#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shn n GLU 2 N 0.00 2.64 -2.19 3.44 1.02 -1.26 -4.73 120.64 119.57 1shn n GLU 2 Ca 0.00 -2.17 -0.11 0.00 -0.02 0.00 0.00 57.16 54.87 1shn n GLU 2 Cb 0.00 -2.96 0.02 0.00 -0.02 0.00 0.00 31.44 28.48 1shn n GLU 2 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1shn n ASP 3 N 5.52 1.31 0.03 1.62 5.68 -1.26 -4.86 116.55 124.60 1shn n ASP 3 Ca 0.57 -1.80 -0.11 0.00 -0.50 0.00 0.00 54.79 52.94 1shn n ASP 3 Cb 0.32 -0.14 -0.05 0.00 -1.14 0.00 0.00 41.12 40.11 1shn n ASP 3 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1shn h LYS 4 N 0.00 -0.42 -0.77 0.11 3.64 -2.00 0.03 116.57 117.17 1shn h LYS 4 Ca -0.14 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1shn h LYS 4 Cb 0.61 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.47 1shn h LYS 4 CO 0.21 -0.28 0.47 0.00 -2.27 0.00 0.00 179.45 177.58 1shn h ALA 5 N 0.34 1.03 -0.68 5.00 0.00 -1.95 0.03 119.26 123.03 1shn h ALA 5 Ca 0.08 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1shn h ALA 5 Cb 0.55 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1shn h ALA 5 CO -0.30 0.21 0.43 -0.92 0.00 0.00 0.00 179.25 178.66 1shn h TYR 6 N 0.87 0.80 0.10 0.00 5.03 -1.32 -1.26 116.97 121.20 1shn h TYR 6 Ca 0.33 0.02 -0.27 0.00 2.58 0.00 0.00 58.73 61.39 1shn h TYR 6 Cb 0.13 -0.26 0.01 0.00 1.55 0.00 0.00 36.73 38.16 1shn h TYR 6 CO -0.05 0.46 -1.18 -1.49 -1.32 0.00 0.00 178.16 174.59 1shn h TRP 7 N 0.84 0.70 -0.39 -3.82 4.06 -0.91 -1.98 115.95 114.46 1shn h TRP 7 Ca 0.27 -0.46 -0.01 0.00 2.06 0.00 0.00 58.89 60.76 1shn h TRP 7 Cb 0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.09 1shn h TRP 7 CO -0.04 1.32 0.21 -0.91 -3.56 0.00 0.00 178.44 175.45 1shn h ASN 8 N 0.18 0.49 -0.37 -3.49 2.35 -0.86 -1.17 115.58 112.71 1shn h ASN 8 Ca -0.14 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 1shn h ASN 8 Cb 1.86 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 40.09 1shn h ASN 8 CO 0.21 0.45 0.19 0.50 -1.65 0.00 0.00 177.43 177.12 1shn h LYS 9 N 0.49 0.52 -0.72 0.81 3.64 -1.24 -1.30 116.57 118.77 1shn h LYS 9 Ca 0.14 -0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1shn h LYS 9 Cb 0.07 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.73 1shn h LYS 9 CO -0.02 0.45 0.41 0.22 -2.27 0.00 0.00 179.45 178.24 1shn h ASP 10 N 0.46 0.61 -0.28 4.20 3.58 -1.12 -0.50 116.42 123.37 1shn h ASP 10 Ca 0.13 0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.52 1shn h ASP 10 Cb 0.09 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1shn h ASP 10 CO -0.02 0.38 -0.19 0.00 -2.88 0.00 0.00 179.24 176.53 1shn h ALA 11 N 1.38 0.40 -0.52 -0.78 0.00 -1.16 -2.41 119.26 116.17 1shn h ALA 11 Ca 0.33 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1shn h ALA 11 Cb 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1shn h ALA 11 CO -0.20 0.33 0.15 1.96 0.00 0.00 0.00 179.25 181.50 1shn h GLN 12 N 0.36 0.77 -0.44 0.00 1.08 -0.64 0.11 115.11 116.35 1shn h GLN 12 Ca 0.06 -0.14 -0.13 0.00 -1.45 0.00 0.00 58.65 56.99 1shn h GLN 12 Cb 0.73 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 1shn h GLN 12 CO 0.05 0.67 -0.22 -0.44 -0.95 0.00 0.00 178.83 177.95 1shn h ASP 13 N 0.75 0.96 -0.50 1.46 3.32 -1.10 0.11 116.42 121.42 1shn h ASP 13 Ca 0.17 -0.40 -0.07 0.00 0.02 0.00 0.00 57.03 56.75 1shn h ASP 13 Cb 0.23 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1shn h ASP 13 CO -0.01 1.15 0.05 0.00 -1.72 0.00 0.00 179.24 178.71 1shn h ALA 14 N 0.84 1.06 -0.54 3.45 0.00 -1.01 -0.50 119.26 122.56 1shn h ALA 14 Ca 0.10 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1shn h ALA 14 Cb 0.79 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1shn h ALA 14 CO 0.07 0.60 0.17 1.25 0.00 0.00 0.00 179.25 181.33 1shn h LEU 15 N 0.84 0.78 -0.65 0.00 5.85 -0.46 -1.19 115.31 120.48 1shn h LEU 15 Ca 0.17 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1shn h LEU 15 Cb 0.43 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1shn h LEU 15 CO 0.01 0.78 0.39 0.44 -0.34 0.00 0.00 178.44 179.72 1shn h ASP 16 N 0.74 0.61 -0.61 1.25 3.32 -0.47 -0.71 116.42 120.54 1shn h ASP 16 Ca 0.17 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1shn h ASP 16 Cb 0.28 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1shn h ASP 16 CO -0.01 0.41 0.40 0.50 -1.72 0.00 0.00 179.24 178.83 1shn h LYS 17 N 0.74 0.81 -0.71 3.56 3.64 -0.54 -2.15 116.57 121.93 1shn h LYS 17 Ca 0.27 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1shn h LYS 17 Cb 0.08 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1shn h LYS 17 CO -0.13 0.54 0.39 0.37 -2.27 0.00 0.00 179.45 178.35 1shn h GLN 18 N 0.83 0.98 0.00 1.90 5.75 -0.77 -0.22 115.11 123.60 1shn h GLN 18 Ca 0.22 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1shn h GLN 18 Cb -0.09 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.27 1shn h GLN 18 CO -0.05 0.74 0.00 -0.07 -2.65 0.00 0.00 178.83 176.80 1shn h LEU 19 N 0.97 0.00 -1.50 -2.39 3.38 -0.92 -2.72 115.31 112.13 1shn h LEU 19 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1shn h LEU 19 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1shn h LEU 19 CO -0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.10 1shn n GLY 20 N 0.34 0.66 3.75 0.83 0.00 -0.11 -4.95 105.19 105.71 1shn n GLY 20 Ca 0.02 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 1shn n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1shn s ILE 21 N -1.83 2.40 -0.11 -0.61 1.01 -1.03 -5.01 121.20 116.01 1shn s ILE 21 Ca 0.34 0.35 0.02 0.00 0.00 0.00 0.00 60.65 61.37 1shn s ILE 21 Cb 0.20 -3.22 -0.00 0.00 0.01 0.00 0.00 42.46 39.44 1shn s ILE 21 CO 0.30 0.06 -0.20 -0.54 0.00 0.00 0.00 174.94 174.56 1shn s LYS 22 N -0.69 3.17 0.24 2.79 -0.14 -1.26 -5.10 119.74 118.75 1shn s LYS 22 Ca 0.59 -0.81 -0.30 0.00 -1.36 0.00 0.00 55.97 54.10 1shn s LYS 22 Cb -0.44 -2.42 -0.09 0.00 -1.68 0.00 0.00 37.83 33.20 1shn s LYS 22 CO 0.47 0.18 1.16 -0.51 -0.76 0.00 0.00 175.35 175.90 1shn s LEU 23 N 0.36 4.50 -0.63 3.17 1.43 -1.26 -4.98 118.68 121.27 1shn s LEU 23 Ca -0.16 2.29 -0.11 0.00 -1.03 0.00 0.00 54.13 55.12 1shn s LEU 23 Cb -0.17 -3.62 0.16 0.00 0.03 0.00 0.00 46.19 42.59 1shn s LEU 23 CO 0.07 -0.28 0.53 -0.13 0.23 0.00 0.00 176.35 176.77 1shn s ARG 24 N -0.94 2.95 -1.03 1.70 0.52 -1.26 -4.96 118.95 115.92 1shn s ARG 24 Ca 0.48 -2.12 -0.03 0.00 -0.52 0.00 0.00 55.73 53.55 1shn s ARG 24 Cb -0.33 -4.12 0.31 0.00 0.52 0.00 0.00 34.95 31.33 1shn s ARG 24 CO 0.40 -1.25 1.47 0.39 0.02 0.00 0.00 175.30 176.34 1shn n GLU 25 N 4.41 4.46 -3.88 3.54 1.02 -1.26 -0.84 120.64 128.09 1shn n GLU 25 Ca 0.01 -4.59 -0.09 0.00 -0.02 0.00 0.00 57.16 52.46 1shn n GLU 25 Cb 0.42 -2.48 -0.06 0.00 -0.02 0.00 0.00 31.44 29.30 1shn n GLU 25 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1shn s LYS 26 N -3.02 1.08 0.40 3.49 -2.85 -1.26 -5.05 119.74 112.53 1shn s LYS 26 Ca 0.33 -1.04 -0.27 0.00 -1.00 0.00 0.00 55.97 53.99 1shn s LYS 26 Cb 0.08 0.39 -0.10 0.00 -2.06 0.00 0.00 37.83 36.14 1shn s LYS 26 CO 0.06 -0.39 1.42 -1.14 0.10 0.00 0.00 175.35 175.40 1shn s GLN 27 N -3.91 4.00 -0.24 1.78 0.74 -1.26 -4.57 119.66 116.19 1shn s GLN 27 Ca 0.12 2.42 -0.23 0.00 0.05 0.00 0.00 55.36 57.72 1shn s GLN 27 Cb 0.03 -2.86 -0.01 0.00 1.10 0.00 0.00 33.01 31.27 1shn s GLN 27 CO -0.05 -0.57 0.76 0.00 -0.55 0.00 0.00 175.29 174.88 1shn s ALA 28 N -1.17 3.63 -0.07 1.58 0.00 0.94 -4.78 121.76 121.88 1shn s ALA 28 Ca 0.55 -0.23 -0.24 0.00 0.00 0.00 0.00 51.96 52.04 1shn s ALA 28 Cb -0.44 -3.19 -0.29 0.00 0.00 0.00 0.00 23.12 19.21 1shn s ALA 28 CO 0.58 -0.86 0.88 -0.22 0.00 0.00 0.00 175.76 176.15 1shn h LYS 29 N 7.72 0.22 -6.71 0.00 3.64 -1.43 -3.39 116.57 116.62 1shn h LYS 29 Ca -0.25 -0.34 -0.68 0.00 -1.27 0.00 0.00 60.65 58.11 1shn h LYS 29 Cb 1.11 0.12 -0.20 0.00 -0.41 0.00 0.00 32.23 32.85 1shn h LYS 29 CO 0.83 1.14 -0.81 -0.80 -2.27 0.00 0.00 179.45 177.54 1shn s ASN 30 N -6.70 3.76 -0.08 4.20 0.01 -0.69 -3.22 114.94 112.22 1shn s ASN 30 Ca -0.15 -0.55 -0.01 0.00 -0.71 0.00 0.00 52.86 51.44 1shn s ASN 30 Cb -0.00 -0.51 0.03 0.00 0.41 0.00 0.00 41.25 41.17 1shn s ASN 30 CO 0.79 0.20 -0.03 -0.69 -1.51 0.00 0.00 177.10 175.86 1shn s VAL 31 N -1.06 0.62 -0.15 1.60 1.01 -0.43 -0.51 120.40 121.47 1shn s VAL 31 Ca 0.16 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1shn s VAL 31 Cb -0.10 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.57 1shn s VAL 31 CO 0.08 0.30 -0.20 -0.63 0.00 0.00 0.00 175.10 174.64 1shn s ILE 32 N 1.80 2.16 -0.26 2.22 1.01 0.13 -0.84 121.20 127.41 1shn s ILE 32 Ca 0.04 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1shn s ILE 32 Cb -0.13 -1.88 0.05 0.00 0.01 0.00 0.00 42.46 40.52 1shn s ILE 32 CO -0.06 0.54 -0.08 0.12 0.00 0.00 0.00 174.94 175.46 1shn s PHE 33 N 0.91 3.22 -0.10 3.97 2.19 0.33 -1.84 117.98 126.66 1shn s PHE 33 Ca -0.04 -2.10 -0.12 0.00 0.33 0.00 0.00 56.93 54.99 1shn s PHE 33 Cb -0.15 -1.98 -0.05 0.00 -1.31 0.00 0.00 43.02 39.53 1shn s PHE 33 CO -0.04 -0.84 0.27 -0.06 1.83 0.00 0.00 175.22 176.38 1shn s PHE 34 N 1.17 3.59 -0.18 10.12 0.40 0.19 -1.14 117.98 132.13 1shn s PHE 34 Ca -0.06 0.69 -0.00 0.00 -0.60 0.00 0.00 56.93 56.95 1shn s PHE 34 Cb -0.19 -2.18 0.04 0.00 0.51 0.00 0.00 43.02 41.20 1shn s PHE 34 CO -0.04 0.53 -0.06 -1.17 0.70 0.00 0.00 175.22 175.17 1shn s LEU 35 N -0.51 1.83 -0.50 -0.37 1.98 -0.19 -1.21 118.68 119.71 1shn s LEU 35 Ca 0.18 -0.75 -0.20 0.00 -2.89 0.00 0.00 54.13 50.46 1shn s LEU 35 Cb -0.14 -1.01 0.05 0.00 0.66 0.00 0.00 46.19 45.75 1shn s LEU 35 CO 0.07 -0.18 0.68 -0.83 -1.89 0.00 0.00 176.35 174.20 1shn s GLY 36 N 1.56 1.70 -0.20 7.98 0.00 -0.31 -0.87 107.32 117.17 1shn s GLY 36 Ca -0.00 -1.55 -0.29 0.00 0.00 0.00 0.00 44.72 42.87 1shn s GLY 36 CO -0.08 1.58 1.34 -0.35 0.00 0.00 0.00 173.10 175.60 1shn s ASP 37 N 2.57 6.78 -0.33 1.64 -1.08 -0.67 -2.15 116.67 123.43 1shn s ASP 37 Ca 0.19 1.58 0.00 0.00 -0.52 0.00 0.00 52.55 53.80 1shn s ASP 37 Cb -0.17 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 1shn s ASP 37 CO 0.14 -0.92 0.00 0.61 0.52 0.00 0.00 175.17 175.52 1shn n GLY 38 N 3.98 0.62 3.50 2.66 0.00 -1.11 -1.39 105.19 113.45 1shn n GLY 38 Ca 0.15 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1shn n GLY 38 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1shn s MET 39 N -1.75 3.91 1.09 1.61 1.75 -0.91 -3.44 119.30 121.56 1shn s MET 39 Ca 0.00 -2.12 -0.12 0.00 -1.25 0.00 0.00 55.69 52.20 1shn s MET 39 Cb 0.00 -5.17 0.24 0.00 2.84 0.00 0.00 34.83 32.74 1shn s MET 39 CO 0.00 -1.92 1.03 -1.13 -0.65 0.00 0.00 175.02 172.35 1shn n SER 40 N 6.80 -1.07 -0.33 1.11 3.41 -1.26 -4.70 113.62 117.58 1shn n SER 40 Ca 0.36 0.04 -0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1shn n SER 40 Cb 0.46 -1.33 0.17 0.00 -0.26 0.00 0.00 64.21 63.25 1shn n SER 40 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1shn h LEU 41 N -2.41 1.04 -1.16 1.04 3.38 -1.94 -1.71 115.31 113.56 1shn h LEU 41 Ca -0.55 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.34 1shn h LEU 41 Cb 1.31 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1shn h LEU 41 CO 0.46 0.74 -0.05 0.77 0.09 0.00 0.00 178.44 180.45 1shn h SER 42 N 1.22 0.50 -0.50 -0.43 4.64 -1.91 -1.52 113.55 115.56 1shn h SER 42 Ca 0.35 -0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.51 1shn h SER 42 Cb -0.08 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 1shn h SER 42 CO -0.09 0.61 0.15 0.74 -0.87 0.00 0.00 176.83 177.37 1shn h THR 43 N 0.50 1.22 -0.24 2.95 2.02 -1.66 0.33 112.91 118.02 1shn h THR 43 Ca 0.10 -0.80 -0.09 0.00 0.77 0.00 0.00 66.41 66.39 1shn h THR 43 Cb 0.40 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1shn h THR 43 CO 0.02 0.30 -0.20 0.58 0.37 0.00 0.00 175.52 176.58 1shn h VAL 44 N 0.82 1.31 -0.23 3.16 2.07 -0.56 0.11 116.25 122.93 1shn h VAL 44 Ca 0.18 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1shn h VAL 44 Cb 0.28 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1shn h VAL 44 CO -0.00 0.42 0.08 0.74 0.02 0.00 0.00 177.57 178.82 1shn h THR 45 N 0.28 1.19 -0.56 2.57 2.02 -1.10 0.11 112.91 117.41 1shn h THR 45 Ca 0.04 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1shn h THR 45 Cb 0.75 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 1shn h THR 45 CO 0.05 0.19 0.36 0.00 0.37 0.00 0.00 175.52 176.50 1shn h ALA 46 N 0.91 0.71 -0.28 6.16 0.00 -0.90 -2.25 119.26 123.61 1shn h ALA 46 Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1shn h ALA 46 Cb 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1shn h ALA 46 CO -0.00 0.17 -0.16 0.00 0.00 0.00 0.00 179.25 179.26 1shn h ALA 47 N 1.19 1.22 -0.40 0.00 0.00 -0.39 -0.12 119.26 120.76 1shn h ALA 47 Ca 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1shn h ALA 47 Cb -0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1shn h ALA 47 CO -0.04 0.51 0.25 -0.09 0.00 0.00 0.00 179.25 179.88 1shn h ARG 48 N 0.44 0.53 -0.35 0.00 2.43 -0.29 0.12 114.38 117.26 1shn h ARG 48 Ca 0.08 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 1shn h ARG 48 Cb 0.53 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1shn h ARG 48 CO 0.03 0.37 -0.25 0.82 -1.51 0.00 0.00 179.97 179.44 1shn h ILE 49 N 0.53 1.27 0.04 1.20 2.04 -0.83 -1.18 117.51 120.59 1shn h ILE 49 Ca 0.14 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1shn h ILE 49 Cb -0.03 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1shn h ILE 49 CO -0.03 0.45 -0.03 0.22 0.00 0.00 0.00 178.15 178.75 1shn h TYR 50 N 0.62 -0.08 -0.96 1.37 3.20 -0.64 -0.60 116.97 119.87 1shn h TYR 50 Ca 0.08 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.00 1shn h TYR 50 Cb 0.75 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.99 1shn h TYR 50 CO 0.04 -0.05 0.62 -0.22 -1.64 0.00 0.00 178.16 176.91 1shn h LYS 51 N -0.08 1.15 -0.11 1.82 3.64 -0.56 -1.58 116.57 120.85 1shn h LYS 51 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1shn h LYS 51 Cb 0.07 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1shn h LYS 51 CO -0.00 0.76 0.07 0.78 -2.27 0.00 0.00 179.45 178.79 1shn h GLY 52 N 1.18 0.16 2.00 5.01 0.00 -0.16 -0.28 103.07 110.97 1shn h GLY 52 Ca 0.40 -0.06 -0.10 0.00 0.00 0.00 0.00 47.33 47.56 1shn h GLY 52 CO -0.14 0.06 -0.49 -1.33 0.00 0.00 0.00 176.54 174.64 1shn h GLY 53 N 0.15 0.00 1.62 4.60 0.00 -0.11 0.47 103.07 109.80 1shn h GLY 53 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.12 1shn h GLY 53 CO -0.01 0.00 -1.27 1.41 0.00 0.00 0.00 176.54 176.68 1shn h LEU 54 N 0.00 0.07 0.00 3.11 3.38 -0.99 -3.33 115.31 117.55 1shn h LEU 54 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1shn h LEU 54 Cb 0.89 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1shn h LEU 54 CO 0.06 1.07 -0.91 0.35 0.09 0.00 0.00 178.44 179.11 1shn n THR 55 N -3.29 0.03 -0.84 0.22 -2.24 -0.65 -4.96 114.28 102.55 1shn n THR 55 Ca -0.07 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1shn n THR 55 Cb 0.99 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 1shn n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1shn n GLY 56 N 1.47 0.61 0.07 3.38 0.00 -0.04 -4.90 105.19 105.78 1shn n GLY 56 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1shn n GLY 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1shn n LYS 57 N -2.75 0.55 0.00 1.61 5.02 -0.87 -5.03 118.16 116.69 1shn n LYS 57 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1shn n LYS 57 Cb 0.00 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 1shn n LYS 57 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1shn n PHE 58 N -2.41 0.00 0.24 2.13 3.72 -0.10 -2.12 117.46 118.93 1shn n PHE 58 Ca -0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.52 1shn n PHE 58 Cb 0.53 0.01 0.64 0.00 -0.94 0.00 0.00 39.48 39.71 1shn n PHE 58 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1shn h GLU 59 N 0.00 0.00 0.00 -1.08 3.07 -1.89 0.30 114.58 114.98 1shn h GLU 59 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1shn h GLU 59 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1shn h GLU 59 CO 0.00 0.00 -0.37 0.54 -1.40 0.00 0.00 179.01 177.78 1shn n ARG 60 N -2.38 0.13 -0.64 2.33 5.12 -0.90 -4.92 116.66 115.40 1shn n ARG 60 Ca -0.01 0.06 -0.31 0.00 -1.93 0.00 0.00 57.85 55.66 1shn n ARG 60 Cb 0.09 -1.60 0.19 0.00 -1.16 0.00 0.00 32.46 29.98 1shn n ARG 60 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1shn n GLU 61 N -1.80 -0.98 -4.51 5.56 4.07 0.10 -5.05 120.64 118.03 1shn n GLU 61 Ca 0.05 -0.23 -0.21 0.00 -0.06 0.00 0.00 57.16 56.71 