 -0.32 -3.38 115.15 119.09 2rdx h HIS 93 Ca 0.00 -0.22 -0.00 0.00 -2.20 0.00 0.00 60.37 57.95 2rdx h HIS 93 Cb 0.15 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.10 2rdx h HIS 93 CO 0.00 1.21 -0.01 -0.07 -1.30 0.00 0.00 177.93 177.76 2rdx h LEU 94 N 0.05 -0.03 -8.75 0.26 3.38 0.10 -3.45 115.31 106.86 2rdx h LEU 94 Ca -0.14 -0.56 -0.53 0.00 0.09 0.00 0.00 57.88 56.73 2rdx h LEU 94 Cb 1.93 0.01 -0.20 0.00 0.09 0.00 0.00 40.66 42.49 2rdx h LEU 94 CO 0.16 0.56 -0.80 0.68 0.09 0.00 0.00 178.44 179.13 2rdx s VAL 95 N -3.76 1.76 0.04 1.22 -7.23 -0.52 -5.08 120.40 106.83 2rdx s VAL 95 Ca -0.16 -1.75 -0.06 0.00 -1.81 0.00 0.00 61.98 58.20 2rdx s VAL 95 Cb 0.01 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.19 2rdx s VAL 95 CO 0.65 -0.21 0.30 -1.10 -0.31 0.00 0.00 175.10 174.43 2rdx s GLN 96 N -2.40 3.60 4.70 4.82 -0.21 -1.26 -4.14 119.66 124.77 2rdx s GLN 96 Ca 0.11 -0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.43 2rdx s GLN 96 Cb -0.08 -3.03 0.00 0.00 1.00 0.00 0.00 33.01 30.90 2rdx s GLN 96 CO 0.05 0.61 0.00 0.41 -2.12 0.00 0.00 175.29 174.24 2rdx n GLY 97 N 0.89 1.68 3.10 3.09 0.00 -1.26 -4.92 105.19 107.77 2rdx n GLY 97 Ca -0.09 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 2rdx n GLY 97 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rdx n HIS 98 N 5.69 -1.79 -0.33 1.61 8.25 -1.26 -4.89 115.22 122.50 2rdx n HIS 98 Ca 0.00 0.42 0.16 0.00 -0.26 0.00 0.00 57.72 58.04 2rdx n HIS 98 Cb 0.00 -3.51 0.38 0.00 1.12 0.00 0.00 29.99 27.98 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 -0.98 1.61 0.80 -1.41 0.00 -1.90 -1.59 103.07 99.60 2rdx h GLY 99 Ca -0.45 -0.31 0.13 0.00 0.00 0.00 0.00 47.33 46.70 2rdx h GLY 99 CO 0.52 -0.09 0.48 0.10 0.00 0.00 0.00 176.54 177.55 2rdx h TYR 100 N 0.64 0.52 0.00 5.60 -0.00 -1.85 -0.90 116.97 120.98 2rdx h TYR 100 Ca 0.58 0.01 -0.18 0.00 0.00 0.00 0.00 58.73 59.15 2rdx h TYR 100 Cb 1.07 -0.17 -0.03 0.00 0.00 0.00 0.00 36.73 37.60 2rdx h TYR 100 CO -0.00 0.22 -0.91 0.00 -0.00 0.00 0.00 178.16 177.46 2rdx h ALA 101 N 1.65 0.52 0.00 0.10 0.00 -1.61 -3.14 119.26 116.79 2rdx h ALA 101 Ca 0.35 -0.79 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 2rdx h ALA 101 Cb 0.71 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2rdx h ALA 101 CO -0.11 1.03 -0.49 0.87 0.00 0.00 0.00 179.25 180.54 2rdx h LYS 102 N 0.00 0.00 -0.64 0.00 1.57 -1.36 -3.39 116.57 112.74 2rdx h LYS 102 Ca -0.04 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.83 2rdx h LYS 102 Cb 1.64 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.88 2rdx h LYS 102 CO 0.10 0.49 0.26 0.00 -0.57 0.00 0.00 179.45 179.73 2rdx h ALA 103 N 1.51 0.85 -0.11 3.86 0.00 -1.13 -2.00 119.26 122.23 2rdx h ALA 103 Ca -0.00 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2rdx h ALA 103 Cb 1.37 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2rdx h ALA 103 CO 0.06 -0.15 -0.42 -1.00 0.00 0.00 0.00 179.25 177.74 2rdx h PRO 104 N 0.46 0.25 0.03 0.00 0.13 -1.76 -2.45 132.00 128.66 2rdx h PRO 104 Ca 0.32 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 2rdx h PRO 104 Cb 0.39 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 2rdx h PRO 104 CO -0.30 0.63 -0.04 0.74 -0.23 0.00 0.00 178.00 178.80 2rdx h PHE 105 N 0.21 -0.11 -1.00 1.56 0.04 -1.71 -2.44 116.94 113.49 2rdx h PHE 105 Ca 0.02 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.89 2rdx h PHE 105 Cb 0.83 0.04 -0.08 0.00 2.20 0.00 0.00 35.95 38.95 2rdx h PHE 105 CO 0.02 -0.07 0.64 0.22 -0.60 0.00 0.00 178.31 178.51 2rdx h ASP 106 N -0.09 0.96 -0.21 2.17 3.58 -1.29 -2.17 116.42 119.36 2rdx h ASP 106 Ca 0.01 0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.37 2rdx h ASP 106 Cb 0.10 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2rdx h ASP 106 CO -0.02 0.55 -0.29 0.00 -2.88 0.00 0.00 179.24 176.59 2rdx h ALA 107 N 1.51 0.86 -0.05 -0.78 0.00 -1.32 -2.21 119.26 117.28 2rdx h ALA 107 Ca 0.47 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2rdx h ALA 107 Cb 0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2rdx h ALA 107 CO -0.23 0.63 -0.36 0.00 0.00 0.00 0.00 179.25 179.29 2rdx h ALA 108 N 1.08 1.31 -0.20 0.00 0.00 -0.93 -0.92 119.26 119.59 2rdx h ALA 108 Ca 0.07 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 2rdx h ALA 108 Cb 0.80 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2rdx h ALA 108 CO 0.07 0.50 -0.53 0.74 0.00 0.00 0.00 179.25 180.02 2rdx h PHE 109 N 0.08 0.92 -0.45 0.00 0.04 -1.10 -1.44 116.94 115.00 2rdx h PHE 109 Ca 0.01 -0.36 -0.06 0.00 2.80 0.00 0.00 57.97 60.36 2rdx h PHE 109 Cb 0.69 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.65 2rdx h PHE 109 CO 0.00 1.16 0.04 -1.49 -0.60 0.00 0.00 178.31 177.42 2rdx h TRP 110 N 0.43 0.74 -0.12 -0.55 4.06 -1.24 -0.52 115.95 118.75 2rdx h TRP 110 Ca -0.01 -0.08 0.01 0.00 2.06 0.00 0.00 58.89 60.87 2rdx h TRP 110 Cb 1.15 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 29.09 2rdx h TRP 110 CO 0.09 0.67 0.04 0.22 -3.56 0.00 0.00 178.44 175.90 2rdx h ASP 111 N 0.67 0.04 -0.46 -3.49 3.58 -1.05 -1.56 116.42 114.16 2rdx h ASP 111 Ca 0.14 0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.53 2rdx h ASP 111 Cb 0.36 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 2rdx h ASP 111 CO 0.01 0.04 0.02 0.40 -2.88 0.00 0.00 179.24 176.83 2rdx h ILE 112 N 0.10 1.26 -0.73 2.25 2.04 -0.96 -2.36 117.51 119.11 2rdx h ILE 112 Ca 0.05 -1.02 0.03 0.00 1.00 0.00 0.00 64.86 64.92 2rdx h ILE 112 Cb 0.03 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 2rdx h ILE 112 CO -0.05 0.35 0.46 0.25 0.00 0.00 0.00 178.15 179.16 2rdx h LEU 113 N 0.64 0.76 -0.44 1.44 5.85 -1.06 -0.46 115.31 122.04 2rdx h LEU 113 Ca 0.13 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2rdx h LEU 113 Cb 0.48 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2rdx h LEU 113 CO 0.02 0.52 0.26 1.23 -0.34 0.00 0.00 178.44 180.13 2rdx h GLY 114 N 0.90 0.62 1.44 3.75 0.00 -1.11 -1.02 103.07 107.65 2rdx h GLY 114 Ca 0.29 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.33 2rdx h GLY 114 CO -0.11 0.17 -0.20 1.46 0.00 0.00 0.00 176.54 177.85 2rdx h GLN 115 N 0.52 0.65 0.00 4.80 4.20 -1.12 0.86 115.11 125.02 2rdx h GLN 115 Ca 0.18 -0.24 -0.12 0.00 0.06 0.00 0.00 58.65 58.52 2rdx h GLN 115 Cb 0.02 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2rdx h GLN 115 CO -0.08 0.81 -0.59 0.00 -0.67 0.00 0.00 178.83 178.30 2rdx h ALA 116 N 1.20 0.90 0.00 3.87 0.00 -0.90 -3.09 119.26 121.24 2rdx h ALA 116 Ca 0.09 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2rdx h ALA 116 Cb 0.67 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2rdx h ALA 116 CO 0.05 0.73 -0.84 0.25 0.00 0.00 0.00 179.25 179.44 2rdx n THR 117 N -3.66 0.02 -1.66 0.00 -2.24 -0.40 -4.98 114.28 101.36 2rdx n THR 117 Ca -0.01 -0.03 -0.09 0.00 -2.27 0.00 0.00 64.05 61.65 2rdx n THR 117 Cb 0.63 0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 69.46 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 1.48 0.59 3.21 3.38 0.00 0.11 -5.03 105.19 108.93 2rdx n GLY 118 Ca 0.04 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.50 1.29 0.71 1.61 -1.52 -0.11 -4.63 119.66 113.51 2rdx s GLN 119 Ca 0.00 -0.85 -0.15 0.00 -1.95 0.00 0.00 55.36 52.41 2rdx s GLN 119 Cb 0.00 -1.35 0.03 0.00 -0.22 0.00 0.00 33.01 31.46 2rdx s GLN 119 CO 0.00 0.35 1.18 -1.25 -0.25 0.00 0.00 175.29 175.32 2rdx s PRO 120 N -1.04 2.34 0.40 2.91 0.04 -1.25 -1.61 135.00 136.79 2rdx s PRO 120 Ca 0.06 1.66 0.07 0.00 0.04 0.00 0.00 61.00 62.83 2rdx s PRO 120 Cb -0.08 -1.87 0.82 0.00 0.04 0.00 0.00 34.50 33.41 2rdx s PRO 120 CO 0.01 -1.66 2.03 0.28 0.04 0.00 0.00 177.00 177.70 2rdx h VAL 121 N -0.17 1.12 -0.48 -0.36 2.07 -1.73 -1.43 116.25 115.27 2rdx h VAL 121 Ca -0.47 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 66.80 2rdx h VAL 121 Cb 1.28 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2rdx h VAL 121 CO 0.51 0.13 0.32 4.11 0.02 0.00 0.00 177.57 182.66 2rdx h TRP 122 N 0.53 0.39 -0.57 1.57 5.08 -1.89 -1.74 115.95 119.33 2rdx h TRP 122 Ca 0.14 0.01 -0.10 0.00 1.08 0.00 0.00 58.89 60.02 2rdx h TRP 122 Cb 0.02 -0.13 -0.02 0.00 -3.00 0.00 0.00 29.16 26.03 2rdx h TRP 122 CO 0.00 0.21 -0.04 1.98 -1.28 0.00 0.00 178.44 179.31 2rdx h MET 123 N 0.39 1.03 0.00 0.12 4.05 -1.52 -1.63 114.93 117.37 2rdx h MET 123 Ca 0.21 -0.35 0.00 0.00 -0.28 0.00 0.00 59.70 59.28 2rdx h MET 123 Cb 0.32 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 2rdx h MET 123 CO -0.05 1.04 0.00 1.28 0.23 0.00 0.00 176.91 179.41 2rdx n LEU 124 N -4.19 0.32 -0.11 3.39 4.77 -0.87 -2.34 117.00 117.96 2rdx n LEU 124 Ca 0.02 0.53 0.12 0.00 -0.03 0.00 0.00 56.01 56.66 2rdx n LEU 124 Cb 0.36 -0.44 0.28 0.00 -2.33 0.00 0.00 43.42 41.30 2rdx n LEU 124 CO 0.44 -0.10 0.51 0.18 -1.33 0.00 0.00 177.39 177.09 2rdx n LEU 125 N -1.81 0.78 0.00 2.23 4.32 -0.71 -4.94 117.00 116.87 2rdx n LEU 125 Ca 0.06 -0.15 0.00 0.00 -0.02 0.00 0.00 56.01 55.90 2rdx n LEU 125 Cb 0.36 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 2rdx n LEU 125 CO 0.27 0.17 0.00 0.61 -1.22 0.00 0.00 177.39 177.22 2rdx n GLY 126 N 1.43 0.80 0.00 -0.72 0.00 -0.84 -4.96 105.19 100.90 2rdx n GLY 126 