#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 6.91 0.23 6.43 3.84 -1.26 -3.07 114.94 128.03 3nsx s ASN -1 Ca 0.00 2.34 -0.31 0.00 0.21 0.00 0.00 52.86 55.11 3nsx s ASN -1 Cb 0.00 -2.60 -0.14 0.00 -0.55 0.00 0.00 41.25 37.96 3nsx s ASN -1 CO 0.00 -0.53 1.24 0.00 -2.79 0.00 0.00 177.10 175.02 3nsx n ALA 0 N 2.97 0.25 -3.64 1.71 0.00 -1.26 -4.37 120.51 116.17 3nsx n ALA 0 Ca 0.07 0.42 -0.07 0.00 0.00 0.00 0.00 53.44 53.87 3nsx n ALA 0 Cb 0.43 -2.14 -0.07 0.00 0.00 0.00 0.00 19.45 17.67 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 -0.73 0.52 -0.11 0.00 0.00 -1.05 -4.97 119.30 112.96 3nsx s MET 1 Ca 0.67 0.75 0.02 0.00 0.00 0.00 0.00 55.69 57.14 3nsx s MET 1 Cb -0.72 0.18 0.01 0.00 0.00 0.00 0.00 34.83 34.30 3nsx s MET 1 CO 0.53 -0.09 -0.18 0.42 0.00 0.00 0.00 175.02 175.71 3nsx s ILE 2 N 0.88 1.67 0.05 10.11 1.01 -1.26 -0.58 121.20 133.08 3nsx s ILE 2 Ca -0.04 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 59.90 3nsx s ILE 2 Cb -0.04 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 3nsx s ILE 2 CO -0.11 0.48 -0.15 -0.13 0.00 0.00 0.00 174.94 175.03 3nsx s ARG 3 N 0.77 0.95 -0.20 2.79 0.52 -0.49 -4.98 118.95 118.31 3nsx s ARG 3 Ca -0.10 -0.81 -0.00 0.00 -0.52 0.00 0.00 55.73 54.29 3nsx s ARG 3 Cb -0.16 -0.97 0.02 0.00 0.52 0.00 0.00 34.95 34.36 3nsx s ARG 3 CO 0.01 0.24 -0.15 0.21 0.02 0.00 0.00 175.30 175.63 3nsx s LYS 4 N -1.25 3.02 -0.22 3.54 2.20 -1.25 -0.59 119.74 125.19 3nsx s LYS 4 Ca 0.02 -0.83 -0.08 0.00 -0.36 0.00 0.00 55.97 54.72 3nsx s LYS 4 Cb -0.08 -2.72 -0.04 0.00 -1.51 0.00 0.00 37.83 33.48 3nsx s LYS 4 CO 0.01 -0.24 0.07 0.71 -0.36 0.00 0.00 175.35 175.55 3nsx s TYR 5 N 1.32 3.16 -0.16 4.03 2.02 0.11 -0.16 117.35 127.67 3nsx s TYR 5 Ca 0.04 -0.15 -0.06 0.00 -0.37 0.00 0.00 57.07 56.53 3nsx s TYR 5 Cb -0.14 -2.17 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 3nsx s TYR 5 CO -0.10 -0.11 0.04 0.50 -1.57 0.00 0.00 175.55 174.31 3nsx s ARG 6 N 1.05 3.75 -0.09 -0.62 3.52 -1.26 -0.48 118.95 124.82 3nsx s ARG 6 Ca 0.04 -0.38 0.04 0.00 -0.13 0.00 0.00 55.73 55.30 3nsx s ARG 6 Cb -0.14 -3.09 -0.01 0.00 -1.56 0.00 0.00 34.95 30.15 3nsx s ARG 6 CO 0.03 0.35 -0.22 0.71 -0.81 0.00 0.00 175.30 175.37 3nsx s TYR 7 N 0.12 2.58 0.00 5.12 2.02 -0.05 -5.02 117.35 122.13 3nsx s TYR 7 Ca 0.03 -0.88 0.00 0.00 -0.37 0.00 0.00 57.07 55.86 3nsx s TYR 7 Cb -0.13 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 3nsx s TYR 7 CO 0.01 -0.32 0.00 0.41 -1.57 0.00 0.00 175.55 174.08 3nsx n GLY 8 N 3.35 3.09 2.76 0.71 0.00 -1.04 -1.43 105.19 112.63 3nsx n GLY 8 Ca -0.18 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.00 2.79 0.43 4.61 0.00 -1.26 -4.89 121.76 121.45 3nsx s ALA 9 Ca 0.00 -3.11 -0.25 0.00 0.00 0.00 0.00 51.96 48.60 3nsx s ALA 9 Cb 0.00 -1.98 -0.08 0.00 0.00 0.00 0.00 23.12 21.06 3nsx s ALA 9 CO 0.00 -2.05 1.31 -2.14 0.00 0.00 0.00 175.76 172.87 3nsx s PRO 10 N -0.43 3.83 0.17 0.00 0.02 -1.26 -4.83 135.00 132.51 3nsx s PRO 10 Ca 0.23 2.15 -0.30 0.00 0.02 0.00 0.00 61.00 63.09 3nsx s PRO 10 Cb -0.13 -2.66 -0.08 0.00 0.02 0.00 0.00 34.50 31.65 3nsx s PRO 10 CO -0.09 -0.60 1.29 0.12 -0.33 0.00 0.00 177.00 177.39 3nsx s PHE 11 N -1.29 3.30 -0.52 6.54 5.36 -1.26 -4.97 117.98 125.15 3nsx s PHE 11 Ca 0.59 1.23 -0.28 0.00 -0.96 0.00 0.00 56.93 57.52 3nsx s PHE 11 Cb -0.38 -3.56 0.02 0.00 -0.34 0.00 0.00 43.02 38.76 3nsx s PHE 11 CO 0.48 -1.76 1.29 0.34 -1.46 0.00 0.00 175.22 174.11 3nsx s ASP 12 N 0.45 6.37 0.15 6.13 3.68 -1.26 -4.86 116.67 127.34 3nsx s ASP 12 Ca 0.57 0.39 0.24 0.00 2.13 0.00 0.00 52.55 55.89 3nsx s ASP 12 Cb -0.35 -2.55 0.42 0.00 -1.45 0.00 0.00 42.92 38.99 3nsx s ASP 12 CO 0.36 -1.49 1.41 0.71 0.13 0.00 0.00 175.17 176.30 3nsx h THR 13 N 6.31 0.00 -1.03 1.71 1.35 -1.95 -3.47 112.91 115.82 3nsx h THR 13 Ca -0.26 -0.53 -0.34 0.00 -0.55 0.00 0.00 66.41 64.74 3nsx h THR 13 Cb 1.08 1.21 -0.11 0.00 -1.73 0.00 0.00 68.15 68.59 3nsx h THR 13 CO 1.15 0.00 -0.32 -0.62 -0.25 0.00 0.00 175.52 175.47 3nsx n GLU 14 N -2.21 -1.17 -0.22 4.72 1.02 -1.26 -4.90 120.64 116.63 3nsx n GLU 14 Ca 0.04 1.04 -0.04 0.00 -0.02 0.00 0.00 57.16 58.17 3nsx n GLU 14 Cb 0.45 -5.27 0.06 0.00 -0.02 0.00 0.00 31.44 26.66 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 0.13 0.80 -2.63 0.62 0.00 -1.93 -3.43 119.26 112.83 3nsx h ALA 15 Ca -0.35 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 53.98 3nsx h ALA 15 Cb 1.11 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3nsx h ALA 15 CO 0.49 0.13 -0.10 -0.51 0.00 0.00 0.00 179.25 179.26 3nsx s LEU 16 N -10.19 4.39 -0.03 0.00 1.02 -1.26 -4.19 118.68 108.41 3nsx s LEU 16 Ca -0.13 1.08 0.15 0.00 0.02 0.00 0.00 54.13 55.25 3nsx s LEU 16 Cb 0.14 -3.11 -0.21 0.00 0.02 0.00 0.00 46.19 43.04 3nsx s LEU 16 CO 0.76 0.16 0.61 0.35 0.02 0.00 0.00 176.35 178.25 3nsx n THR 17 N 1.08 1.38 -3.29 5.49 -2.24 -0.51 -4.87 114.28 111.32 3nsx n THR 17 Ca -0.07 -0.76 -0.39 0.00 -2.27 0.00 0.00 64.05 60.56 3nsx n THR 17 Cb 0.52 -0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 67.87 3nsx n THR 17 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3nsx s GLU 18 N -2.72 4.24 -0.15 -0.78 2.02 -0.85 -5.04 118.70 115.42 3nsx s GLU 18 Ca -0.05 0.40 -0.29 0.00 0.02 0.00 0.00 54.97 55.05 3nsx s GLU 18 Cb 0.08 -3.51 -0.01 0.00 0.10 0.00 0.00 34.13 30.78 3nsx s GLU 18 CO 0.82 -0.03 1.23 0.21 0.02 0.00 0.00 175.26 177.51 3nsx s LYS 19 N 1.24 4.26 -0.18 1.61 2.47 -1.26 -4.99 119.74 122.89 3nsx s LYS 19 Ca 0.24 1.63 -0.06 0.00 -1.56 0.00 0.00 55.97 56.21 3nsx s LYS 19 Cb -0.15 -3.72 -0.04 0.00 -1.46 0.00 0.00 37.83 32.46 3nsx s LYS 19 CO 0.10 -0.65 0.04 0.42 0.16 0.00 0.00 175.35 175.41 3nsx s ILE 20 N 3.25 4.55 0.56 5.43 -1.09 -1.26 -5.09 121.20 127.55 3nsx s ILE 20 Ca 0.54 -0.12 -0.20 0.00 -2.23 0.00 0.00 60.65 58.64 3nsx s ILE 20 Cb -0.21 -3.04 -0.05 0.00 -1.58 0.00 0.00 42.46 37.58 3nsx s ILE 20 CO 0.15 0.47 1.21 -0.70 -1.23 0.00 0.00 174.94 174.84 3nsx s GLU 21 N 0.38 3.15 -0.01 2.79 2.12 -1.26 -4.87 118.70 121.00 3nsx s GLU 21 Ca 0.01 1.86 -0.30 0.00 0.36 0.00 0.00 54.97 56.90 3nsx s GLU 21 Cb -0.13 -2.05 -0.05 0.00 0.26 0.00 0.00 34.13 32.16 3nsx s GLU 21 CO 0.01 -1.07 1.35 0.99 -0.54 0.00 0.00 175.26 176.00 3nsx s THR 22 N -1.56 3.83 0.16 -1.70 2.01 -1.26 -3.93 115.64 113.19 3nsx s THR 22 Ca 0.74 1.21 -0.28 0.00 0.31 0.00 0.00 61.69 63.67 3nsx s THR 22 Cb -0.31 -3.78 -0.07 0.00 0.01 0.00 0.00 72.50 68.35 3nsx s THR 22 CO 0.35 0.00 0.88 0.00 -0.69 0.00 0.00 174.62 175.16 3nsx s ALA 23 N 2.27 3.35 -1.35 7.40 0.00 0.77 -4.97 121.76 129.24 3nsx s ALA 23 Ca 0.62 0.50 0.12 0.00 0.00 0.00 0.00 51.96 53.19 3nsx s ALA 23 Cb -0.30 -3.13 0.06 0.00 0.00 0.00 0.00 23.12 19.75 3nsx s ALA 23 CO 0.26 0.15 0.81 0.39 0.00 0.00 0.00 175.76 177.37 3nsx n GLU 24 N 2.01 1.22 -1.92 0.00 -0.58 -1.26 -4.68 120.64 115.44 3nsx n GLU 24 Ca -0.02 -1.00 -0.29 0.00 -0.42 0.00 0.00 57.16 55.43 3nsx n GLU 24 Cb 0.48 -1.19 0.10 0.00 -0.57 0.00 0.00 31.44 30.26 3nsx n GLU 24 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 3nsx s GLU 25 N -1.22 1.84 0.40 3.49 1.03 -1.26 -5.00 118.70 117.99 3nsx s GLU 25 Ca 0.12 0.04 -0.26 0.00 0.03 0.00 0.00 54.97 54.90 3nsx s GLU 25 Cb 0.10 -1.95 -0.10 0.00 -0.80 0.00 0.00 34.13 31.37 3nsx s GLU 25 CO 0.21 -1.66 1.26 0.00 -1.33 0.00 0.00 175.26 173.73 3nsx n ALA 26 N -3.34 1.22 -1.80 -0.84 0.00 -1.26 -4.90 120.51 109.58 3nsx n ALA 26 Ca 0.09 0.28 -0.42 0.00 0.00 0.00 0.00 53.44 53.39 3nsx n ALA 26 Cb 0.61 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.78 3nsx n ALA 26 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3nsx s PHE 27 N -1.18 2.93 -0.75 0.00 5.36 -1.26 -4.89 117.98 118.18 3nsx s PHE 27 Ca 0.60 0.55 0.25 0.00 -0.96 0.00 0.00 56.93 57.38 3nsx s PHE 27 Cb -0.52 -4.05 0.63 0.00 -0.34 0.00 0.00 43.02 38.74 3nsx s PHE 27 CO 0.59 -3.82 1.57 -0.35 -1.46 0.00 0.00 175.22 171.75 3nsx n PRO 28 N 3.50 0.22 -4.22 10.12 -0.04 -1.26 -4.84 135.00 138.49 3nsx n PRO 28 Ca 0.13 0.12 -0.18 0.00 -0.04 0.00 0.00 63.50 63.53 3nsx n PRO 28 Cb 0.37 -1.70 -0.12 0.00 -0.04 0.00 0.00 33.50 32.01 3nsx n PRO 28 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3nsx s TYR 29 N -3.11 1.12 0.00 0.54 2.02 -1.26 -5.10 117.35 111.55 3nsx s TYR 29 Ca 0.09 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 3nsx s TYR 29 Cb 0.14 -0.65 0.00 0.00 -0.40 0.00 0.00 41.96 41.05 3nsx s TYR 29 CO 0.65 0.03 0.00 0.41 -1.57 0.00 0.00 175.55 175.07 3nsx n GLY 30 N 1.60 1.33 3.02 0.71 0.00 -1.26 -4.79 105.19 105.81 3nsx n GLY 30 Ca -0.20 -0.54 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 3nsx n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3nsx s GLU 31 N 0.00 0.71 -0.13 1.61 2.02 0.05 -4.98 118.70 117.98 3nsx s GLU 31 Ca 0.00 -0.33 -0.02 0.00 0.02 0.00 0.00 54.97 54.63 3nsx s GLU 31 Cb 0.00 -0.68 -0.03 0.00 0.10 0.00 0.00 34.13 33.52 3nsx s GLU 31 CO 0.00 0.19 -0.06 0.42 0.02 0.00 0.00 175.26 175.83 3nsx s ILE 32 N -0.24 3.75 -0.04 -1.63 -1.09 -1.26 -1.05 121.20 119.64 3nsx s ILE 32 Ca 0.03 -0.42 0.06 0.00 -2.23 0.00 0.00 60.65 58.09 3nsx s ILE 32 Cb -0.04 -2.61 -0.01 0.00 -1.58 0.00 0.00 42.46 38.22 3nsx s ILE 32 CO -0.00 0.52 -0.20 -0.55 -1.23 0.00 0.00 174.94 173.47 3nsx s SER 33 N 0.13 2.46 -0.22 3.58 0.15 0.15 -5.00 113.70 114.95 3nsx s SER 33 Ca -0.02 -0.40 0.12 0.00 0.70 0.00 0.00 55.95 56.35 3nsx s SER 33 Cb -0.14 -0.52 0.43 0.00 -1.71 0.00 0.00 66.02 64.08 3nsx s SER 33 CO 0.03 0.21 1.27 0.00 1.20 0.00 0.00 173.24 175.96 3nsx n GLN 34 N 2.87 1.64 0.00 5.44 6.02 -1.26 -1.15 117.38 130.94 3nsx n GLN 34 Ca -0.17 -3.18 0.00 0.00 -0.01 0.00 0.00 57.00 53.64 3nsx n GLN 34 Cb 0.53 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 30.13 3nsx n GLN 34 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3nsx n LYS 35 N -1.14 0.00 -2.61 -1.09 3.00 -1.26 -4.36 118.16 110.70 3nsx n LYS 35 Ca 0.22 0.24 -0.43 0.00 -0.00 0.00 0.00 58.31 58.34 3nsx n LYS 35 Cb 0.77 -0.86 0.00 0.00 0.00 0.00 0.00 35.03 34.94 3nsx n LYS 35 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3nsx n GLU 36 N -1.21 3.73 0.00 1.64 4.71 -1.26 -4.91 120.64 123.34 3nsx n GLU 36 Ca 0.00 -3.81 0.00 0.00 -0.01 0.00 0.00 57.16 53.34 3nsx n GLU 36 Cb 0.00 -2.85 0.00 0.00 -1.01 0.00 0.00 31.44 27.58 3nsx n GLU 36 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3nsx n GLY 37 N 2.75 1.95 2.97 0.62 0.00 -1.26 -4.78 105.19 107.45 3nsx n GLY 37 Ca 0.36 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 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 0.78 -0.09 1.61 5.36 -0.54 -4.18 117.98 120.93 3nsx s PHE 38 Ca 0.00 -0.18 -0.06 0.00 -0.96 0.00 0.00 56.93 55.73 3nsx s PHE 38 Cb 0.00 -0.56 0.03 0.00 -0.34 0.00 0.00 43.02 42.15 3nsx s PHE 38 CO 0.00 -0.08 0.21 0.00 -1.46 0.00 0.00 175.22 173.89 3nsx s ALA 39 N 0.19 -0.48 -0.17 11.12 0.00 -0.30 -1.63 121.76 130.49 3nsx s ALA 39 Ca -0.03 0.76 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 3nsx s ALA 39 Cb -0.07 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 3nsx s ALA 39 CO 0.00 -0.15 -0.02 0.12 0.00 0.00 0.00 175.76 175.71 3nsx s PHE 40 N 0.75 3.04 -0.06 0.00 5.36 0.35 -0.67 117.98 126.75 3nsx s PHE 40 Ca -0.05 -0.35 0.04 0.00 -0.96 0.00 0.00 56.93 55.61 3nsx s PHE 40 Cb -0.07 -2.01 0.00 0.00 -0.34 0.00 0.00 43.02 40.61 3nsx s PHE 40 CO -0.04 -0.10 -0.17 0.99 -1.46 0.00 0.00 175.22 174.43 3nsx s THR 41 N 0.59 1.48 -0.02 0.12 2.01 -0.21 -0.60 115.64 119.01 3nsx s THR 41 Ca -0.02 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 3nsx s THR 41 Cb -0.14 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 71.10 3nsx s THR 41 CO 0.02 0.43 0.03 -0.47 -0.69 0.00 0.00 174.62 173.94 3nsx s TYR 42 N 0.25 -0.01 -0.30 4.92 6.14 0.20 -0.77 117.35 127.78 3nsx s TYR 42 Ca -0.09 0.11 -0.17 0.00 0.64 0.00 0.00 57.07 57.56 3nsx s TYR 42 Cb -0.14 -0.10 -0.02 0.00 0.42 0.00 0.00 41.96 42.12 3nsx s TYR 42 CO 0.04 -0.05 0.47 0.42 0.64 0.00 0.00 175.55 177.06 3nsx s ILE 43 N 0.51 5.08 0.28 3.14 -1.09 -1.26 -0.39 121.20 127.48 3nsx s ILE 43 Ca -0.04 0.57 -0.20 0.00 -2.23 0.00 0.00 60.65 58.75 3nsx s ILE 43 Cb -0.06 -3.84 -0.09 0.00 -1.58 0.00 0.00 42.46 36.89 3nsx s ILE 43 CO -0.02 -0.01 0.79 -0.04 -1.23 0.00 0.00 174.94 174.43 3nsx s MET 44 N 2.27 4.25 0.55 2.79 -1.94 0.65 -5.00 119.30 122.88 3nsx s MET 44 Ca 0.18 0.93 -0.18 0.00 -1.71 0.00 0.00 55.69 54.91 3nsx s MET 44 Cb -0.16 -2.70 -0.05 0.00 2.01 0.00 0.00 34.83 33.93 3nsx s MET 44 CO 0.11 0.28 1.08 0.34 -0.01 0.00 0.00 175.02 176.82 3nsx s ASP 45 N -1.84 5.83 0.49 3.03 2.15 -1.26 -4.86 116.67 120.20 3nsx s ASP 45 Ca 0.49 2.00 0.20 0.00 0.43 0.00 0.00 52.55 55.67 3nsx s ASP 45 Cb -0.15 -2.56 1.24 0.00 -0.30 0.00 0.00 42.92 41.15 3nsx s ASP 45 CO 0.20 -1.14 1.98 1.05 -0.17 0.00 0.00 175.17 177.09 3nsx h GLU 46 N 0.97 0.17 -0.01 4.34 4.11 -1.97 -1.42 114.58 120.76 3nsx h GLU 46 Ca -0.49 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.93 3nsx h GLU 46 Cb 1.24 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3nsx h GLU 46 CO 0.57 0.12 -0.18 -0.25 0.07 0.00 0.00 179.01 179.33 3nsx n ASP 47 N -4.43 1.53 -4.78 3.06 8.00 -1.26 -4.94 116.55 113.73 3nsx n ASP 47 Ca 0.10 -1.29 -0.41 0.00 0.71 0.00 0.00 54.79 53.91 3nsx n ASP 47 Cb 0.53 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 3nsx n ASP 47 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3nsx s ASP 48 N -2.29 6.24 -0.03 -2.24 1.01 -0.54 -4.86 116.67 113.96 3nsx s ASP 48 Ca 0.28 3.01 0.01 0.00 0.71 0.00 0.00 52.55 56.56 3nsx s ASP 48 Cb 0.20 -2.66 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 3nsx s ASP 48 CO 0.45 -0.94 -0.04 -0.63 0.21 0.00 0.00 175.17 174.23 3nsx s ILE 49 N -1.14 3.93 -0.22 0.77 1.01 0.03 -4.96 121.20 120.62 3nsx s ILE 49 Ca 0.55 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.61 3nsx s ILE 49 Cb -0.46 -2.69 -0.00 0.00 0.01 0.00 0.00 42.46 39.33 3nsx s ILE 49 CO 0.61 0.48 -0.06 -0.69 0.00 0.00 0.00 174.94 175.28 3nsx s VAL 50 N -0.96 3.17 0.26 2.92 1.01 -1.26 -0.53 120.40 125.01 3nsx s VAL 50 Ca 0.16 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.58 3nsx s VAL 50 Cb -0.11 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3nsx s VAL 50 CO 0.06 0.40 0.37 -0.31 0.00 0.00 0.00 175.10 175.62 3nsx s TYR 51 N 1.44 3.34 0.00 5.22 2.02 0.15 -0.49 117.35 129.03 3nsx s TYR 51 Ca 0.05 -0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.67 3nsx s TYR 51 Cb -0.14 -1.65 0.00 0.00 -0.40 0.00 0.00 41.96 39.77 3nsx s TYR 51 CO -0.04 0.35 0.00 0.41 -1.57 0.00 0.00 175.55 174.69 3nsx n GLY 52 N -1.44 0.35 2.75 0.71 0.00 -1.26 -0.67 105.19 105.63 3nsx n GLY 52 Ca -0.07 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 0.62 0.00 0.99 4.77 0.11 -4.87 117.00 118.62 3nsx n LEU 53 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3nsx n LEU 53 Cb 0.00 -1.64 0.00 0.00 -2.33 0.00 0.00 43.42 39.45 3nsx n LEU 53 CO 0.00 -0.58 0.00 0.61 -1.33 0.00 0.00 177.39 176.09 3nsx n GLY 54 N -0.70 3.29 3.56 -0.72 0.00 -1.24 -3.41 105.19 105.96 3nsx n GLY 54 Ca 0.00 0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 3.31 0.18 1.61 2.12 -1.26 -4.20 118.70 120.46 3nsx s GLU 55 Ca 0.00 -0.73 -0.08 0.00 0.36 0.00 0.00 54.97 54.52 3nsx s GLU 55 Cb 0.00 -5.02 -0.01 0.00 0.26 0.00 0.00 34.13 29.36 3nsx s GLU 55 CO 0.00 -2.39 0.28 -1.54 -0.54 0.00 0.00 175.26 171.07 3nsx s SER 56 N 5.31 0.05 0.97 -1.70 1.04 -1.22 -4.36 113.70 113.79 3nsx s SER 56 Ca 0.48 -0.98 -0.13 0.00 0.48 0.00 0.00 55.95 55.80 3nsx s SER 56 Cb -0.03 0.45 0.17 0.00 0.10 0.00 0.00 66.02 66.70 3nsx s SER 56 CO -0.02 -0.92 1.14 0.21 0.98 0.00 0.00 173.24 174.63 3nsx s ASN 57 N -3.01 2.99 0.46 7.02 3.84 -1.26 -4.89 114.94 120.08 3nsx s ASN 57 Ca 0.22 0.92 0.00 0.00 0.21 0.00 0.00 52.86 54.21 3nsx s ASN 57 Cb 0.03 -1.45 0.00 0.00 -0.55 0.00 0.00 41.25 39.29 3nsx s ASN 57 CO 0.04 -2.87 0.00 0.54 -2.79 0.00 0.00 177.10 172.02 3nsx n ARG 58 N -3.97 0.00 -2.64 0.43 1.74 -1.26 -4.97 116.66 105.99 3nsx n ARG 58 Ca 0.07 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 57.00 3nsx n ARG 58 Cb 0.59 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 32.07 3nsx n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3nsx n GLY 59 N 0.00 2.09 0.17 -0.13 0.00 -1.26 -4.81 105.19 101.24 3nsx n GLY 59 Ca 0.00 -2.21 -0.12 0.00 0.00 0.00 0.00 46.02 43.68 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 0.16 1.30 -3.59 -0.61 2.04 -1.89 -3.37 117.51 111.56 3nsx h ILE 60 Ca -0.22 -1.20 -0.57 0.00 1.00 0.00 0.00 64.86 63.88 3nsx h ILE 60 Cb 0.97 1.56 -0.07 0.00 -0.74 0.00 0.00 36.82 38.53 3nsx h ILE 60 CO 0.32 0.37 0.87 0.21 0.00 0.00 0.00 178.15 179.92 3nsx s ASN 61 N -6.19 6.71 0.00 1.72 2.47 -1.26 -4.41 114.94 113.98 3nsx s ASN 61 Ca -0.13 0.62 0.28 0.00 0.42 0.00 0.00 52.86 54.05 3nsx s ASN 61 Cb 0.07 -2.54 1.29 0.00 -1.45 0.00 0.00 41.25 38.62 3nsx s ASN 61 CO 0.78 -1.12 1.92 0.29 -3.72 0.00 0.00 177.10 175.25 3nsx n LYS 62 N 7.48 0.17 -1.65 0.43 4.76 0.36 -4.90 118.16 124.81 3nsx n LYS 62 Ca 0.11 0.02 -0.41 0.00 -2.87 0.00 0.00 58.31 55.17 3nsx n LYS 62 Cb 0.48 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.19 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 -1.41 1.61 0.00 1.97 1.74 -1.26 -3.75 116.66 115.55 3nsx n ARG 63 Ca 0.10 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 3nsx n ARG 63 Cb 0.28 -2.20 0.00 0.00 -1.02 0.00 0.00 32.46 29.52 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 1.01 1.00 2.58 -0.13 0.00 0.92 -5.02 105.19 105.55 3nsx n GLY 64 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 3nsx n GLY 64 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3nsx n TYR 65 N -1.96 -1.59 -4.73 1.61 9.36 -1.09 -4.67 117.16 114.08 3nsx n TYR 65 Ca 0.00 -1.52 -0.33 0.00 3.32 0.00 0.00 57.90 59.37 3nsx n TYR 65 Cb 0.00 0.54 -0.13 0.00 -0.63 0.00 0.00 39.34 39.12 3nsx n TYR 65 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3nsx s TYR 67 N -0.18 1.38 -0.19 0.00 2.02 -0.18 -4.72 117.35 115.49 3nsx s TYR 67 Ca 0.01 -0.48 -0.01 0.00 -0.37 0.00 0.00 57.07 56.22 3nsx s TYR 67 Cb -0.13 -1.01 0.01 0.00 -0.40 0.00 0.00 41.96 40.42 3nsx s TYR 67 CO 0.03 -0.25 -0.14 0.42 -1.57 0.00 0.00 175.55 174.04 3nsx s ILE 68 N 0.60 2.59 -0.50 2.71 1.01 0.57 0.15 121.20 128.33 3nsx s ILE 68 Ca -0.13 -0.77 -0.28 0.00 0.00 0.00 0.00 60.65 59.47 3nsx s ILE 68 Cb -0.15 -2.12 0.01 0.00 0.01 0.00 0.00 42.46 40.22 3nsx s ILE 68 CO 0.03 0.50 1.38 -0.44 0.00 0.00 0.00 174.94 176.41 3nsx s SER 69 N 1.24 6.25 -0.35 3.58 0.01 0.21 -4.22 113.70 120.41 3nsx s SER 69 Ca 0.03 0.48 -0.02 0.00 1.31 0.00 0.00 55.95 57.75 3nsx s SER 69 Cb -0.14 -2.54 0.19 0.00 0.21 0.00 0.00 66.02 63.73 3nsx s SER 69 CO -0.07 -1.57 0.84 0.21 0.41 0.00 0.00 173.24 173.06 3nsx s ASN 70 N 4.05 -0.93 -0.26 2.44 2.47 -1.26 -2.48 114.94 118.96 3nsx s ASN 70 Ca 0.55 -0.31 -0.38 0.00 0.42 0.00 0.00 52.86 53.14 3nsx s ASN 70 Cb -0.11 1.29 -0.14 0.00 -1.45 0.00 0.00 41.25 40.84 3nsx s ASN 70 CO 0.28 -0.12 1.89 0.00 -3.72 0.00 0.00 177.10 175.43 3nsx s THR 72 N 4.59 -0.01 -0.41 0.00 2.01 -0.54 -4.91 115.64 116.36 3nsx s THR 72 Ca 1.00 0.03 -0.12 0.00 0.31 0.00 0.00 61.69 62.91 3nsx s THR 72 Cb -0.95 -0.14 0.05 0.00 0.01 0.00 0.00 72.50 71.46 3nsx s THR 72 CO 0.59 0.01 0.28 -0.62 -0.69 0.00 0.00 174.62 174.19 3nsx s ASP 73 N 0.22 5.88 -0.05 3.53 3.68 -1.26 -3.15 116.67 125.52 3nsx s ASP 73 Ca -0.01 -1.15 -0.03 0.00 2.13 0.00 0.00 52.55 53.48 3nsx s ASP 73 Cb -0.02 -2.08 -0.04 0.00 -1.45 0.00 0.00 42.92 39.33 3nsx s ASP 73 CO -0.01 -0.49 0.11 -1.81 0.13 0.00 0.00 175.17 173.11 3nsx s ASP 74 N 1.92 6.00 0.40 -0.34 1.01 -1.26 -5.02 116.67 119.38 3nsx s ASP 74 Ca 0.03 0.29 0.11 0.00 0.71 0.00 0.00 52.55 53.68 3nsx s ASP 74 Cb -0.21 -1.83 0.91 0.00 1.01 0.00 0.00 42.92 42.80 3nsx s ASP 74 CO 0.06 0.32 1.97 -0.65 0.21 0.00 0.00 175.17 177.08 3nsx h PRO 75 N 4.39 0.53 -3.58 8.23 0.11 -2.02 -3.43 132.00 136.23 3nsx h PRO 75 Ca -0.51 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.35 3nsx h PRO 75 Cb 1.20 -0.12 -0.28 0.00 0.11 0.00 0.00 31.00 31.91 3nsx h PRO 75 CO 0.62 0.35 -0.66 0.96 -0.21 0.00 0.00 178.00 179.06 3nsx s ILE 76 N -5.51 -0.01 -0.84 4.15 -4.36 -1.26 -4.55 121.20 108.82 3nsx s ILE 76 Ca -0.09 0.02 -0.16 0.00 -0.26 0.00 0.00 60.65 60.17 3nsx s ILE 76 Cb 0.20 -0.09 0.18 0.00 1.25 0.00 0.00 42.46 43.99 3nsx s ILE 76 CO 0.76 0.01 0.90 -1.00 0.24 0.00 0.00 174.94 175.85 3nsx s HIS 77 N 0.16 3.45 0.39 1.37 3.76 -1.26 -4.99 115.29 118.17 3nsx s HIS 77 Ca -0.01 -1.67 0.08 0.00 -0.15 0.00 0.00 55.06 53.30 3nsx s HIS 77 Cb -0.02 -4.01 -0.02 0.00 1.11 0.00 0.00 32.58 29.64 3nsx s HIS 77 CO -0.00 -1.21 0.35 0.95 -0.85 0.00 0.00 174.74 173.98 3nsx s THR 78 N 1.34 3.00 0.56 1.30 -4.23 -1.26 -5.02 115.64 111.34 3nsx s THR 78 Ca 0.23 -1.34 0.25 0.00 -1.18 0.00 0.00 61.69 59.65 3nsx s THR 78 Cb -0.09 -3.07 0.34 0.00 1.34 0.00 0.00 72.50 71.02 3nsx s THR 78 CO -0.08 -0.07 2.13 -0.33 -0.54 0.00 0.00 174.62 175.74 3nsx h GLU 79 N 1.09 0.00 -0.00 3.99 5.08 -2.04 -2.45 114.58 120.25 3nsx h GLU 79 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3nsx h GLU 79 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3nsx h GLU 79 CO 0.57 0.00 -0.34 -0.40 -1.00 0.00 0.00 179.01 177.84 3nsx n ASP 80 N -4.08 0.82 -4.76 1.42 5.75 -1.26 -4.88 116.55 109.56 3nsx n ASP 80 Ca 0.01 -0.65 -0.41 0.00 -0.01 0.00 0.00 54.79 53.73 3nsx n ASP 80 Cb 0.25 0.17 -0.02 0.00 -1.03 0.00 0.00 41.12 40.49 3nsx n ASP 80 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3nsx s LYS 81 N -2.68 4.26 -0.00 0.11 -0.14 -0.92 -4.91 119.74 115.45 3nsx s LYS 81 Ca 0.20 2.33 0.18 0.00 -1.36 0.00 0.00 55.97 57.32 3nsx s LYS 81 Cb 0.19 -3.08 -0.21 0.00 -1.68 0.00 0.00 37.83 33.05 3nsx s LYS 81 CO 0.58 -0.39 0.74 0.54 -0.76 0.00 0.00 175.35 176.07 3nsx n ARG 82 N 1.72 0.96 -3.75 1.68 1.74 -1.26 -4.80 116.66 112.95 3nsx n ARG 82 Ca 0.04 -0.01 -0.15 0.00 -0.77 0.00 0.00 57.85 56.96 3nsx n ARG 82 Cb 0.40 -1.37 -0.15 0.00 -1.02 0.00 0.00 32.46 30.32 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 -2.84 0.12 0.00 0.55 0.01 -1.26 -0.31 113.70 109.97 3nsx s SER 83 Ca 0.06 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.49 3nsx s SER 83 Cb 0.14 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.43 3nsx s SER 83 CO 0.75 -0.16 0.00 0.18 0.41 0.00 0.00 173.24 174.42 3nsx n LEU 84 N 4.37 0.00 0.24 2.44 4.77 -1.26 -4.73 117.00 122.83 3nsx n LEU 84 Ca -0.24 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 