#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3n n PRO 3 N 0.00 2.21 -2.46 0.11 -0.04 -1.26 -4.69 135.00 128.86 2q3n n PRO 3 Ca 0.00 -3.10 -0.39 0.00 -0.04 0.00 0.00 63.50 59.97 2q3n n PRO 3 Cb 0.00 -1.92 -0.03 0.00 -0.04 0.00 0.00 33.50 31.51 2q3n n PRO 3 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2q3n s ILE 4 N -3.18 3.76 -0.06 0.52 1.09 -1.19 -4.83 121.20 117.31 2q3n s ILE 4 Ca 0.47 -0.31 0.03 0.00 -1.10 0.00 0.00 60.65 59.75 2q3n s ILE 4 Cb 0.41 -4.81 0.00 0.00 -1.06 0.00 0.00 42.46 37.01 2q3n s ILE 4 CO 0.04 -1.72 -0.16 -1.59 -0.10 0.00 0.00 174.94 171.41 2q3n s LYS 5 N 5.60 1.96 -0.29 2.79 -2.85 -1.26 -2.22 119.74 123.47 2q3n s LYS 5 Ca 0.47 -0.57 -0.18 0.00 -1.00 0.00 0.00 55.97 54.70 2q3n s LYS 5 Cb -0.04 -1.61 -0.02 0.00 -2.06 0.00 0.00 37.83 34.09 2q3n s LYS 5 CO 0.00 0.14 0.50 0.12 0.10 0.00 0.00 175.35 176.21 2q3n s PHE 6 N 0.36 3.23 -0.23 1.78 5.36 -0.26 -4.94 117.98 123.28 2q3n s PHE 6 Ca -0.11 0.47 -0.23 0.00 -0.96 0.00 0.00 56.93 56.10 2q3n s PHE 6 Cb -0.14 -2.77 -0.01 0.00 -0.34 0.00 0.00 43.02 39.75 2q3n s PHE 6 CO 0.04 -0.36 0.73 0.95 -1.46 0.00 0.00 175.22 175.13 2q3n s THR 7 N 2.32 4.91 -0.08 0.12 -4.23 -1.26 -1.87 115.64 115.55 2q3n s THR 7 Ca 0.20 1.37 0.14 0.00 -1.18 0.00 0.00 61.69 62.22 2q3n s THR 7 Cb -0.16 -4.03 -0.22 0.00 1.34 0.00 0.00 72.50 69.44 2q3n s THR 7 CO 0.11 -0.01 0.61 0.35 -0.54 0.00 0.00 174.62 175.14 2q3n n THR 8 N 5.12 1.47 -1.16 3.99 -2.24 -0.88 -4.30 114.28 116.27 2q3n n THR 8 Ca 0.02 -0.78 -0.35 0.00 -2.27 0.00 0.00 64.05 60.67 2q3n n THR 8 Cb 0.48 -0.88 0.08 0.00 -2.10 0.00 0.00 70.33 67.91 2q3n n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2q3n n GLY 9 N 1.54 -1.64 4.16 3.38 0.00 -1.21 -3.19 105.19 108.23 2q3n n GLY 9 Ca -0.17 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 2q3n n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2q3n n SER 10 N -0.49 -2.19 -4.84 1.61 3.41 -1.26 -4.94 113.62 104.92 2q3n n SER 10 Ca 0.09 -1.29 -0.37 0.00 -0.26 0.00 0.00 58.87 57.05 2q3n n SER 10 Cb 0.51 -1.68 -0.06 0.00 -0.26 0.00 0.00 64.21 62.71 2q3n n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2q3n s ALA 11 N -3.85 3.79 0.22 7.33 0.00 -1.19 -4.95 121.76 123.10 2q3n s ALA 11 Ca 0.30 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.74 2q3n s ALA 11 Cb -0.17 -2.11 -0.05 0.00 0.00 0.00 0.00 23.12 20.79 2q3n s ALA 11 CO 0.98 0.48 -0.00 0.95 0.00 0.00 0.00 175.76 178.17 2q3n s THR 12 N -0.71 0.96 0.21 0.00 -4.23 -1.26 -4.97 115.64 105.64 2q3n s THR 12 Ca 0.16 -2.02 -0.09 0.00 -1.18 0.00 0.00 61.69 58.55 2q3n s THR 12 Cb -0.13 -2.28 0.14 0.00 1.34 0.00 0.00 72.50 71.57 2q3n s THR 12 CO 0.05 -0.37 1.77 -0.65 -0.54 0.00 0.00 174.62 174.88 2q3n h PRO 13 N 2.53 0.51 -0.69 3.99 0.11 -1.92 -1.17 132.00 135.36 2q3n h PRO 13 Ca -0.38 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 65.85 2q3n h PRO 13 Cb 1.22 -0.11 -0.11 0.00 0.11 0.00 0.00 31.00 32.11 2q3n h PRO 13 CO 0.64 0.34 0.10 0.00 -0.21 0.00 0.00 178.00 178.87 2q3n h ALA 14 N 1.39 0.81 -0.01 -0.75 0.00 -1.99 -2.36 119.26 116.35 2q3n h ALA 14 Ca 0.31 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 2q3n h ALA 14 Cb 0.31 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2q3n h ALA 14 CO -0.25 -0.36 -0.01 1.03 0.00 0.00 0.00 179.25 179.66 2q3n h SER 15 N 0.20 0.03 -0.56 0.00 0.87 -1.72 -2.93 113.55 109.44 2q3n h SER 15 Ca 0.38 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2q3n h SER 15 Cb 0.63 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 2q3n h SER 15 CO -0.52 0.41 0.29 0.22 -0.53 0.00 0.00 176.83 176.71 2q3n h TYR 16 N -0.36 0.78 0.32 2.24 3.20 -1.11 -3.02 116.97 119.01 2q3n h TYR 16 Ca 0.00 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2q3n h TYR 16 Cb 0.40 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2q3n h TYR 16 CO 0.06 0.58 -0.25 -0.91 -1.64 0.00 0.00 178.16 176.00 2q3n h ASN 17 N 0.75 -0.65 -0.32 -2.11 2.35 -1.42 -2.42 115.58 111.76 2q3n h ASN 17 Ca 0.19 0.04 0.10 0.00 -0.55 0.00 0.00 56.30 56.09 2q3n h ASN 17 Cb 0.07 0.20 -0.06 0.00 0.05 0.00 0.00 38.32 38.58 2q3n h ASN 17 CO -0.03 -0.35 0.05 1.67 -1.65 0.00 0.00 177.43 177.12 2q3n n GLN 18 N -3.83 -0.02 0.00 0.81 0.00 -1.11 -0.58 117.38 112.64 2q3n n GLN 18 Ca -0.07 0.47 0.00 0.00 -0.00 0.00 0.00 57.00 57.40 2q3n n GLN 18 Cb 0.24 -0.76 0.00 0.00 0.00 0.00 0.00 30.24 29.71 2q3n n GLN 18 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2q3n n PHE 19 N -4.12 0.00 -0.36 3.69 7.35 -1.05 -1.81 117.46 121.17 2q3n n PHE 19 Ca 0.09 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.81 2q3n n PHE 19 Cb 0.28 -0.33 0.10 0.00 0.35 0.00 0.00 39.48 39.88 2q3n n PHE 19 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 2q3n n ILE 20 N -1.50 -0.44 -0.00 -2.13 2.08 0.25 -0.29 119.36 117.33 2q3n n ILE 20 Ca 0.00 2.23 -0.00 0.00 0.56 0.00 0.00 62.75 65.54 2q3n n ILE 20 Cb 0.00 -3.03 -0.00 0.00 -0.75 0.00 0.00 39.64 35.86 2q3n n ILE 20 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 2q3n h ASP 21 N 0.00 -0.02 -1.05 4.38 5.19 -0.96 0.15 116.42 124.11 2q3n h ASP 21 Ca 0.42 0.00 0.30 0.00 -0.62 0.00 0.00 57.03 57.13 2q3n h ASP 21 Cb 0.66 0.01 -0.04 0.00 0.18 0.00 0.00 39.33 40.13 2q3n h ASP 21 CO -0.98 -0.00 0.87 0.00 -3.12 0.00 0.00 179.24 176.00 2q3n h ALA 22 N -1.28 2.94 0.07 3.45 0.00 0.15 0.42 119.26 125.00 2q3n h ALA 22 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2q3n h ALA 22 Cb 0.01 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2q3n h ALA 22 CO -0.01 -1.41 -0.03 1.25 0.00 0.00 0.00 179.25 179.05 2q3n h LEU 23 N 0.00 -0.07 -0.67 0.00 5.85 0.36 -3.05 115.31 117.73 2q3n h LEU 23 Ca 0.50 -0.54 0.14 0.00 0.84 0.00 0.00 57.88 58.83 2q3n h LEU 23 Cb 2.23 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 43.16 2q3n h LEU 23 CO -0.01 0.62 -0.06 0.03 -0.34 0.00 0.00 178.44 178.68 2q3n h ARG 24 N -0.89 0.06 -0.80 1.25 3.08 0.25 0.22 114.38 117.55 2q3n h ARG 24 Ca -0.01 -0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.13 2q3n h ARG 24 Cb 0.61 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.53 2q3n h ARG 24 CO 0.01 0.04 -0.40 0.39 -1.07 0.00 0.00 179.97 178.95 2q3n n GLU 25 N -5.36 -0.27 -0.11 0.04 -0.58 0.14 0.10 120.64 114.59 2q3n n GLU 25 Ca 0.10 1.23 -0.09 0.00 -0.42 0.00 0.00 57.16 57.97 2q3n n GLU 25 Cb 0.38 -1.81 0.05 0.00 -0.57 0.00 0.00 31.44 29.50 2q3n n GLU 25 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2q3n h ARG 26 N 0.00 0.86 -0.12 3.49 1.12 -0.51 -3.03 114.38 116.19 2q3n h ARG 26 Ca 0.20 -0.36 -0.16 0.00 -1.11 0.00 0.00 59.98 58.56 2q3n h ARG 26 Cb 0.40 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.32 2q3n h ARG 26 CO -0.78 1.00 -0.59 -0.07 -3.11 0.00 0.00 179.97 176.42 2q3n h LEU 27 N 0.74 0.45 -8.46 3.80 3.38 -0.04 -3.44 115.31 111.74 2q3n h LEU 27 Ca 0.10 -0.26 -0.49 0.00 0.09 0.00 0.00 57.88 57.33 2q3n h LEU 27 Cb 0.77 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2q3n h LEU 27 CO 0.06 0.94 1.65 0.41 0.09 0.00 0.00 178.44 181.60 2q3n n THR 28 N -3.91 -0.04 0.07 0.22 -1.04 0.28 -4.38 114.28 105.48 2q3n n THR 28 Ca -0.03 -0.56 -0.22 0.00 -2.04 0.00 0.00 64.05 61.19 2q3n n THR 28 Cb 0.62 -2.16 -0.15 0.00 -1.82 0.00 0.00 70.33 66.82 2q3n n THR 28 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2q3n h GLY 29 N 17.20 0.43 -0.88 3.41 0.00 -1.23 -3.49 103.07 118.51 2q3n h GLY 29 Ca -0.20 -1.10 0.00 0.00 0.00 0.00 0.00 47.33 46.03 2q3n h GLY 29 CO 1.20 0.97 0.27 0.61 0.00 0.00 0.00 176.54 179.59 2q3n n GLY 30 N 1.75 1.08 3.46 4.60 0.00 -0.36 -4.89 105.19 110.84 2q3n n GLY 30 Ca -0.20 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 2q3n n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q3n s LEU 31 N 0.00 2.85 -0.15 0.99 1.43 -1.26 0.39 118.68 122.94 2q3n s LEU 31 Ca 0.14 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 2q3n s LEU 31 Cb -0.04 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.58 2q3n s LEU 31 CO 0.09 0.27 -0.17 -0.63 0.23 0.00 0.00 176.35 176.15 2q3n s ILE 32 N -0.30 1.74 -1.67 -0.59 -1.09 1.00 -4.76 121.20 115.53 2q3n s ILE 32 Ca 0.03 -0.76 -0.16 0.00 -2.23 0.00 0.00 60.65 57.53 2q3n s ILE 32 Cb -0.13 -1.60 0.14 0.00 -1.58 0.00 0.00 42.46 39.29 2q3n s ILE 32 CO 0.03 0.49 0.72 -1.22 -1.23 0.00 0.00 174.94 173.72 2q3n n TYR 33 N 4.51 -1.71 -2.53 3.97 0.53 -1.26 -0.40 117.16 120.28 2q3n n TYR 33 Ca -0.19 0.79 -0.16 0.00 -1.02 0.00 0.00 57.90 57.32 2q3n n TYR 33 Cb 0.50 -3.03 0.01 0.00 -1.03 0.00 0.00 39.34 35.79 2q3n n TYR 33 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2q3n n GLY 34 N -1.50 -0.23 2.97 2.72 0.00 -1.26 -5.02 105.19 102.87 2q3n n