#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3s n ALA 2 N 0.00 1.27 -3.11 7.33 0.00 -1.26 -4.98 120.51 119.76 2q3s n ALA 2 Ca 0.00 0.40 -0.11 0.00 0.00 0.00 0.00 53.44 53.73 2q3s n ALA 2 Cb 0.00 -2.29 -0.05 0.00 0.00 0.00 0.00 19.45 17.11 2q3s n ALA 2 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2q3s s SER 3 N 0.23 -0.30 -1.14 0.00 1.04 -1.26 -5.05 113.70 107.21 2q3s s SER 3 Ca 0.66 -0.17 -0.21 0.00 0.48 0.00 0.00 55.95 56.71 2q3s s SER 3 Cb -0.62 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.02 2q3s s SER 3 CO 0.51 -0.82 1.63 -0.36 0.98 0.00 0.00 173.24 175.18 2q3s s PHE 4 N -3.41 2.57 -0.29 5.02 0.40 -1.26 -4.73 117.98 116.27 2q3s s PHE 4 Ca 0.00 -1.03 0.11 0.00 -0.60 0.00 0.00 56.93 55.41 2q3s s PHE 4 Cb 0.01 -4.65 0.60 0.00 0.51 0.00 0.00 43.02 39.48 2q3s s PHE 4 CO -0.09 -1.84 1.60 -0.40 0.70 0.00 0.00 175.22 175.20 2q3s n ASP 5 N 9.25 3.63 -1.44 1.36 5.75 -1.25 -4.60 116.55 129.25 2q3s n ASP 5 Ca 0.41 -3.41 0.00 0.00 -0.01 0.00 0.00 54.79 51.77 2q3s n ASP 5 Cb 0.48 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 2q3s n ASP 5 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2q3s n GLY 6 N -0.72 1.38 3.64 6.12 0.00 -0.21 -5.02 105.19 110.38 2q3s n GLY 6 Ca 0.36 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 2q3s n GLY 6 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2q3s n PRO 7 N -0.61 1.47 -5.01 1.61 -0.04 -1.26 -4.45 135.00 126.70 2q3s n PRO 7 Ca 0.00 0.53 -0.32 0.00 -0.04 0.00 0.00 63.50 63.67 2q3s n PRO 7 Cb 0.00 -2.16 -0.15 0.00 -0.04 0.00 0.00 33.50 31.15 2q3s n PRO 7 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2q3s s LYS 8 N -2.17 2.91 0.10 0.54 -2.85 -1.26 -1.73 119.74 115.28 2q3s s LYS 8 Ca 0.64 -0.78 0.07 0.00 -1.00 0.00 0.00 55.97 54.90 2q3s s LYS 8 Cb -0.52 -2.39 -0.04 0.00 -2.06 0.00 0.00 37.83 32.82 2q3s s LYS 8 CO 0.56 0.34 -0.09 -0.06 0.10 0.00 0.00 175.35 176.20 2q3s s PHE 9 N -0.02 2.77 0.44 1.78 0.08 0.42 -4.91 117.98 118.53 2q3s s PHE 9 Ca -0.05 -0.14 0.07 0.00 0.12 0.00 0.00 56.93 56.92 2q3s s PHE 9 Cb -0.15 -1.44 -0.03 0.00 -0.57 0.00 0.00 43.02 40.83 2q3s s PHE 9 CO 0.05 0.44 0.23 0.21 -0.10 0.00 0.00 175.22 176.04 2q3s s LYS 10 N -2.23 2.26 0.00 0.44 2.20 -1.26 0.52 119.74 121.67 2q3s s LYS 10 Ca 0.22 -1.87 0.22 0.00 -0.36 0.00 0.00 55.97 54.18 2q3s s LYS 10 Cb -0.11 -2.02 -0.17 0.00 -1.51 0.00 0.00 37.83 34.02 2q3s s LYS 10 CO 0.14 -0.21 0.88 0.25 -0.36 0.00 0.00 175.35 176.05 2q3s n THR 12 N -1.35 0.02 0.74 3.43 -2.24 -1.26 -4.92 114.28 108.70 2q3s n THR 12 Ca -0.02 -0.11 0.10 0.00 -2.27 0.00 0.00 64.05 61.75 2q3s n THR 12 Cb 0.64 0.69 0.09 0.00 -2.10 0.00 0.00 70.33 69.65 2q3s n THR 12 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2q3s n ASP 13 N -1.68 2.66 0.00 3.42 5.75 -1.26 -5.01 116.55 120.43 2q3s n ASP 13 Ca 0.02 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 2q3s n ASP 13 Cb 0.38 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 2q3s n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2q3s n GLY 14 N 1.09 3.00 3.77 6.12 0.00 -1.26 -5.07 105.19 112.84 2q3s n GLY 14 Ca 0.12 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 2q3s n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2q3s n SER 15 N 0.60 3.61 -4.90 1.61 3.41 -1.26 -4.96 113.62 111.72 2q3s n SER 15 Ca 0.00 1.18 -0.28 0.00 -0.26 0.00 0.00 58.87 59.51 2q3s n SER 15 Cb 0.00 -1.62 0.05 0.00 -0.26 0.00 0.00 64.21 62.39 2q3s n SER 15 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2q3s s TYR 16 N -1.15 3.19 -0.22 7.33 1.51 -1.26 -4.62 117.35 122.13 2q3s s TYR 16 Ca 0.56 0.78 -0.03 0.00 -1.01 0.00 0.00 57.07 57.37 2q3s s TYR 16 Cb -0.46 -3.04 0.07 0.00 -0.11 0.00 0.00 41.96 38.42 2q3s s TYR 16 CO 0.61 -1.18 0.07 0.08 -1.11 0.00 0.00 175.55 174.02 2q3s s VAL 17 N -3.25 0.37 0.24 0.71 1.01 1.99 -3.71 120.40 117.76 2q3s s VAL 17 Ca 0.58 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.77 2q3s s VAL 17 Cb -0.11 -1.01 -0.08 0.00 0.00 0.00 0.00 36.38 35.18 2q3s s VAL 17 CO 0.48 -0.35 0.71 -1.10 0.00 0.00 0.00 175.10 174.84 2q3s s GLN 18 N 1.92 4.17 0.28 2.72 -0.21 0.62 0.16 119.66 129.32 2q3s s GLN 18 Ca 0.02 0.78 0.06 0.00 0.02 0.00 0.00 55.36 56.24 2q3s s GLN 18 Cb -0.17 -2.78 -0.06 0.00 1.00 0.00 0.00 33.01 31.00 2q3s s GLN 18 CO -0.14 0.35 -0.02 0.95 -2.12 0.00 0.00 175.29 174.31 2q3s s THR 19 N -1.62 1.47 -0.26 -0.19 -4.23 -0.70 0.74 115.64 110.83 2q3s s THR 19 Ca 0.45 -2.08 -0.21 0.00 -1.18 0.00 0.00 61.69 58.67 2q3s s THR 19 Cb -0.15 -2.51 0.07 0.00 1.34 0.00 0.00 72.50 71.25 2q3s s THR 19 CO 0.20 -0.24 0.68 -0.75 -0.54 0.00 0.00 174.62 173.97 2q3s s LYS 20 N -3.78 0.76 -0.16 3.99 2.47 -0.30 -1.04 119.74 121.68 2q3s s LYS 20 Ca 0.31 1.06 0.01 0.00 -1.56 0.00 0.00 55.97 55.78 2q3s s LYS 20 Cb 0.05 0.29 0.02 0.00 -1.46 0.00 0.00 37.83 36.73 2q3s s LYS 20 CO 0.12 -0.12 -0.17 0.99 0.16 0.00 0.00 175.35 176.34 2q3s s THR 21 N 0.88 1.78 -0.17 3.43 2.01 -1.26 -0.15 115.64 122.16 2q3s s THR 21 Ca -0.04 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.15 2q3s s THR 21 Cb -0.05 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 2q3s s THR 21 CO -0.07 0.49 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.69 2q3s s ILE 22 N 1.40 3.97 -0.56 1.82 1.01 0.14 -4.98 121.20 124.00 2q3s s ILE 22 Ca 0.05 -0.33 -0.22 0.00 0.00 0.00 0.00 60.65 60.16 2q3s s ILE 22 Cb -0.13 -2.75 0.06 0.00 0.01 0.00 0.00 42.46 39.65 2q3s s ILE 22 CO -0.12 0.48 0.82 -1.81 0.00 0.00 0.00 174.94 174.31 2q3s s ASP 23 N 0.47 6.25 -0.06 3.58 1.01 -1.26 0.26 116.67 126.93 2q3s s ASP 23 Ca -0.03 -0.75 -0.29 0.00 0.71 0.00 0.00 52.55 52.19 2q3s s ASP 23 Cb -0.14 -2.37 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 2q3s s ASP 23 CO 0.03 -1.15 0.97 -0.69 0.21 0.00 0.00 175.17 174.54 2q3s s VAL 24 N 3.43 4.83 0.00 -1.27 1.01 0.06 -4.94 120.40 123.52 2q3s s VAL 24 Ca 0.22 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.21 2q3s s VAL 24 Cb -0.17 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.92 2q3s s VAL 24 CO 0.14 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.93 2q3s n GLY 25 N 3.03 4.39 0.27 4.51 0.00 -1.26 -3.84 105.19 112.29 2q3s n GLY 25 Ca 0.07 -2.16 0.13 0.00 0.00 0.00 0.00 46.02 44.06 2q3s n GLY 25 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2q3s h SER 26 N 0.00 0.00 0.00 1.61 4.64 -1.95 -3.20 113.55 114.64 2q3s h SER 26 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2q3s h SER 26 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2q3s h SER 26 CO 0.00 0.09 0.00 -1.54 -0.87 0.00 0.00 176.83 174.51 2q3s n SER 27 N -3.64 0.97 -4.63 4.97 3.41 -1.26 -4.54 113.62 108.90 2q3s n SER 27 Ca -0.02 -1.28 -0.46 0.00 -0.26 0.00 0.00 58.87 56.85 2q3s n SER 27 Cb 0.21 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 2q3s n SER 27 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2q3s n THR 28 N -0.14 0.54 -2.84 6.66 -1.04 -1.21 -4.92 114.28 111.32 2q3s n THR 28 Ca 0.00 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.05 61.39 2q3s n THR 28 Cb 0.18 -2.09 -0.04 0.00 -1.82 0.00 0.00 70.33 66.56 2q3s n THR 28 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2q3s s ASP 29 N 5.42 6.99 0.00 8.00 3.68 -1.26 -4.77 116.67 134.72 2q3s s ASP 29 Ca 0.96 1.22 0.08 0.00 2.13 0.00 0.00 52.55 56.93 2q3s s ASP 29 Cb -0.58 -2.47 0.02 0.00 -1.45 0.00 0.00 42.92 38.44 2q3s s ASP 29 CO 0.46 -0.45 0.62 2.30 0.13 0.00 0.00 175.17 178.23 2q3s n ILE 30 N 4.84 0.00 0.26 4.11 -5.35 -1.26 -4.62 119.36 117.34 2q3s n ILE 30 Ca 0.06 -0.44 0.10 0.00 -0.27 0.00 0.00 62.75 62.19 2q3s n ILE 30 Cb 0.48 1.12 0.70 0.00 -1.74 0.00 0.00 39.64 40.20 2q3s n ILE 30 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2q3s h SER 31 N 1.11 0.00 0.16 7.28 4.64 -1.92 -1.68 113.55 123.14 2q3s h SER 31 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2q3s h SER 31 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2q3s h SER 31 CO 0.00 0.00 -0.21 -0.65 -0.87 0.00 0.00 176.83 175.10 2q3s h PRO 32 N 0.00 0.10 0.07 4.77 0.11 -2.00 -0.84 132.00 134.21 2q3s h PRO 32 Ca 0.01 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 2q3s h PRO 32 Cb 0.03 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.14 2q3s h PRO 32 CO -0.00 0.31 -0.50 1.88 -0.21 0.00 0.00 178.00 179.49 2q3s h TYR 33 N 0.10 0.29 -0.97 0.65 0.05 -1.67 -2.80 116.97 112.62 2q3s h TYR 33 Ca 0.02 -0.21 0.13 0.00 0.05 0.00 0.00 58.73 58.72 2q3s h TYR 33 Cb 0.42 -0.01 -0.09 0.00 1.01 0.00 0.00 36.73 38.07 2q3s h TYR 33 CO 0.00 1.19 0.59 -0.07 -1.05 0.00 0.00 178.16 178.82 2q3s h LEU 34 N -0.66 0.84 -0.88 3.88 3.38 -1.30 0.45 115.31 121.01 2q3s h LEU 34 Ca -0.09 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2q3s h LEU 34 Cb 1.36 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 2q3s h LEU 34 CO 0.07 0.42 -0.10 0.28 0.09 0.00 0.00 178.44 179.19 2q3s h SER 35 N 0.90 0.70 -0.25 -0.43 0.02 -1.22 0.19 113.55 113.46 2q3s h SER 35 Ca 0.50 -0.20 -0.17 0.00 -0.84 0.00 0.00 61.79 61.07 2q3s h SER 35 Cb 0.56 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 2q3s h SER 35 CO -0.29 0.83 -0.50 -0.07 -1.14 0.00 0.00 176.83 175.66 2q3s h LEU 36 N 0.65 0.91 -0.53 5.07 3.38 -0.99 0.42 115.31 124.23 2q3s h LEU 36 Ca 0.11 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 2q3s h LEU 36 Cb 0.56 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2q3s h LEU 36 CO 0.03 1.25 0.19 0.40 0.09 0.00 0.00 178.44 180.41 2q3s h ILE 37 N 0.65 1.22 0.80 1.22 1.08 -0.54 -0.83 117.51 121.11 2q3s h ILE 37 Ca 0.03 -0.71 -0.04 0.00 -0.39 0.00 0.00 64.86 63.74 2q3s h ILE 37 Cb 1.10 0.70 0.01 0.00 -3.07 0.00 0.00 36.82 35.56 2q3s h ILE 37 CO 0.11 0.27 -0.38 -0.09 -0.69 0.00 0.00 178.15 177.37 2q3s h ARG 38 N 0.71 -1.03 -1.00 2.37 2.43 -0.49 -2.38 114.38 114.99 2q3s h ARG 38 Ca 0.17 0.07 0.22 0.00 -0.81 0.00 0.00 59.98 59.63 2q3s h ARG 38 Cb 0.23 0.23 -0.11 0.00 -0.42 0.00 0.00 29.97 29.90 2q3s h ARG 38 CO -0.01 -0.67 0.61 1.49 -1.51 0.00 0.00 179.97 179.88 2q3s h GLU 39 N -1.23 0.62 0.00 0.20 4.81 -0.10 1.04 114.58 119.92 2q3s h GLU 39 Ca -0.11 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 2q3s h GLU 39 Cb 0.83 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 2q3s h GLU 39 CO 0.18 0.41 -0.12 0.22 -0.73 0.00 0.00 179.01 178.97 2q3s h ASP 40 N 0.64 0.00 0.21 1.04 1.82 -0.92 -3.05 116.42 116.16 2q3s h ASP 40 Ca 0.60 0.00 -0.32 0.00 -0.39 0.00 0.00 57.03 56.92 2q3s h ASP 40 Cb 1.10 0.00 0.02 0.00 0.68 0.00 0.00 39.33 41.13 2q3s h ASP 40 CO -0.40 0.12 -1.47 -1.28 -1.61 0.00 0.00 179.24 174.60 2q3s h SER 41 N 0.00 0.69 -0.52 2.28 0.87 0.16 -2.46 113.55 114.57 2q3s h SER 41 Ca -0.00 -0.93 -0.10 0.00 -1.23 0.00 0.00 61.79 59.54 2q3s h SER 41 Cb 0.56 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2q3s h SER 41 CO 0.02 1.69 -0.05 0.40 -0.53 0.00 0.00 176.83 178.35 2q3s h ILE 42 N 0.02 1.27 0.08 2.23 2.04 -0.96 -1.87 117.51 120.31 2q3s h ILE 42 Ca -0.27 -1.18 -0.37 0.00 1.00 0.00 0.00 64.86 64.03 2q3s h ILE 42 Cb 2.04 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 39.06 2q3s h ILE 42 CO 0.21 0.42 -2.18 0.18 0.00 0.00 0.00 178.15 176.78 2q3s n LEU 43 N -4.23 2.76 -0.01 1.44 4.77 -1.16 -4.48 117.00 116.09 2q3s n LEU 43 Ca 0.01 0.08 0.08 0.00 -0.03 0.00 0.00 56.01 56.15 2q3s n LEU 43 Cb 0.36 -1.04 -0.12 0.00 -2.33 0.00 0.00 43.42 40.30 2q3s n LEU 43 CO 0.44 0.88 -0.62 0.59 -1.33 0.00 0.00 177.39 177.35 2q3s n ASN 44 N -3.42 1.34 -0.01 -1.43 3.02 -0.96 -4.74 115.26 109.06 2q3s n ASN 44 Ca -0.37 -0.09 0.05 0.00 -0.03 0.00 0.00 54.58 54.13 2q3s n ASN 44 Cb 1.02 1.64 -0.06 0.00 -0.61 0.00 0.00 39.78 41.77 2q3s n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q3s n GLY 45 N 1.58 -0.02 2.97 7.41 0.00 -0.93 -4.99 105.19 111.22 2q3s n GLY 45 Ca -0.02 -0.31 -0.00 0.00 0.00 0.00 0.00 46.02 45.69 2q3s n GLY 45 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2q3s n ASN 46 N -1.21 -7.47 -4.33 1.61 4.13 -0.75 -4.00 115.26 103.24 2q3s n ASN 46 Ca 0.02 -0.07 -0.39 0.00 1.68 0.00 0.00 54.58 55.82 2q3s n ASN 46 Cb 0.17 -5.08 -0.07 0.00 -1.54 0.00 0.00 39.78 33.27 2q3s n ASN 46 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2q3s n ARG 47 N -1.74 -1.20 -5.20 3.52 1.74 -1.05 -4.98 116.66 107.75 2q3s n ARG 47 Ca -0.00 0.16 -0.31 0.00 -0.77 0.00 0.00 57.85 56.93 2q3s n ARG 47 Cb 0.50 -4.75 -0.16 0.00 -1.02 0.00 0.00 32.46 27.02 2q3s n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2q3s s ALA 48 N -3.15 2.06 0.13 7.54 0.00 -1.26 -0.85 121.76 126.23 2q3s s ALA 48 Ca 0.76 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.75 2q3s s ALA 48 Cb -0.44 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 2q3s s ALA 48 CO 0.93 0.40 -0.09 0.08 0.00 0.00 0.00 175.76 177.08 2q3s s VAL 49 N -0.16 0.99 -0.16 0.00 1.01 -1.02 -4.80 120.40 116.25 2q3s s VAL 49 Ca -0.03 -2.01 0.01 0.00 0.00 0.00 0.00 61.98 59.96 2q3s s VAL 49 Cb -0.13 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.48 2q3s s VAL 49 CO 0.03 -0.79 -0.18 -0.63 0.00 0.00 0.00 175.10 173.53 2q3s s ILE 50 N -3.43 2.35 0.21 2.22 -1.09 0.30 -1.76 121.20 120.00 2q3s s ILE 50 Ca 0.15 -0.87 0.09 0.00 -2.23 0.00 0.00 60.65 57.79 2q3s s ILE 50 Cb 0.03 -1.98 -0.05 0.00 -1.58 0.00 0.00 42.46 38.89 2q3s s ILE 50 CO -0.01 0.53 -0.18 0.72 -1.23 0.00 0.00 174.94 174.76 2q3s s PHE 51 N 0.92 1.95 0.04 3.97 -0.12 0.24 0.25 117.98 125.24 2q3s s PHE 51 Ca -0.04 -0.46 -0.24 0.00 -0.05 0.00 0.00 56.93 56.14 2q3s s PHE 51 Cb -0.15 -0.92 0.06 0.00 -0.63 0.00 0.00 43.02 41.38 2q3s s PHE 51 CO -0.03 0.45 0.56 0.34 -0.05 0.00 0.00 175.22 176.49 2q3s s ASP 52 N -3.06 -0.50 0.07 1.98 2.15 -0.84 -4.26 116.67 112.21 2q3s s ASP 52 Ca 0.22 0.26 0.03 0.00 0.43 0.00 0.00 52.55 53.48 2q3s s ASP 52 Cb -0.04 0.51 -0.03 0.00 -0.30 0.00 0.00 42.92 43.06 2q3s s ASP 52 CO 0.09 -0.73 -0.09 