#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r2l h TYR 24 N 0.00 0.83 0.00 -1.77 3.20 -1.98 -1.98 116.97 115.27 2r2l h TYR 24 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2r2l h TYR 24 Cb 0.00 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.03 2r2l h TYR 24 CO 0.00 0.27 0.00 0.77 -1.64 0.00 0.00 178.16 177.56 2r2l h SER 25 N 0.72 0.00 -0.02 -2.11 0.02 -1.95 -3.08 113.55 107.14 2r2l h SER 25 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 2r2l h SER 25 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2r2l h SER 25 CO -0.31 0.00 -0.34 0.18 -1.14 0.00 0.00 176.83 175.22 2r2l n LEU 26 N -2.68 2.13 -4.77 5.07 4.32 -0.76 -4.91 117.00 115.40 2r2l n LEU 26 Ca 0.02 -0.81 -0.38 0.00 -0.02 0.00 0.00 56.01 54.81 2r2l n LEU 26 Cb 0.28 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.08 2r2l n LEU 26 CO 0.24 0.39 0.91 -0.13 -1.22 0.00 0.00 177.39 177.58 2r2l s ARG 27 N -2.21 3.83 0.22 3.23 0.52 -1.13 -4.94 118.95 118.47 2r2l s ARG 27 Ca 0.19 2.01 -0.09 0.00 -0.52 0.00 0.00 55.73 57.32 2r2l s ARG 27 Cb 0.17 -2.59 0.33 0.00 0.52 0.00 0.00 34.95 33.38 2r2l s ARG 27 CO 0.47 -0.56 1.68 -1.35 0.02 0.00 0.00 175.30 175.56 2r2l h PRO 28 N 2.36 0.20 0.00 3.54 0.11 -1.94 -0.14 132.00 136.13 2r2l h PRO 28 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2r2l h PRO 28 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2r2l h PRO 28 CO 0.61 0.13 0.00 -0.85 -0.21 0.00 0.00 178.00 177.68 2r2l n GLU 29 N -5.19 0.18 0.16 1.05 0.00 -1.26 -2.80 120.64 112.78 2r2l n GLU 29 Ca 0.10 0.16 0.03 0.00 0.00 0.00 0.00 57.16 57.46 2r2l n GLU 29 Cb 0.37 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.51 2r2l n GLU 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2r2l h HIS 30 N 0.00 0.00 0.00 -1.84 2.76 -1.32 -2.86 115.15 111.89 2r2l h HIS 30 Ca 0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2r2l h HIS 30 Cb 0.09 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 2r2l h HIS 30 CO 0.00 0.48 -0.01 0.00 -1.30 0.00 0.00 177.93 177.10 2r2l h ALA 31 N 1.52 1.07 0.00 5.26 0.00 -1.68 -0.42 119.26 125.01 2r2l h ALA 31 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2r2l h ALA 31 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2r2l h ALA 31 CO 0.06 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.86 2r2l n ARG 32 N -3.19 0.04 0.00 0.00 1.74 -1.08 -2.47 116.66 111.70 2r2l n ARG 32 Ca -0.02 0.31 0.12 0.00 -0.77 0.00 0.00 57.85 57.50 2r2l n ARG 32 Cb 0.12 -1.57 0.26 0.00 -1.02 0.00 0.00 32.46 30.25 2r2l n ARG 32 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2r2l n GLU 33 N -1.64 1.32 -1.60 5.56 -0.58 -0.17 -4.95 120.64 118.57 2r2l n GLU 33 Ca 0.03 -0.93 -0.37 0.00 -0.42 0.00 0.00 57.16 55.46 2r2l n GLU 33 Cb 0.16 -1.48 0.06 0.00 -0.57 0.00 0.00 31.44 29.61 2r2l n GLU 33 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2r2l n ARG 34 N -0.03 0.85 -1.69 3.49 5.12 -1.03 -4.36 116.66 119.02 2r2l n ARG 34 Ca 0.13 0.34 -0.42 0.00 -1.93 0.00 0.00 57.85 55.96 2r2l n ARG 34 Cb 0.42 -2.22 -0.00 0.00 -1.16 0.00 0.00 32.46 29.50 2r2l n ARG 34 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2r2l n LEU 35 N -1.06 3.48 -4.09 0.55 7.94 -1.26 -5.00 117.00 117.57 2r2l n LEU 35 Ca 0.14 1.17 -0.33 0.00 -1.11 0.00 0.00 56.01 55.88 2r2l n LEU 35 Cb 0.48 -1.47 -0.14 0.00 0.53 0.00 0.00 43.42 42.82 2r2l n LEU 35 CO 0.48 -0.65 -0.36 -1.10 -1.11 0.00 0.00 177.39 174.65 2r2l s GLN 36 N -1.95 2.06 0.00 1.96 -0.21 -1.26 -4.99 119.66 115.28 2r2l s GLN 36 Ca 0.57 -1.52 0.24 0.00 0.02 0.00 0.00 55.36 54.67 2r2l s GLN 36 Cb -0.56 -3.14 1.02 0.00 1.00 0.00 0.00 33.01 31.33 2r2l s GLN 36 CO 0.61 -0.74 1.71 -0.40 -2.12 0.00 0.00 175.29 174.34 2r2l n ASP 37 N 4.46 1.15 -1.66 5.90 5.68 -1.26 -4.91 116.55 125.91 2r2l n ASP 37 Ca -0.08 -1.52 -0.19 0.00 -0.50 0.00 0.00 54.79 52.51 2r2l n ASP 37 Cb 0.42 -0.05 -0.07 0.00 -1.14 0.00 0.00 41.12 40.29 2r2l n ASP 37 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2r2l n ASP 38 N -0.05 -4.95 -1.28 -1.12 8.00 -1.26 -1.33 116.55 114.54 2r2l n ASP 38 Ca 0.17 0.40 -0.14 0.00 0.71 0.00 0.00 54.79 55.93 2r2l n ASP 38 Cb 0.27 -4.39 -0.04 0.00 -0.02 0.00 0.00 41.12 36.94 2r2l n ASP 38 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2r2l n SER 39 N -1.23 -4.62 -3.90 -2.24 7.64 -1.26 -4.97 113.62 103.05 2r2l n SER 39 Ca -0.19 0.23 -0.30 0.00 1.01 0.00 0.00 58.87 59.62 2r2l n SER 39 Cb 0.62 -3.52 -0.15 0.00 -1.01 0.00 0.00 64.21 60.16 2r2l n SER 39 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2r2l s VAL 40 N -2.60 1.85 0.12 0.44 1.01 -0.45 -5.11 120.40 115.67 2r2l s VAL 40 Ca 0.00 -2.28 -0.24 0.00 0.00 0.00 0.00 61.98 59.46 2r2l s VAL 40 Cb 0.00 -2.35 -0.07 0.00 0.00 0.00 0.00 36.38 33.96 2r2l s VAL 40 CO 0.00 -0.69 0.74 -1.61 0.00 0.00 0.00 175.10 173.54 2r2l s GLU 41 N 0.84 4.50 0.17 2.72 2.02 -1.26 -4.93 118.70 122.75 2r2l s GLU 41 Ca 0.12 1.07 -0.03 0.00 0.02 0.00 0.00 54.97 56.15 2r2l s GLU 41 Cb -0.20 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.71 2r2l s GLU 41 CO -0.10 0.50 0.14 0.95 0.02 0.00 0.00 175.26 176.76 2r2l s THR 42 N -0.83 0.05 0.29 3.63 -4.23 -1.26 -5.02 115.64 108.28 2r2l s THR 42 Ca 0.35 -1.85 0.04 0.00 -1.18 0.00 0.00 61.69 59.06 2r2l s THR 42 Cb -0.22 -2.20 0.28 0.00 1.34 0.00 0.00 72.50 71.71 2r2l s THR 42 CO 0.24 -0.24 1.73 0.58 -0.54 0.00 0.00 174.62 176.39 2r2l h VAL 43 N 2.70 0.59 -0.12 2.29 2.07 -1.99 -0.96 116.25 120.83 2r2l h VAL 43 Ca -0.34 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 66.99 2r2l h VAL 43 Cb 1.22 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2r2l h VAL 43 CO 0.54 0.10 0.06 0.74 0.02 0.00 0.00 177.57 179.03 2r2l h THR 44 N 0.56 1.00 -0.25 2.57 2.02 -1.96 -1.16 112.91 115.69 2r2l h THR 44 Ca 0.56 -0.04 -0.15 0.00 0.77 0.00 0.00 66.41 67.54 2r2l h THR 44 Cb 0.97 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 2r2l h THR 44 CO -0.45 0.02 -0.46 0.77 0.37 0.00 0.00 175.52 175.77 2r2l h SER 45 N 0.13 0.72 -0.37 4.18 4.64 -1.73 -2.24 113.55 118.87 2r2l h SER 45 Ca 0.05 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2r2l h SER 45 Cb 0.01 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 2r2l h SER 45 CO -0.03 1.07 0.24 0.40 -0.87 0.00 0.00 176.83 177.64 2r2l h ILE 46 N 0.53 1.10 -0.04 0.95 2.04 -1.05 -0.39 117.51 120.66 2r2l h ILE 46 Ca 0.03 -0.20 -0.13 0.00 1.00 0.00 0.00 64.86 65.56 2r2l h ILE 46 Cb 1.00 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2r2l h ILE 46 CO 0.09 0.10 -0.59 -0.33 0.00 0.00 0.00 178.15 177.43 2r2l h GLU 47 N 0.50 0.12 -0.24 2.37 4.39 -1.17 -2.14 114.58 118.42 2r2l h GLU 47 Ca 0.14 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 2r2l h GLU 47 Cb -0.04 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2r2l h GLU 47 CO -0.03 0.67 -0.07 0.37 -1.16 0.00 0.00 179.01 178.79 2r2l h GLN 48 N 0.09 0.47 -0.95 2.33 5.75 -1.15 -2.74 115.11 118.91 2r2l h GLN 48 Ca -0.00 -0.19 0.03 0.00 -0.15 0.00 0.00 58.65 58.34 2r2l h GLN 48 Cb 1.06 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.54 2r2l h GLN 48 CO 0.08 0.71 0.62 0.00 -2.65 0.00 0.00 178.83 177.59 2r2l h ALA 49 N 0.75 1.25 -0.61 3.38 0.00 -0.96 -0.37 119.26 122.69 2r2l h ALA 49 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2r2l h ALA 49 Cb 0.54 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2r2l h ALA 49 CO 0.03 0.51 0.39 0.87 0.00 0.00 0.00 179.25 181.04 2r2l h LYS 50 N 1.21 0.81 -0.39 0.00 1.57 -1.29 -0.16 116.57 118.32 2r2l h LYS 50 Ca 0.37 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 59.04 2r2l h LYS 50 Cb -0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 2r2l h LYS 50 CO -0.11 0.56 0.02 0.28 -0.57 0.00 0.00 179.45 179.62 2r2l h VAL 51 N 0.82 1.25 -0.63 0.50 2.07 -1.04 -2.29 116.25 116.94 2r2l h VAL 51 Ca 0.22 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 2r2l h VAL 51 Cb -0.06 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2r2l h VAL 51 CO -0.04 0.32 0.33 -0.33 0.02 0.00 0.00 177.57 177.87 2r2l h GLU 52 N 0.50 0.89 -0.60 1.57 5.08 -0.82 0.11 114.58 121.32 2r2l h GLU 52 Ca 0.11 -0.11 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2r2l h GLU 52 Cb 0.44 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 2r2l h GLU 52 CO 0.02 0.69 0.29 1.49 -1.00 0.00 0.00 179.01 180.49 2r2l h GLU 53 N 0.86 0.52 -0.10 2.33 4.57 -0.89 0.21 114.58 122.08 2r2l h GLU 53 Ca 0.22 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.23 2r2l h GLU 53 Cb 0.07 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 2r2l h GLU 53 CO -0.03 0.34 -0.55 -0.22 -1.18 0.00 0.00 179.01 177.37 2r2l h LYS 54 N 0.53 0.29 -0.28 1.92 3.64 -0.82 -2.42 116.57 119.44 2r2l h LYS 54 Ca 0.28 -0.18 -0.19 0.00 -1.27 0.00 0.00 60.65 59.29 2r2l h LYS 54 Cb 0.24 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2r2l h LYS 54 CO -0.22 0.76 -0.57 0.82 -2.27 0.00 0.00 179.45 177.98 2r2l h ILE 55 N 0.22 1.27 -0.99 2.00 1.08 -0.25 -2.78 117.51 118.07 2r2l h ILE 55 Ca 0.00 -1.75 0.02 0.00 -0.39 0.00 0.00 64.86 62.74 2r2l h ILE 55 Cb 1.03 1.66 -0.05 0.00 -3.07 0.00 0.00 36.82 36.39 2r2l h ILE 55 CO 0.09 0.57 0.65 -0.61 -0.69 0.00 0.00 178.15 178.16 2r2l h GLN 56 N 0.66 1.28 -0.86 2.37 5.75 -0.52 -0.08 115.11 123.70 2r2l h GLN 56 Ca 0.01 -0.08 0.02 0.00 -0.15 0.00 0.00 58.65 58.45 2r2l h GLN 56 Cb 1.18 -0.29 -0.04 0.00 1.07 0.00 0.00 27.48 29.40 2r2l h GLN 56 CO 0.13 0.85 0.57 0.93 -2.65 0.00 0.00 178.83 178.65 2r2l h GLU 57 N 1.32 1.11 -0.15 1.69 5.08 -1.30 -0.06 114.58 122.27 2r2l h GLU 57 Ca 