#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rdx s LEU 1 N 0.00 -0.45 -0.01 2.46 2.96 -1.26 -5.02 118.68 117.37 2rdx s LEU 1 Ca 0.00 0.65 0.01 0.00 -0.22 0.00 0.00 54.13 54.57 2rdx s LEU 1 Cb 0.00 2.36 0.00 0.00 0.50 0.00 0.00 46.19 49.05 2rdx s LEU 1 CO 0.00 -0.58 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.29 2rdx s ARG 2 N -1.17 0.32 -0.02 1.98 0.52 -1.26 -3.81 118.95 115.51 2rdx s ARG 2 Ca -0.11 -0.11 -0.30 0.00 -0.52 0.00 0.00 55.73 54.69 2rdx s ARG 2 Cb -0.01 -0.33 -0.05 0.00 0.52 0.00 0.00 34.95 35.08 2rdx s ARG 2 CO 0.09 0.05 1.40 0.42 0.02 0.00 0.00 175.30 177.28 2rdx s ILE 3 N 0.07 3.76 -0.06 1.52 1.01 0.08 -2.27 121.20 125.32 2rdx s ILE 3 Ca -0.00 1.11 0.11 0.00 0.00 0.00 0.00 60.65 61.87 2rdx s ILE 3 Cb -0.03 -3.72 -0.17 0.00 0.01 0.00 0.00 42.46 38.55 2rdx s ILE 3 CO -0.00 -0.02 0.17 0.35 0.00 0.00 0.00 174.94 175.44 2rdx n THR 4 N 4.78 0.33 -3.70 2.92 -2.24 -0.14 -0.18 114.28 116.06 2rdx n THR 4 Ca 0.13 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.43 2rdx n THR 4 Cb 0.44 -0.18 -0.09 0.00 -2.10 0.00 0.00 70.33 68.40 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 -2.60 0.54 -0.09 -0.78 3.52 -1.14 -0.39 118.95 118.00 2rdx s ARG 5 Ca -0.05 0.76 0.02 0.00 -0.13 0.00 0.00 55.73 56.33 2rdx s ARG 5 Cb 0.06 0.19 0.01 0.00 -1.56 0.00 0.00 34.95 33.65 2rdx s ARG 5 CO 0.49 -0.10 -0.15 0.42 -0.81 0.00 0.00 175.30 175.15 2rdx s ILE 6 N 0.67 1.40 -0.02 4.11 1.01 0.26 -0.30 121.20 128.34 2rdx s ILE 6 Ca -0.03 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.07 2rdx s ILE 6 Cb -0.05 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 2rdx s ILE 6 CO -0.05 0.42 -0.20 -0.13 0.00 0.00 0.00 174.94 174.99 2rdx s ARG 7 N 0.85 1.65 -0.16 2.79 0.52 0.01 -0.21 118.95 124.39 2rdx s ARG 7 Ca -0.10 -0.71 -0.04 0.00 -0.52 0.00 0.00 55.73 54.36 2rdx s ARG 7 Cb -0.15 -1.57 -0.03 0.00 0.52 0.00 0.00 34.95 33.72 2rdx s ARG 7 CO 0.01 0.41 -0.03 -1.17 0.02 0.00 0.00 175.30 174.54 2rdx s LEU 8 N -0.42 3.24 0.15 2.53 2.96 -0.32 -1.02 118.68 125.80 2rdx s LEU 8 Ca 0.07 -0.15 0.10 0.00 -0.22 0.00 0.00 54.13 53.93 2rdx s LEU 8 Cb -0.08 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 2rdx s LEU 8 CO -0.00 0.15 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.68 2rdx s TYR 9 N 0.48 2.47 -0.03 5.38 2.02 0.42 -0.20 117.35 127.89 2rdx s TYR 9 Ca -0.03 -0.29 0.01 0.00 -0.37 0.00 0.00 57.07 56.39 2rdx s TYR 9 Cb -0.14 -1.27 0.02 0.00 -0.40 0.00 0.00 41.96 40.17 2rdx s TYR 9 CO 0.03 0.44 -0.04 0.15 -1.57 0.00 0.00 175.55 174.56 2rdx s LYS 10 N -2.43 0.67 0.04 -0.62 1.02 -1.26 -1.30 119.74 115.86 2rdx s LYS 10 Ca 0.20 -0.09 -0.08 0.00 0.02 0.00 0.00 55.97 56.01 2rdx s LYS 10 Cb -0.09 -0.70 -0.00 0.00 -0.52 0.00 0.00 37.83 36.51 2rdx s LYS 10 CO 0.11 -0.05 0.16 -0.08 -0.92 0.00 0.00 175.35 174.57 2rdx s THR 11 N 0.73 0.11 -0.08 2.17 -1.32 -0.99 -4.85 115.64 111.41 2rdx s THR 11 Ca -0.09 -0.95 -0.24 0.00 -1.21 0.00 0.00 61.69 59.20 2rdx s THR 11 Cb -0.12 -0.87 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 2rdx s THR 11 CO -0.00 -0.52 0.74 -1.81 -2.21 0.00 0.00 174.62 170.82 2rdx s ASP 12 N -2.05 7.00 -0.60 8.08 1.01 -1.26 -0.41 116.67 128.45 2rdx s ASP 12 Ca -0.06 1.21 -0.00 0.00 0.71 0.00 0.00 52.55 54.41 2rdx s ASP 12 Cb -0.02 -2.43 0.15 0.00 1.01 0.00 0.00 42.92 41.64 2rdx s ASP 12 CO -0.04 -0.17 0.38 -0.76 0.21 0.00 0.00 175.17 174.79 2rdx s LEU 13 N 1.05 4.89 0.44 1.23 1.43 0.86 -4.82 118.68 123.75 2rdx s LEU 13 Ca 0.39 -2.96 -0.25 0.00 -1.03 0.00 0.00 54.13 50.28 2rdx s LEU 13 Cb -0.18 -1.77 -0.08 0.00 0.03 0.00 0.00 46.19 44.19 2rdx s LEU 13 CO 0.18 -0.31 1.32 -2.84 0.23 0.00 0.00 176.35 174.93 2rdx s PRO 14 N -0.22 3.78 0.20 1.29 0.02 -1.26 -1.82 135.00 137.00 2rdx s PRO 14 Ca 0.17 2.17 -0.30 0.00 0.02 0.00 0.00 61.00 63.06 2rdx s PRO 14 Cb -0.22 -2.63 -0.09 0.00 0.02 0.00 0.00 34.50 31.58 2rdx s PRO 14 CO -0.02 -0.65 1.31 -0.47 -0.33 0.00 0.00 177.00 176.83 2rdx s TYR 15 N -1.29 3.25 0.47 6.54 5.04 0.41 -1.70 117.35 130.07 2rdx s TYR 15 Ca 0.60 1.22 0.14 0.00 -2.44 0.00 0.00 57.07 56.60 2rdx s TYR 15 Cb -0.38 -3.60 1.10 0.00 0.35 0.00 0.00 41.96 39.42 2rdx s TYR 15 CO 0.48 -1.88 2.06 -0.24 -1.34 0.00 0.00 175.55 174.64 2rdx h VAL 16 N 3.73 0.98 -0.95 3.14 3.04 -1.39 -3.02 116.25 121.78 2rdx h VAL 16 Ca -0.45 -0.09 -0.61 0.00 -1.01 0.00 0.00 66.70 64.54 2rdx h VAL 16 Cb 1.21 0.68 -0.38 0.00 -2.01 0.00 0.00 31.29 30.80 2rdx h VAL 16 CO 0.77 0.05 -0.18 0.47 -1.01 0.00 0.00 177.57 177.67 2rdx n ASP 17 N -4.48 5.93 0.00 3.17 8.00 -1.26 -5.01 116.55 122.90 2rdx n ASP 17 Ca 0.03 -3.76 0.00 0.00 0.71 0.00 0.00 54.79 51.77 2rdx n ASP 17 Cb 0.21 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 2rdx n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rdx n GLY 18 N -0.75 1.77 3.55 0.44 0.00 -1.14 -4.77 105.19 104.28 2rdx n GLY 18 Ca 0.50 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 46.28 2rdx n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rdx s SER 19 N -4.00 4.39 -0.46 1.61 0.15 -1.26 -4.41 113.70 109.72 2rdx s SER 19 Ca 0.00 -0.15 0.02 0.00 0.70 0.00 0.00 55.95 56.52 2rdx s SER 19 Cb 0.00 -1.00 0.12 0.00 -1.71 0.00 0.00 66.02 63.44 2rdx s SER 19 CO 0.00 0.32 0.21 -0.47 1.20 0.00 0.00 173.24 174.50 2rdx s TYR 20 N -0.87 3.47 -0.23 3.44 6.04 -0.92 -4.95 117.35 123.32 2rdx s TYR 20 Ca 0.14 -2.95 -0.29 0.00 0.04 0.00 0.00 57.07 54.01 2rdx s TYR 20 Cb -0.11 -2.97 -0.00 0.00 -1.04 0.00 0.00 41.96 37.84 2rdx s TYR 20 CO 0.04 -0.86 1.25 0.20 -1.54 0.00 0.00 175.55 174.64 2rdx s GLY 21 N 0.55 1.54 0.02 8.97 0.00 -1.26 -2.69 107.32 114.44 2rdx s GLY 21 Ca 0.14 0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.13 2rdx s GLY 21 CO -0.04 2.50 -0.03 0.66 0.00 0.00 0.00 173.10 176.19 2rdx s TRP 22 N 3.85 0.25 0.00 1.90 1.48 -0.77 -4.91 118.94 120.74 2rdx s TRP 22 Ca 0.54 -0.46 0.00 0.00 -1.06 0.00 0.00 56.10 55.12 2rdx s TRP 22 Cb -0.19 -0.18 0.00 0.00 -1.16 0.00 0.00 33.47 31.94 2rdx s TRP 22 CO 0.17 -0.16 0.00 0.41 -4.06 0.00 0.00 176.95 173.31 2rdx n GLY 23 N 1.78 0.58 2.53 3.67 0.00 -1.25 -2.13 105.19 110.36 2rdx n GLY 23 Ca -0.22 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 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 5.72 6.61 -0.77 4.61 0.00 -1.21 -2.80 120.51 132.68 2rdx n ALA 24 Ca 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 53.44 49.22 2rdx n ALA 24 Cb 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 16.82 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 1.28 0.90 3.57 0.00 0.00 -1.26 -4.99 105.19 104.70 2rdx n GLY 25 Ca 0.58 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.21 4.27 -0.14 1.61 0.01 -0.91 -5.04 114.94 112.53 2rdx s ASN 26 Ca 0.00 -0.55 -0.07 0.00 -0.71 0.00 0.00 52.86 51.53 2rdx s ASN 26 Cb 0.00 -0.73 0.06 0.00 0.41 0.00 0.00 41.25 40.98 2rdx s ASN 26 CO 0.00 0.11 0.33 0.00 -1.51 0.00 0.00 177.10 176.03 2rdx s ALA 27 N -1.64 -0.82 -0.23 0.60 0.00 -1.26 -1.84 121.76 116.57 2rdx s ALA 27 Ca 0.24 1.26 -0.05 0.00 0.00 0.00 0.00 51.96 53.41 2rdx s ALA 27 Cb -0.09 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 2rdx s ALA 27 CO 0.15 -0.34 -0.00 -1.50 0.00 0.00 0.00 175.76 174.07 2rdx s ILE 28 N 1.60 3.68 -0.21 0.00 -1.16 -1.10 -4.88 121.20 119.13 2rdx s ILE 28 Ca -0.07 -0.42 -0.03 0.00 -0.51 0.00 0.00 60.65 59.62 2rdx s ILE 28 Cb -0.10 -2.71 -0.12 0.00 0.61 0.00 0.00 42.46 40.14 2rdx s ILE 28 CO -0.11 0.37 -0.22 0.41 -2.81 0.00 0.00 174.94 172.58 2rdx n THR 29 N 4.84 1.21 -4.30 4.00 -1.04 -1.26 -2.18 114.28 115.55 2rdx n THR 29 Ca -0.17 -0.40 -0.23 0.00 -2.04 0.00 0.00 64.05 61.21 2rdx n THR 29 Cb 0.51 -1.45 -0.17 0.00 -1.82 0.00 0.00 70.33 67.40 2rdx n THR 29 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2rdx s VAL 30 N -2.41 0.83 -0.06 12.58 1.01 -1.26 -0.44 120.40 130.64 2rdx s VAL 30 Ca -0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 2rdx s VAL 30 Cb 0.09 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 2rdx s VAL 30 CO 0.45 0.29 0.04 0.00 0.00 0.00 0.00 175.10 175.88 2rdx s ALA 31 N 0.93 3.44 -0.40 5.51 0.00 -0.75 -4.92 121.76 125.56 2rdx s ALA 31 Ca -0.10 -0.82 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 2rdx s ALA 31 Cb -0.15 -1.55 0.02 0.00 0.00 0.00 0.00 23.12 21.44 2rdx s ALA 31 CO 0.01 0.62 0.27 0.50 0.00 0.00 0.00 175.76 177.16 2rdx s ARG 32 N -1.19 2.95 0.21 0.00 3.00 -1.26 -0.10 118.95 122.56 2rdx s ARG 32 Ca 0.17 -1.02 -0.19 0.00 -1.00 0.00 0.00 55.73 53.69 2rdx s ARG 32 Cb -0.12 -3.89 -0.08 0.00 0.00 0.00 0.00 34.95 30.86 2rdx s ARG 32 CO 0.06 -0.72 0.69 0.00 0.00 0.00 0.00 175.30 175.33 2rdx s ALA 33 N 1.64 3.45 -0.18 6.12 0.00 0.46 -4.47 121.76 128.77 2rdx s ALA 33 Ca 0.04 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.12 2rdx s ALA 33 Cb -0.19 -2.77 0.03 0.00 0.00 0.00 0.00 23.12 20.19 2rdx s ALA 33 CO 0.09 0.35 -0.15 -1.12 0.00 0.00 0.00 175.76 174.93 2rdx s SER 34 N -1.65 3.18 -0.13 0.00 0.01 -0.55 -2.35 113.70 112.21 2rdx s SER 34 Ca 0.42 -0.72 -0.00 0.00 1.31 0.00 0.00 55.95 56.96 2rdx s SER 34 Cb -0.16 -1.35 -0.01 0.00 0.21 0.00 0.00 66.02 64.71 2rdx s SER 34 CO 0.21 -0.06 -0.14 -0.69 0.41 0.00 0.00 173.24 172.97 2rdx s VAL 35 N 1.35 2.96 -0.17 3.43 1.01 -0.42 -1.50 120.40 127.07 2rdx s VAL 35 Ca 0.02 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 2rdx s VAL 35 Cb -0.14 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 2rdx s VAL 35 CO -0.11 0.52 0.04 -0.69 0.00 0.00 0.00 175.10 174.87 2rdx s VAL 36 N 0.45 4.61 -0.16 2.92 1.01 -0.30 -0.44 120.40 128.49 2rdx s VAL 36 Ca -0.10 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2rdx s VAL 36 Cb -0.16 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.18 2rdx s VAL 36 CO 0.05 0.49 -0.21 -0.69 0.00 0.00 0.00 175.10 174.73 2rdx s VAL 37 N 0.20 2.06 -0.18 2.92 1.01 -0.19 -0.98 120.40 125.25 2rdx s VAL 37 Ca 0.03 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 2rdx s VAL 37 Cb -0.13 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 2rdx s VAL 37 CO 0.01 0.54 -0.10 -0.63 0.00 0.00 0.00 175.10 174.93 2rdx s ILE 38 N 1.05 3.05 0.06 2.22 1.01 0.35 -0.81 121.20 128.12 2rdx s ILE 38 Ca -0.01 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.03 2rdx s ILE 38 Cb -0.14 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 2rdx s ILE 38 CO -0.07 0.48 0.11 -1.81 0.00 0.00 0.00 174.94 173.64 2rdx s ASP 39 N 1.06 5.76 0.32 3.58 1.01 0.59 -1.10 116.67 127.89 2rdx s ASP 39 Ca 0.00 0.09 0.07 0.00 0.71 0.00 0.00 52.55 53.43 2rdx s ASP 39 Cb -0.15 -1.63 -0.06 0.00 1.01 0.00 0.00 42.92 42.09 2rdx s ASP 39 CO -0.02 0.20 -0.05 0.42 0.21 0.00 0.00 175.17 175.92 2rdx s THR 40 N -1.37 1.84 -0.36 -1.27 -4.23 -0.92 -0.96 115.64 108.36 2rdx s THR 40 Ca 0.29 -2.13 0.26 0.00 -1.18 0.00 0.00 61.69 58.94 2rdx s THR 40 Cb -0.12 -2.60 0.29 0.00 1.34 0.00 0.00 72.50 71.41 2rdx s THR 40 CO 0.21 -0.21 1.78 -2.24 -0.54 0.00 0.00 174.62 173.63 2rdx h ASP 41 N 2.13 0.00 -0.24 3.99 3.04 -1.78 -2.12 116.42 121.43 2rdx h ASP 41 Ca -0.41 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.38 2rdx h ASP 41 Cb 1.