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2rdx n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rdx n GLY 127 N 0.00 1.73 3.44 -0.02 0.00 -0.67 -4.98 105.19 104.69 2rdx n GLY 127 Ca 0.00 -2.07 -0.44 0.00 0.00 0.00 0.00 46.02 43.51 2rdx n GLY 127 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rdx s LYS 128 N -1.40 3.38 0.02 1.61 2.20 -1.26 -4.12 119.74 120.16 2rdx s LYS 128 Ca 0.00 -1.41 0.23 0.00 -0.36 0.00 0.00 55.97 54.43 2rdx s LYS 128 Cb 0.00 -4.62 0.12 0.00 -1.51 0.00 0.00 37.83 31.82 2rdx s LYS 128 CO 0.00 -1.76 1.12 1.28 -0.36 0.00 0.00 175.35 175.62 2rdx n LEU 129 N 6.90 0.67 -3.71 5.43 4.32 0.46 -4.73 117.00 126.34 2rdx n LEU 129 Ca 0.11 -0.14 -0.18 0.00 -0.02 0.00 0.00 56.01 55.79 2rdx n LEU 129 Cb 0.47 -0.12 -0.17 0.00 -1.62 0.00 0.00 43.42 41.98 2rdx n LEU 129 CO 0.56 0.12 -0.33 0.00 -1.22 0.00 0.00 177.39 176.52 2rdx s ASP 131 N 1.72 6.84 0.00 0.00 2.15 -1.26 -4.64 116.67 121.47 2rdx s ASP 131 Ca -0.01 -2.71 0.00 0.00 0.43 0.00 0.00 52.55 50.26 2rdx s ASP 131 Cb -0.12 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 2rdx s ASP 131 CO -0.03 -0.64 0.00 0.61 -0.17 0.00 0.00 175.17 174.93 2rdx n GLY 132 N 4.11 -1.22 3.75 2.66 0.00 -1.26 -5.03 105.19 108.19 2rdx n GLY 132 Ca 0.19 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 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 3.32 0.65 4.61 0.00 -0.19 -4.72 121.76 125.42 2rdx s ALA 133 Ca 0.00 0.62 -0.17 0.00 0.00 0.00 0.00 51.96 52.41 2rdx s ALA 133 Cb 0.00 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.88 2rdx s ALA 133 CO 0.00 0.14 1.19 -2.14 0.00 0.00 0.00 175.76 174.95 2rdx s PRO 134 N -0.91 2.69 0.32 0.00 0.02 -1.26 -0.73 135.00 135.12 2rdx s PRO 134 Ca 0.43 1.72 0.07 0.00 0.02 0.00 0.00 61.00 63.23 2rdx s PRO 134 Cb -0.26 -1.91 -0.06 0.00 0.02 0.00 0.00 34.50 32.30 2rdx s PRO 134 CO 0.32 -1.40 -0.04 -1.64 -0.33 0.00 0.00 177.00 173.91 2rdx s MET 135 N -3.65 1.68 0.23 5.54 -1.94 -1.01 0.38 119.30 120.52 2rdx s MET 135 Ca 0.74 -1.88 0.11 0.00 -1.71 0.00 0.00 55.69 52.96 2rdx s MET 135 Cb -0.28 -1.30 -0.05 0.00 2.01 0.00 0.00 34.83 35.21 2rdx s MET 135 CO 0.38 0.02 -0.19 1.52 -0.01 0.00 0.00 175.02 176.74 2rdx s TYR 136 N -2.92 2.36 -0.03 -0.03 -0.85 -1.25 -4.30 117.35 110.33 2rdx s TYR 136 Ca 0.32 -0.32 0.02 0.00 -0.52 0.00 0.00 57.07 56.57 2rdx s TYR 136 Cb 0.05 -1.11 -0.03 0.00 0.38 0.00 0.00 41.96 41.25 2rdx s TYR 136 CO 0.14 0.58 -0.09 1.03 -1.52 0.00 0.00 175.55 175.70 2rdx s ARG 137 N -3.04 2.60 -0.14 -3.49 1.81 -0.68 -4.97 118.95 111.04 2rdx s ARG 137 Ca 0.25 -0.66 -0.29 0.00 -1.72 0.00 0.00 55.73 53.31 2rdx s ARG 137 Cb -0.07 -2.50 -0.02 0.00 -0.45 0.00 0.00 34.95 31.91 2rdx s ARG 137 CO 0.13 0.63 1.24 0.54 -0.68 0.00 0.00 175.30 177.16 2rdx s VAL 138 N -0.87 4.29 -0.10 3.52 0.11 -1.26 -1.20 120.40 124.89 2rdx s VAL 138 Ca 0.14 1.57 -0.25 0.00 -2.93 0.00 0.00 61.98 60.51 2rdx s VAL 138 Cb -0.11 -4.02 0.06 0.00 -1.53 0.00 0.00 36.38 30.78 2rdx s VAL 138 CO 0.04 -0.11 0.59 0.00 -3.33 0.00 0.00 175.10 172.29 2rdx s ALA 139 N 3.19 -1.51 0.17 1.54 0.00 -1.19 -4.95 121.76 119.01 2rdx s ALA 139 Ca 0.55 1.26 0.11 0.00 0.00 0.00 0.00 51.96 53.87 2rdx s ALA 139 Cb -0.22 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 2rdx s ALA 139 CO 0.16 -0.33 -0.24 -1.25 0.00 0.00 0.00 175.76 174.10 2rdx s PRO 140 N -0.78 1.50 -0.99 0.00 0.04 -1.26 -4.53 135.00 128.99 2rdx s PRO 140 Ca -0.08 -1.45 -0.06 0.00 0.04 0.00 0.00 61.00 59.45 2rdx s PRO 140 Cb -0.02 -1.88 0.25 0.00 0.04 0.00 0.00 34.50 32.88 2rdx s PRO 140 CO 0.06 0.42 0.93 -1.14 0.04 0.00 0.00 177.00 177.31 2rdx s GLN 141 N -2.45 3.72 0.00 4.56 0.74 -1.26 -4.92 119.66 120.06 2rdx s GLN 141 Ca 0.18 -3.19 0.00 0.00 0.05 0.00 0.00 55.36 52.40 2rdx s GLN 141 Cb -0.09 -4.26 0.00 0.00 1.10 0.00 0.00 33.01 29.76 2rdx s GLN 141 CO 0.09 -1.25 0.00 -2.13 -0.55 0.00 0.00 175.29 171.44 2rdx n ARG 142 N 2.62 0.00 -0.47 1.67 0.63 -1.26 -5.14 116.66 114.70 2rdx n ARG 142 Ca 0.22 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 57.02 2rdx n ARG 142 Cb 0.39 0.00 0.11 0.00 0.45 0.00 0.00 32.46 33.40 2rdx n ARG 142 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2rdx n SER 143 N 0.00 -1.38 0.01 6.15 2.88 -1.26 -4.91 113.62 115.11 2rdx n SER 143 Ca 0.00 -0.81 -0.22 0.00 -1.33 0.00 0.00 58.87 56.51 2rdx n SER 143 Cb 0.00 -0.43 -0.14 0.00 -0.75 0.00 0.00 64.21 62.89 2rdx n SER 143 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2rdx h GLU 144 N 0.00 0.27 -0.18 -1.46 4.22 -1.99 -3.21 114.58 112.23 2rdx h GLU 144 Ca -0.18 -0.46 -0.20 0.00 0.08 0.00 0.00 59.36 58.60 2rdx h GLU 144 Cb 0.54 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2rdx h GLU 144 CO 0.12 1.22 -0.69 0.00 -2.18 0.00 0.00 179.01 177.48 2rdx h ALA 145 N 0.01 0.44 0.00 2.92 0.00 -1.99 -2.42 119.26 118.22 2rdx h ALA 145 Ca -0.38 -0.57 -0.09 0.00 0.00 0.00 0.00 54.91 53.87 2rdx h ALA 145 Cb 1.94 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 2rdx h ALA 145 CO 0.08 0.70 -0.43 0.93 0.00 0.00 0.00 179.25 180.52 2rdx h GLU 146 N 0.53 0.00 -0.01 0.00 5.08 -1.96 -0.99 114.58 117.23 2rdx h GLU 146 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2rdx h GLU 146 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2rdx h GLU 146 CO 0.14 0.43 -0.04 1.15 -1.00 0.00 0.00 179.01 179.69 2rdx h THR 147 N 0.00 1.52 -0.38 1.13 2.02 -1.59 -1.65 112.91 113.97 2rdx h THR 147 Ca -0.00 -1.60 0.05 0.00 0.77 0.00 0.00 66.41 65.63 2rdx h THR 147 Cb 0.85 2.57 -0.02 0.00 -1.74 0.00 0.00 68.15 69.82 2rdx h THR 147 CO 0.06 0.42 0.25 -0.09 0.37 0.00 0.00 175.52 176.53 2rdx h ARG 148 N -0.60 0.30 0.20 6.66 2.43 -1.29 0.11 114.38 122.18 2rdx h ARG 148 Ca -0.00 -0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 58.83 2rdx h ARG 148 Cb 0.71 -0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.22 2rdx h ARG 148 CO 0.01 0.20 -1.43 0.00 -1.51 0.00 0.00 179.97 177.23 2rdx h ALA 149 N 1.79 -0.02 -0.02 2.80 0.00 -1.25 -3.06 119.26 119.51 2rdx h ALA 149 Ca 0.16 -0.91 -0.16 0.00 0.00 0.00 0.00 54.91 54.00 2rdx h ALA 149 Cb 0.26 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2rdx h ALA 149 CO -0.03 0.85 -0.72 1.49 0.00 0.00 0.00 179.25 180.84 2rdx h GLU 150 N 0.11 0.10 -0.12 0.00 4.81 -0.68 -2.52 114.58 116.28 2rdx h GLU 150 Ca -0.22 -0.09 -0.15 0.00 -0.13 0.00 0.00 59.36 58.76 2rdx h GLU 150 Cb 2.09 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.48 2rdx h GLU 150 CO 0.24 0.77 -0.58 -0.07 -0.73 0.00 0.00 179.01 178.64 2rdx h LEU 151 N 0.07 0.44 -1.23 1.64 3.38 -0.95 -2.87 115.31 115.79 2rdx h LEU 151 Ca -0.02 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 2rdx h LEU 151 Cb 1.27 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2rdx h LEU 151 CO 0.10 0.93 0.06 0.00 0.09 0.00 0.00 178.44 179.62 2rdx h ALA 152 N 1.08 1.38 0.02 1.53 0.00 -1.40 0.40 119.26 122.27 2rdx h ALA 152 Ca -0.00 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.51 2rdx h ALA 152 Cb 1.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2rdx h ALA 152 CO 0.10 0.44 -1.02 0.07 0.00 0.00 0.00 179.25 178.84 2rdx h ARG 153 N 0.58 0.05 -0.29 0.00 0.11 -1.44 -1.46 114.38 111.94 2rdx h ARG 153 Ca 0.13 -0.08 -0.17 0.00 0.10 0.00 0.00 59.98 59.96 2rdx h ARG 153 Cb 0.27 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.38 2rdx h ARG 153 CO 0.00 1.02 -0.50 0.45 0.10 0.00 0.00 179.97 181.05 2rdx h HIS 154 N 0.01 1.05 0.03 4.08 3.86 -1.41 -2.29 115.15 120.49 2rdx h HIS 154 Ca -0.03 -0.37 0.02 0.00 -1.16 0.00 0.00 60.37 58.83 2rdx h HIS 154 Cb 1.77 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 30.01 2rdx h HIS 154 CO 0.01 1.19 -0.16 -0.09 0.86 0.00 0.00 177.93 179.74 2rdx h ARG 155 N 0.62 -0.27 -0.93 2.45 2.43 -0.93 -0.38 114.38 117.37 2rdx h ARG 155 Ca 0.02 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.30 2rdx h ARG 155 Cb 1.11 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.65 2rdx h ARG 155 CO 0.11 -0.18 0.60 0.00 -1.51 0.00 0.00 179.97 178.99 2rdx h ALA 156 N 0.64 1.58 0.00 2.80 0.00 -1.29 -1.21 119.26 121.78 2rdx h ALA 156 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2rdx h ALA 156 Cb 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2rdx h ALA 156 CO -0.13 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.34 2rdx n ALA 157 N -2.39 2.07 0.00 0.00 0.00 -0.86 -4.88 120.51 114.45 2rdx n ALA 157 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2rdx n ALA 157 Cb 0.30 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2rdx n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rdx n GLY 158 N 0.70 1.08 3.78 0.00 0.00 -0.46 -3.01 105.19 107.29 2rdx n GLY 158 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2rdx n GLY 158 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rdx s TYR 159 N -2.00 3.77 0.00 1.61 1.51 -0.20 -4.55 117.35 117.48 2rdx s TYR 159 Ca 0.00 1.31 0.00 0.00 -1.01 0.00 0.00 57.07 57.37 2rdx s TYR 159 Cb 0.00 -2.61 0.00 0.00 -0.11 0.00 0.00 41.96 39.24 2rdx s TYR 159 CO 0.00 0.46 0.08 -2.13 -1.11 0.00 0.00 175.55 172.85 2rdx n ARG 160 N 2.19 2.70 -4.84 -0.62 3.00 -1.26 -3.91 116.66 113.92 2rdx n ARG 160 Ca -0.08 -0.08 -0.25 0.00 -0.00 0.00 0.00 57.85 57.45 2rdx n ARG 160 Cb 0.50 -0.42 -0.15 0.00 0.00 