0.37 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 2r2l h GLU 57 Cb -0.12 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.87 2r2l h GLU 57 CO -0.09 0.73 0.04 0.28 -1.00 0.00 0.00 179.01 178.97 2r2l h VAL 58 N 1.14 1.20 -0.55 3.13 2.07 -1.00 -1.52 116.25 120.72 2r2l h VAL 58 Ca 0.32 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 67.27 2r2l h VAL 58 Cb -0.10 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2r2l h VAL 58 CO -0.08 0.18 0.31 -0.26 0.02 0.00 0.00 177.57 177.74 2r2l h PHE 59 N 0.05 0.57 0.00 1.57 0.05 -0.61 -2.53 116.94 116.03 2r2l h PHE 59 Ca 0.05 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.86 2r2l h PHE 59 Cb 0.25 -0.18 0.00 0.00 2.00 0.00 0.00 35.95 38.03 2r2l h PHE 59 CO 0.01 0.30 0.00 0.43 -0.18 0.00 0.00 178.31 178.87 2r2l n SER 60 N -4.82 0.73 -0.35 2.17 7.64 -0.07 -4.03 113.62 114.89 2r2l n SER 60 Ca 0.05 0.60 0.26 0.00 1.01 0.00 0.00 58.87 60.79 2r2l n SER 60 Cb 0.12 -0.78 0.51 0.00 -1.01 0.00 0.00 64.21 63.04 2r2l n SER 60 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2r2l h SER 61 N 0.00 0.47 0.16 6.43 4.64 -0.82 -0.62 113.55 123.81 2r2l h SER 61 Ca 0.00 0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 2r2l h SER 61 Cb 0.60 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2r2l h SER 61 CO 0.00 -0.12 -0.08 1.88 -0.87 0.00 0.00 176.83 177.64 2r2l h TYR 62 N 0.29 -0.20 -0.07 4.77 -1.99 -1.78 -2.44 116.97 115.56 2r2l h TYR 62 Ca 0.73 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 61.50 2r2l h TYR 62 Cb 1.80 0.06 -0.05 0.00 2.00 0.00 0.00 36.73 40.54 2r2l h TYR 62 CO -0.01 0.08 -0.26 -0.22 -0.00 0.00 0.00 178.16 177.76 2r2l h LYS 63 N -0.47 -0.35 0.00 4.88 3.64 -1.40 0.22 116.57 123.10 2r2l h LYS 63 Ca -0.02 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2r2l h LYS 63 Cb 0.37 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2r2l h LYS 63 CO 0.04 -0.23 0.00 0.74 -2.27 0.00 0.00 179.45 177.73 2r2l h PHE 64 N -0.36 0.00 -0.00 1.91 0.04 -1.39 -2.46 116.94 114.69 2r2l h PHE 64 Ca 0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.85 2r2l h PHE 64 Cb 0.48 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.63 2r2l h PHE 64 CO -0.33 0.00 -0.85 0.09 -0.60 0.00 0.00 178.31 176.62 2r2l n ASN 65 N -3.00 0.92 -3.06 2.17 5.03 -0.82 -5.02 115.26 111.48 2r2l n ASN 65 Ca -0.01 -0.96 -0.13 0.00 0.87 0.00 0.00 54.58 54.35 2r2l n ASN 65 Cb 0.18 0.98 0.06 0.00 -1.02 0.00 0.00 39.78 39.98 2r2l n ASN 65 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2r2l n HIS 66 N -1.37 -2.17 -4.14 3.10 8.25 0.71 -5.05 115.22 114.55 2r2l n HIS 66 Ca 0.04 0.77 -0.12 0.00 -0.26 0.00 0.00 57.72 58.15 2r2l n HIS 66 Cb 0.29 -4.03 -0.11 0.00 1.12 0.00 0.00 29.99 27.27 2r2l n HIS 66 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2r2l s LEU 67 N -5.20 2.42 0.01 2.41 1.43 -1.07 -5.06 118.68 113.61 2r2l s LEU 67 Ca 0.37 -0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 2r2l s LEU 67 Cb -0.05 -0.13 -0.03 0.00 0.03 0.00 0.00 46.19 46.01 2r2l s LEU 67 CO 0.66 -0.36 0.98 -0.69 0.23 0.00 0.00 176.35 177.17 2r2l s VAL 68 N -2.78 4.84 0.18 -1.59 1.01 -1.26 -4.61 120.40 116.19 2r2l s VAL 68 Ca 0.04 2.05 -0.33 0.00 0.00 0.00 0.00 61.98 63.74 2r2l s VAL 68 Cb -0.01 -4.31 -0.14 0.00 0.00 0.00 0.00 36.38 31.92 2r2l s VAL 68 CO -0.03 0.17 1.44 -2.65 0.00 0.00 0.00 175.10 174.03 2r2l n PRO 69 N 3.85 1.87 -3.75 2.72 -0.02 -1.26 -4.95 135.00 133.45 2r2l n PRO 69 Ca 0.06 0.67 -0.30 0.00 -2.02 0.00 0.00 63.50 61.91 2r2l n PRO 69 Cb 0.51 -2.36 -0.14 0.00 -0.02 0.00 0.00 33.50 31.49 2r2l n PRO 69 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2r2l s ARG 70 N 0.27 0.93 -0.66 -0.52 0.52 -1.26 -5.07 118.95 113.15 2r2l s ARG 70 Ca 0.75 -1.39 -0.25 0.00 -0.52 0.00 0.00 55.73 54.32 2r2l s ARG 70 Cb -0.73 -2.19 0.04 0.00 0.52 0.00 0.00 34.95 32.60 2r2l s ARG 70 CO 0.45 -1.03 1.11 -0.51 0.02 0.00 0.00 175.30 175.34 2r2l s LEU 71 N 1.23 3.73 -0.08 2.53 1.02 -1.26 -4.98 118.68 120.86 2r2l s LEU 71 Ca 0.12 -0.50 0.03 0.00 0.02 0.00 0.00 54.13 53.79 2r2l s LEU 71 Cb -0.19 -2.66 0.01 0.00 0.02 0.00 0.00 46.19 43.37 2r2l s LEU 71 CO -0.17 -1.56 -0.16 -0.69 0.02 0.00 0.00 176.35 173.80 2r2l s VAL 72 N 4.81 1.41 -0.35 -1.59 1.01 -1.26 -2.02 120.40 122.41 2r2l s VAL 72 Ca 0.32 -0.63 -0.27 0.00 0.00 0.00 0.00 61.98 61.39 2r2l s VAL 72 Cb -0.11 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.02 2r2l s VAL 72 CO 0.16 0.42 0.97 -0.22 0.00 0.00 0.00 175.10 176.42 2r2l s LEU 73 N 0.60 3.97 -0.82 3.92 2.96 -1.26 -4.91 118.68 123.14 2r2l s LEU 73 Ca -0.15 0.74 -0.06 0.00 -0.22 0.00 0.00 54.13 54.44 2r2l s LEU 73 Cb -0.16 -3.35 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 2r2l s LEU 73 CO 0.05 -0.86 2.00 0.00 -1.32 0.00 0.00 176.35 176.22 2r2l n GLN 74 N 6.79 1.86 -0.33 1.98 1.13 -1.26 -4.72 117.38 122.82 2r2l n GLN 74 Ca 0.09 -1.40 -0.09 0.00 -1.94 0.00 0.00 57.00 53.66 2r2l n GLN 74 Cb 0.48 -2.44 -0.06 0.00 0.11 0.00 0.00 30.24 28.33 2r2l n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2r2l h ARG 75 N 6.58 -0.10 -0.68 -1.09 3.08 -1.97 -0.12 114.38 120.08 2r2l h ARG 75 Ca 0.45 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.54 2r2l h ARG 75 Cb 0.18 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 2r2l h ARG 75 CO 1.44 -0.07 0.41 0.93 -1.07 0.00 0.00 179.97 181.61 2r2l h GLU 76 N -0.10 0.76 0.02 0.04 4.39 -1.99 0.17 114.58 117.87 2r2l h GLU 76 Ca 0.19 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 2r2l h GLU 76 Cb 0.50 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2r2l h GLU 76 CO -0.85 0.50 -0.01 0.87 -1.16 0.00 0.00 179.01 178.36 2r2l h LYS 77 N 0.79 -0.03 -0.96 2.33 1.79 -1.65 -1.65 116.57 117.19 2r2l h LYS 77 Ca 0.28 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.77 2r2l h LYS 77 Cb 0.08 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.69 2r2l h LYS 77 CO -0.13 0.01 0.64 0.45 -1.08 0.00 0.00 179.45 179.33 2r2l h HIS 78 N -0.05 1.21 0.31 -1.35 3.86 -0.61 -2.51 115.15 116.00 2r2l h HIS 78 Ca -0.00 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 2r2l h HIS 78 Cb 0.04 -0.41 0.00 0.00 1.06 0.00 0.00 27.41 28.11 2r2l h HIS 78 CO -0.07 0.76 -0.15 0.35 0.86 0.00 0.00 177.93 179.68 2r2l h PHE 79 N 1.30 -0.39 -0.81 2.45 3.57 -0.27 0.19 116.94 122.99 2r2l h PHE 79 Ca 0.35 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.89 2r2l h PHE 79 Cb -0.15 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 2r2l h PHE 79 CO -0.00 -0.24 0.53 1.25 -2.23 0.00 0.00 178.31 177.62 2r2l h HIS 80 N -0.42 0.93 0.06 0.41 2.76 -1.15 0.21 115.15 117.95 2r2l h HIS 80 Ca -0.04 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2r2l h HIS 80 Cb 0.32 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 28.97 2r2l h HIS 80 CO -0.05 0.52 -0.03 -0.92 -1.30 0.00 0.00 177.93 176.14 2r2l h TYR 81 N 0.94 -0.08 0.57 5.26 3.20 -1.17 -2.59 116.97 123.10 2r2l h TYR 81 Ca 0.33 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.17 2r2l h TYR 81 Cb 0.13 0.03 0.01 0.00 1.54 0.00 0.00 36.73 38.43 2r2l h TYR 81 CO -0.00 0.09 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.26 2r2l h LEU 82 N -0.24 -0.65 -2.21 2.82 3.38 -0.19 -1.70 115.31 116.52 2r2l h LEU 82 Ca -0.01 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.98 2r2l h LEU 82 Cb 0.21 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2r2l h LEU 82 CO 0.01 -0.33 0.19 0.07 0.09 0.00 0.00 178.44 178.47 2r2l h LYS 83 N -0.97 0.00 0.19 1.13 5.09 -0.70 -0.20 116.57 121.12 2r2l h LYS 83 Ca -0.08 0.00 -0.30 0.00 0.09 0.00 0.00 60.65 60.36 2r2l h LYS 83 Cb 0.65 0.00 0.02 0.00 0.10 0.00 0.00 32.23 33.00 2r2l h LYS 83 CO 0.13 0.00 -1.41 -0.09 -2.09 0.00 0.00 179.45 175.99 2r2l h ARG 84 N 0.00 0.41 0.00 0.07 2.43 -1.40 -3.30 114.38 112.59 2r2l h ARG 84 Ca 0.09 -0.70 -0.03 0.00 -0.81 0.00 0.00 59.98 58.53 2r2l h ARG 84 Cb 0.46 0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 30.27 2r2l h ARG 84 CO -0.00 1.34 -0.14 0.78 -1.51 0.00 0.00 179.97 180.44 2r2l h GLY 85 N 0.16 0.00 2.00 2.80 0.00 -0.22 -1.54 103.07 106.28 2r2l h GLY 85 Ca -0.27 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 2r2l h GLY 85 CO 0.19 0.00 -0.11 -2.00 0.00 0.00 0.00 176.54 174.62 2r2l h LEU 86 N 0.00 0.00 0.00 3.11 5.85 -1.17 -3.26 115.31 119.84 2r2l h LEU 86 Ca -0.00 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.46 2r2l h LEU 86 Cb 0.29 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2r2l h LEU 86 CO 0.02 0.11 -1.61 0.54 -0.34 0.00 0.00 178.44 177.16 2r2l n ARG 87 N -3.75 0.55 -3.85 1.25 5.12 -0.64 -5.05 116.66 110.29 2r2l n ARG 87 Ca -0.02 0.41 -0.09 0.00 -1.93 0.00 0.00 57.85 56.21 2r2l n ARG 87 Cb 0.21 -1.60 -0.08 0.00 -1.16 0.00 0.00 32.46 29.83 2r2l n ARG 87 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2r2l s GLN 88 N -2.47 0.80 0.07 5.56 -2.07 -0.82 -5.15 119.66 115.58 2r2l s GLN 88 Ca -0.31 -0.85 0.02 0.00 -1.82 0.00 0.00 55.36 52.41 2r2l s GLN 88 Cb 0.09 0.33 -0.03 0.00 -1.09 0.00 0.00 33.01 32.30 2r2l s GLN 88 CO 0.48 -0.25 -0.07 -0.51 -1.32 0.00 0.00 175.29 173.62 2r2l s LEU 89 N -2.61 2.40 0.86 2.60 1.43 -1.26 -4.09 118.68 118.01 2r2l s LEU 89 Ca 0.02 -0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 52.18 2r2l s LEU 89 Cb 0.03 -0.12 0.11 0.00 0.03 0.00 0.00 46.19 46.24 2r2l s LEU 89 CO -0.09 -0.35 1.14 0.42 0.23 0.00 0.00 176.35 177.70 2r2l s THR 90 N -2.67 2.22 -1.56 5.49 -4.23 -1.26 -4.90 115.64 108.73 2r2l s THR 90 Ca 0.03 0.07 0.08 0.00 -1.18 0.00 0.00 61.69 60.69 2r2l s THR 90 