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 2rdx h ASP 41 CO 0.70 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.90 2rdx n ALA 42 N -1.86 2.48 -0.93 4.15 0.00 -1.26 -4.94 120.51 118.15 2rdx n ALA 42 Ca 0.02 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.77 2rdx n ALA 42 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 1.27 0.63 3.69 0.00 0.00 -0.80 -5.02 105.19 104.96 2rdx n GLY 43 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2rdx n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rdx s LEU 44 N 0.00 4.27 -0.06 0.99 1.43 -1.26 -4.87 118.68 119.18 2rdx s LEU 44 Ca 0.00 1.63 0.04 0.00 -1.03 0.00 0.00 54.13 54.78 2rdx s LEU 44 Cb 0.00 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.64 2rdx s LEU 44 CO 0.00 -0.48 -0.18 -1.58 0.23 0.00 0.00 176.35 174.35 2rdx s GLN 45 N 1.98 2.56 0.10 1.70 0.74 -1.26 -2.16 119.66 123.32 2rdx s GLN 45 Ca 0.51 -0.77 0.08 0.00 0.05 0.00 0.00 55.36 55.24 2rdx s GLN 45 Cb -0.21 -2.32 -0.04 0.00 1.10 0.00 0.00 33.01 31.55 2rdx s GLN 45 CO 0.20 0.52 -0.21 0.20 -0.55 0.00 0.00 175.29 175.45 2rdx s GLY 46 N -0.48 1.26 0.08 2.59 0.00 -0.26 -4.66 107.32 105.85 2rdx s GLY 46 Ca 0.06 -1.26 0.04 0.00 0.00 0.00 0.00 44.72 43.56 2rdx s GLY 46 CO 0.01 -1.27 -0.11 0.00 0.00 0.00 0.00 173.10 171.74 2rdx s GLY 48 N -2.02 0.76 -0.06 0.00 0.00 -0.15 -3.16 107.32 102.70 2rdx s GLY 48 Ca -0.00 -1.25 -0.04 0.00 0.00 0.00 0.00 44.72 43.43 2rdx s GLY 48 CO 0.01 -1.19 0.15 1.85 0.00 0.00 0.00 173.10 173.92 2rdx s GLU 49 N -4.01 0.15 -0.09 2.90 2.12 -1.26 -1.15 118.70 117.37 2rdx s GLU 49 Ca 0.20 0.24 0.01 0.00 0.36 0.00 0.00 54.97 55.79 2rdx s GLU 49 Cb 0.06 0.02 0.02 0.00 0.26 0.00 0.00 34.13 34.49 2rdx s GLU 49 CO -0.00 -0.05 -0.12 0.12 -0.54 0.00 0.00 175.26 174.66 2rdx s PHE 50 N 0.34 1.58 -0.11 5.30 5.36 -0.56 -4.47 117.98 125.41 2rdx s PHE 50 Ca -0.02 -0.68 -0.02 0.00 -0.96 0.00 0.00 56.93 55.26 2rdx s PHE 50 Cb -0.03 -1.19 0.04 0.00 -0.34 0.00 0.00 43.02 41.49 2rdx s PHE 50 CO -0.01 -0.38 -0.00 0.99 -1.46 0.00 0.00 175.22 174.36 2rdx s THR 51 N 0.99 0.52 0.52 0.12 2.01 -1.26 -1.48 115.64 117.06 2rdx s THR 51 Ca -0.08 -0.14 -0.20 0.00 0.31 0.00 0.00 61.69 61.58 2rdx s THR 51 Cb -0.15 -0.76 -0.07 0.00 0.01 0.00 0.00 72.50 71.54 2rdx s THR 51 CO -0.00 0.14 1.09 -2.16 -0.69 0.00 0.00 174.62 173.00 2rdx s PRO 52 N 1.90 3.55 -1.16 4.92 0.04 -1.26 -2.87 135.00 140.12 2rdx s PRO 52 Ca 0.03 1.52 -0.09 0.00 0.04 0.00 0.00 61.00 62.50 2rdx s PRO 52 Cb -0.14 -2.06 0.25 0.00 0.04 0.00 0.00 34.50 32.59 2rdx s PRO 52 CO -0.06 -0.67 1.44 0.00 0.04 0.00 0.00 177.00 177.75 2rdx n GLY 54 N 2.57 1.12 0.25 0.00 0.00 -1.26 -4.57 105.19 103.30 2rdx n GLY 54 Ca 0.30 -1.42 0.13 0.00 0.00 0.00 0.00 46.02 45.03 2rdx n GLY 54 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2rdx h GLU 55 N 0.00 0.00 -0.52 1.61 4.39 -1.88 -2.95 114.58 115.23 2rdx h GLU 55 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2rdx h GLU 55 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2rdx h GLU 55 CO 0.00 0.13 0.00 0.27 -1.16 0.00 0.00 179.01 178.25 2rdx n ASN 56 N -3.38 4.12 0.00 1.42 6.94 -1.26 -4.47 115.26 118.63 2rdx n ASN 56 Ca -0.00 -2.41 -0.13 0.00 -0.02 0.00 0.00 54.58 52.02 2rdx n ASN 56 Cb 0.33 -0.48 -0.09 0.00 -2.36 0.00 0.00 39.78 37.17 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 3.21 -0.01 -2.89 -2.53 3.20 -1.76 -3.47 116.97 112.72 2rdx h TYR 57 Ca 0.00 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 2rdx h TYR 57 Cb 1.25 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.49 2rdx h TYR 57 CO 0.57 0.36 -0.10 0.00 -1.64 0.00 0.00 178.16 177.35 2rdx n MET 58 N -4.92 0.35 -2.31 1.82 0.00 -1.26 -5.04 117.12 105.77 2rdx n MET 58 Ca -0.08 -0.75 -0.43 0.00 0.00 0.00 0.00 57.70 56.44 2rdx n MET 58 Cb 0.20 0.54 0.00 0.00 0.00 0.00 0.00 33.22 33.96 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 -0.16 3.83 -3.65 3.17 5.41 -1.26 -4.76 119.36 121.94 2rdx n ILE 59 Ca 0.01 -3.80 -0.03 0.00 1.00 0.00 0.00 62.75 59.93 2rdx n ILE 59 Cb 0.13 -2.45 -0.07 0.00 -0.71 0.00 0.00 39.64 36.55 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 3.45 -2.30 0.14 -1.39 0.00 -1.26 -4.83 121.76 115.56 2rdx s ALA 60 Ca 0.50 1.97 -0.05 0.00 0.00 0.00 0.00 51.96 54.38 2rdx s ALA 60 Cb 0.07 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 2rdx s ALA 60 CO 0.01 -0.26 0.15 -3.38 0.00 0.00 0.00 175.76 172.28 2rdx s HIS 61 N 0.75 0.61 0.21 0.00 -3.43 -1.26 -4.61 115.29 107.57 2rdx s HIS 61 Ca -0.03 -1.00 -0.08 0.00 -0.80 0.00 0.00 55.06 53.16 2rdx s HIS 61 Cb -0.04 -0.28 0.15 0.00 -1.43 0.00 0.00 32.58 30.98 2rdx s HIS 61 CO -0.12 -0.59 1.75 1.03 -2.00 0.00 0.00 174.74 174.81 2rdx h SER 62 N 2.75 1.08 0.87 7.38 0.87 -1.91 -2.93 113.55 121.67 2rdx h SER 62 Ca -0.34 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 2rdx h SER 62 Cb 1.21 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2rdx h SER 62 CO 0.55 1.00 0.00 -0.33 -0.53 0.00 0.00 176.83 177.52 2rdx h GLU 63 N 1.11 0.00 0.00 2.24 4.39 -1.98 -3.18 114.58 117.17 2rdx h GLU 63 Ca 0.24 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 2rdx h GLU 63 Cb 0.30 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 -0.08 0.78 -1.16 0.00 0.00 179.01 178.54 2rdx h GLY 64 N 2.47 0.00 0.67 -3.84 0.00 -1.95 -3.09 103.07 97.34 2rdx h GLY 64 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2rdx h GLY 64 CO 0.00 0.00 -0.13 -2.08 0.00 0.00 0.00 176.54 174.33 2rdx h VAL 65 N 0.00 1.37 -0.49 4.60 2.07 -1.73 -2.44 116.25 119.65 2rdx h VAL 65 Ca -0.00 -1.33 0.10 0.00 0.82 0.00 0.00 66.70 66.28 2rdx h VAL 65 Cb 0.67 2.03 -0.10 0.00 -1.52 0.00 0.00 31.29 32.38 2rdx h VAL 65 CO 0.01 0.38 -0.14 0.44 0.02 0.00 0.00 177.57 178.28 2rdx h ASP 66 N -0.17 -0.52 -0.32 0.57 3.45 -1.74 -0.61 116.42 117.09 2rdx h ASP 66 Ca 0.01 0.15 -0.03 0.00 0.43 0.00 0.00 57.03 57.59 2rdx h ASP 66 Cb 0.67 0.33 -0.01 0.00 -0.56 0.00 0.00 39.33 39.75 2rdx h ASP 66 CO 0.03 -0.18 0.07 0.00 -1.57 0.00 0.00 179.24 177.59 2rdx h ALA 67 N 1.43 0.42 -0.41 3.45 0.00 -1.56 -1.23 119.26 121.35 2rdx h ALA 67 Ca 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2rdx h ALA 67 Cb 0.39 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2rdx h ALA 67 CO -0.52 0.09 0.27 0.35 0.00 0.00 0.00 179.25 179.44 2rdx h PHE 68 N 0.35 0.52 -0.70 0.00 3.57 -1.33 -3.09 116.94 116.26 2rdx h PHE 68 Ca 0.10 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 2rdx h PHE 68 Cb 0.30 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 2rdx h PHE 68 CO 0.02 0.33 0.41 0.00 -2.23 0.00 0.00 178.31 176.83 2rdx h ALA 69 N 1.15 0.89 0.00 2.41 0.00 -0.86 0.11 119.26 122.97 2rdx h ALA 69 Ca 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2rdx h ALA 69 Cb -0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 2rdx h ALA 69 CO -0.03 0.38 -0.12 0.00 0.00 0.00 0.00 179.25 179.47 2rdx h ARG 70 N 0.96 0.00 0.13 0.00 3.08 -1.17 0.42 114.38 117.80 2rdx h ARG 70 Ca 0.25 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.94 2rdx h ARG 70 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2rdx h ARG 70 CO -0.05 0.12 -1.93 1.25 -1.07 0.00 0.00 179.97 178.30 2rdx h LEU 71 N 0.00 0.42 0.03 3.04 6.46 -1.36 -3.43 115.31 120.47 2rdx h LEU 71 Ca -0.00 -0.88 -0.35 0.00 -0.12 0.00 0.00 57.88 56.53 2rdx h LEU 71 Cb 0.23 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 39.97 2rdx h LEU 71 CO 0.02 1.78 -2.10 0.00 -0.62 0.00 0.00 178.44 177.52 2rdx n ALA 72 N -2.94 1.33 -0.34 1.25 0.00 0.34 -4.60 120.51 115.55 2rdx n ALA 72 Ca -0.29 -0.93 0.01 0.00 0.00 0.00 0.00 53.44 52.23 2rdx n ALA 72 Cb 1.05 -0.50 0.15 0.00 0.00 0.00 0.00 19.45 20.15 2rdx n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rdx h ALA 73 N 0.57 1.26 0.00 0.00 0.00 -1.12 -1.50 119.26 118.47 2rdx h ALA 73 Ca -0.44 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2rdx h ALA 73 Cb 2.05 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 2rdx h ALA 73 CO 0.04 0.39 -0.11 -1.35 0.00 0.00 0.00 179.25 178.22 2rdx h PRO 74 N 1.10 0.00 0.00 0.00 0.11 -1.81 -2.37 132.00 129.03 2rdx h PRO 74 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 2rdx h PRO 74 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 2rdx h PRO 74 CO -0.16 0.11 -0.19 1.04 -0.21 0.00 0.00 178.00 178.59 2rdx n GLN 75 N -3.99 0.21 0.02 1.05 1.13 -0.61 -3.78 117.38 111.42 2rdx n GLN 75 Ca -0.02 0.13 0.11 0.00 -1.94 0.00 0.00 57.00 55.28 2rdx n GLN 75 Cb 0.19 -1.70 0.00 0.00 0.11 0.00 0.00 30.24 28.84 2rdx n GLN 75 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2rdx n LEU 76 N -2.04 0.60 -4.74 1.08 4.77 -0.90 -4.90 117.00 110.87 2rdx n LEU 76 Ca 0.05 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 2rdx n LEU 76 Cb 0.41 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 2rdx n LEU 76 CO 0.32 0.06 1.18 -0.76 -1.33 0.00 0.00 177.39 176.85 2rdx s LEU 77 N -3.90 4.37 0.00 2.23 1.43 -1.16 -2.47 118.68 119.18 2rdx s LEU 77 Ca 0.03 2.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 2rdx s LEU 77 Cb 0.14 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.75 2rdx s LEU 77 CO 0.81 -0.79 0.00 0.61 0.23 0.00 0.00 176.35 177.22 2rdx n GLY 78 N 2.80 0.97 3.88 -3.19 0.00 0.75 -4.93 105.19 105.48 2rdx n GLY 78 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.63 3.67 -0.58 1.61 -1.52 -1.03 -4.48 119.66 116.70 2rdx s GLN 79 Ca 0.00 0.47 -0.23 0.00 -1.95 0.00 0.00 55.36 53.65 2rdx s GLN 79 Cb 0.00 -2.30 0.05 0.00 -0.22 0.00 0.00 33.01 30.54 2rdx s GLN 79 CO 0.00 -0.23 0.90 0.34 -0.25 0.00 0.00 175.29 176.05 2rdx s ASP 80 N -3.71 6.27 0.50 5.90 -1.08 -1.25 -0.74 116.67 122.56 2rdx s ASP 80 Ca 0.51 -0.63 0.31 0.00 -0.52 0.00 0.00 52.55 52.22 2rdx s ASP 80 Cb -0.10 -2.41 1.20 0.00 -1.46 0.00 0.00 42.92 40.15 2rdx s ASP 80 CO 0.41 -1.24 1.91 1.55 0.52 0.00 0.00 175.17 178.32 2rdx h PRO 81 N 9.34 0.00 0.00 4.34 0.13 -1.93 -2.96 132.00 140.92 2rdx h PRO 81 Ca -0.27 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.80 2rdx h PRO 81 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2rdx h PRO 81 CO 1.10 0.00 -0.26 0.00 -0.23 0.00 0.00 178.00 178.61 2rdx h ARG 82 N 0.00 0.00 -5.38 0.86 3.08 -1.92 -3.37 114.38 107.65 2rdx h ARG 82 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 2rdx h ARG 82 Cb 0.55 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.46 2rdx h ARG 82 CO 0.00 0.26 1.41 -0.65 -1.07 0.00 0.00 179.97 179.92 2rdx s GLN 83 N -4.06 3.81 0.32 0.04 -0.21 -1.12 -4.82 119.66 113.62 2rdx s GLN 83 Ca -0.02 -1.88 0.11 0.00 0.02 0.00 0.00 55.36 53.60 2rdx s GLN 83 Cb 0.13 -5.19 0.52 0.00 1.00 0.00 0.00 33.01 29.47 2rdx s GLN 83 CO 0.66 -1.97 1.71 -0.39 -2.12 0.00 0.00 175.29 173.17 2rdx h VAL 84 N 5.70 1.36 0.04 1.09 -1.51 -1.86 -2.05 116.25 119.02 2rdx h VAL 84 Ca 0.27 -1.75 -0.22 0.00 -1.23 0.00 0.00 66.70 63.76 2rdx h VAL 84 Cb 0.95 1.95 -0.01 0.00 -2.13 0.00 0.00 31.29 32.04 2rdx h VAL 84 CO 1.29 0.50 -1.03 0.00 -1.23 0.00 0.00 177.57 177.11 2rdx h ALA 85 N 1.49 0.34 -0.53 5.19 0.00 -1.94 0.03 119.26 123.83 2rdx h ALA 85 Ca -0.01 -0.83 -0.07 0.00 0.00 0.00 0.00 54.91 54.01 2rdx h ALA 85 Cb 0.91 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2rdx h ALA 85 CO 0.07 1.03 0.06 -0.09 0.00 0.00 0.00 179.25 180.31 2rdx h ARG 86 N 0.07 0.90 -0.43 0.00 2.43 -1.88 -0.93 114.38 114.53 2rdx h ARG 86 Ca -0.06 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 58.78 2rdx h ARG 86 Cb 1.73 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 31.16 2rdx h ARG 86 CO 0.15 0.89 -0.02 0.52 -1.51 0.00 0.00 179.97 180.01 2rdx h MET 87 N 0.78 0.78 -0.27 0.20 2.86 -1.34 -1.09 114.93 116.84 2rdx h MET 87 Ca 0.16 -0.26 0.05 0.00 -2.06 0.00 0.00 59.70 57.59 2rdx h MET 87 Cb 0.45 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 2rdx h MET 87 CO 0.02 0.86 -0.05 1.49 1.06 0.00 0.00 176.91 180.28 2rdx h GLU 88 N 0.62 0.02 0.00 1.72 4.81 -0.87 -1.21 114.58 119.67 2rdx h GLU 88 Ca 0.12 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 2rdx h GLU 88 Cb 0.52 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2rdx h GLU 88 CO 0.03 0.01 -0.46 0.00 -0.73 0.00 0.00 179.01 177.85 2rdx h ARG 89 N 0.02 0.00 0.05 1.92 3.08 -1.07 -1.64 114.38 116.73 2rdx h ARG 89 Ca 0.13 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 2rdx h ARG 89 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2rdx h ARG 89 CO -0.26 0.46 -0.02 1.25 -1.07 0.00 0.00 179.97 180.33 2rdx h LEU 90 N 0.00 -0.05 -0.49 3.04 5.85 -0.97 -1.67 115.31 121.02 2rdx h LEU 90 Ca -0.00 -0.41 0.09 0.00 0.84 0.00 0.00 57.88 58.39 2rdx h LEU 90 Cb 0.95 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 2rdx h LEU 90 CO 0.06 0.39 0.08 0.24 -0.34 0.00 0.00 178.44 178.87 2rdx h MET 91 N -0.51 0.20 0.00 1.25 2.86 -1.14 -0.08 114.93 117.51 2rdx h MET 91 Ca -0.01 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 2rdx h MET 91 Cb 0.46 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 2rdx h MET 91 CO 0.01 0.14 -0.15 -0.44 1.06 0.00 0.00 176.91 177.52 2rdx h ASP 92 N 0.21 0.00 0.23 1.22 3.32 -1.30 -1.42 116.42 118.67 2rdx h ASP 92 Ca 0.25 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.03 2rdx h ASP 92 Cb 0.34 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.90 2rdx h ASP 92 CO -0.34 0.15 -1.08 -0.74 -1.72 0.00 0.00 179.24 175.51 2rdx h HIS 93 N 0.00 0.82 -0.11 4.55 2.76 -0.35 -3.37 115.15 119.45 2rdx h HIS 93 Ca -0.00 -0.48 -0.05 0.00 -2.20 0.00 0.00 60.37 57.64 2rdx h HIS 93 Cb 0.53 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 2rdx