0.00 0.00 32.46 32.39 2rdx n ARG 160 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2rdx s GLN 161 N -0.41 1.47 -0.02 -0.14 -0.21 -1.26 -1.73 119.66 117.36 2rdx s GLN 161 Ca 0.00 -0.62 0.02 0.00 0.02 0.00 0.00 55.36 54.78 2rdx s GLN 161 Cb 0.00 -1.40 -0.00 0.00 1.00 0.00 0.00 33.01 32.61 2rdx s GLN 161 CO 0.00 0.36 -0.08 -0.06 -2.12 0.00 0.00 175.29 173.39 2rdx s PHE 162 N -0.34 0.76 -0.35 0.91 0.40 0.30 -1.69 117.98 117.97 2rdx s PHE 162 Ca 0.05 -0.16 -0.15 0.00 -0.60 0.00 0.00 56.93 56.07 2rdx s PHE 162 Cb -0.07 -0.53 -0.01 0.00 0.51 0.00 0.00 43.02 42.92 2rdx s PHE 162 CO -0.00 -0.06 0.35 -1.14 0.70 0.00 0.00 175.22 175.07 2rdx s GLN 163 N 0.05 3.50 -0.49 0.44 0.74 -0.34 -0.73 119.66 122.83 2rdx s GLN 163 Ca -0.00 -0.49 -0.26 0.00 0.05 0.00 0.00 55.36 54.66 2rdx s GLN 163 Cb -0.06 -3.82 0.03 0.00 1.10 0.00 0.00 33.01 30.26 2rdx s GLN 163 CO -0.00 -0.55 0.96 0.42 -0.55 0.00 0.00 175.29 175.58 2rdx s ILE 164 N 1.98 4.40 -0.23 -2.34 1.01 0.10 -3.14 121.20 122.98 2rdx s ILE 164 Ca 0.11 0.69 -0.29 0.00 0.00 0.00 0.00 60.65 61.16 2rdx s ILE 164 Cb -0.17 -4.49 0.00 0.00 0.01 0.00 0.00 42.46 37.81 2rdx s ILE 164 CO 0.12 -0.95 1.16 -0.54 0.00 0.00 0.00 174.94 174.73 2rdx s LYS 165 N 3.94 4.17 0.05 2.79 1.02 -1.26 -1.55 119.74 128.90 2rdx s LYS 165 Ca 0.37 1.42 0.01 0.00 0.02 0.00 0.00 55.97 57.78 2rdx s LYS 165 Cb -0.10 -3.73 -0.00 0.00 -0.52 0.00 0.00 37.83 33.47 2rdx s LYS 165 CO 0.25 -0.77 0.03 1.33 -0.92 0.00 0.00 175.35 175.27 2rdx n VAL 166 N 5.54 0.00 0.00 3.17 0.24 -0.00 -4.96 118.33 122.32 2rdx n VAL 166 Ca 0.13 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 2rdx n VAL 166 Cb 0.46 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 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 1.11 1.11 0.03 7.63 0.00 -1.26 -4.13 105.19 109.69 2rdx n GLY 167 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.35 2.43 -3.23 4.61 0.00 -1.15 -3.86 120.51 118.96 2rdx n ALA 168 Ca 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 53.44 52.71 2rdx n ALA 168 Cb 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 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 -4.65 -0.79 0.40 0.00 2.15 -1.26 -4.85 116.67 107.66 2rdx s ASP 169 Ca -0.08 -0.38 0.20 0.00 0.43 0.00 0.00 52.55 52.73 2rdx s ASP 169 Cb 0.11 1.62 1.16 0.00 -0.30 0.00 0.00 42.92 45.52 2rdx s ASP 169 CO 0.84 -0.28 1.73 4.11 -0.17 0.00 0.00 175.17 181.40 2rdx h TRP 170 N 7.71 0.66 -0.19 -5.34 5.08 -1.93 -0.28 115.95 121.67 2rdx h TRP 170 Ca -0.01 0.02 -0.10 0.00 1.08 0.00 0.00 58.89 59.89 2rdx h TRP 170 Cb 1.16 -0.19 -0.00 0.00 -3.00 0.00 0.00 29.16 27.13 2rdx h TRP 170 CO 0.24 -0.01 -0.26 0.37 -1.28 0.00 0.00 178.44 177.50 2rdx h GLN 171 N 0.33 0.51 0.00 0.12 4.15 -1.96 -1.65 115.11 116.61 2rdx h GLN 171 Ca 0.65 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.78 2rdx h GLN 171 Cb 1.73 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.44 2rdx h GLN 171 CO -0.35 0.89 -0.24 0.66 -1.93 0.00 0.00 178.83 177.86 2rdx h SER 172 N 0.17 0.00 0.04 -0.69 4.64 -1.86 -3.21 113.55 112.64 2rdx h SER 172 Ca 0.02 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2rdx h SER 172 Cb 0.83 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 2rdx h SER 172 CO 0.06 0.01 -0.35 0.44 -0.87 0.00 0.00 176.83 176.12 2rdx h ASP 173 N 0.00 0.45 -0.35 4.97 3.45 -0.85 -1.44 116.42 122.64 2rdx h ASP 173 Ca 0.00 -0.18 0.04 0.00 0.43 0.00 0.00 57.03 57.32 2rdx h ASP 173 Cb 0.94 -0.12 -0.04 0.00 -0.56 0.00 0.00 39.33 39.55 2rdx h ASP 173 CO 0.00 0.77 0.12 0.40 -1.57 0.00 0.00 179.24 178.96 2rdx h ILE 174 N 0.37 0.90 -0.62 0.35 2.04 -1.31 -2.14 117.51 117.09 2rdx h ILE 174 Ca 0.04 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 2rdx h ILE 174 Cb 0.79 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 2rdx h ILE 174 CO 0.06 0.05 0.20 0.44 0.00 0.00 0.00 178.15 178.90 2rdx h ASP 175 N 0.27 0.87 -0.40 1.72 3.32 -1.53 -1.41 116.42 119.25 2rdx h ASP 175 Ca 0.16 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 2rdx h ASP 175 Cb 0.14 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2rdx h ASP 175 CO -0.17 0.81 -0.03 0.03 -1.72 0.00 0.00 179.24 178.17 2rdx h ARG 176 N 0.91 0.73 -0.27 3.56 3.08 -1.14 -1.57 114.38 119.68 2rdx h ARG 176 Ca 0.21 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 2rdx h ARG 176 Cb 0.25 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2rdx h ARG 176 CO -0.01 0.83 -0.05 0.82 -1.07 0.00 0.00 179.97 180.49 2rdx h ILE 177 N 0.56 1.28 0.00 2.04 2.04 -1.25 -2.62 117.51 119.55 2rdx h ILE 177 Ca 0.11 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 2rdx h ILE 177 Cb 0.52 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2rdx h ILE 177 CO 0.03 0.33 -0.14 0.03 0.00 0.00 0.00 178.15 178.40 2rdx h ARG 178 N 0.26 0.00 0.00 2.37 3.08 -1.23 -2.65 114.38 116.21 2rdx h ARG 178 Ca 0.07 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 2rdx h ARG 178 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2rdx h ARG 178 CO 0.02 0.14 -1.20 0.00 -1.07 0.00 0.00 179.97 177.87 2rdx n ALA 179 N -2.44 2.30 -0.03 0.04 0.00 -0.60 -4.35 120.51 115.43 2rdx n ALA 179 Ca -0.02 -0.36 -0.10 0.00 0.00 0.00 0.00 53.44 52.95 2rdx n ALA 179 Cb 0.22 -1.04 -0.14 0.00 0.00 0.00 0.00 19.45 18.49 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 0.01 1.05 0.00 0.00 3.38 -1.67 -2.39 115.31 115.69 2rdx h LEU 181 Ca -0.34 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2rdx h LEU 181 Cb 2.05 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.52 2rdx h LEU 181 CO 0.07 0.99 0.00 -2.65 0.09 0.00 0.00 178.44 176.94 2rdx n PRO 182 N -4.27 0.23 0.00 1.13 -0.02 -1.26 -2.80 135.00 128.00 2rdx n PRO 182 Ca 0.05 0.13 0.12 0.00 -2.02 0.00 0.00 63.50 61.78 2rdx n PRO 182 Cb 0.23 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.37 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 -1.29 1.24 -4.92 2.45 4.32 -0.90 -4.88 117.00 113.01 2rdx n LEU 183 Ca 0.08 -0.41 -0.29 0.00 -0.02 0.00 0.00 56.01 55.37 2rdx n LEU 183 Cb 0.13 -0.09 -0.04 0.00 -1.62 0.00 0.00 43.42 41.81 2rdx n LEU 183 CO 0.13 0.25 -0.07 -0.76 -1.22 0.00 0.00 177.39 175.71 2rdx s LEU 184 N -2.67 4.31 0.45 2.23 1.43 -1.12 -4.97 118.68 118.34 2rdx s LEU 184 Ca 0.17 0.32 0.07 0.00 -1.03 0.00 0.00 54.13 53.66 2rdx s LEU 184 Cb 0.18 -3.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.34 2rdx s LEU 184 CO 0.63 0.08 0.32 -1.83 0.23 0.00 0.00 176.35 175.78 2rdx s GLU 185 N -2.90 2.37 0.20 1.70 -1.05 -1.26 -5.02 118.70 112.74 2rdx s GLU 185 Ca 0.36 -1.76 0.23 0.00 -0.15 0.00 0.00 54.97 53.66 2rdx s GLU 185 Cb -0.12 -2.18 0.14 0.00 -0.44 0.00 0.00 34.13 31.53 2rdx s GLU 185 CO 0.28 -0.28 1.18 -1.35 0.95 0.00 0.00 175.26 176.04 2rdx h PRO 186 N 1.08 0.00 0.00 -4.83 0.11 -2.00 -0.77 132.00 125.59 2rdx h PRO 186 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2rdx h PRO 186 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2rdx h PRO 186 CO 0.61 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.81 2rdx n GLY 187 N 1.22 -0.80 3.90 -0.55 0.00 -1.26 -4.92 105.19 102.77 2rdx n GLY 187 Ca 0.01 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 3.27 -0.08 1.61 2.02 -0.30 -5.02 118.70 118.21 2rdx s GLU 188 Ca 0.38 -0.68 0.04 0.00 0.02 0.00 0.00 54.97 54.73 2rdx s GLU 188 Cb 0.17 -2.87 0.00 0.00 0.10 0.00 0.00 34.13 31.53 2rdx s GLU 188 CO 0.29 0.51 -0.21 0.15 0.02 0.00 0.00 175.26 176.02 2rdx s LYS 189 N -3.17 2.56 -0.12 1.61 1.02 -0.71 -4.95 119.74 115.99 2rdx s LYS 189 Ca 0.33 -0.76 -0.02 0.00 0.02 0.00 0.00 55.97 55.54 2rdx s LYS 189 Cb -0.11 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.16 2rdx s LYS 189 CO 0.27 0.19 -0.06 0.00 -0.92 0.00 0.00 175.35 174.83 2rdx s ALA 190 N 0.28 2.96 -0.19 5.17 0.00 -1.26 -0.54 121.76 128.18 2rdx s ALA 190 Ca -0.14 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 50.99 2rdx s ALA 190 Cb -0.16 -1.40 0.03 0.00 0.00 0.00 0.00 23.12 21.58 2rdx s ALA 190 CO 0.06 0.35 -0.18 0.00 0.00 0.00 0.00 175.76 175.99 2rdx s MET 191 N -0.08 2.87 -0.64 0.00 0.23 0.09 -0.34 119.30 121.43 2rdx s MET 191 Ca 0.01 -0.91 -0.22 0.00 -1.03 0.00 0.00 55.69 53.54 2rdx s MET 191 Cb -0.13 -2.63 0.07 0.00 -1.53 0.00 0.00 34.83 30.61 2rdx s MET 191 CO 0.03 -0.27 0.92 0.00 -2.03 0.00 0.00 175.02 173.67 2rdx s ALA 192 N 1.26 3.16 -0.39 3.16 0.00 0.31 -0.72 121.76 128.53 2rdx s ALA 192 Ca 0.03 -1.85 -0.18 0.00 0.00 0.00 0.00 51.96 49.96 2rdx s ALA 192 Cb -0.14 -3.79 0.01 0.00 0.00 0.00 0.00 23.12 19.19 2rdx s ALA 192 CO -0.12 -2.67 0.47 0.34 0.00 0.00 0.00 175.76 173.78 2rdx s ASP 193 N 3.59 6.24 0.25 0.00 -1.08 -0.60 -0.63 116.67 124.45 2rdx s ASP 193 Ca 0.21 -0.39 0.24 0.00 -0.52 0.00 0.00 52.55 52.09 2rdx s ASP 193 Cb -0.18 -2.24 0.37 0.00 -1.46 0.00 0.00 42.92 39.41 2rdx s ASP 193 CO 0.10 -0.54 1.44 0.00 0.52 0.00 0.00 175.17 176.69 2rdx h ALA 194 N 8.64 0.78 -5.96 3.66 0.00 -1.60 0.03 119.26 124.80 2rdx h ALA 194 Ca -0.27 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.25 2rdx h ALA 194 Cb 1.12 0.00 0.10 0.00 0.00 0.00 0.00 17.79 19.00 2rdx h ALA 194 CO 0.79 0.00 -0.85 -1.71 0.00 0.00 0.00 179.25 177.48 2rdx n ASN 195 N -2.56 -2.91 -0.91 0.00 5.15 -1.22 -1.40 115.26 