Cb -0.01 -2.88 0.16 0.00 1.34 0.00 0.00 72.50 71.11 2r2l s THR 90 CO -0.03 -0.09 1.08 -0.90 -0.54 0.00 0.00 174.62 174.14 2r2l n ASP 91 N -3.59 0.00 0.19 3.99 3.85 -1.26 -1.36 116.55 118.37 2r2l n ASP 91 Ca 0.07 0.07 0.14 0.00 -0.71 0.00 0.00 54.79 54.36 2r2l n ASP 91 Cb 0.59 -0.22 0.64 0.00 -1.35 0.00 0.00 41.12 40.78 2r2l n ASP 91 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2r2l h ALA 92 N 2.41 1.00 -0.65 2.12 0.00 -2.06 -1.31 119.26 120.77 2r2l h ALA 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2r2l h ALA 92 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2r2l h ALA 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 2r2l n TYR 93 N -2.53 0.93 0.27 0.00 4.02 -0.47 -4.26 117.16 115.12 2r2l n TYR 93 Ca 0.00 -0.45 0.16 0.00 -0.01 0.00 0.00 57.90 57.61 2r2l n TYR 93 Cb 0.18 -0.03 0.91 0.00 -0.02 0.00 0.00 39.34 40.38 2r2l n TYR 93 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2r2l h GLU 94 N 3.81 0.00 0.00 -0.72 5.08 -1.43 0.17 114.58 121.50 2r2l h GLU 94 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2r2l h GLU 94 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2r2l h GLU 94 CO 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 2r2l n LEU 96 N -1.46 2.63 0.10 0.00 4.77 0.60 -4.67 117.00 118.96 2r2l n LEU 96 Ca 0.06 -3.20 0.09 0.00 -0.03 0.00 0.00 56.01 52.94 2r2l n LEU 96 Cb 0.23 -0.46 0.42 0.00 -2.33 0.00 0.00 43.42 41.27 2r2l n LEU 96 CO 0.18 0.80 0.78 -0.67 -1.33 0.00 0.00 177.39 177.16 2r2l n ASP 97 N -1.28 0.43 -1.04 -1.43 2.03 -1.07 -1.29 116.55 112.90 2r2l n ASP 97 Ca 0.17 0.63 0.08 0.00 0.52 0.00 0.00 54.79 56.20 2r2l n ASP 97 Cb 0.69 -0.72 0.27 0.00 -0.72 0.00 0.00 41.12 40.64 2r2l n ASP 97 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2r2l n ALA 98 N -1.69 2.96 -2.65 -1.67 0.00 -1.26 -4.46 120.51 111.75 2r2l n ALA 98 Ca 0.01 -1.97 0.01 0.00 0.00 0.00 0.00 53.44 51.49 2r2l n ALA 98 Cb 0.15 -0.74 0.04 0.00 0.00 0.00 0.00 19.45 18.89 2r2l n ALA 98 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2r2l n SER 99 N -0.01 1.10 0.06 0.00 7.64 -0.41 -4.03 113.62 117.97 2r2l n SER 99 Ca 0.21 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 58.07 2r2l n SER 99 Cb 0.84 -0.33 0.32 0.00 -1.01 0.00 0.00 64.21 64.04 2r2l n SER 99 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2r2l h ARG 100 N 1.74 0.38 0.00 1.43 3.08 -1.23 -0.98 114.38 118.80 2r2l h ARG 100 Ca -0.21 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.72 2r2l h ARG 100 Cb 1.55 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.55 2r2l h ARG 100 CO 0.11 0.50 -0.14 -1.35 -1.07 0.00 0.00 179.97 178.03 2r2l h PRO 101 N 0.36 0.00 -0.39 0.04 0.11 -1.83 -1.19 132.00 129.09 2r2l h PRO 101 Ca 0.07 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.03 2r2l h PRO 101 Cb 0.42 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 2r2l h PRO 101 CO 0.02 0.14 -0.33 -1.49 -0.21 0.00 0.00 178.00 176.14 2r2l h TRP 102 N 0.00 1.08 -0.88 0.65 4.06 -1.51 -1.43 115.95 117.93 2r2l h TRP 102 Ca -0.00 -0.31 0.00 0.00 2.06 0.00 0.00 58.89 60.64 2r2l h TRP 102 Cb 0.31 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.20 2r2l h TRP 102 CO 0.00 1.12 0.56 -0.07 -3.56 0.00 0.00 178.44 176.49 2r2l h LEU 103 N 0.73 1.03 0.22 -4.49 3.38 -0.84 0.18 115.31 115.51 2r2l h LEU 103 Ca 0.07 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2r2l h LEU 103 Cb 0.91 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2r2l h LEU 103 CO 0.08 0.77 -0.16 0.00 0.09 0.00 0.00 178.44 179.22 2r2l h TYR 105 N -0.38 0.12 -0.56 0.00 3.20 -0.81 0.11 116.97 118.65 2r2l h TYR 105 Ca -0.01 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.88 2r2l h TYR 105 Cb 0.34 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 2r2l h TYR 105 CO -0.11 0.08 0.34 -1.49 -1.64 0.00 0.00 178.16 175.34 2r2l h TRP 106 N 0.13 0.64 0.24 -3.82 6.55 -0.59 0.63 115.95 119.72 2r2l h TRP 106 Ca 0.03 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.88 2r2l h TRP 106 Cb -0.01 -0.21 0.00 0.00 -0.86 0.00 0.00 29.16 28.08 2r2l h TRP 106 CO -0.07 0.37 -0.11 0.82 -1.05 0.00 0.00 178.44 178.39 2r2l h ILE 107 N 0.68 0.79 -0.91 1.49 2.04 -1.10 -1.65 117.51 118.85 2r2l h ILE 107 Ca 0.22 -0.79 0.07 0.00 1.00 0.00 0.00 64.86 65.36 2r2l h ILE 107 Cb 0.01 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 2r2l h ILE 107 CO -0.09 0.16 0.59 -0.07 0.00 0.00 0.00 178.15 178.74 2r2l h LEU 108 N -0.76 0.90 -0.53 1.44 3.38 -0.74 -0.82 115.31 118.17 2r2l h LEU 108 Ca -0.03 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 2r2l h LEU 108 Cb 0.50 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2r2l h LEU 108 CO 0.05 0.57 -0.40 -0.74 0.09 0.00 0.00 178.44 178.01 2r2l h HIS 109 N 1.02 0.89 -0.58 1.13 2.76 -0.88 -0.29 115.15 119.20 2r2l h HIS 109 Ca 0.39 -0.26 -0.06 0.00 -2.20 0.00 0.00 60.37 58.24 2r2l h HIS 109 Cb 0.21 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.96 2r2l h HIS 109 CO -0.00 1.02 0.14 0.77 -1.30 0.00 0.00 177.93 178.56 2r2l h SER 110 N 0.60 0.89 -0.60 3.26 0.02 -0.55 -0.17 113.55 117.00 2r2l h SER 110 Ca 0.05 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 2r2l h SER 110 Cb 0.95 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 2r2l h SER 110 CO 0.09 0.89 0.20 -0.07 -1.14 0.00 0.00 176.83 176.80 2r2l h LEU 111 N 0.84 0.86 -0.42 5.07 3.38 -1.04 -0.82 115.31 123.19 2r2l h LEU 111 Ca 0.18 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2r2l h LEU 111 Cb 0.35 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2r2l h LEU 111 CO 0.00 0.83 0.22 -0.08 0.09 0.00 0.00 178.44 179.50 2r2l h GLU 112 N 0.85 0.44 -0.38 1.13 4.81 -0.67 0.49 114.58 121.25 2r2l h GLU 112 Ca 0.20 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 2r2l h GLU 112 Cb 0.26 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2r2l h GLU 112 CO -0.01 0.29 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.48 2r2l h LEU 113 N 0.45 0.57 -0.19 1.64 3.38 -0.74 -1.78 115.31 118.63 2r2l h LEU 113 Ca 0.18 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2r2l h LEU 113 Cb 0.06 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2r2l h LEU 113 CO -0.11 0.65 0.00 0.18 0.09 0.00 0.00 178.44 179.24 2r2l n LEU 114 N -4.25 0.29 -1.66 1.67 4.77 -0.34 -2.01 117.00 115.47 2r2l n LEU 114 Ca 0.02 -0.12 -0.17 0.00 -0.03 0.00 0.00 56.01 55.71 2r2l n LEU 114 Cb 0.27 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2r2l n LEU 114 CO 0.40 0.06 -0.19 -0.67 -1.33 0.00 0.00 177.39 175.65 2r2l n ASP 115 N -0.61 -4.96 -4.77 -1.43 -0.08 -0.57 -4.99 116.55 99.14 2r2l n ASP 115 Ca 0.15 0.15 -0.38 0.00 -1.51 0.00 0.00 54.79 53.19 2r2l n ASP 115 Cb 0.11 -4.01 -0.06 0.00 2.34 0.00 0.00 41.12 39.51 2r2l n ASP 115 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2r2l s GLU 116 N -4.29 4.21 0.73 -0.67 0.41 0.06 -5.01 118.70 114.13 2r2l s GLU 116 Ca 0.00 0.54 -0.11 0.00 -0.41 0.00 0.00 54.97 54.99 2r2l s GLU 116 Cb 0.00 -3.33 0.03 0.00 -1.78 0.00 0.00 34.13 29.05 2r2l s GLU 116 CO 0.00 0.41 1.07 -1.25 -0.49 0.00 0.00 175.26 175.00 2r2l s PRO 117 N -0.23 2.61 -0.38 0.39 0.04 -1.26 -4.30 135.00 131.87 2r2l s PRO 117 Ca 0.27 0.87 -0.03 0.00 0.04 0.00 0.00 61.00 62.15 2r2l s PRO 117 Cb -0.17 -1.96 0.09 0.00 0.04 0.00 0.00 34.50 32.50 2r2l s PRO 117 CO 0.14 -1.31 0.15 0.42 0.04 0.00 0.00 177.00 176.44 2r2l s ILE 118 N -3.07 3.22 0.10 0.56 1.01 -1.26 -5.05 121.20 116.70 2r2l s ILE 118 Ca 0.59 -1.86 -0.36 0.00 0.00 0.00 0.00 60.65 59.02 2r2l s ILE 118 Cb -0.14 -3.11 -0.17 0.00 0.01 0.00 0.00 42.46 39.05 2r2l s ILE 118 CO 0.55 -0.53 1.31 -2.65 0.00 0.00 0.00 174.94 173.62 2r2l n PRO 119 N 4.60 1.15 -0.35 2.79 -0.02 -1.26 -4.62 135.00 137.28 2r2l n PRO 119 Ca -0.05 0.41 0.36 0.00 -2.02 0.00 0.00 63.50 62.21 2r2l n PRO 119 Cb 0.42 -2.04 0.74 0.00 -0.02 0.00 0.00 33.50 32.61 2r2l n PRO 119 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2r2l h GLN 120 N 4.38 0.02 -0.11 -0.52 4.20 -1.99 0.62 115.11 121.71 2r2l h GLN 120 Ca -0.47 -0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.07 2r2l h GLN 120 Cb 1.34 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.11 2r2l h GLN 120 CO 0.77 0.01 -0.67 0.97 -0.67 0.00 0.00 178.83 179.24 2r2l h ILE 121 N 0.02 1.36 -0.10 2.54 6.09 -2.00 -2.00 117.51 123.42 2r2l h ILE 121 Ca 0.60 -2.02 -0.13 0.00 -1.37 0.00 0.00 64.86 61.94 2r2l h ILE 121 Cb 2.35 2.00 0.01 0.00 0.47 0.00 0.00 36.82 41.65 2r2l h ILE 121 CO -0.03 0.61 -0.44 0.58 -3.07 0.00 0.00 178.15 175.81 2r2l h VAL 122 N 0.31 1.38 -0.25 2.19 2.07 -0.16 -2.38 116.25 119.40 2r2l h VAL 122 Ca -0.02 -1.77 0.05 0.00 0.82 0.00 0.00 66.70 65.79 2r2l h VAL 122 Cb 1.22 2.19 -0.05 0.00 -1.52 0.00 0.00 31.29 33.13 2r2l h VAL 122 CO 0.12 0.53 -0.09 0.00 0.02 0.00 0.00 177.57 178.14 2r2l h ALA 123 N 0.48 0.13 -0.71 1.67 0.00 -1.09 0.76 119.26 120.49 2r2l h ALA 123 Ca -0.03 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2r2l h ALA 123 Cb 1.07 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 2r2l h ALA 123 CO 0.09 -0.50 0.43 0.00 0.00 0.00 0.00 179.25 179.27 2r2l h THR 124 N -0.05 1.20 -0.55 0.00 1.03 -1.39 -0.28 112.91 112.87 2r2l h THR 124 Ca 0.13 -0.44 -0.08 0.00 -0.01 0.00 0.00 66.41 66.01 2r2l h THR 124 Cb 0.24 0.20 -0.02 0.00 -1.07 0.00 0.00 68.15 67.50 2r2l h THR 124 CO -0.29 0.21 0.02 0.44 -0.01 0.00 0.00 175.52 175.89 2r2l h ASP 125 N 0.98 0.88 -0.31 0.00 3.32 -0.58 -1.07 116.42 119.65 2r2l h ASP 125 Ca 0.26 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 2r2l h ASP 125 Cb -0.04 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 2r2l h ASP 125 CO -0.05 0.93 -0.06 0.58 -1.72 0.00 0.00 179.24 178.92 2r2l h VAL 126 N 0.85 1.28 -0.39 -1.35 2.07 -0.09 -1.53 116.25 117.09 2r2l h VAL 126 Ca 0.16 -1.09 0.05 0.00 0.82 0.00 0.00 66.70 66.64 2r2l h VAL 126 Cb 0.47 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 2r2l h VAL 126 CO 0.02 0.35 0.14 0.00 0.02 0.00 0.00 177.57 178.10 2r2l h GLN 128 N 0.31 1.23 -0.17 0.00 4.20 -1.10 -0.67 115.11 118.91 2r2l h GLN 128 Ca 0.18 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2r2l h GLN 128 Cb 0.16 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2r2l h GLN 128 CO -0.18 0.94 -0.02 0.35 -0.67 0.00 0.00 178.83 179.25 2r2l h PHE 129 N 1.22 0.35 -0.31 2.96 3.57 -0.75 -2.61 116.94 121.36 2r2l h PHE 129 Ca 0.29 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2r2l h PHE 129 Cb 0.12 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2r2l h PHE 129 CO 0.02 0.55 0.19 -0.07 -2.23 0.00 0.00 178.31 176.77 2r2l h LEU 130 N 0.04 0.36 -1.17 0.59 3.38 -0.90 0.93 115.31 118.54 2r2l h LEU 130 Ca 0.05 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.02 2r2l h LEU 130 Cb 0.43 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2r2l h LEU 130 CO 0.01 0.27 0.57 -0.33 0.09 0.00 0.00 178.44 179.05 2r2l h GLU 131 N 0.42 1.09 0.00 1.13 5.08 -0.80 -0.41 114.58 121.09 2r2l h GLU 131 Ca 0.11 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 2r2l h GLU 131 Cb -0.03 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 2r2l h GLU 131 CO -0.02 0.72 -0.42 -0.07 -1.00 0.00 0.00 179.01 178.22 2r2l h LEU 132 N 1.12 0.00 0.00 1.33 3.38 -0.48 -2.84 115.31 117.82 2r2l h LEU 132 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2r2l h LEU 132 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2r2l h LEU 132 CO -0.08 0.42 -0.03 0.00 0.09 0.00 0.00 178.44 178.84 2r2l s GLN 134 N -3.21 4.45 0.20 0.00 0.74 -0.42 -0.63 119.66 120.79 2r2l s GLN 134 Ca 0.07 1.88 -0.25 0.00 0.05 0.00 0.00 55.36 57.11 2r2l s GLN 134 Cb 0.06 -3.27 -0.08 0.00 1.10 0.00 0.00 33.01 30.81 2r2l s GLN 134 CO 0.67 -0.19 0.80 0.45 -0.55 0.00 0.00 175.29 176.47 2r2l s SER 135 N 0.55 7.36 0.65 6.67 0.15 0.12 -4.92 113.70 124.27 2r2l s SER 135 Ca 0.56 1.66 0.42 0.00 0.70 0.00 0.00 55.95 59.29 2r2l s SER 135 Cb -0.32 -2.51 2.31 0.00 -1.71 0.00 0.00 66.02 63.79 2r2l s SER 135 CO 0.34 0.15 2.35 1.55 1.20 0.00 0.00 173.24 178.82 2r2l h PRO 136 N 4.03 0.00 -0.18 5.44 0.13 -1.95 0.35 132.00 139.82 2r2l h PRO 136 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2r2l h PRO 136 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2r2l h PRO 136 CO 0.66 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.18 2r2l n ASP 137 N -3.24 1.88 0.00 1.44 8.00 -1.26 -4.98 116.55 118.39 2r2l n ASP 137 Ca -0.03 -1.74 0.00 0.00 0.71 0.00 0.00 54.79 53.73 2r2l n ASP 137 Cb 0.07 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 2r2l n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2r2l n GLY 138 N 1.18 2.37 0.00 0.44 0.00 0.11 -4.10 105.19 105.18 2r2l n GLY 138 Ca 0.17 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.42 2r2l n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r2l n GLY 139 N 1.57 -2.05 3.46 -0.02 0.00 -1.26 -4.45 105.19 102.44 2r2l n GLY 139 Ca 0.00 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 2r2l n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r2l s PHE 140 N -2.32 2.56 0.55 1.61 0.40 -1.26 -0.71 117.98 118.81 2r2l s PHE 140 Ca 0.00 -0.26 0.04 0.00 -0.60 0.00 0.00 56.93 56.12 2r2l s PHE 140 Cb 0.00 -1.45 0.05 0.00 0.51 0.00 0.00 43.02 42.13 2r2l s PHE 140 CO 0.00 0.27 0.76 0.20 0.70 0.00 0.00 175.22 177.14 2r2l s GLY 141 N -1.52 1.84 0.00 4.36 0.00 0.20 -1.68 107.32 110.53 2r2l s GLY 141 Ca 0.15 -1.62 0.18 0.00 0.00 0.00 0.00 44.72 43.43 2r2l s GLY 141 CO 0.06 -1.29 1.50 0.61 0.00 0.00 0.00 173.10 173.98 2r2l n GLY 142 N -2.27 -0.68 0.00 0.20 0.00 -1.26 -4.68 105.19 96.51 2r2l n GLY 142 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2r2l n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r2l n GLY 143 N 0.16 0.31 3.68 -0.02 0.00 -1.26 -1.37 105.19 106.69 2r2l n GLY 143 Ca 0.12 -0.89 -0.51 0.00 0.00 0.00 0.00 46.02 44.73 2r2l n GLY 143 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2r2l n PRO 144 N -0.14 1.75 -0.50 1.61 -0.02 -1.26 -1.29 135.00 135.15 2r2l n PRO 144 Ca 0.00 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2r2l n PRO 144 Cb 0.00 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 2r2l n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r2l n GLY 145 N 4.01 1.64 3.85 -1.23 0.00 -1.24 -5.01 105.19 107.20 2r2l n GLY 145 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 2r2l n GLY 145 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r2l s GLN 146 N -0.13 3.93 0.61 1.61 -0.21 -0.41 -5.02 119.66 120.03 2r2l s GLN 146 Ca 0.00 0.83 -0.18 0.00 0.02 0.00 0.00 55.36 56.02 2r2l s GLN 146 Cb 0.00 -2.22 -0.03 0.00 1.00 0.00 0.00 33.01 31.76 2r2l s GLN 146 CO 0.00 -0.17 1.19 0.71 -2.12 0.00 0.00 175.29 174.91 2r2l s TYR 147 N -2.49 2.39 0.66 0.91 4.12 -1.26 -4.36 117.35 117.32 2r2l s TYR 147 Ca 0.57 1.53 -0.16 0.00 0.02 0.00 0.00 57.07 59.03 2r2l s TYR 147 Cb -0.10 -3.44 0.00 0.00 -1.52 0.00 0.00 41.96 36.90 2r2l s TYR 147 CO 0.29 -2.17 1.17 -1.25 0.02 0.00 0.00 175.55 173.62 2r2l s PRO 148 N -3.45 2.62 -0.14 -1.71 0.04 -1.26 -4.14 135.00 126.96 2r2l s PRO 148 Ca 0.76 1.65 -0.16 0.00 0.04 0.00 0.00 61.00 63.29 2r2l s PRO 148 Cb -0.29 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.39 2r2l s PRO 148 CO 0.34 -1.44 0.44 -1.58 0.04 0.00 0.00 177.00 174.80 2r2l s HIS 149 N -1.99 -0.45 0.42 0.56 2.46 -0.67 -4.73 115.29 110.88 2r2l s HIS 149 Ca 0.73 1.06 0.09 0.00 0.47 0.00 0.00 55.06 57.40 2r2l s HIS 149 Cb -0.26 0.17 0.90 0.00 -0.13 0.00 0.00 32.58 33.26 2r2l s HIS 149 CO 0.40 -0.28 2.04 -0.07 -2.47 0.00 0.00 174.74 174.36 2r2l h LEU 150 N 5.07 0.34 0.53 8.88 3.38 -0.72 -1.67 115.31 131.13 2r2l h LEU 150 Ca -0.27 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 2r2l h LEU 150 Cb 1.18 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.84 2r2l h LEU 150 CO 0.26 0.30 -0.25 0.00 0.09 0.00 0.00 178.44 178.84 2r2l h ALA 151 N 1.75 -0.71 0.00 1.53 0.00 -1.92 -0.13 119.26 119.79 2r2l h ALA 151 Ca 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2r2l h ALA 151 Cb 0.05 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2r2l h ALA 151 CO -0.01 -0.77 -0.11 -1.00 0.00 0.00 0.00 179.25 177.35 2r2l h PRO 152 N -0.97 0.00 -0.33 0.00 0.13 -1.79 -1.60 132.00 127.44 2r2l h PRO 152 Ca -0.07 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.03 2r2l h PRO 152 Cb 0.62 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 2r2l h PRO 152 CO 0.12 0.11 0.09 1.15 -0.23 0.00 0.00 178.00 179.25 2r2l h THR 153 N 0.00 1.21 -0.65 1.56 2.02 -1.06 0.20 112.91 116.19 2r2l h THR 153 Ca -0.00 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 2r2l h THR 153 Cb 0.33 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 2r2l h THR 153 CO 0.01 0.24 0.38 0.22 0.37 0.00 0.00 175.52 176.74 2r2l h TYR 154 N 0.37 0.88 -0.45 3.16 3.20 -0.21 -1.96 116.97 121.96 2r2l h TYR 154 Ca 0.10 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.84 2r2l h TYR 154 Cb 0.27 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 2r2l h TYR 154 CO 0.01 0.61 -0.19 0.00 -1.64 0.00 0.00 178.16 176.94 2r2l h ALA 155 N 1.19 0.62 -0.23 1.82 0.00 -1.01 -1.99 119.26 119.66 2r2l h ALA 155 Ca 0.23 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2r2l h ALA 155 Cb -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2r2l h ALA 155 CO -0.04 0.59 0.14 0.00 0.00 0.00 0.00 179.25 179.94 2r2l h ALA 156 N 0.85 0.30 -0.72 0.00 0.00 -0.41 -0.02 119.26 119.26 2r2l h ALA 156 Ca 0.10 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2r2l h ALA 156 Cb 0.76 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2r2l h ALA 156 CO 0.06 -0.20 0.24 0.28 0.00 0.00 0.00 179.25 179.63 2r2l h VAL 157 N 0.29 1.26 -0.67 0.00 2.07 -1.34 -0.72 116.25 117.14 2r2l h VAL 157 Ca 0.08 -0.87 -0.08 0.00 0.82 0.00 0.00 66.70 66.65 2r2l h VAL 157 Cb 0.02 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 2r2l h VAL 157 CO -0.02 0.34 0.10 0.78 0.02 0.00 0.00 177.57 178.79 2r2l h ASN 158 N 1.05 1.08 0.14 0.57 4.21 -1.12 -1.11 115.58 120.40 2r2l h ASN 158 Ca 0.23 -0.26 -0.01 0.00 1.21 0.00 0.00 56.30 57.47 2r2l h ASN 158 Cb 0.28 -0.29 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2r2l h ASN 158 CO -0.01 1.07 -0.07 0.00 -1.29 0.00 0.00 177.43 177.13 2r2l h ALA 159 N 1.05 -0.19 -0.72 -0.83 0.00 -0.67 -1.47 119.26 116.43 2r2l h ALA 159 Ca 0.20 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.10 2r2l h ALA 159 Cb 0.46 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2r2l h ALA 159 CO 0.02 -0.53 0.47 -0.07 0.00 0.00 0.00 179.25 179.14 2r2l h LEU 160 N -0.33 0.58 -0.57 0.00 3.38 -1.01 -1.24 115.31 116.12 2r2l h LEU 160 Ca -0.02 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2r2l h LEU 160 Cb 0.26 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2r2l h LEU 160 CO 0.03 0.35 -0.68 0.00 0.09 0.00 0.00 178.44 178.24 2r2l h ILE 162 N 0.13 1.26 -0.40 0.00 2.04 -0.17 -2.28 117.51 118.09 2r2l h ILE 162 Ca -0.01 -1.00 -0.05 0.00 1.00 0.00 0.00 64.86 64.80 2r2l h ILE 162 Cb 1.21 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2r2l h ILE 162 CO 0.10 0.38 0.05 0.40 0.00 0.00 0.00 178.15 