#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3s s ALA 2 N 0.00 3.08 0.20 -1.46 0.00 -1.26 -5.11 121.76 117.21 2q3s s ALA 2 Ca 0.00 -0.83 -0.20 0.00 0.00 0.00 0.00 51.96 50.92 2q3s s ALA 2 Cb 0.00 -1.45 0.04 0.00 0.00 0.00 0.00 23.12 21.71 2q3s s ALA 2 CO 0.00 0.41 0.60 0.45 0.00 0.00 0.00 175.76 177.22 2q3s s SER 3 N -0.29 -0.37 -1.26 0.00 0.15 -1.26 -5.04 113.70 105.64 2q3s s SER 3 Ca 0.05 -0.34 -0.14 0.00 0.70 0.00 0.00 55.95 56.22 2q3s s SER 3 Cb -0.12 0.63 0.14 0.00 -1.71 0.00 0.00 66.02 64.96 2q3s s SER 3 CO 0.02 -1.10 1.62 0.49 1.20 0.00 0.00 173.24 175.47 2q3s n PHE 4 N -0.39 4.46 -0.40 3.44 3.01 -1.26 -4.77 117.46 121.56 2q3s n PHE 4 Ca -0.11 -3.14 0.07 0.00 1.01 0.00 0.00 57.45 55.28 2q3s n PHE 4 Cb 0.62 -2.25 0.32 0.00 -0.01 0.00 0.00 39.48 38.16 2q3s n PHE 4 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2q3s n ASP 5 N 5.85 4.49 -1.92 4.37 3.85 -1.26 -4.42 116.55 127.50 2q3s n ASP 5 Ca 0.41 -2.57 0.00 0.00 -0.71 0.00 0.00 54.79 51.92 2q3s n ASP 5 Cb 0.42 -0.59 0.00 0.00 -1.35 0.00 0.00 41.12 39.60 2q3s n ASP 5 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2q3s n GLY 6 N 0.76 0.17 3.68 6.12 0.00 -0.12 -4.99 105.19 110.81 2q3s n GLY 6 Ca 0.22 -1.80 -0.44 0.00 0.00 0.00 0.00 46.02 44.00 2q3s n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2q3s n PRO 7 N -0.28 2.14 -4.20 1.61 -0.02 -1.25 -4.45 135.00 128.55 2q3s n PRO 7 Ca 0.00 0.76 -0.34 0.00 -2.02 0.00 0.00 63.50 61.90 2q3s n PRO 7 Cb 0.00 -2.43 -0.15 0.00 -0.02 0.00 0.00 33.50 30.90 2q3s n PRO 7 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2q3s s LYS 8 N -0.53 3.23 0.09 -0.52 2.20 -1.26 -1.82 119.74 121.12 2q3s s LYS 8 Ca 0.67 -0.72 0.03 0.00 -0.36 0.00 0.00 55.97 55.59 2q3s s LYS 8 Cb -0.62 -2.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 2q3s s LYS 8 CO 0.50 -0.11 0.07 -0.06 -0.36 0.00 0.00 175.35 175.39 2q3s s PHE 9 N 1.16 3.16 0.55 4.03 0.40 -0.62 -4.90 117.98 121.77 2q3s s PHE 9 Ca 0.01 0.06 0.08 0.00 -0.60 0.00 0.00 56.93 56.48 2q3s s PHE 9 Cb -0.14 -1.60 0.06 0.00 0.51 0.00 0.00 43.02 41.84 2q3s s PHE 9 CO -0.04 0.52 0.59 0.21 0.70 0.00 0.00 175.22 177.19 2q3s s LYS 10 N -2.42 2.30 0.08 0.44 2.20 -1.26 -1.03 119.74 120.06 2q3s s LYS 10 Ca 0.29 -1.81 0.24 0.00 -0.36 0.00 0.00 55.97 54.33 2q3s s LYS 10 Cb -0.12 -2.38 0.24 0.00 -1.51 0.00 0.00 37.83 34.06 2q3s s LYS 10 CO 0.22 -0.71 1.21 0.25 -0.36 0.00 0.00 175.35 175.96 2q3s n THR 12 N -1.98 0.26 -0.70 3.43 -2.24 -1.26 -4.96 114.28 106.83 2q3s n THR 12 Ca 0.07 -0.25 0.08 0.00 -2.27 0.00 0.00 64.05 61.68 2q3s n THR 12 Cb 0.63 0.02 0.22 0.00 -2.10 0.00 0.00 70.33 69.11 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 -2.02 3.57 0.00 3.42 3.85 -1.26 -4.98 116.55 119.12 2q3s n ASP 13 Ca 0.03 -2.66 0.00 0.00 -0.71 0.00 0.00 54.79 51.45 2q3s n ASP 13 Cb 0.43 -0.43 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 2q3s n ASP 13 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2q3s n GLY 14 N -0.13 1.81 3.78 6.12 0.00 -1.26 -5.06 105.19 110.44 2q3s n GLY 14 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2q3s n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2q3s s SER 15 N -3.02 3.26 0.15 1.61 1.04 -1.26 -5.01 113.70 110.48 2q3s s SER 15 Ca 0.00 0.89 0.08 0.00 0.48 0.00 0.00 55.95 57.40 2q3s s SER 15 Cb 0.00 -1.41 -0.04 0.00 0.10 0.00 0.00 66.02 64.67 2q3s s SER 15 CO 0.00 -2.70 -0.17 -0.31 0.98 0.00 0.00 173.24 171.05 2q3s s TYR 16 N -3.29 1.67 -0.12 5.02 1.51 -1.26 -4.31 117.35 116.57 2q3s s TYR 16 Ca 0.65 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 56.21 2q3s s TYR 16 Cb -0.14 -0.84 0.02 0.00 -0.11 0.00 0.00 41.96 40.89 2q3s s TYR 16 CO 0.54 0.27 -0.11 0.08 -1.11 0.00 0.00 175.55 175.21 2q3s s VAL 17 N -2.16 1.29 -0.21 0.71 1.01 -0.20 -4.82 120.40 116.02 2q3s s VAL 17 Ca 0.14 -0.48 -0.25 0.00 0.00 0.00 0.00 61.98 61.40 2q3s s VAL 17 Cb -0.05 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 2q3s s VAL 17 CO 0.05 0.41 0.82 -1.10 0.00 0.00 0.00 175.10 175.28 2q3s s GLN 18 N 1.39 4.24 0.08 2.72 -0.21 -0.48 -1.58 119.66 125.81 2q3s s GLN 18 Ca 0.01 0.96 0.05 0.00 0.02 0.00 0.00 55.36 56.40 2q3s s GLN 18 Cb -0.13 -3.61 -0.04 0.00 1.00 0.00 0.00 33.01 30.23 2q3s s GLN 18 CO -0.06 -0.42 -0.03 0.95 -2.12 0.00 0.00 175.29 173.61 2q3s s THR 19 N 2.49 3.86 -0.03 -0.19 -4.23 -0.76 -1.58 115.64 115.19 2q3s s THR 19 Ca 0.36 -0.99 -0.00 0.00 -1.18 0.00 0.00 61.69 59.88 2q3s s THR 19 Cb -0.16 -2.81 0.03 0.00 1.34 0.00 0.00 72.50 70.90 2q3s s THR 19 CO 0.10 0.17 0.02 -0.75 -0.54 0.00 0.00 174.62 173.61 2q3s s LYS 20 N -2.13 0.13 -0.23 3.99 2.47 0.51 -0.94 119.74 123.53 2q3s s LYS 20 Ca 0.23 0.16 -0.00 0.00 -1.56 0.00 0.00 55.97 54.81 2q3s s LYS 20 Cb -0.11 -0.41 0.03 0.00 -1.46 0.00 0.00 37.83 35.87 2q3s s LYS 20 CO 0.16 -0.18 -0.10 0.99 0.16 0.00 0.00 175.35 176.37 2q3s s THR 21 N 1.23 2.54 0.02 3.43 2.01 -1.26 -1.12 115.64 122.48 2q3s s THR 21 Ca -0.07 -1.13 0.05 0.00 0.31 0.00 0.00 61.69 60.85 2q3s s THR 21 Cb -0.13 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 2q3s s THR 21 CO -0.03 0.23 -0.13 0.27 -0.69 0.00 0.00 174.62 174.28 2q3s s ILE 22 N 1.27 3.17 -0.39 1.82 -5.25 -0.31 -4.97 121.20 116.54 2q3s s ILE 22 Ca -0.01 -0.99 -0.26 0.00 -0.99 0.00 0.00 60.65 58.41 2q3s s ILE 22 Cb -0.16 -2.35 0.02 0.00 2.95 0.00 0.00 42.46 42.91 2q3s s ILE 22 CO -0.07 0.37 0.93 -1.81 -1.79 0.00 0.00 174.94 172.58 2q3s s ASP 23 N -1.39 6.64 -0.43 4.36 1.01 -1.26 -1.97 116.67 123.62 2q3s s ASP 23 Ca 0.16 0.49 -0.24 0.00 0.71 0.00 0.00 52.55 53.66 2q3s s ASP 23 Cb -0.11 -2.46 0.02 0.00 1.01 0.00 0.00 42.92 41.38 2q3s s ASP 23 CO 0.06 -0.90 0.83 -0.69 0.21 0.00 0.00 175.17 174.68 2q3s s VAL 24 N 3.54 4.62 0.38 -1.27 1.01 0.15 -4.88 120.40 123.95 2q3s s VAL 24 Ca 0.38 0.62 0.07 0.00 0.00 0.00 0.00 61.98 63.06 2q3s s VAL 24 Cb -0.11 -4.33 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 2q3s s VAL 24 CO 0.20 -0.69 0.45 -0.83 0.00 0.00 0.00 175.10 174.24 2q3s s GLY 25 N 2.11 1.85 0.00 4.51 0.00 -1.26 -3.27 107.32 111.25 2q3s s GLY 25 Ca 0.32 -1.64 0.02 0.00 0.00 0.00 0.00 44.72 43.42 2q3s s GLY 25 CO 0.22 -1.51 0.43 -1.14 0.00 0.00 0.00 173.10 171.11 2q3s n SER 26 N -1.64 0.00 0.00 1.64 3.41 -1.26 -2.44 113.62 113.33 2q3s n SER 26 Ca 0.03 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 2q3s n SER 26 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2q3s n SER 26 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2q3s n SER 27 N -0.72 2.74 -4.60 4.04 7.64 -1.26 -4.79 113.62 116.66 2q3s n SER 27 Ca 0.02 0.00 -0.57 0.00 1.01 0.00 0.00 58.87 59.32 2q3s n SER 27 Cb 0.01 0.17 -0.07 0.00 -1.01 0.00 0.00 64.21 63.31 2q3s n SER 27 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2q3s n THR 28 N -1.69 0.05 -3.23 0.44 -1.04 -1.02 -4.94 114.28 102.84 