#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b4c n LEU 3 N 0.00 0.00 -4.13 2.61 -0.00 -1.26 -4.98 117.00 109.24 2b4c n LEU 3 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.64 2b4c n LEU 3 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 2b4c n LEU 3 CO 0.00 0.00 -0.06 -0.22 -0.00 0.00 0.00 177.39 177.11 2b4c s LEU 4 N -1.60 5.34 0.12 1.47 2.96 -1.26 -1.02 118.68 124.69 2b4c s LEU 4 Ca 0.00 -2.36 0.08 0.00 -0.22 0.00 0.00 54.13 51.63 2b4c s LEU 4 Cb 0.00 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 2b4c s LEU 4 CO 0.00 -0.49 -0.14 -1.83 -1.32 0.00 0.00 176.35 172.57 2b4c s GLU 5 N 0.67 1.96 0.37 1.98 -1.05 -0.93 -3.95 118.70 117.75 2b4c s GLU 5 Ca 0.12 -1.12 0.05 0.00 -0.15 0.00 0.00 54.97 53.86 2b4c s GLU 5 Cb -0.22 -2.20 0.05 0.00 -0.44 0.00 0.00 34.13 31.31 2b4c s GLU 5 CO -0.04 0.49 0.39 1.04 0.95 0.00 0.00 175.26 178.09 2b4c n GLN 6 N 0.67 0.86 0.00 -4.83 6.02 -1.26 -0.16 117.38 118.68 2b4c n GLN 6 Ca -0.14 -2.15 0.00 0.00 -0.01 0.00 0.00 57.00 54.70 2b4c n GLN 6 Cb 0.53 0.06 0.00 0.00 1.02 0.00 0.00 30.24 31.84 2b4c n GLN 6 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2b4c n SER 7 N -2.20 0.00 -4.82 1.08 3.41 -1.21 -4.88 113.62 104.99 2b4c n SER 7 Ca 0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.37 2b4c n SER 7 Cb 0.40 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 2b4c n SER 7 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2b4c s GLY 8 N -0.61 1.87 0.65 5.00 0.00 -1.26 -4.88 107.32 108.09 2b4c s GLY 8 Ca 0.00 -1.08 -0.16 0.00 0.00 0.00 0.00 44.72 43.48 2b4c s GLY 8 CO 0.00 -1.08 1.14 0.00 0.00 0.00 0.00 173.10 173.17 2b4c s ALA 9 N -1.60 2.44 0.34 3.20 0.00 -1.26 -4.92 121.76 119.97 2b4c s ALA 9 Ca 0.31 0.72 -0.17 0.00 0.00 0.00 0.00 51.96 52.82 2b4c s ALA 9 Cb -0.11 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.67 2b4c s ALA 9 CO 0.24 -1.30 0.74 -1.83 0.00 0.00 0.00 175.76 173.61 2b4c s GLU 10 N -3.82 2.04 0.03 0.00 -1.05 -1.21 -2.89 118.70 111.79 2b4c s GLU 10 Ca 0.71 -1.28 0.08 0.00 -0.15 0.00 0.00 54.97 54.32 2b4c s GLU 10 Cb -0.24 0.61 -0.03 0.00 -0.44 0.00 0.00 34.13 34.03 2b4c s GLU 10 CO 0.39 -0.94 -0.24 0.54 0.95 0.00 0.00 175.26 175.96 2b4c s VAL 11 N -2.99 2.35 -0.04 1.83 0.11 -1.26 -2.15 120.40 118.25 2b4c s VAL 11 Ca 0.15 -1.25 0.00 0.00 -2.93 0.00 0.00 61.98 57.95 2b4c s VAL 11 Cb -0.05 -1.92 0.03 0.00 -1.53 0.00 0.00 36.38 32.91 2b4c s VAL 11 CO 0.10 0.41 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.73 2b4c s LYS 12 N -1.16 0.46 0.31 1.54 -0.14 -0.50 -4.97 119.74 115.29 2b4c s LYS 12 Ca 0.12 0.03 -0.29 0.00 -1.36 0.00 0.00 55.97 54.48 2b4c s LYS 12 Cb -0.10 -0.62 -0.10 0.00 -1.68 0.00 0.00 37.83 35.33 2b4c s LYS 12 CO 0.02 -0.14 1.25 -1.59 -0.76 0.00 0.00 175.35 174.13 2b4c s LYS 13 N 1.08 4.44 0.06 1.68 -2.85 -1.22 -2.48 119.74 120.46 2b4c s LYS 13 Ca -0.09 2.09 -0.37 0.00 -1.00 0.00 0.00 55.97 56.60 2b4c s LYS 13 Cb -0.14 -3.11 -0.18 0.00 -2.06 0.00 0.00 37.83 32.34 2b4c s LYS 13 CO -0.01 -0.08 1.09 -2.30 0.10 0.00 0.00 175.35 174.15 2b4c n PRO 14 N 1.01 0.43 0.00 1.78 -0.02 -1.26 -2.13 135.00 134.81 2b4c n PRO 14 Ca 0.00 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2b4c n PRO 14 Cb 0.43 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2b4c n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b4c n GLY 15 N 1.87 2.67 3.86 -1.23 0.00 -0.75 -4.91 105.19 106.70 2b4c n GLY 15 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2b4c n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2b4c s SER 16 N 0.41 3.85 0.05 1.61 1.04 -0.91 -3.75 113.70 116.00 2b4c s SER 16 Ca 0.00 0.77 0.04 0.00 0.48 0.00 0.00 55.95 57.24 2b4c s SER 16 Cb 0.00 -1.22 -0.04 0.00 0.10 0.00 0.00 66.02 64.87 2b4c s SER 16 CO 0.00 -2.32 -0.05 -0.94 0.98 0.00 0.00 173.24 170.91 2b4c s SER 17 N -4.41 4.74 -0.01 7.02 1.04 -1.26 -2.89 113.70 117.93 2b4c s SER 17 Ca 0.65 -0.19 0.07 0.00 0.48 0.00 0.00 55.95 56.95 2b4c s SER 17 Cb -0.11 -1.09 -0.02 0.00 0.10 0.00 0.00 66.02 64.90 2b4c s SER 17 CO 0.51 0.23 -0.21 0.54 0.98 0.00 0.00 173.24 175.29 2b4c s VAL 18 N -1.14 1.66 -0.15 5.02 0.11 -0.80 -4.96 120.40 120.14 2b4c s VAL 18 Ca 0.21 -0.94 0.02 0.00 -2.93 0.00 0.00 61.98 58.33 2b4c s VAL 18 Cb -0.11 -1.39 0.01 0.00 -1.53 0.00 0.00 36.38 33.37 2b4c s VAL 18 CO 0.12 0.43 -0.20 -1.58 -3.33 0.00 0.00 175.10 170.54 2b4c s GLN 19 N -0.59 2.89 -0.14 1.54 0.74 -1.26 -1.02 119.66 121.81 2b4c s GLN 19 Ca 0.08 -0.80 -0.02 0.00 0.05 0.00 0.00 55.36 54.68 2b4c s GLN 19 Cb -0.08 -2.41 -0.02 0.00 1.10 0.00 0.00 33.01 31.59 2b4c s GLN 19 CO -0.00 -0.11 -0.09 0.08 -0.55 0.00 0.00 175.29 174.62 2b4c s VAL 20 N 1.05 3.42 0.42 1.34 1.01 0.75 -4.94 120.40 123.47 2b4c s VAL 20 Ca -0.02 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.50 2b4c s VAL 20 Cb -0.14 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.78 2b4c s VAL 20 CO -0.07 0.52 0.58 -0.94 0.00 0.00 0.00 175.10 175.19 2b4c s SER 21 N 0.29 5.66 -0.38 3.32 1.04 -1.26 -1.34 113.70 121.04 2b4c s SER 21 Ca -0.07 -0.31 0.05 0.00 0.48 0.00 0.00 55.95 56.10 2b4c s SER 21 Cb -0.15 -0.80 0.17 0.00 0.10 0.00 0.00 66.02 65.33 2b4c s SER 21 CO 0.04 -0.76 0.48 0.00 0.98 0.00 0.00 173.24 173.99 2b4c s LYS 23 N 1.68 3.49 -0.61 0.00 2.36 0.78 -1.48 119.74 125.96 2b4c s LYS 23 Ca 0.16 1.19 -0.19 0.00 -2.55 0.00 0.00 55.97 54.57 2b4c s LYS 23 Cb -0.11 -4.10 0.10 0.00 -1.05 0.00 0.00 37.83 32.67 2b4c s LYS 23 CO -0.07 -1.67 0.74 0.00 1.55 0.00 0.00 175.35 175.90 2b4c s ALA 24 N 6.03 3.38 -0.65 3.13 0.00 -0.43 -2.20 121.76 131.02 2b4c s ALA 24 Ca 0.70 -2.19 0.05 0.00 0.00 0.00 0.00 51.96 50.52 2b4c s ALA 24 Cb -0.18 -3.58 0.20 0.00 0.00 0.00 0.00 23.12 19.56 2b4c s ALA 24 CO 0.33 -2.42 0.56 -1.13 0.00 0.00 0.00 175.76 173.11 2b4c n SER 25 N 6.51 2.86 0.14 0.00 3.41 -0.19 -4.82 113.62 121.54 2b4c n SER 25 Ca -0.08 -3.20 0.00 0.00 -0.26 0.00 0.00 58.87 55.33 2b4c n SER 25 Cb 0.43 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 2b4c n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b4c n GLY 26 N 1.66 -0.37 0.00 5.00 0.00 -1.26 -4.64 105.19 105.58 2b4c n GLY 26 Ca 0.24 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2b4c n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b4c n GLY 27 N 1.37 0.20 3.78 -0.02 0.00 -1.26 -5.14 105.19 104.13 2b4c n GLY 27 Ca 0.00 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2b4c n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b4c s THR 28 N 0.27 4.77 0.00 2.61 2.01 -1.26 -5.01 115.64 119.04 2b4c s THR 28 Ca 0.00 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.65 2b4c s THR 28 Cb 0.00 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.35 2b4c s THR 28 CO 0.00 0.38 0.00 0.33 -0.69 0.00 0.00 174.62 174.64 2b4c n PHE 29 N 1.29 0.00 0.14 4.92 7.35 -1.26 -4.79 117.46 125.11 2b4c n PHE 29 Ca -0.14 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.43 2b4c n PHE 29 Cb 0.53 0.01 -0.07 0.00 0.35 0.00 0.00 39.48 40.30 2b4c n PHE 29 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 2b4c h SER 30 N 0.00 -1.02 0.69 -2.13 0.02 -1.96 -3.24 113.55 105.90 2b4c h SER 30 Ca 0.00 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 2b4c h SER 30 Cb 0.92 0.36 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 2b4c h SER 30 CO 0.00 -0.42 -0.33 0.00 -1.14 0.00 0.00 176.83 174.93 2b4c h MET 31 N -0.61 0.00 -6.57 3.45 -0.00 -1.95 -0.66 114.93 108.58 2b4c h MET 31 Ca -0.02 0.00 -0.52 0.00 -0.00 0.00 0.00 59.70 59.16 2b4c h MET 31 Cb 0.56 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.14 2b4c h MET 31 CO -0.12 0.33 0.35 0.71 -0.00 0.00 0.00 176.91 178.19 2b4c s TYR 32 N -3.80 3.82 0.67 -0.10 2.02 -1.23 -4.79 117.35 113.95 2b4c s TYR 32 Ca -0.01 1.80 -0.13 0.00 -0.37 0.00 0.00 57.07 58.37 2b4c s TYR 32 