0.68 -0.17 0.00 0.00 175.17 174.95 2q3s s VAL 53 N -2.37 0.72 -0.09 1.11 -7.23 -1.26 -1.04 120.40 110.24 2q3s s VAL 53 Ca -0.06 -1.36 0.01 0.00 -1.81 0.00 0.00 61.98 58.76 2q3s s VAL 53 Cb -0.01 -1.00 0.02 0.00 0.56 0.00 0.00 36.38 35.95 2q3s s VAL 53 CO -0.01 -0.48 -0.12 -0.31 -0.31 0.00 0.00 175.10 173.87 2q3s s TYR 54 N -1.96 1.60 -0.03 2.82 1.51 -0.93 -5.02 117.35 115.34 2q3s s TYR 54 Ca -0.02 -0.69 -0.03 0.00 -1.01 0.00 0.00 57.07 55.31 2q3s s TYR 54 Cb -0.06 -1.20 -0.04 0.00 -0.11 0.00 0.00 41.96 40.55 2q3s s TYR 54 CO -0.00 -0.39 0.15 -1.58 -1.11 0.00 0.00 175.55 172.61 2q3s s TRP 55 N 1.02 3.49 -0.01 2.71 0.52 -1.26 -1.45 118.94 123.96 2q3s s TRP 55 Ca -0.07 0.35 0.08 0.00 0.02 0.00 0.00 56.10 56.48 2q3s s TRP 55 Cb -0.15 -1.83 -0.02 0.00 -1.15 0.00 0.00 33.47 30.32 2q3s s TRP 55 CO -0.01 0.64 -0.25 0.34 0.02 0.00 0.00 176.95 177.69 2q3s s ASP 56 N -1.69 2.89 -0.16 2.95 3.68 -1.25 -4.92 116.67 118.16 2q3s s ASP 56 Ca 0.24 -0.46 -0.02 0.00 2.13 0.00 0.00 52.55 54.43 2q3s s ASP 56 Cb -0.12 -0.31 -0.02 0.00 -1.45 0.00 0.00 42.92 41.02 2q3s s ASP 56 CO 0.14 0.29 -0.07 -0.69 0.13 0.00 0.00 175.17 174.97 2q3s s VAL 57 N -0.61 3.49 -0.38 1.11 1.01 -1.26 -2.47 120.40 121.29 2q3s s VAL 57 Ca 0.10 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2q3s s VAL 57 Cb -0.09 -2.52 0.11 0.00 0.00 0.00 0.00 36.38 33.87 2q3s s VAL 57 CO -0.00 0.49 0.11 -0.83 0.00 0.00 0.00 175.10 174.87 2q3s s GLY 58 N 0.58 1.94 -0.32 4.51 0.00 0.48 -4.97 107.32 109.55 2q3s s GLY 58 Ca -0.05 -2.61 -0.38 0.00 0.00 0.00 0.00 44.72 41.69 2q3s s GLY 58 CO 0.03 1.07 2.01 0.69 0.00 0.00 0.00 173.10 176.90 2q3s n PHE 59 N 4.02 1.78 -0.54 1.90 0.99 -1.26 -4.36 117.46 119.97 2q3s n PHE 59 Ca 0.04 0.38 0.00 0.00 -0.00 0.00 0.00 57.45 57.87 2q3s n PHE 59 Cb 0.39 -2.50 0.00 0.00 -1.00 0.00 0.00 39.48 36.37 2q3s n PHE 59 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 2q3s n THR 66 N 6.11 -0.18 -0.22 4.37 5.66 -1.26 -4.86 114.28 123.90 2q3s n THR 66 Ca 0.36 0.01 0.02 0.00 -3.05 0.00 0.00 64.05 61.39 2q3s n THR 66 Cb 0.18 -0.40 0.11 0.00 -1.55 0.00 0.00 70.33 68.66 2q3s n THR 66 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2q3s h LYS 67 N 2.30 0.08 -0.47 1.09 6.56 -2.06 0.13 116.57 124.21 2q3s h LYS 67 Ca 0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2q3s h LYS 67 Cb 0.02 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 2q3s h LYS 67 CO 0.00 0.06 0.00 0.25 -2.06 0.00 0.00 179.45 177.70 2q3s n THR 68 N -5.33 0.19 0.26 -0.16 -2.24 -1.26 -3.81 114.28 101.93 2q3s n THR 68 Ca 0.10 -0.12 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 2q3s n THR 68 Cb 0.38 -0.18 0.68 0.00 -2.10 0.00 0.00 70.33 69.10 2q3s n THR 68 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2q3s h SER 69 N 0.44 0.00 0.00 3.42 4.64 -1.15 -2.94 113.55 117.96 2q3s h SER 69 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2q3s h SER 69 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2q3s h SER 69 CO 0.02 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 2q3s n GLY 70 N -0.54 -0.71 3.52 -0.77 0.00 -1.25 -4.71 105.19 100.73 2q3s n GLY 70 Ca -0.01 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2q3s n GLY 70 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2q3s s TRP 71 N -2.00 3.23 -0.27 1.61 0.52 -1.11 0.18 118.94 121.10 2q3s s TRP 71 Ca 0.24 -0.26 -0.10 0.00 0.02 0.00 0.00 56.10 56.01 2q3s s TRP 71 Cb 0.11 -2.50 -0.04 0.00 -1.15 0.00 0.00 33.47 29.89 2q3s s TRP 71 CO 0.19 -0.39 0.16 -1.12 0.02 0.00 0.00 176.95 175.80 2q3s s SER 72 N 1.72 5.77 -0.30 2.95 0.01 -1.03 -4.92 113.70 117.90 2q3s s SER 72 Ca 0.06 -0.07 -0.41 0.00 1.31 0.00 0.00 55.95 56.85 2q3s s SER 72 Cb -0.18 -2.06 -0.16 0.00 0.21 0.00 0.00 66.02 63.83 2q3s s SER 72 CO 0.11 -0.05 1.71 -0.11 0.41 0.00 0.00 173.24 175.31 2q3s n LEU 73 N 5.02 2.22 -0.00 2.44 7.94 -1.26 -3.89 117.00 129.46 2q3s n LEU 73 Ca -0.15 1.09 0.09 0.00 -1.11 0.00 0.00 56.01 55.93 2q3s n LEU 73 Cb 0.52 -1.11 -0.11 0.00 0.53 0.00 0.00 43.42 43.25 2q3s n LEU 73 CO 0.32 -0.50 -0.18 -0.24 -1.11 0.00 0.00 177.39 175.69 2q3s n SER 74 N 5.12 0.83 0.00 1.96 2.88 -0.53 -4.94 113.62 118.95 2q3s n SER 74 Ca 0.27 -0.75 0.00 0.00 -1.33 0.00 0.00 58.87 57.05 2q3s n SER 74 Cb 0.11 1.17 0.00 0.00 -0.75 0.00 0.00 64.21 64.74 2q3s n SER 74 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2q3s n SER 75 N -1.58 0.00 -3.88 -3.46 2.88 -1.14 -4.10 113.62 102.34 2q3s n SER 75 Ca 0.02 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.41 2q3s n SER 75 Cb 0.33 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.64 2q3s n SER 75 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2q3s s VAL 76 N -1.86 0.20 0.09 2.46 0.11 -1.21 -2.19 120.40 118.01 2q3s s VAL 76 Ca 0.00 -0.04 0.07 0.00 -2.93 0.00 0.00 61.98 59.08 2q3s s VAL 76 Cb 0.00 -0.22 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 2q3s s VAL 76 CO 0.00 0.09 -0.11 -0.75 -3.33 0.00 0.00 175.10 171.00 2q3s s LYS 77 N 0.34 2.13 0.00 1.54 2.20 -0.20 -1.42 119.74 124.33 2q3s s LYS 77 Ca -0.03 -1.01 0.01 0.00 -0.36 0.00 0.00 55.97 54.58 2q3s s LYS 77 Cb -0.06 -2.30 -0.00 0.00 -1.51 0.00 0.00 37.83 33.96 2q3s s LYS 77 CO -0.01 0.51 -0.04 -0.51 -0.36 0.00 0.00 175.35 174.95 2q3s s LEU 78 N -2.11 2.03 0.10 5.43 1.43 0.66 -1.98 118.68 124.24 2q3s s LEU 78 Ca 0.21 -0.10 -0.13 0.00 -1.03 0.00 0.00 54.13 53.07 2q3s s LEU 78 Cb -0.11 -0.18 0.02 0.00 0.03 0.00 0.00 46.19 45.95 2q3s s LEU 78 CO 0.13 0.02 0.30 -0.94 0.23 0.00 0.00 176.35 176.09 2q3s s SER 79 N -0.20 -0.08 0.00 2.29 1.04 0.69 0.57 113.70 118.01 2q3s s SER 79 Ca 0.00 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2q3s s SER 79 Cb -0.02 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2q3s s SER 79 CO -0.00 -0.77 0.00 0.35 0.98 0.00 0.00 173.24 173.80 2q3s n THR 80 N -0.04 0.00 0.41 2.02 -2.24 0.00 0.11 114.28 114.54 2q3s n THR 80 Ca -0.16 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.45 2q3s n THR 80 Cb 0.63 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.78 2q3s n THR 80 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2q3s h ARG 81 N 0.00 -1.02 -0.30 -0.78 2.43 -1.93 -3.27 114.38 109.51 2q3s h ARG 81 Ca 0.00 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2q3s h ARG 81 Cb 0.00 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2q3s h ARG 81 CO 0.00 -0.67 0.00 0.09 -1.51 0.00 0.00 179.97 177.88 2q3s n ASN 82 N -5.48 2.27 -4.02 -3.80 3.02 -1.24 -4.24 115.26 101.76 2q3s n ASN 82 Ca -0.13 -1.86 -0.19 0.00 -0.03 0.00 0.00 54.58 52.36 2q3s n ASN 82 Cb 0.42 -0.20 -0.15 0.00 -0.61 0.00 0.00 39.78 39.24 2q3s n ASN 82 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2q3s s LEU 83 N -1.37 1.95 -0.19 3.41 1.43 -1.23 0.23 118.68 122.91 2q3s s LEU 83 Ca 0.33 -0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 53.21 2q3s s LEU 83 Cb 0.18 -0.49 0.08 0.00 0.03 0.00 0.00 46.19 