#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rdx s LEU 1 N 0.00 2.13 0.02 2.46 2.96 -1.26 -4.98 118.68 120.01 2rdx s LEU 1 Ca 0.00 -0.37 0.06 0.00 -0.22 0.00 0.00 54.13 53.60 2rdx s LEU 1 Cb 0.00 -0.47 -0.02 0.00 0.50 0.00 0.00 46.19 46.20 2rdx s LEU 1 CO 0.00 0.02 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.75 2rdx s ARG 2 N -0.89 1.21 -0.20 1.98 0.52 -1.26 -3.82 118.95 116.49 2rdx s ARG 2 Ca 0.00 -0.73 -0.29 0.00 -0.52 0.00 0.00 55.73 54.19 2rdx s ARG 2 Cb -0.07 -1.23 -0.01 0.00 0.52 0.00 0.00 34.95 34.16 2rdx s ARG 2 CO 0.01 0.32 1.32 0.42 0.02 0.00 0.00 175.30 177.39 2rdx s ILE 3 N -0.64 4.16 -0.13 1.52 1.01 0.68 -2.17 121.20 125.64 2rdx s ILE 3 Ca 0.05 1.37 0.20 0.00 0.00 0.00 0.00 60.65 62.27 2rdx s ILE 3 Cb -0.07 -3.99 -0.28 0.00 0.01 0.00 0.00 42.46 38.12 2rdx s ILE 3 CO 0.01 -0.24 0.24 0.35 0.00 0.00 0.00 174.94 175.30 2rdx n THR 4 N 5.71 0.84 -3.73 2.92 -2.24 -0.16 0.02 114.28 117.63 2rdx n THR 4 Ca 0.15 -0.72 -0.13 0.00 -2.27 0.00 0.00 64.05 61.08 2rdx n THR 4 Cb 0.45 -0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.30 2rdx n THR 4 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2rdx s ARG 5 N -2.90 0.51 -0.07 -0.78 3.52 -1.13 -1.05 118.95 117.05 2rdx s ARG 5 Ca -0.09 0.48 0.02 0.00 -0.13 0.00 0.00 55.73 56.00 2rdx s ARG 5 Cb 0.09 0.25 0.02 0.00 -1.56 0.00 0.00 34.95 33.75 2rdx s ARG 5 CO 0.86 -0.08 -0.10 0.42 -0.81 0.00 0.00 175.30 175.59 2rdx s ILE 6 N 0.01 1.02 0.01 4.11 1.01 0.24 -1.03 121.20 126.57 2rdx s ILE 6 Ca -0.02 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.30 2rdx s ILE 6 Cb -0.03 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 2rdx s ILE 6 CO 0.01 0.34 -0.18 -0.13 0.00 0.00 0.00 174.94 174.98 2rdx s ARG 7 N 0.91 1.37 -0.12 2.79 0.52 -0.27 -0.85 118.95 123.30 2rdx s ARG 7 Ca -0.10 -0.74 0.01 0.00 -0.52 0.00 0.00 55.73 54.38 2rdx s ARG 7 Cb -0.15 -1.38 -0.01 0.00 0.52 0.00 0.00 34.95 33.93 2rdx s ARG 7 CO 0.01 0.37 -0.15 -1.17 0.02 0.00 0.00 175.30 174.37 2rdx s LEU 8 N -0.71 2.58 0.09 2.53 2.96 -0.45 -0.76 118.68 124.92 2rdx s LEU 8 Ca 0.06 -0.37 0.10 0.00 -0.22 0.00 0.00 54.13 53.70 2rdx s LEU 8 Cb -0.08 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 2rdx s LEU 8 CO 0.00 0.17 -0.27 -0.31 -1.32 0.00 0.00 176.35 174.63 2rdx s TYR 9 N 0.32 2.32 -0.04 5.38 2.02 0.80 -1.13 117.35 127.02 2rdx s TYR 9 Ca -0.12 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.21 2rdx s TYR 9 Cb -0.16 -1.31 0.01 0.00 -0.40 0.00 0.00 41.96 40.09 2rdx s TYR 9 CO 0.06 0.25 -0.09 0.15 -1.57 0.00 0.00 175.55 174.35 2rdx s LYS 10 N -1.72 1.11 0.10 -0.62 1.02 -1.26 -0.62 119.74 117.75 2rdx s LYS 10 Ca 0.13 -0.32 -0.05 0.00 0.02 0.00 0.00 55.97 55.75 2rdx s LYS 10 Cb -0.10 -1.01 -0.02 0.00 -0.52 0.00 0.00 37.83 36.18 2rdx s LYS 10 CO 0.04 0.08 0.13 -0.08 -0.92 0.00 0.00 175.35 174.61 2rdx s THR 11 N 0.35 0.14 -0.12 2.17 -1.32 -1.08 -4.84 115.64 110.94 2rdx s THR 11 Ca -0.06 -1.50 -0.16 0.00 -1.21 0.00 0.00 61.69 58.76 2rdx s THR 11 Cb -0.11 -1.59 -0.05 0.00 -1.51 0.00 0.00 72.50 69.24 2rdx s THR 11 CO 0.01 -0.65 0.38 -1.81 -2.21 0.00 0.00 174.62 170.34 2rdx s ASP 12 N -2.93 6.59 -0.45 8.08 1.01 -1.26 -0.47 116.67 127.24 2rdx s ASP 12 Ca 0.11 0.70 0.03 0.00 0.71 0.00 0.00 52.55 54.09 2rdx s ASP 12 Cb 0.06 -2.23 0.12 0.00 1.01 0.00 0.00 42.92 41.88 2rdx s ASP 12 CO -0.07 0.10 0.19 -0.76 0.21 0.00 0.00 175.17 174.85 2rdx s LEU 13 N 0.28 4.65 0.67 1.23 1.43 0.22 -4.81 118.68 122.35 2rdx s LEU 13 Ca 0.21 -2.60 -0.15 0.00 -1.03 0.00 0.00 54.13 50.56 2rdx s LEU 13 Cb -0.14 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.41 2rdx s LEU 13 CO 0.08 -0.33 1.13 -2.84 0.23 0.00 0.00 176.35 174.63 2rdx s PRO 14 N 0.29 2.69 0.18 1.29 0.02 -1.26 -1.58 135.00 136.62 2rdx s PRO 14 Ca 0.14 1.49 -0.21 0.00 0.02 0.00 0.00 61.00 62.44 2rdx s PRO 14 Cb -0.23 -1.93 -0.08 0.00 0.02 0.00 0.00 34.50 32.29 2rdx s PRO 14 CO -0.04 -1.36 0.71 -0.47 -0.33 0.00 0.00 177.00 175.51 2rdx s TYR 15 N -2.22 3.75 0.15 6.54 5.04 -0.47 -2.00 117.35 128.14 2rdx s TYR 15 Ca 0.69 1.43 -0.16 0.00 -2.44 0.00 0.00 57.07 56.59 2rdx s TYR 15 Cb -0.23 -2.63 0.02 0.00 0.35 0.00 0.00 41.96 39.47 2rdx s TYR 15 CO 0.41 0.43 1.80 -0.39 -1.34 0.00 0.00 175.55 176.46 2rdx h VAL 16 N 3.04 1.13 0.00 3.14 -1.51 -1.67 -3.10 116.25 117.28 2rdx h VAL 16 Ca -0.48 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 2rdx h VAL 16 Cb 1.20 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 2rdx h VAL 16 CO 0.65 0.12 -0.40 0.47 -1.23 0.00 0.00 177.57 177.18 2rdx n ASP 17 N -4.77 0.54 0.00 4.19 8.00 -1.26 -5.00 116.55 118.26 2rdx n ASP 17 Ca 0.01 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.64 2rdx n ASP 17 Cb 0.04 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 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 1.41 2.32 3.34 0.44 0.00 -1.17 -5.02 105.19 106.51 2rdx n GLY 18 Ca 0.05 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.93 3.42 -0.70 1.61 0.15 -1.26 -4.39 113.70 110.60 2rdx s SER 19 Ca 0.00 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2rdx s SER 19 Cb 0.00 -0.86 0.17 0.00 -1.71 0.00 0.00 66.02 63.63 2rdx s SER 19 CO 0.00 0.27 0.51 -0.47 1.20 0.00 0.00 173.24 174.76 2rdx s TYR 20 N -0.31 3.53 -0.17 3.44 6.14 -1.06 -4.93 117.35 124.00 2rdx s TYR 20 Ca 0.01 -3.03 -0.29 0.00 0.64 0.00 0.00 57.07 54.41 2rdx s TYR 20 Cb -0.13 -3.04 -0.03 0.00 0.42 0.00 0.00 41.96 39.19 2rdx s TYR 20 CO 0.02 -0.73 1.46 0.20 0.64 0.00 0.00 175.55 177.14 2rdx s GLY 21 N -0.20 1.47 0.04 8.97 0.00 -1.26 -3.41 107.32 112.93 2rdx s GLY 21 Ca 0.22 0.53 0.03 0.00 0.00 0.00 0.00 44.72 45.49 2rdx s GLY 21 CO -0.08 2.78 -0.08 0.66 0.00 0.00 0.00 173.10 176.37 2rdx s TRP 22 N 4.19 0.73 0.00 1.90 1.48 -0.71 -3.25 118.94 123.27 2rdx s TRP 22 Ca 0.64 -0.49 0.00 0.00 -1.06 0.00 0.00 56.10 55.19 2rdx s TRP 22 Cb -0.25 -0.43 0.00 0.00 -1.16 0.00 0.00 33.47 31.63 2rdx s TRP 22 CO 0.23 -0.07 0.00 0.41 -4.06 0.00 0.00 176.95 173.47 2rdx n GLY 23 N 1.48 0.97 2.44 3.67 0.00 -1.25 -2.49 105.19 110.01 2rdx n GLY 23 Ca -0.22 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 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 6.46 6.32 0.00 4.61 0.00 -1.25 -2.43 120.51 134.22 2rdx n ALA 24 Ca 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 53.44 50.48 2rdx n ALA 24 Cb 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.39 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 0.74 1.08 3.84 0.00 0.00 -1.26 -4.94 105.19 104.66 2rdx n GLY 25 Ca 0.47 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.17 2rdx n GLY 25 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2rdx s ASN 26 N -1.93 6.68 -0.21 1.61 0.01 -1.04 -4.98 114.94 115.09 2rdx s ASN 26 Ca 0.00 1.51 -0.19 0.00 -0.71 0.00 0.00 52.86 53.47 2rdx s ASN 26 Cb 0.00 -2.48 0.05 0.00 0.41 0.00 0.00 41.25 39.24 2rdx s ASN 26 CO 0.00 -0.49 0.55 0.00 -1.51 0.00 0.00 177.10 175.66 2rdx s ALA 27 N -2.45 -1.36 -0.08 0.60 0.00 -1.26 -1.74 121.76 115.46 2rdx s ALA 27 Ca 0.58 1.56 0.04 0.00 0.00 0.00 0.00 51.96 54.14 2rdx s ALA 27 Cb -0.10 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 2rdx s ALA 27 CO 0.26 -0.26 -0.19 0.96 0.00 0.00 0.00 175.76 176.53 2rdx s ILE 28 N 0.30 2.55 -0.17 0.00 -4.36 -1.22 -4.95 121.20 113.36 2rdx s ILE 28 Ca -0.00 -0.88 0.09 0.00 -0.26 0.00 0.00 60.65 59.60 2rdx s ILE 28 Cb -0.04 -1.99 -0.16 0.00 1.25 0.00 0.00 42.46 41.51 2rdx s ILE 28 CO 0.01 0.56 -0.04 0.35 0.24 0.00 0.00 174.94 176.06 2rdx n THR 29 N 3.00 1.08 -3.79 8.37 -2.24 -1.26 -2.56 114.28 116.88 2rdx n THR 29 Ca -0.18 -0.56 -0.16 0.00 -2.27 0.00 0.00 64.05 60.88 2rdx n THR 29 Cb 0.52 -0.83 -0.16 0.00 -2.10 0.00 0.00 70.33 67.76 2rdx n THR 29 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2rdx s VAL 30 N -2.38 -0.01 -0.01 2.28 0.11 -1.26 -1.37 120.40 117.76 2rdx s VAL 30 Ca -0.15 0.22 -0.02 0.00 -2.93 0.00 0.00 61.98 59.10 2rdx s VAL 30 Cb 0.05 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.72 2rdx s VAL 30 CO 0.56 0.12 0.16 0.00 -3.33 0.00 0.00 175.10 172.60 2rdx s ALA 31 N 1.27 3.86 -0.34 1.54 0.00 -0.62 -4.93 121.76 122.55 2rdx s ALA 31 Ca -0.06 -0.79 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 2rdx s ALA 31 Cb -0.13 -1.81 0.01 0.00 0.00 0.00 0.00 23.12 21.19 2rdx s ALA 31 CO -0.03 0.73 0.19 0.50 0.00 0.00 0.00 175.76 177.15 2rdx s ARG 32 N -1.85 3.13 0.27 0.00 3.00 -1.26 -0.61 118.95 121.64 2rdx s ARG 32 Ca 0.26 -0.87 -0.17 0.00 -1.00 0.00 0.00 55.73 53.94 2rdx s ARG 32 Cb -0.12 -3.66 -0.09 0.00 0.00 0.00 0.00 34.95 31.08 2rdx s ARG 32 CO 0.17 -0.54 0.74 0.00 0.00 0.00 0.00 175.30 175.66 2rdx s ALA 33 N 1.60 3.36 -0.15 6.12 0.00 0.38 -4.42 121.76 128.65 2rdx s ALA 33 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2rdx s ALA 33 Cb -0.18 -2.80 0.03 0.00 0.00 0.00 0.00 23.12 20.17 2rdx s ALA 33 CO 0.07 0.33 -0.10 -1.12 0.00 0.00 0.00 175.76 174.93 2rdx s SER 34 N -1.96 2.73 -0.15 0.00 0.01 -0.60 -2.63 113.70 111.10 2rdx s SER 34 Ca 0.49 -0.56 -0.00 0.00 1.31 0.00 0.00 55.95 57.19 2rdx s SER 34 Cb -0.13 -1.05 -0.01 0.00 0.21 0.00 0.00 66.02 65.04 2rdx s SER 34 CO 0.19 -0.12 -0.14 -0.69 0.41 0.00 0.00 173.24 172.90 2rdx s VAL 35 N 1.56 2.86 -0.20 3.43 1.01 0.21 -1.81 120.40 127.46 2rdx s VAL 35 Ca 0.03 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 2rdx s VAL 35 Cb -0.14 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2rdx s VAL 35 CO -0.09 0.51 0.04 -0.69 0.00 0.00 0.00 175.10 174.87 2rdx s VAL 36 N 0.63 4.39 -0.20 2.92 1.01 -0.48 -0.14 120.40 128.53 2rdx s VAL 36 Ca -0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 2rdx s VAL 36 Cb -0.16 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.25 2rdx s VAL 36 CO 0.03 0.43 -0.14 -0.69 0.00 0.00 0.00 175.10 174.73 2rdx s VAL 37 N 0.75 2.49 -0.23 2.92 1.01 0.06 -1.44 120.40 125.96 2rdx s VAL 37 Ca 0.02 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 2rdx s VAL 37 Cb -0.14 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 2rdx s VAL 37 CO 0.02 0.46 0.00 -0.63 0.00 0.00 0.00 175.10 174.95 2rdx s ILE 38 N 1.34 3.73 0.07 2.22 -1.09 -0.41 -1.12 121.20 125.94 2rdx s ILE 38 Ca 0.04 -0.40 0.01 0.00 -2.23 0.00 0.00 60.65 58.07 2rdx s ILE 38 Cb -0.14 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.97 2rdx s ILE 38 CO -0.09 0.37 0.20 -1.81 -1.23 0.00 0.00 174.94 172.38 2rdx s ASP 39 N 1.53 6.27 0.33 3.58 1.01 -0.20 -0.92 116.67 128.28 2rdx s ASP 39 Ca 0.06 0.23 0.05 0.00 0.71 0.00 0.00 52.55 53.60 2rdx s ASP 39 Cb -0.15 -1.91 -0.07 0.00 1.01 0.00 0.00 42.92 41.81 2rdx s ASP 39 CO -0.01 0.16 0.02 0.42 0.21 0.00 0.00 175.17 175.97 2rdx s THR 40 N -1.52 1.46 -0.86 -1.27 -4.23 -1.02 -0.99 115.64 107.20 2rdx s THR 40 Ca 0.34 -2.03 0.21 0.00 -1.18 0.00 0.00 61.69 59.04 2rdx s THR 40 Cb -0.13 -2.75 0.20 0.00 1.34 0.00 0.00 72.50 71.16 2rdx s THR 40 CO 0.27 -0.07 1.67 -0.90 -0.54 0.00 0.00 174.62 175.05 2rdx n ASP 41 N -0.72 0.23 -1.02 3.99 5.68 -0.92 -1.78 116.55 122.02 2rdx n ASP 41 Ca -0.04 0.54 0.11 0.00 -0.50 0.00 0.00 54.79 54.91 2rdx n ASP 41 Cb 0.66 -0.60 0.26 0.00 -1.14 0.00 0.00 41.12 40.30 2rdx n ASP 41 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2rdx n ALA 42 N -1.59 2.44 -1.09 2.12 0.00 -1.26 -4.95 120.51 116.17 2rdx n ALA 42 Ca 0.04 -0.91 -0.03 0.00 0.00 0.00 0.00 53.44 52.54 2rdx n ALA 42 Cb 0.26 -0.