Cb 0.12 -3.04 -0.00 0.00 -0.40 0.00 0.00 41.96 38.63 2b4c s TYR 32 CO 0.68 0.23 1.06 0.20 -1.57 0.00 0.00 175.55 176.15 2b4c s GLY 33 N -0.09 1.84 -0.33 0.71 0.00 -1.26 -4.48 107.32 103.70 2b4c s GLY 33 Ca 0.46 0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.40 2b4c s GLY 33 CO 0.30 0.54 0.12 -1.36 0.00 0.00 0.00 173.10 172.69 2b4c s PHE 34 N -2.81 1.86 0.45 1.90 0.40 0.05 -0.67 117.98 119.16 2b4c s PHE 34 Ca 0.60 -1.93 -0.00 0.00 -0.60 0.00 0.00 56.93 55.00 2b4c s PHE 34 Cb -0.15 -1.80 -0.01 0.00 0.51 0.00 0.00 43.02 41.57 2b4c s PHE 34 CO 0.49 -0.87 0.68 -0.80 0.70 0.00 0.00 175.22 175.42 2b4c s ASN 35 N 1.35 5.90 -0.12 1.36 0.01 -0.57 -2.42 114.94 120.45 2b4c s ASN 35 Ca 0.11 0.38 -0.01 0.00 -0.71 0.00 0.00 52.86 52.64 2b4c s ASN 35 Cb -0.19 -1.66 0.03 0.00 0.41 0.00 0.00 41.25 39.85 2b4c s ASN 35 CO -0.19 -0.67 -0.07 0.26 -1.51 0.00 0.00 177.10 174.92 2b4c s TRP 36 N -2.57 1.45 -0.28 2.20 0.52 0.31 -1.48 118.94 119.08 2b4c s TRP 36 Ca 0.48 -0.75 0.03 0.00 0.02 0.00 0.00 56.10 55.87 2b4c s TRP 36 Cb -0.10 -1.21 0.07 0.00 -1.15 0.00 0.00 33.47 31.08 2b4c s TRP 36 CO 0.39 -0.52 -0.04 0.14 0.02 0.00 0.00 176.95 176.94 2b4c s VAL 37 N 1.72 1.98 0.64 4.03 -7.23 -0.41 -0.54 120.40 120.59 2b4c s VAL 37 Ca 0.04 -1.73 -0.11 0.00 -1.81 0.00 0.00 61.98 58.38 2b4c s VAL 37 Cb -0.13 -2.25 -0.02 0.00 0.56 0.00 0.00 36.38 34.54 2b4c s VAL 37 CO -0.08 -0.24 1.04 0.00 -0.31 0.00 0.00 175.10 175.51 2b4c s ARG 38 N 1.14 3.31 -0.19 4.82 1.70 -0.34 -2.39 118.95 127.00 2b4c s ARG 38 Ca -0.02 0.60 -0.04 0.00 -0.47 0.00 0.00 55.73 55.80 2b4c s ARG 38 Cb -0.19 -2.08 0.09 0.00 -0.57 0.00 0.00 34.95 32.20 2b4c s ARG 38 CO -0.07 -0.73 0.31 -1.14 -1.08 0.00 0.00 175.30 172.59 2b4c s GLN 39 N -5.22 0.23 0.57 3.89 0.74 -1.00 -0.62 119.66 118.25 2b4c s GLN 39 Ca 0.56 0.61 -0.18 0.00 0.05 0.00 0.00 55.36 56.40 2b4c s GLN 39 Cb -0.11 -0.37 -0.05 0.00 1.10 0.00 0.00 33.01 33.58 2b4c s GLN 39 CO 0.53 -0.46 1.09 0.00 -0.55 0.00 0.00 175.29 175.89 2b4c s ALA 40 N 2.46 2.69 -0.27 1.58 0.00 -1.26 -1.01 121.76 125.95 2b4c s ALA 40 Ca 0.05 0.62 -0.35 0.00 0.00 0.00 0.00 51.96 52.28 2b4c s ALA 40 Cb -0.14 -3.30 -0.12 0.00 0.00 0.00 0.00 23.12 19.57 2b4c s ALA 40 CO -0.12 -0.79 2.06 -2.30 0.00 0.00 0.00 175.76 174.61 2b4c n PRO 41 N -1.64 1.41 0.00 0.00 -0.02 -1.26 -1.16 135.00 132.34 2b4c n PRO 41 Ca 0.10 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2b4c n PRO 41 Cb 0.52 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2b4c n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b4c n GLY 42 N 5.65 3.05 0.00 -1.23 0.00 -1.26 -5.01 105.19 106.40 2b4c n GLY 42 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2b4c n GLY 42 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2b4c n HIS 43 N -1.60 -2.89 -3.00 1.61 8.25 -0.31 -5.11 115.22 112.17 2b4c n HIS 43 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 2b4c n HIS 43 Cb 0.00 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.14 2b4c n HIS 43 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2b4c s GLY 44 N -2.37 1.86 0.27 -1.41 0.00 -1.26 -4.72 107.32 99.69 2b4c s GLY 44 Ca 0.00 -1.83 -0.30 0.00 0.00 0.00 0.00 44.72 42.59 2b4c s GLY 44 CO 0.00 -1.54 1.08 1.08 0.00 0.00 0.00 173.10 173.72 2b4c s LEU 45 N -4.49 4.56 -0.10 0.66 1.43 -1.26 -4.16 118.68 115.32 2b4c s LEU 45 Ca 0.58 2.22 -0.01 0.00 -1.03 0.00 0.00 54.13 55.89 2b4c s LEU 45 Cb -0.08 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.54 2b4c s LEU 45 CO 0.36 -0.11 -0.02 -0.70 0.23 0.00 0.00 176.35 176.11 2b4c s GLU 46 N -1.35 0.95 0.12 1.70 2.12 0.21 -5.01 118.70 117.45 2b4c s GLU 46 Ca 0.44 -0.10 -0.30 0.00 0.36 0.00 0.00 54.97 55.37 2b4c s GLU 46 Cb -0.31 -1.34 -0.07 0.00 0.26 0.00 0.00 34.13 32.67 2b4c s GLU 46 CO 0.40 -0.33 1.14 -0.46 -0.54 0.00 0.00 175.26 175.46 2b4c s TRP 47 N 1.86 3.52 -0.23 5.30 -0.00 -1.26 -1.20 118.94 126.92 2b4c s TRP 47 Ca 0.04 1.47 -0.08 0.00 -0.00 0.00 0.00 56.10 57.53 2b4c s TRP 47 Cb -0.13 -3.34 -0.11 0.00 -0.00 0.00 0.00 33.47 29.89 2b4c s TRP 47 CO -0.07 -0.90 -0.27 -1.33 -0.00 0.00 0.00 176.95 174.38 2b4c n MET 48 N 3.08 0.50 0.00 5.86 2.81 0.30 -4.73 117.12 124.94 2b4c n MET 48 Ca 0.05 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.14 2b4c n MET 48 Cb 0.46 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 2b4c n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2b4c n GLY 49 N 1.77 1.65 0.00 3.03 0.00 -1.21 -0.47 105.19 109.96 2b4c n GLY 49 Ca -0.44 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2b4c n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b4c n GLY 50 N -1.06 5.00 3.61 -0.02 0.00 -0.47 -0.53 105.19 111.71 2b4c n GLY 50 Ca 0.00 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 2b4c n GLY 50 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2b4c s ILE 51 N -0.89 0.00 -0.44 -0.61 2.07 -1.01 -3.62 121.20 116.70 2b4c s ILE 51 Ca 0.00 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.15 2b4c s ILE 51 Cb 0.00 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.69 2b4c s ILE 51 CO 0.00 0.00 0.29 -0.63 -1.91 0.00 0.00 174.94 172.69 2b4c s ILE 52 N -0.43 4.14 0.23 2.00 -1.09 0.57 -0.77 121.20 125.86 2b4c s ILE 52 Ca 0.01 -1.59 -0.08 0.00 -2.23 0.00 0.00 60.65 56.75 2b4c s ILE 52 Cb -0.03 -3.63 0.23 0.00 -1.58 0.00 0.00 42.46 37.46 2b4c s ILE 52 CO -0.03 -0.62 1.66 -0.65 -1.23 0.00 0.00 174.94 174.08 2b4c h PRO 52 N 8.39 0.15 0.00 2.79 0.11 -1.78 0.74 132.00 142.41 2b4c h PRO 52 Ca -0.21 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 2b4c h PRO 52 Cb 1.08 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2b4c h PRO 52 CO 0.79 0.10 -0.04 0.97 -0.21 0.00 0.00 178.00 179.61 2b4c h ILE 53 N 0.16 0.15 0.00 4.15 2.10 -1.43 -3.23 117.51 119.40 2b4c h ILE 53 Ca 0.37 -0.46 -0.04 0.00 1.08 0.00 0.00 64.86 65.81 2b4c h ILE 53 Cb 0.63 1.40 -0.01 0.00 -1.09 0.00 0.00 36.82 37.75 2b4c h ILE 53 CO -0.56 0.04 -1.34 0.49 -1.08 0.00 0.00 178.15 175.70 2b4c n PHE 54 N -3.21 0.00 -0.78 2.19 3.72 -0.68 -5.00 117.46 113.69 2b4c n PHE 54 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2b4c n PHE 54 Cb 0.25 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 2b4c n PHE 54 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b4c n GLY 55 N 2.30 0.77 3.81 1.37 0.00 0.25 -5.03 105.19 108.66 2b4c n GLY 55 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2b4c n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2b4c s THR 56 N -2.91 4.30 -0.13 2.61 -4.23 -1.22 -4.84 115.64 109.23 2b4c s THR 56 Ca 0.00 1.58 -0.08 0.00 -1.18 0.00 0.00 61.69 62.01 2b4c s THR 56 Cb 0.00 -3.73 0.04 0.00 1.34 0.00 0.00 72.50 70.15 2b4c s THR 56 CO 0.00 -0.16 0.32 -0.94 -0.54 0.00 0.00 174.62 173.30 2b4c s SER 57 N -1.97 -0.36 -0.08 3.99 1.04 -1.11 -0.31 113.70 114.90 2b4c s SER 57 Ca 0.58 0.67 0.04 0.00 0.48 0.00 0.00 55.95 57.72 2b4c s SER 57 Cb -0.13 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2b4c s SER 57 CO 0.17 -0.16 -0.19 0.21 0.98 0.00 0.00 173.24 174.25 2b4c s ASN 58 N 0.95 2.54 0.36 7.02 3.84 -1.24 -4.84 114.94 123.57 2b4c s ASN 58 Ca -0.06 -0.44 0.03 0.00 0.21 0.00 0.00 52.86 52.60 2b4c s ASN 58 Cb -0.07 -1.05 -0.04 0.00 -0.55 0.00 0.00 41.25 39.54 2b4c s ASN 58 CO -0.07 0.13 0.11 -0.72 -2.79 0.00 0.00 177.10 173.76 2b4c s TYR 59 N 0.34 1.80 0.21 0.43 -0.85 -1.26 -1.37 117.35 116.64 2b4c s TYR 59 Ca -0.14 -1.18 -0.18 0.00 -0.52 0.00 0.00 57.07 55.05 2b4c s TYR 59 Cb -0.16 -1.14 -0.08 0.00 0.38 0.00 0.00 41.96 40.96 2b4c s TYR 59 CO 0.06 -0.22 0.68 0.00 -1.52 0.00 0.00 175.55 174.55 2b4c s ALA 60 N -3.33 3.45 0.46 9.51 0.00 0.38 -4.94 121.76 127.28 2b4c s ALA 60 Ca 0.30 0.10 0.13 0.00 0.00 0.00 0.00 51.96 52.49 2b4c s ALA 60 Cb 0.05 -2.75 1.07 0.00 0.00 0.00 0.00 23.12 21.50 2b4c s ALA 60 CO 