45.99 2q3s s LEU 83 CO 0.25 0.10 0.15 0.00 0.23 0.00 0.00 176.35 177.08 2q3s s LEU 85 N 2.22 3.17 -0.12 0.00 2.96 0.19 -1.14 118.68 125.96 2q3s s LEU 85 Ca 0.04 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 2q3s s LEU 85 Cb -0.16 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 2q3s s LEU 85 CO -0.11 0.16 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.56 2q3s s PHE 86 N 0.44 2.74 -0.37 5.38 0.08 0.79 -0.24 117.98 126.79 2q3s s PHE 86 Ca -0.04 -0.72 -0.02 0.00 0.12 0.00 0.00 56.93 56.27 2q3s s PHE 86 Cb -0.14 -1.80 0.09 0.00 -0.57 0.00 0.00 43.02 40.60 2q3s s PHE 86 CO 0.03 -0.24 0.13 -0.51 -0.10 0.00 0.00 175.22 174.53 2q3s s LEU 87 N 0.28 4.80 -0.26 -0.37 1.43 -0.50 0.24 118.68 124.29 2q3s s LEU 87 Ca -0.12 -1.80 -0.29 0.00 -1.03 0.00 0.00 54.13 50.89 2q3s s LEU 87 Cb -0.16 -1.78 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 2q3s s LEU 87 CO 0.06 -0.44 1.24 -0.13 0.23 0.00 0.00 176.35 177.31 2q3s s ARG 88 N 1.16 4.04 0.07 1.70 1.81 0.14 -3.31 118.95 124.56 2q3s s ARG 88 Ca 0.04 1.34 -0.18 0.00 -1.72 0.00 0.00 55.73 55.22 2q3s s ARG 88 Cb -0.21 -3.81 -0.07 0.00 -0.45 0.00 0.00 34.95 30.41 2q3s s ARG 88 CO -0.03 -0.95 0.53 -0.51 -0.68 0.00 0.00 175.30 173.66 2q3s s LEU 89 N 3.97 4.49 0.76 2.53 1.43 -1.26 -0.76 118.68 129.84 2q3s s LEU 89 Ca 0.54 1.18 -0.12 0.00 -1.03 0.00 0.00 54.13 54.70 2q3s s LEU 89 Cb -0.17 -2.88 0.05 0.00 0.03 0.00 0.00 46.19 43.21 2q3s s LEU 89 CO 0.19 0.26 1.13 -2.16 0.23 0.00 0.00 176.35 176.00 2q3s s PRO 90 N -1.21 2.43 -0.09 1.29 0.04 -1.25 -4.93 135.00 131.29 2q3s s PRO 90 Ca 0.29 0.31 -0.14 0.00 0.04 0.00 0.00 61.00 61.50 2q3s s PRO 90 Cb -0.18 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 2q3s s PRO 90 CO 0.18 -1.31 0.48 -0.22 0.04 0.00 0.00 177.00 176.17 2q3s h LYS 91 N -0.85 -0.12 -5.75 4.56 1.63 -1.96 -3.39 116.57 110.69 2q3s h LYS 91 Ca -0.45 0.01 -0.60 0.00 -0.85 0.00 0.00 60.65 58.76 2q3s h LYS 91 Cb 1.29 0.03 -0.09 0.00 -0.60 0.00 0.00 32.23 32.85 2q3s h LYS 91 CO 0.65 0.23 0.42 -1.25 -3.45 0.00 0.00 179.45 176.05 2q3s s PRO 92 N -2.43 4.17 0.59 1.90 0.04 -1.26 -5.00 135.00 133.02 2q3s s PRO 92 Ca -0.08 0.88 -0.16 0.00 0.04 0.00 0.00 61.00 61.67 2q3s s PRO 92 Cb -0.00 -3.64 -0.04 0.00 0.04 0.00 0.00 34.50 30.85 2q3s s PRO 92 CO 0.31 -0.50 1.07 -0.06 0.04 0.00 0.00 177.00 177.86 2q3s s PHE 93 N 2.78 2.89 0.14 0.56 0.40 -1.26 -4.95 117.98 118.54 2q3s s PHE 93 Ca 0.34 1.53 0.03 0.00 -0.60 0.00 0.00 56.93 58.22 2q3s s PHE 93 Cb -0.15 -3.07 -0.04 0.00 0.51 0.00 0.00 43.02 40.27 2q3s s PHE 93 CO 0.07 -1.23 -0.06 -1.01 0.70 0.00 0.00 175.22 173.70 2q3s s HIS 94 N -2.33 1.15 0.21 0.36 3.76 -1.26 -5.01 115.29 112.17 2q3s s HIS 94 Ca 0.65 -0.89 0.14 0.00 -0.15 0.00 0.00 55.06 54.82 2q3s s HIS 94 Cb -0.18 -0.63 0.72 0.00 1.11 0.00 0.00 32.58 33.61 2q3s s HIS 94 CO 0.35 -0.07 0.79 -0.25 -0.85 0.00 0.00 174.74 174.71 2q3s n ASP 95 N -0.17 0.14 0.02 1.40 9.92 -1.26 0.25 116.55 126.84 2q3s n ASP 95 Ca -0.10 0.76 0.05 0.00 -0.53 0.00 0.00 54.79 54.98 2q3s n ASP 95 Cb 0.62 -0.37 0.24 0.00 -0.64 0.00 0.00 41.12 40.97 2q3s n ASP 95 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2q3s n ASN 96 N -3.87 0.09 -0.29 -2.24 6.94 -1.26 -1.31 115.26 113.31 2q3s n ASN 96 Ca 0.20 0.53 0.13 0.00 -0.02 0.00 0.00 54.58 55.41 2q3s n ASN 96 Cb 0.73 -0.54 0.35 0.00 -2.36 0.00 0.00 39.78 37.96 2q3s n ASN 96 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2q3s n LEU 97 N -1.60 1.17 0.22 -4.53 4.77 0.68 -3.87 117.00 113.84 2q3s n LEU 97 Ca 0.02 -0.33 0.08 0.00 -0.03 0.00 0.00 56.01 55.75 2q3s n LEU 97 Cb 0.12 -0.10 0.53 0.00 -2.33 0.00 0.00 43.42 41.63 2q3s n LEU 97 CO 0.10 0.22 0.84 0.11 -1.33 0.00 0.00 177.39 177.32 2q3s h LYS 98 N 1.43 0.00 -0.98 3.23 1.57 -1.34 -1.62 116.57 118.86 2q3s h LYS 98 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2q3s h LYS 98 Cb 0.53 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.78 2q3s h LYS 98 CO 0.00 0.24 0.63 -0.44 -0.57 0.00 0.00 179.45 179.31 2q3s h ASP 99 N 0.00 1.00 -0.46 0.86 3.32 -1.75 0.72 116.42 120.10 2q3s h ASP 99 Ca -0.00 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 2q3s h ASP 99 Cb 0.54 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2q3s h ASP 99 CO 0.03 0.62 -0.04 0.25 -1.72 0.00 0.00 179.24 178.38 2q3s h LEU 100 N 1.13 0.84 -0.44 1.55 5.85 -1.55 0.11 115.31 122.78 2q3s h LEU 100 Ca 0.43 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2q3s h LEU 100 Cb 0.21 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2q3s h LEU 100 CO -0.18 0.97 0.27 1.88 -0.34 0.00 0.00 178.44 181.03 2q3s h TYR 101 N 0.69 0.58 -0.31 1.25 -1.99 -1.16 0.18 116.97 116.20 2q3s h TYR 101 Ca 0.13 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.78 2q3s h TYR 101 Cb 0.56 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 39.08 2q3s h TYR 101 CO 0.04 0.40 -0.12 0.00 -0.00 0.00 0.00 178.16 178.48 2q3s h ARG 102 N 0.59 0.54 -0.38 4.88 3.08 -0.59 -1.21 114.38 121.28 2q3s h ARG 102 Ca 0.16 -0.16 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 2q3s h ARG 102 Cb -0.02 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2q3s h ARG 102 CO -0.03 0.65 -0.27 0.35 -1.07 0.00 0.00 179.97 179.60 2q3s h PHE 103 N 0.50 0.93 0.00 3.04 3.57 0.14 -2.43 116.94 122.68 2q3s h PHE 103 Ca 0.09 -0.23 -0.04 0.00 3.53 0.00 0.00 57.97 61.32 2q3s h PHE 103 Cb 0.51 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2q3s h PHE 103 CO 0.02 0.99 -0.18 0.74 -2.23 0.00 0.00 178.31 177.65 2q3s h PHE 104 N 0.69 0.00 0.00 0.41 0.05 -0.28 -2.78 116.94 115.02 2q3s h PHE 104 Ca 0.08 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.87 2q3s h PHE 104 Cb 0.81 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.76 2q3s h PHE 104 CO 0.04 0.18 -0.31 0.00 -0.18 0.00 0.00 178.31 178.04 2q3s n ALA 105 N -2.17 2.73 -1.66 2.45 0.00 -0.49 -4.08 120.51 117.29 2q3s n ALA 105 Ca 0.01 -0.17 -0.47 0.00 0.00 0.00 0.00 53.44 52.81 2q3s n ALA 105 Cb 0.47 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 2q3s n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2q3s n SER 106 N -1.95 2.96 -0.96 0.00 2.88 -0.94 -4.56 113.62 111.04 2q3s n SER 106 Ca 0.05 1.08 0.09 0.00 -1.33 0.00 0.00 58.87 58.75 2q3s n SER 106 Cb 0.40 -1.39 0.24 0.00 -0.75 0.00 0.00 64.21 62.71 2q3s n SER 106 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2q3s n LYS 107 N 3.62 2.21 -0.16 -1.46 5.02 -1.26 -4.17 118.16 121.96 2q3s n LYS 107 Ca 0.18 -1.88 -0.08 0.00 -2.02 0.00 0.00 58.31 54.50 2q3s n LYS 107 Cb 0.28 -1.41 0.06 0.00 -0.02 0.00 0.00 35.03 33.93 2q3s n LYS 107 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2q3s h PHE 108 N 3.11 1.05 -2.66 2.13 -1.00 -1.96 -3.46 116.94 114.16 2q3s h PHE 108 Ca 0.00 -0.20 -0.57 0.00 2.81 0.00 0.00 57.97 60.01 2q3s h PHE 108 Cb 0.71 -0.27 -0.13 0.00 3.61 0.00 0.00 35.95 39.87 2q3s h PHE 108 CO 0.34 0.99 -0.50 0.14 -1.61 