55.89 3nsx n LEU 84 Cb 0.51 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 42.00 3nsx n LEU 84 CO 0.18 0.00 0.89 1.88 -1.33 0.00 0.00 177.39 179.01 3nsx h TYR 85 N 0.00 0.00 -3.74 -1.77 0.05 -1.84 -1.45 116.97 108.23 3nsx h TYR 85 Ca 0.00 0.00 -0.68 0.00 0.05 0.00 0.00 58.73 58.10 3nsx h TYR 85 Cb 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 37.55 3nsx h TYR 85 CO 0.00 0.00 -0.77 0.20 -1.05 0.00 0.00 178.16 176.54 3nsx s GLY 86 N -4.18 1.69 -0.38 3.88 0.00 -1.26 -3.40 107.32 103.67 3nsx s GLY 86 Ca 0.04 -1.22 0.04 0.00 0.00 0.00 0.00 44.72 43.59 3nsx s GLY 86 CO 0.61 -1.15 0.10 0.00 0.00 0.00 0.00 173.10 172.66 3nsx s ALA 87 N -1.07 2.95 -0.48 3.20 0.00 -0.42 -4.68 121.76 121.26 3nsx s ALA 87 Ca 0.18 -2.69 0.03 0.00 0.00 0.00 0.00 51.96 49.49 3nsx s ALA 87 Cb -0.11 -2.00 0.13 0.00 0.00 0.00 0.00 23.12 21.14 3nsx s ALA 87 CO 0.09 -1.77 0.23 -1.01 0.00 0.00 0.00 175.76 173.31 3nsx s HIS 88 N 0.64 2.95 -0.33 0.00 3.76 -1.26 -3.75 115.29 117.31 3nsx s HIS 88 Ca 0.12 -2.97 -0.01 0.00 -0.15 0.00 0.00 55.06 52.05 3nsx s HIS 88 Cb -0.21 -2.61 0.20 0.00 1.11 0.00 0.00 32.58 31.07 3nsx s HIS 88 CO -0.07 -0.77 2.09 0.09 -0.85 0.00 0.00 174.74 175.23 3nsx n ASN 89 N 3.34 6.47 -4.29 1.40 3.02 -1.26 -3.83 115.26 120.10 3nsx n ASN 89 Ca 0.05 -3.07 -0.34 0.00 -0.03 0.00 0.00 54.58 51.20 3nsx n ASN 89 Cb 0.34 -1.07 -0.15 0.00 -0.61 0.00 0.00 39.78 38.28 3nsx n ASN 89 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3nsx s PHE 90 N -1.79 2.85 0.11 3.10 5.36 -1.26 -1.32 117.98 125.03 3nsx s PHE 90 Ca 0.33 -0.97 0.05 0.00 -0.96 0.00 0.00 56.93 55.38 3nsx s PHE 90 Cb 0.25 -1.95 -0.04 0.00 -0.34 0.00 0.00 43.02 40.95 3nsx s PHE 90 CO -0.02 -0.47 -0.13 0.96 -1.46 0.00 0.00 175.22 174.10 3nsx s ILE 91 N 0.95 1.23 -0.10 3.12 -4.36 -0.24 -0.72 121.20 121.09 3nsx s ILE 91 Ca -0.02 -1.68 -0.00 0.00 -0.26 0.00 0.00 60.65 58.68 3nsx s ILE 91 Cb -0.15 -1.47 0.02 0.00 1.25 0.00 0.00 42.46 42.11 3nsx s ILE 91 CO -0.01 -0.44 -0.07 -0.63 0.24 0.00 0.00 174.94 174.03 3nsx s ILE 92 N -2.17 0.94 -0.15 8.37 1.09 0.15 -0.64 121.20 128.79 3nsx s ILE 92 Ca 0.08 -0.24 -0.24 0.00 -1.10 0.00 0.00 60.65 59.15 3nsx s ILE 92 Cb -0.05 -0.97 -0.02 0.00 -1.06 0.00 0.00 42.46 40.36 3nsx s ILE 92 CO 0.02 0.35 0.74 -0.69 -0.10 0.00 0.00 174.94 175.27 3nsx s VAL 93 N 1.66 4.96 -0.15 2.92 1.01 0.01 -0.67 120.40 130.13 3nsx s VAL 93 Ca 0.03 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.48 3nsx s VAL 93 Cb -0.13 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.22 3nsx s VAL 93 CO -0.07 0.11 -0.11 -0.55 0.00 0.00 0.00 175.10 174.48 3nsx s SER 94 N 1.08 2.76 0.00 3.32 0.15 0.31 -1.53 113.70 119.79 3nsx s SER 94 Ca 0.35 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.44 3nsx s SER 94 Cb -0.17 -1.09 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 3nsx s SER 94 CO 0.13 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.08 3nsx n GLY 95 N 4.80 -0.92 0.26 9.45 0.00 -1.26 -0.79 105.19 116.74 3nsx n GLY 95 Ca -0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 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 0.79 -5.04 1.61 1.57 -1.96 -3.36 116.57 110.18 3nsx h LYS 96 Ca 0.00 -0.05 -0.65 0.00 -1.87 0.00 0.00 60.65 58.08 3nsx h LYS 96 Cb 0.00 -0.18 -0.23 0.00 0.08 0.00 0.00 32.23 31.90 3nsx h LYS 96 CO 0.00 0.52 -0.66 0.99 -0.57 0.00 0.00 179.45 179.74 3nsx s THR 97 N -6.13 4.01 -0.06 -0.16 2.01 -1.26 -5.10 115.64 108.95 3nsx s THR 97 Ca -0.13 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 61.62 3nsx s THR 97 Cb 0.15 -2.84 0.00 0.00 0.01 0.00 0.00 72.50 69.82 3nsx s THR 97 CO 0.76 0.39 -0.17 -0.89 -0.69 0.00 0.00 174.62 174.03 3nsx s THR 98 N 1.30 1.44 0.00 -0.82 2.01 -1.26 -4.41 115.64 113.89 3nsx s THR 98 Ca 0.04 -0.68 -0.28 0.00 0.31 0.00 0.00 61.69 61.08 3nsx s THR 98 Cb -0.15 -1.26 0.09 0.00 0.01 0.00 0.00 72.50 71.20 3nsx s THR 98 CO 0.02 0.42 0.81 0.72 -0.69 0.00 0.00 174.62 175.89 3nsx s PHE 99 N 0.33 -0.44 0.13 4.92 -0.12 -0.58 -4.66 117.98 117.55 3nsx s PHE 99 Ca -0.11 0.45 0.06 0.00 -0.05 0.00 0.00 56.93 57.28 3nsx s PHE 99 Cb -0.14 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 3nsx s PHE 99 CO 0.04 -0.59 0.02 0.20 -0.05 0.00 0.00 175.22 174.84 3nsx s GLY 100 N -2.12 1.82 -0.04 1.99 0.00 0.23 -0.81 107.32 108.38 3nsx s GLY 100 Ca 0.01 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 43.52 3nsx s GLY 100 CO -0.05 -1.22 -0.04 1.08 0.00 0.00 0.00 173.10 172.87 3nsx s LEU 101 N -2.65 1.31 -0.21 0.66 1.43 0.18 -0.80 118.68 118.61 3nsx s LEU 101 Ca 0.27 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.23 3nsx s LEU 101 Cb -0.11 -0.43 0.00 0.00 0.03 0.00 0.00 46.19 45.69 3nsx s LEU 101 CO 0.19 -0.06 -0.10 0.12 0.23 0.00 0.00 176.35 176.74 3nsx s PHE 102 N 0.93 2.91 -0.58 0.29 5.36 -0.35 -1.08 117.98 125.46 3nsx s PHE 102 Ca -0.11 -1.23 -0.19 0.00 -0.96 0.00 0.00 56.93 54.44 3nsx s PHE 102 Cb -0.14 -2.04 0.10 0.00 -0.34 0.00 0.00 43.02 40.60 3nsx s PHE 102 CO -0.00 -0.65 0.68 -0.06 -1.46 0.00 0.00 175.22 173.73 3nsx s PHE 103 N 1.40 3.03 -0.83 10.12 0.08 -0.44 -1.07 117.98 130.28 3nsx s PHE 103 Ca 0.05 -0.98 -0.20 0.00 0.12 0.00 0.00 56.93 55.92 3nsx s PHE 103 Cb -0.14 -3.97 0.11 0.00 -0.57 0.00 0.00 43.02 38.45 3nsx s PHE 103 CO -0.07 -1.26 1.05 0.34 -0.10 0.00 0.00 175.22 175.19 3nsx s ASP 104 N 3.59 6.46 -0.19 1.36 2.15 0.15 -4.73 116.67 125.47 3nsx s ASP 104 Ca 0.11 -1.68 -0.13 0.00 0.43 0.00 0.00 52.55 51.28 3nsx s ASP 104 Cb -0.25 -2.40 0.06 0.00 -0.30 0.00 0.00 42.92 40.03 3nsx s ASP 104 CO 0.06 -1.19 0.47 -0.47 -0.17 0.00 0.00 175.17 173.87 3nsx s TYR 105 N 3.13 -0.63 -2.46 -5.34 5.04 -1.26 -2.62 117.35 113.20 3nsx s TYR 105 Ca 0.28 1.38 0.23 0.00 -2.44 0.00 0.00 57.07 56.52 3nsx s TYR 105 Cb -0.10 0.28 0.48 0.00 0.35 0.00 0.00 41.96 42.98 3nsx s TYR 105 CO -0.02 -0.33 1.43 -0.35 -1.34 0.00 0.00 175.55 174.93 3nsx n PRO 106 N 3.75 2.34 -1.68 4.97 -0.04 -1.26 -4.95 135.00 138.13 3nsx n PRO 106 Ca -0.19 -2.01 0.00 0.00 -0.04 0.00 0.00 63.50 61.25 3nsx n PRO 106 Cb 0.56 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 1.24 1.87 -4.64 3.54 2.88 -1.26 -2.05 113.62 115.19 3nsx n SER 107 Ca 0.18 -0.84 -0.42 0.00 -1.33 0.00 0.00 58.87 56.46 3nsx n SER 107 Cb 0.55 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 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 0.00 2.66 -4.29 -1.46 4.81 -1.26 -4.85 118.16 113.77 3nsx n LYS 108 Ca 0.00 0.93 -0.30 0.00 -0.87 0.00 0.00 58.31 58.07 3nsx n LYS 108 Cb 0.00 -3.08 -0.17 0.00 0.02 0.00 0.00 35.03 31.81 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 5.46 1.74 -0.25 3.14 2.96 -1.03 -4.51 118.68 126.18 3nsx s LEU 109 Ca 0.92 -0.47 -0.10 0.00 -0.22 0.00 0.00 54.13 54.26 3nsx s LEU 109 Cb -0.41 -1.16 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 3nsx s LEU 109 CO 0.40 -0.01 0.15 -0.89 -1.32 0.00 0.00 176.35 174.68 3nsx s THR 110 N 1.19 5.07 -0.46 3.68 2.01 0.01 -0.62 115.64 126.51 3nsx s THR 110 Ca -0.02 0.08 -0.10 0.00 0.31 0.00 0.00 61.69 61.97 3nsx s THR 110 Cb -0.14 -3.38 0.11 0.00 0.01 0.00 0.00 72.50 69.09 3nsx s THR 110 CO -0.06 0.31 0.34 -0.36 -0.69 0.00 0.00 174.62 174.17 3nsx s PHE 111 N 1.43 3.37 -0.79 4.92 0.08 0.12 -1.04 117.98 126.07 3nsx s PHE 111 Ca 0.07 -1.66 -0.19 0.00 0.12 0.00 0.00 56.93 55.27 3nsx s PHE 111 Cb -0.15 -3.36 0.13 0.00 -0.57 0.00 0.00 43.02 39.07 3nsx s PHE 111 CO 0.07 -0.95 0.95 0.34 -0.10 0.00 0.00 175.22 175.54 3nsx s ASP 112 N 2.62 6.47 -1.07 1.36 -1.08 0.52 -1.01 116.67 124.49 3nsx s ASP 112 Ca 0.05 -1.82 -0.07 0.00 -0.52 0.00 0.00 52.55 50.18 3nsx s ASP 112 Cb -0.26 -2.35 0.27 0.00 -1.46 0.00 0.00 42.92 39.12 3nsx s ASP 112 CO 0.01 -1.07 1.05 -0.38 0.52 0.00 0.00 175.17 175.30 3nsx n ILE 113 N 5.36 4.24 -1.19 4.11 5.41 -0.55 -0.86 119.36 135.89 3nsx n ILE 113 Ca 0.10 -5.34 -0.06 0.00 1.00 0.00 0.00 62.75 58.44 3nsx n ILE 113 Cb 0.47 -2.53 -0.03 0.00 -0.71 0.00 0.00 39.64 36.84 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 2.54 0.85 0.08 7.39 0.00 -0.37 -0.06 105.19 115.62 3nsx n GLY 114 Ca 0.24 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.04 1.61 3.20 -1.79 -3.30 116.97 116.58 3nsx h TYR 115 Ca -0.13 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.61 3nsx h TYR 115 Cb 0.54 0.02 0.01 0.00 1.54 0.00 0.00 36.73 38.84 3nsx h TYR 115 CO 0.26 0.57 -0.45 1.15 -1.64 0.00 0.00 178.16 178.04 3nsx h THR 116 N -0.86 1.43 -3.43 1.81 2.02 -1.90 -3.44 112.91 108.55 3nsx h THR 116 Ca -0.01 -1.91 -0.38 0.00 0.77 0.00 0.00 66.41 64.89 3nsx h THR 116 Cb 0.66 2.46 -0.35 0.00 -1.74 0.00 0.00 68.15 69.17 3nsx h THR 116 CO 0.01 0.55 -0.76 -0.13 0.37 0.00 0.00 175.52 175.57 3nsx s ARG 117 N -3.42 0.46 0.36 6.66 0.52 -1.26 -5.05 118.95 117.21 3nsx s ARG 117 Ca -0.14 0.06 0.09 0.00 -0.52 0.00 0.00 55.73 55.22 3nsx s ARG 117 Cb 0.04 -0.67 0.82 0.00 0.52 0.00 0.00 34.95 35.66 3nsx s ARG 117 CO 0.80 -0.17 1.87 1.98 0.02 0.00 0.00 175.30 179.80 3nsx h MET 118 N 7.53 0.67 -0.10 3.54 1.85 -1.86 -1.14 114.93 125.43 3nsx h MET 118 Ca -0.35 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 58.70 3nsx h MET 118 Cb 1.14 -0.15 0.00 0.00 0.43 0.00 0.00 31.60 33.01 3nsx h MET 118 CO 0.41 0.44 0.00 -0.40 -0.40 0.00 0.00 176.91 176.96 3nsx n ASP 119 N -4.55 1.43 -4.26 1.39 5.68 -1.26 -4.45 116.55 110.52 3nsx n ASP 119 Ca 0.17 -1.59 -0.33 0.00 -0.50 0.00 0.00 54.79 52.54 3nsx n ASP 119 Cb 0.46 -0.06 -0.15 0.00 -1.14 0.00 0.00 41.12 40.23 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 -1.88 2.71 -0.25 2.12 2.01 -0.43 -0.25 115.64 119.66 3nsx s THR 120 Ca 0.35 -0.75 -0.13 0.00 0.31 0.00 0.00 61.69 61.47 3nsx s THR 120 Cb 0.18 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.49 3nsx s THR 120 CO 0.29 0.51 0.26 -0.22 -0.69 0.00 0.00 174.62 174.76 3nsx s LEU 121 N 0.93 4.07 -0.08 4.42 2.96 0.48 -1.24 118.68 130.21 3nsx s LEU 121 Ca -0.03 0.18 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 3nsx s LEU 121 Cb -0.15 -2.25 0.02 0.00 0.50 0.00 0.00 46.19 44.32 3nsx s LEU 121 CO -0.02 -0.05 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.15 3nsx s LYS 122 N 1.57 1.24 -0.17 1.98 2.20 -0.04 -0.63 119.74 125.90 3nsx s LYS 122 Ca 0.11 -0.18 -0.00 0.00 -0.36 0.00 0.00 55.97 55.54 3nsx s LYS 122 Cb -0.15 -1.28 0.00 0.00 -1.51 0.00 0.00 37.83 34.89 3nsx s LYS 122 CO 0.08 -0.18 -0.15 0.08 -0.36 0.00 0.00 175.35 174.82 3nsx s VAL 123 N 1.40 2.64 0.04 4.02 1.01 0.24 -0.35 120.40 129.40 3nsx s VAL 123 Ca -0.02 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 3nsx s VAL 123 Cb -0.13 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3nsx s VAL 123 CO -0.04 0.51 -0.02 -0.94 0.00 0.00 0.00 175.10 174.62 3nsx s SER 124 N 0.95 0.34 0.25 3.32 1.04 -0.21 -0.50 113.70 118.90 3nsx s SER 124 Ca -0.03 -0.72 -0.17 0.00 0.48 0.00 0.00 55.95 55.51 3nsx s SER 124 Cb -0.15 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.14 3nsx s SER 124 CO -0.02 -0.45 0.57 0.00 0.98 0.00 0.00 173.24 174.32 3nsx h GLU 126 N 2.15 0.00 -4.30 0.00 4.81 -1.87 -1.42 114.58 113.96 3nsx h GLU 126 Ca -0.24 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.65 3nsx h GLU 126 Cb 1.25 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 30.34 3nsx h GLU 126 CO 0.31 0.60 -0.76 0.54 -0.73 0.00 0.00 179.01 178.97 3nsx s ASN 127 N -6.76 0.68 -1.53 1.04 6.03 -1.26 -4.17 114.94 108.97 3nsx s ASN 127 Ca -0.01 -0.10 -0.09 0.00 -1.03 0.00 0.00 52.86 51.63 3nsx s ASN 127 Cb 0.12 -0.12 -0.02 0.00 -3.03 0.00 0.00 41.25 38.21 3nsx s ASN 127 CO 0.75 0.05 2.72 0.00 -2.03 0.00 0.00 177.10 178.59 3nsx n ALA 128 N 3.10 7.12 -3.80 3.54 0.00 -1.26 -4.64 120.51 124.58 3nsx n ALA 128 Ca -0.15 -3.73 -0.30 0.00 0.00 0.00 0.00 53.44 49.27 3nsx n ALA 128 Cb 0.57 -3.23 -0.14 0.00 0.00 0.00 0.00 19.45 16.65 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 1.77 3.96 0.08 0.00 1.01 -1.25 -2.50 116.67 119.74 3nsx s ASP 129 Ca 0.63 -2.51 -0.26 0.00 0.71 0.00 0.00 52.55 51.11 3nsx s ASP 129 Cb 0.17 -1.20 0.08 0.00 1.01 0.00 0.00 42.92 42.99 3nsx s ASP 129 CO -0.07 -0.29 0.80 -1.48 0.21 0.00 0.00 175.17 174.34 3nsx s LEU 130 N 0.46 -0.40 -0.11 1.23 2.34 -0.52 -4.51 118.68 117.17 3nsx s LEU 130 Ca 0.16 -0.09 -0.03 0.00 0.06 0.00 0.00 54.13 54.23 3nsx s LEU 130 Cb -0.23 2.26 -0.03 0.00 -0.56 0.00 0.00 46.19 47.62 3nsx s LEU 130 CO -0.04 -0.81 -0.01 -1.81 -1.06 0.00 0.00 176.35 172.62 3nsx s ASP 131 N -2.65 5.10 -0.23 1.48 1.01 -1.08 -0.87 116.67 119.44 3nsx s ASP 131 Ca 0.05 0.05 -0.01 0.00 0.71 0.00 0.00 52.55 53.35 3nsx s ASP 131 Cb -0.01 -1.56 0.02 0.00 1.01 0.00 0.00 42.92 42.37 3nsx s ASP 131 CO -0.08 0.31 -0.09 -0.63 0.21 0.00 0.00 175.17 174.89 3nsx s ILE 132 N -0.45 2.78 -0.17 0.77 1.01 0.37 -0.67 121.20 124.84 3nsx s ILE 132 Ca 0.08 -0.92 -0.18 0.00 0.00 0.00 0.00 60.65 59.63 3nsx s ILE 132 Cb -0.12 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 3nsx s ILE 132 CO 0.02 0.30 0.48 -0.31 0.00 0.00 0.00 174.94 175.43 3nsx s TYR 133 N 1.34 3.43 -0.20 3.97 2.02 -0.23 -0.72 117.35 126.96 3nsx s TYR 133 Ca 0.02 0.79 -0.07 0.00 -0.37 0.00 0.00 57.07 57.44 3nsx s TYR 133 Cb -0.16 -2.59 -0.04 0.00 -0.40 0.00 0.00 41.96 38.78 3nsx s TYR 133 CO -0.06 0.02 0.05 0.08 -1.57 0.00 0.00 175.55 174.07 3nsx s VAL 134 N 1.17 4.52 -0.18 0.71 1.01 0.24 -1.22 120.40 126.66 3nsx s VAL 134 Ca 0.24 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 3nsx s VAL 134 Cb -0.15 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.18 3nsx s VAL 134 CO 0.09 0.43 -0.15 -0.63 0.00 0.00 0.00 175.10 174.84 3nsx s ILE 135 N 0.73 2.51 0.12 2.22 1.01 0.02 -1.40 121.20 126.41 3nsx s ILE 135 Ca 0.03 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 59.93 3nsx s ILE 135 Cb -0.14 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 3nsx s ILE 135 CO 0.02 0.51 0.03 -1.61 0.00 0.00 0.00 174.94 173.89 3nsx s GLU 136 N 1.17 2.60 0.03 2.79 2.02 0.26 -0.60 118.70 126.96 3nsx s GLU 136 Ca 0.01 -0.88 -0.18 0.00 0.02 0.00 0.00 54.97 53.95 3nsx s GLU 136 Cb -0.14 -2.54 0.06 0.00 0.10 0.00 0.00 34.13 31.61 3nsx s GLU 136 CO -0.07 0.52 0.82 0.41 0.02 0.00 0.00 175.26 176.96 3nsx n GLY 137 N 0.29 0.50 0.35 -1.39 0.00 -1.26 -2.53 105.19 101.15 3nsx n GLY 137 Ca -0.10 -1.01 -0.03 0.00 0.00 0.00 0.00 46.02 44.88 3nsx n GLY 137 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3nsx h GLU 138 N 0.00 1.12 -2.74 1.61 4.81 -1.90 -2.24 114.58 115.25 3nsx h GLU 138 Ca -0.16 -0.13 0.08 0.00 -0.13 0.00 0.00 59.36 59.03 3nsx h GLU 138 Cb 0.80 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 3nsx h GLU 138 CO 0.22 0.83 0.46 0.54 -0.73 0.00 0.00 179.01 180.33 3nsx s ASN 139 N -6.33 0.01 0.22 1.04 2.20 -1.26 -4.53 114.94 106.30 3nsx s ASN 139 Ca -0.12 -0.89 -0.07 0.00 -0.94 0.00 0.00 52.86 50.84 3nsx s ASN 139 Cb 0.17 0.65 0.31 0.00 -2.00 0.00 0.00 41.25 40.38 3nsx s ASN 139 CO 0.81 -1.30 1.79 0.00 -2.94 0.00 0.00 177.10 175.46 3nsx h ALA 140 N 2.00 0.96 -0.56 3.54 0.00 -1.92 -1.78 119.26 121.49 3nsx h ALA 140 Ca -0.30 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3nsx h ALA 140 Cb 1.23 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3nsx h ALA 140 CO 0.39 -0.03 0.16 -0.92 0.00 0.00 0.00 179.25 178.84 3nsx h TYR 141 N 0.62 0.93 -0.83 0.00 3.20 -1.94 -0.37 116.97 118.58 3nsx h TYR 141 Ca 0.34 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 62.10 3nsx h TYR 141 Cb 0.32 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 3nsx h TYR 141 CO -0.10 0.79 0.53 0.22 -1.64 0.00 0.00 178.16 177.96 3nsx h ASP 142 N 0.80 0.98 -0.55 -2.11 3.58 -1.88 -1.01 116.42 116.23 3nsx h ASP 142 Ca 0.18 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 3nsx h ASP 142 Cb 0.32 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.09 3nsx h ASP 142 CO -0.00 0.74 0.27 0.40 -2.88 0.00 0.00 179.24 177.76 3nsx h ILE 143 N 1.14 1.20 -0.56 2.25 2.04 -0.81 -1.63 117.51 121.13 3nsx h ILE 143 Ca 0.30 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 3nsx h ILE 143 Cb -0.08 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 3nsx h ILE 143 CO -0.06 0.23 0.34 0.58 0.00 0.00 0.00 178.15 179.24 3nsx h VAL 144 N 0.74 1.17 -0.35 1.67 2.07 -0.70 -1.88 116.25 118.97 3nsx h VAL 144 Ca 0.19 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 3nsx h VAL 144 Cb 0.11 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3nsx h VAL 144 CO -0.02 0.17 -0.01 0.11 0.02 0.00 0.00 177.57 177.84 3nsx h LYS 145 N 0.76 0.55 -0.58 1.57 1.57 -0.92 0.71 116.57 120.23 3nsx h LYS 145 Ca 0.20 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 3nsx h LYS 145 Cb -0.02 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3nsx h LYS 145 CO -0.04 0.58 0.08 1.96 -0.57 0.00 0.00 179.45 181.46 3nsx h GLN 146 N 0.52 0.97 -0.47 3.15 4.20 -0.94 -2.21 115.11 120.34 3nsx h GLN 146 Ca 0.11 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 3nsx h GLN 146 Cb 0.36 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 3nsx h GLN 146 CO 0.01 0.93 0.05 0.35 -0.67 0.00 0.00 178.83 179.50 3nsx h PHE 147 N 0.87 0.87 -0.58 2.96 3.57 -0.53 -2.61 116.94 121.48 3nsx h PHE 147 Ca 0.17 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.58 3nsx h PHE 147 Cb 0.44 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3nsx h PHE 147 CO 0.03 0.82 0.39 0.00 -2.23 0.00 0.00 178.31 177.31 3nsx h ARG 148 N 0.67 0.62 -0.17 1.11 2.47 -0.76 -1.77 114.38 116.55 3nsx h ARG 148 Ca 0.14 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.82 3nsx h ARG 148 Cb 0.44 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 3nsx h ARG 148 CO 0.02 0.41 0.10 0.00 0.56 0.00 0.00 179.97 181.05 3nsx h ARG 149 N 0.64 0.23 0.00 0.04 -0.00 -1.03 -3.22 114.38 111.05 3nsx h ARG 149 Ca 0.24 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.69 3nsx h ARG 149 Cb 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.07 3nsx h ARG 149 CO -0.07 0.22 -0.04 -0.39 0.00 0.00 0.00 179.97 179.70 3nsx h VAL 150 N 0.18 0.00 -0.01 2.04 -1.51 -1.12 -3.02 116.25 112.81 3nsx h VAL 150 Ca 0.06 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 3nsx h VAL 150 Cb 0.05 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 3nsx h VAL 150 CO -0.01 0.00 -0.07 2.30 -1.23 0.00 0.00 177.57 178.56 3nsx n ILE 151 N -2.82 0.00 0.00 7.19 -5.35 -0.83 -1.42 119.36 116.13 3nsx n ILE 151 Ca 0.04 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 3nsx n ILE 151 Cb 0.50 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.79 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 1.22 -0.89 3.65 3.28 0.00 -1.14 -4.28 105.19 107.02 3nsx n GLY 152 Ca 0.17 -1.51 -0.47 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.28 1.82 -2.00 1.61 0.63 -1.26 -4.86 116.66 112.32 3nsx n ARG 153 Ca 0.00 0.65 -0.37 0.00 -0.92 0.00 0.00 57.85 57.21 3nsx n ARG 153 Cb 0.00 -2.32 0.03 0.00 0.45 0.00 0.00 32.46 30.62 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 5.41 0.21 6.15 0.01 -1.26 -4.43 113.70 120.27 3nsx s SER 154 Ca 0.75 2.48 -0.30 0.00 1.31 0.00 0.00 55.95 60.18 3nsx s SER 154 Cb -0.73 -2.61 -0.16 0.00 0.21 0.00 0.00 66.02 62.73 3nsx s SER 154 CO 0.46 -1.45 0.94 0.00 0.41 0.00 0.00 173.24 173.59 3nsx n TYR 155 N -1.21 0.80 -4.33 2.43 9.36 0.81 -4.92 117.16 120.10 3nsx n TYR 155 Ca 0.11 0.78 -0.31 0.00 3.32 0.00 0.00 57.90 61.81 3nsx n TYR 155 Cb 0.48 -2.18 -0.16 0.00 -0.63 0.00 0.00 39.34 36.85 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 -0.71 1.74 0.61 2.97 1.01 -1.26 -4.71 121.20 120.85 3nsx s ILE 156 Ca 0.66 -0.76 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 3nsx s ILE 156 Cb -0.84 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 3nsx s ILE 156 CO 0.56 0.49 0.99 -2.16 0.00 0.00 0.00 174.94 174.82 3nsx s PRO 157 N 1.14 3.37 0.72 2.79 0.04 -1.26 -4.79 135.00 137.01 3nsx s PRO 157 Ca -0.02 0.53 -0.14 0.00 0.04 0.00 0.00 61.00 61.42 3nsx s PRO 157 Cb -0.14 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.30 3nsx s PRO 157 CO -0.06 -0.62 1.16 -1.25 0.04 0.00 0.00 177.00 176.26 3nsx s PRO 158 N -5.13 2.31 0.45 0.56 0.04 -1.26 -4.93 135.00 127.03 3nsx s PRO 158 Ca 0.54 1.55 0.13 0.00 0.04 0.00 0.00 61.00 63.26 3nsx s PRO 158 Cb -0.11 -1.87 1.02 0.00 0.04 0.00 0.00 34.50 33.57 3nsx s PRO 158 CO 0.51 -1.66 2.03 -0.22 0.04 0.00 0.00 177.00 177.71 3nsx h LYS 159 N -0.36 0.14 -0.03 4.56 3.64 -1.27 -1.48 116.57 121.76 3nsx h LYS 159 Ca -0.47 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 58.91 3nsx h LYS 159 Cb 1.27 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3nsx h LYS 159 CO 0.51 0.19 0.04 0.27 -2.27 0.00 0.00 179.45 178.19 3nsx h PHE 160 N 0.13 0.00 0.00 1.91 -5.15 -1.92 0.03 116.94 111.94 3nsx h PHE 160 Ca 0.03 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.80 3nsx h PHE 160 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.34 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 -2.29 1.94 0.95 12.09 0.00 -0.56 -1.31 120.51 131.34 3nsx n ALA 161 Ca -0.02 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.43 3nsx n ALA 161 Cb 0.13 -1.29 0.29 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.34 0.36 -0.54 0.00 3.72 -0.00 -4.71 117.46 114.95 3nsx n PHE 162 Ca 0.08 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3nsx n PHE 162 Cb 0.16 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 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 1.17 -0.93 3.80 1.37 0.00 -0.42 -4.92 105.19 105.26 3nsx n GLY 163 Ca 0.16 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.50 3.32 0.18 1.61 5.36 -1.26 -4.50 117.98 122.19 3nsx s PHE 164 Ca 0.00 0.22 0.06 0.00 -0.96 0.00 0.00 56.93 56.25 3nsx s PHE 164 Cb 0.00 -1.74 -0.05 0.00 -0.34 0.00 0.00 43.02 40.89 3nsx s PHE 164 CO 0.00 0.56 -0.11 0.20 -1.46 0.00 0.00 175.22 174.41 3nsx s GLY 165 N -1.83 1.29 0.02 13.12 0.00 -0.72 -0.55 107.32 118.67 3nsx s GLY 165 Ca 0.24 -1.60 -0.01 0.00 0.00 0.00 0.00 44.72 43.35 3nsx s GLY 165 CO 0.15 -1.69 -0.01 1.62 0.00 0.00 0.00 173.10 173.18 3nsx s GLN 166 N -3.70 0.39 0.02 2.90 -0.44 -0.69 -0.76 119.66 117.38 3nsx s GLN 166 Ca 0.21 -0.69 -0.28 0.00 -2.50 0.00 0.00 55.36 52.10 3nsx s GLN 166 Cb 0.01 0.14 0.10 0.00 -1.64 0.00 0.00 33.01 31.62 3nsx s GLN 166 CO 0.04 -0.07 0.82 -1.12 0.50 0.00 0.00 175.29 175.47 3nsx s SER 167 N -1.72 -0.42 -0.02 6.67 0.01 -0.61 -0.49 113.70 117.12 3nsx s SER 167 Ca -0.12 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.21 3nsx s SER 167 Cb -0.06 0.43 0.03 0.00 0.21 0.00 0.00 66.02 66.62 3nsx s SER 167 CO -0.02 -0.67 0.02 -0.13 0.41 0.00 0.00 173.24 172.84 3nsx s ARG 168 N -2.99 0.13 -0.32 12.44 1.81 -1.26 -2.04 118.95 126.71 3nsx s ARG 168 Ca 0.03 0.13 -0.28 0.00 -1.72 0.00 0.00 55.73 53.89 3nsx s ARG 168 Cb -0.01 -0.37 -0.03 0.00 -0.45 0.00 0.00 34.95 34.09 3nsx s ARG 168 CO -0.08 -0.15 1.95 -0.46 -0.68 0.00 0.00 175.30 175.87 3nsx s TRP 169 N 1.05 1.59 0.00 -0.53 -0.00 -0.45 -2.15 118.94 118.45 3nsx s TRP 169 Ca -0.09 0.66 0.00 0.00 -0.00 0.00 0.00 56.10 56.66 3nsx s TRP 169 Cb -0.13 -4.04 0.00 0.00 -0.00 0.00 0.00 33.47 29.29 3nsx s TRP 169 CO -0.02 -3.20 0.00 0.41 -0.00 0.00 0.00 176.95 174.13 3nsx n GLY 170 N 5.56 1.31 3.64 5.86 0.00 -1.26 -4.68 105.19 115.62 3nsx n GLY 170 Ca 0.25 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 2.27 0.00 1.61 4.01 -0.91 -4.81 117.16 119.33 3nsx n TYR 171 Ca 0.00 -0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 3nsx n TYR 171 Cb 0.00 -2.71 0.00 0.00 -0.31 0.00 0.00 39.34 36.32 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 5.88 0.00 -3.57 -0.72 -1.04 -1.26 -4.50 114.28 109.06 3nsx n THR 172 Ca 0.25 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 62.06 3nsx n THR 172 Cb 0.35 -0.52 -0.02 0.00 -1.82 0.00 0.00 70.33 68.32 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 -1.95 3.40 0.35 12.58 -4.23 -1.26 -4.72 115.64 119.81 3nsx s THR 173 Ca 0.00 -1.23 0.05 0.00 -1.18 0.00 0.00 61.69 59.34 3nsx s THR 173 Cb 0.00 -3.17 0.30 0.00 1.34 0.00 0.00 72.50 70.96 3nsx s THR 173 CO 0.00 -0.11 1.93 0.11 -0.54 0.00 0.00 174.62 176.01 3nsx h LYS 174 N 1.04 0.78 -0.86 3.99 1.57 -1.99 -2.59 116.57 118.49 3nsx h LYS 174 Ca -0.44 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.27 3nsx h LYS 174 Cb 1.26 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 3nsx h LYS 174 CO 0.55 0.51 0.44 0.93 -0.57 0.00 0.00 179.45 181.32 3nsx h GLU 175 N 0.80 1.23 -0.56 3.15 3.07 -1.94 0.13 114.58 120.46 3nsx h GLU 175 Ca 0.35 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 3nsx h GLU 175 Cb 0.34 -0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 27.99 3nsx h GLU 175 CO -0.13 0.92 0.36 -0.44 -1.40 0.00 0.00 179.01 178.32 3nsx h ASP 176 N 1.22 0.66 -0.24 1.42 3.32 -1.86 -1.49 116.42 119.45 3nsx h ASP 176 Ca 0.30 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 57.16 3nsx h ASP 176 Cb 0.08 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3nsx h ASP 176 CO -0.04 0.50 -0.42 -0.26 -1.72 0.00 0.00 179.24 177.30 3nsx h PHE 177 N 0.76 0.96 -0.64 4.55 0.04 -1.29 -2.70 116.94 118.63 3nsx h PHE 177 Ca 0.20 -0.30 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 3nsx h PHE 177 Cb -0.06 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 37.86 3nsx h PHE 177 CO -0.03 1.08 0.31 0.00 -0.60 0.00 0.00 178.31 179.07 3nsx h ARG 178 N 0.65 0.90 -0.49 1.51 3.08 -0.51 -1.26 114.38 118.26 3nsx h ARG 178 Ca 0.05 -0.12 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 3nsx h ARG 178 Cb 0.99 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 3nsx h ARG 178 CO 0.09 0.70 -0.19 0.00 -1.07 0.00 0.00 179.97 179.50 3nsx h ALA 179 N 1.44 0.74 -0.08 0.04 0.00 -1.04 -1.22 119.26 119.13 3nsx h ALA 179 Ca 0.22 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3nsx h ALA 179 Cb 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3nsx h ALA 179 CO -0.03 0.67 0.03 0.28 0.00 0.00 0.00 179.25 180.20 3nsx h VAL 180 N 0.85 1.14 -0.58 0.00 2.07 -1.24 0.69 116.25 119.19 3nsx h VAL 180 Ca 0.12 -0.43 0.08 0.00 0.82 0.00 0.00 66.70 67.28 3nsx h VAL 180 Cb 0.76 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 3nsx h VAL 180 CO 0.06 0.12 0.25 0.00 0.02 0.00 0.00 177.57 178.02 3nsx h ALA 181 N 0.87 0.75 -0.47 1.67 0.00 -1.11 -0.67 119.26 120.30 3nsx h ALA 181 Ca 0.03 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3nsx h ALA 181 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3nsx h ALA 181 CO -0.00 -0.14 -0.14 -0.22 0.00 0.00 0.00 179.25 178.74 3nsx h LYS 182 N 0.46 0.93 -0.73 0.00 3.64 -1.10 -0.36 116.57 119.40 3nsx h LYS 182 Ca 0.28 -0.37 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 3nsx h LYS 182 Cb 0.29 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 3nsx h LYS 182 CO -0.25 1.03 0.37 0.78 -2.27 0.00 0.00 179.45 179.11 3nsx h GLY 183 N 0.77 1.11 0.38 5.01 0.00 -0.22 0.85 103.07 110.98 3nsx h GLY 183 Ca 0.11 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3nsx h GLY 183 CO 0.05 0.51 -0.05 -0.97 0.00 0.00 0.00 176.54 176.08 3nsx h TYR 184 N 1.02 -0.14 -0.47 5.60 -1.99 -1.04 -3.16 116.97 116.78 3nsx h TYR 184 Ca 0.25 -0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.87 3nsx h TYR 184 Cb 0.09 0.05 -0.02 0.00 2.00 0.00 0.00 36.73 38.85 3nsx h TYR 184 CO 0.00 0.36 -0.14 0.00 -0.00 0.00 0.00 178.16 178.38 3nsx h ARG 185 N -0.77 0.90 0.00 4.88 2.47 -0.99 -0.34 114.38 120.52 3nsx h ARG 185 Ca -0.02 -0.33 0.00 0.00 -1.26 0.00 0.00 59.98 58.38 3nsx h ARG 185 Cb 0.56 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 3nsx h ARG 185 CO 0.03 0.98 0.00 0.39 0.56 0.00 0.00 179.97 181.92 3nsx n GLU 186 N -4.14 0.25 -0.20 0.04 1.02 0.29 -2.43 120.64 115.46 3nsx n GLU 186 Ca 0.01 0.26 0.08 0.00 -0.02 0.00 0.00 57.16 57.49 3nsx n GLU 186 Cb 0.40 -1.82 0.19 0.00 -0.02 0.00 0.00 31.44 30.19 3nsx n GLU 186 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3nsx n ASN 187 N -2.26 3.12 -3.72 1.62 3.02 -1.05 -4.99 115.26 111.00 3nsx n ASN 187 Ca 0.05 -1.94 -0.27 0.00 -0.03 0.00 0.00 54.58 52.39 3nsx n ASN 187 Cb 0.39 -0.27 0.05 0.00 -0.61 0.00 0.00 39.78 39.34 3nsx n ASN 187 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3nsx n HIS 188 N 0.90 -2.55 -3.55 3.10 8.25 -0.24 -4.97 115.22 116.16 3nsx n HIS 188 Ca 0.15 0.93 -0.37 0.00 -0.26 0.00 0.00 57.72 58.17 3nsx n HIS 188 Cb 0.48 -4.46 -0.09 0.00 1.12 0.00 0.00 29.99 27.04 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 5.29 0.57 1.59 1.01 -0.57 -4.98 121.20 120.82 3nsx s ILE 189 Ca 0.61 0.37 -0.20 0.00 0.00 0.00 0.00 60.65 61.43 3nsx s ILE 189 Cb -0.29 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3nsx s ILE 189 CO 0.76 0.30 1.29 -2.84 0.00 0.00 0.00 174.94 174.44 3nsx s PRO 190 N 1.26 3.01 -0.23 2.79 0.02 -1.26 -4.48 135.00 136.11 3nsx s PRO 190 Ca 0.11 2.04 -0.28 0.00 0.02 0.00 0.00 61.00 62.90 3nsx s PRO 190 Cb -0.14 -2.09 0.13 0.00 0.02 0.00 0.00 34.50 32.43 3nsx s PRO 190 CO 0.06 -1.23 1.06 -1.50 -0.33 0.00 0.00 177.00 175.07 3nsx s ILE 191 N -1.42 0.00 0.00 2.83 2.07 -0.71 -4.80 121.20 119.17 3nsx s ILE 191 Ca 0.75 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.99 3nsx s ILE 191 Cb -0.36 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.23 3nsx s ILE 191 CO 0.41 0.00 0.00 0.47 -1.91 0.00 0.00 174.94 173.91 3nsx n ASP 192 N 1.41 3.78 -3.93 4.50 8.00 0.28 -4.57 116.55 126.02 3nsx n ASP 192 Ca -0.11 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.26 3nsx n ASP 192 Cb 0.57 0.72 -0.14 0.00 -0.02 0.00 0.00 41.12 42.25 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 -1.53 0.26 -0.12 -1.24 -1.94 -0.98 -0.88 119.30 112.86 3nsx s MET 193 Ca 0.00 -0.17 0.01 0.00 -1.71 0.00 0.00 55.69 53.83 3nsx s MET 193 Cb 0.00 -0.22 0.02 0.00 2.01 0.00 0.00 34.83 36.64 3nsx s MET 193 CO 0.00 0.06 -0.15 0.42 -0.01 0.00 0.00 175.02 175.33 3nsx s ILE 194 N -0.21 1.56 0.11 2.53 1.01 -0.70 -1.70 121.20 123.80 3nsx s ILE 194 Ca -0.00 -0.66 -0.25 0.00 0.00 0.00 0.00 60.65 59.73 3nsx s ILE 194 Cb -0.02 -1.44 -0.07 0.00 0.01 0.00 0.00 42.46 40.94 3nsx s ILE 194 CO -0.00 0.46 0.78 -0.31 0.00 0.00 0.00 174.94 175.86 3nsx s TYR 195 N 1.13 3.82 -0.27 3.97 1.51 0.36 -1.28 117.35 126.59 3nsx s TYR 195 Ca -0.03 1.56 -0.08 0.00 -1.01 0.00 0.00 57.07 57.51 3nsx s TYR 195 Cb -0.14 -2.80 -0.02 0.00 -0.11 0.00 0.00 41.96 38.89 3nsx s TYR 195 CO -0.04 0.39 0.10 -1.64 -1.11 0.00 0.00 175.55 173.25 3nsx s MET 196 N -0.59 3.53 0.58 -0.62 -1.94 -0.30 -4.49 119.30 115.46 3nsx s MET 196 Ca 0.37 -0.57 -0.06 0.00 -1.71 0.00 0.00 55.69 53.72 3nsx s MET 196 Cb -0.22 -3.41 0.13 0.00 2.01 0.00 0.00 34.83 33.33 3nsx s MET 196 CO 0.25 -0.28 0.79 -3.47 -0.01 0.00 0.00 175.02 172.30 3nsx n ASP 197 N 4.94 0.43 0.34 3.03 -0.08 -1.26 -1.75 116.55 122.19 3nsx n ASP 197 Ca -0.15 -1.51 0.19 0.00 -1.51 0.00 0.00 54.79 51.81 3nsx n ASP 197 Cb 0.50 -0.57 1.01 0.00 2.34 0.00 0.00 41.12 44.40 3nsx n ASP 197 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 3nsx h ILE 198 N -1.09 0.01 0.00 5.18 3.07 -1.92 -2.28 117.51 120.48 3nsx h ILE 198 Ca -0.26 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.15 3nsx h ILE 198 Cb 0.80 0.82 0.00 0.00 -0.27 0.00 0.00 36.82 38.17 3nsx h ILE 198 CO 0.22 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 177.79 3nsx n ASP 199 N -2.99 0.53 0.24 2.16 8.00 -1.26 -2.29 116.55 120.95 3nsx n ASP 199 Ca -0.02 0.66 0.13 0.00 0.71 0.00 0.00 54.79 56.27 3nsx n ASP 199 Cb 0.24 -0.76 0.49 0.00 -0.02 0.00 0.00 41.12 41.06 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 -4.36 1.24 -0.00 -1.63 -3.45 116.97 108.76 3nsx h TYR 200 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 58.73 58.24 3nsx h TYR 200 Cb 0.24 0.00 0.10 0.00 0.00 0.00 0.00 36.73 37.07 3nsx h TYR 200 CO 0.00 0.11 0.36 -1.64 -0.00 0.00 0.00 178.16 176.99 3nsx s MET 201 N -3.56 2.37 -0.52 0.10 -1.94 -0.97 -0.57 119.30 114.22 3nsx s MET 201 Ca 0.02 0.58 -0.27 0.00 -1.71 0.00 0.00 55.69 54.31 3nsx s MET 201 Cb 0.09 -1.96 0.03 0.00 2.01 0.00 0.00 34.83 35.00 3nsx s MET 201 CO 0.61 -1.41 1.09 -1.14 -0.01 0.00 0.00 175.02 174.16 3nsx s GLN 202 N -5.23 3.57 -1.56 2.03 2.00 -1.26 -3.88 119.66 115.34 3nsx s GLN 202 Ca 0.60 0.28 -0.13 0.00 -2.00 0.00 0.00 55.36 54.11 3nsx s GLN 202 Cb -0.13 -3.96 0.09 0.00 0.80 0.00 0.00 33.01 29.81 3nsx s GLN 202 CO 0.53 -1.46 0.86 -0.25 -0.50 0.00 0.00 175.29 174.47 3nsx n ASP 203 N 7.85 -3.70 -1.11 6.67 8.00 -1.26 -1.65 116.55 131.35 3nsx n ASP 203 Ca 0.08 -0.87 -0.14 0.00 0.71 0.00 0.00 54.79 54.57 3nsx n ASP 203 Cb 0.49 -3.49 -0.06 0.00 -0.02 0.00 0.00 41.12 38.04 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 -4.54 -0.02 -2.81 1.24 3.72 -1.26 -4.75 117.46 109.04 3nsx n PHE 204 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 3nsx n PHE 204 Cb 0.54 -2.55 -0.04 0.00 -0.94 0.00 0.00 39.48 36.49 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 -3.26 4.06 0.21 -1.08 1.02 -0.66 -4.67 119.74 115.36 3nsx s LYS 205 Ca 0.00 0.88 -0.32 0.00 0.02 0.00 0.00 55.97 56.56 3nsx s LYS 205 Cb 0.00 -3.71 -0.15 0.00 -0.52 0.00 0.00 37.83 33.46 3nsx s LYS 205 CO 0.00 -0.72 1.25 -0.25 -0.92 0.00 0.00 175.35 174.71 3nsx n ASP 206 N 6.40 1.95 -1.54 2.83 8.00 -1.26 -2.42 116.55 130.52 3nsx n ASP 206 Ca 0.08 1.15 -0.12 0.00 0.71 0.00 0.00 54.79 56.60 3nsx n ASP 206 Cb 0.47 -1.31 0.01 0.00 -0.02 0.00 0.00 41.12 40.27 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 1.55 -0.79 -4.33 1.24 3.72 -1.26 -4.94 117.46 112.65 3nsx n PHE 207 Ca 0.13 0.12 -0.17 0.00 -0.05 0.00 0.00 57.45 57.48 3nsx n PHE 207 Cb 0.28 -2.81 -0.10 0.00 -0.94 0.00 0.00 39.48 35.91 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 -2.72 1.20 -0.04 4.37 -4.23 -1.01 -5.02 115.64 108.20 3nsx s THR 208 Ca 0.07 -2.06 0.04 0.00 -1.18 0.00 0.00 61.69 58.56 3nsx s THR 208 Cb -0.03 -2.25 -0.00 0.00 1.34 0.00 0.00 72.50 71.55 3nsx s THR 208 CO 0.09 -0.41 -0.15 -0.69 -0.54 0.00 0.00 174.62 172.91 3nsx s VAL 209 N -3.31 1.29 -0.24 2.29 1.01 -1.26 -4.24 120.40 115.93 3nsx s VAL 209 Ca 0.26 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.29 3nsx s VAL 209 Cb 0.04 -1.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.24 3nsx s VAL 209 CO 0.08 0.37 2.19 -3.20 0.00 0.00 0.00 175.10 174.54 3nsx n ASN 210 N 3.11 2.95 0.13 3.32 2.85 0.27 -4.32 115.26 123.56 3nsx n ASN 210 Ca -0.18 0.33 -0.01 0.00 -0.11 0.00 0.00 54.58 54.62 3nsx n ASN 210 Cb 0.53 -1.46 0.14 0.00 1.24 0.00 0.00 39.78 40.24 3nsx n ASN 210 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 3nsx h GLU 211 N 13.81 0.00 -0.74 1.20 4.57 -1.91 0.29 114.58 131.79 3nsx h GLU 211 Ca -0.37 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 57.81 3nsx h GLU 211 Cb 1.27 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.82 3nsx h GLU 211 CO 0.98 0.63 0.49 -0.22 -1.18 0.00 0.00 179.01 179.71 3nsx h LYS 212 N 0.00 0.98 0.01 1.92 3.64 -2.00 -2.80 116.57 118.32 3nsx h LYS 212 Ca -0.01 -0.06 -0.29 0.00 -1.27 0.00 0.00 60.65 59.02 3nsx h LYS 212 Cb 1.19 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 32.75 3nsx h LYS 212 CO 0.08 0.65 -1.69 -0.91 -2.27 0.00 0.00 179.45 175.31 3nsx h ASN 213 N 1.01 0.03 -2.11 4.20 2.35 -1.85 -3.41 115.58 115.79 3nsx h ASN 213 Ca 0.27 -0.06 -0.58 0.00 -0.55 0.00 0.00 56.30 55.38 3nsx h ASN 213 Cb -0.11 -0.01 -0.41 0.00 0.05 0.00 0.00 38.32 37.84 3nsx h ASN 213 CO -0.06 1.05 -0.82 0.49 -1.65 0.00 0.00 177.43 176.45 3nsx n PHE 214 N -3.09 1.97 0.24 1.19 3.72 0.98 -4.37 117.46 118.09 3nsx n PHE 214 Ca -0.17 -3.90 0.11 0.00 -0.05 0.00 0.00 57.45 53.44 3nsx n PHE 214 Cb 1.05 -0.47 0.55 0.00 -0.94 0.00 0.00 39.48 39.66 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 4.02 0.00 -1.91 -1.08 0.11 -1.72 -3.24 132.00 128.18 3nsx h PRO 215 Ca 0.14 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.74 3nsx h PRO 215 Cb 0.75 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.45 3nsx h PRO 215 CO 0.68 0.18 -0.95 -0.40 -0.21 0.00 0.00 178.00 177.30 3nsx n ASP 216 N -3.41 2.63 -0.18 -2.05 5.68 -1.26 -4.97 116.55 112.99 3nsx n ASP 216 Ca -0.00 -3.29 -0.07 0.00 -0.50 0.00 0.00 54.79 50.93 3nsx n ASP 216 Cb 0.37 -0.57 0.02 0.00 -1.14 0.00 0.00 41.12 39.81 3nsx n ASP 216 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3nsx h PHE 217 N 2.94 0.70 -0.89 2.11 3.57 -1.96 -2.14 116.94 121.27 3nsx h PHE 217 Ca 0.11 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.70 3nsx h PHE 217 Cb 0.83 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.28 3nsx h PHE 217 CO 0.64 0.48 0.58 -1.35 -2.23 0.00 0.00 178.31 176.42 3nsx h PRO 218 N 0.72 0.90 -0.51 6.41 0.11 -1.93 0.14 132.00 137.85 3nsx h PRO 218 Ca 0.19 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.16 3nsx h PRO 218 Cb -0.03 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 30.86 3nsx h PRO 218 CO -0.04 0.59 -0.03 0.93 -0.21 0.00 0.00 178.00 179.24 3nsx h GLU 219 N 0.93 0.88 -0.31 1.05 3.07 -1.74 -1.81 114.58 116.64 3nsx h GLU 219 Ca 0.41 -0.27 -0.17 0.00 -0.50 0.00 0.00 59.36 58.83 3nsx h GLU 219 Cb 0.35 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 3nsx h GLU 219 CO -0.17 0.89 -0.46 0.35 -1.40 0.00 0.00 179.01 178.22 3nsx h PHE 220 N 0.80 1.07 -0.77 4.33 3.57 -0.79 -0.08 116.94 125.07 3nsx h PHE 220 Ca 0.15 -0.36 0.10 0.00 3.53 0.00 0.00 57.97 61.39 3nsx h PHE 220 Cb 0.53 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 38.98 3nsx h PHE 220 CO 0.03 1.18 0.41 0.28 -2.23 0.00 0.00 178.31 177.98 3nsx h VAL 221 N 0.65 0.86 -0.18 1.41 2.07 -0.65 -1.17 116.25 119.24 3nsx h VAL 221 Ca 0.03 -0.23 -0.16 0.00 0.82 0.00 0.00 66.70 67.16 3nsx h VAL 221 Cb 1.07 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3nsx h VAL 221 CO 0.11 0.12 -0.55 0.50 0.02 0.00 0.00 177.57 177.77 3nsx h LYS 222 N 0.68 0.54 -0.77 1.57 3.64 -1.06 0.06 116.57 121.24 3nsx h LYS 222 Ca 0.38 -0.34 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3nsx h LYS 222 Cb 0.40 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 3nsx h LYS 222 CO -0.27 0.95 0.46 1.49 -2.27 0.00 0.00 179.45 179.81 3nsx h GLU 223 N 0.41 0.82 -0.09 1.90 4.81 -0.36 0.98 114.58 123.05 3nsx h GLU 223 Ca 0.01 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 3nsx h GLU 223 Cb 1.09 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.29 3nsx h GLU 223 CO 0.10 0.54 -0.28 0.52 -0.73 0.00 0.00 179.01 179.17 3nsx h MET 224 N 0.84 0.34 -0.21 1.92 2.86 -1.06 -3.28 114.93 116.34 3nsx h MET 224 Ca 0.34 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 3nsx h MET 224 Cb 0.17 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 3nsx h MET 224 CO -0.17 0.87 -0.10 -0.22 1.06 0.00 0.00 176.91 178.35 3nsx h LYS 225 N -0.12 0.34 0.00 1.72 3.64 -0.60 -0.03 116.57 121.51 3nsx h LYS 225 Ca -0.01 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3nsx h LYS 225 Cb 0.90 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3nsx h LYS 225 CO 0.06 0.45 0.00 -0.44 -2.27 0.00 0.00 179.45 177.25 3nsx h ASP 226 N 0.32 0.00 -0.48 4.20 3.32 -0.87 -0.18 116.42 122.73 3nsx h ASP 226 Ca 0.07 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3nsx h ASP 226 Cb 0.38 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3nsx h ASP 226 CO 0.02 0.00 0.02 0.00 -1.72 0.00 0.00 179.24 177.56 3nsx n GLN 227 N -2.88 4.13 -3.84 3.56 6.02 -0.14 -4.94 117.38 119.29 3nsx n GLN 227 Ca -0.02 -3.06 -0.27 0.00 -0.01 0.00 0.00 57.00 53.64 3nsx n GLN 227 Cb 0.12 -2.12 0.03 0.00 1.02 0.00 0.00 30.24 29.29 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 0.16 -5.44 -4.09 -1.09 -0.58 -0.08 -5.00 120.64 104.53 3nsx n GLU 228 Ca 0.27 0.61 -0.32 0.00 -0.42 0.00 0.00 57.16 57.30 3nsx n GLU 228 Cb 1.11 -5.40 -0.15 0.00 -0.57 0.00 0.00 31.44 26.43 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 -7.10 2.82 -0.23 -4.62 1.43 -0.50 -4.39 118.68 106.10 3nsx s LEU 229 Ca 0.45 -1.05 -0.09 0.00 -1.03 0.00 0.00 54.13 52.41 3nsx s LEU 229 Cb -0.22 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 3nsx s LEU 229 CO 0.82 -0.11 0.12 -0.13 0.23 0.00 0.00 176.35 177.28 3nsx s ARG 230 N 1.20 3.95 0.03 1.70 0.52 -0.06 -2.38 118.95 123.91 3nsx s ARG 230 Ca -0.03 -0.33 -0.29 0.00 -0.52 0.00 0.00 55.73 54.56 3nsx s ARG 230 Cb -0.17 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 31.84 3nsx s ARG 230 CO -0.09 0.05 0.92 -0.51 0.02 0.00 0.00 175.30 175.69 3nsx s LEU 231 N 1.04 4.41 -0.38 2.53 1.43 -1.26 -1.71 118.68 124.73 3nsx s LEU 231 Ca 0.06 1.62 0.03 0.00 -1.03 0.00 0.00 54.13 54.81 3nsx s LEU 231 Cb -0.14 -3.48 0.11 0.00 0.03 0.00 0.00 46.19 42.71 3nsx s LEU 231 CO 0.04 -0.15 0.12 -0.63 0.23 0.00 0.00 176.35 175.96 3nsx s ILE 232 N 0.55 2.08 0.33 -0.59 -1.09 -0.41 -4.47 121.20 117.60 3nsx s ILE 232 Ca 0.47 -2.45 -0.18 0.00 -2.23 0.00 0.00 60.65 56.26 3nsx s ILE 232 Cb -0.21 -2.51 -0.09 0.00 -1.58 0.00 0.00 42.46 38.06 3nsx s ILE 232 CO 0.27 -0.68 0.80 -2.84 -1.23 0.00 0.00 174.94 171.25 3nsx s PRO 233 N 0.69 4.13 0.27 2.79 0.02 -1.24 -1.15 135.00 140.51 3nsx s PRO 233 Ca 0.13 0.84 -0.17 0.00 0.02 0.00 0.00 61.00 61.82 3nsx s PRO 233 Cb -0.21 -2.46 -0.09 0.00 0.02 0.00 0.00 34.50 31.76 3nsx s PRO 233 CO -0.08 0.16 0.73 -1.50 -0.33 0.00 0.00 177.00 175.98 3nsx s ILE 234 N -1.94 4.62 -0.04 2.83 2.07 -0.72 -2.44 121.20 125.59 3nsx s ILE 234 Ca 0.54 1.12 0.04 0.00 -1.41 0.00 0.00 60.65 60.93 3nsx s ILE 234 Cb -0.11 -3.73 0.00 0.00 0.13 0.00 0.00 42.46 38.74 3nsx s ILE 234 CO 0.17 0.01 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.44 3nsx s ILE 235 N -1.75 1.19 0.23 2.00 -1.09 0.00 -4.92 121.20 116.87 3nsx s ILE 235 Ca 0.49 -0.58 0.06 0.00 -2.23 0.00 0.00 60.65 58.39 3nsx s ILE 235 Cb -0.13 -1.04 -0.04 0.00 -1.58 0.00 0.00 42.46 39.67 3nsx s ILE 235 CO 0.19 0.35 0.22 -1.81 -1.23 0.00 0.00 174.94 172.66 3nsx s ASP 236 N 0.15 5.71 0.26 3.58 1.01 -1.26 -1.08 116.67 125.03 3nsx s ASP 236 Ca -0.05 -0.15 -0.01 0.00 0.71 0.00 0.00 52.55 53.06 3nsx s ASP 236 Cb -0.11 -1.52 0.35 0.00 1.01 0.00 0.00 42.92 42.66 3nsx s ASP 236 CO 0.02 -0.02 1.73 0.00 0.21 0.00 0.00 175.17 177.11 3nsx h ALA 237 N 1.62 1.08 -2.80 5.23 0.00 -1.73 -3.44 119.26 119.22 3nsx h ALA 237 Ca -0.49 -0.30 -0.57 0.00 0.00 0.00 0.00 54.91 53.55 3nsx h ALA 237 Cb 1.23 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 3nsx h ALA 237 CO 0.62 0.57 -0.02 0.20 0.00 0.00 0.00 179.25 180.61 3nsx s GLY 238 N -3.85 2.50 -0.29 0.00 0.00 -1.26 -4.23 107.32 100.19 3nsx s GLY 238 Ca -0.08 -0.03 -0.13 0.00 0.00 0.00 0.00 44.72 44.48 3nsx s GLY 238 CO 0.81 0.99 0.26 0.14 0.00 0.00 0.00 173.10 175.29 3nsx s VAL 239 N 0.75 5.26 0.20 1.40 1.01 -0.08 -4.72 120.40 124.21 3nsx s VAL 239 Ca 0.32 0.26 -0.32 0.00 0.00 0.00 0.00 61.98 62.23 3nsx s VAL 239 Cb -0.16 -3.61 -0.14 0.00 0.00 0.00 0.00 36.38 32.46 3nsx s VAL 239 CO 0.14 0.18 1.36 1.17 0.00 0.00 0.00 175.10 177.95 3nsx n LYS 240 N 5.17 1.73 -2.39 2.72 4.81 -1.26 -1.11 118.16 127.83 3nsx n LYS 240 Ca -0.12 0.62 -0.43 0.00 -0.87 0.00 0.00 58.31 57.51 3nsx n LYS 240 Cb 0.51 -2.25 -0.02 0.00 0.02 0.00 0.00 35.03 33.29 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 0.09 3.98 -0.30 3.15 1.01 -0.31 -4.64 120.40 123.38 3nsx s VAL 241 Ca 0.72 1.02 -0.08 0.00 0.00 0.00 0.00 61.98 63.64 3nsx s VAL 241 Cb -0.74 -4.25 0.15 0.00 0.00 0.00 0.00 36.38 31.54 3nsx s VAL 241 CO 0.48 -0.75 0.67 -0.70 0.00 0.00 0.00 175.10 174.81 3nsx s GLU 242 N 4.75 0.54 0.25 2.72 2.12 -1.26 -4.92 118.70 122.89 3nsx s GLU 242 Ca 0.59 1.25 -0.31 0.00 0.36 0.00 0.00 54.97 56.86 3nsx s GLU 242 Cb -0.13 0.74 -0.13 0.00 0.26 0.00 0.00 34.13 34.87 3nsx s GLU 242 CO 0.31 -0.31 1.51 1.17 -0.54 0.00 0.00 175.26 177.41 3nsx n LYS 243 N 5.41 2.32 0.00 4.30 4.81 -1.26 -1.87 118.16 131.87 3nsx n LYS 243 Ca -0.09 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 3nsx n LYS 243 Cb 0.50 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 33.00 3nsx n LYS 243 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3nsx n GLY 244 N 2.44 2.43 3.64 3.14 0.00 -1.26 -5.01 105.19 110.57 3nsx n GLY 244 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.25 2.91 0.21 1.61 5.04 -0.78 -4.94 117.35 119.16 3nsx s TYR 245 Ca 0.00 1.05 -0.10 0.00 -2.44 0.00 0.00 57.07 55.58 3nsx s TYR 245 Cb 0.00 -3.70 0.17 0.00 0.35 0.00 0.00 41.96 38.78 3nsx s TYR 245 CO 0.00 -1.33 1.89 1.49 -1.34 0.00 0.00 175.55 176.26 3nsx h GLU 246 N 8.55 1.04 -0.70 4.97 4.81 -1.95 -0.26 114.58 131.03 3nsx h GLU 246 Ca -0.24 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3nsx h GLU 246 Cb 1.08 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 3nsx h GLU 246 CO 1.02 0.69 0.43 0.28 -0.73 0.00 0.00 179.01 180.69 3nsx h VAL 247 N 1.07 1.20 -0.11 0.32 2.07 -1.92 -0.66 116.25 118.22 3nsx h VAL 247 Ca 0.29 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3nsx h VAL 247 Cb -0.12 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 29.86 3nsx h VAL 247 CO -0.06 0.21 0.02 0.22 0.02 0.00 0.00 177.57 177.98 3nsx h TYR 248 N 0.96 0.19 -0.67 1.57 3.20 -1.66 -2.25 116.97 118.31 3nsx h TYR 248 Ca 0.25 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 3nsx h TYR 248 Cb -0.04 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3nsx h TYR 248 CO -0.01 0.36 0.38 0.93 -1.64 0.00 0.00 178.16 178.18 3nsx h GLU 249 N -0.03 0.93 -0.45 1.82 4.39 -0.81 -1.67 114.58 118.75 3nsx h GLU 249 Ca 0.03 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 3nsx h GLU 249 Cb 0.27 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 3nsx h GLU 249 CO 0.00 0.69 0.10 0.93 -1.16 0.00 0.00 179.01 179.56 3nsx h GLU 250 N 0.92 0.73 -0.86 2.33 5.08 -1.15 -1.24 114.58 120.39 3nsx h GLU 250 Ca 0.24 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3nsx h GLU 250 Cb 0.02 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 3nsx h GLU 250 CO -0.04 0.74 0.41 0.78 -1.00 0.00 0.00 179.01 179.90 3nsx h GLY 251 N 0.60 1.32 0.80 -3.84 0.00 -1.09 -0.71 103.07 100.15 3nsx h GLY 251 Ca 0.14 -0.65 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 3nsx h GLY 251 CO 0.00 0.62 -0.11 -2.08 0.00 0.00 0.00 176.54 174.98 3nsx h VAL 252 N 1.22 1.31 -0.79 4.60 2.07 -1.19 -0.85 116.25 122.63 3nsx h VAL 252 Ca 0.29 -1.