0.15 0.36 2.06 0.37 0.00 0.00 0.00 175.76 178.70 2b4c h GLN 61 N 3.44 0.29 0.00 0.00 4.15 -1.95 -2.47 115.11 118.57 2b4c h GLN 61 Ca -0.48 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 58.92 2b4c h GLN 61 Cb 1.19 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.82 2b4c h GLN 61 CO 0.65 0.19 -0.01 0.87 -1.93 0.00 0.00 178.83 178.61 2b4c h LYS 62 N 0.30 0.00 -1.75 1.69 1.79 -1.96 -3.01 116.57 113.64 2b4c h LYS 62 Ca 0.15 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.98 2b4c h LYS 62 Cb 0.21 0.00 -0.38 0.00 -1.58 0.00 0.00 32.23 30.48 2b4c h LYS 62 CO -0.03 0.01 -0.26 1.19 -1.08 0.00 0.00 179.45 179.28 2b4c n PHE 63 N -3.16 3.38 -2.26 -1.35 3.72 -0.93 -5.05 117.46 111.82 2b4c n PHE 63 Ca -0.02 -3.03 -0.42 0.00 -0.05 0.00 0.00 57.45 53.92 2b4c n PHE 63 Cb 0.12 -0.42 -0.03 0.00 -0.94 0.00 0.00 39.48 38.22 2b4c n PHE 63 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2b4c s ARG 64 N -3.68 4.26 -1.42 -1.08 0.52 -1.14 -3.12 118.95 113.29 2b4c s ARG 64 Ca 0.49 1.90 0.00 0.00 -0.52 0.00 0.00 55.73 57.60 2b4c s ARG 64 Cb 0.39 -3.70 0.00 0.00 0.52 0.00 0.00 34.95 32.15 2b4c s ARG 64 CO -0.23 -0.65 0.00 0.41 0.02 0.00 0.00 175.30 174.85 2b4c n GLY 65 N 3.70 0.61 0.00 -3.53 0.00 -1.26 -4.85 105.19 99.87 2b4c n GLY 65 Ca 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2b4c n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b4c n ARG 66 N -2.50 2.99 -4.13 1.61 1.74 -1.18 -4.91 116.66 110.28 2b4c n ARG 66 Ca -0.16 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.57 2b4c n ARG 66 Cb 0.56 -0.92 -0.08 0.00 -1.02 0.00 0.00 32.46 31.01 2b4c n ARG 66 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2b4c s VAL 67 N -1.81 4.81 -0.36 1.55 -7.23 -1.25 -1.84 120.40 114.27 2b4c s VAL 67 Ca 0.00 -0.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.99 2b4c s VAL 67 Cb 0.00 -3.11 0.14 0.00 0.56 0.00 0.00 36.38 33.97 2b4c s VAL 67 CO 0.00 0.51 0.22 -0.89 -0.31 0.00 0.00 175.10 174.63 2b4c s THR 68 N -1.05 0.30 -0.30 5.32 2.01 -0.99 -4.99 115.64 115.94 2b4c s THR 68 Ca 0.18 -1.84 -0.29 0.00 0.31 0.00 0.00 61.69 60.04 2b4c s THR 68 Cb -0.12 -1.23 0.00 0.00 0.01 0.00 0.00 72.50 71.17 2b4c s THR 68 CO 0.07 -0.99 1.28 -0.36 -0.69 0.00 0.00 174.62 173.94 2b4c s PHE 69 N 0.95 2.72 0.13 4.92 0.08 -1.26 -3.59 117.98 121.93 2b4c s PHE 69 Ca 0.18 0.89 0.08 0.00 0.12 0.00 0.00 56.93 58.21 2b4c s PHE 69 Cb -0.22 -3.89 -0.04 0.00 -0.57 0.00 0.00 43.02 38.30 2b4c s PHE 69 CO 0.00 -1.64 -0.20 0.95 -0.10 0.00 0.00 175.22 174.23 2b4c s THR 70 N 4.30 1.75 -0.04 0.64 -4.23 -1.16 -4.97 115.64 111.93 2b4c s THR 70 Ca 0.55 -1.70 0.01 0.00 -1.18 0.00 0.00 61.69 59.37 2b4c s THR 70 Cb -0.16 -1.67 0.02 0.00 1.34 0.00 0.00 72.50 72.03 2b4c s THR 70 CO 0.22 -0.18 -0.03 0.00 -0.54 0.00 0.00 174.62 174.10 2b4c s ALA 71 N -1.55 0.60 -0.46 3.99 0.00 -1.26 0.02 121.76 123.09 2b4c s ALA 71 Ca 0.10 -0.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.95 2b4c s ALA 71 Cb -0.08 -0.41 0.11 0.00 0.00 0.00 0.00 23.12 22.73 2b4c s ALA 71 CO 0.05 -0.05 0.33 0.34 0.00 0.00 0.00 175.76 176.44 2b4c s ASP 72 N 0.98 5.73 0.23 0.00 3.68 -0.73 -4.95 116.67 121.61 2b4c s ASP 72 Ca -0.10 -1.78 0.22 0.00 2.13 0.00 0.00 52.55 53.02 2b4c s ASP 72 Cb -0.14 -2.02 0.94 0.00 -1.45 0.00 0.00 42.92 40.24 2b4c s ASP 72 CO -0.01 -0.66 1.67 0.00 0.13 0.00 0.00 175.17 176.30 2b4c n GLN 73 N 4.94 0.17 -0.01 4.34 6.02 -1.26 -0.91 117.38 130.67 2b4c n GLN 73 Ca -0.09 0.42 -0.16 0.00 -0.01 0.00 0.00 57.00 57.16 2b4c n GLN 73 Cb 0.41 -1.83 -0.05 0.00 1.02 0.00 0.00 30.24 29.79 2b4c n GLN 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b4c h ALA 74 N 2.28 0.36 -0.02 -1.58 0.00 -1.95 -3.19 119.26 115.15 2b4c h ALA 74 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2b4c h ALA 74 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2b4c h ALA 74 CO 0.00 0.70 -0.17 0.25 0.00 0.00 0.00 179.25 180.03 2b4c n THR 75 N -3.92 0.00 -3.78 0.00 -2.24 -1.13 -4.97 114.28 98.24 2b4c n THR 75 Ca -0.07 -0.42 -0.26 0.00 -2.27 0.00 0.00 64.05 61.03 2b4c n THR 75 Cb 0.74 1.35 0.04 0.00 -2.10 0.00 0.00 70.33 70.37 2b4c n THR 75 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2b4c n SER 76 N 0.68 -4.10 -4.25 3.42 7.64 -0.09 -4.71 113.62 112.21 2b4c n SER 76 Ca 0.11 -0.74 -0.31 0.00 1.01 0.00 0.00 58.87 58.94 2b4c n SER 76 Cb 0.48 -4.19 -0.16 0.00 -1.01 0.00 0.00 64.21 59.32 2b4c n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2b4c s THR 77 N -3.39 1.96 -0.14 0.44 2.01 -0.90 -1.32 115.64 114.29 2b4c s THR 77 Ca 0.46 -1.02 -0.10 0.00 0.31 0.00 0.00 61.69 61.34 2b4c s THR 77 Cb -0.22 -1.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 2b4c s THR 77 CO 0.80 0.55 0.20 0.00 -0.69 0.00 0.00 174.62 175.48 2b4c s ALA 78 N -0.18 3.73 0.31 7.40 0.00 -0.55 -1.78 121.76 130.69 2b4c s ALA 78 Ca -0.02 -0.57 0.09 0.00 0.00 0.00 0.00 51.96 51.46 2b4c s ALA 78 Cb -0.13 -2.18 -0.05 0.00 0.00 0.00 0.00 23.12 20.76 2b4c s ALA 78 CO 0.03 0.33 0.04 0.71 0.00 0.00 0.00 175.76 176.87 2b4c s TYR 79 N -0.23 2.64 -0.26 0.00 1.51 0.10 -0.34 117.35 120.77 2b4c s TYR 79 Ca 0.14 -0.34 -0.09 0.00 -1.01 0.00 0.00 57.07 55.77 2b4c s TYR 79 Cb -0.12 -1.40 0.11 0.00 -0.11 0.00 0.00 41.96 40.43 2b4c s TYR 79 CO 0.03 0.50 0.57 1.41 -1.11 0.00 0.00 175.55 176.95 2b4c s MET 80 N -3.73 0.50 -0.08 -0.62 1.75 -0.45 -2.99 119.30 113.68 2b4c s MET 80 Ca 0.34 1.30 0.05 0.00 -1.25 0.00 0.00 55.69 56.13 2b4c s MET 80 Cb -0.03 0.65 -0.01 0.00 2.84 0.00 0.00 34.83 38.28 2b4c s MET 80 CO 0.20 -0.21 -0.24 -2.00 -0.65 0.00 0.00 175.02 172.12 2b4c s GLU 81 N 2.72 2.76 -0.17 4.11 2.12 -1.24 -0.18 118.70 128.83 2b4c s GLU 81 Ca -0.05 -0.89 0.01 0.00 0.36 0.00 0.00 54.97 54.40 2b4c s GLU 81 Cb -0.12 -2.23 0.02 0.00 0.26 0.00 0.00 34.13 32.06 2b4c s GLU 81 CO -0.17 0.31 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.51 2b4c s LEU 82 N 0.03 1.97 0.38 2.70 2.96 -0.19 -2.35 118.68 124.18 2b4c s LEU 82 Ca -0.09 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.24 2b4c s LEU 82 Cb -0.15 -1.37 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 2b4c s LEU 82 CO 0.06 -0.02 0.58 0.42 -1.32 0.00 0.00 176.35 176.06 2b4c s THR 82 N 1.35 4.63 -0.71 3.68 -4.23 -0.76 -1.90 115.64 117.70 2b4c s THR 82 Ca 0.05 -0.54 -0.05 0.00 -1.18 0.00 0.00 61.69 59.96 2b4c s THR 82 Cb -0.13 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 70.03 2b4c s THR 82 CO -0.12 -0.44 0.65 0.59 -0.54 0.00 0.00 174.62 174.76 2b4c n ASN 82 N -1.86 -6.48 -4.75 3.99 4.13 -1.21 -4.92 115.26 104.15 2b4c n ASN 82 Ca -0.02 -0.36 -0.40 0.00 1.68 0.00 0.00 54.58 55.48 2b4c n ASN 82 Cb 0.57 -3.59 -0.06 0.00 -1.54 0.00 0.00 39.78 35.16 2b4c n ASN 82 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2b4c s LEU 82 N -4.08 4.63 0.36 3.41 1.43 -1.14 -4.78 118.68 118.51 2b4c s LEU 82 Ca 0.06 1.98 0.03 0.00 -1.03 0.00 0.00 54.13 55.18 2b4c s LEU 82 Cb -0.01 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 2b4c s LEU 82 CO 0.82 0.12 0.09 -0.13 0.23 0.00 0.00 176.35 177.47 2b4c s ARG 83 N -1.24 1.75 0.58 1.70 1.81 -1.26 -1.82 118.95 120.47 2b4c s ARG 83 Ca 0.42 -2.01 0.27 0.00 -1.72 0.00 0.00 55.73 52.69 2b4c s ARG 83 Cb -0.26 -0.75 1.61 0.00 -0.45 0.00 0.00 34.95 35.10 2b4c s ARG 83 CO 0.33 -0.31 2.10 1.03 -0.68 0.00 0.00 175.30 177.77 2b4c h SER 84 N 1.99 0.00 1.62 0.23 0.87 -1.98 0.21 113.55 116.49 2b4c h SER 84 Ca -0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2b4c h SER 84 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2b4c h SER 84 CO 0.64 0.00 -0.03 -2.24 -0.53 0.00 0.00 176.83 174.68 2b4c h ASP 85 N 0.00 0.00 0.89 6.23 2.03 -1.96 -3.13 116.42 120.48 2b4c h ASP 85 Ca 0.09 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 2b4c h ASP 85 Cb 0.49 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 