179.08 2r2l h ILE 163 N 1.03 1.25 -1.87 -0.67 2.04 -1.25 -3.47 117.51 114.57 2r2l h ILE 163 Ca 0.21 -0.91 -0.38 0.00 1.00 0.00 0.00 64.86 64.78 2r2l h ILE 163 Cb 0.40 1.05 -0.10 0.00 -0.74 0.00 0.00 36.82 37.43 2r2l h ILE 163 CO 0.01 0.31 -0.40 0.61 0.00 0.00 0.00 178.15 178.68 2r2l n GLY 164 N -0.46 0.96 3.96 5.37 0.00 -0.23 -5.00 105.19 109.79 2r2l n GLY 164 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2r2l n GLY 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2r2l s THR 165 N -2.73 4.48 0.34 2.61 -4.23 -1.26 -4.94 115.64 109.92 2r2l s THR 165 Ca 0.00 -0.69 0.04 0.00 -1.18 0.00 0.00 61.69 59.86 2r2l s THR 165 Cb 0.00 -3.61 0.29 0.00 1.34 0.00 0.00 72.50 70.52 2r2l s THR 165 CO 0.00 -0.34 1.93 -0.33 -0.54 0.00 0.00 174.62 175.34 2r2l h GLU 166 N 0.73 0.82 -0.53 3.99 4.39 -1.98 -0.36 114.58 121.64 2r2l h GLU 166 Ca -0.48 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.15 2r2l h GLU 166 Cb 1.24 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 2r2l h GLU 166 CO 0.58 0.54 0.24 1.49 -1.16 0.00 0.00 179.01 180.70 2r2l h GLU 167 N 0.84 0.77 0.63 2.33 4.81 -1.98 -0.13 114.58 121.86 2r2l h GLU 167 Ca 0.35 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 2r2l h GLU 167 Cb 0.29 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2r2l h GLU 167 CO -0.13 0.65 -0.32 0.00 -0.73 0.00 0.00 179.01 178.49 2r2l h ALA 168 N 1.08 -0.87 -0.81 2.92 0.00 -1.45 -2.69 119.26 117.44 2r2l h ALA 168 Ca 0.18 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.03 2r2l h ALA 168 Cb 0.15 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 2r2l h ALA 168 CO -0.02 -0.99 0.41 1.88 0.00 0.00 0.00 179.25 180.53 2r2l h TYR 169 N -0.87 0.72 0.00 0.00 0.99 -1.02 -1.44 116.97 115.35 2r2l h TYR 169 Ca -0.09 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.68 2r2l h TYR 169 Cb 0.68 -0.20 0.00 0.00 1.00 0.00 0.00 36.73 38.21 2r2l h TYR 169 CO -0.04 0.19 0.00 -0.91 -0.00 0.00 0.00 178.16 177.40 2r2l h ASN 170 N 0.62 0.00 -0.64 3.88 2.35 -0.82 -2.98 115.58 117.99 2r2l h ASN 170 Ca 0.43 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.22 2r2l h ASN 170 Cb 0.57 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.90 2r2l h ASN 170 CO -0.34 0.00 0.39 0.58 -1.65 0.00 0.00 177.43 176.41 2r2l h VAL 171 N 0.00 1.05 -2.52 2.81 2.07 -0.93 -3.42 116.25 115.31 2r2l h VAL 171 Ca 0.00 -0.26 -0.55 0.00 0.82 0.00 0.00 66.70 66.71 2r2l h VAL 171 Cb 0.33 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2r2l h VAL 171 CO 0.00 0.14 1.18 -0.63 0.02 0.00 0.00 177.57 178.27 2r2l s ILE 172 N -6.12 3.41 -0.83 4.57 1.01 -1.13 -4.94 121.20 117.17 2r2l s ILE 172 Ca -0.13 0.48 -0.23 0.00 0.00 0.00 0.00 60.65 60.77 2r2l s ILE 172 Cb 0.15 -3.36 0.07 0.00 0.01 0.00 0.00 42.46 39.32 2r2l s ILE 172 CO 0.76 -0.10 1.20 0.21 0.00 0.00 0.00 174.94 177.01 2r2l s ASN 173 N 4.38 6.35 0.20 3.58 3.84 -1.26 -4.88 114.94 127.15 2r2l s ASN 173 Ca 0.80 -1.20 -0.11 0.00 0.21 0.00 0.00 52.86 52.55 2r2l s ASN 173 Cb -0.33 -2.49 0.14 0.00 -0.55 0.00 0.00 41.25 38.01 2r2l s ASN 173 CO 0.33 -1.48 1.86 0.03 -2.79 0.00 0.00 177.10 175.05 2r2l h ARG 174 N 9.59 0.84 -0.29 0.43 3.08 -1.95 -1.09 114.38 124.98 2r2l h ARG 174 Ca -0.06 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 2r2l h ARG 174 Cb 1.04 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2r2l h ARG 174 CO 1.26 0.56 0.17 0.93 -1.07 0.00 0.00 179.97 181.82 2r2l h GLU 175 N 0.87 0.40 -0.03 0.04 3.07 -2.00 -1.95 114.58 114.97 2r2l h GLU 175 Ca 0.25 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.96 2r2l h GLU 175 Cb -0.06 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 2r2l h GLU 175 CO -0.07 0.31 -0.51 0.87 -1.40 0.00 0.00 179.01 178.21 2r2l h LYS 176 N 0.37 0.08 -0.44 2.33 1.79 -1.86 -2.14 116.57 116.70 2r2l h LYS 176 Ca 0.10 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.50 2r2l h LYS 176 Cb 0.02 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 2r2l h LYS 176 CO -0.02 0.58 0.18 1.25 -1.08 0.00 0.00 179.45 180.36 2r2l h LEU 177 N 0.07 0.60 -0.28 2.94 5.85 -0.85 0.29 115.31 123.92 2r2l h LEU 177 Ca -0.00 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2r2l h LEU 177 Cb 0.93 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2r2l h LEU 177 CO 0.07 0.59 0.15 0.25 -0.34 0.00 0.00 178.44 179.16 2r2l h LEU 178 N 0.57 0.36 -0.68 2.25 5.85 -1.22 0.07 115.31 122.50 2r2l h LEU 178 Ca 0.15 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.84 2r2l h LEU 178 Cb 0.18 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 2r2l h LEU 178 CO -0.01 0.36 0.35 1.56 -0.34 0.00 0.00 178.44 180.36 2r2l h GLN 179 N 0.33 0.60 -0.22 1.25 4.20 -1.03 -1.52 115.11 118.71 2r2l h GLN 179 Ca 0.10 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2r2l h GLN 179 Cb 0.09 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2r2l h GLN 179 CO -0.01 0.40 0.11 -0.92 -0.67 0.00 0.00 178.83 177.73 2r2l h TYR 180 N 0.62 0.32 -0.78 2.96 3.20 0.24 -2.18 116.97 121.36 2r2l h TYR 180 Ca 0.33 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.23 2r2l h TYR 180 Cb 0.30 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.42 2r2l h TYR 180 CO -0.10 0.33 0.48 -0.07 -1.64 0.00 0.00 178.16 177.15 2r2l h LEU 181 N 0.23 0.76 -1.26 2.82 3.38 -0.48 -1.77 115.31 118.99 2r2l h LEU 181 Ca 0.08 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2r2l h LEU 181 Cb 0.12 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2r2l h LEU 181 CO -0.01 0.50 0.30 1.88 0.09 0.00 0.00 178.44 181.20 2r2l h TYR 182 N 0.90 0.79 0.00 1.13 -1.99 -1.05 -1.52 116.97 115.23 2r2l h TYR 182 Ca 0.33 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.04 2r2l h TYR 182 Cb 0.11 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 38.58 2r2l h TYR 182 CO -0.04 0.57 0.00 0.66 -0.00 0.00 0.00 178.16 179.35 2r2l h SER 183 N 0.81 0.00 0.00 3.88 4.64 -0.68 -2.62 113.55 119.59 2r2l h SER 183 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2r2l h SER 183 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2r2l h SER 183 CO -0.03 0.00 -1.58 0.18 -0.87 0.00 0.00 176.83 174.53 2r2l n LEU 184 N -2.43 0.33 -4.73 5.97 4.77 -0.65 -4.94 117.00 115.32 2r2l n LEU 184 Ca 0.01 -0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.40 2r2l n LEU 184 Cb 0.22 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 2r2l n LEU 184 CO 0.20 0.08 1.21 -0.75 -1.33 0.00 0.00 177.39 176.81 2r2l s LYS 185 N -3.22 4.21 0.20 3.23 2.47 -0.72 -1.33 119.74 124.58 2r2l s LYS 185 Ca -0.02 2.39 0.06 0.00 -1.56 0.00 0.00 55.97 56.84 2r2l s LYS 185 Cb 0.14 -3.12 -0.04 0.00 -1.46 0.00 0.00 37.83 33.35 2r2l s LYS 185 CO 0.84 -0.58 0.18 -0.65 0.16 0.00 0.00 175.35 175.30 2r2l s GLN 186 N 0.59 2.96 0.43 4.03 -1.52 0.51 -4.95 119.66 121.72 2r2l s GLN 186 Ca 0.67 -0.93 0.09 0.00 -1.95 0.00 0.00 55.36 53.24 2r2l s GLN 186 Cb -0.44 -2.64 0.94 0.00 -0.22 0.00 0.00 33.01 30.65 2r2l s GLN 186 CO 0.36 0.45 2.08 -1.35 -0.25 0.00 0.00 175.29 176.58 2r2l h PRO 187 N 1.94 0.42 0.00 2.91 0.11 -1.95 -2.14 132.00 133.29 2r2l h PRO 187 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2r2l h PRO 187 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2r2l h PRO 187 CO 0.62 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.30 2r2l n ASP 188 N -4.49 0.00 0.00 -2.05 5.68 -1.26 -4.88 116.55 109.55 2r2l n ASP 188 Ca 0.02 -1.14 0.00 0.00 -0.50 0.00 0.00 54.79 53.17 2r2l n ASP 188 Cb 0.07 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 2r2l n ASP 188 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2r2l n GLY 189 N 0.88 2.33 3.94 6.12 0.00 -0.80 -4.54 105.19 113.11 2r2l n GLY 189 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 2r2l n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2r2l s SER 190 N -1.42 3.42 0.01 1.61 1.04 -1.26 -3.70 113.70 113.40 2r2l s SER 190 Ca 0.00 0.16 0.03 0.00 0.48 0.00 0.00 55.95 56.62 2r2l s SER 190 Cb 0.00 -0.29 -0.01 0.00 0.10 0.00 0.00 66.02 65.82 2r2l s SER 190 CO 0.00 -2.52 -0.09 -0.36 0.98 0.00 0.00 173.24 171.25 2r2l s PHE 191 N -3.73 0.79 0.56 5.02 0.40 -1.26 -0.36 117.98 119.40 2r2l s PHE 191 Ca 0.72 -0.23 -0.15 0.00 -0.60 0.00 0.00 56.93 56.67 2r2l s PHE 191 Cb -0.04 -0.49 -0.06 0.00 0.51 0.00 0.00 43.02 42.93 2r2l s PHE 191 CO 0.51 -0.02 1.01 -0.51 0.70 0.00 0.00 175.22 176.91 2r2l s LEU 192 N -0.59 3.49 0.31 -0.37 1.43 -0.44 -4.25 118.68 118.26 2r2l s LEU 192 Ca 0.01 1.57 0.15 0.00 -1.03 0.00 0.00 54.13 54.83 2r2l s LEU 192 Cb -0.05 -4.50 0.41 0.00 0.03 0.00 0.00 46.19 42.08 2r2l s LEU 192 CO 0.00 -0.77 1.61 0.24 0.23 0.00 0.00 176.35 177.66 2r2l h MET 193 N 0.48 0.00 -2.01 1.70 2.86 -0.98 -3.46 114.93 113.51 2r2l h MET 193 Ca -0.46 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.37 2r2l h MET 193 Cb 1.19 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.71 2r2l h MET 193 CO 0.61 0.52 0.60 -3.38 1.06 0.00 0.00 176.91 176.32 2r2l s HIS 194 N -3.40 -0.20 0.12 -0.22 0.00 -1.26 -0.01 115.29 110.31 2r2l s HIS 194 Ca 0.01 0.05 -0.35 0.00 -3.00 0.00 0.00 55.06 51.77 2r2l s HIS 194 Cb 0.11 0.56 -0.15 0.00 -4.00 0.00 0.00 32.58 29.10 2r2l s HIS 194 CO 0.73 -0.51 1.54 0.28 -1.00 0.00 0.00 174.74 175.78 2r2l n VAL 195 N -0.30 0.04 -1.26 -5.38 0.31 -1.26 -0.09 118.33 110.38 2r2l n VAL 195 Ca -0.06 -0.01 -0.09 0.00 -0.01 0.00 0.00 64.34 64.17 2r2l n VAL 195 Cb 0.61 -1.37 -0.04 0.00 -0.91 0.00 0.00 33.84 32.13 2r2l n VAL 195 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2r2l n GLY 196 N 3.26 1.02 0.00 2.92 0.00 -1.26 -4.98 105.19 106.15 2r2l n GLY 196 Ca 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2r2l n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r2l n GLY 197 N -1.12 2.90 3.99 -0.02 0.00 0.87 -5.13 105.19 106.68 2r2l n GLY 197 Ca -0.09 -2.06 -0.19 0.00 0.00 0.00 0.00 46.02 43.68 2r2l n GLY 197 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2r2l s GLU 198 N 1.68 2.96 -0.04 1.61 1.03 -1.26 -4.78 118.70 119.91 2r2l s GLU 198 Ca 0.00 -0.99 0.06 0.00 0.03 0.00 0.00 54.97 54.07 2r2l s GLU 198 Cb 0.00 -2.73 -0.02 0.00 -0.80 0.00 0.00 34.13 30.58 2r2l s GLU 198 CO 0.00 -0.17 -0.22 0.08 -1.33 0.00 0.00 175.26 173.62 2r2l s VAL 199 N -2.34 2.35 0.04 1.83 1.01 -1.26 -0.33 120.40 121.70 2r2l s VAL 199 Ca 0.50 -0.99 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 2r2l s VAL 199 Cb -0.10 -1.86 0.09 0.00 0.00 0.00 0.00 36.38 34.52 2r2l s VAL 199 CO 0.33 0.58 1.05 1.51 0.00 0.00 0.00 175.10 178.57 2r2l s ASP 200 N -0.52 -0.18 0.48 3.32 1.47 -1.26 -4.85 116.67 115.13 2r2l s ASP 200 Ca 0.07 -0.21 0.24 0.00 1.18 0.00 0.00 52.55 53.83 2r2l s ASP 200 Cb -0.11 0.35 1.28 0.00 -0.34 0.00 0.00 42.92 44.11 2r2l s ASP 200 CO 0.01 -0.63 1.88 0.58 0.68 0.00 0.00 175.17 177.68 2r2l h VAL 201 N 2.00 0.62 -0.73 2.11 2.07 -1.33 -2.02 116.25 118.98 2r2l h VAL 201 Ca -0.24 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.30 2r2l h VAL 201 Cb 1.22 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 2r2l h VAL 201 CO 0.27 0.04 0.48 0.03 0.02 0.00 0.00 177.57 178.40 2r2l h ARG 202 N 0.19 0.68 -0.24 1.57 3.08 -1.89 -1.90 114.38 115.87 2r2l h ARG 202 Ca 0.44 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.35 2r2l h ARG 202 Cb 1.40 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 2r2l h ARG 202 CO -0.09 0.45 -0.27 0.66 -1.07 0.00 0.00 179.97 179.64 2r2l h SER 203 N 0.70 0.47 -0.57 7.04 4.64 -1.66 0.39 113.55 124.56 2r2l h SER 203 Ca 0.32 -0.16 -0.11 0.00 -0.47 0.00 0.00 61.79 61.37 2r2l h SER 203 Cb 0.36 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 2r2l h SER 203 CO -0.11 0.73 -0.08 0.00 -0.87 0.00 0.00 176.83 176.50 2r2l h ALA 204 N 1.30 0.78 -0.22 5.18 0.00 -1.48 -1.53 119.26 123.29 2r2l h ALA 204 Ca 0.06 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2r2l h ALA 204 Cb 0.69 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2r2l h ALA 204 CO 0.05 0.68 -0.09 -0.92 0.00 0.00 0.00 179.25 178.96 2r2l h TYR 205 N 0.95 0.52 -0.72 0.00 3.20 -1.10 -1.16 116.97 118.66 2r2l h TYR 205 Ca 0.15 -0.12 0.05 0.00 3.14 0.00 0.00 58.73 61.95 2r2l h TYR 205 Cb 0.65 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.75 2r2l h TYR 205 CO 0.05 0.72 0.42 0.00 -1.64 0.00 0.00 178.16 177.71 2r2l h ALA 207 N 1.35 -0.14 -0.38 0.00 0.00 -1.22 -2.16 119.26 116.71 2r2l h ALA 207 Ca 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2r2l h ALA 207 Cb 0.15 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2r2l h ALA 207 CO -0.17 -0.41 0.21 0.00 0.00 0.00 0.00 179.25 178.89 2r2l h ALA 208 N 0.36 1.66 0.20 0.00 0.00 -1.02 0.97 119.26 121.43 2r2l h ALA 208 Ca -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2r2l h ALA 208 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2r2l h ALA 208 CO 0.02 0.29 -0.10 1.03 0.00 0.00 0.00 179.25 180.50 2r2l h SER 209 N 0.52 -0.23 0.01 0.00 0.87 -0.77 -2.22 113.55 111.73 2r2l h SER 209 Ca 0.14 -0.26 -0.15 0.00 -1.23 0.00 0.00 61.79 60.28 2r2l h SER 209 Cb 0.01 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2r2l h SER 209 CO -0.02 0.18 -0.51 -0.37 -0.53 0.00 0.00 176.83 175.57 2r2l h VAL 210 N -0.68 1.32 -0.56 2.23 -1.51 -1.22 -2.27 116.25 113.55 2r2l h VAL 210 Ca -0.03 -1.74 -0.08 0.00 -1.23 0.00 0.00 66.70 63.62 2r2l h VAL 210 Cb 0.48 1.72 -0.02 0.00 -2.13 0.00 0.00 31.29 31.34 2r2l h VAL 210 CO 0.05 0.54 0.02 0.00 -1.23 0.00 0.00 177.57 176.95 2r2l h ALA 211 N 1.00 0.98 -0.03 5.19 0.00 -0.88 -1.87 119.26 123.65 2r2l h ALA 211 Ca 0.02 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.46 2r2l h ALA 211 Cb 1.04 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.63 2r2l h ALA 211 CO 0.10 0.63 -0.70 0.66 0.00 0.00 0.00 179.25 179.94 2r2l h SER 212 N 0.88 0.66 -0.64 0.00 4.64 -1.35 -1.52 113.55 116.21 2r2l h SER 212 Ca 0.17 -0.73 -0.04 0.00 -0.47 0.00 0.00 61.79 60.72 2r2l h SER 212 Cb 0.49 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.35 2r2l h SER 212 CO 0.02 1.30 0.26 -0.07 -0.87 0.00 0.00 176.83 177.47 2r2l h LEU 213 N 0.09 0.91 -1.69 5.97 3.38 -1.37 -2.89 115.31 119.71 2r2l h LEU 213 Ca -0.08 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2r2l h LEU 213 Cb 1.38 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2r2l h LEU 213 CO 0.14 0.81 0.00 0.35 0.09 0.00 0.00 178.44 179.83 2r2l n THR 214 N -4.30 0.31 -3.54 0.22 -2.24 -0.71 -4.20 114.28 99.82 2r2l n THR 214 Ca 0.06 -0.53 -0.23 0.00 -2.27 0.00 0.00 64.05 61.09 2r2l n THR 214 Cb 0.18 0.74 0.05 0.00 -2.10 0.00 0.00 70.33 69.19 2r2l n THR 214 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2r2l n ASN 215 N 0.91 -4.31 -0.12 3.42 5.15 -0.87 -4.88 115.26 114.56 2r2l n ASN 215 Ca 0.17 -0.84 0.08 0.00 -0.60 0.00 0.00 54.58 53.39 2r2l n ASN 215 Cb 0.47 -4.25 0.11 0.00 -0.53 0.00 0.00 39.78 35.58 2r2l n ASN 215 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2r2l n ILE 216 N -3.91 1.53 -2.52 -1.44 -5.35 -0.63 -4.21 119.36 102.83 2r2l n ILE 216 Ca -0.16 -1.81 -0.43 0.00 -0.27 0.00 0.00 62.75 60.08 2r2l n ILE 216 Cb 0.63 -0.05 -0.02 0.00 -1.74 0.00 0.00 39.64 38.46 2r2l n ILE 216 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2r2l s ILE 217 N -2.27 4.37 0.49 7.28 1.01 -1.25 -4.82 121.20 126.00 2r2l s ILE 217 Ca 0.24 1.61 0.01 0.00 0.00 0.00 0.00 60.65 62.52 2r2l s ILE 217 Cb 0.21 -4.21 0.01 0.00 0.01 0.00 0.00 42.46 38.48 2r2l s ILE 217 CO 0.02 -0.33 0.70 0.42 0.00 0.00 0.00 174.94 175.75 2r2l s THR 218 N 3.74 3.41 0.38 2.92 -4.23 -1.26 -5.00 115.64 115.59 2r2l s THR 218 Ca 0.51 -0.61 0.11 0.00 -1.18 0.00 0.00 61.69 60.52 2r2l s THR 218 Cb -0.17 -3.26 0.34 0.00 1.34 0.00 0.00 72.50 70.75 2r2l s THR 218 CO 0.16 -0.17 1.87 -0.65 -0.54 0.00 0.00 174.62 175.28 2r2l h PRO 219 N 0.29 0.59 -0.02 3.99 0.11 -2.01 -3.03 132.00 131.92 2r2l h PRO 219 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2r2l h PRO 219 Cb 1.27 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2r2l h PRO 219 CO 0.54 0.39 0.00 -0.40 -0.21 0.00 0.00 178.00 178.32 2r2l n ASP 220 N -4.55 2.17 -0.22 -2.05 3.85 -1.26 -4.68 116.55 109.81 2r2l n ASP 220 Ca 0.17 -1.58 0.03 0.00 -0.71 0.00 0.00 54.79 52.69 2r2l n ASP 220 Cb 0.52 -0.00 0.14 0.00 -1.35 0.00 0.00 41.12 40.42 2r2l n ASP 220 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2r2l h LEU 221 N 2.72 0.09 -3.72 -2.12 5.85 -1.92 -2.44 115.31 113.76 2r2l h LEU 221 Ca 0.00 0.11 -0.39 0.00 0.84 0.00 0.00 57.88 58.44 2r2l h LEU 221 Cb 0.58 0.14 -0.23 0.00 0.37 0.00 0.00 40.66 41.52 2r2l h LEU 221 CO 0.00 0.04 0.32 0.49 -0.34 0.00 0.00 178.44 178.95 2r2l n PHE 222 N -5.09 2.25 -1.98 1.25 3.01 -1.26 -4.97 117.46 110.66 2r2l n PHE 222 Ca 0.11 -1.84 -0.42 0.00 1.01 0.00 0.00 57.45 56.31 2r2l n PHE 222 Cb 0.36 -0.78 -0.03 0.00 -0.01 0.00 0.00 39.48 39.03 2r2l n PHE 222 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2r2l s GLU 223 N -3.32 4.22 0.00 -1.08 2.56 -0.92 -2.02 118.70 118.13 2r2l s GLU 223 Ca 0.52 2.27 0.00 0.00 0.00 0.00 0.00 54.97 57.76 2r2l s GLU 223 Cb 0.45 -3.52 0.00 0.00 2.00 0.00 0.00 34.13 33.06 2r2l s GLU 223 CO 0.05 -0.68 0.00 0.41 -0.56 0.00 0.00 175.26 174.48 2r2l n GLY 224 N 3.89 2.52 0.22 -1.50 0.00 -1.26 -4.38 105.19 104.66 2r2l n GLY 224 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 2r2l n GLY 224 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2r2l h THR 225 N 0.00 1.25 -0.86 2.61 2.02 -1.48 -1.29 112.91 115.17 2r2l h THR 225 Ca 0.00 -0.97 0.01 0.00 0.77 0.00 0.00 66.41 66.22 2r2l h THR 225 Cb 0.00 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 2r2l h THR 225 CO 0.00 0.33 0.57 0.00 0.37 0.00 0.00 175.52 176.79 2r2l h ALA 226 N 0.90 1.09 -0.47 6.16 0.00 -1.89 -1.19 119.26 123.86 2r2l h ALA 226 Ca 0.12 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2r2l h ALA 226 Cb 0.44 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2r2l h ALA 226 CO 0.02 0.50 -0.12 0.93 0.00 0.00 0.00 179.25 180.57 2r2l h GLU 227 N 1.16 0.87 -0.45 0.00 3.07 -1.90 -1.62 114.58 115.71 2r2l h GLU 227 Ca 0.31 -0.31 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 2r2l h GLU 227 Cb -0.13 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.70 2r2l h GLU 227 CO -0.07 0.95 0.06 2.35 -1.40 0.00 0.00 179.01 180.90 2r2l h TRP 228 N 0.78 0.81 -0.71 4.33 7.01 -0.73 -2.42 115.95 125.02 2r2l h TRP 228 Ca 0.12 -0.12 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 2r2l h TRP 228 Cb 0.64 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.45 2r2l h TRP 228 CO 0.04 0.77 0.35 0.82 -2.79 0.00 0.00 178.44 177.63 2r2l h ILE 229 N 0.62 1.23 -0.55 2.65 2.04 -1.09 -2.51 117.51 119.90 2r2l h ILE 229 Ca 0.14 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.36 2r2l h ILE 229 Cb 0.41 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2r2l h ILE 229 CO 0.01 0.27 0.36 0.00 0.00 0.00 0.00 178.15 178.79 2r2l h ALA 230 N 1.17 1.60 0.00 1.87 0.00 -1.09 0.65 119.26 123.45 2r2l h ALA 230 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2r2l h ALA 230 Cb 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2r2l h ALA 230 CO -0.03 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.59 