#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nsx s ASN -1 N 0.00 7.20 0.28 6.43 0.01 -1.26 -2.44 114.94 125.15 3nsx s ASN -1 Ca 0.00 2.01 -0.29 0.00 -0.71 0.00 0.00 52.86 53.87 3nsx s ASN -1 Cb 0.00 -2.59 -0.14 0.00 0.41 0.00 0.00 41.25 38.93 3nsx s ASN -1 CO 0.00 -0.33 1.20 0.00 -1.51 0.00 0.00 177.10 176.45 3nsx n ALA 0 N 3.21 0.45 -3.62 0.60 0.00 -1.26 -4.40 120.51 115.48 3nsx n ALA 0 Ca 0.06 0.40 -0.05 0.00 0.00 0.00 0.00 53.44 53.84 3nsx n ALA 0 Cb 0.47 -2.14 -0.05 0.00 0.00 0.00 0.00 19.45 17.73 3nsx n ALA 0 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3nsx s MET 1 N -1.26 0.28 -0.07 0.00 0.00 -1.16 -4.98 119.30 112.10 3nsx s MET 1 Ca 0.61 0.07 0.00 0.00 0.00 0.00 0.00 55.69 56.38 3nsx s MET 1 Cb -0.67 0.13 0.02 0.00 0.00 0.00 0.00 34.83 34.31 3nsx s MET 1 CO 0.57 -0.08 -0.06 0.42 0.00 0.00 0.00 175.02 175.87 3nsx s ILE 2 N -1.02 0.74 0.14 10.11 1.01 -1.26 -0.88 121.20 130.04 3nsx s ILE 2 Ca 0.05 -0.17 0.11 0.00 0.00 0.00 0.00 60.65 60.63 3nsx s ILE 2 Cb -0.01 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 3nsx s ILE 2 CO -0.04 0.30 -0.26 -0.13 0.00 0.00 0.00 174.94 174.81 3nsx s ARG 3 N 1.34 1.45 -0.16 2.79 0.52 -0.54 -4.97 118.95 119.39 3nsx s ARG 3 Ca -0.03 -1.38 0.01 0.00 -0.52 0.00 0.00 55.73 53.82 3nsx s ARG 3 Cb -0.14 -1.90 0.01 0.00 0.52 0.00 0.00 34.95 33.44 3nsx s ARG 3 CO -0.03 0.44 -0.20 0.21 0.02 0.00 0.00 175.30 175.74 3nsx s LYS 4 N -2.20 3.03 -0.21 3.54 2.20 -1.25 -0.64 119.74 124.21 3nsx s LYS 4 Ca 0.16 -0.83 -0.06 0.00 -0.36 0.00 0.00 55.97 54.88 3nsx s LYS 4 Cb -0.10 -2.53 -0.03 0.00 -1.51 0.00 0.00 37.83 33.67 3nsx s LYS 4 CO 0.07 -0.10 0.02 0.71 -0.36 0.00 0.00 175.35 175.69 3nsx s TYR 5 N 1.04 3.06 -0.16 4.03 2.02 0.23 0.02 117.35 127.58 3nsx s TYR 5 Ca -0.01 -0.43 -0.06 0.00 -0.37 0.00 0.00 57.07 56.19 3nsx s TYR 5 Cb -0.14 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 3nsx s TYR 5 CO -0.07 -0.26 0.05 0.50 -1.57 0.00 0.00 175.55 174.21 3nsx s ARG 6 N 1.13 3.74 -0.10 -0.62 3.52 -1.26 -0.45 118.95 124.91 3nsx s ARG 6 Ca 0.03 -0.35 0.03 0.00 -0.13 0.00 0.00 55.73 55.31 3nsx s ARG 6 Cb -0.14 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 3nsx s ARG 6 CO 0.02 0.39 -0.21 0.71 -0.81 0.00 0.00 175.30 175.40 3nsx s TYR 7 N 0.03 2.31 0.00 5.12 2.02 -0.14 -5.02 117.35 121.67 3nsx s TYR 7 Ca 0.05 -0.97 0.00 0.00 -0.37 0.00 0.00 57.07 55.78 3nsx s TYR 7 Cb -0.12 -1.57 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 3nsx s TYR 7 CO 0.01 -0.41 0.00 0.41 -1.57 0.00 0.00 175.55 173.99 3nsx n GLY 8 N 3.68 2.20 2.84 0.71 0.00 -1.11 -1.25 105.19 112.26 3nsx n GLY 8 Ca -0.20 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 3nsx n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nsx s ALA 9 N -1.97 3.39 0.50 4.61 0.00 -1.26 -4.88 121.76 122.14 3nsx s ALA 9 Ca 0.00 -3.54 -0.23 0.00 0.00 0.00 0.00 51.96 48.19 3nsx s ALA 9 Cb 0.00 -2.09 -0.06 0.00 0.00 0.00 0.00 23.12 20.97 3nsx s ALA 9 CO 0.00 -2.07 1.33 -2.14 0.00 0.00 0.00 175.76 172.88 3nsx s PRO 10 N -1.03 3.43 0.22 0.00 0.02 -1.26 -4.84 135.00 131.54 3nsx s PRO 10 Ca 0.24 2.18 -0.30 0.00 0.02 0.00 0.00 61.00 63.15 3nsx s PRO 10 Cb -0.08 -2.41 -0.08 0.00 0.02 0.00 0.00 34.50 31.95 3nsx s PRO 10 CO -0.14 -0.94 1.15 0.12 -0.33 0.00 0.00 177.00 176.86 3nsx s PHE 11 N -1.32 3.50 -0.57 6.54 5.36 -1.26 -4.98 117.98 125.24 3nsx s PHE 11 Ca 0.67 1.55 -0.28 0.00 -0.96 0.00 0.00 56.93 57.90 3nsx s PHE 11 Cb -0.39 -3.36 0.03 0.00 -0.34 0.00 0.00 43.02 38.96 3nsx s PHE 11 CO 0.47 -0.89 1.18 0.34 -1.46 0.00 0.00 175.22 174.86 3nsx s ASP 12 N -0.26 6.47 0.18 6.13 3.68 -1.26 -4.86 116.67 126.75 3nsx s ASP 12 Ca 0.49 0.13 0.25 0.00 2.13 0.00 0.00 52.55 55.56 3nsx s ASP 12 Cb -0.32 -2.55 0.54 0.00 -1.45 0.00 0.00 42.92 39.14 3nsx s ASP 12 CO 0.38 -1.44 1.53 0.71 0.13 0.00 0.00 175.17 176.48 3nsx h THR 13 N 6.16 0.00 -1.85 1.71 1.35 -1.95 -3.47 112.91 114.86 3nsx h THR 13 Ca -0.25 -0.53 -0.42 0.00 -0.55 0.00 0.00 66.41 64.66 3nsx h THR 13 Cb 1.06 1.32 -0.10 0.00 -1.73 0.00 0.00 68.15 68.69 3nsx h THR 13 CO 1.18 0.00 -0.45 -0.62 -0.25 0.00 0.00 175.52 175.38 3nsx n GLU 14 N -2.26 -1.54 -0.18 4.72 1.02 -1.26 -4.90 120.64 116.24 3nsx n GLU 14 Ca 0.04 1.13 -0.05 0.00 -0.02 0.00 0.00 57.16 58.27 3nsx n GLU 14 Cb 0.44 -5.63 0.05 0.00 -0.02 0.00 0.00 31.44 26.28 3nsx n GLU 14 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3nsx h ALA 15 N 0.43 0.70 -2.66 0.62 0.00 -1.92 -3.42 119.26 113.01 3nsx h ALA 15 Ca -0.45 -0.00 -0.59 0.00 0.00 0.00 0.00 54.91 53.86 3nsx h ALA 15 Cb 1.36 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 3nsx h ALA 15 CO 0.60 0.02 -0.17 -0.51 0.00 0.00 0.00 179.25 179.20 3nsx s LEU 16 N -10.22 4.42 -0.04 0.00 1.02 -1.26 -4.24 118.68 108.36 3nsx s LEU 16 Ca -0.13 0.97 0.17 0.00 0.02 0.00 0.00 54.13 55.17 3nsx s LEU 16 Cb 0.14 -2.89 -0.21 0.00 0.02 0.00 0.00 46.19 43.25 3nsx s LEU 16 CO 0.74 0.23 0.55 0.35 0.02 0.00 0.00 176.35 178.24 3nsx n THR 17 N 1.32 1.13 -3.09 5.49 -2.24 -0.21 -4.87 114.28 111.81 3nsx n THR 17 Ca -0.10 -0.72 -0.40 0.00 -2.27 0.00 0.00 64.05 60.56 3nsx n THR 17 Cb 0.52 -0.60 -0.05 0.00 -2.10 0.00 0.00 70.33 68.10 3nsx n THR 17 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3nsx s GLU 18 N -2.85 4.36 -0.04 -0.78 2.12 -0.85 -5.04 118.70 115.63 3nsx s GLU 18 Ca -0.06 0.77 -0.28 0.00 0.36 0.00 0.00 54.97 55.77 3nsx s GLU 18 Cb 0.09 -3.48 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 3nsx s GLU 18 CO 0.83 -0.02 0.88 0.15 -0.54 0.00 0.00 175.26 176.57 3nsx s LYS 19 N 1.11 4.49 -0.08 4.30 -0.14 -1.26 -5.00 119.74 123.17 3nsx s LYS 19 Ca 0.34 1.22 0.04 0.00 -1.36 0.00 0.00 55.97 56.21 3nsx s LYS 19 Cb -0.17 -3.47 -0.01 0.00 -1.68 0.00 0.00 37.83 32.50 3nsx s LYS 19 CO 0.15 -0.05 -0.20 0.42 -0.76 0.00 0.00 175.35 174.91 3nsx s ILE 20 N 1.09 2.52 0.66 2.17 -1.09 -1.26 -5.12 121.20 120.17 3nsx s ILE 20 Ca 0.46 -0.89 -0.15 0.00 -2.23 0.00 0.00 60.65 57.84 3nsx s ILE 20 Cb -0.19 -1.98 0.00 0.00 -1.58 0.00 0.00 42.46 38.71 3nsx s ILE 20 CO 0.23 0.56 1.13 -1.83 -1.23 0.00 0.00 174.94 173.80 3nsx s GLU 21 N -0.13 2.75 -0.18 2.79 -1.05 -1.26 -4.88 118.70 116.73 3nsx s GLU 21 Ca -0.03 1.47 -0.29 0.00 -0.15 0.00 0.00 54.97 55.97 3nsx s GLU 21 Cb -0.14 -1.94 -0.01 0.00 -0.44 0.00 0.00 34.13 31.61 3nsx s GLU 21 CO 0.04 -1.30 1.19 0.99 0.95 0.00 0.00 175.26 177.12 3nsx s THR 22 N -2.23 4.42 0.33 1.83 2.01 -1.26 -3.87 115.64 116.87 3nsx s THR 22 Ca 0.69 1.71 -0.27 0.00 0.31 0.00 0.00 61.69 64.13 3nsx s THR 22 Cb -0.22 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.09 3nsx s THR 22 CO 0.41 -0.15 1.11 0.00 -0.69 0.00 0.00 174.62 175.30 3nsx s ALA 23 N 3.37 3.30 -1.26 7.40 0.00 0.10 -4.97 121.76 129.69 3nsx s ALA 23 Ca 0.51 0.89 0.11 0.00 0.00 0.00 0.00 51.96 53.47 3nsx s ALA 23 Cb -0.19 -3.33 0.16 0.00 0.00 0.00 0.00 23.12 19.75 3nsx s ALA 23 CO 0.12 -0.27 0.98 0.39 0.00 0.00 0.00 175.76 176.98 3nsx n GLU 24 N 0.70 1.26 -2.34 0.00 -0.58 -1.26 -4.70 120.64 113.71 3nsx n GLU 24 Ca 0.01 -1.44 -0.25 0.00 -0.42 0.00 0.00 57.16 55.07 3nsx n GLU 24 Cb 0.46 -1.23 0.08 0.00 -0.57 0.00 0.00 31.44 30.18 3nsx n GLU 24 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3nsx s GLU 25 N -0.96 1.98 0.64 3.49 8.01 -1.26 -5.05 118.70 125.55 3nsx s GLU 25 Ca 0.16 -0.56 -0.17 0.00 0.01 0.00 0.00 54.97 54.41 3nsx s GLU 25 Cb 0.10 -2.23 -0.01 0.00 -4.31 0.00 0.00 34.13 27.68 3nsx s GLU 25 CO 0.15 -1.31 1.21 0.00 0.01 0.00 0.00 175.26 175.31 3nsx s ALA 26 N -3.20 2.40 0.17 5.21 0.00 -1.26 -4.91 121.76 120.17 3nsx s ALA 26 Ca 0.62 0.96 -0.32 0.00 0.00 0.00 0.00 51.96 53.23 3nsx s ALA 26 Cb -0.09 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.47 3nsx s ALA 26 CO 0.44 -1.42 1.61 0.12 0.00 0.00 0.00 175.76 176.52 3nsx s PHE 27 N -1.74 3.01 -0.43 0.00 5.36 -1.26 -4.89 117.98 118.03 3nsx s PHE 27 Ca 0.76 0.55 0.26 0.00 -0.96 0.00 0.00 56.93 57.54 3nsx s PHE 27 Cb -0.30 -3.98 0.85 0.00 -0.34 0.00 0.00 43.02 39.25 3nsx s PHE 27 CO 0.38 -3.66 1.76 -1.00 -1.46 0.00 0.00 175.22 171.24 3nsx h PRO 28 N 6.83 0.00 -4.55 10.12 0.13 -2.04 -3.45 132.00 139.04 3nsx h PRO 28 Ca -0.43 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.37 3nsx h PRO 28 Cb 1.20 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.07 3nsx h PRO 28 CO 0.93 0.00 -0.76 0.71 -0.23 0.00 0.00 178.00 178.65 3nsx s TYR 29 N -3.29 0.66 0.00 1.56 2.02 -1.26 -5.09 117.35 111.94 3nsx s TYR 29 Ca 0.06 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.52 3nsx s TYR 29 Cb 0.09 -0.41 0.00 0.00 -0.40 0.00 0.00 41.96 41.24 3nsx s TYR 29 CO 0.55 -0.03 0.00 0.41 -1.57 0.00 0.00 175.55 174.92 3nsx n GLY 30 N 2.41 1.69 3.00 0.71 0.00 -1.26 -4.80 105.19 106.94 3nsx n GLY 30 Ca -0.16 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 3nsx n GLY 30 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3nsx s GLU 31 N 0.00 0.41 -0.11 1.61 -1.05 -0.06 -4.98 118.70 114.52 3nsx s GLU 31 Ca 0.00 -0.50 0.01 0.00 -0.15 0.00 0.00 54.97 54.33 3nsx s GLU 31 Cb 0.00 -0.24 -0.02 0.00 -0.44 0.00 0.00 34.13 33.44 3nsx s GLU 31 CO 0.00 0.05 -0.13 0.42 0.95 0.00 0.00 175.26 176.55 3nsx s ILE 32 N -0.90 3.08 -0.03 1.83 -1.09 -1.26 -0.88 121.20 121.96 3nsx s ILE 32 Ca -0.06 -0.67 0.05 0.00 -2.23 0.00 0.00 60.65 57.73 3nsx s ILE 32 Cb -0.07 -2.27 -0.01 0.00 -1.58 0.00 0.00 42.46 38.53 3nsx s ILE 32 CO -0.00 0.54 -0.17 -0.55 -1.23 0.00 0.00 174.94 173.53 3nsx s SER 33 N 0.05 2.03 -0.14 3.58 0.15 0.99 -5.00 113.70 115.36 3nsx s SER 33 Ca -0.05 -0.32 0.17 0.00 0.70 0.00 0.00 55.95 56.45 3nsx s SER 33 Cb -0.14 -0.37 0.31 0.00 -1.71 0.00 0.00 66.02 64.11 3nsx s SER 33 CO 0.04 0.18 1.16 0.00 1.20 0.00 0.00 173.24 175.83 3nsx n GLN 34 N 2.87 1.29 -0.13 5.44 6.02 -1.26 -0.87 117.38 130.75 3nsx n GLN 34 Ca -0.16 -2.68 -0.09 0.00 -0.01 0.00 0.00 57.00 54.06 3nsx n GLN 34 Cb 0.54 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.31 3nsx n GLN 34 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3nsx h LYS 35 N 0.22 0.57 -2.52 -1.09 1.57 -1.97 -3.37 116.57 109.98 3nsx h LYS 35 Ca -0.00 -0.09 -0.60 0.00 -1.87 0.00 0.00 60.65 58.09 3nsx h LYS 35 Cb 1.02 -0.10 -0.39 0.00 0.08 0.00 0.00 32.23 32.84 3nsx h LYS 35 CO 0.00 0.52 -0.89 -1.83 -0.57 0.00 0.00 179.45 176.68 3nsx s GLU 36 N -5.64 1.20 5.45 3.15 -1.05 -1.26 -5.06 118.70 115.50 3nsx s GLU 36 Ca -0.13 -2.32 0.00 0.00 -0.15 0.00 0.00 54.97 52.37 3nsx s GLU 36 Cb 0.10 -1.82 0.00 0.00 -0.44 0.00 0.00 34.13 31.97 3nsx s GLU 36 CO 0.75 -1.36 0.00 0.41 0.95 0.00 0.00 175.26 176.01 3nsx n GLY 37 N 2.73 0.51 3.13 -3.83 0.00 -1.26 -4.81 105.19 101.66 3nsx n GLY 37 Ca 0.27 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 3nsx n GLY 37 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3nsx s PHE 38 N 0.00 1.51 -0.11 1.61 5.36 -0.61 -4.09 117.98 121.65 3nsx s PHE 38 Ca 0.00 -0.35 -0.08 0.00 -0.96 0.00 0.00 56.93 55.55 3nsx s PHE 38 Cb 0.00 -0.99 0.04 0.00 -0.34 0.00 0.00 43.02 41.72 3nsx s PHE 38 CO 0.00 -0.08 0.27 0.00 -1.46 0.00 0.00 175.22 173.95 3nsx s ALA 39 N -0.18 -0.66 -0.17 11.12 0.00 -0.05 -1.93 121.76 129.89 3nsx s ALA 39 Ca 0.02 0.94 -0.03 0.00 0.00 0.00 0.00 51.96 52.90 3nsx s ALA 39 Cb -0.08 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 3nsx s ALA 39 CO 0.00 -0.17 -0.07 0.12 0.00 0.00 0.00 175.76 175.64 3nsx s PHE 40 N 0.75 2.93 -0.07 0.00 5.36 0.12 -0.01 117.98 127.06 3nsx s PHE 40 Ca -0.05 -0.61 0.03 0.00 -0.96 0.00 0.00 56.93 55.34 3nsx s PHE 40 Cb -0.06 -1.96 0.01 0.00 -0.34 0.00 0.00 43.02 40.66 3nsx s PHE 40 CO -0.05 -0.25 -0.17 0.99 -1.46 0.00 0.00 175.22 174.28 3nsx s THR 41 N 0.70 1.52 -0.02 0.12 2.01 -0.06 -0.64 115.64 119.27 3nsx s THR 41 Ca -0.04 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.26 3nsx s THR 41 Cb -0.15 -1.34 0.02 0.00 0.01 0.00 0.00 72.50 71.04 3nsx s THR 41 CO 0.02 0.44 -0.01 -0.47 -0.69 0.00 0.00 174.62 173.91 3nsx s TYR 42 N 0.46 0.28 -0.33 4.92 6.14 0.75 -0.89 117.35 128.68 3nsx s TYR 42 Ca -0.15 -0.02 -0.18 0.00 0.64 0.00 0.00 57.07 57.36 3nsx s TYR 42 Cb -0.16 -0.30 -0.01 0.00 0.42 0.00 0.00 41.96 41.91 3nsx s TYR 42 CO 0.05 -0.08 0.54 0.42 0.64 0.00 0.00 175.55 177.13 3nsx s ILE 43 N 0.57 5.00 0.34 3.14 -1.09 -1.26 -0.45 121.20 127.45 3nsx s ILE 43 Ca -0.06 0.52 -0.20 0.00 -2.23 0.00 0.00 60.65 58.69 3nsx s ILE 43 Cb -0.08 -3.95 -0.10 0.00 -1.58 0.00 0.00 42.46 36.75 3nsx s ILE 43 CO -0.01 -0.16 0.85 -0.04 -1.23 0.00 0.00 174.94 174.34 3nsx s MET 44 N 2.44 4.25 0.50 2.79 -1.94 0.70 -5.00 119.30 123.02 3nsx s MET 44 Ca 0.20 0.99 -0.20 0.00 -1.71 0.00 0.00 55.69 54.97 3nsx s MET 44 Cb -0.15 -2.51 -0.08 0.00 2.01 0.00 0.00 34.83 34.10 3nsx s MET 44 CO 0.13 0.17 1.08 0.34 -0.01 0.00 0.00 175.02 176.72 3nsx s ASP 45 N -1.99 6.17 0.50 3.03 2.15 -1.26 -4.86 116.67 120.42 3nsx s ASP 45 Ca 0.54 2.04 0.22 0.00 0.43 0.00 0.00 52.55 55.78 3nsx s ASP 45 Cb -0.13 -2.57 1.29 0.00 -0.30 0.00 0.00 42.92 41.21 3nsx s ASP 45 CO 0.18 -0.91 1.99 1.05 -0.17 0.00 0.00 175.17 177.31 3nsx h GLU 46 N 1.55 0.11 -0.01 4.34 4.11 -1.97 -1.27 114.58 121.44 3nsx h GLU 46 Ca -0.50 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.93 3nsx h GLU 46 Cb 1.23 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3nsx h GLU 46 CO 0.59 0.07 -0.22 -0.25 0.07 0.00 0.00 179.01 179.27 3nsx n ASP 47 N -4.41 1.15 -4.75 3.06 8.00 -1.26 -4.94 116.55 113.40 3nsx n ASP 47 Ca 0.10 -1.01 -0.41 0.00 0.71 0.00 0.00 54.79 54.17 3nsx n ASP 47 Cb 0.54 0.13 -0.00 0.00 -0.02 0.00 0.00 41.12 41.77 3nsx n ASP 47 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3nsx n ASP 48 N -0.48 3.39 -4.65 -2.24 8.00 -0.48 -4.87 116.55 115.21 3nsx n ASP 48 Ca 0.13 1.21 -0.34 0.00 0.71 0.00 0.00 54.79 56.50 3nsx n ASP 48 Cb 0.36 -1.57 -0.10 0.00 -0.02 0.00 0.00 41.12 39.79 3nsx n ASP 48 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3nsx s ILE 49 N -1.12 4.09 -0.25 0.53 1.01 0.04 -4.95 121.20 120.55 3nsx s ILE 49 Ca 0.55 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.74 3nsx s ILE 49 Cb -0.50 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.23 3nsx s ILE 49 CO 0.63 0.54 -0.01 -0.69 0.00 0.00 0.00 174.94 175.40 3nsx s VAL 50 N -0.92 3.42 0.23 2.92 1.01 -1.26 -0.54 120.40 125.26 3nsx s VAL 50 Ca 0.15 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.48 3nsx s VAL 50 Cb -0.11 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 3nsx s VAL 50 CO 0.04 0.26 0.36 -0.31 0.00 0.00 0.00 175.10 175.46 3nsx s TYR 51 N 1.44 3.46 -0.54 5.22 2.02 0.12 -0.28 117.35 128.80 3nsx s TYR 51 Ca 0.03 0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 3nsx s TYR 51 Cb -0.16 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 3nsx s TYR 51 CO -0.02 0.43 0.00 0.41 -1.57 0.00 0.00 175.55 174.80 3nsx n GLY 52 N -1.30 0.38 2.69 0.71 0.00 -1.26 -0.67 105.19 105.73 3nsx n GLY 52 Ca -0.08 -2.07 -0.00 0.00 0.00 0.00 0.00 46.02 43.87 3nsx n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3nsx n LEU 53 N 0.00 0.65 0.00 0.99 4.77 0.20 -4.86 117.00 118.75 3nsx n LEU 53 Ca 0.00 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3nsx n LEU 53 Cb 0.00 -1.91 0.00 0.00 -2.33 0.00 0.00 43.42 39.18 3nsx n LEU 53 CO 0.00 -0.70 0.00 0.61 -1.33 0.00 0.00 177.39 175.97 3nsx n GLY 54 N -0.23 2.97 3.55 -0.72 0.00 -1.24 -3.39 105.19 106.14 3nsx n GLY 54 Ca -0.00 0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 3nsx n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3nsx s GLU 55 N 0.00 3.59 0.18 1.61 2.12 -1.26 -4.20 118.70 120.74 3nsx s GLU 55 Ca 0.00 -1.17 -0.06 0.00 0.36 0.00 0.00 54.97 54.09 3nsx s GLU 55 Cb 0.00 -5.33 -0.02 0.00 0.26 0.00 0.00 34.13 29.04 3nsx s GLU 55 CO 0.00 -2.18 0.24 -1.54 -0.54 0.00 0.00 175.26 171.24 3nsx s SER 56 N 4.88 0.09 1.00 -1.70 1.04 -1.22 -4.41 113.70 113.38 3nsx s SER 56 Ca 0.45 -1.07 -0.15 0.00 0.48 0.00 0.00 55.95 55.66 3nsx s SER 56 Cb -0.00 0.42 0.19 0.00 0.10 0.00 0.00 66.02 66.74 3nsx s SER 56 CO -0.10 -0.90 1.19 0.21 0.98 0.00 0.00 173.24 174.62 3nsx s ASN 57 N -3.04 2.75 0.42 7.02 3.84 -1.26 -4.89 114.94 119.79 3nsx s ASN 57 Ca 0.25 0.66 0.00 0.00 0.21 0.00 0.00 52.86 53.97 3nsx s ASN 57 Cb 0.04 -0.98 0.00 0.00 -0.55 0.00 0.00 41.25 39.76 3nsx s ASN 57 CO 0.05 -2.99 0.00 0.54 -2.79 0.00 0.00 177.10 171.91 3nsx n ARG 58 N -4.01 0.00 -1.87 0.43 5.12 -1.26 -4.97 116.66 110.10 3nsx n ARG 58 Ca 0.11 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.95 3nsx n ARG 58 Cb 0.59 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.92 3nsx n ARG 58 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3nsx n GLY 59 N 0.00 2.06 0.15 -0.13 0.00 -1.26 -4.83 105.19 101.17 3nsx n GLY 59 Ca 0.00 -2.18 -0.14 0.00 0.00 0.00 0.00 46.02 43.71 3nsx n GLY 59 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3nsx h ILE 60 N 0.10 1.36 -3.45 -0.61 2.04 -1.90 -3.37 117.51 111.69 3nsx h ILE 60 Ca -0.11 -1.50 -0.57 0.00 1.00 0.00 0.00 64.86 63.68 3nsx h ILE 60 Cb 0.51 1.99 -0.06 0.00 -0.74 0.00 0.00 36.82 38.52 3nsx h ILE 60 CO 0.16 0.44 0.93 0.21 0.00 0.00 0.00 178.15 179.90 3nsx s ASN 61 N -6.31 6.69 0.00 1.72 2.47 -1.26 -4.39 114.94 113.86 3nsx s ASN 61 Ca -0.14 0.80 0.30 0.00 0.42 0.00 0.00 52.86 54.25 3nsx s ASN 61 Cb 0.05 -2.55 1.57 0.00 -1.45 0.00 0.00 41.25 38.87 3nsx s ASN 61 CO 0.78 -1.14 2.07 0.29 -3.72 0.00 0.00 177.10 175.38 3nsx n LYS 62 N 7.51 0.50 -1.74 0.43 4.76 0.62 -4.90 118.16 125.34 3nsx n LYS 62 Ca 0.13 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.19 3nsx n LYS 62 Cb 0.48 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 32.21 3nsx n LYS 62 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3nsx n ARG 63 N -1.25 1.68 -0.19 1.97 1.74 -1.26 -3.75 116.66 115.59 3nsx n ARG 63 Ca 0.15 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 3nsx n ARG 63 Cb 0.22 -2.55 0.00 0.00 -1.02 0.00 0.00 32.46 29.11 3nsx n ARG 63 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3nsx n GLY 64 N 0.78 0.89 3.68 -0.13 0.00 0.14 -5.02 105.19 105.54 3nsx n GLY 64 Ca 0.10 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3nsx n GLY 64 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3nsx s TYR 65 N -2.00 0.51 -0.12 1.61 5.04 -1.08 -4.65 117.35 116.66 3nsx s TYR 65 Ca 0.00 -1.01 -0.01 0.00 -2.44 0.00 0.00 57.07 53.61 3nsx s TYR 65 Cb 0.00 0.46 -0.02 0.00 0.35 0.00 0.00 41.96 42.75 3nsx s TYR 65 CO 0.00 -1.40 -0.09 0.00 -1.34 0.00 0.00 175.55 172.73 3nsx s TYR 67 N 0.07 1.43 -0.18 0.00 2.02 -0.09 -4.72 117.35 115.88 3nsx s TYR 67 Ca -0.03 -0.50 0.00 0.00 -0.37 0.00 0.00 57.07 56.17 3nsx s TYR 67 Cb -0.14 -1.04 0.01 0.00 -0.40 0.00 0.00 41.96 40.39 3nsx s TYR 67 CO 0.04 -0.25 -0.16 0.42 -1.57 0.00 0.00 175.55 174.02 3nsx s ILE 68 N 0.57 2.42 -0.50 2.71 1.01 0.29 0.31 121.20 128.02 3nsx s ILE 68 Ca -0.13 -0.83 -0.28 0.00 0.00 0.00 0.00 60.65 59.41 3nsx s ILE 68 Cb -0.15 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.31 3nsx s ILE 68 CO 0.03 0.51 1.32 -0.44 0.00 0.00 0.00 174.94 176.37 3nsx s SER 69 N 1.18 6.35 -0.35 3.58 0.01 0.35 -4.17 113.70 120.65 3nsx s SER 69 Ca 0.02 0.48 -0.03 0.00 1.31 0.00 0.00 55.95 57.72 3nsx s SER 69 Cb -0.14 -2.55 0.19 0.00 0.21 0.00 0.00 66.02 63.73 3nsx s SER 69 CO -0.07 -1.49 0.91 0.21 0.41 0.00 0.00 173.24 173.21 3nsx s ASN 70 N 3.62 -0.74 -0.26 2.44 2.47 -1.26 -2.52 114.94 118.68 3nsx s ASN 70 Ca 0.53 -0.37 -0.38 0.00 0.42 0.00 0.00 52.86 53.06 3nsx s ASN 70 Cb -0.10 0.94 -0.14 0.00 -1.45 0.00 0.00 41.25 40.50 3nsx s ASN 70 CO 0.29 -0.08 1.90 0.00 -3.72 0.00 0.00 177.10 175.49 3nsx s THR 72 N 4.67 0.01 -0.42 0.00 2.01 -0.60 -4.89 115.64 116.43 3nsx s THR 72 Ca 1.00 -0.12 -0.06 0.00 0.31 0.00 0.00 61.69 62.83 3nsx s THR 72 Cb -0.94 -0.24 0.10 0.00 0.01 0.00 0.00 72.50 71.43 3nsx s THR 72 CO 0.59 -0.06 0.24 -0.62 -0.69 0.00 0.00 174.62 174.07 3nsx s ASP 73 N -0.16 5.45 0.09 3.53 3.68 -1.26 -3.34 116.67 124.66 3nsx s ASP 73 Ca -0.02 -1.79 -0.04 0.00 2.13 0.00 0.00 52.55 52.83 3nsx s ASP 73 Cb -0.02 -1.91 -0.05 0.00 -1.45 0.00 0.00 42.92 39.49 3nsx s ASP 73 CO 0.00 -0.56 0.30 -1.81 0.13 0.00 0.00 175.17 173.24 3nsx s ASP 74 N 2.09 6.45 0.41 -0.34 1.01 -1.26 -5.01 116.67 120.02 3nsx s ASP 74 Ca 0.05 0.48 0.09 0.00 0.71 0.00 0.00 52.55 53.89 3nsx s ASP 74 Cb -0.24 -2.05 0.90 0.00 1.01 0.00 0.00 42.92 42.55 3nsx s ASP 74 CO -0.01 0.13 2.01 -0.65 0.21 0.00 0.00 175.17 176.86 3nsx h PRO 75 N 3.14 0.52 -3.19 8.23 0.11 -2.03 -3.42 132.00 135.36 3nsx h PRO 75 Ca -0.46 -0.03 -0.26 0.00 0.11 0.00 0.00 66.00 65.35 3nsx h PRO 75 Cb 1.17 -0.12 -0.33 0.00 0.11 0.00 0.00 31.00 31.83 3nsx h PRO 75 CO 0.72 0.34 -0.61 0.42 -0.21 0.00 0.00 178.00 178.67 3nsx s ILE 76 N -5.48 -0.13 -1.34 4.15 1.01 -1.26 -4.55 121.20 113.60 3nsx s ILE 76 Ca -0.08 0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.66 3nsx s ILE 76 Cb 0.19 -0.26 0.09 0.00 0.01 0.00 0.00 42.46 42.48 3nsx s ILE 76 CO 0.74 0.10 1.88 1.41 0.00 0.00 0.00 174.94 179.07 3nsx n HIS 77 N 4.61 4.10 -1.88 3.97 8.25 -1.26 -4.97 115.22 128.05 3nsx n HIS 77 Ca -0.19 -2.96 -0.30 0.00 -0.26 0.00 0.00 57.72 54.01 3nsx n HIS 77 Cb 0.51 -2.45 0.04 0.00 1.12 0.00 0.00 29.99 29.20 3nsx n HIS 77 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3nsx s THR 78 N 2.97 3.82 -0.64 1.59 -4.23 -1.26 -4.95 115.64 112.94 3nsx s THR 78 Ca 0.48 0.59 0.17 0.00 -1.18 0.00 0.00 61.69 61.75 3nsx s THR 78 Cb 0.07 -3.58 0.17 0.00 1.34 0.00 0.00 72.50 70.49 3nsx s THR 78 CO 0.00 -0.77 1.52 -1.84 -0.54 0.00 0.00 174.62 172.99 3nsx n GLU 79 N -2.94 0.10 0.00 3.99 0.28 -1.26 -2.06 120.64 118.75 3nsx n GLU 79 Ca 0.07 0.44 0.12 0.00 -0.16 0.00 0.00 57.16 57.62 3nsx n GLU 79 Cb 0.56 -1.74 0.09 0.00 1.43 0.00 0.00 31.44 31.79 3nsx n GLU 79 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3nsx n ASP 80 N -1.93 2.77 -4.75 -1.84 5.68 -1.26 -4.84 116.55 110.38 3nsx n ASP 80 Ca 0.01 -1.89 -0.41 0.00 -0.50 0.00 0.00 54.79 52.00 3nsx n ASP 80 Cb 0.14 0.09 -0.02 0.00 -1.14 0.00 0.00 41.12 40.19 3nsx n ASP 80 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3nsx s LYS 81 N -2.09 4.27 0.04 0.11 -0.14 -0.88 -4.93 119.74 116.12 3nsx s LYS 81 Ca 0.26 2.31 0.23 0.00 -1.36 0.00 0.00 55.97 57.41 3nsx s LYS 81 Cb 0.20 -3.08 -0.01 0.00 -1.68 0.00 0.00 37.83 33.25 3nsx s LYS 81 CO 0.35 -0.38 0.97 0.54 -0.76 0.00 0.00 175.35 176.08 3nsx n ARG 82 N 1.74 0.28 -3.79 1.68 1.74 -1.26 -4.80 116.66 112.24 3nsx n ARG 82 Ca 0.04 -0.02 -0.14 0.00 -0.77 0.00 0.00 57.85 56.96 3nsx n ARG 82 Cb 0.40 -1.57 -0.15 0.00 -1.02 0.00 0.00 32.46 30.12 3nsx n ARG 82 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3nsx s SER 83 N -3.84 0.03 0.00 0.55 0.01 -1.26 -0.55 113.70 108.64 3nsx s SER 83 Ca 0.03 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.35 3nsx s SER 83 Cb 0.15 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.36 3nsx s SER 83 CO 0.82 -0.10 0.00 0.18 0.41 0.00 0.00 173.24 174.55 3nsx n LEU 84 N 3.88 0.00 0.25 2.44 4.77 -1.26 -4.74 117.00 122.34 3nsx n LEU 84 Ca -0.23 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 55.89 3nsx n LEU 84 Cb 0.53 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 42.04 3nsx n LEU 84 CO 0.23 0.00 0.90 1.88 -1.33 0.00 0.00 