GLY 34 Ca 0.02 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 2q3n n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2q3n s ILE 35 N -2.87 0.93 -0.14 -0.61 1.01 0.47 -5.12 121.20 114.86 2q3n s ILE 35 Ca 0.10 -0.35 -0.30 0.00 0.00 0.00 0.00 60.65 60.10 2q3n s ILE 35 Cb -0.04 -0.88 -0.08 0.00 0.01 0.00 0.00 42.46 41.47 2q3n s ILE 35 CO 0.12 0.31 2.11 -2.65 0.00 0.00 0.00 174.94 174.83 2q3n n PRO 36 N 3.97 2.16 -3.94 2.79 -0.02 -1.26 -0.00 135.00 138.69 2q3n n PRO 36 Ca -0.23 0.69 -0.31 0.00 -2.02 0.00 0.00 63.50 61.63 2q3n n PRO 36 Cb 0.51 -3.02 -0.04 0.00 -0.02 0.00 0.00 33.50 30.93 2q3n n PRO 36 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2q3n s VAL 37 N 6.59 5.26 1.16 -1.45 0.11 0.16 -0.73 120.40 131.50 2q3n s VAL 37 Ca 0.97 -0.46 -0.20 0.00 -2.93 0.00 0.00 61.98 59.37 2q3n s VAL 37 Cb -0.46 -3.57 0.28 0.00 -1.53 0.00 0.00 36.38 31.10 2q3n s VAL 37 CO 0.41 0.13 1.20 -0.76 -3.33 0.00 0.00 175.10 172.74 2q3n s LEU 38 N -2.52 1.26 0.47 2.54 1.43 0.13 -0.88 118.68 121.11 2q3n s LEU 38 Ca 0.34 0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 53.68 2q3n s LEU 38 Cb -0.13 -2.11 -0.07 0.00 0.03 0.00 0.00 46.19 43.91 2q3n s LEU 38 CO 0.27 -3.87 0.89 -0.13 0.23 0.00 0.00 176.35 173.74 2q3n s ARG 39 N -5.67 3.86 -0.12 1.70 0.52 -1.26 -4.36 118.95 113.62 2q3n s ARG 39 Ca 0.74 0.72 -0.29 0.00 -0.52 0.00 0.00 55.73 56.38 2q3n s ARG 39 Cb -0.06 -2.25 -0.05 0.00 0.52 0.00 0.00 34.95 33.11 2q3n s ARG 39 CO 0.55 -0.17 1.75 0.34 0.02 0.00 0.00 175.30 177.79 2q3n s ASP 40 N -3.14 6.40 0.00 0.23 -1.08 -1.26 -4.56 116.67 113.26 2q3n s ASP 40 Ca 0.55 2.03 0.00 0.00 -0.52 0.00 0.00 52.55 54.61 2q3n s ASP 40 Cb -0.10 -2.53 0.01 0.00 -1.46 0.00 0.00 42.92 38.84 2q3n s ASP 40 CO 0.32 -1.18 0.90 -0.81 0.52 0.00 0.00 175.17 174.92 2q3n n PRO 41 N 7.56 0.00 -0.42 4.34 -0.04 -1.26 0.81 135.00 145.99 2q3n n PRO 41 Ca 0.20 0.40 0.10 0.00 -0.04 0.00 0.00 63.50 64.15 2q3n n PRO 41 Cb 0.44 -1.61 0.30 0.00 -0.04 0.00 0.00 33.50 32.59 2q3n n PRO 41 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2q3n n SER 42 N -1.40 3.83 -0.00 3.54 3.41 -1.26 -3.87 113.62 117.86 2q3n n SER 42 Ca -0.00 -2.16 0.05 0.00 -0.26 0.00 0.00 58.87 56.50 2q3n n SER 42 Cb 0.10 -0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 63.50 2q3n n SER 42 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2q3n n THR 43 N 1.24 0.00 -4.47 6.66 5.66 0.24 -5.01 114.28 118.59 2q3n n THR 43 Ca 0.22 -0.25 -0.34 0.00 -3.05 0.00 0.00 64.05 60.64 2q3n n THR 43 Cb 0.66 0.79 -0.12 0.00 -1.55 0.00 0.00 70.33 70.11 2q3n n THR 43 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2q3n s VAL 44 N -2.25 3.84 0.42 1.08 -7.23 -1.18 -5.02 120.40 110.06 2q3n s VAL 44 Ca 0.02 -0.39 -0.12 0.00 -1.81 0.00 0.00 61.98 59.68 2q3n s VAL 44 Cb 0.08 -2.65 -0.07 0.00 0.56 0.00 0.00 36.38 34.31 2q3n s VAL 44 CO 0.46 0.53 0.81 -1.61 -0.31 0.00 0.00 175.10 174.98 2q3n s GLU 45 N -0.02 3.82 0.20 4.82 2.02 -1.26 -4.96 118.70 123.31 2q3n s GLU 45 Ca 0.01 0.58 -0.11 0.00 0.02 0.00 0.00 54.97 55.47 2q3n s GLU 45 Cb -0.13 -2.34 0.24 0.00 0.10 0.00 0.00 34.13 32.00 2q3n s GLU 45 CO 0.03 -0.08 1.73 0.87 0.02 0.00 0.00 175.26 177.83 2q3n h LYS 46 N 1.22 0.33 0.00 1.61 6.56 -1.99 -1.08 116.57 123.22 2q3n h LYS 46 Ca -0.47 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 2q3n h LYS 46 Cb 1.19 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.77 2q3n h LYS 46 CO 0.63 0.22 0.00 -0.35 -2.06 0.00 0.00 179.45 177.89 2q3n n PRO 47 N -5.04 0.08 0.00 3.15 -0.04 -1.26 -1.89 135.00 130.00 2q3n n PRO 47 Ca 0.07 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 64.01 2q3n n PRO 47 Cb 0.26 -1.67 0.15 0.00 -0.04 0.00 0.00 33.50 32.19 2q3n n PRO 47 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2q3n n ASN 48 N -1.83 2.33 0.16 3.54 3.02 -0.43 -4.69 115.26 117.36 2q3n n ASN 48 Ca 0.02 -1.69 0.13 0.00 -0.03 0.00 0.00 54.58 53.02 2q3n n ASN 48 Cb 0.18 0.16 0.36 0.00 -0.61 0.00 0.00 39.78 39.87 2q3n n ASN 48 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2q3n h GLN 49 N 3.38 0.00 -6.40 3.52 4.15 -1.15 -3.47 115.11 115.15 2q3n h GLN 49 Ca 0.00 0.00 -0.62 0.00 0.77 0.00 0.00 58.65 58.80 2q3n h GLN 49 Cb 0.82 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.37 2q3n h GLN 49 CO 0.00 0.00 -0.71 0.71 -1.93 0.00 0.00 178.83 176.90 2q3n s TYR 50 N -3.21 2.66 0.10 3.99 2.02 -1.26 0.02 117.35 121.67 2q3n s TYR 50 Ca 0.08 -0.21 0.07 0.00 -0.37 0.00 0.00 57.07 56.64 2q3n s TYR 50 Cb 0.09 -1.28 -0.03 0.00 -0.40 0.00 0.00 41.96 40.34 2q3n s TYR 50 CO 0.59 0.53 -0.18 0.08 -1.57 0.00 0.00 175.55 175.00 2q3n s VAL 51 N -1.79 1.52 -0.21 0.71 1.01 0.25 -4.88 120.40 117.01 2q3n s VAL 51 Ca 0.26 -1.50 -0.03 0.00 0.00 0.00 0.00 61.98 60.71 2q3n s VAL 51 Cb -0.09 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.87 2q3n s VAL 51 CO 0.16 -0.14 -0.08 0.42 0.00 0.00 0.00 175.10 175.46 2q3n s THR 52 N -1.29 3.05 -0.16 3.92 -4.23 -1.26 0.29 115.64 115.96 2q3n s THR 52 Ca 0.04 -0.64 -0.06 0.00 -1.18 0.00 0.00 61.69 59.86 2q3n s THR 52 Cb -0.10 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 2q3n s THR 52 CO 0.04 0.43 0.04 -0.69 -0.54 0.00 0.00 174.62 173.89 2q3n s VAL 53 N 1.43 4.57 -0.19 2.29 1.01 -0.94 -3.19 120.40 125.38 2q3n s VAL 53 Ca 0.05 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 2q3n s VAL 53 Cb -0.14 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2q3n s VAL 53 CO -0.05 0.49 0.07 -0.70 0.00 0.00 0.00 175.10 174.90 2q3n s GLU 54 N 0.16 3.92 -0.25 2.72 2.12 -0.94 -0.32 118.70 126.11 2q3n s GLU 54 Ca 0.03 -0.37 -0.06 0.00 0.36 0.00 0.00 54.97 54.93 2q3n s GLU 54 Cb -0.13 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.01 2q3n s GLU 54 CO 0.01 0.19 0.04 -0.51 -0.54 0.00 0.00 175.26 174.45 2q3n s LEU 55 N 0.60 3.37 0.06 2.70 1.43 -0.45 -1.11 118.68 125.29 2q3n s LEU 55 Ca 0.03 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 2q3n s LEU 55 Cb -0.13 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 2q3n s LEU 55 CO 0.01 -0.06 0.06 -0.94 0.23 0.00 0.00 176.35 175.65 2q3n s SER 56 N 1.55 5.42 0.00 2.29 1.04 -0.78 -1.85 113.70 121.36 2q3n s SER 56 Ca 0.05 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.47 2q3n s SER 56 Cb -0.15 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.53 2q3n s SER 56 CO 0.01 0.20 0.00 0.00 0.98 0.00 0.00 173.24 174.44 2q3n n TYR 57 N 0.69 0.00 0.00 5.02 9.36 0.14 -2.08 117.16 130.30 2q3n n TYR 57 Ca -0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.12 2q3n n TYR 57 Cb 0.52 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.23 2q3n n TYR 57 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 2q3n n SER 58 N -1.89 0.00 -0.76 2.98 3.41 -1.18 -3.33 113.62 112.84 2q3n n SER 58 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 2q3n n SER 58 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2q3n n SER 58 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2q3n n ASP 59 N 0.00 -0.58 0.00 4.04 5.68 -1.26 -2.94 116.55 121.49 2q3n n ASP 59 Ca 0.00 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 2q3n n ASP 59 Cb 0.00 0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 2q3n n ASP 59 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2q3n n THR 60 N 0.00 0.00 -3.75 2.12 -2.24 -1.26 -5.05 114.28 104.10 2q3n n THR 60 Ca -0.16 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.33 2q3n n THR 60 Cb 0.56 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.63 2q3n n THR 60 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2q3n s VAL 61 N 0.00 0.75 -0.19 2.28 1.01 -1.15 -5.04 120.40 118.06 2q3n s VAL 61 Ca 0.00 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 60.76 2q3n s VAL 61 Cb 0.00 -1.35 0.10 0.00 0.00 0.00 0.00 36.38 35.13 2q3n s VAL 61 CO 0.00 -0.38 0.86 -0.94 0.00 0.00 0.00 175.10 174.64 2q3n s SER 62 N 1.72 -0.55 0.04 3.32 1.04 -1.26 0.28 113.70 118.29 2q3n s SER 62 Ca 0.02 0.84 0.09 0.00 0.48 0.00 0.00 55.95 57.39 2q3n s SER 62 Cb -0.17 0.78 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 2q3n s SER 62 CO -0.15 -0.34 -0.26 0.27 0.98 0.00 0.00 173.24 173.74 2q3n s ILE 63 N -0.45 2.09 0.27 -1.02 -5.25 -0.77 -4.52 121.20 111.54 2q3n s ILE 63 Ca -0.02 -1.34 -0.00 0.00 -0.99 0.00 0.00 60.65 58.29 2q3n s ILE 63 Cb -0.03 -1.78 -0.04 0.00 2.95 0.00 0.00 42.46 43.56 2q3n s ILE 63 CO 0.02 0.37 0.46 -1.10 -1.79 0.00 0.00 174.94 172.90 2q3n s GLN 64 N -1.17 3.52 0.06 0.37 -0.21 -0.13 -1.34 119.66 120.76 2q3n s GLN 64 Ca 0.11 -0.34 0.09 0.00 0.02 0.00 0.00 55.36 55.25 2q3n s GLN 64 Cb -0.10 -2.76 -0.03 0.00 1.00 0.00 0.00 33.01 31.12 2q3n s GLN 64 CO 0.02 0.29 -0.26 -0.51 -2.12 0.00 0.00 175.29 172.71 2q3n s LEU 65 N -3.76 2.19 -0.34 2.90 1.43 0.56 -0.85 118.68 120.81 2q3n s LEU 65 Ca 0.39 -0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 52.74 2q3n s LEU 65 Cb -0.10 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.88 2q3n s LEU 65 CO 0.31 0.23 0.34 -0.83 0.23 0.00 0.00 176.35 176.64 2q3n s GLY 66 N -1.37 1.91 -0.21 -3.19 0.00 0.17 -2.21 107.32 102.43 2q3n s GLY 66 Ca 0.11 -1.23 -0.06 0.00 0.00 0.00 0.00 44.72 43.55 2q3n s GLY 66 CO 0.03 0.96 0.03 -0.42 0.00 0.00 0.00 173.10 173.70 2q3n s ILE 67 N 1.98 4.19 0.45 0.90 -1.09 0.14 -0.63 121.20 127.14 2q3n s ILE 67 Ca 0.11 -0.23 -0.24 0.00 -2.23 0.00 0.00 60.65 58.06 2q3n s ILE 67 Cb -0.17 -2.91 -0.07 0.00 -1.58 0.00 0.00 42.46 37.73 2q3n s ILE 67 CO 0.11 0.41 1.25 -0.62 -1.23 0.00 0.00 174.94 174.86 2q3n s ASP 68 N 1.03 6.11 -0.00 3.58 -1.08 0.57 0.85 116.67 127.73 2q3n s ASP 68 Ca 0.03 2.51 0.01 0.00 -0.52 0.00 0.00 52.55 54.57 2q3n s ASP 68 Cb -0.14 -2.62 0.02 0.00 -1.46 0.00 0.00 42.92 38.72 2q3n s ASP 68 CO 0.02 -0.98 0.74 0.18 0.52 0.00 0.00 175.17 175.65 2q3n n LEU 69 N -0.29 0.73 -0.11 -1.34 4.77 0.10 0.92 117.00 121.77 2q3n n LEU 69 Ca 0.06 -0.37 -0.15 0.00 -0.03 0.00 0.00 56.01 55.53 2q3n n LEU 69 Cb 0.46 -0.31 -0.12 0.00 -2.33 0.00 0.00 43.42 41.12 2q3n n LEU 69 CO 0.52 0.17 -1.23 0.41 -1.33 0.00 0.00 177.39 175.93 2q3n n THR 70 N -0.17 1.33 -0.50 -5.08 -1.04 -1.26 -4.49 114.28 103.07 2q3n n THR 70 Ca 0.01 -0.58 0.00 0.00 -2.04 0.00 0.00 64.05 61.44 2q3n n THR 70 Cb 0.17 -1.13 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 2q3n n THR 70 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2q3n n ASN 71 N -3.06 -0.13 -1.24 8.00 6.94 -1.26 -4.62 115.26 119.89 2q3n n ASN 71 Ca -0.39 0.24 -0.15 0.00 -0.02 0.00 0.00 54.58 54.26 2q3n n ASN 71 Cb 0.98 -0.36 -0.07 0.00 -2.36 0.00 0.00 39.78 37.98 2q3n n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2q3n n ALA 72 N 1.60 -0.23 -0.97 -2.53 0.00 0.26 -4.09 120.51 114.56 2q3n n ALA 72 Ca 0.00 0.25 -0.31 0.00 0.00 0.00 0.00 53.44 53.37 2q3n n ALA 72 Cb 0.00 -1.80 0.01 0.00 0.00 0.00 0.00 19.45 17.67 2q3n n ALA 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2q3n n TYR 73 N -2.17 -2.84 -3.74 0.00 4.02 -1.26 -4.87 117.16 106.30 2q3n n TYR 73 Ca -0.15 0.27 -0.35 0.00 -0.01 0.00 0.00 57.90 57.66 2q3n n TYR 73 Cb 0.59 -1.32 -0.09 0.00 -0.02 0.00 0.00 39.34 38.50 2q3n n TYR 73 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2q3n s VAL 74 N -1.63 3.70 0.28 -0.72 1.01 -1.26 -0.31 120.40 121.46 2q3n s VAL 74 Ca 0.43 -3.42 0.34 0.00 0.00 0.00 0.00 61.98 59.33 2q3n s VAL 74 Cb -0.34 -3.38 0.37 0.00 0.00 0.00 0.00 36.38 33.03 2q3n s VAL 74 CO 0.57 -0.95 2.06 -0.37 0.00 0.00 0.00 175.10 176.42 2q3n h VAL 75 N 4.84 0.16 -1.89 2.92 -1.51 -1.23 -3.47 116.25 116.07 2q3n h VAL 75 Ca 0.05 -0.48 0.20 0.00 -1.23 0.00 0.00 66.70 65.24 2q3n h VAL 75 Cb 0.88 1.41 -0.15 0.00 -2.13 0.00 0.00 31.29 31.30 2q3n h VAL 75 CO 0.75 0.05 0.65 0.00 -1.23 0.00 0.00 177.57 177.79 2q3n s ALA 76 N -3.85 -1.95 -0.02 5.19 0.00 -1.24 -1.98 121.76 117.91 2q3n s ALA 76 Ca -0.01 1.00 -0.04 0.00 0.00 0.00 0.00 51.96 52.91 2q3n s ALA 76 Cb 0.11 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.50 2q3n s ALA 76 CO 0.53 -0.78 0.09 1.52 0.00 0.00 0.00 175.76 177.13 2q3n s TYR 77 N -2.80 -0.02 -0.15 0.00 -0.85 -0.63 0.46 117.35 113.36 2q3n s TYR 77 Ca 0.09 0.05 -0.02 0.00 -0.52 0.00 0.00 57.07 56.67 2q3n s TYR 77 Cb -0.00 -0.02 -0.02 0.00 0.38 0.00 0.00 41.96 42.30 2q3n s TYR 77 CO -0.05 -0.13 -0.08 0.50 -1.52 0.00 0.00 175.55 174.27 2q3n s ARG 78 N -0.54 3.53 -0.54 -3.49 3.52 -0.03 -1.08 118.95 120.33 2q3n s ARG 78 Ca -0.06 -0.60 0.04 0.00 -0.13 0.00 0.00 55.73 54.98 2q3n s ARG 78 Cb -0.04 -2.80 0.15 0.00 -1.56 0.00 0.00 34.95 30.69 2q3n s ARG 78 CO 0.00 0.20 0.33 0.00 -0.81 0.00 0.00 175.30 175.02 2q3n s ALA 79 N 0.43 3.01 0.00 6.12 0.00 0.22 -0.95 121.76 130.59 2q3n s ALA 79 Ca -0.06 -3.20 0.00 0.00 0.00 0.00 0.00 51.96 48.70 2q3n s ALA 79 Cb -0.15 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 20.92 2q3n s ALA 79 CO 0.04 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.16 2q3n n GLY 80 N 2.88 0.67 1.02 0.00 0.00 -1.26 -3.38 105.19 105.12 2q3n n GLY 80 Ca 0.12 -0.70 0.06 0.00 0.00 0.00 0.00 46.02 45.49 2q3n n GLY 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2q3n n SER 81 N 6.90 2.94 -4.19 1.61 3.41 -1.26 -4.81 113.62 118.21 2q3n n SER 81 Ca 0.00 -2.23 -0.23 0.00 -0.26 0.00 0.00 58.87 56.15 2q3n n SER 81 Cb 0.00 -0.43 -0.14 0.00 -0.26 0.00 0.00 64.21 63.38 2q3n n SER 81 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2q3n s GLU 82 N -1.68 1.18 0.09 4.33 2.02 -1.22 -2.83 118.70 120.58 2q3n s GLU 82 Ca 0.30 -0.82 0.04 0.00 0.02 0.00 0.00 54.97 54.51 2q3n s GLU 82 Cb 0.19 -1.23 -0.03 0.00 0.10 0.00 0.00 34.13 33.16 2q3n s GLU 82 CO 0.15 0.31 -0.11 -1.54 0.02 0.00 0.00 175.26 174.10 2q3n s SER 83 N -1.07 1.42 -0.04 -0.19 1.04 0.64 -0.61 113.70 114.89 2q3n s SER 83 Ca 0.05 -0.74 0.03 0.00 0.48 0.00 0.00 55.95 55.76 2q3n s SER 83 Cb -0.08 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.04 2q3n s SER 83 CO 0.01 -0.22 -0.11 -0.36 0.98 0.00 0.00 173.24 173.54 2q3n s PHE 84 N -2.10 1.16 0.11 5.02 0.40 -0.24 -0.96 117.98 121.38 2q3n s PHE 84 Ca 0.02 -0.32 0.09 0.00 -0.60 0.00 0.00 56.93 56.12 2q3n s PHE 84 Cb -0.05 -0.83 -0.04 0.00 0.51 0.00 0.00 43.02 42.62 2q3n s PHE 84 CO 0.00 -0.14 -0.24 -0.06 0.70 0.00 0.00 175.22 175.48 2q3n s PHE 85 N 0.27 2.04 0.54 0.36 0.40 0.13 -1.61 117.98 120.12 2q3n s PHE 85 Ca -0.05 -0.40 -0.20 0.00 -0.60 0.00 0.00 56.93 55.68 2q3n s PHE 85 Cb -0.10 -1.12 -0.05 0.00 0.51 0.00 0.00 43.02 42.25 2q3n s PHE 85 CO 0.01 0.26 1.16 -0.06 0.70 0.00 0.00 175.22 177.29 2q3n s PHE 86 N -1.09 2.61 -1.89 0.36 0.40 -0.84 -0.67 117.98 116.87 2q3n s PHE 86 Ca 0.10 1.53 0.00 0.00 -0.60 0.00 0.00 56.93 57.96 2q3n s PHE 86 Cb -0.10 -3.37 0.00 0.00 0.51 0.00 0.00 43.02 40.06 2q3n s PHE 86 CO 0.05 -1.77 0.37 2.89 0.70 0.00 0.00 175.22 177.45 2q3n n ARG 87 N -1.24 0.39 0.00 0.44 -4.01 -0.85 -2.01 116.66 109.37 2q3n n ARG 87 Ca 0.11 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.92 2q3n n ARG 87 Cb 0.50 -1.02 0.00 0.00 -3.04 0.00 0.00 32.46 28.90 2q3n n ARG 87 CO 0.00 0.00 0.00 0.27 -3.04 0.00 0.00 177.63 174.86 2q3n n ASN 88 N -0.41 0.02 -4.77 2.89 6.94 -1.26 -4.92 115.26 113.75 2q3n n ASN 88 Ca 0.00 -1.01 -0.41 0.00 -0.02 0.00 0.00 54.58 53.15 2q3n n ASN 88 Cb 0.01 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.44 2q3n n ASN 88 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2q3n n ALA 89 N -0.00 2.19 -1.95 -2.53 0.00 -0.85 -5.00 120.51 112.37 2q3n n ALA 89 Ca 0.00 0.30 -0.26 0.00 0.00 0.00 0.00 53.44 53.48 2q3n n ALA 89 Cb 0.40 -2.40 0.09 0.00 0.00 0.00 0.00 19.45 17.54 2q3n n ALA 89 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2q3n s PRO 90 N -2.26 1.88 0.61 0.00 0.05 -1.26 -4.92 135.00 129.10 2q3n s PRO 90 Ca 0.57 -0.49 0.28 0.00 0.05 0.00 0.00 61.00 61.41 2q3n s PRO 90 Cb -0.47 -2.18 1.35 0.00 0.05 0.00 0.00 34.50 33.26 2q3n s PRO 90 CO 0.61 -1.42 1.76 0.00 0.05 0.00 0.00 177.00 178.00 2q3n h ALA 91 N -0.69 2.21 0.31 8.56 0.00 -2.01 -1.58 119.26 126.05 2q3n h ALA 91 Ca -0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2q3n h ALA 91 Cb 1.29 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2q3n h ALA 91 CO 0.52 -0.87 -0.15 0.66 0.00 0.00 0.00 179.25 179.42 2q3n h SER 92 N 0.00 -0.35 -0.88 0.00 4.64 -1.98 -2.34 113.55 112.64 2q3n h SER 92 Ca 0.23 -0.19 0.23 0.00 -0.47 0.00 0.00 61.79 61.59 2q3n h SER 92 Cb 1.46 0.09 -0.15 0.00 -0.31 0.00 0.00 62.40 63.50 2q3n h SER 92 CO -0.00 0.08 0.18 0.00 -0.87 0.00 0.00 176.83 176.21 2q3n h ALA 93 N -0.41 1.20 -0.40 5.18 0.00 -1.65 -0.59 119.26 122.59 2q3n h ALA 93 Ca -0.04 0.24 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2q3n h ALA 93 Cb 0.52 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2q3n h ALA 93 CO 0.07 -0.48 -0.08 0.77 0.00 0.00 0.00 179.25 179.53 2q3n h SER 94 N 0.16 0.76 0.71 0.00 0.02 -1.56 -2.56 113.55 111.09 2q3n h SER 94 Ca 0.54 -0.35 -0.21 0.00 -0.84 0.00 0.00 61.79 60.93 2q3n h SER 94 Cb 1.09 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 2q3n h SER 94 CO -0.70 0.94 -0.96 0.71 -1.14 0.00 0.00 176.83 175.68 2q3n h THR 95 N 0.57 1.56 -0.50 -2.27 1.35 -0.78 -3.36 112.91 109.49 2q3n h THR 95 Ca 0.10 -2.90 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 2q3n h THR 95 Cb 0.59 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 2q3n h THR 95 CO 0.04 0.84 0.00 -1.22 -0.25 0.00 0.00 175.52 174.92 