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 3nsx h VAL 252 Cb 0.12 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3nsx h VAL 252 CO -0.04 0.36 0.30 0.50 0.02 0.00 0.00 177.57 178.71 3nsx h LYS 253 N 0.10 1.18 -0.45 1.57 3.64 -1.01 -3.08 116.57 118.52 3nsx h LYS 253 Ca 0.04 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3nsx h LYS 253 Cb 0.60 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3nsx h LYS 253 CO 0.03 0.96 0.00 0.09 -2.27 0.00 0.00 179.45 178.26 3nsx n ASN 254 N -4.28 3.26 -3.60 4.20 3.02 -0.29 -4.96 115.26 112.60 3nsx n ASN 254 Ca 0.07 -1.96 -0.21 0.00 -0.03 0.00 0.00 54.58 52.45 3nsx n ASN 254 Cb 0.19 -0.30 0.06 0.00 -0.61 0.00 0.00 39.78 39.13 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 1.33 -2.75 -0.60 6.41 3.02 -0.90 -4.91 115.26 116.85 3nsx n ASN 255 Ca 0.20 -0.69 0.12 0.00 -0.03 0.00 0.00 54.58 54.18 3nsx n ASN 255 Cb 0.56 -4.62 0.16 0.00 -0.61 0.00 0.00 39.78 35.27 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 -4.38 0.00 -3.83 3.10 4.01 -0.37 -4.95 117.16 110.74 3nsx n TYR 256 Ca -0.21 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.30 3nsx n TYR 256 Cb 0.64 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.63 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 -2.27 3.47 0.29 -0.72 0.08 -1.25 -0.08 117.98 117.50 3nsx s PHE 257 Ca 0.25 0.11 -0.29 0.00 0.12 0.00 0.00 56.93 57.12 3nsx s PHE 257 Cb 0.19 -1.68 -0.10 0.00 -0.57 0.00 0.00 43.02 40.87 3nsx s PHE 257 CO 0.45 0.39 1.28 0.00 -0.10 0.00 0.00 175.22 177.23 3nsx s LYS 259 N -1.30 2.38 1.05 0.00 1.02 -1.18 -1.68 119.74 120.04 3nsx s LYS 259 Ca 0.50 -1.20 -0.16 0.00 0.02 0.00 0.00 55.97 55.13 3nsx s LYS 259 Cb -0.38 -2.31 0.22 0.00 -0.52 0.00 0.00 37.83 34.85 3nsx s LYS 259 CO 0.47 0.43 1.18 1.03 -0.92 0.00 0.00 175.35 177.54 3nsx s ARG 260 N -3.18 -0.04 0.37 1.68 0.52 0.12 -0.99 118.95 117.43 3nsx s ARG 260 Ca 0.29 -0.05 0.09 0.00 -0.52 0.00 0.00 55.73 55.53 3nsx s ARG 260 Cb -0.08 -1.73 0.83 0.00 0.52 0.00 0.00 34.95 34.49 3nsx s ARG 260 CO 0.19 -2.93 1.92 1.49 0.02 0.00 0.00 175.30 175.99 3nsx h GLU 261 N -2.02 0.64 -0.11 3.54 4.81 -1.89 -1.28 114.58 118.28 3nsx h GLU 261 Ca -0.47 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3nsx h GLU 261 Cb 1.29 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3nsx h GLU 261 CO 0.43 0.42 0.00 -0.40 -0.73 0.00 0.00 179.01 178.74 3nsx n ASP 262 N -4.51 0.90 0.00 1.04 5.75 -1.26 -4.90 116.55 113.57 3nsx n ASP 262 Ca 0.14 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 3nsx n ASP 262 Cb 0.38 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 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 0.92 1.11 3.80 6.12 0.00 -0.48 -5.05 105.19 111.60 3nsx n GLY 263 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.06 5.32 -0.17 1.61 1.04 -1.26 -4.73 113.70 112.44 3nsx s SER 264 Ca 0.00 1.75 -0.29 0.00 0.48 0.00 0.00 55.95 57.89 3nsx s SER 264 Cb 0.00 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.60 3nsx s SER 264 CO 0.00 -1.48 1.14 -1.81 0.98 0.00 0.00 173.24 172.07 3nsx s ASP 265 N -3.29 7.05 0.26 7.02 1.01 -1.26 0.11 116.67 127.57 3nsx s ASP 265 Ca 0.61 1.56 -0.30 0.00 0.71 0.00 0.00 52.55 55.13 3nsx s ASP 265 Cb -0.16 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.13 3nsx s ASP 265 CO 0.48 -0.67 1.47 0.12 0.21 0.00 0.00 175.17 176.79 3nsx s PHE 266 N 3.07 2.96 -0.22 4.23 5.36 -0.68 -4.82 117.98 127.89 3nsx s PHE 266 Ca 0.50 0.97 -0.07 0.00 -0.96 0.00 0.00 56.93 57.36 3nsx s PHE 266 Cb -0.19 -3.87 -0.03 0.00 -0.34 0.00 0.00 43.02 38.58 3nsx s PHE 266 CO 0.12 -2.87 0.06 0.08 -1.46 0.00 0.00 175.22 171.15 3nsx s VAL 267 N 0.01 4.48 -0.09 3.12 1.01 -1.26 -4.39 120.40 123.29 3nsx s VAL 267 Ca 0.60 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.49 3nsx s VAL 267 Cb -0.43 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 32.89 3nsx s VAL 267 CO 0.44 0.39 -0.19 0.00 0.00 0.00 0.00 175.10 175.74 3nsx s ALA 268 N 1.09 1.76 -0.03 5.51 0.00 -0.52 -3.68 121.76 125.90 3nsx s ALA 268 Ca 0.04 -0.72 -0.26 0.00 0.00 0.00 0.00 51.96 51.01 3nsx s ALA 268 Cb -0.14 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 3nsx s ALA 268 CO 0.03 0.21 0.82 0.00 0.00 0.00 0.00 175.76 176.82 3nsx s ALA 269 N 0.50 3.26 0.00 0.00 0.00 0.31 -0.67 121.76 125.15 3nsx s ALA 269 Ca -0.17 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.11 3nsx s ALA 269 Cb -0.17 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3nsx s ALA 269 CO 0.06 -0.15 0.00 0.28 0.00 0.00 0.00 175.76 175.95 3nsx n VAL 270 N 3.80 0.00 -0.34 0.00 0.31 -0.39 -0.75 118.33 120.96 3nsx n VAL 270 Ca 0.02 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.43 3nsx n VAL 270 Cb 0.51 0.00 0.26 0.00 -0.91 0.00 0.00 33.84 33.70 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 1.02 -0.02 3.52 4.06 -1.95 -1.05 115.95 121.52 3nsx h TRP 271 Ca 0.00 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.98 3nsx h TRP 271 Cb 0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 29.16 27.85 3nsx h TRP 271 CO 0.00 0.32 0.00 -2.30 -3.56 0.00 0.00 178.44 172.90 3nsx n PRO 272 N -4.73 1.08 0.00 0.49 -0.02 -1.26 -4.97 135.00 125.58 3nsx n PRO 272 Ca 0.20 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3nsx n PRO 272 Cb 0.44 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 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 0.72 0.43 3.70 -1.23 0.00 -0.40 -4.90 105.19 103.51 3nsx n GLY 273 Ca 0.09 -1.06 -0.44 0.00 0.00 0.00 0.00 46.02 44.62 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 3.29 3.55 -4.25 1.61 8.00 -1.26 -1.26 116.55 126.23 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 -1.51 -0.10 0.00 -0.02 0.00 0.00 41.12 39.49 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 0.80 0.59 0.18 -3.53 -4.23 0.15 -1.16 115.64 108.44 3nsx s THR 275 Ca 0.74 -1.98 0.09 0.00 -1.18 0.00 0.00 61.69 59.36 3nsx s THR 275 Cb -0.58 -2.23 -0.04 0.00 1.34 0.00 0.00 72.50 71.00 3nsx s THR 275 CO 0.38 -0.37 -0.08 -1.00 -0.54 0.00 0.00 174.62 173.01 3nsx s HIS 276 N -3.72 2.67 -0.23 3.99 3.76 -0.26 -1.43 115.29 120.06 3nsx s HIS 276 Ca 0.27 -0.21 -0.09 0.00 -0.15 0.00 0.00 55.06 54.88 3nsx s HIS 276 Cb 0.07 -1.31 -0.04 0.00 1.11 0.00 0.00 32.58 32.40 3nsx s HIS 276 CO 0.06 0.51 0.12 -0.06 -0.85 0.00 0.00 174.74 174.52 3nsx s PHE 277 N -1.68 3.26 0.35 1.40 0.08 -1.26 -0.91 117.98 119.22 3nsx s PHE 277 Ca 0.25 0.09 -0.28 0.00 0.12 0.00 0.00 56.93 57.11 3nsx s PHE 277 Cb -0.09 -2.22 -0.12 0.00 -0.57 0.00 0.00 43.02 40.02 3nsx s PHE 277 CO 0.15 0.02 1.29 -2.30 -0.10 0.00 0.00 175.22 174.28 3nsx n PRO 278 N 4.22 2.12 -2.46 0.24 -0.02 -1.26 -0.19 135.00 137.65 3nsx n PRO 278 Ca -0.16 0.74 -0.39 0.00 -2.02 0.00 0.00 63.50 61.68 3nsx n PRO 278 Cb 0.52 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 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 -0.32 6.31 0.64 2.55 -1.08 0.88 -4.61 116.67 121.03 3nsx s ASP 279 Ca 0.56 -1.61 0.42 0.00 -0.52 0.00 0.00 52.55 51.39 3nsx s ASP 279 Cb -0.56 -2.57 2.17 0.00 -1.46 0.00 0.00 42.92 40.50 3nsx s ASP 279 CO 0.62 -1.69 2.28 0.24 0.52 0.00 0.00 175.17 177.14 3nsx h MET 280 N 9.44 0.00 -0.00 4.34 2.86 -1.88 -1.37 114.93 128.31 3nsx h MET 280 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3nsx h MET 280 Cb 0.97 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.63 3nsx h MET 280 CO 1.39 0.00 -0.39 1.28 1.06 0.00 0.00 176.91 180.26 3nsx n LEU 281 N -3.11 0.66 -4.63 1.22 4.32 -1.26 -4.69 117.00 109.51 3nsx n LEU 281 Ca -0.02 -0.07 -0.40 0.00 -0.02 0.00 0.00 56.01 55.49 3nsx n LEU 281 Cb 0.13 -0.21 -0.07 0.00 -1.62 0.00 0.00 43.42 41.65 3nsx n LEU 281 CO 0.22 0.14 0.34 0.21 -1.22 0.00 0.00 177.39 177.09 3nsx s ASN 282 N -2.81 6.56 0.29 -1.43 3.84 -0.52 -4.78 114.94 116.10 3nsx s ASN 282 Ca 0.16 0.68 -0.02 0.00 0.21 0.00 0.00 52.86 53.90 3nsx s ASN 282 Cb 0.18 -2.32 0.44 0.00 -0.55 0.00 0.00 41.25 39.00 3nsx s ASN 282 CO 0.63 -0.32 1.93 -0.65 -2.79 0.00 0.00 177.10 175.90 3nsx h PRO 283 N 7.82 1.11 -0.58 0.43 0.11 -1.86 0.28 132.00 139.31 3nsx h PRO 283 Ca -0.29 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.67 3nsx h PRO 283 Cb 1.13 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 3nsx h PRO 283 CO 0.76 0.73 0.01 0.93 -0.21 0.00 0.00 178.00 180.22 3nsx h GLU 284 N 1.14 1.02 -0.43 1.05 3.07 -1.93 -1.49 114.58 117.02 3nsx h GLU 284 Ca 0.36 -0.32 -0.08 0.00 -0.50 0.00 0.00 59.36 58.82 3nsx h GLU 284 Cb 0.01 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 3nsx h GLU 284 CO -0.11 1.00 -0.05 0.00 -1.40 0.00 0.00 179.01 178.46 3nsx h ALA 285 N 0.98 0.58 -0.55 3.43 0.00 -1.67 -1.77 119.26 120.27 3nsx h ALA 285 Ca 0.17 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.86 3nsx h ALA 285 Cb 0.53 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3nsx h ALA 285 CO 0.03 0.42 0.19 0.00 0.00 0.00 0.00 179.25 179.89 3nsx h ARG 286 N 0.62 0.36 -0.36 0.00 3.08 -0.82 0.11 114.38 117.37 3nsx h ARG 286 Ca 0.12 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3nsx h ARG 286 Cb 0.56 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3nsx h ARG 286 CO 0.03 0.24 0.14 -0.22 -1.07 0.00 0.00 179.97 179.09 3nsx h LYS 287 N 0.37 0.55 -0.05 0.04 3.64 -1.13 -0.56 116.57 119.43 3nsx h LYS 287 Ca 0.27 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3nsx h LYS 287 Cb 0.31 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3nsx h LYS 287 CO -0.28 0.54 -0.02 2.35 -2.27 0.00 0.00 179.45 179.78 3nsx h TRP 288 N 0.44 -0.04 -0.23 1.91 7.01 -0.96 -0.76 115.95 123.32 3nsx h TRP 288 Ca 0.12 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 3nsx h TRP 288 Cb 0.21 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 3nsx h TRP 288 CO 0.00 -0.03 0.07 0.35 -2.79 0.00 0.00 178.44 176.04 3nsx h PHE 289 N -0.01 0.38 -0.77 2.65 3.57 -0.67 -2.83 116.94 119.26 3nsx h PHE 289 Ca 0.03 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3nsx h PHE 289 Cb 0.05 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 3nsx h PHE 289 CO -0.12 0.43 0.41 0.78 -2.23 0.00 0.00 178.31 177.59 3nsx h GLY 290 N 0.21 1.14 2.00 2.40 0.00 -1.03 -1.92 103.07 105.87 3nsx h GLY 290 Ca 0.07 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 3nsx h GLY 290 CO -0.00 0.50 -0.04 -0.55 0.00 0.00 0.00 176.54 176.44 3nsx h ASP 291 N 1.07 0.00 0.14 0.19 3.32 -0.89 -1.93 116.42 118.32 3nsx h ASP 291 Ca 0.27 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 3nsx h ASP 291 Cb 0.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3nsx h ASP 291 CO -0.04 0.04 -0.05 0.11 -1.72 0.00 0.00 179.24 177.58 3nsx h LYS 292 N 0.00 0.00 0.00 3.56 1.79 -1.18 -1.93 116.57 118.82 3nsx h LYS 292 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 3nsx h LYS 292 Cb 0.12 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3nsx h LYS 292 CO 0.01 0.05 -0.03 1.88 -1.08 0.00 0.00 179.45 180.28 3nsx h TYR 293 N 0.00 0.00 -0.79 -1.35 -1.99 -1.47 -1.71 116.97 109.65 3nsx h TYR 293 Ca -0.00 0.00 0.18 0.00 2.00 0.00 0.00 58.73 60.91 3nsx h TYR 293 Cb 0.13 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.81 3nsx h TYR 293 CO 0.00 0.03 0.53 0.00 -0.00 0.00 0.00 178.16 178.72 3nsx h ARG 294 N 0.00 0.32 -0.83 4.88 3.08 -1.54 -1.38 114.38 118.91 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 0.10 -0.07 -0.11 0.00 0.08 0.00 0.00 29.97 29.97 3nsx h ARG 294 CO 0.00 0.21 0.35 0.35 -1.07 0.00 0.00 179.97 179.82 3nsx h PHE 295 N 0.33 0.60 0.09 3.04 3.57 -1.52 -0.28 116.94 122.76 3nsx h PHE 295 Ca 0.39 0.04 -0.34 0.00 3.53 0.00 0.00 57.97 61.59 3nsx h PHE 295 Cb 1.05 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 3nsx h PHE 295 CO -0.00 0.04 -1.88 -0.07 -2.23 0.00 0.00 178.31 174.17 3nsx h LEU 296 N 0.45 0.29 -1.07 0.59 3.38 -1.48 -3.34 115.31 114.12 3nsx h LEU 296 Ca 0.48 -0.63 0.05 0.00 0.09 0.00 0.00 57.88 57.87 3nsx h LEU 296 Cb 0.80 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 3nsx h LEU 296 CO -0.45 1.57 0.62 0.40 0.09 0.00 0.00 178.44 180.67 3nsx h ILE 297 N 0.05 1.11 0.00 1.22 2.04 -1.07 -0.96 117.51 119.89 3nsx h ILE 297 Ca -0.37 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.10 3nsx h ILE 297 Cb 2.03 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 3nsx h ILE 297 CO 0.09 0.21 0.00 0.47 0.00 0.00 0.00 178.15 178.92 3nsx n ASP 298 N -4.48 0.58 -1.04 1.72 8.00 -0.14 -1.55 116.55 119.64 3nsx n ASP 298 Ca 0.14 0.66 0.12 0.00 0.71 0.00 0.00 54.79 56.42 3nsx n ASP 298 Cb 0.16 -0.78 0.21 0.00 -0.02 0.00 0.00 41.12 40.69 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 -2.16 2.38 0.00 -1.24 6.02 -0.40 -4.94 117.38 117.04 3nsx n GLN 299 Ca 0.02 -2.07 0.00 0.00 -0.01 0.00 0.00 57.00 54.94 3nsx n GLN 299 Cb 0.19 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.96 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 1.43 1.01 3.74 1.08 0.00 -0.59 -4.52 105.19 107.34 3nsx n GLY 300 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 3.99 -0.02 -0.61 -1.09 -1.00 -4.95 121.20 115.52 3nsx s ILE 301 Ca 0.00 1.85 0.02 0.00 -2.23 0.00 0.00 60.65 60.30 3nsx s ILE 301 Cb 0.00 -4.18 0.04 0.00 -1.58 0.00 0.00 42.46 36.74 3nsx s ILE 301 CO 0.00 0.38 0.96 -0.62 -1.23 0.00 0.00 174.94 174.43 3nsx n GLU 302 N 1.90 2.32 -3.49 2.79 1.02 -1.26 -4.37 120.64 119.55 3nsx n GLU 302 Ca 0.00 -1.50 -0.10 0.00 -0.02 0.00 0.00 57.16 55.54 3nsx n GLU 302 Cb 0.47 -0.99 -0.03 0.00 -0.02 0.00 0.00 31.44 30.87 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 -1.11 -0.50 0.08 0.62 0.00 -1.26 -1.82 107.32 103.32 3nsx s GLY 303 Ca 0.04 1.00 -0.08 0.00 0.00 0.00 0.00 44.72 45.67 3nsx s GLY 303 CO 0.00 0.41 0.18 -1.36 0.00 0.00 0.00 173.10 172.33 3nsx s PHE 304 N -2.94 0.15 -0.02 1.90 0.08 0.11 -3.67 117.98 113.60 3nsx s PHE 304 Ca 0.02 -0.55 0.02 0.00 0.12 0.00 0.00 56.93 56.54 3nsx s PHE 304 Cb -0.01 -0.07 0.00 0.00 -0.57 0.00 0.00 43.02 42.37 3nsx s PHE 304 CO -0.08 -0.51 -0.09 1.67 -0.10 0.00 0.00 175.22 176.12 3nsx s TRP 305 N -3.60 0.91 -0.22 0.36 1.48 -1.02 -2.89 118.94 113.96 3nsx s TRP 305 Ca 0.03 -0.22 -0.09 0.00 -1.06 0.00 0.00 56.10 54.77 3nsx s TRP 305 Cb 0.04 -0.64 -0.04 0.00 -1.16 0.00 0.00 33.47 31.66 3nsx s TRP 305 CO -0.10 -0.09 0.10 -0.80 -4.06 0.00 0.00 176.95 172.01 3nsx s ASN 306 N 0.14 5.71 0.32 -2.66 0.02 -0.21 -0.82 114.94 117.44 3nsx s ASN 306 Ca -0.02 0.04 0.05 0.00 -1.02 0.00 0.00 52.86 51.90 3nsx s ASN 306 Cb -0.08 -2.01 -0.06 0.00 0.02 0.00 0.00 41.25 39.12 3nsx s ASN 306 CO 0.00 0.09 0.01 -0.62 0.02 0.00 0.00 177.10 176.61 3nsx s ASP 307 N 0.87 2.67 -1.93 -1.22 2.15 -0.24 -1.98 116.67 116.98 3nsx s ASP 307 Ca 0.05 -1.31 0.00 0.00 0.43 0.00 0.00 52.55 51.72 3nsx s ASP 307 Cb -0.13 -0.15 0.00 0.00 -0.30 0.00 0.00 42.92 42.34 3nsx s ASP 307 CO 0.03 -0.50 0.00 0.23 -0.17 0.00 0.00 175.17 174.75 3nsx n MET 308 N -0.68 -1.61 -1.08 4.34 2.81 -1.26 -2.72 117.12 116.91 3nsx n MET 308 Ca -0.04 1.09 -0.17 0.00 -1.81 0.00 0.00 57.70 56.77 3nsx n MET 308 Cb 0.66 -5.66 0.18 0.00 -0.71 0.00 0.00 33.22 27.69 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 -1.79 3.40 -0.24 7.83 6.94 -1.26 -1.49 115.26 128.65 3nsx n ASN 309 Ca -0.23 -3.70 -0.05 0.00 -0.02 0.00 0.00 54.58 50.58 3nsx n ASN 309 Cb 0.69 -0.76 0.11 0.00 -2.36 0.00 0.00 39.78 37.46 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 1.06 1.08 -6.47 -3.83 3.07 -1.91 -2.37 114.58 105.20 3nsx h GLU 310 Ca 0.47 -0.20 -0.53 0.00 -0.50 0.00 0.00 59.36 58.60 3nsx h GLU 310 Cb 2.28 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 29.99 3nsx h GLU 310 CO 0.83 0.89 0.01 -1.25 -1.40 0.00 0.00 179.01 178.10 3nsx s PRO 311 N -5.45 4.09 0.33 2.33 0.04 -1.26 -4.57 135.00 130.51 3nsx s PRO 311 Ca -0.11 0.66 -0.28 0.00 0.04 0.00 0.00 61.00 61.31 3nsx s PRO 311 Cb 0.16 -2.85 -0.09 0.00 0.04 0.00 0.00 34.50 31.76 3nsx s PRO 311 CO 0.83 0.40 1.19 0.00 0.04 0.00 0.00 177.00 179.46 3nsx s ALA 312 N -1.56 3.36 -0.14 8.56 0.00 -0.55 -5.00 121.76 126.44 3nsx s ALA 312 Ca 0.42 1.04 -0.02 0.00 0.00 0.00 0.00 51.96 53.40 3nsx s ALA 312 Cb -0.15 -3.40 0.05 0.00 0.00 0.00 0.00 23.12 19.62 3nsx s ALA 312 CO 0.20 -0.44 0.03 0.42 0.00 0.00 0.00 175.76 175.97 3nsx s ILE 313 N -1.23 0.38 0.17 0.00 1.01 -1.26 -4.89 121.20 115.38 3nsx s ILE 313 Ca 0.50 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.86 3nsx s ILE 313 Cb -0.34 -0.75 0.01 0.00 0.01 0.00 0.00 42.46 41.39 3nsx s ILE 313 CO 0.44 -0.01 1.57 -0.26 0.00 0.00 0.00 174.94 176.68 3nsx h PHE 314 N 8.30 1.09 -1.60 3.97 0.04 -1.25 -0.12 116.94 127.36 3nsx h PHE 314 Ca -0.17 -0.26 0.21 0.00 2.80 0.00 0.00 57.97 60.54 3nsx h PHE 314 Cb 1.13 -0.25 -0.19 0.00 2.20 0.00 0.00 35.95 38.83 3nsx h PHE 314 CO 0.36 1.07 0.74 1.52 -0.60 0.00 0.00 178.31 181.39 3nsx s TYR 315 N -4.65 -0.19 0.37 -0.55 -0.85 -1.24 -3.93 117.35 106.32 3nsx s TYR 315 Ca -0.11 0.16 0.07 0.00 -0.52 0.00 0.00 57.07 56.67 3nsx s TYR 315 Cb 0.12 0.51 -0.01 0.00 0.38 0.00 0.00 41.96 42.96 3nsx s TYR 315 CO 0.86 -0.27 0.43 -1.54 -1.52 0.00 0.00 175.55 173.52 3nsx s SER 316 N -2.03 5.55 0.26 -0.18 1.04 -1.26 -0.53 113.70 116.55 3nsx s SER 316 Ca 0.07 -0.43 -0.04 0.00 0.48 0.00 0.00 55.95 56.03 3nsx s SER 316 Cb -0.01 -0.90 0.34 0.00 0.10 0.00 0.00 66.02 65.56 3nsx s SER 316 CO -0.05 -0.54 1.92 0.28 0.98 0.00 0.00 173.24 175.83 3nsx h SER 317 N 0.94 1.08 -0.18 7.02 0.02 -1.98 -0.53 113.55 119.93 3nsx h SER 317 Ca -0.43 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 3nsx h SER 317 Cb 1.26 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 3nsx h SER 317 CO 0.53 0.75 0.02 -0.33 -1.14 0.00 0.00 176.83 176.67 3nsx h GLU 318 N 1.26 0.30 -0.62 3.45 3.07 -1.95 -2.30 114.58 117.79 3nsx h GLU 318 Ca 0.38 -0.08 -0.07 0.00 -0.50 0.00 0.00 59.36 59.09 3nsx h GLU 318 Cb -0.03 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.82 3nsx h GLU 318 CO -0.11 0.47 0.12 0.78 -1.40 0.00 0.00 179.01 178.87 3nsx h GLY 319 N 0.08 1.07 0.98 -3.84 0.00 -1.86 -1.66 103.07 97.84 3nsx h GLY 319 Ca 0.05 -0.67 -0.05 0.00 0.00 0.00 0.00 47.33 46.66 3nsx h GLY 319 CO 0.00 0.63 0.15 -2.00 0.00 0.00 0.00 176.54 175.32 3nsx h LEU 320 N 0.94 0.78 -0.59 3.11 5.85 -1.07 -0.57 115.31 123.76 3nsx h LEU 320 Ca 0.19 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3nsx h LEU 320 Cb 0.38 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3nsx h LEU 320 CO 0.01 0.79 0.31 0.00 -0.34 0.00 0.00 178.44 179.21 3nsx h ALA 321 N 1.01 0.76 -0.70 1.25 0.00 -1.09 -0.02 119.26 120.47 3nsx h ALA 321 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3nsx h ALA 321 Cb 0.30 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3nsx h ALA 321 CO -0.00 0.29 0.46 0.93 0.00 0.00 0.00 179.25 180.92 3nsx h GLU 322 N 0.80 0.93 -0.52 0.00 5.08 -1.08 -1.22 114.58 118.57 3nsx h GLU 322 Ca 0.21 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3nsx h GLU 322 Cb 0.07 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3nsx h GLU 322 CO -0.03 0.62 0.04 0.00 -1.00 0.00 0.00 179.01 178.64 3nsx h ALA 323 N 1.25 0.69 -0.48 3.43 0.00 -0.67 -1.29 119.26 122.19 3nsx h ALA 323 Ca 0.26 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3nsx h ALA 323 Cb -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3nsx h ALA 323 CO -0.05 0.47 -0.08 0.87 0.00 0.00 0.00 179.25 180.45 3nsx h LYS 324 N 0.76 0.87 -0.30 0.00 1.57 -0.80 0.32 116.57 119.00 3nsx h LYS 324 Ca 0.15 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3nsx h LYS 324 Cb 0.47 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3nsx h LYS 324 CO 0.02 0.92 0.17 1.49 -0.57 0.00 0.00 179.45 181.47 3nsx h GLU 325 N 0.78 0.42 -0.67 3.15 4.81 -0.99 -0.98 114.58 121.10 3nsx h GLU 325 Ca 0.13 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3nsx h GLU 325 Cb 0.59 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 3nsx h GLU 325 CO 0.04 0.36 0.25 0.35 -0.73 0.00 0.00 179.01 179.27 3nsx h PHE 326 N 0.37 1.04 -1.00 0.92 3.57 -1.02 -2.03 116.94 118.79 3nsx h PHE 326 Ca 0.11 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.57 3nsx h PHE 326 Cb 0.06 -0.31 -0.06 0.00 2.79 0.00 0.00 35.95 38.43 3nsx h PHE 326 CO -0.03 0.82 0.65 0.00 -2.23 0.00 0.00 178.31 177.52 3nsx h ALA 327 N 1.11 1.38 -0.55 2.41 0.00 -0.68 -0.12 119.26 122.79 3nsx h ALA 327 Ca 0.22 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3nsx h ALA 327 Cb 0.24 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3nsx h ALA 327 CO -0.01 0.50 0.08 0.78 0.00 0.00 0.00 179.25 180.60 3nsx h GLY 328 N 1.22 0.95 0.90 0.00 0.00 -0.73 0.19 103.07 105.61 3nsx h GLY 328 Ca 0.41 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 3nsx h GLY 328 CO -0.14 0.56 -0.02 0.83 0.00 0.00 0.00 176.54 177.77 3nsx h GLU 329 N 0.84 0.59 -0.60 4.80 5.08 -0.67 -2.64 114.58 121.98 3nsx h GLU 329 Ca 0.17 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3nsx h GLU 329 Cb 0.39 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3nsx h GLU 329 CO 0.01 0.73 0.38 0.35 -1.00 0.00 0.00 179.01 179.48 3nsx h PHE 330 N 0.38 0.78 -0.85 4.33 3.57 -0.79 -1.24 116.94 123.13 3nsx h PHE 330 Ca 0.09 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.66 3nsx h PHE 330 Cb 0.48 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 3nsx h PHE 330 CO 0.04 0.52 0.55 0.00 -2.23 0.00 0.00 178.31 177.19 3nsx h ALA 331 N 1.20 1.59 0.00 2.41 0.00 -0.86 -2.82 119.26 120.77 3nsx h ALA 331 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3nsx h ALA 331 Cb -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3nsx h ALA 331 CO -0.04 0.27 -0.78 1.63 0.00 0.00 0.00 179.25 180.33 3nsx n LYS 332 N -4.49 0.13 -1.97 0.00 5.02 -1.00 -4.92 118.16 110.93 3nsx n LYS 332 Ca 0.13 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 56.00 3nsx n LYS 332 Cb 0.22 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 3nsx n LYS 332 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3nsx s ASP 333 N -3.43 6.46 0.00 4.39 3.68 -0.50 -4.86 116.67 122.41 3nsx s ASP 333 Ca 0.08 2.08 0.11 0.00 2.13 0.00 0.00 52.55 56.95 3nsx s ASP 333 Cb 0.16 -2.53 0.23 0.00 -1.45 0.00 0.00 42.92 39.33 3nsx s ASP 333 CO 0.77 -1.12 1.12 0.35 0.13 0.00 0.00 175.17 176.41 3nsx n THR 334 N 5.94 0.62 -0.17 1.71 -2.24 -1.26 -4.65 114.28 114.23 3nsx n THR 334 Ca 0.19 -0.81 0.03 0.00 -2.27 0.00 0.00 64.05 61.19 3nsx n THR 334 Cb 0.43 0.78 0.08 0.00 -2.10 0.00 0.00 70.33 69.52 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 0.60 2.85 -1.88 -0.78 -0.58 -1.26 -4.97 120.64 114.61 3nsx n GLU 335 Ca 0.10 -1.82 -0.17 0.00 -0.42 0.00 0.00 57.16 54.85 3nsx n GLU 335 Cb 0.38 -1.17 -0.04 0.00 -0.57 0.00 0.00 31.44 30.05 3nsx n GLU 335 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3nsx n GLY 336 N -0.19 0.70 0.10 0.62 0.00 -1.26 -4.91 105.19 100.26 3nsx n GLY 336 Ca 0.06 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 3nsx n GLY 336 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3nsx h LYS 337 N 0.00 0.21 -4.51 1.61 3.64 -1.93 -3.41 116.57 112.18 3nsx h LYS 337 Ca -0.37 -0.09 -0.71 0.00 -1.27 0.00 0.00 60.65 58.21 3nsx h LYS 337 Cb 1.18 -0.01 -0.25 0.00 -0.41 0.00 0.00 32.23 32.75 3nsx h LYS 337 CO 0.48 0.57 -0.48 0.42 -2.27 0.00 0.00 179.45 178.17 3nsx s ILE 338 N -4.55 4.57 0.50 2.00 1.01 -1.26 -5.07 121.20 118.40 3nsx s ILE 338 Ca -0.15 -1.03 -0.20 0.00 0.00 0.00 0.00 60.65 59.27 3nsx s ILE 338 Cb 0.04 -3.64 -0.08 0.00 0.01 0.00 0.00 42.46 38.79 3nsx s ILE 338 CO 0.71 -0.36 1.06 -1.00 0.00 0.00 0.00 174.94 175.36 3nsx s HIS 339 N 1.53 2.93 0.39 3.97 3.76 -1.26 -4.93 115.29 121.68 3nsx s HIS 339 Ca 0.02 1.57 0.08 0.00 -0.15 0.00 0.00 55.06 56.59 3nsx s HIS 339 Cb -0.21 -3.11 0.85 0.00 1.11 0.00 0.00 32.58 31.21 3nsx s HIS 339 CO 0.05 -0.99 1.98 -1.35 -0.85 0.00 0.00 174.74 173.58 3nsx h PRO 340 N 1.47 0.60 0.00 8.40 0.11 -1.99 -0.44 132.00 140.16 3nsx h PRO 340 Ca -0.50 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 3nsx h PRO 340 Cb 1.23 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3nsx h PRO 340 CO 0.59 0.40 -0.28 0.11 -0.21 0.00 0.00 178.00 178.61 3nsx h TRP 341 N 0.62 0.00 -0.29 0.65 0.09 -1.99 -0.44 115.95 114.59 3nsx h TRP 341 Ca 0.28 0.00 -0.16 0.00 0.09 0.00 0.00 58.89 59.09 3nsx h TRP 341 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.53 3nsx h TRP 341 CO -0.00 0.28 -0.47 0.00 0.09 0.00 0.00 178.44 178.33 3nsx h ALA 342 N 1.72 0.61 -0.27 0.11 0.00 -1.46 -0.70 119.26 119.27 3nsx h ALA 342 Ca -0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 3nsx h ALA 342 Cb 0.