111.41 2rdx n ASN 195 Ca 0.03 -0.82 -0.12 0.00 -0.60 0.00 0.00 54.58 53.07 2rdx n ASN 195 Cb 0.49 -4.23 -0.05 0.00 -0.53 0.00 0.00 39.78 35.46 2rdx n ASN 195 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2rdx n GLN 196 N -4.07 -1.22 0.08 1.20 6.02 -0.77 -4.37 117.38 114.25 2rdx n GLN 196 Ca -0.22 0.89 -0.18 0.00 -0.01 0.00 0.00 57.00 57.48 2rdx n GLN 196 Cb 0.65 -5.06 -0.09 0.00 1.02 0.00 0.00 30.24 26.76 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 0.56 -3.40 1.08 0.00 -1.25 -3.30 103.07 96.76 2rdx h GLY 197 Ca -0.24 -1.09 -0.51 0.00 0.00 0.00 0.00 47.33 45.48 2rdx h GLY 197 CO 0.36 0.96 0.09 -0.98 0.00 0.00 0.00 176.54 176.97 2rdx s TRP 198 N -3.09 3.55 0.44 5.60 0.51 -0.44 -4.69 118.94 120.83 2rdx s TRP 198 Ca -0.07 1.31 -0.22 0.00 -2.12 0.00 0.00 56.10 54.99 2rdx s TRP 198 Cb 0.07 -2.57 -0.09 0.00 -0.81 0.00 0.00 33.47 30.07 2rdx s TRP 198 CO 0.90 0.25 1.03 0.50 -0.51 0.00 0.00 176.95 179.13 2rdx s ARG 199 N -2.34 4.01 0.30 4.98 3.52 -1.26 -4.40 118.95 123.76 2rdx s ARG 199 Ca 0.47 1.41 0.02 0.00 -0.13 0.00 0.00 55.73 57.49 2rdx s ARG 199 Cb -0.14 -2.31 0.56 0.00 -1.56 0.00 0.00 34.95 31.50 2rdx s ARG 199 CO 0.20 -0.26 1.87 -0.24 -0.81 0.00 0.00 175.30 176.06 2rdx h VAL 200 N 1.89 0.97 -0.51 7.11 3.04 -1.94 -1.50 116.25 125.30 2rdx h VAL 200 Ca -0.49 -0.34 -0.12 0.00 -1.01 0.00 0.00 66.70 64.74 2rdx h VAL 200 Cb 1.21 -0.11 -0.02 0.00 -2.01 0.00 0.00 31.29 30.37 2rdx h VAL 200 CO 0.61 0.18 -0.14 -2.24 -1.01 0.00 0.00 177.57 174.97 2rdx h ASP 201 N 0.99 1.00 0.40 3.17 2.03 -1.98 -2.51 116.42 119.52 2rdx h ASP 201 Ca 0.45 -0.37 -0.17 0.00 -0.73 0.00 0.00 57.03 56.21 2rdx h ASP 201 Cb 0.40 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.61 2rdx h ASP 201 CO -0.21 1.14 -0.73 0.78 -1.03 0.00 0.00 179.24 179.19 2rdx h ASN 202 N 0.86 0.33 -0.54 4.15 2.35 -1.79 -1.78 115.58 119.16 2rdx h ASN 202 Ca 0.13 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.59 2rdx h ASN 202 Cb 0.71 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.95 2rdx h ASN 202 CO 0.05 0.95 0.11 0.00 -1.65 0.00 0.00 177.43 176.89 2rdx h ALA 203 N 1.04 1.08 -0.32 -0.83 0.00 -1.27 -1.12 119.26 117.84 2rdx h ALA 203 Ca -0.03 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2rdx h ALA 203 Cb 1.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2rdx h ALA 203 CO 0.12 0.60 -0.05 0.82 0.00 0.00 0.00 179.25 180.73 2rdx h ILE 204 N 0.89 1.27 -0.46 0.00 2.04 -1.28 -1.00 117.51 118.97 2rdx h ILE 204 Ca 0.18 -1.07 0.07 0.00 1.00 0.00 0.00 64.86 65.04 2rdx h ILE 204 Cb 0.37 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 2rdx h ILE 204 CO 0.01 0.35 0.14 0.03 0.00 0.00 0.00 178.15 178.67 2rdx h ARG 205 N 0.39 0.29 -0.30 2.37 3.08 -1.17 -0.32 114.38 118.72 2rdx h ARG 205 Ca 0.09 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2rdx h ARG 205 Cb 0.53 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2rdx h ARG 205 CO 0.03 0.19 0.18 1.25 -1.07 0.00 0.00 179.97 180.55 2rdx h LEU 206 N 0.30 0.36 -1.00 3.04 6.46 -1.12 -1.37 115.31 121.98 2rdx h LEU 206 Ca 0.22 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 2rdx h LEU 206 Cb 0.24 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.04 2rdx h LEU 206 CO -0.25 0.30 0.49 0.00 -0.62 0.00 0.00 178.44 178.37 2rdx h ALA 207 N 1.07 1.24 -0.52 1.25 0.00 -0.88 -2.32 119.26 119.11 2rdx h ALA 207 Ca 0.11 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2rdx h ALA 207 Cb 0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2rdx h ALA 207 CO -0.02 0.63 -0.07 0.00 0.00 0.00 0.00 179.25 179.79 2rdx h ARG 208 N 1.20 0.97 0.00 0.00 3.08 -0.91 -2.36 114.38 116.35 2rdx h ARG 208 Ca 0.31 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2rdx h ARG 208 Cb -0.01 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2rdx h ARG 208 CO -0.05 1.01 0.00 0.00 -1.07 0.00 0.00 179.97 179.86 2rdx n ALA 209 N -2.48 2.04 -1.58 0.04 0.00 -0.53 -2.82 120.51 115.19 2rdx n ALA 209 Ca 0.01 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.47 2rdx n ALA 209 Cb 0.37 -1.39 0.13 0.00 0.00 0.00 0.00 19.45 18.56 2rdx n ALA 209 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2rdx n THR 210 N -1.77 1.49 0.28 0.00 -2.24 -0.91 -4.81 114.28 106.33 2rdx n THR 210 Ca 0.05 -2.14 0.15 0.00 -2.27 0.00 0.00 64.05 59.84 2rdx n THR 210 Cb 0.30 0.03 0.84 0.00 -2.10 0.00 0.00 70.33 69.39 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 0.49 0.00 -0.17 -0.78 0.11 -1.26 -2.45 114.38 110.32 2rdx h ARG 211 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2rdx h ARG 211 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 2rdx h ARG 211 CO 0.01 0.07 0.00 -0.40 0.10 0.00 0.00 179.97 179.75 2rdx n ASP 212 N -3.54 1.19 -4.46 0.08 5.75 -1.26 -4.91 116.55 109.40 2rdx n ASP 212 Ca -0.02 -1.80 -0.31 0.00 -0.01 0.00 0.00 54.79 52.66 2rdx n ASP 212 Cb 0.19 -0.11 -0.13 0.00 -1.03 0.00 0.00 41.12 40.04 2rdx n ASP 212 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2rdx s LEU 213 N -1.30 2.61 -0.54 -2.12 1.43 -0.92 -5.09 118.68 112.75 2rdx s LEU 213 Ca 0.24 -0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 52.75 2rdx s LEU 213 Cb 0.12 -1.52 0.11 0.00 0.03 0.00 0.00 46.19 44.94 2rdx s LEU 213 CO 0.18 0.26 0.52 -0.62 0.23 0.00 0.00 176.35 176.92 2rdx s ASP 214 N -1.42 6.18 0.17 2.29 2.15 -1.26 -4.92 116.67 119.86 2rdx s ASP 214 Ca 0.15 -1.63 -0.13 0.00 0.43 0.00 0.00 52.55 51.37 2rdx s ASP 214 Cb -0.10 -2.22 0.01 0.00 -0.30 0.00 0.00 42.92 40.30 2rdx s ASP 214 CO 0.05 -0.86 0.37 -0.72 -0.17 0.00 0.00 175.17 173.84 2rdx s TYR 215 N 1.80 0.13 -0.32 -5.34 -0.85 -1.26 -4.72 117.35 106.79 2rdx s TYR 215 Ca 0.05 -0.49 -0.19 0.00 -0.52 0.00 0.00 57.07 55.92 2rdx s TYR 215 Cb -0.28 0.14 -0.01 0.00 0.38 0.00 0.00 41.96 42.19 2rdx s TYR 215 CO 0.04 -0.78 0.55 0.42 -1.52 0.00 0.00 175.55 174.26 2rdx s ILE 216 N -3.91 5.00 -0.47 -3.49 1.01 0.54 -4.00 121.20 115.88 2rdx s ILE 216 Ca 0.12 0.58 -0.27 0.00 0.00 0.00 0.00 60.65 61.08 2rdx s ILE 216 Cb 0.02 -3.95 0.03 0.00 0.01 0.00 0.00 42.46 38.57 2rdx s ILE 216 CO -0.03 -0.14 1.01 -0.22 0.00 0.00 0.00 174.94 175.55 2rdx s LEU 217 N 2.45 3.87 -0.19 2.97 2.96 -0.10 -0.53 118.68 130.11 2rdx s LEU 217 Ca 0.21 0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 54.29 2rdx s LEU 217 Cb -0.15 -3.30 -0.02 0.00 0.50 0.00 0.00 46.19 43.22 2rdx s LEU 217 CO 0.12 -1.14 -0.02 -0.70 -1.32 0.00 0.00 176.35 173.29 2rdx s GLU 218 N 4.04 3.60 -0.76 1.98 2.12 0.20 -1.42 118.70 128.46 2rdx s GLU 218 Ca 0.41 -0.54 -0.21 0.00 0.36 0.00 0.00 54.97 54.99 2rdx s GLU 218 Cb -0.09 -3.01 0.03 0.00 0.26 0.00 0.00 34.13 31.32 2rdx s GLU 218 CO 0.28 0.06 0.43 0.94 -0.54 0.00 0.00 175.26 176.43 2rdx n GLN 219 N 4.08 -0.54 -0.08 4.30 -0.06 0.66 -2.23 117.38 123.50 2rdx n GLN 219 Ca -0.17 -0.10 0.05 0.00 -2.00 0.00 0.00 57.00 54.78 2rdx n GLN 219 Cb 0.52 -1.24 0.39 0.00 -4.06 0.00 0.00 30.24 25.86 2rdx n GLN 219 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 2rdx h PRO 220 N -0.54 0.63 -5.20 3.69 0.13 -1.86 -2.05 132.00 126.80 2rdx h PRO 220 Ca -0.46 -0.04 -0.50 0.00 -0.87 0.00 0.00 66.00 64.13 2rdx h PRO 220 Cb 0.90 -0.14 -0.14 0.00 0.13 0.00 0.00 31.00 31.76 2rdx h PRO 220 CO 0.33 0.41 -0.58 0.00 -0.23 0.00 0.00 178.00 177.92 2rdx h ARG 222 N 2.01 -0.69 -6.87 0.00 2.43 -1.80 -3.38 114.38 106.08 2rdx h ARG 222 Ca -0.40 0.05 -0.48 0.00 -0.81 0.00 0.00 59.98 58.34 2rdx h ARG 222 Cb 1.25 0.16 0.03 0.00 -0.42 0.00 0.00 29.97 30.99 2rdx h ARG 222 CO 0.67 -0.41 0.05 -1.54 -1.51 0.00 0.00 179.97 177.24 2rdx s SER 223 N -4.73 6.12 0.18 -3.80 1.04 -1.26 -4.67 113.70 106.57 2rdx s SER 223 Ca -0.13 0.74 -0.12 0.00 0.48 0.00 0.00 55.95 56.92 2rdx s SER 223 Cb 0.01 -2.05 0.09 0.00 0.10 0.00 0.00 66.02 64.17 2rdx s SER 223 CO 0.42 -0.62 1.79 0.22 0.98 0.00 0.00 173.24 176.03 2rdx h TYR 224 N 0.27 0.84 -0.81 5.02 3.20 -1.94 -2.50 116.97 121.06 2rdx h TYR 224 Ca -0.47 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.36 2rdx h TYR 224 Cb 1.22 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.18 2rdx h TYR 224 CO 0.54 0.62 0.46 0.93 -1.64 0.00 0.00 178.16 179.07 2rdx h GLU 225 N 0.83 1.11 -0.50 1.82 3.07 -1.99 -0.02 114.58 118.90 2rdx h GLU 225 Ca 0.21 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.36 58.91 2rdx h GLU 225 Cb 0.06 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.72 2rdx h GLU 225 CO -0.03 0.80 0.12 0.93 -1.40 0.00 0.00 179.01 179.43 2rdx h GLU 226 N 1.11 0.81 -0.87 2.33 5.08 -1.95 -1.81 114.58 119.28 2rdx h GLU 226 Ca 0.29 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2rdx h GLU 226 Cb -0.00 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 2rdx h GLU 226 CO -0.05 0.78 0.47 0.00 -1.00 0.00 0.00 179.01 179.21 2rdx h GLN 228 N 1.22 0.87 -0.74 0.00 1.08 -0.90 -0.92 115.11 115.73 2rdx h GLN 228 Ca 0.31 -0.17 -0.05 0.00 -1.45 0.00 0.00 58.65 57.28 2rdx h GLN 228 Cb 0.04 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.30 2rdx h GLN 228 CO -0.05 0.77 0.25 0.37 -0.95 0.00 0.00 178.83 179.22 2rdx h GLN 229 N 0.84 1.12 -0.60 1.46 4.15 -0.76 -1.69 115.11 119.63 2rdx h GLN 229 Ca 0.19 -0.22 -0.10 0.00 0.77 0.00 0.00 58.65 59.28 2rdx h GLN 229 Cb 0.28 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 