177.39 179.06 3nsx h TYR 85 N 0.00 0.00 -4.12 -1.77 0.05 -1.85 -1.60 116.97 107.68 3nsx h TYR 85 Ca 0.00 0.00 -0.69 0.00 0.05 0.00 0.00 58.73 58.09 3nsx h TYR 85 Cb 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 36.73 37.50 3nsx h TYR 85 CO 0.00 0.01 -0.87 0.20 -1.05 0.00 0.00 178.16 176.45 3nsx s GLY 86 N -4.20 1.49 -0.35 3.88 0.00 -1.26 -3.37 107.32 103.51 3nsx s GLY 86 Ca 0.04 -1.34 0.03 0.00 0.00 0.00 0.00 44.72 43.45 3nsx s GLY 86 CO 0.61 -1.26 0.08 0.00 0.00 0.00 0.00 173.10 172.52 3nsx s ALA 87 N -0.92 2.95 -0.51 3.20 0.00 -0.42 -4.70 121.76 121.36 3nsx s ALA 87 Ca 0.13 -2.54 0.04 0.00 0.00 0.00 0.00 51.96 49.58 3nsx s ALA 87 Cb -0.10 -2.05 0.14 0.00 0.00 0.00 0.00 23.12 21.11 3nsx s ALA 87 CO 0.04 -1.71 0.28 -1.01 0.00 0.00 0.00 175.76 173.35 3nsx s HIS 88 N 0.94 2.84 -0.18 0.00 3.76 -1.26 -3.70 115.29 117.69 3nsx s HIS 88 Ca 0.11 -2.97 -0.01 0.00 -0.15 0.00 0.00 55.06 52.03 3nsx s HIS 88 Cb -0.20 -2.52 0.07 0.00 1.11 0.00 0.00 32.58 31.05 3nsx s HIS 88 CO -0.07 -0.74 2.25 0.09 -0.85 0.00 0.00 174.74 175.42 3nsx n ASN 89 N 3.13 5.94 -4.23 1.40 5.03 -1.26 -3.89 115.26 121.38 3nsx n ASN 89 Ca 0.08 -2.78 -0.34 0.00 0.87 0.00 0.00 54.58 52.41 3nsx n ASN 89 Cb 0.33 -1.14 -0.15 0.00 -1.02 0.00 0.00 39.78 37.80 3nsx n ASN 89 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3nsx s PHE 90 N -0.86 2.82 0.13 3.10 5.36 -1.26 -1.41 117.98 125.86 3nsx s PHE 90 Ca 0.26 -1.21 0.06 0.00 -0.96 0.00 0.00 56.93 55.08 3nsx s PHE 90 Cb 0.18 -1.95 -0.04 0.00 -0.34 0.00 0.00 43.02 40.87 3nsx s PHE 90 CO -0.02 -0.60 -0.14 0.96 -1.46 0.00 0.00 175.22 173.96 3nsx s ILE 91 N 1.12 1.38 -0.09 3.12 -4.36 -0.34 -0.62 121.20 121.42 3nsx s ILE 91 Ca 0.01 -1.79 -0.00 0.00 -0.26 0.00 0.00 60.65 58.61 3nsx s ILE 91 Cb -0.14 -1.61 0.02 0.00 1.25 0.00 0.00 42.46 41.98 3nsx s ILE 91 CO -0.05 -0.44 -0.07 -0.63 0.24 0.00 0.00 174.94 173.99 3nsx s ILE 92 N -2.26 0.88 -0.17 8.37 1.01 0.15 -0.47 121.20 128.70 3nsx s ILE 92 Ca 0.11 -0.23 -0.21 0.00 0.00 0.00 0.00 60.65 60.31 3nsx s ILE 92 Cb -0.04 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 3nsx s ILE 92 CO 0.03 0.33 0.65 -0.69 0.00 0.00 0.00 174.94 175.27 3nsx s VAL 93 N 1.51 5.02 -0.15 2.92 1.01 0.02 -0.71 120.40 130.03 3nsx s VAL 93 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.23 3nsx s VAL 93 Cb -0.13 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.31 3nsx s VAL 93 CO -0.05 0.14 -0.11 -0.55 0.00 0.00 0.00 175.10 174.53 3nsx s SER 94 N 1.10 2.69 0.00 3.32 0.15 0.30 -1.49 113.70 119.77 3nsx s SER 94 Ca 0.31 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.43 3nsx s SER 94 Cb -0.16 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 3nsx s SER 94 CO 0.12 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.06 3nsx n GLY 95 N 4.82 -0.80 0.23 9.45 0.00 -1.26 -0.78 105.19 116.84 3nsx n GLY 95 Ca -0.15 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3nsx n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3nsx h LYS 96 N 0.00 0.34 -5.15 1.61 1.79 -1.97 -3.36 116.57 109.83 3nsx h LYS 96 Ca 0.00 -0.02 -0.65 0.00 -2.18 0.00 0.00 60.65 57.80 3nsx h LYS 96 Cb 0.00 -0.08 -0.26 0.00 -1.58 0.00 0.00 32.23 30.31 3nsx h LYS 96 CO 0.00 0.23 -0.73 0.99 -1.08 0.00 0.00 179.45 178.86 3nsx s THR 97 N -6.10 3.36 -0.05 -0.16 2.01 -1.26 -5.11 115.64 108.33 3nsx s THR 97 Ca -0.13 -0.52 0.04 0.00 0.31 0.00 0.00 61.69 61.38 3nsx s THR 97 Cb 0.17 -2.48 0.00 0.00 0.01 0.00 0.00 72.50 70.20 3nsx s THR 97 CO 0.74 0.47 -0.16 -0.89 -0.69 0.00 0.00 174.62 174.09 3nsx s THR 98 N 0.92 1.35 -0.01 -0.82 2.01 -1.26 -4.42 115.64 113.41 3nsx s THR 98 Ca -0.01 -0.66 -0.28 0.00 0.31 0.00 0.00 61.69 61.05 3nsx s THR 98 Cb -0.15 -1.18 0.10 0.00 0.01 0.00 0.00 72.50 71.28 3nsx s THR 98 CO 0.00 0.40 0.83 0.72 -0.69 0.00 0.00 174.62 175.88 3nsx s PHE 99 N 0.18 -0.43 0.12 4.92 -0.12 -0.55 -4.62 117.98 117.47 3nsx s PHE 99 Ca -0.06 0.46 0.07 0.00 -0.05 0.00 0.00 56.93 57.34 3nsx s PHE 99 Cb -0.12 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 3nsx s PHE 99 CO 0.03 -0.57 -0.07 0.20 -0.05 0.00 0.00 175.22 174.76 3nsx s GLY 100 N -2.05 1.79 -0.04 1.99 0.00 -0.09 -0.80 107.32 108.13 3nsx s GLY 100 Ca 0.00 -1.27 0.01 0.00 0.00 0.00 0.00 44.72 43.46 3nsx s GLY 100 CO -0.05 -1.26 -0.04 1.08 0.00 0.00 0.00 173.10 172.83 3nsx s LEU 101 N -2.41 1.42 -0.21 0.66 1.43 0.38 -0.80 118.68 119.15 3nsx s LEU 101 Ca 0.23 -0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.21 3nsx s LEU 101 Cb -0.11 -0.40 0.01 0.00 0.03 0.00 0.00 46.19 45.73 3nsx s LEU 101 CO 0.15 -0.04 -0.12 0.12 0.23 0.00 0.00 176.35 176.70 3nsx s PHE 102 N 0.76 2.91 -0.64 0.29 5.36 -0.50 -1.19 117.98 124.96 3nsx s PHE 102 Ca -0.10 -1.41 -0.18 0.00 -0.96 0.00 0.00 56.93 54.28 3nsx s PHE 102 Cb -0.13 -2.01 0.11 0.00 -0.34 0.00 0.00 43.02 40.66 3nsx s PHE 102 CO -0.00 -0.71 0.74 -0.06 -1.46 0.00 0.00 175.22 173.73 3nsx s PHE 103 N 1.36 3.06 -0.91 10.12 0.08 -0.50 -1.11 117.98 130.07 3nsx s PHE 103 Ca 0.04 -1.08 -0.21 0.00 0.12 0.00 0.00 56.93 55.80 3nsx s PHE 103 Cb -0.14 -4.02 0.09 0.00 -0.57 0.00 0.00 43.02 38.37 3nsx s PHE 103 CO -0.08 -1.29 1.22 0.34 -0.10 0.00 0.00 175.22 175.32 3nsx s ASP 104 N 3.52 6.50 -0.18 1.36 2.15 0.28 -4.72 116.67 125.59 3nsx s ASP 104 Ca 0.14 -1.62 -0.12 0.00 0.43 0.00 0.00 52.55 51.38 3nsx s ASP 104 Cb -0.22 -2.47 0.06 0.00 -0.30 0.00 0.00 42.92 39.99 3nsx s ASP 104 CO 0.04 -1.31 0.44 -0.47 -0.17 0.00 0.00 175.17 173.70 3nsx s TYR 105 N 3.81 -0.61 -2.14 -5.34 5.04 -1.26 -2.47 117.35 114.37 3nsx s TYR 105 Ca 0.36 1.33 0.21 0.00 -2.44 0.00 0.00 57.07 56.54 3nsx s TYR 105 Cb -0.05 0.27 0.46 0.00 0.35 0.00 0.00 41.96 42.99 3nsx s TYR 105 CO -0.06 -0.33 1.40 -0.35 -1.34 0.00 0.00 175.55 174.88 3nsx n PRO 106 N 3.87 2.52 -1.35 4.97 -0.04 -1.26 -4.96 135.00 138.76 3nsx n PRO 106 Ca -0.20 -2.34 0.00 0.00 -0.04 0.00 0.00 63.50 60.92 3nsx n PRO 106 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 3nsx n PRO 106 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3nsx n SER 107 N 1.42 1.86 -4.64 3.54 2.88 -1.26 -1.69 113.62 115.74 3nsx n SER 107 Ca 0.20 -0.70 -0.42 0.00 -1.33 0.00 0.00 58.87 56.61 3nsx n SER 107 Cb 0.58 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.01 3nsx n SER 107 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3nsx n LYS 108 N -0.05 2.53 -4.18 -1.46 4.81 -1.26 -4.84 118.16 113.70 3nsx n LYS 108 Ca 0.00 0.85 -0.29 0.00 -0.87 0.00 0.00 58.31 58.00 3nsx n LYS 108 Cb 0.00 -3.11 -0.17 0.00 0.02 0.00 0.00 35.03 31.78 3nsx n LYS 108 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3nsx s LEU 109 N 5.99 1.67 -0.24 3.14 2.96 -1.05 -4.49 118.68 126.65 3nsx s LEU 109 Ca 0.94 -0.45 -0.09 0.00 -0.22 0.00 0.00 54.13 54.30 3nsx s LEU 109 Cb -0.39 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 3nsx s LEU 109 CO 0.39 -0.03 0.12 -0.89 -1.32 0.00 0.00 176.35 174.63 3nsx s THR 110 N 1.31 4.94 -0.46 3.68 2.01 -0.05 -0.50 115.64 126.57 3nsx s THR 110 Ca 0.01 0.04 -0.10 0.00 0.31 0.00 0.00 61.69 61.94 3nsx s THR 110 Cb -0.14 -3.31 0.11 0.00 0.01 0.00 0.00 72.50 69.17 3nsx s THR 110 CO -0.07 0.34 0.33 -0.36 -0.69 0.00 0.00 174.62 174.17 3nsx s PHE 111 N 1.30 3.38 -0.77 4.92 0.08 0.15 -1.12 117.98 125.92 3nsx s PHE 111 Ca 0.06 -1.69 -0.18 0.00 0.12 0.00 0.00 56.93 55.24 3nsx s PHE 111 Cb -0.15 -3.34 0.13 0.00 -0.57 0.00 0.00 43.02 39.10 3nsx s PHE 111 CO 0.05 -0.94 0.90 0.34 -0.10 0.00 0.00 175.22 175.48 3nsx s ASP 112 N 2.56 6.45 -1.03 1.36 -1.08 0.37 -0.91 116.67 124.39 3nsx s ASP 112 Ca 0.05 -1.83 -0.05 0.00 -0.52 0.00 0.00 52.55 50.19 3nsx s ASP 112 Cb -0.25 -2.34 0.27 0.00 -1.46 0.00 0.00 42.92 39.14 3nsx s ASP 112 CO 0.01 -1.04 1.06 -0.38 0.52 0.00 0.00 175.17 175.34 3nsx n ILE 113 N 5.29 4.14 -1.19 4.11 5.41 -0.43 -1.04 119.36 135.64 3nsx n ILE 113 Ca 0.08 -5.39 -0.07 0.00 1.00 0.00 0.00 62.75 58.37 3nsx n ILE 113 Cb 0.46 -2.42 -0.03 0.00 -0.71 0.00 0.00 39.64 36.94 3nsx n ILE 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3nsx n GLY 114 N 2.25 0.88 0.07 7.39 0.00 -0.29 0.28 105.19 115.77 3nsx n GLY 114 Ca 0.24 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 3nsx n GLY 114 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3nsx h TYR 115 N 0.00 0.06 0.09 1.61 3.20 -1.79 -3.32 116.97 116.81 3nsx h TYR 115 Ca -0.14 -0.04 -0.18 0.00 3.14 0.00 0.00 58.73 61.52 3nsx h TYR 115 Cb 0.50 -0.01 0.02 0.00 1.54 0.00 0.00 36.73 38.78 3nsx h TYR 115 CO 0.23 0.87 -0.74 1.15 -1.64 0.00 0.00 178.16 178.03 3nsx h THR 116 N -0.76 1.48 -3.44 1.81 2.02 -1.90 -3.45 112.91 108.67 3nsx h THR 116 Ca -0.01 -2.36 -0.36 0.00 0.77 0.00 0.00 66.41 64.44 3nsx h THR 116 Cb 0.89 2.97 -0.35 0.00 -1.74 0.00 0.00 68.15 69.92 3nsx h THR 116 CO 0.01 0.68 -0.75 -0.60 0.37 0.00 0.00 175.52 175.23 3nsx s ARG 117 N -2.73 0.34 0.41 6.66 3.52 -1.26 -5.06 118.95 120.83 3nsx s ARG 117 Ca -0.13 0.10 0.11 0.00 -0.13 0.00 0.00 55.73 55.68 3nsx s ARG 117 Cb 0.02 -0.58 0.93 0.00 -1.56 0.00 0.00 34.95 33.77 3nsx s ARG 117 CO 0.83 -0.18 1.98 0.00 -0.81 0.00 0.00 175.30 177.12 3nsx h MET 118 N 7.53 0.50 -0.02 5.12 -0.00 -1.87 -0.68 114.93 125.51 3nsx h MET 118 Ca -0.36 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.31 3nsx h MET 118 Cb 1.13 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 32.62 3nsx h MET 118 CO 0.41 0.33 0.00 -0.40 -0.00 0.00 0.00 176.91 177.25 3nsx n ASP 119 N -4.48 1.40 -4.37 -0.10 5.68 -1.26 -4.53 116.55 108.89 3nsx n ASP 119 Ca 0.09 -1.47 -0.34 0.00 -0.50 0.00 0.00 54.79 52.57 3nsx n ASP 119 Cb 0.30 -0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.14 3nsx n ASP 119 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3nsx s THR 120 N -2.00 3.44 -0.26 2.12 2.01 -0.26 -0.22 115.64 120.48 3nsx s THR 120 Ca 0.39 -0.50 -0.09 0.00 0.31 0.00 0.00 61.69 61.80 3nsx s THR 120 Cb 0.21 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 3nsx s THR 120 CO 0.34 0.46 0.13 -0.22 -0.69 0.00 0.00 174.62 174.64 3nsx s LEU 121 N 0.92 3.79 -0.09 4.42 2.96 0.40 -1.13 118.68 129.95 3nsx s LEU 121 Ca -0.01 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 3nsx s LEU 121 Cb -0.15 -2.03 0.02 0.00 0.50 0.00 0.00 46.19 44.53 3nsx s LEU 121 CO 0.01 -0.02 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.20 3nsx s LYS 122 N 1.53 1.37 -0.17 1.98 2.20 -0.21 -0.18 119.74 126.26 3nsx s LYS 122 Ca 0.06 -0.23 -0.01 0.00 -0.36 0.00 0.00 55.97 55.44 3nsx s LYS 122 Cb -0.15 -1.38 -0.00 0.00 -1.51 0.00 0.00 37.83 34.79 3nsx s LYS 122 CO 0.07 -0.18 -0.12 0.08 -0.36 0.00 0.00 175.35 174.83 3nsx s VAL 123 N 1.40 2.87 0.05 4.02 1.01 0.18 -0.48 120.40 129.45 3nsx s VAL 123 Ca -0.02 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 3nsx s VAL 123 Cb -0.13 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3nsx s VAL 123 CO -0.04 0.50 -0.01 -0.94 0.00 0.00 0.00 175.10 174.60 3nsx s SER 124 N 0.94 0.43 0.23 3.32 1.04 -0.28 -0.70 113.70 118.69 3nsx s SER 124 Ca -0.02 -0.91 -0.19 0.00 0.48 0.00 0.00 55.95 55.31 3nsx s SER 124 Cb -0.15 0.20 0.03 0.00 0.10 0.00 0.00 66.02 66.19 3nsx s SER 124 CO -0.01 -0.57 0.61 0.00 0.98 0.00 0.00 173.24 174.25 3nsx h GLU 126 N 2.09 0.46 -4.87 0.00 5.08 -1.87 -1.62 114.58 113.86 3nsx h GLU 126 Ca -0.25 -0.24 -0.58 0.00 -1.00 0.00 0.00 59.36 57.29 3nsx h GLU 126 Cb 1.26 0.01 -0.33 0.00 0.50 0.00 0.00 28.75 30.19 3nsx h GLU 126 CO 0.31 0.81 -0.84 -0.80 -1.00 0.00 0.00 179.01 177.49 3nsx s ASN 127 N -6.87 2.31 -1.54 1.42 -0.87 -1.26 -4.08 114.94 104.05 3nsx s ASN 127 Ca -0.06 -0.41 -0.10 0.00 -1.57 0.00 0.00 52.86 50.72 3nsx s ASN 127 Cb 0.12 -1.06 -0.03 0.00 -0.02 0.00 0.00 41.25 40.26 3nsx s ASN 127 CO 0.81 0.08 2.72 0.00 -2.57 0.00 0.00 177.10 178.15 3nsx n ALA 128 N 3.71 7.06 -3.74 0.60 0.00 -1.26 -4.63 120.51 122.25 3nsx n ALA 128 Ca -0.21 -3.70 -0.29 0.00 0.00 0.00 0.00 53.44 49.24 3nsx n ALA 128 Cb 0.52 -3.30 -0.13 0.00 0.00 0.00 0.00 19.45 16.54 3nsx n ALA 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3nsx s ASP 129 N 2.02 3.69 0.15 0.00 1.01 -1.25 -2.75 116.67 119.54 3nsx s ASP 129 Ca 0.63 -2.80 -0.24 0.00 0.71 0.00 0.00 52.55 50.86 3nsx s ASP 129 Cb 0.17 -1.12 0.07 0.00 1.01 0.00 0.00 42.92 43.05 3nsx s ASP 129 CO -0.07 -0.24 0.66 -1.48 0.21 0.00 0.00 175.17 174.25 3nsx s LEU 130 N 0.12 -0.50 -0.10 1.23 2.34 -0.38 -4.47 118.68 116.91 3nsx s LEU 130 Ca 0.19 -0.07 -0.02 0.00 0.06 0.00 0.00 54.13 54.29 3nsx s LEU 130 Cb -0.21 2.52 -0.03 0.00 -0.56 0.00 0.00 46.19 47.91 3nsx s LEU 130 CO -0.02 -0.96 -0.01 -1.81 -1.06 0.00 0.00 176.35 172.49 3nsx s ASP 131 N -2.73 5.15 -0.19 1.48 1.01 -1.03 -0.96 116.67 119.39 3nsx s ASP 131 Ca 0.03 0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.38 3nsx s ASP 131 Cb -0.02 -1.51 0.02 0.00 1.01 0.00 0.00 42.92 42.42 3nsx s ASP 131 CO -0.10 0.34 -0.17 -0.63 0.21 0.00 0.00 175.17 174.82 3nsx s ILE 132 N -0.64 2.31 -0.12 0.77 1.01 0.40 -0.55 121.20 124.37 3nsx s ILE 132 Ca 0.10 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.69 3nsx s ILE 132 Cb -0.12 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 3nsx s ILE 132 CO 0.02 0.49 0.41 -0.31 0.00 0.00 0.00 174.94 175.55 3nsx s TYR 133 N 1.32 3.52 -0.20 3.97 2.02 -0.27 -0.61 117.35 127.10 3nsx s TYR 133 Ca 0.04 0.81 -0.04 0.00 -0.37 0.00 0.00 57.07 57.51 3nsx s TYR 133 Cb -0.14 -2.46 -0.02 0.00 -0.40 0.00 0.00 41.96 38.95 3nsx s TYR 133 CO -0.11 0.24 -0.02 0.08 -1.57 0.00 0.00 175.55 174.18 3nsx s VAL 134 N 0.38 3.74 -0.17 0.71 1.01 0.18 -1.41 120.40 124.84 3nsx s VAL 134 Ca 0.23 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 3nsx s VAL 134 Cb -0.15 -2.69 -0.00 0.00 0.00 0.00 0.00 36.38 33.54 3nsx s VAL 134 CO 0.09 0.43 -0.13 -0.63 0.00 0.00 0.00 175.10 174.86 3nsx s ILE 135 N 1.08 2.81 0.12 2.22 1.01 0.02 -1.47 121.20 127.00 3nsx s ILE 135 Ca 0.02 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.99 3nsx s ILE 135 Cb -0.14 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 3nsx s ILE 135 CO 0.01 0.49 0.18 -1.61 0.00 0.00 0.00 174.94 174.01 3nsx s GLU 136 N 1.02 3.14 -0.05 2.79 0.41 -0.06 -0.91 118.70 125.04 3nsx s GLU 136 Ca -0.01 -0.68 -0.31 0.00 -0.41 0.00 0.00 54.97 53.56 3nsx s GLU 136 Cb -0.15 -2.82 0.12 0.00 -1.78 0.00 0.00 34.13 29.50 3nsx s GLU 136 CO -0.03 0.53 1.34 0.20 -0.49 0.00 0.00 175.26 176.82 3nsx s GLY 137 N -2.88 -0.36 0.35 -1.39 0.00 -1.26 -3.00 107.32 98.79 3nsx s GLY 137 Ca 0.32 0.57 0.12 0.00 0.00 0.00 0.00 44.72 45.73 3nsx s GLY 137 CO 0.25 2.08 1.79 -2.09 0.00 0.00 0.00 173.10 175.14 3nsx h GLU 138 N 2.00 0.02 -3.09 2.90 4.57 -1.84 -2.96 114.58 116.18 3nsx h GLU 138 Ca -0.29 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 57.92 3nsx h GLU 138 Cb 1.19 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.74 3nsx h GLU 138 CO 0.30 0.42 0.19 0.54 -1.18 0.00 0.00 179.01 179.28 3nsx s ASN 139 N -6.92 -0.17 0.23 1.04 2.20 -1.26 -4.53 114.94 105.53 3nsx s ASN 139 Ca -0.03 -0.76 -0.06 0.00 -0.94 0.00 0.00 52.86 51.07 3nsx s ASN 139 Cb 0.14 0.74 0.35 0.00 -2.00 0.00 0.00 41.25 40.48 3nsx s ASN 139 CO 0.73 -1.39 1.80 0.00 -2.94 0.00 0.00 177.10 175.30 3nsx h ALA 140 N 2.03 1.06 -0.49 3.54 0.00 -1.92 -1.78 119.26 121.69 3nsx h ALA 140 Ca -0.22 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3nsx h ALA 140 Cb 1.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3nsx h ALA 140 CO 0.28 0.04 0.26 -0.92 0.00 0.00 0.00 179.25 178.91 3nsx h TYR 141 N 0.70 0.69 -0.78 0.00 3.20 -1.94 -0.12 116.97 118.73 3nsx h TYR 141 Ca 0.36 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.24 3nsx h TYR 141 Cb 0.34 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.34 3nsx h TYR 141 CO -0.08 0.52 0.50 0.22 -1.64 0.00 0.00 178.16 177.68 3nsx h ASP 142 N 0.65 0.82 -0.54 -2.11 3.58 -1.85 -0.90 116.42 116.08 3nsx h ASP 142 Ca 0.17 -0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 3nsx h ASP 142 Cb 0.07 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 3nsx h ASP 142 CO -0.03 0.57 0.16 0.40 -2.88 0.00 0.00 179.24 177.46 3nsx h ILE 143 N 0.97 1.24 -0.56 2.25 2.04 -0.81 -1.71 117.51 120.92 3nsx h ILE 143 Ca 0.31 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.38 3nsx h ILE 143 Cb 0.01 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 3nsx h ILE 143 CO -0.11 0.30 0.36 0.58 0.00 0.00 0.00 178.15 179.27 3nsx h VAL 144 N 0.74 1.10 -0.42 1.67 2.07 -0.55 -1.50 116.25 119.36 3nsx h VAL 144 Ca 0.17 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 3nsx h VAL 144 Cb 0.29 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3nsx h VAL 144 CO -0.00 0.13 0.06 0.11 0.02 0.00 0.00 177.57 177.88 3nsx h LYS 145 N 0.72 0.64 -0.54 1.57 1.57 -0.85 0.11 116.57 119.78 3nsx h LYS 145 Ca 0.22 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 3nsx h LYS 145 Cb -0.03 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 3nsx h LYS 145 CO -0.07 0.62 0.04 1.96 -0.57 0.00 0.00 179.45 181.43 3nsx h GLN 146 N 0.62 0.92 -0.32 3.15 4.20 -0.93 -2.15 115.11 120.61 3nsx h GLN 146 Ca 0.14 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 3nsx h GLN 146 Cb 0.30 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3nsx h GLN 146 CO 0.00 0.92 0.10 0.35 -0.67 0.00 0.00 178.83 179.54 3nsx h PHE 147 N 0.81 0.50 -0.63 2.96 3.57 -0.54 -2.63 116.94 120.97 3nsx h PHE 147 Ca 0.16 -0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.68 3nsx h PHE 147 Cb 0.47 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 3nsx h PHE 147 CO 0.03 0.51 0.42 0.00 -2.23 0.00 0.00 178.31 177.04 3nsx h ARG 148 N 0.35 0.58 -0.29 1.11 2.47 -0.69 -1.69 114.38 116.22 3nsx h ARG 148 Ca 0.10 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 3nsx h ARG 148 Cb 0.23 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 3nsx h ARG 148 CO -0.00 0.38 0.15 -0.09 0.56 0.00 0.00 179.97 180.96 3nsx h ARG 149 N 0.60 0.41 0.00 0.04 2.43 -1.04 -3.19 114.38 113.63 3nsx h ARG 149 Ca 0.27 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3nsx h ARG 149 Cb 0.31 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3nsx h ARG 149 CO -0.08 0.37 -0.13 -0.39 -1.51 0.00 0.00 179.97 178.23 3nsx h VAL 150 N 0.34 0.24 -0.01 0.20 -1.51 -1.05 -3.01 116.25 111.45 3nsx h VAL 150 Ca 0.10 -1.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.35 3nsx h VAL 150 Cb 0.09 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 3nsx h VAL 150 CO -0.01 0.13 -0.14 2.30 -1.23 0.00 0.00 177.57 178.61 3nsx n ILE 151 N -3.15 0.00 0.00 7.19 -5.35 -0.92 -1.04 119.36 116.09 3nsx n ILE 151 Ca 0.03 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 3nsx n ILE 151 Cb 0.54 0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 3nsx n ILE 151 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3nsx n GLY 152 N 1.29 -0.59 3.67 3.28 0.00 -1.14 -4.32 105.19 107.38 3nsx n GLY 152 Ca 0.14 -1.59 -0.45 0.00 0.00 0.00 0.00 46.02 44.12 3nsx n GLY 152 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3nsx n ARG 153 N -0.20 2.10 -2.01 1.61 0.63 -1.26 -4.87 116.66 112.66 3nsx n ARG 153 Ca 0.00 0.75 -0.36 0.00 -0.92 0.00 0.00 57.85 57.32 3nsx n ARG 153 Cb 0.00 -2.44 0.03 0.00 0.45 0.00 0.00 32.46 30.50 3nsx n ARG 153 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3nsx s SER 154 N 0.48 5.17 0.24 6.15 0.01 -1.26 -4.43 113.70 120.06 3nsx s SER 154 Ca 0.71 2.39 -0.30 0.00 1.31 0.00 0.00 55.95 60.06 3nsx s SER 154 Cb -0.65 -2.60 -0.15 0.00 0.21 0.00 0.00 66.02 62.83 3nsx s SER 154 CO 0.46 -1.60 1.14 0.00 0.41 0.00 0.00 173.24 173.65 3nsx n TYR 155 N -1.60 1.44 -4.23 2.43 9.36 0.78 -4.91 117.16 120.42 3nsx n TYR 155 Ca 0.14 0.65 -0.33 0.00 3.32 0.00 0.00 57.90 61.68 3nsx n TYR 155 Cb 0.50 -2.30 -0.16 0.00 -0.63 0.00 0.00 39.34 36.75 3nsx n TYR 155 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3nsx s ILE 156 N -0.56 2.01 0.65 2.97 1.01 -1.26 -4.77 121.20 121.25 3nsx s ILE 156 Ca 0.66 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 60.29 3nsx s ILE 156 Cb -0.75 -1.81 -0.00 0.00 0.01 0.00 0.00 42.46 39.91 3nsx s ILE 156 CO 0.55 0.53 1.02 -2.16 0.00 0.00 0.00 174.94 174.88 3nsx s PRO 157 N 1.20 3.05 0.67 2.79 0.04 -1.26 -4.78 135.00 136.71 3nsx s PRO 157 Ca 0.02 0.38 -0.15 0.00 0.04 0.00 0.00 61.00 61.28 3nsx s PRO 157 Cb -0.14 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.29 3nsx s PRO 157 CO -0.10 -0.81 1.15 -1.25 0.04 0.00 0.00 177.00 176.02 3nsx s PRO 158 N -5.19 2.62 0.45 0.56 0.04 -1.26 -4.93 135.00 127.28 3nsx s PRO 158 Ca 0.56 1.54 0.12 0.00 0.04 0.00 0.00 61.00 63.26 3nsx s PRO 158 Cb -0.11 -1.91 0.99 0.00 0.04 0.00 0.00 34.50 33.51 3nsx s PRO 158 CO 0.50 -1.42 2.04 -0.22 0.04 0.00 0.00 177.00 177.94 3nsx h LYS 159 N 0.04 0.19 -0.19 4.56 3.64 -1.29 -1.79 116.57 121.73 3nsx h LYS 159 Ca -0.47 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 58.94 3nsx h LYS 159 Cb 1.27 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 3nsx h LYS 159 CO 0.53 0.22 0.19 0.27 -2.27 0.00 0.00 179.45 178.38 3nsx h PHE 160 N 0.19 0.00 0.00 1.91 -5.15 -1.92 -0.15 116.94 111.82 3nsx h PHE 160 Ca 0.05 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.82 3nsx h PHE 160 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.31 3nsx h PHE 160 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 3nsx n ALA 161 N -2.38 1.93 1.44 12.09 0.00 -0.67 -1.33 120.51 131.59 3nsx n ALA 161 Ca 0.02 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.48 3nsx n ALA 161 Cb 0.31 -1.31 0.42 0.00 0.00 0.00 0.00 19.45 18.88 3nsx n ALA 161 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3nsx n PHE 162 N -1.40 0.15 -0.72 0.00 3.72 -0.07 -4.72 117.46 114.43 3nsx n PHE 162 Ca 0.07 -0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3nsx n PHE 162 Cb 0.19 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 3nsx n PHE 162 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3nsx n GLY 163 N 1.04 -0.33 3.76 1.37 0.00 -0.44 -4.92 105.19 105.68 3nsx n GLY 163 Ca 0.16 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 3nsx n GLY 163 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3nsx s PHE 164 N 0.07 3.22 0.11 1.61 5.36 -1.26 -4.49 117.98 122.59 3nsx s PHE 164 Ca 0.00 0.14 0.06 0.00 -0.96 0.00 0.00 56.93 56.18 3nsx s PHE 164 Cb 0.00 -1.69 -0.04 0.00 -0.34 0.00 0.00 43.02 40.96 3nsx s PHE 164 CO 0.00 0.53 -0.16 0.20 -1.46 0.00 0.00 175.22 174.33 3nsx s GLY 165 N -1.91 1.09 0.04 13.12 0.00 -0.80 -0.84 107.32 118.02 3nsx s GLY 165 Ca 0.24 -1.23 0.03 0.00 0.00 0.00 0.00 44.72 43.76 3nsx s GLY 165 CO 0.16 -1.27 -0.09 1.62 0.00 0.00 0.00 173.10 173.52 3nsx s GLN 166 N -2.30 0.58 0.20 2.90 -0.44 -0.62 -0.90 119.66 119.09 3nsx s GLN 166 Ca 0.06 -0.68 -0.23 0.00 -2.50 0.00 0.00 55.36 52.01 3nsx s GLN 166 Cb -0.07 -0.43 0.05 0.00 -1.64 0.00 0.00 33.01 30.92 3nsx s GLN 166 CO 0.03 0.09 0.69 -1.54 0.50 0.00 0.00 175.29 175.06 3nsx s SER 167 N -1.31 -0.41 -0.13 6.67 1.04 -0.35 -0.56 113.70 118.65 3nsx s SER 167 Ca -0.06 -0.27 -0.10 0.00 0.48 0.00 0.00 55.95 56.00 3nsx s SER 167 Cb -0.08 0.63 0.04 0.00 0.10 0.00 0.00 66.02 66.71 3nsx s SER 167 CO 0.01 -1.09 0.33 -0.60 0.98 0.00 0.00 173.24 172.86 3nsx s ARG 168 N -3.75 0.35 0.38 4.02 3.52 -1.26 -1.82 118.95 120.39 