h HIS 93 CO 0.00 1.32 -0.11 -0.07 -1.30 0.00 0.00 177.93 177.77 2rdx h LEU 94 N 0.27 0.29 -8.52 0.26 3.38 -0.25 -3.45 115.31 107.29 2rdx h LEU 94 Ca -0.13 -0.48 -0.42 0.00 0.09 0.00 0.00 57.88 56.94 2rdx h LEU 94 Cb 1.74 -0.08 -0.20 0.00 0.09 0.00 0.00 40.66 42.21 2rdx h LEU 94 CO 0.20 0.71 -0.77 0.68 0.09 0.00 0.00 178.44 179.35 2rdx s VAL 95 N -4.29 1.24 0.07 1.22 -7.23 -0.61 -5.07 120.40 105.73 2rdx s VAL 95 Ca -0.15 -1.53 -0.14 0.00 -1.81 0.00 0.00 61.98 58.36 2rdx s VAL 95 Cb 0.04 -1.33 -0.06 0.00 0.56 0.00 0.00 36.38 35.59 2rdx s VAL 95 CO 0.73 -0.32 0.46 -1.10 -0.31 0.00 0.00 175.10 174.57 2rdx s GLN 96 N -2.24 3.93 4.25 4.82 -0.21 -1.26 -4.14 119.66 124.81 2rdx s GLN 96 Ca 0.04 0.41 0.00 0.00 0.02 0.00 0.00 55.36 55.83 2rdx s GLN 96 Cb -0.07 -3.09 0.00 0.00 1.00 0.00 0.00 33.01 30.84 2rdx s GLN 96 CO 0.03 0.60 0.00 0.41 -2.12 0.00 0.00 175.29 174.21 2rdx n GLY 97 N 1.32 1.10 3.85 3.09 0.00 -1.26 -4.92 105.19 108.38 2rdx n GLY 97 Ca -0.10 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 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 4.66 -2.29 0.19 1.61 8.25 -1.26 -4.86 115.22 121.51 2rdx n HIS 98 Ca 0.00 0.88 0.04 0.00 -0.26 0.00 0.00 57.72 58.38 2rdx n HIS 98 Cb 0.00 -3.97 0.47 0.00 1.12 0.00 0.00 29.99 27.61 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 0.07 1.55 -1.41 0.00 -1.90 -2.08 103.07 97.26 2rdx h GLY 99 Ca -0.57 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 46.76 2rdx h GLY 99 CO 0.66 0.04 0.21 0.10 0.00 0.00 0.00 176.54 177.54 2rdx h TYR 100 N 0.06 0.22 0.00 5.60 -0.00 -1.87 -0.21 116.97 120.78 2rdx h TYR 100 Ca 0.01 0.01 -0.18 0.00 0.00 0.00 0.00 58.73 58.56 2rdx h TYR 100 Cb 0.34 -0.07 -0.03 0.00 0.00 0.00 0.00 36.73 36.97 2rdx h TYR 100 CO 0.00 0.12 -0.99 0.00 -0.00 0.00 0.00 178.16 177.30 2rdx h ALA 101 N 1.84 0.54 0.01 0.10 0.00 -1.69 -3.25 119.26 116.80 2rdx h ALA 101 Ca 0.13 -0.84 -0.20 0.00 0.00 0.00 0.00 54.91 54.00 2rdx h ALA 101 Cb 0.24 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2rdx h ALA 101 CO -0.02 1.07 -0.93 0.87 0.00 0.00 0.00 179.25 180.23 2rdx h LYS 102 N 0.00 0.03 -0.84 0.00 1.57 -1.30 -3.38 116.57 112.65 2rdx h LYS 102 Ca -0.06 -0.04 0.20 0.00 -1.87 0.00 0.00 60.65 58.88 2rdx h LYS 102 Cb 1.67 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 33.87 2rdx h LYS 102 CO 0.09 0.94 0.27 0.00 -0.57 0.00 0.00 179.45 180.19 2rdx h ALA 103 N 1.05 1.22 -0.45 3.86 0.00 -1.09 -1.39 119.26 122.45 2rdx h ALA 103 Ca -0.02 0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2rdx h ALA 103 Cb 1.64 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 2rdx h ALA 103 CO 0.12 -0.37 -0.04 -1.35 0.00 0.00 0.00 179.25 177.61 2rdx h PRO 104 N 0.31 0.77 -0.35 0.00 0.11 -1.76 -1.95 132.00 129.12 2rdx h PRO 104 Ca 0.51 -0.22 -0.02 0.00 0.11 0.00 0.00 66.00 66.38 2rdx h PRO 104 Cb 0.94 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 2rdx h PRO 104 CO -0.56 0.81 0.16 0.74 -0.21 0.00 0.00 178.00 178.94 2rdx h PHE 105 N 0.71 0.52 -0.88 0.65 0.04 -1.57 -2.48 116.94 113.94 2rdx h PHE 105 Ca 0.13 -0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.93 2rdx h PHE 105 Cb 0.50 -0.16 -0.06 0.00 2.20 0.00 0.00 35.95 38.43 2rdx h PHE 105 CO 0.03 0.46 0.55 0.22 -0.60 0.00 0.00 178.31 178.97 2rdx h ASP 106 N 0.43 0.88 -0.67 2.17 3.58 -1.17 -2.03 116.42 119.63 2rdx h ASP 106 Ca 0.12 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.52 2rdx h ASP 106 Cb 0.15 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 2rdx h ASP 106 CO -0.01 0.57 0.18 0.00 -2.88 0.00 0.00 179.24 177.10 2rdx h ALA 107 N 1.40 0.88 -0.35 -0.78 0.00 -1.20 -2.35 119.26 116.86 2rdx h ALA 107 Ca 0.38 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2rdx h ALA 107 Cb 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2rdx h ALA 107 CO -0.16 0.58 -0.09 0.00 0.00 0.00 0.00 179.25 179.58 2rdx h ALA 108 N 1.07 1.19 -0.28 0.00 0.00 -1.06 -0.58 119.26 119.60 2rdx h ALA 108 Ca 0.21 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 2rdx h ALA 108 Cb 0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2rdx h ALA 108 CO -0.00 0.52 -0.44 0.74 0.00 0.00 0.00 179.25 180.07 2rdx h PHE 109 N 0.55 0.87 -0.26 0.00 0.04 -1.21 -1.57 116.94 115.36 2rdx h PHE 109 Ca 0.10 -0.27 -0.09 0.00 2.80 0.00 0.00 57.97 60.51 2rdx h PHE 109 Cb 0.49 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 2rdx h PHE 109 CO 0.02 1.03 -0.21 -1.49 -0.60 0.00 0.00 178.31 177.06 2rdx h TRP 110 N 0.58 0.53 0.16 -0.55 4.06 -1.08 -1.40 115.95 118.24 2rdx h TRP 110 Ca 0.04 -0.10 -0.01 0.00 2.06 0.00 0.00 58.89 60.88 2rdx h TRP 110 Cb 1.00 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 29.02 2rdx h TRP 110 CO 0.05 0.66 -0.08 0.22 -3.56 0.00 0.00 178.44 175.74 2rdx h ASP 111 N 0.44 -0.18 -0.60 -3.49 3.58 -0.98 -1.74 116.42 113.45 2rdx h ASP 111 Ca 0.07 -0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.43 2rdx h ASP 111 Cb 0.61 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.67 2rdx h ASP 111 CO 0.04 -0.02 0.39 0.40 -2.88 0.00 0.00 179.24 177.17 2rdx h ILE 112 N -0.33 1.15 -0.57 2.25 2.04 -1.22 -2.19 117.51 118.64 2rdx h ILE 112 Ca -0.02 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.57 2rdx h ILE 112 Cb 0.26 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 2rdx h ILE 112 CO 0.04 0.15 0.36 0.25 0.00 0.00 0.00 178.15 178.95 2rdx h LEU 113 N 0.81 0.61 -1.46 1.44 5.85 -1.25 0.42 115.31 121.74 2rdx h LEU 113 Ca 0.22 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 2rdx h LEU 113 Cb -0.09 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 2rdx h LEU 113 CO -0.05 0.44 0.17 1.23 -0.34 0.00 0.00 178.44 179.89 2rdx h GLY 114 N 0.73 0.57 0.79 3.75 0.00 -1.09 -1.18 103.07 106.65 2rdx h GLY 114 Ca 0.22 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.15 2rdx h GLY 114 CO -0.07 0.25 -0.50 1.46 0.00 0.00 0.00 176.54 177.68 2rdx h GLN 115 N 0.54 0.43 0.00 4.80 4.20 -0.94 0.79 115.11 124.93 2rdx h GLN 115 Ca 0.14 -0.40 -0.02 0.00 0.06 0.00 0.00 58.65 58.43 2rdx h GLN 115 Cb 0.08 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 2rdx h GLN 115 CO -0.02 1.04 -0.11 0.00 -0.67 0.00 0.00 178.83 179.07 2rdx h ALA 116 N 0.40 1.49 -0.01 3.87 0.00 -0.74 -2.84 119.26 121.43 2rdx h ALA 116 Ca -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2rdx h ALA 116 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2rdx h ALA 116 CO 0.10 0.14 -0.74 0.25 0.00 0.00 0.00 179.25 179.00 2rdx n THR 117 N -3.93 0.00 -1.96 0.00 -2.24 -0.46 -4.99 114.28 100.69 2rdx n THR 117 Ca -0.02 -0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 2rdx n THR 117 Cb 0.20 1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 69.51 2rdx n THR 117 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rdx n GLY 118 N 1.43 0.30 3.08 3.38 0.00 -0.36 -5.03 105.19 107.99 2rdx n GLY 118 Ca 0.06 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.11 0.80 0.75 1.61 -1.52 0.13 -4.60 119.66 112.72 2rdx s GLN 119 Ca 0.00 -0.58 -0.15 0.00 -1.95 0.00 0.00 55.36 52.68 2rdx s GLN 119 Cb 0.00 -0.77 0.04 0.00 -0.22 0.00 0.00 33.01 32.06 2rdx s GLN 119 CO 0.00 0.19 1.13 -0.35 -0.25 0.00 0.00 175.29 176.01 2rdx n PRO 120 N 2.23 0.47 -0.18 2.91 -0.04 -1.23 -1.33 135.00 137.83 2rdx n PRO 120 Ca -0.17 0.22 0.03 0.00 -0.04 0.00 0.00 63.50 63.55 2rdx n PRO 120 Cb 0.56 -2.38 0.31 0.00 -0.04 0.00 0.00 33.50 31.95 2rdx n PRO 120 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2rdx h VAL 121 N -0.42 1.11 -0.62 0.52 2.07 -1.64 -2.30 116.25 114.97 2rdx h VAL 121 Ca -0.47 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 66.81 2rdx h VAL 121 Cb 1.32 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 2rdx h VAL 121 CO 0.47 0.16 0.41 4.11 0.02 0.00 0.00 177.57 182.74 2rdx h TRP 122 N 0.86 0.62 -0.69 1.57 5.08 -1.88 -0.37 115.95 121.15 2rdx h TRP 122 Ca 0.28 0.02 -0.07 0.00 1.08 0.00 0.00 58.89 60.19 2rdx h TRP 122 Cb 0.04 -0.21 -0.03 0.00 -3.00 0.00 0.00 29.16 25.97 2rdx h TRP 122 CO -0.00 0.34 0.16 1.98 -1.28 0.00 0.00 178.44 179.63 2rdx h MET 123 N 0.62 1.11 0.00 0.12 4.05 -1.68 -0.58 114.93 118.57 2rdx h MET 123 Ca 0.27 -0.27 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2rdx h MET 123 Cb 0.26 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.91 2rdx h MET 123 CO -0.08 0.99 0.00 -0.07 0.23 0.00 0.00 176.91 177.98 2rdx h LEU 124 N 1.04 0.00 -2.44 3.39 3.38 -1.07 -2.60 115.31 117.01 2rdx h LEU 124 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2rdx h LEU 124 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2rdx h LEU 124 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 2rdx n LEU 125 N -2.35 3.62 0.00 1.67 4.77 -0.30 -4.94 117.00 119.48 2rdx n LEU 125 Ca 0.04 -1.82 0.00 0.00 -0.03 0.00 0.00 56.01 54.20 2rdx n LEU 125 Cb 0.34 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2rdx n LEU 125 CO 0.25 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 2rdx n GLY 126 N 1.31 1.41 0.00 -0.72 0.00 -0.98 -4.93 105.19 101.27 2rdx n GLY 126 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 1.58 3.46 -0.02 0.00 -0.27 -4.95 105.19 104.99 2rdx n GLY 127 Ca 0.00 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.29 3.51 0.00 1.61 2.20 -1.26 -3.91 119.74 120.59 2rdx s LYS 128 Ca 0.00 -1.53 0.24 0.00 -0.36 0.00 0.00 55.97 54.33 2rdx s LYS 128 Cb 0.00 -4.84 0.41 0.00 -1.51 0.00 0.00 37.83 31.89 2rdx s LYS 128 CO 0.00 -1.83 1.34 1.28 -0.36 0.00 0.00 175.35 175.79 2rdx n LEU 129 N 7.00 0.73 -3.65 5.43 4.32 0.19 -4.73 117.00 126.29 2rdx n LEU 129 Ca 0.20 -0.15 -0.18 0.00 -0.02 0.00 0.00 56.01 55.85 2rdx n LEU 129 Cb 0.49 -0.18 -0.16 0.00 -1.62 0.00 0.00 43.42 41.95 2rdx n LEU 129 CO 0.54 0.17 -0.27 0.00 -1.22 0.00 0.00 177.39 176.61 2rdx s ASP 131 N 2.25 6.53 0.00 0.00 2.15 -1.26 -4.55 116.67 121.78 2rdx s ASP 131 Ca 0.04 -2.04 0.00 0.00 0.43 0.00 0.00 52.55 50.98 2rdx s ASP 131 Cb -0.12 -2.31 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2rdx s ASP 131 CO -0.06 -0.93 0.00 0.61 -0.17 0.00 0.00 175.17 174.62 2rdx n GLY 132 N 4.95 -2.45 3.75 2.66 0.00 -1.26 -5.02 105.19 107.82 2rdx n GLY 132 Ca 0.10 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 2rdx n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rdx s ALA 133 N 0.00 3.59 0.52 4.61 0.00 -0.55 -4.68 121.76 125.24 2rdx s ALA 133 Ca 0.00 1.26 -0.22 0.00 0.00 0.00 0.00 51.96 53.01 2rdx s ALA 133 Cb 0.00 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.53 2rdx s ALA 133 CO 0.00 -0.68 1.24 -2.14 0.00 0.00 0.00 175.76 174.18 2rdx s PRO 134 N -0.46 3.39 0.29 0.00 0.02 -1.26 -0.81 135.00 136.17 2rdx s PRO 134 Ca 0.57 1.95 0.11 0.00 0.02 0.00 0.00 61.00 63.65 2rdx s PRO 134 Cb -0.40 -2.26 -0.05 0.00 0.02 0.00 0.00 34.50 31.81 2rdx s PRO 134 CO 0.43 -0.91 -0.11 -1.64 -0.33 0.00 0.00 177.00 174.44 2rdx s MET 135 N -2.90 1.89 0.25 5.54 -1.94 -1.07 -0.42 119.30 120.64 2rdx s MET 135 Ca 0.69 -1.71 0.11 0.00 -1.71 0.00 0.00 55.69 53.06 2rdx s MET 135 Cb -0.33 -1.87 -0.05 0.00 2.01 0.00 0.00 34.83 34.60 2rdx s MET 135 CO 0.39 0.28 -0.13 1.52 -0.01 0.00 0.00 175.02 177.07 2rdx s TYR 136 N -2.49 2.47 -0.13 -0.03 -0.85 -1.25 -4.25 117.35 110.81 2rdx s TYR 136 Ca 0.31 -0.29 0.02 0.00 -0.52 0.00 0.00 57.07 56.59 2rdx s TYR 136 Cb -0.04 -1.12 -0.00 0.00 0.38 0.00 0.00 41.96 41.18 2rdx s TYR 136 CO 0.17 0.62 -0.18 1.03 -1.52 0.00 0.00 175.55 175.67 2rdx s ARG 137 N -3.31 3.17 0.00 -3.49 1.81 -0.48 -4.96 118.95 111.69 2rdx s ARG 137 Ca 0.28 -0.79 -0.01 0.00 -1.72 0.00 0.00 55.73 53.50 2rdx s ARG 137 Cb -0.06 -2.51 -0.02 0.00 -0.45 0.00 0.00 34.95 31.90 2rdx s ARG 137 CO 0.16 0.09 2.03 1.33 -0.68 0.00 0.00 175.30 178.23 2rdx n VAL 138 N 3.83 1.97 -3.80 3.52 0.24 -1.26 -2.04 118.33 120.79 2rdx n VAL 138 Ca -0.19 -0.56 -0.22 0.00 -2.04 0.00 0.00 64.34 61.33 2rdx n VAL 138 Cb 0.52 -1.52 -0.04 0.00 -1.47 0.00 0.00 33.84 31.33 2rdx n VAL 138 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2rdx s ALA 139 N 0.22 3.84 0.00 2.33 0.00 -1.21 -4.78 121.76 122.16 2rdx s ALA 139 Ca 0.06 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.23 2rdx s ALA 139 Cb 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.15 2rdx s ALA 139 CO 0.00 -0.08 0.00 -0.35 0.00 0.00 0.00 175.76 175.33 2rdx n PRO 140 N -1.39 0.00 -0.30 0.00 -0.04 -1.26 -4.54 135.00 127.47 