1shn n GLU 61 Cb 0.38 -2.25 -0.15 0.00 -0.06 0.00 0.00 31.44 29.36 1shn n GLU 61 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1shn s LYS 62 N -4.44 0.95 0.32 5.31 1.02 -1.26 -4.94 119.74 116.70 1shn s LYS 62 Ca 0.66 -0.41 -0.27 0.00 0.02 0.00 0.00 55.97 55.97 1shn s LYS 62 Cb -0.23 -0.91 -0.09 0.00 -0.52 0.00 0.00 37.83 36.07 1shn s LYS 62 CO 0.61 0.24 1.00 0.42 -0.92 0.00 0.00 175.35 176.70 1shn s ILE 63 N -0.24 3.90 0.26 2.17 -1.09 -1.26 -4.95 121.20 120.00 1shn s ILE 63 Ca 0.04 1.66 -0.01 0.00 -2.23 0.00 0.00 60.65 60.11 1shn s ILE 63 Cb -0.05 -3.96 0.24 0.00 -1.58 0.00 0.00 42.46 37.11 1shn s ILE 63 CO -0.00 0.21 1.77 0.77 -1.23 0.00 0.00 174.94 176.45 1shn h SER 64 N 3.27 0.57 0.38 3.58 4.64 -2.00 0.14 113.55 124.12 1shn h SER 64 Ca -0.47 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1shn h SER 64 Cb 1.20 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1shn h SER 64 CO 0.65 0.25 0.00 -2.67 -0.87 0.00 0.00 176.83 174.19 1shn n TRP 65 N -4.84 0.00 1.14 4.77 2.14 -1.26 -2.22 117.44 117.17 1shn n TRP 65 Ca 0.17 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.88 1shn n TRP 65 Cb 0.42 -0.21 0.62 0.00 -0.81 0.00 0.00 31.31 31.32 1shn n TRP 65 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1shn n GLU 66 N -1.21 0.16 0.17 -2.67 1.02 0.47 -1.85 120.64 116.74 1shn n GLU 66 Ca 0.15 -0.02 0.13 0.00 -0.02 0.00 0.00 57.16 57.41 1shn n GLU 66 Cb 0.19 -1.50 0.47 0.00 -0.02 0.00 0.00 31.44 30.58 1shn n GLU 66 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1shn h GLU 67 N 0.05 0.00 -7.09 3.49 4.39 -1.49 -3.46 114.58 110.46 1shn h GLU 67 Ca 0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 1shn h GLU 67 Cb 0.44 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.19 1shn h GLU 67 CO 0.00 0.00 0.47 -0.06 -1.16 0.00 0.00 179.01 178.26 1shn s PHE 68 N -3.33 2.44 -0.39 4.33 0.08 -0.77 -4.96 117.98 115.38 1shn s PHE 68 Ca 0.06 1.52 0.22 0.00 0.12 0.00 0.00 56.93 58.84 1shn s PHE 68 Cb 0.09 -3.46 0.29 0.00 -0.57 0.00 0.00 43.02 39.37 1shn s PHE 68 CO 0.52 -2.11 1.56 -0.44 -0.10 0.00 0.00 175.22 174.65 1shn h ASP 69 N 0.97 0.00 -3.36 1.36 3.32 -1.89 -3.45 116.42 113.37 1shn h ASP 69 Ca -0.50 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 55.89 1shn h ASP 69 Cb 1.29 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.57 1shn h ASP 69 CO 0.56 0.08 -0.73 -0.36 -1.72 0.00 0.00 179.24 177.06 1shn s PHE 70 N -3.17 2.93 0.19 4.55 0.08 -1.25 -5.06 117.98 116.25 1shn s PHE 70 Ca 0.06 -0.89 0.10 0.00 0.12 0.00 0.00 56.93 56.32 1shn s PHE 70 Cb 0.06 -2.05 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 1shn s PHE 70 CO 0.69 -0.48 -0.21 0.00 -0.10 0.00 0.00 175.22 175.12 1shn s ALA 71 N 1.22 2.30 0.24 5.36 0.00 -1.26 -1.52 121.76 128.09 1shn s ALA 71 Ca 0.03 -1.59 -0.16 0.00 0.00 0.00 0.00 51.96 50.23 1shn s ALA 71 Cb -0.14 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.74 1shn s ALA 71 CO -0.02 0.32 0.54 0.00 0.00 0.00 0.00 175.76 176.60 1shn s ALA 72 N -1.94 -0.67 0.06 0.00 0.00 0.11 -4.39 121.76 114.92 1shn s ALA 72 Ca 0.19 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1shn s ALA 72 Cb -0.07 0.95 -0.04 0.00 0.00 0.00 0.00 23.12 23.96 1shn s ALA 72 CO 0.09 -0.88 -0.03 -0.51 0.00 0.00 0.00 175.76 174.43 1shn s LEU 73 N -2.95 3.33 -0.09 0.00 1.43 -0.72 -0.15 118.68 119.53 1shn s LEU 73 Ca 0.16 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1shn s LEU 73 Cb -0.02 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.21 1shn s LEU 73 CO 0.05 0.22 -0.10 -0.55 0.23 0.00 0.00 176.35 176.20 1shn s SER 74 N -1.95 2.00 -0.35 2.29 0.15 0.30 -1.26 113.70 114.89 1shn s SER 74 Ca 0.22 -0.31 -0.22 0.00 0.70 0.00 0.00 55.95 56.34 1shn s SER 74 Cb -0.11 -0.85 0.00 0.00 -1.71 0.00 0.00 66.02 63.35 1shn s SER 74 CO 0.14 -0.05 0.73 -0.54 1.20 0.00 0.00 173.24 174.72 1shn s LYS 75 N 1.21 3.78 0.00 5.44 1.02 0.12 -1.84 119.74 129.46 1shn s LYS 75 Ca -0.04 0.29 0.23 0.00 0.02 0.00 0.00 55.97 56.47 1shn s LYS 75 Cb -0.14 -3.79 0.10 0.00 -0.52 0.00 0.00 37.83 33.48 1shn s LYS 75 CO -0.03 -0.77 1.15 0.25 -0.92 0.00 0.00 175.35 175.02 1shn n THR 76 N 5.67 0.00 -1.50 2.17 -2.24 -1.26 -1.17 114.28 115.95 1shn n THR 76 Ca 0.02 -0.19 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 1shn n THR 76 Cb 0.48 1.04 0.02 0.00 -2.10 0.00 0.00 70.33 69.78 1shn n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1shn n TYR 77 N -0.42 -0.18 -3.73 4.78 4.11 -1.25 -4.33 117.16 116.14 1shn n TYR 77 Ca 0.09 0.51 -0.00 0.00 -0.00 0.00 0.00 57.90 58.50 1shn n TYR 77 Cb 0.42 -2.03 -0.00 0.00 -0.00 0.00 0.00 39.34 37.73 1shn n TYR 77 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.86 177.13 1shn n ASN 78 N 0.66 1.46 0.02 9.48 0.23 -0.76 -4.95 115.26 121.39 1shn n ASN 78 Ca 0.11 -1.01 0.13 0.00 -0.53 0.00 0.00 54.58 53.28 1shn n ASN 78 Cb 0.43 0.00 0.53 0.00 -2.08 0.00 0.00 39.78 38.67 1shn n ASN 78 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1shn n THR 79 N -0.28 0.28 0.00 5.53 -2.24 -0.98 -3.95 114.28 112.63 1shn n THR 79 Ca -0.00 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1shn n THR 79 Cb 0.00 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 1shn n THR 79 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1shn n ASP 80 N -1.61 0.02 -4.14 3.42 5.75 -1.26 -4.92 116.55 113.81 1shn n ASP 80 Ca 0.06 -0.16 -0.19 0.00 -0.01 0.00 0.00 54.79 54.49 1shn n ASP 80 Cb 0.32 0.33 -0.13 0.00 -1.03 0.00 0.00 41.12 40.61 1shn n ASP 80 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1shn s LYS 81 N -0.33 0.85 0.16 0.11 -0.14 -1.25 -5.00 119.74 114.13 1shn s LYS 81 Ca 0.00 -0.80 -0.12 0.00 -1.36 0.00 0.00 55.97 53.70 1shn s LYS 81 Cb 0.00 -0.84 0.03 0.00 -1.68 0.00 0.00 37.83 35.34 1shn s LYS 81 CO 0.00 0.20 1.62 1.96 -0.76 0.00 0.00 175.35 178.37 1shn h GLN 82 N 4.75 0.90 -4.69 1.68 4.20 -1.97 -2.02 115.11 117.96 1shn h GLN 82 Ca -0.38 -0.27 -0.69 0.00 0.06 0.00 0.00 58.65 57.36 1shn h GLN 82 Cb 1.19 -0.09 -0.31 0.00 0.30 0.00 0.00 27.48 28.57 1shn h GLN 82 CO 0.43 0.91 -0.64 0.08 -0.67 0.00 0.00 178.83 178.94 1shn s VAL 83 N -5.07 3.39 0.54 -0.54 1.01 -1.26 -3.92 120.40 114.55 1shn s VAL 83 Ca -0.12 -1.34 -0.16 0.00 0.00 0.00 0.00 61.98 60.35 1shn s VAL 83 Cb 0.12 -2.98 -0.07 0.00 0.00 0.00 0.00 36.38 33.46 1shn s VAL 83 CO 0.82 -0.21 1.01 0.28 0.00 0.00 0.00 175.10 177.01 1shn s THR 84 N 1.31 4.32 0.79 3.92 -1.32 -1.26 -4.97 115.64 118.43 1shn s THR 84 Ca -0.02 1.11 -0.06 0.00 -1.21 0.00 0.00 61.69 61.52 1shn s THR 84 Cb -0.20 -3.62 0.15 0.00 -1.51 0.00 0.00 72.50 67.31 1shn s THR 84 CO 0.00 -0.63 1.10 1.51 -2.21 0.00 0.00 174.62 174.39 1shn s ASP 85 N -2.98 3.99 0.35 8.08 -4.77 -1.26 -4.87 116.67 115.21 1shn s ASP 85 Ca 0.60 -0.13 0.14 0.00 -3.30 0.00 0.00 52.55 49.86 1shn s ASP 85 Cb -0.12 -0.16 0.66 0.00 -1.09 0.00 0.00 42.92 42.21 1shn s ASP 85 CO 0.33 -2.12 1.77 0.28 0.70 0.00 0.00 175.17 176.13 1shn h SER 86 N -0.88 0.00 0.31 2.11 0.02 -1.98 -3.00 113.55 110.14 1shn h SER 86 Ca -0.39 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.54 1shn h SER 86 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1shn h SER 86 CO 0.40 0.43 -0.15 0.00 -1.14 0.00 0.00 176.83 176.37 1shn h ALA 87 N 1.57 -0.42 -0.26 3.77 0.00 -1.88 -1.81 119.26 120.24 1shn h ALA 87 Ca -0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1shn h ALA 87 Cb 0.79 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1shn h ALA 87 CO 0.06 -0.53 -0.21 0.00 0.00 0.00 0.00 179.25 178.57 1shn h ALA 88 N -0.37 1.14 -0.35 0.00 0.00 -1.65 -1.70 119.26 116.33 1shn h ALA 88 Ca -0.04 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1shn h ALA 88 Cb 0.52 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1shn h ALA 88 CO 0.07 0.54 -0.30 0.66 0.00 0.00 0.00 179.25 180.22 1shn h SER 89 N 0.44 0.87 -0.70 0.00 4.64 -1.58 -2.30 113.55 114.91 1shn h SER 89 Ca 0.07 -0.46 -0.01 0.00 -0.47 0.00 0.00 61.79 60.92 1shn h SER 89 Cb 0.62 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 1shn h SER 89 CO 0.04 1.15 0.39 0.00 -0.87 0.00 0.00 176.83 177.54 1shn h ALA 90 N 0.75 1.33 -0.95 5.18 0.00 -0.95 0.10 119.26 124.73 1shn h ALA 90 Ca 0.06 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1shn h ALA 90 Cb 0.88 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1shn h ALA 90 CO 0.08 0.54 0.62 1.15 0.00 0.00 0.00 179.25 181.64 1shn h THR 91 N 1.00 1.12 0.59 0.00 2.02 -1.10 0.11 112.91 116.66 1shn h THR 91 Ca 0.25 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1shn h THR 91 Cb 0.03 -0.14 0.01 0.00 -1.74 0.00 0.00 68.15 66.31 1shn h THR 91 CO -0.04 0.21 -0.29 0.00 0.37 0.00 0.00 175.52 175.78 1shn h ALA 92 N 1.41 -0.80 0.00 6.16 0.00 -0.40 0.40 119.26 126.03 1shn h ALA 92 Ca 0.40 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1shn h ALA 92 Cb 0.08 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1shn h ALA 92 CO -0.15 -0.79 0.00 2.48 0.00 0.00 0.00 179.25 180.80 1shn n TYR 93 N -5.33 0.00 -0.04 0.00 0.18 0.15 -0.89 117.16 111.23 1shn n TYR 93 Ca -0.11 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.64 1shn n TYR 93 Cb 0.34 -0.43 -0.07 0.00 -0.38 0.00 0.00 39.34 38.80 1shn n TYR 93 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1shn n LEU 94 N -1.43 0.00 -0.08 -3.48 4.77 0.01 -3.97 117.00 112.83 1shn n LEU 94 Ca 0.09 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.12 1shn n LEU 94 Cb 0.29 0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 1shn n LEU 94 CO 0.24 0.19 0.05 0.35 -1.33 0.00 0.00 177.39 176.90 1shn n THR 95 N -2.26 0.00 -0.69 -5.08 -2.24 0.14 -0.92 114.28 103.22 1shn n THR 95 Ca -0.13 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1shn n THR 95 Cb 0.72 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 1shn n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1shn n GLY 96 N 1.14 0.63 2.94 3.38 0.00 -0.07 -4.54 105.19 108.67 1shn n GLY 96 Ca 0.03 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 1shn n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1shn s VAL 97 N -2.00 0.49 0.43 1.61 1.01 -1.24 -4.76 120.40 115.94 1shn s VAL 97 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 1shn s VAL 97 Cb 0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 36.38 35.86 1shn s VAL 97 CO 0.00 0.17 0.82 -0.54 0.00 0.00 0.00 175.10 175.55 1shn s LYS 98 N 0.24 3.81 0.37 2.72 1.02 -1.26 -2.39 119.74 124.25 1shn s LYS 98 Ca -0.03 0.58 -0.06 0.00 0.02 0.00 0.00 55.97 56.48 1shn s LYS 98 Cb -0.07 -2.33 0.02 0.00 -0.52 0.00 0.00 37.83 34.93 1shn s LYS 98 CO -0.00 -0.10 0.58 -0.08 -0.92 0.00 0.00 175.35 174.83 1shn s THR 99 N -2.45 0.00 0.63 2.17 -1.32 -1.26 -4.37 115.64 109.04 1shn s THR 99 Ca 0.53 -1.41 -0.15 0.00 -1.21 0.00 0.00 61.69 59.44 1shn s THR 99 Cb -0.10 -2.76 -0.02 0.00 -1.51 0.00 0.00 72.50 68.11 1shn s THR 99 CO 0.32 0.00 1.08 0.20 -2.21 0.00 0.00 174.62 174.01 1shn s ASN 100 N -3.20 5.49 -0.04 8.08 0.01 -1.26 -2.33 114.94 121.69 1shn s ASN 100 Ca 0.26 1.87 -0.38 0.00 -0.71 0.00 0.00 52.86 53.90 1shn s ASN 100 Cb -0.02 -2.54 -0.16 0.00 0.41 0.00 0.00 41.25 38.94 1shn s ASN 100 CO 0.18 -1.37 1.48 1.67 -1.51 0.00 0.00 177.10 177.55 1shn n GLN 101 N -2.28 1.16 -0.43 -0.60 -0.06 -1.26 -1.86 117.38 112.04 1shn n GLN 101 Ca 0.09 0.42 0.00 0.00 -2.00 0.00 0.00 57.00 55.51 1shn n GLN 101 Cb 0.53 -2.08 0.00 0.00 -4.06 0.00 0.00 30.24 24.63 1shn n GLN 101 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1shn n GLY 102 N 3.09 1.00 3.83 1.69 0.00 -1.26 -4.82 105.19 108.72 1shn n GLY 102 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1shn n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1shn s VAL 103 N -3.00 5.18 -0.12 1.61 1.01 -0.78 -1.03 120.40 123.27 1shn s VAL 103 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1shn s VAL 103 Cb 0.00 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 33.12 1shn s VAL 103 CO 0.00 0.55 -0.13 -0.63 0.00 0.00 0.00 175.10 174.89 1shn s ILE 104 N -1.06 1.36 -1.30 2.22 1.01 -0.93 -3.21 121.20 119.29 1shn s ILE 104 Ca 0.17 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1shn s ILE 104 Cb -0.12 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.07 1shn s ILE 104 CO 0.07 0.42 0.00 0.61 0.00 0.00 0.00 174.94 176.04 1shn n GLY 105 N 4.52 1.26 3.15 6.18 0.00 -1.26 -1.20 105.19 117.84 1shn n GLY 105 Ca -0.17 -0.45 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 1shn n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1shn s LEU 106 N -2.85 2.30 0.00 0.99 1.43 -1.26 -1.08 118.68 118.21 1shn s LEU 106 Ca 0.00 -0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 52.34 1shn s LEU 106 Cb 0.00 -0.38 0.18 0.00 0.03 0.00 0.00 46.19 46.02 1shn s LEU 106 CO 0.00 -0.15 1.09 -0.90 0.23 0.00 0.00 176.35 176.62 1shn n ASP 107 N 1.14 0.38 0.00 2.29 5.75 -0.20 -4.77 116.55 121.15 1shn n ASP 107 Ca -0.20 -1.58 0.06 0.00 -0.01 0.00 0.00 54.79 53.06 1shn n ASP 107 Cb 0.55 -0.81 0.34 0.00 -1.03 0.00 0.00 41.12 40.18 1shn n ASP 107 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1shn n ALA 108 N -3.53 1.82 0.26 2.12 0.00 -1.26 -2.09 120.51 117.82 1shn n ALA 108 Ca -0.18 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.33 1shn n ALA 108 Cb 0.51 -1.21 0.66 0.00 0.00 0.00 0.00 19.45 19.41 1shn n ALA 108 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1shn h ASN 109 N 0.00 0.00 -3.06 0.00 2.35 -1.96 -3.45 115.58 109.46 1shn h ASN 109 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1shn h ASN 109 Cb 0.09 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.53 1shn h ASN 109 CO 0.00 0.13 0.93 -0.89 -1.65 0.00 0.00 177.43 175.95 1shn s THR 110 N -3.92 2.11 -0.28 2.81 2.01 -0.89 -4.98 115.64 112.51 1shn s THR 110 Ca -0.01 0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.97 1shn s THR 110 Cb 0.11 -3.06 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 1shn s THR 110 CO 0.59 0.01 0.19 -0.69 -0.69 0.00 0.00 174.62 174.03 1shn s VAL 111 N 0.49 5.31 0.31 3.82 1.01 -1.26 -4.89 120.40 125.19 1shn s VAL 111 Ca 0.68 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.54 1shn s VAL 111 Cb -0.48 -3.53 -0.12 0.00 0.00 0.00 0.00 36.38 32.25 1shn s VAL 111 CO 0.41 0.25 1.43 -1.14 0.00 0.00 0.00 175.10 176.06 1shn n ARG 112 N 5.03 2.37 -0.58 2.72 0.63 -1.26 -1.73 116.66 123.84 1shn n ARG 112 Ca -0.14 0.84 0.00 0.00 -0.92 0.00 0.00 57.85 57.63 1shn n ARG 112 Cb 0.52 -2.52 0.00 0.00 0.45 0.00 0.00 32.46 30.91 1shn n ARG 112 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1shn n THR 113 N 1.15 0.00 -3.43 5.15 -1.04 0.65 -4.98 114.28 111.78 1shn n THR 113 Ca 0.06 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.64 1shn n THR 113 Cb 0.36 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.80 1shn n THR 113 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1shn s ASN 114 N -3.23 5.96 0.56 8.00 3.84 -0.70 -4.96 114.94 124.41 1shn s ASN 114 Ca 0.00 -1.83 0.24 0.00 0.21 0.00 0.00 52.86 51.48 1shn s ASN 114 Cb 0.00 -2.11 1.50 0.00 -0.55 0.00 0.00 41.25 40.09 1shn s ASN 114 CO 0.00 -0.77 2.11 0.00 -2.79 0.00 0.00 177.10 175.65 1shn h SER 116 N 0.00 0.39 0.59 0.00 0.02 -1.95 0.33 113.55 112.93 1shn h SER 116 Ca 0.09 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1shn h SER 116 Cb 0.40 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 1shn h SER 116 CO -0.00 0.10 -0.12 1.88 -1.14 0.00 0.00 176.83 177.55 1shn h TYR 117 N 0.36 0.00 -0.01 3.45 0.05 -1.70 -1.25 116.97 117.87 1shn h TYR 117 Ca 0.55 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.33 1shn h TYR 117 Cb 1.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.21 1shn h TYR 117 CO -0.00 0.12 -0.00 0.00 -1.05 0.00 0.00 178.16 177.22 1shn n GLN 118 N -3.44 1.32 0.00 4.88 10.64 0.12 -2.76 117.38 128.15 1shn n GLN 118 Ca -0.01 -0.49 0.12 0.00 -1.83 0.00 0.00 57.00 54.79 1shn n GLN 118 Cb 0.29 -1.49 0.20 0.00 -0.86 0.00 0.00 30.24 28.38 1shn n GLN 118 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1shn n LEU 119 N -0.41 0.56 -4.32 2.61 4.77 -0.47 -4.82 117.00 114.93 1shn n LEU 119 Ca 0.21 -0.06 -0.44 0.00 -0.03 0.00 0.00 56.01 55.69 1shn n LEU 119 Cb 0.24 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 1shn n LEU 119 CO 0.17 0.14 0.06 -0.62 -1.33 0.00 0.00 177.39 175.81 1shn s ASP 120 N -3.02 6.06 0.58 -1.43 -1.08 -1.11 -4.91 116.67 111.76 1shn s ASP 120 Ca 0.11 -1.64 0.29 0.00 -0.52 0.00 0.00 52.55 50.79 1shn s ASP 120 Cb 0.17 -2.15 1.78 0.00 -1.46 0.00 0.00 42.92 41.26 1shn s ASP 120 CO 0.72 -0.74 2.24 -0.33 0.52 0.00 0.00 175.17 177.58 1shn h GLU 121 N 8.74 0.00 0.00 4.34 5.08 -1.87 -0.42 114.58 130.45 1shn h GLU 121 Ca -0.28 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 1shn h GLU 121 Cb 1.