2rdx h GLN 229 CO -0.00 0.94 -0.01 0.28 -1.93 0.00 0.00 178.83 178.11 2rdx h VAL 230 N 1.09 1.27 0.00 2.39 2.07 -1.15 -3.01 116.25 118.91 2rdx h VAL 230 Ca 0.24 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 2rdx h VAL 230 Cb 0.27 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2rdx h VAL 230 CO -0.01 0.42 -0.06 -0.09 0.02 0.00 0.00 177.57 177.85 2rdx h ARG 231 N 0.96 0.00 -0.60 1.57 2.43 -0.82 0.16 114.38 118.09 2rdx h ARG 231 Ca 0.17 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.42 2rdx h ARG 231 Cb 0.58 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 2rdx h ARG 231 CO 0.03 0.06 0.40 -0.09 -1.51 0.00 0.00 179.97 178.86 2rdx h ARG 232 N 0.00 0.47 0.00 0.20 2.43 -1.17 -3.28 114.38 113.04 2rdx h ARG 232 Ca -0.00 -0.03 -0.27 0.00 -0.81 0.00 0.00 59.98 58.88 2rdx h ARG 232 Cb 0.23 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 2rdx h ARG 232 CO 0.01 0.31 -2.01 0.28 -1.51 0.00 0.00 179.97 177.06 2rdx n VAL 233 N -4.48 1.01 -2.98 0.20 0.31 -0.66 -4.98 118.33 106.75 2rdx n VAL 233 Ca 0.09 -0.43 -0.41 0.00 -0.01 0.00 0.00 64.34 63.58 2rdx n VAL 233 Cb 0.31 -1.03 -0.05 0.00 -0.91 0.00 0.00 33.84 32.16 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 3.51 -0.66 3.52 0.00 -0.05 -4.94 121.76 120.80 2rdx s ALA 234 Ca -0.21 -0.07 0.24 0.00 0.00 0.00 0.00 51.96 51.93 2rdx s ALA 234 Cb 0.06 -3.12 0.28 0.00 0.00 0.00 0.00 23.12 20.34 2rdx s ALA 234 CO 0.45 -0.57 1.25 -0.25 0.00 0.00 0.00 175.76 176.63 2rdx n ASP 235 N 5.05 0.66 -4.61 0.00 8.00 -1.26 -4.65 116.55 119.74 2rdx n ASP 235 Ca 0.02 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.10 2rdx n ASP 235 Cb 0.49 0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.93 2rdx n ASP 235 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rdx n GLN 236 N -2.02 1.41 -1.66 -1.24 3.00 -1.26 -4.87 117.38 110.74 2rdx n GLN 236 Ca 0.03 0.50 -0.49 0.00 -0.01 0.00 0.00 57.00 57.03 2rdx n GLN 236 Cb 0.43 -2.02 -0.05 0.00 0.00 0.00 0.00 30.24 28.60 2rdx n GLN 236 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 2rdx n PRO 237 N 0.30 1.85 -3.80 -1.09 -0.02 -1.26 -4.75 135.00 126.23 2rdx n PRO 237 Ca 0.09 0.67 -0.35 0.00 -2.02 0.00 0.00 63.50 61.89 2rdx n PRO 237 Cb 0.38 -2.42 -0.09 0.00 -0.02 0.00 0.00 33.50 31.35 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 1.70 4.10 -0.21 -0.52 1.75 -1.26 -0.92 119.30 123.94 2rdx s MET 238 Ca 0.85 -0.27 -0.05 0.00 -1.25 0.00 0.00 55.69 54.97 2rdx s MET 238 Cb -0.78 -3.37 -0.02 0.00 2.84 0.00 0.00 34.83 33.49 2rdx s MET 238 CO 0.45 0.25 0.01 0.21 -0.65 0.00 0.00 175.02 175.30 2rdx s LYS 239 N 0.47 3.63 -0.01 4.11 2.20 -0.51 -0.17 119.74 129.46 2rdx s LYS 239 Ca 0.06 -0.51 -0.02 0.00 -0.36 0.00 0.00 55.97 55.15 2rdx s LYS 239 Cb -0.12 -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 0.13 -0.51 -0.36 0.00 0.00 175.35 174.59 2rdx s LEU 240 N 1.07 4.12 0.00 5.43 1.43 -0.73 -0.24 118.68 129.75 2rdx s LEU 240 Ca 0.02 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 2rdx s LEU 240 Cb -0.14 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.68 2rdx s LEU 240 CO 0.02 0.28 0.00 -0.67 0.23 0.00 0.00 176.35 176.21 2rdx n ASP 241 N 1.15 0.00 0.29 2.29 -0.08 -1.26 -0.07 116.55 118.86 2rdx n ASP 241 Ca -0.13 0.00 0.19 0.00 -1.51 0.00 0.00 54.79 53.34 2rdx n ASP 241 Cb 0.53 0.00 0.83 0.00 2.34 0.00 0.00 41.12 44.82 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 -1.94 -0.94 114.58 114.10 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 0.00 -0.32 0.00 -1.40 0.00 0.00 179.01 177.29 2rdx s VAL 244 N -3.18 3.67 -0.87 0.00 1.01 -0.36 -4.74 120.40 115.94 2rdx s VAL 244 Ca 0.07 -0.73 0.16 0.00 0.00 0.00 0.00 61.98 61.48 2rdx s VAL 244 Cb 0.11 -4.53 -0.15 0.00 0.00 0.00 0.00 36.38 31.80 2rdx s VAL 244 CO 0.68 -1.36 0.71 0.35 0.00 0.00 0.00 175.10 175.48 2rdx n THR 245 N 7.42 0.00 -3.14 3.92 -2.24 -1.26 -4.66 114.28 114.32 2rdx n THR 245 Ca 0.40 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 2rdx n THR 245 Cb 0.48 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 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 1.35 -1.24 0.23 3.38 0.00 -1.26 -4.34 105.19 103.31 2rdx n GLY 246 Ca 0.04 -0.86 -0.03 0.00 0.00 0.00 0.00 46.02 45.17 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 0.43 -0.96 0.99 5.85 -1.93 -2.54 115.31 117.15 2rdx h LEU 247 Ca 0.00 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 2rdx h LEU 247 Cb 0.00 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2rdx h LEU 247 CO 0.00 0.68 -0.22 0.45 -0.34 0.00 0.00 178.44 179.01 2rdx h HIS 248 N 0.38 0.00 0.14 1.25 3.86 -1.99 -0.60 115.15 118.20 2rdx h HIS 248 Ca 0.06 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.05 2rdx h HIS 248 Cb 0.65 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.14 2rdx h HIS 248 CO 0.02 0.22 -1.01 1.98 0.86 0.00 0.00 177.93 180.00 2rdx h MET 249 N 0.00 0.31 -0.97 2.45 1.85 -1.91 -3.12 114.93 113.53 2rdx h MET 249 Ca -0.00 -0.52 0.12 0.00 -0.61 0.00 0.00 59.70 58.69 2rdx h MET 249 Cb 0.81 0.19 -0.08 0.00 0.43 0.00 0.00 31.60 32.95 2rdx h MET 249 CO 0.03 1.25 0.62 0.00 -0.40 0.00 0.00 176.91 178.41 2rdx h ALA 250 N 0.06 1.59 -0.39 0.39 0.00 -1.18 0.14 119.26 119.87 2rdx h ALA 250 Ca -0.19 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2rdx h ALA 250 Cb 1.71 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2rdx h ALA 250 CO 0.14 0.16 0.18 1.96 0.00 0.00 0.00 179.25 181.69 2rdx h GLN 251 N 0.93 0.57 -0.50 0.00 4.20 -1.22 -0.06 115.11 119.04 2rdx h GLN 251 Ca 0.48 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 59.11 2rdx h GLN 251 Cb 0.53 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 2rdx h GLN 251 CO -0.25 0.52 0.33 -0.09 -0.67 0.00 0.00 178.83 178.67 2rdx h ARG 252 N 0.49 0.65 -0.34 1.46 2.43 -1.30 0.90 114.38 118.67 2rdx h ARG 252 Ca 0.13 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2rdx h ARG 252 Cb 0.14 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2rdx h ARG 252 CO -0.02 0.43 0.14 0.82 -1.51 0.00 0.00 179.97 179.83 2rdx h ILE 253 N 0.67 1.19 -0.06 1.20 2.04 -0.54 -0.84 117.51 121.16 2rdx h ILE 253 Ca 0.18 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 2rdx h ILE 253 Cb -0.07 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2rdx h ILE 253 CO -0.04 0.20 0.02 0.58 0.00 0.00 0.00 178.15 178.91 2rdx h VAL 254 N 0.41 1.15 -0.75 1.67 2.07 -0.90 0.19 116.25 120.09 2rdx h VAL 254 Ca 0.11 -0.45 0.15 0.00 0.82 0.00 0.00 66.70 67.33 2rdx h VAL 254 Cb 0.19 1.35 -0.10 0.00 -1.52 0.00 0.00 31.29 31.20 2rdx h VAL 254 CO -0.01 0.13 0.28 0.00 0.02 0.00 0.00 177.57 177.98 2rdx h ALA 255 N 0.85 1.04 0.00 1.67 0.00 -0.71 -0.53 119.26 121.58 2rdx h ALA 255 Ca 0.02 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2rdx h ALA 255 Cb 0.18 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2rdx h ALA 255 CO -0.00 -0.24 -0.04 -0.25 0.00 0.00 0.00 179.25 178.72 2rdx n ASP 256 N -5.03 0.83 -3.92 0.00 8.00 -0.33 -4.93 116.55 111.16 2rdx n ASP 256 Ca 0.14 0.55 -0.28 0.00 0.71 0.00 0.00 54.79 55.91 2rdx n ASP 256 Cb 0.43 -0.74 -0.01 0.00 -0.02 0.00 0.00 41.12 40.78 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 -2.28 -2.56 -0.25 -1.24 5.12 0.24 -4.91 116.66 110.79 2rdx n ARG 257 Ca 0.05 0.38 0.09 0.00 -1.93 0.00 0.00 57.85 56.45 2rdx n ARG 257 Cb 0.43 -4.27 0.25 0.00 -1.16 0.00 0.00 32.46 27.72 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 -1.96 1.48 3.40 -0.13 0.00 0.41 -4.89 105.19 103.51 2rdx n GLY 258 Ca -0.25 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.34 -1.35 -0.05 4.61 0.00 -1.26 -4.95 121.76 117.42 2rdx s ALA 259 Ca 0.37 0.27 0.22 0.00 0.00 0.00 0.00 51.96 52.81 2rdx s ALA 259 Cb 0.19 0.83 -0.31 0.00 0.00 0.00 0.00 23.12 23.83 2rdx s ALA 259 CO 0.26 -0.74 0.49 0.39 0.00 0.00 0.00 175.76 176.17 2rdx n GLU 260 N -0.33 0.66 -3.79 0.00 4.71 0.77 -4.93 120.64 117.72 2rdx n GLU 260 Ca -0.16 -0.16 -0.13 0.00 -0.01 0.00 0.00 57.16 56.69 2rdx n GLU 260 Cb 0.64 -1.54 -0.14 0.00 -1.01 0.00 0.00 31.44 29.39 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 -3.44 -0.03 -0.20 -3.67 1.01 -0.95 -4.10 121.20 109.82 2rdx s ILE 261 Ca -0.08 0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.64 2rdx s ILE 261 Cb 0.13 -0.17 -0.02 0.00 0.01 0.00 0.00 42.46 42.42 2rdx s ILE 261 CO 0.90 0.04 -0.02 0.00 0.00 0.00 0.00 174.94 175.86 2rdx s LEU 264 N 1.94 5.46 -0.34 0.00 1.43 0.29 -4.62 118.68 122.83 2rdx s LEU 264 Ca 0.28 -2.07 -0.19 0.00 -1.03 0.00 0.00 54.13 51.12 2rdx s LEU 264 Cb -0.16 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 2rdx s LEU 264 CO 0.10 -0.59 0.58 -0.54 0.23 0.00 0.00 176.35 176.13 2rdx s LYS 265 N 1.10 3.69 0.25 1.70 1.02 -1.26 -1.10 119.74 125.14 2rdx s LYS 265 Ca 0.08 -0.01 -0.10 0.00 0.02 0.00 0.00 55.97 55.97 2rdx s LYS 265 Cb -0.24 -3.80 0.39 0.00 -0.52 0.00 0.00 37.83 33.67 2rdx s LYS 265 CO -0.03 -0.66 1.59 0.82 -0.92 0.00 0.00 175.35 176.14 2rdx h ILE 266 N 5.63 0.15 -0.00 2.17 2.04 -1.62 -1.00 117.51 124.88 2rdx h ILE 266 Ca -0.27 -0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.42 2rdx h ILE 266 Cb 1.12 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2rdx h ILE 266 CO 