2q3s n THR 28 Ca 0.00 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 2q3s n THR 28 Cb 0.30 -0.55 -0.07 0.00 -1.82 0.00 0.00 70.33 68.19 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 1.10 6.50 0.06 8.00 3.68 -1.26 -4.80 116.67 129.95 2q3s s ASP 29 Ca 0.92 0.60 0.22 0.00 2.13 0.00 0.00 52.55 56.42 2q3s s ASP 29 Cb -1.15 -2.29 -0.16 0.00 -1.45 0.00 0.00 42.92 37.86 2q3s s ASP 29 CO 0.58 -0.25 0.77 2.30 0.13 0.00 0.00 175.17 178.69 2q3s n ILE 30 N 4.92 0.23 -0.25 4.11 -5.35 -1.26 -4.41 119.36 117.35 2q3s n ILE 30 Ca -0.04 -0.46 0.13 0.00 -0.27 0.00 0.00 62.75 62.11 2q3s n ILE 30 Cb 0.50 -0.04 0.25 0.00 -1.74 0.00 0.00 39.64 38.61 2q3s n ILE 30 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2q3s n SER 31 N -2.32 -0.03 -0.06 7.28 7.64 -1.26 -0.34 113.62 124.53 2q3s n SER 31 Ca -0.01 1.24 -0.09 0.00 1.01 0.00 0.00 58.87 61.02 2q3s n SER 31 Cb 0.53 -0.48 -0.02 0.00 -1.01 0.00 0.00 64.21 63.23 2q3s n SER 31 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2q3s h PRO 32 N 0.00 -0.29 -0.16 1.43 0.11 -1.99 0.28 132.00 131.37 2q3s h PRO 32 Ca 0.48 0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.46 2q3s h PRO 32 Cb 1.04 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2q3s h PRO 32 CO -0.67 -0.19 -0.45 1.88 -0.21 0.00 0.00 178.00 178.36 2q3s h TYR 33 N -0.30 0.76 -0.53 0.65 0.05 -1.00 -1.57 116.97 115.03 2q3s h TYR 33 Ca 0.14 -0.30 0.03 0.00 0.05 0.00 0.00 58.73 58.65 2q3s h TYR 33 Cb 0.52 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 38.09 2q3s h TYR 33 CO -0.46 1.06 0.31 -0.07 -1.05 0.00 0.00 178.16 177.96 2q3s h LEU 34 N 0.24 0.50 -1.83 3.88 3.38 -1.24 0.24 115.31 120.48 2q3s h LEU 34 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2q3s h LEU 34 Cb 1.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2q3s h LEU 34 CO 0.10 0.35 0.03 0.28 0.09 0.00 0.00 178.44 179.28 2q3s h SER 35 N 0.62 0.12 -0.03 -0.43 0.02 -0.37 0.60 113.55 114.08 2q3s h SER 35 Ca 0.22 -0.01 -0.23 0.00 -0.84 0.00 0.00 61.79 60.93 2q3s h SER 35 Cb 0.04 -0.03 0.02 0.00 0.14 0.00 0.00 62.40 62.57 2q3s h SER 35 CO -0.11 0.12 -0.88 -0.07 -1.14 0.00 0.00 176.83 174.75 2q3s h LEU 36 N 0.14 0.82 -0.43 5.07 3.38 -0.23 -1.08 115.31 122.99 2q3s h LEU 36 Ca 0.04 -0.72 -0.03 0.00 0.09 0.00 0.00 57.88 57.25 2q3s h LEU 36 Cb 0.05 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2q3s h LEU 36 CO -0.00 1.43 0.16 0.40 0.09 0.00 0.00 178.44 180.52 2q3s h ILE 37 N 0.29 1.21 0.22 1.22 1.08 0.77 0.78 117.51 123.07 2q3s h ILE 37 Ca -0.10 -0.65 0.01 0.00 -0.39 0.00 0.00 64.86 63.72 2q3s h ILE 37 Cb 1.55 0.83 -0.02 0.00 -3.07 0.00 0.00 36.82 36.11 2q3s h ILE 37 CO 0.18 0.24 -0.25 -0.09 -0.69 0.00 0.00 178.15 177.53 2q3s h ARG 38 N 0.55 -0.49 -0.16 2.37 2.43 0.16 0.34 114.38 119.57 2q3s h ARG 38 Ca 0.14 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.39 2q3s h ARG 38 Cb 0.21 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 2q3s h ARG 38 CO -0.01 -0.33 -0.22 1.49 -1.51 0.00 0.00 179.97 179.39 2q3s h GLU 39 N -0.51 -0.26 -0.62 0.20 4.81 -0.98 0.28 114.58 117.50 2q3s h GLU 39 Ca 0.00 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 2q3s h GLU 39 Cb 0.49 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 2q3s h GLU 39 CO -0.08 -0.17 0.26 0.22 -0.73 0.00 0.00 179.01 178.51 2q3s h ASP 40 N -0.27 0.82 -0.06 1.04 1.82 -0.57 0.35 116.42 119.55 2q3s h ASP 40 Ca 0.11 -0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.64 2q3s h ASP 40 Cb 0.43 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 40.23 2q3s h ASP 40 CO -0.31 0.73 0.01 -1.28 -1.61 0.00 0.00 179.24 176.77 2q3s h SER 41 N 0.88 0.09 -0.47 2.28 0.87 0.03 0.22 113.55 117.45 2q3s h SER 41 Ca 0.21 -0.24 -0.12 0.00 -1.23 0.00 0.00 61.79 60.41 2q3s h SER 41 Cb 0.16 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2q3s h SER 41 CO -0.02 0.31 -0.18 0.40 -0.53 0.00 0.00 176.83 176.81 2q3s h ILE 42 N -0.13 1.27 0.07 2.23 2.04 0.05 -1.08 117.51 121.96 2q3s h ILE 42 Ca 0.02 -1.34 -0.30 0.00 1.00 0.00 0.00 64.86 64.25 2q3s h ILE 42 Cb 0.26 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 2q3s h ILE 42 CO 0.00 0.46 -1.57 -0.07 0.00 0.00 0.00 178.15 176.97 2q3s h LEU 43 N 0.85 0.22 0.00 1.44 3.38 -0.29 -3.42 115.31 117.48 2q3s h LEU 43 Ca 0.12 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2q3s h LEU 43 Cb 0.75 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2q3s h LEU 43 CO 0.06 1.30 -0.60 0.59 0.09 0.00 0.00 178.44 179.88 2q3s n ASN 44 N -3.32 2.49 -1.00 -0.43 3.02 0.59 -4.87 115.26 111.74 2q3s n ASN 44 Ca -0.16 -0.25 -0.02 0.00 -0.03 0.00 0.00 54.58 54.12 2q3s n ASN 44 Cb 1.03 1.04 0.18 0.00 -0.61 0.00 0.00 39.78 41.43 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 1.76 5.20 3.16 7.41 0.00 -0.19 -4.77 105.19 117.76 2q3s n GLY 45 Ca -0.00 -1.43 -0.18 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.08 -2.72 -2.32 1.61 5.03 -1.15 -2.10 115.26 112.53 2q3s n ASN 46 Ca 0.28 -0.18 -0.19 0.00 0.87 0.00 0.00 54.58 55.36 2q3s n ASN 46 Cb 0.85 -2.32 -0.02 0.00 -1.02 0.00 0.00 39.78 37.27 2q3s n ASN 46 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2q3s n ARG 47 N -3.29 -1.75 -4.43 3.52 1.74 -0.84 -4.90 116.66 106.70 2q3s n ARG 47 Ca -0.01 0.96 -0.35 0.00 -0.77 0.00 0.00 57.85 57.68 2q3s n ARG 47 Cb 0.53 -5.58 -0.10 0.00 -1.02 0.00 0.00 32.46 26.29 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 -2.93 3.21 -0.19 7.54 0.00 -0.89 -0.27 121.76 128.23 2q3s s ALA 48 Ca 0.00 -0.84 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 2q3s s ALA 48 Cb 0.00 -1.41 0.05 0.00 0.00 0.00 0.00 23.12 21.76 2q3s s ALA 48 CO 0.00 0.59 -0.05 0.08 0.00 0.00 0.00 175.76 176.38 2q3s s VAL 49 N -0.88 1.23 0.44 0.00 1.01 -0.85 -4.78 120.40 116.56 2q3s s VAL 49 Ca 0.14 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 61.14 2q3s s VAL 49 Cb -0.11 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.74 2q3s s VAL 49 CO 0.03 0.05 0.91 -0.63 0.00 0.00 0.00 175.10 175.46 2q3s s ILE 50 N 1.57 4.54 0.17 2.22 1.09 -0.91 -2.19 121.20 127.70 2q3s s ILE 50 Ca -0.01 1.19 -0.16 0.00 -1.10 0.00 0.00 60.65 60.56 2q3s s ILE 50 Cb -0.16 -3.67 0.03 0.00 -1.06 0.00 0.00 42.46 37.60 2q3s s ILE 50 CO -0.07 -0.47 0.47 0.72 -0.10 0.00 0.00 174.94 175.48 2q3s s PHE 51 N -2.35 -0.10 0.02 3.97 -0.12 0.12 -1.78 117.98 117.73 2q3s s PHE 51 Ca 0.58 -0.23 -0.15 0.00 -0.05 0.00 0.00 56.93 57.08 2q3s s PHE 51 Cb -0.10 0.32 0.03 0.00 -0.63 0.00 0.00 43.02 42.63 2q3s s PHE 51 CO 0.23 -0.83 0.33 0.34 -0.05 0.00 0.00 175.22 175.24 2q3s s ASP 52 N -2.86 -0.19 0.16 1.98 -1.08 -0.72 -4.49 116.67 109.47 2q3s s ASP 52 Ca 0.08 -0.02 0.09 0.00 -0.52 0.00 0.00 52.55 52.17 2q3s s ASP 52 Cb 0.00 0.36 -0.04 0.00 -1.46 0.00 0.00 42.92 41.78 2q3s s ASP 52 CO -0.05 -0.56 -0.19 0.68 0.52 0.00 0.00 175.17 175.57 