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1shn h GLU 121 CO 0.94 0.01 -0.14 0.66 -1.00 0.00 0.00 179.01 179.48 1shn h SER 122 N 0.00 0.00 -0.03 1.42 4.64 -1.96 -1.81 113.55 115.82 1shn h SER 122 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1shn h SER 122 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1shn h SER 122 CO 0.00 0.14 0.00 0.18 -0.87 0.00 0.00 176.83 176.28 1shn n LEU 123 N -3.84 1.44 -4.76 5.97 4.77 -0.17 -4.95 117.00 115.45 1shn n LEU 123 Ca -0.02 -0.49 -0.40 0.00 -0.03 0.00 0.00 56.01 55.07 1shn n LEU 123 Cb 0.24 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1shn n LEU 123 CO 0.32 0.25 0.89 -0.36 -1.33 0.00 0.00 177.39 177.15 1shn s PHE 124 N -1.98 3.28 0.07 -1.77 0.40 -0.68 -1.03 117.98 116.27 1shn s PHE 124 Ca 0.38 1.55 0.07 0.00 -0.60 0.00 0.00 56.93 58.33 1shn s PHE 124 Cb 0.21 -3.49 -0.04 0.00 0.51 0.00 0.00 43.02 40.22 1shn s PHE 124 CO 0.33 -1.25 -0.14 0.95 0.70 0.00 0.00 175.22 175.81 1shn s THR 125 N -1.17 3.10 -0.08 0.64 -4.23 -0.24 -4.86 115.64 108.81 1shn s THR 125 Ca 0.48 -1.22 -0.00 0.00 -1.18 0.00 0.00 61.69 59.76 1shn s THR 125 Cb -0.36 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.07 1shn s THR 125 CO 0.47 0.23 -0.04 -0.31 -0.54 0.00 0.00 174.62 174.43 1shn s TYR 126 N -1.07 3.04 0.61 3.99 2.02 -1.26 -4.73 117.35 119.94 1shn s TYR 126 Ca 0.18 0.10 -0.08 0.00 -0.37 0.00 0.00 57.07 56.90 1shn s TYR 126 Cb -0.11 -1.75 -0.00 0.00 -0.40 0.00 0.00 41.96 39.70 1shn s TYR 126 CO 0.09 0.39 0.95 -1.54 -1.57 0.00 0.00 175.55 173.87 1shn s SER 127 N -0.83 5.72 0.51 2.29 1.04 -1.26 -4.37 113.70 116.80 1shn s SER 127 Ca 0.13 0.92 0.22 0.00 0.48 0.00 0.00 55.95 57.69 1shn s SER 127 Cb -0.11 -1.92 1.35 0.00 0.10 0.00 0.00 66.02 65.44 1shn s SER 127 CO 0.02 -1.04 2.10 -0.29 0.98 0.00 0.00 173.24 175.00 1shn h ILE 128 N -0.25 0.82 -0.33 -1.02 2.10 -1.35 -1.91 117.51 115.57 1shn h ILE 128 Ca -0.45 -0.37 -0.07 0.00 1.08 0.00 0.00 64.86 65.04 1shn h ILE 128 Cb 1.24 1.22 -0.01 0.00 -1.09 0.00 0.00 36.82 38.18 1shn h ILE 128 CO 0.62 0.10 -0.09 0.00 -1.08 0.00 0.00 178.15 177.70 1shn h ALA 129 N 1.90 0.45 -0.67 0.18 0.00 -1.85 -1.22 119.26 118.05 1shn h ALA 129 Ca -0.00 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 54.72 1shn h ALA 129 Cb 0.21 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 1shn h ALA 129 CO 0.01 0.29 0.26 1.25 0.00 0.00 0.00 179.25 181.06 1shn h HIS 130 N 0.41 0.45 -0.55 0.00 -0.00 -1.63 -0.76 115.15 113.07 1shn h HIS 130 Ca 0.08 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.38 1shn h HIS 130 Cb 0.59 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 1shn h HIS 130 CO 0.05 0.09 -0.05 -1.49 -0.00 0.00 0.00 177.93 176.53 1shn h TRP 131 N 0.43 1.08 -0.63 5.26 -0.00 -1.13 -0.80 115.95 120.16 1shn h TRP 131 Ca 0.35 -0.20 -0.01 0.00 -0.00 0.00 0.00 58.89 59.03 1shn h TRP 131 Cb 0.47 -0.28 -0.03 0.00 -0.00 0.00 0.00 29.16 29.33 1shn h TRP 131 CO -0.17 0.99 0.35 0.74 -0.00 0.00 0.00 178.44 180.35 1shn h PHE 132 N 0.89 0.86 -0.56 0.49 -1.00 -0.68 -2.23 116.94 114.71 1shn h PHE 132 Ca 0.15 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.90 1shn h PHE 132 Cb 0.59 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 39.85 1shn h PHE 132 CO 0.04 0.62 0.30 1.96 -1.61 0.00 0.00 178.31 179.62 1shn h GLN 133 N 0.86 0.78 -0.44 1.51 4.20 -0.32 -0.71 115.11 121.00 1shn h GLN 133 Ca 0.22 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.86 1shn h GLN 133 Cb 0.04 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1shn h GLN 133 CO -0.04 0.61 0.29 0.93 -0.67 0.00 0.00 178.83 179.95 1shn h GLU 134 N 0.75 0.52 -0.02 1.46 4.39 -0.97 0.40 114.58 121.11 1shn h GLU 134 Ca 0.20 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1shn h GLU 134 Cb 0.06 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1shn h GLU 134 CO -0.03 0.34 0.00 0.00 -1.16 0.00 0.00 179.01 178.16 1shn n ALA 135 N -2.48 2.57 -2.54 3.43 0.00 -0.86 -4.90 120.51 115.73 1shn n ALA 135 Ca 0.04 -0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 1shn n ALA 135 Cb 0.10 -1.18 0.01 0.00 0.00 0.00 0.00 19.45 18.38 1shn n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1shn n GLY 136 N 0.72 0.23 3.42 0.00 0.00 0.14 -5.06 105.19 104.64 1shn n GLY 136 Ca 0.09 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 1shn n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1shn s ARG 137 N -4.95 1.54 0.55 1.61 0.52 -0.32 -4.90 118.95 112.99 1shn s ARG 137 Ca 0.11 -1.64 -0.07 0.00 -0.52 0.00 0.00 55.73 53.61 1shn s ARG 137 Cb -0.05 -1.65 -0.03 0.00 0.52 0.00 0.00 34.95 33.75 1shn s ARG 137 CO 0.14 0.32 0.88 -1.12 0.02 0.00 0.00 175.30 175.54 1shn s SER 138 N -3.17 6.09 0.02 0.23 0.01 -0.85 -3.76 113.70 112.27 1shn s SER 138 Ca 0.25 1.02 -0.08 0.00 1.31 0.00 0.00 55.95 58.45 1shn s SER 138 Cb -0.05 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 63.99 1shn s SER 138 CO 0.12 -0.78 0.16 0.42 0.41 0.00 0.00 173.24 173.57 1shn s THR 139 N -2.93 0.10 0.17 1.44 -4.23 -1.26 -0.94 115.64 107.99 1shn s THR 139 Ca 0.51 -0.82 -0.24 0.00 -1.18 0.00 0.00 61.69 59.96 1shn s THR 139 Cb -0.11 -0.69 0.06 0.00 1.34 0.00 0.00 72.50 73.10 1shn s THR 139 CO 0.48 -0.45 0.90 -0.83 -0.54 0.00 0.00 174.62 174.18 1shn s GLY 140 N -1.76 -0.22 0.01 3.99 0.00 -0.92 -0.50 107.32 107.92 1shn s GLY 140 Ca -0.10 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.71 1shn s GLY 140 CO -0.01 0.00 -0.01 0.54 0.00 0.00 0.00 173.10 173.62 1shn s VAL 141 N -3.41 0.06 -0.03 1.40 0.11 -0.55 -2.42 120.40 115.55 1shn s VAL 141 Ca 0.11 -0.36 0.01 0.00 -2.93 0.00 0.00 61.98 58.82 1shn s VAL 141 Cb -0.02 -0.12 0.01 0.00 -1.53 0.00 0.00 36.38 34.72 1shn s VAL 141 CO 0.02 -0.19 -0.04 -0.69 -3.33 0.00 0.00 175.10 170.87 1shn s VAL 142 N -0.57 0.45 0.17 2.04 1.01 0.56 -0.72 120.40 123.33 1shn s VAL 142 Ca -0.06 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 1shn s VAL 142 Cb -0.04 -0.45 0.03 0.00 0.00 0.00 0.00 36.38 35.92 1shn s VAL 142 CO -0.00 0.18 0.48 0.28 0.00 0.00 0.00 175.10 176.03 1shn s THR 143 N 0.58 0.04 -2.28 3.92 -1.32 -0.30 -0.32 115.64 115.97 1shn s THR 143 Ca -0.07 -0.67 0.27 0.00 -1.21 0.00 0.00 61.69 60.01 1shn s THR 143 Cb -0.10 -1.40 0.44 0.00 -1.51 0.00 0.00 72.50 69.92 1shn s THR 143 CO -0.00 -0.18 1.66 -1.54 -2.21 0.00 0.00 174.62 172.34 1shn n SER 144 N -0.30 1.42 -5.01 8.08 3.41 -1.04 -3.87 113.62 116.31 1shn n SER 144 Ca -0.13 -1.33 -0.22 0.00 -0.26 0.00 0.00 58.87 56.94 1shn n SER 144 Cb 0.63 0.05 0.05 0.00 -0.26 0.00 0.00 64.21 64.68 1shn n SER 144 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1shn s THR 145 N -2.17 1.90 0.52 6.66 -4.23 -1.26 -1.51 115.64 115.55 1shn s THR 145 Ca 0.33 -1.13 -0.21 0.00 -1.18 0.00 0.00 61.69 59.50 1shn s THR 145 Cb 0.20 -2.03 -0.08 0.00 1.34 0.00 0.00 72.50 71.94 1shn s THR 145 CO 0.40 0.00 0.96 0.54 -0.54 0.00 0.00 174.62 175.97 1shn n ARG 146 N -2.17 1.10 0.00 3.99 1.74 -1.26 -1.15 116.66 118.91 1shn n ARG 146 Ca 0.12 0.41 0.12 0.00 -0.77 0.00 0.00 57.85 57.73 1shn n ARG 146 Cb 0.63 -2.09 0.60 0.00 -1.02 0.00 0.00 32.46 30.58 1shn n ARG 146 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1shn n VAL 147 N -1.14 0.23 1.03 1.55 0.24 -0.40 -2.04 118.33 117.80 1shn n VAL 147 Ca 0.11 0.06 0.12 0.00 -2.04 0.00 0.00 64.34 62.59 1shn n VAL 147 Cb 0.44 -0.64 0.23 0.00 -1.47 0.00 0.00 33.84 32.39 1shn n VAL 147 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1shn n THR 148 N -1.34 0.09 -1.24 3.34 -2.24 -1.26 -4.29 114.28 107.35 1shn n THR 148 Ca 0.10 -0.47 -0.32 0.00 -2.27 0.00 0.00 64.05 61.09 1shn n THR 148 Cb 0.22 1.12 0.10 0.00 -2.10 0.00 0.00 70.33 69.68 1shn n THR 148 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1shn s HIS 149 N -1.91 2.22 0.24 4.78 5.04 -0.87 -4.70 115.29 120.08 1shn s HIS 149 Ca 0.32 1.63 -0.05 0.00 -1.54 0.00 0.00 55.06 55.42 1shn s HIS 149 Cb 0.20 -3.24 0.40 0.00 0.04 0.00 0.00 32.58 29.99 1shn s HIS 149 CO 0.31 -2.22 1.75 0.00 -2.34 0.00 0.00 174.74 172.24 1shn h ALA 150 N -0.94 1.01 0.93 1.58 0.00 -1.89 0.09 119.26 120.04 1shn h ALA 150 Ca -0.45 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1shn h ALA 150 Cb 1.26 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.10 1shn h ALA 150 CO 0.49 -0.16 -0.45 1.15 0.00 0.00 0.00 179.25 180.28 1shn h THR 151 N 0.49 0.00 -0.14 0.00 2.02 -1.92 0.61 112.91 113.98 1shn h THR 151 Ca 0.38 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.49 1shn h THR 151 Cb 0.53 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1shn h THR 151 CO -0.35 0.00 -0.11 1.55 0.37 0.00 0.00 175.52 176.98 1shn h PRO 152 N -1.29 0.21 -0.36 6.66 0.13 -1.79 -1.88 132.00 133.69 1shn h PRO 152 Ca -0.13 -0.04 0.04 0.00 -0.87 0.00 0.00 66.00 65.00 1shn h PRO 152 Cb 0.96 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 1shn h PRO 152 CO 0.21 0.33 0.24 0.00 -0.23 0.00 0.00 178.00 178.55 1shn h ALA 153 N 1.69 1.93 -0.43 -0.56 0.00 -0.61 -1.14 119.26 120.14 1shn h ALA 153 Ca 0.04 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1shn h ALA 153 Cb 0.33 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1shn h ALA 153 CO 0.02 0.01 0.47 0.78 0.00 0.00 0.00 179.25 180.54 1shn h GLY 154 N 0.32 0.00 2.00 0.00 0.00 -0.01 0.32 103.07 105.70 1shn h GLY 154 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1shn h GLY 154 CO -0.03 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.60 1shn h THR 155 N 0.00 0.00 0.00 4.70 1.35 -1.34 -3.41 112.91 114.21 1shn h THR 155 Ca 0.20 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1shn h THR 155 Cb 1.15 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 1shn h THR 155 CO -0.00 0.00 -0.16 0.00 -0.25 0.00 0.00 175.52 175.11 1shn n TYR 156 N -2.91 0.00 -3.13 4.73 0.18 -0.41 -4.47 117.16 111.16 1shn n TYR 156 Ca 0.04 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.60 1shn n TYR 156 Cb 0.51 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.47 1shn n TYR 156 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1shn s ALA 157 N -0.54 3.82 -0.31 -3.48 0.00 0.99 -4.41 121.76 117.84 1shn s ALA 157 Ca 0.00 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.84 1shn s ALA 157 Cb 0.00 -2.06 0.12 0.00 0.00 0.00 0.00 23.12 21.18 1shn s ALA 157 CO 0.00 -0.27 0.19 -1.01 0.00 0.00 0.00 175.76 174.67 1shn s HIS 158 N -2.46 0.25 0.04 0.00 3.76 -1.25 -4.07 115.29 111.55 1shn s HIS 158 Ca 0.46 -0.93 0.02 0.00 -0.15 0.00 0.00 55.06 54.46 1shn s HIS 158 Cb -0.10 -0.81 -0.02 0.00 1.11 0.00 0.00 32.58 32.76 1shn s HIS 158 CO 0.36 -0.85 -0.07 0.14 -0.85 0.00 0.00 174.74 173.47 1shn s VAL 159 N 1.88 0.47 -1.04 -0.90 -7.23 -0.34 -4.90 120.40 108.34 1shn s VAL 159 Ca 0.11 -1.03 0.29 0.00 -1.81 0.00 0.00 61.98 59.54 1shn s VAL 159 Cb -0.17 -0.55 0.25 0.00 0.56 0.00 0.00 36.38 36.47 1shn s VAL 159 CO -0.26 -0.39 1.91 0.00 -0.31 0.00 0.00 175.10 176.05 1shn n ALA 160 N 1.52 2.42 -3.67 1.32 0.00 -1.26 -2.20 120.51 118.64 1shn n ALA 160 Ca -0.23 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.00 1shn n ALA 160 Cb 0.55 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 1shn n ALA 160 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1shn s ASP 161 N -2.97 -0.30 0.64 0.00 -1.08 -1.26 -0.25 116.67 111.45 1shn s ASP 161 Ca 0.15 0.96 0.42 0.00 -0.52 0.00 0.00 52.55 53.56 1shn s ASP 161 Cb 0.19 1.18 2.22 0.00 -1.46 0.00 0.00 42.92 45.05 1shn s ASP 161 CO 0.54 -0.22 2.29 0.08 0.52 0.00 0.00 175.17 178.37 1shn h ARG 162 N 7.90 0.00 0.00 4.34 0.11 -1.36 -1.27 114.38 124.10 1shn h ARG 162 Ca -0.21 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.87 1shn h ARG 162 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 1shn h ARG 162 CO 0.17 0.00 0.00 -0.44 0.10 0.00 0.00 179.97 179.80 1shn h ASP 163 N 0.00 0.00 0.00 0.08 3.32 -1.96 -3.36 116.42 114.50 1shn h ASP 163 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 1shn h ASP 163 Cb 0.09 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.66 1shn h ASP 163 CO 0.00 0.00 3.15 0.79 -1.72 0.00 0.00 179.24 181.46 1shn n TRP 164 N -2.64 1.94 0.01 4.55 8.01 -0.48 -4.56 117.44 124.28 1shn n TRP 164 Ca 0.00 -2.69 -0.12 0.00 -1.31 0.00 0.00 57.50 53.38 1shn n TRP 164 Cb 0.21 -2.23 -0.00 0.00 -2.01 0.00 0.00 31.31 27.27 1shn n TRP 164 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.69 177.61 1shn h GLU 165 N 5.02 0.59 -4.95 -0.99 5.08 -1.86 -0.80 114.58 116.67 1shn h GLU 165 Ca 0.73 -0.45 -0.49 0.00 -1.00 0.00 0.00 59.36 58.14 1shn h GLU 165 Cb 0.39 0.09 -0.13 0.00 0.50 0.00 0.00 28.75 29.59 1shn h GLU 165 CO 1.54 1.07 -0.52 0.54 -1.00 0.00 0.00 179.01 180.65 1shn s ASN 166 N -7.01 2.11 0.38 1.42 2.20 -1.26 -0.73 114.94 112.05 1shn s ASN 166 Ca -0.08 -1.66 0.19 0.00 -0.94 0.00 0.00 52.86 50.37 1shn s ASN 166 Cb 0.10 0.49 0.72 0.00 -2.00 0.00 0.00 41.25 40.55 1shn s ASN 166 CO 0.86 -0.96 1.75 -2.24 -2.94 0.00 0.00 177.10 173.58 1shn h ASP 167 N 2.01 0.00 0.46 3.54 2.03 -1.88 -1.55 116.42 121.04 1shn h ASP 167 Ca -0.32 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.95 1shn h ASP 167 Cb 1.25 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.75 1shn h ASP 167 CO 0.50 0.36 -0.14 0.77 -1.03 0.00 0.00 179.24 179.69 1shn h SER 168 N 0.00 0.00 0.34 4.15 4.64 -1.95 -1.12 113.55 119.62 1shn h SER 168 Ca -0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.03 1shn h SER 168 Cb 0.86 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.97 1shn h SER 168 CO 0.05 0.14 -1.22 0.44 -0.87 0.00 0.00 176.83 175.37 1shn h ASP 169 N 0.00 0.67 -0.01 4.97 3.32 -1.58 -2.28 116.42 121.51 1shn h ASP 169 Ca -0.00 -0.64 0.01 0.00 0.02 0.00 0.00 57.03 56.41 1shn h ASP 169 Cb 0.41 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1shn h ASP 169 CO 0.02 1.47 -0.02 0.58 -1.72 0.00 0.00 179.24 179.57 1shn h VAL 170 N 0.19 0.94 -0.87 -1.35 2.07 -1.30 -2.50 116.25 113.43 1shn h VAL 170 Ca -0.16 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.46 1shn h VAL 170 Cb 1.90 0.94 -0.08 0.00 -1.52 0.00 0.00 31.29 32.54 1shn h VAL 170 CO 0.22 0.00 0.51 0.58 0.02 0.00 0.00 177.57 178.90 1shn h VAL 171 N -0.03 0.90 -0.16 2.57 2.07 -1.28 -1.58 116.25 118.73 1shn h VAL 171 Ca 0.01 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1shn h VAL 171 Cb 0.05 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 1shn h VAL 171 CO -0.03 0.15 0.11 -0.74 0.02 0.00 0.00 177.57 177.09 1shn h HIS 172 N 0.84 0.07 -0.45 1.57 6.17 -0.97 0.60 115.15 122.99 1shn h HIS 172 Ca 0.43 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.51 1shn h HIS 172 Cb 0.41 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.32 1shn h HIS 172 CO -0.05 0.04 0.00 -0.25 0.71 0.00 0.00 177.93 178.39 1shn n ASP 173 N -4.50 2.79 -2.06 3.26 8.00 -0.62 -4.94 116.55 118.49 1shn n ASP 173 Ca 0.00 -1.95 -0.15 0.00 0.71 0.00 0.00 54.79 53.40 1shn n ASP 173 Cb 0.19 -0.30 0.02 0.00 -0.02 0.00 0.00 41.12 41.01 1shn n ASP 173 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1shn n ARG 174 N 1.03 -3.14 -3.84 -1.24 1.74 0.20 -5.02 116.66 106.39 1shn n ARG 174 Ca 0.18 0.62 -0.21 0.00 -0.77 0.00 0.00 57.85 57.66 1shn n ARG 174 Cb 0.46 -4.85 -0.03 0.00 -1.02 0.00 0.00 32.46 27.01 1shn n ARG 174 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1shn s GLU 175 N -5.27 2.82 -0.47 5.56 0.41 -1.06 -5.04 118.70 115.66 1shn s GLU 175 Ca 0.19 -1.20 -0.23 0.00 -0.41 0.00 0.00 54.97 53.32 1shn s GLU 175 Cb -0.08 -2.54 0.03 0.00 -1.78 0.00 0.00 34.13 29.76 1shn s GLU 175 CO 0.23 0.16 0.79 0.34 -0.49 0.00 0.00 175.26 176.29 1shn s ASP 176 N -3.98 6.38 0.57 -0.19 -1.08 -1.26 -4.19 116.67 112.92 1shn s ASP 176 Ca 0.40 -0.21 0.26 0.00 -0.52 0.00 0.00 52.55 52.48 1shn s ASP 176 Cb -0.07 -2.38 1.62 0.00 -1.46 0.00 0.00 42.92 40.63 1shn s ASP 176 CO 0.27 -0.95 2.17 1.55 0.52 0.00 0.00 175.17 178.73 1shn h PRO 177 N 9.02 0.00 -0.48 4.34 0.13 -1.90 -0.54 132.00 142.56 1shn h PRO 177 Ca -0.25 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 1shn h PRO 177 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1shn h PRO 177 CO 0.97 0.00 0.12 0.93 -0.23 0.00 0.00 178.00 179.79 1shn h GLU 178 N 0.00 0.73 0.00 0.86 4.39 -1.99 -3.22 114.58 115.34 1shn h GLU 178 Ca 0.04 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1shn h GLU 178 Cb 0.21 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1shn h GLU 178 CO -0.00 0.66 -0.83 0.44 -1.16 0.00 0.00 179.01 178.12 1shn n ILE 179 N -4.30 