2q3n n TYR 96 N -3.56 1.01 -3.78 4.73 0.53 -0.30 -4.83 117.16 110.96 2q3n n TYR 96 Ca -0.03 -0.61 -0.13 0.00 -1.02 0.00 0.00 57.90 56.11 2q3n n TYR 96 Cb 0.87 -0.16 -0.12 0.00 -1.03 0.00 0.00 39.34 38.90 2q3n n TYR 96 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 2q3n s LEU 97 N -1.66 0.95 -1.11 7.72 2.96 -0.96 -4.84 118.68 121.74 2q3n s LEU 97 Ca 0.41 0.52 -0.08 0.00 -0.22 0.00 0.00 54.13 54.76 2q3n s LEU 97 Cb 0.26 0.87 0.07 0.00 0.50 0.00 0.00 46.19 47.88 2q3n s LEU 97 CO 0.20 -0.10 0.35 0.49 -1.32 0.00 0.00 176.35 175.97 2q3n n PHE 98 N 3.07 -1.70 -0.45 5.38 0.99 -1.26 -4.79 117.46 118.70 2q3n n PHE 98 Ca -0.14 0.35 -0.29 0.00 -0.00 0.00 0.00 57.45 57.37 2q3n n PHE 98 Cb 0.58 -2.52 0.26 0.00 -1.00 0.00 0.00 39.48 36.80 2q3n n PHE 98 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2q3n n THR 99 N -3.64 0.00 -0.77 4.37 -2.24 -1.26 -2.70 114.28 108.03 2q3n n THR 99 Ca -0.02 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2q3n n THR 99 Cb 0.54 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 2q3n n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2q3n n GLY 100 N 1.41 0.27 3.67 3.38 0.00 -1.26 -4.97 105.19 107.69 2q3n n GLY 100 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 2q3n n GLY 100 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2q3n s THR 101 N -1.74 2.86 -0.11 2.61 -1.32 -1.10 -5.06 115.64 111.78 2q3n s THR 101 Ca 0.00 -1.86 -0.26 0.00 -1.21 0.00 0.00 61.69 58.37 2q3n s THR 101 Cb 0.00 -2.87 -0.02 0.00 -1.51 0.00 0.00 72.50 68.09 2q3n s THR 101 CO 0.00 -0.21 0.83 -1.10 -2.21 0.00 0.00 174.62 171.93 2q3n s GLN 102 N -3.76 4.39 -0.25 7.08 -0.21 -1.13 -4.92 119.66 120.85 2q3n s GLN 102 Ca 0.36 1.06 -0.04 0.00 0.02 0.00 0.00 55.36 56.76 2q3n s GLN 102 Cb -0.02 -3.52 0.01 0.00 1.00 0.00 0.00 33.01 30.49 2q3n s GLN 102 CO 0.21 -0.17 -0.02 -0.65 -2.12 0.00 0.00 175.29 172.54 2q3n s GLN 103 N 1.56 3.04 0.28 2.91 -0.21 -1.26 -0.26 119.66 125.72 2q3n s GLN 103 Ca 0.41 -0.85 0.10 0.00 0.02 0.00 0.00 55.36 55.04 2q3n s GLN 103 Cb -0.18 -3.10 -0.05 0.00 1.00 0.00 0.00 33.01 30.69 2q3n s GLN 103 CO 0.17 -0.36 -0.05 0.71 -2.12 0.00 0.00 175.29 173.64 2q3n s TYR 104 N 1.41 2.59 -0.17 0.91 1.51 -0.13 -5.01 117.35 118.46 2q3n s TYR 104 Ca 0.02 -0.27 -0.01 0.00 -1.01 0.00 0.00 57.07 55.80 2q3n s TYR 104 Cb -0.16 -1.18 -0.01 0.00 -0.11 0.00 0.00 41.96 40.50 2q3n s TYR 104 CO -0.02 0.63 -0.11 -1.12 -1.11 0.00 0.00 175.55 173.82 2q3n s SER 105 N -3.64 4.02 0.59 2.29 0.01 -1.26 -0.69 113.70 115.02 2q3n s SER 105 Ca 0.31 -0.38 -0.18 0.00 1.31 0.00 0.00 55.95 57.01 2q3n s SER 105 Cb -0.05 -1.64 -0.03 0.00 0.21 0.00 0.00 66.02 64.50 2q3n s SER 105 CO 0.19 0.08 1.17 -0.76 0.41 0.00 0.00 173.24 174.32 2q3n s LEU 106 N 0.85 3.64 -0.02 2.44 1.43 0.16 -4.92 118.68 122.26 2q3n s LEU 106 Ca -0.03 2.26 0.01 0.00 -1.03 0.00 0.00 54.13 55.34 2q3n s LEU 106 Cb -0.15 -4.59 0.07 0.00 0.03 0.00 0.00 46.19 41.55 2q3n s LEU 106 CO 0.00 -1.51 0.65 -2.65 0.23 0.00 0.00 176.35 173.07 2q3n n PRO 107 N -1.67 1.30 -4.27 1.29 -0.02 -1.26 -3.70 135.00 126.67 2q3n n PRO 107 Ca 0.12 -0.26 -0.18 0.00 -2.02 0.00 0.00 63.50 61.16 2q3n n PRO 107 Cb 0.50 -1.52 -0.13 0.00 -0.02 0.00 0.00 33.50 32.34 2q3n n PRO 107 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2q3n s PHE 108 N -1.06 1.08 1.29 6.00 -0.71 -1.26 -4.95 117.98 118.37 2q3n s PHE 108 Ca 0.04 -0.37 -0.17 0.00 -1.04 0.00 0.00 56.93 55.39 2q3n s PHE 108 Cb 0.03 -0.64 0.32 0.00 -1.21 0.00 0.00 43.02 41.52 2q3n s PHE 108 CO 0.01 0.02 0.86 -0.25 -1.34 0.00 0.00 175.22 174.52 2q3n n ASP 109 N 1.83 -2.80 -0.17 1.98 8.00 -1.26 -2.01 116.55 122.11 2q3n n ASP 109 Ca -0.19 -0.45 0.06 0.00 0.71 0.00 0.00 54.79 54.92 2q3n n ASP 109 Cb 0.55 -1.12 0.10 0.00 -0.02 0.00 0.00 41.12 40.63 2q3n n ASP 109 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2q3n n GLY 110 N 1.49 3.93 3.91 0.44 0.00 -1.26 -4.37 105.19 109.33 2q3n n GLY 110 Ca 0.06 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 2q3n n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q3n s ASN 111 N -1.94 4.40 0.05 1.61 2.20 -1.26 -4.97 114.94 115.03 2q3n s ASN 111 Ca 0.20 0.61 -0.16 0.00 -0.94 0.00 0.00 52.86 52.58 2q3n s ASN 111 Cb 0.17 -1.08 -0.26 0.00 -2.00 0.00 0.00 41.25 38.08 2q3n s ASN 111 CO 0.04 -1.93 1.12 1.88 -2.94 0.00 0.00 177.10 175.26 2q3n h TYR 112 N -1.01 0.92 0.00 1.54 0.99 -1.99 -3.11 116.97 114.32 2q3n h TYR 112 Ca -0.45 -0.54 0.00 0.00 2.00 0.00 0.00 58.73 59.74 2q3n h TYR 112 Cb 1.31 -0.09 0.00 0.00 1.00 0.00 0.00 36.73 38.95 2q3n h TYR 112 CO 0.12 1.38 0.00 -0.40 -0.00 0.00 0.00 178.16 179.26 2q3n n ASP 113 N -3.93 0.00 -0.12 3.88 5.75 -1.26 -0.03 116.55 120.84 2q3n n ASP 113 Ca -0.12 0.09 -0.26 0.00 -0.01 0.00 0.00 54.79 54.49 2q3n n ASP 113 Cb 0.87 -0.24 -0.09 0.00 -1.03 0.00 0.00 41.12 40.63 2q3n n ASP 113 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2q3n n ASP 114 N -1.24 1.74 -0.27 -1.12 2.03 -1.25 -3.49 116.55 112.95 2q3n n ASP 114 Ca 0.05 0.30 0.08 0.00 0.52 0.00 0.00 54.79 55.74 2q3n n ASP 114 Cb 0.07 -0.72 0.22 0.00 -0.72 0.00 0.00 41.12 39.96 2q3n n ASP 114 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2q3n h LEU 115 N -0.89 0.11 0.02 -2.67 3.38 -1.30 0.02 115.31 113.98 2q3n h LEU 115 Ca -0.61 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 2q3n h LEU 115 Cb 1.53 0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.46 2q3n h LEU 115 CO -0.37 -0.02 -0.01 -0.33 0.09 0.00 0.00 178.44 177.79 2q3n h GLU 116 N 0.31 -0.03 -0.73 1.13 5.08 -0.67 0.17 114.58 119.85 2q3n h GLU 116 Ca 0.46 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.98 2q3n h GLU 116 Cb 0.81 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.93 2q3n h GLU 116 CO -0.52 -0.01 -0.02 -0.22 -1.00 0.00 0.00 179.01 177.24 2q3n h LYS 117 N -0.04 0.09 -0.07 2.33 1.63 -1.37 -1.30 116.57 117.84 2q3n h LYS 117 Ca -0.00 -0.01 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 2q3n h LYS 117 Cb 0.03 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 2q3n h LYS 117 CO 0.01 0.06 -0.65 -1.49 -3.45 0.00 0.00 179.45 173.93 2q3n h TRP 118 N 0.09 0.35 -0.00 1.91 6.55 -0.52 -3.02 115.95 121.30 2q3n h TRP 118 Ca 0.39 -0.14 0.00 0.00 0.95 0.00 0.00 58.89 60.09 2q3n h TRP 118 Cb 0.67 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 28.91 2q3n h TRP 118 CO -0.44 0.83 -0.01 0.00 -1.05 0.00 0.00 178.44 177.78 2q3n n ALA 119 N -2.48 2.55 -1.68 1.49 0.00 0.56 -4.44 120.51 116.52 2q3n n ALA 119 Ca -0.03 -0.16 -0.14 0.00 0.00 0.00 0.00 53.44 53.11 2q3n n ALA 119 Cb 0.65 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 18.56 2q3n n ALA 119 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2q3n n HIS 120 N -1.19 -0.59 -3.68 0.00 8.25 -0.70 -4.89 115.22 112.41 2q3n n HIS 120 Ca 0.17 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.52 2q3n n HIS 120 Cb 0.21 -2.77 -0.11 0.00 1.12 0.00 0.00 29.99 28.45 2q3n n HIS 120 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2q3n s GLN 121 N -3.68 0.31 0.84 -0.41 0.74 -1.18 -5.07 119.66 111.22 2q3n s GLN 121 Ca 0.00 0.82 -0.13 0.00 0.05 0.00 0.00 55.36 56.10 2q3n s GLN 121 Cb 0.00 0.06 0.05 0.00 1.10 0.00 0.00 33.01 34.22 2q3n s GLN 121 CO 0.00 -0.20 0.81 0.45 -0.55 0.00 0.00 175.29 175.80 2q3n n SER 122 N 4.73 -0.45 0.17 6.67 2.88 -1.26 -4.66 113.62 121.70 2q3n n SER 122 Ca -0.17 0.49 0.18 0.00 -1.33 0.00 0.00 58.87 58.05 2q3n n SER 122 Cb 0.52 -1.35 0.74 0.00 -0.75 0.00 0.00 64.21 63.38 2q3n n SER 122 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2q3n h ARG 123 N -1.10 0.00 -0.47 -1.46 2.43 -1.95 -2.81 114.38 109.02 2q3n h ARG 123 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2q3n h ARG 123 Cb 1.