2b4c h ASP 85 CO -0.00 0.00 0.00 0.47 -1.03 0.00 0.00 179.24 178.68 2b4c n ASP 86 N -2.52 0.04 -4.60 4.15 10.43 0.06 -4.73 116.55 119.38 2b4c n ASP 86 Ca 0.05 0.50 -0.43 0.00 2.57 0.00 0.00 54.79 57.48 2b4c n ASP 86 Cb 0.46 -0.51 -0.03 0.00 1.84 0.00 0.00 41.12 42.88 2b4c n ASP 86 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2b4c s THR 87 N -3.01 3.36 0.23 -3.53 2.01 -1.19 -4.89 115.64 108.62 2b4c s THR 87 Ca 0.12 0.36 -0.22 0.00 0.31 0.00 0.00 61.69 62.26 2b4c s THR 87 Cb 0.16 -3.48 0.04 0.00 0.01 0.00 0.00 72.50 69.23 2b4c s THR 87 CO 0.47 -0.30 0.81 0.00 -0.69 0.00 0.00 174.62 174.90 2b4c s ALA 88 N 7.23 -1.38 -0.66 7.40 0.00 -1.09 -4.57 121.76 128.69 2b4c s ALA 88 Ca 0.85 -0.15 -0.19 0.00 0.00 0.00 0.00 51.96 52.48 2b4c s ALA 88 Cb -0.25 0.77 0.12 0.00 0.00 0.00 0.00 23.12 23.76 2b4c s ALA 88 CO 0.34 -1.04 0.78 0.08 0.00 0.00 0.00 175.76 175.92 2b4c s VAL 89 N -3.68 4.87 -0.15 0.00 1.01 -0.18 -1.61 120.40 120.65 2b4c s VAL 89 Ca 0.11 -1.20 -0.29 0.00 0.00 0.00 0.00 61.98 60.60 2b4c s VAL 89 Cb -0.04 -4.54 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 2b4c s VAL 89 CO 0.05 -1.18 1.31 -0.31 0.00 0.00 0.00 175.10 174.97 2b4c s TYR 90 N 2.48 2.75 -0.12 5.22 1.51 0.89 -2.38 117.35 127.69 2b4c s TYR 90 Ca 0.15 0.91 -0.07 0.00 -1.01 0.00 0.00 57.07 57.06 2b4c s TYR 90 Cb -0.20 -3.55 -0.04 0.00 -0.11 0.00 0.00 41.96 38.06 2b4c s TYR 90 CO 0.03 -1.95 0.14 0.71 -1.11 0.00 0.00 175.55 173.37 2b4c s TYR 91 N 3.57 3.59 -0.39 2.71 2.02 -1.01 -1.58 117.35 126.25 2b4c s TYR 91 Ca 0.57 0.52 -0.10 0.00 -0.37 0.00 0.00 57.07 57.69 2b4c s TYR 91 Cb -0.23 -1.95 0.05 0.00 -0.40 0.00 0.00 41.96 39.44 2b4c s TYR 91 CO 0.16 0.72 0.22 0.00 -1.57 0.00 0.00 175.55 175.09 2b4c s ALA 93 N 1.48 2.95 -0.14 0.00 0.00 -0.55 -0.78 121.76 124.72 2b4c s ALA 93 Ca 0.02 -0.84 -0.24 0.00 0.00 0.00 0.00 51.96 50.91 2b4c s ALA 93 Cb -0.21 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.42 2b4c s ALA 93 CO 0.04 0.27 0.75 0.50 0.00 0.00 0.00 175.76 177.32 2b4c s ARG 94 N 0.21 4.33 0.86 0.00 3.52 0.52 -1.52 118.95 126.87 2b4c s ARG 94 Ca -0.03 0.89 -0.13 0.00 -0.13 0.00 0.00 55.73 56.33 2b4c s ARG 94 Cb -0.14 -3.53 0.08 0.00 -1.56 0.00 0.00 34.95 29.80 2b4c s ARG 94 CO 0.03 -0.17 0.96 -3.47 -0.81 0.00 0.00 175.30 171.83 2b4c n ASP 95 N 4.69 -0.03 -0.14 -2.12 2.03 0.16 -2.87 116.55 118.26 2b4c n ASP 95 Ca 0.01 0.49 -0.02 0.00 0.52 0.00 0.00 54.79 55.79 2b4c n ASP 95 Cb 0.50 -1.41 0.20 0.00 -0.72 0.00 0.00 41.12 39.69 2b4c n ASP 95 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2b4c h PHE 96 N -1.27 0.86 0.00 -0.67 3.57 -1.91 -3.42 116.94 114.10 2b4c h PHE 96 Ca -0.45 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 60.99 2b4c h PHE 96 Cb 1.29 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.77 2b4c h PHE 96 CO 0.45 0.70 0.00 0.41 -2.23 0.00 0.00 178.31 177.63 2b4c n GLY 97 N -0.94 1.36 3.77 2.40 0.00 -1.26 -4.96 105.19 105.55 2b4c n GLY 97 Ca 0.04 -2.20 -0.40 0.00 0.00 0.00 0.00 46.02 43.47 2b4c n GLY 97 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2b4c s PRO 98 N -1.42 3.99 -0.60 1.61 0.02 -1.26 -4.58 135.00 132.75 2b4c s PRO 98 Ca 0.00 2.19 -0.21 0.00 0.02 0.00 0.00 61.00 63.00 2b4c s PRO 98 Cb 0.00 -2.78 0.07 0.00 0.02 0.00 0.00 34.50 31.81 2b4c s PRO 98 CO 0.00 -0.49 0.85 0.34 -0.33 0.00 0.00 177.00 177.37 2b4c s ASP 99 N -0.68 6.21 0.10 2.53 -1.08 -1.26 -4.92 116.67 117.56 2b4c s ASP 99 Ca 0.56 -0.99 -0.12 0.00 -0.52 0.00 0.00 52.55 51.48 2b4c s ASP 99 Cb -0.39 -2.37 -0.17 0.00 -1.46 0.00 0.00 42.92 38.52 2b4c s ASP 99 CO 0.50 -1.25 1.27 -0.50 0.52 0.00 0.00 175.17 175.71 2b4c h TRP 100 N 9.35 1.03 -0.41 -5.34 4.06 -1.93 -2.43 115.95 120.28 2b4c h TRP 100 Ca -0.28 -0.50 0.00 0.00 2.06 0.00 0.00 58.89 60.17 2b4c h TRP 100 Cb 1.08 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 29.10 2b4c h TRP 100 CO 0.89 1.33 0.00 0.39 -3.56 0.00 0.00 178.44 177.50 2b4c n GLU 101 N -3.89 1.98 0.00 0.49 1.02 -1.26 -4.62 120.64 114.35 2b4c n GLU 101 Ca -0.09 -1.51 0.00 0.00 -0.02 0.00 0.00 57.16 55.54 2b4c n GLU 101 Cb 0.80 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.89 2b4c n GLU 101 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2b4c n ASP 100 N 0.73 0.00 -4.79 1.62 -0.08 -1.25 -5.14 116.55 107.64 2b4c n ASP 100 Ca 0.14 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 53.07 2b4c n ASP 100 Cb 0.36 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.75 2b4c n ASP 100 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2b4c s GLY 100 N -1.21 2.69 -0.17 0.27 0.00 -0.91 -4.99 107.32 102.99 2b4c s GLY 100 Ca 0.00 0.50 0.15 0.00 0.00 0.00 0.00 44.72 45.37 2b4c s GLY 100 CO 0.00 0.90 1.19 1.22 0.00 0.00 0.00 173.10 176.41 2b4c n ASP 100 N 0.21 2.05 -3.45 1.64 8.00 -1.26 -4.59 116.55 119.15 2b4c n ASP 100 Ca 0.03 -3.51 -0.13 0.00 0.71 0.00 0.00 54.79 51.89 2b4c n ASP 100 Cb 0.51 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 2b4c n ASP 100 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2b4c s SER 100 N -3.05 -0.59 -0.38 -2.24 1.04 -1.26 -5.12 113.70 102.10 2b4c s SER 100 Ca 0.35 0.18 0.06 0.00 0.48 0.00 0.00 55.95 57.03 2b4c s SER 100 Cb 0.33 0.58 0.18 0.00 0.10 0.00 0.00 66.02 67.21 2b4c s SER 100 CO -0.02 -0.88 0.56 -0.47 0.98 0.00 0.00 173.24 173.41 2b4c s TYR 100 N -3.11 -1.41 0.39 5.02 5.04 -1.26 -4.73 117.35 117.29 2b4c s TYR 100 Ca -0.02 0.14 0.04 0.00 -2.44 0.00 0.00 57.07 54.79 2b4c s TYR 100 Cb -0.01 0.14 -0.04 0.00 0.35 0.00 0.00 41.96 42.40 2b4c s TYR 100 CO -0.07 -1.11 0.08 0.34 -1.34 0.00 0.00 175.55 173.45 2b4c s ASP 100 N 1.93 2.82 1.29 4.32 -1.08 -1.26 -4.95 116.67 119.74 2b4c s ASP 100 Ca 0.15 -1.56 0.00 0.00 -0.52 0.00 0.00 52.55 50.63 2b4c s ASP 100 Cb -0.08 0.27 0.00 0.00 -1.46 0.00 0.00 42.92 41.65 2b4c s ASP 100 CO -0.10 -0.79 0.00 0.61 0.52 0.00 0.00 175.17 175.41 2b4c n GLY 100 N -0.87 1.33 0.43 2.66 0.00 -1.26 -2.74 105.19 104.74 2b4c n GLY 100 Ca -0.06 0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.21 2b4c n GLY 100 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2b4c n SER 100 N 10.11 1.45 0.00 1.61 3.41 -1.26 -2.75 113.62 126.19 2b4c n SER 100 Ca 0.00 -2.82 0.00 0.00 -0.26 0.00 0.00 58.87 55.79 2b4c n SER 100 Cb 0.00 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 2b4c n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b4c n GLY 100 N -0.78 0.09 0.19 5.00 0.00 -1.11 -4.40 105.19 104.17 2b4c n GLY 100 Ca 0.11 -2.29 -0.14 0.00 0.00 0.00 0.00 46.02 43.70 2b4c n GLY 100 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2b4c h ARG 100 N 7.89 0.58 0.00 1.61 2.43 -1.86 -3.42 114.38 121.61 2b4c h ARG 100 Ca 0.00 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 2b4c h ARG 100 Cb 0.00 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2b4c h ARG 100 CO 0.00 0.93 0.00 0.41 -1.51 0.00 0.00 179.97 179.80 2b4c n GLY 100 N 0.24 -0.70 3.64 2.80 0.00 -1.26 -5.10 105.19 104.81 2b4c n GLY 100 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 2b4c n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2b4c s PHE 100 N 0.00 -0.96 -0.22 1.61 0.08 -1.26 -5.00 117.98 112.22 2b4c s PHE 100 Ca 0.00 1.92 -0.19 0.00 0.12 0.00 0.00 56.93 58.78 2b4c s PHE 100 Cb 0.00 0.58 -0.16 0.00 -0.57 0.00 0.00 43.02 42.86 2b4c s PHE 100 CO 0.00 -0.48 0.05 -0.40 -0.10 0.00 0.00 175.22 174.30 2b4c n ASP 101 N 4.21 1.88 -4.70 1.36 3.85 -1.14 -4.89 116.55 117.12 2b4c n ASP 101 Ca -0.19 0.42 -0.39 0.00 -0.71 0.00 0.00 54.79 53.91 2b4c n ASP 101 Cb 0.58 -0.93 -0.06 0.00 -1.35 0.00 0.00 41.12 39.37 2b4c n ASP 101 CO 0.00 0.00 0.00 -0.36 -1.01 0.00 0.00 177.20 175.83 2b4c s PHE 102 N -2.40 3.49 0.21 2.11 0.40 -1.25 -4.99 117.98 115.56 2b4c s PHE 102 Ca -0.30 1.00 0.11 0.00 -0.60 0.00 0.00 56.93 