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3nsx h ALA 342 CO 0.04 0.68 0.10 1.98 0.00 0.00 0.00 179.25 182.04 3nsx h MET 343 N 0.62 0.41 -0.71 0.00 1.85 -0.97 -1.72 114.93 114.41 3nsx h MET 343 Ca 0.03 -0.08 0.05 0.00 -0.61 0.00 0.00 59.70 59.09 3nsx h MET 343 Cb 1.05 -0.06 -0.05 0.00 0.43 0.00 0.00 31.60 32.96 3nsx h MET 343 CO 0.10 0.45 0.43 0.37 -0.40 0.00 0.00 176.91 177.86 3nsx h GLN 344 N 0.28 0.79 -0.70 0.39 4.15 -1.02 -2.44 115.11 116.55 3nsx h GLN 344 Ca 0.09 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.39 3nsx h GLN 344 Cb 0.20 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 3nsx h GLN 344 CO -0.01 0.52 0.17 0.00 -1.93 0.00 0.00 178.83 177.59 3nsx h ALA 345 N 1.34 0.98 -0.77 3.38 0.00 -0.93 -1.44 119.26 121.81 3nsx h ALA 345 Ca 0.30 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3nsx h ALA 345 Cb 0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3nsx h ALA 345 CO -0.15 0.66 0.35 -0.22 0.00 0.00 0.00 179.25 179.89 3nsx h LYS 346 N 1.06 1.12 -0.51 0.00 1.63 -0.98 0.71 116.57 119.61 3nsx h LYS 346 Ca 0.22 -0.17 -0.11 0.00 -0.85 0.00 0.00 60.65 59.74 3nsx h LYS 346 Cb 0.36 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 3nsx h LYS 346 CO 0.00 0.88 -0.12 0.52 -3.45 0.00 0.00 179.45 177.29 3nsx h MET 347 N 1.11 0.97 -0.19 1.90 2.86 -1.00 -2.51 114.93 118.06 3nsx h MET 347 Ca 0.26 -0.35 -0.09 0.00 -2.06 0.00 0.00 59.70 57.46 3nsx h MET 347 Cb 0.15 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3nsx h MET 347 CO -0.03 1.02 -0.28 -0.22 1.06 0.00 0.00 176.91 178.46 3nsx h LYS 348 N 0.86 0.37 0.00 1.72 3.64 -0.91 -3.22 116.57 119.03 3nsx h LYS 348 Ca 0.13 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3nsx h LYS 348 Cb 0.66 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3nsx h LYS 348 CO 0.05 0.63 0.00 -0.25 -2.27 0.00 0.00 179.45 177.60 3nsx n ASP 349 N -4.11 0.27 -0.14 4.20 8.00 0.21 -2.60 116.55 122.37 3nsx n ASP 349 Ca -0.01 0.54 0.14 0.00 0.71 0.00 0.00 54.79 56.17 3nsx n ASP 349 Cb 0.41 -0.60 0.59 0.00 -0.02 0.00 0.00 41.12 41.49 3nsx n ASP 349 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3nsx n ILE 350 N -1.76 0.00 -3.29 0.53 -5.35 -1.15 -4.40 119.36 103.93 3nsx n ILE 350 Ca 0.05 -0.07 -0.38 0.00 -0.27 0.00 0.00 62.75 62.08 3nsx n ILE 350 Cb 0.32 -0.02 -0.06 0.00 -1.74 0.00 0.00 39.64 38.14 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 -2.45 5.17 -1.49 7.28 1.01 -1.07 -4.05 120.40 124.80 3nsx s VAL 351 Ca 0.29 0.97 -0.02 0.00 0.00 0.00 0.00 61.98 63.22 3nsx s VAL 351 Cb 0.20 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.77 3nsx s VAL 351 CO 0.47 0.30 0.34 0.59 0.00 0.00 0.00 175.10 176.80 3nsx n ASN 352 N 3.87 -0.27 -4.71 3.32 3.02 -0.06 -4.86 115.26 115.56 3nsx n ASN 352 Ca -0.06 -1.09 -0.42 0.00 -0.03 0.00 0.00 54.58 52.98 3nsx n ASN 352 Cb 0.51 -2.58 -0.03 0.00 -0.61 0.00 0.00 39.78 37.08 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 -4.24 7.32 0.47 6.41 0.15 -1.26 -4.94 113.70 117.60 3nsx s SER 353 Ca 0.09 1.78 0.18 0.00 0.70 0.00 0.00 55.95 58.70 3nsx s SER 353 Cb -0.05 -2.58 1.16 0.00 -1.71 0.00 0.00 66.02 62.84 3nsx s SER 353 CO 0.93 -0.28 1.98 -0.65 1.20 0.00 0.00 173.24 176.42 3nsx h PRO 354 N 6.54 0.25 -0.62 5.44 0.11 -1.89 -0.69 132.00 141.14 3nsx h PRO 354 Ca -0.42 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 3nsx h PRO 354 Cb 1.22 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3nsx h PRO 354 CO 0.76 0.17 0.13 0.93 -0.21 0.00 0.00 178.00 179.78 3nsx h GLU 355 N 0.26 0.98 -0.39 1.05 5.08 -1.94 -2.76 114.58 116.87 3nsx h GLU 355 Ca 0.28 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 3nsx h GLU 355 Cb 0.73 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3nsx h GLU 355 CO -0.06 0.89 -0.17 -0.44 -1.00 0.00 0.00 179.01 178.22 3nsx h ASP 356 N 0.93 0.74 0.40 1.42 3.32 -1.53 -2.44 116.42 119.26 3nsx h ASP 356 Ca 0.20 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3nsx h ASP 356 Cb 0.36 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3nsx h ASP 356 CO 0.00 0.91 0.00 -1.22 -1.72 0.00 0.00 179.24 177.22 3nsx n TYR 357 N -4.14 0.24 0.74 4.55 4.01 -0.89 -0.92 117.16 120.75 3nsx n TYR 357 Ca 0.01 0.10 0.12 0.00 -0.16 0.00 0.00 57.90 57.97 3nsx n TYR 357 Cb 0.40 -0.66 0.18 0.00 -0.31 0.00 0.00 39.34 38.95 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 -1.72 2.36 0.00 -0.72 5.02 -0.93 -1.47 118.16 120.69 3nsx n LYS 358 Ca 0.02 -2.01 0.11 0.00 -2.02 0.00 0.00 58.31 54.41 3nsx n LYS 358 Cb 0.14 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.73 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 1.32 0.07 -4.26 1.97 1.74 -0.10 -4.90 116.66 112.51 3nsx n ARG 359 Ca 0.17 -0.05 -0.14 0.00 -0.77 0.00 0.00 57.85 57.05 3nsx n ARG 359 Cb 0.58 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.97 1.29 0.08 -1.55 -0.12 -1.25 -4.07 117.98 109.39 3nsx s PHE 360 Ca 0.10 -0.94 0.02 0.00 -0.05 0.00 0.00 56.93 56.06 3nsx s PHE 360 Cb 0.17 -0.72 -0.04 0.00 -0.63 0.00 0.00 43.02 41.80 3nsx s PHE 360 CO 0.77 -0.11 -0.08 0.71 -0.05 0.00 0.00 175.22 176.46 3nsx s TYR 361 N -3.54 0.87 0.06 3.49 2.02 -0.16 -0.69 117.35 119.39 3nsx s TYR 361 Ca 0.23 -0.74 0.04 0.00 -0.37 0.00 0.00 57.07 56.24 3nsx s TYR 361 Cb 0.05 -0.50 -0.04 0.00 -0.40 0.00 0.00 41.96 41.08 3nsx s TYR 361 CO 0.04 -0.10 -0.03 -1.01 -1.57 0.00 0.00 175.55 172.88 3nsx s HIS 362 N -2.71 2.94 -0.45 2.71 3.76 0.30 -3.10 115.29 118.75 3nsx s HIS 362 Ca 0.04 -0.03 -0.11 0.00 -0.15 0.00 0.00 55.06 54.81 3nsx s HIS 362 Cb -0.01 -1.56 0.09 0.00 1.11 0.00 0.00 32.58 32.21 3nsx s HIS 362 CO -0.02 0.44 0.33 1.21 -0.85 0.00 0.00 174.74 175.86 3nsx s ASN 363 N -1.97 5.83 -0.18 1.40 2.47 -1.26 -0.65 114.94 120.59 3nsx s ASN 363 Ca 0.22 -1.55 0.00 0.00 0.42 0.00 0.00 52.86 51.95 3nsx s ASN 363 Cb -0.11 -2.06 0.04 0.00 -1.45 0.00 0.00 41.25 37.66 3nsx s ASN 363 CO 0.14 -0.62 -0.10 -0.69 -3.72 0.00 0.00 177.10 172.11 3nsx s VAL 364 N 1.49 1.46 -1.13 -5.21 1.01 -0.00 -4.09 120.40 113.93 3nsx s VAL 364 Ca 0.04 -0.80 -0.32 0.00 0.00 0.00 0.00 61.98 60.89 3nsx s VAL 364 Cb -0.25 -1.53 0.05 0.00 0.00 0.00 0.00 36.38 34.65 3nsx s VAL 364 CO 0.03 0.23 0.63 -0.46 0.00 0.00 0.00 175.10 175.53 3nsx n ASN 365 N 4.76 -3.86 0.00 3.32 0.23 -1.26 -1.45 115.26 117.01 3nsx n ASN 365 Ca -0.14 -1.22 0.00 0.00 -0.53 0.00 0.00 54.58 52.68 3nsx n ASN 365 Cb 0.48 -1.48 0.00 0.00 -2.08 0.00 0.00 39.78 36.70 3nsx n ASN 365 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3nsx n GLY 366 N -2.03 0.48 3.46 4.83 0.00 -1.26 -4.97 105.19 105.70 3nsx n GLY 366 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 3nsx n GLY 366 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3nsx s LYS 367 N -0.57 2.64 -0.22 1.61 1.02 -0.53 -5.09 119.74 118.60 3nsx s LYS 367 Ca 0.00 -0.69 -0.19 0.00 0.02 0.00 0.00 55.97 55.11 3nsx s LYS 367 Cb 0.00 -2.42 -0.03 0.00 -0.52 0.00 0.00 37.83 34.86 3nsx s LYS 367 CO 0.00 0.56 0.53 0.15 -0.92 0.00 0.00 175.35 175.68 3nsx s LYS 368 N -0.57 4.16 -0.15 1.68 -0.14 -1.26 -0.82 119.74 122.63 3nsx s LYS 368 Ca 0.08 0.42 0.00 0.00 -1.36 0.00 0.00 55.97 55.11 3nsx s LYS 368 Cb -0.11 -3.59 -0.00 0.00 -1.68 0.00 0.00 37.83 32.44 3nsx s LYS 368 CO 0.01 -0.22 -0.15 0.42 -0.76 0.00 0.00 175.35 174.65 3nsx s ILE 369 N 1.88 2.72 0.29 2.17 1.01 0.18 -4.93 121.20 124.51 3nsx s ILE 369 Ca 0.24 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 59.84 3nsx s ILE 369 Cb -0.15 -2.15 -0.11 0.00 0.01 0.00 0.00 42.46 40.06 3nsx s ILE 369 CO 0.09 0.51 1.46 -0.60 0.00 0.00 0.00 174.94 176.41 3nsx s ARG 370 N 0.79 4.22 0.27 2.79 3.52 -1.26 -0.54 118.95 128.74 3nsx s ARG 370 Ca -0.06 2.39 -0.01 0.00 -0.13 0.00 0.00 55.73 57.93 3nsx s ARG 370 Cb -0.15 -3.06 0.49 0.00 -1.56 0.00 0.00 34.95 30.67 3nsx s ARG 370 CO 0.00 -0.45 1.83 1.25 -0.81 0.00 0.00 175.30 177.12 3nsx h HIS 371 N 4.44 1.05 -0.24 5.12 -0.00 -1.00 -1.24 115.15 123.27 3nsx h HIS 371 Ca -0.47 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.00 3nsx h HIS 371 Cb 1.22 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 28.29 3nsx h HIS 371 CO 0.58 0.42 0.18 0.38 -0.00 0.00 0.00 177.93 179.49 3nsx h ASP 372 N 0.93 0.00 1.00 3.26 2.03 -1.52 0.11 116.42 122.22 3nsx h ASP 372 Ca 0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.76 3nsx h ASP 372 Cb 0.43 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.93 3nsx h ASP 372 CO -0.26 0.00 0.00 0.11 -1.03 0.00 0.00 179.24 178.06 3nsx h LYS 373 N 0.00 0.00 0.00 4.15 1.57 -1.53 -3.17 116.57 117.58 3nsx h LYS 373 Ca 0.11 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 3nsx h LYS 373 Cb 0.47 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 32.58 3nsx h LYS 373 CO -0.00 0.00 -0.74 1.33 -0.57 0.00 0.00 179.45 179.47 3nsx n VAL 374 N -2.47 0.42 -0.30 0.50 0.24 0.15 -4.06 118.33 112.81 3nsx n VAL 374 Ca 0.03 -1.09 0.05 0.00 -2.04 0.00 0.00 64.34 61.28 3nsx n VAL 374 Cb 0.30 0.60 0.19 0.00 -1.47 0.00 0.00 33.84 33.47 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 0.64 0.89 0.00 6.34 6.17 -0.88 -1.67 115.15 126.64 3nsx h HIS 375 Ca -0.12 0.03 0.00 0.00 0.71 0.00 0.00 60.37 60.99 3nsx h HIS 375 Cb 1.57 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 31.23 3nsx h HIS 375 CO 0.22 0.33 0.00 0.09 0.71 0.00 0.00 177.93 179.28 3nsx n ASN 376 N -4.75 0.00 -0.21 3.26 3.02 -0.87 -2.59 115.26 113.12 3nsx n ASN 376 Ca 0.15 -0.61 0.11 0.00 -0.03 0.00 0.00 54.58 54.21 3nsx n ASN 376 Cb 0.32 -0.02 0.05 0.00 -0.61 0.00 0.00 39.78 39.53 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 -1.02 1.28 0.27 3.41 4.77 -0.63 -4.35 117.00 120.74 3nsx n LEU 377 Ca 0.15 -0.48 -0.15 0.00 -0.03 0.00 0.00 56.01 55.50 3nsx n LEU 377 Cb 0.08 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 3nsx n LEU 377 CO 0.12 0.27 0.58 0.15 -1.33 0.00 0.00 177.39 177.17 3nsx h PHE 378 N 1.02 -0.63 -0.59 -1.77 3.57 -1.65 -1.07 116.94 115.82 3nsx h PHE 378 Ca 0.00 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 3nsx h PHE 378 Cb 0.59 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 3nsx h PHE 378 CO 0.00 -0.32 0.12 0.78 -2.23 0.00 0.00 178.31 176.66 3nsx h GLY 379 N -0.86 1.03 -0.16 2.40 0.00 -1.67 -0.96 103.07 102.84 3nsx h GLY 379 Ca -0.07 -0.66 0.09 0.00 0.00 0.00 0.00 47.33 46.69 3nsx h GLY 379 CO 0.11 0.62 -0.28 -1.82 0.00 0.00 0.00 176.54 175.17 3nsx h TYR 380 N 0.86 -0.76 0.00 5.60 3.20 -1.69 -1.94 116.97 122.25 3nsx h TYR 380 Ca 0.18 0.06 -0.11 0.00 3.14 0.00 0.00 58.73 62.00 3nsx h TYR 380 Cb 0.38 0.40 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 3nsx h TYR 380 CO 0.03 -0.35 -0.53 -0.91 -1.64 0.00 0.00 178.16 174.76 3nsx h ASN 381 N -0.19 0.00 -0.53 -2.11 2.35 -0.65 -0.31 115.58 114.14 3nsx h ASN 381 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3nsx h ASN 381 Cb 0.51 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 3nsx h ASN 381 CO -0.55 0.53 0.34 -0.03 -1.65 0.00 0.00 177.43 176.07 3nsx h MET 382 N 0.00 0.70 -0.05 0.81 4.05 -0.94 -0.22 114.93 119.28 3nsx h MET 382 Ca -0.01 -0.05 -0.19 0.00 -0.28 0.00 0.00 59.70 59.18 3nsx h MET 382 Cb 1.20 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.84 3nsx h MET 382 CO 0.07 0.48 -0.77 1.15 0.23 0.00 0.00 176.91 178.06 3nsx h THR 383 N 0.71 1.40 -0.90 -0.77 2.02 -1.05 -2.61 112.91 111.72 3nsx h THR 383 Ca 0.19 -2.25 0.02 0.00 0.77 0.00 0.00 66.41 65.15 3nsx h THR 383 Cb -0.06 2.20 -0.05 0.00 -1.74 0.00 0.00 68.15 68.50 3nsx h THR 383 CO -0.04 0.67 0.59 -0.09 0.37 0.00 0.00 175.52 177.02 3nsx h ARG 384 N 0.23 1.14 -0.48 6.66 2.43 -0.98 0.05 114.38 123.41 3nsx h ARG 384 Ca -0.04 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3nsx h ARG 384 Cb 1.35 -0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 30.60 3nsx h ARG 384 CO 0.13 0.75 0.22 0.00 -1.51 0.00 0.00 179.97 179.56 3nsx h ALA 385 N 1.35 0.61 -0.06 2.80 0.00 -0.67 0.12 119.26 123.42 3nsx h ALA 385 Ca 0.35 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3nsx h ALA 385 Cb -0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3nsx h ALA 385 CO -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.00 3nsx h ALA 386 N 1.28 0.08 -0.53 0.00 0.00 -1.17 -2.28 119.26 116.64 3nsx h ALA 386 Ca 0.22 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3nsx h ALA 386 Cb 0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3nsx h ALA 386 CO -0.18 -0.26 0.32 0.78 0.00 0.00 0.00 179.25 179.92 3nsx h GLY 387 N -0.19 0.75 1.61 0.00 0.00 -0.67 -0.61 103.07 103.96 3nsx h GLY 387 Ca 0.02 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 3nsx h GLY 387 CO 0.00 0.22 -0.10 0.83 0.00 0.00 0.00 176.54 177.49 3nsx h GLU 388 N 0.65 0.48 -0.46 4.80 5.08 -0.78 -2.17 114.58 122.18 3nsx h GLU 388 Ca 0.21 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 3nsx h GLU 388 Cb 0.00 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3nsx h GLU 388 CO -0.08 0.58 -0.18 0.00 -1.00 0.00 0.00 179.01 178.33 3nsx h ALA 389 N 1.45 0.82 -0.74 3.43 0.00 -0.75 -2.38 119.26 121.10 3nsx h ALA 389 Ca 0.09 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3nsx h ALA 389 Cb 0.45 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3nsx h ALA 389 CO 0.02 0.65 0.44 0.74 0.00 0.00 0.00 179.25 181.10 3nsx h PHE 390 N 0.78 0.99 -0.37 0.00 0.04 -0.68 -0.27 116.94 117.44 3nsx h PHE 390 Ca 0.11 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 3nsx h PHE 390 Cb 0.72 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 3nsx h PHE 390 CO 0.04 0.68 0.13 0.93 -0.60 0.00 0.00 178.31 179.49 3nsx h GLU 391 N 1.02 0.52 -0.01 1.51 4.39 -1.19 -0.31 114.58 120.52 3nsx h GLU 391 Ca 0.27 -0.07 -0.26 0.00 0.34 0.00 0.00 59.36 59.63 3nsx h GLU 391 Cb -0.01 -0.10 0.02 0.00 -0.10 0.00 0.00 28.75 28.56 3nsx h GLU 391 CO -0.05 0.45 -1.03 0.00 -1.16 0.00 0.00 179.01 177.23 3nsx h ARG 392 N 0.52 0.70 -0.19 2.33 3.08 -0.91 -3.03 114.38 116.87 3nsx h ARG 392 Ca 0.13 -0.74 -0.05 0.00 0.07 0.00 0.00 59.98 59.39 3nsx h ARG 392 Cb 0.14 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3nsx h ARG 392 CO -0.01 1.31 -0.08 0.82 -1.07 0.00 0.00 179.97 180.94 3nsx h ILE 393 N 0.40 1.31 -1.17 2.04 2.04 -0.74 -3.42 117.51 117.96 3nsx h ILE 393 Ca -0.12 -1.13 -0.18 0.00 1.00 0.00 0.00 64.86 64.43 3nsx h ILE 393 Cb 1.68 1.65 -0.19 0.00 -0.74 0.00 0.00 36.82 39.22 3nsx h ILE 393 CO 0.20 0.34 -0.54 -0.62 0.00 0.00 0.00 178.15 177.53 3nsx s ASP 394 N -6.04 -1.08 0.54 1.72 -1.08 -0.15 -5.03 116.67 105.54 3nsx s ASP 394 Ca -0.14 -1.66 0.24 0.00 -0.52 0.00 0.00 52.55 50.47 3nsx s ASP 394 Cb 0.06 1.64 1.42 0.00 -1.46 0.00 0.00 42.92 44.58 3nsx s ASP 394 CO 0.75 -0.09 2.04 -0.65 0.52 0.00 0.00 175.17 177.73 3nsx h PRO 395 N 5.55 0.00 -0.18 4.34 0.11 -1.66 -2.22 132.00 137.94 3nsx h PRO 395 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3nsx h PRO 395 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3nsx h PRO 395 CO 0.07 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.25 3nsx n GLU 396 N -4.29 2.19 -4.36 1.05 -0.58 -1.26 -4.91 120.64 108.48 3nsx n GLU 396 Ca 0.06 -1.76 -0.34 0.00 -0.42 0.00 0.00 57.16 54.70 3nsx n GLU 396 Cb 0.47 -1.47 -0.11 0.00 -0.57 0.00 0.00 31.44 29.76 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 -1.79 3.49 -0.01 3.49 2.20 -0.84 -2.59 119.74 123.70 3nsx s LYS 397 Ca 0.34 -0.47 -0.27 0.00 -0.36 0.00 0.00 55.97 55.21 3nsx s LYS 397 Cb 0.21 -2.90 -0.04 0.00 -1.51 0.00 0.00 37.83 33.58 3nsx s LYS 397 CO 0.30 0.38 0.83 1.03 -0.36 0.00 0.00 175.35 177.54 3nsx s ARG 398 N -0.01 4.51 0.01 4.03 0.52 -0.79 -4.95 118.95 122.27 3nsx s ARG 398 Ca 0.02 1.15 0.04 0.00 -0.52 0.00 0.00 55.73 56.41 3nsx s ARG 398 Cb -0.13 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 31.87 3nsx s ARG 398 CO 0.02 0.07 -0.08 -0.06 0.02 0.00 0.00 175.30 175.27 3nsx s PHE 399 N 0.69 2.86 0.10 -0.53 0.08 -1.26 -4.54 117.98 115.38 3nsx s PHE 399 Ca 0.44 -0.06 -0.31 0.00 0.12 0.00 0.00 56.93 57.12 3nsx s PHE 399 Cb -0.20 -1.59 -0.07 0.00 -0.57 0.00 0.00 43.02 40.59 3nsx s PHE 399 CO 0.23 0.36 1.24 -1.17 -0.10 0.00 0.00 175.22 175.79 3nsx s LEU 400 N -1.44 4.39 -0.22 -0.37 2.96 -0.76 -4.54 118.68 118.70 3nsx s LEU 400 Ca 0.17 2.14 -0.10 0.00 -0.22 0.00 0.00 54.13 56.12 3nsx s LEU 400 Cb -0.11 -3.59 0.09 0.00 0.50 0.00 0.00 46.19 43.08 3nsx s LEU 400 CO 0.08 -0.48 0.50 -0.32 -1.32 0.00 0.00 176.35 174.80 3nsx s MET 401 N 0.73 0.45 0.12 1.98 -2.45 -1.25 -0.71 119.30 118.17 3nsx s MET 401 Ca 0.58 1.06 -0.10 0.00 -1.25 0.00 0.00 55.69 55.99 3nsx s MET 401 Cb -0.32 0.27 0.00 0.00 1.25 0.00 0.00 34.83 36.04 3nsx s MET 401 CO 0.31 -0.20 0.25 -0.59 1.05 0.00 0.00 175.02 175.84 3nsx s PHE 402 N 2.12 0.19 0.06 4.11 -0.71 -1.14 -0.88 117.98 121.73 3nsx s PHE 402 Ca -0.06 -0.59 0.02 0.00 -1.04 0.00 0.00 56.93 55.26 3nsx s PHE 402 Cb -0.10 -0.02 -0.03 0.00 -1.21 0.00 0.00 43.02 41.66 3nsx s PHE 402 CO -0.15 -0.62 -0.07 0.45 -1.34 0.00 0.00 175.22 173.49 3nsx s SER 403 N -2.89 0.91 -0.11 1.98 0.15 -0.16 -1.04 113.70 112.54 3nsx s SER 403 Ca 0.09 -0.77 -0.04 0.00 0.70 0.00 0.00 55.95 55.92 3nsx s SER 403 Cb 0.04 0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.40 3nsx s SER 403 CO -0.08 -0.35 0.03 -0.09 1.20 0.00 0.00 173.24 173.95 3nsx h ARG 404 N 3.76 0.00 -6.72 5.44 2.43 -1.68 -3.00 114.38 114.61 3nsx h ARG 404 Ca -0.35 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.32 3nsx h ARG 404 Cb 1.18 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 3nsx h ARG 404 CO 0.53 0.09 0.11 -1.12 -1.51 0.00 0.00 179.97 178.07 3nsx s SER 405 N -5.66 6.82 0.20 -3.80 0.01 -1.26 -4.58 113.70 105.43 3nsx s SER 405 Ca -0.05 1.31 -0.23 0.00 1.31 0.00 0.00 55.95 58.29 3nsx s SER 405 Cb 0.00 -2.39 0.05 0.00 0.21 0.00 0.00 66.02 63.90 3nsx s SER 405 CO 0.10 -0.18 0.79 -0.94 0.41 0.00 0.00 173.24 173.42 3nsx s SER 406 N -2.18 -0.29 0.01 2.44 1.04 -1.22 -4.05 113.70 109.44 3nsx s SER 406 Ca 0.53 -0.40 -0.13 0.00 0.48 0.00 0.00 55.95 56.43 3nsx s SER 406 Cb -0.11 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.63 3nsx s SER 406 CO 0.18 -1.09 0.28 -0.47 0.98 0.00 0.00 173.24 173.12 3nsx s TYR 407 N -3.63 -0.11 0.28 5.02 5.04 -1.26 -1.29 117.35 121.39 3nsx s TYR 407 Ca 0.09 0.08 -0.30 0.00 -2.44 0.00 0.00 57.07 54.50 3nsx s TYR 407 Cb -0.03 0.07 -0.12 0.00 0.35 0.00 0.00 41.96 42.23 3nsx s TYR 407 CO 0.01 -0.42 1.58 -0.89 -1.34 0.00 0.00 175.55 174.49 3nsx n ILE 408 N 1.00 0.93 0.00 3.14 5.41 -1.25 -1.22 119.36 127.37 3nsx n ILE 408 Ca -0.20 -0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.31 3nsx n ILE 408 Cb 0.57 -1.89 0.00 0.00 -0.71 0.00 0.00 39.64 37.61 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 2.30 3.00 0.27 7.39 0.00 -1.26 -4.42 105.19 112.48 3nsx n GLY 409 Ca 0.10 -1.09 0.16 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.49 -2.86 114.93 110.66 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 0.05 0.01 1.12 0.14 0.00 0.00 176.91 178.23 3nsx h HIS 411 N 0.00 0.00 0.00 1.39 -0.00 -1.77 0.21 115.15 114.97 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 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.89 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 0.23 114.38 121.10 3nsx h ARG 412 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3nsx h ARG 412 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 3nsx h ARG 412 CO 0.00 0.00 -1.27 0.66 -1.07 0.00 0.00 179.97 178.29 3nsx n TYR 413 