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 2q3n h ARG 123 CO 0.41 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.87 2q3n n GLN 124 N -3.40 2.53 0.00 0.20 10.64 -1.26 -3.67 117.38 122.41 2q3n n GLN 124 Ca 0.05 -2.34 0.04 0.00 -1.83 0.00 0.00 57.00 52.91 2q3n n GLN 124 Cb 0.57 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 28.42 2q3n n GLN 124 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2q3n n ARG 125 N 1.42 4.49 -3.35 2.61 5.12 -1.06 -4.71 116.66 121.19 2q3n n ARG 125 Ca 0.20 -0.01 -0.39 0.00 -1.93 0.00 0.00 57.85 55.72 2q3n n ARG 125 Cb 0.58 -0.86 -0.08 0.00 -1.16 0.00 0.00 32.46 30.94 2q3n n ARG 125 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2q3n s ILE 126 N -1.70 5.15 0.26 0.55 1.01 -1.24 -5.04 121.20 120.19 2q3n s ILE 126 Ca 0.03 0.68 -0.17 0.00 0.00 0.00 0.00 60.65 61.19 2q3n s ILE 126 Cb 0.06 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.70 2q3n s ILE 126 CO 0.31 0.16 0.71 -0.44 0.00 0.00 0.00 174.94 175.68 2q3n s SER 127 N 1.47 6.92 0.12 3.58 0.01 -1.26 -4.64 113.70 119.91 2q3n s SER 127 Ca 0.18 1.33 0.10 0.00 1.31 0.00 0.00 55.95 58.87 2q3n s SER 127 Cb -0.15 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 2q3n s SER 127 CO 0.09 -0.06 -0.22 -0.76 0.41 0.00 0.00 173.24 172.71 2q3n s LEU 128 N -2.38 2.55 0.00 2.44 1.43 0.20 -4.91 118.68 118.01 2q3n s LEU 128 Ca 0.47 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2q3n s LEU 128 Cb -0.14 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.67 2q3n s LEU 128 CO 0.19 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.56 2q3n n GLY 129 N 0.84 -1.54 0.21 -3.19 0.00 -1.26 0.18 105.19 100.42 2q3n n GLY 129 Ca -0.17 -1.05 -0.07 0.00 0.00 0.00 0.00 46.02 44.74 2q3n n GLY 129 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2q3n h LEU 130 N 0.00 -0.39 -1.89 0.99 5.85 -1.93 -3.12 115.31 114.83 2q3n h LEU 130 Ca 0.00 0.01 0.27 0.00 0.84 0.00 0.00 57.88 59.01 2q3n h LEU 130 Cb 0.00 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2q3n h LEU 130 CO 0.00 0.04 0.77 -0.33 -0.34 0.00 0.00 178.44 178.58 2q3n h GLU 131 N -1.10 0.00 0.00 1.25 5.08 -1.98 1.91 114.58 119.74 2q3n h GLU 131 Ca -0.05 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 2q3n h GLU 131 Cb 0.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2q3n h GLU 131 CO 0.08 0.00 -0.51 0.00 -1.00 0.00 0.00 179.01 177.57 2q3n h ALA 132 N 1.34 0.68 0.19 3.43 0.00 -1.94 -0.92 119.26 122.05 2q3n h ALA 132 Ca 0.45 -0.47 -0.34 0.00 0.00 0.00 0.00 54.91 54.55 2q3n h ALA 132 Cb 1.99 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.71 2q3n h ALA 132 CO -0.00 0.64 -1.68 1.25 0.00 0.00 0.00 179.25 179.46 2q3n h LEU 133 N 0.00 0.63 -1.53 0.00 5.85 0.30 -2.63 115.31 117.92 2q3n h LEU 133 Ca -0.01 -0.87 -0.05 0.00 0.84 0.00 0.00 57.88 57.79 2q3n h LEU 133 Cb 1.36 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 2q3n h LEU 133 CO 0.07 1.73 -0.24 0.03 -0.34 0.00 0.00 178.44 179.68 2q3n h ARG 134 N 0.11 0.00 -0.15 1.25 3.08 -1.06 0.71 114.38 118.32 2q3n h ARG 134 Ca -0.32 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.57 2q3n h ARG 134 Cb 2.10 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.15 2q3n h ARG 134 CO 0.19 0.24 -0.61 -0.56 -1.07 0.00 0.00 179.97 178.16 2q3n h GLN 135 N 0.00 0.52 0.13 0.04 3.07 -1.19 -2.38 115.11 115.29 2q3n h GLN 135 Ca -0.00 -0.36 -0.01 0.00 0.09 0.00 0.00 58.65 58.37 2q3n h GLN 135 Cb 0.44 0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.06 2q3n h GLN 135 CO 0.03 0.97 -0.06 0.78 0.09 0.00 0.00 178.83 180.64 2q3n h GLY 136 N 1.10 -0.18 0.43 0.06 0.00 -0.98 -0.80 103.07 102.71 2q3n h GLY 136 Ca -0.01 0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.43 2q3n h GLY 136 CO 0.11 -0.07 -0.17 -2.22 0.00 0.00 0.00 176.54 174.20 2q3n h ILE 137 N -0.44 0.56 -0.42 2.60 2.04 -0.92 -0.34 117.51 120.59 2q3n h ILE 137 Ca -0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.91 2q3n h ILE 137 Cb 0.35 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 2q3n h ILE 137 CO 0.03 0.00 0.04 0.50 0.00 0.00 0.00 178.15 178.72 2q3n h LYS 138 N -0.21 0.15 0.39 2.37 3.64 -1.39 -0.73 116.57 120.79 2q3n h LYS 138 Ca 0.10 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2q3n h LYS 138 Cb 0.35 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2q3n h LYS 138 CO -0.25 0.10 -0.22 0.35 -2.27 0.00 0.00 179.45 177.15 2q3n h PHE 139 N 0.16 -0.59 -0.78 1.91 3.57 -0.76 -1.86 116.94 118.59 2q3n h PHE 139 Ca 0.21 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.90 2q3n h PHE 139 Cb 0.28 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 2q3n h PHE 139 CO -0.24 -0.34 0.54 -0.07 -2.23 0.00 0.00 178.31 175.97 2q3n h LEU 140 N -0.57 0.18 0.15 0.59 -0.00 -0.91 -1.88 115.31 112.87 2q3n h LEU 140 Ca -0.05 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 2q3n h LEU 140 Cb 0.45 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 2q3n h LEU 140 CO 0.06 0.08 -0.07 -0.09 -0.00 0.00 0.00 178.44 178.42 2q3n h ARG 141 N 0.18 -0.19 -5.98 1.13 1.12 -0.98 -3.36 114.38 106.30 2q3n h ARG 141 Ca 0.39 0.01 -0.46 0.00 -1.11 0.00 0.00 59.98 58.81 2q3n h ARG 141 Cb 1.25 0.04 -0.07 0.00 -0.01 0.00 0.00 29.97 31.18 2q3n h ARG 141 CO -0.07 0.23 1.13 0.45 -3.11 0.00 0.00 179.97 178.60 2q3n s SER 142 N -5.45 5.76 -0.81 -3.80 0.15 -0.71 -4.86 113.70 103.98 2q3n s SER 142 Ca -0.14 -0.76 -0.25 0.00 0.70 0.00 0.00 55.95 55.50 2q3n s SER 142 Cb 0.01 -2.56 -0.09 0.00 -1.71 0.00 0.00 66.02 61.67 2q3n s SER 142 CO 0.55 -2.15 2.20 -0.83 1.20 0.00 0.00 173.24 174.22 2q3n s GLY 143 N 6.42 -0.35 -0.33 9.45 0.00 -1.26 -4.85 107.32 116.40 2q3n s GLY 143 Ca 0.57 -1.04 -0.01 0.00 0.00 0.00 0.00 44.72 44.23 2q3n s GLY 143 CO 0.01 3.89 0.05 0.00 0.00 0.00 0.00 173.10 177.05 2q3n s ALA 144 N 12.51 2.89 -0.97 3.20 0.00 -1.26 -5.04 121.76 133.10 2q3n s ALA 144 Ca 0.83 -2.02 -0.25 0.00 0.00 0.00 0.00 51.96 50.51 2q3n s ALA 144 Cb -0.11 -2.04 -0.13 0.00 0.00 0.00 0.00 23.12 20.84 2q3n s ALA 144 CO 0.06 -1.43 2.13 -1.12 0.00 0.00 0.00 175.76 175.40 2q3n s SER 145 N 1.35 4.26 -0.48 0.00 0.01 -1.26 -4.80 113.70 112.78 2q3n s SER 145 Ca -0.01 -0.72 0.03 0.00 1.31 0.00 0.00 55.95 56.57 2q3n s SER 145 Cb -0.20 -2.57 0.14 0.00 0.21 0.00 0.00 66.02 63.59 2q3n s SER 145 CO -0.03 -3.72 0.26 -0.62 0.41 0.00 0.00 173.24 169.55 2q3n s ASP 146 N 8.77 3.90 0.17 2.44 2.15 -1.26 -5.02 116.67 127.82 2q3n s ASP 146 Ca 0.80 -2.85 -0.19 0.00 0.43 0.00 0.00 52.55 50.74 2q3n s ASP 146 Cb -0.07 -1.27 0.11 0.00 -0.30 0.00 0.00 42.92 41.39 2q3n s ASP 146 CO 0.10 -0.24 1.63 0.44 -0.17 0.00 0.00 175.17 176.92 2q3n h ASP 147 N 6.54 -0.73 -0.83 -0.34 3.32 -1.98 0.16 116.42 122.55 2q3n h ASP 147 Ca -0.02 0.16 0.13 0.00 0.02 0.00 0.00 57.03 57.33 2q3n h ASP 147 Cb 0.90 0.39 -0.14 0.00 0.22 0.00 0.00 39.33 40.71 2q3n h ASP 147 CO 0.57 -0.24 -0.32 1.21 -1.72 0.00 0.00 179.24 178.74 2q3n n GLU 148 N -5.39 -0.19 -0.09 3.56 2.13 -1.26 -0.07 120.64 119.33 2q3n n GLU 148 Ca 0.03 1.29 -0.13 0.00 0.66 0.00 0.00 57.16 59.00 2q3n n GLU 148 Cb 0.30 -1.91 -0.04 0.00 0.27 0.00 0.00 31.44 30.06 2q3n n GLU 148 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2q3n h GLU 149 N 0.00 0.65 -0.90 5.31 4.39 -1.11 -2.97 114.58 119.95 2q3n h GLU 149 Ca 0.30 -0.31 0.10 0.00 0.34 0.00 0.00 59.36 59.79 2q3n h GLU 149 Cb 0.51 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.08 2q3n h GLU 149 CO -0.83 0.91 0.54 0.82 -1.16 0.00 0.00 179.01 179.29 2q3n h ILE 150 N 0.39 0.92 0.02 3.13 2.04 0.11 0.17 117.51 124.28 2q3n h ILE 150 Ca 0.05 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 2q3n h ILE 150 Cb 0.76 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2q3n h ILE 150 CO 0.06 0.16 -0.01 0.00 0.00 0.00 0.00 178.15 178.36 2q3n h ALA 151 N 1.49 -0.89 -0.81 1.87 0.00 -1.17 -0.32 119.26 119.44 2q3n h ALA 151 Ca 0.44 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.48 2q3n h ALA 151 Cb 0.41 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.18 2q3n h ALA 151 CO -0.25 -0.89 -0.28 -2.13 0.00 0.00 0.00 179.25 175.70 2q3n n ARG 152 N -2.18 -0.15 0.17 0.00 0.63 -0.72 0.61 116.66 115.02 2q3n n ARG 152 Ca -0.00 1.25 0.05 0.00 -0.92 0.00 0.00 57.85 58.22 2q3n n ARG 152 Cb 0.01 -1.86 0.23 0.00 0.45 0.00 0.00 32.46 31.29 2q3n n ARG 152 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 2q3n h THR 153 N 0.00 0.84 -0.01 5.15 1.35 -0.71 -2.78 112.91 116.75 2q3n h THR 153 Ca 0.32 -1.75 -0.00 0.00 -0.55 0.00 0.00 66.41 64.42 2q3n h THR 153 Cb 0.52 2.11 -0.00 0.00 -1.73 0.00 0.00 68.15 69.04 2q3n h THR 153 CO -0.81 0.40 0.00 -0.07 -0.25 0.00 0.00 175.52 174.79 2q3n h LEU 154 N 0.00 0.02 -0.91 3.87 3.38 0.20 -2.92 115.31 118.96 2q3n h LEU 154 Ca -0.00 -0.30 0.26 0.00 0.09 0.00 0.00 57.88 57.92 2q3n h LEU 154 Cb 1.07 -0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.67 2q3n h LEU 154 CO 0.05 0.32 0.24 0.40 0.09 0.00 0.00 178.44 179.54 2q3n h ILE 155 N -0.27 0.25 0.29 1.22 2.04 -0.97 0.29 117.51 120.35 2q3n h ILE 155 Ca 0.00 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2q3n h ILE 155 Cb 0.31 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 2q3n h ILE 155 CO 0.00 0.03 -0.19 0.58 0.00 0.00 0.00 178.15 178.57 2q3n h VAL 156 N 0.17 0.60 0.63 1.67 2.07 -1.44 -2.88 116.25 117.06 2q3n h VAL 156 Ca 0.59 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 68.08 2q3n h VAL 156 Cb 1.23 0.60 0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2q3n h VAL 156 CO -0.70 0.00 -0.30 0.40 0.02 0.00 0.00 177.57 176.98 2q3n h ILE 157 N -0.47 0.33 -0.70 4.57 2.04 -0.81 -1.97 117.51 120.50 2q3n h ILE 157 Ca -0.03 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.75 2q3n h ILE 157 Cb 0.40 0.39 -0.10 0.00 -0.74 0.00 0.00 36.82 36.76 2q3n h ILE 157 CO 0.02 0.02 -0.57 0.40 0.00 0.00 0.00 178.15 178.02 2q3n h ILE 158 N -0.96 0.00 -0.05 -0.67 2.04 -1.23 0.67 117.51 117.31 2q3n h ILE 158 Ca -0.09 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.78 2q3n h ILE 158 Cb 0.68 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2q3n h ILE 158 CO 0.14 0.00 -0.11 1.56 0.00 0.00 0.00 178.15 179.74 2q3n h GLN 159 N -0.20 -0.10 0.00 2.37 4.20 -1.48 1.15 115.11 121.05 2q3n h GLN 159 Ca 0.12 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2q3n h GLN 159 Cb 0.50 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.30 2q3n h GLN 159 CO -0.77 -0.07 0.00 -1.33 -0.67 0.00 0.00 178.83 176.00 2q3n n MET 160 N -3.20 0.00 0.05 1.46 2.81 -0.75 -1.41 117.12 116.08 2q3n n MET 160 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2q3n n MET 160 Cb 0.08 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 2q3n n MET 160 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2q3n n VAL 161 N -0.90 0.19 -0.06 2.03 0.31 0.17 -4.71 118.33 115.36 2q3n n VAL 161 Ca 0.00 0.06 -0.13 0.00 -0.01 0.00 0.00 64.34 64.26 2q3n n VAL 161 Cb 0.00 -0.58 -0.07 0.00 -0.91 0.00 0.00 33.84 32.28 2q3n n VAL 161 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2q3n h ALA 162 N 0.00 0.25 0.00 3.52 0.00 0.12 -1.75 119.26 121.40 2q3n h ALA 162 Ca 0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2q3n h ALA 162 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2q3n h ALA 162 CO 0.00 0.17 -0.32 0.93 0.00 0.00 0.00 179.25 180.03 2q3n h GLU 163 N 0.07 0.00 -0.55 0.00 4.39 -1.11 -2.44 114.58 114.95 2q3n h GLU 163 Ca 0.03 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.62 2q3n h GLU 163 Cb 0.72 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 2q3n h GLU 163 CO 0.04 0.32 -0.08 0.00 -1.16 0.00 0.00 179.01 178.13 2q3n h ALA 164 N 1.68 0.81 -0.57 3.43 0.00 -1.15 -2.30 119.26 121.17 2q3n h ALA 164 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2q3n h ALA 164 Cb 0.70 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2q3n h ALA 164 CO 0.04 0.66 0.32 0.00 0.00 0.00 0.00 179.25 180.28 2q3n h ALA 165 N 0.99 1.50 0.10 0.00 0.00 -0.82 -3.30 119.26 117.73 2q3n h ALA 165 Ca 0.15 -0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.72 2q3n h ALA 165 Cb 0.64 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2q3n h ALA 165 CO 0.04 0.42 -1.30 0.00 0.00 0.00 0.00 179.25 178.41 2q3n h ARG 166 N 0.78 0.22 -5.06 0.00 3.08 -1.37 -3.38 114.38 108.65 2q3n h ARG 166 Ca 0.20 -0.38 -0.66 0.00 0.07 0.00 0.00 59.98 59.21 2q3n h ARG 166 Cb 0.00 0.14 -0.31 0.00 0.08 0.00 0.00 29.97 29.88 2q3n h ARG 166 CO -0.04 1.18 -0.79 -0.06 -1.07 0.00 0.00 179.97 179.19 2q3n s PHE 167 N -2.46 2.86 0.56 3.04 0.08 -0.88 0.61 117.98 121.78 2q3n s PHE 167 Ca -0.20 -1.23 0.28 0.00 0.12 0.00 0.00 56.93 55.90 2q3n s PHE 167 Cb 0.04 -1.99 1.47 0.00 -0.57 0.00 0.00 43.02 41.97 2q3n s PHE 167 CO 0.76 -0.63 1.95 -0.09 -0.10 0.00 0.00 175.22 177.11 2q3n h ARG 168 N 7.88 0.00 -0.60 0.44 2.43 -1.04 0.10 114.38 123.59 2q3n h ARG 168 Ca -0.42 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.69 2q3n h ARG 168 Cb 1.16 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 2q3n h ARG 168 CO 0.61 0.00 0.11 -0.92 -1.51 0.00 0.00 179.97 178.26 2q3n h TYR 169 N 0.00 1.00 0.00 2.20 3.20 -1.92 -2.84 116.97 118.61 2q3n h TYR 169 Ca 0.25 -0.12 -0.17 0.00 3.14 0.00 0.00 58.73 61.83 2q3n h TYR 169 Cb 1.14 -0.28 0.01 0.00 1.54 0.00 0.00 36.73 39.14 2q3n h TYR 169 CO 0.00 0.84 -0.68 0.28 -1.64 0.00 0.00 178.16 176.96 2q3n h VAL 170 N 0.90 1.41 -0.64 1.81 2.07 -1.26 -2.94 116.25 117.61 2q3n h VAL 170 Ca 0.19 -2.12 0.07 0.00 0.82 0.00 0.00 66.70 65.66 2q3n h VAL 170 Cb 0.37 2.59 -0.10 0.00 -1.52 0.00 0.00 31.29 32.63 2q3n h VAL 170 CO 0.01 0.62 -0.55 0.77 0.02 0.00 0.00 177.57 178.44 2q3n h SER 171 N -0.04 -1.92 -0.14 0.57 4.64 -1.51 -1.19 113.55 113.97 2q3n h SER 171 Ca -0.09 0.28 0.04 0.00 -0.47 0.00 0.00 61.79 61.55 2q3n h SER 171 Cb 1.39 0.82 -0.04 0.00 -0.31 0.00 0.00 62.40 64.26 2q3n h SER 171 CO 0.13 -0.34 -0.11 0.11 -0.87 0.00 0.00 176.83 175.76 2q3n h LYS 172 N -0.24 -0.11 -0.78 4.77 6.56 -1.58 0.20 116.57 125.39 2q3n h LYS 172 Ca 0.12 0.01 0.16 0.00 -1.06 0.00 0.00 60.65 59.88 2q3n h LYS 172 Cb 0.53 0.03 -0.11 0.00 -0.57 0.00 0.00 32.23 32.11 2q3n h LYS 172 CO -0.73 -0.08 0.27 -0.07 -2.06 0.00 0.00 179.45 176.78 2q3n h LEU 173 N -0.12 0.18 0.59 2.94 3.38 -1.31 1.19 115.31 122.17 2q3n h LEU 173 Ca 0.09 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 2q3n h LEU 173 Cb 0.25 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2q3n h LEU 173 CO -0.21 0.03 -0.31 0.58 0.09 0.00 0.00 178.44 178.62 2q3n h VAL 174 N 0.37 0.37 -0.63 1.22 2.07 -0.35 -2.06 116.25 117.24 2q3n h VAL 174 Ca 0.44 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.03 2q3n h VAL 174 Cb 0.74 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2q3n h VAL 174 CO -0.47 0.00 0.42 0.58 0.02 0.00 0.00 177.57 178.11 2q3n h VAL 175 N -0.83 0.98 -0.23 2.57 2.07 0.21 -0.06 116.25 120.96 2q3n h VAL 175 Ca -0.08 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 2q3n h VAL 175 Cb 0.65 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2q3n h VAL 175 CO 0.11 0.11 0.04 0.40 0.02 0.00 0.00 177.57 178.25 2q3n h ILE 176 N 0.58 1.22 -0.47 4.57 2.04 0.14 -2.01 117.51 123.58 2q3n h ILE 176 Ca 0.28 -0.74 0.09 0.00 1.00 0.00 0.00 64.86 65.49 2q3n h ILE 176 Cb 0.34 1.28 -0.10 0.00 -0.74 0.00 0.00 36.82 37.59 2q3n h ILE 176 CO -0.08 0.23 -0.24 -1.28 0.00 0.00 0.00 178.15 176.78 2q3n h SER 177 N 0.18 -0.82 -0.27 1.72 0.87 -0.30 0.36 113.55 115.28 2q3n h SER 177 Ca 0.07 0.18 0.04 0.00 -1.23 0.00 0.00 61.79 60.85 2q3n h SER 177 Cb 0.31 0.43 -0.04 0.00 -0.44 0.00 0.00 62.40 62.67 2q3n h SER 177 CO 0.00 -0.26 0.02 -0.07 -0.53 0.00 0.00 176.83 175.99 2q3n h LEU 178 N -0.14 -0.06 -0.60 2.23 4.07 -1.12 1.27 115.31 120.97 2q3n h LEU 178 Ca 0.22 0.05 -0.15 0.00 0.08 0.00 0.00 57.88 58.08 2q3n h LEU 178 Cb 0.48 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 2q3n h LEU 178 CO -0.55 0.00 -0.48 0.77 -1.08 0.00 0.00 178.44 177.10 2q3n h SER 179 N 0.11 0.59 1.30 -0.43 4.64 -0.99 -2.95 113.55 115.82 2q3n h SER 179 Ca 0.13 -0.29 -0.08 0.00 -0.47 0.00 0.00 61.79 61.08 2q3n h SER 179 Cb 0.15 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2q3n h SER 179 CO -0.20 0.98 -0.39 0.78 -0.87 0.00 0.00 176.83 177.13 2q3n h ASN 180 N 0.43 0.00 -6.61 4.97 2.35 0.32 -3.48 115.58 113.56 2q3n h ASN 180 Ca 0.02 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.25 2q3n h ASN 180 Cb 1.00 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.40 2q3n h ASN 180 CO 0.09 0.39 -0.98 -2.11 -1.65 0.00 0.00 177.43 173.17 2q3n n ARG 181 N -3.30 -0.77 -3.70 0.81 1.85 0.43 -5.03 116.66 106.96 2q3n n ARG 181 Ca 0.01 0.25 -0.12 0.00 -1.00 0.00 0.00 57.85 57.00 2q3n n ARG 181 Cb 0.62 -3.31 -0.09 0.00 -1.05 0.00 0.00 32.46 28.62 2q3n n ARG 181 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2q3n s ALA 182 N -3.53 -1.23 0.71 2.89 0.00 -1.16 -5.06 121.76 114.38 2q3n s ALA 182 Ca 0.47 1.53 -0.14 0.00 0.00 0.00 0.00 51.96 53.82 2q3n s ALA 182 Cb -0.21 -0.90 0.03 0.00 0.00 0.00 0.00 23.12 22.03 2q3n s ALA 182 CO 0.92 -0.26 1.12 0.00 0.00 0.00 0.00 175.76 177.54 2q3n s ALA 183 N 0.74 2.31 0.02 0.00 0.00 -1.26 -4.55 121.76 119.03 2q3n s ALA 183 Ca -0.04 0.52 -0.02 0.00 0.00 0.00 0.00 51.96 52.42 2q3n s ALA 183 Cb -0.05 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 2q3n s ALA 183 CO -0.05 -1.56 0.01 -0.59 0.00 0.00 0.00 175.76 173.56 2q3n s PHE 184 N -2.46 0.24 0.04 0.00 -0.71 0.13 -4.91 117.98 110.30 2q3n s PHE 184 Ca 0.66 -0.51 0.02 0.00 -1.04 0.00 0.00 56.93 56.06 2q3n s PHE 184 Cb -0.21 -0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.38 2q3n s PHE 184 CO 0.47 -0.24 0.05 -0.65 -1.34 0.00 0.00 175.22 173.51 2q3n s GLN 185 N -1.78 2.87 0.25 1.99 -0.21 -1.26 0.59 119.66 122.10 2q3n s GLN 185 Ca -0.13 -0.63 -0.30 0.00 0.02 0.00 0.00 55.36 54.33 2q3n s GLN 185 Cb -0.07 -2.73 -0.09 0.00 1.00 0.00 0.00 33.01 31.12 2q3n s GLN 185 CO -0.02 0.60 1.25 -2.14 -2.12 0.00 0.00 175.29 172.86 2q3n s PRO 186 N -1.98 4.45 0.56 2.91 0.02 -1.26 -5.00 135.00 134.70 2q3n s PRO 186 Ca 0.24 2.02 -0.05 0.00 0.02 0.00 0.00 61.00 63.24 2q3n s PRO 186 Cb -0.12 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.24 2q3n s PRO 186 CO 0.16 -0.12 0.86 0.16 -0.33 0.00 0.00 177.00 177.74 2q3n s