0.00 -3.34 3.13 -5.35 -0.88 -4.84 119.36 103.78 1shn n ILE 179 Ca 0.03 -0.26 -0.46 0.00 -0.27 0.00 0.00 62.75 61.80 1shn n ILE 179 Cb 0.21 0.70 -0.04 0.00 -1.74 0.00 0.00 39.64 38.77 1shn n ILE 179 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1shn s ASP 181 N 2.86 6.78 0.90 0.00 1.01 -1.26 -4.61 116.67 122.34 1shn s ASP 181 Ca 0.10 2.22 -0.13 0.00 0.71 0.00 0.00 52.55 55.45 1shn s ASP 181 Cb -0.21 -2.56 0.13 0.00 1.01 0.00 0.00 42.92 41.29 1shn s ASP 181 CO -0.02 -0.77 1.15 1.51 0.21 0.00 0.00 175.17 177.25 1shn s ASP 182 N 2.08 3.65 0.17 0.27 1.47 -1.26 -4.85 116.67 118.20 1shn s ASP 182 Ca 0.67 0.89 -0.10 0.00 1.18 0.00 0.00 52.55 55.19 1shn s ASP 182 Cb -0.34 -1.41 0.04 0.00 -0.34 0.00 0.00 42.92 40.87 1shn s ASP 182 CO 0.28 -2.46 1.61 0.40 0.68 0.00 0.00 175.17 175.68 1shn h ILE 183 N -1.43 1.27 -0.82 2.11 2.04 -1.00 -1.13 117.51 118.54 1shn h ILE 183 Ca -0.49 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.14 1shn h ILE 183 Cb 1.33 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 1shn h ILE 183 CO 0.61 0.44 0.48 0.00 0.00 0.00 0.00 178.15 179.68 1shn h ALA 184 N 0.95 1.04 -0.43 1.87 0.00 -1.19 0.59 119.26 122.10 1shn h ALA 184 Ca 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1shn h ALA 184 Cb 0.63 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1shn h ALA 184 CO 0.04 0.52 0.21 0.93 0.00 0.00 0.00 179.25 180.95 1shn h GLU 185 N 1.13 0.62 -0.54 0.00 5.08 -1.62 -2.55 114.58 116.69 1shn h GLU 185 Ca 0.29 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1shn h GLU 185 Cb -0.02 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1shn h GLU 185 CO -0.05 0.53 0.28 1.96 -1.00 0.00 0.00 179.01 180.73 1shn h GLN 186 N 0.56 0.75 -0.73 2.33 4.20 -0.50 0.23 115.11 121.95 1shn h GLN 186 Ca 0.15 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1shn h GLN 186 Cb 0.11 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 1shn h GLN 186 CO -0.02 0.57 0.45 1.25 -0.67 0.00 0.00 178.83 180.40 1shn h LEU 187 N 0.76 0.87 0.02 1.46 5.85 -0.50 -1.91 115.31 121.86 1shn h LEU 187 Ca 0.19 -0.06 -0.31 0.00 0.84 0.00 0.00 57.88 58.54 1shn h LEU 187 Cb 0.05 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1shn h LEU 187 CO -0.03 0.67 -1.80 0.52 -0.34 0.00 0.00 178.44 177.46 1shn n VAL 188 N -4.53 1.63 -0.03 1.05 0.31 -0.91 -2.11 118.33 113.74 1shn n VAL 188 Ca 0.07 -0.77 0.02 0.00 -0.01 0.00 0.00 64.34 63.64 1shn n VAL 188 Cb 0.05 -1.14 -0.14 0.00 -0.91 0.00 0.00 33.84 31.70 1shn n VAL 188 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1shn n PHE 189 N -3.11 0.21 -4.43 3.52 3.72 0.75 -4.54 117.46 113.58 1shn n PHE 189 Ca -0.21 0.07 -0.24 0.00 -0.05 0.00 0.00 57.45 57.02 1shn n PHE 189 Cb 1.06 -0.79 -0.09 0.00 -0.94 0.00 0.00 39.48 38.71 1shn n PHE 189 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1shn s ARG 190 N -3.06 1.87 0.25 -1.08 0.52 -0.72 -4.89 118.95 111.85 1shn s ARG 190 Ca -0.07 -1.72 -0.15 0.00 -0.52 0.00 0.00 55.73 53.26 1shn s ARG 190 Cb 0.10 -1.86 -0.08 0.00 0.52 0.00 0.00 34.95 33.63 1shn s ARG 190 CO 0.86 0.29 0.68 -1.83 0.02 0.00 0.00 175.30 175.32 1shn s GLU 191 N -3.58 4.05 0.00 3.54 4.04 -1.26 -0.30 118.70 125.18 1shn s GLU 191 Ca 0.31 0.65 0.28 0.00 0.04 0.00 0.00 54.97 56.25 1shn s GLU 191 Cb -0.04 -2.67 1.01 0.00 0.02 0.00 0.00 34.13 32.46 1shn s GLU 191 CO 0.17 0.30 1.76 -0.35 -1.84 0.00 0.00 175.26 175.29 1shn n PRO 192 N 0.16 0.12 -0.35 -4.83 -0.04 -1.26 -4.89 135.00 123.90 1shn n PRO 192 Ca 0.00 -0.04 0.05 0.00 -0.04 0.00 0.00 63.50 63.48 1shn n PRO 192 Cb 0.52 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.69 1shn n PRO 192 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1shn h GLY 193 N 4.99 1.55 2.00 0.55 0.00 -1.61 -2.13 103.07 108.43 1shn h GLY 193 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1shn h GLY 193 CO 0.00 0.19 0.00 0.07 0.00 0.00 0.00 176.54 176.80 1shn h LYS 194 N 1.00 0.00 -0.01 4.80 2.10 -0.11 -1.39 116.57 122.97 1shn h LYS 194 Ca 0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 1shn h LYS 194 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1shn h LYS 194 CO -0.24 0.00 -0.59 0.09 -2.00 0.00 0.00 179.45 176.71 1shn n ASN 195 N -2.97 1.24 -4.69 7.07 5.03 -0.81 -4.97 115.26 115.17 1shn n ASN 195 Ca 0.00 -1.01 -0.44 0.00 0.87 0.00 0.00 54.58 54.00 1shn n ASN 195 Cb 0.26 0.52 -0.03 0.00 -1.02 0.00 0.00 39.78 39.52 1shn n ASN 195 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1shn n PHE 196 N -0.85 2.40 0.13 3.10 3.01 -0.53 -4.74 117.46 119.99 1shn n PHE 196 Ca 0.08 0.32 0.01 0.00 1.01 0.00 0.00 57.45 58.87 1shn n PHE 196 Cb 0.38 -2.53 0.04 0.00 -0.01 0.00 0.00 39.48 37.36 1shn n PHE 196 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1shn h LYS 197 N 4.94 0.00 -3.89 -1.08 1.79 -1.11 -3.46 116.57 113.77 1shn h LYS 197 Ca -0.45 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 57.69 1shn h LYS 197 Cb 1.25 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 31.59 1shn h LYS 197 CO 0.81 0.57 -0.75 0.08 -1.08 0.00 0.00 179.45 179.09 1shn s VAL 198 N -3.00 0.22 -0.12 0.50 1.01 -1.22 -1.09 120.40 116.71 1shn s VAL 198 Ca 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 1shn s VAL 198 Cb 0.08 -0.26 0.05 0.00 0.00 0.00 0.00 36.38 36.25 1shn s VAL 198 CO 0.75 0.12 0.07 -0.63 0.00 0.00 0.00 175.10 175.41 1shn s ILE 199 N 0.55 -0.04 -0.00 2.22 1.01 -0.47 -1.49 121.20 122.98 1shn s ILE 199 Ca -0.05 0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.65 1shn s ILE 199 Cb -0.08 -0.44 -0.00 0.00 0.01 0.00 0.00 42.46 41.94 1shn s ILE 199 CO -0.01 -0.08 -0.03 -0.04 0.00 0.00 0.00 174.94 174.77 1shn s MET 200 N 2.13 0.29 0.00 2.79 -1.94 0.11 -0.93 119.30 121.74 1shn s MET 200 Ca 0.03 -0.12 0.00 0.00 -1.71 0.00 0.00 55.69 53.89 1shn s MET 200 Cb -0.14 -0.28 0.00 0.00 2.01 0.00 0.00 34.83 36.41 1shn s MET 200 CO -0.07 0.07 0.00 0.41 -0.01 0.00 0.00 175.02 175.43 1shn n GLY 201 N 3.02 -0.49 0.00 -0.03 0.00 -0.62 -1.15 105.19 105.92 1shn n GLY 201 Ca -0.13 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1shn n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1shn n GLY 202 N 0.00 6.22 0.91 -0.02 0.00 -0.30 -1.10 105.19 110.89 1shn n GLY 202 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1shn n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1shn n GLY 203 N 5.00 0.98 0.40 -0.02 0.00 0.18 -1.27 105.19 110.45 1shn n GLY 203 Ca 0.00 -0.45 0.20 0.00 0.00 0.00 0.00 46.02 45.76 1shn n GLY 203 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1shn h ARG 204 N 0.00 0.45 -0.86 1.61 3.08 -0.98 -2.25 114.38 115.43 1shn h ARG 204 Ca 0.00 -0.03 0.25 0.00 0.07 0.00 0.00 59.98 60.27 1shn h ARG 204 Cb 0.21 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1shn h ARG 204 CO 0.00 0.30 0.66 0.07 -1.07 0.00 0.00 179.97 179.93 1shn h ARG 205 N 0.46 0.00 -0.01 0.04 0.11 -1.60 0.52 114.38 113.90 1shn h ARG 205 Ca 0.55 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.63 1shn h ARG 205 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1shn h ARG 205 CO -0.27 0.00 -0.08 0.41 0.10 0.00 0.00 179.97 180.13 1shn n GLY 206 N -1.68 -0.71 0.46 0.08 0.00 -0.85 -1.66 105.19 100.83 1shn n GLY 206 Ca 0.18 -0.31 0.06 0.00 0.00 0.00 0.00 46.02 45.95 1shn n GLY 206 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1shn n PHE 207 N -0.68 0.00 -3.86 1.61 3.01 0.17 -4.77 117.46 112.95 1shn n PHE 207 Ca 0.17 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.53 1shn n PHE 207 Cb 0.27 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.68 1shn n PHE 207 CO 0.00 0.00 0.00 -0.59 1.01 0.00 0.00 176.76 177.18 1shn s PHE 208 N -1.21 0.18 0.81 1.38 -0.71 -1.24 -1.62 117.98 115.56 1shn s PHE 208 Ca 0.14 -0.55 -0.12 0.00 -1.04 0.00 0.00 56.93 55.36 1shn s PHE 208 Cb 0.11 0.04 0.08 0.00 -1.21 0.00 0.00 43.02 42.04 1shn s PHE 208 CO 0.20 -0.69 1.17 -1.25 -1.34 0.00 0.00 175.22 173.31 1shn s PRO 209 N -3.90 2.00 0.52 1.99 0.05 -1.24 -2.33 135.00 132.09 1shn s PRO 209 Ca 0.11 0.17 0.19 0.00 0.05 0.00 0.00 61.00 61.52 1shn s PRO 209 Cb 0.03 -1.95 1.30 0.00 0.05 0.00 0.00 34.50 33.93 1shn s PRO 209 CO -0.05 -1.58 2.08 0.93 0.05 0.00 0.00 177.00 178.42 1shn h GLU 210 N -1.05 0.04 0.00 4.56 5.08 -1.11 -1.74 114.58 120.36 1shn h GLU 210 Ca -0.46 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1shn h GLU 210 Cb 1.32 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1shn h GLU 210 CO 0.65 0.02 0.00 0.93 -1.00 0.00 0.00 179.01 179.62 1shn h GLU 211 N 0.04 0.00 -6.20 2.33 3.07 -1.86 -3.37 114.58 108.59 1shn h GLU 211 Ca 0.12 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.46 1shn h GLU 211 Cb 0.43 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.28 1shn h GLU 211 CO -0.01 0.00 -0.55 0.00 -1.40 0.00 0.00 179.01 177.05 1shn s ALA 212 N -3.25 3.49 0.08 3.43 0.00 -0.71 -5.00 121.76 119.79 1shn s ALA 212 Ca 0.07 -1.46 0.09 0.00 0.00 0.00 0.00 51.96 50.66 1shn s ALA 212 Cb 0.10 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 1shn s ALA 212 CO 0.51 0.27 -0.22 -0.51 0.00 0.00 0.00 175.76 175.81 1shn s LEU 213 N -3.77 2.44 0.27 0.00 1.43 -1.26 -1.92 118.68 115.87 1shn s LEU 213 Ca 0.32 -0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 52.56 1shn s LEU 213 Cb -0.08 -1.39 -0.10 0.00 0.03 0.00 0.00 46.19 44.65 1shn s LEU 213 CO 0.24 0.22 1.36 -0.62 0.23 0.00 0.00 176.35 177.78 1shn s ASP 214 N -1.66 6.75 0.51 2.29 2.15 -0.25 -4.82 116.67 121.64 1shn s ASP 214 Ca 0.14 2.62 -0.22 0.00 0.43 0.00 0.00 52.55 55.53 1shn s ASP 214 Cb -0.10 -2.63 -0.06 0.00 -0.30 0.00 0.00 42.92 39.83 1shn s ASP 214 CO 0.05 -0.60 1.26 -0.63 -0.17 0.00 0.00 175.17 175.08 1shn s ILE 215 N -0.44 2.59 0.00 4.11 1.01 -1.26 -0.07 121.20 127.14 1shn s ILE 215 Ca 0.55 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.63 1shn s ILE 215 Cb -0.40 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 38.85 1shn s ILE 215 CO 0.46 -0.01 0.00 -0.62 0.00 0.00 0.00 174.94 174.77 1shn n GLU 216 N -0.81 0.00 -0.01 2.79 1.02 -1.26 -4.32 120.64 118.04 1shn n GLU 216 Ca 0.09 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.32 1shn n GLU 216 Cb 0.47 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.73 1shn n GLU 216 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1shn n ASP 217 N 3.79 0.38 -1.20 1.62 8.00 -1.22 -4.99 116.55 122.94 1shn n ASP 217 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1shn n ASP 217 Cb 0.00 1.87 -0.03 0.00 -0.02 0.00 0.00 41.12 42.94 1shn n ASP 217 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1shn n GLY 218 N 1.38 0.72 3.73 0.44 0.00 0.91 -4.89 105.19 107.47 1shn n GLY 218 Ca -0.05 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 1shn n GLY 218 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1shn s ILE 219 N -2.55 4.63 0.29 -0.61 1.01 -1.26 -4.46 121.20 118.26 1shn s ILE 219 Ca 0.00 1.91 -0.29 0.00 0.00 0.00 0.00 60.65 62.27 1shn s ILE 219 Cb 0.00 -4.25 -0.13 0.00 0.01 0.00 0.00 42.46 38.09 1shn s ILE 219 CO 0.00 0.31 1.33 -2.65 0.00 0.00 0.00 174.94 173.93 1shn n PRO 220 N 2.96 2.06 -0.70 2.79 -0.02 -1.26 -1.08 135.00 139.75 1shn n PRO 220 Ca 0.01 0.73 -0.29 0.00 -2.02 0.00 0.00 63.50 61.93 1shn n PRO 220 Cb 0.50 -2.33 0.25 0.00 -0.02 0.00 0.00 33.50 31.89 1shn n PRO 220 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1shn s GLY 221 N -0.05 1.51 -0.00 -1.23 0.00 -0.81 -4.86 107.32 101.89 1shn s GLY 221 Ca 0.61 -0.52 0.18 0.00 0.00 0.00 0.00 44.72 44.99 1shn s GLY 221 CO 0.56 0.30 0.74 1.18 0.00 0.00 0.00 173.10 175.89 1shn n GLU 222 N -4.99 0.91 -2.28 2.90 1.02 -0.66 -2.90 120.64 114.64 1shn n GLU 222 Ca 0.07 -0.02 -0.39 0.00 -0.02 0.00 0.00 57.16 56.81 1shn n GLU 222 Cb 0.57 -1.37 -0.02 0.00 -0.02 0.00 0.00 31.44 30.60 1shn n GLU 222 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1shn s ARG 223 N -2.79 4.15 0.00 3.49 0.52 -0.98 -4.33 118.95 119.01 1shn s ARG 223 Ca 0.06 1.90 0.03 0.00 -0.52 0.00 0.00 55.73 57.19 1shn s ARG 223 Cb 0.14 -2.79 0.08 0.00 0.52 0.00 0.00 34.95 32.90 1shn s ARG 223 CO 0.76 -0.25 0.99 0.39 0.02 0.00 0.00 175.30 177.21 1shn n GLU 224 N 0.29 2.39 -0.30 3.54 1.02 -1.26 -1.44 120.64 124.88 1shn n GLU 224 Ca 0.03 -1.50 0.08 0.00 -0.02 0.00 0.00 57.16 55.76 1shn n GLU 224 Cb 0.46 -1.07 0.20 0.00 -0.02 0.00 0.00 31.44 31.01 1shn n GLU 224 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1shn n ASP 225 N -0.15 3.29 0.00 1.62 5.68 -1.26 -4.99 116.55 120.74 1shn n ASP 225 Ca 0.03 -2.87 0.00 0.00 -0.50 0.00 0.00 54.79 51.45 1shn n ASP 225 Cb 0.26 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 1shn n ASP 225 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1shn n GLY 226 N -0.64 0.05 3.76 6.12 0.00 -1.26 -4.97 105.19 108.25 1shn n GLY 226 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1shn n GLY 226 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shn s LYS 227 N -1.59 4.77 -0.71 1.61 1.02 -1.26 -4.86 119.74 118.72 1shn s LYS 227 Ca 0.00 1.39 -0.04 0.00 0.02 0.00 0.00 55.97 57.34 1shn s LYS 227 Cb 0.00 -3.27 0.18 0.00 -0.52 0.00 0.00 37.83 34.22 1shn s LYS 227 CO 0.00 0.53 0.55 -1.01 -0.92 0.00 0.00 175.35 174.51 1shn s HIS 228 N -1.18 3.55 0.19 3.18 3.76 -1.26 -3.64 115.29 119.89 1shn s HIS 228 Ca 0.39 -2.74 0.20 0.00 -0.15 0.00 0.00 55.06 52.77 1shn s HIS 228 Cb -0.25 -3.26 0.78 0.00 1.11 0.00 0.00 32.58 30.95 1shn s HIS 228 CO 0.30 -0.83 1.78 -0.07 -0.85 0.00 0.00 174.74 175.07 1shn h LEU 229 N 6.82 0.00 -0.24 0.89 3.38 -1.69 -2.15 115.31 122.33 1shn h LEU 229 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1shn h LEU 229 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1shn h LEU 229 CO 0.75 0.33 0.04 0.40 0.09 0.00 0.00 178.44 180.05 1shn h ILE 230 N 0.00 1.23 -0.65 1.22 1.08 -1.93 0.26 117.51 118.71 1shn h ILE 230 Ca -0.00 -0.75 -0.05 0.00 -0.39 0.00 0.00 64.86 63.66 1shn h ILE 230 Cb 0.82 1.27 -0.03 0.00 -3.07 0.00 0.00 36.82 35.81 1shn h ILE 230 CO 0.04 0.24 0.21 0.71 -0.69 0.00 0.00 178.15 178.66 1shn h THR 231 N 0.20 1.24 -0.50 -0.27 1.35 -1.89 -0.28 112.91 112.75 1shn h THR 231 Ca 0.07 -0.81 0.03 0.00 -0.55 0.00 0.00 66.41 65.16 1shn h THR 231 Cb 0.32 0.51 -0.04 0.00 -1.73 0.00 0.00 68.15 67.21 1shn h THR 231 CO 0.00 0.32 0.28 0.44 -0.25 0.00 0.00 175.52 176.31 1shn h ASP 232 N 0.95 0.42 -0.11 5.36 3.32 -1.06 0.39 116.42 125.70 1shn h ASP 232 Ca 0.21 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.30 1shn h ASP 232 Cb 0.26 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1shn h ASP 232 CO -0.01 0.29 -0.03 -0.25 -1.72 0.00 0.00 179.24 177.52 1shn h TRP 233 N 0.54 -0.07 0.15 4.55 7.01 -0.55 0.02 115.95 127.61 1shn h TRP 233 Ca 0.21 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.22 1shn h TRP 233 Cb 0.08 0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 1shn h TRP 233 CO -0.08 -0.05 -0.07 -0.07 -2.79 0.00 0.00 178.44 175.37 1shn h LEU 234 N -0.01 -0.17 -0.75 0.65 3.38 -0.56 -2.46 115.31 115.40 1shn h LEU 234 Ca 0.05 -0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.01 1shn h LEU 234 Cb 0.09 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 1shn h LEU 234 CO -0.11 0.05 0.32 0.44 0.09 0.00 0.00 178.44 179.23 1shn h ASP 235 N -0.38 0.34 -0.18 -0.43 3.32 -0.05 -1.71 116.42 117.33 1shn h ASP 235 Ca -0.02 0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.14 1shn h ASP 235 Cb 0.30 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1shn h ASP 235 CO 0.03 0.15 0.06 -0.78 -1.72 0.00 0.00 179.24 176.98 1shn h ASP 236 N 0.49 0.07 -0.46 6.45 3.58 -0.83 -0.05 116.42 125.66 1shn h ASP 236 Ca 0.40 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.87 1shn h ASP 236 Cb 0.57 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 1shn h ASP 236 CO -0.37 0.07 0.27 0.11 -2.88 0.00 0.00 179.24 176.44 1shn h LYS 237 N 0.15 0.64 -0.41 0.28 1.79 -0.91 -2.13 116.57 115.98 1shn h LYS 237 Ca 0.08 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.53 1shn h LYS 237 Cb 0.05 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.52 1shn h LYS 237 CO -0.08 0.48 0.17 0.00 -1.08 0.00 0.00 179.45 178.94 1shn h ALA 238 N 1.12 0.49 0.00 3.86 0.00 -0.98 -1.03 119.26 122.72 1shn h ALA 238 Ca 0.17 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1shn h ALA 238 Cb 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1shn h ALA 238 CO -0.03 -0.21 -0.09 0.66 0.00 0.00 0.00 179.25 179.58 1shn h SER 239 N 0.35 0.00 0.19 0.00 4.64 -0.64 -0.71 113.55 117.37 1shn h SER 239 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1shn h SER 239 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1shn h SER 239 CO -0.16 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 175.89 1shn n GLN 240 N -3.79 0.71 -0.78 4.77 6.02 -0.46 -4.87 117.38 118.98 1shn n GLN 240 Ca -0.02 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1shn n GLN 240 Cb 0.19 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.95 1shn n GLN 240 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1shn n GLY 241 N 0.88 0.66 3.97 1.08 0.00 -0.27 -5.05 105.19 106.45 1shn n GLY 241 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1shn n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shn s ALA 242 N -2.27 3.94 -0.13 4.61 0.00 -0.78 -5.00 121.76 122.13 1shn s ALA 242 Ca 0.00 -1.20 -0.13 0.00 0.00 0.00 0.00 51.96 50.62 1shn s ALA 242 Cb 0.00 -1.