0.00 0.00 178.31 177.66 2q3s s VAL 109 N -4.85 0.54 -0.18 -0.55 -7.23 -1.26 -4.81 120.40 102.06 2q3s s VAL 109 Ca -0.11 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.04 2q3s s VAL 109 Cb 0.13 -2.31 -0.01 0.00 0.56 0.00 0.00 36.38 34.75 2q3s s VAL 109 CO 0.85 0.00 -0.09 -0.89 -0.31 0.00 0.00 175.10 174.66 2q3s s THR 110 N -3.19 3.19 -0.39 5.32 2.01 -0.03 -4.83 115.64 117.72 2q3s s THR 110 Ca 0.23 -0.58 -0.23 0.00 0.31 0.00 0.00 61.69 61.42 2q3s s THR 110 Cb 0.02 -2.40 0.01 0.00 0.01 0.00 0.00 72.50 70.15 2q3s s THR 110 CO 0.15 0.48 0.79 -0.36 -0.69 0.00 0.00 174.62 174.99 2q3s s PHE 111 N 0.91 3.07 -0.18 4.92 0.08 -0.50 -2.44 117.98 123.84 2q3s s PHE 111 Ca -0.02 0.43 -0.09 0.00 0.12 0.00 0.00 56.93 57.37 2q3s s PHE 111 Cb -0.15 -3.50 -0.05 0.00 -0.57 0.00 0.00 43.02 38.75 2q3s s PHE 111 CO 0.00 -0.83 0.11 0.08 -0.10 0.00 0.00 175.22 174.49 2q3s s VAL 112 N 3.19 5.28 0.28 -0.44 1.01 -0.72 -2.76 120.40 126.23 2q3s s VAL 112 Ca 0.31 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 2q3s s VAL 112 Cb -0.13 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 2q3s s VAL 112 CO 0.19 0.48 0.32 -0.83 0.00 0.00 0.00 175.10 175.26 2q3s s GLY 113 N 0.07 1.53 -0.05 4.51 0.00 -1.14 -0.59 107.32 111.65 2q3s s GLY 113 Ca 0.08 -1.61 0.06 0.00 0.00 0.00 0.00 44.72 43.26 2q3s s GLY 113 CO -0.00 -1.18 -0.25 0.14 0.00 0.00 0.00 173.10 171.81 2q3s s VAL 114 N -3.65 2.00 -1.09 1.40 1.01 -1.26 -2.38 120.40 116.44 2q3s s VAL 114 Ca 0.34 -1.05 -0.20 0.00 0.00 0.00 0.00 61.98 61.07 2q3s s VAL 114 Cb 0.03 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.72 2q3s s VAL 114 CO 0.18 0.56 0.75 0.00 0.00 0.00 0.00 175.10 176.59 2q3s n GLN 115 N 2.83 -1.06 -0.15 2.72 1.13 -1.26 -4.91 117.38 116.67 2q3s n GLN 115 Ca -0.17 0.48 0.11 0.00 -1.94 0.00 0.00 57.00 55.49 2q3s n GLN 115 Cb 0.52 -3.71 0.19 0.00 0.11 0.00 0.00 30.24 27.35 2q3s n GLN 115 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2q3s n ILE 116 N -4.02 0.42 0.24 5.09 -5.35 -1.26 -4.63 119.36 109.85 2q3s n ILE 116 Ca -0.11 -0.71 -0.16 0.00 -0.27 0.00 0.00 62.75 61.50 2q3s n ILE 116 Cb 0.59 1.06 -0.08 0.00 -1.74 0.00 0.00 39.64 39.48 2q3s n ILE 116 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2q3s h GLU 117 N 4.35 -0.72 -0.44 6.28 5.08 -2.00 -1.63 114.58 125.51 2q3s h GLU 117 Ca 0.00 0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 2q3s h GLU 117 Cb 0.96 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2q3s h GLU 117 CO 0.00 -0.48 -0.18 0.93 -1.00 0.00 0.00 179.01 178.28 2q3s h GLU 118 N -0.74 0.89 -0.84 2.33 4.39 -2.01 -2.97 114.58 115.63 2q3s h GLU 118 Ca -0.03 -0.38 0.21 0.00 0.34 0.00 0.00 59.36 59.51 2q3s h GLU 118 Cb 0.66 -0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 29.13 2q3s h GLU 118 CO -0.03 1.03 0.14 -0.44 -1.16 0.00 0.00 179.01 178.54 2q3s h ASP 119 N 0.72 -0.15 -0.65 1.42 3.32 -1.76 0.04 116.42 119.36 2q3s h ASP 119 Ca 0.10 0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 2q3s h ASP 119 Cb 0.74 0.30 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 2q3s h ASP 119 CO 0.06 -0.17 0.36 -0.07 -1.72 0.00 0.00 179.24 177.70 2q3s h LEU 120 N 0.16 0.82 -0.59 1.55 3.38 -1.13 -1.17 115.31 118.34 2q3s h LEU 120 Ca 0.50 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 58.26 2q3s h LEU 120 Cb 0.97 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2q3s h LEU 120 CO -0.67 0.66 -0.47 0.44 0.09 0.00 0.00 178.44 178.49 2q3s h ASP 121 N 0.93 0.62 -0.33 -0.43 3.32 -1.03 -0.24 116.42 119.26 2q3s h ASP 121 Ca 0.24 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 2q3s h ASP 121 Cb 0.03 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2q3s h ASP 121 CO -0.04 1.00 -0.12 -0.07 -1.72 0.00 0.00 179.24 178.28 2q3s h LEU 122 N 0.46 0.68 0.30 1.55 3.38 -1.00 -0.84 115.31 119.84 2q3s h LEU 122 Ca 0.03 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2q3s h LEU 122 Cb 0.99 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2q3s h LEU 122 CO 0.09 0.91 -0.14 -0.07 0.09 0.00 0.00 178.44 179.32 2q3s h LEU 123 N 0.44 -0.34 0.58 1.67 3.38 -1.16 -0.27 115.31 119.62 2q3s h LEU 123 Ca 0.08 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2q3s h LEU 123 Cb 0.64 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2q3s h LEU 123 CO 0.04 -0.15 -0.31 -0.09 0.09 0.00 0.00 178.44 178.02 2q3s h ARG 124 N -0.52 -0.80 -0.67 1.13 2.43 -0.94 -0.23 114.38 114.77 2q3s h ARG 124 Ca -0.04 0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 2q3s h ARG 124 Cb 0.39 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 2q3s h ARG 124 CO 0.07 -0.53 0.24 0.93 -1.51 0.00 0.00 179.97 179.17 2q3s h GLU 125 N -0.83 1.02 0.00 0.20 5.08 -1.20 -1.36 114.58 117.49 2q3s h GLU 125 Ca -0.08 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 2q3s h GLU 125 Cb 0.66 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2q3s h GLU 125 CO 0.11 0.87 -1.50 0.09 -1.00 0.00 0.00 179.01 177.58 2q3s n ASN 126 N -4.37 0.47 0.00 1.42 4.13 -0.11 -4.57 115.26 112.24 2q3s n ASN 126 Ca 0.05 0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.49 2q3s n ASN 126 Cb 0.19 1.07 0.00 0.00 -1.54 0.00 0.00 39.78 39.51 2q3s n ASN 126 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2q3s n HIS 127 N -2.53 0.00 -2.04 3.10 8.25 -0.44 -5.01 115.22 116.56 2q3s n HIS 127 Ca -0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.33 2q3s n HIS 127 Cb 0.61 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.71 2q3s n HIS 127 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2q3s n GLY 128 N 1.22 0.15 3.42 -1.41 0.00 -0.23 -4.98 105.19 103.35 2q3s n GLY 128 Ca 0.00 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 2q3s n GLY 128 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2q3s s LEU 129 N -2.64 4.96 -0.08 0.99 0.20 -0.92 -4.93 118.68 116.26 2q3s s LEU 129 Ca 0.00 -0.97 -0.03 0.00 0.69 0.00 0.00 54.13 53.81 2q3s s LEU 129 Cb 0.00 -2.10 -0.04 0.00 -0.43 0.00 0.00 46.19 43.63 2q3s s LEU 129 CO 0.00 -0.43 0.06 -0.69 -0.29 0.00 0.00 176.35 174.99 2q3s s VAL 130 N 1.62 4.74 -0.41 1.68 1.01 -1.26 -3.01 120.40 124.76 2q3s s VAL 130 Ca 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 2q3s s VAL 130 Cb -0.19 -3.04 0.11 0.00 0.00 0.00 0.00 36.38 33.26 2q3s s VAL 130 CO 0.08 0.57 0.19 -0.63 0.00 0.00 0.00 175.10 175.32 2q3s s ILE 131 N -0.98 3.14 0.41 2.22 1.01 -1.26 -3.97 121.20 121.77 2q3s s ILE 131 Ca 0.15 -2.17 0.13 0.00 0.00 0.00 0.00 60.65 58.76 2q3s s ILE 131 Cb -0.12 -3.17 0.14 0.00 0.01 0.00 0.00 42.46 39.33 2q3s s ILE 131 CO 0.05 -0.69 1.92 0.03 0.00 0.00 0.00 174.94 176.24 2q3s h ARG 132 N 7.90 0.05 -2.46 2.79 3.08 -1.80 -3.34 114.38 120.59 2q3s h ARG 132 Ca -0.11 -0.01 -0.60 0.00 0.07 0.00 0.00 59.98 59.33 2q3s h ARG 132 Cb 1.04 -0.01 -0.41 0.00 0.08 0.00 0.00 29.97 30.67 2q3s h ARG 132 CO 0.67 0.29 -0.75 -1.71 -1.07 0.00 0.00 179.97 177.41 2q3s n ASN 133 