3nsx s ARG 168 Ca 0.06 0.53 0.17 0.00 -0.13 0.00 0.00 55.73 56.36 3nsx s ARG 168 Cb -0.03 0.09 1.07 0.00 -1.56 0.00 0.00 34.95 34.52 3nsx s ARG 168 CO -0.04 -0.09 1.76 2.35 -0.81 0.00 0.00 175.30 178.47 3nsx h TRP 169 N 6.22 0.72 -0.15 5.12 2.91 -1.23 -2.35 115.95 127.19 3nsx h TRP 169 Ca -0.31 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.73 3nsx h TRP 169 Cb 1.18 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 29.62 3nsx h TRP 169 CO 0.36 0.05 0.00 0.41 -1.03 0.00 0.00 178.44 178.24 3nsx n GLY 170 N -1.44 0.37 3.69 2.65 0.00 -1.26 -4.54 105.19 104.65 3nsx n GLY 170 Ca 0.26 -0.46 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 3nsx n GLY 170 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3nsx n TYR 171 N 0.43 2.52 0.00 1.61 4.01 -0.88 -4.81 117.16 120.04 3nsx n TYR 171 Ca 0.17 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 3nsx n TYR 171 Cb 0.37 -2.68 0.00 0.00 -0.31 0.00 0.00 39.34 36.71 3nsx n TYR 171 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3nsx n THR 172 N 4.49 0.00 -3.73 -0.72 -1.04 -1.26 -4.48 114.28 107.54 3nsx n THR 172 Ca 0.18 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.98 3nsx n THR 172 Cb 0.34 -0.36 -0.03 0.00 -1.82 0.00 0.00 70.33 68.46 3nsx n THR 172 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3nsx s THR 173 N -1.53 3.35 0.25 12.58 -4.23 -1.26 -4.77 115.64 120.02 3nsx s THR 173 Ca 0.00 -1.35 -0.04 0.00 -1.18 0.00 0.00 61.69 59.12 3nsx s THR 173 Cb 0.00 -3.15 0.23 0.00 1.34 0.00 0.00 72.50 70.92 3nsx s THR 173 CO 0.00 -0.13 1.84 0.11 -0.54 0.00 0.00 174.62 175.90 3nsx h LYS 174 N 1.18 0.92 -0.26 3.99 1.57 -2.00 -1.62 116.57 120.35 3nsx h LYS 174 Ca -0.44 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.26 3nsx h LYS 174 Cb 1.26 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 3nsx h LYS 174 CO 0.58 0.61 0.05 1.49 -0.57 0.00 0.00 179.45 181.60 3nsx h GLU 175 N 0.95 0.37 -0.10 3.15 4.57 -1.95 0.24 114.58 121.80 3nsx h GLU 175 Ca 0.40 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.54 3nsx h GLU 175 Cb 0.26 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 3nsx h GLU 175 CO -0.20 0.36 0.02 -0.44 -1.18 0.00 0.00 179.01 177.57 3nsx h ASP 176 N 0.36 0.01 -0.05 1.04 3.32 -1.69 -0.79 116.42 118.63 3nsx h ASP 176 Ca 0.09 0.01 -0.18 0.00 0.02 0.00 0.00 57.03 56.97 3nsx h ASP 176 Cb 0.17 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 3nsx h ASP 176 CO -0.00 0.02 -0.62 -0.26 -1.72 0.00 0.00 179.24 176.67 3nsx h PHE 177 N 0.07 0.85 -0.59 4.55 0.04 -1.18 -3.06 116.94 117.61 3nsx h PHE 177 Ca 0.04 -0.33 -0.01 0.00 2.80 0.00 0.00 57.97 60.48 3nsx h PHE 177 Cb 0.03 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.00 3nsx h PHE 177 CO -0.11 1.11 0.32 0.00 -0.60 0.00 0.00 178.31 179.03 3nsx h ARG 178 N 0.49 0.82 -0.19 1.51 3.08 -0.42 -1.87 114.38 117.79 3nsx h ARG 178 Ca -0.01 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 3nsx h ARG 178 Cb 1.20 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 3nsx h ARG 178 CO 0.12 0.60 -0.24 0.00 -1.07 0.00 0.00 179.97 179.39 3nsx h ALA 179 N 1.53 1.25 -0.02 0.04 0.00 -1.05 -0.89 119.26 120.12 3nsx h ALA 179 Ca 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3nsx h ALA 179 Cb 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3nsx h ALA 179 CO -0.03 0.49 -0.02 0.28 0.00 0.00 0.00 179.25 179.97 3nsx h VAL 180 N 0.31 1.36 -0.50 0.00 2.07 -1.31 -0.50 116.25 117.67 3nsx h VAL 180 Ca 0.05 -1.09 0.09 0.00 0.82 0.00 0.00 66.70 66.57 3nsx h VAL 180 Cb 0.59 2.05 -0.07 0.00 -1.52 0.00 0.00 31.29 32.33 3nsx h VAL 180 CO 0.04 0.29 0.08 0.00 0.02 0.00 0.00 177.57 178.00 3nsx h ALA 181 N 0.56 0.55 -0.03 1.67 0.00 -1.20 -1.04 119.26 119.76 3nsx h ALA 181 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3nsx h ALA 181 Cb 0.48 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3nsx h ALA 181 CO 0.00 -0.33 0.00 -0.22 0.00 0.00 0.00 179.25 178.71 3nsx h LYS 182 N 0.21 0.05 -0.71 0.00 3.64 -1.15 -0.88 116.57 117.73 3nsx h LYS 182 Ca 0.25 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.66 3nsx h LYS 182 Cb 0.35 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 3nsx h LYS 182 CO -0.35 0.30 0.44 0.78 -2.27 0.00 0.00 179.45 178.35 3nsx h GLY 183 N -0.21 1.03 0.47 5.01 0.00 -0.78 0.28 103.07 108.87 3nsx h GLY 183 Ca 0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 3nsx h GLY 183 CO 0.00 0.25 -0.04 -0.97 0.00 0.00 0.00 176.54 175.78 3nsx h TYR 184 N 0.84 -0.12 -0.09 5.60 -1.99 -1.19 -3.18 116.97 116.84 3nsx h TYR 184 Ca 0.30 -0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.88 3nsx h TYR 184 Cb 0.07 0.04 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 3nsx h TYR 184 CO -0.05 0.36 -0.57 0.00 -0.00 0.00 0.00 178.16 177.90 3nsx h ARG 185 N -0.66 0.29 0.00 4.88 2.47 -1.00 -0.74 114.38 119.63 3nsx h ARG 185 Ca -0.01 -0.19 -0.06 0.00 -1.26 0.00 0.00 59.98 58.46 3nsx h ARG 185 Cb 0.52 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 3nsx h ARG 185 CO 0.02 0.78 -0.27 0.93 0.56 0.00 0.00 179.97 182.00 3nsx h GLU 186 N 0.22 0.00 -0.56 0.04 5.08 -1.09 -2.93 114.58 115.35 3nsx h GLU 186 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3nsx h GLU 186 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3nsx h GLU 186 CO 0.09 0.27 0.00 0.09 -1.00 0.00 0.00 179.01 178.46 3nsx n ASN 187 N -3.38 3.58 -3.85 1.42 4.13 -0.98 -4.96 115.26 111.21 3nsx n ASN 187 Ca 0.00 -1.98 -0.29 0.00 1.68 0.00 0.00 54.58 53.99 3nsx n ASN 187 Cb 0.48 -0.37 0.03 0.00 -1.54 0.00 0.00 39.78 38.38 3nsx n ASN 187 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3nsx n HIS 188 N 1.35 -2.39 -3.41 3.10 8.25 -0.54 -4.96 115.22 116.62 3nsx n HIS 188 Ca 0.20 0.92 -0.38 0.00 -0.26 0.00 0.00 57.72 58.19 3nsx n HIS 188 Cb 0.57 -4.13 -0.08 0.00 1.12 0.00 0.00 29.99 27.47 3nsx n HIS 188 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3nsx s ILE 189 N -3.29 5.20 0.54 1.59 1.01 -0.40 -4.99 121.20 120.86 3nsx s ILE 189 Ca 0.65 0.63 -0.22 0.00 0.00 0.00 0.00 60.65 61.72 3nsx s ILE 189 Cb -0.32 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 3nsx s ILE 189 CO 0.81 0.23 1.31 -2.84 0.00 0.00 0.00 174.94 174.44 3nsx s PRO 190 N 1.52 3.22 -0.24 2.79 0.02 -1.26 -4.51 135.00 136.54 3nsx s PRO 190 Ca 0.17 2.11 -0.27 0.00 0.02 0.00 0.00 61.00 63.03 3nsx s PRO 190 Cb -0.15 -2.25 0.14 0.00 0.02 0.00 0.00 34.50 32.27 3nsx s PRO 190 CO 0.08 -1.08 1.11 -1.50 -0.33 0.00 0.00 177.00 175.28 3nsx s ILE 191 N -1.37 0.00 0.00 2.83 2.07 -0.77 -4.82 121.20 119.14 3nsx s ILE 191 Ca 0.71 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.95 3nsx s ILE 191 Cb -0.37 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.22 3nsx s ILE 191 CO 0.44 0.00 0.00 0.47 -1.91 0.00 0.00 174.94 173.94 3nsx n ASP 192 N 1.41 3.51 -4.01 4.50 8.00 -0.02 -4.55 116.55 125.39 3nsx n ASP 192 Ca -0.10 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.25 3nsx n ASP 192 Cb 0.57 0.62 -0.13 0.00 -0.02 0.00 0.00 41.12 42.15 3nsx n ASP 192 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3nsx s MET 193 N -1.48 0.51 -0.11 -1.24 -1.94 -1.01 -0.56 119.30 113.47 3nsx s MET 193 Ca 0.00 -0.43 0.01 0.00 -1.71 0.00 0.00 55.69 53.57 3nsx s MET 193 Cb 0.00 -0.42 0.02 0.00 2.01 0.00 0.00 34.83 36.43 3nsx s MET 193 CO 0.00 0.10 -0.15 0.42 -0.01 0.00 0.00 175.02 175.38 3nsx s ILE 194 N -0.61 1.50 0.22 2.53 1.01 -0.72 -1.58 121.20 123.55 3nsx s ILE 194 Ca -0.02 -0.63 -0.25 0.00 0.00 0.00 0.00 60.65 59.75 3nsx s ILE 194 Cb -0.05 -1.38 -0.09 0.00 0.01 0.00 0.00 42.46 40.95 3nsx s ILE 194 CO 0.00 0.44 0.81 -0.31 0.00 0.00 0.00 174.94 175.89 3nsx s TYR 195 N 1.07 3.81 -0.32 3.97 1.51 0.28 -1.35 117.35 126.33 3nsx s TYR 195 Ca -0.05 1.64 -0.07 0.00 -1.01 0.00 0.00 57.07 57.58 3nsx s TYR 195 Cb -0.15 -2.79 0.02 0.00 -0.11 0.00 0.00 41.96 38.94 3nsx s TYR 195 CO -0.03 0.41 0.10 -1.64 -1.11 0.00 0.00 175.55 173.28 3nsx s MET 196 N -1.53 2.92 0.54 -0.62 -1.94 -0.12 -4.50 119.30 114.05 3nsx s MET 196 Ca 0.41 -0.98 -0.07 0.00 -1.71 0.00 0.00 55.69 53.34 3nsx s MET 196 Cb -0.21 -3.44 0.12 0.00 2.01 0.00 0.00 34.83 33.31 3nsx s MET 196 CO 0.25 -0.54 0.73 -3.47 -0.01 0.00 0.00 175.02 171.99 3nsx n ASP 197 N 4.86 0.30 0.23 3.03 4.64 -1.26 -1.47 116.55 126.88 3nsx n ASP 197 Ca -0.14 -1.41 0.15 0.00 -1.38 0.00 0.00 54.79 52.02 3nsx n ASP 197 Cb 0.47 -0.54 0.82 0.00 -1.04 0.00 0.00 41.12 40.83 3nsx n ASP 197 CO 0.00 0.00 0.00 0.16 -0.82 0.00 0.00 177.20 176.54 3nsx h ILE 198 N -1.16 0.00 0.00 5.18 3.07 -1.92 -2.59 117.51 120.09 3nsx h ILE 198 Ca -0.24 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.17 3nsx h ILE 198 Cb 0.72 0.67 0.00 0.00 -0.27 0.00 0.00 36.82 37.93 3nsx h ILE 198 CO 0.19 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 177.76 3nsx n ASP 199 N -2.57 0.00 0.23 2.16 8.00 -1.26 -2.42 116.55 120.69 3nsx n ASP 199 Ca -0.02 0.44 0.14 0.00 0.71 0.00 0.00 54.79 56.06 3nsx n ASP 199 Cb 0.08 -0.47 0.33 0.00 -0.02 0.00 0.00 41.12 41.03 3nsx n ASP 199 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 3nsx h TYR 200 N 0.00 0.00 -4.32 1.24 -0.00 -1.68 -3.46 116.97 108.75 3nsx h TYR 200 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 58.73 58.25 3nsx h TYR 200 Cb 0.23 0.00 0.11 0.00 0.00 0.00 0.00 36.73 37.07 3nsx h TYR 200 CO 0.00 0.00 0.34 -1.64 -0.00 0.00 0.00 178.16 176.86 3nsx s MET 201 N -3.34 1.95 -0.53 0.10 -1.94 -1.01 -0.50 119.30 114.02 3nsx s MET 201 Ca 0.05 0.50 -0.27 0.00 -1.71 0.00 0.00 55.69 54.27 3nsx s MET 201 Cb 0.06 -1.91 0.03 0.00 2.01 0.00 0.00 34.83 35.02 3nsx s MET 201 CO 0.63 -1.68 1.07 -1.14 -0.01 0.00 0.00 175.02 173.88 3nsx s GLN 202 N -5.24 3.52 -1.53 2.03 2.00 -1.26 -3.83 119.66 115.35 3nsx s GLN 202 Ca 0.61 0.18 -0.10 0.00 -2.00 0.00 0.00 55.36 54.05 3nsx s GLN 202 Cb -0.14 -3.98 0.08 0.00 0.80 0.00 0.00 33.01 29.77 3nsx s GLN 202 CO 0.53 -1.47 0.71 -0.25 -0.50 0.00 0.00 175.29 174.31 3nsx n ASP 203 N 7.81 -2.52 -1.22 6.67 8.00 -1.26 -1.49 116.55 132.55 3nsx n ASP 203 Ca 0.07 -0.94 -0.15 0.00 0.71 0.00 0.00 54.79 54.49 3nsx n ASP 203 Cb 0.49 -3.24 -0.05 0.00 -0.02 0.00 0.00 41.12 38.29 3nsx n ASP 203 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3nsx n PHE 204 N -4.45 -0.11 -2.96 1.24 3.72 -1.26 -4.78 117.46 108.85 3nsx n PHE 204 Ca -0.09 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.89 3nsx n PHE 204 Cb 0.58 -2.68 -0.05 0.00 -0.94 0.00 0.00 39.48 36.38 3nsx n PHE 204 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3nsx s LYS 205 N -3.48 4.00 0.26 -1.08 1.02 -0.55 -4.69 119.74 115.21 3nsx s LYS 205 Ca 0.00 0.60 -0.30 0.00 0.02 0.00 0.00 55.97 56.30 3nsx s LYS 205 Cb 0.00 -3.71 -0.14 0.00 -0.52 0.00 0.00 37.83 33.46 3nsx s LYS 205 CO 0.00 -0.63 1.12 -0.25 -0.92 0.00 0.00 175.35 174.67 3nsx n ASP 206 N 6.12 1.63 -2.14 2.83 8.00 -1.26 -2.48 116.55 129.24 3nsx n ASP 206 Ca 0.03 1.17 -0.17 0.00 0.71 0.00 0.00 54.79 56.53 3nsx n ASP 206 Cb 0.48 -1.31 0.01 0.00 -0.02 0.00 0.00 41.12 40.29 3nsx n ASP 206 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3nsx n PHE 207 N 0.77 -1.18 -4.34 1.24 3.72 -1.26 -4.94 117.46 111.47 3nsx n PHE 207 Ca 0.11 0.22 -0.18 0.00 -0.05 0.00 0.00 57.45 57.54 3nsx n PHE 207 Cb 0.30 -3.54 -0.10 0.00 -0.94 0.00 0.00 39.48 35.20 3nsx n PHE 207 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3nsx s THR 208 N -2.93 1.42 -0.02 4.37 -4.23 -1.04 -5.03 115.64 108.19 3nsx s THR 208 Ca 0.13 -2.11 0.05 0.00 -1.18 0.00 0.00 61.69 58.57 3nsx s THR 208 Cb -0.06 -2.19 -0.01 0.00 1.34 0.00 0.00 72.50 71.58 3nsx s THR 208 CO 0.16 -0.48 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.91 3nsx s VAL 209 N -3.17 1.24 -0.21 2.29 1.01 -1.26 -4.25 120.40 116.05 3nsx s VAL 209 Ca 0.25 -0.66 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 3nsx s VAL 209 Cb 0.03 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 3nsx s VAL 209 CO 0.07 0.35 2.12 0.21 0.00 0.00 0.00 175.10 177.86 3nsx s ASN 210 N -0.29 5.63 0.39 3.32 3.84 0.34 -4.32 114.94 123.86 3nsx s ASN 210 Ca 0.04 1.87 0.24 0.00 0.21 0.00 0.00 52.86 55.22 3nsx s ASN 210 Cb -0.07 -2.52 0.42 0.00 -0.55 0.00 0.00 41.25 38.54 3nsx s ASN 210 CO -0.00 -1.82 1.63 -0.33 -2.79 0.00 0.00 177.10 173.79 3nsx h GLU 211 N 14.23 0.00 -0.32 0.43 5.08 -1.91 0.87 114.58 132.96 3nsx h GLU 211 Ca -0.41 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.88 3nsx h GLU 211 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3nsx h GLU 211 CO 0.97 0.00 -0.09 -0.22 -1.00 0.00 0.00 179.01 178.67 3nsx h LYS 212 N 0.00 0.64 0.00 2.33 3.64 -1.98 -2.82 116.57 118.38 3nsx h LYS 212 Ca 0.00 -0.25 -0.24 0.00 -1.27 0.00 0.00 60.65 58.89 3nsx h LYS 212 Cb 0.95 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.70 3nsx h LYS 212 CO 0.00 0.82 -1.25 -0.91 -2.27 0.00 0.00 179.45 175.85 3nsx h ASN 213 N 0.41 0.00 -2.21 4.20 2.35 -1.89 -3.40 115.58 115.05 3nsx h ASN 213 Ca 0.08 -0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.24 3nsx h ASN 213 Cb 0.60 -0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.56 3nsx h ASN 213 CO 0.04 1.00 -0.83 0.49 -1.65 0.00 0.00 177.43 176.48 3nsx n PHE 214 N -3.25 1.66 -0.06 1.19 3.72 0.28 -4.41 117.46 116.59 3nsx n PHE 214 Ca -0.06 -3.87 0.08 0.00 -0.05 0.00 0.00 57.45 53.56 3nsx n PHE 214 Cb 0.98 -0.42 0.45 0.00 -0.94 0.00 0.00 39.48 39.56 3nsx n PHE 214 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3nsx h PRO 215 N 4.32 0.49 -2.12 -1.08 0.11 -1.72 -3.22 132.00 128.79 3nsx h PRO 215 Ca 0.15 -0.03 -0.58 0.00 0.11 0.00 0.00 66.00 65.65 3nsx h PRO 215 Cb 0.78 -0.11 -0.40 0.00 0.11 0.00 0.00 31.00 31.38 3nsx h PRO 215 CO 0.64 0.33 -0.95 -3.47 -0.21 0.00 0.00 178.00 174.34 3nsx n ASP 216 N -4.47 1.11 -0.24 -2.05 -0.08 -1.26 -4.99 116.55 104.56 3nsx n ASP 216 Ca 0.07 -2.87 -0.03 0.00 -1.51 0.00 0.00 54.79 50.46 3nsx n ASP 216 Cb 0.23 -0.64 0.08 0.00 2.34 0.00 0.00 41.12 43.13 3nsx n ASP 216 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 3nsx h PHE 217 N 4.26 0.78 -0.74 -0.67 3.57 -1.97 -1.82 116.94 120.33 3nsx h PHE 217 Ca 0.12 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.71 3nsx h PHE 217 Cb 0.82 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 3nsx h PHE 217 CO 0.46 0.42 0.49 -1.35 -2.23 0.00 0.00 178.31 176.10 3nsx h PRO 218 N 0.80 0.76 -0.49 6.41 0.11 -1.93 0.18 132.00 137.84 3nsx h PRO 218 Ca 0.29 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.25 3nsx h PRO 218 Cb 0.08 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 3nsx h PRO 218 CO -0.13 0.50 -0.08 1.49 -0.21 0.00 0.00 178.00 179.57 3nsx h GLU 219 N 0.79 0.88 -0.38 1.05 4.57 -1.68 -2.00 114.58 117.80 3nsx h GLU 219 Ca 0.32 -0.29 -0.12 0.00 -1.18 0.00 0.00 59.36 58.08 3nsx h GLU 219 Cb 0.24 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3nsx h GLU 219 CO -0.11 0.93 -0.23 0.35 -1.18 0.00 0.00 179.01 178.77 3nsx h PHE 220 N 0.80 0.97 -0.88 0.92 3.57 -0.73 -0.24 116.94 121.35 3nsx h PHE 220 Ca 0.13 -0.26 0.07 0.00 3.53 0.00 0.00 57.97 61.45 3nsx h PHE 220 Cb 0.60 -0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.05 3nsx h PHE 220 CO 0.03 1.03 0.54 0.28 -2.23 0.00 0.00 178.31 177.97 3nsx h VAL 221 N 0.64 1.02 -0.43 1.41 2.07 -0.59 -1.58 116.25 118.79 3nsx h VAL 221 Ca 0.08 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 3nsx h VAL 221 Cb 0.80 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3nsx h VAL 221 CO 0.07 0.18 -0.07 0.50 0.02 0.00 0.00 177.57 178.26 3nsx h LYS 222 N 0.97 0.82 -0.67 1.57 3.64 -1.15 0.63 116.57 122.38 3nsx h LYS 222 Ca 0.39 -0.30 0.12 0.00 -1.27 0.00 0.00 60.65 59.60 3nsx h LYS 222 Cb 0.22 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 31.90 3nsx h LYS 222 CO -0.19 0.92 0.23 1.49 -2.27 0.00 0.00 179.45 179.63 3nsx h GLU 223 N 0.65 0.37 -0.08 1.90 4.81 -0.44 0.14 114.58 121.93 3nsx h GLU 223 Ca 0.11 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 3nsx h GLU 223 Cb 0.60 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 3nsx h GLU 223 CO 0.04 0.25 -0.14 0.52 -0.73 0.00 0.00 179.01 178.94 3nsx h MET 224 N 0.38 0.24 0.00 1.92 2.86 -1.11 -3.25 114.93 115.98 3nsx h MET 224 Ca 0.36 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 3nsx h MET 224 Cb 0.51 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 3nsx h MET 224 CO -0.38 0.72 -0.15 -0.22 1.06 0.00 0.00 176.91 177.94 3nsx h LYS 225 N -0.22 0.00 0.00 1.72 3.64 -0.41 -0.43 116.57 120.87 3nsx h LYS 225 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3nsx h LYS 225 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3nsx h LYS 225 CO 0.03 0.15 0.00 -0.44 -2.27 0.00 0.00 179.45 176.92 3nsx h ASP 226 N 0.00 0.00 -0.55 4.20 3.32 -0.76 -0.57 116.42 122.05 3nsx h ASP 226 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3nsx h ASP 226 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3nsx h ASP 226 CO 0.02 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 3nsx n GLN 227 N -3.08 4.30 -3.76 3.56 6.02 -0.29 -4.94 117.38 119.19 3nsx n GLN 227 Ca -0.01 -3.03 -0.25 0.00 -0.01 0.00 0.00 57.00 53.70 3nsx n GLN 227 Cb 0.21 -2.09 0.04 0.00 1.02 0.00 0.00 30.24 29.43 3nsx n GLN 227 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3nsx n GLU 228 N 0.62 -5.91 -4.06 -1.09 -0.58 -0.22 -5.00 120.64 104.40 3nsx n GLU 228 Ca 0.26 0.67 -0.33 0.00 -0.42 0.00 0.00 57.16 57.34 3nsx n GLU 228 Cb 1.06 -5.51 -0.15 0.00 -0.57 0.00 0.00 31.44 26.27 3nsx n GLU 228 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3nsx s LEU 229 N -7.04 3.03 -0.26 -4.62 1.43 -0.48 -4.40 118.68 106.34 3nsx s LEU 229 Ca 0.41 -1.09 -0.11 0.00 -1.03 0.00 0.00 54.13 52.30 3nsx s LEU 229 Cb -0.20 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 3nsx s LEU 229 CO 0.80 -0.13 0.19 -0.13 0.23 0.00 0.00 176.35 177.31 3nsx s ARG 230 N 1.20 4.02 0.03 1.70 0.52 0.27 -2.35 118.95 124.34 3nsx s ARG 230 Ca -0.03 -0.26 -0.30 0.00 -0.52 0.00 0.00 55.73 54.61 3nsx s ARG 230 Cb -0.17 -3.60 -0.04 0.00 0.52 0.00 0.00 34.95 31.66 3nsx s ARG 230 CO -0.07 -0.07 1.03 -0.51 0.02 0.00 0.00 175.30 175.70 3nsx s LEU 231 N 1.44 4.39 -0.38 2.53 1.43 -1.26 -1.76 118.68 125.06 3nsx s LEU 231 Ca 0.08 1.77 0.03 0.00 -1.03 0.00 0.00 54.13 54.98 3nsx s LEU 231 Cb -0.15 -3.58 0.11 0.00 0.03 0.00 0.00 46.19 42.61 3nsx s LEU 231 CO 0.08 -0.28 0.11 -0.63 0.23 0.00 0.00 176.35 175.86 3nsx s ILE 232 N 0.87 2.13 0.27 -0.59 -1.09 -0.45 -4.49 121.20 117.85 3nsx s ILE 232 Ca 0.53 -2.46 -0.18 0.00 -2.23 0.00 0.00 60.65 56.31 3nsx s ILE 232 Cb -0.23 -2.56 -0.09 0.00 -1.58 0.00 0.00 42.46 38.00 3nsx s ILE 232 CO 0.29 -0.67 0.74 -2.84 -1.23 0.00 0.00 174.94 171.23 3nsx s PRO 233 N 0.70 4.16 0.31 2.79 0.02 -1.24 -0.95 135.00 140.79 3nsx s PRO 233 Ca 0.12 0.81 -0.17 0.00 0.02 0.00 0.00 61.00 61.79 3nsx s PRO 233 Cb -0.21 -2.67 -0.09 0.00 0.02 0.00 0.00 34.50 31.55 3nsx s PRO 233 CO -0.08 0.28 0.76 -1.50 -0.33 0.00 0.00 177.00 176.13 3nsx s ILE 234 N -1.73 4.62 -0.04 2.83 2.07 -0.54 -2.34 121.20 126.06 3nsx s ILE 234 Ca 0.48 1.09 0.03 0.00 -1.41 0.00 0.00 60.65 60.84 3nsx s ILE 234 Cb -0.14 -3.67 0.01 0.00 0.13 0.00 0.00 42.46 38.78 3nsx s ILE 234 CO 0.19 -0.10 -0.12 -0.63 -1.91 0.00 0.00 174.94 172.37 3nsx s ILE 235 N -1.89 1.06 0.24 2.00 -1.09 0.14 -4.91 121.20 116.75 3nsx s ILE 235 Ca 0.52 -0.48 0.06 0.00 -2.23 0.00 0.00 60.65 58.52 3nsx s ILE 235 Cb -0.12 -0.95 -0.03 0.00 -1.58 0.00 0.00 42.46 39.78 3nsx s ILE 235 CO 0.18 0.33 0.29 -1.81 -1.23 0.00 0.00 174.94 172.69 3nsx s ASP 236 N 0.34 5.98 0.26 3.58 1.01 -1.26 -1.24 116.67 125.33 3nsx s ASP 236 Ca -0.08 -0.06 -0.00 0.00 0.71 0.00 0.00 52.55 53.12 3nsx s ASP 236 Cb -0.12 -1.67 0.33 0.00 1.01 0.00 0.00 42.92 42.47 3nsx s ASP 236 CO 0.02 -0.05 1.69 0.00 0.21 0.00 0.00 175.17 177.04 3nsx h ALA 237 N 1.36 1.02 -2.45 5.23 0.00 -1.71 -3.44 119.26 119.28 3nsx h ALA 237 Ca -0.50 -0.35 -0.58 0.00 0.00 0.00 0.00 54.91 53.48 3nsx h ALA 237 Cb 1.23 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 3nsx h ALA 237 CO 0.61 0.58 0.31 0.20 0.00 0.00 0.00 179.25 180.96 3nsx s GLY 238 N -3.94 2.15 -0.23 0.00 0.00 -1.26 -4.21 107.32 99.83 3nsx s GLY 238 Ca -0.08 -0.00 -0.16 0.00 0.00 0.00 0.00 44.72 44.47 3nsx s GLY 238 CO 0.81 1.56 0.42 0.14 0.00 0.00 0.00 173.10 176.03 3nsx s VAL 239 N 1.97 5.16 0.26 1.40 1.01 -0.18 -4.73 120.40 125.29 3nsx s VAL 239 Ca 0.37 0.73 -0.31 0.00 0.00 0.00 0.00 61.98 62.77 3nsx s VAL 239 Cb -0.17 -3.75 -0.13 0.00 0.00 0.00 0.00 36.38 32.33 3nsx s VAL 239 CO 0.13 0.19 1.37 1.17 0.00 0.00 0.00 175.10 177.95 3nsx n LYS 240 N 4.94 2.01 -2.44 2.72 4.81 -1.26 -1.06 118.16 127.88 3nsx n LYS 240 Ca -0.07 0.71 -0.43 0.00 -0.87 0.00 0.00 58.31 57.65 3nsx n LYS 240 Cb 0.51 -2.34 -0.02 0.00 0.02 0.00 0.00 35.03 33.19 3nsx n LYS 240 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3nsx s VAL 241 N -0.27 4.06 -0.30 3.15 1.01 -0.25 -4.64 120.40 123.17 3nsx s VAL 241 Ca 0.66 1.12 -0.09 0.00 0.00 0.00 0.00 61.98 63.67 3nsx s VAL 241 Cb -0.64 -4.30 0.15 0.00 0.00 0.00 0.00 36.38 31.58 3nsx s VAL 241 CO 0.52 -0.74 0.67 -0.70 0.00 0.00 0.00 175.10 174.85 3nsx s GLU 242 N 4.58 0.55 0.28 2.72 2.12 -1.26 -4.92 118.70 122.76 3nsx s GLU 242 Ca 0.56 1.30 -0.30 0.00 0.36 0.00 0.00 54.97 56.88 3nsx s GLU 242 Cb -0.13 0.77 -0.12 0.00 0.26 0.00 0.00 34.13 34.92 3nsx s GLU 242 CO 0.29 -0.27 1.56 1.63 -0.54 0.00 0.00 175.26 177.93 3nsx n LYS 243 N 5.41 2.54 0.00 4.30 5.02 -1.26 -2.01 118.16 132.16 3nsx n LYS 243 Ca -0.10 0.90 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 3nsx n LYS 243 Cb 0.50 -2.66 0.00 0.00 -0.02 0.00 0.00 35.03 32.85 3nsx n LYS 243 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3nsx n GLY 244 N 2.23 2.08 3.62 0.72 0.00 -1.26 -5.01 105.19 107.56 3nsx n GLY 244 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 3nsx n GLY 244 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3nsx s TYR 245 N -2.32 3.09 0.29 1.61 5.04 -0.85 -4.94 117.35 119.26 3nsx s TYR 245 Ca 0.00 0.92 -0.01 0.00 -2.44 0.00 0.00 57.07 55.54 3nsx s TYR 245 Cb 0.00 -3.71 0.46 0.00 0.35 0.00 0.00 41.96 39.06 3nsx s TYR 245 CO 0.00 -0.83 1.93 1.49 -1.34 0.00 0.00 175.55 176.80 3nsx h GLU 246 N 8.38 1.08 -0.56 4.97 4.81 -1.95 0.08 114.58 131.39 3nsx h GLU 246 Ca -0.22 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 58.91 3nsx h GLU 246 Cb 1.07 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 3nsx h GLU 246 CO 1.01 0.71 0.21 0.28 -0.73 0.00 0.00 179.01 180.49 3nsx h VAL 247 N 1.11 1.23 -0.04 0.32 2.07 -1.92 -0.63 116.25 118.39 3nsx h VAL 247 Ca 0.36 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 3nsx h VAL 247 Cb 0.04 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3nsx h VAL 247 CO -0.11 0.28 0.01 0.22 0.02 0.00 0.00 177.57 177.99 3nsx h TYR 248 N 0.77 0.06 -0.51 1.57 3.20 -1.57 -2.05 116.97 118.43 3nsx h TYR 248 Ca 0.18 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3nsx h TYR 248 Cb 0.23 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 3nsx h TYR 248 CO 0.01 0.22 0.34 0.93 -1.64 0.00 0.00 178.16 178.02 3nsx h GLU 249 N -0.11 0.67 -0.48 1.82 4.39 -0.82 -1.19 114.58 118.86 3nsx h GLU 249 Ca 0.01 