0.80 0.00 -0.79 0.28 0.00 0.00 0.00 178.15 178.44 2rdx h SER 267 N 0.01 0.03 0.97 1.72 0.02 -1.88 0.10 113.55 114.52 2rdx h SER 267 Ca 0.42 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.30 2rdx h SER 267 Cb 0.65 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 2rdx h SER 267 CO -0.87 0.81 -0.23 -1.13 -1.14 0.00 0.00 176.83 174.26 2rdx h ASN 268 N 0.01 0.00 0.48 3.07 -1.24 -1.61 -2.32 115.58 113.97 2rdx h ASN 268 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 2rdx h ASN 268 Cb 1.40 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.45 2rdx h ASN 268 CO 0.11 0.23 -0.28 0.18 -1.29 0.00 0.00 177.43 176.38 2rdx n LEU 269 N -3.37 0.55 0.00 0.34 4.77 -0.52 -4.59 117.00 114.17 2rdx n LEU 269 Ca 0.00 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2rdx n LEU 269 Cb 0.45 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2rdx n LEU 269 CO 0.34 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2rdx n GLY 270 N 1.41 0.92 0.00 -0.72 0.00 -0.88 -4.43 105.19 101.49 2rdx n GLY 270 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.14 2.76 0.32 -0.02 0.00 -0.01 -4.20 105.19 101.90 2rdx n GLY 271 Ca 0.00 -2.06 0.11 0.00 0.00 0.00 0.00 46.02 44.07 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 0.22 0.06 0.99 5.85 -1.83 0.70 115.31 121.31 2rdx h LEU 272 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2rdx h LEU 272 Cb 0.00 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2rdx h LEU 272 CO 0.00 0.15 -0.03 0.28 -0.34 0.00 0.00 178.44 178.50 2rdx h SER 273 N 0.25 -0.07 0.94 1.25 0.02 -1.91 -0.44 113.55 113.60 2rdx h SER 273 Ca 0.17 -0.19 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 2rdx h SER 273 Cb 0.36 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2rdx h SER 273 CO -0.03 0.15 -0.60 0.11 -1.14 0.00 0.00 176.83 175.32 2rdx h LYS 274 N -0.29 0.00 -0.31 3.45 1.57 -1.77 -2.83 116.57 116.39 2rdx h LYS 274 Ca -0.01 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 2rdx h LYS 274 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2rdx h LYS 274 CO 0.01 0.60 -0.20 0.00 -0.57 0.00 0.00 179.45 179.29 2rdx h ALA 275 N 1.40 0.44 -0.77 3.86 0.00 -0.85 -2.05 119.26 121.30 2rdx h ALA 275 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2rdx h ALA 275 Cb 1.23 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2rdx h ALA 275 CO 0.08 0.38 0.50 -0.09 0.00 0.00 0.00 179.25 180.11 2rdx h ARG 276 N 0.43 1.02 -0.27 0.00 2.43 -1.06 0.60 114.38 117.52 2rdx h ARG 276 Ca 0.06 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 2rdx h ARG 276 Cb 0.74 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2rdx h ARG 276 CO 0.05 0.68 -0.51 0.00 -1.51 0.00 0.00 179.97 178.68 2rdx h ARG 277 N 1.04 0.77 -0.52 0.20 3.08 -1.49 -0.09 114.38 117.38 2rdx h ARG 277 Ca 0.28 -0.47 -0.09 0.00 0.07 0.00 0.00 59.98 59.77 2rdx h ARG 277 Cb -0.10 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2rdx h ARG 277 CO -0.06 1.10 -0.03 1.15 -1.07 0.00 0.00 179.97 181.06 2rdx h THR 278 N 0.60 1.27 -0.06 2.04 2.02 -1.32 -1.72 112.91 115.73 2rdx h THR 278 Ca 0.02 -1.14 0.01 0.00 0.77 0.00 0.00 66.41 66.07 2rdx h THR 278 Cb 1.09 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 2rdx h THR 278 CO 0.11 0.40 -0.02 -0.09 0.37 0.00 0.00 175.52 176.29 2rdx h ARG 279 N 0.81 -0.02 -0.26 6.66 1.12 -0.72 -2.20 114.38 119.76 2rdx h ARG 279 Ca 0.14 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.92 2rdx h ARG 279 Cb 0.57 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.52 2rdx h ARG 279 CO 0.03 -0.01 -0.23 -0.44 -3.11 0.00 0.00 179.97 176.21 2rdx h ASP 280 N -0.02 0.49 -0.34 -3.80 3.32 -0.98 -1.05 116.42 114.05 2rdx h ASP 280 Ca 0.03 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2rdx h ASP 280 Cb 0.07 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2rdx h ASP 280 CO -0.07 0.73 0.23 0.15 -1.72 0.00 0.00 179.24 178.55 2rdx h PHE 281 N 0.44 0.43 -0.27 4.55 3.57 -1.20 -1.67 116.94 122.78 2rdx h PHE 281 Ca 0.07 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.40 2rdx h PHE 281 Cb 0.64 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 2rdx h PHE 281 CO 0.02 0.27 -0.55 -0.07 -2.23 0.00 0.00 178.31 175.75 2rdx h LEU 282 N 0.46 0.90 -0.58 0.59 3.38 -1.01 -2.63 115.31 116.43 2rdx h LEU 282 Ca 0.12 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 2rdx h LEU 282 Cb -0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 2rdx h LEU 282 CO -0.03 1.27 0.31 0.40 0.09 0.00 0.00 178.44 180.48 2rdx h ILE 283 N 0.62 1.19 0.00 1.22 1.08 -1.21 0.83 117.51 121.24 2rdx h ILE 283 Ca 0.01 -0.51 -0.03 0.00 -0.39 0.00 0.00 64.86 63.95 2rdx h ILE 283 Cb 1.14 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 35.36 2rdx h ILE 283 CO 0.12 0.21 -0.14 0.44 -0.69 0.00 0.00 178.15 178.09 2rdx h ASP 284 N 0.78 0.00 -0.55 1.72 3.32 -1.23 -0.90 116.42 119.55 2rdx h ASP 284 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2rdx h ASP 284 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2rdx h ASP 284 CO -0.03 0.14 0.00 0.59 -1.72 0.00 0.00 179.24 178.22 2rdx n ASN 285 N -3.55 3.54 -2.81 6.45 3.02 -0.94 -4.96 115.26 116.01 2rdx n ASN 285 Ca -0.01 -2.19 -0.20 0.00 -0.03 0.00 0.00 54.58 52.15 2rdx n ASN 285 Cb 0.28 -0.46 0.04 0.00 -0.61 0.00 0.00 39.78 39.04 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 1.03 -5.03 -3.49 3.52 1.74 -0.34 -5.01 116.66 109.09 2rdx n ARG 286 Ca 0.20 0.78 -0.38 0.00 -0.77 0.00 0.00 57.85 57.69 2rdx n ARG 286 Cb 0.62 -5.44 -0.09 0.00 -1.02 0.00 0.00 32.46 26.53 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 -5.71 4.08 0.37 5.56 1.75 0.20 -5.01 119.30 120.53 2rdx s MET 287 Ca 0.33 -0.04 -0.28 0.00 -1.25 0.00 0.00 55.69 54.45 2rdx s MET 287 Cb -0.15 -3.58 -0.11 0.00 2.84 0.00 0.00 34.83 33.83 2rdx s MET 287 CO 0.41 -0.09 1.48 -2.14 -0.65 0.00 0.00 175.02 174.03 2rdx s PRO 288 N 1.48 4.13 0.08 4.11 0.02 -1.26 -4.29 135.00 139.28 2rdx s PRO 288 Ca 0.13 2.54 0.05 0.00 0.02 0.00 0.00 61.00 63.74 2rdx s PRO 288 Cb -0.15 -2.98 -0.03 0.00 0.02 0.00 0.00 34.50 31.36 2rdx s PRO 288 CO 0.08 -0.51 -0.14 0.14 -0.33 0.00 0.00 177.00 176.24 2rdx s VAL 289 N -1.04 1.12 -0.09 3.83 -7.23 -0.09 -1.07 120.40 115.83 2rdx s VAL 289 Ca 0.53 -1.42 -0.01 0.00 -1.81 0.00 0.00 61.98 59.27 2rdx s VAL 289 Cb -0.46 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.27 2rdx s VAL 289 CO 0.61 -0.30 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.37 2rdx s VAL 290 N -1.58 3.99 -0.34 1.32 1.01 -0.66 -0.85 120.40 123.30 2rdx s VAL 290 Ca 0.01 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 2rdx s VAL 290 Cb -0.08 -2.67 0.05 0.00 0.00 0.00 0.00 36.38 33.68 2rdx s VAL 290 CO 0.02 0.59 0.09 0.00 0.00 0.00 0.00 175.10 175.80 2rdx s ALA 291 N -0.67 3.00 0.00 5.51 0.00 -1.06 -0.55 121.76 127.99 2rdx s ALA 291 Ca 0.10 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.26 2rdx s ALA 291 Cb -0.12 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.80 2rdx s ALA 291 CO 0.02 -1.36 0.00 0.39 0.00 0.00 0.00 175.76 174.81 2rdx n GLU 292 N 4.76 0.00 -3.99 0.00 1.02 -0.26 -4.26 120.64 117.91 2rdx n GLU 292 Ca -0.12 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.92 2rdx n GLU 292 Cb 0.44 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.82 2rdx n GLU 292 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2rdx s ASP 293 N -0.21 0.15 0.09 1.62 2.15 -1.26 -1.51 116.67 117.70 2rdx s ASP 293 Ca 0.00 -1.07 -0.35 0.00 0.43 0.00 0.00 52.55 51.56 2rdx s ASP 293 Cb 0.00 0.64 -0.16 0.00 -0.30 0.00 0.00 42.92 43.10 2rdx s ASP 293 CO 0.00 -1.25 1.58 0.77 -0.17 0.00 0.00 175.17 176.10 2rdx h SER 294 N 2.18 -1.30 -5.42 -0.34 4.64 -1.91 -3.47 113.55 107.94 2rdx h SER 294 Ca -0.27 0.11 0.20 0.00 -0.47 0.00 0.00 61.79 61.35 2rdx h SER 294 Cb 1.25 0.43 -0.07 0.00 -0.31 0.00 0.00 62.40 63.70 2rdx h SER 294 CO 0.36 -0.62 0.56 0.86 -0.87 0.00 0.00 176.83 177.12 2rdx s TRP 295 N -5.90 -0.06 -4.08 4.77 -0.11 -1.13 -4.49 118.94 107.94 2rdx s TRP 295 Ca -0.18 -0.24 0.00 0.00 1.22 0.00 0.00 56.10 56.90 2rdx s TRP 295 Cb 0.05 0.64 0.00 0.00 -1.50 0.00 0.00 33.47 32.66 2rdx s TRP 295 CO 0.61 -0.78 0.00 0.41 -4.62 0.00 0.00 176.95 172.58 2rdx n GLY 296 N -0.54 1.00 0.00 5.86 0.00 -1.26 -4.24 105.19 106.00 2rdx n GLY 296 Ca -0.05 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.95 2rdx n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rdx n GLY 297 N -1.74 1.34 0.16 -0.02 0.00 -1.26 -2.66 105.19 101.01 2rdx n GLY 297 Ca 0.00 -1.65 -0.06 0.00 0.00 0.00 0.00 46.02 44.31 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 0.23 -0.14 1.61 3.07 -1.90 -2.23 114.58 115.22 2rdx h GLU 298 Ca 0.00 -0.18 -0.03 0.00 -0.50 0.00 0.00 59.36 58.65 2rdx h GLU 298 Cb 0.00 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2rdx h GLU 298 CO 0.00 0.83 -0.04 0.82 -1.40 0.00 0.00 179.01 179.22 2rdx h ILE 299 N 0.16 1.29 -0.72 3.13 2.04 -1.89 -0.66 117.51 120.86 2rdx h ILE 299 Ca -0.02 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 2rdx h ILE 299 Cb 1.23 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.95 2rdx h ILE 299 CO 0.11 0.29 0.31 0.00 0.00 0.00 0.00 178.15 178.86 2rdx h ALA 300 N 0.70 0.93 -0.08 1.87 0.00 -1.80 -3.06 