2rdx n PRO 140 Ca -0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2rdx n PRO 140 Cb 0.61 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.07 2rdx n PRO 140 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2rdx n GLN 141 N 0.00 0.00 0.00 0.54 6.02 -1.26 -4.73 117.38 117.95 2rdx n GLN 141 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2rdx n GLN 141 Cb 0.00 0.28 0.00 0.00 1.02 0.00 0.00 30.24 31.54 2rdx n GLN 141 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2rdx n ARG 142 N 0.00 0.00 -0.84 -1.09 1.85 -1.26 -5.16 116.66 110.15 2rdx n ARG 142 Ca -0.01 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.52 2rdx n ARG 142 Cb 0.16 0.00 0.15 0.00 -1.05 0.00 0.00 32.46 31.72 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 0.43 -0.28 2.89 2.88 -1.26 -4.74 113.62 113.53 2rdx n SER 143 Ca 0.00 0.48 -0.04 0.00 -1.33 0.00 0.00 58.87 57.98 2rdx n SER 143 Cb 0.00 -1.47 0.11 0.00 -0.75 0.00 0.00 64.21 62.10 2rdx n SER 143 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2rdx h GLU 144 N -1.51 1.16 -0.27 -1.46 4.81 -1.99 0.25 114.58 115.57 2rdx h GLU 144 Ca -0.44 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 58.50 2rdx h GLU 144 Cb 1.28 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2rdx h GLU 144 CO 0.42 0.89 -0.35 0.00 -0.73 0.00 0.00 179.01 179.25 2rdx h ALA 145 N 1.27 0.88 0.00 2.92 0.00 -2.01 -2.86 119.26 119.46 2rdx h ALA 145 Ca 0.28 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 2rdx h ALA 145 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2rdx h ALA 145 CO -0.04 0.63 -0.91 0.93 0.00 0.00 0.00 179.25 179.87 2rdx h GLU 146 N 0.51 0.00 -0.12 0.00 5.08 -1.87 -3.20 114.58 114.98 2rdx h GLU 146 Ca 0.05 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 2rdx h GLU 146 Cb 0.84 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 2rdx h GLU 146 CO 0.07 0.61 -0.70 1.79 -1.00 0.00 0.00 179.01 179.78 2rdx h THR 147 N 0.00 1.34 -0.49 1.13 1.35 -0.97 -2.73 112.91 112.54 2rdx h THR 147 Ca -0.06 -2.02 -0.05 0.00 -0.55 0.00 0.00 66.41 63.73 2rdx h THR 147 Cb 1.58 1.99 -0.02 0.00 -1.73 0.00 0.00 68.15 69.98 2rdx h THR 147 CO 0.08 0.62 0.10 0.03 -0.25 0.00 0.00 175.52 176.10 2rdx h ARG 148 N 0.38 0.81 -0.29 4.72 3.08 -1.59 -0.76 114.38 120.73 2rdx h ARG 148 Ca -0.03 -0.21 -0.12 0.00 0.07 0.00 0.00 59.98 59.70 2rdx h ARG 148 Cb 1.28 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 2rdx h ARG 148 CO 0.13 0.80 -0.30 0.00 -1.07 0.00 0.00 179.97 179.52 2rdx h ALA 149 N 0.98 0.94 -0.06 0.04 0.00 -1.63 -2.14 119.26 117.39 2rdx h ALA 149 Ca 0.15 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 2rdx h ALA 149 Cb 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2rdx h ALA 149 CO 0.01 0.61 -0.73 0.93 0.00 0.00 0.00 179.25 180.07 2rdx h GLU 150 N 0.51 0.34 0.00 0.00 5.08 -1.40 -2.86 114.58 116.25 2rdx h GLU 150 Ca 0.06 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 2rdx h GLU 150 Cb 0.78 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2rdx h GLU 150 CO 0.06 0.93 -0.53 -0.07 -1.00 0.00 0.00 179.01 178.40 2rdx h LEU 151 N 0.23 0.00 -0.33 1.33 3.38 -1.13 -2.78 115.31 116.01 2rdx h LEU 151 Ca -0.03 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 2rdx h LEU 151 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2rdx h LEU 151 CO 0.12 0.53 -0.73 0.00 0.09 0.00 0.00 178.44 178.45 2rdx h ALA 152 N 1.47 0.51 0.00 1.53 0.00 -1.43 -1.10 119.26 120.23 2rdx h ALA 152 Ca -0.01 -0.60 -0.14 0.00 0.00 0.00 0.00 54.91 54.16 2rdx h ALA 152 Cb 1.34 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2rdx h ALA 152 CO 0.07 0.73 -0.67 0.07 0.00 0.00 0.00 179.25 179.45 2rdx h ARG 153 N 0.38 0.00 0.01 0.00 -0.00 -1.55 -2.49 114.38 110.74 2rdx h ARG 153 Ca -0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 59.98 59.75 2rdx h ARG 153 Cb 1.33 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 31.31 2rdx h ARG 153 CO 0.14 0.67 -0.75 0.45 -0.00 0.00 0.00 179.97 180.48 2rdx h HIS 154 N 0.00 0.73 0.08 4.08 3.86 -1.50 -2.55 115.15 119.86 2rdx h HIS 154 Ca -0.01 -0.41 0.02 0.00 -1.16 0.00 0.00 60.37 58.82 2rdx h HIS 154 Cb 1.25 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 29.61 2rdx h HIS 154 CO 0.00 1.24 -0.25 -0.09 0.86 0.00 0.00 177.93 179.69 2rdx h ARG 155 N 0.02 -0.42 0.00 2.45 2.43 -1.24 -1.01 114.38 116.61 2rdx h ARG 155 Ca -0.10 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2rdx h ARG 155 Cb 1.45 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 31.09 2rdx h ARG 155 CO 0.15 -0.28 -0.01 0.00 -1.51 0.00 0.00 179.97 178.32 2rdx h ALA 156 N 0.34 1.81 -0.00 2.80 0.00 -1.53 -0.80 119.26 121.88 2rdx h ALA 156 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2rdx h ALA 156 Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2rdx h ALA 156 CO -0.16 0.01 -0.00 0.00 0.00 0.00 0.00 179.25 179.09 2rdx n ALA 157 N -2.46 2.66 0.00 0.00 0.00 -0.95 -4.91 120.51 114.86 2rdx n ALA 157 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2rdx n ALA 157 Cb 0.09 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 1.05 0.60 3.76 0.00 0.00 -0.30 -2.52 105.19 107.77 2rdx n GLY 158 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.05 3.48 0.00 1.61 1.51 -0.43 -4.74 117.35 116.73 2rdx s TYR 159 Ca 0.00 1.67 0.00 0.00 -1.01 0.00 0.00 57.07 57.73 2rdx s TYR 159 Cb 0.00 -3.28 0.00 0.00 -0.11 0.00 0.00 41.96 38.57 2rdx s TYR 159 CO 0.00 -0.66 0.04 -2.13 -1.11 0.00 0.00 175.55 171.69 2rdx n ARG 160 N 0.91 -0.07 -4.42 -0.62 3.00 -1.26 -3.98 116.66 110.22 2rdx n ARG 160 Ca 0.00 -0.04 -0.22 0.00 -0.00 0.00 0.00 57.85 57.59 2rdx n ARG 160 Cb 0.45 -0.53 -0.16 0.00 0.00 0.00 0.00 32.46 32.22 2rdx n ARG 160 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2rdx s GLN 161 N -0.00 1.28 -0.06 -0.14 -0.21 -1.26 -1.25 119.66 118.02 2rdx s GLN 161 Ca 0.00 -0.30 0.02 0.00 0.02 0.00 0.00 55.36 55.10 2rdx s GLN 161 Cb 0.00 -1.13 0.02 0.00 1.00 0.00 0.00 33.01 32.90 2rdx s GLN 161 CO 0.00 0.01 -0.09 -0.06 -2.12 0.00 0.00 175.29 173.03 2rdx s PHE 162 N 0.64 1.25 -0.19 0.91 0.40 -0.24 -1.38 117.98 119.37 2rdx s PHE 162 Ca -0.12 -0.46 -0.17 0.00 -0.60 0.00 0.00 56.93 55.59 2rdx s PHE 162 Cb -0.14 -0.97 -0.04 0.00 0.51 0.00 0.00 43.02 42.38 2rdx s PHE 162 CO 0.02 -0.28 0.43 -1.14 0.70 0.00 0.00 175.22 174.95 2rdx s GLN 163 N 0.87 4.21 -0.33 0.44 0.74 -0.87 -1.20 119.66 123.53 2rdx s GLN 163 Ca -0.11 0.27 -0.14 0.00 0.05 0.00 0.00 55.36 55.43 2rdx s GLN 163 Cb -0.15 -3.52 -0.02 0.00 1.10 0.00 0.00 33.01 30.42 2rdx s GLN 163 CO 0.01 -0.01 0.31 0.42 -0.55 0.00 0.00 175.29 175.47 2rdx s ILE 164 N 1.22 5.22 -0.36 -2.34 1.01 0.37 -3.29 121.20 123.03 2rdx s ILE 164 Ca 0.21 0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.58 2rdx s ILE 164 Cb -0.15 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.58 2rdx s ILE 164 CO 0.08 -0.02 1.25 -0.75 0.00 0.00 0.00 174.94 175.50 2rdx s LYS 165 N 1.91 3.85 0.06 2.79 2.47 -1.26 -1.82 119.74 127.73 2rdx s LYS 165 Ca 0.10 1.03 0.01 0.00 -1.56 0.00 0.00 55.97 55.55 2rdx s LYS 165 Cb -0.17 -3.88 -0.00 0.00 -1.46 0.00 0.00 37.83 32.32 2rdx s LYS 165 CO 0.11 -1.21 0.02 1.33 0.16 0.00 0.00 175.35 175.77 2rdx n VAL 166 N 6.42 0.00 0.00 4.02 0.24 -0.44 -4.98 118.33 123.60 2rdx n VAL 166 Ca 0.14 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 2rdx n VAL 166 Cb 0.47 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 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 1.60 1.23 0.02 7.63 0.00 -1.26 -3.88 105.19 110.53 2rdx n GLY 167 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 2rdx n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rdx n ALA 168 N -0.62 2.31 -3.20 4.61 0.00 -1.12 -3.32 120.51 119.17 2rdx n ALA 168 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2rdx n ALA 168 Cb 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 19.45 19.07 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 -3.83 -1.18 0.42 0.00 2.15 -1.26 -4.87 116.67 108.10 2rdx s ASP 169 Ca -0.05 -0.16 0.18 0.00 0.43 0.00 0.00 52.55 52.95 2rdx s ASP 169 Cb 0.08 1.82 1.10 0.00 -0.30 0.00 0.00 42.92 45.61 2rdx s ASP 169 CO 0.56 -0.28 1.83 4.11 -0.17 0.00 0.00 175.17 181.22 2rdx h TRP 170 N 7.80 0.56 -0.30 -5.34 5.08 -1.92 -1.10 115.95 120.72 2rdx h TRP 170 Ca -0.01 0.02 -0.06 0.00 1.08 0.00 0.00 58.89 59.92 2rdx h TRP 170 Cb 1.17 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 27.15 2rdx h TRP 170 CO 0.24 0.12 -0.03 0.37 -1.28 0.00 0.00 178.44 177.86 2rdx h GLN 171 N 0.39 0.55 -0.00 0.12 4.15 -1.96 -2.03 115.11 116.33 2rdx h GLN 171 Ca 0.51 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.74 2rdx h GLN 171 Cb 1.30 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2rdx h GLN 171 CO -0.20 0.71 -0.47 -1.13 -1.93 0.00 0.00 178.83 175.81 2rdx n SER 172 N -4.53 0.66 0.11 -0.69 3.41 -0.97 -3.33 113.62 108.28 2rdx n SER 172 Ca -0.03 -0.45 -0.03 0.00 -0.26 0.00 0.00 58.87 58.11 2rdx n SER 172 Cb 0.28 0.27 0.07 0.00 -0.26 0.00 0.00 64.21 64.57 2rdx n SER 172 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2rdx h ASP 173 N 0.30 0.00 -0.10 4.04 3.45 -1.03 -1.78 116.42 121.29 2rdx h ASP 173 Ca 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 2rdx h ASP 173 Cb 0.50 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.27 2rdx h ASP 173 CO 0.00 0.74 0.05 0.40 -1.57 0.00 0.00 179.24 178.86 2rdx h ILE 174 N 0.00 1.12 -0.63 0.35 2.04 -1.37 -2.21 117.51 116.81 2rdx h ILE 174 Ca -0.01 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 2rdx h ILE 174 Cb 1.33 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 2rdx h ILE 174 CO 0.10 0.10 0.15 0.44 0.00 0.00 0.00 178.15 178.93 2rdx h ASP 175 N 0.04 0.94 0.09 1.72 3.32 -1.62 -0.46 116.42 120.44 2rdx h ASP 175 Ca 0.03 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 2rdx h ASP 175 Cb 0.12 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2rdx h ASP 175 CO -0.00 0.92 -0.04 0.03 -1.72 0.00 0.00 179.24 178.42 2rdx h ARG 176 N 0.95 -0.11 -0.19 3.56 3.08 -1.28 -0.99 114.38 119.40 2rdx h ARG 176 Ca 0.20 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.27 2rdx h ARG 176 Cb 0.35 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2rdx h ARG 176 CO 0.00 -0.05 0.08 0.82 -1.07 0.00 0.00 179.97 179.74 2rdx h ILE 177 N -0.14 0.97 -0.18 2.04 2.04 -1.28 -2.04 117.51 118.92 2rdx h ILE 177 Ca -0.01 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 2rdx h ILE 177 Cb 0.11 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2rdx h ILE 177 CO 0.02 0.03 -0.02 0.03 0.00 0.00 0.00 178.15 178.21 2rdx h ARG 178 N 0.17 0.26 0.00 2.37 3.08 -0.99 -2.43 114.38 116.84 2rdx h ARG 178 Ca 0.08 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2rdx h ARG 178 Cb 0.04 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2rdx h ARG 178 CO -0.07 0.31 -0.89 0.00 -1.07 0.00 0.00 179.97 178.25 2rdx h ALA 179 N 1.73 0.54 0.11 0.04 0.00 -1.08 -3.39 119.26 117.21 2rdx h ALA 179 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.62 2rdx h ALA 179 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2rdx h ALA 179 CO 0.01 0.00 -1.88 0.00 0.00 0.00 0.00 179.25 177.37 2rdx h LEU 181 N -0.08 0.66 0.00 0.00 3.38 -1.64 -1.89 115.31 115.74 2rdx h LEU 181 Ca -0.41 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2rdx h LEU 181 Cb 1.93 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.58 2rdx h LEU 181 CO 0.05 0.42 0.00 -2.65 0.09 0.00 0.00 178.44 176.35 2rdx n PRO 182 N -4.73 0.69 -0.82 1.13 -0.02 -1.26 -3.12 135.00 126.87 2rdx n PRO 182 Ca 0.10 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 2rdx n PRO 182 Cb 0.19 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.47 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 -1.07 5.26 -3.86 2.45 4.32 -0.71 -4.90 117.00 118.49 2rdx n LEU 183 Ca 0.17 -2.70 -0.12 0.00 -0.02 0.00 0.00 56.01 53.34 2rdx n LEU 183 Cb 0.11 -0.69 -0.13 0.00 -1.62 0.00 0.00 43.42 41.10 2rdx n LEU 183 CO 0.15 0.65 -0.27 -1.48 -1.22 0.00 0.00 177.39 175.23 2rdx s LEU 184 N -2.42 1.74 0.46 2.23 0.05 -1.18 -4.97 118.68 114.58 2rdx s LEU 184 Ca 0.46 0.04 -0.13 0.00 0.05 0.00 0.00 54.13 54.55 2rdx s LEU 184 Cb 0.36 0.30 -0.07 0.00 -2.05 0.00 0.00 46.19 44.74 2rdx s LEU 184 CO 0.12 -0.10 0.86 -1.83 -0.55 0.00 0.00 176.35 174.86 2rdx s GLU 185 N -0.31 3.84 