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.75 2rdx n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rdx n GLY 43 N 1.41 0.63 3.66 0.00 0.00 -0.74 -5.03 105.19 105.14 2rdx n GLY 43 Ca 0.19 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 2rdx n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rdx s LEU 44 N -0.74 4.15 -0.14 0.99 1.43 -1.26 -4.89 118.68 118.22 2rdx s LEU 44 Ca 0.00 0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 53.94 2rdx s LEU 44 Cb 0.00 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 2rdx s LEU 44 CO 0.00 -0.27 -0.10 -1.58 0.23 0.00 0.00 176.35 174.62 2rdx s GLN 45 N 1.89 3.45 0.22 1.70 0.74 -1.26 -2.43 119.66 123.97 2rdx s GLN 45 Ca 0.29 -0.64 0.07 0.00 0.05 0.00 0.00 55.36 55.13 2rdx s GLN 45 Cb -0.16 -2.72 -0.04 0.00 1.10 0.00 0.00 33.01 31.19 2rdx s GLN 45 CO 0.11 0.20 0.13 0.20 -0.55 0.00 0.00 175.29 175.37 2rdx s GLY 46 N 0.41 1.56 0.05 2.59 0.00 -0.09 -4.78 107.32 107.06 2rdx s GLY 46 Ca -0.08 -1.40 -0.03 0.00 0.00 0.00 0.00 44.72 43.21 2rdx s GLY 46 CO 0.05 -1.43 0.03 0.00 0.00 0.00 0.00 173.10 171.75 2rdx s GLY 48 N -2.61 -0.31 -0.02 0.00 0.00 -0.52 -2.78 107.32 101.07 2rdx s GLY 48 Ca 0.02 0.29 -0.01 0.00 0.00 0.00 0.00 44.72 45.03 2rdx s GLY 48 CO -0.08 0.02 0.04 1.85 0.00 0.00 0.00 173.10 174.93 2rdx s GLU 49 N -2.80 -0.01 -0.12 2.90 2.12 -1.26 -1.38 118.70 118.16 2rdx s GLU 49 Ca -0.03 0.17 0.02 0.00 0.36 0.00 0.00 54.97 55.49 2rdx s GLU 49 Cb -0.00 -0.18 -0.01 0.00 0.26 0.00 0.00 34.13 34.21 2rdx s GLU 49 CO -0.05 -0.13 -0.19 0.12 -0.54 0.00 0.00 175.26 174.48 2rdx s PHE 50 N 0.82 2.68 -0.03 5.30 5.36 -0.75 -4.51 117.98 126.85 2rdx s PHE 50 Ca -0.07 -0.86 -0.01 0.00 -0.96 0.00 0.00 56.93 55.03 2rdx s PHE 50 Cb -0.10 -1.78 0.03 0.00 -0.34 0.00 0.00 43.02 40.84 2rdx s PHE 50 CO -0.03 -0.32 0.05 0.99 -1.46 0.00 0.00 175.22 174.45 2rdx s THR 51 N 0.35 -0.10 0.34 0.12 2.01 -1.26 -1.56 115.64 115.54 2rdx s THR 51 Ca -0.15 0.36 -0.19 0.00 0.31 0.00 0.00 61.69 62.02 2rdx s THR 51 Cb -0.17 -0.13 -0.10 0.00 0.01 0.00 0.00 72.50 72.11 2rdx s THR 51 CO 0.07 0.15 0.82 -2.16 -0.69 0.00 0.00 174.62 172.81 2rdx s PRO 52 N 1.82 4.17 -0.90 4.92 0.04 -1.26 -2.99 135.00 140.80 2rdx s PRO 52 Ca 0.00 0.90 -0.15 0.00 0.04 0.00 0.00 61.00 61.79 2rdx s PRO 52 Cb -0.12 -2.48 0.19 0.00 0.04 0.00 0.00 34.50 32.13 2rdx s PRO 52 CO -0.03 0.16 0.94 0.00 0.04 0.00 0.00 177.00 178.11 2rdx n GLY 54 N 4.37 -0.79 0.13 0.00 0.00 -1.26 -4.59 105.19 103.06 2rdx n GLY 54 Ca 0.19 -1.19 0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 1.22 0.22 -0.29 1.61 -0.58 -1.26 -2.94 120.64 118.62 2rdx n GLU 55 Ca 0.00 0.39 0.09 0.00 -0.42 0.00 0.00 57.16 57.22 2rdx n GLU 55 Cb 0.00 -1.87 0.20 0.00 -0.57 0.00 0.00 31.44 29.20 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 -2.27 3.08 -0.02 1.62 6.94 -1.26 -4.44 115.26 118.91 2rdx n ASN 56 Ca 0.03 -3.10 -0.16 0.00 -0.02 0.00 0.00 54.58 51.33 2rdx n ASN 56 Cb 0.27 -0.49 -0.10 0.00 -2.36 0.00 0.00 39.78 37.10 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 0.92 0.54 -3.27 -2.53 3.20 -1.78 -3.48 116.97 110.57 2rdx h TYR 57 Ca 0.01 -0.26 -0.20 0.00 3.14 0.00 0.00 58.73 61.42 2rdx h TYR 57 Cb 1.24 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 39.38 2rdx h TYR 57 CO 0.29 1.03 -0.19 0.00 -1.64 0.00 0.00 178.16 177.65 2rdx n MET 58 N -4.33 0.28 -2.47 1.82 0.00 -1.26 -5.02 117.12 106.14 2rdx n MET 58 Ca -0.09 -1.38 -0.43 0.00 0.00 0.00 0.00 57.70 55.81 2rdx n MET 58 Cb 0.57 1.06 -0.00 0.00 0.00 0.00 0.00 33.22 34.85 2rdx n MET 58 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2rdx n ILE 59 N -0.28 3.85 -3.65 3.17 5.41 -1.26 -4.75 119.36 121.85 2rdx n ILE 59 Ca 0.02 -3.93 0.01 0.00 1.00 0.00 0.00 62.75 59.84 2rdx n ILE 59 Cb 0.25 -2.38 -0.06 0.00 -0.71 0.00 0.00 39.64 36.74 2rdx n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2rdx s ALA 60 N 4.24 -2.52 0.04 -1.39 0.00 -1.26 -4.79 121.76 116.08 2rdx s ALA 60 Ca 0.53 2.05 -0.03 0.00 0.00 0.00 0.00 51.96 54.51 2rdx s ALA 60 Cb 0.05 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.26 2rdx s ALA 60 CO 0.06 -0.32 0.04 -3.38 0.00 0.00 0.00 175.76 172.16 2rdx s HIS 61 N 1.12 0.29 0.38 0.00 -3.43 -1.26 -4.55 115.29 107.84 2rdx s HIS 61 Ca -0.08 -0.65 0.08 0.00 -0.80 0.00 0.00 55.06 53.61 2rdx s HIS 61 Cb -0.03 -0.21 0.77 0.00 -1.43 0.00 0.00 32.58 31.67 2rdx s HIS 61 CO -0.12 -0.33 1.93 0.66 -2.00 0.00 0.00 174.74 174.88 2rdx h SER 62 N 3.73 0.32 1.08 7.38 4.64 -1.90 -2.73 113.55 126.06 2rdx h SER 62 Ca -0.33 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2rdx h SER 62 Cb 1.18 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2rdx h SER 62 CO 0.52 0.41 0.00 -0.33 -0.87 0.00 0.00 176.83 176.56 2rdx h GLU 63 N 0.33 0.00 0.00 4.77 4.39 -1.97 -3.16 114.58 118.93 2rdx h GLU 63 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2rdx h GLU 63 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2rdx h GLU 63 CO 0.01 0.00 0.00 0.78 -1.16 0.00 0.00 179.01 178.64 2rdx h GLY 64 N 2.24 0.00 0.89 -3.84 0.00 -1.92 -2.99 103.07 97.46 2rdx h GLY 64 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 2rdx h GLY 64 CO 0.00 0.00 -0.24 -2.08 0.00 0.00 0.00 176.54 174.22 2rdx h VAL 65 N 0.00 1.32 -0.45 4.60 2.07 -1.71 -2.44 116.25 119.63 2rdx h VAL 65 Ca 0.00 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 2rdx h VAL 65 Cb 0.55 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 2rdx h VAL 65 CO 0.00 0.44 0.26 0.44 0.02 0.00 0.00 177.57 178.73 2rdx h ASP 66 N 0.28 0.56 -0.38 0.57 3.45 -1.72 -1.57 116.42 117.61 2rdx h ASP 66 Ca 0.04 -0.07 0.02 0.00 0.43 0.00 0.00 57.03 57.44 2rdx h ASP 66 Cb 0.80 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 39.40 2rdx h ASP 66 CO 0.06 0.47 0.21 0.00 -1.57 0.00 0.00 179.24 178.41 2rdx h ALA 67 N 1.11 0.48 -0.15 3.45 0.00 -1.57 -1.26 119.26 121.32 2rdx h ALA 67 Ca 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2rdx h ALA 67 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2rdx h ALA 67 CO -0.03 -0.13 0.06 0.35 0.00 0.00 0.00 179.25 179.49 2rdx h PHE 68 N 0.43 0.23 -0.94 0.00 3.57 -1.32 -3.02 116.94 115.89 2rdx h PHE 68 Ca 0.15 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.66 2rdx h PHE 68 Cb 0.03 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 2rdx h PHE 68 CO -0.08 0.32 0.62 0.00 -2.23 0.00 0.00 178.31 176.93 2rdx h ALA 69 N 0.89 1.37 -0.69 2.41 0.00 -1.07 0.44 119.26 122.61 2rdx h ALA 69 Ca 0.05 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2rdx h ALA 69 Cb 0.18 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2rdx h ALA 69 CO -0.00 0.56 0.46 0.00 0.00 0.00 0.00 179.25 180.27 2rdx h ARG 70 N 1.23 0.91 0.01 0.00 3.08 -1.18 0.56 114.38 118.98 2rdx h ARG 70 Ca 0.36 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.28 2rdx h ARG 70 Cb -0.06 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 29.79 2rdx h ARG 70 CO -0.10 0.60 -0.27 -0.07 -1.07 0.00 0.00 179.97 179.07 2rdx h LEU 71 N 0.94 0.23 0.05 3.04 3.38 -1.21 -3.43 115.31 118.30 2rdx h LEU 71 Ca 0.25 -0.81 -0.19 0.00 0.09 0.00 0.00 57.88 57.22 2rdx h LEU 71 Cb -0.11 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2rdx h LEU 71 CO -0.05 1.01 -1.00 0.00 0.09 0.00 0.00 178.44 178.48 2rdx h ALA 72 N 0.22 0.16 -0.85 1.53 0.00 0.11 -3.40 119.26 117.03 2rdx h ALA 72 Ca -0.04 -0.98 0.18 0.00 0.00 0.00 0.00 54.91 54.07 2rdx h ALA 72 Cb 1.05 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 19.18 2rdx h ALA 72 CO 0.05 0.57 0.38 0.00 0.00 0.00 0.00 179.25 180.26 2rdx h ALA 73 N -0.19 1.28 -0.85 0.00 0.00 -1.10 0.21 119.26 118.63 2rdx h ALA 73 Ca -0.24 0.13 0.15 0.00 0.00 0.00 0.00 54.91 54.95 2rdx h ALA 73 Cb 1.41 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.22 2rdx h ALA 73 CO -0.05 -0.22 0.55 -1.35 0.00 0.00 0.00 179.25 178.18 2rdx h PRO 74 N 0.48 0.55 0.00 0.00 0.11 -1.78 -2.37 132.00 128.99 2rdx h PRO 74 Ca 0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.57 2rdx h PRO 74 Cb 0.81 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2rdx h PRO 74 CO -0.44 0.36 -0.28 1.96 -0.21 0.00 0.00 178.00 179.39 2rdx h GLN 75 N 0.56 0.00 0.00 1.05 1.08 -1.20 -3.29 115.11 113.31 2rdx h GLN 75 Ca 0.43 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.63 2rdx h GLN 75 Cb 0.82 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.25 2rdx h GLN 75 CO -0.18 0.00 -0.67 -0.07 -0.95 0.00 0.00 178.83 176.97 2rdx h LEU 76 N 0.00 0.00 -9.69 1.46 3.38 -0.89 -3.46 115.31 106.10 2rdx h LEU 76 Ca 0.00 -0.08 -0.53 0.00 0.09 0.00 0.00 57.88 57.37 2rdx h LEU 76 Cb 0.82 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.62 2rdx h LEU 76 CO 0.00 0.04 0.82 -0.76 0.09 0.00 0.00 178.44 178.63 2rdx s LEU 77 N -5.05 4.38 0.00 1.67 1.43 -1.13 -2.73 118.68 117.25 2rdx s LEU 77 Ca 0.04 2.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 2rdx s LEU 77 Cb 0.10 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.71 2rdx s LEU 77 CO 0.74 -0.77 0.00 0.61 0.23 0.00 0.00 176.35 177.16 2rdx n GLY 78 N 2.83 0.76 3.95 -3.19 0.00 0.10 -4.91 105.19 104.73 2rdx n GLY 78 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2rdx n GLY 78 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rdx s GLN 79 N -0.39 3.12 -0.53 1.61 -1.52 -1.10 -4.52 119.66 116.32 2rdx s GLN 79 Ca 0.00 -0.44 -0.21 0.00 -1.95 0.00 0.00 55.36 52.76 2rdx s GLN 79 Cb 0.00 -2.56 0.05 0.00 -0.22 0.00 0.00 33.01 30.29 2rdx s GLN 79 CO 0.00 -0.23 0.76 0.34 -0.25 0.00 0.00 175.29 175.91 2rdx s ASP 80 N -4.20 6.26 0.46 5.90 -1.08 -1.25 -0.23 116.67 122.54 2rdx s ASP 80 Ca 0.48 -0.73 0.30 0.00 -0.52 0.00 0.00 52.55 52.08 2rdx s ASP 80 Cb -0.10 -2.35 1.18 0.00 -1.46 0.00 0.00 42.92 40.19 2rdx s ASP 80 CO 0.38 -1.05 1.88 1.55 0.52 0.00 0.00 175.17 178.45 2rdx h PRO 81 N 9.15 0.00 0.00 4.34 0.13 -1.92 -2.95 132.00 140.74 2rdx h PRO 81 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2rdx h PRO 81 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2rdx h PRO 81 CO 1.03 0.00 -0.07 2.89 -0.23 0.00 0.00 178.00 181.62 2rdx n ARG 82 N -2.85 0.12 -2.68 0.86 1.85 -1.26 -4.13 116.66 108.57 2rdx n ARG 82 Ca 0.01 0.09 -0.43 0.00 -1.00 0.00 0.00 57.85 56.52 2rdx n ARG 82 Cb 0.31 -1.63 0.00 0.00 -1.05 0.00 0.00 32.46 30.09 2rdx n ARG 82 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2rdx n GLN 83 N -1.84 3.35 0.02 2.89 6.02 -1.11 -4.84 117.38 121.86 2rdx n GLN 83 Ca 0.06 -3.59 0.11 0.00 -0.01 0.00 0.00 57.00 53.57 2rdx n GLN 83 Cb 0.38 -3.12 0.56 0.00 1.02 0.00 0.00 30.24 29.08 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 4.60 0.92 0.00 5.09 -1.51 -1.86 -0.73 116.25 122.77 2rdx h VAL 84 Ca 0.38 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.76 2rdx h VAL 84 Cb 0.81 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 2rdx h VAL 84 CO 1.41 0.05 -0.85 0.00 -1.23 0.00 0.00 177.57 176.95 2rdx h ALA 85 N 1.78 0.50 -0.04 5.19 0.00 -1.94 -0.17 119.26 124.58 2rdx h ALA 85 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 2rdx h ALA 85 Cb 0.41 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2rdx h ALA 85 CO -0.04 0.00 -0.46 -0.09 0.00 0.00 0.00 179.25 178.67 2rdx h ARG 86 N 0.00 0.38 -0.80 0.00 2.43 -1.59 -2.94 114.38 111.87 2rdx h ARG 86 Ca 0.00 -0.36 -0.03 0.00 -0.81 0.00 0.00 59.98 58.78 2rdx h ARG 86 Cb 0.85 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.45 2rdx h ARG 86 CO 0.00 1.02 0.38 0.52 -1.51 0.00 0.00 179.97 180.38 2rdx h MET 87 N -0.12 1.14 0.12 0.20 2.86 -1.18 -1.01 114.93 116.94 2rdx h MET 87 Ca -0.05 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.44 2rdx h MET 87 Cb 1.14 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 2rdx h MET 87 CO 0.09 0.88 -0.17 1.49 1.06 0.00 0.00 176.91 180.26 2rdx h GLU 88 N 1.13 -0.33 0.00 1.72 4.81 -1.11 -0.76 114.58 120.05 2rdx h GLU 88 Ca 0.27 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2rdx h GLU 88 Cb 0.11 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2rdx h GLU 88 CO -0.03 -0.22 0.00 0.00 -0.73 0.00 0.00 179.01 178.03 2rdx h ARG 89 N -0.34 0.00 -0.02 1.92 3.08 -1.37 -0.81 114.38 116.84 2rdx h ARG 89 Ca 0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 2rdx h ARG 89 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2rdx h ARG 89 CO -0.08 0.00 -0.08 1.25 -1.07 0.00 0.00 179.97 179.98 2rdx h LEU 90 N 0.00 0.11 -1.23 3.04 5.85 -1.05 -1.15 115.31 120.88 2rdx h LEU 90 Ca 0.00 -0.64 0.02 0.00 0.84 0.00 0.00 57.88 58.11 2rdx h LEU 90 Cb 0.74 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 2rdx h LEU 90 CO 0.00 0.73 0.53 0.24 -0.34 0.00 0.00 178.44 179.60 2rdx h MET 91 N -0.49 1.00 0.00 1.25 2.86 -1.00 -0.38 114.93 118.16 2rdx h MET 91 Ca -0.00 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2rdx h MET 91 Cb 0.72 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 2rdx h MET 91 CO 0.02 0.66 -0.12 -0.44 1.06 0.00 0.00 176.91 178.09 2rdx h ASP 92 N 1.03 0.00 0.69 1.22 3.32 -1.16 -2.26 116.42 119.25 2rdx h ASP 92 Ca 0.31 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.10 2rdx h ASP 92 Cb -0.