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 1shn s ALA 242 CO 0.00 0.04 0.31 0.95 0.00 0.00 0.00 175.76 177.05 1shn s THR 243 N -2.17 5.27 0.02 0.00 -4.23 -1.26 -3.96 115.64 109.31 1shn s THR 243 Ca 0.40 0.59 0.03 0.00 -1.18 0.00 0.00 61.69 61.52 1shn s THR 243 Cb -0.09 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.10 1shn s THR 243 CO 0.32 0.44 -0.08 0.00 -0.54 0.00 0.00 174.62 174.76 1shn s ALA 244 N 0.05 0.66 -0.03 3.99 0.00 -1.26 -1.36 121.76 123.81 1shn s ALA 244 Ca 0.18 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1shn s ALA 244 Cb -0.14 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1shn s ALA 244 CO 0.06 0.10 -0.07 0.45 0.00 0.00 0.00 175.76 176.30 1shn s SER 245 N -0.78 1.03 -0.20 0.00 0.15 -0.61 -4.99 113.70 108.30 1shn s SER 245 Ca -0.02 -0.15 -0.04 0.00 0.70 0.00 0.00 55.95 56.44 1shn s SER 245 Cb -0.06 -0.35 -0.02 0.00 -1.71 0.00 0.00 66.02 63.89 1shn s SER 245 CO 0.00 0.02 -0.03 -0.47 1.20 0.00 0.00 173.24 173.96 1shn s TYR 246 N 0.42 2.98 0.15 3.44 5.04 -1.26 -1.46 117.35 126.66 1shn s TYR 246 Ca -0.06 -0.67 0.06 0.00 -2.44 0.00 0.00 57.07 53.96 1shn s TYR 246 Cb -0.10 -2.07 -0.04 0.00 0.35 0.00 0.00 41.96 40.10 1shn s TYR 246 CO 0.00 -0.36 -0.13 0.14 -1.34 0.00 0.00 175.55 173.86 1shn s VAL 247 N 1.13 1.36 -0.00 3.14 -7.23 -0.31 -4.99 120.40 113.49 1shn s VAL 247 Ca 0.02 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.26 1shn s VAL 247 Cb -0.15 -1.74 0.01 0.00 0.56 0.00 0.00 36.38 35.06 1shn s VAL 247 CO 0.00 -0.56 0.64 -2.67 -0.31 0.00 0.00 175.10 172.20 1shn n TRP 248 N 0.10 0.00 -3.98 2.82 2.14 -1.26 -1.96 117.44 115.29 1shn n TRP 248 Ca -0.12 -0.08 -0.10 0.00 2.07 0.00 0.00 57.50 59.28 1shn n TRP 248 Cb 0.59 -0.02 -0.06 0.00 -0.81 0.00 0.00 31.31 31.01 1shn n TRP 248 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 1shn s ASN 249 N -0.32 -0.02 0.08 -0.67 2.20 -1.26 -4.41 114.94 110.54 1shn s ASN 249 Ca 0.01 -0.92 -0.23 0.00 -0.94 0.00 0.00 52.86 50.78 1shn s ASN 249 Cb 0.01 0.50 -0.14 0.00 -2.00 0.00 0.00 41.25 39.62 1shn s ASN 249 CO 0.00 -0.99 1.67 -0.09 -2.94 0.00 0.00 177.10 174.74 1shn h ARG 250 N 2.41 0.07 -0.23 3.55 2.43 -1.36 -1.94 114.38 119.31 1shn h ARG 250 Ca -0.30 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.92 1shn h ARG 250 Cb 1.24 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.72 1shn h ARG 250 CO 0.43 0.13 -0.15 -0.44 -1.51 0.00 0.00 179.97 178.44 1shn h ASP 251 N -0.01 -0.48 -0.62 -3.80 3.32 -1.86 0.02 116.42 112.99 1shn h ASP 251 Ca 0.02 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1shn h ASP 251 Cb 0.08 0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1shn h ASP 251 CO -0.00 -0.18 0.35 0.44 -1.72 0.00 0.00 179.24 178.12 1shn h ASP 252 N -0.13 0.76 -0.28 6.45 3.32 -1.97 -1.63 116.42 122.95 1shn h ASP 252 Ca 0.13 -0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.14 1shn h ASP 252 Cb 0.33 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 1shn h ASP 252 CO -0.31 0.63 -0.01 0.25 -1.72 0.00 0.00 179.24 178.07 1shn h LEU 253 N 0.84 -0.14 -1.66 1.55 5.85 -0.58 -1.95 115.31 119.22 1shn h LEU 253 Ca 0.22 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1shn h LEU 253 Cb 0.03 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1shn h LEU 253 CO -0.04 -0.04 0.00 -0.07 -0.34 0.00 0.00 178.44 177.96 1shn h LEU 254 N 0.07 0.00 -0.46 2.25 3.38 -0.71 -1.66 115.31 118.18 1shn h LEU 254 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1shn h LEU 254 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1shn h LEU 254 CO -0.24 0.00 -0.30 0.00 0.09 0.00 0.00 178.44 177.99 1shn n ALA 255 N -1.99 3.17 -1.81 1.53 0.00 -0.64 -4.94 120.51 115.84 1shn n ALA 255 Ca -0.00 -0.41 -0.41 0.00 0.00 0.00 0.00 53.44 52.61 1shn n ALA 255 Cb 0.21 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 1shn n ALA 255 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1shn s VAL 256 N -2.56 2.41 -0.65 0.00 1.01 -0.63 -4.89 120.40 115.10 1shn s VAL 256 Ca 0.22 0.37 -0.26 0.00 0.00 0.00 0.00 61.98 62.32 1shn s VAL 256 Cb 0.19 -3.24 0.04 0.00 0.00 0.00 0.00 36.38 33.37 1shn s VAL 256 CO 0.55 0.07 1.14 -0.62 0.00 0.00 0.00 175.10 176.24 1shn s ASP 257 N 0.07 6.28 0.08 3.32 -1.08 -1.26 -4.90 116.67 119.17 1shn s ASP 257 Ca 0.56 -0.36 -0.23 0.00 -0.52 0.00 0.00 52.55 52.00 1shn s ASP 257 Cb -0.44 -2.51 -0.14 0.00 -1.46 0.00 0.00 42.92 38.37 1shn s ASP 257 CO 0.51 -1.56 1.68 0.40 0.52 0.00 0.00 175.17 176.73 1shn h ILE 258 N 6.06 1.06 -0.13 4.11 1.08 -1.92 -2.18 117.51 125.59 1shn h ILE 258 Ca -0.27 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.02 1shn h ILE 258 Cb 1.06 1.11 -0.01 0.00 -3.07 0.00 0.00 36.82 35.92 1shn h ILE 258 CO 1.20 0.05 0.02 0.03 -0.69 0.00 0.00 178.15 178.76 1shn h ARG 259 N -0.02 0.18 -0.40 2.37 -0.00 -1.96 -3.02 114.38 111.54 1shn h ARG 259 Ca 0.01 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1shn h ARG 259 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 29.99 1shn h ARG 259 CO -0.00 0.18 0.00 0.09 0.00 0.00 0.00 179.97 180.24 1shn n ASN 260 N -4.45 3.14 -4.44 7.04 3.02 -1.11 -4.93 115.26 113.54 1shn n ASN 260 Ca -0.01 -1.93 -0.38 0.00 -0.03 0.00 0.00 54.58 52.24 1shn n ASN 260 Cb 0.13 -0.26 -0.12 0.00 -0.61 0.00 0.00 39.78 38.92 1shn n ASN 260 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1shn s THR 261 N -1.08 4.47 -0.12 3.41 2.01 -0.84 -4.70 115.64 118.79 1shn s THR 261 Ca 0.31 -0.30 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 1shn s THR 261 Cb 0.17 -3.19 -0.26 0.00 0.01 0.00 0.00 72.50 69.22 1shn s THR 261 CO 0.23 0.19 0.51 0.44 -0.69 0.00 0.00 174.62 175.30 1shn h ASP 262 N 8.29 0.33 -4.18 3.53 3.32 -1.54 -3.48 116.42 122.70 1shn h ASP 262 Ca -0.35 -0.83 -0.53 0.00 0.02 0.00 0.00 57.03 55.34 1shn h ASP 262 Cb 1.16 -0.11 -0.30 0.00 0.22 0.00 0.00 39.33 40.30 1shn h ASP 262 CO 0.59 1.61 -0.83 -0.31 -1.72 0.00 0.00 179.24 178.58 1shn s TYR 263 N -2.46 1.50 -0.07 4.55 1.51 -0.59 -4.82 117.35 116.97 1shn s TYR 263 Ca -0.21 -0.32 -0.00 0.00 -1.01 0.00 0.00 57.07 55.53 1shn s TYR 263 Cb 0.04 -0.98 0.02 0.00 -0.11 0.00 0.00 41.96 40.94 1shn s TYR 263 CO 0.75 -0.06 -0.03 -1.17 -1.11 0.00 0.00 175.55 173.93 1shn s LEU 264 N -0.27 0.99 -0.18 -1.29 2.96 -0.25 -1.58 118.68 119.07 1shn s LEU 264 Ca 0.04 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 1shn s LEU 264 Cb -0.08 -0.52 0.03 0.00 0.50 0.00 0.00 46.19 46.13 1shn s LEU 264 CO -0.00 -0.12 -0.16 -0.32 -1.32 0.00 0.00 176.35 174.43 1shn s MET 265 N 1.49 2.54 -0.27 1.98 -2.45 -0.54 -1.37 119.30 120.69 1shn s MET 265 Ca -0.02 -0.80 0.02 0.00 -1.25 0.00 0.00 55.69 53.64 1shn s MET 265 Cb -0.13 -2.43 0.07 0.00 1.25 0.00 0.00 34.83 33.59 1shn s MET 265 CO -0.03 -0.29 -0.02 0.20 1.05 0.00 0.00 175.02 175.92 1shn s GLY 266 N 1.35 1.48 -0.28 2.11 0.00 -0.11 -1.16 107.32 110.71 1shn s GLY 266 Ca 0.03 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.01 1shn s GLY 266 CO -0.11 0.95 -0.05 1.08 0.00 0.00 0.00 173.10 174.97 1shn s LEU 267 N 1.25 3.71 0.00 0.66 1.43 -0.83 -1.59 118.68 123.31 1shn s LEU 267 Ca -0.01 -1.33 0.25 0.00 -1.03 0.00 0.00 54.13 52.01 1shn s LEU 267 Cb -0.19 -1.64 0.46 0.00 0.03 0.00 0.00 46.19 44.85 1shn s LEU 267 CO -0.09 -0.23 1.41 0.49 0.23 0.00 0.00 176.35 178.17 1shn n PHE 268 N 4.54 0.01 -3.57 0.29 3.72 -0.26 -4.41 117.46 117.79 1shn n PHE 268 Ca -0.13 -0.01 -0.11 0.00 -0.05 0.00 0.00 57.45 57.15 1shn n PHE 268 Cb 0.43 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.93 1shn n PHE 268 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1shn s SER 269 N -1.99 -0.36 0.14 4.37 0.15 -1.26 -4.92 113.70 109.83 1shn s SER 269 Ca 0.31 -0.22 -0.13 0.00 0.70 0.00 0.00 55.95 56.62 1shn s SER 269 Cb 0.20 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 65.04 1shn s SER 269 CO 0.31 -0.92 1.55 0.22 1.20 0.00 0.00 173.24 175.60 1shn h TYR 270 N 2.21 0.95 0.00 3.44 3.20 -1.93 -2.15 116.97 122.69 1shn h TYR 270 Ca -0.33 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.33 1shn h TYR 270 Cb 1.28 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.31 1shn h TYR 270 CO 0.29 0.95 0.00 -2.37 -1.64 0.00 0.00 178.16 175.39 1shn n THR 271 N -4.28 0.00 -2.43 1.81 5.66 -1.26 -1.75 114.28 112.02 1shn n THR 271 Ca -0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1shn n THR 271 Cb 0.38 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.13 1shn n THR 271 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1shn s HIS 272 N 3.97 3.00 0.61 1.09 3.76 -1.26 0.50 115.29 126.96 1shn s HIS 272 Ca 0.00 1.58 -0.19 0.00 -0.15 0.00 0.00 55.06 56.30 1shn s HIS 272 Cb 0.00 -3.19 -0.03 0.00 1.11 0.00 0.00 32.58 30.47 1shn s HIS 272 CO 0.00 -1.04 1.31 -0.51 -0.85 0.00 0.00 174.74 173.65 1shn s LEU 273 N -3.16 3.68 0.46 0.89 1.43 -0.57 -4.88 118.68 116.54 1shn s LEU 273 Ca 0.64 2.65 -0.23 0.00 -1.03 0.00 0.00 54.13 56.16 1shn s LEU 273 Cb -0.22 -4.50 -0.09 0.00 0.03 0.00 0.00 46.19 41.41 1shn s LEU 273 CO 0.27 -1.81 1.08 0.47 0.23 0.00 0.00 176.35 176.59 1shn n ASP 274 N -1.56 1.54 -4.70 2.29 8.00 -1.26 -4.93 116.55 115.92 1shn n ASP 274 Ca 0.14 1.00 -0.34 0.00 0.71 0.00 0.00 54.79 56.30 1shn n ASP 274 Cb 0.47 -1.41 0.12 0.00 -0.02 0.00 0.00 41.12 40.28 1shn n ASP 274 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1shn s THR 275 N -1.31 2.01 0.23 -3.53 -4.23 -1.26 -4.63 115.64 102.93 1shn s THR 275 Ca 0.65 0.01 -0.14 0.00 -1.18 0.00 0.00 61.69 61.03 1shn s THR 275 Cb -0.51 -2.53 0.29 0.00 1.34 0.00 0.00 72.50 71.09 1shn s THR 275 CO 0.55 -0.00 1.58 0.58 -0.54 0.00 0.00 174.62 176.78 1shn h VAL 276 N -0.62 0.11 0.00 2.29 2.07 -1.91 0.73 116.25 118.92 1shn h VAL 276 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1shn h VAL 276 Cb 1.31 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1shn h VAL 276 CO 0.47 0.00 0.00 0.18 0.02 0.00 0.00 177.57 178.24 1shn n LEU 277 N -5.51 0.00 -0.00 2.57 4.77 -1.26 -3.43 117.00 114.14 1shn n LEU 277 Ca 0.10 0.27 0.01 0.00 -0.03 0.00 0.00 56.01 56.37 1shn n LEU 277 Cb 0.41 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1shn n LEU 277 CO -0.07 -0.03 -0.22 0.35 -1.33 0.00 0.00 177.39 176.09 1shn n THR 278 N -1.27 0.00 -2.28 -5.08 -2.24 -0.72 -5.07 114.28 97.60 1shn n THR 278 Ca 0.13 -0.29 -0.35 0.00 -2.27 0.00 0.00 64.05 61.27 1shn n THR 278 Cb 0.21 0.77 -0.00 0.00 -2.10 0.00 0.00 70.33 69.21 1shn n THR 278 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1shn s ARG 279 N -1.63 3.45 -0.54 -0.78 1.70 0.17 -4.91 118.95 116.42 1shn s ARG 279 Ca 0.00 1.62 -0.28 0.00 -0.47 0.00 0.00 55.73 56.59 1shn s ARG 279 Cb 0.02 -2.07 0.03 0.00 -0.57 0.00 0.00 34.95 32.36 1shn s ARG 279 CO 0.11 -0.77 1.16 0.34 -1.08 0.00 0.00 175.30 175.06 1shn s ASP 280 N -1.73 6.52 0.39 -2.89 -1.08 -1.26 -4.88 116.67 111.75 1shn s ASP 280 Ca 0.71 0.24 0.28 0.00 -0.52 0.00 0.00 52.55 53.25 1shn s ASP 280 Cb -0.24 -2.55 1.37 0.00 -1.46 0.00 0.00 42.92 40.04 1shn s ASP 280 CO 0.27 -1.37 1.84 0.00 0.52 0.00 0.00 175.17 176.43 1shn h ALA 281 N 9.40 1.00 0.14 3.66 0.00 -1.93 -1.15 119.26 130.38 1shn h ALA 281 Ca -0.24 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.39 1shn h ALA 281 Cb 1.06 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1shn h ALA 281 CO 1.16 0.00 -1.25 1.49 0.00 0.00 0.00 179.25 180.65 1shn h GLU 282 N 0.00 0.37 0.00 0.00 4.81 -2.03 -3.38 114.58 114.35 1shn h GLU 282 Ca 0.00 -0.58 -0.28 0.00 -0.13 0.00 0.00 59.36 58.37 1shn h GLU 282 Cb 0.16 0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 1shn h GLU 282 CO 0.00 1.26 -2.00 -1.33 -0.73 0.00 0.00 179.01 176.22 1shn n MET 283 N -3.62 0.66 -4.48 1.92 2.81 -0.53 -4.44 117.12 109.45 1shn n MET 283 Ca -0.10 0.10 -0.34 0.00 -1.81 0.00 0.00 57.70 55.55 1shn n MET 283 Cb 1.01 -1.65 -0.12 0.00 -0.71 0.00 0.00 33.22 31.76 1shn n MET 283 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1shn s ASP 284 N -5.62 4.75 0.48 7.83 1.01 -0.66 -1.17 116.67 123.28 1shn s ASP 284 Ca -0.07 -0.09 -0.20 0.00 0.71 0.00 0.00 52.55 52.90 1shn s ASP 284 Cb 0.08 -1.59 -0.09 0.00 1.01 0.00 0.00 42.92 42.33 1shn s ASP 284 CO 0.83 0.24 1.01 -2.16 0.21 0.00 0.00 175.17 175.30 1shn s PRO 285 N -0.04 3.87 0.73 8.23 0.04 -1.26 -4.68 135.00 141.90 1shn s PRO 285 Ca 0.01 1.26 -0.07 0.00 0.04 0.00 0.00 61.00 62.23 1shn s PRO 285 Cb -0.13 -2.11 0.08 0.00 0.04 0.00 0.00 34.50 32.37 1shn s PRO 285 CO 0.03 -0.36 1.04 0.95 0.04 0.00 0.00 177.00 178.71 1shn s THR 286 N -2.12 2.23 0.18 1.26 -4.23 -1.26 -4.85 115.64 106.85 1shn s THR 286 Ca 0.65 -0.26 -0.13 0.00 -1.18 0.00 0.00 61.69 60.77 1shn s THR 286 Cb -0.14 -2.97 0.09 0.00 1.34 0.00 0.00 72.50 70.83 1shn s THR 286 CO 0.21 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.36 1shn h LEU 287 N -0.70 0.73 -1.09 4.79 5.85 -1.97 -0.99 115.31 121.94 1shn h LEU 287 Ca -0.44 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.26 1shn h LEU 287 Cb 1.31 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 1shn h LEU 287 CO 0.57 0.57 0.62 -0.65 -0.34 0.00 0.00 178.44 179.21 1shn h PRO 288 N 0.82 1.15 -0.48 5.25 0.11 -1.88 0.25 132.00 137.22 1shn h PRO 288 Ca 0.22 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.20 1shn h PRO 288 Cb -0.03 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 30.81 1shn h PRO 288 CO -0.04 0.76 0.08 0.93 -0.21 0.00 0.00 178.00 179.52 1shn h GLU 289 N 1.18 0.80 -0.41 1.05 5.08 -1.69 0.48 114.58 121.08 1shn h GLU 289 Ca 0.37 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 1shn h GLU 289 Cb 0.00 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1shn h GLU 289 CO -0.11 0.80 -0.15 0.52 -1.00 0.00 0.00 179.01 179.07 1shn h MET 290 N 0.67 0.75 -0.31 2.33 2.86 -0.92 -2.63 114.93 117.69 1shn h MET 290 Ca 0.15 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1shn h MET 290 Cb 0.39 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1shn h MET 290 CO 0.01 0.86 0.13 1.15 1.06 0.00 0.00 176.91 180.12 1shn h THR 291 N 0.68 1.17 -0.09 2.22 2.02 0.04 -1.20 112.91 117.75 1shn h THR 291 Ca 0.11 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 1shn h THR 291 Cb 0.63 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1shn h THR 291 CO 0.04 0.18 0.05 0.50 0.37 0.00 0.00 175.52 176.67 1shn h LYS 292 N 0.36 0.12 -0.67 6.66 3.64 -0.71 -0.49 116.57 125.48 1shn h LYS 292 Ca 0.10 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1shn h LYS 292 Cb 0.16 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1shn h LYS 292 CO -0.01 0.14 0.45 0.28 -2.27 0.00 0.00 179.45 178.03 1shn h VAL 293 N 0.07 1.17 -0.30 2.00 2.07 -1.31 0.61 116.25 120.57 1shn h VAL 293 Ca 0.03 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.30 1shn h VAL 293 Cb 0.05 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 29.94 1shn h VAL 293 CO -0.01 0.17 -0.09 0.00 0.02 0.00 0.00 177.57 177.66 1shn h ALA 294 N 1.25 0.18 -0.51 1.67 0.00 -1.02 0.40 119.26 121.22 1shn h ALA 294 Ca 0.25 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 1shn h ALA 294 Cb -0.10 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1shn h ALA 294 CO -0.05 -0.48 0.05 0.82 0.00 0.00 0.00 179.25 179.58 1shn h ILE 295 N -0.02 1.26 -0.63 0.00 2.04 -0.65 -0.78 117.51 118.73 1shn h ILE 295 Ca 0.14 -1.01 0.10 0.00 1.00 0.00 0.00 64.86 65.09 1shn h ILE 295 Cb 0.24 0.90 -0.08 0.00 -0.74 0.00 0.00 36.82 37.15 1shn h ILE 295 CO -0.32 0.36 0.24 -0.33 0.00 0.00 0.00 178.15 178.10 1shn h GLU 296 N 0.75 0.40 0.09 2.37 5.08 -0.35 -0.00 114.58 122.92 1shn h GLU 296 Ca 0.15 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1shn h GLU 296 Cb 0.46 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1shn h GLU 296 CO 0.02 0.27 -0.04 0.52 -1.00 0.00 0.00 179.01 178.77 1shn h MET 297 N 0.42 -0.12 0.00 2.33 2.86 -0.60 -3.23 114.93 116.59 1shn h MET 297 Ca 0.32 0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.90 1shn h MET 297 Cb 0.41 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1shn h MET 297 CO -0.32 0.25 -0.33 -0.07 1.06 0.00 0.00 176.91 177.50 1shn h LEU 298 N -0.51 0.00 -0.09 1.22 3.38 -0.93 -2.72 115.31 115.65 1shn h LEU 298 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1shn h LEU 298 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1shn h LEU 298 CO 0.02 0.33 0.00 1.07 0.09 0.00 0.00 178.44 179.95 1shn n THR 299 N -3.84 0.61 0.30 0.22 5.66 -0.03 -1.86 114.28 115.33 1shn n THR 299 Ca -0.01 0.12 0.16 0.00 -3.05 0.00 0.00 64.05 61.27 1shn n THR 299 Cb 0.40 -0.82 0.78 0.00 -1.55 0.00 0.00 70.33 69.14 1shn n THR 299 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1shn h LYS 300 N 0.00 0.00 -6.65 1.09 1.57 -1.55 -3.41 116.57 107.62 1shn h LYS 300 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1shn h LYS 300 Cb 0.39 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.63 1shn h LYS 300 CO 0.00 0.00 0.92 0.34 -0.57 0.00 0.00 179.45 180.14 1shn s ASP 301 N -4.88 6.58 0.21 0.86 -1.08 -0.78 -4.90 116.67 112.68 1shn s ASP 301 Ca -0.01 0.35 0.18 0.00 -0.52 0.00 0.00 52.55 52.55 1shn s ASP 301 Cb 0.10 -2.54 0.86 0.00 -1.46 0.00 0.00 42.92 39.87 1shn s ASP 301 CO 0.40 -1.30 1.56 -0.62 0.52 0.00 0.00 175.17 175.73 1shn n GLU 302 N 7.96 0.12 0.00 4.34 1.02 -1.26 -1.43 120.64 131.39 1shn n GLU 302 Ca 0.11 0.49 0.12 0.00 -0.02 0.00 0.00 57.16 57.86 1shn n GLU 302 Cb 0.49 -1.80 0.21 0.00 -0.02 0.00 0.00 31.44 30.32 1shn n GLU 302 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1shn n ASN 303 N -2.04 1.53 0.00 1.62 5.03 -1.26 -5.08 115.26 115.06 1shn n ASN 303 Ca 0.01 -1.22 0.00 0.00 0.87 0.00 0.00 54.58 54.24 1shn n ASN 303 Cb 0.12 0.27 0.00 0.00 -1.02 0.00 0.00 39.78 39.15 1shn n ASN 303 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1shn n GLY 304 N 1.37 1.40 3.34 7.41 0.00 -0.52 -4.87 105.19 113.31 1shn n GLY 304 Ca 0.11 -2.19 -0.11 0.00 0.00 0.00 0.00 46.02 43.83 1shn n GLY 304 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1shn s PHE 305 N -1.46 -0.27 -0.06 1.61 -0.71 -1.20 -2.01 117.98 113.88 1shn s PHE 305 Ca 0.00 0.05 0.04 0.00 -1.04 0.00 0.00 56.93 55.98 1shn s PHE 305 Cb 0.00 0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 42.08 1shn s PHE 305 CO 0.00 -0.69 -0.18 0.12 -1.34 0.00 0.00 175.22 173.13 1shn s PHE 306 N -3.43 2.61 -0.03 3.49 5.36 -0.12 -1.32 117.98 124.55 1shn s PHE 306 Ca 0.00 -0.42 0.01 0.00 -0.96 0.00 0.00 56.93 55.56 1shn s PHE 306 Cb 0.01 -1.65 0.02 0.00 -0.34 0.00 0.00 43.02 41.06 1shn s PHE 306 CO -0.09 -0.01 -0.01 -1.17 -1.46 0.00 0.00 175.22 172.47 1shn s LEU 307 N -0.37 1.30 -0.18 6.12 2.96 -0.02 -2.16 118.68 126.33 1shn s LEU 307 Ca 0.03 -0.04 -0.07 0.00 -0.22 0.00 0.00 54.13 53.83 1shn s LEU 307 Cb -0.12 -0.23 -0.04 0.00 0.50 0.00 0.00 46.19 46.29 1shn s LEU 307 CO 0.02 -0.08 0.06 -0.22 -1.32 0.00 0.00 176.35 174.82 1shn s LEU 308 N 0.85 3.83 -0.11 -0.68 2.96 -1.02 -0.51 118.68 123.99 1shn s LEU 308 Ca -0.09 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1shn s LEU 308 Cb -0.12 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.62 1shn s LEU 308 CO -0.01 0.19 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.37 1shn s VAL 309 N 0.29 1.48 -0.15 1.68 1.01 -0.29 -0.33 120.40 124.10 1shn s VAL 309 Ca 0.04 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1shn s VAL 309 Cb -0.12 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 1shn s VAL 309 CO 0.00 0.44 -0.15 -0.70 0.00 0.00 0.00 175.10 174.69 1shn s GLU 310 N 1.10 3.23 -0.99 2.72 2.12 0.56 -1.03 118.70 126.41 1shn s GLU 310 Ca -0.04 -0.75 -0.18 0.00 0.36 0.00 0.00 54.97 54.36 1shn s GLU 310 Cb -0.14 -2.61 0.13 0.00 0.26 0.00 0.00 34.13 31.76 1shn s GLU 310 CO -0.03 0.04 1.22 0.20 -0.54 0.00 0.00 175.26 176.15 1shn s GLY 311 N 0.75 1.94 0.03 -1.50 0.00 -0.05 -2.50 107.32 105.99 1shn s GLY 311 Ca -0.06 -2.83 0.18 0.00 0.00 0.00 0.00 44.72 42.01 1shn s GLY 311 CO 0.01 2.10 0.73 0.61 0.00 0.00 0.00 173.10 176.54 1shn n GLY 312 N 5.39 -1.17 0.34 0.20 0.00 -1.26 -1.67 105.19 107.02 1shn n GLY 312 Ca 0.28 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1shn n GLY 312 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shn n ARG 313 N -2.81 1.46 -0.23 1.61 1.74 -1.26 -3.10 116.66 114.08 1shn n ARG 313 Ca -0.11 -0.68 0.00 0.00 -0.77 0.00 0.00 57.85 56.29 1shn n ARG 313 Cb 0.84 -1.42 0.12 0.00 -1.02 0.00 0.00 32.46 30.98 1shn n ARG 313 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1shn h ILE 314 N 1.52 0.84 -0.07 0.55 2.04 -1.76 -1.67 117.51 118.97 1shn h ILE 314 Ca 0.00 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1shn h ILE 314 Cb 0.33 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1shn h ILE 314 CO 0.00 0.10 0.02 -0.78 0.00 0.00 0.00 178.15 177.49 1shn h ASP 315 N 0.55 0.10 -0.81 1.72 3.58 -1.16 -2.17 116.42 118.23 1shn h ASP 315 Ca 0.33 -0.18 0.03 0.00 0.42 0.00 0.00 57.03 57.63 1shn h ASP 315 Cb 0.34 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.32 1shn h ASP 315 CO -0.26 0.26 0.51 0.45 -2.88 0.00 0.00 179.24 177.31 1shn h HIS 316 N -0.06 0.96 -0.54 0.28 3.86 -1.63 0.74 115.15 118.75 1shn h HIS 316 Ca 0.02 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.16 1shn h HIS 316 Cb 0.19 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 1shn h HIS 316 CO -0.01 0.55 -0.05 0.52 0.86 0.00 0.00 177.93 179.79 1shn h MET 317 N 1.00 0.99 -0.84 2.45 2.86 -1.18 -2.64 114.93 117.57 1shn h MET 317 Ca 0.33 -0.34 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1shn h MET 317 Cb 0.02 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 1shn h MET 317 CO -0.12 1.02 0.55 0.45 1.06 0.00 0.00 176.91 179.87 1shn h HIS 318 N 0.86 1.04 -0.53 -0.22 -0.00 -0.69 0.19 115.15 115.80 1shn h HIS 318 Ca 0.15 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.60 1shn h HIS 318 Cb 0.60 -0.35 -0.03 0.00 -0.00 0.00 0.00 27.41 27.63 1shn h HIS 318 CO 0.04 0.64 0.35 0.45 -0.00 0.00 0.00 177.93 179.42 1shn h HIS 319 N 1.11 0.49 -0.25 2.45 3.86 -0.52 0.23 115.15 122.52 1shn h HIS 319 Ca 0.31 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1shn h HIS 319 Cb -0.10 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.21 1shn h HIS 319 CO -0.02 0.27 0.00 0.00 0.86 0.00 0.00 177.93 179.04 1shn n ALA 320 N -2.50 2.48 -1.94 2.45 0.00 -0.76 -0.98 120.51 119.26 1shn n ALA 320 Ca 0.07 -0.67 -0.21 0.00 0.00 0.00 0.00 53.44 52.64 1shn n ALA 320 Cb 0.24 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 1shn n ALA 320 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1shn n ASN 321 N 0.67 -5.65 -4.25 0.00 5.03 0.82 -4.66 115.26 107.21 1shn n ASN 321 Ca 0.17 0.29 -0.43 0.00 0.87 0.00 0.00 54.58 55.48 1shn n ASN 321 Cb 0.40 -4.86 0.00 0.00 -1.02 0.00 0.00 39.78 34.30 1shn n ASN 321 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1shn n GLN 322 N -2.64 3.39 0.04 3.52 6.02 0.59 -1.76 117.38 126.55 1shn n GLN 322 Ca -0.22 -3.60 -0.09 0.00 -0.01 0.00 0.00 57.00 53.08 1shn n GLN 322 Cb 0.68 -3.08 0.06 0.00 1.02 0.00 0.00 30.24 28.92 1shn n GLN 322 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 1shn h ILE 323 N 4.44 1.36 -0.20 5.09 6.09 -1.79 -1.82 117.51 130.68 1shn h ILE 323 Ca 0.37 -1.98 0.04 0.00 -1.37 0.00 0.00 64.86 61.93 1shn h ILE 323 Cb 0.78 1.97 -0.04 0.00 0.47 0.00 0.00 36.82 40.00 1shn h ILE 323 CO 1.43 0.60 -0.08 -0.09 -3.07 0.00 0.00 178.15 176.94 1shn h ARG 324 N 0.30 -0.04 -0.38 2.19 2.43 -1.89 -0.90 114.38 116.09 1shn h ARG 324 Ca -0.01 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1shn h ARG 324 Cb 1.19 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 1shn h ARG 324 CO 0.11 -0.03 -0.07 1.96 -1.51 0.00 0.00 179.97 180.44 1shn h GLN 325 N -0.04 0.65 -0.62 0.20 4.20 -1.71 -2.12 115.11 115.67 1shn h GLN 325 Ca 0.10 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1shn h GLN 325 Cb 0.20 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1shn h GLN 325 CO -0.23 0.71 0.41 1.03 -0.67 0.00 0.00 178.83 180.08 1shn h SER 326 N 0.60 0.71 -0.62 1.46 0.87 -0.58 -0.63 113.55 115.35 1shn h SER 326 Ca 0.11 -0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.58 1shn h SER 326 Cb 0.48 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1shn h SER 326 CO 0.03 0.51 0.10 -0.07 -0.53 0.00 0.00 176.83 176.87 1shn h LEU 327 N 0.84 0.98 -1.03 2.23 3.38 -0.84 -0.09 115.31 120.78 1shn h LEU 327 Ca 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1shn h LEU 327 Cb -0.09 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.36 1shn h LEU 327 CO -0.05 0.99 0.48 0.00 0.09 0.00 0.00 178.44 179.95 1shn h ALA 328 N 1.03 1.27 -0.42 1.53 0.00 -0.75 -0.96 119.26 120.95 1shn h ALA 328 Ca 0.19 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1shn h ALA 328 Cb 0.43 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1shn h ALA 328 CO 0.01 0.61 -0.17 0.93 0.00 0.00 0.00 179.25 180.63 1shn h GLU 329 N 1.17 0.80 -0.65 0.00 4.39 -0.60 -2.25 114.58 117.44 1shn h GLU 329 Ca 0.30 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1shn h GLU 329 Cb -0.01 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 1shn h GLU 329 CO -0.05 0.91 0.28 1.15 -1.16 0.00 0.00 179.01 180.15 1shn h THR 330 N 0.71 1.23 0.00 1.13 2.02 -0.28 -2.72 112.91 115.00 1shn h THR 330 Ca 0.11 -0.69 -0.08 0.00 0.77 0.00 0.00 66.41 66.52 1shn h THR 330 Cb 0.67 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1shn h THR 330 CO 0.05 0.28 -0.37 -0.07 0.37 0.00 0.00 175.52 175.78 1shn h LEU 331 N 0.91 0.00 -1.46 2.58 3.38 -0.94 -0.90 115.31 118.88 1shn h LEU 331 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1shn h LEU 331 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1shn h LEU 331 CO -0.02 0.37 0.19 -0.78 0.09 0.00 0.00 178.44 178.29 1shn h ASP 332 N 0.00 0.49 0.59 -0.43 3.58 -1.11 -0.63 116.42 118.92 1shn h ASP 332 Ca -0.00 -0.04 -0.22 0.00 0.42 0.00 0.00 57.03 57.18 1shn h ASP 332 Cb 0.72 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 1shn h ASP 332 CO 0.05 0.43 -1.00 -0.03 -2.88 0.00 0.00 179.24 175.81 1shn h MET 333 N 0.56 0.23 -0.71 0.28 4.05 -1.08 -2.38 114.93 115.89 1shn h MET 333 Ca 0.14 -0.30 -0.01 0.00 -0.28 0.00 0.00 59.70 59.25 1shn h MET 333 Cb 0.06 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.92 1shn h MET 333 CO -0.02 1.06 0.40 1.49 0.23 0.00 0.00 176.91 180.06 1shn h GLU 334 N 0.11 0.97 0.00 0.39 4.22 -0.36 -1.34 114.58 118.57 1shn h GLU 334 Ca -0.07 -0.10 -0.13 0.00 0.08 0.00 0.00 59.36 59.14 1shn h GLU 334 Cb 1.67 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.70 1shn h GLU 334 CO 0.16 0.70 -0.63 0.93 -2.18 0.00 0.00 179.01 177.99 1shn h GLU 335 N 0.98 0.00 -0.09 1.92 5.08 -1.04 -2.64 114.58 118.79 1shn h GLU 335 Ca 0.25 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.47 1shn h GLU 335 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1shn h GLU 335 CO -0.04 0.63 -0.58 0.00 -1.00 0.00 0.00 179.01 178.01 1shn h ALA 336 N 1.37 0.84 -0.41 3.43 0.00 -0.78 -1.18 119.26 122.54 1shn h ALA 336 Ca -0.01 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1shn h ALA 336 Cb 1.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1shn h ALA 336 CO 0.08 0.71 0.17 0.28 0.00 0.00 0.00 179.25 180.49 1shn h VAL 337 N 0.22 1.19 -0.95 0.00 2.07 -1.11 -0.67 116.25 116.99 1shn h VAL 337 Ca -0.00 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 66.98 1shn h VAL 337 Cb 1.09 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 1shn h VAL 337 CO 0.09 0.22 0.61 0.28 0.02 0.00 0.00 177.57 178.79 1shn h SER 338 N 0.52 1.00 -0.34 0.57 0.02 -1.27 0.14 113.55 114.19 1shn h SER 338 Ca 0.14 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1shn h SER 338 Cb 0.18 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1shn h SER 338 CO -0.01 0.66 0.21 -0.03 -1.14 0.00 0.00 176.83 176.51 1shn h MET 339 N 1.15 0.46 -0.72 3.45 -1.53 -0.87 -0.90 114.93 115.97 1shn h MET 339 Ca 0.40 -0.04 -0.03 0.00 -3.44 0.00 0.00 59.70 56.59 1shn h MET 339 Cb 0.10 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 31.02 1shn h MET 339 CO -0.15 0.35 0.34 0.00 0.14 0.00 0.00 176.91 177.59 1shn h ALA 340 N 1.09 0.93 -0.62 0.39 0.00 -0.41 -2.52 119.26 118.13 1shn h ALA 340 Ca 0.12 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1shn h ALA 340 Cb 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1shn h ALA 340 CO -0.02 0.50 0.09 -0.07 0.00 0.00 0.00 179.25 179.74 1shn h LEU 341 N 1.01 0.96 -1.03 0.00 3.38 -0.70 -2.61 115.31 116.33 1shn h LEU 341 Ca 0.25 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1shn h LEU 341 Cb 0.12 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1shn h LEU 341 CO -0.03 0.97 0.00 0.77 0.09 0.00 0.00 178.44 180.24 1shn h SER 342 N 0.95 0.00 -0.00 -0.43 4.64 -0.73 -3.19 113.55 114.78 1shn h SER 342 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1shn h SER 342 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1shn h SER 342 CO 0.01 0.00 -0.28 0.23 -0.87 0.00 0.00 176.83 175.92 1shn n MET 343 N -2.31 3.08 -4.45 4.77 2.81 -1.01 -5.04 117.12 114.98 1shn n MET 343 Ca 0.01 -0.31 -0.22 0.00 -1.81 0.00 0.00 57.70 55.36 1shn n MET 343 Cb 0.17 -0.98 -0.10 0.00 -0.71 0.00 0.00 33.22 31.60 1shn n MET 343 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1shn s THR 344 N -1.49 1.92 -0.36 2.03 -4.23 -1.05 -5.09 115.64 107.37 1shn s THR 344 Ca 0.05 -2.20 -0.16 0.00 -1.18 0.00 0.00 61.69 58.21 1shn s THR 344 Cb 0.07 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.47 1shn s THR 344 CO 0.28 -0.33 0.37 -0.62 -0.54 0.00 0.00 174.62 173.78 1shn s ASP 345 N -3.48 6.18 0.24 3.99 -1.08 -1.26 -4.93 116.67 116.32 1shn s ASP 345 Ca 0.29 -0.31 0.21 0.00 -0.52 0.00 0.00 52.55 52.22 1shn s ASP 345 Cb 0.02 -2.20 0.94 0.00 -1.46 0.00 0.00 42.92 40.22 1shn s ASP 345 CO 0.13 -0.38 1.63 -0.81 0.52 0.00 0.00 175.17 176.26 1shn n PRO 346 N 5.41 0.15 0.00 4.34 -0.04 -1.26 -1.08 135.00 142.52 1shn n PRO 346 Ca -0.09 0.47 0.10 0.00 -0.04 0.00 0.00 63.50 63.95 1shn n PRO 346 Cb 0.49 -1.84 0.45 0.00 -0.04 0.00 0.00 33.50 32.56 1shn n PRO 346 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1shn n GLU 347 N -2.13 0.02 0.00 0.54 -0.58 -1.26 -3.85 120.64 113.39 1shn n GLU 347 Ca 0.01 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1shn n GLU 347 Cb 0.15 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 1shn n GLU 347 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1shn n GLU 348 N -1.48 0.49 -4.31 3.49 0.28 -0.42 -4.73 120.64 113.95 1shn n GLU 348 Ca 0.05 -0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.72 1shn n GLU 348 Cb 0.24 -0.04 -0.15 0.00 1.43 0.00 0.00 31.44 32.92 1shn n GLU 348 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1shn s THR 349 N -0.07 2.93 -0.08 3.84 2.01 -0.24 -1.09 115.64 122.94 1shn s THR 349 Ca 0.00 -0.67 -0.23 0.00 0.31 0.00 0.00 61.69 61.10 1shn s THR 349 Cb 0.00 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1shn s THR 349 CO 0.00 0.49 0.70 -0.63 -0.69 0.00 0.00 174.62 174.49 1shn s ILE 350 N 1.00 5.04 -0.18 1.82 1.01 0.33 -4.26 121.20 125.98 1shn s ILE 350 Ca -0.01 1.43 -0.00 0.00 0.00 0.00 0.00 60.65 62.07 1shn s ILE 350 Cb -0.15 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1shn s ILE 350 CO -0.02 0.24 -0.15 -0.63 0.00 0.00 0.00 174.94 174.38 1shn s ILE 351 N 0.90 2.60 -0.04 2.92 1.01 0.63 -0.69 121.20 128.51 1shn s ILE 351 Ca 0.37 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.29 1shn s ILE 351 Cb -0.18 -2.12 -0.00 0.00 0.01 0.00 0.00 42.46 40.17 1shn s ILE 351 CO 0.17 0.50 -0.18 -0.22 0.00 0.00 0.00 174.94 175.22 1shn s LEU 352 N 1.14 1.93 -0.05 2.97 0.20 -0.76 -0.54 118.68 123.57 1shn s LEU 352 Ca 0.01 -0.37 0.06 0.00 0.69 0.00 0.00 54.13 54.53 1shn s LEU 352 Cb -0.14 -1.00 -0.01 0.00 -0.43 0.00 0.00 46.19 44.60 1shn s LEU 352 CO -0.06 0.16 -0.25 -0.69 -0.29 0.00 0.00 176.35 175.23 1shn s VAL 353 N 0.02 2.00 0.29 1.68 1.01 0.73 -0.64 120.40 125.50 1shn s VAL 353 Ca -0.04 -1.05 -0.07 0.00 0.00 0.00 0.00 61.98 60.82 1shn s VAL 353 Cb -0.12 -1.68 0.03 0.00 0.00 0.00 0.00 36.38 34.61 1shn s VAL 353 CO 0.02 0.56 0.50 1.07 0.00 0.00 0.00 175.10 177.26 1shn n THR 354 N 2.84 0.00 -4.41 3.92 5.66 -0.35 -0.98 114.28 120.96 1shn n THR 354 Ca -0.17 -1.03 -0.26 0.00 -3.05 0.00 0.00 64.05 59.54 1shn n THR 354 Cb 0.52 0.80 -0.12 0.00 -1.55 0.00 0.00 70.33 69.98 1shn n THR 354 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1shn