0.00 1.48 -1.05 -1.26 -4.93 118.70 116.47 2rdx s GLU 185 Ca -0.04 0.67 0.00 0.00 -0.15 0.00 0.00 54.97 55.45 2rdx s GLU 185 Cb -0.03 -2.28 0.00 0.00 -0.44 0.00 0.00 34.13 31.38 2rdx s GLU 185 CO 0.00 -0.15 0.00 -2.30 0.95 0.00 0.00 175.26 173.76 2rdx n PRO 186 N -1.46 0.00 0.16 -4.83 -0.02 -1.26 -1.10 135.00 126.49 2rdx n PRO 186 Ca 0.04 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.56 2rdx n PRO 186 Cb 0.54 0.00 0.19 0.00 -0.02 0.00 0.00 33.50 34.21 2rdx n PRO 186 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2rdx h GLY 187 N 0.00 0.00 -0.94 -1.23 0.00 -1.97 -3.48 103.07 95.46 2rdx h GLY 187 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 2rdx h GLY 187 CO 0.00 0.00 0.33 -0.54 0.00 0.00 0.00 176.54 176.33 2rdx s GLU 188 N -3.29 1.83 0.10 4.80 2.02 -0.26 -5.04 118.70 118.86 2rdx s GLU 188 Ca 0.02 0.50 0.03 0.00 0.02 0.00 0.00 54.97 55.54 2rdx s GLU 188 Cb 0.09 -1.90 -0.04 0.00 0.10 0.00 0.00 34.13 32.39 2rdx s GLU 188 CO 0.71 -1.77 -0.09 0.21 0.02 0.00 0.00 175.26 174.35 2rdx s LYS 189 N -5.22 0.85 -0.07 1.61 2.47 -0.38 -4.99 119.74 114.00 2rdx s LYS 189 Ca 0.62 -1.21 -0.03 0.00 -1.56 0.00 0.00 55.97 53.78 2rdx s LYS 189 Cb -0.14 -0.46 0.04 0.00 -1.46 0.00 0.00 37.83 35.81 2rdx s LYS 189 CO 0.54 0.06 0.17 0.00 0.16 0.00 0.00 175.35 176.27 2rdx s ALA 190 N -2.74 -0.32 -0.14 3.13 0.00 -1.26 -1.08 121.76 119.35 2rdx s ALA 190 Ca 0.07 0.74 -0.01 0.00 0.00 0.00 0.00 51.96 52.77 2rdx s ALA 190 Cb -0.01 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 2rdx s ALA 190 CO -0.01 -0.17 -0.12 0.00 0.00 0.00 0.00 175.76 175.46 2rdx s MET 191 N 1.22 3.39 -0.48 0.00 0.23 -0.34 -1.06 119.30 122.25 2rdx s MET 191 Ca -0.09 -0.68 -0.19 0.00 -1.03 0.00 0.00 55.69 53.70 2rdx s MET 191 Cb -0.11 -2.67 0.05 0.00 -1.53 0.00 0.00 34.83 30.56 2rdx s MET 191 CO -0.06 0.17 0.60 0.00 -2.03 0.00 0.00 175.02 173.69 2rdx s ALA 192 N 0.46 3.39 -0.38 3.16 0.00 0.13 -0.48 121.76 128.05 2rdx s ALA 192 Ca -0.09 -1.64 -0.13 0.00 0.00 0.00 0.00 51.96 50.10 2rdx s ALA 192 Cb -0.16 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.68 2rdx s ALA 192 CO 0.04 -1.91 0.25 0.34 0.00 0.00 0.00 175.76 174.48 2rdx s ASP 193 N 2.46 5.94 0.00 0.00 -1.08 -0.76 -0.68 116.67 122.56 2rdx s ASP 193 Ca 0.16 -0.83 0.28 0.00 -0.52 0.00 0.00 52.55 51.64 2rdx s ASP 193 Cb -0.18 -2.10 1.12 0.00 -1.46 0.00 0.00 42.92 40.29 2rdx s ASP 193 CO 0.13 -0.38 1.82 0.00 0.52 0.00 0.00 175.17 177.26 2rdx n ALA 194 N 5.09 2.70 -4.00 3.66 0.00 -1.07 -1.32 120.51 125.57 2rdx n ALA 194 Ca -0.12 -0.19 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 2rdx n ALA 194 Cb 0.47 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.36 -3.81 -0.54 0.00 5.03 -1.23 -1.07 115.26 112.28 2rdx n ASN 195 Ca 0.09 -1.22 -0.07 0.00 0.87 0.00 0.00 54.58 54.25 2rdx n ASN 195 Cb 0.31 -2.13 -0.03 0.00 -1.02 0.00 0.00 39.78 36.91 2rdx n ASN 195 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2rdx n GLN 196 N -4.79 -1.03 -0.02 3.52 6.02 -0.90 -4.38 117.38 115.81 2rdx n GLN 196 Ca -0.13 0.66 -0.08 0.00 -0.01 0.00 0.00 57.00 57.44 2rdx n GLN 196 Cb 0.59 -4.63 -0.13 0.00 1.02 0.00 0.00 30.24 27.08 2rdx n GLN 196 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2rdx n GLY 197 N -1.05 -1.02 3.80 1.08 0.00 -0.24 -3.42 105.19 104.35 2rdx n GLY 197 Ca -0.07 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 2rdx n GLY 197 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2rdx s TRP 198 N -2.63 3.66 0.46 1.61 0.51 -0.73 -4.59 118.94 117.23 2rdx s TRP 198 Ca -0.05 1.55 -0.21 0.00 -2.12 0.00 0.00 56.10 55.28 2rdx s TRP 198 Cb 0.08 -2.74 -0.09 0.00 -0.81 0.00 0.00 33.47 29.90 2rdx s TRP 198 CO 0.82 0.28 1.00 0.50 -0.51 0.00 0.00 176.95 179.04 2rdx s ARG 199 N -2.04 3.99 0.33 4.98 3.52 -1.26 -4.41 118.95 124.06 2rdx s ARG 199 Ca 0.46 1.28 0.01 0.00 -0.13 0.00 0.00 55.73 57.35 2rdx s ARG 199 Cb -0.17 -2.16 0.56 0.00 -1.56 0.00 0.00 34.95 31.61 2rdx s ARG 199 CO 0.22 -0.26 1.99 -0.24 -0.81 0.00 0.00 175.30 176.21 2rdx h VAL 200 N 1.74 1.18 -0.36 7.11 3.04 -1.95 0.29 116.25 127.30 2rdx h VAL 200 Ca -0.49 -0.34 -0.12 0.00 -1.01 0.00 0.00 66.70 64.74 2rdx h VAL 200 Cb 1.20 0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.62 2rdx h VAL 200 CO 0.60 0.18 -0.28 -2.24 -1.01 0.00 0.00 177.57 174.82 2rdx h ASP 201 N 0.96 0.78 0.09 3.17 2.03 -1.98 -2.27 116.42 119.19 2rdx h ASP 201 Ca 0.26 -0.30 -0.20 0.00 -0.73 0.00 0.00 57.03 56.06 2rdx h ASP 201 Cb -0.10 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.18 2rdx h ASP 201 CO -0.06 1.01 -0.74 0.78 -1.03 0.00 0.00 179.24 179.21 2rdx h ASN 202 N 0.64 0.66 -0.91 4.15 2.35 -1.53 -2.35 115.58 118.61 2rdx h ASN 202 Ca 0.08 -0.43 -0.01 0.00 -0.55 0.00 0.00 56.30 55.39 2rdx h ASN 202 Cb 0.80 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.93 2rdx h ASN 202 CO 0.07 1.19 0.54 0.00 -1.65 0.00 0.00 177.43 177.58 2rdx h ALA 203 N 0.80 1.25 -0.53 -0.83 0.00 -0.96 -1.38 119.26 117.61 2rdx h ALA 203 Ca -0.04 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 2rdx h ALA 203 Cb 1.33 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2rdx h ALA 203 CO 0.14 0.64 -0.07 0.82 0.00 0.00 0.00 179.25 180.78 2rdx h ILE 204 N 1.26 1.27 -0.69 0.00 2.04 -1.30 -0.38 117.51 119.70 2rdx h ILE 204 Ca 0.33 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 2rdx h ILE 204 Cb -0.05 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2rdx h ILE 204 CO -0.06 0.42 0.34 0.03 0.00 0.00 0.00 178.15 178.88 2rdx h ARG 205 N 0.85 0.99 -0.61 2.37 3.08 -1.19 -0.44 114.38 119.43 2rdx h ARG 205 Ca 0.14 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2rdx h ARG 205 Cb 0.62 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 2rdx h ARG 205 CO 0.04 0.77 0.23 1.25 -1.07 0.00 0.00 179.97 181.19 2rdx h LEU 206 N 0.96 0.85 -0.45 3.04 6.46 -1.12 -1.99 115.31 123.05 2rdx h LEU 206 Ca 0.24 -0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 2rdx h LEU 206 Cb 0.11 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.79 2rdx h LEU 206 CO -0.03 0.80 0.25 0.00 -0.62 0.00 0.00 178.44 178.84 2rdx h ALA 207 N 1.08 0.58 -0.16 1.25 0.00 -0.61 -2.43 119.26 118.97 2rdx h ALA 207 Ca 0.20 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2rdx h ALA 207 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2rdx h ALA 207 CO -0.01 0.10 -0.39 0.00 0.00 0.00 0.00 179.25 178.94 2rdx h ARG 208 N 0.59 0.37 -0.06 0.00 3.08 -1.05 -1.96 114.38 115.36 2rdx h ARG 208 Ca 0.16 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 2rdx h ARG 208 Cb 0.04 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2rdx h ARG 208 CO -0.03 0.71 -0.59 0.00 -1.07 0.00 0.00 179.97 178.99 2rdx h ALA 209 N 1.28 0.90 -0.50 0.04 0.00 -1.25 -3.21 119.26 116.51 2rdx h ALA 209 Ca 0.03 -0.53 -0.23 0.00 0.00 0.00 0.00 54.91 54.18 2rdx h ALA 209 Cb 0.83 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.40 2rdx h ALA 209 CO 0.07 0.72 0.10 0.25 0.00 0.00 0.00 179.25 180.39 2rdx n THR 210 N -3.88 2.68 0.81 0.00 -2.24 -0.93 -4.74 114.28 105.99 2rdx n THR 210 Ca -0.02 -2.40 0.08 0.00 -2.27 0.00 0.00 64.05 59.44 2rdx n THR 210 Cb 0.60 -0.34 0.43 0.00 -2.10 0.00 0.00 70.33 68.92 2rdx n THR 210 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2rdx n ARG 211 N -0.99 0.25 -0.22 -0.78 1.85 -0.75 -2.36 116.66 113.66 2rdx n ARG 211 Ca 0.38 0.12 0.08 0.00 -1.00 0.00 0.00 57.85 57.43 2rdx n ARG 211 Cb 1.17 -1.50 0.20 0.00 -1.05 0.00 0.00 32.46 31.28 2rdx n ARG 211 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2rdx n ASP 212 N -1.28 3.20 -4.51 2.89 5.75 -1.26 -4.97 116.55 116.37 2rdx n ASP 212 Ca 0.08 -1.96 -0.31 0.00 -0.01 0.00 0.00 54.79 52.60 2rdx n ASP 212 Cb 0.14 -0.29 -0.12 0.00 -1.03 0.00 0.00 41.12 39.82 2rdx n ASP 212 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2rdx s LEU 213 N -1.04 2.80 -0.68 -2.12 1.43 -1.00 -5.08 118.68 112.98 2rdx s LEU 213 Ca 0.31 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.87 2rdx s LEU 213 Cb 0.17 -1.63 0.14 0.00 0.03 0.00 0.00 46.19 44.90 2rdx s LEU 213 CO 0.22 0.24 0.74 -0.62 0.23 0.00 0.00 176.35 177.16 2rdx s ASP 214 N -1.61 6.37 0.29 2.29 2.15 -1.26 -4.91 116.67 119.99 2rdx s ASP 214 Ca 0.16 -1.86 -0.07 0.00 0.43 0.00 0.00 52.55 51.21 2rdx s ASP 214 Cb -0.11 -2.28 -0.00 0.00 -0.30 0.00 0.00 42.92 40.23 2rdx s ASP 214 CO 0.07 -0.94 0.45 -0.72 -0.17 0.00 0.00 175.17 173.86 2rdx s TYR 215 N 1.92 0.73 -0.27 -5.34 -0.85 -1.26 -4.77 117.35 107.51 2rdx s TYR 215 Ca 0.14 -1.04 -0.08 0.00 -0.52 0.00 0.00 57.07 55.57 2rdx s TYR 215 Cb -0.19 0.01 -0.03 0.00 0.38 0.00 0.00 41.96 42.13 2rdx s TYR 215 CO 0.00 -1.03 0.11 0.42 -1.52 0.00 0.00 175.55 173.53 2rdx s ILE 216 N -3.58 4.51 -0.70 -3.49 1.01 -0.22 -4.04 121.20 114.70 2rdx s ILE 216 Ca 0.27 -0.19 -0.26 0.00 0.00 0.00 0.00 60.65 60.48 2rdx s ILE 216 Cb 0.00 -3.17 0.04 0.00 0.01 0.00 0.00 42.46 39.35 2rdx s ILE 216 CO 0.14 0.26 1.17 -0.22 0.00 0.00 0.00 174.94 176.29 2rdx s LEU 217 N 1.63 3.55 -0.20 2.97 2.96 -0.02 -0.69 118.68 128.89 2rdx s LEU 217 Ca 0.06 -0.57 -0.10 0.00 -0.22 0.00 0.00 54.13 53.30 2rdx s LEU 217 Cb -0.16 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.92 2rdx s LEU 217 CO 0.05 -1.69 0.15 -0.70 -1.32 0.00 0.00 176.35 172.84 2rdx s GLU 218 N 5.16 4.19 -0.55 1.98 2.12 0.15 -1.08 118.70 130.67 2rdx s GLU 218 Ca 0.32 -0.20 -0.14 0.00 0.36 0.00 0.00 54.97 55.31 2rdx s GLU 218 Cb -0.11 -3.43 0.02 0.00 0.26 0.00 0.00 34.13 30.88 2rdx s GLU 218 CO 0.14 0.28 0.32 0.94 -0.54 0.00 0.00 175.26 176.40 2rdx n GLN 219 N 3.57 -0.66 -0.37 4.30 -0.06 0.63 -2.59 117.38 122.19 2rdx n GLN 219 Ca -0.16 -0.15 -0.02 0.00 -2.00 0.00 0.00 57.00 54.68 2rdx n GLN 219 Cb 0.52 -0.73 0.12 0.00 -4.06 0.00 0.00 30.24 26.09 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 0.37 1.31 -5.33 3.69 0.13 -1.86 -2.38 132.00 127.93 2rdx h PRO 220 Ca -0.34 -0.08 -0.60 0.00 -0.87 0.00 0.00 66.00 64.12 2rdx h PRO 220 Cb 0.67 -0.30 -0.13 0.00 0.13 0.00 0.00 31.00 31.37 2rdx h PRO 220 CO 0.23 0.87 -0.57 0.00 -0.23 0.00 0.00 178.00 178.31 2rdx h ARG 222 N 1.74 -0.45 -7.27 0.00 2.43 -1.80 -3.39 114.38 105.64 2rdx h ARG 222 Ca -0.42 0.03 -0.49 0.00 -0.81 0.00 0.00 59.98 58.29 2rdx h ARG 222 Cb 1.27 0.10 0.05 0.00 -0.42 0.00 0.00 29.97 30.97 2rdx h ARG 222 CO 0.73 -0.30 0.39 -1.54 -1.51 0.00 0.00 179.97 177.73 2rdx s SER 223 N -3.67 6.13 0.22 -3.80 1.04 -1.26 -4.63 113.70 107.74 2rdx s SER 223 Ca -0.07 1.58 -0.08 0.00 0.48 0.00 0.00 55.95 57.86 2rdx s SER 223 Cb 0.01 -2.50 0.28 0.00 0.10 0.00 0.00 66.02 63.91 2rdx s SER 223 CO 0.21 -0.93 1.82 0.22 0.98 0.00 0.00 173.24 175.54 2rdx h TYR 224 N 0.17 0.80 -0.44 5.02 3.20 -1.93 -2.36 116.97 121.43 2rdx h TYR 224 Ca -0.45 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.30 2rdx h TYR 224 Cb 1.20 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 2rdx h TYR 224 CO 0.63 0.39 -0.27 0.93 -1.64 0.00 0.00 178.16 178.21 2rdx h GLU 225 N 0.80 0.94 -0.34 1.82 3.07 -1.98 0.78 114.58 119.67 2rdx h GLU 225 Ca 0.33 -0.43 0.01 0.00 -0.50 0.00 0.00 59.36 58.77 2rdx h GLU 225 Cb 0.19 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 2rdx h GLU 225 CO -0.18 1.09 0.21 0.93 -1.40 0.00 0.00 179.01 179.66 2rdx h GLU 226 N 0.80 0.41 -0.97 2.33 5.08 -1.94 -0.52 114.58 119.77 2rdx h GLU 226 Ca 0.09 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2rdx h GLU 226 Cb 0.84 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.94 2rdx h GLU 226 CO 0.07 0.27 0.64 0.00 -1.00 0.00 0.00 179.01 178.99 2rdx h GLN 228 N 1.23 0.80 -0.79 0.00 1.08 -0.59 -1.08 115.11 115.76 2rdx h GLN 228 Ca 0.39 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2rdx h GLN 228 Cb -0.00 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.35 2rdx h GLN 228 CO -0.12 0.94 0.50 0.37 -0.95 0.00 0.00 178.83 179.57 2rdx h GLN 229 N 0.69 1.06 -0.42 1.46 4.15 -0.83 -1.53 115.11 119.70 2rdx h GLN 229 Ca 0.10 -0.08 -0.10 0.00 0.77 0.00 0.00 58.65 59.33 2rdx h GLN 229 Cb 0.74 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 2rdx h GLN 229 CO 0.06 0.72 -0.14 0.28 -1.93 0.00 0.00 178.83 177.82 2rdx h VAL 230 N 1.09 1.28 0.00 2.39 2.07 -1.09 -3.07 116.25 118.91 2rdx h VAL 230 Ca 0.29 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 2rdx h VAL 230 Cb -0.08 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2rdx