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 2rdx h ASP 92 CO -0.08 0.12 -1.18 -0.74 -1.72 0.00 0.00 179.24 175.64 2rdx h HIS 93 N 0.00 0.40 0.19 4.55 -0.00 -0.42 -3.38 115.15 116.50 2rdx h HIS 93 Ca -0.00 -0.29 -0.01 0.00 -0.00 0.00 0.00 60.37 60.07 2rdx h HIS 93 Cb 0.84 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.24 2rdx h HIS 93 CO 0.00 1.22 -0.09 -0.07 -0.00 0.00 0.00 177.93 178.99 2rdx h LEU 94 N 0.07 -0.21 -7.98 0.26 3.38 -0.90 -3.45 115.31 106.47 2rdx h LEU 94 Ca -0.11 -0.27 -0.29 0.00 0.09 0.00 0.00 57.88 57.31 2rdx h LEU 94 Cb 1.91 0.06 -0.25 0.00 0.09 0.00 0.00 40.66 42.46 2rdx h LEU 94 CO 0.19 0.18 -0.74 0.68 0.09 0.00 0.00 178.44 178.84 2rdx s VAL 95 N -4.50 0.40 0.34 1.22 -7.23 -0.87 -5.08 120.40 104.68 2rdx s VAL 95 Ca -0.14 -0.54 -0.23 0.00 -1.81 0.00 0.00 61.98 59.26 2rdx s VAL 95 Cb 0.02 -0.40 -0.10 0.00 0.56 0.00 0.00 36.38 36.46 2rdx s VAL 95 CO 0.58 -0.10 0.89 -1.10 -0.31 0.00 0.00 175.10 175.06 2rdx s GLN 96 N -0.69 4.37 4.17 4.82 -0.21 -1.26 -4.33 119.66 126.53 2rdx s GLN 96 Ca -0.03 1.14 0.00 0.00 0.02 0.00 0.00 55.36 56.48 2rdx s GLN 96 Cb -0.05 -2.58 0.00 0.00 1.00 0.00 0.00 33.01 31.38 2rdx s GLN 96 CO -0.00 0.19 0.00 0.41 -2.12 0.00 0.00 175.29 173.77 2rdx n GLY 97 N 0.12 1.11 3.91 3.09 0.00 -1.26 -4.92 105.19 107.24 2rdx n GLY 97 Ca 0.03 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 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 2.54 -2.22 -0.07 1.61 8.25 -1.26 -4.88 115.22 119.18 2rdx n HIS 98 Ca 0.00 0.89 0.02 0.00 -0.26 0.00 0.00 57.72 58.37 2rdx n HIS 98 Cb 0.00 -3.98 0.33 0.00 1.12 0.00 0.00 29.99 27.46 2rdx n HIS 98 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2rdx h GLY 99 N -2.04 0.73 0.16 -1.41 0.00 -1.90 -1.40 103.07 97.22 2rdx h GLY 99 Ca -0.59 -0.32 0.23 0.00 0.00 0.00 0.00 47.33 46.66 2rdx h GLY 99 CO 0.66 0.30 0.63 0.10 0.00 0.00 0.00 176.54 178.24 2rdx h TYR 100 N 0.69 0.50 0.00 5.60 -0.00 -1.85 -0.86 116.97 121.05 2rdx h TYR 100 Ca 0.18 0.02 -0.19 0.00 0.00 0.00 0.00 58.73 58.73 2rdx h TYR 100 Cb 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 36.73 36.58 2rdx h TYR 100 CO 0.00 0.11 -1.23 0.00 -0.00 0.00 0.00 178.16 177.04 2rdx h ALA 101 N 1.60 0.63 0.00 0.10 0.00 -1.58 -3.26 119.26 116.75 2rdx h ALA 101 Ca 0.50 -0.94 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 2rdx h ALA 101 Cb 1.34 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2rdx h ALA 101 CO -0.18 1.09 -0.70 0.87 0.00 0.00 0.00 179.25 180.33 2rdx h LYS 102 N 0.00 0.00 -0.70 0.00 1.57 -1.32 -3.38 116.57 112.74 2rdx h LYS 102 Ca -0.13 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.78 2rdx h LYS 102 Cb 1.69 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.90 2rdx h LYS 102 CO 0.07 0.63 0.20 0.00 -0.57 0.00 0.00 179.45 179.78 2rdx h ALA 103 N 1.35 0.90 -0.18 3.86 0.00 -1.21 -0.93 119.26 123.05 2rdx h ALA 103 Ca -0.02 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2rdx h ALA 103 Cb 1.51 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 2rdx h ALA 103 CO 0.08 -0.29 -0.26 -1.35 0.00 0.00 0.00 179.25 177.44 2rdx h PRO 104 N 0.32 0.34 -0.29 0.00 0.11 -1.76 -2.16 132.00 128.56 2rdx h PRO 104 Ca 0.38 -0.12 -0.04 0.00 0.11 0.00 0.00 66.00 66.33 2rdx h PRO 104 Cb 0.60 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 2rdx h PRO 104 CO -0.44 0.58 0.04 0.74 -0.21 0.00 0.00 178.00 178.71 2rdx h PHE 105 N 0.31 0.53 -0.62 0.65 0.04 -1.55 -2.54 116.94 113.75 2rdx h PHE 105 Ca 0.05 -0.08 0.03 0.00 2.80 0.00 0.00 57.97 60.77 2rdx h PHE 105 Cb 0.62 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.58 2rdx h PHE 105 CO 0.01 0.60 0.37 0.22 -0.60 0.00 0.00 178.31 178.92 2rdx h ASP 106 N 0.31 0.60 -0.70 2.17 3.58 -1.14 -1.56 116.42 119.68 2rdx h ASP 106 Ca 0.09 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.57 2rdx h ASP 106 Cb 0.36 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.25 2rdx h ASP 106 CO 0.01 0.41 0.45 0.00 -2.88 0.00 0.00 179.24 177.23 2rdx h ALA 107 N 1.28 0.91 -0.31 -0.78 0.00 -1.34 -1.77 119.26 117.27 2rdx h ALA 107 Ca 0.26 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2rdx h ALA 107 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2rdx h ALA 107 CO -0.12 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.38 2rdx h ALA 108 N 1.29 1.44 -0.25 0.00 0.00 -0.96 -0.69 119.26 120.09 2rdx h ALA 108 Ca 0.28 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2rdx h ALA 108 Cb -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2rdx h ALA 108 CO -0.09 0.40 -0.17 0.74 0.00 0.00 0.00 179.25 180.12 2rdx h PHE 109 N 0.45 0.66 -0.70 0.00 0.04 -0.81 -1.86 116.94 114.72 2rdx h PHE 109 Ca 0.10 -0.18 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 2rdx h PHE 109 Cb 0.29 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 2rdx h PHE 109 CO 0.01 0.85 0.31 -1.49 -0.60 0.00 0.00 178.31 177.40 2rdx h TRP 110 N 0.28 1.01 -0.29 -0.55 4.06 -1.04 -1.09 115.95 118.33 2rdx h TRP 110 Ca 0.05 -0.05 0.01 0.00 2.06 0.00 0.00 58.89 60.96 2rdx h TRP 110 Cb 0.71 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 28.53 2rdx h TRP 110 CO 0.07 0.75 0.16 0.22 -3.56 0.00 0.00 178.44 176.08 2rdx h ASP 111 N 1.00 0.24 -0.39 -3.49 3.58 -1.05 -1.88 116.42 114.43 2rdx h ASP 111 Ca 0.24 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.64 2rdx h ASP 111 Cb 0.14 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 2rdx h ASP 111 CO -0.03 0.18 0.01 0.40 -2.88 0.00 0.00 179.24 176.93 2rdx h ILE 112 N 0.32 1.26 -0.72 2.25 2.04 -1.03 -2.39 117.51 119.25 2rdx h ILE 112 Ca 0.12 -0.98 0.03 0.00 1.00 0.00 0.00 64.86 65.02 2rdx h ILE 112 Cb 0.02 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 2rdx h ILE 112 CO -0.07 0.33 0.46 0.25 0.00 0.00 0.00 178.15 179.12 2rdx h LEU 113 N 0.51 0.76 -0.91 1.44 5.85 -1.11 0.30 115.31 122.15 2rdx h LEU 113 Ca 0.11 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.84 2rdx h LEU 113 Cb 0.45 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 2rdx h LEU 113 CO 0.02 0.53 0.60 1.23 -0.34 0.00 0.00 178.44 180.47 2rdx h GLY 114 N 0.90 1.29 0.83 3.75 0.00 -1.23 -0.46 103.07 108.14 2rdx h GLY 114 Ca 0.28 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 2rdx h GLY 114 CO -0.10 0.45 -0.02 1.46 0.00 0.00 0.00 176.54 178.33 2rdx h GLN 115 N 1.22 0.40 0.00 4.80 4.20 -0.86 0.21 115.11 125.08 2rdx h GLN 115 Ca 0.34 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 2rdx h GLN 115 Cb -0.11 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 2rdx h GLN 115 CO -0.08 0.62 -0.22 0.00 -0.67 0.00 0.00 178.83 178.48 2rdx h ALA 116 N 0.77 1.62 0.00 3.87 0.00 -0.76 -2.53 119.26 122.24 2rdx h ALA 116 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2rdx h ALA 116 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2rdx h ALA 116 CO 0.02 0.27 -0.65 0.25 0.00 0.00 0.00 179.25 179.14 2rdx n THR 117 N -4.26 0.04 -2.21 0.00 -2.24 -0.20 -4.97 114.28 100.44 2rdx n THR 117 Ca -0.02 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 2rdx n THR 117 Cb 0.28 0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 68.84 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 -0.10 3.12 3.38 0.00 -0.17 -5.03 105.19 107.86 2rdx n GLY 118 Ca 0.05 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 2rdx n GLY 118 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rdx s GLN 119 N -4.59 0.91 0.67 1.61 -1.52 0.56 -4.60 119.66 112.72 2rdx s GLN 119 Ca 0.00 -0.66 -0.17 0.00 -1.95 0.00 0.00 55.36 52.59 2rdx s GLN 119 Cb 0.00 -0.90 0.01 0.00 -0.22 0.00 0.00 33.01 31.90 2rdx s GLN 119 CO 0.00 0.23 1.24 -1.25 -0.25 0.00 0.00 175.29 175.25 2rdx s PRO 120 N -0.90 2.46 0.53 2.91 0.04 -1.23 -1.36 135.00 137.45 2rdx s PRO 120 Ca 0.02 1.88 0.19 0.00 0.04 0.00 0.00 61.00 63.13 2rdx s PRO 120 Cb -0.07 -1.86 1.39 0.00 0.04 0.00 0.00 34.50 34.00 2rdx s PRO 120 CO 0.01 -1.62 2.17 0.28 0.04 0.00 0.00 177.00 177.88 2rdx h VAL 121 N 0.25 0.89 -0.35 -0.36 2.07 -1.75 -1.41 116.25 115.59 2rdx h VAL 121 Ca -0.49 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 2rdx h VAL 121 Cb 1.31 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 2rdx h VAL 121 CO 0.52 0.00 0.08 4.11 0.02 0.00 0.00 177.57 182.30 2rdx h TRP 122 N 0.00 0.51 -0.51 1.57 5.08 -1.89 -2.02 115.95 118.70 2rdx h TRP 122 Ca 0.01 -0.03 -0.03 0.00 1.08 0.00 0.00 58.89 59.92 2rdx h TRP 122 Cb 0.04 -0.16 -0.02 0.00 -3.00 0.00 0.00 29.16 26.02 2rdx h TRP 122 CO 0.00 0.45 0.19 1.98 -1.28 0.00 0.00 178.44 179.78 2rdx h MET 123 N 0.50 0.77 0.00 0.12 4.05 -1.52 0.11 114.93 118.97 2rdx h MET 123 Ca 0.12 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2rdx h MET 123 Cb 0.20 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 2rdx h MET 123 CO -0.00 0.70 0.00 -0.07 0.23 0.00 0.00 176.91 177.76 2rdx h LEU 124 N 0.69 0.00 -1.31 3.39 3.38 -1.47 -2.16 115.31 117.83 2rdx h LEU 124 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2rdx h LEU 124 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2rdx h LEU 124 CO -0.01 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.70 2rdx n LEU 125 N -2.62 2.00 0.00 1.67 4.32 -0.79 -4.92 117.00 116.65 2rdx n LEU 125 Ca 0.03 -0.77 0.00 0.00 -0.02 0.00 0.00 56.01 55.25 2rdx n LEU 125 Cb 0.34 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 2rdx n LEU 125 CO 0.26 0.38 0.00 0.61 -1.22 0.00 0.00 177.39 177.43 2rdx n GLY 126 N 1.22 1.60 0.00 -0.72 0.00 -0.82 -4.93 105.19 101.54 2rdx n GLY 126 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 1.08 3.46 -0.02 0.00 0.35 -4.95 105.19 105.12 2rdx n GLY 127 Ca 0.00 -2.28 -0.43 0.00 0.00 0.00 0.00 46.02 43.30 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 -1.11 3.36 0.00 1.61 2.20 -1.26 -4.05 119.74 120.49 2rdx s LYS 128 Ca 0.00 -1.25 0.24 0.00 -0.36 0.00 0.00 55.97 54.60 2rdx s LYS 128 Cb 0.00 -4.62 0.36 0.00 -1.51 0.00 0.00 37.83 32.06 2rdx s LYS 128 CO 0.00 -1.84 1.32 1.28 -0.36 0.00 0.00 175.35 175.75 2rdx n LEU 129 N 7.33 1.51 -3.63 5.43 4.32 0.36 -4.76 117.00 127.55 2rdx n LEU 129 Ca 0.11 -0.50 -0.11 0.00 -0.02 0.00 0.00 56.01 55.49 2rdx n LEU 129 Cb 0.47 -0.06 -0.11 0.00 -1.62 0.00 0.00 43.42 42.11 2rdx n LEU 129 CO 0.58 0.28 -0.04 0.00 -1.22 0.00 0.00 177.39 176.99 2rdx s ASP 131 N 2.53 6.19 -0.04 0.00 2.15 -1.26 -4.58 116.67 121.65 2rdx s ASP 131 Ca 0.01 -1.52 -0.02 0.00 0.43 0.00 0.00 52.55 51.45 2rdx s ASP 131 Cb -0.12 -2.25 0.01 0.00 -0.30 0.00 0.00 42.92 40.25 2rdx s ASP 131 CO -0.11 -0.95 0.04 0.61 -0.17 0.00 0.00 175.17 174.59 2rdx n GLY 132 N 5.25 -3.35 3.73 2.66 0.00 -1.26 -5.00 105.19 107.22 2rdx n GLY 132 Ca -0.11 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.18 3.77 0.60 4.61 0.00 -0.80 -4.64 121.76 125.11 2rdx s ALA 133 Ca -0.05 1.41 -0.18 0.00 0.00 0.00 0.00 51.96 53.15 2rdx s ALA 133 Cb 0.00 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 2rdx s ALA 133 CO 0.16 -0.81 1.16 -2.14 0.00 0.00 0.00 175.76 174.13 2rdx s PRO 134 N 0.71 2.98 0.28 0.00 0.02 -1.26 -0.24 135.00 137.50 2rdx s PRO 134 Ca 0.68 1.65 0.10 0.00 0.02 0.00 0.00 61.00 63.46 2rdx s PRO 134 Cb -0.45 -1.95 -0.05 0.00 0.02 0.00 0.00 34.50 32.08 2rdx s PRO 134 CO 0.35 -1.16 -0.08 -1.64 -0.33 0.00 0.00 177.00 174.15 2rdx s MET 135 N -3.54 2.02 0.16 5.54 -1.94 0.53 -1.38 119.30 120.68 2rdx s MET 135 Ca 0.73 -1.62 0.11 0.00 -1.71 0.00 0.00 55.69 53.21 2rdx s MET 135 Cb -0.26 -1.97 -0.04 0.00 2.01 0.00 0.00 34.83 34.57 2rdx s MET 135 CO 0.34 0.31 -0.25 1.52 -0.01 0.00 0.00 175.02 176.93 2rdx s TYR 136 N -2.43 2.32 -0.25 -0.03 -0.85 -1.22 -3.95 117.35 110.94 2rdx s TYR 136 Ca 0.31 -0.37 -0.03 0.00 -0.52 0.00 0.00 57.07 56.47 2rdx s TYR 136 Cb -0.05 -1.20 0.02 0.00 0.38 0.00 0.00 41.96 41.11 2rdx s TYR 136 CO 0.18 0.42 -0.04 1.03 -1.52 0.00 0.00 175.55 175.62 2rdx s ARG 137 N -2.35 2.98 -0.34 -3.49 1.81 -0.62 -4.88 118.95 112.06 2rdx s ARG 137 Ca 0.17 -0.89 -0.24 0.00 -1.72 0.00 0.00 55.73 53.05 2rdx s ARG 137 Cb -0.09 -3.04 0.01 0.00 -0.45 0.00 0.00 34.95 31.38 2rdx s ARG 137 CO 0.08 -0.37 0.84 0.54 -0.68 0.00 0.00 175.30 175.72 2rdx s VAL 138 N 1.38 4.70 -0.42 3.52 0.11 -1.26 -2.00 120.40 126.42 2rdx s VAL 138 Ca 0.02 1.13 -0.24 0.00 -2.93 0.00 0.00 61.98 59.96 2rdx s VAL 138 Cb -0.16 -4.24 0.02 0.00 -1.53 0.00 0.00 36.38 30.47 2rdx s VAL 138 CO -0.03 -0.40 0.83 0.00 -3.33 0.00 0.00 175.10 172.17 2rdx s ALA 139 N 3.19 3.33 1.10 1.54 0.00 -0.45 -4.94 121.76 125.53 2rdx s ALA 139 Ca 0.34 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 51.36 2rdx s ALA 139 Cb -0.13 -3.48 0.22 0.00 0.00 0.00 0.00 23.12 19.72 2rdx s ALA 139 CO 0.16 -1.79 1.00 -2.30 0.00 0.00 0.00 175.76 172.82 2rdx n PRO 140 N 6.74 -1.87 -2.24 0.00 -0.02 -1.26 -2.65 135.00 133.69 2rdx n PRO 140 Ca 0.04 -1.56 -0.41 0.00 -2.02 0.00 0.00 63.50 59.54 2rdx n PRO 140 Cb 0.48 -1.23 -0.03 0.00 -0.02 0.00 0.00 33.50 32.71 2rdx n PRO 140 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2rdx s GLN 141 N -5.22 3.11 0.00 -0.52 -0.21 -1.20 -4.73 119.66 110.90 2rdx s GLN 141 Ca 0.60 0.63 0.00 0.00 0.02 0.00 0.00 55.36 56.61 2rdx s GLN 141 Cb -0.04 -4.21 0.00 0.00 1.00 0.00 0.00 33.01 29.76 2rdx s GLN 141 CO 0.44 -2.15 0.00 2.89 -2.12 0.00 0.00 175.29 174.35 2rdx n ARG 142 N 8.79 0.00 0.00 2.91 1.85 -1.26 -4.63 116.66 124.32 2rdx n ARG 142 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 2rdx n ARG 142 Cb 0.50 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.91 2rdx n ARG 142 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2rdx n SER 143 N 0.00 -0.12 -0.02 2.89 2.88 -1.26 -5.09 113.62 112.90 2rdx n SER 143 Ca 0.00 -0.38 -0.06 0.00 -1.33 0.00 0.00 58.87 57.11 2rdx n SER 143 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2rdx n SER 143 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2rdx n GLU 144 N -0.50 0.19 0.00 -1.46 -0.58 -1.26 -4.73 120.64 112.30 2rdx n GLU 144 Ca 0.00 0.08 0.10 0.00 -0.42 0.00 0.00 57.16 56.92 2rdx n GLU 144 Cb 0.00 -0.83 0.50 0.00 -0.57 0.00 0.00 31.44 30.54 2rdx n GLU 144 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rdx n ALA 145 N -3.67 2.04 0.54 0.62 0.00 -1.26 -3.09 120.51 115.69 2rdx n ALA 145 Ca -0.10 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.36 2rdx n ALA 145 Cb 0.35 -1.33 0.04 0.00 0.00 0.00 0.00 19.45 18.51 2rdx n ALA 145 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2rdx n GLU 146 N -1.32 0.31 0.14 0.00 -0.00 -1.26 -3.99 120.64 114.52 2rdx n GLU 146 Ca 0.09 0.01 0.13 0.00 -0.00 0.00 0.00 57.16 57.39 2rdx n GLU 146 Cb 0.17 -1.61 0.41 0.00 -0.00 0.00 0.00 31.44 30.41 2rdx n GLU 146 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 2rdx h THR 147 N 0.00 0.00 0.00 3.84 1.35 -1.83 -2.89 112.91 113.38 2rdx h THR 147 Ca 0.00 -0.49 -0.05 0.00 -0.55 0.00 0.00 66.41 65.32 2rdx h THR 147 Cb 0.75 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 2rdx h THR 147 CO 0.00 0.00 -0.24 -0.09 -0.25 0.00 0.00 175.52 174.94 2rdx h ARG 148 N 0.00 0.00 0.02 4.72 2.43 -1.78 -2.37 114.38 117.40 2rdx h ARG 148 Ca 0.00 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.86 2rdx h ARG 148 Cb 0.67 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.17 2rdx h ARG 148 CO 0.00 0.24 -1.84 0.00 -1.51 0.00 0.00 179.97 176.87 2rdx n ALA 149 N -2.23 1.41 -0.38 2.80 0.00 -1.18 -3.90 120.51 117.02 2rdx n ALA 149 Ca 0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 53.44 52.63 2rdx n ALA 149 Cb 0.44 -0.74 0.14 0.00 0.00 0.00 0.00 19.45 19.29 2rdx n ALA 149 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2rdx h GLU 150 N 0.01 1.26 -0.18 0.00 5.08 -1.37 -1.74 114.58 117.63 2rdx h GLU 150 Ca -0.34 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 57.91 2rdx h GLU 150 Cb 2.04 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 31.00 2rdx h GLU 150 CO 0.07 0.83 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.81 2rdx h LEU 151 N 1.29 0.35 -1.68 1.33 4.07 -1.60 -2.21 115.31 116.86 2rdx h LEU 151 Ca 0.40 -0.36 -0.04 0.00 0.08 0.00 0.00 57.88 57.96 2rdx h LEU 151 Cb -0.03 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 2rdx h LEU 151 CO -0.12 0.63 -0.19 0.00 -1.08 0.00 0.00 178.44 177.68 2rdx h ALA 152 N 0.74 1.49 0.11 1.53 0.00 -1.65 0.51 119.26 121.99 2rdx h ALA 152 Ca 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2rdx h ALA 152 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2rdx h ALA 152 CO 0.02 0.23 -0.05 -0.09 0.00 0.00 0.00 179.25 179.36 2rdx h ARG 153 N 0.00 -0.14 0.00 0.00 2.43 -1.25 -2.99 114.38 112.44 2rdx h ARG 153 Ca -0.00 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 2rdx h ARG 153 Cb 0.38 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2rdx h ARG 153 CO 0.02 0.19 -0.50 0.45 -1.51 0.00 0.00 179.97 178.62 2rdx h HIS 154 N -0.48 0.00 -0.48 2.20 3.86 -0.95 -2.45 115.15 116.85 2rdx h HIS 154 Ca -0.01 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.10 2rdx h HIS 154 Cb 0.39 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 2rdx h HIS 154 CO 0.03 0.50 -0.06 -0.09 0.86 0.00 0.00 177.93 179.17 2rdx h ARG 155 N 0.00 0.89 0.00 2.45 2.43 -0.08 -1.47 114.38 118.60 2rdx h ARG 155 Ca -0.00 -0.31 -0.03 0.00 -0.81 0.00 0.00 59.98 58.82 2rdx h ARG 155 Cb 1.33 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2rdx h ARG 155 CO 0.06 0.96 -0.14 0.00 -1.51 0.00 0.00 179.97 179.34 2rdx h ALA 156 N 0.90 0.95 0.00 2.80 0.00 -1.52 -3.15 119.26 119.25 2rdx h ALA 156 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rdx h ALA 156 Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2rdx h ALA 156 CO 0.04 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.46 2rdx n ALA 157 N -2.15 2.34 0.00 0.00 0.00 -0.93 -4.92 120.51 114.86 2rdx n ALA 157 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2rdx n ALA 157 Cb 0.49 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2rdx n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rdx n GLY 158 N 1.43 2.18 3.77 0.00 0.00 -1.10 -3.44 105.19 108.03 2rdx n GLY 158 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.27 2.98 0.00 1.61 1.51 -0.57 -4.44 117.35 116.17 2rdx s TYR 159 Ca 0.00 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.58 2rdx s TYR 159 Cb 0.00 -3.45 0.00 0.00 -0.11 0.00 0.00 41.96 38.40 2rdx s TYR 159 CO 0.00 -1.53 0.21 0.54 -1.11 0.00 0.00 175.55 173.66 2rdx n ARG 160 N -0.01 -0.04 -4.86 -0.62 5.12 -1.26 -4.18 116.66 110.81 2rdx n ARG 160 Ca 0.05 -0.23 -0.27 0.00 -1.93 0.00 0.00 57.85 55.46 2rdx n ARG 160 Cb 0.46 -0.61 -0.16 0.00 -1.16 0.00 0.00 32.46 30.99 2rdx n ARG 160 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2rdx s GLN 161 N -0.04 2.05 -0.02 5.56 -0.21 -1.25 -1.20 119.66 124.54 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 -1.69 0.00 0.00 1.00 0.00 0.00 33.01 32.32 2rdx s GLN 161 CO 0.00 0.18 -0.08 -0.06 -2.12 0.00 0.00 175.29 173.21 2rdx s PHE 162 N 0.26 0.78 -0.27 0.91 0.40 -0.48 -1.59 117.98 118.00 2rdx s PHE 162 Ca -0.10 -0.18 -0.09 0.00 -0.60 0.00 0.00 56.93 55.97 2rdx s PHE 162 Cb -0.14 -0.55 -0.03 0.00 0.51 0.00 0.00 43.02 42.80 2rdx s PHE 162 CO 0.04 -0.07 0.12 -1.14 0.70 0.00 0.00 175.22 174.87 2rdx s GLN 163 N 0.12 3.70 -0.26 0.44 0.74 -0.85 -1.52 119.66 122.03 2rdx s GLN 163 Ca -0.02 -0.46 -0.21 0.00 0.05 0.00 0.00 55.36 54.72 2rdx s GLN 163 Cb -0.07 -3.46 -0.01 0.00 1.10 0.00 0.00 33.01 30.57 2rdx s GLN 163 CO 0.00 -0.22 0.68 0.42 -0.55 0.00 0.00 175.29 175.62 2rdx s ILE 164 N 1.66 4.94 -0.14 -2.34 1.01 0.59 -1.34 121.20 125.57 2rdx s ILE 164 Ca 0.06 1.20 -0.26 0.00 0.00 0.00 0.00 60.65 61.65 2rdx s ILE 164 Cb -0.16 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 2rdx s ILE 164 CO 0.06 -0.02 0.87 -0.54 0.00 0.00 0.00 174.94 175.31 2rdx s LYS 165 N 2.61 4.34 0.00 2.79 1.02 -1.09 -1.14 119.74 128.28 2rdx s LYS 165 Ca 0.28 1.11 0.00 0.00 0.02 0.00 0.00 55.97 57.39 2rdx s LYS 165 Cb -0.15 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.60 2rdx s LYS 165 CO 0.09 -0.29 0.00 1.33 -0.92 0.00 0.00 175.35 175.55 2rdx n VAL 166 N 4.60 0.00 0.00 3.17 0.24 -0.40 -4.58 118.33 121.36 2rdx n VAL 166 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 2rdx n VAL 166 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 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 1.18 0.70 0.10 7.63 0.00 -1.26 -3.91 105.19 109.63 2rdx n GLY 167 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.07 2.27 -3.15 4.61 0.00 -1.02 -3.87 120.51 118.28 2rdx n ALA 168 Ca 0.00 -0.42 0.04 0.00 0.00 0.00 0.00 53.44 53.07 2rdx n ALA 168 Cb 0.00 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 -5.46 -1.37 0.44 0.00 2.15 -1.26 -4.82 116.67 106.35 2rdx s ASP 169 Ca -0.02 0.16 0.27 0.00 0.43 0.00 0.00 52.55 53.38 2rdx s ASP 169 Cb 0.09 1.87 1.33 0.00 -0.30 0.00 0.00 42.92 45.91 2rdx s ASP 169 CO 0.81 -0.25 1.69 4.11 -0.17 0.00 0.00 175.17 181.36 2rdx h TRP 170 N 7.83 0.51 0.00 -5.34 5.08 -1.92 -0.62 115.95 121.50 2rdx h TRP 170 Ca -0.03 0.02 -0.15 0.00 1.08 0.00 0.00 58.89 59.81 2rdx h TRP 170 Cb 1.19 -0.14 0.01 0.00 -3.00 0.00 0.00 29.16 27.22 2rdx h TRP 170 CO 0.17 -0.08 -0.60 0.37 -1.28 0.00 0.00 178.44 177.02 2rdx h GLN 171 N 0.19 0.40 0.00 0.12 4.15 -1.97 -2.10 115.11 115.91 2rdx h GLN 171 Ca 0.72 -0.44 -0.11 0.00 0.77 0.00 0.00 58.65 59.59 2rdx h GLN 171 Cb 2.19 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 29.99 2rdx h GLN 171 CO -0.32 1.10 -0.53 0.66 -1.93 0.00 0.00 178.83 177.81 2rdx h SER 172 N -0.12 0.00 -0.44 -0.69 4.64 -1.94 -3.19 113.55 111.81 2rdx h SER 172 Ca -0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2rdx h SER 172 Cb 1.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 2rdx h SER 172 CO 0.12 0.53 0.27 0.44 -0.87 0.00 0.00 176.83 177.32 2rdx h ASP 173 N 0.00 0.52 -0.62 4.97 3.45 -0.99 -2.08 116.42 121.68 2rdx h ASP 173 Ca -0.01 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.41 2rdx h ASP 173 Cb 1.33 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 39.94 2rdx h ASP 173 CO 0.07 0.40 0.29 0.40 -1.57 0.00 0.00 179.24 178.83 2rdx h ILE 174 N 0.61 1.22 -0.32 0.35 2.04 -1.36 -2.00 117.51 118.05 2rdx h ILE 174 Ca 0.16 -0.61 -0.12 0.00 1.00 0.00 0.00 64.86 65.29 2rdx h ILE 174 Cb -0.03 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 2rdx h ILE 174 CO -0.03 0.25 -0.29 0.44 0.00 0.00 0.00 178.15 178.52 2rdx h ASP 175 N 0.84 0.67 1.27 1.72 3.32 -1.51 -1.81 116.42 120.92 2rdx h ASP 175 Ca 0.21 -0.26 -0.11 0.00 0.02 0.00 0.00 57.03 56.89 2rdx h ASP 175 Cb 0.12 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2rdx h ASP 175 CO -0.03 0.92 -0.77 0.08 -1.72 0.00 0.00 179.24 177.73 2rdx h ARG 176 N 0.56 0.00 0.14 3.56 0.11 -1.24 -1.96 114.38 115.55 2rdx h ARG 176 Ca 0.07 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.14 2rdx h ARG 176 Cb 0.77 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.86 2rdx h ARG 176 CO 0.06 0.39 -0.07 0.82 0.10 0.00 0.00 179.97 181.28 2rdx h ILE 177 N 0.00 0.98 0.00 0.08 2.04 -1.32 -2.55 117.51 116.74 2rdx h ILE 177 Ca -0.05 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 2rdx h ILE 177 Cb 1.40 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 2rdx h ILE 177 CO 0.05 0.12 -0.05 0.03 0.00 0.00 0.00 178.15 178.31 2rdx h ARG 178 N -0.42 0.00 0.00 2.37 3.08 -1.29 -2.26 114.38 115.86 2rdx h ARG 178 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2rdx h ARG 178 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2rdx h ARG 178 CO 0.03 0.05 -1.81 0.00 -1.07 0.00 0.00 179.97 177.16 2rdx n ALA 179 N -2.23 2.99 0.09 0.04 0.00 -0.74 -4.43 120.51 116.22 2rdx n ALA 179 Ca -0.02 -0.50 -0.23 0.00 0.00 0.00 0.00 53.44 52.68 2rdx n ALA 179 Cb 0.16 -0.78 -0.15 0.00 0.00 0.00 0.00 19.45 18.68 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 0.02 0.82 0.00 0.00 3.38 -1.63 -1.54 115.31 116.36 2rdx h LEU 181 Ca -0.29 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2rdx h LEU 181 Cb 2.04 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.63 2rdx h LEU 181 CO 0.20 0.54 0.00 -2.65 0.09 0.00 0.00 178.44 176.61 2rdx n PRO 182 N -4.62 0.51 0.02 1.13 -0.02 -1.26 -2.05 135.00 128.71 2rdx n PRO 182 Ca 0.11 0.03 0.12 0.00 -2.02 0.00 0.00 63.50 61.74 2rdx n PRO 182 Cb 0.16 -1.50 0.16 0.00 -0.02 0.00 0.00 33.50 32.30 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 -1.09 0.60 -4.81 2.45 4.32 -0.58 -4.92 117.00 112.96 2rdx n LEU 183 Ca 0.13 0.02 -0.32 0.00 -0.02 0.00 0.00 56.01 55.81 2rdx n LEU 183 Cb 0.09 -0.19 0.00 0.00 -1.62 0.00 0.00 43.42 41.71 2rdx n LEU 183 CO 0.12 0.08 0.71 -0.76 -1.22 0.00 0.00 177.39 176.32 2rdx s LEU 184 N -3.47 3.51 0.42 2.23 