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 3nsx h GLU 249 Cb 0.19 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3nsx h GLU 249 CO -0.00 0.44 0.27 0.93 -1.16 0.00 0.00 179.01 179.50 3nsx h GLU 250 N 0.69 0.66 -0.64 2.33 5.08 -1.15 -0.91 114.58 120.64 3nsx h GLU 250 Ca 0.19 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3nsx h GLU 250 Cb -0.07 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 3nsx h GLU 250 CO -0.04 0.51 0.41 0.78 -1.00 0.00 0.00 179.01 179.66 3nsx h GLY 251 N 0.64 0.90 0.78 -3.84 0.00 -0.90 -1.23 103.07 99.41 3nsx h GLY 251 Ca 0.17 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 3nsx h GLY 251 CO -0.03 0.29 -0.02 -2.08 0.00 0.00 0.00 176.54 174.70 3nsx h VAL 252 N 0.82 1.11 -0.45 4.60 2.07 -1.10 -0.33 116.25 122.98 3nsx h VAL 252 Ca 0.24 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 3nsx h VAL 252 Cb -0.05 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3nsx h VAL 252 CO -0.07 0.13 0.08 0.50 0.02 0.00 0.00 177.57 178.22 3nsx h LYS 253 N -0.29 0.68 -0.60 1.57 3.64 -1.00 -2.95 116.57 117.62 3nsx h LYS 253 Ca -0.01 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3nsx h LYS 253 Cb 0.26 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3nsx h LYS 253 CO 0.01 0.65 0.00 0.09 -2.27 0.00 0.00 179.45 177.93 3nsx n ASN 254 N -4.28 3.70 -3.66 4.20 3.02 -0.48 -4.96 115.26 112.80 3nsx n ASN 254 Ca 0.03 -1.99 -0.21 0.00 -0.03 0.00 0.00 54.58 52.38 3nsx n ASN 254 Cb 0.23 -0.40 0.04 0.00 -0.61 0.00 0.00 39.78 39.04 3nsx n ASN 254 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3nsx n ASN 255 N 1.47 -1.40 -0.59 6.41 3.02 -0.88 -4.91 115.26 118.38 3nsx n ASN 255 Ca 0.22 -0.78 0.12 0.00 -0.03 0.00 0.00 54.58 54.10 3nsx n ASN 255 Cb 0.59 -4.24 0.18 0.00 -0.61 0.00 0.00 39.78 35.70 3nsx n ASN 255 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3nsx n TYR 256 N -4.26 0.00 -3.86 3.10 4.01 -0.19 -4.95 117.16 111.01 3nsx n TYR 256 Ca -0.29 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.20 3nsx n TYR 256 Cb 0.67 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.65 3nsx n TYR 256 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3nsx s PHE 257 N -2.26 3.48 0.24 -0.72 0.08 -1.25 -0.01 117.98 117.53 3nsx s PHE 257 Ca 0.25 0.15 -0.30 0.00 0.12 0.00 0.00 56.93 57.15 3nsx s PHE 257 Cb 0.19 -1.70 -0.10 0.00 -0.57 0.00 0.00 43.02 40.85 3nsx s PHE 257 CO 0.44 0.45 1.37 0.00 -0.10 0.00 0.00 175.22 177.38 3nsx s LYS 259 N -0.46 2.43 1.07 0.00 1.02 -1.19 -1.62 119.74 121.00 3nsx s LYS 259 Ca 0.57 -1.15 -0.15 0.00 0.02 0.00 0.00 55.97 55.26 3nsx s LYS 259 Cb -0.39 -2.35 0.22 0.00 -0.52 0.00 0.00 37.83 34.79 3nsx s LYS 259 CO 0.42 0.44 1.12 1.03 -0.92 0.00 0.00 175.35 177.44 3nsx s ARG 260 N -3.12 -0.15 0.39 1.68 0.52 0.95 -0.80 118.95 118.42 3nsx s ARG 260 Ca 0.28 0.18 0.10 0.00 -0.52 0.00 0.00 55.73 55.77 3nsx s ARG 260 Cb -0.09 -1.70 0.88 0.00 0.52 0.00 0.00 34.95 34.57 3nsx s ARG 260 CO 0.19 -3.05 1.96 1.49 0.02 0.00 0.00 175.30 175.91 3nsx h GLU 261 N -2.11 0.57 -0.06 3.54 4.81 -1.88 -1.26 114.58 118.18 3nsx h GLU 261 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3nsx h GLU 261 Cb 1.31 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3nsx h GLU 261 CO 0.48 0.38 0.00 -0.40 -0.73 0.00 0.00 179.01 178.74 3nsx n ASP 262 N -4.48 0.73 0.00 1.04 5.75 -1.26 -4.90 116.55 113.43 3nsx n ASP 262 Ca 0.11 -1.50 0.00 0.00 -0.01 0.00 0.00 54.79 53.39 3nsx n ASP 262 Cb 0.32 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 3nsx n ASP 262 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3nsx n GLY 263 N 0.96 0.95 3.79 6.12 0.00 -0.48 -5.06 105.19 111.48 3nsx n GLY 263 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3nsx n GLY 263 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3nsx s SER 264 N -2.81 5.50 -0.13 1.61 1.04 -1.26 -4.72 113.70 112.93 3nsx s SER 264 Ca 0.00 1.84 -0.29 0.00 0.48 0.00 0.00 55.95 57.97 3nsx s SER 264 Cb 0.00 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.56 3nsx s SER 264 CO 0.00 -1.36 1.29 -1.81 0.98 0.00 0.00 173.24 172.34 3nsx s ASP 265 N -2.89 6.94 0.27 7.02 1.01 -1.26 -0.03 116.67 127.72 3nsx s ASP 265 Ca 0.64 1.78 -0.30 0.00 0.71 0.00 0.00 52.55 55.38 3nsx s ASP 265 Cb -0.17 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.12 3nsx s ASP 265 CO 0.41 -0.74 1.37 0.12 0.21 0.00 0.00 175.17 176.54 3nsx s PHE 266 N 3.24 3.08 -0.19 4.23 5.36 -0.64 -4.82 117.98 128.24 3nsx s PHE 266 Ca 0.57 1.20 -0.07 0.00 -0.96 0.00 0.00 56.93 57.67 3nsx s PHE 266 Cb -0.24 -3.73 -0.04 0.00 -0.34 0.00 0.00 43.02 38.68 3nsx s PHE 266 CO 0.18 -2.23 0.05 0.08 -1.46 0.00 0.00 175.22 171.85 3nsx s VAL 267 N -0.37 4.58 -0.07 3.12 1.01 -1.26 -4.41 120.40 122.99 3nsx s VAL 267 Ca 0.55 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.45 3nsx s VAL 267 Cb -0.40 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 32.92 3nsx s VAL 267 CO 0.46 0.43 -0.13 0.00 0.00 0.00 0.00 175.10 175.86 3nsx s ALA 268 N 0.66 1.33 -0.02 5.51 0.00 -0.59 -3.70 121.76 124.95 3nsx s ALA 268 Ca 0.03 -0.46 -0.27 0.00 0.00 0.00 0.00 51.96 51.26 3nsx s ALA 268 Cb -0.13 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 3nsx s ALA 268 CO 0.02 0.12 0.87 0.00 0.00 0.00 0.00 175.76 176.77 3nsx s ALA 269 N 0.66 3.23 0.00 0.00 0.00 -0.07 -0.38 121.76 125.21 3nsx s ALA 269 Ca -0.14 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.20 3nsx s ALA 269 Cb -0.16 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3nsx s ALA 269 CO 0.04 -0.17 0.00 0.28 0.00 0.00 0.00 175.76 175.91 3nsx n VAL 270 N 3.81 0.00 -0.33 0.00 0.31 -0.36 -0.76 118.33 120.99 3nsx n VAL 270 Ca 0.03 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.48 3nsx n VAL 270 Cb 0.51 0.00 0.30 0.00 -0.91 0.00 0.00 33.84 33.74 3nsx n VAL 270 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 3nsx h TRP 271 N 0.00 0.95 -0.06 3.52 4.06 -1.96 -0.58 115.95 121.88 3nsx h TRP 271 Ca 0.00 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.99 3nsx h TRP 271 Cb 0.00 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 27.88 3nsx h TRP 271 CO 0.00 0.18 0.00 -2.30 -3.56 0.00 0.00 178.44 172.76 3nsx n PRO 272 N -4.83 1.17 0.00 0.49 -0.02 -1.26 -4.98 135.00 125.57 3nsx n PRO 272 Ca 0.22 -0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3nsx n PRO 272 Cb 0.56 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 3nsx n PRO 272 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nsx n GLY 273 N 0.71 0.43 3.71 -1.23 0.00 -0.23 -4.89 105.19 103.69 3nsx n GLY 273 Ca 0.07 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 3nsx n GLY 273 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3nsx n ASP 274 N 3.81 3.67 -4.26 1.61 8.00 -1.26 -1.23 116.55 126.89 3nsx n ASP 274 Ca 0.00 1.09 -0.14 0.00 0.71 0.00 0.00 54.79 56.45 3nsx n ASP 274 Cb 0.00 -1.53 -0.10 0.00 -0.02 0.00 0.00 41.12 39.46 3nsx n ASP 274 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3nsx s THR 275 N 0.75 0.54 0.18 -3.53 -4.23 0.49 -1.09 115.64 108.76 3nsx s THR 275 Ca 0.73 -1.98 0.09 0.00 -1.18 0.00 0.00 61.69 59.35 3nsx s THR 275 Cb -0.55 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 3nsx s THR 275 CO 0.38 -0.25 -0.12 -1.00 -0.54 0.00 0.00 174.62 173.09 3nsx s HIS 276 N -3.76 2.58 -0.22 3.99 3.76 -0.22 -1.55 115.29 119.88 3nsx s HIS 276 Ca 0.31 -0.24 -0.11 0.00 -0.15 0.00 0.00 55.06 54.87 3nsx s HIS 276 Cb 0.07 -1.27 -0.05 0.00 1.11 0.00 0.00 32.58 32.44 3nsx s HIS 276 CO 0.08 0.50 0.17 -0.06 -0.85 0.00 0.00 174.74 174.58 3nsx s PHE 277 N -1.66 3.36 0.42 1.40 0.08 -1.26 -1.01 117.98 119.31 3nsx s PHE 277 Ca 0.24 0.30 -0.26 0.00 0.12 0.00 0.00 56.93 57.34 3nsx s PHE 277 Cb -0.09 -2.24 -0.10 0.00 -0.57 0.00 0.00 43.02 40.02 3nsx s PHE 277 CO 0.14 0.16 1.33 -2.30 -0.10 0.00 0.00 175.22 174.45 3nsx n PRO 278 N 3.97 2.09 -2.61 0.24 -0.02 -1.26 -0.52 135.00 136.88 3nsx n PRO 278 Ca -0.15 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.66 3nsx n PRO 278 Cb 0.52 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 3nsx n PRO 278 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3nsx s ASP 279 N -0.46 6.46 0.37 2.55 -1.08 0.98 -4.61 116.67 120.88 3nsx s ASP 279 Ca 0.60 -1.38 0.27 0.00 -0.52 0.00 0.00 52.55 51.52 3nsx s ASP 279 Cb -0.50 -2.54 1.24 0.00 -1.46 0.00 0.00 42.92 39.66 3nsx s ASP 279 CO 0.59 -1.49 1.82 0.24 0.52 0.00 0.00 175.17 176.85 3nsx h MET 280 N 9.70 0.00 -0.01 4.34 2.86 -1.89 -1.36 114.93 128.57 3nsx h MET 280 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3nsx h MET 280 Cb 1.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.68 3nsx h MET 280 CO 1.36 0.00 -0.35 1.28 1.06 0.00 0.00 176.91 180.26 3nsx n LEU 281 N -2.51 1.71 -4.57 1.22 4.32 -1.26 -4.72 117.00 111.19 3nsx n LEU 281 Ca 0.01 -0.58 -0.43 0.00 -0.02 0.00 0.00 56.01 54.99 3nsx n LEU 281 Cb 0.19 -0.04 -0.05 0.00 -1.62 0.00 0.00 43.42 41.90 3nsx n LEU 281 CO 0.19 0.31 0.59 0.21 -1.22 0.00 0.00 177.39 177.48 3nsx s ASN 282 N -2.44 6.50 0.29 -1.43 3.84 -0.51 -4.67 114.94 116.52 3nsx s ASN 282 Ca 0.22 0.17 -0.01 0.00 0.21 0.00 0.00 52.86 53.45 3nsx s ASN 282 Cb 0.19 -2.40 0.45 0.00 -0.55 0.00 0.00 41.25 38.94 3nsx s ASN 282 CO 0.53 -0.83 1.92 -0.65 -2.79 0.00 0.00 177.10 175.29 3nsx h PRO 283 N 8.71 1.09 -0.52 0.43 0.11 -1.85 0.12 132.00 140.09 3nsx h PRO 283 Ca -0.25 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.71 3nsx h PRO 283 Cb 1.09 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 3nsx h PRO 283 CO 0.94 0.72 -0.04 0.93 -0.21 0.00 0.00 178.00 180.34 3nsx h GLU 284 N 1.12 0.91 -0.34 1.05 4.39 -1.93 -1.92 114.58 117.86 3nsx h GLU 284 Ca 0.37 -0.28 -0.13 0.00 0.34 0.00 0.00 59.36 59.65 3nsx h GLU 284 Cb 0.06 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 3nsx h GLU 284 CO -0.12 0.93 -0.33 0.00 -1.16 0.00 0.00 179.01 178.33 3nsx h ALA 285 N 1.11 0.78 -0.28 3.43 0.00 -1.40 -1.60 119.26 121.30 3nsx h ALA 285 Ca 0.15 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3nsx h ALA 285 Cb 0.55 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3nsx h ALA 285 CO 0.03 0.65 0.16 0.00 0.00 0.00 0.00 179.25 180.09 3nsx h ARG 286 N 0.63 0.32 -0.49 0.00 3.08 -0.68 0.03 114.38 117.27 3nsx h ARG 286 Ca 0.07 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3nsx h ARG 286 Cb 0.86 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 3nsx h ARG 286 CO 0.08 0.21 0.24 -0.22 -1.07 0.00 0.00 179.97 179.21 3nsx h LYS 287 N 0.33 0.71 -0.17 0.04 3.64 -1.18 -0.87 116.57 119.07 3nsx h LYS 287 Ca 0.11 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3nsx h LYS 287 Cb 0.01 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3nsx h LYS 287 CO -0.06 0.59 0.10 2.35 -2.27 0.00 0.00 179.45 180.16 3nsx h TRP 288 N 0.65 0.19 -0.10 1.91 7.01 -1.07 -0.34 115.95 124.20 3nsx h TRP 288 Ca 0.17 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 3nsx h TRP 288 Cb 0.11 -0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.10 3nsx h TRP 288 CO -0.01 0.12 0.04 0.35 -2.79 0.00 0.00 178.44 176.15 3nsx h PHE 289 N 0.21 0.16 -0.99 2.65 3.57 -0.81 -2.89 116.94 118.85 3nsx h PHE 289 Ca 0.06 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.58 3nsx h PHE 289 Cb -0.01 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.63 3nsx h PHE 289 CO -0.08 0.27 0.65 0.78 -2.23 0.00 0.00 178.31 177.70 3nsx h GLY 290 N 0.00 1.43 2.00 2.40 0.00 -1.10 -1.94 103.07 105.87 3nsx h GLY 290 Ca 0.03 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3nsx h GLY 290 CO -0.00 0.44 -0.02 -0.55 0.00 0.00 0.00 176.54 176.41 3nsx h ASP 291 N 1.27 0.00 0.17 0.19 3.32 -0.86 -1.92 116.42 118.59 3nsx h ASP 291 Ca 0.39 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 3nsx h ASP 291 Cb -0.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 3nsx h ASP 291 CO -0.11 0.02 -0.05 0.11 -1.72 0.00 0.00 179.24 177.49 3nsx h LYS 292 N 0.00 0.00 0.00 3.56 1.79 -1.15 -1.71 116.57 119.06 3nsx h LYS 292 Ca -0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3nsx h LYS 292 Cb 0.05 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 3nsx h LYS 292 CO 0.00 0.05 -0.01 1.88 -1.08 0.00 0.00 179.45 180.29 3nsx h TYR 293 N 0.00 0.00 -0.63 -1.35 -1.99 -1.47 -1.93 116.97 109.60 3nsx h TYR 293 Ca -0.00 0.00 0.13 0.00 2.00 0.00 0.00 58.73 60.86 3nsx h TYR 293 Cb 0.15 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.84 3nsx h TYR 293 CO 0.00 0.01 0.43 0.00 -0.00 0.00 0.00 178.16 178.60 3nsx h ARG 294 N 0.00 0.30 -0.78 4.88 3.08 -1.51 -1.48 114.38 118.87 3nsx h ARG 294 Ca -0.00 -0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.20 3nsx h ARG 294 Cb 0.05 -0.07 -0.11 0.00 0.08 0.00 0.00 29.97 29.93 3nsx h ARG 294 CO 0.00 0.20 0.27 0.35 -1.07 0.00 0.00 179.97 179.72 3nsx h PHE 295 N 0.31 0.44 0.11 3.04 3.57 -1.56 0.21 116.94 123.07 3nsx h PHE 295 Ca 0.30 0.04 -0.34 0.00 3.53 0.00 0.00 57.97 61.50 3nsx h PHE 295 Cb 0.76 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 3nsx h PHE 295 CO -0.00 -0.03 -1.82 -0.07 -2.23 0.00 0.00 178.31 174.16 3nsx h LEU 296 N 0.36 0.37 -0.87 0.59 3.38 -1.51 -3.34 115.31 114.30 3nsx h LEU 296 Ca 0.45 -0.71 0.03 0.00 0.09 0.00 0.00 57.88 57.74 3nsx h LEU 296 Cb 0.76 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 3nsx h LEU 296 CO -0.48 1.63 0.56 0.40 0.09 0.00 0.00 178.44 180.63 3nsx h ILE 297 N 0.06 1.14 0.00 1.22 2.04 -1.03 -0.49 117.51 120.46 3nsx h ILE 297 Ca -0.35 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3nsx h ILE 297 Cb 2.04 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 3nsx h ILE 297 CO 0.12 0.20 0.00 0.47 0.00 0.00 0.00 178.15 178.93 3nsx n ASP 298 N -4.54 0.57 -1.09 1.72 8.00 0.04 -1.53 116.55 119.71 3nsx n ASP 298 Ca 0.11 0.68 0.12 0.00 0.71 0.00 0.00 54.79 56.40 3nsx n ASP 298 Cb 0.09 -0.78 0.22 0.00 -0.02 0.00 0.00 41.12 40.63 3nsx n ASP 298 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3nsx n GLN 299 N -2.17 2.44 0.00 -1.24 6.02 -0.23 -4.94 117.38 117.25 3nsx n GLN 299 Ca 0.01 -2.16 0.00 0.00 -0.01 0.00 0.00 57.00 54.84 3nsx n GLN 299 Cb 0.16 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.92 3nsx n GLN 299 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3nsx n GLY 300 N 1.47 0.89 3.73 1.08 0.00 -0.58 -4.48 105.19 107.30 3nsx n GLY 300 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3nsx n GLY 300 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nsx s ILE 301 N -2.00 4.45 0.00 -0.61 -1.09 -0.98 -4.95 121.20 116.01 3nsx s ILE 301 Ca 0.00 2.05 0.00 0.00 -2.23 0.00 0.00 60.65 60.47 3nsx s ILE 301 Cb 0.00 -4.31 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 3nsx s ILE 301 CO 0.00 0.33 0.94 -0.62 -1.23 0.00 0.00 174.94 174.36 3nsx n GLU 302 N 2.69 2.60 -3.48 2.79 1.02 -1.26 -4.33 120.64 120.67 3nsx n GLU 302 Ca 0.02 -1.39 -0.14 0.00 -0.02 0.00 0.00 57.16 55.63 3nsx n GLU 302 Cb 0.49 -0.98 -0.04 0.00 -0.02 0.00 0.00 31.44 30.89 3nsx n GLU 302 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3nsx s GLY 303 N -0.89 -0.56 0.06 0.62 0.00 -1.26 -1.90 107.32 103.39 3nsx s GLY 303 Ca 0.00 1.00 -0.06 0.00 0.00 0.00 0.00 44.72 45.66 3nsx s GLY 303 CO 0.00 0.57 0.11 -1.36 0.00 0.00 0.00 173.10 172.42 3nsx s PHE 304 N -2.45 0.25 -0.02 1.90 0.08 0.10 -3.65 117.98 114.18 3nsx s PHE 304 Ca -0.04 -0.66 0.03 0.00 0.12 0.00 0.00 56.93 56.39 3nsx s PHE 304 Cb -0.01 -0.16 -0.00 0.00 -0.57 0.00 0.00 43.02 42.28 3nsx s PHE 304 CO -0.02 -0.45 -0.11 1.67 -0.10 0.00 0.00 175.22 176.21 3nsx s TRP 305 N -3.47 1.03 -0.21 0.36 1.48 -0.99 -2.86 118.94 114.28 3nsx s TRP 305 Ca 0.02 -0.22 -0.07 0.00 -1.06 0.00 0.00 56.10 54.77 3nsx s TRP 305 Cb 0.04 -0.69 -0.04 0.00 -1.16 0.00 0.00 33.47 31.62 3nsx s TRP 305 CO -0.09 -0.05 0.07 -0.80 -4.06 0.00 0.00 176.95 172.02 3nsx s ASN 306 N -0.11 5.44 0.31 -2.66 0.02 0.01 -0.68 114.94 117.27 3nsx s ASN 306 Ca 0.02 -0.04 0.05 0.00 -1.02 0.00 0.00 52.86 51.86 3nsx s ASN 306 Cb -0.06 -1.95 -0.06 0.00 0.02 0.00 0.00 41.25 39.19 3nsx s ASN 306 CO -0.00 0.08 0.02 -0.62 0.02 0.00 0.00 177.10 176.60 3nsx s ASP 307 N 0.93 2.51 -1.75 -1.22 2.15 -0.38 -1.55 116.67 117.36 3nsx s ASP 307 Ca 0.04 -1.31 0.00 0.00 0.43 0.00 0.00 52.55 51.71 3nsx s ASP 307 Cb -0.14 -0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.37 3nsx s ASP 307 CO 0.03 -0.52 0.00 0.23 -0.17 0.00 0.00 175.17 174.74 3nsx n MET 308 N -0.65 -1.69 -1.10 4.34 2.81 -1.26 -2.60 117.12 116.97 3nsx n MET 308 Ca -0.04 0.99 -0.17 0.00 -1.81 0.00 0.00 57.70 56.67 3nsx n MET 308 Cb 0.65 -5.56 0.17 0.00 -0.71 0.00 0.00 33.22 27.78 3nsx n MET 308 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3nsx n ASN 309 N -1.74 3.58 -0.29 7.83 6.94 -1.26 -1.44 115.26 128.88 3nsx n ASN 309 Ca -0.22 -3.71 -0.06 0.00 -0.02 0.00 0.00 54.58 50.57 3nsx n ASN 309 Cb 0.66 -0.75 0.06 0.00 -2.36 0.00 0.00 39.78 37.39 3nsx n ASN 309 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 3nsx h GLU 310 N 1.13 1.18 -6.41 -3.83 3.07 -1.90 -2.45 114.58 105.37 3nsx h GLU 310 Ca 0.45 -0.22 -0.54 0.00 -0.50 0.00 0.00 59.36 58.55 3nsx h GLU 310 Cb 2.14 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 29.83 3nsx h GLU 310 CO 0.84 0.97 0.00 -1.25 -1.40 0.00 0.00 179.01 178.17 3nsx s PRO 311 N -5.52 4.13 0.35 2.33 0.04 -1.26 -4.58 135.00 130.48 3nsx s PRO 311 Ca -0.12 0.69 -0.27 0.00 0.04 0.00 0.00 61.00 61.33 3nsx s PRO 311 Cb 0.15 -2.96 -0.09 0.00 0.04 0.00 0.00 34.50 31.65 3nsx s PRO 311 CO 0.84 0.47 1.18 0.00 0.04 0.00 0.00 177.00 179.53 3nsx s ALA 312 N -1.44 3.31 -0.10 8.56 0.00 -0.52 -5.00 121.76 126.56 3nsx s ALA 312 Ca 0.39 1.01 -0.02 0.00 0.00 0.00 0.00 51.96 53.34 3nsx s ALA 312 Cb -0.16 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.61 3nsx s ALA 312 CO 0.20 -0.45 0.03 0.42 0.00 0.00 0.00 175.76 175.96 3nsx s ILE 313 N -1.28 0.28 0.13 0.00 1.01 -1.26 -4.89 121.20 115.18 3nsx s ILE 313 Ca 0.52 -0.01 -0.12 0.00 0.00 0.00 0.00 60.65 61.04 3nsx s ILE 313 Cb -0.33 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 3nsx s ILE 313 CO 0.42 0.09 1.49 -0.26 0.00 0.00 0.00 174.94 176.68 3nsx h PHE 314 N 8.34 1.02 -1.97 3.97 0.04 -1.26 0.13 116.94 127.21 3nsx h PHE 314 Ca -0.17 -0.28 0.17 0.00 2.80 0.00 0.00 57.97 60.49 3nsx h PHE 314 Cb 1.13 -0.23 -0.16 0.00 2.20 0.00 0.00 35.95 38.89 3nsx h PHE 314 CO 0.40 1.07 0.62 1.52 -0.60 0.00 0.00 178.31 181.32 3nsx s TYR 315 N -4.52 -0.26 0.41 -0.55 -0.85 -1.25 -3.95 117.35 106.38 3nsx s TYR 315 Ca -0.12 0.15 0.08 0.00 -0.52 0.00 0.00 57.07 56.66 3nsx s TYR 315 Cb 0.11 0.53 -0.01 0.00 0.38 0.00 0.00 41.96 42.96 3nsx s TYR 315 CO 0.86 -0.42 0.42 -1.54 -1.52 0.00 0.00 175.55 173.34 3nsx s SER 316 N -2.39 5.24 0.29 -0.18 1.04 -1.26 -0.89 113.70 115.55 3nsx s SER 316 Ca 0.07 -0.63 -0.02 0.00 0.48 0.00 0.00 55.95 55.85 3nsx s SER 316 Cb -0.01 -0.65 0.41 0.00 0.10 0.00 0.00 66.02 65.87 3nsx s SER 316 CO -0.07 -0.64 1.92 0.28 0.98 0.00 0.00 173.24 175.71 3nsx h SER 317 N 0.95 0.93 -0.17 7.02 0.02 -1.98 -0.78 113.55 119.54 3nsx h SER 317 Ca -0.41 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 3nsx h SER 317 Cb 1.27 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 3nsx h SER 317 CO 0.54 0.73 0.03 -0.33 -1.14 0.00 0.00 176.83 176.67 3nsx h GLU 318 N 1.06 0.28 -0.42 3.45 3.07 -1.95 -2.15 114.58 117.92 3nsx h GLU 318 Ca 0.27 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.05 3nsx h GLU 318 Cb -0.01 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 3nsx h GLU 318 CO -0.05 0.44 0.23 0.78 -1.40 0.00 0.00 179.01 179.01 3nsx h GLY 319 N 0.07 0.62 1.00 -3.84 0.00 -1.88 -1.70 103.07 97.35 3nsx h GLY 319 Ca 0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 3nsx h GLY 319 CO 0.00 0.27 0.44 -2.00 0.00 0.00 0.00 176.54 175.25 3nsx h LEU 320 N 0.54 0.86 -0.62 3.11 5.85 -1.12 -0.67 115.31 123.25 3nsx h LEU 320 Ca 0.15 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3nsx h LEU 320 Cb 0.06 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3nsx h LEU 320 CO -0.02 0.66 0.33 0.00 -0.34 0.00 0.00 178.44 179.07 3nsx h ALA 321 N 1.23 0.80 -0.70 1.25 0.00 -1.11 -0.61 119.26 120.12 3nsx h ALA 321 Ca 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3nsx h ALA 321 Cb -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3nsx h ALA 321 CO -0.05 0.33 0.45 0.93 0.00 0.00 0.00 179.25 180.91 3nsx h GLU 322 N 0.85 0.93 -0.54 0.00 5.08 -1.00 -1.28 114.58 118.62 3nsx h GLU 322 Ca 0.22 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 3nsx h GLU 322 Cb 0.06 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3nsx h GLU 322 CO -0.03 0.64 0.12 0.00 -1.00 0.00 0.00 179.01 178.73 3nsx h ALA 323 N 1.24 0.71 -0.64 3.43 0.00 -0.72 -0.88 119.26 122.39 3nsx h ALA 323 Ca 0.25 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3nsx h ALA 323 Cb -0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3nsx h ALA 323 CO -0.05 0.42 0.11 0.87 0.00 0.00 0.00 179.25 180.60 3nsx h LYS 324 N 0.76 1.06 -0.37 0.00 1.57 -0.96 0.22 116.57 118.85 3nsx h LYS 324 Ca 0.17 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3nsx h LYS 324 Cb 0.36 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3nsx h LYS 324 CO 0.00 0.97 0.23 1.49 -0.57 0.00 0.00 179.45 181.58 3nsx h GLU 325 N 0.97 0.46 -0.53 3.15 4.81 -1.01 -0.86 114.58 121.57 3nsx h GLU 325 Ca 0.20 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3nsx h GLU 325 Cb 0.42 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 3nsx h GLU 325 CO 0.01 0.31 0.29 0.35 -0.73 0.00 0.00 179.01 179.24 3nsx h PHE 326 N 0.48 0.73 -0.62 0.92 3.57 -0.91 -2.30 116.94 118.81 3nsx h PHE 326 Ca 0.14 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3nsx h PHE 326 Cb -0.03 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 3nsx h PHE 326 CO -0.06 0.54 0.36 0.00 -2.23 0.00 0.00 178.31 176.92 3nsx h ALA 327 N 1.13 1.48 -0.67 2.41 0.00 -0.67 -0.71 119.26 122.22 3nsx h ALA 327 Ca 0.19 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3nsx h ALA 327 Cb 0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3nsx h ALA 327 CO -0.03 0.45 0.19 0.78 0.00 0.00 0.00 179.25 180.64 3nsx h GLY 328 N 0.89 1.12 1.00 0.00 0.00 -0.65 -0.72 103.07 104.72 3nsx h GLY 328 Ca 0.22 -0.66 -0.11 0.00 0.00 0.00 0.00 47.33 46.78 3nsx h GLY 328 CO -0.04 0.62 -0.20 0.83 0.00 0.00 0.00 176.54 177.75 3nsx h GLU 329 N 1.00 0.79 -0.63 4.80 4.39 -0.79 -2.91 114.58 121.22 3nsx h GLU 329 Ca 0.22 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 3nsx h GLU 329 Cb 0.31 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 3nsx h GLU 329 CO -0.00 0.98 0.38 0.35 -1.16 0.00 0.00 179.01 179.56 3nsx h PHE 330 N 0.58 0.83 -0.68 4.33 3.57 -1.01 -1.96 116.94 122.59 3nsx h PHE 330 Ca 0.08 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3nsx h PHE 330 Cb 0.76 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 3nsx h PHE 330 CO 0.06 0.56 0.45 0.00 -2.23 0.00 0.00 178.31 177.14 3nsx h ALA 331 N 1.20 1.50 -0.02 2.41 0.00 -1.05 -2.57 119.26 120.72 3nsx h ALA 331 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3nsx h ALA 331 Cb -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3nsx h ALA 331 CO -0.04 0.46 -0.15 0.36 0.00 0.00 0.00 179.25 