s ALA 355 N -2.12 2.44 0.14 1.79 0.00 -1.24 -1.17 121.76 121.61 1shn s ALA 355 Ca 0.17 -1.60 -0.05 0.00 0.00 0.00 0.00 51.96 50.47 1shn s ALA 355 Cb -0.02 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 1shn s ALA 355 CO 0.12 0.42 1.35 0.38 0.00 0.00 0.00 175.76 178.03 1shn h ASP 356 N 3.30 0.62 -5.44 0.00 2.03 -1.93 -3.47 116.42 111.53 1shn h ASP 356 Ca -0.46 -0.44 0.21 0.00 -0.73 0.00 0.00 57.03 55.61 1shn h ASP 356 Cb 1.20 -0.19 -0.09 0.00 -0.83 0.00 0.00 39.33 39.43 1shn h ASP 356 CO 0.47 1.21 0.57 -1.38 -1.03 0.00 0.00 179.24 179.08 1shn s HIS 357 N -3.52 -0.10 0.00 4.15 -3.43 -1.26 -4.86 115.29 106.27 1shn s HIS 357 Ca -0.07 -0.17 0.00 0.00 -0.80 0.00 0.00 55.06 54.02 1shn s HIS 357 Cb 0.09 0.62 0.00 0.00 -1.43 0.00 0.00 32.58 31.87 1shn s HIS 357 CO 0.87 -0.71 0.00 0.41 -2.00 0.00 0.00 174.74 173.31 1shn n GLY 358 N -0.49 2.49 3.16 -1.38 0.00 -1.15 -2.76 105.19 105.06 1shn n GLY 358 Ca -0.06 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.76 1shn n GLY 358 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1shn s HIS 359 N 1.16 0.84 0.00 1.61 3.76 -1.22 -1.71 115.29 119.73 1shn s HIS 359 Ca 0.00 -0.95 0.00 0.00 -0.15 0.00 0.00 55.06 53.96 1shn s HIS 359 Cb 0.00 -0.50 0.00 0.00 1.11 0.00 0.00 32.58 33.19 1shn s HIS 359 CO 0.00 -0.20 1.78 0.25 -0.85 0.00 0.00 174.74 175.71 1shn n THR 360 N -0.03 1.78 -2.48 1.30 -2.24 -1.26 -4.64 114.28 106.71 1shn n THR 360 Ca -0.12 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 60.85 1shn n THR 360 Cb 0.61 -1.40 -0.04 0.00 -2.10 0.00 0.00 70.33 67.41 1shn n THR 360 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1shn s LEU 361 N 0.00 4.44 0.20 3.22 2.96 -1.26 -0.60 118.68 127.63 1shn s LEU 361 Ca 0.00 2.05 0.06 0.00 -0.22 0.00 0.00 54.13 56.02 1shn s LEU 361 Cb 0.00 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 1shn s LEU 361 CO 0.00 -0.32 -0.10 0.42 -1.32 0.00 0.00 176.35 175.03 1shn s THR 362 N 0.30 1.42 -0.39 3.68 -4.23 0.89 -4.77 115.64 112.54 1shn s THR 362 Ca 0.53 -2.12 0.03 0.00 -1.18 0.00 0.00 61.69 58.95 1shn s THR 362 Cb -0.29 -2.07 0.11 0.00 1.34 0.00 0.00 72.50 71.59 1shn s THR 362 CO 0.33 -0.57 0.13 -0.63 -0.54 0.00 0.00 174.62 173.33 1shn s ILE 363 N -3.17 2.06 0.54 2.99 1.01 -1.26 -2.55 121.20 120.81 1shn s ILE 363 Ca 0.22 -2.47 -0.07 0.00 0.00 0.00 0.00 60.65 58.32 1shn s ILE 363 Cb 0.02 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 1shn s ILE 363 CO 0.05 -0.69 0.88 0.42 0.00 0.00 0.00 174.94 175.60 1shn s THR 364 N 0.65 4.68 0.52 2.92 -4.23 0.63 -5.03 115.64 115.79 1shn s THR 364 Ca 0.13 0.40 0.03 0.00 -1.18 0.00 0.00 61.69 61.07 1shn s THR 364 Cb -0.21 -3.81 0.03 0.00 1.34 0.00 0.00 72.50 69.85 1shn s THR 364 CO -0.08 -0.90 0.73 -0.83 -0.54 0.00 0.00 174.62 173.00 1shn s GLY 365 N -4.16 1.86 -0.48 3.99 0.00 -1.26 -4.67 107.32 102.60 1shn s GLY 365 Ca 0.51 -1.46 0.06 0.00 0.00 0.00 0.00 44.72 43.82 1shn s GLY 365 CO 0.48 -1.19 0.47 -1.72 0.00 0.00 0.00 173.10 171.14 1shn n TYR 366 N -2.22 0.43 -2.46 1.90 4.01 -1.25 -4.76 117.16 112.80 1shn n TYR 366 Ca 0.08 -3.64 -0.32 0.00 -0.16 0.00 0.00 57.90 53.86 1shn n TYR 366 Cb 0.60 -0.16 -0.04 0.00 -0.31 0.00 0.00 39.34 39.43 1shn n TYR 366 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1shn s ALA 367 N -0.85 3.01 0.75 -0.72 0.00 -1.26 -4.98 121.76 117.71 1shn s ALA 367 Ca 0.33 0.28 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 1shn s ALA 367 Cb 0.08 -3.15 0.05 0.00 0.00 0.00 0.00 23.12 20.10 1shn s ALA 367 CO -0.15 -0.23 1.12 -0.51 0.00 0.00 0.00 175.76 176.00 1shn s ASP 368 N -2.77 4.40 0.48 0.00 1.01 -1.26 -4.93 116.67 113.60 1shn s ASP 368 Ca 0.61 2.02 -0.21 0.00 0.71 0.00 0.00 52.55 55.67 1shn s ASP 368 Cb -0.11 -2.55 -0.10 0.00 1.01 0.00 0.00 42.92 41.17 1shn s ASP 368 CO 0.27 -2.11 0.69 0.54 0.21 0.00 0.00 175.17 174.78 1shn n ARG 369 N -3.16 0.77 -0.88 8.23 5.12 -1.26 -1.68 116.66 123.80 1shn n ARG 369 Ca 0.11 0.29 0.00 0.00 -1.93 0.00 0.00 57.85 56.31 1shn n ARG 369 Cb 0.52 -1.75 0.00 0.00 -1.16 0.00 0.00 32.46 30.07 1shn n ARG 369 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1shn n ASN 370 N 0.68 -1.09 -4.77 0.55 3.02 -1.26 -5.00 115.26 107.38 1shn n ASN 370 Ca 0.11 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.29 1shn n ASN 370 Cb 0.42 -0.98 -0.03 0.00 -0.61 0.00 0.00 39.78 38.58 1shn n ASN 370 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1shn s THR 371 N -2.67 3.52 0.14 3.41 2.01 -0.67 -4.94 115.64 116.43 1shn s THR 371 Ca 0.00 1.25 -0.31 0.00 0.31 0.00 0.00 61.69 62.94 1shn s THR 371 Cb 0.00 -3.69 -0.11 0.00 0.01 0.00 0.00 72.50 68.71 1shn s THR 371 CO 0.00 0.09 1.81 -0.67 -0.69 0.00 0.00 174.62 175.16 1shn n ASP 372 N 0.17 4.02 0.32 3.53 -0.08 -1.26 -4.85 116.55 118.41 1shn n ASP 372 Ca 0.04 1.00 0.20 0.00 -1.51 0.00 0.00 54.79 54.52 1shn n ASP 372 Cb 0.48 -1.55 1.06 0.00 2.34 0.00 0.00 41.12 43.45 1shn n ASP 372 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1shn h ILE 373 N 4.48 0.07 -0.38 5.18 6.09 -1.92 -0.90 117.51 130.14 1shn h ILE 373 Ca -0.46 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.03 1shn h ILE 373 Cb 1.22 0.89 0.00 0.00 0.47 0.00 0.00 36.82 39.40 1shn h ILE 373 CO 0.95 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 176.21 1shn n LEU 374 N -3.13 2.87 -4.95 2.19 4.77 -1.26 -4.27 117.00 113.22 1shn n LEU 374 Ca -0.02 -1.28 -0.25 0.00 -0.03 0.00 0.00 56.01 54.42 1shn n LEU 374 Cb 0.19 -0.24 0.09 0.00 -2.33 0.00 0.00 43.42 41.12 1shn n LEU 374 CO 0.19 0.64 0.61 -0.62 -1.33 0.00 0.00 177.39 176.89 1shn s ASP 375 N -1.38 4.53 0.46 -1.43 -1.08 -0.34 -4.89 116.67 112.53 1shn s ASP 375 Ca 0.37 0.21 -0.25 0.00 -0.52 0.00 0.00 52.55 52.37 1shn s ASP 375 Cb 0.21 -0.75 -0.08 0.00 -1.46 0.00 0.00 42.92 40.84 1shn s ASP 375 CO 0.29 -1.76 1.38 -0.36 0.52 0.00 0.00 175.17 175.24 1shn s PHE 376 N -3.26 2.50 -0.08 -5.34 0.08 -1.26 -1.92 117.98 108.70 1shn s PHE 376 Ca 0.63 1.32 0.12 0.00 0.12 0.00 0.00 56.93 59.12 1shn s PHE 376 Cb -0.09 -3.83 -0.24 0.00 -0.57 0.00 0.00 43.02 38.30 1shn s PHE 376 CO 0.45 -2.73 0.52 0.00 -0.10 0.00 0.00 175.22 173.36 1shn n ALA 377 N -0.31 1.45 0.00 5.36 0.00 0.03 -4.48 120.51 122.57 1shn n ALA 377 Ca 0.06 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1shn n ALA 377 Cb 0.43 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1shn n ALA 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1shn n GLY 378 N 1.63 -0.74 3.21 0.00 0.00 -1.18 -3.96 105.19 104.15 1shn n GLY 378 Ca -0.21 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.50 1shn n GLY 378 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1shn s ILE 379 N -3.00 2.02 0.37 -0.61 1.01 -1.26 -1.44 121.20 118.29 1shn s ILE 379 Ca 0.00 -1.00 -0.28 0.00 0.00 0.00 0.00 60.65 59.37 1shn s ILE 379 Cb 0.00 -1.75 -0.10 0.00 0.01 0.00 0.00 42.46 40.62 1shn s ILE 379 CO 0.00 0.55 1.42 -0.55 0.00 0.00 0.00 174.94 176.36 1shn s SER 380 N 0.33 6.43 0.00 3.58 0.15 -0.24 -4.89 113.70 119.06 1shn s SER 380 Ca -0.18 2.92 0.21 0.00 0.70 0.00 0.00 55.95 59.59 1shn s SER 380 Cb -0.18 -2.66 0.66 0.00 -1.71 0.00 0.00 66.02 62.13 1shn s SER 380 CO 0.09 -0.80 1.50 -0.90 1.20 0.00 0.00 173.24 174.33 1shn n ASP 381 N 0.49 2.00 -0.13 5.45 5.75 -1.26 -1.24 116.55 127.61 1shn n ASP 381 Ca 0.01 -1.78 -0.21 0.00 -0.01 0.00 0.00 54.79 52.81 1shn n ASP 381 Cb 0.40 -0.14 -0.11 0.00 -1.03 0.00 0.00 41.12 40.24 1shn n ASP 381 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1shn n LEU 382 N 0.55 2.69 0.00 -2.12 4.77 -1.26 -4.74 117.00 116.89 1shn n LEU 382 Ca 0.16 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1shn n LEU 382 Cb 0.38 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1shn n LEU 382 CO 0.13 0.83 0.41 -0.90 -1.33 0.00 0.00 177.39 176.53 1shn n ASP 383 N -3.50 1.58 -1.63 -1.43 5.68 -1.25 -5.00 116.55 111.00 1shn n ASP 383 Ca -0.47 -1.64 -0.20 0.00 -0.50 0.00 0.00 54.79 51.97 1shn n ASP 383 Cb 0.95 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.85 1shn n ASP 383 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1shn n ASP 384 N -0.32 -5.46 -4.65 -1.12 2.03 -0.37 -4.98 116.55 101.68 1shn n ASP 384 Ca 0.00 0.43 -0.30 0.00 0.52 0.00 0.00 54.79 55.45 1shn n ASP 384 Cb 0.19 -4.70 -0.09 0.00 -0.72 0.00 0.00 41.12 35.80 1shn n ASP 384 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1shn s ARG 385 N -3.86 2.39 0.82 -0.67 0.52 -1.26 -4.77 118.95 112.13 1shn s ARG 385 Ca 0.00 -0.92 -0.14 0.00 -0.52 0.00 0.00 55.73 54.15 1shn s ARG 385 Cb 0.00 -2.45 0.05 0.00 0.52 0.00 0.00 34.95 33.07 1shn s ARG 385 CO 0.00 0.52 0.86 0.54 0.02 0.00 0.00 175.30 177.24 1shn n ARG 386 N 0.56 0.07 -3.82 3.54 1.74 -1.26 -1.08 116.66 116.41 1shn n ARG 386 Ca -0.12 0.09 -0.12 0.00 -0.77 0.00 0.00 57.85 56.93 1shn n ARG 386 Cb 0.52 -2.16 -0.10 0.00 -1.02 0.00 0.00 32.46 29.71 1shn n ARG 386 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1shn s TYR 387 N -2.16 -0.08 0.42 -1.55 1.13 -0.52 -4.61 117.35 109.97 1shn s TYR 387 Ca 0.67 0.13 -0.11 0.00 -1.41 0.00 0.00 57.07 56.36 1shn s TYR 387 Cb -0.28 0.02 -0.06 0.00 -1.10 0.00 0.00 41.96 40.53 1shn s TYR 387 CO 0.57 -0.29 0.79 0.95 -2.51 0.00 0.00 175.55 175.06 1shn s THR 388 N -1.08 4.77 0.14 -3.49 -4.23 -1.26 -0.79 115.64 109.69 1shn s THR 388 Ca -0.12 0.66 -0.22 0.00 -1.18 0.00 0.00 61.69 60.83 1shn s THR 388 Cb -0.06 -3.74 0.01 0.00 1.34 0.00 0.00 72.50 70.05 1shn s THR 388 CO 0.02 -0.55 1.65 0.40 -0.54 0.00 0.00 174.62 175.60 1shn h ILE 389 N 1.03 0.51 -3.18 2.99 2.04 -1.61 -3.40 117.51 115.90 1shn h ILE 389 Ca -0.47 0.00 -0.59 0.00 1.00 0.00 0.00 64.86 64.80 1shn h ILE 389 Cb 1.19 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 37.72 1shn h ILE 389 CO 0.63 0.00 -0.14 -0.76 0.00 0.00 0.00 178.15 177.88 1shn s LEU 390 N -10.46 4.42 0.38 1.44 1.43 -1.26 -0.27 118.68 114.35 1shn s LEU 390 Ca -0.14 0.97 -0.12 0.00 -1.03 0.00 0.00 54.13 53.81 1shn s LEU 390 Cb 0.11 -2.69 0.04 0.00 0.03 0.00 0.00 46.19 43.68 1shn s LEU 390 CO 0.68 0.20 0.71 1.51 0.23 0.00 0.00 176.35 179.67 1shn s ASP 391 N -0.47 0.29 0.05 2.29 1.47 -1.06 -4.71 116.67 114.54 1shn s ASP 391 Ca 0.26 -1.27 0.08 0.00 1.18 0.00 0.00 52.55 52.80 1shn s ASP 391 Cb -0.17 0.81 -0.03 0.00 -0.34 0.00 0.00 42.92 43.19 1shn s ASP 391 CO 0.13 -1.60 -0.23 -0.31 0.68 0.00 0.00 175.17 173.85 1shn s TYR 392 N -2.44 1.97 -0.12 2.11 2.02 0.02 -0.08 117.35 120.84 1shn s TYR 392 Ca 0.20 -0.39 0.27 0.00 -0.37 0.00 0.00 57.07 56.78 1shn s TYR 392 Cb -0.04 -1.16 0.81 0.00 -0.40 0.00 0.00 41.96 41.16 1shn s TYR 392 CO 0.14 0.12 1.78 0.78 -1.57 0.00 0.00 175.55 176.80 1shn h GLY 393 N 4.74 0.00 -5.08 0.71 0.00 -1.16 -0.24 103.07 102.03 1shn h GLY 393 Ca -0.44 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.73 1shn h GLY 393 CO 0.43 0.00 -0.45 -0.45 0.00 0.00 0.00 176.54 176.07 1shn s SER 394 N -6.02 -0.14 0.00 0.19 0.15 -1.26 -2.42 113.70 104.19 1shn s SER 394 Ca 0.04 0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1shn s SER 394 Cb 0.08 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1shn s SER 394 CO 0.62 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.46 1shn n GLY 395 N 2.28 1.02 0.00 9.45 0.00 -0.96 -4.61 105.19 112.37 1shn n GLY 395 Ca -0.17 -1.96 0.14 0.00 0.00 0.00 0.00 46.02 44.03 1shn n GLY 395 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1shn n PRO 396 N -1.81 0.72 0.28 1.61 -0.04 -0.15 -2.31 135.00 133.29 1shn n PRO 396 Ca 0.00 0.01 0.16 0.00 -0.04 0.00 0.00 63.50 63.63 1shn n PRO 396 Cb 0.00 -1.50 0.78 0.00 -0.04 0.00 0.00 33.50 32.74 1shn n PRO 396 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1shn h GLY 397 N 4.38 0.00 -5.02 0.55 0.00 -1.83 -3.44 103.07 97.72 1shn h GLY 397 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1shn h GLY 397 CO 0.00 0.00 1.04 2.98 0.00 0.00 0.00 176.54 180.56 1shn n TYR 398 N -3.34 2.56 -3.43 5.60 9.36 -1.23 -4.11 117.16 122.57 1shn n TYR 398 Ca -0.01 -0.03 -0.15 0.00 3.32 0.00 0.00 57.90 61.03 1shn n TYR 398 Cb 0.25 -2.68 -0.11 0.00 -0.63 0.00 0.00 39.34 36.17 1shn n TYR 398 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1shn s HIS 399 N 2.25 -0.49 -0.20 2.98 2.46 -1.26 -4.94 115.29 116.09 1shn s HIS 399 Ca 0.81 0.43 -0.16 0.00 0.47 0.00 0.00 55.06 56.60 1shn s HIS 399 Cb -0.54 -0.23 -0.04 0.00 -0.13 0.00 0.00 32.58 31.65 1shn s HIS 399 CO 0.38 -0.67 0.42 0.42 -2.47 0.00 0.00 174.74 172.82 1shn s ILE 400 N 2.41 5.18 1.00 0.89 1.01 -1.26 -0.65 121.20 129.78 1shn s ILE 400 Ca 0.09 0.76 -0.13 0.00 0.00 0.00 0.00 60.65 61.37 1shn s ILE 400 Cb -0.16 -3.75 0.19 0.00 0.01 0.00 0.00 42.46 38.75 1shn s ILE 400 CO -0.15 0.24 1.10 0.42 0.00 0.00 0.00 174.94 176.56 1shn s THR 401 N 1.33 1.99 0.31 2.92 -4.23 0.11 -4.87 115.64 113.20 1shn s THR 401 Ca 0.20 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.71 1shn s THR 401 Cb -0.15 -2.55 0.26 0.00 1.34 0.00 0.00 72.50 71.41 1shn s THR 401 CO 0.08 0.00 1.97 -0.08 -0.54 0.00 0.00 174.62 176.06 1shn h GLU 402 N -1.87 1.01 -0.85 3.99 4.81 -1.98 0.12 114.58 119.82 1shn h GLU 402 Ca -0.54 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.63 1shn h GLU 402 Cb 1.33 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 1shn h GLU 402 CO 0.58 0.67 0.00 -0.40 -0.73 0.00 0.00 179.01 179.13 1shn n ASP 403 N -4.42 2.75 -0.94 1.04 5.75 -1.26 -4.90 116.55 114.57 1shn n ASP 403 Ca 0.09 -2.35 -0.06 0.00 -0.01 0.00 0.00 54.79 52.46 1shn n ASP 403 Cb 0.05 -0.57 0.01 0.00 -1.03 0.00 0.00 41.12 39.58 1shn n ASP 403 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1shn n GLY 404 N 0.23 0.31 3.55 6.12 0.00 0.03 -5.07 105.19 110.36 1shn n GLY 404 Ca 0.10 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 1shn n GLY 404 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shn s LYS 405 N -4.74 1.82 0.11 1.61 -0.14 -1.26 -4.86 119.74 112.29 1shn s LYS 405 Ca 0.07 -2.00 -0.31 0.00 -1.36 0.00 0.00 55.97 52.37 1shn s LYS 405 Cb -0.03 -1.44 -0.08 0.00 -1.68 0.00 0.00 37.83 34.61 1shn s LYS 405 CO 0.08 -0.03 1.37 0.50 -0.76 0.00 0.00 175.35 176.51 1shn s ARG 406 N -3.73 4.33 0.19 1.68 3.52 -1.26 0.07 118.95 123.74 1shn s ARG 406 Ca 0.34 2.05 -0.32 0.00 -0.13 0.00 0.00 55.73 57.67 1shn s ARG 406 Cb 0.08 -3.26 -0.12 0.00 -1.56 0.00 0.00 34.95 30.09 1shn s ARG 406 CO 0.17 -0.42 1.75 0.98 -0.81 0.00 0.00 175.30 176.96 1shn n TYR 407 N 3.96 2.72 -3.40 5.12 9.36 0.17 -4.81 117.16 130.30 1shn n TYR 407 Ca 0.11 -0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.91 1shn n TYR 407 Cb 0.43 -2.69 -0.09 0.00 -0.63 0.00 0.00 39.34 36.36 1shn n TYR 407 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1shn s GLU 408 N 1.50 3.26 0.51 2.98 2.12 -1.26 -5.00 118.70 122.80 1shn s GLU 408 Ca 0.77 -0.69 -0.22 0.00 0.36 0.00 0.00 54.97 55.18 1shn s GLU 408 Cb -0.50 -3.90 -0.06 0.00 0.26 0.00 0.00 34.13 29.93 1shn s GLU 408 CO 0.33 -0.68 1.25 -1.25 -0.54 0.00 0.00 175.26 174.37 1shn s PRO 409 N 1.96 3.43 0.42 4.30 0.04 -1.26 -5.02 135.00 138.87 1shn s PRO 409 Ca 0.10 1.98 0.07 0.00 0.04 0.00 0.00 61.00 63.19 1shn s PRO 409 Cb -0.17 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 1shn s PRO 409 CO 0.12 -0.88 0.26 0.95 0.04 0.00 0.00 177.00 177.49 1shn s THR 410 N -1.45 2.41 0.23 1.26 -4.23 -1.26 -4.88 115.64 107.72 1shn s THR 410 Ca 0.68 -1.56 -0.07 0.00 -1.18 0.00 0.00 61.69 59.57 1shn s THR 410 Cb -0.34 -2.97 0.20 0.00 1.34 0.00 0.00 72.50 70.73 1shn s THR 410 CO 0.40 0.00 1.85 -0.33 -0.54 0.00 0.00 174.62 176.00 1shn h GLU 411 N 1.25 0.93 -0.40 3.99 5.08 -2.00 -1.88 114.58 121.54 1shn h GLU 411 Ca -0.42 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1shn h GLU 411 Cb 1.26 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1shn h GLU 411 CO 0.65 0.61 0.24 1.49 -1.00 0.00 0.00 179.01 181.00 1shn h GLU 412 N 0.95 0.54 -0.54 2.33 4.81 -2.00 -2.67 114.58 118.02 1shn h GLU 412 Ca 0.35 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.63 1shn h GLU 412 Cb 0.12 -0.11 -0.09 0.00 0.63 0.00 0.00 28.75 29.30 1shn h GLU 412 CO -0.15 0.41 0.02 -0.44 -0.73 0.00 0.00 179.01 178.11 1shn h ASP 413 N 0.52 -0.19 -0.34 1.04 3.32 -1.76 -1.95 116.42 117.07 1shn h ASP 413 Ca 0.14 0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.35 1shn h ASP 413 Cb 0.00 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1shn h ASP 413 CO -0.03 -0.07 0.23 -0.07 -1.72 0.00 0.00 179.24 177.59 1shn h LEU 414 N 0.14 0.30 0.00 1.55 3.38 -1.03 -0.35 115.31 119.30 1shn h LEU 414 Ca 0.27 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1shn h LEU 414 Cb 0.42 