h VAL 230 CO -0.06 0.43 -0.03 -0.09 0.02 0.00 0.00 177.57 177.83 2rdx h ARG 231 N 0.66 0.00 -0.79 1.57 2.43 -0.73 -0.78 114.38 116.74 2rdx h ARG 231 Ca 0.10 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.42 2rdx h ARG 231 Cb 0.69 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.18 2rdx h ARG 231 CO 0.05 0.03 0.52 -0.09 -1.51 0.00 0.00 179.97 178.98 2rdx h ARG 232 N 0.00 0.45 0.00 0.20 2.43 -1.19 -3.24 114.38 113.04 2rdx h ARG 232 Ca -0.00 -0.03 -0.32 0.00 -0.81 0.00 0.00 59.98 58.82 2rdx h ARG 232 Cb 0.16 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.55 2rdx h ARG 232 CO 0.00 0.30 -2.22 0.28 -1.51 0.00 0.00 179.97 176.82 2rdx n VAL 233 N -4.49 1.23 -2.77 0.20 0.31 -0.61 -4.97 118.33 107.23 2rdx n VAL 233 Ca 0.15 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.55 2rdx n VAL 233 Cb 0.53 -1.18 -0.03 0.00 -0.91 0.00 0.00 33.84 32.25 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 -2.43 3.54 -0.72 3.52 0.00 -0.40 -4.92 121.76 120.34 2rdx s ALA 234 Ca -0.27 -0.17 0.25 0.00 0.00 0.00 0.00 51.96 51.77 2rdx s ALA 234 Cb 0.07 -3.50 0.60 0.00 0.00 0.00 0.00 23.12 20.29 2rdx s ALA 234 CO 0.52 -1.31 1.55 -0.25 0.00 0.00 0.00 175.76 176.28 2rdx n ASP 235 N 6.52 0.69 -4.65 0.00 9.92 -1.26 -4.70 116.55 123.07 2rdx n ASP 235 Ca 0.09 0.31 -0.39 0.00 -0.53 0.00 0.00 54.79 54.27 2rdx n ASP 235 Cb 0.47 -0.27 0.04 0.00 -0.64 0.00 0.00 41.12 40.72 2rdx n ASP 235 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2rdx n GLN 236 N -2.10 1.26 -1.67 -1.24 3.00 -1.26 -4.90 117.38 110.47 2rdx n GLN 236 Ca 0.05 0.47 -0.50 0.00 -0.01 0.00 0.00 57.00 57.00 2rdx n GLN 236 Cb 0.42 -2.26 -0.05 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 -0.71 1.79 -3.71 -1.09 -0.02 -1.26 -4.79 135.00 125.20 2rdx n PRO 237 Ca 0.11 0.65 -0.36 0.00 -2.02 0.00 0.00 63.50 61.89 2rdx n PRO 237 Cb 0.44 -2.41 -0.07 0.00 -0.02 0.00 0.00 33.50 31.44 2rdx n PRO 237 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2rdx s MET 238 N 2.43 4.00 -0.20 -0.52 1.75 -1.26 -0.84 119.30 124.66 2rdx s MET 238 Ca 0.88 -0.10 -0.03 0.00 -1.25 0.00 0.00 55.69 55.20 2rdx s MET 238 Cb -0.81 -3.35 -0.01 0.00 2.84 0.00 0.00 34.83 33.50 2rdx s MET 238 CO 0.50 0.43 -0.06 0.21 -0.65 0.00 0.00 175.02 175.44 2rdx s LYS 239 N -0.04 3.40 -0.11 4.11 2.20 -0.24 -0.85 119.74 128.21 2rdx s LYS 239 Ca 0.12 -0.63 -0.04 0.00 -0.36 0.00 0.00 55.97 55.06 2rdx s LYS 239 Cb -0.12 -2.94 -0.04 0.00 -1.51 0.00 0.00 37.83 33.23 2rdx s LYS 239 CO 0.02 -0.09 0.06 -0.51 -0.36 0.00 0.00 175.35 174.47 2rdx s LEU 240 N 1.20 3.94 0.00 5.43 1.43 -0.62 -0.27 118.68 129.80 2rdx s LEU 240 Ca 0.02 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 2rdx s LEU 240 Cb -0.14 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.14 2rdx s LEU 240 CO -0.02 0.38 0.00 -0.67 0.23 0.00 0.00 176.35 176.27 2rdx n ASP 241 N 2.17 0.00 0.21 2.29 -0.08 -1.26 -0.01 116.55 119.87 2rdx n ASP 241 Ca -0.19 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.14 2rdx n ASP 241 Cb 0.54 0.00 0.47 0.00 2.34 0.00 0.00 41.12 44.47 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 -1.03 114.58 114.01 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 0.26 0.00 0.00 -1.40 0.00 0.00 179.01 177.87 2rdx s VAL 244 N -3.01 4.64 -2.01 0.00 1.01 -0.39 -4.77 120.40 115.86 2rdx s VAL 244 Ca 0.10 -2.15 0.25 0.00 0.00 0.00 0.00 61.98 60.18 2rdx s VAL 244 Cb 0.13 -4.99 0.17 0.00 0.00 0.00 0.00 36.38 31.69 2rdx s VAL 244 CO 0.39 -1.75 1.36 0.35 0.00 0.00 0.00 175.10 175.45 2rdx n THR 245 N 5.43 0.00 -3.85 3.92 -2.24 -1.26 -4.65 114.28 111.63 2rdx n THR 245 Ca 0.38 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2rdx n THR 245 Cb 0.45 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 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 1.36 -1.18 0.20 3.38 0.00 -1.26 -4.34 105.19 103.35 2rdx n GLY 246 Ca 0.12 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 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 0.54 -0.98 0.99 5.85 -1.94 -2.28 115.31 117.49 2rdx h LEU 247 Ca 0.00 -0.31 -0.11 0.00 0.84 0.00 0.00 57.88 58.31 2rdx h LEU 247 Cb 0.00 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2rdx h LEU 247 CO 0.00 1.02 -0.45 0.45 -0.34 0.00 0.00 178.44 179.12 2rdx h HIS 248 N 0.35 0.17 0.03 1.25 3.86 -1.99 0.31 115.15 119.13 2rdx h HIS 248 Ca -0.01 -0.05 -0.23 0.00 -1.16 0.00 0.00 60.37 58.93 2rdx h HIS 248 Cb 1.16 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 29.59 2rdx h HIS 248 CO 0.04 0.56 -0.99 1.98 0.86 0.00 0.00 177.93 180.39 2rdx h MET 249 N 0.12 0.32 -0.35 2.45 1.85 -1.91 -2.47 114.93 114.93 2rdx h MET 249 Ca 0.01 -0.38 -0.06 0.00 -0.61 0.00 0.00 59.70 58.65 2rdx h MET 249 Cb 0.84 0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.97 2rdx h MET 249 CO 0.06 1.09 -0.05 0.00 -0.40 0.00 0.00 176.91 177.62 2rdx h ALA 250 N 0.77 1.27 -0.46 0.39 0.00 -0.76 -0.19 119.26 120.27 2rdx h ALA 250 Ca -0.08 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2rdx h ALA 250 Cb 1.65 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 2rdx h ALA 250 CO 0.16 0.49 0.05 1.96 0.00 0.00 0.00 179.25 181.91 2rdx h GLN 251 N 0.53 0.78 -0.06 0.00 4.20 -0.41 -1.25 115.11 118.90 2rdx h GLN 251 Ca 0.11 -0.22 0.02 0.00 0.06 0.00 0.00 58.65 58.61 2rdx h GLN 251 Cb 0.41 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 2rdx h GLN 251 CO 0.02 0.81 -0.04 0.00 -0.67 0.00 0.00 178.83 178.96 2rdx h ARG 252 N 0.64 -0.04 -0.10 1.46 3.08 -1.18 -1.12 114.38 117.13 2rdx h ARG 252 Ca 0.14 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.20 2rdx h ARG 252 Cb 0.43 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2rdx h ARG 252 CO 0.01 -0.02 0.01 0.82 -1.07 0.00 0.00 179.97 179.72 2rdx h ILE 253 N -0.04 0.94 -0.39 2.04 2.04 -1.00 -1.93 117.51 119.18 2rdx h ILE 253 Ca 0.04 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.91 2rdx h ILE 253 Cb 0.09 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 2rdx h ILE 253 CO -0.08 0.01 0.19 0.58 0.00 0.00 0.00 178.15 178.84 2rdx h VAL 254 N 0.05 0.97 -0.97 1.67 2.07 -1.20 -0.14 116.25 118.69 2rdx h VAL 254 Ca 0.05 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.50 2rdx h VAL 254 Cb 0.05 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 2rdx h VAL 254 CO -0.07 0.07 0.62 0.00 0.02 0.00 0.00 177.57 178.21 2rdx h ALA 255 N 1.21 1.34 -0.00 1.67 0.00 -0.90 -1.35 119.26 121.23 2rdx h ALA 255 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2rdx h ALA 255 Cb 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2rdx h ALA 255 CO -0.12 0.42 -0.28 -0.25 0.00 0.00 0.00 179.25 179.02 2rdx n ASP 256 N -4.52 0.31 -4.04 0.00 8.00 -0.75 -4.95 116.55 110.60 2rdx n ASP 256 Ca 0.14 0.03 -0.45 0.00 0.71 0.00 0.00 54.79 55.23 2rdx n ASP 256 Cb 0.17 -0.06 0.02 0.00 -0.02 0.00 0.00 41.12 41.23 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 -1.47 -0.39 -0.60 -1.24 1.74 -0.22 -4.89 116.66 109.59 2rdx n ARG 257 Ca 0.06 0.12 0.09 0.00 -0.77 0.00 0.00 57.85 57.36 2rdx n ARG 257 Cb 0.34 -2.76 0.35 0.00 -1.02 0.00 0.00 32.46 29.37 2rdx n ARG 257 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rdx n GLY 258 N -2.06 2.62 3.47 -0.13 0.00 -0.33 -4.91 105.19 103.85 2rdx n GLY 258 Ca -0.11 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.84 -1.68 -0.12 4.61 0.00 -1.26 -4.94 121.76 116.52 2rdx s ALA 259 Ca 0.50 0.87 0.22 0.00 0.00 0.00 0.00 51.96 53.55 2rdx s ALA 259 Cb 0.32 0.48 -0.19 0.00 0.00 0.00 0.00 23.12 23.73 2rdx s ALA 259 CO 0.24 -0.59 0.71 0.39 0.00 0.00 0.00 175.76 176.51 2rdx n GLU 260 N 0.19 0.64 -3.81 0.00 4.71 -0.03 -4.92 120.64 117.41 2rdx n GLU 260 Ca -0.18 -0.04 -0.13 0.00 -0.01 0.00 0.00 57.16 56.80 2rdx n GLU 260 Cb 0.61 -1.66 -0.15 0.00 -1.01 0.00 0.00 31.44 29.24 2rdx n GLU 260 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2rdx s ILE 261 N -3.38 -0.03 -0.18 -3.67 1.01 -0.91 -4.05 121.20 110.00 2rdx s ILE 261 Ca -0.05 0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.67 2rdx s ILE 261 Cb 0.12 -0.10 -0.02 0.00 0.01 0.00 0.00 42.46 42.47 2rdx s ILE 261 CO 0.85 0.04 -0.05 0.00 0.00 0.00 0.00 174.94 175.78 2rdx s LEU 264 N 0.76 4.81 -0.31 0.00 1.43 0.67 -4.60 118.68 121.44 2rdx s LEU 264 Ca 0.24 -1.95 -0.15 0.00 -1.03 0.00 0.00 54.13 51.25 2rdx s LEU 264 Cb -0.15 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2rdx s LEU 264 CO 0.09 -0.43 0.35 -0.54 0.23 0.00 0.00 176.35 176.05 2rdx s LYS 265 N 1.06 3.79 0.24 1.70 1.02 -1.26 -0.99 119.74 125.31 2rdx s LYS 265 Ca 0.07 -0.22 -0.05 0.00 0.02 0.00 0.00 55.97 55.79 2rdx s LYS 265 Cb -0.21 -3.73 0.46 0.00 -0.52 0.00 0.00 37.83 33.83 2rdx s LYS 265 CO -0.05 -0.39 1.68 0.82 -0.92 0.00 0.00 175.35 176.49 2rdx h ILE 266 N 5.46 0.48 0.00 2.17 2.04 -1.63 0.00 117.51 126.03 2rdx h ILE 266 Ca -0.31 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2rdx h ILE 266 Cb 1.16 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2rdx h ILE 266 CO 0.66 0.04 -0.13 0.28 0.00 0.00 0.00 178.15 179.00 2rdx h SER 267 N 0.23 0.00 1.12 1.72 0.02 -1.89 0.17 113.55 114.93 2rdx h SER 267 Ca 0.42 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.29 2rdx h SER 267 Cb 0.72 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 2rdx h SER 267 CO -0.54 0.00 -0.34 -1.13 -1.14 0.00 0.00 176.83 173.68 2rdx h ASN 268 N 0.00 0.00 0.05 3.07 -1.24 -1.41 -3.03 115.58 113.02 2rdx h ASN 268 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2rdx h ASN 268 Cb 0.99 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.04 2rdx h ASN 268 CO 0.00 0.34 -0.10 0.18 -1.29 0.00 0.00 177.43 176.56 2rdx n LEU 269 N -3.36 1.62 0.00 0.34 4.77 -0.66 -4.56 117.00 115.14 2rdx n LEU 269 Ca 0.01 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 2rdx n LEU 269 Cb 0.55 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2rdx n LEU 269 CO 0.37 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2rdx n GLY 270 N 1.26 0.62 0.00 -0.72 0.00 -1.05 -4.44 105.19 100.85 2rdx n GLY 270 Ca 0.16 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2rdx n GLY 270 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rdx n GLY 271 N -2.14 2.74 0.37 -0.02 0.00 0.59 -4.26 105.19 102.47 2rdx n GLY 271 Ca 0.00 -2.03 0.15 0.00 0.00 0.00 0.00 46.02 44.13 2rdx n GLY 271 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2rdx h LEU 272 N 0.00 0.39 0.14 0.99 5.85 -1.83 0.19 115.31 121.05 2rdx h LEU 272 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2rdx h LEU 272 Cb 0.00 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2rdx h LEU 272 CO 0.00 0.21 -0.07 0.28 -0.34 0.00 0.00 178.44 178.52 2rdx h SER 273 N 0.42 -0.16 0.36 1.25 0.02 -1.91 -0.06 113.55 113.48 2rdx h SER 273 Ca 0.35 -0.29 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 2rdx h SER 273 Cb 0.79 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 2rdx h SER 273 CO -0.11 0.22 -0.45 0.11 -1.14 0.00 0.00 176.83 175.46 2rdx h LYS 274 N -0.57 0.11 -0.45 3.45 1.57 -1.73 -2.69 116.57 116.25 2rdx h LYS 274 Ca -0.02 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 2rdx h LYS 274 Cb 0.44 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 2rdx h LYS 274 CO 0.03 0.54 0.13 0.00 -0.57 0.00 0.00 179.45 179.59 2rdx h ALA 275 N 1.45 0.60 -0.23 3.86 0.00 -0.50 -1.49 119.26 122.95 2rdx h ALA 275 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 2rdx h ALA 275 Cb 0.84 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2rdx h ALA 275 CO 0.06 0.26 -0.28 0.07 0.00 0.00 0.00 179.25 179.36 2rdx h ARG 276 N 0.60 0.45 -0.32 0.00 -0.00 -0.92 -1.30 114.38 112.89 2rdx h ARG 276 Ca 0.15 -0.18 -0.15 0.00 -0.00 0.00 0.00 59.98 59.79 2rdx h ARG 276 Cb 0.28 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.22 2rdx h ARG 276 CO -0.00 0.69 -0.41 0.00 -0.00 0.00 0.00 179.97 180.25 2rdx h ARG 277 N 0.39 0.79 -0.29 0.08 3.08 -1.29 -1.30 114.38 115.85 2rdx h ARG 277 Ca 0.05 -0.42 -0.07 0.00 0.07 0.00 0.00 59.98 59.61 2rdx h ARG 277 Cb 0.70 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2rdx h ARG 277 CO 0.05 1.05 -0.10 1.15 -1.07 0.00 0.00 179.97 181.05 2rdx h THR 278 N 0.64 1.29 -0.45 2.04 2.02 -1.17 -2.16 112.91 115.12 2rdx h THR 278 Ca 0.05 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 2rdx h THR 278 Cb 0.98 