N -3.01 0.00 -3.63 3.04 4.01 0.04 -3.78 117.16 113.83 3nsx n TYR 413 Ca 0.03 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.74 3nsx n TYR 413 Cb 0.44 -0.14 -0.01 0.00 -0.31 0.00 0.00 39.34 39.32 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 -2.72 -0.35 0.00 2.72 0.00 -1.09 -4.69 107.32 101.20 3nsx s GLY 414 Ca -0.02 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.46 3nsx s GLY 414 CO 0.24 0.20 0.00 0.61 0.00 0.00 0.00 173.10 174.15 3nsx n GLY 415 N -0.36 0.57 3.07 0.20 0.00 -0.06 -4.42 105.19 104.18 3nsx n GLY 415 Ca -0.06 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 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 0.36 0.01 -0.61 -4.36 -0.90 -0.99 121.20 115.17 3nsx s ILE 416 Ca 0.00 -1.40 0.07 0.00 -0.26 0.00 0.00 60.65 59.06 3nsx s ILE 416 Cb 0.00 -0.97 -0.02 0.00 1.25 0.00 0.00 42.46 42.72 3nsx s ILE 416 CO 0.00 -0.68 -0.20 -1.66 0.24 0.00 0.00 174.94 172.64 3nsx s TRP 417 N -2.54 1.76 -0.51 1.37 -2.14 -1.13 -3.13 118.94 112.61 3nsx s TRP 417 Ca -0.03 -0.35 -0.24 0.00 2.66 0.00 0.00 56.10 58.15 3nsx s TRP 417 Cb -0.02 -1.09 0.04 0.00 -3.10 0.00 0.00 33.47 29.30 3nsx s TRP 417 CO -0.04 0.03 0.87 -1.64 -2.66 0.00 0.00 176.95 173.51 3nsx s MET 418 N -0.81 3.35 0.82 3.25 -1.94 -0.54 -4.71 119.30 118.73 3nsx s MET 418 Ca 0.07 -0.24 -0.12 0.00 -1.71 0.00 0.00 55.69 53.69 3nsx s MET 418 Cb -0.08 -4.02 0.09 0.00 2.01 0.00 0.00 34.83 32.83 3nsx s MET 418 CO 0.00 -1.35 1.15 0.20 -0.01 0.00 0.00 175.02 175.01 3nsx s GLY 419 N 2.60 1.59 0.09 -0.03 0.00 -1.26 -1.13 107.32 109.19 3nsx s GLY 419 Ca 0.30 -0.53 -0.25 0.00 0.00 0.00 0.00 44.72 44.23 3nsx s GLY 419 CO 0.20 -0.04 0.67 0.00 0.00 0.00 0.00 173.10 173.93 3nsx s ALA 420 N -3.42 -1.67 -0.03 3.20 0.00 -1.26 -4.81 121.76 113.76 3nsx s ALA 420 Ca 0.62 0.73 -0.06 0.00 0.00 0.00 0.00 51.96 53.24 3nsx s ALA 420 Cb -0.12 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.61 3nsx s ALA 420 CO 0.51 -0.69 -0.13 0.09 0.00 0.00 0.00 175.76 175.55 3nsx n ASN 421 N -0.15 1.19 -4.86 0.00 4.13 -1.26 -4.35 115.26 109.97 3nsx n ASN 421 Ca -0.16 0.18 -0.33 0.00 1.68 0.00 0.00 54.58 55.95 3nsx n ASN 421 Cb 0.63 -0.43 -0.06 0.00 -1.54 0.00 0.00 39.78 38.39 3nsx n ASN 421 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3nsx s LYS 422 N -2.28 3.89 -0.70 3.52 -0.14 -1.26 -2.25 119.74 120.51 3nsx s LYS 422 Ca -0.12 0.40 -0.23 0.00 -1.36 0.00 0.00 55.97 54.66 3nsx s LYS 422 Cb 0.03 -2.74 0.07 0.00 -1.68 0.00 0.00 37.83 33.51 3nsx s LYS 422 CO 0.16 0.37 1.04 -1.12 -0.76 0.00 0.00 175.35 175.03 3nsx s SER 423 N -2.10 6.22 -0.04 2.83 0.01 -1.26 -4.28 113.70 115.08 3nsx s SER 423 Ca 0.44 -1.03 0.04 0.00 1.31 0.00 0.00 55.95 56.72 3nsx s SER 423 Cb -0.13 -2.44 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 3nsx s SER 423 CO 0.20 -1.46 -0.16 0.26 0.41 0.00 0.00 173.24 172.49 3nsx s TRP 424 N 4.19 2.64 0.39 2.43 0.51 -1.26 -4.83 118.94 123.02 3nsx s TRP 424 Ca 0.25 -0.20 0.08 0.00 -2.12 0.00 0.00 56.10 54.12 3nsx s TRP 424 Cb -0.14 -1.60 0.84 0.00 -0.81 0.00 0.00 33.47 31.75 3nsx s TRP 424 CO 0.08 0.16 1.98 -1.49 -0.51 0.00 0.00 176.95 177.17 3nsx h TRP 425 N 5.33 0.63 0.00 -1.98 4.06 -1.95 -1.88 115.95 120.15 3nsx h TRP 425 Ca -0.46 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.49 3nsx h TRP 425 Cb 1.15 -0.21 -0.00 0.00 -1.00 0.00 0.00 29.16 29.10 3nsx h TRP 425 CO 0.48 0.34 -0.05 0.66 -3.56 0.00 0.00 178.44 176.31 3nsx h SER 426 N 0.63 0.00 -0.06 -3.49 4.64 -1.95 -1.85 113.55 111.47 3nsx h SER 426 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3nsx h SER 426 Cb 0.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3nsx h SER 426 CO -0.08 0.05 0.04 0.45 -0.87 0.00 0.00 176.83 176.41 3nsx h HIS 427 N 0.00 0.08 0.29 4.77 3.86 -1.73 -2.25 115.15 120.17 3nsx h HIS 427 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3nsx h HIS 427 Cb 0.13 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.57 3nsx h HIS 427 CO 0.00 0.05 -0.14 0.82 0.86 0.00 0.00 177.93 179.52 3nsx h ILE 428 N 0.08 0.72 -0.73 2.45 2.04 -1.49 -1.82 117.51 118.76 3nsx h ILE 428 Ca 0.02 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 3nsx h ILE 428 Cb -0.01 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3nsx h ILE 428 CO -0.00 0.12 0.23 0.25 0.00 0.00 0.00 178.15 178.74 3nsx h LEU 429 N -0.74 1.06 -0.35 1.44 5.85 -1.68 -1.48 115.31 119.42 3nsx h LEU 429 Ca -0.04 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.51 3nsx h LEU 429 Cb 0.49 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3nsx h LEU 429 CO 0.07 0.99 0.14 0.25 -0.34 0.00 0.00 178.44 179.54 3nsx h LEU 430 N 1.08 0.17 -0.64 2.25 5.85 -1.41 -0.56 115.31 122.06 3nsx h LEU 430 Ca 0.24 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.86 3nsx h LEU 430 Cb 0.31 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3nsx h LEU 430 CO -0.01 0.14 -0.32 0.78 -0.34 0.00 0.00 178.44 178.68 3nsx h ASN 431 N 0.30 0.74 -0.22 1.25 2.35 -1.10 -2.26 115.58 116.63 3nsx h ASN 431 Ca 0.15 -0.30 0.03 0.00 -0.55 0.00 0.00 56.30 55.63 3nsx h ASN 431 Cb 0.11 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 3nsx h ASN 431 CO -0.14 1.01 0.05 0.25 -1.65 0.00 0.00 177.43 176.94 3nsx h LEU 432 N 0.60 0.02 -1.36 1.61 5.85 -0.84 -2.72 115.31 118.47 3nsx h LEU 432 Ca 0.07 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 3nsx h LEU 432 Cb 0.84 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3nsx h LEU 432 CO 0.07 0.04 0.02 0.11 -0.34 0.00 0.00 178.44 178.35 3nsx h LYS 433 N 0.14 0.45 0.00 1.25 1.57 -0.87 -2.66 116.57 116.44 3nsx h LYS 433 Ca 0.10 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 3nsx h LYS 433 Cb 0.09 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3nsx h LYS 433 CO -0.13 0.46 -0.35 0.52 -0.57 0.00 0.00 179.45 179.38 3nsx h MET 434 N 0.43 0.00 -0.16 3.15 2.86 -1.10 -3.35 114.93 116.76 3nsx h MET 434 Ca 0.10 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.79 3nsx h MET 434 Cb 0.25 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.86 3nsx h MET 434 CO 0.00 0.35 -0.19 -0.07 1.06 0.00 0.00 176.91 178.06 3nsx h LEU 435 N 0.00 -0.60 -0.85 1.22 3.38 -1.28 -0.41 115.31 116.77 3nsx h LEU 435 Ca -0.00 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3nsx h LEU 435 Cb 0.74 0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 3nsx h LEU 435 CO 0.05 -0.24 0.26 1.55 0.09 0.00 0.00 178.44 180.15 3nsx h PRO 436 N -0.22 1.11 -0.80 1.13 0.13 -1.76 -1.88 132.00 129.70 3nsx h PRO 436 Ca 0.11 -0.21 -0.04 0.00 -0.87 0.00 0.00 66.00 64.98 3nsx h PRO 436 Cb 0.39 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 31.31 3nsx h PRO 436 CO -0.30 0.92 0.33 0.77 -0.23 0.00 0.00 178.00 179.49 3nsx h SER 437 N 1.07 1.10 -0.63 1.44 0.02 -1.59 -0.94 113.55 114.03 3nsx h SER 437 Ca 0.24 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3nsx h SER 437 Cb 0.25 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 3nsx h SER 437 CO -0.01 0.97 0.40 -0.07 -1.14 0.00 0.00 176.83 176.98 3nsx h LEU 438 N 1.17 0.67 -1.09 5.07 3.38 -0.82 -2.63 115.31 121.06 3nsx h LEU 438 Ca 0.27 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 3nsx h LEU 438 Cb 0.21 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3nsx h LEU 438 CO -0.02 0.48 0.31 0.78 0.09 0.00 0.00 178.44 180.07 3nsx h ASN 439 N 0.80 0.86 0.03 -0.43 2.35 -0.51 -1.04 115.58 117.64 3nsx h ASN 439 Ca 0.24 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 3nsx h ASN 439 Cb -0.04 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.11 3nsx h ASN 439 CO -0.08 0.74 -0.03 0.24 -1.65 0.00 0.00 177.43 176.65 3nsx h MET 440 N 0.94 0.00 -0.39 0.81 2.86 -0.84 -2.46 114.93 115.86 3nsx h MET 440 Ca 0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3nsx h MET 440 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3nsx h MET 440 CO -0.03 0.03 0.00 0.00 1.06 0.00 0.00 176.91 177.97 3nsx n GLY 442 N 1.48 0.69 3.43 0.00 0.00 -0.93 -4.81 105.19 105.06 3nsx n GLY 442 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.14 2.89 -0.19 1.61 0.08 -0.48 -4.69 117.98 115.06 3nsx s PHE 443 Ca 0.00 -0.89 0.10 0.00 0.12 0.00 0.00 56.93 56.26 3nsx s PHE 443 Cb 0.00 -4.21 -0.19 0.00 -0.57 0.00 0.00 43.02 38.06 3nsx s PHE 443 CO 0.00 -1.50 -0.04 -1.33 -0.10 0.00 0.00 175.22 172.24 3nsx n MET 444 N 6.98 0.90 -2.66 0.44 2.81 -1.26 -3.35 117.12 120.99 3nsx n MET 444 Ca 0.01 0.05 -0.42 0.00 -1.81 0.00 0.00 57.70 55.53 3nsx n MET 444 Cb 0.45 -1.45 -0.03 0.00 -0.71 0.00 0.00 33.22 31.49 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 -2.43 2.69 0.09 2.03 5.04 -1.26 -4.67 117.35 118.84 3nsx s TYR 445 Ca -0.17 -1.00 -0.01 0.00 -2.44 0.00 0.00 57.07 53.45 3nsx s TYR 445 Cb 0.06 -4.59 -0.04 0.00 0.35 0.00 0.00 41.96 37.75 3nsx s TYR 445 CO 0.64 -1.82 0.01 0.95 -1.34 0.00 0.00 175.55 174.00 3nsx s THR 446 N 4.34 0.17 0.12 4.34 -4.23 -1.26 -2.12 115.64 117.00 3nsx s THR 446 Ca 0.42 -1.86 -0.20 0.00 -1.18 0.00 0.00 61.69 58.87 3nsx s THR 446 Cb -0.01 -1.79 0.07 0.00 1.34 0.00 0.00 72.50 72.10 3nsx s THR 446 CO -0.10 -0.72 0.94 0.61 -0.54 0.00 0.00 174.62 174.81 3nsx n GLY 447 N 0.00 0.61 3.23 3.99 0.00 -1.18 -1.92 105.19 109.92 3nsx n GLY 447 Ca -0.10 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.89 1.32 0.13 4.61 0.00 -1.26 -1.46 121.76 123.21 3nsx s ALA 448 Ca 0.21 -1.47 0.05 0.00 0.00 0.00 0.00 51.96 50.74 3nsx s ALA 448 Cb -0.02 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 3nsx s ALA 448 CO 0.04 -0.17 0.08 -0.51 0.00 0.00 0.00 175.76 175.20 3nsx s ASP 449 N -3.14 5.34 0.02 0.00 -0.00 -0.28 -4.69 116.67 113.93 3nsx s ASP 449 Ca 0.17 -0.14 -0.05 0.00 -0.00 0.00 0.00 52.55 52.53 3nsx s ASP 449 Cb 0.04 -1.36 -0.29 0.00 -0.00 0.00 0.00 42.92 41.32 3nsx s ASP 449 CO -0.00 0.12 0.95 0.25 -0.00 0.00 0.00 175.17 176.48 3nsx h LEU 450 N 2.86 0.45 0.00 1.23 5.85 -1.88 -3.40 115.31 120.41 3nsx h LEU 450 Ca -0.47 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 57.69 3nsx h LEU 450 Cb 1.18 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3nsx h LEU 450 CO 0.63 1.46 0.00 0.61 -0.34 0.00 0.00 178.44 180.79 3nsx n GLY 451 N 1.64 0.94 0.00 3.75 0.00 -1.26 -3.98 105.19 106.27 3nsx n GLY 451 Ca -0.14 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3nsx n GLY 451 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nsx n GLY 452 N 0.00 0.61 3.77 -0.02 0.00 -1.11 -1.60 105.19 106.85 3nsx n GLY 452 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3nsx n GLY 452 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3nsx s PHE 453 N -2.00 2.57 0.00 1.61 2.19 -0.95 -3.64 117.98 117.75 3nsx s PHE 453 Ca 0.00 1.27 0.00 0.00 0.33 0.00 0.00 56.93 58.53 3nsx s PHE 453 Cb 0.00 -3.90 0.00 0.00 -1.31 0.00 0.00 43.02 37.81 3nsx s PHE 453 CO 0.00 -2.79 0.00 0.41 1.83 0.00 0.00 175.22 174.67 3nsx n GLY 454 N 0.57 2.70 1.04 13.12 0.00 -0.16 -2.88 105.19 119.58 3nsx n GLY 454 Ca 0.04 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 0.45 3.90 0.01 1.61 8.00 -1.26 -1.24 116.55 128.02 3nsx n ASP 455 Ca 0.00 -2.56 0.10 0.00 0.71 0.00 0.00 54.79 53.05 3nsx n ASP 455 Cb 0.00 -0.46 0.45 0.00 -0.02 0.00 0.00 41.12 41.09 3nsx n ASP 455 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3nsx n ASP 456 N 0.27 0.03 -4.49 -2.24 10.43 -1.14 -4.48 116.55 114.93 3nsx n ASP 456 Ca 0.20 0.51 -0.42 0.00 2.57 0.00 0.00 54.79 57.64 3nsx n ASP 456 Cb 0.76 -0.51 -0.03 0.00 1.84 0.00 0.00 41.12 43.18 3nsx n ASP 456 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3nsx s THR 457 N -3.01 4.22 0.64 -3.53 2.01 -1.26 -4.80 115.64 109.91 3nsx s THR 457 Ca 0.10 -0.56 -0.12 0.00 0.31 0.00 0.00 61.69 61.43 3nsx s THR 457 Cb 0.14 -4.82 -0.02 0.00 0.01 0.00 0.00 72.50 67.80 3nsx s THR 457 CO 0.39 -1.64 1.04 0.42 -0.69 0.00 0.00 174.62 174.14 3nsx s THR 458 N 4.26 4.38 0.19 -0.82 -4.23 -1.26 -4.88 115.64 113.27 3nsx s THR 458 Ca 0.32 0.82 -0.15 0.00 -1.18 0.00 0.00 61.69 61.49 3nsx s THR 458 Cb -0.09 -3.65 0.16 0.00 1.34 0.00 0.00 72.50 70.27 3nsx s THR 458 CO 0.03 -0.97 1.65 -0.09 -0.54 0.00 0.00 174.62 174.70 3nsx h ARG 459 N -0.35 -0.01 -0.09 3.99 2.43 -1.97 -1.81 114.38 116.58 3nsx h ARG 459 Ca -0.44 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.58 3nsx h ARG 459 Cb 1.20 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 3nsx h ARG 459 CO 0.60 -0.00 -0.57 0.38 -1.51 0.00 0.00 179.97 178.86 3nsx h ASP 460 N -0.01 0.32 -0.27 -3.80 2.03 -1.99 -1.31 116.42 111.40 3nsx h ASP 460 Ca 0.25 -0.18 -0.02 0.00 -0.73 0.00 0.00 57.03 56.35 3nsx h ASP 460 Cb 0.38 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 38.78 3nsx h ASP 460 CO -0.53 0.83 0.08 0.25 -1.03 0.00 0.00 179.24 178.84 3nsx h LEU 461 N 0.22 0.39 -0.74 0.15 5.85 -1.82 -1.43 115.31 117.94 3nsx h LEU 461 Ca -0.00 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 3nsx h LEU 461 Cb 1.07 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 3nsx h LEU 461 CO 0.09 0.49 0.40 0.25 -0.34 0.00 0.00 178.44 179.34 3nsx h LEU 462 N 0.27 0.92 -0.54 2.25 5.85 -1.18 -0.43 115.31 122.46 3nsx h LEU 462 Ca 0.09 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3nsx h LEU 462 Cb 0.24 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3nsx h LEU 462 CO -0.00 0.76 0.24 -0.07 -0.34 0.00 0.00 178.44 179.03 3nsx h LEU 463 N 1.02 0.72 -0.59 2.25 3.38 -1.05 0.11 115.31 121.15 3nsx h LEU 463 Ca 0.26 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3nsx h LEU 463 Cb 0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3nsx h LEU 463 CO -0.04 0.66 -0.30 0.03 0.09 0.00 0.00 178.44 178.88 3nsx h ARG 464 N 0.72 0.80 -0.50 1.13 2.47 -1.06 -1.67 114.38 116.27 3nsx h ARG 464 Ca 0.18 -0.37 -0.00 0.00 -1.26 0.00 0.00 59.98 58.53 3nsx h ARG 464 Cb 0.15 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 3nsx h ARG 464 CO -0.02 1.00 0.30 0.35 0.56 0.00 0.00 179.97 182.15 3nsx h PHE 465 N 0.68 0.67 -0.15 3.04 3.57 -0.73 -2.53 116.94 121.49 3nsx h PHE 465 Ca 0.08 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 3nsx h PHE 465 Cb 0.84 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 3nsx h PHE 465 CO 0.05 0.47 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.37 3nsx h LEU 466 N 0.67 0.22 -1.11 0.59 3.38 -0.66 -1.72 115.31 116.68 3nsx h LEU 466 Ca 0.18 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3nsx h LEU 466 Cb 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3nsx h LEU 466 CO -0.03 0.40 -0.29 0.00 0.09 0.00 0.00 178.44 178.61 3nsx h ALA 467 N 1.63 1.05 -0.13 1.53 0.00 -0.89 -0.02 119.26 122.43 3nsx h ALA 467 Ca 0.04 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 3nsx h ALA 467 Cb 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3nsx h ALA 467 CO 0.03 0.36 -0.35 1.25 0.00 0.00 0.00 179.25 180.54 3nsx h LEU 468 N 0.00 0.52 -1.94 0.00 5.85 -1.18 -3.32 115.31 115.24 3nsx h LEU 468 Ca -0.00 -0.59 0.09 0.00 0.84 0.00 0.00 57.88 58.21 3nsx h LEU 468 Cb 0.77 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3nsx h LEU 468 CO 0.04 1.02 0.24 1.23 -0.34 0.00 0.00 178.44 180.63 3nsx h GLY 469 N 0.05 0.10 -0.68 3.75 0.00 -0.53 -1.17 103.07 104.59 3nsx h GLY 469 Ca -0.01 -0.03 0.36 0.00 0.00 0.00 0.00 47.33 47.65 3nsx h GLY 469 CO 0.07 0.02 0.69 -2.08 0.00 0.00 0.00 176.54 175.25 3nsx h VAL 470 N 0.08 0.26 0.00 4.60 2.07 -1.13 -1.89 116.25 120.24 3nsx h VAL 470 Ca 0.16 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3nsx h VAL 470 Cb 0.55 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3nsx h VAL 470 CO -0.01 0.04 -1.32 0.49 0.02 0.00 0.00 177.57 176.79 3nsx n PHE 471 N -4.85 0.13 -3.08 1.57 3.72 -0.45 -4.80 117.46 109.71 3nsx n PHE 471 Ca 0.33 0.04 -0.39 0.00 -0.05 0.00 0.00 57.45 57.37 3nsx n PHE 471 Cb 1.14 -0.34 -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 -3.24 4.95 0.28 4.37 -4.23 -0.71 -4.96 115.64 112.10 3nsx s THR 472 Ca 0.01 1.41 0.01 0.00 -1.18 0.00 0.00 61.69 61.95 3nsx s THR 472 Cb 0.15 -4.02 0.26 0.00 1.34 0.00 0.00 72.50 70.23 3nsx s THR 472 CO 0.85 0.32 1.75 -0.65 -0.54 0.00 0.00 174.62 176.35 3nsx h PRO 473 N 6.26 0.57 -5.68 3.99 0.11 -1.82 -3.26 132.00 132.17 3nsx h PRO 473 Ca -0.43 -0.03 -0.62 0.00 0.11 0.00 0.00 66.00 65.03 3nsx h PRO 473 Cb 1.20 -0.13 -0.12 0.00 0.11 0.00 0.00 31.00 32.06 3nsx h PRO 473 CO 0.73 0.38 0.29 -1.17 -0.21 0.00 0.00 178.00 178.02 3nsx s LEU 474 N -10.38 4.21 -0.25 2.35 2.96 -0.81 -4.56 118.68 112.21 3nsx s LEU 474 Ca -0.12 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 3nsx s LEU 474 Cb 0.23 -2.93 0.06 0.00 0.50 0.00 0.00 46.19 44.05 3nsx s LEU 474 CO 0.78 -0.74 -0.08 -0.32 -1.32 0.00 0.00 176.35 174.68 3nsx s MET 475 N 3.02 1.90 0.06 1.98 -2.45 -1.23 -4.19 119.30 118.39 3nsx s MET 475 Ca 0.29 -1.16 -0.09 0.00 -1.25 0.00 0.00 55.69 53.48 3nsx s MET 475 Cb -0.13 -2.73 0.00 0.00 1.25 0.00 0.00 34.83 33.22 3nsx s MET 475 CO 0.18 -0.59 0.19 -0.98 1.05 0.00 0.00 175.02 174.87 3nsx s ARG 476 N 1.26 0.77 -0.73 4.11 1.70 -1.26 -1.75 118.95 123.05 3nsx s ARG 476 Ca -0.07 -0.80 -0.04 0.00 -0.47 0.00 0.00 55.73 54.34 3nsx s ARG 476 Cb -0.19 0.31 0.19 0.00 -0.57 0.00 0.00 34.95 34.69 3nsx s ARG 476 CO -0.06 -0.23 0.58 0.34 -1.08 0.00 0.00 175.30 174.85 3nsx s ASP 477 N -2.49 5.64 -0.19 -2.89 2.15 0.06 -4.87 116.67 114.08 3nsx s ASP 477 Ca 0.00 -3.09 -0.01 0.00 0.43 0.00 0.00 52.55 49.88 3nsx s ASP 477 Cb 0.02 -1.91 0.00 0.00 -0.30 0.00 0.00 42.92 40.73 3nsx s ASP 477 CO -0.08 -0.34 -0.13 -2.28 -0.17 0.00 0.00 175.17 172.17 3nsx s HIS 478 N -0.42 2.84 -0.07 -5.34 2.46 -1.26 -1.57 115.29 111.93 3nsx s HIS 478 Ca 0.20 -1.24 -0.02 0.00 0.47 0.00 0.00 55.06 54.47 3nsx s HIS 478 Cb -0.15 -1.98 -0.04 0.00 -0.13 0.00 0.00 32.58 30.28 3nsx s HIS 478 CO -0.06 -0.63 0.04 0.00 -2.47 0.00 0.00 174.74 171.62 3nsx s ALA 479 N 1.23 3.45 0.90 1.58 0.00 -0.87 -4.60 121.76 123.46 3nsx s ALA 479 Ca 0.03 -0.80 -0.13 0.00 0.00 0.00 0.00 51.96 51.06 3nsx s ALA 479 Cb -0.14 -1.58 0.17 0.00 0.00 0.00 0.00 23.12 21.57 3nsx s ALA 479 CO -0.06 0.62 1.25 0.00 0.00 0.00 0.00 175.76 177.56 3nsx s ALA 480 N -0.98 2.51 0.34 0.00 0.00 -0.63 -1.34 121.76 121.65 3nsx s ALA 480 Ca 0.16 -1.16 -0.28 0.00 0.00 0.00 0.00 51.96 50.68 3nsx s ALA 480 Cb -0.12 -2.71 -0.12 0.00 0.00 0.00 0.00 23.12 20.17 3nsx s ALA 480 CO 0.05 -2.15 1.27 -0.85 0.00 0.00 0.00 175.76 174.08 3nsx n GLU 481 N -3.55 2.08 -1.00 0.00 0.28 -1.26 -1.45 120.64 115.74 3nsx n GLU 481 Ca 0.14 0.73 -0.00 0.00 -0.16 0.00 0.00 57.16 57.87 3nsx n GLU 481 Cb 0.60 -2.30 -0.00 0.00 1.43 0.00 0.00 31.44 31.17 3nsx n GLU 481 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3nsx n GLY 482 N 0.80 0.47 3.77 -1.84 0.00 -1.26 -4.73 105.19 102.39 3nsx n GLY 482 Ca 0.05 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 3nsx n GLY 482 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3nsx s THR 483 N -1.99 2.89 -0.09 2.61 -1.32 -0.53 -0.99 115.64 116.23 3nsx s THR 483 Ca 0.00 0.75 0.20 0.00 -1.21 0.00 0.00 61.69 61.43 3nsx s THR 483 Cb 0.00 -3.42 0.43 0.00 -1.51 0.00 0.00 72.50 67.99 3nsx s THR 483 CO 0.00 0.07 1.19 0.54 -2.21 0.00 0.00 174.62 174.21 3nsx n ARG 484 N -0.02 0.67 -2.20 7.08 1.74 -0.37 -4.70 116.66 118.86 3nsx n ARG 484 Ca 0.05 -2.54 -0.43 0.00 -0.77 0.00 0.00 57.85 54.16 3nsx n ARG 484 Cb 0.45 -0.66 -0.02 0.00 -1.02 0.00 0.00 32.46 31.21 3nsx n ARG 484 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3nsx s GLU 485 N -1.31 4.03 0.91 5.56 2.12 -1.21 -4.73 118.70 124.07 3nsx s GLU 485 Ca 0.36 1.76 -0.10 0.00 0.36 0.00 0.00 54.97 57.34 3nsx s GLU 485 Cb 0.38 -3.94 0.14 0.00 0.26 0.00 0.00 34.13 30.98 3nsx s GLU 485 CO -0.13 -1.00 1.13 1.14 -0.54 0.00 0.00 175.26 175.86 3nsx s GLN 486 N 4.15 1.04 0.71 4.30 -2.07 -1.26 -5.00 119.66 121.52 3nsx s GLN 486 Ca 0.66 1.42 -0.11 0.00 -1.82 0.00 0.00 55.36 55.51 3nsx s GLN 486 Cb -0.25 -1.74 0.01 0.00 -1.09 0.00 0.00 33.01 29.94 3nsx s GLN 486 CO 0.25 -2.57 1.08 -1.21 -1.32 0.00 0.00 175.29 171.52 3nsx s GLU 487 N -4.68 2.86 0.43 9.60 0.41 -1.26 -4.90 118.70 121.17 3nsx s GLU 487 Ca 0.66 0.57 0.16 0.00 -0.41 0.00 0.00 54.97 55.95 3nsx s GLU 487 Cb -0.22 -2.01 1.07 0.00 -1.78 0.00 0.00 34.13 31.18 3nsx s GLU 487 CO 0.58 -1.05 1.92 0.00 -0.49 0.00 0.00 175.26 176.22 3nsx n TYR 489 N -4.47 0.01 0.23 0.00 4.11 -1.26 -3.74 117.16 112.03 3nsx n TYR 489 Ca 0.14 -0.00 0.05 0.00 -0.00 0.00 0.00 57.90 58.09 3nsx n TYR 489 Cb 0.53 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.80 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 -0.73 1.82 -1.30 -3.48 6.02 0.59 -4.95 117.38 115.34 3nsx n GLN 490 Ca 0.22 -0.05 -0.31 0.00 -0.01 0.00 0.00 57.00 56.84 3nsx n GLN 490 Cb 0.16 -1.14 0.09 0.00 1.02 0.00 0.00 30.24 30.37 3nsx n GLN 490 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3nsx s PHE 491 N -2.40 2.50 0.66 1.08 0.08 -1.13 -4.93 117.98 113.84 3nsx s PHE 491 Ca -0.00 1.57 -0.18 0.00 0.12 0.00 0.00 56.93 58.45 3nsx s PHE 491 Cb 0.07 -3.10 -0.00 0.00 -0.57 0.00 0.00 43.02 39.42 3nsx s PHE 491 CO 0.44 -1.88 1.28 -1.21 -0.10 0.00 0.00 175.22 173.76 3nsx s GLU 492 N -4.73 2.47 -1.01 0.44 2.02 -1.26 -3.75 118.70 112.88 3nsx s GLU 492 Ca 0.63 2.03 -0.15 0.00 0.02 0.00 0.00 54.97 57.49 3nsx s GLU 492 Cb -0.18 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.21 3nsx s GLU 492 CO 0.54 -1.65 0.72 0.09 0.02 0.00 0.00 175.26 174.97 3nsx n ASN 493 N -2.04 -5.37 -0.06 -0.19 4.13 -1.26 -4.84 115.26 105.63 3nsx n ASN 493 Ca 0.16 -0.92 0.24 0.00 1.68 0.00 0.00 54.58 55.73 3nsx n ASN 493 Cb 0.48 -2.93 0.71 0.00 -1.54 0.00 0.00 39.78 36.51 3nsx n ASN 493 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 3nsx h ILE 494 N -1.28 0.60 -0.12 2.41 2.10 -1.88 -1.61 117.51 117.74 3nsx h ILE 494 Ca -0.57 0.00 0.03 0.00 1.08 0.00 0.00 64.86 65.40 3nsx h ILE 494 Cb 1.33 0.65 -0.00 0.00 -1.09 0.00 0.00 36.82 37.70 3nsx h ILE 494 CO 0.43 0.00 0.10 1.05 -1.08 0.00 0.00 178.15 178.65 3nsx h GLU 495 N 0.00 0.00 -0.47 2.19 9.09 -1.93 -0.96 114.58 122.50 3nsx h GLU 495 Ca 0.31 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.60 3nsx h GLU 495 Cb 1.30 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.39 3nsx h GLU 495 CO -0.00 0.00 -0.19 -0.44 0.05 0.00 0.00 179.01 178.43 3nsx h ASP 496 N 0.00 0.94 -0.43 3.06 3.32 -1.63 -0.01 116.42 121.67 3nsx h ASP 496 Ca 0.06 -0.34 -0.13 0.00 0.02 0.00 0.00 57.03 56.63 3nsx h ASP 496 Cb 0.26 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3nsx h ASP 496 CO -0.00 1.10 -0.26 -0.26 -1.72 0.00 0.00 179.24 178.11 3nsx h PHE 497 