ASP 187 N -0.17 5.70 0.24 2.53 1.47 -1.26 -4.81 116.67 120.37 2q3n s ASP 187 Ca 0.51 0.69 0.07 0.00 1.18 0.00 0.00 52.55 55.01 2q3n s ASP 187 Cb -0.36 -1.74 0.72 0.00 -0.34 0.00 0.00 42.92 41.19 2q3n s ASP 187 CO 0.43 -0.97 1.10 -2.65 0.68 0.00 0.00 175.17 173.76 2q3n n PRO 188 N -2.49 -0.05 -0.37 2.11 -0.02 -1.26 -0.78 135.00 132.13 2q3n n PRO 188 Ca 0.04 1.01 -0.02 0.00 -2.02 0.00 0.00 63.50 62.51 2q3n n PRO 188 Cb 0.57 -1.70 0.11 0.00 -0.02 0.00 0.00 33.50 32.46 2q3n n PRO 188 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2q3n h SER 189 N 0.00 1.15 -0.03 2.55 0.02 -1.79 -2.37 113.55 113.08 2q3n h SER 189 Ca 0.50 -0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 61.27 2q3n h SER 189 Cb 1.19 -0.29 0.01 0.00 0.14 0.00 0.00 62.40 63.45 2q3n h SER 189 CO -0.60 0.83 -0.54 -0.03 -1.14 0.00 0.00 176.83 175.35 2q3n h MET 190 N 1.35 0.42 -1.00 3.45 1.85 -1.26 -3.25 114.93 116.50 2q3n h MET 190 Ca 0.36 -0.41 0.04 0.00 -0.61 0.00 0.00 59.70 59.08 2q3n h MET 190 Cb -0.15 0.11 -0.06 0.00 0.43 0.00 0.00 31.60 31.93 2q3n h MET 190 CO -0.08 1.07 0.65 -0.07 -0.40 0.00 0.00 176.91 178.08 2q3n h LEU 191 N -0.07 1.08 0.00 3.39 3.38 -1.33 -1.74 115.31 120.02 2q3n h LEU 191 Ca -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2q3n h LEU 191 Cb 1.23 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2q3n h LEU 191 CO 0.11 0.73 -0.03 0.28 0.09 0.00 0.00 178.44 179.61 2q3n h SER 192 N 1.25 -0.11 -0.83 -0.43 0.02 -1.51 0.40 113.55 112.35 2q3n h SER 192 Ca 0.40 0.01 0.19 0.00 -0.84 0.00 0.00 61.79 61.55 2q3n h SER 192 Cb 0.02 0.04 -0.15 0.00 0.14 0.00 0.00 62.40 62.45 2q3n h SER 192 CO -0.13 -0.03 -0.06 -0.07 -1.14 0.00 0.00 176.83 175.39 2q3n h LEU 193 N -0.04 -0.52 0.19 5.07 3.38 -1.51 0.40 115.31 122.28 2q3n h LEU 193 Ca 0.00 0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.21 2q3n h LEU 193 Cb 0.05 0.43 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2q3n h LEU 193 CO -0.02 -0.24 -0.39 -0.33 0.09 0.00 0.00 178.44 177.54 2q3n h GLU 194 N 0.05 -0.65 0.00 1.13 5.08 -1.08 -2.92 114.58 116.20 2q3n h GLU 194 Ca 0.44 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 2q3n h GLU 194 Cb 0.78 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2q3n h GLU 194 CO -0.78 -0.43 0.00 0.09 -1.00 0.00 0.00 179.01 176.89 2q3n n ASN 195 N -5.46 0.00 -1.60 1.42 3.02 0.14 -3.70 115.26 109.08 2q3n n ASN 195 Ca -0.08 -0.46 0.03 0.00 -0.03 0.00 0.00 54.58 54.04 2q3n n ASN 195 Cb 0.37 -0.03 0.04 0.00 -0.61 0.00 0.00 39.78 39.55 2q3n n ASN 195 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2q3n n THR 196 N -1.03 0.35 -0.07 3.41 -1.04 -0.30 -4.88 114.28 110.71 2q3n n THR 196 Ca 0.12 -1.44 -0.15 0.00 -2.04 0.00 0.00 64.05 60.55 2q3n n THR 196 Cb 0.07 0.92 -0.13 0.00 -1.82 0.00 0.00 70.33 69.37 2q3n n THR 196 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 2q3n h TRP 197 N 1.21 0.00 0.14 -1.42 7.01 -1.63 -2.64 115.95 118.62 2q3n h TRP 197 Ca -0.20 0.00 0.01 0.00 2.11 0.00 0.00 58.89 60.81 2q3n h TRP 197 Cb 1.75 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 28.77 2q3n h TRP 197 CO 0.27 1.05 -0.51 0.93 -2.79 0.00 0.00 178.44 177.39 2q3n h GLU 198 N -1.00 -0.72 -0.20 2.65 5.08 -1.89 0.27 114.58 118.76 2q3n h GLU 198 Ca -0.05 0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2q3n h GLU 198 Cb 1.03 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2q3n h GLU 198 CO -0.03 -0.48 -0.11 -1.00 -1.00 0.00 0.00 179.01 176.39 2q3n h PRO 199 N -0.75 0.31 -0.14 2.33 0.13 -1.93 -0.67 132.00 131.29 2q3n h PRO 199 Ca -0.01 -0.07 -0.19 0.00 -0.87 0.00 0.00 66.00 64.85 2q3n h PRO 199 Cb 0.74 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2q3n h PRO 199 CO -0.26 0.43 -0.69 1.25 -0.23 0.00 0.00 178.00 178.50 2q3n h LEU 200 N 0.30 0.70 -0.78 1.56 5.85 -1.39 -2.52 115.31 119.03 2q3n h LEU 200 Ca 0.06 -0.44 0.05 0.00 0.84 0.00 0.00 57.88 58.40 2q3n h LEU 200 Cb 0.38 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2q3n h LEU 200 CO 0.02 1.20 0.48 0.28 -0.34 0.00 0.00 178.44 180.08 2q3n h SER 201 N 0.43 0.76 0.15 1.25 0.02 0.97 -2.55 113.55 114.59 2q3n h SER 201 Ca -0.03 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.74 2q3n h SER 201 Cb 1.28 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 2q3n h SER 201 CO 0.13 0.50 -0.74 -0.09 -1.14 0.00 0.00 176.83 175.49 2q3n h ARG 202 N 0.90 0.51 0.00 3.45 2.43 -1.26 -3.09 114.38 117.32 2q3n h ARG 202 Ca 0.33 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2q3n h ARG 202 Cb 0.12 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2q3n h ARG 202 CO -0.15 1.05 0.00 0.00 -1.51 0.00 0.00 179.97 179.35 2q3n n ALA 203 N -2.54 -0.23 -0.14 2.80 0.00 -0.95 -1.46 120.51 118.00 2q3n n ALA 203 Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.48 2q3n n ALA 203 Cb 0.72 0.11 0.18 0.00 0.00 0.00 0.00 19.45 20.46 2q3n n ALA 203 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2q3n n VAL 204 N -1.65 -0.18 0.11 0.00 0.31 -0.99 -0.74 118.33 115.20 2q3n n VAL 204 Ca 0.00 0.90 -0.18 0.00 -0.01 0.00 0.00 64.34 65.05 2q3n n VAL 204 Cb 0.00 -1.38 -0.14 0.00 -0.91 0.00 0.00 33.84 31.41 2q3n n VAL 204 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2q3n h GLN 205 N 0.00 0.33 0.00 5.55 4.20 -1.36 -3.22 115.11 120.62 2q3n h GLN 205 Ca 0.30 -0.57 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2q3n h GLN 205 Cb 0.71 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.70 2q3n h GLN 205 CO -0.37 1.27 0.00 0.72 -0.67 0.00 0.00 178.83 179.79 2q3n n HIS 206 N -3.57 0.00 -1.58 2.96 8.25 0.08 -4.70 115.22 116.65 2q3n n HIS 206 Ca -0.10 0.00 -0.52 0.00 -0.26 0.00 0.00 57.72 56.83 2q3n n HIS 206 Cb 1.04 -0.46 -0.06 0.00 1.12 0.00 0.00 29.99 31.63 2q3n n HIS 206 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2q3n n THR 207 N -1.46 0.03 0.00 1.59 -1.04 -0.95 -4.80 114.28 107.65 2q3n n THR 207 Ca 0.07 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2q3n n THR 207 Cb 0.27 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 2q3n n THR 207 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2q3n n VAL 208 N 2.43 0.00 -1.15 12.58 0.24 -1.13 -4.74 118.33 126.55 2q3n n VAL 208 Ca 0.18 0.05 -0.20 0.00 -2.04 0.00 0.00 64.34 62.33 2q3n n VAL 208 Cb 0.19 -0.85 -0.02 0.00 -1.47 0.00 0.00 33.84 31.69 2q3n n VAL 208 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2q3n n GLN 209 N -1.81 2.06 -1.94 7.34 1.13 -1.26 -4.67 117.38 118.23 2q3n n GLN 209 Ca 0.00 -1.81 -0.13 0.00 -1.94 0.00 0.00 57.00 53.11 2q3n n GLN 209 Cb 0.00 -1.86 -0.02 0.00 0.11 0.00 0.00 30.24 28.46 2q3n n GLN 209 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2q3n n ASP 210 N 0.80 -4.33 -4.08 1.08 2.03 -1.26 -4.99 116.55 105.81 2q3n n ASP 210 Ca 0.39 0.11 -0.25 0.00 0.52 0.00 0.00 54.79 55.56 2q3n n ASP 210 Cb 0.59 -3.32 -0.16 0.00 -0.72 0.00 0.00 41.12 37.51 2q3n n ASP 210 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2q3n s THR 211 N -2.61 1.26 0.15 5.18 2.01 -1.26 -3.01 115.64 117.36 2q3n s THR 211 Ca 0.00 -0.59 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 2q3n s THR 211 Cb 0.00 -1.11 -0.07 0.00 0.01 0.00 0.00 72.50 71.33 2q3n s THR 211 CO 0.00 0.37 1.12 -0.36 -0.69 0.00 0.00 174.62 175.06 2q3n s PHE 212 N 0.32 3.56 -1.03 4.92 0.08 0.36 -2.82 117.98 123.37 2q3n s PHE 212 Ca -0.09 1.54 0.24 0.00 0.12 0.00 0.00 56.93 58.75 2q3n s PHE 212 Cb -0.13 -3.30 1.06 0.00 -0.57 0.00 0.00 43.02 40.08 2q3n s PHE 212 CO 0.03 -0.72 1.78 -2.30 -0.10 0.00 0.00 175.22 173.91 2q3n n PRO 213 N 2.74 0.03 -3.80 0.24 -0.02 -1.26 -4.60 135.00 128.33 2q3n n PRO 213 Ca 0.04 0.08 -0.14 0.00 -2.02 0.00 0.00 63.50 61.46 2q3n n PRO 213 Cb 0.46 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.29 2q3n n PRO 213 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2q3n s GLN 214 N -2.97 -0.01 -0.04 -0.52 1.11 -1.26 -5.12 119.66 110.86 2q3n s GLN 214 Ca 0.13 0.15 -0.30 0.00 0.01 0.00 0.00 55.36 55.35 2q3n s GLN 214 Cb 0.16 -0.16 -0.06 0.00 -1.01 0.00 0.00 33.01 31.95 2q3n s GLN 214 CO 0.44 -0.11 1.60 -0.80 0.01 0.00 0.00 175.29 176.43 2q3n s ASN 215 N 0.73 6.70 -0.06 5.90 0.01 -1.26 -4.92 114.94 122.04 2q3n s ASN 215 Ca -0.06 2.22 -0.22 0.00 -0.71 0.00 0.00 52.86 54.09 2q3n s ASN 215 Cb -0.09 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 2q3n s ASN 215 CO -0.02 -0.89 0.63 -0.69 -1.51 0.00 0.00 177.10 174.62 2q3n s VAL 216 N 3.63 5.04 -0.26 1.60 1.01 -0.83 -4.89 120.40 125.70 2q3n s VAL 216 Ca 0.71 1.30 0.00 0.00 0.00 0.00 0.00 61.98 64.00 2q3n s VAL 216 Cb -0.33 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.12 2q3n s VAL 216 CO 0.29 0.31 -0.08 -0.89 