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 2rdx h THR 278 CO 0.09 0.37 0.27 -0.09 0.37 0.00 0.00 175.52 176.54 2rdx h ARG 279 N 0.33 0.61 -0.55 6.66 2.43 -1.18 -1.84 114.38 120.85 2rdx h ARG 279 Ca 0.07 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 2rdx h ARG 279 Cb 0.60 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 2rdx h ARG 279 CO 0.03 0.45 0.08 -0.44 -1.51 0.00 0.00 179.97 178.58 2rdx h ASP 280 N 0.60 0.83 -0.58 -3.80 3.32 -1.24 0.15 116.42 115.71 2rdx h ASP 280 Ca 0.16 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 2rdx h ASP 280 Cb -0.01 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 2rdx h ASP 280 CO -0.03 0.85 0.25 0.15 -1.72 0.00 0.00 179.24 178.74 2rdx h PHE 281 N 0.83 0.86 -0.17 4.55 3.57 -1.26 -1.35 116.94 123.97 2rdx h PHE 281 Ca 0.17 -0.05 -0.19 0.00 3.53 0.00 0.00 57.97 61.43 2rdx h PHE 281 Cb 0.38 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 2rdx h PHE 281 CO 0.02 0.68 -0.65 -0.07 -2.23 0.00 0.00 178.31 176.06 2rdx h LEU 282 N 0.79 0.75 -0.71 0.59 3.38 -0.90 -2.34 115.31 116.85 2rdx h LEU 282 Ca 0.19 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 2rdx h LEU 282 Cb 0.17 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2rdx h LEU 282 CO -0.02 1.20 0.11 0.40 0.09 0.00 0.00 178.44 180.22 2rdx h ILE 283 N 0.47 1.26 0.00 1.22 1.08 -0.95 0.11 117.51 120.70 2rdx h ILE 283 Ca -0.02 -1.03 -0.03 0.00 -0.39 0.00 0.00 64.86 63.39 2rdx h ILE 283 Cb 1.24 0.63 -0.00 0.00 -3.07 0.00 0.00 36.82 35.62 2rdx h ILE 283 CO 0.13 0.39 -0.13 0.44 -0.69 0.00 0.00 178.15 178.28 2rdx h ASP 284 N 1.03 0.00 -0.67 1.72 3.32 -1.18 -1.09 116.42 119.55 2rdx h ASP 284 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2rdx h ASP 284 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 2rdx h ASP 284 CO 0.01 0.13 0.00 0.59 -1.72 0.00 0.00 179.24 178.25 2rdx n ASN 285 N -3.58 3.75 -3.58 6.45 3.02 -0.80 -4.97 115.26 115.55 2rdx n ASN 285 Ca -0.01 -2.00 -0.23 0.00 -0.03 0.00 0.00 54.58 52.31 2rdx n ASN 285 Cb 0.27 -0.44 0.08 0.00 -0.61 0.00 0.00 39.78 39.07 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 1.56 -7.53 -3.62 3.52 1.74 0.01 -5.00 116.66 107.34 2rdx n ARG 286 Ca 0.23 0.82 -0.37 0.00 -0.77 0.00 0.00 57.85 57.76 2rdx n ARG 286 Cb 0.60 -5.85 -0.10 0.00 -1.02 0.00 0.00 32.46 26.08 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 -6.12 4.02 0.27 5.56 1.75 0.16 -5.00 119.30 119.94 2rdx s MET 287 Ca 0.45 -0.27 -0.30 0.00 -1.25 0.00 0.00 55.69 54.32 2rdx s MET 287 Cb -0.20 -3.59 -0.13 0.00 2.84 0.00 0.00 34.83 33.75 2rdx s MET 287 CO 0.74 -0.05 1.48 -2.30 -0.65 0.00 0.00 175.02 174.24 2rdx n PRO 288 N 4.63 2.34 -4.30 4.11 -0.02 -1.26 -4.28 135.00 136.22 2rdx n PRO 288 Ca -0.14 0.83 -0.19 0.00 -2.02 0.00 0.00 63.50 61.98 2rdx n PRO 288 Cb 0.52 -2.54 -0.11 0.00 -0.02 0.00 0.00 33.50 31.35 2rdx n PRO 288 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2rdx s VAL 289 N -0.12 1.57 -0.12 -1.45 -7.23 -0.19 -0.84 120.40 112.02 2rdx s VAL 289 Ca 0.65 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.84 2rdx s VAL 289 Cb -0.57 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 2rdx s VAL 289 CO 0.50 -0.49 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.03 2rdx s VAL 290 N -2.53 3.49 -0.33 1.32 1.01 -0.43 -0.21 120.40 122.73 2rdx s VAL 290 Ca 0.16 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 2rdx s VAL 290 Cb -0.03 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.90 2rdx s VAL 290 CO 0.05 0.54 0.11 0.00 0.00 0.00 0.00 175.10 175.79 2rdx s ALA 291 N -0.02 3.08 0.00 5.51 0.00 -1.07 -0.24 121.76 129.03 2rdx s ALA 291 Ca -0.01 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.32 2rdx s ALA 291 Cb -0.14 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.73 2rdx s ALA 291 CO 0.03 -1.19 0.00 -0.85 0.00 0.00 0.00 175.76 173.76 2rdx n GLU 292 N 4.85 0.00 -3.97 0.00 0.28 -0.16 -4.26 120.64 117.38 2rdx n GLU 292 Ca -0.13 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.76 2rdx n GLU 292 Cb 0.46 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.30 2rdx n GLU 292 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2rdx s ASP 293 N 1.92 0.21 0.08 -1.84 2.15 -1.26 -1.55 116.67 116.38 2rdx s ASP 293 Ca 0.00 -1.11 -0.33 0.00 0.43 0.00 0.00 52.55 51.54 2rdx s ASP 293 Cb 0.00 0.68 -0.17 0.00 -0.30 0.00 0.00 42.92 43.14 2rdx s ASP 293 CO 0.00 -1.33 1.61 0.77 -0.17 0.00 0.00 175.17 176.05 2rdx h SER 294 N 2.13 -0.95 -5.60 -0.34 4.64 -1.90 -3.47 113.55 108.06 2rdx h SER 294 Ca -0.27 0.06 0.26 0.00 -0.47 0.00 0.00 61.79 61.36 2rdx h SER 294 Cb 1.25 0.29 -0.09 0.00 -0.31 0.00 0.00 62.40 63.54 2rdx h SER 294 CO 0.36 -0.57 0.70 0.86 -0.87 0.00 0.00 176.83 177.31 2rdx s TRP 295 N -6.01 -0.03 -3.48 4.77 -0.11 -1.14 -4.47 118.94 108.47 2rdx s TRP 295 Ca -0.18 -0.18 0.00 0.00 1.22 0.00 0.00 56.10 56.96 2rdx s TRP 295 Cb 0.04 0.60 0.00 0.00 -1.50 0.00 0.00 33.47 32.62 2rdx s TRP 295 CO 0.62 -0.54 0.00 0.41 -4.62 0.00 0.00 176.95 172.82 2rdx n GLY 296 N -0.58 0.89 0.00 5.86 0.00 -1.26 -4.21 105.19 105.89 2rdx n GLY 296 Ca -0.05 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.92 2rdx n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rdx n GLY 297 N -0.96 1.62 0.23 -0.02 0.00 -1.26 -2.90 105.19 101.90 2rdx n GLY 297 Ca 0.00 -1.89 0.06 0.00 0.00 0.00 0.00 46.02 44.20 2rdx n GLY 297 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2rdx h GLU 298 N 0.00 0.00 -0.07 1.61 3.07 -1.90 -1.11 114.58 116.17 2rdx h GLU 298 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 2rdx h GLU 298 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2rdx h GLU 298 CO 0.00 0.19 -0.24 0.82 -1.40 0.00 0.00 179.01 178.38 2rdx h ILE 299 N 0.00 1.42 -0.68 3.13 2.04 -1.91 -0.90 117.51 120.62 2rdx h ILE 299 Ca -0.00 -1.63 -0.04 0.00 1.00 0.00 0.00 64.86 64.19 2rdx h ILE 299 Cb 0.36 2.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 2rdx h ILE 299 CO 0.02 0.46 0.26 0.00 0.00 0.00 0.00 178.15 178.90 2rdx h ALA 300 N 0.45 0.89 0.00 1.87 0.00 -1.79 -3.07 119.26 117.61 2rdx h ALA 300 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2rdx h ALA 300 Cb 0.87 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2rdx h ALA 300 CO 0.05 0.52 -0.25 0.77 0.00 0.00 0.00 179.25 180.34 2rdx h SER 301 N 0.98 0.00 -0.30 0.00 0.02 -1.20 -2.21 113.55 110.84 2rdx h SER 301 Ca 0.23 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.10 2rdx h SER 301 Cb 0.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2rdx h SER 301 CO -0.02 0.25 -0.11 0.00 -1.14 0.00 0.00 176.83 175.82 2rdx h ALA 302 N 1.75 0.42 -0.49 3.77 0.00 -1.07 -1.62 119.26 122.02 2rdx h ALA 302 Ca -0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2rdx h ALA 302 Cb 0.66 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2rdx h ALA 302 CO 0.03 0.28 0.13 0.00 0.00 0.00 0.00 179.25 179.70 2rdx h ALA 303 N 0.77 0.64 -0.35 0.00 0.00 -1.47 -2.18 119.26 116.68 2rdx h ALA 303 Ca 0.07 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2rdx h ALA 303 Cb 0.61 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2rdx h ALA 303 CO 0.04 0.32 0.05 0.28 0.00 0.00 0.00 179.25 179.94 2rdx h VAL 304 N 0.66 0.81 -0.34 0.00 2.07 -1.38 -0.95 116.25 117.12 2rdx h VAL 304 Ca 0.16 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 2rdx h VAL 304 Cb 0.30 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2rdx h VAL 304 CO -0.00 0.03 -0.14 0.00 0.02 0.00 0.00 177.57 177.48 2rdx h ALA 305 N 1.27 1.12 -0.06 1.67 0.00 -1.09 0.16 119.26 122.33 2rdx h ALA 305 Ca 0.16 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 2rdx h ALA 305 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2rdx h ALA 305 CO -0.23 0.55 -0.57 0.45 0.00 0.00 0.00 179.25 179.46 2rdx h HIS 306 N 0.55 0.22 -0.21 0.00 3.86 -1.23 -0.73 115.15 117.61 2rdx h HIS 306 Ca 0.10 -0.08 -0.07 0.00 -1.16 0.00 0.00 60.37 59.16 2rdx h HIS 306 Cb 0.56 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.99 2rdx h HIS 306 CO 0.02 0.70 -0.14 0.35 0.86 0.00 0.00 177.93 179.72 2rdx h PHE 307 N 0.13 0.55 -0.29 2.45 3.57 -0.46 -2.96 116.94 119.94 2rdx h PHE 307 Ca -0.00 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 2rdx h PHE 307 Cb 1.04 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 2rdx h PHE 307 CO 0.01 0.78 0.09 0.00 -2.23 0.00 0.00 178.31 176.96 2rdx h ALA 308 N 0.68 0.37 0.00 2.41 0.00 -0.66 -3.13 119.26 118.93 2rdx h ALA 308 Ca 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2rdx h ALA 308 Cb 0.65 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2rdx h ALA 308 CO 0.04 0.01 -0.03 0.00 0.00 0.00 0.00 179.25 179.27 2rdx h ALA 309 N 0.92 1.57 -0.71 0.00 0.00 -1.15 -1.69 119.26 118.20 2rdx h ALA 309 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2rdx h ALA 309 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2rdx h ALA 309 CO -0.00 0.04 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 2rdx n SER 310 N -3.96 3.87 -4.71 0.00 3.41 -1.12 -0.64 113.62 110.47 2rdx n SER 310 Ca -0.03 -2.00 -0.37 0.00 -0.26 0.00 0.00 58.87 56.21 2rdx n SER 310 Cb 0.12 -0.47 -0.07 0.00 -0.26 0.00 0.00 64.21 63.53 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 -1.06 5.28 -0.09 6.66 2.01 -0.64 -4.74 115.64 123.07 2rdx s THR 311 Ca 0.48 0.61 -0.37 0.00 0.31 0.00 0.00 61.69 62.72 2rdx s THR 311 Cb 0.25 -3.67 -0.15 0.00 0.01 0.00 0.00 72.50 68.94 2rdx s THR 311 CO 0.33 0.36 1.63 -2.65 -0.69 0.00 0.00 174.62 173.59 2rdx n PRO 312 N 3.76 1.44 0.29 4.92 -0.02 -1.26 -3.42 135.00 140.70 2rdx n PRO 312 Ca -0.11 0.52 0.14 0.00 -2.02 0.00 0.00 63.50 62.04 2rdx n PRO 312 Cb 0.52 -2.23 0.86 0.00 -0.02 0.00 0.00 33.50 32.63 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 6.59 0.00 -0.09 -0.52 4.11 -1.80 -1.52 114.58 121.35 2rdx h GLU 313 Ca -0.47 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.91 2rdx h GLU 313 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2rdx h GLU 313 CO 0.89 0.04 -0.16 0.93 0.07 0.00 0.00 179.01 180.78 2rdx h GLU 314 N 0.00 0.15 -0.01 1.06 3.07 -1.89 -3.25 114.58 113.71 2rdx h GLU 314 Ca -0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2rdx h GLU 314 Cb 0.10 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2rdx h GLU 314 CO 0.00 0.32 -0.24 1.19 -1.40 0.00 0.00 179.01 178.89 2rdx n PHE 315 N -4.28 0.00 -2.98 4.33 3.72 -0.67 -4.94 117.46 112.64 2rdx n PHE 315 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 2rdx n PHE 315 Cb 0.27 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.76 2rdx n PHE 315 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2rdx s LEU 316 N -1.72 4.11 -0.08 4.37 2.96 -0.66 -1.02 118.68 126.64 2rdx s LEU 316 Ca 0.07 0.54 -0.09 0.00 -0.22 0.00 0.00 54.13 54.43 2rdx s LEU 316 Cb 0.08 -3.01 -0.07 0.00 0.50 0.00 0.00 46.19 43.69 2rdx s LEU 316 CO 0.26 -0.61 0.36 0.40 -1.32 0.00 0.00 176.35 175.44 2rdx h ILE 317 N 5.62 0.24 -3.06 6.68 1.08 -0.93 -3.47 117.51 123.67 2rdx h ILE 317 Ca -0.25 -1.00 -0.01 0.00 -0.39 0.00 0.00 64.86 63.21 2rdx h ILE 317 Cb 1.10 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.27 2rdx h ILE 317 CO 0.87 0.07 0.23 0.54 -0.69 0.00 0.00 178.15 179.18 2rdx s ASN 318 N -5.40 -0.02 0.10 1.72 2.20 -1.26 -4.69 114.94 107.59 2rdx s ASN 318 Ca -0.05 -1.02 0.02 0.00 -0.94 0.00 0.00 52.86 50.86 2rdx s ASN 318 Cb 0.00 0.81 -0.01 0.00 -2.00 0.00 0.00 41.25 40.05 2rdx s ASN 318 CO 0.18 -1.58 0.08 -0.24 -2.94 0.00 0.00 177.10 172.61 2rdx n SER 319 N -1.15 -0.11 -3.86 3.54 2.88 0.44 -2.58 113.62 112.78 2rdx n SER 319 Ca -0.07 -1.67 -0.11 0.00 -1.33 0.00 0.00 58.87 55.69 2rdx n SER 319 Cb 0.60 0.50 -0.09 0.00 -0.75 0.00 0.00 64.21 64.46 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 -2.38 0.10 -1.16 2.46 -1.32 -1.26 -3.88 115.64 108.20 2rdx s THR 320 Ca 0.12 -0.79 -0.11 0.00 -1.21 0.00 0.00 61.69 59.70 2rdx s THR 320 Cb 0.01 -0.64 0.24 0.00 -1.51 0.00 0.00 72.50 70.59 2rdx s THR 320 CO 0.08 -0.43 1.29 -0.90 -2.21 0.00 0.00 174.62 172.45 2rdx n ASP 321 N 1.13 5.45 -0.32 8.08 5.75 -1.26 -4.88 116.55 130.50 2rdx n ASP 321 Ca -0.21 -3.04 0.03 0.00 -0.01 0.00 0.00 54.79 51.56 2rdx n ASP 321 Cb 0.57 -1.45 0.22 0.00 -1.03 0.00 0.00 41.12 39.43 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 7.79 0.95 -2.24 -2.12 3.38 -1.91 -2.30 115.31 118.86 2rdx h LEU 322 Ca 