2r2l h ARG 231 N 0.75 0.00 -0.00 0.00 3.08 -0.97 -1.62 114.38 115.61 2r2l h ARG 231 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2r2l h ARG 231 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2r2l h ARG 231 CO -0.04 0.00 -0.22 0.00 -1.07 0.00 0.00 179.97 178.64 2r2l s GLN 233 N -2.86 4.50 0.12 0.00 0.74 -0.61 -1.01 119.66 120.54 2r2l s GLN 233 Ca 0.17 1.28 0.01 0.00 0.05 0.00 0.00 55.36 56.87 2r2l s GLN 233 Cb 0.19 -3.48 0.01 0.00 1.10 0.00 0.00 33.01 30.83 2r2l s GLN 233 CO 0.58 -0.09 0.07 0.27 -0.55 0.00 0.00 175.29 175.57 2r2l n ASN 234 N 4.13 1.60 0.22 6.67 6.94 -0.77 -4.98 115.26 129.07 2r2l n ASN 234 Ca 0.05 -1.43 0.18 0.00 -0.02 0.00 0.00 54.58 53.35 2r2l n ASN 234 Cb 0.51 0.01 0.79 0.00 -2.36 0.00 0.00 39.78 38.73 2r2l n ASN 234 CO 0.00 0.00 0.00 4.11 -1.03 0.00 0.00 177.26 180.34 2r2l h TRP 235 N 0.66 0.00 0.00 -2.53 5.08 -1.96 -1.22 115.95 115.98 2r2l h TRP 235 Ca -0.08 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.83 2r2l h TRP 235 Cb 0.28 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.43 2r2l h TRP 235 CO 0.00 0.00 -0.29 0.93 -1.28 0.00 0.00 178.44 177.80 2r2l h GLU 236 N 0.00 0.00 0.00 0.12 5.08 -1.96 -3.47 114.58 114.35 2r2l h GLU 236 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2r2l h GLU 236 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2r2l h GLU 236 CO -0.00 0.29 0.00 0.41 -1.00 0.00 0.00 179.01 178.71 2r2l n GLY 237 N 0.91 2.38 0.55 -3.84 0.00 -0.46 -4.56 105.19 100.17 2r2l n GLY 237 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 2r2l n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r2l n GLY 238 N -0.47 0.11 3.24 -0.02 0.00 -1.26 -3.41 105.19 103.38 2r2l n GLY 238 Ca 0.00 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 43.84 2r2l n GLY 238 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r2l s ILE 239 N -0.62 1.98 0.49 -0.61 1.01 -1.26 -1.84 121.20 120.34 2r2l s ILE 239 Ca 0.10 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 59.78 2r2l s ILE 239 Cb -0.00 -1.69 0.02 0.00 0.01 0.00 0.00 42.46 40.80 2r2l s ILE 239 CO 0.07 0.55 0.68 -0.83 0.00 0.00 0.00 174.94 175.40 2r2l s GLY 240 N -0.01 1.85 0.21 6.18 0.00 -0.18 -1.45 107.32 113.92 2r2l s GLY 240 Ca -0.08 -1.44 -0.10 0.00 0.00 0.00 0.00 44.72 43.11 2r2l s GLY 240 CO 0.05 -1.21 1.82 -1.33 0.00 0.00 0.00 173.10 172.43 2r2l h GLY 241 N 0.34 0.99 -3.00 0.20 0.00 -1.85 -3.44 103.07 96.32 2r2l h GLY 241 Ca -0.42 -0.28 -0.18 0.00 0.00 0.00 0.00 47.33 46.45 2r2l h GLY 241 CO 0.50 0.20 -0.67 -1.34 0.00 0.00 0.00 176.54 175.23 2r2l s VAL 242 N -6.10 0.29 0.18 4.60 -7.23 -1.26 -0.96 120.40 109.91 2r2l s VAL 242 Ca -0.13 -1.89 -0.33 0.00 -1.81 0.00 0.00 61.98 57.82 2r2l s VAL 242 Cb 0.16 -1.84 -0.14 0.00 0.56 0.00 0.00 36.38 35.12 2r2l s VAL 242 CO 0.76 -0.69 1.48 -2.65 -0.31 0.00 0.00 175.10 173.69 2r2l n PRO 243 N -0.04 1.97 0.00 4.82 -0.02 -1.26 -2.00 135.00 138.47 2r2l n PRO 243 Ca -0.09 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2r2l n PRO 243 Cb 0.62 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2r2l n PRO 243 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r2l n GLY 244 N 2.85 2.79 3.85 -1.23 0.00 -1.26 -5.05 105.19 107.14 2r2l n GLY 244 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2r2l n GLY 244 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2r2l s MET 245 N -0.37 3.68 0.44 1.61 -1.94 -0.85 -5.02 119.30 116.85 2r2l s MET 245 Ca 0.00 0.88 -0.26 0.00 -1.71 0.00 0.00 55.69 54.61 2r2l s MET 245 Cb 0.00 -2.09 -0.09 0.00 2.01 0.00 0.00 34.83 34.66 2r2l s MET 245 CO 0.00 -0.50 1.40 -1.91 -0.01 0.00 0.00 175.02 174.00 2r2l n GLU 246 N -2.24 2.21 -2.05 2.03 2.13 -1.26 -4.13 120.64 117.33 2r2l n GLU 246 Ca 0.07 0.78 -0.41 0.00 0.66 0.00 0.00 57.16 58.26 2r2l n GLU 246 Cb 0.54 -2.57 -0.02 0.00 0.27 0.00 0.00 31.44 29.66 2r2l n GLU 246 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2r2l s ALA 247 N -1.19 3.60 -0.02 4.31 0.00 -1.26 -4.02 121.76 123.19 2r2l s ALA 247 Ca 0.60 1.29 -0.01 0.00 0.00 0.00 0.00 51.96 53.84 2r2l s ALA 247 Cb -0.47 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.12 2r2l s ALA 247 CO 0.58 -0.70 0.05 -1.58 0.00 0.00 0.00 175.76 174.11 2r2l s HIS 248 N -0.04 -0.04 0.29 0.00 2.46 -0.53 -4.66 115.29 112.76 2r2l s HIS 248 Ca 0.58 0.14 0.03 0.00 0.47 0.00 0.00 55.06 56.28 2r2l s HIS 248 Cb -0.41 -0.02 0.66 0.00 -0.13 0.00 0.00 32.58 32.68 2r2l s HIS 248 CO 0.43 -0.04 1.77 0.78 -2.47 0.00 0.00 174.74 175.21 2r2l h GLY 249 N 6.32 1.64 0.91 1.59 0.00 -1.20 0.16 103.07 112.50 2r2l h GLY 249 Ca -0.28 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 2r2l h GLY 249 CO 0.48 -0.05 0.05 -1.33 0.00 0.00 0.00 176.54 175.69 2r2l h GLY 250 N 0.72 0.17 1.97 4.60 0.00 -1.87 -1.17 103.07 107.48 2r2l h GLY 250 Ca 0.54 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.66 2r2l h GLY 250 CO -0.38 0.08 -0.58 -0.97 0.00 0.00 0.00 176.54 174.69 2r2l h TYR 251 N 0.06 0.04 -0.30 5.60 0.99 -1.68 -2.51 116.97 119.16 2r2l h TYR 251 Ca 0.04 -0.01 -0.15 0.00 2.00 0.00 0.00 58.73 60.61 2r2l h TYR 251 Cb 0.10 -0.01 -0.00 0.00 1.00 0.00 0.00 36.73 37.82 2r2l h TYR 251 CO -0.03 0.60 -0.39 1.15 -0.00 0.00 0.00 178.16 179.49 2r2l h THR 252 N 0.02 1.29 0.03 -2.88 2.02 -0.51 0.15 112.91 113.03 2r2l h THR 252 Ca -0.01 -1.57 -0.00 0.00 0.77 0.00 0.00 66.41 65.61 2r2l h THR 252 Cb 1.03 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 2r2l h THR 252 CO 0.08 0.51 -0.01 0.15 0.37 0.00 0.00 175.52 176.61 2r2l h PHE 253 N 0.56 -0.04 -0.89 3.16 3.57 -1.14 -1.19 116.94 120.98 2r2l h PHE 253 Ca 0.04 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.60 2r2l h PHE 253 Cb 0.98 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.67 2r2l h PHE 253 CO 0.07 0.03 0.56 0.00 -2.23 0.00 0.00 178.31 176.74 2r2l h GLY 255 N 1.01 -0.56 0.99 0.00 0.00 -0.61 -1.63 103.07 102.27 2r2l h GLY 255 Ca 0.39 0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.87 2r2l h GLY 255 CO -0.18 -0.20 0.10 -2.00 0.00 0.00 0.00 176.54 174.26 2r2l h LEU 256 N -0.73 0.81 -0.88 3.11 5.85 -1.10 -1.86 115.31 120.51 2r2l h LEU 256 Ca -0.05 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 2r2l h LEU 256 Cb 0.51 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 2r2l h LEU 256 CO 0.09 0.85 0.49 0.00 -0.34 0.00 0.00 178.44 179.53 2r2l h ALA 257 N 0.99 1.13 -0.64 1.25 0.00 -1.00 0.30 119.26 121.29 2r2l h ALA 257 Ca 0.16 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2r2l h ALA 257 Cb 0.37 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2r2l h ALA 257 CO 0.01 0.63 0.07 0.00 0.00 0.00 0.00 179.25 179.96 2r2l h ALA 258 N 1.27 0.92 -0.21 0.00 0.00 -1.09 -2.12 119.26 118.03 2r2l h ALA 258 Ca 0.31 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2r2l h ALA 258 Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2r2l h ALA 258 CO -0.05 0.66 -0.25 -0.07 0.00 0.00 0.00 179.25 179.54 2r2l h LEU 259 N 1.00 0.40 -0.64 0.00 3.38 -0.64 -1.74 115.31 117.06 2r2l h LEU 259 Ca 0.19 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2r2l h LEU 259 Cb 0.47 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2r2l h LEU 259 CO 0.02 0.65 -0.09 0.58 0.09 0.00 0.00 178.44 179.69 2r2l h VAL 260 N 0.35 1.26 -0.66 1.22 2.07 -0.63 0.27 116.25 120.15 2r2l h VAL 260 Ca 0.05 -1.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.31 2r2l h VAL 260 Cb 0.63 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 2r2l h VAL 260 CO 0.05 0.43 0.23 0.40 0.02 0.00 0.00 177.57 178.70 2r2l h ILE 261 N 0.88 1.25 -0.00 4.57 2.04 -1.05 -2.17 117.51 123.02 2r2l h ILE 261 Ca 0.14 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2r2l h ILE 261 Cb 0.63 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2r2l h ILE 261 CO 0.04 0.32 -0.08 0.18 0.00 0.00 0.00 178.15 178.61 2r2l n LEU 262 N -4.37 0.41 -2.77 1.44 4.77 -0.68 -4.92 117.00 110.87 2r2l n LEU 262 Ca 0.04 0.01 -0.21 0.00 -0.03 0.00 0.00 56.01 55.83 2r2l n LEU 262 Cb 0.20 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2r2l n LEU 262 CO 0.40 0.07 -0.01 0.29 -1.33 0.00 0.00 177.39 176.82 2r2l n LYS 263 N -0.94 -4.43 -0.40 3.23 5.02 0.63 -4.90 118.16 116.37 2r2l n LYS 263 Ca 0.16 0.85 0.07 0.00 -2.02 0.00 0.00 58.31 57.37 2r2l n LYS 263 Cb 0.26 -5.57 0.18 0.00 -0.02 0.00 0.00 35.03 29.88 2r2l n LYS 263 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2r2l n LYS 264 N -3.75 1.55 0.06 1.97 4.76 0.55 -4.78 118.16 118.53 2r2l n LYS 264 Ca -0.11 -2.99 0.19 0.00 -2.87 0.00 0.00 58.31 52.52 2r2l n LYS 264 Cb 0.62 -1.60 0.71 0.00 -1.84 0.00 0.00 35.03 32.91 2r2l n LYS 264 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2r2l h GLU 265 N 0.65 0.00 -0.15 1.97 3.07 -1.90 0.78 114.58 119.00 2r2l h GLU 265 Ca 0.02 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.92 2r2l h GLU 265 Cb 1.08 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.98 2r2l h GLU 265 CO 0.04 0.00 0.22 0.00 -1.40 0.00 0.00 179.01 177.87 2r2l h ARG 266 N 0.00 0.00 0.00 2.33 -0.00 -1.93 -1.43 114.38 113.35 2r2l h ARG 266 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.68 2r2l h ARG 266 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.82 2r2l h ARG 266 CO -0.00 0.00 0.00 0.43 0.00 0.00 0.00 179.97 180.40 2r2l n SER 267 N -3.53 0.49 -4.76 7.04 7.64 0.27 -4.66 113.62 116.10 2r2l n SER 267 Ca 0.01 0.72 -0.23 0.00 1.01 0.00 0.00 58.87 60.38 2r2l n SER 267 Cb 0.33 -0.79 -0.05 0.00 -1.01 0.00 0.00 64.21 62.69 2r2l n SER 267 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2r2l s LEU 268 N -4.30 3.60 -0.79 -3.43 1.43 -0.54 -4.83 118.68 109.82 2r2l s LEU 268 Ca -0.02 -0.37 -0.23 0.00 -1.03 0.00 0.00 54.13 52.48 2r2l s LEU 268 Cb 0.06 -2.14 0.06 0.00 0.03 0.00 0.00 46.19 44.19 2r2l s LEU 268 CO 0.18 -0.01 1.18 0.21 0.23 0.00 0.00 176.35 178.14 2r2l s ASN 269 N -3.69 6.30 0.45 2.29 3.84 -1.26 -4.85 114.94 118.01 2r2l s ASN 269 Ca 0.32 -1.06 0.18 0.00 0.21 0.00 0.00 52.86 52.51 2r2l s ASN 269 Cb -0.08 -2.49 1.05 0.00 -0.55 0.00 0.00 41.25 39.18 2r2l s ASN 269 CO 0.23 -1.53 1.95 -0.07 -2.79 0.00 0.00 177.10 174.90 2r2l h LEU 270 N 12.02 0.00 -0.09 3.21 3.38 -1.90 -2.65 115.31 129.27 2r2l h LEU 270 Ca -0.13 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.60 2r2l h LEU 270 Cb 1.