1.02 -0.87 -5.03 118.68 116.48 2rdx s LEU 184 Ca 0.08 1.74 0.07 0.00 0.02 0.00 0.00 54.13 56.04 2rdx s LEU 184 Cb 0.16 -4.52 0.01 0.00 0.02 0.00 0.00 46.19 41.85 2rdx s LEU 184 CO 0.74 -1.03 0.57 -1.61 0.02 0.00 0.00 176.35 175.04 2rdx s GLU 185 N -4.13 2.86 0.15 1.70 2.02 -1.26 -5.05 118.70 114.98 2rdx s GLU 185 Ca 0.62 -1.15 -0.21 0.00 0.02 0.00 0.00 54.97 54.25 2rdx s GLU 185 Cb -0.14 -2.74 0.04 0.00 0.10 0.00 0.00 34.13 31.38 2rdx s GLU 185 CO 0.37 -0.25 1.64 -1.00 0.02 0.00 0.00 175.26 176.04 2rdx h PRO 186 N 0.63 -0.17 -2.10 0.39 0.13 -2.00 -3.16 132.00 125.71 2rdx h PRO 186 Ca -0.41 0.01 -0.38 0.00 -0.87 0.00 0.00 66.00 64.35 2rdx h PRO 186 Cb 1.28 0.04 -0.11 0.00 0.13 0.00 0.00 31.00 32.33 2rdx h PRO 186 CO 0.47 -0.12 0.37 0.41 -0.23 0.00 0.00 178.00 178.91 2rdx n GLY 187 N -1.35 3.78 3.12 1.56 0.00 -1.26 -4.91 105.19 106.14 2rdx n GLY 187 Ca -0.00 -1.57 -0.08 0.00 0.00 0.00 0.00 46.02 44.37 2rdx n GLY 187 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rdx s GLU 188 N -0.21 0.66 0.08 1.61 2.02 -1.20 -4.93 118.70 116.73 2rdx s GLU 188 Ca 0.63 -1.10 0.07 0.00 0.02 0.00 0.00 54.97 54.59 2rdx s GLU 188 Cb 0.33 0.24 -0.03 0.00 0.10 0.00 0.00 34.13 34.77 2rdx s GLU 188 CO -0.10 -0.15 -0.19 0.15 0.02 0.00 0.00 175.26 174.98 2rdx s LYS 189 N -3.76 1.12 -0.05 1.61 1.02 -0.34 -4.95 119.74 114.39 2rdx s LYS 189 Ca 0.05 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 55.00 2rdx s LYS 189 Cb 0.06 -1.30 0.02 0.00 -0.52 0.00 0.00 37.83 36.10 2rdx s LYS 189 CO -0.10 0.31 -0.03 0.00 -0.92 0.00 0.00 175.35 174.61 2rdx s ALA 190 N -1.06 0.68 -0.12 5.17 0.00 -1.26 -1.39 121.76 123.77 2rdx s ALA 190 Ca 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.92 2rdx s ALA 190 Cb -0.10 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 2rdx s ALA 190 CO 0.03 -0.13 -0.06 0.00 0.00 0.00 0.00 175.76 175.60 2rdx s MET 191 N 1.17 3.34 -0.41 0.00 0.23 -0.57 -1.21 119.30 121.85 2rdx s MET 191 Ca -0.07 -0.56 -0.15 0.00 -1.03 0.00 0.00 55.69 53.88 2rdx s MET 191 Cb -0.14 -2.76 0.02 0.00 -1.53 0.00 0.00 34.83 30.42 2rdx s MET 191 CO -0.01 0.36 0.32 0.00 -2.03 0.00 0.00 175.02 173.66 2rdx s ALA 192 N 0.01 3.47 -0.34 3.16 0.00 -0.25 -0.30 121.76 127.51 2rdx s ALA 192 Ca -0.01 -1.67 -0.12 0.00 0.00 0.00 0.00 51.96 50.16 2rdx s ALA 192 Cb -0.14 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 2rdx s ALA 192 CO 0.03 -1.45 0.22 0.34 0.00 0.00 0.00 175.76 174.90 2rdx s ASP 193 N 1.70 5.94 0.08 0.00 -1.08 -0.29 -1.37 116.67 121.65 2rdx s ASP 193 Ca 0.06 -0.49 0.26 0.00 -0.52 0.00 0.00 52.55 51.86 2rdx s ASP 193 Cb -0.19 -2.10 0.72 0.00 -1.46 0.00 0.00 42.92 39.89 2rdx s ASP 193 CO 0.11 -0.24 1.60 0.00 0.52 0.00 0.00 175.17 177.16 2rdx n ALA 194 N 5.08 2.77 -3.86 3.66 0.00 -0.98 -1.28 120.51 125.89 2rdx n ALA 194 Ca -0.13 -0.18 -0.29 0.00 0.00 0.00 0.00 53.44 52.84 2rdx n ALA 194 Cb 0.49 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.64 2rdx n ALA 194 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2rdx n ASN 195 N -1.85 -2.34 -0.09 0.00 4.13 -1.21 -1.06 115.26 112.84 2rdx n ASN 195 Ca 0.05 -1.02 -0.01 0.00 1.68 0.00 0.00 54.58 55.28 2rdx n ASN 195 Cb 0.39 -3.11 -0.01 0.00 -1.54 0.00 0.00 39.78 35.51 2rdx n ASN 195 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2rdx n GLN 196 N -4.36 -0.97 0.08 3.52 6.02 -0.90 -4.46 117.38 116.31 2rdx n GLN 196 Ca -0.22 0.32 -0.06 0.00 -0.01 0.00 0.00 57.00 57.02 2rdx n GLN 196 Cb 0.65 -4.09 -0.06 0.00 1.02 0.00 0.00 30.24 27.75 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 0.03 -3.53 1.08 0.00 -1.10 -3.24 103.07 96.31 2rdx h GLY 197 Ca -0.02 -0.06 -0.51 0.00 0.00 0.00 0.00 47.33 46.73 2rdx h GLY 197 CO 0.04 0.06 0.10 -0.98 0.00 0.00 0.00 176.54 175.75 2rdx s TRP 198 N -2.90 3.60 0.32 5.60 0.51 -0.42 -4.69 118.94 120.97 2rdx s TRP 198 Ca 0.00 1.35 -0.27 0.00 -2.12 0.00 0.00 56.10 55.07 2rdx s TRP 198 Cb 0.10 -2.60 -0.10 0.00 -0.81 0.00 0.00 33.47 30.07 2rdx s TRP 198 CO 0.81 0.30 0.98 0.50 -0.51 0.00 0.00 176.95 179.03 2rdx s ARG 199 N -2.15 4.54 0.30 4.98 3.52 -1.26 -4.42 118.95 124.47 2rdx s ARG 199 Ca 0.45 1.45 0.07 0.00 -0.13 0.00 0.00 55.73 57.56 2rdx s ARG 199 Cb -0.16 -2.86 0.80 0.00 -1.56 0.00 0.00 34.95 31.17 2rdx s ARG 199 CO 0.20 0.22 1.73 -0.24 -0.81 0.00 0.00 175.30 176.40 2rdx h VAL 200 N 2.66 0.55 -0.15 7.11 3.04 -1.94 -0.34 116.25 127.18 2rdx h VAL 200 Ca -0.47 -0.19 -0.11 0.00 -1.01 0.00 0.00 66.70 64.92 2rdx h VAL 200 Cb 1.20 -0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 2rdx h VAL 200 CO 0.65 0.10 -0.38 -2.24 -1.01 0.00 0.00 177.57 174.69 2rdx h ASP 201 N 0.55 0.35 0.84 3.17 2.03 -1.98 -2.48 116.42 118.89 2rdx h ASP 201 Ca 0.60 -0.14 -0.23 0.00 -0.73 0.00 0.00 57.03 56.53 2rdx h ASP 201 Cb 1.10 -0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 39.48 2rdx h ASP 201 CO -0.47 0.70 -1.05 0.78 -1.03 0.00 0.00 179.24 178.17 2rdx h ASN 202 N 0.28 0.15 -0.05 4.15 2.35 -1.50 -2.36 115.58 118.60 2rdx h ASN 202 Ca 0.03 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.56 2rdx h ASN 202 Cb 0.80 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 2rdx h ASN 202 CO 0.06 1.09 -0.15 0.00 -1.65 0.00 0.00 177.43 176.79 2rdx h ALA 203 N 0.88 1.33 -0.15 -0.83 0.00 -1.15 -2.05 119.26 117.29 2rdx h ALA 203 Ca -0.05 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2rdx h ALA 203 Cb 1.78 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 2rdx h ALA 203 CO 0.15 0.45 -0.12 0.82 0.00 0.00 0.00 179.25 180.56 2rdx h ILE 204 N 0.36 1.34 -0.73 0.00 2.04 -1.38 -1.59 117.51 117.54 2rdx h ILE 204 Ca 0.07 -1.24 0.10 0.00 1.00 0.00 0.00 64.86 64.79 2rdx h ILE 204 Cb 0.48 1.82 -0.07 0.00 -0.74 0.00 0.00 36.82 38.31 2rdx h ILE 204 CO 0.03 0.36 0.37 0.03 0.00 0.00 0.00 178.15 178.94 2rdx h ARG 205 N -0.02 0.60 -0.42 2.37 3.08 -1.31 -0.49 114.38 118.19 2rdx h ARG 205 Ca 0.03 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2rdx h ARG 205 Cb 0.63 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 2rdx h ARG 205 CO 0.03 0.40 0.13 1.25 -1.07 0.00 0.00 179.97 180.71 2rdx h LEU 206 N 0.62 0.61 -1.20 3.04 6.46 -1.32 -1.31 115.31 122.20 2rdx h LEU 206 Ca 0.36 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 2rdx h LEU 206 Cb 0.39 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.13 2rdx h LEU 206 CO -0.28 0.65 0.37 0.00 -0.62 0.00 0.00 178.44 178.56 2rdx h ALA 207 N 0.98 1.39 0.01 1.25 0.00 -0.30 -1.96 119.26 120.63 2rdx h ALA 207 Ca 0.14 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 2rdx h ALA 207 Cb 0.26 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2rdx h ALA 207 CO -0.00 0.50 -0.92 0.00 0.00 0.00 0.00 179.25 178.82 2rdx h ARG 208 N 0.93 0.31 0.00 0.00 3.08 -0.99 -2.82 114.38 114.89 2rdx h ARG 208 Ca 0.24 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2rdx h ARG 208 Cb 0.02 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2rdx h ARG 208 CO -0.04 1.04 0.00 0.00 -1.07 0.00 0.00 179.97 179.90 2rdx n ALA 209 N -2.50 2.23 -1.46 0.04 0.00 -0.51 -3.40 120.51 114.91 2rdx n ALA 209 Ca -0.05 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.43 2rdx n ALA 209 Cb 0.83 -1.46 0.19 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.17 2.11 0.24 0.00 -2.24 -0.77 -4.82 114.28 106.63 2rdx n THR 210 Ca 0.05 -2.96 0.12 0.00 -2.27 0.00 0.00 64.05 58.99 2rdx n THR 210 Cb 0.40 -0.23 0.56 0.00 -2.10 0.00 0.00 70.33 68.96 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 0.73 0.00 -0.69 -0.78 0.11 -1.51 -2.81 114.38 109.42 2rdx h ARG 211 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2rdx h ARG 211 Cb 1.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.09 2rdx h ARG 211 CO 0.00 0.15 0.00 -0.25 0.10 0.00 0.00 179.97 179.97 2rdx n ASP 212 N -3.34 4.07 -4.34 0.08 8.00 -1.26 -4.92 116.55 114.84 2rdx n ASP 212 Ca -0.00 -2.56 -0.30 0.00 0.71 0.00 0.00 54.79 52.64 2rdx n ASP 212 Cb 0.37 -0.60 -0.15 0.00 -0.02 0.00 0.00 41.12 40.73 2rdx n ASP 212 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2rdx s LEU 213 N -1.78 2.18 -0.54 0.64 1.43 -1.06 -5.10 118.68 114.44 2rdx s LEU 213 Ca 0.37 -0.60 -0.17 0.00 -1.03 0.00 0.00 54.13 52.70 2rdx s LEU 213 Cb 0.27 -1.26 0.10 0.00 0.03 0.00 0.00 46.19 45.33 2rdx s LEU 213 CO 0.12 0.25 0.55 -0.62 0.23 0.00 0.00 176.35 176.88 2rdx s ASP 214 N -1.28 6.18 0.29 2.29 2.15 -1.26 -4.92 116.67 120.12 2rdx s ASP 214 Ca 0.12 -1.49 -0.12 0.00 0.43 0.00 0.00 52.55 51.49 2rdx s ASP 214 Cb -0.10 -2.24 0.01 0.00 -0.30 0.00 0.00 42.92 40.29 2rdx s ASP 214 CO 0.02 -0.89 0.55 -0.72 -0.17 0.00 0.00 175.17 173.96 2rdx s TYR 215 N 2.03 0.42 -0.21 -5.34 -0.85 -1.26 -4.81 117.35 107.33 2rdx s TYR 215 Ca 0.07 -0.81 -0.08 0.00 -0.52 0.00 0.00 57.07 55.73 2rdx s TYR 215 Cb -0.26 0.28 -0.04 0.00 0.38 0.00 0.00 41.96 42.32 2rdx s TYR 215 CO 0.06 -1.13 0.09 0.42 -1.52 0.00 0.00 175.55 173.47 2rdx s ILE 216 N -3.57 4.89 -0.48 -3.49 1.01 -0.35 -4.05 121.20 115.16 2rdx s ILE 216 Ca 0.22 0.01 -0.22 0.00 0.00 0.00 0.00 60.65 60.66 2rdx s ILE 216 Cb -0.02 -3.24 0.04 0.00 0.01 0.00 0.00 42.46 39.25 2rdx s ILE 216 CO 0.11 0.41 0.74 -0.22 0.00 0.00 0.00 174.94 175.99 2rdx s LEU 217 N 0.73 4.45 -0.23 2.97 2.96 -0.08 -1.09 118.68 128.39 2rdx s LEU 217 Ca 0.05 -0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 53.48 2rdx s LEU 217 Cb -0.13 -2.75 -0.03 0.00 0.50 0.00 0.00 46.19 43.78 2rdx s LEU 217 CO 0.02 -0.94 0.07 -0.70 -1.32 0.00 0.00 176.35 173.48 2rdx s GLU 218 N 3.15 3.74 -0.76 1.98 2.12 -0.47 -0.88 118.70 127.57 2rdx s GLU 218 Ca 0.25 -0.44 -0.13 0.00 0.36 0.00 0.00 54.97 55.00 2rdx s GLU 218 Cb -0.14 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 30.96 2rdx s GLU 218 CO 0.19 -0.08 0.48 0.94 -0.54 0.00 0.00 175.26 176.25 2rdx n GLN 219 N 4.59 -0.78 0.13 4.30 -0.06 0.33 -2.33 117.38 123.56 2rdx n GLN 219 Ca -0.16 0.22 0.03 0.00 -2.00 0.00 0.00 57.00 55.10 2rdx n GLN 219 Cb 0.52 -1.61 0.43 0.00 -4.06 0.00 0.00 30.24 25.52 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 -0.59 0.24 -5.10 3.69 0.13 -1.86 -2.38 132.00 126.12 2rdx h PRO 220 Ca -0.51 -0.04 -0.53 0.00 -0.87 0.00 0.00 66.00 64.05 2rdx h PRO 220 Cb 1.05 -0.04 -0.13 0.00 0.13 0.00 0.00 31.00 32.01 2rdx h PRO 220 CO 0.33 0.32 -0.55 0.00 -0.23 0.00 0.00 178.00 177.87 2rdx h ARG 222 N 1.90 -0.69 -6.95 0.00 2.43 -1.80 -3.38 114.38 105.89 2rdx h ARG 222 Ca -0.38 0.05 -0.49 0.00 -0.81 0.00 0.00 59.98 58.35 2rdx h ARG 222 Cb 1.26 0.16 0.02 0.00 -0.42 0.00 0.00 29.97 31.00 2rdx h ARG 222 CO 0.62 -0.46 0.15 -1.54 -1.51 0.00 0.00 179.97 177.23 2rdx s SER 223 N -4.71 6.38 0.23 -3.80 1.04 -1.26 -4.66 113.70 106.92 2rdx s SER 223 Ca -0.10 1.09 -0.08 0.00 0.48 0.00 0.00 55.95 57.34 2rdx s SER 223 Cb 0.01 -2.31 0.26 0.00 0.10 0.00 0.00 66.02 64.08 2rdx s SER 223 CO 0.31 -0.53 1.86 0.22 0.98 0.00 0.00 173.24 176.08 2rdx h TYR 224 N 0.64 0.93 -0.63 5.02 3.20 -1.93 -2.16 116.97 122.03 2rdx h TYR 224 Ca -0.47 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.38 2rdx h TYR 224 Cb 1.19 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 2rdx h TYR 224 CO 0.60 0.51 0.22 0.93 -1.64 0.00 0.00 178.16 178.78 2rdx h GLU 225 N 0.95 0.96 -0.80 1.82 3.07 -1.98 0.37 114.58 118.96 2rdx h GLU 225 Ca 0.33 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 2rdx h GLU 225 Cb 0.08 -0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 27.80 2rdx h GLU 225 CO -0.14 0.83 0.50 0.93 -1.40 0.00 0.00 179.01 179.74 2rdx h GLU 226 N 0.89 1.08 -0.19 2.33 5.08 -1.93 -0.55 114.58 121.28 2rdx h GLU 226 Ca 0.21 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 2rdx h GLU 226 Cb 0.25 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2rdx h GLU 226 CO -0.01 0.74 -0.39 0.00 -1.00 0.00 0.00 179.01 178.35 2rdx h GLN 228 N 0.36 0.49 -0.64 0.00 1.08 -0.71 -1.30 115.11 114.39 2rdx h GLN 228 Ca 0.03 -0.25 -0.03 0.00 -1.45 0.00 0.00 58.65 56.95 2rdx h GLN 228 Cb 0.85 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.26 2rdx h GLN 228 CO 0.07 0.83 0.26 0.37 -0.95 0.00 0.00 178.83 179.41 2rdx h GLN 229 N 0.41 0.94 -0.36 1.46 4.15 -0.81 -2.24 115.11 118.65 2rdx h GLN 229 Ca 0.03 -0.15 -0.13 0.00 0.77 0.00 0.00 58.65 59.17 2rdx h GLN 229 Cb 0.91 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 