2q3s s VAL 53 N -2.01 1.85 -0.04 1.11 -7.23 -1.26 -0.76 120.40 112.06 2q3s s VAL 53 Ca -0.09 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.24 2q3s s VAL 53 Cb -0.03 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 35.09 2q3s s VAL 53 CO 0.00 -0.26 -0.12 -0.31 -0.31 0.00 0.00 175.10 174.10 2q3s s TYR 54 N -1.88 1.28 0.00 2.82 1.51 0.71 -4.98 117.35 116.81 2q3s s TYR 54 Ca 0.15 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 2q3s s TYR 54 Cb -0.07 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 2q3s s TYR 54 CO 0.07 -0.16 0.01 -1.58 -1.11 0.00 0.00 175.55 172.78 2q3s s TRP 55 N 0.25 3.10 -0.36 2.71 0.52 -1.26 0.15 118.94 124.05 2q3s s TRP 55 Ca -0.06 0.09 -0.17 0.00 0.02 0.00 0.00 56.10 55.98 2q3s s TRP 55 Cb -0.11 -1.67 -0.00 0.00 -1.15 0.00 0.00 33.47 30.54 2q3s s TRP 55 CO 0.02 0.47 0.46 0.34 0.02 0.00 0.00 176.95 178.26 2q3s s ASP 56 N -1.62 6.26 -0.28 2.95 3.68 0.15 -4.77 116.67 123.04 2q3s s ASP 56 Ca 0.20 -0.19 -0.22 0.00 2.13 0.00 0.00 52.55 54.47 2q3s s ASP 56 Cb -0.12 -2.24 -0.01 0.00 -1.45 0.00 0.00 42.92 39.11 2q3s s ASP 56 CO 0.11 -0.46 0.72 0.68 0.13 0.00 0.00 175.17 176.36 2q3s s VAL 57 N 2.25 4.88 0.25 1.11 -7.23 -1.26 -1.72 120.40 118.67 2q3s s VAL 57 Ca 0.16 1.17 0.08 0.00 -1.81 0.00 0.00 61.98 61.58 2q3s s VAL 57 Cb -0.16 -4.06 -0.04 0.00 0.56 0.00 0.00 36.38 32.68 2q3s s VAL 57 CO 0.13 -0.13 0.07 -0.83 -0.31 0.00 0.00 175.10 174.03 2q3s s GLY 58 N 1.54 1.57 -0.37 2.32 0.00 0.45 -4.98 107.32 107.84 2q3s s GLY 58 Ca 0.30 -1.54 -0.05 0.00 0.00 0.00 0.00 44.72 43.43 2q3s s GLY 58 CO 0.10 -1.59 0.15 -1.36 0.00 0.00 0.00 173.10 170.41 2q3s s PHE 59 N -2.20 3.39 0.00 1.90 2.99 -1.26 -4.37 117.98 118.43 2q3s s PHE 59 Ca 0.32 -1.88 0.00 0.00 0.00 0.00 0.00 56.93 55.37 2q3s s PHE 59 Cb -0.07 -2.71 0.00 0.00 0.00 0.00 0.00 43.02 40.24 2q3s s PHE 59 CO 0.22 -0.86 0.00 2.41 -0.00 0.00 0.00 175.22 176.99 2q3s n THR 66 N 4.72 0.00 0.32 0.64 -1.04 -1.26 -4.66 114.28 113.00 2q3s n THR 66 Ca -0.09 0.00 0.22 0.00 -2.04 0.00 0.00 64.05 62.14 2q3s n THR 66 Cb 0.43 0.00 1.11 0.00 -1.82 0.00 0.00 70.33 70.05 2q3s n THR 66 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2q3s h LYS 67 N 0.22 0.00 -0.12 -2.82 6.56 -2.05 -0.80 116.57 117.57 2q3s h LYS 67 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2q3s h LYS 67 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2q3s h LYS 67 CO 0.00 0.00 0.00 0.25 -2.06 0.00 0.00 179.45 177.64 2q3s n THR 68 N -3.06 0.13 0.66 -0.16 -2.24 -1.26 -4.15 114.28 104.19 2q3s n THR 68 Ca -0.02 -0.48 0.08 0.00 -2.27 0.00 0.00 64.05 61.36 2q3s n THR 68 Cb 0.12 1.04 0.39 0.00 -2.10 0.00 0.00 70.33 69.78 2q3s n THR 68 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2q3s n SER 69 N 1.00 0.00 0.00 3.42 2.88 -0.30 -2.43 113.62 118.19 2q3s n SER 69 Ca 0.16 0.38 0.14 0.00 -1.33 0.00 0.00 58.87 58.22 2q3s n SER 69 Cb 0.52 -0.44 0.68 0.00 -0.75 0.00 0.00 64.21 64.21 2q3s n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2q3s n GLY 70 N 0.26 -1.25 3.79 0.46 0.00 -1.26 -4.85 105.19 102.33 2q3s n GLY 70 Ca 0.05 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.65 3.73 -0.08 1.61 0.52 -1.02 -0.41 118.94 120.64 2q3s s TRP 71 Ca 0.24 1.66 -0.04 0.00 0.02 0.00 0.00 56.10 57.98 2q3s s TRP 71 Cb 0.19 -2.82 0.04 0.00 -1.15 0.00 0.00 33.47 29.73 2q3s s TRP 71 CO 0.44 0.31 0.19 -1.12 0.02 0.00 0.00 176.95 176.79 2q3s s SER 72 N -1.53 -0.16 -0.09 2.95 0.01 -0.70 -4.93 113.70 109.24 2q3s s SER 72 Ca 0.45 0.41 -0.30 0.00 1.31 0.00 0.00 55.95 57.82 2q3s s SER 72 Cb -0.19 0.29 -0.08 0.00 0.21 0.00 0.00 66.02 66.25 2q3s s SER 72 CO 0.24 -0.16 2.06 -0.11 0.41 0.00 0.00 173.24 175.68 2q3s n LEU 73 N 4.25 3.63 -0.05 2.44 7.94 -1.26 0.35 117.00 134.30 2q3s n LEU 73 Ca -0.26 0.64 -0.08 0.00 -1.11 0.00 0.00 56.01 55.20 2q3s n LEU 73 Cb 0.52 -1.50 -0.14 0.00 0.53 0.00 0.00 43.42 42.83 2q3s n LEU 73 CO 0.16 -0.20 -0.77 -0.24 -1.11 0.00 0.00 177.39 175.23 2q3s n SER 74 N 9.00 0.50 -3.67 1.96 2.88 0.40 -4.79 113.62 119.91 2q3s n SER 74 Ca 0.25 0.24 -0.03 0.00 -1.33 0.00 0.00 58.87 58.00 2q3s n SER 74 Cb 0.39 0.42 -0.01 0.00 -0.75 0.00 0.00 64.21 64.27 2q3s n SER 74 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2q3s s SER 75 N -5.79 -0.17 0.02 -3.46 1.04 -0.84 -2.16 113.70 102.34 2q3s s SER 75 Ca -0.07 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2q3s s SER 75 Cb 0.07 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 2q3s s SER 75 CO 0.83 -0.65 -0.03 -0.69 0.98 0.00 0.00 173.24 173.67 2q3s s VAL 76 N -2.97 0.18 -0.11 5.02 1.01 -0.91 -0.21 120.40 122.41 2q3s s VAL 76 Ca 0.11 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2q3s s VAL 76 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 2q3s s VAL 76 CO -0.02 -0.34 -0.15 -0.75 0.00 0.00 0.00 175.10 173.84 2q3s s LYS 77 N -1.11 3.12 -0.17 2.72 2.20 0.06 -1.91 119.74 124.65 2q3s s LYS 77 Ca -0.11 -0.71 -0.02 0.00 -0.36 0.00 0.00 55.97 54.77 2q3s s LYS 77 Cb -0.08 -2.52 0.05 0.00 -1.51 0.00 0.00 37.83 33.77 2q3s s LYS 77 CO -0.01 0.31 -0.00 -0.51 -0.36 0.00 0.00 175.35 174.79 2q3s s LEU 78 N 0.08 1.27 -0.15 5.43 1.43 -1.06 -1.75 118.68 123.94 2q3s s LEU 78 Ca -0.06 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 2q3s s LEU 78 Cb -0.15 -0.69 -0.00 0.00 0.03 0.00 0.00 46.19 45.38 2q3s s LEU 78 CO 0.05 -0.25 -0.15 -0.44 0.23 0.00 0.00 176.35 175.79 2q3s s SER 79 N 1.79 3.69 0.40 2.29 0.01 -0.73 -1.55 113.70 119.60 2q3s s SER 79 Ca 0.00 -0.45 0.07 0.00 1.31 0.00 0.00 55.95 56.88 2q3s s SER 79 Cb -0.16 -1.57 -0.08 0.00 0.21 0.00 0.00 66.02 64.43 2q3s s SER 79 CO -0.07 0.10 0.00 0.42 0.41 0.00 0.00 173.24 174.10 2q3s s THR 80 N 0.73 1.96 0.05 1.44 -4.23 0.34 -2.14 115.64 113.80 2q3s s THR 80 Ca -0.07 -2.02 -0.02 0.00 -1.18 0.00 0.00 61.69 58.40 2q3s s THR 80 Cb -0.15 -2.94 0.09 0.00 1.34 0.00 0.00 72.50 70.83 2q3s s THR 80 CO 0.01 -0.02 0.31 -1.14 -0.54 0.00 0.00 174.62 173.23 2q3s n ARG 81 N -0.92 -0.02 0.00 3.99 3.00 -1.26 -1.97 116.66 119.47 2q3s n ARG 81 Ca -0.05 0.31 0.00 0.00 -0.00 0.00 0.00 57.85 58.11 2q3s n ARG 81 Cb 0.67 -0.46 0.00 0.00 0.00 0.00 0.00 32.46 32.67 2q3s n ARG 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2q3s n ASN 82 N -4.32 1.05 -4.12 6.15 3.02 -1.26 -4.93 115.26 110.85 2q3s n ASN 82 Ca 0.03 -1.26 -0.19 0.00 -0.03 0.00 0.00 54.58 53.14 2q3s n ASN 82 Cb 0.10 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.14 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 -0.26 2.18 -0.18 3.41 1.43 -0.83 -1.38 118.68 123.04 2q3s s LEU 83 Ca 0.00 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 2q3s s LEU 83 Cb 0.00 -0.52 0.05 0.00 0.03 0.00 0.00 46.19 45.75 2q3s s LEU 83 CO 0.00 -0.00 -0.01 0.00 0.23 0.00 0.00 176.35 176.57 2q3s s LEU 85 N 1.72 4.05 -0.36 0.00 2.96 -0.59 -0.36 118.68 