179.88 3nsx n LYS 332 N -4.43 1.75 -1.95 0.00 2.85 -1.11 -4.91 118.16 110.37 3nsx n LYS 332 Ca 0.07 -1.34 -0.42 0.00 -1.05 0.00 0.00 58.31 55.57 3nsx n LYS 332 Cb 0.04 -1.47 -0.03 0.00 -0.65 0.00 0.00 35.03 32.92 3nsx n LYS 332 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3nsx s ASP 333 N -2.18 6.49 -0.00 -5.58 3.68 -0.76 -4.85 116.67 113.48 3nsx s ASP 333 Ca 0.27 2.15 0.11 0.00 2.13 0.00 0.00 52.55 57.21 3nsx s ASP 333 Cb 0.20 -2.53 -0.13 0.00 -1.45 0.00 0.00 42.92 39.01 3nsx s ASP 333 CO 0.40 -1.09 0.47 0.35 0.13 0.00 0.00 175.17 175.43 3nsx n THR 334 N 5.85 0.00 0.97 1.71 -2.24 -1.26 -4.56 114.28 114.74 3nsx n THR 334 Ca 0.19 -0.23 0.11 0.00 -2.27 0.00 0.00 64.05 61.85 3nsx n THR 334 Cb 0.43 0.96 0.08 0.00 -2.10 0.00 0.00 70.33 69.71 3nsx n THR 334 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3nsx n GLU 335 N -1.30 2.09 -1.96 -0.78 1.02 -1.26 -4.96 120.64 113.49 3nsx n GLU 335 Ca 0.02 -1.76 -0.12 0.00 -0.02 0.00 0.00 57.16 55.28 3nsx n GLU 335 Cb 0.18 -1.45 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 3nsx n GLU 335 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3nsx n GLY 336 N 1.31 0.30 0.12 0.62 0.00 -1.26 -4.91 105.19 101.37 3nsx n GLY 336 Ca 0.13 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 3nsx n GLY 336 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3nsx h LYS 337 N 0.00 0.14 -4.51 1.61 1.57 -1.92 -3.41 116.57 110.05 3nsx h LYS 337 Ca -0.26 -0.16 -0.71 0.00 -1.87 0.00 0.00 60.65 57.64 3nsx h LYS 337 Cb 1.07 0.05 -0.26 0.00 0.08 0.00 0.00 32.23 33.17 3nsx h LYS 337 CO 0.33 0.92 -0.48 0.42 -0.57 0.00 0.00 179.45 180.07 3nsx s ILE 338 N -3.18 4.52 0.47 1.86 1.01 -1.26 -5.08 121.20 119.54 3nsx s ILE 338 Ca -0.02 -1.08 -0.20 0.00 0.00 0.00 0.00 60.65 59.35 3nsx s ILE 338 Cb 0.10 -3.63 -0.09 0.00 0.01 0.00 0.00 42.46 38.85 3nsx s ILE 338 CO 0.82 -0.37 0.99 -1.00 0.00 0.00 0.00 174.94 175.37 3nsx s HIS 339 N 1.52 3.22 0.37 3.97 3.76 -1.26 -4.95 115.29 121.91 3nsx s HIS 339 Ca 0.02 1.57 0.05 0.00 -0.15 0.00 0.00 55.06 56.56 3nsx s HIS 339 Cb -0.21 -2.91 0.74 0.00 1.11 0.00 0.00 32.58 31.30 3nsx s HIS 339 CO 0.05 -0.42 2.01 -1.35 -0.85 0.00 0.00 174.74 174.18 3nsx h PRO 340 N 1.56 0.71 0.00 8.40 0.11 -1.97 -1.33 132.00 139.47 3nsx h PRO 340 Ca -0.49 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 3nsx h PRO 340 Cb 1.19 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3nsx h PRO 340 CO 0.60 0.47 -0.21 0.11 -0.21 0.00 0.00 178.00 178.76 3nsx h TRP 341 N 0.74 0.00 -0.22 0.65 0.09 -1.99 -0.36 115.95 114.86 3nsx h TRP 341 Ca 0.24 0.00 -0.17 0.00 0.09 0.00 0.00 58.89 59.05 3nsx h TRP 341 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.27 3nsx h TRP 341 CO -0.00 0.21 -0.55 0.00 0.09 0.00 0.00 178.44 178.19 3nsx h ALA 342 N 1.79 0.62 -0.34 0.11 0.00 -1.63 -0.62 119.26 119.19 3nsx h ALA 342 Ca -0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 3nsx h ALA 342 Cb 0.52 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3nsx h ALA 342 CO 0.03 0.69 0.14 1.98 0.00 0.00 0.00 179.25 182.08 3nsx h MET 343 N 0.50 0.51 -0.68 0.00 1.85 -1.10 -1.78 114.93 114.23 3nsx h MET 343 Ca 0.01 -0.09 0.02 0.00 -0.61 0.00 0.00 59.70 59.02 3nsx h MET 343 Cb 1.12 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 33.03 3nsx h MET 343 CO 0.11 0.50 0.44 0.37 -0.40 0.00 0.00 176.91 177.94 3nsx h GLN 344 N 0.40 0.87 -0.65 0.39 4.15 -0.99 -2.43 115.11 116.85 3nsx h GLN 344 Ca 0.11 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 3nsx h GLN 344 Cb 0.18 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 3nsx h GLN 344 CO -0.01 0.57 0.32 0.00 -1.93 0.00 0.00 178.83 177.78 3nsx h ALA 345 N 1.27 0.84 -0.93 3.38 0.00 -0.91 -1.77 119.26 121.15 3nsx h ALA 345 Ca 0.26 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3nsx h ALA 345 Cb -0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.43 3nsx h ALA 345 CO -0.07 0.40 0.61 -0.22 0.00 0.00 0.00 179.25 179.97 3nsx h LYS 346 N 0.90 1.21 -0.46 0.00 1.63 -1.05 0.76 116.57 119.55 3nsx h LYS 346 Ca 0.23 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.91 3nsx h LYS 346 Cb 0.11 -0.27 -0.02 0.00 -0.60 0.00 0.00 32.23 31.45 3nsx h LYS 346 CO -0.03 0.80 0.13 0.52 -3.45 0.00 0.00 179.45 177.42 3nsx h MET 347 N 1.25 0.73 -0.77 1.90 2.86 -0.97 -2.50 114.93 117.43 3nsx h MET 347 Ca 0.34 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 3nsx h MET 347 Cb -0.13 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.39 3nsx h MET 347 CO -0.08 0.71 0.45 0.87 1.06 0.00 0.00 176.91 179.92 3nsx h LYS 348 N 0.62 1.04 0.00 1.72 1.79 -0.92 -3.13 116.57 117.69 3nsx h LYS 348 Ca 0.15 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3nsx h LYS 348 Cb 0.29 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 3nsx h LYS 348 CO -0.00 0.74 0.00 -0.44 -1.08 0.00 0.00 179.45 178.67 3nsx h ASP 349 N 1.06 0.00 0.52 0.86 3.32 -0.40 -2.68 116.42 119.09 3nsx h ASP 349 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3nsx h ASP 349 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3nsx h ASP 349 CO -0.05 0.00 -0.08 2.30 -1.72 0.00 0.00 179.24 179.69 3nsx n ILE 350 N -2.47 0.00 -3.35 0.35 -5.35 -1.14 -4.40 119.36 103.00 3nsx n ILE 350 Ca 0.02 -0.03 -0.38 0.00 -0.27 0.00 0.00 62.75 62.10 3nsx n ILE 350 Cb 0.30 -0.26 -0.06 0.00 -1.74 0.00 0.00 39.64 37.87 3nsx n ILE 350 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3nsx s VAL 351 N -2.60 5.20 -1.46 7.28 1.01 -1.01 -4.09 120.40 124.73 3nsx s VAL 351 Ca 0.26 0.85 -0.02 0.00 0.00 0.00 0.00 61.98 63.07 3nsx s VAL 351 Cb 0.20 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.80 3nsx s VAL 351 CO 0.49 0.31 0.24 0.59 0.00 0.00 0.00 175.10 176.73 3nsx n ASN 352 N 3.88 -0.01 -4.72 3.32 3.02 0.03 -4.87 115.26 115.90 3nsx n ASN 352 Ca -0.08 -1.15 -0.41 0.00 -0.03 0.00 0.00 54.58 52.91 3nsx n ASN 352 Cb 0.51 -2.31 -0.04 0.00 -0.61 0.00 0.00 39.78 37.34 3nsx n ASN 352 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3nsx s SER 353 N -4.32 7.39 0.47 6.41 0.15 -1.26 -4.93 113.70 117.61 3nsx s SER 353 Ca 0.04 1.68 0.21 0.00 0.70 0.00 0.00 55.95 58.58 3nsx s SER 353 Cb -0.02 -2.56 1.22 0.00 -1.71 0.00 0.00 66.02 62.95 3nsx s SER 353 CO 0.94 -0.16 1.91 -0.65 1.20 0.00 0.00 173.24 176.49 3nsx h PRO 354 N 6.26 0.23 -0.37 5.44 0.11 -1.89 -0.51 132.00 141.27 3nsx h PRO 354 Ca -0.42 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.58 3nsx h PRO 354 Cb 1.21 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3nsx h PRO 354 CO 0.74 0.15 -0.16 0.93 -0.21 0.00 0.00 178.00 179.45 3nsx h GLU 355 N 0.24 0.67 -0.35 1.05 4.39 -1.94 -2.60 114.58 116.05 3nsx h GLU 355 Ca 0.38 -0.23 -0.08 0.00 0.34 0.00 0.00 59.36 59.77 3nsx h GLU 355 Cb 1.14 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 3nsx h GLU 355 CO -0.09 0.80 -0.13 -0.44 -1.16 0.00 0.00 179.01 177.99 3nsx h ASP 356 N 0.60 0.59 0.62 1.42 3.32 -1.50 -2.72 116.42 118.76 3nsx h ASP 356 Ca 0.10 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3nsx h ASP 356 Cb 0.62 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3nsx h ASP 356 CO 0.04 0.75 0.00 -1.22 -1.72 0.00 0.00 179.24 177.09 3nsx n TYR 357 N -4.18 0.37 1.20 4.55 4.01 -0.95 -1.18 117.16 120.98 3nsx n TYR 357 Ca 0.01 0.15 0.13 0.00 -0.16 0.00 0.00 57.90 58.02 3nsx n TYR 357 Cb 0.35 -0.74 0.27 0.00 -0.31 0.00 0.00 39.34 38.91 3nsx n TYR 357 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3nsx n LYS 358 N -1.84 1.79 0.00 -0.72 5.02 -1.03 -1.39 118.16 119.99 3nsx n LYS 358 Ca 0.03 -1.31 0.11 0.00 -2.02 0.00 0.00 58.31 55.11 3nsx n LYS 358 Cb 0.20 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 3nsx n LYS 358 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3nsx n ARG 359 N 0.54 0.09 -4.33 1.97 1.74 -0.33 -4.87 116.66 111.47 3nsx n ARG 359 Ca 0.15 -0.01 -0.17 0.00 -0.77 0.00 0.00 57.85 57.04 3nsx n ARG 359 Cb 0.47 -1.52 -0.10 0.00 -1.02 0.00 0.00 32.46 30.29 3nsx n ARG 359 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3nsx s PHE 360 N -3.06 1.59 0.12 -1.55 -0.12 -1.25 -4.09 117.98 109.62 3nsx s PHE 360 Ca 0.07 -0.73 0.05 0.00 -0.05 0.00 0.00 56.93 56.27 3nsx s PHE 360 Cb 0.16 -0.83 -0.04 0.00 -0.63 0.00 0.00 43.02 41.68 3nsx s PHE 360 CO 0.81 0.18 -0.11 0.71 -0.05 0.00 0.00 175.22 176.76 3nsx s TYR 361 N -3.18 1.23 -0.02 3.49 2.02 0.02 -0.77 117.35 120.14 3nsx s TYR 361 Ca 0.23 -0.66 -0.01 0.00 -0.37 0.00 0.00 57.07 56.26 3nsx s TYR 361 Cb 0.02 -0.65 -0.04 0.00 -0.40 0.00 0.00 41.96 40.90 3nsx s TYR 361 CO 0.06 0.07 0.07 -1.01 -1.57 0.00 0.00 175.55 173.18 3nsx s HIS 362 N -2.65 3.29 -0.37 2.71 3.76 0.49 -3.20 115.29 119.32 3nsx s HIS 362 Ca 0.10 0.22 -0.06 0.00 -0.15 0.00 0.00 55.06 55.18 3nsx s HIS 362 Cb -0.02 -1.76 0.07 0.00 1.11 0.00 0.00 32.58 31.99 3nsx s HIS 362 CO 0.01 0.55 0.16 1.21 -0.85 0.00 0.00 174.74 175.82 3nsx s ASN 363 N -1.57 5.33 -0.44 1.40 2.47 -1.26 -0.41 114.94 120.46 3nsx s ASN 363 Ca 0.21 -1.49 -0.07 0.00 0.42 0.00 0.00 52.86 51.94 3nsx s ASN 363 Cb -0.12 -1.87 0.11 0.00 -1.45 0.00 0.00 41.25 37.92 3nsx s ASN 363 CO 0.12 -0.43 0.28 -0.69 -3.72 0.00 0.00 177.10 172.65 3nsx s VAL 364 N 1.32 3.82 -1.48 -5.21 1.01 0.05 -4.09 120.40 115.82 3nsx s VAL 364 Ca 0.01 -1.88 -0.12 0.00 0.00 0.00 0.00 61.98 60.00 3nsx s VAL 364 Cb -0.21 -3.54 0.06 0.00 0.00 0.00 0.00 36.38 32.69 3nsx s VAL 364 CO 0.00 -0.72 0.93 0.59 0.00 0.00 0.00 175.10 175.90 3nsx n ASN 365 N 4.78 -5.14 0.00 3.32 3.02 -1.26 -1.48 115.26 118.50 3nsx n ASN 365 Ca -0.06 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 3nsx n ASN 365 Cb 0.41 -4.11 0.00 0.00 -0.61 0.00 0.00 39.78 35.48 3nsx n ASN 365 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3nsx n GLY 366 N -1.68 2.25 3.67 7.41 0.00 -1.26 -5.02 105.19 110.55 3nsx n GLY 366 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3nsx n GLY 366 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3nsx s LYS 367 N -0.58 4.27 -0.23 1.61 2.20 -0.55 -5.03 119.74 121.44 3nsx s LYS 367 Ca 0.00 0.94 -0.18 0.00 -0.36 0.00 0.00 55.97 56.37 3nsx s LYS 367 Cb 0.00 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 3nsx s LYS 367 CO 0.00 -0.33 0.52 0.15 -0.36 0.00 0.00 175.35 175.33 3nsx s LYS 368 N 2.17 4.14 -0.15 4.03 1.02 -1.26 -0.77 119.74 128.92 3nsx s LYS 368 Ca 0.36 0.38 0.02 0.00 0.02 0.00 0.00 55.97 56.75 3nsx s LYS 368 Cb -0.16 -3.60 0.01 0.00 -0.52 0.00 0.00 37.83 33.56 3nsx s LYS 368 CO 0.12 -0.23 -0.20 0.42 -0.92 0.00 0.00 175.35 174.53 3nsx s ILE 369 N 1.92 2.00 0.27 2.17 1.01 0.45 -4.95 121.20 124.07 3nsx s ILE 369 Ca 0.23 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.65 3nsx s ILE 369 Cb -0.15 -1.79 -0.11 0.00 0.01 0.00 0.00 42.46 40.42 3nsx s ILE 369 CO 0.09 0.53 1.58 -0.60 0.00 0.00 0.00 174.94 176.54 3nsx s ARG 370 N 1.02 4.15 0.26 2.79 3.52 -1.26 -0.38 118.95 129.06 3nsx s ARG 370 Ca -0.02 2.53 -0.02 0.00 -0.13 0.00 0.00 55.73 58.08 3nsx s ARG 370 Cb -0.14 -3.05 0.45 0.00 -1.56 0.00 0.00 34.95 30.65 3nsx s ARG 370 CO -0.06 -0.60 1.83 1.25 -0.81 0.00 0.00 175.30 176.90 3nsx h HIS 371 N 5.10 1.01 -0.38 5.12 -0.00 -1.04 -1.02 115.15 123.93 3nsx h HIS 371 Ca -0.46 0.03 0.11 0.00 -0.00 0.00 0.00 60.37 60.04 3nsx h HIS 371 Cb 1.22 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 28.29 3nsx h HIS 371 CO 0.59 0.43 0.27 0.38 -0.00 0.00 0.00 177.93 179.61 3nsx h ASP 372 N 0.92 0.02 0.83 3.26 2.03 -1.50 0.42 116.42 122.41 3nsx h ASP 372 Ca 0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.74 3nsx h ASP 372 Cb 0.37 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.87 3nsx h ASP 372 CO -0.24 0.01 0.00 0.11 -1.03 0.00 0.00 179.24 178.09 3nsx h LYS 373 N 0.02 0.00 0.00 4.15 1.57 -1.50 -3.10 116.57 117.72 3nsx h LYS 373 Ca 0.18 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.84 3nsx h LYS 373 Cb 0.69 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 32.75 3nsx h LYS 373 CO -0.01 0.00 -0.84 1.33 -0.57 0.00 0.00 179.45 179.36 3nsx n VAL 374 N -2.56 0.26 -0.34 0.50 0.24 -0.07 -4.01 118.33 112.35 3nsx n VAL 374 Ca 0.01 -1.03 0.05 0.00 -2.04 0.00 0.00 64.34 61.34 3nsx n VAL 374 Cb 0.26 0.74 0.23 0.00 -1.47 0.00 0.00 33.84 33.60 3nsx n VAL 374 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 3nsx h HIS 375 N 0.75 1.12 0.00 6.34 6.17 -0.93 -1.77 115.15 126.84 3nsx h HIS 375 Ca -0.15 0.03 0.00 0.00 0.71 0.00 0.00 60.37 60.96 3nsx h HIS 375 Cb 1.68 -0.36 0.00 0.00 2.52 0.00 0.00 27.41 31.25 3nsx h HIS 375 CO 0.21 0.53 0.00 0.09 0.71 0.00 0.00 177.93 179.47 3nsx n ASN 376 N -4.54 0.00 -0.26 3.26 3.02 -0.68 -2.76 115.26 113.30 3nsx n ASN 376 Ca 0.16 -0.38 0.12 0.00 -0.03 0.00 0.00 54.58 54.45 3nsx n ASN 376 Cb 0.27 -0.14 0.17 0.00 -0.61 0.00 0.00 39.78 39.47 3nsx n ASN 376 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3nsx n LEU 377 N -1.14 1.27 0.23 3.41 4.77 -0.66 -4.35 117.00 120.53 3nsx n LEU 377 Ca 0.14 -0.42 -0.14 0.00 -0.03 0.00 0.00 56.01 55.56 3nsx n LEU 377 Cb 0.12 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 3nsx n LEU 377 CO 0.15 0.25 0.54 0.15 -1.33 0.00 0.00 177.39 177.14 3nsx h PHE 378 N 1.27 -0.54 -0.53 -1.77 3.57 -1.66 -1.04 116.94 116.23 3nsx h PHE 378 Ca 0.00 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 3nsx h PHE 378 Cb 0.59 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 3nsx h PHE 378 CO 0.00 -0.22 0.15 0.78 -2.23 0.00 0.00 178.31 176.79 3nsx h GLY 379 N -0.86 0.90 -0.08 2.40 0.00 -1.68 -0.74 103.07 103.01 3nsx h GLY 379 Ca -0.06 -0.55 0.09 0.00 0.00 0.00 0.00 47.33 46.81 3nsx h GLY 379 CO 0.10 0.51 -0.21 -1.82 0.00 0.00 0.00 176.54 175.12 3nsx h TYR 380 N 0.74 -0.54 0.00 5.60 3.20 -1.70 -1.59 116.97 122.68 3nsx h TYR 380 Ca 0.17 0.05 -0.13 0.00 3.14 0.00 0.00 58.73 61.96 3nsx h TYR 380 Cb 0.31 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 3nsx h TYR 380 CO 0.02 -0.30 -0.61 -0.91 -1.64 0.00 0.00 178.16 174.73 3nsx h ASN 381 N -0.12 0.00 -0.52 -2.11 2.35 -0.70 0.26 115.58 114.75 3nsx h ASN 381 Ca 0.21 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.97 3nsx h ASN 381 Cb 0.45 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 3nsx h ASN 381 CO -0.53 0.61 0.33 -0.03 -1.65 0.00 0.00 177.43 176.16 3nsx h MET 382 N 0.00 0.66 -0.05 0.81 4.05 -0.84 -0.40 114.93 119.16 3nsx h MET 382 Ca -0.01 -0.04 -0.19 0.00 -0.28 0.00 0.00 59.70 59.18 3nsx h MET 382 Cb 1.18 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.82 3nsx h MET 382 CO 0.08 0.43 -0.79 1.15 0.23 0.00 0.00 176.91 178.02 3nsx h THR 383 N 0.68 1.40 -0.86 -0.77 2.02 -1.05 -2.64 112.91 111.68 3nsx h THR 383 Ca 0.20 -2.26 0.02 0.00 0.77 0.00 0.00 66.41 65.14 3nsx h THR 383 Cb -0.05 2.22 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 3nsx h THR 383 CO -0.06 0.67 0.56 -0.09 0.37 0.00 0.00 175.52 176.98 3nsx h ARG 384 N 0.24 1.08 -0.33 6.66 2.43 -0.86 0.17 114.38 123.77 3nsx h ARG 384 Ca -0.04 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3nsx h ARG 384 Cb 1.38 -0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 30.64 3nsx h ARG 384 CO 0.13 0.72 0.05 0.00 -1.51 0.00 0.00 179.97 179.36 3nsx h ALA 385 N 1.34 0.33 0.08 2.80 0.00 -0.73 0.15 119.26 123.23 3nsx h ALA 385 Ca 0.33 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 3nsx h ALA 385 Cb -0.05 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3nsx h ALA 385 CO -0.10 -0.36 -0.04 0.00 0.00 0.00 0.00 179.25 178.75 3nsx h ALA 386 N 1.26 -0.11 -0.71 0.00 0.00 -1.14 -2.23 119.26 116.33 3nsx h ALA 386 Ca 0.16 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3nsx h ALA 386 Cb 0.19 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3nsx h ALA 386 CO -0.22 -0.48 0.44 0.78 0.00 0.00 0.00 179.25 179.77 3nsx h GLY 387 N -0.27 1.02 1.67 0.00 0.00 -0.60 0.07 103.07 104.97 3nsx h GLY 387 Ca -0.01 -0.34 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 3nsx h GLY 387 CO 0.02 0.28 -0.32 0.83 0.00 0.00 0.00 176.54 177.35 3nsx h GLU 388 N 0.87 0.38 -0.56 4.80 5.08 -0.70 -2.38 114.58 122.06 3nsx h GLU 388 Ca 0.29 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 3nsx h GLU 388 Cb 0.02 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3nsx h GLU 388 CO -0.11 0.66 -0.01 0.00 -1.00 0.00 0.00 179.01 178.55 3nsx h ALA 389 N 1.34 0.76 -1.00 3.43 0.00 -0.70 -2.31 119.26 120.79 3nsx h ALA 389 Ca 0.04 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3nsx h ALA 389 Cb 0.73 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3nsx h ALA 389 CO 0.06 0.60 0.65 0.74 0.00 0.00 0.00 179.25 181.29 3nsx h PHE 390 N 0.88 1.22 -0.05 0.00 0.04 -0.69 0.54 116.94 118.89 3nsx h PHE 390 Ca 0.16 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.89 3nsx h PHE 390 Cb 0.55 -0.41 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 3nsx h PHE 390 CO 0.04 0.70 -0.30 0.93 -0.60 0.00 0.00 178.31 179.08 3nsx h GLU 391 N 1.26 0.09 0.03 1.51 4.39 -1.11 -0.23 114.58 120.51 3nsx h GLU 391 Ca 0.40 -0.03 -0.23 0.00 0.34 0.00 0.00 59.36 59.84 3nsx h GLU 391 Cb 0.01 -0.01 0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3nsx h GLU 391 CO -0.13 0.38 -0.93 0.00 -1.16 0.00 0.00 179.01 177.17 3nsx h ARG 392 N 0.08 0.58 -0.05 2.33 3.08 -0.78 -3.13 114.38 116.48 3nsx h ARG 392 Ca 0.01 -0.66 -0.01 0.00 0.07 0.00 0.00 59.98 59.38 3nsx h ARG 392 Cb 0.58 0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 3nsx h ARG 392 CO 0.04 1.27 -0.03 0.82 -1.07 0.00 0.00 179.97 181.00 3nsx h ILE 393 N 0.18 1.33 -1.69 2.04 2.04 -0.69 -3.42 117.51 117.30 3nsx h ILE 393 Ca -0.13 -1.04 -0.33 0.00 1.00 0.00 0.00 64.86 64.36 3nsx h ILE 393 Cb 1.62 1.93 -0.27 0.00 -0.74 0.00 0.00 36.82 39.35 3nsx h ILE 393 CO 0.18 0.28 -0.68 -0.62 0.00 0.00 0.00 178.15 177.32 3nsx s ASP 394 N -5.75 0.24 0.59 1.72 -1.08 -0.12 -5.02 116.67 107.26 3nsx s ASP 394 Ca -0.15 -1.87 0.30 0.00 -0.52 0.00 0.00 52.55 50.31 3nsx s ASP 394 Cb 0.03 0.84 1.80 0.00 -1.46 0.00 0.00 42.92 44.13 3nsx s ASP 394 CO 0.69 -0.17 2.21 -0.65 0.52 0.00 0.00 175.17 177.77 3nsx h PRO 395 N 6.21 0.00 -0.02 4.34 0.11 -1.67 -2.49 132.00 138.47 3nsx h PRO 395 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3nsx h PRO 395 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3nsx h PRO 395 CO 0.18 0.00 -0.17 0.39 -0.21 0.00 0.00 178.00 178.18 3nsx n GLU 396 N -3.80 1.46 -4.59 1.05 -0.58 -1.26 -4.92 120.64 108.00 3nsx n GLU 396 Ca -0.02 -1.03 -0.34 0.00 -0.42 0.00 0.00 57.16 55.36 3nsx n GLU 396 Cb 0.15 -1.48 -0.12 0.00 -0.57 0.00 0.00 31.44 29.43 3nsx n GLU 396 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3nsx s LYS 397 N -2.25 3.03 -0.01 3.49 2.20 -0.94 -2.90 119.74 122.37 3nsx s LYS 397 Ca 0.28 -0.55 -0.22 0.00 -0.36 0.00 0.00 55.97 55.11 3nsx s LYS 397 Cb 0.20 -2.67 -0.05 0.00 -1.51 0.00 0.00 37.83 33.80 3nsx s LYS 397 CO 0.43 0.52 0.67 1.03 -0.36 0.00 0.00 175.35 177.64 3nsx s ARG 398 N -0.41 4.40 0.06 4.03 0.52 -0.73 -4.97 118.95 121.86 3nsx s ARG 398 Ca 0.06 0.86 0.05 0.00 -0.52 0.00 0.00 55.73 56.18 3nsx s ARG 398 Cb -0.12 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 3nsx s ARG 398 CO 0.02 0.26 -0.08 -0.06 0.02 0.00 0.00 175.30 175.46 3nsx s PHE 399 N 0.13 2.81 0.09 -0.53 0.08 -1.26 -4.55 117.98 114.76 3nsx s PHE 399 Ca 0.35 -0.10 -0.31 0.00 0.12 0.00 0.00 56.93 56.99 3nsx s PHE 399 Cb -0.19 -1.51 -0.07 0.00 -0.57 0.00 0.00 43.02 40.69 3nsx s PHE 399 CO 0.19 0.40 1.23 -1.17 -0.10 0.00 0.00 175.22 175.77 3nsx s LEU 400 N -1.88 4.39 -0.21 -0.37 2.96 -0.80 -4.51 118.68 118.26 3nsx s LEU 400 Ca 0.20 2.12 -0.09 0.00 -0.22 0.00 0.00 54.13 56.13 3nsx s LEU 400 Cb -0.11 -3.59 0.08 0.00 0.50 0.00 0.00 46.19 43.08 3nsx s LEU 400 CO 0.12 -0.48 0.47 -0.32 -1.32 0.00 0.00 176.35 174.81 3nsx s MET 401 N 0.82 0.42 0.15 1.98 -2.45 -1.25 -0.72 119.30 118.24 3nsx s MET 401 Ca 0.59 1.02 -0.07 0.00 -1.25 0.00 0.00 55.69 55.98 3nsx s MET 401 Cb -0.31 0.24 -0.02 0.00 1.25 0.00 0.00 34.83 35.99 3nsx s MET 401 CO 0.31 -0.20 0.21 -0.59 1.05 0.00 0.00 175.02 175.80 3nsx s PHE 402 N 2.10 0.48 0.03 4.11 -0.71 -1.13 -0.83 117.98 122.03 3nsx s PHE 402 Ca -0.06 -0.86 0.00 0.00 -1.04 0.00 0.00 56.93 54.97 3nsx s PHE 402 Cb -0.10 -0.16 -0.03 0.00 -1.21 0.00 0.00 43.02 41.52 3nsx s PHE 402 CO -0.14 -0.65 -0.04 0.45 -1.34 0.00 0.00 175.22 173.50 3nsx s SER 403 N -2.97 0.43 -0.11 1.98 0.15 -0.23 -0.81 113.70 112.14 3nsx s SER 403 Ca 0.17 -0.66 -0.05 0.00 0.70 0.00 0.00 55.95 56.11 3nsx s SER 403 Cb 0.05 0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 64.43 3nsx s SER 403 CO -0.01 -0.38 0.13 -0.09 1.20 0.00 0.00 173.24 174.09 3nsx h ARG 404 N 4.15 0.00 -6.62 5.44 2.43 -1.58 -3.11 114.38 115.09 3nsx h ARG 404 Ca -0.33 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.33 3nsx h ARG 404 Cb 1.19 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 3nsx h ARG 404 CO 0.49 0.17 0.04 0.45 -1.51 0.00 0.00 179.97 179.61 3nsx s SER 405 N -5.66 6.78 0.22 -3.80 0.15 -1.26 -4.61 113.70 105.51 3nsx s SER 405 Ca -0.03 1.20 -0.23 0.00 0.70 0.00 0.00 55.95 57.60 3nsx s SER 405 Cb -0.00 -2.34 0.04 0.00 -1.71 0.00 0.00 66.02 62.01 3nsx s SER 405 CO 0.12 -0.13 0.76 -0.94 1.20 0.00 0.00 173.24 174.25 3nsx s SER 406 N -2.18 -0.30 0.02 5.45 1.04 -1.22 -4.06 113.70 112.45 3nsx s SER 406 Ca 0.50 -0.43 -0.12 0.00 0.48 0.00 0.00 55.95 56.38 3nsx s SER 406 Cb -0.11 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.66 3nsx s SER 406 CO 0.19 -1.15 0.26 -0.47 0.98 0.00 0.00 173.24 173.04 3nsx s TYR 407 N -3.71 -0.07 0.30 5.02 5.04 -1.26 -1.30 117.35 121.37 3nsx s TYR 407 Ca 0.09 -0.02 -0.30 0.00 -2.44 0.00 0.00 57.07 54.41 3nsx s TYR 407 Cb -0.04 0.04 -0.12 0.00 0.35 0.00 0.00 41.96 42.20 3nsx s TYR 407 CO 0.02 -0.42 1.60 -0.89 -1.34 0.00 0.00 175.55 174.51 3nsx n ILE 408 N 0.93 1.07 0.00 3.14 5.41 -1.24 -1.35 119.36 127.32 3nsx n ILE 408 Ca -0.20 -0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.28 3nsx n ILE 408 Cb 0.58 -1.98 0.00 0.00 -0.71 0.00 0.00 39.64 37.53 3nsx n ILE 408 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3nsx n GLY 409 N 2.09 3.08 0.29 7.39 0.00 -1.26 -4.38 105.19 112.38 3nsx n GLY 409 Ca 0.08 -1.10 0.18 0.00 0.00 0.00 0.00 46.02 45.18 3nsx n GLY 409 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3nsx h MET 410 N 0.00 0.00 0.00 1.61 -1.53 -1.54 -2.84 114.93 110.63 3nsx h MET 410 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 3nsx h MET 410 Cb 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.05 3nsx h MET 410 CO 0.00 0.00 0.00 1.12 0.14 0.00 0.00 176.91 178.17 3nsx h HIS 411 N 0.00 0.00 0.00 1.39 -0.00 -1.77 0.04 115.15 114.80 3nsx h HIS 411 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3nsx h HIS 411 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.83 3nsx h HIS 411 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 177.93 3nsx h ARG 412 N 0.00 0.00 0.00 5.12 3.08 -1.71 0.22 114.38 121.09 3nsx h ARG 412 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3nsx h ARG 412 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3nsx h ARG 412 CO 0.00 0.00 -1.36 0.66 -1.07 0.00 0.00 179.97 178.20 3nsx n TYR 413 N -2.95 0.00 -3.68 3.04 4.01 -0.02 -3.85 117.16 113.71 3nsx n TYR 413 