N -4.23 2.16 -4.47 7.04 4.05 -1.26 -5.10 115.26 113.45 2q3s n ASN 133 Ca -0.02 -3.05 -0.26 0.00 0.45 0.00 0.00 54.58 51.70 2q3s n ASN 133 Cb 0.31 -0.67 -0.11 0.00 1.23 0.00 0.00 39.78 40.54 2q3s n ASN 133 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2q3s s ALA 134 N -1.50 2.70 -0.04 5.20 0.00 -1.26 -1.41 121.76 125.46 2q3s s ALA 134 Ca 0.33 -1.69 -0.02 0.00 0.00 0.00 0.00 51.96 50.59 2q3s s ALA 134 Cb 0.08 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.83 2q3s s ALA 134 CO -0.11 0.38 0.06 -1.50 0.00 0.00 0.00 175.76 174.59 2q3s s ILE 135 N -1.97 -0.10 -0.83 0.00 1.10 -1.11 -4.96 121.20 113.33 2q3s s ILE 135 Ca 0.25 0.36 -0.23 0.00 -0.51 0.00 0.00 60.65 60.52 2q3s s ILE 135 Cb -0.07 -0.14 0.07 0.00 0.15 0.00 0.00 42.46 42.47 2q3s s ILE 135 CO 0.13 0.15 1.19 0.21 -2.11 0.00 0.00 174.94 174.51 2q3s s ASN 136 N 1.85 6.36 0.47 4.50 2.47 -1.26 -2.90 114.94 126.43 2q3s s ASN 136 Ca 0.01 -1.23 0.12 0.00 0.42 0.00 0.00 52.86 52.17 2q3s s ASN 136 Cb -0.12 -2.48 1.08 0.00 -1.45 0.00 0.00 41.25 38.27 2q3s s ASN 136 CO -0.03 -1.46 2.11 1.62 -3.72 0.00 0.00 177.10 175.62 2q3s h VAL 137 N 6.16 1.04 -0.74 -5.21 3.04 -1.87 -2.27 116.25 116.40 2q3s h VAL 137 Ca -0.06 -0.09 0.16 0.00 -1.01 0.00 0.00 66.70 65.70 2q3s h VAL 137 Cb 1.04 0.76 -0.05 0.00 -2.01 0.00 0.00 31.29 31.03 2q3s h VAL 137 CO 1.25 0.05 0.50 1.23 -1.01 0.00 0.00 177.57 179.59 2q3s h GLY 138 N 0.26 0.60 1.11 3.17 0.00 -1.82 0.18 103.07 106.58 2q3s h GLY 138 Ca 0.08 -0.15 -0.13 0.00 0.00 0.00 0.00 47.33 47.13 2q3s h GLY 138 CO -0.02 0.05 -0.18 1.70 0.00 0.00 0.00 176.54 178.09 2q3s h LYS 139 N 0.35 1.02 0.29 4.80 3.64 -1.66 -0.28 116.57 124.73 2q3s h LYS 139 Ca 0.36 -0.42 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2q3s h LYS 139 Cb 0.92 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 2q3s h LYS 139 CO -0.10 1.10 -0.14 1.25 -2.27 0.00 0.00 179.45 179.29 2q3s h LEU 140 N 0.88 -0.33 -0.94 5.20 5.85 -1.11 -0.95 115.31 123.91 2q3s h LEU 140 Ca 0.12 -0.17 0.18 0.00 0.84 0.00 0.00 57.88 58.86 2q3s h LEU 140 Cb 0.76 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.77 2q3s h LEU 140 CO 0.06 0.00 0.52 0.00 -0.34 0.00 0.00 178.44 178.69 2q3s h ALA 141 N -0.10 1.51 -0.09 1.25 0.00 -1.12 1.16 119.26 121.87 2q3s h ALA 141 Ca -0.04 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2q3s h ALA 141 Cb 0.48 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2q3s h ALA 141 CO 0.07 -0.11 0.01 0.00 0.00 0.00 0.00 179.25 179.21 2q3s h ALA 142 N 1.63 0.12 -0.20 0.00 0.00 -0.94 -0.57 119.26 119.30 2q3s h ALA 142 Ca 0.54 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 2q3s h ALA 142 Cb 0.85 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2q3s h ALA 142 CO -0.40 -0.21 -0.11 0.93 0.00 0.00 0.00 179.25 179.46 2q3s h GLU 143 N -0.11 0.43 0.00 0.00 5.08 0.53 0.44 114.58 120.95 2q3s h GLU 143 Ca 0.03 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2q3s h GLU 143 Cb 0.32 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2q3s h GLU 143 CO 0.00 0.73 0.00 0.00 -1.00 0.00 0.00 179.01 178.74 2q3s n ALA 144 N -2.40 -0.23 0.19 3.43 0.00 0.38 -1.55 120.51 120.34 2q3s n ALA 144 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.41 2q3s n ALA 144 Cb 0.33 0.17 0.11 0.00 0.00 0.00 0.00 19.45 20.07 2q3s n ALA 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2q3s n ARG 145 N -1.97 0.03 -3.22 0.00 5.12 -0.23 -4.77 116.66 111.63 2q3s n ARG 145 Ca 0.00 0.33 -0.23 0.00 -1.93 0.00 0.00 57.85 56.02 2q3s n ARG 145 Cb 0.00 -1.50 0.05 0.00 -1.16 0.00 0.00 32.46 29.85 2q3s n ARG 145 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2q3s n GLY 146 N -0.95 -0.53 3.27 -0.13 0.00 -0.31 -4.97 105.19 101.57 2q3s n GLY 146 Ca 0.02 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2q3s n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q3s s THR 147 N -3.21 3.13 -0.02 2.61 2.01 0.14 -4.98 115.64 115.31 2q3s s THR 147 Ca 0.40 -0.61 -0.24 0.00 0.31 0.00 0.00 61.69 61.54 2q3s s THR 147 Cb -0.18 -2.43 -0.18 0.00 0.01 0.00 0.00 72.50 69.73 2q3s s THR 147 CO 0.49 0.42 1.12 -0.07 -0.69 0.00 0.00 174.62 175.89 2q3s h LEU 148 N 8.08 -0.16 -2.49 4.42 3.38 -1.93 -3.29 115.31 123.31 2q3s h LEU 148 Ca -0.41 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.20 2q3s h LEU 148 Cb 1.15 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2q3s h LEU 148 CO 0.61 0.32 0.03 1.62 0.09 0.00 0.00 178.44 181.11 2q3s h VAL 149 N -0.69 0.45 -0.13 1.22 3.04 -1.96 -2.42 116.25 115.76 2q3s h VAL 149 Ca -0.02 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.71 2q3s h VAL 149 Cb 0.51 0.97 -0.01 0.00 -2.01 0.00 0.00 31.29 30.75 2q3s h VAL 149 CO 0.03 0.00 0.22 -0.07 -1.01 0.00 0.00 177.57 176.74 2q3s h LEU 150 N 0.00 0.00 -1.28 3.16 3.38 -1.87 0.65 115.31 119.36 2q3s h LEU 150 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2q3s h LEU 150 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2q3s h LEU 150 CO -0.00 0.00 0.00 -0.08 0.09 0.00 0.00 178.44 178.45 2q3s h GLU 151 N 0.00 0.00 -0.40 1.13 4.81 -1.47 -3.28 114.58 115.37 2q3s h GLU 151 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2q3s h GLU 151 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2q3s h GLU 151 CO -0.00 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 179.47 2q3s n PHE 152 N -3.08 0.83 -3.96 0.92 3.72 0.23 -4.73 117.46 111.38 2q3s n PHE 152 Ca 0.01 -0.63 -0.29 0.00 -0.05 0.00 0.00 57.45 56.49 2q3s n PHE 152 Cb 0.33 -0.15 -0.04 0.00 -0.94 0.00 0.00 39.48 38.68 2q3s n PHE 152 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2q3s s LEU 153 N -1.71 4.22 0.97 4.37 1.43 -1.21 -5.10 118.68 121.65 2q3s s LEU 153 Ca 0.35 0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.46 2q3s s LEU 153 Cb 0.23 -2.82 0.19 0.00 0.03 0.00 0.00 46.19 43.82 2q3s s LEU 153 CO 0.16 0.13 1.25 -0.83 0.23 0.00 0.00 176.35 177.29 2q3s s GLY 154 N -2.75 1.70 0.16 -3.19 0.00 -1.26 -4.60 107.32 97.38 2q3s s GLY 154 Ca 0.34 -1.01 -0.28 0.00 0.00 0.00 0.00 44.72 43.76 2q3s s GLY 154 CO 0.27 -0.29 1.56 -0.84 0.00 0.00 0.00 173.10 173.80 2q3s h THR 155 N -1.67 0.06 -0.11 0.90 2.02 -2.00 0.34 112.91 112.44 2q3s h THR 155 Ca -0.45 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 2q3s h THR 155 Cb 1.27 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2q3s h THR 155 CO 0.44 0.00 -0.02 -0.09 0.37 0.00 0.00 175.52 176.23 2q3s h ARG 156 N -0.26 0.20 -0.29 6.66 1.12 -1.94 -2.65 114.38 117.22 2q3s h ARG 156 Ca 0.15 -0.07 0.07 0.00 -1.11 0.00 0.00 59.98 59.01 2q3s h ARG 156 Cb 0.56 -0.01 -0.07 0.00 -0.01 0.00 0.00 29.97 30.44 2q3s h ARG 156 CO -0.68 0.49 -0.20 1.49 -3.11 0.00 0.00 179.97 177.96 2q3s h GLU 157 N -0.10 -0.16 0.55 0.20 4.57 -1.69 0.39 114.58 118.34 2q3s h GLU 157 Ca 0.03 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2q3s h GLU 157 Cb 0.41 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2q3s