126.09 2q3s s LEU 85 Ca -0.01 -0.90 -0.11 0.00 -0.22 0.00 0.00 54.13 52.89 2q3s s LEU 85 Cb -0.16 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.66 2q3s s LEU 85 CO -0.07 -0.25 0.21 0.12 -1.32 0.00 0.00 176.35 175.03 2q3s s PHE 86 N 1.46 3.22 -0.23 5.38 5.36 -0.28 -2.55 117.98 130.35 2q3s s PHE 86 Ca 0.01 -0.73 -0.09 0.00 -0.96 0.00 0.00 56.93 55.16 2q3s s PHE 86 Cb -0.18 -2.44 -0.04 0.00 -0.34 0.00 0.00 43.02 40.02 2q3s s PHE 86 CO 0.03 -0.56 0.11 -0.51 -1.46 0.00 0.00 175.22 172.83 2q3s s LEU 87 N 1.60 3.84 -0.30 6.12 1.43 -0.81 -1.16 118.68 129.41 2q3s s LEU 87 Ca 0.04 0.01 -0.09 0.00 -1.03 0.00 0.00 54.13 53.05 2q3s s LEU 87 Cb -0.18 -2.02 -0.00 0.00 0.03 0.00 0.00 46.19 44.01 2q3s s LEU 87 CO 0.07 0.06 0.12 -0.13 0.23 0.00 0.00 176.35 176.70 2q3s s ARG 88 N 1.09 3.30 -0.04 1.70 0.52 -0.83 -2.15 118.95 122.54 2q3s s ARG 88 Ca 0.06 -0.73 -0.19 0.00 -0.52 0.00 0.00 55.73 54.34 2q3s s ARG 88 Cb -0.14 -3.49 -0.05 0.00 0.52 0.00 0.00 34.95 31.79 2q3s s ARG 88 CO 0.04 -0.40 0.55 -0.51 0.02 0.00 0.00 175.30 175.00 2q3s s LEU 89 N 1.58 4.38 0.00 2.53 1.43 -0.92 0.33 118.68 128.01 2q3s s LEU 89 Ca 0.04 1.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 2q3s s LEU 89 Cb -0.17 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.22 2q3s s LEU 89 CO 0.05 0.09 0.00 -0.81 0.23 0.00 0.00 176.35 175.91 2q3s n PRO 90 N 2.93 2.76 -3.33 1.29 -0.04 -1.20 -4.92 135.00 132.50 2q3s n PRO 90 Ca -0.07 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.42 2q3s n PRO 90 Cb 0.51 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.93 2q3s n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2q3s s LYS 91 N 0.00 0.09 0.94 0.54 2.20 -1.26 -4.74 119.74 117.51 2q3s s LYS 91 Ca 0.00 0.21 -0.13 0.00 -0.36 0.00 0.00 55.97 55.69 2q3s s LYS 91 Cb 0.00 0.10 0.21 0.00 -1.51 0.00 0.00 37.83 36.63 2q3s s LYS 91 CO 0.00 -0.03 1.28 -1.25 -0.36 0.00 0.00 175.35 175.00 2q3s s PRO 92 N 1.87 0.59 1.09 4.03 0.04 -1.26 -5.13 135.00 136.23 2q3s s PRO 92 Ca -0.02 -0.71 -0.13 0.00 0.04 0.00 0.00 61.00 60.19 2q3s s PRO 92 Cb -0.02 -1.94 0.24 0.00 0.04 0.00 0.00 34.50 32.82 2q3s s PRO 92 CO -0.15 -2.38 1.06 -0.06 0.04 0.00 0.00 177.00 175.52 2q3s s PHE 93 N -3.79 1.76 0.17 0.56 0.40 -1.26 -5.04 117.98 110.78 2q3s s PHE 93 Ca 0.75 1.03 -0.08 0.00 -0.60 0.00 0.00 56.93 58.03 2q3s s PHE 93 Cb -0.02 -3.20 -0.01 0.00 0.51 0.00 0.00 43.02 40.30 2q3s s PHE 93 CO 0.52 -3.39 0.28 -1.01 0.70 0.00 0.00 175.22 172.32 2q3s s HIS 94 N -2.75 0.46 0.40 0.36 3.76 -1.26 -5.04 115.29 111.21 2q3s s HIS 94 Ca 0.67 -0.81 0.28 0.00 -0.15 0.00 0.00 55.06 55.05 2q3s s HIS 94 Cb -0.21 -0.09 1.37 0.00 1.11 0.00 0.00 32.58 34.76 2q3s s HIS 94 CO 0.61 -0.72 1.46 -0.25 -0.85 0.00 0.00 174.74 174.99 2q3s n ASP 95 N -0.22 0.22 0.25 1.40 9.92 -1.26 -0.49 116.55 126.37 2q3s n ASP 95 Ca -0.06 1.35 0.09 0.00 -0.53 0.00 0.00 54.79 55.63 2q3s n ASP 95 Cb 0.63 -0.66 0.63 0.00 -0.64 0.00 0.00 41.12 41.08 2q3s n ASP 95 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2q3s h ASN 96 N 0.00 0.00 0.73 -2.24 -1.07 -1.90 -0.70 115.58 110.40 2q3s h ASN 96 Ca 0.82 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.19 2q3s h ASN 96 Cb 2.54 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.79 2q3s h ASN 96 CO -0.50 0.10 0.00 0.18 0.07 0.00 0.00 177.43 177.29 2q3s n LEU 97 N -4.19 0.00 0.24 6.14 4.77 0.35 -3.13 117.00 121.18 2q3s n LEU 97 Ca -0.03 0.44 0.13 0.00 -0.03 0.00 0.00 56.01 56.52 2q3s n LEU 97 Cb 0.18 -0.44 0.76 0.00 -2.33 0.00 0.00 43.42 41.59 2q3s n LEU 97 CO 0.33 -0.08 1.11 0.11 -1.33 0.00 0.00 177.39 177.54 2q3s h LYS 98 N 0.00 0.00 -0.16 3.23 1.57 -1.25 -0.39 116.57 119.57 2q3s h LYS 98 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2q3s h LYS 98 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2q3s h LYS 98 CO 0.00 0.00 -0.26 -0.44 -0.57 0.00 0.00 179.45 178.18 2q3s h ASP 99 N 0.00 0.30 -0.19 0.86 3.45 -1.74 -2.00 116.42 117.11 2q3s h ASP 99 Ca 0.03 -0.09 -0.13 0.00 0.43 0.00 0.00 57.03 57.27 2q3s h ASP 99 Cb 0.15 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 2q3s h ASP 99 CO -0.00 0.56 -0.33 0.25 -1.57 0.00 0.00 179.24 178.16 2q3s h LEU 100 N 0.27 0.72 -0.70 1.55 5.85 -1.28 -2.28 115.31 119.44 2q3s h LEU 100 Ca 0.04 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 2q3s h LEU 100 Cb 0.61 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2q3s h LEU 100 CO 0.04 0.99 0.36 1.88 -0.34 0.00 0.00 178.44 181.37 2q3s h TYR 101 N 0.59 0.99 -0.48 1.25 -1.99 -1.30 -1.62 116.97 114.40 2q3s h TYR 101 Ca 0.06 -0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.73 2q3s h TYR 101 Cb 0.84 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 39.24 2q3s h TYR 101 CO 0.04 0.72 0.20 0.00 -0.00 0.00 0.00 178.16 179.12 2q3s h ARG 102 N 0.97 0.72 0.69 4.88 3.08 -1.24 -2.76 114.38 120.73 2q3s h ARG 102 Ca 0.24 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 2q3s h ARG 102 Cb 0.08 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 2q3s h ARG 102 CO -0.03 0.64 -0.41 0.35 -1.07 0.00 0.00 179.97 179.45 2q3s h PHE 103 N 0.64 -1.08 0.00 3.04 3.57 -1.26 -2.34 116.94 119.52 2q3s h PHE 103 Ca 0.16 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2q3s h PHE 103 Cb 0.19 0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.31 2q3s h PHE 103 CO 0.00 -0.62 0.11 0.74 -2.23 0.00 0.00 178.31 176.31 2q3s h PHE 104 N -1.03 0.00 -0.02 0.41 0.05 -1.26 -1.52 116.94 113.58 2q3s h PHE 104 Ca -0.09 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.70 2q3s h PHE 104 Cb 0.82 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.77 2q3s h PHE 104 CO -0.09 0.00 -0.06 0.00 -0.18 0.00 0.00 178.31 177.98 2q3s n ALA 105 N -1.84 2.67 -1.62 2.45 0.00 -0.89 -3.85 120.51 117.43 2q3s n ALA 105 Ca -0.02 -0.48 -0.33 0.00 0.00 0.00 0.00 53.44 52.62 2q3s n ALA 105 Cb 0.16 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 18.53 2q3s n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2q3s s SER 106 N -2.10 5.59 -0.04 0.00 0.15 -0.57 -4.58 113.70 112.14 2q3s s SER 106 Ca 0.34 1.87 0.12 0.00 0.70 0.00 0.00 55.95 58.98 2q3s s SER 106 Cb 0.20 -2.54 0.36 0.00 -1.71 0.00 0.00 66.02 62.34 2q3s s SER 106 CO 0.37 -1.30 1.30 0.29 1.20 0.00 0.00 173.24 175.10 2q3s n LYS 107 N -2.16 2.90 0.12 5.44 5.02 -1.26 -4.35 118.16 123.88 2q3s n LYS 107 Ca 0.09 -2.23 -0.02 0.00 -2.02 0.00 0.00 58.31 54.13 2q3s n LYS 107 Cb 0.53 -1.40 0.11 0.00 -0.02 0.00 0.00 35.03 34.25 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 2.06 0.00 -4.09 2.13 -1.00 -1.94 -3.46 116.94 110.64 2q3s h PHE 108 Ca 0.00 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.63 2q3s h PHE 108 Cb 0.89 0.00 -0.18 0.00 3.61 0.00 0.00 35.95 40.26 2q3s h PHE 108 CO 0.30 0.68 -0.69 0.14 -1.61 0.00 0.00 178.31 177.13 2q3s s VAL 109 N -3.39 0.16 -0.17 -0.55 -7.23 -1.26 -4.81 120.40 103.16 2q3s s VAL 109 Ca -0.01 -1.29 -0.17 0.00 -1.81 0.00 0.00 61.98 58.70 2q3s s VAL 109 Cb 0.12 -0.80 -0.04 0.00 0.56 0.00 0.00 36.38 36.22 2q3s s VAL 109 CO 0.77 -0.71 0.43 -0.89 -0.31 0.00 0.00 175.10 174.39 2q3s s THR 110 N -2.50 5.19 -0.34 5.32 2.01 0.63 -4.81 115.64 121.14 2q3s s THR 110 Ca -0.06 0.81 -0.25 0.00 0.31 0.00 0.00 61.69 62.50 2q3s s THR 110 Cb -0.02 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.73 2q3s s THR 110 CO -0.05 0.27 0.90 -0.36 -0.69 0.00 0.00 174.62 174.69 2q3s s PHE 111 N 1.08 3.13 -0.24 4.92 0.08 0.16 -2.02 117.98 125.10 2q3s s PHE 111 Ca 0.22 0.84 -0.04 0.00 0.12 0.00 0.00 56.93 58.07 2q3s s PHE 111 Cb -0.15 -3.50 -0.00 0.00 -0.57 0.00 0.00 43.02 38.80 2q3s s PHE 111 CO 0.08 -0.73 -0.01 0.08 -0.10 0.00 0.00 175.22 174.54 2q3s s VAL 112 N 3.31 3.48 0.26 -0.44 1.01 -0.93 0.18 120.40 127.28 2q3s s VAL 112 Ca 0.37 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.82 2q3s s VAL 112 Cb -0.13 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 2q3s s VAL 112 CO 0.16 0.32 0.16 0.61 0.00 0.00 0.00 175.10 176.35 2q3s n GLY 113 N 4.80 3.35 3.15 4.51 0.00 -1.02 -0.71 105.19 119.28 2q3s n GLY 113 Ca -0.17 -1.93 -0.25 0.00 0.00 0.00 0.00 46.02 43.66 2q3s n GLY 113 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2q3s s VAL 114 N -2.82 1.39 -1.37 1.61 1.01 -1.26 -1.01 120.40 117.95 2q3s s VAL 114 Ca 0.22 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 2q3s s VAL 114 Cb 0.01 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.23 2q3s s VAL 114 CO 0.16 0.40 0.38 0.00 0.00 0.00 0.00 175.10 176.04 2q3s n GLN 115 N 2.82 -1.15 -0.10 2.72 1.13 -1.26 -4.86 117.38 116.69 2q3s n GLN 115 Ca -0.16 0.18 0.12 0.00 -1.94 0.00 0.00 57.00 55.20 2q3s n GLN 115 Cb 0.54 -3.45 0.21 0.00 0.11 0.00 0.00 30.24 27.65 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 -4.68 0.25 0.21 5.09 -5.35 -1.26 -4.55 119.36 109.07 2q3s n ILE 116 Ca -0.23 -0.58 -0.16 0.00 -0.27 0.00 0.00 62.75 61.50 2q3s n ILE 116 Cb 0.64 1.09 -0.08 0.00 -1.74 0.00 0.00 39.64 39.54 2q3s n ILE 116 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2q3s h GLU 117 N 4.23 -0.78 -0.72 6.28 4.81 -1.99 0.42 114.58 126.83 2q3s h GLU 117 Ca 0.00 0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 2q3s h GLU 117 Cb 0.92 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 2q3s h GLU 117 CO 0.00 -0.52 0.24 0.93 -0.73 0.00 0.00 179.01 178.93 2q3s h GLU 118 N -0.81 1.10 -0.64 1.92 4.39 -2.00 -2.31 114.58 116.23 2q3s h GLU 118 Ca -0.02 -0.22 0.11 0.00 0.34 0.00 0.00 59.36 59.57 2q3s h GLU 118 Cb 0.75 -0.17 -0.08 0.00 -0.10 0.00 0.00 28.75 29.15 2q3s h GLU 118 CO -0.14 0.93 0.21 -0.44 -1.16 0.00 0.00 179.01 178.40 2q3s h ASP 119 N 1.06 0.15 0.03 1.42 3.32 -1.61 0.13 116.42 120.93 2q3s h ASP 119 Ca 0.23 0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.27 2q3s h ASP 119 Cb 0.28 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2q3s h ASP 119 CO -0.01 0.08 -0.36 -0.07 -1.72 0.00 0.00 179.24 177.16 2q3s h LEU 120 N 0.36 0.46 -0.38 1.55 3.38 0.33 -0.69 115.31 120.33 2q3s h LEU 120 Ca 0.34 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 2q3s h LEU 120 Cb 0.47 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2q3s h LEU 120 CO -0.37 0.79 -0.34 0.44 0.09 0.00 0.00 178.44 179.05 2q3s h ASP 121 N 0.38 0.96 0.02 -0.43 3.32 -0.67 -2.36 116.42 117.63 2q3s h ASP 121 Ca 0.04 -0.46 -0.12 0.00 0.02 0.00 0.00 57.03 56.51 2q3s h ASP 121 Cb 0.81 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2q3s h ASP 121 CO 0.07 1.22 -0.39 -0.07 -1.72 0.00 0.00 179.24 178.34 2q3s h LEU 122 N 0.72 0.51 0.40 1.55 3.38 -0.61 -2.77 115.31 118.49 2q3s h LEU 122 Ca 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2q3s h LEU 122 Cb 0.93 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2q3s h LEU 122 CO 0.09 0.86 -0.24 -0.07 0.09 0.00 0.00 178.44 179.16 2q3s h LEU 123 N 0.40 -0.60 -0.24 1.67 3.38 -0.98 -2.60 115.31 116.35 2q3s h LEU 123 Ca 0.04 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2q3s h LEU 123 Cb 0.87 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2q3s h LEU 123 CO 0.07 -0.38 0.06 -0.09 0.09 0.00 0.00 178.44 178.19 2q3s h ARG 124 N -0.61 0.39 -0.70 1.13 2.43 -1.27 -1.49 114.38 114.26 2q3s h ARG 124 Ca -0.04 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2q3s h ARG 124 Cb 0.50 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 2q3s h ARG 124 CO 0.05 0.49 0.45 0.93 -1.51 0.00 0.00 179.97 180.39 2q3s h GLU 125 N 0.22 0.89 0.00 0.20 5.08 -1.55 -2.12 114.58 117.30 2q3s h GLU 125 Ca 0.08 -0.05 -0.37 0.00 -1.00 0.00 0.00 59.36 58.02 2q3s h GLU 125 Cb 0.28 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.26 2q3s h GLU 125 CO 0.00 0.59 -2.38 0.09 -1.00 0.00 0.00 179.01 176.31 2q3s n ASN 126 N -4.62 0.24 -0.00 1.42 5.03 -0.98 -4.66 115.26 111.69 2q3s n ASN 126 Ca 0.07 -0.01 0.04 0.00 0.87 0.00 0.00 54.58 55.54 2q3s n ASN 126 Cb 0.04 0.87 -0.05 0.00 -1.02 0.00 0.00 39.78 39.61 2q3s n ASN 126 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2q3s n HIS 127 N -2.79 0.00 -1.38 3.10 8.25 -0.58 -4.97 115.22 116.84 2q3s n HIS 127 Ca -0.34 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.00 2q3s n HIS 127 Cb 1.14 -0.03 -0.05 0.00 1.12 0.00 0.00 29.99 32.17 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 1.32 1.22 3.60 -1.41 0.00 -0.80 -4.96 105.19 104.17 2q3s n GLY 128 Ca 0.01 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.72 4.11 -0.17 0.99 0.20 -1.15 -4.94 118.68 115.00 2q3s s LEU 129 Ca 0.00 0.41 -0.05 0.00 0.69 0.00 0.00 54.13 55.19 2q3s s LEU 129 Cb 0.00 -2.66 -0.03 0.00 -0.43 0.00 0.00 46.19 43.08 2q3s s LEU 129 CO 0.00 -0.33 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.02 2q3s s VAL 130 N 2.35 4.07 -0.40 1.68 1.01 -1.26 -2.83 120.40 125.02 2q3s s VAL 130 Ca 0.21 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 2q3s s VAL 130 Cb -0.16 -2.81 0.10 0.00 0.00 0.00 0.00 36.38 33.52 2q3s s VAL 130 CO 0.10 0.48 0.20 -0.63 0.00 0.00 0.00 175.10 175.25 2q3s s ILE 131 N 0.48 3.52 0.22 2.22 1.01 -1.26 -3.85 121.20 123.54 2q3s s ILE 131 Ca -0.02 -1.81 0.03 0.00 0.00 0.00 0.00 60.65 58.85 2q3s s ILE 131 Cb -0.14 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 2q3s s ILE 131 CO 0.02 -0.59 1.54 0.03 0.00 0.00 0.00 174.94 175.95 2q3s h ARG 132 N 8.15 0.31 -3.16 2.79 3.08 -1.81 -3.37 114.38 120.36 2q3s h ARG 132 Ca -0.17 -0.21 -0.63 0.00 0.07 0.00 0.00 59.98 59.05 2q3s h ARG 132 Cb 1.06 0.03 -0.42 0.00 0.08 0.00 0.00 29.97 30.72 2q3s h ARG 132 CO 0.70 0.82 -0.58 1.21 -1.07 0.00 0.00 179.97 181.05 2q3s s ASN 133 N -6.91 4.72 0.10 7.04 2.47 -1.26 -5.07 114.94 116.03 2q3s s ASN 133 Ca -0.05 -3.65 0.08 0.00 0.42 0.00 0.00 52.86 49.66 2q3s s ASN 133 Cb 0.12 -1.64 -0.03 0.00 -1.45 0.00 0.00 41.25 38.24 2q3s s ASN 133 CO 0.81 -0.12 -0.20 0.00 -3.72 0.00 0.00 177.10 173.86 2q3s s ALA 134 N -1.17 1.75 -0.03 1.71 0.00 -1.26 0.36 121.76 123.11 2q3s s ALA 134 Ca 0.23 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 2q3s s ALA 134 Cb -0.10 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.82 2q3s s ALA 134 CO -0.12 0.35 0.05 -1.50 0.00 0.00 0.00 175.76 174.53 2q3s s ILE 135 N -1.17 -0.06 -0.79 0.00 2.07 0.13 -4.90 121.20 116.48 2q3s s ILE 135 Ca 0.06 0.34 -0.26 0.00 -1.41 0.00 0.00 60.65 59.38 2q3s s ILE 135 Cb -0.10 -0.15 0.01 0.00 0.13 0.00 0.00 42.46 42.35 2q3s s ILE 135 CO 0.04 0.15 1.55 0.21 -1.91 0.00 0.00 174.94 174.98 2q3s s ASN 136 N 1.77 5.88 0.57 4.50 2.47 -1.26 -2.43 114.94 126.44 2q3s s ASN 136 Ca -0.00 -0.50 0.33 0.00 0.42 0.00 0.00 52.86 53.11 2q3s s ASN 136 Cb -0.12 -2.55 1.75 0.00 -1.45 0.00 0.00 41.25 38.87 2q3s s ASN 136 CO -0.03 -2.02 2.17 1.62 -3.72 0.00 0.00 177.10 175.12 2q3s h VAL 137 N 6.57 0.37 -0.15 -5.21 3.04 -1.45 -3.13 116.25 116.29 2q3s h VAL 137 Ca -0.12 -0.29 -0.04 0.00 -1.01 0.00 0.00 66.70 65.23 2q3s h VAL 137 Cb 1.06 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 31.54 2q3s h VAL 137 CO 1.29 0.05 -0.08 1.23 -1.01 0.00 0.00 177.57 179.05 2q3s h GLY 138 N 0.60 0.24 0.65 3.17 0.00 -1.82 -1.74 103.07 104.17 2q3s h GLY 138 Ca -0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 2q3s h GLY 138 CO 0.01 0.13 -0.01 1.70 0.00 0.00 0.00 176.54 178.37 2q3s h LYS 139 N 0.22 -0.02 0.34 4.80 3.64 -1.79 0.56 116.57 124.33 2q3s h LYS 139 Ca 0.05 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2q3s h LYS 139 Cb 0.29 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2q3s h LYS 139 CO 0.01 0.33 -0.27 1.25 -2.27 0.00 0.00 179.45 178.51 2q3s h LEU 140 N -0.37 -0.70 -0.66 5.20 5.85 -1.69 -1.98 115.31 120.95 2q3s h LEU 140 Ca -0.00 0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.89 2q3s h LEU 140 Cb 0.36 0.22 -0.12 0.00 0.37 0.00 0.00 40.66 41.49 2q3s h LEU 140 CO 0.00 -0.40 -0.32 0.00 -0.34 0.00 0.00 178.44 177.38 2q3s h ALA 141 N -0.02 0.05 -0.23 1.25 0.00 -1.17 1.06 119.26 120.19 2q3s h ALA 141 Ca -0.03 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2q3s h ALA 141 Cb 0.53 0.79 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2q3s h ALA 141 CO -0.01 -0.64 0.10 0.00 0.00 0.00 0.00 179.25 178.70 2q3s h ALA 142 N 1.14 0.27 0.19 0.00 0.00 -0.75 -2.91 119.26 117.20 2q3s h ALA 142 Ca 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2q3s h ALA 142 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2q3s h ALA 142 CO -0.73 -0.30 -0.09 0.93 0.00 0.00 0.00 179.25 179.05 2q3s h GLU 143 N 0.23 -0.25 0.00 0.00 5.08 -0.32 -0.60 114.58 118.72 2q3s h GLU 143 Ca 0.10 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2q3s h GLU 143 Cb 0.04 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2q3s h GLU 143 CO -0.08 0.07 0.16 0.00 -1.00 0.00 0.00 179.01 178.16 2q3s n ALA 144 N -2.39 0.67 -2.08 3.43 0.00 0.35 -3.21 120.51 117.29 2q3s n ALA 144 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 2q3s n ALA 144 Cb 0.23 -0.63 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 2q3s n ALA 144 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2q3s n ARG 145 N -1.25 0.00 -1.94 0.00 1.85 -0.84 -5.04 116.66 109.43 2q3s n ARG 145 Ca 0.00 -0.82 -0.20 0.00 -1.00 0.00 0.00 57.85 55.83 2q3s n ARG 145 Cb 0.16 -0.08 -0.05 0.00 -1.05 0.00 0.00 32.46 31.43 2q3s n ARG 145 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2q3s n GLY 146 N 0.08 0.83 2.91 2.89 0.00 -0.29 -4.95 105.19 106.66 2q3s n GLY 146 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.80 2.25 0.21 2.61 2.01 -1.13 -4.99 115.64 113.81 2q3s s THR 147 Ca 0.00 -2.95 -0.14 0.00 0.31 0.00 0.00 61.69 58.91 2q3s s THR 147 Cb 0.00 -2.59 0.25 0.00 0.01 0.00 0.00 72.50 70.17 2q3s s THR 147 CO 0.00 -0.78 1.61 -0.07 -0.69 0.00 0.00 174.62 174.69 2q3s h LEU 148 N 6.78 -0.70 -2.76 4.42 3.38 -1.92 -2.80 115.31 121.70 2q3s h LEU 148 Ca -0.06 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2q3s h LEU 148 Cb 0.92 0.44 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2q3s h LEU 148 CO 0.62 -0.24 0.08 1.62 0.09 0.00 0.00 178.44 180.60 2q3s h VAL 149 N -0.02 0.00 0.00 1.22 3.04 -1.96 -2.98 116.25 115.55 2q3s h VAL 149 Ca 0.31 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.98 2q3s h VAL 149 Cb 0.51 0.92 -0.00 0.00 -2.01 0.00 0.00 31.29 30.70 2q3s h VAL 149 CO -0.70 0.00 -0.11 -0.07 -1.01 0.00 0.00 177.57 175.68 2q3s h LEU 150 N 0.00 0.00 -1.61 3.16 3.38 -1.81 -2.49 115.31 115.95 2q3s h LEU 150 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2q3s h LEU 150 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2q3s h LEU 150 CO 0.00 0.11 -0.21 -0.08 0.09 0.00 0.00 178.44 178.35 2q3s h GLU 151 N 0.00 0.00 -0.58 1.13 4.81 -1.48 -3.20 114.58 115.26 2q3s h GLU 151 Ca -0.00 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.83 2q3s h GLU 151 Cb 0.26 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 29.38 2q3s h GLU 151 CO 0.01 0.21 -0.30 1.19 -0.73 0.00 0.00 179.01 179.39 2q3s n PHE 152 N -3.80 2.00 -4.32 0.92 3.72 -0.94 -4.57 117.46 110.47 2q3s n PHE 152 Ca -0.02 -2.08 -0.27 0.00 -0.05 0.00 0.00 57.45 55.03 2q3s n PHE 152 Cb 0.31 -0.55 -0.10 0.00 -0.94 0.00 0.00 39.48 38.20 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 -3.49 2.79 0.91 4.37 1.43 -1.21 -5.10 118.68 118.38 2q3s s LEU 153 Ca 0.50 -0.64 -0.13 0.00 -1.03 0.00 0.00 54.13 52.83 2q3s s LEU 153 Cb 0.42 -1.52 0.18 0.00 0.03 0.00 0.00 46.19 45.30 2q3s s LEU 153 CO 0.01 0.12 1.26 -0.83 0.23 0.00 0.00 176.35 177.14 2q3s s GLY 154 N -2.64 1.77 0.14 -3.19 0.00 -1.26 -4.69 107.32 97.45 2q3s s GLY 154 Ca 0.22 -1.27 -0.27 0.00 0.00 0.00 0.00 44.72 43.41 2q3s s GLY 154 CO 0.13 -0.55 1.59 -0.84 0.00 0.00 0.00 173.10 173.43 2q3s h THR 155 N -1.42 0.20 -0.12 0.90 2.02 -2.00 0.63 112.91 113.13 2q3s h THR 155 Ca -0.43 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 2q3s h THR 155 Cb 1.24 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2q3s h THR 155 CO 0.39 0.00 0.04 -0.09 0.37 0.00 0.00 175.52 176.24 2q3s h ARG 156 N -0.39 0.18 -0.21 6.66 1.12 -1.97 -2.05 114.38 117.70 2q3s h ARG 156 Ca 0.11 -0.03 -0.06 0.00 -1.11 0.00 0.00 59.98 58.89 2q3s h ARG 156 Cb 0.58 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.50 2q3s h ARG 156 CO -0.43 0.30 -0.11 1.49 -3.11 0.00 0.00 179.97 178.10 2q3s h GLU 157 N 0.02 0.34 -0.25 0.20 4.57 -1.84 -1.88 114.58 115.75 2q3s h GLU 157 Ca 0.04 -0.08 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 2q3s h GLU 157 Cb 0.19 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2q3s h GLU 157 CO -0.00 0.47 -0.08 1.25 -1.18 0.00 0.00 179.01 179.46 2q3s h LEU 158 N 0.33 0.50 0.12 1.64 5.85 -0.70 -2.02 115.31 121.03 2q3s h LEU 158 Ca 0.07 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.41 2q3s h LEU 158 Cb 0.40 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2q3s h LEU 158 CO 0.02 0.77 -0.18 0.00 -0.34 0.00 0.00 178.44 178.71 2q3s h ALA 159 N 0.75 -0.32 -0.87 1.25 0.00 -0.93 0.11 119.26 119.24 2q3s h ALA 159 Ca 0.06 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2q3s h ALA 159 Cb 0.56 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 2q3s h ALA 159 CO 0.03 -0.71 0.56 1.25 0.00 0.00 0.00 179.25 180.37 2q3s h HIS 160 N -0.36 1.04 0.00 0.00 -0.00 -1.39 0.73 115.15 115.16 2q3s h HIS 160 Ca 0.02 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.38 2q3s h HIS 160 Cb 0.37 -0.34 -0.00 0.00 -0.00 0.00 0.00 27.41 27.44 2q3s h HIS 160 CO -0.17 0.58 -0.16 0.00 -0.00 0.00 0.00 177.93 178.18 2q3s h ARG 161 N 1.06 0.00 0.02 5.26 2.47 -0.87 0.24 114.38 122.56 2q3s h ARG 161 Ca 0.36 0.00 -0.39 0.00 -1.26 0.00 0.00 59.98 58.69 2q3s h ARG 161 Cb 0.05 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.32 2q3s h ARG 161 CO -0.13 0.16 -2.23 0.28 0.56 0.00 0.00 179.97 178.61 2q3s n VAL 162 N -3.20 1.56 0.98 2.04 0.31 0.34 -4.67 118.33 115.70 2q3s n VAL 162 Ca 0.02 -0.42 0.11 0.00 -0.01 0.00 0.00 64.34 64.03 2q3s n VAL 162 Cb 0.50 -1.75 -0.04 0.00 -0.91 0.00 0.00 33.84 31.64 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 -3.86 1.70 -4.27 7.52 4.77 0.25 -5.01 117.00 118.10 2q3s n LEU 163 Ca -0.45 -0.68 -0.31 0.00 -0.03 0.00 0.00 56.01 54.54 2q3s n LEU 163 Cb 0.91 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.91 2q3s n LEU 163 CO 0.19 0.34 -0.42 0.79 -1.33 0.00 0.00 177.39 176.96 2q3s n TRP 164 N -0.47 -1.32 -4.47 -1.77 7.02 0.83 -4.94 117.44 112.32 2q3s n TRP 164 Ca 0.07 0.64 -0.25 0.00 -1.02 0.00 0.00 57.50 56.94 2q3s n TRP 164 Cb 0.42 -2.90 -0.10 0.00 -2.42 0.00 0.00 31.31 26.31 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 -4.31 3.82 0.47 -0.99 1.04 -1.26 -5.08 113.70 107.40 2q3s s SER 165 Ca 0.06 -1.08 -0.23 0.00 0.48 0.00 0.00 55.95 55.18 2q3s s SER 165 Cb -0.03 -0.40 -0.07 0.00 0.10 0.00 0.00 66.02 65.62 2q3s s SER 165 CO 0.98 -0.12 1.24 -0.62 0.98 0.00 0.00 173.24 175.70 2q3s s ASP 166 N -3.60 5.95 -0.29 7.02 -1.08 -1.26 -4.80 116.67 118.61 2q3s s ASP 166 Ca 0.32 2.50 0.20 0.00 -0.52 0.00 0.00 52.55 55.05 2q3s s ASP 166 Cb -0.01 -2.62 0.49 0.00 -1.46 0.00 0.00 42.92 39.32 2q3s s ASP 166 CO 0.17 -1.08 1.08 0.18 0.52 0.00 0.00 175.17 176.04 2q3s n LEU 167 N -0.51 1.29 -0.04 -1.34 4.77 -1.26 -4.93 117.00 114.99 2q3s n LEU 167 Ca 0.07 -3.27 -0.14 0.00 -0.03 0.00 0.00 56.01 52.64 2q3s n LEU 167 Cb 0.46 0.43 -0.09 0.00 -2.33 0.00 0.00 43.42 41.89 2q3s n LEU 167 CO 0.51 1.26 0.52 1.23 -1.33 0.00 0.00 177.39 179.58 2q3s h GLY 168 N 2.65 0.26 0.54 -0.72 0.00 -2.00 -2.90 103.07 100.91 2q3s h GLY 168 Ca -0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2q3s h GLY 168 CO 0.26 0.29 -0.46 -1.61 0.00 0.00 0.00 176.54 175.02 2q3s h GLN 169 N -0.26 -0.90 -0.36 4.80 5.75 -2.01 -2.60 115.11 119.54 2q3s h GLN 169 Ca -0.00 0.06 0.08 0.00 -0.15 0.00 0.00 58.65 58.64 2q3s h GLN 169 Cb 0.78 0.20 -0.08 0.00 1.07 0.00 0.00 27.48 29.46 2q3s h GLN 169 CO 0.04 -0.60 -0.17 1.25 -2.65 0.00 0.00 178.83 176.70 2q3s h LEU 170 N -0.93 -0.57 -0.45 -2.39 5.85 -1.97 -2.64 115.31 112.21 2q3s h LEU 170 Ca -0.05 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.83 2q3s h LEU 170 Cb 0.82 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 2q3s h LEU 170 CO -0.07 -0.20 0.25 0.44 -0.34 0.00 0.00 178.44 178.52 2q3s h ASP 171 N -0.10 0.39 -0.67 1.25 5.19 -1.48 0.98 116.42 121.97 2q3s h ASP 171 Ca 0.18 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.59 2q3s h ASP 171 Cb 0.38 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.79 2q3s h ASP 171 CO -0.43 0.28 0.39 0.28 -3.12 0.00 0.00 179.24 176.64 2q3s h SER 172 N 0.50 0.83 -0.28 6.45 0.02 -1.25 1.02 113.55 120.84 2q3s h SER 172 Ca 0.18 -0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 2q3s h SER 172 Cb 0.05 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 2q3s h SER 172 CO -0.10 0.66 -0.38 0.40 -1.14 0.00 0.00 176.83 176.27 2q3s h ILE 173 N 0.95 1.30 -0.07 3.27 2.04 -1.10 -3.29 117.51 120.62 2q3s h ILE 173 Ca 0.25 -1.57 -0.10 0.00 1.00 0.00 0.00 64.86 64.43 2q3s h ILE 173 Cb 0.00 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 2q3s h ILE 173 CO -0.04 0.50 -0.36 -0.33 0.00 0.00 0.00 178.15 177.92 2q3s h GLU 174 N 0.51 0.36 -0.98 2.37 5.08 0.14 -1.73 114.58 120.33 2q3s h GLU 174 Ca 0.03 -0.30 0.27 0.00 -1.00 0.00 0.00 59.36 58.36 2q3s h GLU 174 Cb 0.97 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.23 2q3s h GLU 174 CO 0.09 0.94 0.68 0.00 -1.00 0.00 0.00 179.01 179.72 2q3s h ALA 175 N 0.42 2.66 -0.68 3.43 0.00 0.93 0.26 119.26 126.27 2q3s h ALA 175 Ca -0.03 -0.01 -0.49 0.00 0.00 0.00 0.00 54.91 54.39 2q3s h ALA 175 Cb 1.02 0.05 -0.41 0.00 0.00 0.00 0.00 17.79 18.44 2q3s h ALA 175 CO 0.07 -0.97 -0.86 0.36 0.00 0.00 0.00 179.25 177.86 2q3s n LYS 176 N -4.37 3.26 -0.33 0.00 -0.00 -1.21 -4.90 118.16 110.62 2q3s n LYS 176 Ca 0.21 -4.04 -0.05 0.00 -0.00 0.00 0.00 58.31 54.44 2q3s n LYS 176 Cb 0.95 -2.15 -0.03 0.00 -0.00 0.00 0.00 35.03 33.80 2q3s n LYS 176 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.40 179.27 2q3s n TRP 177 N -0.70 -0.18 0.21 5.58 -0.00 0.08 0.95 117.44 123.39 2q3s n TRP 177 Ca 0.38 1.01 0.14 0.00 -0.00 0.00 0.00 57.50 59.03 2q3s n TRP 177 Cb 0.94 -0.68 0.78 0.00 -0.00 0.00 0.00 31.31 32.35 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 -0.60 5.87 9.09 -1.85 0.13 114.58 127.22 2q3s h GLU 178 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.61 2q3s h GLU 178 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 2q3s h GLU 178 CO -0.79 0.00 0.00 1.63 0.05 0.00 0.00 179.01 179.90 2q3s n LYS 179 N -4.11 4.65 -3.44 1.06 5.02 0.27 -4.94 118.16 116.67 2q3s n LYS 179 Ca 0.00 -3.10 -0.38 0.00 -2.02 0.00 0.00 58.31 52.82 2q3s n LYS 179 Cb 0.24 -2.19 -0.06 0.00 -0.02 0.00 0.00 35.03 33.00 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 -2.55 3.60 0.67 7.82 0.00 0.47 -5.07 121.76 126.69 2q3s s ALA 180 Ca 0.54 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 52.09 2q3s s ALA 180 Cb 0.40 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 21.04 2q3s s ALA 180 CO 0.18 0.24 1.20 0.20 0.00 0.00 0.00 175.76 177.58 2q3s s GLY 181 N -0.19 2.50 0.18 0.00 0.00 -1.26 -4.68 107.32 103.87 2q3s s GLY 181 Ca 0.23 0.91 -0.24 0.00 0.00 0.00 0.00 44.72 45.62 2q3s s GLY 181 CO 0.11 1.31 1.57 -2.55 0.00 0.00 0.00 173.10 173.53 2q3s h PRO 182 N 0.23 -0.17 -0.25 2.90 0.11 -1.98 1.08 132.00 133.91 2q3s h PRO 182 Ca -0.49 0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.71 2q3s h PRO 182 Cb 1.29 