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3nsx n TYR 413 Cb 0.42 -0.20 -0.01 0.00 -0.31 0.00 0.00 39.34 39.25 3nsx n TYR 413 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3nsx s GLY 414 N -3.07 -0.33 0.00 2.72 0.00 -1.09 -4.71 107.32 100.84 3nsx s GLY 414 Ca -0.03 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.16 3nsx s GLY 414 CO 0.29 0.43 0.00 0.61 0.00 0.00 0.00 173.10 174.43 3nsx n GLY 415 N -0.51 0.83 3.07 0.20 0.00 -0.01 -4.43 105.19 104.33 3nsx n GLY 415 Ca -0.07 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 43.92 3nsx n GLY 415 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3nsx s ILE 416 N 0.46 0.26 0.05 -0.61 -4.36 -0.97 -1.06 121.20 114.95 3nsx s ILE 416 Ca 0.00 -1.60 0.06 0.00 -0.26 0.00 0.00 60.65 58.85 3nsx s ILE 416 Cb 0.00 -1.22 -0.02 0.00 1.25 0.00 0.00 42.46 42.46 3nsx s ILE 416 CO 0.00 -0.85 -0.17 -1.66 0.24 0.00 0.00 174.94 172.50 3nsx s TRP 417 N -3.25 1.49 -0.58 1.37 -2.14 -1.17 -3.31 118.94 111.34 3nsx s TRP 417 Ca 0.02 -0.37 -0.20 0.00 2.66 0.00 0.00 56.10 58.21 3nsx s TRP 417 Cb 0.03 -0.87 0.09 0.00 -3.10 0.00 0.00 33.47 29.61 3nsx s TRP 417 CO -0.07 0.07 0.73 1.41 -2.66 0.00 0.00 176.95 176.44 3nsx s MET 418 N -1.26 3.08 0.90 3.25 -2.45 -0.23 -4.76 119.30 117.83 3nsx s MET 418 Ca 0.04 -1.11 -0.14 0.00 -1.25 0.00 0.00 55.69 53.23 3nsx s MET 418 Cb -0.09 -4.22 0.14 0.00 1.25 0.00 0.00 34.83 31.92 3nsx s MET 418 CO 0.02 -1.51 1.21 0.20 1.05 0.00 0.00 175.02 175.99 3nsx s GLY 419 N 3.40 1.65 0.10 2.11 0.00 -1.26 -1.51 107.32 111.81 3nsx s GLY 419 Ca 0.15 -0.82 -0.24 0.00 0.00 0.00 0.00 44.72 43.81 3nsx s GLY 419 CO 0.09 -0.20 0.59 0.00 0.00 0.00 0.00 173.10 173.57 3nsx s ALA 420 N -3.59 -1.54 -0.72 3.20 0.00 -1.26 -4.83 121.76 113.02 3nsx s ALA 420 Ca 0.67 0.61 0.07 0.00 0.00 0.00 0.00 51.96 53.31 3nsx s ALA 420 Cb -0.09 0.65 0.17 0.00 0.00 0.00 0.00 23.12 23.84 3nsx s ALA 420 CO 0.51 -0.65 1.05 0.09 0.00 0.00 0.00 175.76 176.77 3nsx n ASN 421 N -0.03 2.35 -4.14 0.00 3.02 -1.26 -3.89 115.26 111.32 3nsx n ASN 421 Ca -0.17 -1.81 -0.09 0.00 -0.03 0.00 0.00 54.58 52.48 3nsx n ASN 421 Cb 0.63 -0.11 -0.10 0.00 -0.61 0.00 0.00 39.78 39.58 3nsx n ASN 421 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3nsx s LYS 422 N -0.90 0.80 -0.58 3.52 -0.14 -1.17 -4.03 119.74 117.24 3nsx s LYS 422 Ca 0.14 -1.34 0.00 0.00 -1.36 0.00 0.00 55.97 53.41 3nsx s LYS 422 Cb 0.08 0.12 0.15 0.00 -1.68 0.00 0.00 37.83 36.49 3nsx s LYS 422 CO 0.10 -0.15 0.36 -1.12 -0.76 0.00 0.00 175.35 173.78 3nsx s SER 423 N -3.01 4.81 -0.04 2.83 0.01 -1.26 -1.32 113.70 115.72 3nsx s SER 423 Ca 0.15 -2.95 0.06 0.00 1.31 0.00 0.00 55.95 54.53 3nsx s SER 423 Cb 0.07 -1.76 -0.02 0.00 0.21 0.00 0.00 66.02 64.53 3nsx s SER 423 CO -0.04 -0.30 -0.22 0.26 0.41 0.00 0.00 173.24 173.35 3nsx s TRP 424 N -0.20 2.48 0.37 2.43 0.51 -1.26 -4.85 118.94 118.43 3nsx s TRP 424 Ca 0.17 -0.41 0.07 0.00 -2.12 0.00 0.00 56.10 53.81 3nsx s TRP 424 Cb -0.23 -1.57 0.79 0.00 -0.81 0.00 0.00 33.47 31.65 3nsx s TRP 424 CO -0.02 -0.01 1.96 -1.49 -0.51 0.00 0.00 176.95 176.88 3nsx h TRP 425 N 5.59 0.72 0.00 -1.98 4.06 -1.98 -2.20 115.95 120.17 3nsx h TRP 425 Ca -0.41 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.54 3nsx h TRP 425 Cb 1.14 -0.24 -0.00 0.00 -1.00 0.00 0.00 29.16 29.07 3nsx h TRP 425 CO 0.43 0.37 -0.05 0.66 -3.56 0.00 0.00 178.44 176.29 3nsx h SER 426 N 0.70 0.00 1.56 -3.49 4.64 -1.95 -1.65 113.55 113.37 3nsx h SER 426 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3nsx h SER 426 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3nsx h SER 426 CO -0.11 0.05 0.00 0.45 -0.87 0.00 0.00 176.83 176.36 3nsx h HIS 427 N 0.00 0.00 0.03 4.77 3.86 -1.80 -1.97 115.15 120.04 3nsx h HIS 427 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3nsx h HIS 427 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 3nsx h HIS 427 CO 0.00 0.00 -0.01 0.82 0.86 0.00 0.00 177.93 179.60 3nsx h ILE 428 N 0.00 1.04 -0.44 2.45 2.04 -1.40 -1.57 117.51 119.63 3nsx h ILE 428 Ca 0.00 -0.22 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 3nsx h ILE 428 Cb 0.78 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 3nsx h ILE 428 CO 0.00 0.06 -0.04 0.25 0.00 0.00 0.00 178.15 178.42 3nsx h LEU 429 N -0.13 0.79 -0.37 1.44 5.85 -1.63 -1.11 115.31 120.15 3nsx h LEU 429 Ca -0.00 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.44 3nsx h LEU 429 Cb 0.12 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3nsx h LEU 429 CO 0.01 0.93 0.06 0.25 -0.34 0.00 0.00 178.44 179.35 3nsx h LEU 430 N 0.64 -0.01 -0.68 2.25 5.85 -1.36 -0.97 115.31 121.02 3nsx h LEU 430 Ca 0.12 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 3nsx h LEU 430 Cb 0.55 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3nsx h LEU 430 CO 0.03 0.03 -0.13 0.78 -0.34 0.00 0.00 178.44 178.81 3nsx h ASN 431 N 0.18 0.89 -0.28 1.25 2.35 -1.05 -2.05 115.58 116.87 3nsx h ASN 431 Ca 0.18 -0.29 0.05 0.00 -0.55 0.00 0.00 56.30 55.69 3nsx h ASN 431 Cb 0.21 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 3nsx h ASN 431 CO -0.24 1.02 0.01 0.25 -1.65 0.00 0.00 177.43 176.82 3nsx h LEU 432 N 0.79 -0.08 -1.29 1.61 5.85 -0.80 -2.73 115.31 118.66 3nsx h LEU 432 Ca 0.13 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 3nsx h LEU 432 Cb 0.65 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 3nsx h LEU 432 CO 0.05 -0.01 -0.27 0.11 -0.34 0.00 0.00 178.44 177.98 3nsx h LYS 433 N 0.10 0.13 0.00 1.25 1.57 -0.90 -2.81 116.57 115.92 3nsx h LYS 433 Ca 0.13 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 3nsx h LYS 433 Cb 0.16 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3nsx h LYS 433 CO -0.21 0.40 -0.45 0.52 -0.57 0.00 0.00 179.45 179.14 3nsx h MET 434 N 0.12 0.00 -0.23 3.15 2.86 -1.07 -3.35 114.93 116.40 3nsx h MET 434 Ca 0.02 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 3nsx h MET 434 Cb 0.55 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.15 3nsx h MET 434 CO 0.04 0.45 -0.20 -0.07 1.06 0.00 0.00 176.91 178.19 3nsx h LEU 435 N 0.00 -0.64 -1.00 1.22 3.38 -1.34 -0.22 115.31 116.71 3nsx h LEU 435 Ca -0.00 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3nsx h LEU 435 Cb 0.81 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 3nsx h LEU 435 CO 0.06 -0.24 0.08 1.55 0.09 0.00 0.00 178.44 179.98 3nsx h PRO 436 N -0.20 0.80 -0.69 1.13 0.13 -1.77 -1.61 132.00 129.79 3nsx h PRO 436 Ca 0.13 -0.18 -0.06 0.00 -0.87 0.00 0.00 66.00 65.03 3nsx h PRO 436 Cb 0.40 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.39 3nsx h PRO 436 CO -0.35 0.75 0.21 0.77 -0.23 0.00 0.00 178.00 179.15 3nsx h SER 437 N 0.77 0.99 -0.49 1.44 0.02 -1.57 -0.97 113.55 113.74 3nsx h SER 437 Ca 0.16 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3nsx h SER 437 Cb 0.34 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3nsx h SER 437 CO 0.01 0.93 0.24 -0.07 -1.14 0.00 0.00 176.83 176.80 3nsx h LEU 438 N 1.02 0.63 -1.37 5.07 3.38 -0.69 -2.80 115.31 120.55 3nsx h LEU 438 Ca 0.22 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3nsx h LEU 438 Cb 0.29 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3nsx h LEU 438 CO -0.01 0.57 0.43 0.78 0.09 0.00 0.00 178.44 180.30 3nsx h ASN 439 N 0.64 0.73 0.04 -0.43 2.35 -0.63 -0.70 115.58 117.58 3nsx h ASN 439 Ca 0.17 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 3nsx h ASN 439 Cb 0.10 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 3nsx h ASN 439 CO -0.02 0.52 -0.05 0.24 -1.65 0.00 0.00 177.43 176.47 3nsx h MET 440 N 0.86 0.03 -0.53 0.81 2.86 -0.94 -2.50 114.93 115.51 3nsx h MET 440 Ca 0.24 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3nsx h MET 440 Cb -0.06 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.60 3nsx h MET 440 CO -0.06 0.08 0.00 0.00 1.06 0.00 0.00 176.91 177.99 3nsx n GLY 442 N 1.58 0.17 3.39 0.00 0.00 -0.94 -4.80 105.19 104.59 3nsx n GLY 442 Ca 0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 3nsx n GLY 442 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3nsx s PHE 443 N -2.00 2.96 -0.14 1.61 0.08 -0.37 -4.70 117.98 115.40 3nsx s PHE 443 Ca 0.00 -0.92 0.12 0.00 0.12 0.00 0.00 56.93 56.25 3nsx s PHE 443 Cb 0.00 -4.06 -0.17 0.00 -0.57 0.00 0.00 43.02 38.21 3nsx s PHE 443 CO 0.00 -1.35 0.04 -1.33 -0.10 0.00 0.00 175.22 172.47 3nsx n MET 444 N 6.53 1.58 -2.73 0.44 2.81 -1.26 -3.18 117.12 121.30 3nsx n MET 444 Ca -0.08 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.39 3nsx n MET 444 Cb 0.43 -1.37 -0.03 0.00 -0.71 0.00 0.00 33.22 31.54 3nsx n MET 444 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 3nsx s TYR 445 N -2.35 2.80 0.12 2.03 5.04 -1.26 -4.62 117.35 119.11 3nsx s TYR 445 Ca -0.08 -1.09 -0.02 0.00 -2.44 0.00 0.00 57.07 53.43 3nsx s TYR 445 Cb 0.04 -4.50 -0.04 0.00 0.35 0.00 0.00 41.96 37.81 3nsx s TYR 445 CO 0.58 -1.73 0.07 0.95 -1.34 0.00 0.00 175.55 174.07 3nsx s THR 446 N 3.91 0.12 0.11 4.34 -4.23 -1.26 -2.30 115.64 116.33 3nsx s THR 446 Ca 0.40 -1.82 -0.22 0.00 -1.18 0.00 0.00 61.69 58.87 3nsx s THR 446 Cb -0.02 -1.91 0.07 0.00 1.34 0.00 0.00 72.50 71.98 3nsx s THR 446 CO -0.10 -0.55 1.01 0.61 -0.54 0.00 0.00 174.62 175.06 3nsx n GLY 447 N -0.07 0.53 3.27 3.99 0.00 -1.21 -1.65 105.19 110.05 3nsx n GLY 447 Ca -0.07 -1.10 -0.15 0.00 0.00 0.00 0.00 46.02 44.70 3nsx n GLY 447 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nsx s ALA 448 N -1.94 1.50 0.24 4.61 0.00 -1.26 -1.06 121.76 123.85 3nsx s ALA 448 Ca 0.23 -1.66 0.11 0.00 0.00 0.00 0.00 51.96 50.63 3nsx s ALA 448 Cb -0.02 0.59 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 3nsx s ALA 448 CO 0.03 -0.32 -0.16 -0.51 0.00 0.00 0.00 175.76 174.80 3nsx s ASP 449 N -3.22 3.83 0.09 0.00 1.01 -0.57 -4.69 116.67 113.12 3nsx s ASP 449 Ca 0.27 -0.84 -0.05 0.00 0.71 0.00 0.00 52.55 52.63 3nsx s ASP 449 Cb 0.06 -0.45 -0.05 0.00 1.01 0.00 0.00 42.92 43.49 3nsx s ASP 449 CO 0.06 0.07 0.33 -0.76 0.21 0.00 0.00 175.17 175.08 3nsx s LEU 450 N -3.20 4.31 0.00 1.23 1.43 -1.26 -4.39 118.68 116.80 3nsx s LEU 450 Ca 0.27 0.55 0.07 0.00 -1.03 0.00 0.00 54.13 53.99 3nsx s LEU 450 Cb -0.07 -3.07 0.11 0.00 0.03 0.00 0.00 46.19 43.19 3nsx s LEU 450 CO 0.14 0.13 1.02 0.61 0.23 0.00 0.00 176.35 178.49 3nsx n GLY 451 N 0.44 0.65 3.72 -3.19 0.00 -0.44 -4.67 105.19 101.70 3nsx n GLY 451 Ca -0.05 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 3nsx n GLY 451 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3nsx s GLY 452 N -1.22 1.66 0.47 -0.02 0.00 -1.11 -3.05 107.32 104.05 3nsx s GLY 452 Ca 0.09 0.28 0.08 0.00 0.00 0.00 0.00 44.72 45.16 3nsx s GLY 452 CO -0.04 0.69 0.49 -0.11 0.00 0.00 0.00 173.10 174.13 3nsx s PHE 453 N -2.81 2.26 0.00 1.90 -0.12 -1.26 -4.63 117.98 113.31 3nsx s PHE 453 Ca 0.64 -0.59 0.00 0.00 -0.05 0.00 0.00 56.93 56.92 3nsx s PHE 453 Cb -0.19 -2.16 0.00 0.00 -0.63 0.00 0.00 43.02 40.04 3nsx s PHE 453 CO 0.57 -0.43 0.00 0.41 -0.05 0.00 0.00 175.22 175.72 3nsx n GLY 454 N -1.77 3.32 1.19 1.99 0.00 0.44 -2.02 105.19 108.35 3nsx n GLY 454 Ca 0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 3nsx n GLY 454 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3nsx n ASP 455 N 4.03 2.68 0.16 1.61 8.00 -1.26 -1.72 116.55 130.05 3nsx n ASP 455 Ca 0.00 -3.69 0.13 0.00 0.71 0.00 0.00 54.79 51.94 3nsx n ASP 455 Cb 0.00 -0.64 0.50 0.00 -0.02 0.00 0.00 41.12 40.96 3nsx n ASP 455 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3nsx h ASP 456 N 1.08 0.00 -2.16 -2.24 3.32 -1.73 -3.37 116.42 111.32 3nsx h ASP 456 Ca 0.22 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.68 3nsx h ASP 456 Cb 1.71 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 41.14 3nsx h ASP 456 CO 0.41 0.00 0.99 -0.89 -1.72 0.00 0.00 179.24 178.03 3nsx s THR 457 N -3.35 4.06 0.66 0.35 2.01 -1.26 -4.85 115.64 113.27 3nsx s THR 457 Ca 0.05 -0.33 -0.13 0.00 0.31 0.00 0.00 61.69 61.58 3nsx s THR 457 Cb 0.09 -4.87 -0.00 0.00 0.01 0.00 0.00 72.50 67.73 3nsx s THR 457 CO 0.48 -1.72 1.07 0.42 -0.69 0.00 0.00 174.62 174.18 3nsx s THR 458 N 4.71 3.71 0.23 -0.82 -4.23 -1.26 -4.86 115.64 113.12 3nsx s THR 458 Ca 0.34 0.69 -0.06 0.00 -1.18 0.00 0.00 61.69 61.47 3nsx s THR 458 Cb -0.08 -3.27 0.19 0.00 1.34 0.00 0.00 72.50 70.68 3nsx s THR 458 CO 0.05 -0.60 1.75 -0.09 -0.54 0.00 0.00 174.62 175.18 3nsx h ARG 459 N -0.22 0.46 -0.21 3.99 2.43 -1.95 -1.55 114.38 117.33 3nsx h ARG 459 Ca -0.45 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 58.53 3nsx h ARG 459 Cb 1.22 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 3nsx h ARG 459 CO 0.56 0.31 -0.50 0.38 -1.51 0.00 0.00 179.97 179.20 3nsx h ASP 460 N 0.48 0.64 -0.43 -3.80 2.03 -1.99 -1.66 116.42 111.68 3nsx h ASP 460 Ca 0.37 -0.32 -0.02 0.00 -0.73 0.00 0.00 57.03 56.33 3nsx h ASP 460 Cb 0.50 -0.18 -0.02 0.00 -0.83 0.00 0.00 39.33 38.79 3nsx h ASP 460 CO -0.34 1.03 0.20 0.25 -1.03 0.00 0.00 179.24 179.34 3nsx h LEU 461 N 0.46 0.58 -0.44 0.15 5.85 -1.81 -1.37 115.31 118.73 3nsx h LEU 461 Ca 0.02 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.62 3nsx h LEU 461 Cb 1.04 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 3nsx h LEU 461 CO 0.10 0.56 0.25 0.25 -0.34 0.00 0.00 178.44 179.26 3nsx h LEU 462 N 0.56 0.41 -0.60 2.25 5.85 -1.08 0.29 115.31 122.99 3nsx h LEU 462 Ca 0.15 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3nsx h LEU 462 Cb 0.15 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3nsx h LEU 462 CO -0.02 0.29 0.34 -0.07 -0.34 0.00 0.00 178.44 178.65 3nsx h LEU 463 N 0.51 0.73 -0.69 2.25 3.38 -1.07 0.24 115.31 120.66 3nsx h LEU 463 Ca 0.18 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 3nsx h LEU 463 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3nsx h LEU 463 CO -0.09 0.60 -0.38 0.03 0.09 0.00 0.00 178.44 178.69 3nsx h ARG 464 N 0.81 0.57 -0.35 1.13 2.47 -0.99 -1.50 114.38 116.52 3nsx h ARG 464 Ca 0.21 -0.28 -0.02 0.00 -1.26 0.00 0.00 59.98 58.63 3nsx h ARG 464 Cb 0.01 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 3nsx h ARG 464 CO -0.04 0.86 0.13 0.35 0.56 0.00 0.00 179.97 181.84 3nsx h PHE 465 N 0.47 0.53 -0.15 3.04 3.04 -0.54 -2.45 116.94 120.88 3nsx h PHE 465 Ca 0.04 -0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 3nsx h PHE 465 Cb 0.88 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.22 3nsx h PHE 465 CO 0.04 0.50 -0.09 -0.07 -2.02 0.00 0.00 178.31 176.66 3nsx h LEU 466 N 0.41 0.21 -1.34 0.59 3.38 -0.84 -1.82 115.31 115.91 3nsx h LEU 466 Ca 0.12 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3nsx h LEU 466 Cb 0.20 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3nsx h LEU 466 CO -0.01 0.33 -0.22 0.00 0.09 0.00 0.00 178.44 178.63 3nsx h ALA 467 N 1.70 1.10 -0.06 1.53 0.00 -0.81 0.25 119.26 122.97 3nsx h ALA 467 Ca 0.05 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3nsx h ALA 467 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3nsx h ALA 467 CO 0.02 0.28 -0.34 1.25 0.00 0.00 0.00 179.25 180.45 3nsx h LEU 468 N 0.00 0.41 -2.01 0.00 5.85 -1.19 -3.32 115.31 115.05 3nsx h LEU 468 Ca -0.00 -0.66 0.12 0.00 0.84 0.00 0.00 57.88 58.18 3nsx h LEU 468 Cb 0.64 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3nsx h LEU 468 CO 0.03 1.01 0.29 1.23 -0.34 0.00 0.00 178.44 180.66 3nsx h GLY 469 N -0.15 0.00 -0.51 3.75 0.00 -0.47 -0.90 103.07 104.79 3nsx h GLY 469 Ca -0.02 0.00 0.34 0.00 0.00 0.00 0.00 47.33 47.64 3nsx h GLY 469 CO 0.07 0.00 0.76 -2.08 0.00 0.00 0.00 176.54 175.29 3nsx h VAL 470 N 0.00 0.37 0.00 4.60 2.07 -1.08 -2.05 116.25 120.16 3nsx h VAL 470 Ca 0.19 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3nsx h VAL 470 Cb 0.78 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3nsx h VAL 470 CO -0.00 0.04 -1.51 0.49 0.02 0.00 0.00 177.57 176.61 3nsx n PHE 471 N -4.59 0.05 -3.05 1.57 3.72 -0.35 -4.82 117.46 109.99 3nsx n PHE 471 Ca 0.30 0.01 -0.40 0.00 -0.05 0.00 0.00 57.45 57.31 3nsx n PHE 471 Cb 1.12 -0.32 -0.05 0.00 -0.94 0.00 0.00 39.48 39.29 3nsx n PHE 471 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3nsx s THR 472 N -3.29 4.95 0.29 4.37 -4.23 -0.77 -4.96 115.64 112.00 3nsx s THR 472 Ca -0.01 1.46 0.03 0.00 -1.18 0.00 0.00 61.69 61.99 3nsx s THR 472 Cb 0.15 -4.04 0.29 0.00 1.34 0.00 0.00 72.50 70.23 3nsx s THR 472 CO 0.88 0.30 1.82 -0.65 -0.54 0.00 0.00 174.62 176.43 3nsx h PRO 473 N 6.33 0.90 -5.85 3.99 0.11 -1.81 -3.26 132.00 132.41 3nsx h PRO 473 Ca -0.42 -0.05 -0.61 0.00 0.11 0.00 0.00 66.00 65.02 3nsx h PRO 473 Cb 1.20 -0.20 -0.11 0.00 0.11 0.00 0.00 31.00 31.99 3nsx h PRO 473 CO 0.73 0.59 0.41 -1.17 -0.21 0.00 0.00 178.00 178.36 3nsx s LEU 474 N -10.25 4.14 -0.26 2.35 2.96 -0.66 -4.56 118.68 112.40 3nsx s LEU 474 Ca -0.12 0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 3nsx s LEU 474 Cb 0.23 -3.04 0.07 0.00 0.50 0.00 0.00 46.19 43.95 3nsx s LEU 474 CO 0.81 -0.83 -0.05 -0.32 -1.32 0.00 0.00 176.35 174.63 3nsx s MET 475 N 3.26 1.79 0.07 1.98 -2.45 -1.23 -4.16 119.30 118.56 3nsx s MET 475 Ca 0.32 -1.25 -0.05 0.00 -1.25 0.00 0.00 55.69 53.46 3nsx s MET 475 Cb -0.12 -2.76 -0.02 0.00 1.25 0.00 0.00 34.83 33.18 3nsx s MET 475 CO 0.20 -0.65 0.08 -0.98 1.05 0.00 0.00 175.02 174.72 3nsx s ARG 476 N 1.23 0.74 -0.55 4.11 1.70 -1.26 -1.91 118.95 123.01 3nsx s ARG 476 Ca -0.04 -1.10 0.01 0.00 -0.47 0.00 0.00 55.73 54.12 3nsx s ARG 476 Cb -0.19 0.28 0.14 0.00 -0.57 0.00 0.00 34.95 34.61 3nsx s ARG 476 CO -0.07 -0.20 0.33 0.34 -1.08 0.00 0.00 175.30 174.62 3nsx s ASP 477 N -2.90 4.80 -0.25 -2.89 2.15 -0.08 -4.88 116.67 112.63 3nsx s ASP 477 Ca 0.07 -2.85 -0.02 0.00 0.43 0.00 0.00 52.55 50.18 3nsx s ASP 477 Cb 0.06 -1.74 0.02 0.00 -0.30 0.00 0.00 42.92 40.96 3nsx s ASP 477 CO -0.10 -0.32 -0.05 -2.28 -0.17 0.00 0.00 175.17 172.26 3nsx s HIS 478 N -0.06 3.07 0.09 -5.34 2.46 -1.26 -1.22 115.29 113.04 3nsx s HIS 478 Ca 0.16 -1.49 0.04 0.00 0.47 0.00 0.00 55.06 54.24 3nsx s HIS 478 Cb -0.23 -2.08 -0.04 0.00 -0.13 0.00 0.00 32.58 30.11 3nsx s HIS 478 CO -0.02 -0.71 0.04 0.00 -2.47 0.00 0.00 174.74 171.58 3nsx s ALA 479 N 1.34 3.43 1.09 1.58 0.00 -0.76 -4.59 121.76 123.85 3nsx s ALA 479 Ca 0.00 -1.07 -0.18 0.00 0.00 0.00 0.00 51.96 50.71 3nsx s ALA 479 Cb -0.17 -1.31 0.24 0.00 0.00 0.00 0.00 23.12 21.89 3nsx s ALA 479 CO -0.04 0.72 1.21 0.00 0.00 0.00 0.00 175.76 177.65 3nsx s ALA 480 N -1.36 1.37 0.01 0.00 0.00 -1.26 -0.96 121.76 119.55 3nsx s ALA 480 Ca 0.28 -1.06 -0.25 0.00 0.00 0.00 0.00 51.96 50.93 3nsx s ALA 480 Cb -0.12 -2.84 -0.14 0.00 0.00 0.00 0.00 23.12 20.03 3nsx s ALA 480 CO 0.20 -3.05 1.04 1.49 0.00 0.00 0.00 175.76 175.44 3nsx h GLU 481 N -2.14 -0.86 -3.24 0.00 4.81 -1.93 -3.28 114.58 107.94 3nsx h GLU 481 Ca -0.45 0.06 -0.53 0.00 -0.13 0.00 0.00 59.36 58.31 3nsx h GLU 481 Cb 1.27 0.20 0.02 0.00 0.63 0.00 0.00 28.75 30.87 3nsx h GLU 481 CO 0.36 -0.57 3.24 0.41 -0.73 0.00 0.00 179.01 181.73 3nsx n GLY 482 N -0.49 3.69 3.05 1.92 0.00 -1.26 -4.82 105.19 107.28 3nsx n GLY 482 Ca -0.11 -1.19 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 3nsx n GLY 482 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3nsx s THR 483 N 2.81 0.07 1.12 2.61 -4.23 -1.24 0.17 115.64 116.95 3nsx s THR 483 Ca 0.55 -0.60 -0.18 0.00 -1.18 0.00 0.00 61.69 60.28 3nsx s THR 483 Cb 0.14 -0.33 0.13 0.00 1.34 0.00 0.00 72.50 73.78 3nsx s THR 483 CO -0.05 -0.33 0.14 -2.11 -0.54 0.00 0.00 174.62 171.74 3nsx n ARG 484 N 1.83 -1.67 -2.84 3.99 1.85 -0.70 -4.91 116.66 114.21 3nsx n ARG 484 Ca -0.21 -0.47 -0.42 0.00 -1.00 0.00 0.00 57.85 55.76 3nsx n ARG 484 Cb 0.56 -1.76 -0.04 0.00 -1.05 0.00 0.00 32.46 30.17 3nsx n ARG 484 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3nsx s GLU 485 N -3.57 4.24 -0.24 2.89 2.02 -1.26 -4.94 118.70 117.84 3nsx s GLU 485 Ca 0.58 1.06 0.11 0.00 0.02 0.00 0.00 54.97 56.74 3nsx s GLU 485 Cb -0.14 -3.62 0.46 0.00 0.10 0.00 0.00 34.13 30.93 3nsx s GLU 485 CO 0.66 -0.48 1.35 1.04 0.02 0.00 0.00 175.26 177.86 3nsx n GLN 486 N 5.80 1.81 -1.92 1.61 6.02 -1.26 -4.90 117.38 124.55 3nsx n GLN 486 Ca 0.07 -3.12 -0.38 0.00 -0.01 0.00 0.00 57.00 53.55 3nsx n GLN 486 Cb 0.48 -1.73 0.02 0.00 1.02 0.00 0.00 30.24 30.03 3nsx n GLN 486 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3nsx s GLU 487 N -3.16 3.39 0.60 -1.09 8.01 -1.26 -4.88 118.70 120.31 3nsx s GLU 487 Ca 0.41 2.13 0.29 0.00 0.01 0.00 0.00 54.97 57.82 3nsx s GLU 487 Cb 0.37 -2.36 1.61 0.00 -4.31 0.00 0.00 34.13 29.45 3nsx s GLU 487 CO -0.01 -0.96 2.01 0.00 0.01 0.00 0.00 175.26 176.31 3nsx n TYR 489 N -3.60 0.58 0.74 0.00 4.11 -1.26 -3.98 117.16 113.75 3nsx n TYR 489 Ca 0.03 -0.27 0.08 0.00 -0.00 0.00 0.00 57.90 57.74 3nsx n TYR 489 Cb 0.45 -0.03 -0.05 0.00 -0.00 0.00 0.00 39.34 39.71 3nsx n TYR 489 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 3nsx n GLN 490 N 0.62 1.72 -3.53 -3.48 1.13 0.63 -5.00 117.38 109.46 3nsx n GLN 490 Ca 0.13 -0.39 -0.21 0.00 -1.94 0.00 0.00 57.00 54.58 3nsx n GLN 490 Cb 0.37 -1.27 -0.01 0.00 0.11 0.00 0.00 30.24 29.44 3nsx n GLN 490 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3nsx s PHE 491 N -2.23 3.34 0.00 1.08 0.08 -1.26 -5.01 117.98 113.98 3nsx s PHE 491 Ca 0.10 0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.21 3nsx s PHE 491 Cb 0.13 -1.88 0.00 0.00 -0.57 0.00 0.00 43.02 40.69 3nsx s PHE 491 CO 0.54 0.11 0.78 -0.85 -0.10 0.00 0.00 175.22 175.70 3nsx n GLU 492 N -1.67 0.00 -3.00 0.44 0.28 -1.26 -3.54 120.64 111.88 3nsx n GLU 492 Ca -0.04 0.59 -0.44 0.00 -0.16 0.00 0.00 57.16 57.11 3nsx n GLU 492 Cb 0.57 -1.28 0.00 0.00 1.43 0.00 0.00 31.44 32.17 3nsx n GLU 492 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3nsx n ASN 493 N -1.82 5.52 0.19 -1.84 4.13 -1.26 -4.86 115.26 115.31 3nsx n ASN 493 Ca 0.00 -3.09 0.13 0.00 1.68 0.00 0.00 54.58 53.30 3nsx n ASN 493 Cb 0.00 -1.44 0.66 0.00 -1.54 0.00 0.00 39.78 37.46 3nsx n ASN 493 CO 0.00 0.00 0.00 0.16 0.28 0.00 0.00 177.26 177.70 3nsx h ILE 494 N 3.95 0.00 -0.26 2.41 3.07 -1.84 -1.02 117.51 123.81 3nsx h ILE 494 Ca 0.26 -0.07 0.03 0.00 1.55 0.00 0.00 64.86 66.63 3nsx h ILE 494 Cb 0.79 0.70 -0.01 0.00 -0.27 0.00 0.00 36.82 38.02 3nsx h ILE 494 CO 1.24 0.00 0.18 1.05 -1.05 0.00 0.00 178.15 179.57 3nsx h GLU 495 N 0.00 0.22 -0.38 0.16 9.09 -1.91 -1.08 114.58 120.69 3nsx h GLU 495 Ca 0.00 -0.01 -0.04 0.00 0.05 0.00 0.00 59.36 59.36 3nsx h GLU 495 Cb 0.10 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 27.13 3nsx h GLU 495 CO 0.00 0.15 0.10 -0.44 0.05 0.00 0.00 179.01 178.86 3nsx h ASP 496 N 0.23 0.58 -0.31 3.06 3.32 -1.59 0.16 116.42 121.86 3nsx h ASP 496 Ca 0.11 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 3nsx h ASP 496 Cb 0.16 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3nsx h ASP 496 CO -0.02 0.65 0.09 -0.26 -1.72 0.00 0.00 179.24 177.99 3nsx h PHE 497 N 0.47 0.51 -0.88 4.55 0.04 -1.64 -2.43 116.94 117.55 3nsx h PHE 497 Ca 0.12 -0.05 0.08 0.00 2.80 0.00 0.00 57.97 60.92 3nsx h PHE 497 Cb 0.30 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.24 3nsx h PHE 497 CO 0.02 0.52 0.57 -0.09 -0.60 0.00 0.00 178.31 178.73 3nsx h ARG 498 N 0.34 0.89 -0.44 1.51 2.43 -1.00 -1.79 114.38 116.32 3nsx h ARG 