57.13 2b4c s PHE 102 Cb 0.08 -2.69 -0.04 0.00 0.51 0.00 0.00 43.02 40.87 2b4c s PHE 102 CO 0.54 0.05 -0.18 -1.58 0.70 0.00 0.00 175.22 174.76 2b4c s TRP 103 N 1.03 2.42 0.55 0.36 0.52 -1.26 -0.36 118.94 122.21 2b4c s TRP 103 Ca 0.30 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 56.12 2b4c s TRP 103 Cb -0.16 -1.16 0.03 0.00 -1.15 0.00 0.00 33.47 31.03 2b4c s TRP 103 CO 0.13 0.54 0.78 0.20 0.02 0.00 0.00 176.95 178.62 2b4c s GLY 104 N -2.90 1.82 0.40 0.98 0.00 0.04 -4.77 107.32 102.89 2b4c s GLY 104 Ca 0.24 -1.31 0.07 0.00 0.00 0.00 0.00 44.72 43.71 2b4c s GLY 104 CO 0.13 -1.03 2.01 1.46 0.00 0.00 0.00 173.10 175.67 2b4c h GLN 105 N 0.06 0.50 0.00 2.90 4.20 -1.88 -3.44 115.11 117.44 2b4c h GLN 105 Ca -0.42 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.24 2b4c h GLN 105 Cb 1.30 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2b4c h GLN 105 CO 0.52 0.39 0.00 0.41 -0.67 0.00 0.00 178.83 179.48 2b4c n GLY 106 N -1.31 -0.57 3.17 3.46 0.00 -1.26 -5.04 105.19 103.64 2b4c n GLY 106 Ca 0.02 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 2b4c n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2b4c s THR 107 N -0.77 1.79 -0.47 2.61 -4.23 -0.62 -4.93 115.64 109.02 2b4c s THR 107 Ca 0.00 -0.88 -0.20 0.00 -1.18 0.00 0.00 61.69 59.43 2b4c s THR 107 Cb 0.00 -1.56 0.03 0.00 1.34 0.00 0.00 72.50 72.32 2b4c s THR 107 CO 0.00 0.50 0.66 -0.22 -0.54 0.00 0.00 174.62 175.02 2b4c s LEU 108 N 0.33 4.60 -0.40 4.79 2.96 -1.26 -0.08 118.68 129.63 2b4c s LEU 108 Ca -0.15 -0.51 -0.16 0.00 -0.22 0.00 0.00 54.13 53.09 2b4c s LEU 108 Cb -0.16 -2.65 0.01 0.00 0.50 0.00 0.00 46.19 43.89 2b4c s LEU 108 CO 0.07 -0.85 0.36 -0.69 -1.32 0.00 0.00 176.35 173.93 2b4c s VAL 109 N 2.85 5.17 -0.14 1.68 1.01 -0.63 -3.32 120.40 127.02 2b4c s VAL 109 Ca 0.21 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 2b4c s VAL 109 Cb -0.15 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 2b4c s VAL 109 CO 0.17 -0.30 0.31 -0.89 0.00 0.00 0.00 175.10 174.38 2b4c s THR 110 N 1.93 5.28 -0.47 3.92 2.01 -0.91 -2.67 115.64 124.74 2b4c s THR 110 Ca 0.09 0.58 -0.14 0.00 0.31 0.00 0.00 61.69 62.54 2b4c s THR 110 Cb -0.18 -3.64 0.08 0.00 0.01 0.00 0.00 72.50 68.78 2b4c s THR 110 CO 0.12 0.42 0.37 -0.69 -0.69 0.00 0.00 174.62 174.15 2b4c s VAL 111 N 0.21 4.98 0.09 3.82 1.01 -1.26 -1.41 120.40 127.84 2b4c s VAL 111 Ca 0.18 -1.19 -0.14 0.00 0.00 0.00 0.00 61.98 60.83 2b4c s VAL 111 Cb -0.13 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.26 2b4c s VAL 111 CO 0.05 -0.59 0.32 -0.55 0.00 0.00 0.00 175.10 174.34 2b4c s SER 112 N 2.57 -0.12 0.32 3.32 0.15 -1.03 -4.71 113.70 114.20 2b4c s SER 112 Ca 0.04 -0.34 0.23 0.00 0.70 0.00 0.00 55.95 56.57 2b4c s SER 112 Cb -0.24 0.41 0.23 0.00 -1.71 0.00 0.00 66.02 64.70 2b4c s SER 112 CO 0.05 -0.74 1.38 0.28 1.20 0.00 0.00 173.24 175.41 2b4c h SER 113 N 2.74 0.00 -4.04 5.45 0.02 -1.96 -3.23 113.55 112.53 2b4c h SER 113 Ca -0.33 -0.01 -0.50 0.00 -0.84 0.00 0.00 61.79 60.10 2b4c h SER 113 Cb 1.22 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.83 2b4c h SER 113 CO 0.49 0.01 0.46 0.00 -1.14 0.00 0.00 176.83 176.64 2b4c s ALA 114 N -3.26 2.87 0.54 3.77 0.00 -1.26 -4.97 121.76 119.44 2b4c s ALA 114 Ca 0.04 0.87 -0.09 0.00 0.00 0.00 0.00 51.96 52.78 2b4c s ALA 114 Cb 0.08 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2b4c s ALA 114 CO 0.72 -0.67 0.91 -1.12 0.00 0.00 0.00 175.76 175.60 2b4c s SER 115 N -1.55 6.30 0.48 0.00 0.01 -1.26 -4.97 113.70 112.71 2b4c s SER 115 Ca 0.67 1.22 -0.22 0.00 1.31 0.00 0.00 55.95 58.93 2b4c s SER 115 Cb -0.26 -2.38 -0.07 0.00 0.21 0.00 0.00 66.02 63.52 2b4c s SER 115 CO 0.31 -0.69 1.15 0.42 0.41 0.00 0.00 173.24 174.83 2b4c s THR 116 N -2.89 3.17 -0.04 1.44 -4.23 -1.26 -4.87 115.64 106.96 2b4c s THR 116 Ca 0.52 0.84 0.01 0.00 -1.18 0.00 0.00 61.69 61.88 2b4c s THR 116 Cb -0.11 -3.40 0.02 0.00 1.34 0.00 0.00 72.50 70.36 2b4c s THR 116 CO 0.47 -0.05 -0.03 -0.75 -0.54 0.00 0.00 174.62 173.71 2b4c s LYS 117 N -2.85 0.72 0.27 3.99 2.36 -0.52 -4.94 119.74 118.76 2b4c s LYS 117 Ca 0.66 -0.06 -0.29 0.00 -2.55 0.00 0.00 55.97 53.72 2b4c s LYS 117 Cb -0.27 -0.78 -0.09 0.00 -1.05 0.00 0.00 37.83 35.64 2b4c s LYS 117 CO 0.32 -0.10 1.21 0.20 1.55 0.00 0.00 175.35 178.53 2b4c s GLY 118 N 0.98 2.89 0.36 5.54 0.00 -1.26 -2.90 107.32 112.92 2b4c s GLY 118 Ca -0.10 1.04 -0.26 0.00 0.00 0.00 0.00 44.72 45.40 2b4c s GLY 118 CO -0.00 1.77 1.04 2.56 0.00 0.00 0.00 173.10 178.47 2b4c s PRO 119 N -1.13 4.36 -0.22 2.90 0.04 -1.25 -4.66 135.00 135.03 2b4c s PRO 119 Ca 0.49 1.56 -0.08 0.00 0.04 0.00 0.00 61.00 63.01 2b4c s PRO 119 Cb -0.35 -2.76 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 2b4c s PRO 119 CO 0.43 0.02 0.08 -1.12 0.04 0.00 0.00 177.00 176.45 2b4c s SER 120 N -1.39 5.45 -0.20 6.66 0.01 -0.47 -4.94 113.70 118.82 2b4c s SER 120 Ca 0.53 -0.05 -0.11 0.00 1.31 0.00 0.00 55.95 57.62 2b4c s SER 120 Cb -0.24 -1.96 -0.05 0.00 0.21 0.00 0.00 66.02 63.98 2b4c s SER 120 CO 0.30 0.06 0.19 -0.69 0.41 0.00 0.00 173.24 173.52 2b4c s VAL 121 N 1.03 5.37 -0.07 3.43 1.01 -1.26 -0.86 120.40 129.05 2b4c s VAL 121 Ca 0.04 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.37 2b4c s VAL 121 Cb -0.14 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.71 2b4c s VAL 121 CO 0.03 0.41 -0.21 -0.36 0.00 0.00 0.00 175.10 174.97 2b4c s PHE 122 N 0.52 2.15 0.35 5.22 0.08 -0.36 -4.94 117.98 121.01 2b4c s PHE 122 Ca 0.11 -0.72 -0.27 0.00 0.12 0.00 0.00 56.93 56.16 2b4c s PHE 122 Cb -0.12 -1.44 -0.09 0.00 -0.57 0.00 0.00 43.02 40.80 2b4c s PHE 122 CO 0.01 -0.26 1.19 -2.14 -0.10 0.00 0.00 175.22 173.91 2b4c s PRO 123 N 0.13 4.27 -0.75 0.24 0.02 -1.26 0.12 135.00 137.76 2b4c s PRO 123 Ca -0.09 1.92 0.03 0.00 0.02 0.00 0.00 61.00 62.88 2b4c s PRO 123 Cb -0.15 -2.89 0.28 0.00 0.02 0.00 0.00 34.50 31.77 2b4c s PRO 123 CO 0.05 -0.16 1.01 1.28 -0.33 0.00 0.00 177.00 178.85 2b4c n LEU 124 N 0.51 4.70 -4.68 -5.54 4.77 -0.05 -4.82 117.00 111.89 2b4c n LEU 124 Ca 0.02 -5.44 -0.38 0.00 -0.03 0.00 0.00 56.01 50.18 2b4c n LEU 124 Cb 0.45 -0.81 0.05 0.00 -2.33 0.00 0.00 43.42 40.77 2b4c n LEU 124 CO 0.53 2.03 0.78 0.00 -1.33 0.00 0.00 177.39 179.41 2b4c n ALA 125 N 0.70 0.91 -1.78 -1.18 0.00 -1.26 -2.00 120.51 115.90 2b4c n ALA 125 Ca 0.30 0.09 -0.36 0.00 0.00 0.00 0.00 53.44 53.47 2b4c n ALA 125 Cb 0.38 -2.24 -0.02 0.00 0.00 0.00 0.00 19.45 17.57 2b4c n ALA 125 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2b4c s PRO 126 N -2.79 3.82 0.18 0.00 0.02 -1.26 -4.93 135.00 130.04 2b4c s PRO 126 Ca 0.73 1.66 0.04 0.00 0.02 0.00 0.00 61.00 63.45 2b4c s PRO 126 Cb -0.43 -2.37 -0.02 0.00 0.02 0.00 0.00 34.50 31.71 2b4c s PRO 126 CO 0.48 -0.47 0.15 0.43 -0.33 0.00 0.00 177.00 177.26 2b4c n SER 127 N -0.51 -0.29 0.18 2.53 7.64 -1.26 -4.34 113.62 117.57 2b4c n SER 127 Ca 0.07 -2.18 0.03 0.00 1.01 0.00 0.00 58.87 57.81 2b4c n SER 127 Cb 0.49 0.88 0.34 0.00 -1.01 0.00 0.00 64.21 64.91 2b4c n SER 127 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2b4c h SER 128 N 1.09 0.00 -1.38 6.43 0.02 -1.99 -3.06 113.55 114.66 2b4c h SER 128 Ca -0.13 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.13 2b4c h SER 128 Cb 0.65 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 62.88 2b4c h SER 128 CO 0.19 0.41 0.69 0.29 -1.14 0.00 0.00 176.83 177.27 2b4c n LYS 129 N -3.85 2.84 -0.84 3.45 5.02 -1.26 -4.20 118.16 119.33 2b4c n LYS 129 Ca -0.01 -3.53 -0.02 0.00 -2.02 0.00 0.00 58.31 52.73 2b4c n LYS 129 Cb 0.46 -2.28 -0.02 0.00 -0.02 0.00 0.00 35.03 33.18 2b4c n LYS 129 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2b4c n SER 130 N -0.73 -0.16 -3.72 4.39 3.41 -1.16 -5.06 113.62 110.60 2b4c n SER 130 Ca 0.56 -1.68 -0.28 0.00 -0.26 0.00 0.00 58.87 57.21 2b4c n SER 