0.00 0.00 0.00 175.10 174.73 2q3n s THR 217 N 0.51 2.55 0.37 3.92 2.01 -1.26 -0.11 115.64 123.64 2q3n s THR 217 Ca 0.34 -1.35 0.06 0.00 0.31 0.00 0.00 61.69 61.05 2q3n s THR 217 Cb -0.17 -2.40 -0.00 0.00 0.01 0.00 0.00 72.50 69.93 2q3n s THR 217 CO 0.16 0.06 0.52 -0.76 -0.69 0.00 0.00 174.62 173.92 2q3n s LEU 218 N 1.22 3.84 -0.07 4.42 1.43 0.39 -4.93 118.68 124.98 2q3n s LEU 218 Ca -0.04 -0.22 0.05 0.00 -1.03 0.00 0.00 54.13 52.88 2q3n s LEU 218 Cb -0.18 -2.75 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 2q3n s LEU 218 CO -0.05 -0.57 -0.23 -0.63 0.23 0.00 0.00 176.35 175.11 2q3n s ILE 219 N -2.27 2.24 0.35 -0.59 -1.09 -1.26 -0.97 121.20 117.61 2q3n s ILE 219 Ca 0.49 -0.99 0.05 0.00 -2.23 0.00 0.00 60.65 57.96 2q3n s ILE 219 Cb -0.10 -1.84 -0.01 0.00 -1.58 0.00 0.00 42.46 38.94 2q3n s ILE 219 CO 0.32 0.57 0.50 0.54 -1.23 0.00 0.00 174.94 175.64 2q3n s ASN 220 N -0.10 5.99 0.41 3.58 4.22 -0.76 -3.46 114.94 124.81 2q3n s ASN 220 Ca -0.05 -0.05 0.26 0.00 -2.14 0.00 0.00 52.86 50.88 2q3n s ASN 220 Cb -0.14 -1.38 1.37 0.00 1.28 0.00 0.00 41.25 42.38 2q3n s ASN 220 CO 0.04 -0.44 1.61 -0.37 -2.04 0.00 0.00 177.10 175.91 2q3n h VAL 221 N 0.83 0.11 -1.64 3.54 -1.51 -1.92 0.29 116.25 115.95 2q3n h VAL 221 Ca -0.47 -0.03 -0.67 0.00 -1.23 0.00 0.00 66.70 64.30 2q3n h VAL 221 Cb 1.25 0.01 -0.23 0.00 -2.13 0.00 0.00 31.29 30.19 2q3n h VAL 221 CO 0.55 0.02 0.84 -2.11 -1.23 0.00 0.00 177.57 175.63 2q3n n ARG 222 N -4.87 2.73 -3.34 5.19 1.85 -1.26 -4.73 116.66 112.23 2q3n n ARG 222 Ca 0.37 -3.11 -0.24 0.00 -1.00 0.00 0.00 57.85 53.87 2q3n n ARG 222 Cb 1.36 -2.23 -0.05 0.00 -1.05 0.00 0.00 32.46 30.48 2q3n n ARG 222 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2q3n n GLN 223 N 0.05 -0.85 -3.95 2.89 6.02 0.10 -4.92 117.38 116.73 2q3n n GLN 223 Ca 0.52 0.08 -0.21 0.00 -0.01 0.00 0.00 57.00 57.38 2q3n n GLN 223 Cb 0.35 -2.67 -0.03 0.00 1.02 0.00 0.00 30.24 28.90 2q3n n GLN 223 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2q3n s GLU 224 N -4.83 2.96 -0.18 -1.09 2.02 -1.25 -4.90 118.70 111.44 2q3n s GLU 224 Ca 0.42 -1.08 -0.15 0.00 0.02 0.00 0.00 54.97 54.18 2q3n s GLU 224 Cb -0.24 -2.61 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 2q3n s GLU 224 CO 0.60 0.29 0.35 1.03 0.02 0.00 0.00 175.26 177.55 2q3n s ARG 225 N -3.94 4.22 -0.26 1.61 0.52 -1.26 -1.83 118.95 118.01 2q3n s ARG 225 Ca 0.36 0.16 -0.08 0.00 -0.52 0.00 0.00 55.73 55.65 2q3n s ARG 225 Cb -0.08 -3.48 -0.03 0.00 0.52 0.00 0.00 34.95 31.88 2q3n s ARG 225 CO 0.27 0.10 0.10 0.08 0.02 0.00 0.00 175.30 175.87 2q3n s VAL 226 N 0.88 4.58 -0.34 3.52 1.01 -0.14 -4.97 120.40 124.94 2q3n s VAL 226 Ca 0.18 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.02 2q3n s VAL 226 Cb -0.14 -3.16 0.04 0.00 0.00 0.00 0.00 36.38 33.13 2q3n s VAL 226 CO 0.06 0.32 0.11 -0.69 0.00 0.00 0.00 175.10 174.90 2q3n s VAL 227 N 1.65 3.75 -0.34 2.92 1.01 -1.26 -0.46 120.40 127.66 2q3n s VAL 227 Ca 0.07 -1.19 -0.14 0.00 0.00 0.00 0.00 61.98 60.71 2q3n s VAL 227 Cb -0.15 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 2q3n s VAL 227 CO 0.06 -0.21 0.30 -0.69 0.00 0.00 0.00 175.10 174.56 2q3n s VAL 228 N 1.39 5.23 -0.90 2.92 1.01 0.85 -4.91 120.40 125.97 2q3n s VAL 228 Ca -0.01 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 61.94 2q3n s VAL 228 Cb -0.20 -3.77 0.06 0.00 0.00 0.00 0.00 36.38 32.47 2q3n s VAL 228 CO 0.02 -0.06 0.73 -1.20 0.00 0.00 0.00 175.10 174.60 2q3n n SER 229 N 5.24 1.61 -4.01 3.32 7.64 -1.26 -1.97 113.62 124.20 2q3n n SER 229 Ca -0.11 -1.31 -0.25 0.00 1.01 0.00 0.00 58.87 58.21 2q3n n SER 229 Cb 0.49 -0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.53 2q3n n SER 229 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2q3n s SER 230 N -0.61 1.85 0.61 6.43 0.15 -1.26 0.14 113.70 121.01 2q3n s SER 230 Ca 0.08 -0.30 0.26 0.00 0.70 0.00 0.00 55.95 56.70 2q3n s SER 230 Cb 0.06 -0.84 1.01 0.00 -1.71 0.00 0.00 66.02 64.55 2q3n s SER 230 CO 0.09 0.01 1.41 0.25 1.20 0.00 0.00 173.24 176.20 2q3n h LEU 231 N 7.17 0.00 -0.50 3.45 7.12 -1.88 0.19 115.31 130.86 2q3n h LEU 231 Ca -0.31 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.70 2q3n h LEU 231 Cb 1.18 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.31 2q3n h LEU 231 CO 0.47 0.00 -0.08 -1.20 -0.13 0.00 0.00 178.44 177.50 2q3n n SER 232 N -3.30 0.85 -4.77 1.25 7.64 -1.26 -4.91 113.62 109.12 2q3n n SER 232 Ca 0.20 -1.03 -0.39 0.00 1.01 0.00 0.00 58.87 58.66 2q3n n SER 232 Cb 1.34 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 64.53 2q3n n SER 232 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2q3n s HIS 233 N -2.23 3.00 0.11 1.43 5.04 0.66 -4.96 115.29 118.34 2q3n s HIS 233 Ca 0.35 1.52 -0.29 0.00 -1.54 0.00 0.00 55.06 55.09 2q3n s HIS 233 Cb 0.21 -3.47 -0.10 0.00 0.04 0.00 0.00 32.58 29.26 2q3n s HIS 233 CO 0.42 -1.52 1.62 -1.35 -2.34 0.00 0.00 174.74 171.56 2q3n h PRO 234 N 2.65 -0.59 -0.89 2.88 0.11 -1.91 -2.97 132.00 131.27 2q3n h PRO 234 Ca -0.49 0.04 0.20 0.00 0.11 0.00 0.00 66.00 65.86 2q3n h PRO 234 Cb 1.24 0.13 -0.17 0.00 0.11 0.00 0.00 31.00 32.32 2q3n h PRO 234 CO 0.62 -0.39 -0.13 0.66 -0.21 0.00 0.00 178.00 178.55 2q3n h SER 235 N -0.61 -0.68 -1.83 -2.05 4.64 -1.96 0.94 113.55 112.00 2q3n h SER 235 Ca 0.01 0.26 0.55 0.00 -0.47 0.00 0.00 61.79 62.14 2q3n h SER 235 Cb 0.60 0.51 -0.09 0.00 -0.31 0.00 0.00 62.40 63.11 2q3n h SER 235 CO -0.14 -0.29 1.30 0.58 -0.87 0.00 0.00 176.83 177.41 2q3n h VAL 236 N 0.02 0.02 -0.02 0.95 2.07 -1.84 1.45 116.25 118.89 2q3n h VAL 236 Ca 0.46 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.99 2q3n h VAL 236 Cb 0.79 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2q3n h VAL 236 CO -0.88 0.00 0.03 0.77 0.02 0.00 0.00 177.57 177.51 2q3n h SER 237 N 0.00 0.00 -0.00 0.57 4.64 -0.95 -2.37 113.55 115.44 2q3n h SER 237 Ca 0.92 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.24 2q3n h SER 237 Cb 3.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 65.63 2q3n h SER 237 CO -0.11 0.00 0.01 0.00 -0.87 0.00 0.00 176.83 175.86 2q3n h ALA 238 N 1.95 1.24 -2.40 5.18 0.00 0.18 -3.42 119.26 122.00 2q3n h ALA 238 Ca 0.01 -0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.33 2q3n h ALA 238 Cb 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 2q3n h ALA 238 CO -0.00 -0.01 0.33 -1.17 0.00 0.00 0.00 179.25 178.40 2q3n s LEU 239 N -6.82 4.12 -0.01 0.00 2.96 -0.89 -0.51 118.68 117.51 2q3n s LEU 239 Ca -0.05 0.98 0.07 0.00 -0.22 0.00 0.00 54.13 54.91 2q3n s LEU 239 Cb 0.14 -3.09 -0.10 0.00 0.50 0.00 0.00 46.19 43.63 2q3n s LEU 239 CO 0.47 -0.41 0.14 0.00 -1.32 0.00 0.00 176.35 175.23 2q3n n ALA 240 N 5.56 2.23 -3.63 5.97 0.00 0.20 -4.87 120.51 125.97 2q3n n ALA 240 Ca 0.03 -0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 2q3n n ALA 240 Cb 0.48 -0.21 -0.14 0.00 0.00 0.00 0.00 19.45 19.58 2q3n n ALA 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2q3n s LEU 241 N -3.54 -0.17 -0.11 0.00 1.43 -1.01 -4.32 118.68 110.97 2q3n s LEU 241 Ca -0.03 0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 2q3n s LEU 241 Cb 0.04 0.46 -0.05 0.00 0.03 0.00 0.00 46.19 46.68 2q3n s LEU 241 CO 0.28 -0.26 0.24 -0.04 0.23 0.00 0.00 176.35 176.80 2q3n s MET 242 N 2.35 3.82 0.34 1.70 -1.94 0.09 -4.84 119.30 120.82 2q3n s MET 242 Ca 0.03 0.04 -0.29 0.00 -1.71 0.00 0.00 55.69 53.77 2q3n s MET 242 Cb -0.13 -3.27 -0.11 0.00 2.01 0.00 0.00 34.83 33.33 2q3n s MET 242 CO -0.08 0.59 1.41 -1.17 -0.01 0.00 0.00 175.02 175.76 2q3n s LEU 243 N -0.56 4.37 0.11 -0.03 0.20 -1.26 0.18 118.68 121.69 2q3n s LEU 243 Ca 0.17 2.85 -0.31 0.00 0.69 0.00 0.00 54.13 57.54 2q3n s LEU 243 Cb -0.13 -3.65 -0.07 0.00 -0.43 0.00 0.00 46.19 41.91 2q3n s LEU 243 CO 0.06 -0.72 1.24 0.12 -0.29 0.00 0.00 176.35 176.76 2q3n s PHE 244 N -0.95 3.39 0.00 5.38 5.36 -1.26 -4.72 117.98 125.19 2q3n s PHE 244 Ca 0.52 1.26 0.00 0.00 -0.96 0.00 0.00 56.93 57.76 2q3n s PHE 244 Cb -0.43 -3.48 0.00 0.00 -0.34 0.00 0.00 43.02 38.77 2q3n s PHE 244 CO 0.56 -1.49 0.00 1.55 -1.46 0.00 0.00 175.22 174.38 2q3n n VAL 245 N 3.50 0.00 -3.57 3.12 3.14 -1.26 -4.98 118.33 118.28 2q3n n VAL 245 Ca 0.08 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.37 2q3n n VAL 245 Cb 0.45 -0.49 -0.04 0.00 -1.06 0.00 0.00 33.84 32.70 2q3n n VAL 245 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2q3n s ASN 247 N -1.45 7.16 0.00 0.00 0.02 -1.26 -4.94 114.94 114.48 2q3n s ASN 247 Ca 0.01 1.48 0.25 0.00 -1.02 0.00 0.00 52.86 53.58 2q3n s ASN 247 Cb -0.01 -2.44 0.37 0.00 0.02 0.00 0.00 41.25 39.19 2q3n s ASN 247 CO -0.02 0.10 1.36 -0.81 0.02 0.00 0.00 177.10 177.76