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 2q3s h PRO 182 CO 0.52 -0.11 0.24 1.49 -0.21 0.00 0.00 178.00 179.93 2q3s h GLU 183 N -0.18 0.00 -0.02 1.05 4.81 -1.96 0.28 114.58 118.56 2q3s h GLU 183 Ca 0.21 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.27 2q3s h GLU 183 Cb 0.56 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.95 2q3s h GLU 183 CO -0.74 0.00 -0.64 0.93 -0.73 0.00 0.00 179.01 177.83 2q3s h GLU 184 N 0.00 0.46 -0.16 1.92 5.08 0.78 0.55 114.58 123.21 2q3s h GLU 184 Ca 0.12 -0.48 -0.06 0.00 -1.00 0.00 0.00 59.36 57.94 2q3s h GLU 184 Cb 0.60 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 2q3s h GLU 184 CO -0.00 1.12 -0.15 1.96 -1.00 0.00 0.00 179.01 180.94 2q3s h GLN 185 N -0.01 0.39 0.00 2.33 4.20 0.54 0.16 115.11 122.72 2q3s h GLN 185 Ca -0.08 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.40 2q3s h GLN 185 Cb 1.34 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 2q3s h GLN 185 CO 0.13 0.75 -0.18 1.25 -0.67 0.00 0.00 178.83 180.11 2q3s h LEU 186 N 0.04 0.00 -0.06 1.46 5.85 -0.63 -0.54 115.31 121.43 2q3s h LEU 186 Ca 0.03 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.62 2q3s h LEU 186 Cb 0.68 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.71 2q3s h LEU 186 CO 0.04 0.18 -0.47 -0.08 -0.34 0.00 0.00 178.44 177.76 2q3s h GLU 187 N 0.00 0.43 -0.83 1.25 4.81 -0.63 -2.93 114.58 116.67 2q3s h GLU 187 Ca -0.00 -0.38 0.01 0.00 -0.13 0.00 0.00 59.36 58.86 2q3s h GLU 187 Cb 0.57 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.00 2q3s h GLU 187 CO 0.02 1.02 0.55 0.00 -0.73 0.00 0.00 179.01 179.88 2q3s h ALA 188 N 0.41 1.42 -0.33 2.92 0.00 0.04 -0.91 119.26 122.81 2q3s h ALA 188 Ca -0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2q3s h ALA 188 Cb 1.14 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2q3s h ALA 188 CO 0.10 0.53 0.11 0.00 0.00 0.00 0.00 179.25 179.99 2q3s h ALA 189 N 1.49 0.43 -0.41 0.00 0.00 -1.15 0.34 119.26 119.95 2q3s h ALA 189 Ca 0.31 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2q3s h ALA 189 Cb -0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2q3s h ALA 189 CO -0.07 0.05 0.09 0.00 0.00 0.00 0.00 179.25 179.32 2q3s h ALA 190 N 0.95 0.54 -0.48 0.00 0.00 -1.30 -1.39 119.26 117.59 2q3s h ALA 190 Ca 0.11 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2q3s h ALA 190 Cb 0.22 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2q3s h ALA 190 CO -0.01 0.23 0.22 0.82 0.00 0.00 0.00 179.25 180.52 2q3s h ILE 191 N 0.52 0.92 -0.32 0.00 2.04 -1.03 -2.62 117.51 117.02 2q3s h ILE 191 Ca 0.13 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.89 2q3s h ILE 191 Cb 0.33 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 2q3s h ILE 191 CO 0.00 0.08 0.03 -0.33 0.00 0.00 0.00 178.15 177.94 2q3s h GLU 192 N 0.44 0.13 -0.28 2.37 5.08 -0.20 -2.53 114.58 119.58 2q3s h GLU 192 Ca 0.22 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.64 2q3s h GLU 192 Cb 0.16 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 2q3s h GLU 192 CO -0.17 0.09 -0.20 0.78 -1.00 0.00 0.00 179.01 178.50 2q3s h GLY 193 N 0.13 -0.03 0.16 -3.84 0.00 -0.92 -2.61 103.07 95.95 2q3s h GLY 193 Ca 0.15 0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.78 2q3s h GLY 193 CO -0.23 -0.19 -0.32 -0.25 0.00 0.00 0.00 176.54 175.55 2q3s h TRP 194 N -0.18 -0.90 -0.56 5.60 7.01 -1.24 0.29 115.95 125.97 2q3s h TRP 194 Ca 0.15 0.04 0.11 0.00 2.11 0.00 0.00 58.89 61.30 2q3s h TRP 194 Cb 0.41 0.41 -0.09 0.00 -2.10 0.00 0.00 29.16 27.79 2q3s h TRP 194 CO -0.38 -0.40 0.04 -0.07 -2.79 0.00 0.00 178.44 174.84 2q3s h LEU 195 N -0.40 -0.17 -0.59 0.65 3.38 -1.24 0.28 115.31 117.23 2q3s h LEU 195 Ca 0.09 0.13 -0.15 0.00 0.09 0.00 0.00 57.88 58.04 2q3s h LEU 195 Cb 0.55 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2q3s h LEU 195 CO -0.35 -0.06 -0.65 0.40 0.09 0.00 0.00 178.44 177.87 2q3s h ILE 196 N 0.16 1.41 -0.55 1.22 1.08 -1.07 0.30 117.51 120.06 2q3s h ILE 196 Ca 0.29 -2.10 0.05 0.00 -0.39 0.00 0.00 64.86 62.71 2q3s h ILE 196 Cb 0.45 2.09 -0.05 0.00 -3.07 0.00 0.00 36.82 36.24 2q3s h ILE 196 CO -0.45 0.62 0.29 0.58 -0.69 0.00 0.00 178.15 178.51 2q3s h VAL 197 N 0.16 0.97 -0.24 1.67 2.07 1.00 0.65 116.25 122.54 2q3s h VAL 197 Ca -0.01 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 2q3s h VAL 197 Cb 1.18 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2q3s h VAL 197 CO 0.10 0.10 -0.27 0.78 0.02 0.00 0.00 177.57 178.30 2q3s h ASN 198 N 0.57 0.46 -0.27 0.57 2.35 0.10 0.15 115.58 119.52 2q3s h ASN 198 Ca 0.24 -0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 2q3s h ASN 198 Cb 0.13 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2q3s h ASN 198 CO -0.15 0.73 -0.06 0.58 -1.65 0.00 0.00 177.43 176.87 2q3s h VAL 199 N 0.40 1.28 -0.06 2.81 2.07 0.42 -1.34 116.25 121.83 2q3s h VAL 199 Ca 0.06 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 2q3s h VAL 199 Cb 0.69 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2q3s h VAL 199 CO 0.05 0.34 0.01 -0.25 0.02 0.00 0.00 177.57 177.74 2q3s h TRP 200 N 0.27 0.10 -0.90 1.57 2.91 0.57 0.70 115.95 121.17 2q3s h TRP 200 Ca 0.07 -0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.18 2q3s h TRP 200 Cb 0.53 -0.03 -0.08 0.00 -0.51 0.00 0.00 29.16 29.07 2q3s h TRP 200 CO 0.05 0.30 0.54 -0.44 -1.03 0.00 0.00 178.44 177.86 2q3s h ASP 201 N -0.12 0.79 -0.39 2.65 3.45 -0.71 -1.33 116.42 120.75 2q3s h ASP 201 Ca 0.02 0.04 -0.03 0.00 0.43 0.00 0.00 57.03 57.49 2q3s h ASP 201 Cb 0.25 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.89 2q3s h ASP 201 CO 0.00 0.44 0.13 -0.61 -1.57 0.00 0.00 179.24 177.64 2q3s h GLN 202 N 0.89 0.61 0.00 3.56 4.15 -0.98 -3.34 115.11 120.00 2q3s h GLN 202 Ca 0.43 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.73 2q3s h GLN 202 Cb 0.38 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.98 2q3s h GLN 202 CO -0.25 0.60 0.00 1.28 -1.93 0.00 0.00 178.83 178.54 2q3s n LEU 203 N -4.62 0.00 -4.04 -2.39 4.77 0.22 -4.26 117.00 106.68 2q3s n LEU 203 Ca -0.00 0.31 -0.27 0.00 -0.03 0.00 0.00 56.01 56.02 2q3s n LEU 203 Cb 0.17 0.00 -0.18 0.00 -2.33 0.00 0.00 43.42 41.08 2q3s n LEU 203 CO 0.38 0.00 1.93 -1.20 -1.33 0.00 0.00 177.39 177.16 2q3s n SER 204 N -0.38 -0.68 0.00 -1.43 7.64 -1.00 -4.43 113.62 113.33 2q3s n SER 204 Ca 0.00 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.65 2q3s n SER 204 Cb 0.00 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 2q3s n SER 204 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2q3s n ASP 205 N 6.78 0.00 0.00 6.43 8.00 -1.26 -4.91 116.55 131.59 2q3s n ASP 205 Ca 0.60 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.10 2q3s n ASP 205 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 2q3s n ASP 205 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19