2rdx h GLN 229 CO 0.08 0.76 -0.30 0.28 -1.93 0.00 0.00 178.83 177.72 2rdx h VAL 230 N 0.92 1.28 0.00 2.39 2.07 -1.15 -3.13 116.25 118.64 2rdx h VAL 230 Ca 0.22 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 2rdx h VAL 230 Cb 0.17 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2rdx h VAL 230 CO -0.02 0.48 -0.10 -0.09 0.02 0.00 0.00 177.57 177.86 2rdx h ARG 231 N 0.67 0.00 -0.59 1.57 2.43 -0.80 0.60 114.38 118.26 2rdx h ARG 231 Ca 0.08 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.37 2rdx h ARG 231 Cb 0.84 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.36 2rdx h ARG 231 CO 0.07 0.10 0.40 -0.09 -1.51 0.00 0.00 179.97 178.95 2rdx h ARG 232 N 0.00 0.26 0.00 0.20 2.43 -1.35 -3.22 114.38 112.70 2rdx h ARG 232 Ca -0.00 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.94 2rdx h ARG 232 Cb 0.37 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 2rdx h ARG 232 CO 0.01 0.17 -1.82 0.28 -1.51 0.00 0.00 179.97 177.11 2rdx n VAL 233 N -4.45 0.82 -2.72 0.20 0.31 -0.85 -4.99 118.33 106.66 2rdx n VAL 233 Ca 0.10 -0.36 -0.43 0.00 -0.01 0.00 0.00 64.34 63.65 2rdx n VAL 233 Cb 0.47 -0.94 -0.03 0.00 -0.91 0.00 0.00 33.84 32.44 2rdx n VAL 233 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2rdx s ALA 234 N -2.29 3.62 -0.35 3.52 0.00 0.14 -4.93 121.76 121.48 2rdx s ALA 234 Ca -0.16 0.15 0.23 0.00 0.00 0.00 0.00 51.96 52.18 2rdx s ALA 234 Cb 0.05 -3.46 0.09 0.00 0.00 0.00 0.00 23.12 19.79 2rdx s ALA 234 CO 0.37 -0.92 1.12 -0.44 0.00 0.00 0.00 175.76 175.89 2rdx h ASP 235 N 7.42 0.00 -3.56 0.00 5.19 -1.90 -3.43 116.42 120.14 2rdx h ASP 235 Ca -0.23 -0.07 -0.56 0.00 -0.62 0.00 0.00 57.03 55.55 2rdx h ASP 235 Cb 1.09 0.00 0.13 0.00 0.18 0.00 0.00 39.33 40.73 2rdx h ASP 235 CO 0.93 0.03 0.46 0.00 -3.12 0.00 0.00 179.24 177.54 2rdx n GLN 236 N -2.53 1.80 -1.68 3.56 3.00 -1.26 -4.88 117.38 115.39 2rdx n GLN 236 Ca 0.01 0.65 -0.46 0.00 -0.01 0.00 0.00 57.00 57.19 2rdx n GLN 236 Cb 0.52 -2.36 -0.04 0.00 0.00 0.00 0.00 30.24 28.35 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 -0.12 2.27 -3.69 -1.09 -0.02 -1.26 -4.71 135.00 126.38 2rdx n PRO 237 Ca 0.08 0.82 -0.37 0.00 -2.02 0.00 0.00 63.50 62.01 2rdx n PRO 237 Cb 0.41 -2.63 -0.06 0.00 -0.02 0.00 0.00 33.50 31.20 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 1.82 3.73 -0.18 -0.52 1.75 -1.26 -0.90 119.30 123.74 2rdx s MET 238 Ca 0.82 0.11 -0.01 0.00 -1.25 0.00 0.00 55.69 55.35 2rdx s MET 238 Cb -0.65 -3.23 -0.00 0.00 2.84 0.00 0.00 34.83 33.79 2rdx s MET 238 CO 0.40 0.68 -0.12 0.21 -0.65 0.00 0.00 175.02 175.54 2rdx s LYS 239 N -0.86 3.26 -0.13 4.11 2.20 -0.06 -0.05 119.74 128.21 2rdx s LYS 239 Ca 0.18 -0.71 -0.08 0.00 -0.36 0.00 0.00 55.97 55.01 2rdx s LYS 239 Cb -0.14 -2.75 -0.04 0.00 -1.51 0.00 0.00 37.83 33.38 2rdx s LYS 239 CO 0.08 -0.07 0.15 -0.51 -0.36 0.00 0.00 175.35 174.64 2rdx s LEU 240 N 1.05 4.35 0.00 5.43 1.43 -0.60 -0.51 118.68 129.83 2rdx s LEU 240 Ca -0.00 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 2rdx s LEU 240 Cb -0.15 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 43.97 2rdx s LEU 240 CO -0.03 0.35 0.00 -0.67 0.23 0.00 0.00 176.35 176.23 2rdx n ASP 241 N 2.36 0.00 0.26 2.29 -0.08 -1.26 -0.36 116.55 119.76 2rdx n ASP 241 Ca -0.19 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.24 2rdx n ASP 241 Cb 0.54 0.00 0.69 0.00 2.34 0.00 0.00 41.12 44.69 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 -1.60 114.58 113.44 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 0.09 0.00 0.00 -1.40 0.00 0.00 179.01 177.70 2rdx n VAL 244 N -2.12 3.01 0.62 0.00 0.31 -0.60 -4.72 118.33 114.83 2rdx n VAL 244 Ca 0.06 -3.07 0.12 0.00 -0.01 0.00 0.00 64.34 61.44 2rdx n VAL 244 Cb 0.40 -2.30 0.22 0.00 -0.91 0.00 0.00 33.84 31.25 2rdx n VAL 244 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2rdx n THR 245 N 6.79 0.35 -3.56 2.52 -2.24 -1.26 -4.64 114.28 112.24 2rdx n THR 245 Ca 0.48 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 2rdx n THR 245 Cb 0.45 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.54 0.26 3.38 0.00 -1.26 -4.33 105.19 104.05 2rdx n GLY 246 Ca 0.04 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 2rdx n GLY 246 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2rdx h LEU 247 N 0.00 0.76 -0.79 0.99 5.85 -1.94 -1.37 115.31 118.82 2rdx h LEU 247 Ca 0.00 -0.28 -0.12 0.00 0.84 0.00 0.00 57.88 58.32 2rdx h LEU 247 Cb 0.00 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2rdx h LEU 247 CO 0.00 0.98 -0.34 0.45 -0.34 0.00 0.00 178.44 179.19 2rdx h HIS 248 N 0.65 0.60 -0.20 1.25 3.86 -1.99 0.29 115.15 119.62 2rdx h HIS 248 Ca 0.09 -0.15 -0.15 0.00 -1.16 0.00 0.00 60.37 58.99 2rdx h HIS 248 Cb 0.75 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.09 2rdx h HIS 248 CO 0.04 0.79 -0.48 1.98 0.86 0.00 0.00 177.93 181.13 2rdx h MET 249 N 0.44 0.67 -0.98 2.45 1.85 -1.90 -2.58 114.93 114.89 2rdx h MET 249 Ca 0.05 -0.46 0.14 0.00 -0.61 0.00 0.00 59.70 58.82 2rdx h MET 249 Cb 0.80 0.07 -0.09 0.00 0.43 0.00 0.00 31.60 32.82 2rdx h MET 249 CO 0.07 1.08 0.62 0.00 -0.40 0.00 0.00 176.91 178.27 2rdx h ALA 250 N 0.59 1.63 -0.48 0.39 0.00 -0.86 0.35 119.26 120.87 2rdx h ALA 250 Ca -0.00 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2rdx h ALA 250 Cb 1.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2rdx h ALA 250 CO 0.10 0.10 0.04 1.96 0.00 0.00 0.00 179.25 181.46 2rdx h GLN 251 N 0.88 0.81 -0.42 0.00 4.20 -0.33 -1.87 115.11 118.38 2rdx h GLN 251 Ca 0.50 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.96 2rdx h GLN 251 Cb 0.63 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 2rdx h GLN 251 CO -0.27 0.84 0.18 0.00 -0.67 0.00 0.00 178.83 178.91 2rdx h ARG 252 N 0.67 0.62 -0.59 1.46 3.08 -0.91 -0.24 114.38 118.47 2rdx h ARG 252 Ca 0.14 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2rdx h ARG 252 Cb 0.44 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 2rdx h ARG 252 CO 0.02 0.55 0.29 0.82 -1.07 0.00 0.00 179.97 180.58 2rdx h ILE 253 N 0.53 1.21 -0.22 2.04 2.04 -0.90 -0.16 117.51 122.05 2rdx h ILE 253 Ca 0.14 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 2rdx h ILE 253 Cb 0.16 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2rdx h ILE 253 CO -0.01 0.24 -0.04 0.58 0.00 0.00 0.00 178.15 178.92 2rdx h VAL 254 N 0.81 1.28 -0.65 1.67 2.07 -1.28 0.30 116.25 120.44 2rdx h VAL 254 Ca 0.20 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.76 2rdx h VAL 254 Cb 0.11 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 2rdx h VAL 254 CO -0.03 0.31 0.39 0.00 0.02 0.00 0.00 177.57 178.26 2rdx h ALA 255 N 0.77 0.86 0.00 1.67 0.00 -0.90 -1.90 119.26 119.75 2rdx h ALA 255 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2rdx h ALA 255 Cb 0.48 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2rdx h ALA 255 CO 0.02 0.13 0.00 -0.25 0.00 0.00 0.00 179.25 179.15 2rdx n ASP 256 N -4.72 0.00 -4.16 0.00 8.00 -0.08 -4.92 116.55 110.66 2rdx n ASP 256 Ca 0.07 0.20 -0.32 0.00 0.71 0.00 0.00 54.79 55.45 2rdx n ASP 256 Cb 0.11 -0.40 -0.05 0.00 -0.02 0.00 0.00 41.12 40.76 2rdx n ASP 256 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2rdx n ARG 257 N -1.40 -1.40 -0.14 -1.24 5.12 -0.18 -4.87 116.66 112.54 2rdx n ARG 257 Ca 0.10 0.18 0.11 0.00 -1.93 0.00 0.00 57.85 56.31 2rdx n ARG 257 Cb 0.28 -3.65 0.28 0.00 -1.16 0.00 0.00 32.46 28.21 2rdx n ARG 257 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2rdx n GLY 258 N -2.32 1.04 3.33 -0.13 0.00 0.87 -4.89 105.19 103.10 2rdx n GLY 258 Ca -0.28 -0.58 -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 -1.62 -1.04 -0.13 4.61 0.00 -1.26 -4.95 121.76 117.37 2rdx s ALA 259 Ca 0.35 0.12 0.18 0.00 0.00 0.00 0.00 51.96 52.61 2rdx s ALA 259 Cb 0.20 0.62 -0.24 0.00 0.00 0.00 0.00 23.12 23.71 2rdx s ALA 259 CO 0.28 -0.61 0.40 0.39 0.00 0.00 0.00 175.76 176.22 2rdx n GLU 260 N -0.06 0.66 -4.43 0.00 4.71 0.93 -4.91 120.64 117.53 2rdx n GLU 260 Ca -0.17 0.05 -0.20 0.00 -0.01 0.00 0.00 57.16 56.84 2rdx n GLU 260 Cb 0.63 -1.63 -0.15 0.00 -1.01 0.00 0.00 31.44 29.28 2rdx n GLU 260 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2rdx s ILE 261 N -2.79 0.80 -0.18 -3.67 1.01 -0.50 -4.14 121.20 111.74 2rdx s ILE 261 Ca -0.07 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.14 2rdx s ILE 261 Cb 0.08 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.88 2rdx s ILE 261 CO 0.84 0.23 -0.13 0.00 0.00 0.00 0.00 174.94 175.88 2rdx s LEU 264 N 1.18 5.31 -0.33 0.00 1.43 0.58 -4.68 118.68 122.15 2rdx s LEU 264 Ca 0.27 -2.31 -0.18 0.00 -1.03 0.00 0.00 54.13 50.89 2rdx s LEU 264 Cb -0.16 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 2rdx s LEU 264 CO 0.11 -0.50 0.50 -0.54 0.23 0.00 0.00 176.35 176.15 2rdx s LYS 265 N 0.74 3.69 0.26 1.70 1.02 -1.26 -0.78 119.74 125.11 2rdx s LYS 265 Ca 0.11 -0.11 -0.05 0.00 0.02 0.00 0.00 55.97 55.95 2rdx s LYS 265 Cb -0.22 -3.78 0.51 0.00 -0.52 0.00 0.00 37.83 33.81 2rdx s LYS 265 CO -0.04 -0.58 1.64 0.82 -0.92 0.00 0.00 175.35 176.27 2rdx h ILE 266 N 5.57 0.35 0.00 2.17 2.04 -1.47 -0.91 117.51 125.27 2rdx h ILE 266 Ca -0.28 -0.05 -0.14 0.00 1.00 0.00 0.00 64.86 65.39 2rdx h ILE 266 Cb 1.13 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2rdx h ILE 266 CO 0.75 0.03 -0.67 0.77 0.00 0.00 0.00 178.15 179.03 2rdx h SER 267 N 0.15 0.00 0.64 1.72 4.64 -1.88 0.20 113.55 119.01 2rdx h SER 267 Ca 0.45 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.70 2rdx h SER 267 Cb 0.82 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 2rdx h SER 267 CO -0.65 0.67 -0.34 -1.13 -0.87 0.00 0.00 176.83 174.51 2rdx h ASN 268 N 0.00 0.00 0.84 4.97 -1.24 -1.59 -2.45 115.58 116.12 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 1.50 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.55 2rdx h ASN 268 CO 0.09 0.34 -0.42 0.18 -1.29 0.00 0.00 177.43 176.32 2rdx n LEU 269 N -3.69 0.55 0.00 0.34 4.77 -0.49 -4.62 117.00 113.86 2rdx n LEU 269 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2rdx n LEU 269 Cb 0.44 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2rdx n LEU 269 CO 0.36 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2rdx n GLY 270 N 1.41 1.43 0.00 -0.72 0.00 -0.56 -4.47 105.19 102.28 2rdx n GLY 270 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.43 2.71 0.37 -0.02 0.00 0.58 -4.19 105.19 103.20 2rdx n GLY 271 Ca 0.00 -2.00 0.08 0.00 0.00 0.00 0.00 46.02 44.10 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 0.87 0.28 0.99 5.85 -1.83 0.54 115.31 122.01 2rdx h LEU 272 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2rdx h LEU 272 Cb 0.00 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2rdx h LEU 272 CO 0.00 0.47 -0.32 0.28 -0.34 0.00 0.00 178.44 178.54 2rdx h SER 273 N 0.94 -0.86 0.67 1.25 0.02 -1.92 0.14 113.55 113.79 2rdx h SER 273 Ca 0.48 0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 61.37 2rdx h SER 273 Cb 0.50 0.30 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 2rdx h SER 273 CO -0.24 -0.44 -0.64 0.11 -1.14 0.00 0.00 176.83 174.48 2rdx h LYS 274 N -0.64 0.00 -0.47 3.45 1.57 -1.77 -2.80 116.57 115.91 2rdx h LYS 274 Ca -0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2rdx h LYS 274 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 2rdx h LYS 274 CO -0.08 0.64 0.08 0.00 -0.57 0.00 0.00 179.45 179.52 2rdx h ALA 275 N 1.36 0.62 -0.56 3.86 0.00 -0.71 -1.88 119.26 121.96 2rdx h ALA 275 Ca -0.01 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.70 2rdx h ALA 275 Cb 1.15 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2rdx h ALA 275 CO 0.08 0.34 0.33 -0.09 0.00 0.00 0.00 179.25 179.92 2rdx h ARG 276 N 0.64 0.64 -0.10 0.00 2.43 -0.66 -0.03 114.38 117.30 2rdx h ARG 276 Ca 0.14 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.11 2rdx h ARG 276 Cb 0.38 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2rdx h ARG 276 CO 0.01 0.42 -0.65 0.00 -1.51 0.00 0.00 179.97 178.25 2rdx h ARG 277 N 0.66 0.38 -0.17 0.20 3.08 -1.41 -0.36 114.38 116.76 2rdx h ARG 277 Ca 0.22 -0.28 -0.19 0.00 0.07 0.00 0.00 59.98 59.81 2rdx h ARG 277 Cb 0.03 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2rdx h ARG 277 CO -0.10 0.90 -0.66 1.15 -1.07 