130 Cb 0.53 0.01 -0.16 0.00 -0.26 0.00 0.00 64.21 64.33 2b4c n SER 130 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2b4c s THR 131 N 0.00 0.55 -0.94 6.66 -4.23 -1.26 -2.68 115.64 113.74 2b4c s THR 131 Ca 0.06 -0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 59.73 2b4c s THR 131 Cb 0.07 -1.17 0.24 0.00 1.34 0.00 0.00 72.50 72.97 2b4c s THR 131 CO -0.03 -0.37 0.87 -0.55 -0.54 0.00 0.00 174.62 174.00 2b4c s SER 132 N 1.83 6.59 0.00 3.99 0.15 -1.19 -4.96 113.70 120.10 2b4c s SER 132 Ca 0.02 -3.37 0.00 0.00 0.70 0.00 0.00 55.95 53.30 2b4c s SER 132 Cb -0.17 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 2b4c s SER 132 CO -0.15 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.58 2b4c n GLY 133 N 2.93 0.77 0.78 9.45 0.00 -1.26 -4.30 105.19 113.55 2b4c n GLY 133 Ca 0.19 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.78 2b4c n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b4c n GLY 134 N 0.00 0.70 3.80 -0.02 0.00 -1.26 -4.90 105.19 103.51 2b4c n GLY 134 Ca 0.00 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 2b4c n GLY 134 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2b4c s THR 135 N -1.86 4.91 0.21 2.61 -1.32 -1.26 -0.49 115.64 118.44 2b4c s THR 135 Ca 0.34 -0.25 0.10 0.00 -1.21 0.00 0.00 61.69 60.68 2b4c s THR 135 Cb 0.20 -3.21 -0.04 0.00 -1.51 0.00 0.00 72.50 67.94 2b4c s THR 135 CO 0.31 0.43 -0.14 0.00 -2.21 0.00 0.00 174.62 173.00 2b4c s ALA 136 N -1.14 2.83 -0.06 11.08 0.00 0.21 -3.18 121.76 131.49 2b4c s ALA 136 Ca 0.21 -1.61 0.01 0.00 0.00 0.00 0.00 51.96 50.57 2b4c s ALA 136 Cb -0.12 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.47 2b4c s ALA 136 CO 0.11 0.40 -0.07 0.00 0.00 0.00 0.00 175.76 176.20 2b4c s ALA 137 N -1.90 0.93 0.30 0.00 0.00 -1.09 -1.26 121.76 118.74 2b4c s ALA 137 Ca 0.25 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.02 2b4c s ALA 137 Cb -0.08 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 2b4c s ALA 137 CO 0.14 -0.01 0.30 -0.48 0.00 0.00 0.00 175.76 175.72 2b4c s LEU 138 N 0.91 1.40 0.00 0.00 -0.00 -1.18 -4.33 118.68 115.47 2b4c s LEU 138 Ca -0.11 -1.59 0.00 0.00 -0.00 0.00 0.00 54.13 52.43 2b4c s LEU 138 Cb -0.15 0.79 0.00 0.00 -0.00 0.00 0.00 46.19 46.83 2b4c s LEU 138 CO 0.01 -1.08 0.00 0.61 -0.00 0.00 0.00 176.35 175.89 2b4c n GLY 139 N -0.53 0.87 2.94 -3.48 0.00 -0.85 -1.60 105.19 102.55 2b4c n GLY 139 Ca 0.05 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 2b4c n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b4c s LEU 141 N -0.19 5.42 -0.59 0.00 2.96 0.31 -1.26 118.68 125.33 2b4c s LEU 141 Ca 0.01 -1.65 -0.26 0.00 -0.22 0.00 0.00 54.13 52.01 2b4c s LEU 141 Cb -0.02 -2.02 0.04 0.00 0.50 0.00 0.00 46.19 44.69 2b4c s LEU 141 CO -0.00 -0.61 1.06 -0.69 -1.32 0.00 0.00 176.35 174.79 2b4c s VAL 142 N 1.42 4.18 -0.01 1.68 1.01 0.47 -1.22 120.40 127.93 2b4c s VAL 142 Ca 0.04 0.44 0.06 0.00 0.00 0.00 0.00 61.98 62.53 2b4c s VAL 142 Cb -0.24 -4.66 -0.03 0.00 0.00 0.00 0.00 36.38 31.45 2b4c s VAL 142 CO 0.01 -1.31 -0.20 -0.75 0.00 0.00 0.00 175.10 172.86 2b4c s LYS 143 N 4.49 2.23 -0.26 2.72 2.20 -0.04 -1.19 119.74 129.89 2b4c s LYS 143 Ca 0.34 -0.86 -0.03 0.00 -0.36 0.00 0.00 55.97 55.06 2b4c s LYS 143 Cb -0.11 -2.19 0.01 0.00 -1.51 0.00 0.00 37.83 34.03 2b4c s LYS 143 CO 0.20 0.58 0.06 -0.25 -0.36 0.00 0.00 175.35 175.57 2b4c n ASP 144 N 2.17 -6.22 -3.48 1.43 8.00 -1.05 -1.37 116.55 116.03 2b4c n ASP 144 Ca -0.17 1.35 -0.14 0.00 0.71 0.00 0.00 54.79 56.54 2b4c n ASP 144 Cb 0.52 -5.04 -0.04 0.00 -0.02 0.00 0.00 41.12 36.54 2b4c n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2b4c s TYR 145 N -1.35 -0.56 -0.25 1.24 -0.85 -1.04 -3.94 117.35 110.60 2b4c s TYR 145 Ca -0.07 0.62 -0.16 0.00 -0.52 0.00 0.00 57.07 56.95 2b4c s TYR 145 Cb 0.00 0.47 0.07 0.00 0.38 0.00 0.00 41.96 42.88 2b4c s TYR 145 CO 0.73 -0.73 0.61 0.12 -1.52 0.00 0.00 175.55 174.76 2b4c s PHE 146 N -2.66 -0.89 0.00 -3.49 5.36 -1.14 -1.12 117.98 114.04 2b4c s PHE 146 Ca -0.04 1.85 0.00 0.00 -0.96 0.00 0.00 56.93 57.78 2b4c s PHE 146 Cb -0.01 0.47 0.00 0.00 -0.34 0.00 0.00 43.02 43.15 2b4c s PHE 146 CO -0.03 -0.45 0.00 -0.35 -1.46 0.00 0.00 175.22 172.93 2b4c n PRO 147 N 4.00 2.53 -1.29 10.12 -0.04 -1.26 -1.44 135.00 147.62 2b4c n PRO 147 Ca -0.20 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.96 2b4c n PRO 147 Cb 0.57 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.14 2b4c n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2b4c s GLU 148 N 0.95 1.99 0.39 0.54 0.41 -1.26 -4.82 118.70 116.90 2b4c s GLU 148 Ca 0.00 1.01 0.03 0.00 -0.41 0.00 0.00 54.97 55.60 2b4c s GLU 148 Cb 0.00 -1.88 0.03 0.00 -1.78 0.00 0.00 34.13 30.50 2b4c s GLU 148 CO 0.00 -1.78 0.27 -0.35 -0.49 0.00 0.00 175.26 172.91 2b4c n PRO 149 N -3.60 0.93 -3.99 0.39 -0.04 -1.26 -4.84 135.00 122.60 2b4c n PRO 149 Ca 0.08 -2.44 -0.23 0.00 -0.04 0.00 0.00 63.50 60.87 2b4c n PRO 149 Cb 0.54 0.29 -0.17 0.00 -0.04 0.00 0.00 33.50 34.12 2b4c n PRO 149 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2b4c s VAL 150 N -1.95 0.62 -0.32 0.52 1.01 -1.26 -4.57 120.40 114.45 2b4c s VAL 150 Ca 0.20 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 2b4c s VAL 150 Cb -0.02 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 2b4c s VAL 150 CO 0.13 0.28 0.37 -0.89 0.00 0.00 0.00 175.10 174.98 2b4c s THR 151 N 1.46 5.16 -0.17 3.92 2.01 -0.22 -4.89 115.64 122.91 2b4c s THR 151 Ca -0.02 0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.20 2b4c s THR 151 Cb -0.13 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 2b4c s THR 151 CO -0.03 -0.01 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.08 2b4c s VAL 152 N 2.05 2.94 0.28 3.82 1.01 -1.26 -0.54 120.40 128.72 2b4c s VAL 152 Ca 0.13 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.51 2b4c s VAL 152 Cb -0.16 -2.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.88 2b4c s VAL 152 CO 0.11 0.49 -0.06 -0.94 0.00 0.00 0.00 175.10 174.70 2b4c s SER 153 N 0.95 2.84 -0.08 3.32 1.04 -1.01 -4.94 113.70 115.83 2b4c s SER 153 Ca -0.02 -1.19 0.05 0.00 0.48 0.00 0.00 55.95 55.27 2b4c s SER 153 Cb -0.15 -0.18 -0.01 0.00 0.10 0.00 0.00 66.02 65.78 2b4c s SER 153 CO -0.01 -0.32 -0.24 0.26 0.98 0.00 0.00 173.24 173.90 2b4c s TRP 154 N -2.97 2.46 -1.43 5.02 0.52 -1.26 0.25 118.94 121.52 2b4c s TRP 154 Ca 0.30 -0.86 -0.08 0.00 0.02 0.00 0.00 56.10 55.48 2b4c s TRP 154 Cb 0.03 -1.63 0.05 0.00 -1.15 0.00 0.00 33.47 30.77 2b4c s TRP 154 CO 0.12 -0.31 0.89 0.09 0.02 0.00 0.00 176.95 177.77 2b4c n ASN 155 N 3.21 -3.54 -0.54 2.95 3.02 0.14 -0.61 115.26 119.90 2b4c n ASN 155 Ca -0.18 -0.78 -0.07 0.00 -0.03 0.00 0.00 54.58 53.53 2b4c n ASN 155 Cb 0.52 -4.04 -0.03 0.00 -0.61 0.00 0.00 39.78 35.62 2b4c n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2b4c n SER 156 N -2.93 -5.19 0.00 6.41 7.64 -1.26 -1.39 113.62 116.89 2b4c n SER 156 Ca -0.09 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2b4c n SER 156 Cb 0.59 -3.60 0.00 0.00 -1.01 0.00 0.00 64.21 60.19 2b4c n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2b4c n GLY 157 N 0.46 1.72 0.31 0.23 0.00 0.22 -4.99 105.19 103.13 2b4c n GLY 157 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 2b4c n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b4c h ALA 158 N 0.00 1.17 -2.55 4.61 0.00 -1.07 -3.38 119.26 118.04 2b4c h ALA 158 Ca 0.00 -0.21 -0.72 0.00 0.00 0.00 0.00 54.91 53.97 2b4c h ALA 158 Cb 0.00 -0.23 -0.23 0.00 0.00 0.00 0.00 17.79 17.33 2b4c h ALA 158 CO 0.00 0.57 -0.42 -1.17 0.00 0.00 0.00 179.25 178.23 2b4c s LEU 159 N -9.36 5.21 0.00 0.00 2.96 -1.02 -4.86 118.68 111.61 2b4c s LEU 159 Ca -0.10 -1.18 0.00 0.00 -0.22 0.00 0.00 54.13 52.63 2b4c s LEU 159 Cb 0.15 -2.11 0.00 0.00 0.50 0.00 0.00 46.19 44.73 2b4c s