498 Ca 0.10 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3nsx h ARG 498 Cb 0.26 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3nsx h ARG 498 CO -0.00 0.59 0.21 0.77 -1.51 0.00 0.00 179.97 180.03 3nsx h SER 499 N 0.92 0.59 -0.32 -3.80 0.02 -0.39 0.15 113.55 110.72 3nsx h SER 499 Ca 0.40 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 61.15 3nsx h SER 499 Cb 0.33 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3nsx h SER 499 CO -0.16 0.56 -0.04 0.58 -1.14 0.00 0.00 176.83 176.63 3nsx h VAL 500 N 0.57 1.27 -0.21 2.27 2.07 -0.99 -2.25 116.25 118.99 3nsx h VAL 500 Ca 0.15 -1.05 -0.11 0.00 0.82 0.00 0.00 66.70 66.51 3nsx h VAL 500 Cb 0.14 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3nsx h VAL 500 CO -0.02 0.34 -0.32 0.40 0.02 0.00 0.00 177.57 177.99 3nsx h ILE 501 N 0.38 1.28 -0.84 4.57 2.04 -1.22 -2.29 117.51 121.43 3nsx h ILE 501 Ca 0.09 -1.39 0.05 0.00 1.00 0.00 0.00 64.86 64.60 3nsx h ILE 501 Cb 0.52 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 3nsx h ILE 501 CO 0.02 0.43 0.53 0.78 0.00 0.00 0.00 178.15 179.92 3nsx h ASN 502 N 0.37 0.87 -0.76 1.72 2.35 -0.54 -1.93 115.58 117.66 3nsx h ASN 502 Ca 0.05 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.84 3nsx h ASN 502 Cb 0.75 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.89 3nsx h ASN 502 CO 0.06 0.58 0.47 0.00 -1.65 0.00 0.00 177.43 176.89 3nsx h ALA 503 N 1.37 1.01 -0.22 -0.83 0.00 -0.83 -0.27 119.26 119.50 3nsx h ALA 503 Ca 0.35 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.29 3nsx h ALA 503 Cb 0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3nsx h ALA 503 CO -0.14 0.23 -0.04 -0.09 0.00 0.00 0.00 179.25 179.21 3nsx h ARG 504 N 0.89 0.02 -0.07 0.00 9.65 -1.13 -2.02 114.38 121.72 3nsx h ARG 504 Ca 0.32 -0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 59.10 3nsx h ARG 504 Cb 0.08 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 3nsx h ARG 504 CO -0.14 0.01 -0.41 1.88 2.80 0.00 0.00 179.97 184.12 3nsx h TYR 505 N 0.02 0.18 0.00 2.20 -1.99 -0.69 -1.54 116.97 115.15 3nsx h TYR 505 Ca 0.11 -0.05 -0.07 0.00 2.00 0.00 0.00 58.73 60.72 3nsx h TYR 505 Cb 0.15 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 3nsx h TYR 505 CO -0.22 0.54 -0.34 0.00 -0.00 0.00 0.00 178.16 178.15 3nsx h ARG 506 N 0.13 0.00 -0.01 4.88 3.08 -0.71 -2.82 114.38 118.94 3nsx h ARG 506 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3nsx h ARG 506 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 3nsx h ARG 506 CO 0.06 0.34 -0.30 1.28 -1.07 0.00 0.00 179.97 180.28 3nsx n LEU 507 N -3.95 1.25 -0.15 3.04 4.77 -0.72 -1.30 117.00 119.94 3nsx n LEU 507 Ca -0.02 -0.37 -0.06 0.00 -0.03 0.00 0.00 56.01 55.53 3nsx n LEU 507 Cb 0.40 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3nsx n LEU 507 CO 0.37 0.23 1.03 0.58 -1.33 0.00 0.00 177.39 178.28 3nsx h VAL 508 N 1.49 1.03 -0.69 4.08 2.07 -1.04 0.44 116.25 123.62 3nsx h VAL 508 Ca 0.00 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.39 3nsx h VAL 508 Cb 0.56 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 3nsx h VAL 508 CO 0.00 0.10 0.40 -0.65 0.02 0.00 0.00 177.57 177.44 3nsx h PRO 509 N 0.53 0.72 -0.08 1.57 0.11 -1.80 0.66 132.00 133.71 3nsx h PRO 509 Ca 0.19 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 3nsx h PRO 509 Cb 0.03 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 30.98 3nsx h PRO 509 CO -0.09 0.48 0.02 -0.92 -0.21 0.00 0.00 178.00 177.27 3nsx h TYR 510 N 0.74 0.14 -0.44 0.65 3.20 -1.63 -1.49 116.97 118.13 3nsx h TYR 510 Ca 0.31 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.11 3nsx h TYR 510 Cb 0.16 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3nsx h TYR 510 CO -0.07 0.33 0.09 -0.07 -1.64 0.00 0.00 178.16 176.80 3nsx h LEU 511 N -0.09 0.68 -0.55 2.82 3.38 -0.69 -0.51 115.31 120.35 3nsx h LEU 511 Ca 0.02 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3nsx h LEU 511 Cb 0.26 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3nsx h LEU 511 CO 0.00 0.75 0.32 0.22 0.09 0.00 0.00 178.44 179.82 3nsx h TYR 512 N 0.58 0.73 -0.24 1.13 3.20 -0.92 -0.33 116.97 121.11 3nsx h TYR 512 Ca 0.14 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.03 3nsx h TYR 512 Cb 0.35 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 3nsx h TYR 512 CO 0.02 0.51 0.06 1.03 -1.64 0.00 0.00 178.16 178.14 3nsx h SER 513 N 0.73 0.05 -0.53 -2.11 0.87 -0.91 -0.05 113.55 111.59 3nsx h SER 513 Ca 0.20 0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.72 3nsx h SER 513 Cb -0.00 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 3nsx h SER 513 CO -0.04 0.06 0.10 -0.33 -0.53 0.00 0.00 176.83 176.09 3nsx h GLU 514 N 0.17 0.93 -0.19 2.24 4.39 -0.92 -0.87 114.58 120.32 3nsx h GLU 514 Ca 0.11 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 3nsx h GLU 514 Cb 0.09 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3nsx h GLU 514 CO -0.13 0.86 0.11 -0.92 -1.16 0.00 0.00 179.01 177.77 3nsx h TYR 515 N 0.88 0.25 -0.37 4.33 3.20 -0.59 -1.01 116.97 123.66 3nsx h TYR 515 Ca 0.18 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 3nsx h TYR 515 Cb 0.38 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3nsx h TYR 515 CO 0.02 0.22 0.11 0.52 -1.64 0.00 0.00 178.16 177.39 3nsx h MET 516 N 0.22 0.58 -0.78 1.82 2.86 -0.77 0.74 114.93 119.59 3nsx h MET 516 Ca 0.07 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3nsx h MET 516 Cb 0.04 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 3nsx h MET 516 CO -0.01 0.59 0.47 0.87 1.06 0.00 0.00 176.91 179.89 3nsx h LYS 517 N 0.45 1.06 -0.16 1.72 1.57 -1.09 -0.45 116.57 119.66 3nsx h LYS 517 Ca 0.12 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3nsx h LYS 517 Cb 0.26 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3nsx h LYS 517 CO -0.00 0.75 0.02 0.00 -0.57 0.00 0.00 179.45 179.64 3nsx h ALA 518 N 1.25 0.22 -0.44 3.86 0.00 -0.88 -2.53 119.26 120.74 3nsx h ALA 518 Ca 0.28 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3nsx h ALA 518 Cb -0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3nsx h ALA 518 CO -0.05 -0.11 0.07 0.00 0.00 0.00 0.00 179.25 179.16 3nsx h ALA 519 N 0.80 0.58 0.00 0.00 0.00 -0.61 0.11 119.26 120.15 3nsx h ALA 519 Ca 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3nsx h ALA 519 Cb 0.33 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3nsx h ALA 519 CO 0.00 0.30 -0.04 -0.07 0.00 0.00 0.00 179.25 179.44 3nsx h LEU 520 N 0.59 0.00 -3.07 0.00 3.38 -1.10 -2.98 115.31 112.12 3nsx h LEU 520 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3nsx h LEU 520 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3nsx h LEU 520 CO 0.01 0.04 0.00 0.59 0.09 0.00 0.00 178.44 179.17 3nsx n ASN 521 N -3.18 3.20 -3.81 -0.43 3.02 -0.96 -4.98 115.26 108.12 3nsx n ASN 521 Ca -0.00 -2.56 -0.26 0.00 -0.03 0.00 0.00 54.58 51.73 3nsx n ASN 521 Cb 0.30 -0.37 0.03 0.00 -0.61 0.00 0.00 39.78 39.13 3nsx n ASN 521 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3nsx n ASP 522 N -0.23 -3.19 -4.69 6.41 8.00 -0.57 -4.98 116.55 117.30 3nsx n ASP 522 Ca 0.15 -0.79 -0.30 0.00 0.71 0.00 0.00 54.79 54.55 3nsx n ASP 522 Cb 0.64 -3.99 -0.09 0.00 -0.02 0.00 0.00 41.12 37.66 3nsx n ASP 522 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3nsx s ASP 523 N -3.79 4.01 0.03 -2.24 -1.08 0.27 -4.67 116.67 109.20 3nsx s ASP 523 Ca 0.36 -1.51 -0.13 0.00 -0.52 0.00 0.00 52.55 50.75 3nsx s ASP 523 Cb -0.18 0.07 -0.06 0.00 -1.46 0.00 0.00 42.92 41.29 3nsx s ASP 523 CO 0.82 -0.66 0.40 -0.04 0.52 0.00 0.00 175.17 176.22 3nsx s MET 524 N -3.80 3.86 -0.15 4.34 -1.94 -1.26 -4.46 119.30 115.89 3nsx s MET 524 Ca 0.20 0.33 -0.21 0.00 -1.71 0.00 0.00 55.69 54.30 3nsx s MET 524 Cb 0.06 -3.14 -0.19 0.00 2.01 0.00 0.00 34.83 33.56 3nsx s MET 524 CO 0.10 0.65 0.45 -0.92 -0.01 0.00 0.00 175.02 175.29 3nsx h TYR 525 N 4.38 0.00 -2.74 -0.03 3.20 -1.93 -3.42 116.97 116.44 3nsx h TYR 525 Ca -0.51 0.00 -0.66 0.00 3.14 0.00 0.00 58.73 60.70 3nsx h TYR 525 Cb 1.21 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.42 3nsx h TYR 525 CO 0.70 0.91 -0.49 -0.06 -1.64 0.00 0.00 178.16 177.58 3nsx s PHE 526 N -2.16 3.56 0.00 -3.82 0.08 -1.26 -1.39 117.98 113.00 3nsx s PHE 526 Ca -0.18 0.44 0.02 0.00 0.12 0.00 0.00 56.93 57.32 3nsx s PHE 526 Cb 0.00 -1.88 -0.01 0.00 -0.57 0.00 0.00 43.02 40.56 3nsx s PHE 526 CO 0.53 0.69 -0.05 0.15 -0.10 0.00 0.00 175.22 176.44 3nsx s LYS 527 N -1.43 0.43 0.64 0.44 1.02 0.07 -4.63 119.74 116.27 3nsx s LYS 527 Ca 0.20 -0.25 -0.17 0.00 0.02 0.00 0.00 55.97 55.78 3nsx s LYS 527 Cb -0.12 -0.39 -0.01 0.00 -0.52 0.00 0.00 37.83 36.79 3nsx s LYS 527 CO 0.11 0.10 1.17 -2.14 -0.92 0.00 0.00 175.35 173.67 3nsx s PRO 528 N -0.28 2.73 0.44 -1.68 0.02 -1.26 -0.97 135.00 134.00 3nsx s PRO 528 Ca 0.01 1.67 0.13 0.00 0.02 0.00 0.00 61.00 62.83 3nsx s PRO 528 Cb -0.03 -1.92 1.02 0.00 0.02 0.00 0.00 34.50 33.60 3nsx s PRO 528 CO -0.00 -1.36 2.01 -0.07 -0.33 0.00 0.00 177.00 177.25 3nsx h LEU 529 N 0.37 0.36 -2.04 -5.54 4.07 -1.80 -1.67 115.31 109.06 3nsx h LEU 529 Ca -0.49 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.46 3nsx h LEU 529 Cb 1.28 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.95 3nsx h LEU 529 CO 0.53 0.23 -0.08 1.23 -1.08 0.00 0.00 178.44 179.28 3nsx h GLY 530 N 0.40 0.00 2.00 0.83 0.00 -1.81 0.98 103.07 105.48 3nsx h GLY 530 Ca 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.47 3nsx h GLY 530 CO -0.06 0.00 -0.44 0.74 0.00 0.00 0.00 176.54 176.78 3nsx h PHE 531 N 0.00 0.00 0.01 5.60 -1.00 -1.67 -2.89 116.94 116.99 3nsx h PHE 531 Ca -0.00 0.00 -0.36 0.00 2.81 0.00 0.00 57.97 60.42 3nsx h PHE 531 Cb 0.16 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.66 3nsx h PHE 531 CO 0.00 0.44 -2.25 0.28 -1.61 0.00 0.00 178.31 175.17 3nsx n VAL 532 N -3.57 1.48 -3.18 -0.55 0.31 -0.59 -4.58 118.33 107.65 3nsx n VAL 532 Ca -0.00 -0.78 -0.26 0.00 -0.01 0.00 0.00 64.34 63.29 3nsx n VAL 532 Cb 0.55 -0.83 -0.06 0.00 -0.91 0.00 0.00 33.84 32.59 3nsx n VAL 532 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3nsx n TYR 533 N -2.95 3.01 0.30 3.52 4.01 0.24 -4.93 117.16 120.37 3nsx n TYR 533 Ca -0.32 -3.99 0.19 0.00 -0.16 0.00 0.00 57.90 53.61 3nsx n TYR 533 Cb 1.10 -0.49 0.93 0.00 -0.31 0.00 0.00 39.34 40.56 3nsx n TYR 533 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3nsx h PRO 534 N 3.54 0.00 -0.30 -0.72 0.13 -1.74 -2.21 132.00 130.69 3nsx h PRO 534 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3nsx h PRO 534 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 3nsx h PRO 534 CO 0.75 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.27 3nsx n ASP 535 N -2.92 2.76 -4.26 1.44 8.00 -1.26 -4.81 116.55 115.49 3nsx n ASP 535 Ca -0.01 -1.89 -0.39 0.00 0.71 0.00 0.00 54.79 53.21 3nsx n ASP 535 Cb 0.15 -0.19 -0.11 0.00 -0.02 0.00 0.00 41.12 40.95 3nsx n ASP 535 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3nsx s ASP 536 N -1.51 5.48 0.49 -2.24 -1.08 -0.83 -4.96 116.67 112.01 3nsx s ASP 536 Ca 0.36 -1.36 0.18 0.00 -0.52 0.00 0.00 52.55 51.20 3nsx s ASP 536 Cb 0.20 -1.93 1.21 0.00 -1.46 0.00 0.00 42.92 40.95 3nsx s ASP 536 CO 0.29 -0.44 2.07 0.11 0.52 0.00 0.00 175.17 177.73 3nsx h LYS 537 N 8.30 0.00 -0.02 4.34 1.79 -1.87 -1.45 116.57 127.65 3nsx h LYS 537 Ca -0.22 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.10 3nsx h LYS 537 Cb 1.08 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.74 3nsx h LYS 537 CO 0.68 0.10 -0.55 1.98 -1.08 0.00 0.00 179.45 180.59 3nsx h MET 538 N 0.00 0.41 -0.79 3.15 4.05 -1.95 -3.33 114.93 116.48 3nsx h MET 538 Ca -0.00 -0.41 -0.00 0.00 -0.28 0.00 0.00 59.70 59.00 3nsx h MET 538 Cb 0.20 0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.07 3nsx h MET 538 CO 0.01 1.07 0.47 0.00 0.23 0.00 0.00 176.91 178.70 3nsx h ALA 539 N 0.35 1.00 0.00 0.39 0.00 -1.63 -2.55 119.26 116.83 3nsx h ALA 539 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3nsx h ALA 539 Cb 1.25 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3nsx h ALA 539 CO 0.11 0.47 0.00 -0.84 0.00 0.00 0.00 179.25 178.99 3nsx h ILE 540 N 1.08 0.00 -0.24 0.00 3.07 -1.41 -2.16 117.51 117.84 3nsx h ILE 540 Ca 0.28 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 66.59 3nsx h ILE 540 Cb -0.04 1.06 0.00 0.00 -0.27 0.00 0.00 36.82 37.57 3nsx h ILE 540 CO -0.05 0.00 0.00 0.54 -1.05 0.00 0.00 178.15 177.59 3nsx n ARG 541 N -3.01 1.97 -2.35 0.16 1.74 -0.96 -4.57 116.66 109.64 3nsx n ARG 541 Ca -0.02 -1.86 -0.42 0.00 -0.77 0.00 0.00 57.85 54.77 3nsx n ARG 541 Cb 0.12 -1.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.16 3nsx n ARG 541 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3nsx s VAL 542 N -1.24 3.92 -0.04 1.55 1.01 -0.81 -4.92 120.40 119.87 3nsx s VAL 542 Ca 0.26 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.58 3nsx s VAL 542 Cb 0.16 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.68 3nsx s VAL 542 CO 0.22 0.05 0.32 -0.62 0.00 0.00 0.00 175.10 175.07 3nsx n GLU 543 N 4.67 2.15 -0.42 2.72 1.02 -1.26 -4.59 120.64 124.93 3nsx n GLU 543 Ca 0.11 -0.32 0.06 0.00 -0.02 0.00 0.00 57.16 56.99 3nsx n GLU 543 Cb 0.45 -0.82 0.19 0.00 -0.02 0.00 0.00 31.44 31.24 3nsx n GLU 543 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3nsx n ASP 544 N -0.38 2.35 -4.04 1.62 5.75 -1.26 -4.64 116.55 115.93 3nsx n ASP 544 Ca 0.00 -3.47 -0.10 0.00 -0.01 0.00 0.00 54.79 51.21 3nsx n ASP 544 Cb 0.01 -0.51 -0.11 0.00 -1.03 0.00 0.00 41.12 39.48 3nsx n ASP 544 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3nsx s GLN 545 N -3.06 0.48 0.03 0.11 -0.21 -1.26 -4.53 119.66 111.23 3nsx s GLN 545 Ca 0.37 -0.83 0.02 0.00 0.02 0.00 0.00 55.36 54.95 3nsx s GLN 545 Cb 0.34 -0.04 -0.02 0.00 1.00 0.00 0.00 33.01 34.29 3nsx s GLN 545 CO -0.00 -0.02 -0.07 -0.51 -2.12 0.00 0.00 175.29 172.56 3nsx s LEU 546 N -1.88 2.22 0.11 2.90 1.43 -0.68 -4.55 118.68 118.22 3nsx s LEU 546 Ca -0.08 -0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 52.36 3nsx s LEU 546 Cb -0.06 -0.17 -0.07 0.00 0.03 0.00 0.00 46.19 45.93 3nsx s LEU 546 CO -0.02 -0.17 0.60 -0.04 0.23 0.00 0.00 176.35 176.94 3nsx s MET 547 N -1.35 4.18 -0.11 1.70 -1.94 -0.15 -0.34 119.30 121.28 3nsx s MET 547 Ca -0.08 0.72 0.02 0.00 -1.71 0.00 0.00 55.69 54.64 3nsx s MET 547 Cb -0.09 -3.12 0.01 0.00 2.01 0.00 0.00 34.83 33.64 3nsx s MET 547 CO 0.00 0.57 -0.18 -1.17 -0.01 0.00 0.00 175.02 174.23 3nsx s LEU 548 N -1.42 1.86 0.00 -0.03 0.20 -0.41 -0.75 118.68 118.13 3nsx s LEU 548 Ca 0.33 -0.48 0.00 0.00 0.69 0.00 0.00 54.13 54.68 3nsx s LEU 548 Cb -0.18 -1.20 0.00 0.00 -0.43 0.00 0.00 46.19 44.38 3nsx s LEU 548 CO 0.20 0.06 0.00 0.61 -0.29 0.00 0.00 176.35 176.92 3nsx n GLY 549 N 4.02 2.85 0.02 7.98 0.00 -0.48 -2.88 105.19 116.70 3nsx n GLY 549 Ca -0.20 -0.32 0.02 0.00 0.00 0.00 0.00 46.02 45.53 3nsx n GLY 549 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3nsx n ASN 550 N 1.07 2.07 -0.02 1.61 3.02 -1.26 -4.78 115.26 116.97 3nsx n ASN 550 Ca 0.00 -2.27 -0.02 0.00 -0.03 0.00 0.00 54.58 52.27 3nsx n ASN 550 Cb 0.00 -0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.04 3nsx n ASN 550 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3nsx n GLU 551 N -0.73 2.71 -4.28 3.52 4.71 -1.20 -4.94 120.64 120.42 3nsx n GLU 551 Ca 0.04 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.04 3nsx n GLU 551 Cb 0.35 -1.08 -0.10 0.00 -1.01 0.00 0.00 31.44 29.60 3nsx n GLU 551 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 3nsx s ILE 552 N -2.08 0.71 -0.00 -3.67 -4.36 -1.14 -0.88 121.20 109.78 3nsx s ILE 552 Ca -0.02 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.43 3nsx s ILE 552 Cb 0.01 -2.32 -0.02 0.00 1.25 0.00 0.00 42.46 41.38 3nsx s ILE 552 CO 0.12 -0.30 -0.18 -0.32 0.24 0.00 0.00 174.94 174.50 3nsx s MET 553 N -3.94 1.37 0.18 0.37 -2.45 -0.06 -1.28 119.30 113.48 3nsx s MET 553 Ca 0.29 -0.68 0.08 0.00 -1.25 0.00 0.00 55.69 54.12 3nsx s MET 553 Cb 0.07 -1.35 -0.04 0.00 1.25 0.00 0.00 34.83 34.75 3nsx s MET 553 CO 0.08 0.36 -0.01 0.96 1.05 0.00 0.00 175.02 177.46 3nsx s ILE 554 N -0.51 3.65 -0.50 10.11 -4.36 0.54 -0.99 121.20 129.14 3nsx s ILE 554 Ca 0.06 -1.47 0.07 0.00 -0.26 0.00 0.00 60.65 59.05 3nsx s ILE 554 Cb -0.07 -2.83 0.20 0.00 1.25 0.00 0.00 42.46 41.00 3nsx s ILE 554 CO -0.00 -0.12 0.71 0.00 0.24 0.00 0.00 174.94 175.77 3nsx n ALA 555 N -0.12 -1.32 -1.77 2.27 0.00 -1.26 -1.69 120.51 116.61 3nsx n ALA 555 Ca -0.10 -1.30 -0.35 0.00 0.00 0.00 0.00 53.44 51.69 3nsx n ALA 555 Cb 0.55 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3nsx n ALA 555 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3nsx s PRO 556 N 0.74 3.37 0.02 0.00 0.04 -1.26 -4.97 135.00 132.94 3nsx s PRO 556 Ca 0.31 1.63 -0.30 0.00 0.04 0.00 0.00 61.00 62.68 3nsx s PRO 556 Cb 0.04 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 3nsx s PRO 556 CO -0.09 -0.84 1.03 0.08 0.04 0.00 0.00 177.00 177.22 3nsx s VAL 557 N -1.75 4.65 -0.04 -0.36 1.01 -1.26 -4.94 120.40 117.71 3nsx s VAL 557 Ca 0.72 1.92 0.06 0.00 0.00 0.00 0.00 61.98 64.68 3nsx s VAL 557 Cb -0.24 -4.23 0.10 0.00 0.00 0.00 0.00 36.38 32.00 3nsx s VAL 557 CO 0.28 0.16 0.97 0.00 0.00 0.00 0.00 175.10 176.50 3nsx n TYR 558 N 3.83 0.00 -4.81 5.22 0.18 -1.26 -4.89 117.16 115.42 3nsx n TYR 558 Ca 0.06 -0.41 -0.33 0.00 1.88 0.00 0.00 57.90 59.10 3nsx n TYR 558 Cb 0.50 -0.08 -0.15 0.00 -0.38 0.00 0.00 39.34 39.24 3nsx n TYR 558 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 3nsx s GLU 559 N -1.12 3.36 0.40 -3.48 2.02 -1.26 -4.77 118.70 113.84 3nsx s GLU 559 Ca 0.11 -0.70 -0.27 0.00 0.02 0.00 0.00 54.97 54.12 3nsx s GLU 559 Cb 0.09 -2.60 -0.10 0.00 0.10 0.00 0.00 34.13 31.62 3nsx s GLU 559 CO 0.01 0.21 1.42 -1.14 0.02 0.00 0.00 175.26 175.78 3nsx s GLN 560 N 0.35 3.99 0.00 1.61 0.74 -1.26 -2.41 119.66 122.68 3nsx s GLN 560 Ca -0.12 2.42 0.00 0.00 0.05 0.00 0.00 55.36 57.72 3nsx s GLN 560 Cb -0.16 -2.86 0.00 0.00 1.10 0.00 0.00 33.01 31.09 3nsx s GLN 560 CO 0.06 -0.57 0.00 0.09 -0.55 0.00 0.00 175.29 174.32 3nsx n ASN 561 N 0.26 -0.34 -4.76 6.67 3.02 -1.26 -4.99 115.26 113.86 3nsx n ASN 561 Ca 0.02 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.18 3nsx n ASN 561 Cb 0.41 -1.25 -0.04 0.00 -0.61 0.00 0.00 39.78 38.28 3nsx n ASN 561 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3nsx s ALA 562 N -2.48 3.32 -1.33 5.41 0.00 -1.01 -4.94 121.76 120.72 3nsx s ALA 562 Ca 0.00 0.82 0.14 0.00 0.00 0.00 0.00 51.96 52.92 3nsx s ALA 562 Cb 0.00 -3.30 0.35 0.00 0.00 0.00 0.00 23.12 20.17 3nsx s ALA 562 CO 0.00 -0.14 1.27 0.54 0.00 0.00 0.00 175.76 177.43 3nsx n ARG 563 N 0.88 2.52 -1.70 0.00 1.74 -1.26 -4.86 116.66 113.98 3nsx n ARG 563 Ca 0.00 -2.08 0.00 0.00 -0.77 0.00 0.00 57.85 55.01 3nsx n ARG 563 Cb 0.46 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 3nsx n ARG 563 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3nsx n GLY 564 N 0.83 0.55 3.52 -0.13 0.00 -1.26 -1.03 105.19 107.67 3nsx n GLY 564 Ca 0.14 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 3nsx n GLY 564 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3nsx s ARG 565 N -1.65 1.15 0.30 1.61 1.70 -0.36 -4.87 118.95 116.83 3nsx s ARG 565 Ca 0.00 -0.47 -0.23 0.00 -0.47 0.00 0.00 55.73 54.56 3nsx s ARG 565 Cb 0.00 0.50 -0.09 0.00 -0.57 0.00 0.00 34.95 34.78 3nsx s ARG 565 CO 0.00 -0.51 0.87 0.71 -1.08 0.00 0.00 175.30 175.29 3nsx s TYR 566 N -3.50 3.63 0.05 5.89 2.02 -1.26 -0.92 117.35 123.26 3nsx s TYR 566 Ca 0.04 1.62 -0.00 0.00 -0.37 0.00 0.00 57.07 58.37 3nsx s TYR 566 Cb -0.01 -2.81 -0.03 0.00 -0.40 0.00 0.00 41.96 38.70 3nsx s TYR 566 CO -0.09 0.21 -0.04 0.14 -1.57 0.00 0.00 175.55 174.21 3nsx s VAL 567 N -1.66 0.29 -0.16 0.71 -7.23 0.37 -4.95 120.40 107.78 3nsx s VAL 567 Ca 0.49 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 3nsx s VAL 567 Cb -0.17 -1.10 -0.00 0.00 0.56 0.00 0.00 36.38 35.67 3nsx s VAL 567 CO 0.22 -0.78 -0.15 -0.47 -0.31 0.00 0.00 175.10 173.61 3nsx s TYR 568 N -2.94 2.79 -0.33 2.82 5.04 -1.26 -1.29 117.35 122.18 3nsx s TYR 568 Ca -0.00 -1.04 -0.11 0.00 -2.44 0.00 0.00 57.07 53.48 3nsx s TYR 568 Cb 0.01 -1.90 -0.01 0.00 0.35 0.00 0.00 41.96 40.41 3nsx s TYR 568 CO -0.06 -0.48 0.18 -0.51 -1.34 0.00 0.00 175.55 173.34 3nsx s LEU 569 N 0.86 4.28 0.00 6.97 1.02 0.02 -4.96 118.68 126.87 3nsx s LEU 569 Ca -0.04 -0.56 0.26 0.00 0.02 0.00 0.00 54.13 53.81 3nsx s LEU 569 Cb -0.15 -2.04 1.30 0.00 0.02 0.00 0.00 46.19 45.32 3nsx s LEU 569 CO -0.01 -0.23 1.87 -2.65 0.02 0.00 0.00 176.35 175.36 3nsx n PRO 570 N 5.01 0.36 -3.93 1.29 -0.02 -1.26 -0.53 135.00 135.92 3nsx n PRO 570 Ca -0.13 0.04 -0.09 0.00 -2.02 0.00 0.00 63.50 61.30 3nsx n PRO 570 Cb 0.49 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.44 3nsx n PRO 570 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3nsx s GLU 571 N -2.57 1.73 0.36 -0.52 -1.05 -1.26 -4.91 118.70 110.47 3nsx s GLU 571 Ca 0.24 -1.20 -0.28 0.00 -0.15 0.00 0.00 54.97 53.58 3nsx s GLU 571 Cb 0.17 0.54 -0.11 0.00 -0.44 0.00 0.00 34.13 34.29 3nsx s GLU 571 CO 0.39 -0.76 1.42 -2.00 0.95 0.00 0.00 175.26 175.27 3nsx s GLU 572 N -3.76 4.20 0.06 -4.83 2.12 -1.26 -4.01 118.70 111.22 3nsx s GLU 572 Ca 0.18 2.44 -0.06 0.00 0.36 0.00 0.00 54.97 57.90 3nsx s GLU 572 Cb -0.03 -3.01 -0.01 0.00 0.26 0.00 0.00 34.13 31.34 3nsx s GLU 572 CO 0.09 -0.41 0.10 -1.64 -0.54 0.00 0.00 175.26 172.86 3nsx s MET 573 N -1.97 0.68 -0.32 4.30 -1.94 -0.62 -1.71 119.30 117.72 3nsx s MET 573 Ca 0.51 -0.93 -0.18 0.00 -1.71 0.00 0.00 55.69 53.39 3nsx s MET 573 Cb -0.44 0.26 -0.01 0.00 2.01 0.00 0.00 34.83 36.65 3nsx s MET 573 CO 0.59 -0.18 0.49 0.15 -0.01 0.00 0.00 175.02 176.07 3nsx s LYS 574 N -3.34 3.77 -0.31 2.03 1.02 0.26 -0.88 119.74 122.29 3nsx s LYS 574 Ca 0.01 -0.03 -0.29 0.00 0.02 0.00 0.00 55.97 55.68 3nsx s LYS 574 Cb 0.03 -3.75 0.02 0.00 -0.52 0.00 0.00 37.83 33.60 3nsx s LYS 574 CO -0.08 -0.53 1.06 0.12 -0.92 0.00 0.00 175.35 175.00 3nsx s PHE 575 N 2.33 3.17 0.13 3.18 5.36 0.84 -0.49 117.98 132.49 3nsx s PHE 575 Ca 0.19 1.21 0.10 0.00 -0.96 0.00 0.00 56.93 57.47 3nsx s PHE 575 Cb -0.16 -3.63 -0.04 0.00 -0.34 0.00 0.00 43.02 38.85 3nsx s PHE 575 CO 0.12 -0.73 -0.26 0.96 -1.46 0.00 0.00 175.22 173.85 3nsx s ILE 576 N 3.58 2.16 -0.05 3.12 -4.36 0.24 -1.26 121.20 124.63 3nsx s ILE 576 Ca 0.45 -1.73 0.01 0.00 -0.26 0.00 0.00 60.65 59.12 3nsx s ILE 576 Cb -0.12 -1.92 0.02 0.00 1.25 0.00 0.00 42.46 41.68 3nsx s ILE 576 CO 0.14 0.05 -0.07 -0.54 0.24 0.00 0.00 174.94 174.77 3nsx s LYS 577 N -2.06 1.11 -0.11 0.37 1.02 -0.83 -1.23 119.74 118.01 3nsx s LYS 577 Ca 0.13 -0.20 -0.29 0.00 0.02 0.00 0.00 55.97 55.63 3nsx s LYS 577 Cb -0.10 -1.04 -0.03 0.00 -0.52 0.00 0.00 37.83 36.14 3nsx s LYS 577 CO 0.06 -0.06 1.37 -0.06 -0.92 0.00 0.00 175.35 175.74 3nsx s PHE 578 N 0.90 2.65 0.13 3.18 0.40 -0.25 -1.34 117.98 123.64 3nsx s PHE 578 Ca -0.11 0.79 0.03 0.00 -0.60 0.00 0.00 56.93 57.04 3nsx s PHE 578 Cb -0.15 -3.62 -0.04 0.00 0.51 0.00 0.00 43.02 39.73 3nsx s PHE 578 CO 0.01 -2.31 0.19 -1.64 0.70 0.00 0.00 175.22 172.17 3nsx s MET 579 N 3.42 3.18 