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1shn h LEU 414 CO -0.43 0.20 -0.51 0.11 0.09 0.00 0.00 178.44 177.90 1shn h LYS 415 N 0.34 0.00 -6.35 1.13 1.57 -1.26 -3.45 116.57 108.55 1shn h LYS 415 Ca 0.14 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.35 1shn h LYS 415 Cb 0.14 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 1shn h LYS 415 CO -0.03 0.00 1.10 0.34 -0.57 0.00 0.00 179.45 180.29 1shn s ASP 416 N -4.74 6.37 0.11 0.86 -1.08 -0.14 -4.85 116.67 113.20 1shn s ASP 416 Ca 0.06 1.30 0.07 0.00 -0.52 0.00 0.00 52.55 53.46 1shn s ASP 416 Cb 0.11 -2.53 0.38 0.00 -1.46 0.00 0.00 42.92 39.42 1shn s ASP 416 CO 0.71 -1.32 1.19 2.30 0.52 0.00 0.00 175.17 178.57 1shn n ILE 417 N 6.65 1.60 -0.32 4.11 -5.35 -1.26 -1.05 119.36 123.74 1shn n ILE 417 Ca 0.18 0.58 0.07 0.00 -0.27 0.00 0.00 62.75 63.30 1shn n ILE 417 Cb 0.46 -1.58 0.19 0.00 -1.74 0.00 0.00 39.64 36.97 1shn n ILE 417 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1shn n ASN 418 N -1.73 3.21 -4.75 7.28 5.03 -1.26 -4.58 115.26 118.46 1shn n ASN 418 Ca -0.00 -2.16 -0.41 0.00 0.87 0.00 0.00 54.58 52.88 1shn n ASN 418 Cb 0.04 -0.31 -0.04 0.00 -1.02 0.00 0.00 39.78 38.45 1shn n ASN 418 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1shn s PHE 419 N -1.29 3.57 -0.34 3.10 5.36 -0.22 -4.95 117.98 123.22 1shn s PHE 419 Ca 0.29 1.65 -0.10 0.00 -0.96 0.00 0.00 56.93 57.81 1shn s PHE 419 Cb 0.17 -3.29 0.01 0.00 -0.34 0.00 0.00 43.02 39.56 1shn s PHE 419 CO 0.16 -0.62 0.18 1.03 -1.46 0.00 0.00 175.22 174.52 1shn s ARG 420 N -1.09 3.16 0.57 10.12 0.52 -1.26 -4.38 118.95 126.59 1shn s ARG 420 Ca 0.46 -0.85 -0.19 0.00 -0.52 0.00 0.00 55.73 54.63 1shn s ARG 420 Cb -0.31 -3.64 -0.05 0.00 0.52 0.00 0.00 34.95 31.47 1shn s ARG 420 CO 0.39 -0.52 1.17 0.71 0.02 0.00 0.00 175.30 177.07 1shn s TYR 421 N 1.60 2.53 0.35 -0.53 1.51 -0.72 -4.65 117.35 117.43 1shn s TYR 421 Ca 0.04 1.53 -0.28 0.00 -1.01 0.00 0.00 57.07 57.35 1shn s TYR 421 Cb -0.18 -3.38 -0.12 0.00 -0.11 0.00 0.00 41.96 38.17 1shn s TYR 421 CO 0.07 -1.90 1.33 0.00 -1.11 0.00 0.00 175.55 173.93 1shn n ALA 422 N -1.47 1.49 -2.58 3.71 0.00 -1.26 -3.87 120.51 116.54 1shn n ALA 422 Ca 0.13 0.36 -0.27 0.00 0.00 0.00 0.00 53.44 53.65 1shn n ALA 422 Cb 0.50 -2.28 -0.10 0.00 0.00 0.00 0.00 19.45 17.57 1shn n ALA 422 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1shn s SER 423 N -0.27 4.01 0.11 0.00 1.04 -1.26 -0.80 113.70 116.53 1shn s SER 423 Ca 0.55 -1.30 0.22 0.00 0.48 0.00 0.00 55.95 55.90 1shn s SER 423 Cb -0.55 -0.42 -0.13 0.00 0.10 0.00 0.00 66.02 65.02 1shn s SER 423 CO 0.62 -0.47 0.82 0.00 0.98 0.00 0.00 173.24 175.19 1shn n ALA 424 N -1.03 2.67 -3.55 5.32 0.00 -0.10 -4.19 120.51 119.62 1shn n ALA 424 Ca -0.04 -0.35 -0.25 0.00 0.00 0.00 0.00 53.44 52.80 1shn n ALA 424 Cb 0.66 -0.96 -0.15 0.00 0.00 0.00 0.00 19.45 19.00 1shn n ALA 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1shn s ALA 425 N -3.42 0.30 0.21 0.00 0.00 -1.02 -4.99 121.76 112.85 1shn s ALA 425 Ca -0.03 -0.46 -0.31 0.00 0.00 0.00 0.00 51.96 51.16 1shn s ALA 425 Cb 0.11 -1.25 -0.10 0.00 0.00 0.00 0.00 23.12 21.89 1shn s ALA 425 CO 0.84 -1.37 1.47 -1.25 0.00 0.00 0.00 175.76 175.45 1shn s PRO 426 N 2.17 4.26 -0.09 0.00 0.04 -1.26 -2.28 135.00 137.85 1shn s PRO 426 Ca 0.06 2.30 -0.17 0.00 0.04 0.00 0.00 61.00 63.22 1shn s PRO 426 Cb -0.16 -3.14 0.04 0.00 0.04 0.00 0.00 34.50 31.28 1shn s PRO 426 CO -0.20 -0.48 0.42 0.21 0.04 0.00 0.00 177.00 177.00 1shn s LYS 427 N 0.22 0.66 0.28 4.56 2.20 -0.98 -4.83 119.74 121.86 1shn s LYS 427 Ca 0.63 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 56.47 1shn s LYS 427 Cb -0.42 0.31 0.50 0.00 -1.51 0.00 0.00 37.83 36.71 1shn s LYS 427 CO 0.38 -0.15 1.87 1.25 -0.36 0.00 0.00 175.35 178.34 1shn h HIS 428 N 4.43 1.14 -3.36 4.03 -0.00 -1.94 -0.38 115.15 119.06 1shn h HIS 428 Ca -0.28 0.03 -0.53 0.00 -0.00 0.00 0.00 60.37 59.59 1shn h HIS 428 Cb 1.17 -0.37 -0.34 0.00 -0.00 0.00 0.00 27.41 27.87 1shn h HIS 428 CO 0.45 0.54 -0.82 0.45 -0.00 0.00 0.00 177.93 178.55 1shn s SER 429 N -5.84 1.93 0.47 3.26 0.15 -1.26 -4.43 113.70 107.98 1shn s SER 429 Ca -0.12 -0.32 -0.24 0.00 0.70 0.00 0.00 55.95 55.97 1shn s SER 429 Cb 0.21 -0.86 -0.08 0.00 -1.71 0.00 0.00 66.02 63.58 1shn s SER 429 CO 0.81 0.00 1.31 0.55 1.20 0.00 0.00 173.24 177.12 1shn n VAL 430 N 4.06 2.96 -1.78 4.45 3.14 -0.16 -4.78 118.33 126.23 1shn n VAL 430 Ca -0.21 -0.50 -0.31 0.00 -2.96 0.00 0.00 64.34 60.36 1shn n VAL 430 Cb 0.51 -1.64 0.02 0.00 -1.06 0.00 0.00 33.84 31.68 1shn n VAL 430 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1shn s THR 431 N -1.23 4.42 1.37 1.55 -4.23 -1.26 -4.74 115.64 111.52 1shn s THR 431 Ca 0.64 0.79 -0.23 0.00 -1.18 0.00 0.00 61.69 61.71 1shn s THR 431 Cb -0.47 -3.70 0.35 0.00 1.34 0.00 0.00 72.50 70.02 1shn s THR 431 CO 0.55 -1.03 1.00 -1.00 -0.54 0.00 0.00 174.62 173.60 1shn s HIS 432 N -3.15 -0.51 -0.02 3.99 3.76 -1.26 -4.38 115.29 113.71 1shn s HIS 432 Ca 0.56 0.45 0.06 0.00 -0.15 0.00 0.00 55.06 55.98 1shn s HIS 432 Cb -0.12 -3.13 -0.01 0.00 1.11 0.00 0.00 32.58 30.43 1shn s HIS 432 CO 0.54 -4.73 -0.19 0.34 -0.85 0.00 0.00 174.74 169.85 1shn s ASP 433 N -3.55 2.28 0.00 1.40 -1.08 -0.69 -4.67 116.67 110.36 1shn s ASP 433 Ca 0.70 -0.36 0.27 0.00 -0.52 0.00 0.00 52.55 52.65 1shn s ASP 433 Cb -0.10 -0.34 0.96 0.00 -1.46 0.00 0.00 42.92 41.98 1shn s ASP 433 CO 0.56 0.22 1.69 0.61 0.52 0.00 0.00 175.17 178.78 1shn n GLY 434 N 2.72 -0.52 3.76 2.66 0.00 -1.26 -2.91 105.19 109.64 1shn n GLY 434 Ca -0.16 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 1shn n GLY 434 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1shn s THR 435 N -2.35 2.20 0.48 2.61 2.01 -1.26 -4.72 115.64 114.61 1shn s THR 435 Ca 0.30 0.16 -0.21 0.00 0.31 0.00 0.00 61.69 62.25 1shn s THR 435 Cb 0.20 -3.09 -0.10 0.00 0.01 0.00 0.00 72.50 69.52 1shn s THR 435 CO 0.46 0.01 0.67 0.47 -0.69 0.00 0.00 174.62 175.53 1shn n ASP 436 N -0.60 -0.36 -4.67 3.53 8.00 -1.26 -4.50 116.55 116.69 1shn n ASP 436 Ca 0.08 0.87 -0.26 0.00 0.71 0.00 0.00 54.79 56.18 1shn n ASP 436 Cb 0.44 -1.20 -0.09 0.00 -0.02 0.00 0.00 41.12 40.24 1shn n ASP 436 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1shn s VAL 437 N -1.51 2.15 0.39 2.53 -7.23 -0.77 -4.74 120.40 111.22 1shn s VAL 437 Ca 0.66 -1.87 -0.06 0.00 -1.81 0.00 0.00 61.98 58.89 1shn s VAL 437 Cb -0.53 -2.99 -0.05 0.00 0.56 0.00 0.00 36.38 33.37 1shn s VAL 437 CO 0.56 -0.01 0.69 -0.83 -0.31 0.00 0.00 175.10 175.20 1shn s GLY 438 N -3.79 1.73 -0.01 2.32 0.00 -1.26 -0.54 107.32 105.76 1shn s GLY 438 Ca 0.38 -0.46 0.04 0.00 0.00 0.00 0.00 44.72 44.68 1shn s GLY 438 CO 0.20 -0.31 -0.13 -0.42 0.00 0.00 0.00 173.10 172.44 1shn s ILE 439 N -2.40 1.02 -0.02 0.90 1.01 0.78 -3.63 121.20 118.87 1shn s ILE 439 Ca 0.47 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.59 1shn s ILE 439 Cb -0.10 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.52 1shn s ILE 439 CO 0.35 0.29 -0.03 0.26 0.00 0.00 0.00 174.94 175.82 1shn s TRP 440 N -0.21 0.45 0.02 3.97 0.51 -0.16 0.05 118.94 123.58 1shn s TRP 440 Ca 0.03 -0.08 0.01 0.00 -2.12 0.00 0.00 56.10 53.95 1shn s TRP 440 Cb -0.06 -0.42 -0.01 0.00 -0.81 0.00 0.00 33.47 32.17 1shn s TRP 440 CO -0.00 -0.10 -0.05 0.08 -0.51 0.00 0.00 176.95 176.37 1shn s VAL 441 N 0.58 0.31 0.01 4.03 1.01 -0.58 -0.19 120.40 125.57 1shn s VAL 441 Ca -0.06 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1shn s VAL 441 Cb -0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 1shn s VAL 441 CO -0.01 -0.24 -0.00 0.21 0.00 0.00 0.00 175.10 175.06 1shn s ASN 442 N -0.96 0.13 0.00 3.32 3.04 0.29 -3.76 114.94 117.01 1shn s ASN 442 Ca -0.07 -0.29 0.00 0.00 0.04 0.00 0.00 52.86 52.54 1shn s ASN 442 Cb -0.07 0.08 0.00 0.00 -1.54 0.00 0.00 41.25 39.72 1shn s ASN 442 CO -0.00 -0.19 0.00 0.61 -3.04 0.00 0.00 177.10 174.48 1shn n GLY 443 N 2.15 -1.17 3.64 1.21 0.00 -1.26 -0.27 105.19 109.49 1shn n GLY 443 Ca -0.19 -2.11 -0.49 0.00 0.00 0.00 0.00 46.02 43.24 1shn n GLY 443 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1shn n PRO 444 N 0.00 1.78 -2.33 1.61 -0.02 -1.25 -1.32 135.00 133.46 1shn n PRO 444 Ca 0.00 0.64 -0.19 0.00 -2.02 0.00 0.00 63.50 61.93 1shn n PRO 444 Cb 0.00 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.10 1shn n PRO 444 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1shn n PHE 445 N 3.33 -0.99 0.26 6.00 3.72 -0.02 -4.82 117.46 124.93 1shn n PHE 445 Ca 0.18 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.68 1shn n PHE 445 Cb 0.25 -3.73 0.67 0.00 -0.94 0.00 0.00 39.48 35.73 1shn n PHE 445 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1shn h ALA 446 N 0.93 1.64 0.00 4.37 0.00 -1.47 -0.10 119.26 124.63 1shn h ALA 446 Ca -0.46 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1shn h ALA 446 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1shn h ALA 446 CO 0.55 0.11 0.00 -2.39 0.00 0.00 0.00 179.25 177.52 1shn n HIS 447 N -4.12 0.00 1.04 0.00 -0.00 -1.26 -1.64 115.22 109.23 1shn n HIS 447 Ca -0.03 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.81 1shn n HIS 447 Cb 0.17 0.00 0.58 0.00 -0.00 0.00 0.00 29.99 30.75 1shn n HIS 447 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1shn n LEU 448 N -0.69 0.00 -4.00 2.39 4.77 -0.05 -4.36 117.00 115.07 1shn n LEU 448 Ca 0.06 0.37 -0.32 0.00 -0.03 0.00 0.00 56.01 56.09 1shn n LEU 448 Cb 0.03 -0.37 -0.11 0.00 -2.33 0.00 0.00 43.42 40.63 1shn n LEU 448 CO 0.04 -0.06 0.02 -0.36 -1.33 0.00 0.00 177.39 175.70 1shn s PHE 449 N -2.75 3.50 -0.01 -1.77 0.08 -0.65 -4.88 117.98 111.50 1shn s PHE 449 Ca 0.19 -3.11 0.00 0.00 0.12 0.00 0.00 56.93 54.13 1shn s PHE 449 Cb 0.16 -2.95 -0.01 0.00 -0.57 0.00 0.00 43.02 39.66 1shn s PHE 449 CO 0.41 -0.70 -0.00 0.25 -0.10 0.00 0.00 175.22 175.08 1shn n THR 450 N 2.65 0.05 0.00 0.64 -2.24 -1.26 -4.06 114.28 110.06 1shn n THR 450 Ca 0.14 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1shn n THR 450 Cb 0.35 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 1shn n THR 450 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1shn n GLY 451 N 3.08 1.65 3.17 3.38 0.00 -1.26 -4.76 105.19 110.45 1shn n GLY 451 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1shn n GLY 451 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1shn s VAL 452 N 3.35 1.88 0.07 1.61 1.01 -1.26 -1.75 120.40 125.31 1shn s VAL 452 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1shn s VAL 452 Cb 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 1shn s VAL 452 CO 0.00 0.52 -0.08 -0.31 0.00 0.00 0.00 175.10 175.23 1shn s TYR 453 N 0.53 0.82 0.52 5.22 2.02 -0.39 -4.99 117.35 121.09 1shn s TYR 453 Ca -0.15 -0.68 -0.22 0.00 -0.37 0.00 0.00 57.07 55.65 1shn s TYR 453 Cb -0.17 -0.48 -0.06 0.00 -0.40 0.00 0.00 41.96 40.86 1shn s TYR 453 CO 0.05 -0.10 1.27 -1.21 -1.57 0.00 0.00 175.55 174.00 1shn s GLU 454 N -2.64 3.34 0.51 -0.62 0.41 -1.26 -0.71 118.70 117.73 1shn s GLU 454 Ca 0.01 2.02 0.19 0.00 -0.41 0.00 0.00 54.97 56.78 1shn s GLU 454 Cb -0.03 -2.27 1.28 0.00 -1.78 0.00 0.00 34.13 31.33 1shn s GLU 454 CO -0.02 -0.97 2.06 1.49 -0.49 0.00 0.00 175.26 177.34 1shn h GLU 455 N 1.60 0.07 0.00 1.61 4.81 -1.47 -2.00 114.58 119.20 1shn h GLU 455 Ca -0.50 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1shn h GLU 455 Cb 1.28 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1shn h GLU 455 CO 0.58 0.05 0.00 0.27 -0.73 0.00 0.00 179.01 179.18 1shn n ASN 456 N -4.46 0.43 -0.19 1.04 6.94 -1.26 -2.96 115.26 114.81 1shn n ASN 456 Ca 0.04 0.55 0.10 0.00 -0.02 0.00 0.00 54.58 55.25 1shn n ASN 456 Cb 0.34 -0.66 0.40 0.00 -2.36 0.00 0.00 39.78 37.50 1shn n ASN 456 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 1shn h TYR 457 N 0.00 0.69 -0.36 -2.53 3.20 -1.64 -3.35 116.97 112.98 1shn h TYR 457 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1shn h TYR 457 Cb 0.57 -0.22 -0.07 0.00 1.54 0.00 0.00 36.73 38.55 1shn h TYR 457 CO 0.00 0.31 -0.46 0.82 -1.64 0.00 0.00 178.16 177.19 1shn h ILE 458 N 0.63 0.00 0.00 1.81 2.04 -1.71 -1.08 117.51 119.20 1shn h ILE 458 Ca 0.35 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.20 1shn h ILE 458 Cb 0.52 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1shn h ILE 458 CO -0.13 0.00 -0.04 1.55 0.00 0.00 0.00 178.15 179.53 1shn h PRO 459 N -0.31 0.00 -0.35 2.37 0.13 -1.70 -1.45 132.00 130.69 1shn h PRO 459 Ca 0.06 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.03 1shn h PRO 459 Cb 0.48 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1shn h PRO 459 CO -0.50 0.04 -0.42 0.45 -0.23 0.00 0.00 178.00 177.34 1shn h HIS 460 N 0.00 1.08 -0.27 1.56 3.86 -1.39 -0.43 115.15 119.56 1shn h HIS 460 Ca -0.00 -0.33 -0.07 0.00 -1.16 0.00 0.00 60.37 58.80 1shn h HIS 460 Cb 0.43 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1shn h HIS 460 CO 0.00 1.15 -0.12 0.00 0.86 0.00 0.00 177.93 179.83 1shn h ALA 461 N 0.79 0.37 -0.88 2.45 0.00 -0.86 -2.19 119.26 118.96 1shn h ALA 461 Ca 0.05 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1shn h ALA 461 Cb 1.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1shn h ALA 461 CO 0.10 0.24 0.58 -0.07 0.00 0.00 0.00 179.25 180.09 1shn h LEU 462 N 0.29 0.99 -0.84 0.00 3.38 -1.22 -1.51 115.31 116.41 1shn h LEU 462 Ca 0.06 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1shn h LEU 462 Cb 0.62 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1shn h LEU 462 CO 0.04 0.71 0.05 0.00 0.09 0.00 0.00 178.44 179.33 1shn h ALA 463 N 1.33 1.04 -0.64 1.53 0.00 -0.97 0.37 119.26 121.92 1shn h ALA 463 Ca 0.33 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1shn h ALA 463 Cb -0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1shn h ALA 463 CO -0.08 0.61 0.33 -0.92 0.00 0.00 0.00 179.25 179.19 1shn h TYR 464 N 0.86 0.89 -0.18 0.00 5.03 -0.85 0.36 116.97 123.09 1shn h TYR 464 Ca 0.17 -0.03 -0.18 0.00 2.58 0.00 0.00 58.73 61.27 1shn h TYR 464 Cb 0.44 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 38.43 1shn h TYR 464 CO 0.03 0.65 -0.61 0.00 -1.32 0.00 0.00 178.16 176.91 1shn h ALA 465 N 1.15 0.61 -0.00 1.82 0.00 -0.76 -1.46 119.26 120.63 1shn h ALA 465 Ca 0.22 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1shn h ALA 465 Cb 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1shn h ALA 465 CO -0.03 0.70 -0.18 0.00 0.00 0.00 0.00 179.25 179.74 1shn n ALA 466 N -2.53 2.78 -3.36 0.00 0.00 0.07 -0.04 120.51 117.43 1shn n ALA 466 Ca -0.04 -0.20 -0.16 0.00 0.00 0.00 0.00 53.44 53.04 1shn n ALA 466 Cb 0.64 -1.34 0.08 0.00 0.00 0.00 0.00 19.45 18.83 1shn n ALA 466 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1shn s VAL 468 N -3.38 0.98 0.00 0.00 -7.23 -0.68 -5.01 120.40 105.08 1shn s VAL 468 Ca 0.21 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 1shn s VAL 468 Cb -0.03 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1shn s VAL 468 CO 0.74 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.14 1shn n GLY 469 N -0.62 -2.35 0.93 2.32 0.00 -1.26 -4.56 105.19 99.66 1shn n GLY 469 Ca -0.02 -1.56 0.08 0.00 0.00 0.00 0.00 46.02 44.52 1shn n GLY 469 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1shn n THR 470 N -0.83 1.73 -1.99 2.61 -2.24 -1.26 -4.98 114.28 107.33 1shn n THR 470 Ca 0.00 -1.42 0.00 0.00 -2.27 0.00 0.00 64.05 60.36 1shn n THR 470 Cb 0.00 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1shn n THR 470 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1shn n GLY 471 N 0.18 1.01 3.77 3.38 0.00 -1.26 -5.04 105.19 107.22 1shn n GLY 471 Ca 0.18 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 1shn n GLY 471 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1shn s ARG 472 N -0.64 4.38 0.01 1.61 3.52 -1.26 -5.02 118.95 121.55 1shn s ARG 472 Ca 0.00 1.92 0.01 0.00 -0.13 0.00 0.00 55.73 57.54 1shn s ARG 472 Cb 0.00 -2.99 -0.01 0.00 -1.56 0.00 0.00 34.95 30.39 1shn s ARG 472 CO 0.00 -0.06 -0.04 0.99 -0.81 0.00 0.00 175.30 175.37 1shn s THR 473 N -1.24 0.32 0.40 4.11 2.01 -1.26 -4.12 115.64 115.85 1shn s THR 473 Ca 0.50 -0.44 0.11 0.00 0.31 0.00 0.00 61.69 62.16 1shn s THR 473 Cb -0.33 -0.32 0.32 0.00 0.01 0.00 0.00 72.50 72.17 1shn s THR 473 CO 0.43 -0.09 1.95 0.15 -0.69 0.00 0.00 174.62 176.38 1shn h PHE 474 N 5.56 0.61 0.00 4.92 3.57 -1.57 -0.63 116.94 129.41 1shn h PHE 474 Ca -0.29 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.22 1shn h PHE 474 Cb 1.20 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1shn h PHE 474 CO 0.49 0.29 -0.02 0.00 -2.23 0.00 0.00 178.31 176.84