119.26 117.81 2rdx h ALA 300 Ca 0.03 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2rdx h ALA 300 Cb 0.46 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2rdx h ALA 300 CO 0.01 0.53 -0.25 0.77 0.00 0.00 0.00 179.25 180.31 2rdx h SER 301 N 1.02 0.13 -0.59 0.00 0.02 -1.28 -2.27 113.55 110.58 2rdx h SER 301 Ca 0.24 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 2rdx h SER 301 Cb 0.17 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2rdx h SER 301 CO -0.03 0.39 0.05 0.00 -1.14 0.00 0.00 176.83 176.11 2rdx h ALA 302 N 1.62 0.79 -0.55 3.77 0.00 -1.02 0.42 119.26 124.29 2rdx h ALA 302 Ca 0.02 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 2rdx h ALA 302 Cb 0.52 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2rdx h ALA 302 CO 0.04 0.59 0.09 0.00 0.00 0.00 0.00 179.25 179.97 2rdx h ALA 303 N 1.00 0.73 -0.30 0.00 0.00 -1.45 -2.72 119.26 116.53 2rdx h ALA 303 Ca 0.17 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2rdx h ALA 303 Cb 0.49 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2rdx h ALA 303 CO 0.02 0.48 0.16 0.28 0.00 0.00 0.00 179.25 180.19 2rdx h VAL 304 N 0.81 1.00 -0.69 0.00 2.07 -1.13 -2.07 116.25 116.24 2rdx h VAL 304 Ca 0.17 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 2rdx h VAL 304 Cb 0.41 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2rdx h VAL 304 CO 0.01 0.06 0.16 0.00 0.02 0.00 0.00 177.57 177.82 2rdx h ALA 305 N 1.15 0.91 -0.05 1.67 0.00 -0.83 0.20 119.26 122.30 2rdx h ALA 305 Ca 0.12 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 2rdx h ALA 305 Cb 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2rdx h ALA 305 CO -0.08 0.64 -0.73 0.45 0.00 0.00 0.00 179.25 179.53 2rdx h HIS 306 N 1.04 0.40 -0.29 0.00 3.86 -1.51 0.12 115.15 118.77 2rdx h HIS 306 Ca 0.22 -0.18 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 2rdx h HIS 306 Cb 0.38 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 2rdx h HIS 306 CO 0.03 0.92 0.08 0.35 0.86 0.00 0.00 177.93 180.17 2rdx h PHE 307 N 0.20 0.49 -0.53 2.45 3.57 -1.09 -2.76 116.94 119.26 2rdx h PHE 307 Ca -0.03 -0.06 -0.11 0.00 3.53 0.00 0.00 57.97 61.31 2rdx h PHE 307 Cb 1.30 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 2rdx h PHE 307 CO 0.03 0.52 -0.11 0.00 -2.23 0.00 0.00 178.31 176.53 2rdx h ALA 308 N 0.91 0.80 0.00 2.41 0.00 -0.52 -3.17 119.26 119.68 2rdx h ALA 308 Ca 0.09 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2rdx h ALA 308 Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2rdx h ALA 308 CO 0.00 0.66 -0.23 0.00 0.00 0.00 0.00 179.25 179.69 2rdx h ALA 309 N 0.98 1.39 -0.65 0.00 0.00 -0.72 -2.27 119.26 117.99 2rdx h ALA 309 Ca 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2rdx h ALA 309 Cb 0.66 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2rdx h ALA 309 CO 0.05 0.28 0.00 -1.13 0.00 0.00 0.00 179.25 178.45 2rdx n SER 310 N -3.93 3.71 -4.72 0.00 3.41 -1.05 -0.40 113.62 110.64 2rdx n SER 310 Ca -0.02 -2.08 -0.37 0.00 -0.26 0.00 0.00 58.87 56.14 2rdx n SER 310 Cb 0.31 -0.47 -0.07 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.25 5.25 0.11 6.66 2.01 -0.85 -4.74 115.64 122.83 2rdx s THR 311 Ca 0.45 0.72 -0.36 0.00 0.31 0.00 0.00 61.69 62.81 2rdx s THR 311 Cb 0.24 -3.71 -0.16 0.00 0.01 0.00 0.00 72.50 68.89 2rdx s THR 311 CO 0.29 0.35 1.43 -2.65 -0.69 0.00 0.00 174.62 173.34 2rdx n PRO 312 N 3.73 1.52 -0.32 4.92 -0.02 -1.26 -3.49 135.00 140.07 2rdx n PRO 312 Ca -0.10 0.55 0.12 0.00 -2.02 0.00 0.00 63.50 62.05 2rdx n PRO 312 Cb 0.52 -2.23 0.34 0.00 -0.02 0.00 0.00 33.50 32.11 2rdx n PRO 312 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2rdx h GLU 313 N 5.04 0.73 0.00 -0.52 4.81 -1.74 -2.28 114.58 120.61 2rdx h GLU 313 Ca -0.47 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 2rdx h GLU 313 Cb 1.31 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 2rdx h GLU 313 CO 0.82 0.48 -0.06 1.49 -0.73 0.00 0.00 179.01 181.01 2rdx h GLU 314 N 0.75 0.00 -0.01 1.92 4.81 -1.89 -3.05 114.58 117.12 2rdx h GLU 314 Ca 0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 2rdx h GLU 314 Cb 0.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2rdx h GLU 314 CO -0.29 0.06 -0.17 1.19 -0.73 0.00 0.00 179.01 179.08 2rdx n PHE 315 N -4.28 0.00 -3.02 0.92 3.72 -0.91 -4.96 117.46 108.94 2rdx n PHE 315 Ca -0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.95 2rdx n PHE 315 Cb 0.14 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.63 2rdx n PHE 315 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2rdx s LEU 316 N -1.46 4.15 -0.07 4.37 2.96 -0.92 -0.92 118.68 126.79 2rdx s LEU 316 Ca 0.08 0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 54.29 2rdx s LEU 316 Cb 0.07 -2.95 -0.06 0.00 0.50 0.00 0.00 46.19 43.75 2rdx s LEU 316 CO 0.21 -0.63 0.36 0.40 -1.32 0.00 0.00 176.35 175.38 2rdx h ILE 317 N 5.66 0.21 -3.02 6.68 1.08 -1.32 -3.46 117.51 123.34 2rdx h ILE 317 Ca -0.25 -0.96 -0.01 0.00 -0.39 0.00 0.00 64.86 63.25 2rdx h ILE 317 Cb 1.10 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.22 2rdx h ILE 317 CO 0.87 0.06 0.26 0.54 -0.69 0.00 0.00 178.15 179.19 2rdx s ASN 318 N -5.37 -0.02 0.17 1.72 2.20 -1.26 -4.59 114.94 107.78 2rdx s ASN 318 Ca -0.05 -1.06 0.03 0.00 -0.94 0.00 0.00 52.86 50.84 2rdx s ASN 318 Cb 0.00 0.83 -0.01 0.00 -2.00 0.00 0.00 41.25 40.07 2rdx s ASN 318 CO 0.18 -1.62 0.15 -0.24 -2.94 0.00 0.00 177.10 172.63 2rdx n SER 319 N -1.24 -0.39 -3.88 3.54 2.88 0.16 -2.56 113.62 112.12 2rdx n SER 319 Ca -0.07 -2.08 -0.11 0.00 -1.33 0.00 0.00 58.87 55.28 2rdx n SER 319 Cb 0.60 0.89 -0.10 0.00 -0.75 0.00 0.00 64.21 64.84 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 -2.67 0.08 -1.17 2.46 -1.32 -1.26 -3.82 115.64 107.93 2rdx s THR 320 Ca 0.19 -0.65 -0.12 0.00 -1.21 0.00 0.00 61.69 59.90 2rdx s THR 320 Cb 0.01 -0.38 0.21 0.00 -1.51 0.00 0.00 72.50 70.82 2rdx s THR 320 CO 0.14 -0.36 1.32 1.51 -2.21 0.00 0.00 174.62 175.02 2rdx s ASP 321 N -1.25 7.14 0.36 8.08 -4.77 -1.26 -4.87 116.67 120.10 2rdx s ASP 321 Ca -0.13 -3.17 0.05 0.00 -3.30 0.00 0.00 52.55 45.99 2rdx s ASP 321 Cb -0.07 -2.34 0.67 0.00 -1.09 0.00 0.00 42.92 40.09 2rdx s ASP 321 CO 0.01 -0.60 1.94 -0.07 0.70 0.00 0.00 175.17 177.15 2rdx h LEU 322 N 8.73 0.53 -1.92 2.11 3.38 -1.89 -2.31 115.31 123.94 2rdx h LEU 322 Ca 0.27 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2rdx h LEU 322 Cb 0.88 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2rdx h LEU 322 CO 1.16 0.50 -0.11 0.00 0.09 0.00 0.00 178.44 180.09 2rdx h MET 323 N 0.58 0.00 -0.00 1.13 -0.00 -1.64 -2.35 114.93 112.65 2rdx h MET 323 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.84 2rdx h MET 323 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.76 2rdx h MET 323 CO -0.01 0.11 -0.01 0.09 -0.00 0.00 0.00 176.91 177.09 2rdx n ASN 324 N -4.03 0.06 -0.14 -0.10 3.02 -0.87 -3.32 115.26 109.89 2rdx n ASN 324 Ca -0.02 -0.64 0.13 0.00 -0.03 0.00 0.00 54.58 54.02 2rdx n ASN 324 Cb 0.20 -0.12 0.41 0.00 -0.61 0.00 0.00 39.78 39.66 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 -1.09 0.00 -4.31 3.10 4.02 -0.88 -4.88 117.16 113.12 2rdx n TYR 325 Ca 0.19 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.84 2rdx n TYR 325 Cb 0.18 -0.19 -0.08 0.00 -0.02 0.00 0.00 39.34 39.23 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 -2.65 4.26 0.00 7.72 0.01 -1.21 -1.62 114.94 121.46 2rdx s ASN 326 Ca 0.21 -0.90 0.23 0.00 -0.71 0.00 0.00 52.86 51.69 2rdx s ASN 326 Cb 0.19 -0.60 0.08 0.00 0.41 0.00 0.00 41.25 41.33 2rdx s ASN 326 CO 0.56 -0.18 1.16 0.35 -1.51 0.00 0.00 177.10 177.47 2rdx n THR 327 N -0.94 0.00 -4.43 1.60 -2.24 0.02 -4.66 114.28 103.63 2rdx n THR 327 Ca -0.05 -0.33 -0.21 0.00 -2.27 0.00 0.00 64.05 61.20 2rdx n THR 327 Cb 0.61 1.30 -0.11 0.00 -2.10 0.00 0.00 70.33 70.04 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 -2.34 1.61 0.15 -0.78 0.52 -1.26 -4.98 118.95 111.86 2rdx s ARG 328 Ca 0.22 -1.88 0.10 0.00 -0.52 0.00 0.00 55.73 53.65 2rdx s ARG 328 Cb 0.19 -0.82 -0.04 0.00 0.52 0.00 0.00 34.95 34.80 2rdx s ARG 328 CO 0.49 -0.18 -0.21 -1.12 0.02 0.00 0.00 175.30 174.30 2rdx s SER 329 N -3.46 3.67 -0.08 0.23 0.01 -1.26 -4.94 113.70 107.87 2rdx s SER 329 Ca 0.36 -0.69 0.15 0.00 1.31 0.00 0.00 55.95 57.08 2rdx s SER 329 Cb 0.08 -0.41 -0.23 0.00 0.21 0.00 0.00 66.02 65.68 2rdx s SER 329 CO 0.15 0.16 0.22 0.35 0.41 0.00 0.00 173.24 174.52 2rdx n THR 330 N 0.61 0.50 -4.01 1.44 -2.24 -1.26 -4.63 114.28 104.69 2rdx n THR 330 Ca -0.15 -0.51 -0.08 0.00 -2.27 0.00 0.00 64.05 61.04 2rdx n THR 330 Cb 0.54 -0.21 -0.09 0.00 -2.10 0.00 0.00 70.33 68.46 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 -4.38 0.33 -0.25 3.38 0.00 -1.26 -1.57 107.32 103.57 2rdx s GLY 331 Ca -0.07 -0.93 -0.09 0.00 0.00 0.00 0.00 44.72 43.63 2rdx s GLY 331 CO 0.67 -1.06 0.13 1.08 0.00 0.00 0.00 173.10 173.92 2rdx s LEU 332 N -2.66 3.88 0.00 0.66 1.02 0.18 -4.62 118.68 117.15 2rdx s LEU 332 Ca 0.03 -0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.17 2rdx s LEU 332 Cb 0.04 -2.05 0.00 0.00 0.02 0.00 0.00 46.19 44.21 2rdx s LEU 332 CO -0.09 0.02 0.00 0.61 0.02 0.00 0.00 176.35 176.92 2rdx n GLY 333 N 4.57 0.97 5.84 -3.19 