0.00 0.00 179.97 180.19 2rdx h THR 278 N 0.28 1.31 -0.02 2.04 2.02 -1.23 -2.21 112.91 115.10 2rdx h THR 278 Ca -0.01 -1.92 -0.00 0.00 0.77 0.00 0.00 66.41 65.25 2rdx h THR 278 Cb 1.19 1.89 -0.00 0.00 -1.74 0.00 0.00 68.15 69.49 2rdx h THR 278 CO 0.11 0.60 0.01 -0.09 0.37 0.00 0.00 175.52 176.52 2rdx h ARG 279 N 0.47 0.03 -0.47 6.66 1.12 -0.84 -1.95 114.38 119.40 2rdx h ARG 279 Ca -0.02 -0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.80 2rdx h ARG 279 Cb 1.25 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 31.18 2rdx h ARG 279 CO 0.13 0.06 0.10 -0.44 -3.11 0.00 0.00 179.97 176.71 2rdx h ASP 280 N -0.01 0.66 -0.20 -3.80 5.19 -1.08 -1.83 116.42 115.35 2rdx h ASP 280 Ca 0.01 -0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.29 2rdx h ASP 280 Cb 0.04 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 2rdx h ASP 280 CO -0.00 0.66 0.06 0.15 -3.12 0.00 0.00 179.24 176.99 2rdx h PHE 281 N 0.69 0.33 -0.53 4.55 3.57 -1.29 -2.03 116.94 122.23 2rdx h PHE 281 Ca 0.15 -0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.49 2rdx h PHE 281 Cb 0.28 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2rdx h PHE 281 CO 0.01 0.42 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.30 2rdx h LEU 282 N 0.15 1.05 -0.55 0.59 3.38 -1.13 -2.60 115.31 116.19 2rdx h LEU 282 Ca 0.06 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 2rdx h LEU 282 Cb 0.25 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2rdx h LEU 282 CO -0.00 1.17 0.09 0.40 0.09 0.00 0.00 178.44 180.19 2rdx h ILE 283 N 0.91 1.25 0.00 1.22 2.04 -1.38 -0.16 117.51 121.39 2rdx h ILE 283 Ca 0.13 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 2rdx h ILE 283 Cb 0.73 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 2rdx h ILE 283 CO 0.06 0.35 -0.00 0.44 0.00 0.00 0.00 178.15 178.99 2rdx h ASP 284 N 0.80 0.00 -0.58 1.72 3.32 -1.30 0.79 116.42 121.17 2rdx h ASP 284 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2rdx h ASP 284 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2rdx h ASP 284 CO 0.01 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.12 2rdx n ASN 285 N -3.11 4.10 -3.79 6.45 3.02 -0.86 -4.98 115.26 116.09 2rdx n ASN 285 Ca -0.02 -2.27 -0.27 0.00 -0.03 0.00 0.00 54.58 51.99 2rdx n ASN 285 Cb 0.14 -0.48 0.05 0.00 -0.61 0.00 0.00 39.78 38.87 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 -6.41 -3.62 3.52 1.74 0.27 -4.99 116.66 108.20 2rdx n ARG 286 Ca 0.22 0.69 -0.37 0.00 -0.77 0.00 0.00 57.85 57.62 2rdx n ARG 286 Cb 0.72 -5.63 -0.10 0.00 -1.02 0.00 0.00 32.46 26.43 2rdx n ARG 286 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 2rdx s MET 287 N -6.47 4.02 0.52 5.56 1.75 -0.18 -5.01 119.30 119.50 2rdx s MET 287 Ca 0.60 -0.28 -0.23 0.00 -1.25 0.00 0.00 55.69 54.54 2rdx s MET 287 Cb -0.29 -3.60 -0.06 0.00 2.84 0.00 0.00 34.83 33.73 2rdx s MET 287 CO 0.79 -0.06 1.36 -2.30 -0.65 0.00 0.00 175.02 174.16 2rdx n PRO 288 N 4.66 1.80 -4.13 4.11 -0.02 -1.26 -4.17 135.00 136.00 2rdx n PRO 288 Ca -0.14 0.66 -0.14 0.00 -2.02 0.00 0.00 63.50 61.86 2rdx n PRO 288 Cb 0.52 -2.56 -0.11 0.00 -0.02 0.00 0.00 33.50 31.33 2rdx n PRO 288 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2rdx s VAL 289 N -1.27 0.76 -0.14 -1.45 -7.23 0.44 -1.61 120.40 109.90 2rdx s VAL 289 Ca 0.69 -1.39 -0.02 0.00 -1.81 0.00 0.00 61.98 59.44 2rdx s VAL 289 Cb -0.43 -1.04 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 2rdx s VAL 289 CO 0.51 -0.48 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.07 2rdx s VAL 290 N -1.99 3.66 -0.28 1.32 1.01 -0.88 -0.49 120.40 122.76 2rdx s VAL 290 Ca -0.01 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 2rdx s VAL 290 Cb -0.06 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 2rdx s VAL 290 CO -0.00 0.51 0.13 0.00 0.00 0.00 0.00 175.10 175.74 2rdx s ALA 291 N 0.21 3.31 0.21 5.51 0.00 -1.04 -0.31 121.76 129.64 2rdx s ALA 291 Ca -0.04 -1.20 -0.05 0.00 0.00 0.00 0.00 51.96 50.67 2rdx s ALA 291 Cb -0.14 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 20.70 2rdx s ALA 291 CO 0.03 -0.64 0.36 -1.91 0.00 0.00 0.00 175.76 173.61 2rdx n GLU 292 N 4.98 0.52 -3.99 0.00 2.13 0.04 -4.29 120.64 120.04 2rdx n GLU 292 Ca -0.15 -1.34 -0.15 0.00 0.66 0.00 0.00 57.16 56.18 2rdx n GLU 292 Cb 0.51 1.50 -0.04 0.00 0.27 0.00 0.00 31.44 33.68 2rdx n GLU 292 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2rdx n ASP 293 N -1.52 -1.25 0.06 4.31 -0.08 -1.26 -1.14 116.55 115.66 2rdx n ASP 293 Ca -0.03 -2.92 -0.13 0.00 -1.51 0.00 0.00 54.79 50.21 2rdx n ASP 293 Cb 0.32 2.39 -0.09 0.00 2.34 0.00 0.00 41.12 46.09 2rdx n ASP 293 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2rdx h SER 294 N 1.97 -0.13 -5.71 1.67 4.64 -1.91 -3.47 113.55 110.62 2rdx h SER 294 Ca -0.26 -0.29 0.30 0.00 -0.47 0.00 0.00 61.79 61.07 2rdx h SER 294 Cb 1.18 0.03 -0.10 0.00 -0.31 0.00 0.00 62.40 63.20 2rdx h SER 294 CO 0.36 0.23 0.78 0.86 -0.87 0.00 0.00 176.83 178.19 2rdx s TRP 295 N -4.75 -0.04 0.00 4.77 -0.11 -1.16 -4.44 118.94 113.21 2rdx s TRP 295 Ca -0.15 -0.11 0.00 0.00 1.22 0.00 0.00 56.10 57.07 2rdx s TRP 295 Cb 0.03 0.57 0.00 0.00 -1.50 0.00 0.00 33.47 32.56 2rdx s TRP 295 CO 0.62 -0.38 0.00 0.41 -4.62 0.00 0.00 176.95 172.99 2rdx n GLY 296 N -0.55 1.54 0.00 5.86 0.00 -1.26 -4.18 105.19 106.60 2rdx n GLY 296 Ca -0.07 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.94 1.37 0.27 -0.02 0.00 -1.26 -2.72 105.19 100.88 2rdx n GLY 297 Ca 0.00 -1.74 -0.02 0.00 0.00 0.00 0.00 46.02 44.27 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 0.56 -0.29 1.61 3.07 -1.88 -1.68 114.58 115.97 2rdx h GLU 298 Ca 0.00 -0.14 -0.08 0.00 -0.50 0.00 0.00 59.36 58.63 2rdx h GLU 298 Cb 0.00 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 2rdx h GLU 298 CO 0.00 0.63 -0.15 0.82 -1.40 0.00 0.00 179.01 178.91 2rdx h ILE 299 N 0.52 1.30 -0.37 3.13 2.04 -1.89 0.32 117.51 122.56 2rdx h ILE 299 Ca 0.10 -1.24 -0.10 0.00 1.00 0.00 0.00 64.86 64.62 2rdx h ILE 299 Cb 0.43 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 2rdx h ILE 299 CO 0.02 0.40 -0.19 0.00 0.00 0.00 0.00 178.15 178.38 2rdx h ALA 300 N 0.75 0.97 0.00 1.87 0.00 -1.81 -3.10 119.26 117.94 2rdx h ALA 300 Ca 0.06 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 2rdx h ALA 300 Cb 0.67 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2rdx h ALA 300 CO 0.04 0.60 -0.53 0.77 0.00 0.00 0.00 179.25 180.14 2rdx h SER 301 N 0.63 0.00 -0.16 0.00 0.02 -1.11 -2.79 113.55 110.14 2rdx h SER 301 Ca 0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2rdx h SER 301 Cb 0.66 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 2rdx h SER 301 CO 0.05 0.53 0.04 0.00 -1.14 0.00 0.00 176.83 176.31 2rdx h ALA 302 N 1.47 0.21 -0.52 3.77 0.00 -0.86 -1.59 119.26 121.74 2rdx h ALA 302 Ca -0.01 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.81 2rdx h ALA 302 Cb 1.07 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2rdx h ALA 302 CO 0.07 -0.16 0.26 0.00 0.00 0.00 0.00 179.25 179.42 2rdx h ALA 303 N 0.85 0.67 -0.46 0.00 0.00 -1.50 -2.51 119.26 116.31 2rdx h ALA 303 Ca 0.05 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2rdx h ALA 303 Cb 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2rdx h ALA 303 CO -0.00 -0.08 0.30 0.28 0.00 0.00 0.00 179.25 179.75 2rdx h VAL 304 N 0.51 1.11 -0.56 0.00 2.07 -1.42 -0.98 116.25 116.98 2rdx h VAL 304 Ca 0.23 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2rdx h VAL 304 Cb 0.15 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2rdx h VAL 304 CO -0.17 0.11 0.30 0.00 0.02 0.00 0.00 177.57 177.84 2rdx h ALA 305 N 1.18 0.72 -0.20 1.67 0.00 -1.03 0.19 119.26 121.77 2rdx h ALA 305 Ca 0.17 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2rdx h ALA 305 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2rdx h ALA 305 CO -0.04 0.24 -0.35 0.45 0.00 0.00 0.00 179.25 179.54 2rdx h HIS 306 N 0.75 0.51 0.04 0.00 3.86 -1.35 -0.06 115.15 118.90 2rdx h HIS 306 Ca 0.20 -0.13 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2rdx h HIS 306 Cb 0.05 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.41 2rdx h HIS 306 CO -0.01 0.74 -0.02 0.35 0.86 0.00 0.00 177.93 179.85 2rdx h PHE 307 N 0.37 -0.05 -0.70 2.45 3.57 -0.44 -2.52 116.94 119.62 2rdx h PHE 307 Ca 0.04 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2rdx h PHE 307 Cb 0.80 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 2rdx h PHE 307 CO 0.02 0.03 0.32 0.00 -2.23 0.00 0.00 178.31 176.45 2rdx h ALA 308 N 0.85 1.24 0.00 2.41 0.00 -0.55 -3.04 119.26 120.16 2rdx h ALA 308 Ca -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2rdx h ALA 308 Cb 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2rdx h ALA 308 CO 0.01 0.57 -0.19 0.00 0.00 0.00 0.00 179.25 179.65 2rdx h ALA 309 N 1.35 1.03 -0.65 0.00 0.00 -0.90 -2.84 119.26 117.25 2rdx h ALA 309 Ca 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2rdx h ALA 309 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2rdx h ALA 309 CO -0.03 0.23 0.00 -1.13 0.00 0.00 0.00 179.25 178.32 2rdx n SER 310 N -3.35 3.83 -4.77 0.00 3.41 -0.96 -0.49 113.62 111.29 2rdx n SER 310 Ca 0.00 -2.00 -0.37 0.00 -0.26 0.00 0.00 58.87 56.24 2rdx n SER 310 Cb 0.40 -0.43 -0.07 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.13 5.24 0.11 6.66 2.01 -1.07 -4.73 115.64 122.73 2rdx s THR 311 Ca 0.47 0.64 -0.33 0.00 0.31 0.00 0.00 61.69 62.77 2rdx s THR 311 Cb 0.25 -3.65 -0.13 0.00 0.01 0.00 0.00 72.50 68.98 2rdx s THR 311 CO 0.33 0.45 1.68 -2.65 -0.69 0.00 0.00 174.62 173.74 2rdx n PRO 312 N 3.01 2.30 0.28 4.92 -0.02 -1.26 -3.62 135.00 140.61 2rdx n PRO 312 Ca -0.13 0.83 0.14 0.00 -2.02 0.00 0.00 63.50 62.33 2rdx n PRO 312 Cb 0.52 -2.64 0.82 0.00 -0.02 0.00 0.00 33.50 32.18 2rdx n PRO 312 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2rdx h GLU 313 N 6.99 0.00 0.00 -0.52 4.11 -1.84 -1.39 114.58 121.93 2rdx h GLU 313 Ca -0.46 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.94 2rdx h GLU 313 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 2rdx h GLU 313 CO 0.91 0.07 -0.15 1.49 0.07 0.00 0.00 179.01 181.40 2rdx h GLU 314 N 0.00 0.00 -0.03 1.06 4.81 -1.90 -3.17 114.58 115.35 2rdx h GLU 314 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2rdx h GLU 314 Cb 0.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2rdx h GLU 314 CO 0.01 0.15 0.00 1.19 -0.73 0.00 0.00 179.01 179.63 2rdx n PHE 315 N -3.87 0.03 -3.24 0.92 3.72 -0.58 -4.94 117.46 109.49 2rdx n PHE 315 Ca -0.02 -0.07 -0.43 0.00 -0.05 0.00 0.00 57.45 56.88 2rdx n PHE 315 Cb 0.25 -0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 38.70 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 -0.55 4.72 -0.03 4.37 2.96 -0.86 -0.42 118.68 128.88 2rdx s LEU 316 Ca 0.07 -0.53 -0.19 0.00 -0.22 0.00 0.00 54.13 53.26 2rdx s LEU 316 Cb 0.05 -2.51 -0.12 0.00 0.50 0.00 0.00 46.19 44.11 2rdx s LEU 316 CO 0.07 -0.65 0.82 0.40 -1.32 0.00 0.00 176.35 175.68 2rdx h ILE 317 N 5.78 0.24 -2.84 6.68 1.08 -1.10 -3.46 117.51 123.88 2rdx h ILE 317 Ca -0.26 -0.64 -0.01 0.00 -0.39 0.00 0.00 64.86 63.55 2rdx h ILE 317 Cb 1.11 0.38 0.01 0.00 -3.07 0.00 0.00 36.82 35.24 2rdx h ILE 317 CO 0.83 0.05 0.27 -0.46 -0.69 0.00 0.00 178.15 178.15 2rdx n ASN 318 N -5.14 -1.99 -1.09 1.72 0.23 -1.26 -4.69 115.26 103.04 2rdx n ASN 318 Ca -0.08 -2.35 -0.01 0.00 -0.53 0.00 0.00 54.58 51.61 2rdx n ASN 318 Cb 0.26 3.30 -0.00 0.00 -2.08 0.00 0.00 39.78 41.26 2rdx n ASN 318 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2rdx n SER 319 N -1.45 -0.06 -3.64 0.53 2.88 -0.48 -2.51 113.62 108.89 2rdx n SER 319 Ca -0.07 -1.08 -0.12 0.00 -1.33 0.00 0.00 58.87 56.26 2rdx n SER 319 Cb 0.52 0.11 -0.06 0.00 -0.75 0.00 0.00 64.21 64.04 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 -2.45 0.05 -1.22 2.46 -1.32 -1.26 -3.37 115.64 108.53 2rdx s THR 320 Ca 0.01 -0.45 -0.11 0.00 -1.21 0.00 0.00 61.69 59.94 2rdx s THR 320 Cb -0.00 -1.01 0.19 0.00 -1.51 0.00 0.00 72.50 70.17 2rdx s THR 320 CO 0.01 -0.25 1.57 -0.90 -2.21 0.00 0.00 174.62 172.85 2rdx n ASP 321 N 0.28 5.30 -0.28 8.08 5.75 -1.26 -4.88 116.55 129.54 2rdx n ASP 321 Ca -0.18 -3.07 0.09 0.00 -0.01 0.00 0.00 54.79 51.63 2rdx n ASP 321 Cb 0.61 -1.50 0.33 0.00 -1.03 