0.24 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 2rdx h LEU 322 Cb 0.85 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2rdx h LEU 322 CO 1.15 0.61 -0.02 0.00 0.09 0.00 0.00 178.44 180.27 2rdx h MET 323 N 1.08 0.00 -0.01 1.13 -0.00 -1.71 -2.39 114.93 113.03 2rdx h MET 323 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.10 2rdx h MET 323 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.77 2rdx h MET 323 CO -0.15 0.02 -0.01 0.09 -0.00 0.00 0.00 176.91 176.86 2rdx n ASN 324 N -4.07 0.62 -0.02 -0.10 3.02 -0.87 -3.35 115.26 110.49 2rdx n ASN 324 Ca -0.03 -1.16 0.13 0.00 -0.03 0.00 0.00 54.58 53.48 2rdx n ASN 324 Cb 0.10 -0.01 0.39 0.00 -0.61 0.00 0.00 39.78 39.66 2rdx n ASN 324 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2rdx n TYR 325 N -0.54 0.00 -4.42 3.10 4.02 -0.90 -4.92 117.16 113.50 2rdx n TYR 325 Ca 0.21 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.86 2rdx n TYR 325 Cb 0.22 -0.31 -0.09 0.00 -0.02 0.00 0.00 39.34 39.14 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 -2.93 3.92 0.00 7.72 0.01 -1.21 -1.07 114.94 121.38 2rdx s ASN 326 Ca 0.14 -0.99 0.24 0.00 -0.71 0.00 0.00 52.86 51.53 2rdx s ASN 326 Cb 0.18 -0.46 0.22 0.00 0.41 0.00 0.00 41.25 41.60 2rdx s ASN 326 CO 0.62 -0.09 1.23 0.35 -1.51 0.00 0.00 177.10 177.71 2rdx n THR 327 N -0.79 0.00 -4.34 1.60 -2.24 -0.69 -4.73 114.28 103.09 2rdx n THR 327 Ca -0.05 -0.24 -0.18 0.00 -2.27 0.00 0.00 64.05 61.31 2rdx n THR 327 Cb 0.61 1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 69.78 2rdx n THR 327 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2rdx s ARG 328 N -2.45 1.50 0.19 -0.78 0.52 -1.26 -4.99 118.95 111.67 2rdx s ARG 328 Ca 0.21 -1.83 0.10 0.00 -0.52 0.00 0.00 55.73 53.69 2rdx s ARG 328 Cb 0.19 -0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.32 2rdx s ARG 328 CO 0.54 -0.33 -0.20 -1.12 0.02 0.00 0.00 175.30 174.21 2rdx s SER 329 N -3.36 3.04 -0.01 0.23 0.01 -1.26 -4.93 113.70 107.43 2rdx s SER 329 Ca 0.37 -0.88 0.05 0.00 1.31 0.00 0.00 55.95 56.79 2rdx s SER 329 Cb 0.07 -0.21 -0.08 0.00 0.21 0.00 0.00 66.02 66.02 2rdx s SER 329 CO 0.15 0.03 0.12 0.35 0.41 0.00 0.00 173.24 174.29 2rdx n THR 330 N 0.18 0.00 -4.03 1.44 -2.24 -1.26 -4.66 114.28 103.72 2rdx n THR 330 Ca -0.12 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.42 2rdx n THR 330 Cb 0.57 0.45 -0.08 0.00 -2.10 0.00 0.00 70.33 69.16 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 -2.47 0.65 -0.27 3.38 0.00 -1.26 -1.62 107.32 105.73 2rdx s GLY 331 Ca -0.01 -1.09 -0.06 0.00 0.00 0.00 0.00 44.72 43.55 2rdx s GLY 331 CO 0.21 -1.03 0.04 1.08 0.00 0.00 0.00 173.10 173.41 2rdx s LEU 332 N -2.99 3.55 0.00 0.66 1.02 0.60 -4.62 118.68 116.89 2rdx s LEU 332 Ca 0.19 -0.58 0.00 0.00 0.02 0.00 0.00 54.13 53.76 2rdx s LEU 332 Cb 0.05 -1.84 0.00 0.00 0.02 0.00 0.00 46.19 44.42 2rdx s LEU 332 CO 0.00 -0.13 0.00 0.61 0.02 0.00 0.00 176.35 176.85 2rdx n GLY 333 N 4.85 0.97 3.04 -3.19 0.00 -1.26 -2.10 105.19 107.49 2rdx n GLY 333 Ca -0.16 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2rdx n GLY 333 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rdx n GLY 334 N 0.00 -1.85 3.82 -0.02 0.00 -0.81 -4.89 105.19 101.44 2rdx n GLY 334 Ca 0.00 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 2rdx n GLY 334 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rdx s PRO 335 N 0.00 0.36 0.24 1.61 0.04 -1.26 -4.75 135.00 131.25 2rdx s PRO 335 Ca 0.00 -0.16 0.06 0.00 0.04 0.00 0.00 61.00 60.94 2rdx s PRO 335 Cb 0.00 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.70 2rdx s PRO 335 CO 0.00 -2.64 -0.07 0.95 0.04 0.00 0.00 177.00 175.28 2rdx s THR 336 N -3.54 1.52 -0.08 1.26 -4.23 -0.60 -4.98 115.64 105.00 2rdx s THR 336 Ca 0.70 -2.13 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 2rdx s THR 336 Cb -0.08 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.48 2rdx s THR 336 CO 0.53 -0.41 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.31 2rdx s VAL 337 N -3.10 1.78 -0.10 2.29 1.01 -1.26 -0.45 120.40 120.57 2rdx s VAL 337 Ca 0.27 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 2rdx s VAL 337 Cb 0.03 -1.54 0.05 0.00 0.00 0.00 0.00 36.38 34.91 2rdx s VAL 337 CO 0.09 0.50 0.21 -2.28 0.00 0.00 0.00 175.10 173.62 2rdx s HIS 338 N 0.33 -0.28 -1.60 5.22 5.04 -0.65 -4.92 115.29 118.42 2rdx s HIS 338 Ca -0.15 0.74 -0.13 0.00 -1.54 0.00 0.00 55.06 53.97 2rdx s HIS 338 Cb -0.16 -0.09 0.11 0.00 0.04 0.00 0.00 32.58 32.48 2rdx s HIS 338 CO 0.06 -0.27 0.75 1.04 -2.34 0.00 0.00 174.74 173.99 2rdx n GLN 339 N 4.86 -3.74 -0.97 2.88 6.02 -1.26 -1.63 117.38 123.54 2rdx n GLN 339 Ca -0.14 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.28 2rdx n GLN 339 Cb 0.51 -5.07 0.00 0.00 1.02 0.00 0.00 30.24 26.70 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 -1.59 0.45 3.21 1.08 0.00 -1.05 -4.46 105.19 102.84 2rdx n GLY 340 Ca -0.02 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.12 1.56 -0.21 1.61 0.52 -0.65 -2.61 118.95 118.05 2rdx s ARG 341 Ca 0.00 -0.75 -0.18 0.00 -0.52 0.00 0.00 55.73 54.28 2rdx s ARG 341 Cb 0.00 -1.53 -0.03 0.00 0.52 0.00 0.00 34.95 33.90 2rdx s ARG 341 CO 0.00 0.42 0.50 -1.17 0.02 0.00 0.00 175.30 175.07 2rdx s LEU 342 N -0.60 4.13 -0.18 2.53 0.20 0.01 -1.64 118.68 123.13 2rdx s LEU 342 Ca 0.08 0.63 -0.01 0.00 0.69 0.00 0.00 54.13 55.52 2rdx s LEU 342 Cb -0.08 -2.68 -0.00 0.00 -0.43 0.00 0.00 46.19 43.01 2rdx s LEU 342 CO -0.00 -0.18 -0.12 -0.31 -0.29 0.00 0.00 176.35 175.44 2rdx s TYR 343 N 1.69 2.85 0.78 5.38 2.02 0.40 -1.48 117.35 129.00 2rdx s TYR 343 Ca 0.23 -1.11 -0.11 0.00 -0.37 0.00 0.00 57.07 55.72 2rdx s TYR 343 Cb -0.15 -1.97 0.06 0.00 -0.40 0.00 0.00 41.96 39.49 2rdx s TYR 343 CO 0.09 -0.56 1.09 0.00 -1.57 0.00 0.00 175.55 174.61 2rdx s ALA 344 N 1.13 2.22 0.56 3.71 0.00 -1.26 -1.55 121.76 126.56 2rdx s ALA 344 Ca 0.01 0.26 -0.14 0.00 0.00 0.00 0.00 51.96 52.09 2rdx s ALA 344 Cb -0.14 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.64 2rdx s ALA 344 CO -0.04 -1.80 1.00 -1.12 0.00 0.00 0.00 175.76 173.80 2rdx s SER 345 N -3.38 6.44 0.00 0.00 0.01 -1.26 -4.87 113.70 110.63 2rdx s SER 345 Ca 0.61 1.52 0.13 0.00 1.31 0.00 0.00 55.95 59.52 2rdx s SER 345 Cb -0.17 -2.49 0.01 0.00 0.21 0.00 0.00 66.02 63.57 2rdx s SER 345 CO 0.56 -0.72 0.75 0.47 0.41 0.00 0.00 173.24 174.71 2rdx n ASP 346 N -2.04 1.47 -4.87 2.44 8.00 -1.26 -4.85 116.55 115.44 2rdx n ASP 346 Ca 0.06 -1.23 -0.31 0.00 0.71 0.00 0.00 54.79 54.02 2rdx n ASP 346 Cb 0.54 0.42 0.02 0.00 -0.02 0.00 0.00 41.12 42.08 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 -1.55 4.37 0.37 -3.53 -4.23 -1.26 -4.31 115.64 105.50 2rdx s THR 347 Ca 0.11 0.77 -0.28 0.00 -1.18 0.00 0.00 61.69 61.11 2rdx s THR 347 Cb 0.10 -3.74 -0.11 0.00 1.34 0.00 0.00 72.50 70.09 2rdx s THR 347 CO 0.30 -1.01 1.37 -2.65 -0.54 0.00 0.00 174.62 172.10 2rdx n PRO 348 N -2.84 2.33 0.00 3.99 -0.02 -1.26 -3.52 135.00 133.68 2rdx n PRO 348 Ca 0.06 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2rdx n PRO 348 Cb 0.55 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 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 0.64 -0.30 0.22 -1.23 0.00 -0.44 -3.97 105.19 100.11 2rdx n GLY 349 Ca 0.03 -1.17 0.12 0.00 0.00 0.00 0.00 46.02 45.00 2rdx n GLY 349 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2rdx h LEU 350 N 0.00 0.00 0.00 0.99 3.38 -1.84 -2.06 115.31 115.78 2rdx h LEU 350 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2rdx h LEU 350 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2rdx h LEU 350 CO 0.00 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.19 2rdx n GLY 351 N 0.87 0.49 3.19 0.83 0.00 -1.25 -4.79 105.19 104.52 2rdx n GLY 351 Ca 0.03 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 2rdx n GLY 351 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rdx s VAL 352 N -2.00 0.03 0.27 1.61 0.11 -1.26 -1.91 120.40 117.24 2rdx s VAL 352 Ca 0.00 -0.24 0.12 0.00 -2.93 0.00 0.00 61.98 58.93 2rdx s VAL 352 Cb 0.00 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.32 2rdx s VAL 352 CO 0.00 -0.13 -0.18 0.42 -3.33 0.00 0.00 175.10 171.88 2rdx s THR 353 N -0.52 2.59 0.13 5.04 -4.23 -0.89 -4.82 115.64 112.94 2rdx s THR 353 Ca -0.06 -2.31 -0.30 0.00 -1.18 0.00 0.00 61.69 57.83 2rdx s THR 353 Cb -0.04 -2.35 -0.07 0.00 1.34 0.00 0.00 72.50 71.38 2rdx s THR 353 CO 0.02 -0.37 1.24 -2.84 -0.54 0.00 0.00 174.62 172.13 2rdx s PRO 354 N -3.44 4.44 -1.22 3.99 0.02 -1.26 -0.29 135.00 137.23 2rdx s PRO 354 Ca 0.29 1.88 -0.20 0.00 0.02 0.00 0.00 61.00 62.99 2rdx s PRO 354 Cb -0.05 -3.28 0.03 0.00 0.02 0.00 0.00 34.50 31.21 2rdx s PRO 354 CO 0.15 -0.22 1.75 0.34 -0.33 0.00 0.00 177.00 178.70 2rdx s ASP 355 N 0.64 6.31 0.53 2.53 -1.08 -0.64 -4.70 116.67 120.26 2rdx s ASP 355 Ca 0.57 -2.06 0.18 0.00 -0.52 0.00 0.00 52.55 50.73 2rdx s ASP 355 Cb -0.32 -2.58 1.32 0.00 -1.46 0.00 0.00 42.92 39.87 2rdx s ASP 355 CO 0.33 -1.72 2.13 -0.26 0.52 0.00 0.00 175.17 176.17 2rdx h PHE 356 N 8.53 0.00 -0.30 -5.34 0.04 -1.91 -1.71 116.94 116.25 2rdx h PHE 356 Ca 0.35 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.96 2rdx h PHE 356 Cb 0.91 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 2rdx h PHE 356 CO 1.35 0.00 -0.45 -0.97 -0.60 0.00 0.00 178.31 177.64 2rdx h ASN 357 N 0.00 0.84 0.22 2.17 -1.24 -1.90 -2.14 115.58 113.54 2rdx h ASN 357 Ca 0.04 -0.41 -0.23 0.00 0.71 0.00 0.00 56.30 56.41 2rdx h ASN 357 Cb 0.16 -0.24 0.01 0.00 0.73 0.00 0.00 38.32 38.97 2rdx h ASN 357 CO -0.00 1.16 -0.91 0.28 -1.29 0.00 0.00 177.43 176.67 2rdx h SER 358 N 0.62 0.63 0.57 1.15 0.02 -1.71 -3.32 113.55 111.52 2rdx h SER 358 Ca 0.04 -0.48 -0.12 0.00 -0.84 0.00 0.00 61.79 60.38 2rdx h SER 358 Cb 1.02 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 2rdx h SER 358 CO 0.10 1.27 -0.58 -0.07 -1.14 0.00 0.00 176.83 176.41 2rdx h LEU 359 N 0.29 0.01 0.00 5.07 3.38 -1.31 -3.48 115.31 119.28 2rdx h LEU 359 Ca -0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2rdx h LEU 359 Cb 1.54 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 2rdx h LEU 359 CO 0.16 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.90 2rdx n GLY 360 N 0.15 -0.92 3.77 0.83 0.00 -0.81 -4.44 105.19 103.76 2rdx n GLY 360 Ca -0.01 -1.20 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.08 3.15 0.24 4.61 0.00 -1.26 -4.88 121.76 122.54 2rdx s ALA 361 Ca 0.00 1.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.73 2rdx s ALA 361 Cb 0.00 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 2rdx s ALA 361 CO 0.00 -0.70 1.50 -2.14 0.00 0.00 0.00 175.76 174.43 2rdx s PRO 362 N -2.36 4.22 0.37 0.00 0.02 -1.26 -4.73 135.00 131.26 2rdx s PRO 362 Ca 0.59 2.38 0.20 0.00 0.02 0.00 0.00 61.00 64.19 2rdx s PRO 362 Cb -0.34 -3.10 0.39 0.00 0.02 0.00 0.00 34.50 31.48 2rdx s PRO 362 CO 0.42 -0.51 1.60 -0.39 -0.33 0.00 0.00 177.00 177.79 2rdx h VAL 363 N 3.59 0.57 -3.04 3.83 -1.51 -0.94 -3.46 116.25 115.28 2rdx h VAL 363 Ca -0.46 -1.61 -0.12 0.00 -1.23 0.00 0.00 66.70 63.28 2rdx h VAL 363 Cb 1.22 2.13 -0.20 0.00 -2.13 0.00 0.00 31.29 32.30 2rdx h VAL 363 CO 0.81 0.30 -0.29 0.00 -1.23 0.00 0.00 177.57 177.16 2rdx s ALA 364 N -3.22 -0.77 -0.19 5.19 0.00 -1.17 -5.00 121.76 116.59 2rdx s ALA 364 Ca 0.04 0.36 -0.04 0.00 0.00 0.00 0.00 51.96 52.32 2rdx s ALA 364 Cb 0.08 0.02 0.10 0.00 0.00 0.00 0.00 23.12 23.32 2rdx s ALA 364 CO 0.69 -0.25 0.30 0.34 0.00 0.00 0.00 175.76 176.85 2rdx s ASP 365 N -1.20 0.54 -0.14 0.00 3.68 -1.26 -1.18 116.67 117.12 2rdx s ASP 365 Ca -0.12 0.29 0.00 0.00 2.13 0.00 0.00 52.55 54.85 2rdx s ASP 365 Cb -0.05 0.81 -0.01 0.00 -1.45 0.00 0.00 42.92 42.22 2rdx s ASP 365 CO 0.04 -0.28 -0.15 0.26 0.13 0.00 0.00 175.17 175.17 2rdx s TRP 366 N 2.45 2.78 0.05 -5.34 0.51 0.70 -5.00 118.94 115.09 2rdx s TRP 366 Ca 0.06 -0.85 0.06 0.00 -2.12 0.00 0.00 56.10 53.25 2rdx s TRP 366 Cb -0.14 -1.86 -0.02 0.00 -0.81 0.00 0.00 33.47 30.64 2rdx s TRP 366 CO -0.12 -0.35 -0.17 0.00 -0.51 0.00 0.00 176.95 175.81 2rdx s ALA 367 N 0.57 1.40 -2.00 0.98 0.00 -1.26 -0.57 121.76 120.88 2rdx s ALA 367 Ca -0.09 -0.94 0.16 0.00 0.00 0.00 0.00 51.96 51.10 2rdx s ALA 367 Cb -0.16 -0.23 0.96 0.00 0.00 0.00 0.00 23.12 23.68 2rdx s ALA 367 CO 0.03 0.28 1.37 -0.11 0.00 0.00 0.00 175.76 177.33