0.61 0.44 -1.94 -0.39 -2.35 119.30 122.27 3nsx s MET 579 Ca 0.61 -0.67 0.37 0.00 -1.71 0.00 0.00 55.69 54.29 3nsx s MET 579 Cb -0.26 -2.84 1.98 0.00 2.01 0.00 0.00 34.83 35.72 3nsx s MET 579 CO 0.20 0.53 2.24 -1.35 -0.01 0.00 0.00 175.02 176.63 3nsx h PRO 580 N 2.58 0.00 -0.11 2.03 0.11 -1.87 -0.71 132.00 134.03 3nsx h PRO 580 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3nsx h PRO 580 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3nsx h PRO 580 CO 0.68 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 3nsx n ASP 581 N -3.33 0.97 0.00 -2.05 5.75 -1.26 -4.88 116.55 111.76 3nsx n ASP 581 Ca -0.02 -1.66 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 3nsx n ASP 581 Cb 0.14 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 3nsx n ASP 581 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3nsx n GLY 582 N 0.95 0.83 3.92 6.12 0.00 -0.27 -5.05 105.19 111.69 3nsx n GLY 582 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 3nsx n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3nsx s SER 583 N -2.98 5.00 -0.19 1.61 1.04 -1.25 -4.86 113.70 112.06 3nsx s SER 583 Ca 0.00 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.03 3nsx s SER 583 Cb 0.00 -1.32 0.04 0.00 0.10 0.00 0.00 66.02 64.84 3nsx s SER 583 CO 0.00 -1.50 -0.08 -0.63 0.98 0.00 0.00 173.24 172.01 3nsx s ILE 584 N -3.24 1.43 0.36 -1.02 1.01 -1.26 -1.26 121.20 117.22 3nsx s ILE 584 Ca 0.59 -0.87 -0.21 0.00 0.00 0.00 0.00 60.65 60.16 3nsx s ILE 584 Cb -0.11 -1.55 -0.10 0.00 0.01 0.00 0.00 42.46 40.71 3nsx s ILE 584 CO 0.46 0.14 0.88 -0.94 0.00 0.00 0.00 174.94 175.49 3nsx s SER 585 N 1.49 7.01 -0.01 3.58 1.04 -0.45 -4.89 113.70 121.47 3nsx s SER 585 Ca -0.01 1.61 0.01 0.00 0.48 0.00 0.00 55.95 58.05 3nsx s SER 585 Cb -0.16 -2.50 0.01 0.00 0.10 0.00 0.00 66.02 63.46 3nsx s SER 585 CO -0.08 -0.22 -0.02 -1.61 0.98 0.00 0.00 173.24 172.29 3nsx s GLU 586 N -2.76 0.25 -0.11 4.02 2.02 -1.26 -1.96 118.70 118.91 3nsx s GLU 586 Ca 0.56 -0.04 -0.05 0.00 0.02 0.00 0.00 54.97 55.45 3nsx s GLU 586 Cb -0.12 -0.31 0.05 0.00 0.10 0.00 0.00 34.13 33.85 3nsx s GLU 586 CO 0.17 -0.00 0.24 -2.00 0.02 0.00 0.00 175.26 173.69 3nsx s GLU 587 N 0.28 0.18 0.05 1.61 2.12 -0.39 -4.98 118.70 117.58 3nsx s GLU 587 Ca -0.03 0.58 -0.30 0.00 0.36 0.00 0.00 54.97 55.58 3nsx s GLU 587 Cb -0.05 -0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.18 3nsx s GLU 587 CO -0.01 -0.20 1.08 0.08 -0.54 0.00 0.00 175.26 175.68 3nsx s VAL 588 N 1.55 4.40 -0.06 3.70 1.01 -1.26 -0.11 120.40 129.63 3nsx s VAL 588 Ca -0.07 1.76 0.04 0.00 0.00 0.00 0.00 61.98 63.71 3nsx s VAL 588 Cb -0.11 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.15 3nsx s VAL 588 CO -0.08 0.16 -0.17 -0.76 0.00 0.00 0.00 175.10 174.25 3nsx s LEU 589 N 0.87 1.85 0.76 3.92 1.43 -0.06 -4.94 118.68 122.51 3nsx s LEU 589 Ca 0.54 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 3nsx s LEU 589 Cb -0.25 -1.00 0.05 0.00 0.03 0.00 0.00 46.19 45.01 3nsx s LEU 589 CO 0.29 0.11 1.10 -1.61 0.23 0.00 0.00 176.35 176.47 3nsx s GLU 590 N 0.32 2.39 0.28 1.70 2.02 -1.26 -1.59 118.70 122.56 3nsx s GLU 590 Ca -0.11 0.57 -0.29 0.00 0.02 0.00 0.00 54.97 55.17 3nsx s GLU 590 Cb -0.14 -1.96 -0.14 0.00 0.10 0.00 0.00 34.13 31.99 3nsx s GLU 590 CO 0.04 -1.39 1.07 1.17 0.02 0.00 0.00 175.26 176.17 3nsx n LYS 591 N -3.27 1.45 0.00 1.61 4.81 -1.26 -4.74 118.16 116.77 3nsx n LYS 591 Ca 0.07 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 3nsx n LYS 591 Cb 0.57 -1.93 0.00 0.00 0.02 0.00 0.00 35.03 33.69 3nsx n LYS 591 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3nsx n GLY 592 N 1.30 0.59 3.78 3.14 0.00 0.31 -4.95 105.19 109.36 3nsx n GLY 592 Ca 0.10 -2.15 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 3nsx n GLY 592 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3nsx s VAL 593 N -0.92 4.79 0.03 1.61 1.01 -1.26 -0.80 120.40 124.86 3nsx s VAL 593 Ca 0.00 1.27 -0.08 0.00 0.00 0.00 0.00 61.98 63.18 3nsx s VAL 593 Cb 0.00 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.44 3nsx s VAL 593 CO 0.00 0.49 0.15 -1.00 0.00 0.00 0.00 175.10 174.74 3nsx s HIS 594 N -0.67 0.10 -0.20 5.22 3.76 -0.41 -5.00 115.29 118.09 3nsx s HIS 594 Ca 0.31 -0.32 -0.05 0.00 -0.15 0.00 0.00 55.06 54.84 3nsx s HIS 594 Cb -0.19 -0.07 -0.02 0.00 1.11 0.00 0.00 32.58 33.40 3nsx s HIS 594 CO 0.19 -0.38 -0.00 -0.47 -0.85 0.00 0.00 174.74 173.23 3nsx s TYR 595 N -2.35 3.04 -0.07 1.40 5.04 -1.26 -0.47 117.35 122.67 3nsx s TYR 595 Ca -0.07 -0.46 0.01 0.00 -2.44 0.00 0.00 57.07 54.11 3nsx s TYR 595 Cb -0.02 -2.08 -0.03 0.00 0.35 0.00 0.00 41.96 40.18 3nsx s TYR 595 CO -0.03 -0.24 -0.09 0.14 -1.34 0.00 0.00 175.55 174.00 3nsx s VAL 596 N 0.99 3.55 -0.05 3.14 -7.23 -0.10 -4.94 120.40 115.76 3nsx s VAL 596 Ca 0.02 -0.53 -0.26 0.00 -1.81 0.00 0.00 61.98 59.39 3nsx s VAL 596 Cb -0.14 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 3nsx s VAL 596 CO 0.02 0.59 0.83 -1.81 -0.31 0.00 0.00 175.10 174.41 3nsx s ASP 597 N -0.66 7.14 -0.19 4.85 1.01 -1.26 -1.22 116.67 126.34 3nsx s ASP 597 Ca 0.10 1.38 -0.04 0.00 0.71 0.00 0.00 52.55 54.70 3nsx s ASP 597 Cb -0.11 -2.48 0.08 0.00 1.01 0.00 0.00 42.92 41.41 3nsx s ASP 597 CO 0.02 -0.20 0.14 -0.69 0.21 0.00 0.00 175.17 174.64 3nsx s VAL 598 N 1.02 -0.17 0.79 -1.27 1.01 -0.20 -4.93 120.40 116.65 3nsx s VAL 598 Ca 0.44 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 3nsx s VAL 598 Cb -0.19 -0.64 0.06 0.00 0.00 0.00 0.00 36.38 35.61 3nsx s VAL 598 CO 0.22 -0.29 1.09 0.00 0.00 0.00 0.00 175.10 176.11 3nsx s ALA 599 N 2.20 2.27 0.50 5.51 0.00 -1.26 -4.04 121.76 126.94 3nsx s ALA 599 Ca 0.04 -0.14 0.20 0.00 0.00 0.00 0.00 51.96 52.06 3nsx s ALA 599 Cb -0.16 -3.13 1.26 0.00 0.00 0.00 0.00 23.12 21.10 3nsx s ALA 599 CO -0.13 -1.69 2.02 -0.07 0.00 0.00 0.00 175.76 175.89 3nsx h LEU 600 N -1.06 0.11 -3.46 0.00 3.38 -1.94 -2.02 115.31 110.32 3nsx h LEU 600 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3nsx h LEU 600 Cb 1.26 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3nsx h LEU 600 CO 0.58 0.07 0.00 -0.46 0.09 0.00 0.00 178.44 178.72 3nsx n ASN 601 N -4.44 5.17 -4.38 -0.43 0.23 -1.26 -4.75 115.26 105.40 3nsx n ASN 601 Ca 0.08 -2.92 -0.32 0.00 -0.53 0.00 0.00 54.58 50.88 3nsx n ASN 601 Cb 0.45 -0.64 -0.15 0.00 -2.08 0.00 0.00 39.78 37.37 3nsx n ASN 601 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3nsx s GLU 602 N -2.72 2.59 -0.26 -3.83 2.02 -0.76 -4.15 118.70 111.59 3nsx s GLU 602 Ca 0.51 -0.78 -0.05 0.00 0.02 0.00 0.00 54.97 54.67 3nsx s GLU 602 Cb 0.39 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 32.31 3nsx s GLU 602 CO 0.15 0.49 0.02 0.08 0.02 0.00 0.00 175.26 176.02 3nsx s VAL 603 N -0.41 3.64 0.15 2.63 1.01 -0.99 -4.68 120.40 121.74 3nsx s VAL 603 Ca 0.04 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 3nsx s VAL 603 Cb -0.12 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 3nsx s VAL 603 CO 0.02 0.22 0.35 -2.16 0.00 0.00 0.00 175.10 173.53 3nsx s PRO 604 N 1.47 3.56 0.29 2.72 0.04 -1.26 -1.09 135.00 140.72 3nsx s PRO 604 Ca 0.03 -0.23 -0.18 0.00 0.04 0.00 0.00 61.00 60.67 3nsx s PRO 604 Cb -0.16 -2.88 0.02 0.00 0.04 0.00 0.00 34.50 31.52 3nsx s PRO 604 CO -0.00 0.47 0.66 -0.48 0.04 0.00 0.00 177.00 177.69 3nsx s LEU 605 N -2.83 -0.06 -0.05 -3.56 0.05 -0.37 -4.69 118.68 107.17 3nsx s LEU 605 Ca 0.39 -0.77 0.04 0.00 0.05 0.00 0.00 54.13 53.84 3nsx s LEU 605 Cb -0.12 2.48 0.00 0.00 -2.05 0.00 0.00 46.19 46.50 3nsx s LEU 605 CO 0.27 -1.34 -0.17 -0.36 -0.55 0.00 0.00 176.35 174.20 3nsx s PHE 606 N -3.73 1.75 -0.23 3.48 0.08 -0.16 -0.59 117.98 118.57 3nsx s PHE 606 Ca 0.15 -0.56 -0.10 0.00 0.12 0.00 0.00 56.93 56.54 3nsx s PHE 606 Cb -0.04 -1.19 -0.05 0.00 -0.57 0.00 0.00 43.02 41.17 3nsx s PHE 606 CO 0.08 -0.22 0.13 0.42 -0.10 0.00 0.00 175.22 175.54 3nsx s ILE 607 N 0.20 5.10 0.53 0.64 1.01 0.35 -0.88 121.20 128.15 3nsx s ILE 607 Ca -0.08 0.09 -0.21 0.00 0.00 0.00 0.00 60.65 60.45 3nsx s ILE 607 Cb -0.13 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 3nsx s ILE 607 CO 0.03 0.36 1.24 -0.13 0.00 0.00 0.00 174.94 176.44 3nsx s ARG 608 N 1.08 3.30 0.08 2.79 0.52 -0.06 -0.58 118.95 126.08 3nsx s ARG 608 Ca 0.06 1.93 -0.37 0.00 -0.52 0.00 0.00 55.73 56.84 3nsx s ARG 608 Cb -0.14 -2.19 -0.18 0.00 0.52 0.00 0.00 34.95 32.96 3nsx s ARG 608 CO 0.04 -0.97 1.17 0.45 0.02 0.00 0.00 175.30 176.02 3nsx n SER 609 N -1.04 0.86 -0.40 0.23 2.88 -0.69 -1.71 113.62 113.76 3nsx n SER 609 Ca 0.10 1.14 -0.05 0.00 -1.33 0.00 0.00 58.87 58.73 3nsx n SER 609 Cb 0.48 -1.09 -0.02 0.00 -0.75 0.00 0.00 64.21 62.83 3nsx n SER 609 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3nsx n GLY 610 N 2.05 0.78 3.37 0.46 0.00 -1.26 -5.02 105.19 105.57 3nsx n GLY 610 Ca 0.18 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 3nsx n GLY 610 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3nsx s LYS 611 N -2.19 1.41 0.13 1.61 -0.14 -0.69 -4.64 119.74 115.23 3nsx s LYS 611 Ca 0.00 -1.68 -0.08 0.00 -1.36 0.00 0.00 55.97 52.85 3nsx s LYS 611 Cb 0.00 -1.02 -0.01 0.00 -1.68 0.00 0.00 37.83 35.12 3nsx s LYS 611 CO 0.00 0.07 0.21 0.00 -0.76 0.00 0.00 175.35 174.87 3nsx s ILE 613 N -3.93 0.86 0.25 0.00 -4.36 -0.28 -4.75 121.20 108.99 3nsx s ILE 613 Ca 0.13 -1.21 -0.24 0.00 -0.26 0.00 0.00 60.65 59.07 3nsx s ILE 613 Cb 0.05 -0.87 -0.09 0.00 1.25 0.00 0.00 42.46 42.79 3nsx s ILE 613 CO -0.04 -0.30 0.84 -2.16 0.24 0.00 0.00 174.94 173.51 3nsx s PRO 614 N -1.69 4.49 -0.08 0.37 0.04 -1.26 -1.09 135.00 135.77 3nsx s PRO 614 Ca -0.05 1.15 -0.01 0.00 0.04 0.00 0.00 61.00 62.13 3nsx s PRO 614 Cb -0.10 -2.95 0.03 0.00 0.04 0.00 0.00 34.50 31.52 3nsx s PRO 614 CO 0.01 0.39 -0.03 0.08 0.04 0.00 0.00 177.00 177.49 3nsx s VAL 615 N -1.46 0.63 0.48 -0.36 1.01 0.59 -4.45 120.40 116.83 3nsx s VAL 615 Ca 0.44 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.30 3nsx s VAL 615 Cb -0.19 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3nsx s VAL 615 CO 0.24 0.30 0.80 0.00 0.00 0.00 0.00 175.10 176.44 3nsx s ALA 616 N 1.74 3.37 0.59 5.51 0.00 -0.42 -1.15 121.76 131.40 3nsx s ALA 616 Ca 0.03 -0.43 -0.19 0.00 0.00 0.00 0.00 51.96 51.37 3nsx s ALA 616 Cb -0.13 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 3nsx s ALA 616 CO -0.05 -0.34 1.21 -1.21 0.00 0.00 0.00 175.76 175.37 3nsx s GLU 617 N -4.66 2.96 0.21 0.00 0.41 -1.26 -4.52 118.70 111.84 3nsx s GLU 617 Ca 0.49 1.84 -0.31 0.00 -0.41 0.00 0.00 54.97 56.58 3nsx s GLU 617 Cb -0.10 -1.93 -0.10 0.00 -1.78 0.00 0.00 34.13 30.22 3nsx s GLU 617 CO 0.44 -1.22 1.50 0.00 -0.49 0.00 0.00 175.26 175.49 3nsx s ALA 618 N -1.58 3.69 0.27 5.21 0.00 -1.26 -4.68 121.76 123.41 3nsx s ALA 618 Ca 0.78 1.34 0.06 0.00 0.00 0.00 0.00 51.96 54.14 3nsx s ALA 618 Cb -0.31 -3.59 -0.06 0.00 0.00 0.00 0.00 23.12 19.17 3nsx s ALA 618 CO 0.33 -0.76 -0.04 0.00 0.00 0.00 0.00 175.76 175.29 3nsx s ALA 619 N 0.53 2.25 -1.85 0.00 0.00 -1.26 -5.04 121.76 116.39 3nsx s ALA 619 Ca 0.64 -1.88 0.23 0.00 0.00 0.00 0.00 51.96 50.95 3nsx s ALA 619 Cb -0.43 0.26 0.13 0.00 0.00 0.00 0.00 23.12 23.09 3nsx s ALA 619 CO 0.38 -0.11 1.17 0.39 0.00 0.00 0.00 175.76 177.59 3nsx n GLU 620 N -0.56 0.98 -3.62 0.00 1.02 -1.26 -4.70 120.64 112.50 3nsx n GLU 620 Ca -0.05 -0.77 -0.11 0.00 -0.02 0.00 0.00 57.16 56.21 3nsx n GLU 620 Cb 0.64 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.53 3nsx n GLU 620 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3nsx h VAL 622 N 2.44 1.13 -0.72 0.00 2.07 -1.91 -2.08 116.25 117.18 3nsx h VAL 622 Ca -0.34 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 66.85 3nsx h VAL 622 Cb 1.25 -0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3nsx h VAL 622 CO 0.46 0.21 0.47 0.50 0.02 0.00 0.00 177.57 179.23 3nsx h LYS 623 N 1.14 0.77 -0.01 1.57 3.64 -1.97 -2.70 116.57 119.01 3nsx h LYS 623 Ca 0.38 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3nsx h LYS 623 Cb 0.07 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3nsx h LYS 623 CO -0.13 0.51 -0.03 -0.25 -2.27 0.00 0.00 179.45 177.28 3nsx n ASP 624 N -4.47 0.95 -4.72 4.20 8.00 -0.79 -4.90 116.55 114.83 3nsx n ASP 624 Ca 0.10 -1.21 -0.42 0.00 0.71 0.00 0.00 54.79 53.97 3nsx n ASP 624 Cb 0.19 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 3nsx n ASP 624 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3nsx s ILE 625 N -2.09 2.84 -0.58 0.53 1.01 -1.02 -4.89 121.20 117.00 3nsx s ILE 625 Ca 0.39 0.61 -0.22 0.00 0.00 0.00 0.00 60.65 61.42 3nsx s ILE 625 Cb 0.21 -3.39 0.06 0.00 0.01 0.00 0.00 42.46 39.35 3nsx s ILE 625 CO 0.37 0.05 0.87 -0.62 0.00 0.00 0.00 174.94 175.61 3nsx s ASP 626 N 1.07 6.25 0.00 3.58 2.15 -1.26 -4.88 116.67 123.58 3nsx s ASP 626 Ca 0.68 -0.77 0.24 0.00 0.43 0.00 0.00 52.55 53.13 3nsx s ASP 626 Cb -0.41 -2.39 0.45 0.00 -0.30 0.00 0.00 42.92 40.27 3nsx s ASP 626 CO 0.32 -1.22 1.41 0.35 -0.17 0.00 0.00 175.17 175.85 3nsx n THR 627 N 5.93 0.18 0.10 1.71 -2.24 -1.26 -4.06 114.28 114.63 3nsx n THR 627 Ca -0.03 -0.52 0.02 0.00 -2.27 0.00 0.00 64.05 61.25 3nsx n THR 627 Cb 0.46 1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 69.74 3nsx n THR 627 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3nsx h GLU 628 N 4.02 0.00 -1.65 -0.78 4.81 -2.03 -3.38 114.58 115.56 3nsx h GLU 628 Ca 0.00 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.71 3nsx h GLU 628 Cb 0.87 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 29.83 3nsx h GLU 628 CO 0.00 0.38 -0.87 0.09 -0.73 0.00 0.00 179.01 177.87 3nsx n ASN 629 N -3.06 3.42 -4.87 1.04 3.02 -1.26 -5.08 115.26 108.48 3nsx n ASN 629 Ca -0.03 -3.40 -0.31 0.00 -0.03 0.00 0.00 54.58 50.82 3nsx n ASN 629 Cb 0.76 -0.52 -0.05 0.00 -0.61 0.00 0.00 39.78 39.36 3nsx n ASN 629 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3nsx s MET 630 N -3.29 3.85 0.42 3.52 -1.94 -1.26 -4.77 119.30 115.83 3nsx s MET 630 Ca 0.43 0.45 -0.20 0.00 -1.71 0.00 0.00 55.69 54.65 3nsx s MET 630 Cb 0.38 -2.49 -0.11 0.00 2.01 0.00 0.00 34.83 34.62 3nsx s MET 630 CO -0.11 0.14 0.93 -0.65 -0.01 0.00 0.00 175.02 175.32 3nsx s GLN 631 N -3.27 4.21 -0.24 2.03 -0.21 -0.30 -4.83 119.66 117.04 3nsx s GLN 631 Ca 0.51 1.08 -0.07 0.00 0.02 0.00 0.00 55.36 56.90 3nsx s GLN 631 Cb -0.10 -2.20 -0.02 0.00 1.00 0.00 0.00 33.01 31.68 3nsx s GLN 631 CO 0.24 -0.01 0.04 -0.51 -2.12 0.00 0.00 175.29 172.93 3nsx s LEU 632 N -3.17 3.32 -0.13 2.90 1.43 -1.26 -0.30 118.68 121.47 3nsx s LEU 632 Ca 0.61 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.45 3nsx s LEU 632 Cb -0.09 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 3nsx s LEU 632 CO 0.13 -0.03 -0.07 -0.63 0.23 0.00 0.00 176.35 175.99 3nsx s ILE 633 N 1.57 3.65 -0.24 -0.59 -1.09 -0.25 -4.94 121.20 119.32 3nsx s ILE 633 Ca 0.06 -0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 3nsx s ILE 633 Cb -0.15 -2.57 0.00 0.00 -1.58 0.00 0.00 42.46 38.16 3nsx s ILE 633 CO 0.02 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 3nsx n GLY 634 N 3.29 0.36 3.78 6.18 0.00 -1.26 -1.12 105.19 116.42 3nsx n GLY 634 Ca -0.18 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.27 3nsx n GLY 634 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3nsx s TYR 635 N -4.00 3.60 0.36 1.61 2.02 -0.13 -4.98 117.35 115.82 3nsx s TYR 635 Ca 0.00 0.86 -0.27 0.00 -0.37 0.00 0.00 57.07 57.28 3nsx s TYR 635 Cb 0.00 -2.36 -0.12 0.00 -0.40 0.00 0.00 41.96 39.08 3nsx s TYR 635 CO 0.00 0.43 1.24 0.39 -1.57 0.00 0.00 175.55 176.03 3nsx n GLU 636 N 2.73 1.96 -0.78 -0.62 -0.58 -1.26 -2.42 120.64 119.67 3nsx n GLU 636 Ca -0.12 0.69 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 3nsx n GLU 636 Cb 0.52 -2.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.13 3nsx n GLU 636 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3nsx n GLY 637 N 0.85 0.91 3.98 0.62 0.00 -0.40 -4.99 105.19 106.15 3nsx n GLY 637 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 3nsx n GLY 637 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3nsx s SER 638 N -3.01 5.42 0.09 1.61 1.04 -1.01 -4.90 113.70 112.95 3nsx s SER 638 Ca 0.00 -0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.44 3nsx s SER 638 Cb 0.00 -0.95 -0.03 0.00 0.10 0.00 0.00 66.02 65.14 3nsx s SER 638 CO 0.00 -1.01 -0.11 -0.44 0.98 0.00 0.00 173.24 172.66 3nsx s SER 639 N -4.38 1.55 -0.02 7.02 0.01 -1.26 -1.45 113.70 115.17 3nsx s SER 639 Ca 0.55 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 57.07 3nsx s SER 639 Cb -0.10 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.14 3nsx s SER 639 CO 0.37 -0.19 0.02 -0.47 0.41 0.00 0.00 173.24 173.38 3nsx s TYR 640 N -2.03 0.08 -0.36 2.43 5.04 0.73 -4.49 117.35 118.75 3nsx s TYR 640 Ca 0.03 0.08 -0.15 0.00 -2.44 0.00 0.00 57.07 54.59 3nsx s TYR 640 Cb -0.05 -0.23 -0.01 0.00 0.35 0.00 0.00 41.96 42.02 3nsx s TYR 640 CO 0.01 -0.08 0.32 0.99 -1.34 0.00 0.00 175.55 175.45 3nsx s THR 641 N 0.84 5.21 -0.23 4.34 2.01 -1.26 -0.26 115.64 126.29 3nsx s THR 641 Ca -0.07 -0.17 -0.18 0.00 0.31 0.00 0.00 61.69 61.58 3nsx s THR 641 Cb -0.10 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 3nsx s THR 641 CO -0.02 -0.12 0.50 -0.22 -0.69 0.00 0.00 174.62 174.07 3nsx s LEU 642 N 1.88 4.10 -0.09 4.42 2.96 0.40 -4.91 118.68 127.45 3nsx s LEU 642 Ca 0.09 0.58 -0.23 0.00 -0.22 0.00 0.00 54.13 54.36 3nsx s LEU 642 Cb -0.17 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 3nsx s LEU 642 CO 0.11 -0.22 0.67 -0.47 -1.32 0.00 0.00 176.35 175.12 3nsx s TYR 643 N 1.91 3.55 -0.15 5.38 5.04 -1.26 -1.41 117.35 130.41 3nsx s TYR 643 Ca 0.22 1.18 -0.07 0.00 -2.44 0.00 0.00 57.07 55.96 3nsx s TYR 643 Cb -0.15 -2.78 0.06 0.00 0.35 0.00 0.00 41.96 39.44 3nsx s TYR 643 CO 0.09 0.07 0.34 -2.00 -1.34 0.00 0.00 175.55 172.71 3nsx s GLU 644 N 0.91 0.29 0.00 4.97 2.12 0.85 -4.26 118.70 123.57 3nsx s GLU 644 Ca 0.35 0.77 0.00 0.00 0.36 0.00 0.00 54.97 56.45 3nsx s GLU 644 Cb -0.17 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.24 3nsx s GLU 644 CO 0.16 -0.20 0.00 -0.40 -0.54 0.00 0.00 175.26 174.28 3nsx n ASP 645 N 4.67 1.00 0.02 -1.70 5.68 -1.26 -4.41 116.55 120.53 3nsx n ASP 645 Ca -0.18 -0.68 0.12 0.00 -0.50 0.00 0.00 54.79 53.55 3nsx n ASP 645 Cb 0.53 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 41.02 3nsx n ASP 645 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3nsx n ASP 646 N -1.37 0.11 0.00 -1.12 5.75 -1.26 -4.88 116.55 113.77 3nsx n ASP 646 Ca 0.00 0.51 0.00 0.00 -0.01 0.00 0.00 54.79 55.29 3nsx n ASP 646 Cb 0.00 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.55 3nsx n ASP 646 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3nsx n GLY 647 N 1.05 0.84 0.55 6.12 0.00 -1.26 -4.77 105.19 107.72 3nsx n GLY 647 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3nsx n GLY 647 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3nsx n ILE 648 N -2.14 0.00 -2.12 -0.61 5.41 -1.26 -0.73 119.36 117.91 3nsx n ILE 648 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3nsx n ILE 648 Cb 0.01 -1.04 0.00 0.00 -0.71 0.00 0.00 39.64 37.89 3nsx n ILE 648 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 3nsx n HIS 649 N -2.77 -0.13 -2.01 1.39 8.25 -1.26 -1.77 115.22 116.93 3nsx n HIS 649 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 3nsx n HIS 649 Cb 0.50 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.68 3nsx n HIS 649 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3nsx n LYS 650 N -0.04 2.69 -2.47 -0.41 5.02 -1.14 -4.67 118.16 117.14 3nsx n LYS 650 Ca 0.00 -3.76 -0.42 0.00 -2.02 0.00 0.00 58.31 52.11 3nsx n LYS 650 Cb 0.00 -1.92 0.01 0.00 -0.02 0.00 0.00 35.03 33.10 3nsx n LYS 650 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3nsx n ASP 651 N -0.76 5.93 0.04 4.39 2.03 -1.26 -4.74 116.55 122.20 3nsx n ASP 651 Ca 0.32 -3.22 -0.07 0.00 0.52 0.00 0.00 54.79 52.34 3nsx n ASP 651 Cb 0.88 -1.39 -0.12 0.00 -0.72 0.00 0.00 41.12 39.77 3nsx n ASP 651 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3nsx h TYR 652 N 5.43 0.00 -1.89 -0.67 0.05 -2.03 -3.39 116.97 114.47 3nsx h TYR 652 Ca 0.39 0.00 -0.78 0.00 0.05 0.00 0.00 58.73 58.39 3nsx h TYR 652 Cb 0.56 0.00 -0.21 0.00 1.01 0.00 0.00 36.73 38.09 3nsx h TYR 652 CO 1.25 0.97 1.54 -0.25 -1.05 0.00 0.00 178.16 180.61 3nsx n ASP 653 N -3.26 7.40 -4.02 3.88 9.92 -1.26 -4.91 116.55 124.30 3nsx n ASP 653 Ca -0.04 -3.45 -0.24 0.00 -0.53 0.00 0.00 54.79 50.53 3nsx n ASP 653 Cb 0.95 -1.26 -0.16 0.00 -0.64 0.00 0.00 41.12 40.01 3nsx n ASP 653 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3nsx s LYS 654 N -2.87 1.62 0.53 -1.24 -0.14 -1.26 -5.02 119.74 111.36 3nsx s LYS 654 Ca 0.43 -0.40 0.18 0.00 -1.36 0.00 0.00 55.97 54.82 3nsx s LYS 654 Cb 0.17 -1.36 1.32 0.00 -1.68 0.00 0.00 37.83 36.29 3nsx s LYS 654 CO -0.09 0.03 2.15 1.57 -0.76 0.00 0.00 175.35 178.25 3nsx h LYS 655 N 6.94 0.00 0.00 1.68 2.10 -1.97 -0.83 116.57 124.49 3nsx h LYS 655 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 3nsx h LYS 655 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3nsx h LYS 655 CO 0.48 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.32 3nsx n GLU 656 N -4.47 0.03 0.01 0.07 4.71 -1.26 -1.95 120.64 117.77 3nsx n GLU 656 Ca -0.02 0.34 0.10 0.00 -0.01 0.00 0.00 57.16 57.57 3nsx n GLU 656 Cb 0.11 -1.56 0.44 0.00 -1.01 0.00 0.00 31.44 29.42 3nsx n GLU 656 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3nsx n ASN 657 N -1.62 0.04 -4.34 1.62 3.02 -0.32 -4.75 115.26 108.93 3nsx n ASN 657 Ca 0.02 0.51 -0.33 0.00 -0.03 0.00 0.00 54.58 54.75 3nsx n ASN 657 Cb 0.13 -0.52 -0.15 0.00 -0.61 0.00 0.00 39.78 38.63 3nsx n ASN 657 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3nsx s TYR 658 N -3.01 2.72 -0.06 3.10 2.02 -0.82 -0.11 117.35 121.19 3nsx s TYR 658 Ca 0.10 -0.71 0.02 0.00 -0.37 0.00 0.00 57.07 56.11 3nsx s TYR 658 Cb 0.13 -1.78 0.01 0.00 -0.40 0.00 0.00 41.96 39.93 3nsx s TYR 658 CO 0.39 -0.23 -0.11 1.03 -1.57 0.00 0.00 175.55 175.06 3nsx s ARG 659 N 0.22 1.50 -0.22 -0.62 0.52 -0.50 -4.97 118.95 114.89 3nsx s ARG 659 Ca -0.11 -0.37 -0.17 0.00 -0.52 0.00 0.00 55.73 54.56 3nsx s ARG 659 Cb -0.16 -1.28 -0.03 0.00 0.52 0.00 0.00 34.95 34.00 3nsx s ARG 659 CO 0.06 0.04 0.47 0.08 0.02 0.00 0.00 175.30 175.97 3nsx s VAL 660 N 0.60 5.13 -0.09 3.52 1.01 -1.26 -0.45 120.40 128.87 3nsx s VAL 660 Ca -0.12 0.84 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 3nsx s VAL 660 Cb -0.15 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3nsx s VAL 660 CO 0.03 0.18 -0.03 -0.76 0.00 0.00 0.00 175.10 174.52 3nsx s LEU 661 N 1.67 3.37 -0.05 3.92 1.43 0.64 -4.97 118.68 124.69 3nsx s LEU 661 Ca 0.21 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 3nsx s LEU 661 Cb -0.15 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.32 3nsx s LEU 661 CO 0.09 0.35 -0.13 0.42 0.23 0.00 0.00 176.35 177.31 3nsx s THR 662 N -0.72 1.14 -2.71 5.49 -4.23 -1.26 -0.19 115.64 113.16 3nsx s THR 662 Ca 0.11 -0.51 0.26 0.00 -1.18 0.00 0.00 61.69 60.37 3nsx s THR 662 Cb -0.11 -1.02 0.40 0.00 1.34 0.00 0.00 72.50 73.10 3nsx s THR 662 CO 0.02 0.35 1.54 1.17 -0.54 0.00 0.00 174.62 177.16