0.00 0.00 41.12 39.54 2rdx n ASP 321 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2rdx h LEU 322 N 8.43 0.74 -2.75 -2.12 3.38 -1.91 -2.06 115.31 119.01 2rdx h LEU 322 Ca 0.32 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 2rdx h LEU 322 Cb 0.76 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2rdx h LEU 322 CO 1.37 0.40 -0.00 0.00 0.09 0.00 0.00 178.44 180.30 2rdx h MET 323 N 0.80 0.00 -0.00 1.13 -0.00 -1.66 -1.96 114.93 113.23 2rdx h MET 323 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.13 2rdx h MET 323 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.15 2rdx h MET 323 CO -0.20 0.00 -0.30 0.09 -0.00 0.00 0.00 176.91 176.51 2rdx n ASN 324 N -3.33 0.38 -0.00 -0.10 3.02 -0.78 -3.57 115.26 110.88 2rdx n ASN 324 Ca -0.03 -0.10 0.14 0.00 -0.03 0.00 0.00 54.58 54.56 2rdx n ASN 324 Cb 0.09 -0.01 0.62 0.00 -0.61 0.00 0.00 39.78 39.87 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 -1.39 0.00 -4.32 3.10 4.02 -0.74 -4.89 117.16 112.94 2rdx n TYR 325 Ca 0.07 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.70 2rdx n TYR 325 Cb 0.33 -0.45 -0.10 0.00 -0.02 0.00 0.00 39.34 39.10 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 -2.94 4.10 0.20 7.72 0.01 -1.23 -1.83 114.94 120.98 2rdx s ASN 326 Ca 0.16 -0.64 0.24 0.00 -0.71 0.00 0.00 52.86 51.91 2rdx s ASN 326 Cb 0.19 -0.63 0.32 0.00 0.41 0.00 0.00 41.25 41.54 2rdx s ASN 326 CO 0.53 0.10 1.36 0.71 -1.51 0.00 0.00 177.10 178.29 2rdx h THR 327 N 2.80 0.00 -2.31 1.60 1.35 -1.70 -3.45 112.91 111.20 2rdx h THR 327 Ca -0.46 -0.70 -0.56 0.00 -0.55 0.00 0.00 66.41 64.14 2rdx h THR 327 Cb 1.21 1.38 -0.14 0.00 -1.73 0.00 0.00 68.15 68.87 2rdx h THR 327 CO 0.53 0.00 -0.69 -0.13 -0.25 0.00 0.00 175.52 174.99 2rdx s ARG 328 N -3.22 1.67 0.20 4.72 0.52 -1.26 -5.01 118.95 116.56 2rdx s ARG 328 Ca 0.05 -1.84 0.08 0.00 -0.52 0.00 0.00 55.73 53.50 2rdx s ARG 328 Cb 0.11 -1.45 -0.04 0.00 0.52 0.00 0.00 34.95 34.09 2rdx s ARG 328 CO 0.71 0.11 0.02 -1.12 0.02 0.00 0.00 175.30 175.05 2rdx s SER 329 N -3.52 4.81 -0.06 0.23 0.01 -1.26 -4.89 113.70 109.03 2rdx s SER 329 Ca 0.31 -0.42 0.09 0.00 1.31 0.00 0.00 55.95 57.23 2rdx s SER 329 Cb 0.02 -1.03 -0.13 0.00 0.21 0.00 0.00 66.02 65.10 2rdx s SER 329 CO 0.14 0.06 0.10 0.35 0.41 0.00 0.00 173.24 174.31 2rdx n THR 330 N -0.34 0.37 -4.11 1.44 -2.24 -1.26 -4.72 114.28 103.42 2rdx n THR 330 Ca -0.09 -0.32 -0.08 0.00 -2.27 0.00 0.00 64.05 61.29 2rdx n THR 330 Cb 0.56 -0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 68.35 2rdx n THR 330 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2rdx s GLY 331 N -3.70 0.60 -0.34 3.38 0.00 -1.26 -0.94 107.32 105.05 2rdx s GLY 331 Ca -0.04 -1.27 -0.13 0.00 0.00 0.00 0.00 44.72 43.27 2rdx s GLY 331 CO 0.38 -1.35 0.26 1.08 0.00 0.00 0.00 173.10 173.47 2rdx s LEU 332 N -2.96 4.48 0.00 0.66 2.01 0.18 -4.65 118.68 118.40 2rdx s LEU 332 Ca 0.10 -0.37 0.00 0.00 0.01 0.00 0.00 54.13 53.88 2rdx s LEU 332 Cb 0.07 -2.17 0.00 0.00 0.01 0.00 0.00 46.19 44.10 2rdx s LEU 332 CO -0.07 -0.24 0.00 0.61 1.01 0.00 0.00 176.35 177.65 2rdx n GLY 333 N 5.08 0.36 4.07 -3.19 0.00 -1.26 -1.61 105.19 108.63 2rdx n GLY 333 Ca -0.12 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.01 3.80 -0.02 0.00 -0.85 -4.92 105.19 101.19 2rdx n GLY 334 Ca 0.00 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.06 1.80 0.26 1.61 0.04 -1.26 -4.73 135.00 132.66 2rdx s PRO 335 Ca 0.00 0.54 0.12 0.00 0.04 0.00 0.00 61.00 61.70 2rdx s PRO 335 Cb 0.00 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 2rdx s PRO 335 CO 0.00 -1.80 -0.21 0.95 0.04 0.00 0.00 177.00 175.99 2rdx s THR 336 N -3.19 2.42 0.07 1.26 -4.23 -0.75 -4.99 115.64 106.23 2rdx s THR 336 Ca 0.62 -2.32 0.10 0.00 -1.18 0.00 0.00 61.69 58.91 2rdx s THR 336 Cb -0.15 -2.25 -0.03 0.00 1.34 0.00 0.00 72.50 71.41 2rdx s THR 336 CO 0.54 -0.34 -0.26 0.68 -0.54 0.00 0.00 174.62 174.69 2rdx s VAL 337 N -2.33 2.19 -0.16 2.29 -7.23 -1.26 -0.73 120.40 113.16 2rdx s VAL 337 Ca 0.28 -1.50 -0.06 0.00 -1.81 0.00 0.00 61.98 58.88 2rdx s VAL 337 Cb -0.06 -1.89 0.07 0.00 0.56 0.00 0.00 36.38 35.07 2rdx s VAL 337 CO 0.14 0.28 0.35 -2.28 -0.31 0.00 0.00 175.10 173.27 2rdx s HIS 338 N -0.89 -0.61 -1.46 2.82 5.04 -0.87 -4.96 115.29 114.36 2rdx s HIS 338 Ca 0.12 1.25 -0.04 0.00 -1.54 0.00 0.00 55.06 54.86 2rdx s HIS 338 Cb -0.10 0.16 0.03 0.00 0.04 0.00 0.00 32.58 32.71 2rdx s HIS 338 CO 0.03 -0.40 0.51 1.04 -2.34 0.00 0.00 174.74 173.58 2rdx n GLN 339 N 5.17 -3.43 -1.05 2.88 6.02 -1.26 -2.08 117.38 123.63 2rdx n GLN 339 Ca -0.10 0.41 -0.02 0.00 -0.01 0.00 0.00 57.00 57.28 2rdx n GLN 339 Cb 0.50 -4.69 -0.01 0.00 1.02 0.00 0.00 30.24 27.07 2rdx n GLN 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2rdx n GLY 340 N -1.86 0.53 3.19 1.08 0.00 -1.22 -4.65 105.19 102.26 2rdx n GLY 340 Ca -0.23 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.38 1.24 -0.25 1.61 0.52 -0.88 -0.35 118.95 119.45 2rdx s ARG 341 Ca 0.00 -0.81 -0.14 0.00 -0.52 0.00 0.00 55.73 54.26 2rdx s ARG 341 Cb 0.00 -1.28 -0.04 0.00 0.52 0.00 0.00 34.95 34.15 2rdx s ARG 341 CO 0.00 0.33 0.35 -1.17 0.02 0.00 0.00 175.30 174.83 2rdx s LEU 342 N -0.99 4.07 -0.20 2.53 2.96 0.67 -2.06 118.68 125.65 2rdx s LEU 342 Ca 0.05 0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 54.22 2rdx s LEU 342 Cb -0.08 -2.39 -0.02 0.00 0.50 0.00 0.00 46.19 44.20 2rdx s LEU 342 CO 0.01 -0.13 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.58 2rdx s TYR 343 N 1.81 3.01 0.70 5.38 2.02 0.09 -1.91 117.35 128.45 2rdx s TYR 343 Ca 0.15 -0.56 -0.13 0.00 -0.37 0.00 0.00 57.07 56.16 2rdx s TYR 343 Cb -0.15 -2.08 0.02 0.00 -0.40 0.00 0.00 41.96 39.35 2rdx s TYR 343 CO 0.09 -0.30 1.09 0.00 -1.57 0.00 0.00 175.55 174.86 2rdx s ALA 344 N 1.06 2.44 0.58 3.71 0.00 -1.26 -1.81 121.76 126.48 2rdx s ALA 344 Ca 0.02 0.37 -0.17 0.00 0.00 0.00 0.00 51.96 52.18 2rdx s ALA 344 Cb -0.14 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 2rdx s ALA 344 CO 0.01 -1.40 1.07 -1.54 0.00 0.00 0.00 175.76 173.90 2rdx s SER 345 N -3.06 5.76 0.00 0.00 1.04 -1.26 -4.88 113.70 111.30 2rdx s SER 345 Ca 0.63 1.91 0.12 0.00 0.48 0.00 0.00 55.95 59.09 2rdx s SER 345 Cb -0.18 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.43 2rdx s SER 345 CO 0.48 -1.19 0.78 0.47 0.98 0.00 0.00 173.24 174.76 2rdx n ASP 346 N -1.82 1.62 -4.80 7.02 8.00 -1.26 -4.84 116.55 120.48 2rdx n ASP 346 Ca 0.09 -1.31 -0.32 0.00 0.71 0.00 0.00 54.79 53.97 2rdx n ASP 346 Cb 0.52 0.27 0.05 0.00 -0.02 0.00 0.00 41.12 41.95 2rdx n ASP 346 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2rdx s THR 347 N -1.30 3.71 0.42 -3.53 -4.23 -1.26 -4.33 115.64 105.11 2rdx s THR 347 Ca 0.12 0.62 -0.26 0.00 -1.18 0.00 0.00 61.69 60.99 2rdx s THR 347 Cb 0.10 -3.23 -0.10 0.00 1.34 0.00 0.00 72.50 70.61 2rdx s THR 347 CO 0.23 -0.66 1.40 -2.65 -0.54 0.00 0.00 174.62 172.40 2rdx n PRO 348 N -2.96 2.28 0.00 3.99 -0.02 -1.26 -3.54 135.00 133.48 2rdx n PRO 348 Ca 0.08 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 2rdx n PRO 348 Cb 0.53 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2rdx n PRO 348 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rdx n GLY 349 N 0.62 -1.17 0.07 -1.23 0.00 -0.47 -4.01 105.19 99.00 2rdx n GLY 349 Ca 0.04 -1.30 0.11 0.00 0.00 0.00 0.00 46.02 44.87 2rdx n GLY 349 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rdx n LEU 350 N 0.00 0.39 -0.89 0.99 4.77 -1.26 -2.49 117.00 118.50 2rdx n LEU 350 Ca 0.00 0.57 -0.08 0.00 -0.03 0.00 0.00 56.01 56.47 2rdx n LEU 350 Cb 0.00 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.59 2rdx n LEU 350 CO 0.00 -0.30 -0.10 0.61 -1.33 0.00 0.00 177.39 176.27 2rdx n GLY 351 N 0.51 0.22 3.04 -0.72 0.00 -1.26 -4.78 105.19 102.21 2rdx n GLY 351 Ca 0.04 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.40 -0.01 0.19 1.61 0.11 -1.26 -2.00 120.40 116.65 2rdx s VAL 352 Ca 0.00 0.02 0.10 0.00 -2.93 0.00 0.00 61.98 59.17 2rdx s VAL 352 Cb 0.00 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.55 2rdx s VAL 352 CO 0.00 0.01 -0.16 0.42 -3.33 0.00 0.00 175.10 172.03 2rdx s THR 353 N 0.22 2.79 0.20 5.04 -4.23 -0.63 -4.83 115.64 114.19 2rdx s THR 353 Ca -0.01 -1.85 -0.31 0.00 -1.18 0.00 0.00 61.69 58.34 2rdx s THR 353 Cb -0.02 -2.36 -0.09 0.00 1.34 0.00 0.00 72.50 71.36 2rdx s THR 353 CO -0.01 -0.12 1.44 -2.84 -0.54 0.00 0.00 174.62 172.55 2rdx s PRO 354 N -2.78 4.28 -1.25 3.99 0.02 -1.26 0.52 135.00 138.52 2rdx s PRO 354 Ca 0.23 2.24 -0.19 0.00 0.02 0.00 0.00 61.00 63.30 2rdx s PRO 354 Cb -0.08 -3.16 0.07 0.00 0.02 0.00 0.00 34.50 31.35 2rdx s PRO 354 CO 0.13 -0.44 1.68 0.34 -0.33 0.00 0.00 177.00 178.38 2rdx s ASP 355 N 0.68 6.79 0.47 2.53 -1.08 -0.12 -4.62 116.67 121.32 2rdx s ASP 355 Ca 0.62 -2.29 0.15 0.00 -0.52 0.00 0.00 52.55 50.51 2rdx s ASP 355 Cb -0.41 -2.57 1.10 0.00 -1.46 0.00 0.00 42.92 39.58 2rdx s ASP 355 CO 0.37 -1.22 2.05 -0.26 0.52 0.00 0.00 175.17 176.63 2rdx h PHE 356 N 7.94 0.00 -0.56 -5.34 0.04 -1.91 -1.32 116.94 115.79 2rdx h PHE 356 Ca 0.40 -0.00 -0.09 0.00 2.80 0.00 0.00 57.97 61.08 2rdx h PHE 356 Cb 0.89 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.02 2rdx h PHE 356 CO 1.40 0.12 -0.02 -0.97 -0.60 0.00 0.00 178.31 178.23 2rdx h ASN 357 N 0.00 0.98 -0.31 2.17 -1.24 -1.90 -1.58 115.58 113.70 2rdx h ASN 357 Ca -0.00 -0.31 -0.16 0.00 0.71 0.00 0.00 56.30 56.53 2rdx h ASN 357 Cb 0.20 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 38.98 2rdx h ASN 357 CO 0.01 1.06 -0.44 0.28 -1.29 0.00 0.00 177.43 177.05 2rdx h SER 358 N 0.88 0.93 0.74 1.15 0.02 -1.60 -3.32 113.55 112.35 2rdx h SER 358 Ca 0.16 -0.51 -0.17 0.00 -0.84 0.00 0.00 61.79 60.43 2rdx h SER 358 Cb 0.57 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 2rdx h SER 358 CO 0.03 1.25 -0.80 -0.07 -1.14 0.00 0.00 176.83 176.11 2rdx h LEU 359 N 0.63 0.05 0.00 5.07 3.38 -1.34 -3.47 115.31 119.63 2rdx h LEU 359 Ca 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2rdx h LEU 359 Cb 1.05 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2rdx h LEU 359 CO 0.10 0.82 0.00 0.61 0.09 0.00 0.00 178.44 180.07 2rdx n GLY 360 N 0.74 -1.16 3.77 0.83 0.00 -0.60 -4.53 105.19 104.24 2rdx n GLY 360 Ca -0.01 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.14 3.47 0.32 4.61 0.00 -1.26 -4.90 121.76 122.86 2rdx s ALA 361 Ca 0.00 1.30 -0.29 0.00 0.00 0.00 0.00 51.96 52.97 2rdx s ALA 361 Cb 0.00 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.52 2rdx s ALA 361 CO 0.00 -0.72 1.32 -1.25 0.00 0.00 0.00 175.76 175.10 2rdx s PRO 362 N -1.91 4.35 0.42 0.00 0.04 -1.26 -4.78 135.00 131.86 2rdx s PRO 362 Ca 0.51 2.22 0.26 0.00 0.04 0.00 0.00 61.00 64.03 2rdx s PRO 362 Cb -0.40 -3.08 0.75 0.00 0.04 0.00 0.00 34.50 31.81 2rdx s PRO 362 CO 0.54 -0.21 1.75 -0.39 0.04 0.00 0.00 177.00 178.72 2rdx h VAL 363 N 3.09 0.00 -2.76 -0.36 -1.51 -1.50 -3.46 116.25 109.76 2rdx h VAL 363 Ca -0.49 -0.72 -0.11 0.00 -1.23 0.00 0.00 66.70 64.15 2rdx h VAL 363 Cb 1.23 1.70 -0.22 0.00 -2.13 0.00 0.00 31.29 31.87 2rdx h VAL 363 CO 0.67 0.00 -0.19 0.00 -1.23 0.00 0.00 177.57 176.82 2rdx s ALA 364 N -3.33 -1.03 -0.21 5.19 0.00 -1.17 -5.01 121.76 116.20 2rdx s ALA 364 Ca 0.06 0.84 -0.04 0.00 0.00 0.00 0.00 51.96 52.81 2rdx s ALA 364 Cb 0.08 -0.28 0.11 0.00 0.00 0.00 0.00 23.12 23.03 2rdx s ALA 364 CO 0.60 -0.25 0.36 0.34 0.00 0.00 0.00 175.76 176.81 2rdx s ASP 365 N -0.63 0.20 -0.01 0.00 3.68 -1.26 -1.34 116.67 117.32 2rdx s ASP 365 Ca -0.07 0.45 0.07 0.00 2.13 0.00 0.00 52.55 55.13 2rdx s ASP 365 Cb -0.04 1.07 -0.02 0.00 -1.45 0.00 0.00 42.92 42.48 2rdx s ASP 365 CO 0.03 -0.27 -0.23 0.26 0.13 0.00 0.00 175.17 175.09 2rdx s TRP 366 N 2.53 2.43 0.25 -5.34 0.51 -0.03 -5.02 118.94 114.28 2rdx s TRP 366 Ca 0.07 -0.35 -0.07 0.00 -2.12 0.00 0.00 56.10 53.63 2rdx s TRP 366 Cb -0.14 -1.51 -0.02 0.00 -0.81 0.00 0.00 33.47 31.00 2rdx s TRP 366 CO -0.14 0.07 0.36 0.00 -0.51 0.00 0.00 176.95 176.73 2rdx s ALA 367 N -0.70 0.45 0.00 0.98 0.00 -1.26 -0.59 121.76 120.63 2rdx s ALA 367 Ca 0.11 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.78 2rdx s ALA 367 Cb -0.10 1.20 0.00 0.00 0.00 0.00 0.00 23.12 24.22 2rdx s ALA 367 CO 0.01 -0.75 0.00 -0.11 0.00 0.00 0.00 175.76 174.90