LEU 159 CO 0.81 -0.52 0.00 0.35 -1.32 0.00 0.00 176.35 175.67 2b4c n THR 160 N 5.10 0.00 -2.66 3.68 -2.24 -1.26 -4.06 114.28 112.84 2b4c n THR 160 Ca -0.12 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 2b4c n THR 160 Cb 0.45 -0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 67.92 2b4c n THR 160 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2b4c s SER 161 N -2.76 7.36 0.00 3.42 1.04 -1.26 -3.30 113.70 118.20 2b4c s SER 161 Ca 0.00 1.80 0.00 0.00 0.48 0.00 0.00 55.95 58.23 2b4c s SER 161 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2b4c s SER 161 CO 0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2b4c n GLY 162 N 2.65 1.07 3.72 7.32 0.00 -1.26 -4.77 105.19 113.91 2b4c n GLY 162 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2b4c n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b4c s VAL 163 N -2.69 4.48 -0.15 1.61 1.01 -1.21 -2.51 120.40 120.95 2b4c s VAL 163 Ca 0.00 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 63.82 2b4c s VAL 163 Cb 0.00 -4.18 0.04 0.00 0.00 0.00 0.00 36.38 32.24 2b4c s VAL 163 CO 0.00 0.18 -0.05 -1.00 0.00 0.00 0.00 175.10 174.23 2b4c s HIS 164 N 0.77 1.57 -0.29 5.22 3.76 0.14 -4.98 115.29 121.49 2b4c s HIS 164 Ca 0.53 -0.95 -0.03 0.00 -0.15 0.00 0.00 55.06 54.46 2b4c s HIS 164 Cb -0.25 -1.26 0.03 0.00 1.11 0.00 0.00 32.58 32.22 2b4c s HIS 164 CO 0.29 -0.58 0.01 0.95 -0.85 0.00 0.00 174.74 174.56 2b4c s THR 165 N 1.68 3.22 0.32 1.30 -4.23 -1.26 -0.84 115.64 115.82 2b4c s THR 165 Ca 0.02 -1.12 -0.27 0.00 -1.18 0.00 0.00 61.69 59.13 2b4c s THR 165 Cb -0.15 -2.75 -0.09 0.00 1.34 0.00 0.00 72.50 70.85 2b4c s THR 165 CO -0.08 0.01 1.02 -0.36 -0.54 0.00 0.00 174.62 174.67 2b4c s PHE 166 N 1.34 3.59 0.38 3.99 0.08 -1.00 -5.01 117.98 121.34 2b4c s PHE 166 Ca -0.02 1.74 -0.27 0.00 0.12 0.00 0.00 56.93 58.50 2b4c s PHE 166 Cb -0.18 -3.10 -0.09 0.00 -0.57 0.00 0.00 43.02 39.07 2b4c s PHE 166 CO -0.01 -0.22 1.35 -1.25 -0.10 0.00 0.00 175.22 174.99 2b4c s PRO 167 N -1.83 4.07 0.50 0.24 0.04 -1.26 -4.40 135.00 132.36 2b4c s PRO 167 Ca 0.49 2.27 -0.22 0.00 0.04 0.00 0.00 61.00 63.57 2b4c s PRO 167 Cb -0.25 -2.87 -0.06 0.00 0.04 0.00 0.00 34.50 31.36 2b4c s PRO 167 CO 0.32 -0.45 1.24 0.00 0.04 0.00 0.00 177.00 178.15 2b4c s ALA 168 N -1.20 2.89 -0.00 8.56 0.00 -1.26 -4.88 121.76 125.86 2b4c s ALA 168 Ca 0.54 1.09 0.06 0.00 0.00 0.00 0.00 51.96 53.65 2b4c s ALA 168 Cb -0.40 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.24 2b4c s ALA 168 CO 0.53 -0.96 -0.20 0.14 0.00 0.00 0.00 175.76 175.27 2b4c s VAL 169 N -1.46 1.58 -0.04 0.00 -7.23 -1.02 -4.92 120.40 107.31 2b4c s VAL 169 Ca 0.68 -0.93 -0.30 0.00 -1.81 0.00 0.00 61.98 59.62 2b4c s VAL 169 Cb -0.33 -1.33 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 2b4c s VAL 169 CO 0.39 0.39 1.02 -0.22 -0.31 0.00 0.00 175.10 176.37 2b4c s LEU 170 N -0.63 4.31 0.70 1.32 2.96 -1.26 -2.73 118.68 123.35 2b4c s LEU 170 Ca 0.08 1.64 -0.07 0.00 -0.22 0.00 0.00 54.13 55.56 2b4c s LEU 170 Cb -0.08 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 43.10 2b4c s LEU 170 CO -0.00 -0.38 1.02 -1.10 -1.32 0.00 0.00 176.35 174.57 2b4c s GLN 171 N 1.52 2.25 0.00 1.98 -0.21 0.57 -4.95 119.66 120.82 2b4c s GLN 171 Ca 0.51 -0.21 0.17 0.00 0.02 0.00 0.00 55.36 55.85 2b4c s GLN 171 Cb -0.21 -2.16 0.98 0.00 1.00 0.00 0.00 33.01 32.62 2b4c s GLN 171 CO 0.23 -1.21 1.46 -1.13 -2.12 0.00 0.00 175.29 172.52 2b4c n SER 172 N -2.92 0.00 0.00 5.90 3.41 -1.26 -1.84 113.62 116.92 2b4c n SER 172 Ca 0.08 -0.36 0.10 0.00 -0.26 0.00 0.00 58.87 58.43 2b4c n SER 172 Cb 0.60 -0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.40 2b4c n SER 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2b4c n SER 173 N -1.09 0.79 0.00 4.04 3.41 -1.26 -4.96 113.62 114.55 2b4c n SER 173 Ca 0.12 -0.72 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 2b4c n SER 173 Cb 0.08 1.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 2b4c n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b4c n GLY 174 N 1.46 0.88 3.36 5.00 0.00 -0.76 -5.09 105.19 110.04 2b4c n GLY 174 Ca 0.03 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 2b4c n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b4c s LEU 175 N 0.00 2.46 0.30 0.99 1.43 -1.26 -4.92 118.68 117.68 2b4c s LEU 175 Ca 0.00 -0.89 -0.01 0.00 -1.03 0.00 0.00 54.13 52.20 2b4c s LEU 175 Cb 0.00 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 2b4c s LEU 175 CO 0.00 -0.01 0.52 -0.31 0.23 0.00 0.00 176.35 176.78 2b4c s TYR 176 N -2.07 3.49 -0.24 0.29 2.02 -0.27 -0.32 117.35 120.25 2b4c s TYR 176 Ca 0.18 0.43 -0.20 0.00 -0.37 0.00 0.00 57.07 57.11 2b4c s TYR 176 Cb -0.06 -1.94 0.07 0.00 -0.40 0.00 0.00 41.96 39.62 2b4c s TYR 176 CO 0.08 0.19 0.63 -1.12 -1.57 0.00 0.00 175.55 173.76 2b4c s SER 177 N -3.61 -0.72 0.16 2.29 0.01 -1.11 -2.50 113.70 108.23 2b4c s SER 177 Ca 0.41 1.31 -0.02 0.00 1.31 0.00 0.00 55.95 58.96 2b4c s SER 177 Cb -0.10 1.29 -0.04 0.00 0.21 0.00 0.00 66.02 67.38 2b4c s SER 177 CO 0.33 -0.22 0.12 -1.48 0.41 0.00 0.00 173.24 172.39 2b4c s LEU 178 N 0.71 1.42 -0.01 2.44 0.05 -0.34 -2.43 118.68 120.53 2b4c s LEU 178 Ca -0.03 -1.24 0.01 0.00 0.05 0.00 0.00 54.13 52.91 2b4c s LEU 178 Cb -0.05 0.45 0.01 0.00 -2.05 0.00 0.00 46.19 44.55 2b4c s LEU 178 CO -0.05 -0.80 -0.02 -0.44 -0.55 0.00 0.00 176.35 174.49 2b4c s SER 179 N -3.08 0.32 -0.16 1.48 0.01 -1.26 -0.40 113.70 110.61 2b4c s SER 179 Ca 0.29 -0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.52 2b4c s SER 179 Cb 0.07 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.22 2b4c s SER 179 CO 0.06 -0.00 -0.16 -0.55 0.41 0.00 0.00 173.24 172.99 2b4c s SER 180 N 0.20 3.54 0.02 2.44 0.15 -0.39 -2.38 113.70 117.28 2b4c s SER 180 Ca -0.02 -0.50 0.05 0.00 0.70 0.00 0.00 55.95 56.18 2b4c s SER 180 Cb -0.04 -1.54 -0.02 0.00 -1.71 0.00 0.00 66.02 62.71 2b4c s SER 180 CO -0.01 0.07 -0.15 0.68 1.20 0.00 0.00 173.24 175.04 2b4c s VAL 181 N 0.87 1.15 -0.02 4.45 -7.23 -0.02 -0.08 120.40 119.54 2b4c s VAL 181 Ca -0.04 -0.83 0.02 0.00 -1.81 0.00 0.00 61.98 59.32 2b4c s VAL 181 Cb -0.15 -1.00 -0.00 0.00 0.56 0.00 0.00 36.38 35.79 2b4c s VAL 181 CO -0.01 0.16 -0.08 0.54 -0.31 0.00 0.00 175.10 175.40 2b4c s VAL 182 N -0.60 0.63 -0.25 1.32 0.11 -0.62 0.28 120.40 121.26 2b4c s VAL 182 Ca 0.04 -0.31 -0.14 0.00 -2.93 0.00 0.00 61.98 58.65 2b4c s VAL 182 Cb -0.07 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 2b4c s VAL 182 CO 0.00 0.19 0.31 0.42 -3.33 0.00 0.00 175.10 172.70 2b4c s THR 183 N 0.05 5.24 0.06 5.04 -4.23 -1.05 -3.13 115.64 117.61 2b4c s THR 183 Ca -0.00 0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 2b4c s THR 183 Cb -0.06 -3.64 -0.03 0.00 1.34 0.00 0.00 72.50 70.10 2b4c s THR 183 CO -0.00 0.23 -0.05 0.68 -0.54 0.00 0.00 174.62 174.94 2b4c s VAL 184 N 1.65 0.37 0.35 2.29 -7.23 -0.39 -4.74 120.40 112.72 2b4c s VAL 184 Ca 0.13 -1.59 -0.25 0.00 -1.81 0.00 0.00 61.98 58.46 2b4c s VAL 184 Cb -0.15 -1.22 -0.13 0.00 0.56 0.00 0.00 36.38 35.44 2b4c s VAL 184 CO 0.09 -0.79 0.83 -2.65 -0.31 0.00 0.00 175.10 172.26 2b4c n PRO 185 N 0.52 1.00 0.09 4.82 -0.02 -1.26 0.66 135.00 140.79 2b4c n PRO 185 Ca -0.16 0.35 -0.06 0.00 -2.02 0.00 0.00 63.50 61.61 2b4c n PRO 185 Cb 0.59 -1.72 0.09 0.00 -0.02 0.00 0.00 33.50 32.44 2b4c n PRO 185 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2b4c h SER 186 N 1.43 0.24 1.36 2.55 0.02 -1.07 -3.12 113.55 114.97 2b4c h SER 186 Ca -0.40 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.39 2b4c h SER 186 Cb 1.37 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.83 2b4c h SER 186 CO 0.57 0.85 -0.02 0.77 -1.14 0.00 0.00 176.83 177.86 2b4c h SER 187 N 0.14 0.00 0.39 3.07 4.64 -1.91 -2.99 113.55 116.89 2b4c h SER 187 