h GLU 157 CO 0.01 -0.11 -0.33 1.25 -1.18 0.00 0.00 179.01 178.65 2q3s h LEU 158 N -0.17 -0.82 -1.91 1.64 5.85 -0.41 -1.61 115.31 117.88 2q3s h LEU 158 Ca 0.16 0.05 0.41 0.00 0.84 0.00 0.00 57.88 59.33 2q3s h LEU 158 Cb 0.41 0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.61 2q3s h LEU 158 CO -0.39 -0.52 1.01 0.00 -0.34 0.00 0.00 178.44 178.19 2q3s h ALA 159 N -0.44 3.25 0.18 1.25 0.00 -0.98 -0.46 119.26 122.07 2q3s h ALA 159 Ca -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2q3s h ALA 159 Cb 0.67 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2q3s h ALA 159 CO 0.08 -1.69 -0.09 1.25 0.00 0.00 0.00 179.25 178.80 2q3s h HIS 160 N 0.03 -0.23 0.00 0.00 -0.00 0.66 -2.49 115.15 113.12 2q3s h HIS 160 Ca 0.69 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 61.06 2q3s h HIS 160 Cb 2.68 0.08 0.00 0.00 -0.00 0.00 0.00 27.41 30.16 2q3s h HIS 160 CO -0.00 0.17 0.00 0.54 -0.00 0.00 0.00 177.93 178.64 2q3s n ARG 161 N -4.94 0.01 -0.00 5.26 5.12 -0.30 -1.37 116.66 120.45 2q3s n ARG 161 Ca -0.07 0.31 0.07 0.00 -1.93 0.00 0.00 57.85 56.22 2q3s n ARG 161 Cb 0.25 -1.53 -0.10 0.00 -1.16 0.00 0.00 32.46 29.93 2q3s n ARG 161 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2q3s n VAL 162 N -1.56 0.00 0.00 1.55 0.31 -0.52 -4.85 118.33 113.26 2q3s n VAL 162 Ca 0.03 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2q3s n VAL 162 Cb 0.15 0.44 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 2q3s n VAL 162 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2q3s n LEU 163 N -1.76 0.00 -3.14 7.52 4.77 -0.94 -4.94 117.00 118.51 2q3s n LEU 163 Ca -0.01 -0.10 -0.29 0.00 -0.03 0.00 0.00 56.01 55.58 2q3s n LEU 163 Cb 0.31 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.43 2q3s n LEU 163 CO 0.28 0.00 -0.28 0.79 -1.33 0.00 0.00 177.39 176.85 2q3s n TRP 164 N -0.33 -1.97 -4.01 -1.77 7.02 -0.47 -5.03 117.44 110.88 2q3s n TRP 164 Ca 0.00 0.83 -0.08 0.00 -1.02 0.00 0.00 57.50 57.23 2q3s n TRP 164 Cb 0.00 -1.41 -0.10 0.00 -2.42 0.00 0.00 31.31 27.38 2q3s n TRP 164 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2q3s s SER 165 N -1.20 0.34 0.48 -0.99 1.04 -1.26 -5.15 113.70 106.96 2q3s s SER 165 Ca 0.28 -0.77 -0.24 0.00 0.48 0.00 0.00 55.95 55.71 2q3s s SER 165 Cb -0.03 0.20 -0.07 0.00 0.10 0.00 0.00 66.02 66.22 2q3s s SER 165 CO 0.64 -0.53 1.34 -0.62 0.98 0.00 0.00 173.24 175.05 2q3s s ASP 166 N -2.46 5.75 -0.03 7.02 2.15 -1.26 -4.94 116.67 122.90 2q3s s ASP 166 Ca -0.00 2.72 0.04 0.00 0.43 0.00 0.00 52.55 55.74 2q3s s ASP 166 Cb 0.02 -2.64 0.06 0.00 -0.30 0.00 0.00 42.92 40.07 2q3s s ASP 166 CO -0.07 -1.24 0.89 0.18 -0.17 0.00 0.00 175.17 174.76 2q3s n LEU 167 N -0.51 0.91 -0.35 -1.34 4.77 -1.26 -4.92 117.00 114.29 2q3s n LEU 167 Ca 0.07 -1.38 0.02 0.00 -0.03 0.00 0.00 56.01 54.70 2q3s n LEU 167 Cb 0.44 -0.09 0.16 0.00 -2.33 0.00 0.00 43.42 41.60 2q3s n LEU 167 CO 0.54 0.33 1.24 1.23 -1.33 0.00 0.00 177.39 179.40 2q3s h GLY 168 N 0.00 1.45 1.04 -0.72 0.00 -1.98 0.23 103.07 103.08 2q3s h GLY 168 Ca 0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 2q3s h GLY 168 CO 0.00 0.31 0.03 -1.61 0.00 0.00 0.00 176.54 175.27 2q3s h GLN 169 N 1.10 0.96 -0.04 4.80 5.75 -1.99 -1.48 115.11 124.21 2q3s h GLN 169 Ca 0.41 -0.29 -0.03 0.00 -0.15 0.00 0.00 58.65 58.59 2q3s h GLN 169 Cb 0.18 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.63 2q3s h GLN 169 CO -0.18 0.95 -0.10 1.25 -2.65 0.00 0.00 178.83 178.11 2q3s h LEU 170 N 0.85 0.15 -0.91 -2.39 5.85 -1.88 -3.05 115.31 113.92 2q3s h LEU 170 Ca 0.16 -0.60 0.01 0.00 0.84 0.00 0.00 57.88 58.30 2q3s h LEU 170 Cb 0.50 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 2q3s h LEU 170 CO 0.02 0.72 0.60 0.44 -0.34 0.00 0.00 178.44 179.88 2q3s h ASP 171 N -0.41 1.03 0.20 1.25 3.32 -0.59 0.76 116.42 121.98 2q3s h ASP 171 Ca -0.00 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.04 2q3s h ASP 171 Cb 0.70 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 2q3s h ASP 171 CO 0.02 0.74 -0.40 -1.28 -1.72 0.00 0.00 179.24 176.61 2q3s h SER 172 N 1.22 -1.14 0.01 6.45 0.87 -1.33 0.16 113.55 119.78 2q3s h SER 172 Ca 0.34 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 2q3s h SER 172 Cb -0.13 0.42 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2q3s h SER 172 CO -0.08 -0.49 -0.02 0.40 -0.53 0.00 0.00 176.83 176.11 2q3s h ILE 173 N -0.68 0.94 -0.09 2.23 2.04 -1.38 -2.75 117.51 117.82 2q3s h ILE 173 Ca 0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 2q3s h ILE 173 Cb 0.68 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2q3s h ILE 173 CO -0.18 0.00 -0.12 -0.33 0.00 0.00 0.00 178.15 177.52 2q3s h GLU 174 N -0.05 0.14 0.00 2.37 5.08 -0.58 0.82 114.58 122.36 2q3s h GLU 174 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2q3s h GLU 174 Cb 0.05 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2q3s h GLU 174 CO -0.02 0.26 0.00 0.00 -1.00 0.00 0.00 179.01 178.26 2q3s h ALA 175 N 1.75 1.00 0.00 3.43 0.00 -0.52 -3.07 119.26 121.85 2q3s h ALA 175 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2q3s h ALA 175 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2q3s h ALA 175 CO 0.02 0.00 -0.11 0.36 0.00 0.00 0.00 179.25 179.52 2q3s n LYS 176 N -2.51 1.15 -0.31 0.00 2.85 0.61 -4.93 118.16 115.02 2q3s n LYS 176 Ca 0.02 -2.01 -0.07 0.00 -1.05 0.00 0.00 58.31 55.21 2q3s n LYS 176 Cb 0.30 -1.18 -0.05 0.00 -0.65 0.00 0.00 35.03 33.45 2q3s n LYS 176 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 177.40 179.22 2q3s n TRP 177 N -0.95 -0.25 0.24 5.58 -0.00 0.25 0.93 117.44 123.25 2q3s n TRP 177 Ca 0.10 0.95 0.12 0.00 -0.00 0.00 0.00 57.50 58.67 2q3s n TRP 177 Cb 0.60 -0.61 0.64 0.00 -0.00 0.00 0.00 31.31 31.94 2q3s n TRP 177 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 177.69 178.74 2q3s h GLU 178 N 0.00 0.00 -0.00 5.87 9.09 -1.88 -1.55 114.58 126.11 2q3s h GLU 178 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.57 2q3s h GLU 178 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.45 2q3s h GLU 178 CO -0.73 0.00 -0.03 1.63 0.05 0.00 0.00 179.01 179.94 2q3s n LYS 179 N -2.49 0.85 -2.34 1.06 5.02 0.26 -5.01 118.16 115.51 2q3s n LYS 179 Ca -0.02 -0.53 -0.41 0.00 -2.02 0.00 0.00 58.31 55.34 2q3s n LYS 179 Cb 0.28 -0.96 -0.03 0.00 -0.02 0.00 0.00 35.03 34.29 2q3s n LYS 179 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2q3s s ALA 180 N -0.46 3.44 1.17 7.82 0.00 0.02 -5.01 121.76 128.75 2q3s s ALA 180 Ca 0.03 1.03 -0.15 0.00 0.00 0.00 0.00 51.96 52.86 2q3s s ALA 180 Cb 0.02 -3.39 0.28 0.00 0.00 0.00 0.00 23.12 20.03 2q3s s ALA 180 CO 0.05 -0.34 1.04 0.20 0.00 0.00 0.00 175.76 176.71 2q3s s GLY 181 N -0.64 1.53 0.00 0.00 0.00 -1.26 -4.76 107.32 102.19 2q3s s GLY 181 Ca 0.47 -0.47 0.15 0.00 0.00 0.00 0.00 44.72 44.88 2q3s s GLY 181 CO 0.44 0.31 1.36 -1.55 0.00 0.00 0.00 173.10 173.66 2q3s n PRO 182 N -4.82 0.63 0.02 2.90 -0.04 -1.26 -1.24 135.00 131.19 2q3s n PRO 182 Ca 0.06 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 2q3s n PRO 182 Cb 0.57 -1.38 0.03 0.00 -0.04 0.00 0.00 33.50 32.68 2q3s n PRO 182 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2q3s n GLU 183 N -0.88 0.24 -0.03 0.54 2.13 -1.26 -3.77 120.64 117.62 2q3s n GLU 183 Ca 0.11 -0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.94 2q3s n GLU 183 Cb 0.05 -1.58 -0.09 0.00 0.27 0.00 0.00 31.44 30.09 2q3s n GLU 183 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2q3s n GLU 184 N -1.89 1.11 0.08 5.31 1.02 -0.38 -3.18 120.64 122.72 2q3s n GLU 184 Ca 0.02 -0.07 -0.09 0.00 -0.02 0.00 0.00 57.16 57.00 2q3s n GLU 184 Cb 0.42 -1.30 -0.05 0.00 -0.02 0.00 0.00 31.44 30.50 2q3s n GLU 184 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2q3s h GLN 185 N 0.00 0.15 -0.01 3.49 4.20 -1.72 0.63 115.11 121.85 2q3s h GLN 185 Ca -0.13 -0.19 -0.24 0.00 0.06 0.00 0.00 58.65 58.14 2q3s h GLN 185 Cb 1.05 0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.90 2q3s h GLN 185 CO 0.01 0.99 -0.98 1.25 -0.67 0.00 0.00 178.83 179.42 2q3s h LEU 186 N 0.07 0.72 -0.19 1.46 6.46 -1.75 -1.39 115.31 120.68 2q3s h LEU 186 Ca -0.05 -0.58 -0.04 0.00 -0.12 0.00 0.00 57.88 57.10 2q3s h LEU 186 Cb 1.63 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 41.33 2q3s h LEU 186 CO 0.14 1.37 -0.03 -0.08 -0.62 0.00 0.00 178.44 179.23 2q3s h GLU 187 N 0.32 0.36 -0.99 1.25 4.81 -1.49 -2.39 114.58 116.44 2q3s h GLU 187 Ca -0.10 -0.13 0.17 0.00 -0.13 0.00 0.00 59.36 59.17 2q3s h GLU 187 Cb 1.63 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 30.89 2q3s h GLU 187 CO 0.18 0.60 0.62 0.00 -0.73 0.00 0.00 179.01 179.68 2q3s h ALA 188 N 0.75 1.67 -0.24 2.92 0.00 0.27 0.16 119.26 124.80 2q3s h ALA 188 Ca 0.05 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2q3s h ALA 188 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2q3s h ALA 188 CO 0.02 0.01 -0.11 0.00 0.00 0.00 0.00 179.25 179.17 2q3s h ALA 189 N 1.61 1.38 0.18 0.00 0.00 -0.76 -2.97 119.26 118.70 2q3s h ALA 189 Ca 0.54 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2q3s h ALA 189 Cb 0.78 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2q3s h ALA 189 CO -0.32 0.43 -0.09 0.00 0.00 0.00 0.00 179.25 179.27 2q3s h ALA 190 N 1.53 -0.25 -0.52 0.00 0.00 -0.30 -2.98 119.26 116.74 2q3s h ALA 190 Ca 0.07 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.86 2q3s h ALA 190 Cb 0.41 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.20 2q3s h ALA 190 CO 0.02 -0.39 -0.39 0.82 0.00 0.00 0.00 179.25 179.31 2q3s h ILE 191 N -0.75 0.13 -0.64 0.00 2.04 -1.49 -1.68 117.51 115.12 2q3s h ILE 191 Ca -0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.86 2q3s h ILE 191 Cb 0.51 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 2q3s h ILE 191 CO 0.04 0.00 0.43 -0.33 0.00 0.00 0.00 178.15 178.29 2q3s h GLU 192 N -0.23 0.76 -0.52 2.37 5.08 -1.59 1.33 114.58 121.78 2q3s h GLU 192 Ca 0.18 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2q3s h GLU 192 Cb 0.56 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2q3s h GLU 192 CO -0.64 0.50 0.34 0.78 -1.00 0.00 0.00 179.01 179.00 2q3s h GLY 193 N 0.78 0.74 1.08 -3.84 0.00 -1.17 -0.36 103.07 100.30 2q3s h GLY 193 Ca 0.25 -0.28 -0.30 0.00 0.00 0.00 0.00 47.33 47.01 2q3s h GLY 193 CO -0.07 0.27 -1.32 -0.25 0.00 0.00 0.00 176.54 175.17 2q3s h TRP 194 N 0.71 0.86 -0.25 5.60 7.01 0.29 -2.41 115.95 127.76 2q3s h TRP 194 Ca 0.19 -0.63 0.05 0.00 2.11 0.00 0.00 58.89 60.62 2q3s h TRP 194 Cb -0.08 -0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 26.90 2q3s h TRP 194 CO 0.00 1.51 -0.09 -0.07 -2.79 0.00 0.00 178.44 176.99 2q3s h LEU 195 N 0.00 -0.33 -0.90 0.65 3.38 0.20 -1.38 115.31 116.93 2q3s h LEU 195 Ca -0.23 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 2q3s h LEU 195 Cb 2.03 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.95 2q3s h LEU 195 CO 0.24 -0.12 0.03 0.40 0.09 0.00 0.00 178.44 179.07 2q3s h ILE 196 N -0.05 1.24 -0.38 1.22 1.08 -1.17 -2.28 117.51 117.17 2q3s h ILE 196 Ca 0.13 -0.99 0.07 0.00 -0.39 0.00 0.00 64.86 63.68 2q3s h ILE 196 Cb 0.24 0.82 -0.09 0.00 -3.07 0.00 0.00 36.82 34.72 2q3s h ILE 196 CO -0.28 0.35 -0.43 0.58 -0.69 0.00 0.00 178.15 177.68 2q3s h VAL 197 N 0.79 0.11 -1.00 1.67 2.07 -0.84 0.78 116.25 119.83 2q3s h VAL 197 Ca 0.16 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.83 2q3s h VAL 197 Cb 0.43 0.11 -0.09 0.00 -1.52 0.00 0.00 31.29 30.22 2q3s h VAL 197 CO 0.02 0.00 0.63 0.78 0.02 0.00 0.00 177.57 179.01 2q3s h ASN 198 N -0.34 0.87 -0.13 0.57 2.35 -1.02 0.35 115.58 118.23 2q3s h ASN 198 Ca 0.13 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2q3s h ASN 198 Cb 0.59 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 2q3s h ASN 198 CO -0.56 0.41 0.06 0.58 -1.65 0.00 0.00 177.43 176.27 2q3s h VAL 199 N 0.90 1.11 0.41 2.81 2.07 0.41 -2.14 116.25 121.82 2q3s h VAL 199 Ca 0.53 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.72 2q3s h VAL 199 Cb 0.66 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2q3s h VAL 199 CO -0.31 0.10 -0.20 -0.25 0.02 0.00 0.00 177.57 176.93 2q3s h TRP 200 N 0.09 -0.52 -0.83 1.57 2.91 0.24 -1.64 115.95 117.76 2q3s h TRP 200 Ca 0.04 -0.01 0.19 0.00 1.13 0.00 0.00 58.89 60.24 2q3s h TRP 200 Cb 0.10 0.17 -0.12 0.00 -0.51 0.00 0.00 29.16 28.81 2q3s h TRP 200 CO -0.03 -0.32 0.32 -0.44 -1.03 0.00 0.00 178.44 176.93 2q3s h ASP 201 N -0.56 0.23 0.65 2.65 3.32 -0.34 0.86 116.42 123.24 2q3s h ASP 201 Ca -0.06 0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 2q3s h ASP 201 Cb 0.43 0.14 0.01 0.00 0.22 0.00 0.00 39.33 40.13 2q3s h ASP 201 CO 0.09 0.01 -0.31 1.56 -1.72 0.00 0.00 179.24 178.87 2q3s h GLN 202 N 0.38 -0.85 -0.18 3.56 4.20 -1.08 -3.33 115.11 117.80 2q3s h GLN 202 Ca 0.49 0.06 0.04 0.00 0.06 0.00 0.00 58.65 59.30 2q3s h GLN 202 Cb 0.88 0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.82 2q3s h GLN 202 CO -0.50 -0.53 -0.05 -0.07 -0.67 0.00 0.00 178.83 177.00 2q3s h LEU 203 N -0.99 -0.18 0.00 1.46 3.38 -0.25 -3.17 115.31 115.56 2q3s h LEU 203 Ca -0.09 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2q3s h LEU 203 Cb 0.71 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2q3s h LEU 203 CO 0.15 -0.06 0.02 -0.24 0.09 0.00 0.00 178.44 178.39 2q3s n SER 204 N -5.19 0.00 -2.68 -0.43 2.88 0.18 -3.01 113.62 105.37 2q3s n SER 204 Ca -0.03 0.02 -0.05 0.00 -1.33 0.00 0.00 58.87 57.48 2q3s n SER 204 Cb 0.12 -0.02 0.09 0.00 -0.75 0.00 0.00 64.21 63.65 2q3s n SER 204 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2q3s n ASP 205 N -0.76 -1.56 0.00 -3.46 5.68 -1.20 -5.12 116.55 110.13 2q3s n ASP 205 Ca 0.00 -2.17 0.00 0.00 -0.50 0.00 0.00 54.79 52.12 2q3s n ASP 205 Cb 0.02 1.11 0.00 0.00 -1.14 0.00 0.00 41.12 41.11 2q3s n ASP 205 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03