N 0.81 1.08 -0.96 4.55 0.04 -1.38 -2.40 116.94 118.69 3nsx h PHE 497 Ca 0.11 -0.28 0.00 0.00 2.80 0.00 0.00 57.97 60.60 3nsx h PHE 497 Cb 0.74 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 38.60 3nsx h PHE 497 CO 0.05 1.09 0.61 -0.09 -0.60 0.00 0.00 178.31 179.37 3nsx h ARG 498 N 0.76 1.28 -0.17 1.51 2.43 -1.14 -1.65 114.38 117.41 3nsx h ARG 498 Ca 0.09 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3nsx h ARG 498 Cb 0.84 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3nsx h ARG 498 CO 0.07 0.87 0.09 1.03 -1.51 0.00 0.00 179.97 180.53 3nsx h SER 499 N 1.31 0.15 -0.28 -3.80 0.87 -0.78 0.22 113.55 111.24 3nsx h SER 499 Ca 0.35 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.81 3nsx h SER 499 Cb -0.11 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 3nsx h SER 499 CO -0.07 0.11 -0.22 0.58 -0.53 0.00 0.00 176.83 176.70 3nsx h VAL 500 N 0.19 1.30 -0.17 2.23 2.07 -1.16 -2.20 116.25 118.51 3nsx h VAL 500 Ca 0.07 -1.36 -0.15 0.00 0.82 0.00 0.00 66.70 66.07 3nsx h VAL 500 Cb 0.00 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3nsx h VAL 500 CO -0.04 0.43 -0.53 0.40 0.02 0.00 0.00 177.57 177.86 3nsx h ILE 501 N 0.38 1.33 -0.90 4.57 2.04 -1.27 -2.40 117.51 121.26 3nsx h ILE 501 Ca 0.05 -1.77 0.10 0.00 1.00 0.00 0.00 64.86 64.24 3nsx h ILE 501 Cb 0.77 1.76 -0.08 0.00 -0.74 0.00 0.00 36.82 38.53 3nsx h ILE 501 CO 0.06 0.55 0.54 0.78 0.00 0.00 0.00 178.15 180.07 3nsx h ASN 502 N 0.39 0.79 -0.61 1.72 2.35 -0.46 -2.31 115.58 117.44 3nsx h ASN 502 Ca 0.01 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.84 3nsx h ASN 502 Cb 1.05 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 39.27 3nsx h ASN 502 CO 0.10 0.44 0.36 0.00 -1.65 0.00 0.00 177.43 176.68 3nsx h ALA 503 N 1.48 0.80 -0.24 -0.83 0.00 -0.89 0.89 119.26 120.49 3nsx h ALA 503 Ca 0.43 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.40 3nsx h ALA 503 Cb 0.39 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3nsx h ALA 503 CO -0.25 0.08 -0.19 -0.09 0.00 0.00 0.00 179.25 178.81 3nsx h ARG 504 N 0.71 -0.18 -0.11 0.00 9.65 -1.25 -1.72 114.38 121.48 3nsx h ARG 504 Ca 0.26 0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 59.07 3nsx h ARG 504 Cb 0.07 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 3nsx h ARG 504 CO -0.12 -0.12 -0.30 1.88 2.80 0.00 0.00 179.97 184.11 3nsx h TYR 505 N -0.19 0.23 0.00 2.20 -1.99 -0.86 -1.24 116.97 115.12 3nsx h TYR 505 Ca 0.13 -0.05 -0.05 0.00 2.00 0.00 0.00 58.73 60.77 3nsx h TYR 505 Cb 0.39 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.06 3nsx h TYR 505 CO -0.35 0.49 -0.24 0.00 -0.00 0.00 0.00 178.16 178.06 3nsx h ARG 506 N 0.18 0.00 -0.01 4.88 3.08 -0.50 -2.92 114.38 119.09 3nsx h ARG 506 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3nsx h ARG 506 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3nsx h ARG 506 CO 0.05 0.24 -0.44 1.28 -1.07 0.00 0.00 179.97 180.02 3nsx n LEU 507 N -3.87 1.29 -0.16 3.04 4.77 -0.63 -1.50 117.00 119.95 3nsx n LEU 507 Ca -0.02 -0.42 -0.05 0.00 -0.03 0.00 0.00 56.01 55.49 3nsx n LEU 507 Cb 0.33 -0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.38 3nsx n LEU 507 CO 0.35 0.25 1.02 0.58 -1.33 0.00 0.00 177.39 178.26 3nsx h VAL 508 N 1.33 0.98 -0.80 4.08 2.07 -1.06 0.66 116.25 123.51 3nsx h VAL 508 Ca 0.00 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.39 3nsx h VAL 508 Cb 0.59 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 3nsx h VAL 508 CO 0.00 0.09 0.50 -0.65 0.02 0.00 0.00 177.57 177.53 3nsx h PRO 509 N 0.51 0.93 -0.11 1.57 0.11 -1.80 0.15 132.00 133.35 3nsx h PRO 509 Ca 0.21 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 3nsx h PRO 509 Cb 0.10 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.00 3nsx h PRO 509 CO -0.14 0.62 -0.02 -0.92 -0.21 0.00 0.00 178.00 177.32 3nsx h TYR 510 N 0.96 0.24 -0.43 0.65 3.20 -1.61 -1.46 116.97 118.52 3nsx h TYR 510 Ca 0.33 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 3nsx h TYR 510 Cb 0.07 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 3nsx h TYR 510 CO -0.03 0.50 0.11 -0.07 -1.64 0.00 0.00 178.16 177.03 3nsx h LEU 511 N -0.10 0.65 -0.51 2.82 3.38 -0.54 -0.53 115.31 120.48 3nsx h LEU 511 Ca 0.03 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3nsx h LEU 511 Cb 0.42 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3nsx h LEU 511 CO 0.01 0.71 0.33 0.22 0.09 0.00 0.00 178.44 179.81 3nsx h TYR 512 N 0.56 0.65 -0.29 1.13 3.20 -0.77 -0.20 116.97 121.26 3nsx h TYR 512 Ca 0.14 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.05 3nsx h TYR 512 Cb 0.32 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 3nsx h TYR 512 CO 0.02 0.42 0.07 1.03 -1.64 0.00 0.00 178.16 178.06 3nsx h SER 513 N 0.69 0.05 -0.14 -2.11 0.87 -0.93 -0.11 113.55 111.87 3nsx h SER 513 Ca 0.19 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.70 3nsx h SER 513 Cb -0.07 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 3nsx h SER 513 CO -0.04 0.06 -0.18 -0.33 -0.53 0.00 0.00 176.83 175.81 3nsx h GLU 514 N 0.18 0.54 -0.11 2.24 4.39 -0.90 -0.62 114.58 120.31 3nsx h GLU 514 Ca 0.13 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 3nsx h GLU 514 Cb 0.12 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3nsx h GLU 514 CO -0.16 0.70 0.05 -0.92 -1.16 0.00 0.00 179.01 177.52 3nsx h TYR 515 N 0.49 0.16 -0.25 4.33 3.20 -0.60 -1.03 116.97 123.28 3nsx h TYR 515 Ca 0.08 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 3nsx h TYR 515 Cb 0.59 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 3nsx h TYR 515 CO 0.02 0.24 0.08 0.52 -1.64 0.00 0.00 178.16 177.38 3nsx h MET 516 N 0.03 0.38 -0.93 1.82 2.86 -0.82 0.12 114.93 118.39 3nsx h MET 516 Ca 0.04 -0.08 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3nsx h MET 516 Cb 0.14 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.69 3nsx h MET 516 CO -0.00 0.45 0.60 0.87 1.06 0.00 0.00 176.91 179.90 3nsx h LYS 517 N 0.24 1.14 -0.07 1.72 1.57 -1.08 -0.41 116.57 119.68 3nsx h LYS 517 Ca 0.08 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3nsx h LYS 517 Cb 0.23 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3nsx h LYS 517 CO -0.00 0.75 -0.09 0.00 -0.57 0.00 0.00 179.45 179.54 3nsx h ALA 518 N 1.39 0.10 -0.59 3.86 0.00 -0.85 -2.90 119.26 120.28 3nsx h ALA 518 Ca 0.37 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3nsx h ALA 518 Cb 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3nsx h ALA 518 CO -0.12 -0.06 0.35 0.00 0.00 0.00 0.00 179.25 179.42 3nsx h ALA 519 N 0.53 0.75 0.00 0.00 0.00 -0.55 0.52 119.26 120.50 3nsx h ALA 519 Ca 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3nsx h ALA 519 Cb 0.63 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3nsx h ALA 519 CO 0.02 0.23 -0.07 -0.07 0.00 0.00 0.00 179.25 179.36 3nsx h LEU 520 N 0.79 0.00 -3.09 0.00 3.38 -1.15 -3.04 115.31 112.20 3nsx h LEU 520 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3nsx h LEU 520 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3nsx h LEU 520 CO -0.04 0.07 0.00 0.59 0.09 0.00 0.00 178.44 179.15 3nsx n ASN 521 N -3.27 3.22 -3.76 -0.43 3.02 -0.90 -4.99 115.26 108.16 3nsx n ASN 521 Ca -0.01 -2.65 -0.25 0.00 -0.03 0.00 0.00 54.58 51.64 3nsx n ASN 521 Cb 0.28 -0.39 0.04 0.00 -0.61 0.00 0.00 39.78 39.10 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 -0.36 -3.40 -4.68 6.41 8.00 -0.51 -4.98 116.55 117.04 3nsx n ASP 522 Ca 0.16 -0.75 -0.31 0.00 0.71 0.00 0.00 54.79 54.60 3nsx n ASP 522 Cb 0.67 -4.19 -0.09 0.00 -0.02 0.00 0.00 41.12 37.49 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 -3.80 3.94 0.01 -2.24 -1.08 0.06 -4.66 116.67 108.91 3nsx s ASP 523 Ca 0.35 -1.54 -0.13 0.00 -0.52 0.00 0.00 52.55 50.71 3nsx s ASP 523 Cb -0.17 0.15 -0.06 0.00 -1.46 0.00 0.00 42.92 41.38 3nsx s ASP 523 CO 0.80 -0.69 0.40 -0.04 0.52 0.00 0.00 175.17 176.16 3nsx s MET 524 N -3.81 3.87 -0.16 4.34 -1.94 -1.26 -4.45 119.30 115.88 3nsx s MET 524 Ca 0.19 0.35 -0.20 0.00 -1.71 0.00 0.00 55.69 54.31 3nsx s MET 524 Cb 0.05 -3.17 -0.18 0.00 2.01 0.00 0.00 34.83 33.55 3nsx s MET 524 CO 0.10 0.67 0.35 -0.92 -0.01 0.00 0.00 175.02 175.20 3nsx h TYR 525 N 4.50 0.00 -2.66 -0.03 3.20 -1.93 -3.42 116.97 116.63 3nsx h TYR 525 Ca -0.51 0.00 -0.67 0.00 3.14 0.00 0.00 58.73 60.69 3nsx h TYR 525 Cb 1.21 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.42 3nsx h TYR 525 CO 0.70 0.96 -0.46 -0.06 -1.64 0.00 0.00 178.16 177.66 3nsx s PHE 526 N -2.20 3.61 0.01 -3.82 0.08 -1.26 -1.28 117.98 113.11 3nsx s PHE 526 Ca -0.20 0.55 0.03 0.00 0.12 0.00 0.00 56.93 57.43 3nsx s PHE 526 Cb 0.01 -1.96 -0.01 0.00 -0.57 0.00 0.00 43.02 40.50 3nsx s PHE 526 CO 0.51 0.73 -0.09 0.15 -0.10 0.00 0.00 175.22 176.43 3nsx s LYS 527 N -1.04 0.67 0.65 0.44 1.02 0.07 -4.61 119.74 116.94 3nsx s LYS 527 Ca 0.16 -0.41 -0.16 0.00 0.02 0.00 0.00 55.97 55.57 3nsx s LYS 527 Cb -0.12 -0.63 -0.00 0.00 -0.52 0.00 0.00 37.83 36.56 3nsx s LYS 527 CO 0.05 0.16 1.16 -2.14 -0.92 0.00 0.00 175.35 173.66 3nsx s PRO 528 N -0.50 2.69 0.43 -1.68 0.02 -1.26 -0.99 135.00 133.71 3nsx s PRO 528 Ca 0.01 1.61 0.15 0.00 0.02 0.00 0.00 61.00 62.79 3nsx s PRO 528 Cb -0.05 -1.92 1.04 0.00 0.02 0.00 0.00 34.50 33.60 3nsx s PRO 528 CO 0.00 -1.38 1.95 -0.07 -0.33 0.00 0.00 177.00 177.18 3nsx h LEU 529 N 0.23 0.37 -2.06 -5.54 4.07 -1.80 -1.60 115.31 108.98 3nsx h LEU 529 Ca -0.48 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.47 3nsx h LEU 529 Cb 1.27 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.95 3nsx h LEU 529 CO 0.53 0.21 -0.09 1.23 -1.08 0.00 0.00 178.44 179.24 3nsx h GLY 530 N 0.41 0.00 2.00 0.83 0.00 -1.81 0.24 103.07 104.74 3nsx h GLY 530 Ca 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.59 3nsx h GLY 530 CO -0.09 0.00 -0.30 0.74 0.00 0.00 0.00 176.54 176.88 3nsx h PHE 531 N 0.00 0.00 0.00 5.60 -1.00 -1.65 -2.85 116.94 117.04 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 0.24 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.74 3nsx h PHE 531 CO 0.00 0.30 -2.27 0.28 -1.61 0.00 0.00 178.31 175.01 3nsx n VAL 532 N -3.34 1.45 -3.14 -0.55 0.31 -0.57 -4.62 118.33 107.87 3nsx n VAL 532 Ca 0.01 -0.81 -0.25 0.00 -0.01 0.00 0.00 64.34 63.28 3nsx n VAL 532 Cb 0.53 -0.70 -0.05 0.00 -0.91 0.00 0.00 33.84 32.71 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 -2.88 2.63 0.29 3.52 4.01 -0.03 -4.94 117.16 119.76 3nsx n TYR 533 Ca -0.32 -3.95 0.18 0.00 -0.16 0.00 0.00 57.90 53.65 3nsx n TYR 533 Cb 1.12 -0.48 0.88 0.00 -0.31 0.00 0.00 39.34 40.55 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 3.39 0.00 -0.47 -0.72 0.13 -1.74 -2.17 132.00 130.42 3nsx h PRO 534 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3nsx h PRO 534 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3nsx h PRO 534 CO 0.72 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.24 3nsx n ASP 535 N -2.76 3.61 -4.26 1.44 8.00 -1.26 -4.81 116.55 116.51 3nsx n ASP 535 Ca -0.01 -2.00 -0.39 0.00 0.71 0.00 0.00 54.79 53.10 3nsx n ASP 535 Cb 0.12 -0.31 -0.11 0.00 -0.02 0.00 0.00 41.12 40.80 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 -1.39 5.47 0.54 -2.24 -1.08 -0.82 -4.97 116.67 112.19 3nsx s ASP 536 Ca 0.41 -1.40 0.30 0.00 -0.52 0.00 0.00 52.55 51.34 3nsx s ASP 536 Cb 0.24 -1.92 1.57 0.00 -1.46 0.00 0.00 42.92 41.34 3nsx s ASP 536 CO 0.32 -0.45 2.11 0.11 0.52 0.00 0.00 175.17 177.79 3nsx h LYS 537 N 8.29 0.00 0.07 4.34 1.57 -1.87 -1.53 116.57 127.44 3nsx h LYS 537 Ca -0.22 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.39 3nsx h LYS 537 Cb 1.08 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.41 3nsx h LYS 537 CO 0.69 0.09 -0.70 1.98 -0.57 0.00 0.00 179.45 180.94 3nsx h MET 538 N 0.00 0.36 -0.91 3.15 4.05 -1.95 -3.35 114.93 116.28 3nsx h MET 538 Ca -0.00 -0.47 0.01 0.00 -0.28 0.00 0.00 59.70 58.95 3nsx h MET 538 Cb 0.28 0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 31.19 3nsx h MET 538 CO 0.01 1.17 0.59 0.00 0.23 0.00 0.00 176.91 178.91 3nsx h ALA 539 N 0.21 1.15 0.00 0.39 0.00 -1.65 -2.52 119.26 116.84 3nsx h ALA 539 Ca -0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3nsx h ALA 539 Cb 1.46 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3nsx h ALA 539 CO 0.13 0.56 0.00 -0.84 0.00 0.00 0.00 179.25 179.11 3nsx h ILE 540 N 1.23 0.00 -0.26 0.00 3.07 -1.44 -2.33 117.51 117.79 3nsx h ILE 540 Ca 0.33 -0.18 0.00 0.00 1.55 0.00 0.00 64.86 66.56 3nsx h ILE 540 Cb -0.12 1.15 0.00 0.00 -0.27 0.00 0.00 36.82 37.58 3nsx h ILE 540 CO -0.07 0.00 0.00 0.54 -1.05 0.00 0.00 178.15 177.57 3nsx n ARG 541 N -3.02 2.14 -2.27 0.16 1.74 -0.95 -4.57 116.66 109.88 3nsx n ARG 541 Ca -0.02 -1.99 -0.42 0.00 -0.77 0.00 0.00 57.85 54.66 3nsx n ARG 541 Cb 0.15 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 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 -1.39 3.68 0.00 1.55 1.01 -0.88 -4.91 120.40 119.47 3nsx s VAL 542 Ca 0.30 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.44 3nsx s VAL 542 Cb 0.18 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.82 3nsx s VAL 542 CO 0.26 0.06 0.26 -0.62 0.00 0.00 0.00 175.10 175.06 3nsx n GLU 543 N 4.46 2.78 -0.50 2.72 1.02 -1.26 -4.60 120.64 125.27 3nsx n GLU 543 Ca 0.11 -0.26 0.05 0.00 -0.02 0.00 0.00 57.16 57.04 3nsx n GLU 543 Cb 0.44 -0.76 0.20 0.00 -0.02 0.00 0.00 31.44 31.29 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 -0.47 2.30 -4.00 1.62 5.75 -1.26 -4.67 116.55 115.82 3nsx n ASP 544 Ca 0.00 -3.57 -0.09 0.00 -0.01 0.00 0.00 54.79 51.13 3nsx n ASP 544 Cb 0.00 -0.53 -0.11 0.00 -1.03 0.00 0.00 41.12 39.45 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 -3.10 0.37 0.03 0.11 -0.21 -1.26 -4.51 119.66 111.08 3nsx s GLN 545 Ca 0.39 -0.73 0.01 0.00 0.02 0.00 0.00 55.36 55.05 3nsx s GLN 545 Cb 0.35 0.12 -0.02 0.00 1.00 0.00 0.00 33.01 34.46 3nsx s GLN 545 CO -0.01 -0.06 -0.05 -0.51 -2.12 0.00 0.00 175.29 172.54 3nsx s LEU 546 N -1.74 2.21 0.18 2.90 1.43 -0.71 -4.53 118.68 118.41 3nsx s LEU 546 Ca -0.12 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.37 3nsx s LEU 546 Cb -0.07 -0.08 -0.08 0.00 0.03 0.00 0.00 46.19 46.00 3nsx s LEU 546 CO -0.03 -0.19 0.64 -0.04 0.23 0.00 0.00 176.35 176.96 3nsx s MET 547 N -1.27 4.13 -0.09 1.70 -1.94 -0.16 -0.56 119.30 121.11 3nsx s MET 547 Ca -0.10 0.70 0.02 0.00 -1.71 0.00 0.00 55.69 54.60 3nsx s MET 547 Cb -0.08 -2.94 0.01 0.00 2.01 0.00 0.00 34.83 33.83 3nsx s MET 547 CO -0.00 0.45 -0.15 -1.17 -0.01 0.00 0.00 175.02 174.14 3nsx s LEU 548 N -1.89 1.75 0.00 -0.03 0.20 -0.45 -0.75 118.68 117.50 3nsx s LEU 548 Ca 0.39 -0.40 0.00 0.00 0.69 0.00 0.00 54.13 54.82 3nsx s LEU 548 Cb -0.16 -1.04 0.00 0.00 -0.43 0.00 0.00 46.19 44.56 3nsx s LEU 548 CO 0.20 0.04 0.00 0.61 -0.29 0.00 0.00 176.35 176.92 3nsx n GLY 549 N 3.95 2.80 0.03 7.98 0.00 -0.41 -2.87 105.19 116.66 3nsx n GLY 549 Ca -0.20 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 45.56 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 1.15 2.06 -0.01 1.61 3.02 -1.26 -4.79 115.26 117.05 3nsx n ASN 550 Ca 0.00 -2.32 -0.01 0.00 -0.03 0.00 0.00 54.58 52.22 3nsx n ASN 550 Cb 0.00 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.02 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 -0.78 2.78 -4.31 3.52 4.71 -1.21 -4.94 120.64 120.40 3nsx n GLU 551 Ca 0.05 0.00 -0.16 0.00 -0.01 0.00 0.00 57.16 57.04 3nsx n GLU 551 Cb 0.38 -1.04 -0.10 0.00 -1.01 0.00 0.00 31.44 29.67 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 -2.04 0.83 -0.00 -3.67 -4.36 -1.14 -0.86 121.20 109.96 3nsx s ILE 552 Ca -0.01 -2.01 0.04 0.00 -0.26 0.00 0.00 60.65 58.41 3nsx s ILE 552 Cb 0.01 -2.41 -0.01 0.00 1.25 0.00 0.00 42.46 41.30 3nsx s ILE 552 CO 0.06 -0.25 -0.14 -0.32 0.24 0.00 0.00 174.94 174.54 3nsx s MET 553 N -3.93 1.07 0.19 0.37 -2.45 0.05 -1.35 119.30 113.25 3nsx s MET 553 Ca 0.31 -0.52 0.08 0.00 -1.25 0.00 0.00 55.69 54.31 3nsx s MET 553 Cb 0.07 -1.04 -0.04 0.00 1.25 0.00 0.00 34.83 35.06 3nsx s MET 553 CO 0.09 0.28 -0.06 0.96 1.05 0.00 0.00 175.02 177.35 3nsx s ILE 554 N -0.39 3.36 -0.51 10.11 -4.36 0.28 -0.76 121.20 128.93 3nsx s ILE 554 Ca 0.05 -1.62 0.07 0.00 -0.26 0.00 0.00 60.65 58.88 3nsx s ILE 554 Cb -0.06 -2.69 0.19 0.00 1.25 0.00 0.00 42.46 41.16 3nsx s ILE 554 CO -0.00 -0.14 0.72 0.00 0.24 0.00 0.00 174.94 175.76 3nsx n ALA 555 N -0.10 -1.71 -1.73 2.27 0.00 -1.26 -1.75 120.51 116.23 3nsx n ALA 555 Ca -0.10 -1.11 -0.34 0.00 0.00 0.00 0.00 53.44 51.89 3nsx n ALA 555 Cb 0.56 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3nsx n ALA 555 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3nsx s PRO 556 N 0.83 3.37 0.02 0.00 0.02 -1.26 -4.97 135.00 133.01 3nsx s PRO 556 Ca 0.30 1.47 -0.28 0.00 0.02 0.00 0.00 61.00 62.51 3nsx s PRO 556 Cb 0.01 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 3nsx s PRO 556 CO -0.06 -0.81 0.90 0.08 -0.33 0.00 0.00 177.00 176.79 3nsx s VAL 557 N -1.98 4.81 -0.03 3.83 1.01 -1.26 -4.94 120.40 121.84 3nsx s VAL 557 Ca 0.70 1.91 0.05 0.00 0.00 0.00 0.00 61.98 64.63 3nsx s VAL 557 Cb -0.21 -4.25 0.07 0.00 0.00 0.00 0.00 36.38 32.00 3nsx s VAL 557 CO 0.28 0.23 0.92 0.00 0.00 0.00 0.00 175.10 176.54 3nsx n TYR 558 N 3.53 0.00 -4.85 5.22 0.18 -1.26 -4.88 117.16 115.11 3nsx n TYR 558 Ca 0.03 -0.34 -0.33 0.00 1.88 0.00 0.00 57.90 59.14 3nsx n TYR 558 Cb 0.51 -0.06 -0.15 0.00 -0.38 0.00 0.00 39.34 39.26 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 -0.90 3.27 0.36 -3.48 0.41 -1.26 -4.85 118.70 112.25 3nsx s GLU 559 Ca 0.08 -0.71 -0.28 0.00 -0.41 0.00 0.00 54.97 53.64 3nsx s GLU 559 Cb 0.07 -2.57 -0.11 0.00 -1.78 0.00 0.00 34.13 29.75 3nsx s GLU 559 CO 0.01 0.24 1.47 -1.14 -0.49 0.00 0.00 175.26 175.35 3nsx s GLN 560 N 0.26 4.16 0.00 1.61 0.74 -1.26 -2.51 119.66 122.66 3nsx s GLN 560 Ca -0.10 2.51 0.00 0.00 0.05 0.00 0.00 55.36 57.81 3nsx s GLN 560 Cb -0.16 -2.99 0.00 0.00 1.10 0.00 0.00 33.01 30.96 3nsx s GLN 560 CO 0.06 -0.48 0.00 0.09 -0.55 0.00 0.00 175.29 174.40 3nsx n ASN 561 N 0.74 0.00 -4.78 6.67 3.02 -1.26 -4.99 115.26 114.66 3nsx n ASN 561 Ca 0.02 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.19 3nsx n ASN 561 Cb 0.39 -1.02 -0.04 0.00 -0.61 0.00 0.00 39.78 38.51 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 -2.76 3.14 -0.83 5.41 0.00 -1.04 -4.95 121.76 120.73 3nsx s ALA 562 Ca 0.00 0.77 0.12 0.00 0.00 0.00 0.00 51.96 52.84 3nsx s ALA 562 Cb 0.00 -3.30 0.34 0.00 0.00 0.00 0.00 23.12 20.17 3nsx s ALA 562 CO 0.00 -0.25 1.28 0.54 0.00 0.00 0.00 175.76 177.33 3nsx n ARG 563 N 0.16 2.89 -3.07 0.00 1.74 -1.26 -4.86 116.66 112.25 3nsx n ARG 563 Ca 0.04 -2.17 0.00 0.00 -0.77 0.00 0.00 57.85 54.95 3nsx n ARG 563 Cb 0.48 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 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 0.38 -1.25 3.71 -0.13 0.00 -1.26 -0.71 105.19 105.94 3nsx n GLY 564 Ca 0.13 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.31 1.50 0.22 1.61 1.70 -0.51 -4.88 118.95 118.29 3nsx s ARG 565 Ca 0.00 -0.76 -0.20 0.00 -0.47 0.00 0.00 55.73 54.30 3nsx s ARG 565 Cb 0.00 0.56 -0.08 0.00 -0.57 0.00 0.00 34.95 34.85 3nsx s ARG 565 CO 0.00 -0.68 0.73 0.71 -1.08 0.00 0.00 175.30 174.98 3nsx s TYR 566 N -3.72 3.66 0.05 5.89 2.02 -1.26 -0.94 117.35 123.06 3nsx s TYR 566 Ca 0.08 1.40 0.01 0.00 -0.37 0.00 0.00 57.07 58.20 3nsx s TYR 566 Cb -0.04 -2.63 -0.03 0.00 -0.40 0.00 0.00 41.96 38.86 3nsx s TYR 566 CO 0.00 0.35 -0.05 0.14 -1.57 0.00 0.00 175.55 174.42 3nsx s VAL 567 N -1.50 0.41 -0.19 0.71 -7.23 0.22 -4.95 120.40 107.87 3nsx s VAL 567 Ca 0.43 -1.37 -0.03 0.00 -1.81 0.00 0.00 61.98 59.20 3nsx s VAL 567 Cb -0.17 -0.93 -0.01 0.00 0.56 0.00 0.00 36.38 35.82 3nsx s VAL 567 CO 0.21 -0.64 -0.06 -0.47 -0.31 0.00 0.00 175.10 173.84 3nsx s TYR 568 N -2.37 2.95 -0.32 2.82 5.04 -1.26 -1.26 117.35 122.94 3nsx s TYR 568 Ca -0.03 -0.75 -0.11 0.00 -2.44 0.00 0.00 57.07 53.74 3nsx s TYR 568 Cb -0.03 -2.03 -0.01 0.00 0.35 0.00 0.00 41.96 40.23 3nsx s TYR 568 CO -0.03 -0.38 0.19 -0.51 -1.34 0.00 0.00 175.55 173.48 3nsx s LEU 569 N 1.06 4.30 0.00 6.97 1.02 -0.01 -4.95 118.68 127.05 3nsx s LEU 569 Ca 0.01 -0.47 0.29 0.00 0.02 0.00 0.00 54.13 53.98 3nsx s LEU 569 Cb -0.15 -2.07 1.53 0.00 0.02 0.00 0.00 46.19 45.53 3nsx s LEU 569 CO -0.00 -0.21 2.03 -2.65 0.02 0.00 0.00 176.35 175.54 3nsx n PRO 570 N 5.04 0.52 -3.94 1.29 -0.02 -1.26 -0.39 135.00 136.24 3nsx n PRO 570 Ca -0.13 0.01 -0.09 0.00 -2.02 0.00 0.00 63.50 61.27 3nsx n PRO 570 Cb 0.49 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.45 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 -2.45 1.79 0.37 -0.52 -1.05 -1.26 -4.91 118.70 110.67 3nsx s GLU 571 Ca 0.31 -1.28 -0.28 0.00 -0.15 0.00 0.00 54.97 53.57 3nsx s GLU 571 Cb 0.20 0.53 -0.10 0.00 -0.44 0.00 0.00 34.13 34.32 3nsx s GLU 571 CO 0.42 -0.79 1.38 -2.00 0.95 0.00 0.00 175.26 175.23 3nsx s GLU 572 N -3.55 4.13 0.05 -4.83 2.12 -1.26 -3.86 118.70 111.50 3nsx s GLU 572 Ca 0.19 2.35 -0.04 0.00 0.36 0.00 0.00 54.97 57.83 3nsx s GLU 572 Cb -0.03 -2.93 -0.02 0.00 0.26 0.00 0.00 34.13 31.41 3nsx s GLU 572 CO 0.10 -0.43 0.07 -1.64 -0.54 0.00 0.00 175.26 172.82 3nsx s MET 573 N -2.05 0.65 -0.33 4.30 -1.94 -0.56 -1.75 119.30 117.61 3nsx s MET 573 Ca 0.53 -0.97 -0.18 0.00 -1.71 0.00 0.00 55.69 53.36 3nsx s MET 573 Cb -0.42 0.24 -0.01 0.00 2.01 0.00 0.00 34.83 36.65 3nsx s MET 573 CO 0.56 -0.16 0.53 0.15 -0.01 0.00 0.00 175.02 176.09 3nsx s LYS 574 N -3.35 3.74 -0.28 2.03 1.02 0.21 -1.00 119.74 122.11 3nsx s LYS 574 Ca 0.01 -0.02 -0.29 0.00 0.02 0.00 0.00 55.97 55.69 3nsx s LYS 574 Cb 0.03 -3.77 0.01 0.00 -0.52 0.00 0.00 37.83 33.58 3nsx s LYS 574 CO -0.08 -0.58 1.19 0.12 -0.92 0.00 0.00 175.35 175.07 3nsx s PHE 575 N 2.41 2.94 -0.07 3.18 5.36 0.13 -0.53 117.98 131.39 3nsx s PHE 575 Ca 0.20 1.06 0.02 0.00 -0.96 0.00 0.00 56.93 57.25 3nsx s PHE 575 Cb -0.15 -3.72 -0.03 0.00 -0.34 0.00 0.00 43.02 38.78 3nsx s PHE 575 CO 0.13 -1.26 -0.12 0.42 -1.46 0.00 0.00 175.22 172.93 3nsx s ILE 576 N 3.88 3.28 -0.05 3.12 -1.09 0.36 -1.38 121.20 129.31 3nsx s ILE 576 Ca 0.51 -0.63 0.02 0.00 -2.23 0.00 0.00 60.65 58.32 3nsx s ILE 576 Cb -0.16 -2.32 0.01 0.00 -1.58 0.00 0.00 42.46 38.42 3nsx s ILE 576 CO 0.18 0.58 -0.11 -0.54 -1.23 0.00 0.00 174.94 173.82 3nsx s LYS 577 N -0.54 1.42 -0.10 2.79 1.02 -0.69 -1.27 119.74 122.36 3nsx s LYS 577 Ca 0.08 -0.36 -0.30 0.00 0.02 0.00 0.00 55.97 55.41 3nsx s LYS 577 Cb -0.12 -1.22 -0.02 0.00 -0.52 0.00 0.00 