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2b4c h SER 187 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2b4c h SER 187 CO 0.10 0.02 -0.12 -1.54 -0.87 0.00 0.00 176.83 174.42 2b4c n SER 188 N -3.11 0.47 -0.14 4.97 3.41 -1.18 -4.06 113.62 113.98 2b4c n SER 188 Ca 0.02 -0.53 0.09 0.00 -0.26 0.00 0.00 58.87 58.19 2b4c n SER 188 Cb 0.40 -0.07 0.41 0.00 -0.26 0.00 0.00 64.21 64.69 2b4c n SER 188 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2b4c h LEU 189 N 0.55 0.54 0.00 1.04 3.38 -1.61 -1.42 115.31 117.79 2b4c h LEU 189 Ca 0.00 0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 2b4c h LEU 189 Cb 0.37 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 2b4c h LEU 189 CO 0.00 0.34 -1.73 0.61 0.09 0.00 0.00 178.44 177.75 2b4c n GLY 190 N -1.47 -1.00 0.86 0.83 0.00 -1.26 -4.06 105.19 99.10 2b4c n GLY 190 Ca 0.10 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.13 2b4c n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2b4c n THR 191 N -3.04 0.78 -3.67 2.61 -2.24 -1.04 -4.84 114.28 102.83 2b4c n THR 191 Ca -0.17 -0.58 -0.12 0.00 -2.27 0.00 0.00 64.05 60.90 2b4c n THR 191 Cb 1.05 0.09 -0.08 0.00 -2.10 0.00 0.00 70.33 69.29 2b4c n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2b4c s GLN 192 N -1.60 0.64 -0.21 -0.78 2.00 -0.56 -5.05 119.66 114.10 2b4c s GLN 192 Ca 0.27 0.90 -0.09 0.00 -2.00 0.00 0.00 55.36 54.44 2b4c s GLN 192 Cb 0.16 0.24 -0.04 0.00 0.80 0.00 0.00 33.01 34.16 2b4c s GLN 192 CO 0.15 -0.11 0.11 0.95 -0.50 0.00 0.00 175.29 175.89 2b4c s THR 193 N 0.76 5.00 -0.20 -0.34 -4.23 -1.26 -4.69 115.64 110.68 2b4c s THR 193 Ca -0.04 0.05 -0.07 0.00 -1.18 0.00 0.00 61.69 60.46 2b4c s THR 193 Cb -0.05 -3.30 -0.04 0.00 1.34 0.00 0.00 72.50 70.46 2b4c s THR 193 CO -0.06 0.40 0.05 -0.31 -0.54 0.00 0.00 174.62 174.16 2b4c s TYR 194 N 0.77 3.16 -0.04 3.99 2.02 -1.26 -4.96 117.35 121.02 2b4c s TYR 194 Ca 0.06 -0.12 0.01 0.00 -0.37 0.00 0.00 57.07 56.65 2b4c s TYR 194 Cb -0.13 -2.10 0.02 0.00 -0.40 0.00 0.00 41.96 39.35 2b4c s TYR 194 CO 0.02 -0.02 -0.06 0.42 -1.57 0.00 0.00 175.55 174.34 2b4c s ILE 195 N 0.71 0.65 -0.09 2.71 1.09 -1.26 -1.12 121.20 123.89 2b4c s ILE 195 Ca 0.02 -0.20 -0.10 0.00 -1.10 0.00 0.00 60.65 59.27 2b4c s ILE 195 Cb -0.14 -0.65 -0.05 0.00 -1.06 0.00 0.00 42.46 40.57 2b4c s ILE 195 CO 0.02 0.25 0.24 0.00 -0.10 0.00 0.00 174.94 175.34 2b4c s ASN 197 N -0.86 5.44 -0.20 0.00 -0.87 0.14 -2.20 114.94 116.39 2b4c s ASN 197 Ca 0.18 -2.16 -0.24 0.00 -1.57 0.00 0.00 52.86 49.06 2b4c s ASN 197 Cb -0.14 -1.90 -0.01 0.00 -0.02 0.00 0.00 41.25 39.18 2b4c s ASN 197 CO 0.07 -0.56 0.77 -0.69 -2.57 0.00 0.00 177.10 174.12 2b4c s VAL 198 N 0.96 4.91 -0.08 1.60 1.01 0.05 -2.39 120.40 126.46 2b4c s VAL 198 Ca 0.09 1.49 0.04 0.00 0.00 0.00 0.00 61.98 63.60 2b4c s VAL 198 Cb -0.23 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 2b4c s VAL 198 CO -0.03 0.02 -0.20 0.21 0.00 0.00 0.00 175.10 175.10 2b4c s ASN 199 N 1.23 3.45 -0.34 3.32 3.04 0.30 -0.64 114.94 125.31 2b4c s ASN 199 Ca 0.35 -0.43 -0.01 0.00 0.04 0.00 0.00 52.86 52.81 2b4c s ASN 199 Cb -0.16 -1.14 0.12 0.00 -1.54 0.00 0.00 41.25 38.54 2b4c s ASN 199 CO 0.10 0.22 0.17 -2.28 -3.04 0.00 0.00 177.10 172.28 2b4c s HIS 200 N -0.03 0.88 0.35 0.43 5.65 0.45 -1.06 115.29 121.97 2b4c s HIS 200 Ca -0.06 -1.50 0.05 0.00 0.25 0.00 0.00 55.06 53.79 2b4c s HIS 200 Cb -0.15 -1.14 0.65 0.00 -1.18 0.00 0.00 32.58 30.77 2b4c s HIS 200 CO 0.05 -0.83 1.90 0.87 -0.65 0.00 0.00 174.74 176.08 2b4c h LYS 201 N 7.56 0.52 -0.87 2.88 1.79 -1.80 -0.89 116.57 125.75 2b4c h LYS 201 Ca -0.06 -0.10 0.11 0.00 -2.18 0.00 0.00 60.65 58.43 2b4c h LYS 201 Cb 0.98 -0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 31.49 2b4c h LYS 201 CO 0.37 0.52 0.56 -1.35 -1.08 0.00 0.00 179.45 178.47 2b4c h PRO 202 N 0.50 0.77 -0.19 3.15 0.11 -1.85 -1.87 132.00 132.62 2b4c h PRO 202 Ca 0.11 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2b4c h PRO 202 Cb 0.27 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.21 2b4c h PRO 202 CO 0.00 0.51 0.00 -1.13 -0.21 0.00 0.00 178.00 177.17 2b4c n SER 203 N -4.54 2.71 -3.51 -2.05 3.41 -1.19 -4.81 113.62 103.65 2b4c n SER 203 Ca 0.15 -1.79 -0.21 0.00 -0.26 0.00 0.00 58.87 56.76 2b4c n SER 203 Cb 0.36 -0.12 0.08 0.00 -0.26 0.00 0.00 64.21 64.28 2b4c n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2b4c n ASN 204 N 0.95 -4.45 -4.28 4.04 3.02 -0.70 -4.95 115.26 108.88 2b4c n ASN 204 Ca 0.12 -0.57 -0.30 0.00 -0.03 0.00 0.00 54.58 53.80 2b4c n ASN 204 Cb 0.44 -5.05 -0.16 0.00 -0.61 0.00 0.00 39.78 34.40 2b4c n ASN 204 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2b4c s THR 205 N -3.34 1.93 -0.08 3.41 2.01 -0.39 -5.01 115.64 114.17 2b4c s THR 205 Ca 0.33 -1.05 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 2b4c s THR 205 Cb -0.14 -1.60 0.04 0.00 0.01 0.00 0.00 72.50 70.81 2b4c s THR 205 CO 0.73 0.55 0.11 -0.75 -0.69 0.00 0.00 174.62 174.57 2b4c s LYS 206 N -0.57 -0.00 -0.05 4.92 2.20 -1.26 -0.41 119.74 124.57 2b4c s LYS 206 Ca 0.09 0.38 0.04 0.00 -0.36 0.00 0.00 55.97 56.13 2b4c s LYS 206 Cb -0.09 -0.63 -0.02 0.00 -1.51 0.00 0.00 37.83 35.58 2b4c s LYS 206 CO -0.01 -0.38 -0.17 0.08 -0.36 0.00 0.00 175.35 174.51 2b4c s VAL 207 N 2.22 2.82 -0.28 4.02 1.01 0.19 -4.98 120.40 125.41 2b4c s VAL 207 Ca 0.04 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2b4c s VAL 207 Cb -0.13 -2.09 0.06 0.00 0.00 0.00 0.00 36.38 34.23 2b4c s VAL 207 CO -0.05 0.58 -0.06 -1.81 0.00 0.00 0.00 175.10 173.76 2b4c s ASP 208 N -0.63 4.62 -0.19 3.32 1.01 -1.26 -0.77 116.67 122.77 2b4c s ASP 208 Ca 0.09 -1.46 -0.03 0.00 0.71 0.00 0.00 52.55 51.87 2b4c s ASP 208 Cb -0.11 -1.61 -0.01 0.00 1.01 0.00 0.00 42.92 42.20 2b4c s ASP 208 CO 0.01 -0.24 -0.08 -0.75 0.21 0.00 0.00 175.17 174.32 2b4c s LYS 209 N 1.12 3.38 -0.30 8.23 2.47 -0.93 -4.97 119.74 128.73 2b4c s LYS 209 Ca -0.06 -0.64 -0.22 0.00 -1.56 0.00 0.00 55.97 53.49 2b4c s LYS 209 Cb -0.20 -2.87 -0.01 0.00 -1.46 0.00 0.00 37.83 33.29 2b4c s LYS 209 CO -0.04 -0.05 0.70 0.21 0.16 0.00 0.00 175.35 176.33 2b4c s LYS 210 N 1.07 3.94 -0.16 4.03 2.20 -1.26 -1.70 119.74 127.86 2b4c s LYS 210 Ca 0.00 0.45 -0.17 0.00 -0.36 0.00 0.00 55.97 55.89 2b4c s LYS 210 Cb -0.15 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.41 2b4c s LYS 210 CO -0.01 -0.61 0.45 0.14 -0.36 0.00 0.00 175.35 174.96 2b4c s VAL 211 N 2.76 5.18 0.03 4.02 -7.23 -0.27 -4.99 120.40 119.90 2b4c s VAL 211 Ca 0.29 0.86 -0.10 0.00 -1.81 0.00 0.00 61.98 61.22 2b4c s VAL 211 Cb -0.15 -3.79 0.01 0.00 0.56 0.00 0.00 36.38 33.01 2b4c s VAL 211 CO 0.12 0.28 0.21 -1.83 -0.31 0.00 0.00 175.10 173.57 2b4c s GLU 212 N 0.96 0.67 0.67 4.82 -1.05 -1.26 -4.30 118.70 119.21 2b4c s GLU 212 Ca 0.23 -0.54 -0.17 0.00 -0.15 0.00 0.00 54.97 54.34 2b4c s GLU 212 Cb -0.15 0.28 -0.08 0.00 -0.44 0.00 0.00 34.13 33.74 2b4c s GLU 212 CO 0.09 -0.19 0.28 -2.30 0.95 0.00 0.00 175.26 174.09 2b4c n PRO 213 N 0.85 0.26 -0.55 -4.83 -0.02 -1.26 -4.68 135.00 124.76 2b4c n PRO 213 Ca -0.20 0.11 -0.28 0.00 -2.02 0.00 0.00 63.50 61.12 2b4c n PRO 213 Cb 0.58 -1.56 0.26 0.00 -0.02 0.00 0.00 33.50 32.76 2b4c n PRO 213 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2b4c s LYS 214 N -2.18 -1.19 0.05 -0.52 3.01 -1.26 -4.97 119.74 112.68 2b4c s LYS 214 Ca 0.62 0.72 -0.21 0.00 -1.01 0.00 0.00 55.97 56.09 2b4c s LYS 214 Cb -0.39 -1.53 -0.13 0.00 -1.01 0.00 0.00 37.83 34.77 2b4c s LYS 214 CO 0.61 -3.88 1.44 0.77 0.51 0.00 0.00 175.35 174.80 2b4c h SER 215 N -2.73 0.27 0.00 2.83 0.02 -2.00 -3.53 113.55 108.41 2b4c h SER 215 Ca -0.61 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 59.98 2b4c h SER 215 Cb 1.34 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2b4c h SER 215 CO 0.49 0.56 0.00 0.00 -1.14 0.00 0.00 176.83 176.75