0.00 -1.26 -1.60 105.19 110.51 2rdx n GLY 333 Ca -0.15 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.95 3.94 -0.02 0.00 -0.68 -4.96 105.19 101.52 2rdx n GLY 334 Ca 0.00 -1.51 -0.27 0.00 0.00 0.00 0.00 46.02 44.23 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 1.54 0.25 1.61 0.04 -1.26 -4.73 135.00 132.45 2rdx s PRO 335 Ca 0.00 -0.44 0.05 0.00 0.04 0.00 0.00 61.00 60.66 2rdx s PRO 335 Cb 0.00 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2rdx s PRO 335 CO 0.00 -1.72 -0.05 0.95 0.04 0.00 0.00 177.00 176.22 2rdx s THR 336 N -3.48 1.41 -0.13 1.26 -4.23 -0.72 -5.00 115.64 104.74 2rdx s THR 336 Ca 0.66 -2.09 0.02 0.00 -1.18 0.00 0.00 61.69 59.10 2rdx s THR 336 Cb -0.07 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.43 2rdx s THR 336 CO 0.48 -0.36 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.32 2rdx s VAL 337 N -3.17 1.84 -0.05 2.29 1.01 -1.26 -0.54 120.40 120.52 2rdx s VAL 337 Ca 0.28 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 2rdx s VAL 337 Cb 0.04 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.80 2rdx s VAL 337 CO 0.10 0.51 0.02 -2.28 0.00 0.00 0.00 175.10 173.44 2rdx s HIS 338 N 0.96 0.43 -1.43 5.22 5.04 -0.07 -4.88 115.29 120.55 2rdx s HIS 338 Ca -0.05 -0.01 -0.01 0.00 -1.54 0.00 0.00 55.06 53.44 2rdx s HIS 338 Cb -0.15 -0.62 0.00 0.00 0.04 0.00 0.00 32.58 31.85 2rdx s HIS 338 CO -0.03 -0.24 0.32 1.04 -2.34 0.00 0.00 174.74 173.49 2rdx n GLN 339 N 4.91 -2.59 -1.08 2.88 6.02 -1.26 -1.95 117.38 124.31 2rdx n GLN 339 Ca -0.11 0.32 -0.03 0.00 -0.01 0.00 0.00 57.00 57.17 2rdx n GLN 339 Cb 0.50 -4.24 -0.01 0.00 1.02 0.00 0.00 30.24 27.51 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 -2.14 0.59 3.10 1.08 0.00 -1.17 -4.56 105.19 102.11 2rdx n GLY 340 Ca -0.31 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.90 0.82 -0.26 1.61 0.52 -0.82 -2.40 118.95 116.53 2rdx s ARG 341 Ca 0.00 -0.65 -0.13 0.00 -0.52 0.00 0.00 55.73 54.44 2rdx s ARG 341 Cb 0.00 -0.79 -0.04 0.00 0.52 0.00 0.00 34.95 34.63 2rdx s ARG 341 CO 0.00 0.20 0.26 -1.17 0.02 0.00 0.00 175.30 174.61 2rdx s LEU 342 N -0.96 4.06 -0.16 2.53 0.20 0.09 -0.89 118.68 123.55 2rdx s LEU 342 Ca 0.00 0.16 -0.01 0.00 0.69 0.00 0.00 54.13 54.97 2rdx s LEU 342 Cb -0.07 -2.25 -0.01 0.00 -0.43 0.00 0.00 46.19 43.43 2rdx s LEU 342 CO 0.01 -0.07 -0.10 -0.31 -0.29 0.00 0.00 176.35 175.59 2rdx s TYR 343 N 1.67 2.87 0.82 5.38 2.02 0.30 -1.02 117.35 129.38 2rdx s TYR 343 Ca 0.11 -0.73 -0.11 0.00 -0.37 0.00 0.00 57.07 55.96 2rdx s TYR 343 Cb -0.15 -1.93 0.08 0.00 -0.40 0.00 0.00 41.96 39.56 2rdx s TYR 343 CO 0.09 -0.31 1.09 0.00 -1.57 0.00 0.00 175.55 174.85 2rdx s ALA 344 N 0.69 2.02 0.66 3.71 0.00 -1.26 -1.76 121.76 125.82 2rdx s ALA 344 Ca -0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.78 2rdx s ALA 344 Cb -0.15 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 2rdx s ALA 344 CO 0.02 -1.93 1.05 -1.12 0.00 0.00 0.00 175.76 173.78 2rdx s SER 345 N -3.59 5.74 0.00 0.00 0.01 -1.26 -4.83 113.70 109.77 2rdx s SER 345 Ca 0.62 1.56 0.06 0.00 1.31 0.00 0.00 55.95 59.50 2rdx s SER 345 Cb -0.16 -2.49 0.08 0.00 0.21 0.00 0.00 66.02 63.66 2rdx s SER 345 CO 0.56 -1.20 0.83 0.47 0.41 0.00 0.00 173.24 174.31 2rdx n ASP 346 N -2.86 1.81 -4.87 2.44 8.00 -1.26 -4.87 116.55 114.93 2rdx n ASP 346 Ca 0.07 -1.48 -0.31 0.00 0.71 0.00 0.00 54.79 53.79 2rdx n ASP 346 Cb 0.54 -0.04 0.01 0.00 -0.02 0.00 0.00 41.12 41.60 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 -0.66 4.72 0.66 -3.53 -4.23 -1.26 -4.46 115.64 106.88 2rdx s THR 347 Ca 0.09 0.83 -0.17 0.00 -1.18 0.00 0.00 61.69 61.26 2rdx s THR 347 Cb 0.06 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 70.04 2rdx s THR 347 CO 0.08 -1.08 1.20 -2.84 -0.54 0.00 0.00 174.62 171.44 2rdx s PRO 348 N -5.04 2.58 2.25 3.99 0.02 -1.26 -3.77 135.00 133.77 2rdx s PRO 348 Ca 0.54 1.75 0.00 0.00 0.02 0.00 0.00 61.00 63.32 2rdx s PRO 348 Cb -0.11 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.52 2rdx s PRO 348 CO 0.51 -1.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.10 2rdx n GLY 349 N 0.34 -1.23 0.23 0.52 0.00 -0.64 -4.04 105.19 100.38 2rdx n GLY 349 Ca 0.13 -1.26 0.14 0.00 0.00 0.00 0.00 46.02 45.03 2rdx n GLY 349 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2rdx h LEU 350 N 0.00 0.00 0.00 0.99 3.38 -1.85 -2.62 115.31 115.21 2rdx h LEU 350 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2rdx h LEU 350 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2rdx h LEU 350 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2rdx n GLY 351 N 0.59 0.59 3.11 0.83 0.00 -1.26 -4.78 105.19 104.27 2rdx n GLY 351 Ca 0.02 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 2rdx n GLY 351 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rdx s VAL 352 N -2.00 0.02 0.24 1.61 0.11 -1.26 -1.69 120.40 117.42 2rdx s VAL 352 Ca 0.00 -0.13 0.11 0.00 -2.93 0.00 0.00 61.98 59.03 2rdx s VAL 352 Cb 0.00 -0.34 -0.05 0.00 -1.53 0.00 0.00 36.38 34.46 2rdx s VAL 352 CO 0.00 -0.07 -0.20 0.42 -3.33 0.00 0.00 175.10 171.92 2rdx s THR 353 N -0.19 2.28 0.20 5.04 -4.23 -0.63 -4.85 115.64 113.26 2rdx s THR 353 Ca -0.03 -2.26 -0.30 0.00 -1.18 0.00 0.00 61.69 57.92 2rdx s THR 353 Cb -0.03 -2.18 -0.09 0.00 1.34 0.00 0.00 72.50 71.54 2rdx s THR 353 CO 0.01 -0.36 1.38 -2.84 -0.54 0.00 0.00 174.62 172.27 2rdx s PRO 354 N -3.29 4.33 -1.10 3.99 0.02 -1.26 0.51 135.00 138.20 2rdx s PRO 354 Ca 0.26 2.16 -0.22 0.00 0.02 0.00 0.00 61.00 63.22 2rdx s PRO 354 Cb -0.05 -3.17 0.03 0.00 0.02 0.00 0.00 34.50 31.33 2rdx s PRO 354 CO 0.12 -0.36 1.64 0.34 -0.33 0.00 0.00 177.00 178.40 2rdx s ASP 355 N 0.54 6.30 0.38 2.53 -1.08 -0.61 -4.59 116.67 120.13 2rdx s ASP 355 Ca 0.60 -1.65 0.10 0.00 -0.52 0.00 0.00 52.55 51.08 2rdx s ASP 355 Cb -0.39 -2.57 0.74 0.00 -1.46 0.00 0.00 42.92 39.24 2rdx s ASP 355 CO 0.38 -1.70 1.88 -0.26 0.52 0.00 0.00 175.17 175.99 2rdx h PHE 356 N 9.35 0.21 -0.73 -5.34 0.04 -1.92 -1.50 116.94 117.04 2rdx h PHE 356 Ca 0.26 -0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.94 2rdx h PHE 356 Cb 0.96 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 39.03 2rdx h PHE 356 CO 1.31 0.39 0.24 -0.97 -0.60 0.00 0.00 178.31 178.68 2rdx h ASN 357 N 0.18 1.05 0.24 2.17 -0.73 -1.92 -2.35 115.58 114.22 2rdx h ASN 357 Ca 0.03 -0.19 -0.28 0.00 1.87 0.00 0.00 56.30 57.74 2rdx h ASN 357 Cb 0.47 -0.28 0.02 0.00 0.27 0.00 0.00 38.32 38.80 2rdx h ASN 357 CO 0.03 0.97 -1.15 0.28 -0.37 0.00 0.00 177.43 177.19 2rdx h SER 358 N 1.09 0.74 -0.34 1.15 0.02 -1.78 -3.36 113.55 111.06 2rdx h SER 358 Ca 0.24 -0.66 -0.17 0.00 -0.84 0.00 0.00 61.79 60.36 2rdx h SER 358 Cb 0.29 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 2rdx h SER 358 CO -0.01 1.48 -0.43 -0.07 -1.14 0.00 0.00 176.83 176.66 2rdx h LEU 359 N 0.25 0.98 0.00 5.07 3.38 -1.24 -3.48 115.31 120.28 2rdx h LEU 359 Ca -0.15 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.35 2rdx h LEU 359 Cb 1.82 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.29 2rdx h LEU 359 CO 0.21 1.26 0.00 0.61 0.09 0.00 0.00 178.44 180.62 2rdx n GLY 360 N 0.18 -1.40 3.77 0.83 0.00 -0.89 -4.51 105.19 103.17 2rdx n GLY 360 Ca -0.03 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.52 3.34 0.30 4.61 0.00 -1.26 -4.94 121.76 122.29 2rdx s ALA 361 Ca 0.00 1.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.87 2rdx s ALA 361 Cb 0.00 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 19.56 2rdx s ALA 361 CO 0.00 -0.69 1.23 -1.25 0.00 0.00 0.00 175.76 175.04 2rdx s PRO 362 N -2.05 4.47 0.38 0.00 0.04 -1.26 -4.72 135.00 131.85 2rdx s PRO 362 Ca 0.53 2.05 0.26 0.00 0.04 0.00 0.00 61.00 63.88 2rdx s PRO 362 Cb -0.37 -3.12 0.73 0.00 0.04 0.00 0.00 34.50 31.77 2rdx s PRO 362 CO 0.49 -0.03 1.74 -0.39 0.04 0.00 0.00 177.00 178.84 2rdx h VAL 363 N 3.09 0.00 -2.46 -0.36 -1.51 -1.17 -3.45 116.25 110.39 2rdx h VAL 363 Ca -0.48 -0.69 -0.09 0.00 -1.23 0.00 0.00 66.70 64.22 2rdx h VAL 363 Cb 1.22 1.66 -0.20 0.00 -2.13 0.00 0.00 31.29 31.84 2rdx h VAL 363 CO 0.67 0.00 -0.03 0.00 -1.23 0.00 0.00 177.57 176.97 2rdx s ALA 364 N -3.28 -1.32 -0.19 5.19 0.00 -1.20 -5.01 121.76 115.94 2rdx s ALA 364 Ca 0.07 1.01 -0.04 0.00 0.00 0.00 0.00 51.96 52.99 2rdx s ALA 364 Cb 0.08 -0.17 0.10 0.00 0.00 0.00 0.00 23.12 23.13 2rdx s ALA 364 CO 0.60 -0.31 0.32 0.34 0.00 0.00 0.00 175.76 176.72 2rdx s ASP 365 N -0.91 0.36 -0.14 0.00 3.68 -1.26 -1.31 116.67 117.09 2rdx s ASP 365 Ca -0.10 0.43 -0.01 0.00 2.13 0.00 0.00 52.55 55.00 2rdx s ASP 365 Cb -0.03 0.91 -0.02 0.00 -1.45 0.00 0.00 42.92 42.34 2rdx s ASP 365 CO 0.06 -0.27 -0.11 0.26 0.13 0.00 0.00 175.17 175.24 2rdx s TRP 366 N 2.48 2.87 -0.02 -5.34 0.51 0.01 -5.00 118.94 114.45 2rdx s TRP 366 Ca 0.05 -0.56 0.04 0.00 -2.12 0.00 0.00 56.10 53.51 2rdx s TRP 366 Cb -0.14 -1.88 -0.01 0.00 -0.81 0.00 0.00 33.47 30.64 2rdx s TRP 366 CO -0.12 -0.17 -0.13 0.00 -0.51 0.00 0.00 176.95 176.02 2rdx s ALA 367 N 0.36 1.14 -2.00 0.98 0.00 -1.26 -0.65 121.76 120.33 2rdx s ALA 367 Ca -0.09 -0.56 0.23 0.00 0.00 0.00 0.00 51.96 51.53 2rdx s ALA 367 Cb -0.15 -0.32 1.34 0.00 0.00 0.00 0.00 23.12 23.99 2rdx s ALA 367 CO 0.05 0.26 1.72 -0.11 0.00 0.00 0.00 175.76 177.67