37.83 35.95 3nsx s LYS 577 CO 0.02 0.04 1.21 -0.06 -0.92 0.00 0.00 175.35 175.64 3nsx s PHE 578 N 0.56 3.08 0.12 3.18 0.40 -0.13 -1.00 117.98 124.19 3nsx s PHE 578 Ca -0.11 1.16 0.02 0.00 -0.60 0.00 0.00 56.93 57.40 3nsx s PHE 578 Cb -0.14 -3.44 -0.04 0.00 0.51 0.00 0.00 43.02 39.92 3nsx s PHE 578 CO 0.02 -1.39 0.25 -1.64 0.70 0.00 0.00 175.22 173.17 3nsx s MET 579 N 2.71 3.42 0.00 0.44 -1.94 -0.21 -2.36 119.30 121.35 3nsx s MET 579 Ca 0.55 -0.55 0.11 0.00 -1.71 0.00 0.00 55.69 54.09 3nsx s MET 579 Cb -0.23 -2.98 0.48 0.00 2.01 0.00 0.00 34.83 34.11 3nsx s MET 579 CO 0.19 0.55 1.35 -0.35 -0.01 0.00 0.00 175.02 176.75 3nsx n PRO 580 N -0.23 0.01 -0.23 2.03 -0.04 -1.25 -1.25 135.00 134.03 3nsx n PRO 580 Ca -0.06 0.30 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 3nsx n PRO 580 Cb 0.53 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.75 3nsx n PRO 580 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3nsx n ASP 581 N -1.49 3.19 0.00 3.54 3.85 -1.26 -4.88 116.55 119.50 3nsx n ASP 581 Ca 0.03 -1.96 0.00 0.00 -0.71 0.00 0.00 54.79 52.15 3nsx n ASP 581 Cb 0.13 -0.30 0.00 0.00 -1.35 0.00 0.00 41.12 39.59 3nsx n ASP 581 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3nsx n GLY 582 N 1.46 0.84 3.94 6.12 0.00 -0.38 -5.05 105.19 112.12 3nsx n GLY 582 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.84 4.80 -0.16 1.61 1.04 -1.26 -4.86 113.70 112.04 3nsx s SER 583 Ca 0.00 0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.75 3nsx s SER 583 Cb 0.00 -0.97 0.03 0.00 0.10 0.00 0.00 66.02 65.19 3nsx s SER 583 CO 0.00 -1.58 -0.10 -0.63 0.98 0.00 0.00 173.24 171.91 3nsx s ILE 584 N -3.18 1.42 0.27 -1.02 1.01 -1.26 -1.04 121.20 117.39 3nsx s ILE 584 Ca 0.61 -0.69 -0.13 0.00 0.00 0.00 0.00 60.65 60.44 3nsx s ILE 584 Cb -0.10 -1.44 -0.08 0.00 0.01 0.00 0.00 42.46 40.85 3nsx s ILE 584 CO 0.44 0.29 0.64 -0.94 0.00 0.00 0.00 174.94 175.38 3nsx s SER 585 N 1.52 6.73 -0.01 3.58 1.04 -0.17 -4.90 113.70 121.49 3nsx s SER 585 Ca 0.02 1.12 0.00 0.00 0.48 0.00 0.00 55.95 57.58 3nsx s SER 585 Cb -0.14 -2.31 0.01 0.00 0.10 0.00 0.00 66.02 63.68 3nsx s SER 585 CO -0.09 -0.11 0.00 -1.61 0.98 0.00 0.00 173.24 172.41 3nsx s GLU 586 N -2.78 0.11 -0.07 4.02 2.02 -1.26 -1.71 118.70 119.03 3nsx s GLU 586 Ca 0.50 0.04 -0.04 0.00 0.02 0.00 0.00 54.97 55.48 3nsx s GLU 586 Cb -0.11 -0.22 0.03 0.00 0.10 0.00 0.00 34.13 33.93 3nsx s GLU 586 CO 0.19 -0.06 0.18 -2.00 0.02 0.00 0.00 175.26 173.59 3nsx s GLU 587 N 0.47 0.15 -0.09 1.61 2.12 -0.48 -4.98 118.70 117.51 3nsx s GLU 587 Ca -0.04 0.37 -0.27 0.00 0.36 0.00 0.00 54.97 55.39 3nsx s GLU 587 Cb -0.06 -0.08 -0.02 0.00 0.26 0.00 0.00 34.13 34.22 3nsx s GLU 587 CO -0.01 -0.12 0.86 0.08 -0.54 0.00 0.00 175.26 175.53 3nsx s VAL 588 N 0.87 4.91 -0.05 3.70 1.01 -1.26 0.17 120.40 129.74 3nsx s VAL 588 Ca -0.06 1.76 0.05 0.00 0.00 0.00 0.00 61.98 63.73 3nsx s VAL 588 Cb -0.08 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 3nsx s VAL 588 CO -0.05 0.12 -0.21 -0.76 0.00 0.00 0.00 175.10 174.21 3nsx s LEU 589 N 1.45 1.99 0.72 3.92 1.43 -0.17 -4.95 118.68 123.06 3nsx s LEU 589 Ca 0.43 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 3nsx s LEU 589 Cb -0.18 -1.16 0.02 0.00 0.03 0.00 0.00 46.19 44.90 3nsx s LEU 589 CO 0.19 0.19 1.08 -1.61 0.23 0.00 0.00 176.35 176.43 3nsx s GLU 590 N -0.05 2.76 0.25 1.70 8.01 -1.26 -1.49 118.70 128.61 3nsx s GLU 590 Ca -0.04 0.68 -0.29 0.00 0.01 0.00 0.00 54.97 55.33 3nsx s GLU 590 Cb -0.13 -1.99 -0.15 0.00 -4.31 0.00 0.00 34.13 27.55 3nsx s GLU 590 CO 0.03 -1.15 0.92 1.17 0.01 0.00 0.00 175.26 176.23 3nsx n LYS 591 N -3.13 0.98 0.00 1.61 4.81 -1.25 -4.75 118.16 116.44 3nsx n LYS 591 Ca 0.07 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 3nsx n LYS 591 Cb 0.56 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 33.96 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 1.53 0.57 3.77 3.14 0.00 0.48 -4.95 105.19 109.73 3nsx n GLY 592 Ca 0.13 -2.15 -0.39 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.87 4.74 0.03 1.61 1.01 -1.26 -0.83 120.40 124.83 3nsx s VAL 593 Ca 0.00 1.38 -0.07 0.00 0.00 0.00 0.00 61.98 63.29 3nsx s VAL 593 Cb 0.00 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 3nsx s VAL 593 CO 0.00 0.46 0.13 -1.00 0.00 0.00 0.00 175.10 174.69 3nsx s HIS 594 N -0.56 0.12 -0.20 5.22 3.76 -0.39 -5.00 115.29 118.24 3nsx s HIS 594 Ca 0.33 -0.35 -0.06 0.00 -0.15 0.00 0.00 55.06 54.83 3nsx s HIS 594 Cb -0.20 -0.09 -0.03 0.00 1.11 0.00 0.00 32.58 33.38 3nsx s HIS 594 CO 0.20 -0.36 0.02 -0.47 -0.85 0.00 0.00 174.74 173.28 3nsx s TYR 595 N -2.29 3.08 -0.05 1.40 5.04 -1.26 -0.61 117.35 122.66 3nsx s TYR 595 Ca -0.07 -0.33 0.03 0.00 -2.44 0.00 0.00 57.07 54.26 3nsx s TYR 595 Cb -0.03 -2.09 -0.03 0.00 0.35 0.00 0.00 41.96 40.16 3nsx s TYR 595 CO -0.03 -0.16 -0.13 0.14 -1.34 0.00 0.00 175.55 174.03 3nsx s VAL 596 N 0.91 3.19 -0.00 3.14 -7.23 -0.11 -4.96 120.40 115.34 3nsx s VAL 596 Ca 0.02 -0.69 -0.26 0.00 -1.81 0.00 0.00 61.98 59.24 3nsx s VAL 596 Cb -0.14 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 3nsx s VAL 596 CO 0.02 0.58 0.82 -1.81 -0.31 0.00 0.00 175.10 174.40 3nsx s ASP 597 N -0.78 7.20 -0.24 4.85 1.01 -1.26 -1.42 116.67 126.03 3nsx s ASP 597 Ca 0.12 1.44 -0.03 0.00 0.71 0.00 0.00 52.55 54.78 3nsx s ASP 597 Cb -0.11 -2.49 0.10 0.00 1.01 0.00 0.00 42.92 41.44 3nsx s ASP 597 CO 0.01 -0.12 0.21 -0.69 0.21 0.00 0.00 175.17 174.79 3nsx s VAL 598 N 0.56 -0.27 0.84 -1.27 1.01 0.11 -4.92 120.40 116.47 3nsx s VAL 598 Ca 0.43 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 3nsx s VAL 598 Cb -0.20 -0.80 0.10 0.00 0.00 0.00 0.00 36.38 35.48 3nsx s VAL 598 CO 0.23 -0.38 1.09 0.00 0.00 0.00 0.00 175.10 176.04 3nsx s ALA 599 N 2.27 1.86 0.52 5.51 0.00 -1.26 -4.04 121.76 126.62 3nsx s ALA 599 Ca 0.07 0.11 0.21 0.00 0.00 0.00 0.00 51.96 52.35 3nsx s ALA 599 Cb -0.15 -3.24 1.32 0.00 0.00 0.00 0.00 23.12 21.05 3nsx s ALA 599 CO -0.22 -2.10 2.04 -0.07 0.00 0.00 0.00 175.76 175.41 3nsx h LEU 600 N -1.37 0.04 -3.50 0.00 3.38 -1.94 -1.92 115.31 110.00 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 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3nsx h LEU 600 CO 0.53 0.02 0.00 -0.46 0.09 0.00 0.00 178.44 178.62 3nsx n ASN 601 N -4.43 5.34 -4.40 -0.43 0.23 -1.26 -4.76 115.26 105.54 3nsx n ASN 601 Ca 0.06 -2.95 -0.32 0.00 -0.53 0.00 0.00 54.58 50.84 3nsx n ASN 601 Cb 0.43 -0.65 -0.14 0.00 -2.08 0.00 0.00 39.78 37.34 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 -2.77 2.47 -0.25 -3.83 2.02 -0.72 -3.92 118.70 111.69 3nsx s GLU 602 Ca 0.52 -0.78 -0.03 0.00 0.02 0.00 0.00 54.97 54.69 3nsx s GLU 602 Cb 0.40 -2.28 0.01 0.00 0.10 0.00 0.00 34.13 32.36 3nsx s GLU 602 CO 0.15 0.55 -0.02 0.08 0.02 0.00 0.00 175.26 176.03 3nsx s VAL 603 N -0.56 3.25 0.18 2.63 1.01 -1.00 -4.71 120.40 121.22 3nsx s VAL 603 Ca 0.08 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 3nsx s VAL 603 Cb -0.11 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 3nsx s VAL 603 CO 0.01 0.23 0.41 -2.16 0.00 0.00 0.00 175.10 173.59 3nsx s PRO 604 N 1.41 3.60 0.28 2.72 0.04 -1.26 -0.96 135.00 140.83 3nsx s PRO 604 Ca 0.02 -0.14 -0.18 0.00 0.04 0.00 0.00 61.00 60.74 3nsx s PRO 604 Cb -0.16 -2.81 0.02 0.00 0.04 0.00 0.00 34.50 31.58 3nsx s PRO 604 CO -0.03 0.41 0.65 -0.48 0.04 0.00 0.00 177.00 177.60 3nsx s LEU 605 N -2.96 -0.07 -0.06 -3.56 0.05 -0.40 -4.70 118.68 106.98 3nsx s LEU 605 Ca 0.41 -0.74 0.03 0.00 0.05 0.00 0.00 54.13 53.88 3nsx s LEU 605 Cb -0.12 2.45 0.01 0.00 -2.05 0.00 0.00 46.19 46.48 3nsx s LEU 605 CO 0.26 -1.31 -0.16 -0.36 -0.55 0.00 0.00 176.35 174.23 3nsx s PHE 606 N -3.84 1.72 -0.24 3.48 0.08 0.06 -0.49 117.98 118.75 3nsx s PHE 606 Ca 0.15 -0.60 -0.12 0.00 0.12 0.00 0.00 56.93 56.48 3nsx s PHE 606 Cb -0.04 -1.20 -0.05 0.00 -0.57 0.00 0.00 43.02 41.16 3nsx s PHE 606 CO 0.08 -0.26 0.21 0.42 -0.10 0.00 0.00 175.22 175.57 3nsx s ILE 607 N 0.39 5.32 0.51 0.64 1.01 0.31 -0.77 121.20 128.61 3nsx s ILE 607 Ca -0.11 0.28 -0.22 0.00 0.00 0.00 0.00 60.65 60.60 3nsx s ILE 607 Cb -0.15 -3.55 -0.06 0.00 0.01 0.00 0.00 42.46 38.72 3nsx s ILE 607 CO 0.04 0.31 1.23 -0.13 0.00 0.00 0.00 174.94 176.38 3nsx s ARG 608 N 1.26 3.40 0.11 2.79 0.52 -0.04 -0.62 118.95 126.37 3nsx s ARG 608 Ca 0.10 1.91 -0.35 0.00 -0.52 0.00 0.00 55.73 56.86 3nsx s ARG 608 Cb -0.14 -2.25 -0.17 0.00 0.52 0.00 0.00 34.95 32.91 3nsx s ARG 608 CO 0.06 -0.88 1.10 0.45 0.02 0.00 0.00 175.30 176.06 3nsx n SER 609 N -0.90 0.77 -0.32 0.23 2.88 -0.72 -1.38 113.62 114.17 3nsx n SER 609 Ca 0.10 1.14 -0.04 0.00 -1.33 0.00 0.00 58.87 58.74 3nsx n SER 609 Cb 0.48 -1.11 -0.02 0.00 -0.75 0.00 0.00 64.21 62.81 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 1.99 0.69 3.42 0.46 0.00 -1.26 -5.01 105.19 105.47 3nsx n GLY 610 Ca 0.17 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.84 1.53 0.14 1.61 -0.14 -0.48 -4.68 119.74 115.89 3nsx s LYS 611 Ca 0.00 -1.77 -0.10 0.00 -1.36 0.00 0.00 55.97 52.74 3nsx s LYS 611 Cb 0.00 -1.12 -0.00 0.00 -1.68 0.00 0.00 37.83 35.03 3nsx s LYS 611 CO 0.00 0.03 0.28 0.00 -0.76 0.00 0.00 175.35 174.90 3nsx s ILE 613 N -3.92 0.59 0.28 0.00 -4.36 -0.17 -4.73 121.20 108.88 3nsx s ILE 613 Ca 0.12 -1.08 -0.24 0.00 -0.26 0.00 0.00 60.65 59.19 3nsx s ILE 613 Cb 0.03 -0.64 -0.09 0.00 1.25 0.00 0.00 42.46 43.01 3nsx s ILE 613 CO -0.04 -0.36 0.86 -2.16 0.24 0.00 0.00 174.94 173.48 3nsx s PRO 614 N -1.56 4.48 -0.07 0.37 0.04 -1.26 -0.98 135.00 136.02 3nsx s PRO 614 Ca -0.09 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.12 3nsx s PRO 614 Cb -0.10 -2.87 0.02 0.00 0.04 0.00 0.00 34.50 31.59 3nsx s PRO 614 CO 0.01 0.35 -0.04 0.08 0.04 0.00 0.00 177.00 177.43 3nsx s VAL 615 N -1.54 0.63 0.53 -0.36 1.01 0.18 -4.47 120.40 116.38 3nsx s VAL 615 Ca 0.46 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.29 3nsx s VAL 615 Cb -0.18 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 3nsx s VAL 615 CO 0.23 0.28 0.84 0.00 0.00 0.00 0.00 175.10 176.45 3nsx s ALA 616 N 1.42 3.35 0.58 5.51 0.00 -0.56 -1.93 121.76 130.13 3nsx s ALA 616 Ca -0.03 -0.52 -0.19 0.00 0.00 0.00 0.00 51.96 51.22 3nsx s ALA 616 Cb -0.13 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 3nsx s ALA 616 CO -0.03 -0.51 1.18 -1.21 0.00 0.00 0.00 175.76 175.18 3nsx s GLU 617 N -4.86 3.08 0.29 0.00 0.41 -1.26 -4.52 118.70 111.84 3nsx s GLU 617 Ca 0.50 1.73 -0.30 0.00 -0.41 0.00 0.00 54.97 56.49 3nsx s GLU 617 Cb -0.10 -1.96 -0.11 0.00 -1.78 0.00 0.00 34.13 30.18 3nsx s GLU 617 CO 0.46 -1.09 1.50 0.00 -0.49 0.00 0.00 175.26 175.64 3nsx s ALA 618 N -1.70 3.66 0.29 5.21 0.00 -1.26 -4.67 121.76 123.29 3nsx s ALA 618 Ca 0.75 1.45 0.04 0.00 0.00 0.00 0.00 51.96 54.21 3nsx s ALA 618 Cb -0.28 -3.60 -0.06 0.00 0.00 0.00 0.00 23.12 19.19 3nsx s ALA 618 CO 0.31 -0.87 0.02 0.00 0.00 0.00 0.00 175.76 175.22 3nsx s ALA 619 N -0.22 2.18 -2.12 0.00 0.00 -1.26 -5.03 121.76 115.30 3nsx s ALA 619 Ca 0.59 -1.94 0.23 0.00 0.00 0.00 0.00 51.96 50.85 3nsx s ALA 619 Cb -0.45 0.53 0.04 0.00 0.00 0.00 0.00 23.12 23.24 3nsx s ALA 619 CO 0.48 -0.25 1.12 0.39 0.00 0.00 0.00 175.76 177.51 3nsx n GLU 620 N -0.58 1.30 -3.57 0.00 1.02 -1.26 -4.74 120.64 112.82 3nsx n GLU 620 Ca -0.04 -1.07 -0.11 0.00 -0.02 0.00 0.00 57.16 55.92 3nsx n GLU 620 Cb 0.65 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.55 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 2.28 1.18 -0.61 0.00 2.07 -1.92 -2.20 116.25 117.06 3nsx h VAL 622 Ca -0.34 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 66.89 3nsx h VAL 622 Cb 1.27 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3nsx h VAL 622 CO 0.44 0.20 0.41 0.50 0.02 0.00 0.00 177.57 179.14 3nsx h LYS 623 N 1.10 0.48 -0.04 1.57 3.64 -1.97 -2.53 116.57 118.83 3nsx h LYS 623 Ca 0.32 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3nsx h LYS 623 Cb -0.07 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3nsx h LYS 623 CO -0.09 0.32 0.00 -0.25 -2.27 0.00 0.00 179.45 177.16 3nsx n ASP 624 N -4.48 1.41 -4.72 4.20 8.00 -0.83 -4.90 116.55 115.24 3nsx n ASP 624 Ca 0.09 -1.50 -0.42 0.00 0.71 0.00 0.00 54.79 53.68 3nsx n ASP 624 Cb 0.32 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 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 -1.97 3.06 -0.52 0.53 1.01 -0.95 -4.88 121.20 117.47 3nsx s ILE 625 Ca 0.38 0.76 -0.22 0.00 0.00 0.00 0.00 60.65 61.57 3nsx s ILE 625 Cb 0.20 -3.49 0.05 0.00 0.01 0.00 0.00 42.46 39.23 3nsx s ILE 625 CO 0.33 0.06 0.79 -0.62 0.00 0.00 0.00 174.94 175.50 3nsx s ASP 626 N 1.09 6.29 0.00 3.58 2.15 -1.26 -4.88 116.67 123.64 3nsx s ASP 626 Ca 0.66 -0.58 0.22 0.00 0.43 0.00 0.00 52.55 53.28 3nsx s ASP 626 Cb -0.39 -2.37 0.46 0.00 -0.30 0.00 0.00 42.92 40.32 3nsx s ASP 626 CO 0.31 -1.06 1.40 0.35 -0.17 0.00 0.00 175.17 176.00 3nsx n THR 627 N 5.94 0.64 0.04 1.71 -2.24 -1.26 -4.16 114.28 114.95 3nsx n THR 627 Ca -0.02 -0.82 -0.11 0.00 -2.27 0.00 0.00 64.05 60.83 3nsx n THR 627 Cb 0.47 0.85 -0.13 0.00 -2.10 0.00 0.00 70.33 69.41 3nsx n THR 627 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3nsx h GLU 628 N 4.19 0.10 -2.25 -0.78 5.08 -2.03 -3.39 114.58 115.50 3nsx h GLU 628 Ca 0.00 -0.17 -0.61 0.00 -1.00 0.00 0.00 59.36 57.58 3nsx h GLU 628 Cb 0.95 0.06 -0.41 0.00 0.50 0.00 0.00 28.75 29.86 3nsx h GLU 628 CO 0.00 0.90 -0.51 0.09 -1.00 0.00 0.00 179.01 178.49 3nsx n ASN 629 N -3.30 4.74 -4.87 1.42 3.02 -1.26 -5.05 115.26 109.97 3nsx n ASN 629 Ca -0.12 -3.69 -0.37 0.00 -0.03 0.00 0.00 54.58 50.38 3nsx n ASN 629 Cb 1.01 -0.60 -0.06 0.00 -0.61 0.00 0.00 39.78 39.52 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 -3.55 3.64 0.32 3.52 -1.94 -1.26 -4.72 119.30 115.31 3nsx s MET 630 Ca 0.48 0.07 -0.14 0.00 -1.71 0.00 0.00 55.69 54.39 3nsx s MET 630 Cb 0.28 -3.16 -0.09 0.00 2.01 0.00 0.00 34.83 33.87 3nsx s MET 630 CO -0.14 0.71 0.73 1.14 -0.01 0.00 0.00 175.02 177.44 3nsx s GLN 631 N -1.29 3.98 -0.23 2.03 -2.07 -0.81 -4.82 119.66 116.45 3nsx s GLN 631 Ca 0.22 0.64 -0.09 0.00 -1.82 0.00 0.00 55.36 54.32 3nsx s GLN 631 Cb -0.14 -2.44 -0.04 0.00 -1.09 0.00 0.00 33.01 29.31 3nsx s GLN 631 CO 0.11 0.15 0.10 -0.51 -1.32 0.00 0.00 175.29 173.82 3nsx s LEU 632 N -3.03 3.78 -0.09 2.60 1.43 -1.26 -0.64 118.68 121.47 3nsx s LEU 632 Ca 0.54 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.61 3nsx s LEU 632 Cb -0.10 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 3nsx s LEU 632 CO 0.18 0.05 -0.05 -0.63 0.23 0.00 0.00 176.35 176.14 3nsx s ILE 633 N 1.11 3.86 -1.07 -0.59 -1.09 -0.15 -4.94 121.20 118.34 3nsx s ILE 633 Ca 0.05 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.07 3nsx s ILE 633 Cb -0.14 -2.62 0.00 0.00 -1.58 0.00 0.00 42.46 38.12 3nsx s ILE 633 CO 0.04 0.57 0.00 0.61 -1.23 0.00 0.00 174.94 174.93 3nsx n GLY 634 N 2.54 0.46 3.75 6.18 0.00 -1.26 -1.00 105.19 115.85 3nsx n GLY 634 Ca -0.18 -1.47 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.26 3.56 0.31 1.61 2.02 -0.13 -4.98 117.35 116.47 3nsx s TYR 635 Ca 0.00 0.89 -0.29 0.00 -0.37 0.00 0.00 57.07 57.30 3nsx s TYR 635 Cb 0.00 -2.47 -0.13 0.00 -0.40 0.00 0.00 41.96 38.96 3nsx s TYR 635 CO 0.00 0.29 1.31 0.39 -1.57 0.00 0.00 175.55 175.97 3nsx n GLU 636 N 3.22 2.06 -0.06 -0.62 -0.58 -1.26 -2.28 120.64 121.11 3nsx n GLU 636 Ca -0.09 0.72 0.00 0.00 -0.42 0.00 0.00 57.16 57.37 3nsx n GLU 636 Cb 0.52 -2.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.07 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 1.24 1.88 3.91 0.62 0.00 -1.14 -5.01 105.19 106.70 3nsx n GLY 637 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.30 5.52 0.19 1.61 1.04 -0.96 -4.84 113.70 112.96 3nsx s SER 638 Ca 0.00 0.80 0.07 0.00 0.48 0.00 0.00 55.95 57.29 3nsx s SER 638 Cb 0.00 -1.73 -0.05 0.00 0.10 0.00 0.00 66.02 64.34 3nsx s SER 638 CO 0.00 -1.15 -0.13 -0.44 0.98 0.00 0.00 173.24 172.50 3nsx s SER 639 N -4.33 2.34 -0.02 7.02 0.01 -1.26 -1.27 113.70 116.20 3nsx s SER 639 Ca 0.55 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.79 3nsx s SER 639 Cb -0.11 -0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.05 3nsx s SER 639 CO 0.47 -0.22 0.02 -0.47 0.41 0.00 0.00 173.24 173.44 3nsx s TYR 640 N -3.08 0.10 -0.41 2.43 5.04 0.77 -4.51 117.35 117.70 3nsx s TYR 640 Ca 0.21 0.09 -0.20 0.00 -2.44 0.00 0.00 57.07 54.73 3nsx s TYR 640 Cb 0.00 -0.27 0.02 0.00 0.35 0.00 0.00 41.96 42.05 3nsx s TYR 640 CO 0.05 -0.10 0.63 0.99 -1.34 0.00 0.00 175.55 175.78 3nsx s THR 641 N 1.02 4.87 -0.20 4.34 2.01 -1.26 -0.13 115.64 126.28 3nsx s THR 641 Ca -0.09 0.25 -0.19 0.00 0.31 0.00 0.00 61.69 61.97 3nsx s THR 641 Cb -0.13 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 3nsx s THR 641 CO -0.03 -0.49 0.56 -0.22 -0.69 0.00 0.00 174.62 173.76 3nsx s LEU 642 N 2.74 4.14 -0.16 4.42 2.96 -0.08 -4.92 118.68 127.79 3nsx s LEU 642 Ca 0.22 0.73 -0.18 0.00 -0.22 0.00 0.00 54.13 54.68 3nsx s LEU 642 Cb -0.14 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 3nsx s LEU 642 CO 0.17 -0.22 0.47 -0.47 -1.32 0.00 0.00 176.35 174.99 3nsx s TYR 643 N 1.75 3.45 -0.15 5.38 5.04 -1.26 -1.61 117.35 129.95 3nsx s TYR 643 Ca 0.26 0.81 -0.06 0.00 -2.44 0.00 0.00 57.07 55.63 3nsx s TYR 643 Cb -0.16 -2.57 0.07 0.00 0.35 0.00 0.00 41.96 39.65 3nsx s TYR 643 CO 0.10 0.07 0.32 -2.00 -1.34 0.00 0.00 175.55 172.69 3nsx s GLU 644 N 1.01 0.24 0.00 4.97 2.12 0.47 -4.23 118.70 123.28 3nsx s GLU 644 Ca 0.24 0.78 0.00 0.00 0.36 0.00 0.00 54.97 56.35 3nsx s GLU 644 Cb -0.15 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.27 3nsx s GLU 644 CO 0.09 -0.23 0.00 -0.40 -0.54 0.00 0.00 175.26 174.18 3nsx n ASP 645 N 4.96 1.43 0.00 -1.70 5.68 -1.26 -4.40 116.55 121.27 3nsx n ASP 645 Ca -0.13 -0.60 0.11 0.00 -0.50 0.00 0.00 54.79 53.67 3nsx n ASP 645 Cb 0.51 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 41.03 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 -0.94 0.00 0.00 -1.12 5.75 -1.26 -4.88 116.55 114.10 3nsx n ASP 646 Ca 0.00 0.31 0.00 0.00 -0.01 0.00 0.00 54.79 55.09 3nsx n ASP 646 Cb 0.00 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 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 0.86 0.85 0.49 6.12 0.00 -1.26 -4.77 105.19 107.47 3nsx n GLY 647 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.00 0.34 -2.37 -0.61 5.41 -1.26 -0.70 119.36 118.17 3nsx n ILE 648 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.65 3nsx n ILE 648 Cb 0.00 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 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 -3.03 -0.40 -2.09 1.39 8.25 -1.26 -1.89 115.22 116.18 3nsx n HIS 649 Ca -0.11 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.16 3nsx n HIS 649 Cb 0.60 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.74 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 -0.13 3.23 -2.39 -0.41 5.02 -1.07 -4.67 118.16 117.74 3nsx n LYS 650 Ca 0.00 -4.01 -0.42 0.00 -2.02 0.00 0.00 58.31 51.86 3nsx n LYS 650 Cb 0.00 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 32.88 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 -0.71 6.16 0.06 4.39 2.03 -1.26 -4.75 116.55 122.48 3nsx n ASP 651 Ca 0.38 -3.21 -0.06 0.00 0.52 0.00 0.00 54.79 52.42 3nsx n ASP 651 Cb 0.93 -1.39 -0.11 0.00 -0.72 0.00 0.00 41.12 39.83 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 5.32 0.00 -1.92 -0.67 0.05 -2.03 -3.36 116.97 114.35 3nsx h TYR 652 Ca 0.44 0.00 -0.75 0.00 0.05 0.00 0.00 58.73 58.47 3nsx h TYR 652 Cb 0.53 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 37.99 3nsx h TYR 652 CO 1.30 0.95 0.91 -3.47 -1.05 0.00 0.00 178.16 176.80 3nsx n ASP 653 N -3.32 7.31 -4.56 3.88 2.03 -1.26 -4.92 116.55 115.71 3nsx n ASP 653 Ca -0.01 -3.83 -0.34 0.00 0.52 0.00 0.00 54.79 51.14 3nsx n ASP 653 Cb 0.92 -1.02 -0.11 0.00 -0.72 0.00 0.00 41.12 40.19 3nsx n ASP 653 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3nsx s LYS 654 N -4.03 3.32 0.51 -0.67 1.02 -1.26 -5.00 119.74 113.64 3nsx s LYS 654 Ca 0.52 -0.50 0.21 0.00 0.02 0.00 0.00 55.97 56.22 3nsx s LYS 654 Cb 0.44 -2.82 1.35 0.00 -0.52 0.00 0.00 37.83 36.29 3nsx s LYS 654 CO -0.39 0.43 2.10 1.57 -0.92 0.00 0.00 175.35 178.15 3nsx h LYS 655 N 6.05 0.00 0.00 1.68 2.10 -1.95 -1.29 116.57 123.15 3nsx h LYS 655 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 3nsx h LYS 655 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3nsx h LYS 655 CO 0.59 0.09 0.00 0.93 -2.00 0.00 0.00 179.45 179.06 3nsx h GLU 656 N 0.00 0.00 0.00 0.07 3.07 -1.97 -2.19 114.58 113.56 3nsx h GLU 656 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3nsx h GLU 656 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 3nsx h GLU 656 CO 0.01 0.00 0.00 -0.91 -1.40 0.00 0.00 179.01 176.71 3nsx h ASN 657 N 0.00 0.00 -3.32 1.42 2.35 -1.44 -3.44 115.58 111.16 3nsx h ASN 657 Ca 0.00 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.09 3nsx h ASN 657 Cb 0.25 0.00 -0.29 0.00 0.05 0.00 0.00 38.32 38.34 3nsx h ASN 657 CO 0.00 0.00 -0.80 -0.31 -1.65 0.00 0.00 177.43 174.67 3nsx s TYR 658 N -3.30 2.74 -0.01 1.19 2.02 -0.83 -0.39 117.35 118.77 3nsx s TYR 658 Ca 0.05 -0.76 -0.01 0.00 -0.37 0.00 0.00 57.07 55.98 3nsx s TYR 658 Cb 0.10 -1.81 0.00 0.00 -0.40 0.00 0.00 41.96 39.85 3nsx s TYR 658 CO 0.44 -0.27 0.02 -0.98 -1.57 0.00 0.00 175.55 173.19 3nsx s ARG 659 N 0.36 0.05 -0.14 -0.62 1.70 -0.63 -4.98 118.95 114.68 3nsx s ARG 659 Ca -0.13 0.00 -0.22 0.00 -0.47 0.00 0.00 55.73 54.91 3nsx s ARG 659 Cb -0.16 0.02 -0.03 0.00 -0.57 0.00 0.00 34.95 34.21 3nsx s ARG 659 CO 0.06 -0.01 0.66 0.08 -1.08 0.00 0.00 175.30 175.02 3nsx s VAL 660 N -0.07 5.03 -0.10 4.99 1.01 -1.26 -0.90 120.40 129.09 3nsx s VAL 660 Ca -0.01 1.31 -0.03 0.00 0.00 0.00 0.00 61.98 63.25 3nsx s VAL 660 Cb -0.01 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3nsx s VAL 660 CO 0.00 0.17 0.01 -0.76 0.00 0.00 0.00 175.10 174.52 3nsx s LEU 661 N 1.42 3.59 -0.08 3.92 1.43 0.81 -4.95 118.68 124.82 3nsx s LEU 661 Ca 0.33 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 3nsx s LEU 661 Cb -0.16 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.23 3nsx s LEU 661 CO 0.13 0.34 -0.15 -0.89 0.23 0.00 0.00 176.35 176.01 3nsx s THR 662 N -0.63 1.37 -2.00 5.49 2.01 -1.26 -0.16 115.64 120.46 3nsx s THR 662 Ca 0.10 -0.60 0.31 0.00 0.31 0.00 0.00 61.69 61.81 3nsx s THR 662 Cb -0.12 -1.24 0.88 0.00 0.01 0.00 0.00 72.50 72.03 3nsx s THR 662 CO 0.02 0.41 2.18 1.17 -0.69 0.00 0.00 174.62 177.71