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.81 2r2l h LEU 270 CO 1.25 0.23 -0.92 0.11 0.09 0.00 0.00 178.44 179.20 2r2l h LYS 271 N 0.00 0.72 0.00 1.13 1.79 -1.98 0.43 116.57 118.66 2r2l h LYS 271 Ca -0.00 -0.68 -0.11 0.00 -2.18 0.00 0.00 60.65 57.68 2r2l h LYS 271 Cb 0.46 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 2r2l h LYS 271 CO 0.03 1.27 -0.50 0.66 -1.08 0.00 0.00 179.45 179.83 2r2l h SER 272 N 0.45 0.00 -0.17 0.86 4.64 -1.88 -1.68 113.55 115.77 2r2l h SER 272 Ca -0.09 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.11 2r2l h SER 272 Cb 1.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 2r2l h SER 272 CO 0.18 0.50 -0.34 0.25 -0.87 0.00 0.00 176.83 176.56 2r2l h LEU 273 N 0.00 0.60 -0.81 5.97 6.46 -1.39 -1.66 115.31 124.49 2r2l h LEU 273 Ca -0.01 -0.55 -0.01 0.00 -0.12 0.00 0.00 57.88 57.20 2r2l h LEU 273 Cb 0.95 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.67 2r2l h LEU 273 CO 0.07 1.04 0.47 0.25 -0.62 0.00 0.00 178.44 179.65 2r2l h LEU 274 N 0.19 0.98 -0.70 2.25 5.85 -0.69 -1.27 115.31 121.91 2r2l h LEU 274 Ca 0.01 -0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.52 2r2l h LEU 274 Cb 0.93 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2r2l h LEU 274 CO 0.08 0.77 -0.43 -0.61 -0.34 0.00 0.00 178.44 177.90 2r2l h GLN 275 N 1.11 0.49 0.03 1.25 4.15 -1.28 -2.53 115.11 118.33 2r2l h GLN 275 Ca 0.29 -0.26 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 2r2l h GLN 275 Cb -0.02 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.68 2r2l h GLN 275 CO -0.05 0.83 -0.02 2.35 -1.93 0.00 0.00 178.83 180.01 2r2l h TRP 276 N 0.40 -0.04 -0.59 3.99 7.01 -0.81 -2.72 115.95 123.20 2r2l h TRP 276 Ca 0.03 -0.00 -0.09 0.00 2.11 0.00 0.00 58.89 60.94 2r2l h TRP 276 Cb 0.92 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.97 2r2l h TRP 276 CO 0.03 0.23 0.00 -0.24 -2.79 0.00 0.00 178.44 175.67 2r2l h VAL 277 N -0.31 1.26 0.00 2.65 3.04 -1.26 -2.58 116.25 119.05 2r2l h VAL 277 Ca -0.00 -1.13 -0.05 0.00 -1.01 0.00 0.00 66.70 64.50 2r2l h VAL 277 Cb 0.29 0.81 -0.01 0.00 -2.01 0.00 0.00 31.29 30.36 2r2l h VAL 277 CO 0.01 0.41 -0.26 0.71 -1.01 0.00 0.00 177.57 177.43 2r2l h THR 278 N 0.94 1.00 0.00 3.17 1.35 -1.50 -1.37 112.91 116.50 2r2l h THR 278 Ca 0.17 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 2r2l h THR 278 Cb 0.54 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 2r2l h THR 278 CO 0.03 0.25 0.00 0.28 -0.25 0.00 0.00 175.52 175.83 2r2l h SER 279 N 0.00 0.00 1.00 5.36 0.02 -1.13 -3.06 113.55 115.74 2r2l h SER 279 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2r2l h SER 279 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2r2l h SER 279 CO 0.03 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.26 2r2l n ARG 280 N -2.49 0.06 -2.81 3.45 5.12 -0.52 -4.74 116.66 114.74 2r2l n ARG 280 Ca 0.03 0.11 -0.41 0.00 -1.93 0.00 0.00 57.85 55.64 2r2l n ARG 280 Cb 0.32 -1.58 -0.04 0.00 -1.16 0.00 0.00 32.46 30.01 2r2l n ARG 280 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2r2l s GLN 281 N -3.04 4.54 -0.27 5.56 0.74 -1.16 -1.25 119.66 124.79 2r2l s GLN 281 Ca 0.12 1.28 -0.29 0.00 0.05 0.00 0.00 55.36 56.51 2r2l s GLN 281 Cb 0.16 -3.44 0.01 0.00 1.10 0.00 0.00 33.01 30.83 2r2l s GLN 281 CO 0.49 0.02 1.17 -1.64 -0.55 0.00 0.00 175.29 174.78 2r2l s MET 282 N 0.81 4.09 0.37 1.67 -1.94 0.57 -4.92 119.30 119.95 2r2l s MET 282 Ca 0.47 1.28 0.13 0.00 -1.71 0.00 0.00 55.69 55.87 2r2l s MET 282 Cb -0.20 -3.76 0.95 0.00 2.01 0.00 0.00 34.83 33.82 2r2l s MET 282 CO 0.26 -0.88 1.81 0.07 -0.01 0.00 0.00 175.02 176.27 2r2l h ARG 283 N 8.33 0.54 0.00 2.03 0.11 -1.91 0.35 114.38 123.83 2r2l h ARG 283 Ca -0.23 -0.03 -0.07 0.00 0.10 0.00 0.00 59.98 59.75 2r2l h ARG 283 Cb 1.08 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 32.03 2r2l h ARG 283 CO 1.01 0.36 -0.65 0.35 0.10 0.00 0.00 179.97 181.14 2r2l h PHE 284 N 0.55 0.00 -0.12 4.08 3.57 -1.92 -3.40 116.94 119.71 2r2l h PHE 284 Ca 0.54 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.93 2r2l h PHE 284 Cb 1.12 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 2r2l h PHE 284 CO -0.00 0.51 -0.38 0.93 -2.23 0.00 0.00 178.31 177.13 2r2l h GLU 285 N -1.00 0.26 0.00 1.11 3.07 -1.93 -3.47 114.58 112.62 2r2l h GLU 285 Ca -0.11 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 2r2l h GLU 285 Cb 0.72 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 2r2l h GLU 285 CO -0.06 0.61 0.00 0.41 -1.40 0.00 0.00 179.01 178.57 2r2l n GLY 286 N -0.23 2.98 1.79 -3.84 0.00 0.11 -4.46 105.19 101.53 2r2l n GLY 286 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2r2l n GLY 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r2l n GLY 287 N -2.00 0.43 3.64 -0.02 0.00 -1.26 -3.20 105.19 102.78 2r2l n GLY 287 Ca 0.00 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 2r2l n GLY 287 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r2l s PHE 288 N -1.44 2.91 0.26 1.61 0.40 -1.26 -0.31 117.98 120.14 2r2l s PHE 288 Ca 0.31 -0.06 0.04 0.00 -0.60 0.00 0.00 56.93 56.63 2r2l s PHE 288 Cb -0.02 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.96 2r2l s PHE 288 CO 0.21 0.45 0.39 1.14 0.70 0.00 0.00 175.22 178.11 2r2l s GLN 289 N -2.11 3.44 0.21 0.44 -2.07 -0.38 -1.39 119.66 117.79 2r2l s GLN 289 Ca 0.23 -0.71 0.16 0.00 -1.82 0.00 0.00 55.36 53.22 2r2l s GLN 289 Cb -0.11 -2.86 0.00 0.00 -1.09 0.00 0.00 33.01 28.95 2r2l s GLN 289 CO 0.15 0.38 1.22 0.78 -1.32 0.00 0.00 175.29 176.50 2r2l h GLY 290 N 1.10 0.00 -3.14 2.60 0.00 -1.89 -3.46 103.07 98.29 2r2l h GLY 290 Ca -0.52 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 2r2l h GLY 290 CO 0.61 0.00 0.08 1.09 0.00 0.00 0.00 176.54 178.32 2r2l s ARG 291 N -2.98 1.16 0.20 4.80 1.70 -1.26 -0.68 118.95 121.90 2r2l s ARG 291 Ca 0.02 -0.51 -0.32 0.00 -0.47 0.00 0.00 55.73 54.44 2r2l s ARG 291 Cb 0.08 0.53 -0.14 0.00 -0.57 0.00 0.00 34.95 34.85 2r2l s ARG 291 CO 0.77 -0.48 1.39 0.00 -1.08 0.00 0.00 175.30 175.90 2r2l n ASN 293 N 2.38 -4.37 -2.18 0.00 3.02 -1.26 -5.03 115.26 107.81 2r2l n ASN 293 Ca 0.13 0.27 -0.02 0.00 -0.03 0.00 0.00 54.58 54.94 2r2l n ASN 293 Cb 0.29 -2.93 -0.00 0.00 -0.61 0.00 0.00 39.78 36.53 2r2l n ASN 293 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2r2l n LYS 294 N -2.64 1.86 -2.74 3.52 5.02 -0.95 -4.97 118.16 117.26 2r2l n LYS 294 Ca -0.12 -0.25 -0.32 0.00 -2.02 0.00 0.00 58.31 55.61 2r2l n LYS 294 Cb 0.39 0.06 -0.05 0.00 -0.02 0.00 0.00 35.03 35.42 2r2l n LYS 294 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2r2l s LEU 295 N 0.00 3.82 0.69 -0.35 1.43 -1.26 -4.83 118.68 118.17 2r2l s LEU 295 Ca 0.00 1.43 -0.15 0.00 -1.03 0.00 0.00 54.13 54.37 2r2l s LEU 295 Cb -0.00 -4.31 0.02 0.00 0.03 0.00 0.00 46.19 41.93 2r2l s LEU 295 CO 0.00 -0.42 1.17 0.54 0.23 0.00 0.00 176.35 177.87 2r2l s VAL 296 N -2.35 2.69 -0.29 -1.59 0.11 -1.26 -4.02 120.40 113.68 2r2l s VAL 296 Ca 0.57 0.34 -0.13 0.00 -2.93 0.00 0.00 61.98 59.83 2r2l s VAL 296 Cb -0.10 -2.90 0.11 0.00 -1.53 0.00 0.00 36.38 31.96 2r2l s VAL 296 CO 0.25 -0.18 0.70 -0.62 -3.33 0.00 0.00 175.10 171.92 2r2l s ASP 297 N -2.18 -1.01 0.49 3.54 -1.08 -0.49 -4.83 116.67 111.11 2r2l s ASP 297 Ca 0.72 1.48 0.28 0.00 -0.52 0.00 0.00 52.55 54.51 2r2l s ASP 297 Cb -0.26 1.84 1.36 0.00 -1.46 0.00 0.00 42.92 44.41 2r2l s ASP 297 CO 0.42 -0.22 1.82 1.23 0.52 0.00 0.00 175.17 178.95 2r2l h GLY 298 N 7.47 0.43 2.00 2.66 0.00 -1.02 -0.92 103.07 113.69 2r2l h GLY 298 Ca -0.23 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 2r2l h GLY 298 CO 0.13 -0.04 -0.15 0.00 0.00 0.00 0.00 176.54 176.48 2r2l n TYR 300 N -3.49 0.00 0.31 0.00 0.53 -0.35 -2.03 117.16 112.13 2r2l n TYR 300 Ca -0.01 0.00 0.18 0.00 -1.02 0.00 0.00 57.90 57.05 2r2l n TYR 300 Cb 0.31 -0.31 1.01 0.00 -1.03 0.00 0.00 39.34 39.32 2r2l n TYR 300 CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 2r2l h SER 301 N 0.00 0.00 0.00 7.72 0.02 -1.39 -0.87 113.55 119.04 2r2l h SER 301 Ca 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 2r2l h SER 301 Cb 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2r2l h SER 301 CO 0.00 0.02 -1.20 0.33 -1.14 0.00 0.00 176.83 174.83 2r2l n PHE 302 N -3.42 0.00 -0.26 3.45 7.35 -0.86 -3.87 117.46 119.84 2r2l n PHE 302 Ca -0.03 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.72 2r2l n PHE 302 Cb 0.12 -0.55 0.20 0.00 0.35 0.00 0.00 39.48 39.59 2r2l n PHE 302 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 2r2l h TRP 303 N -0.93 0.48 0.00 -5.13 -0.00 -1.54 0.62 115.95 109.46 2r2l h TRP 303 Ca -0.12 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.81 2r2l h TRP 303 Cb 1.05 -0.09 0.00 0.00 -0.00 0.00 0.00 29.16 30.11 2r2l h TRP 303 CO -0.34 0.02 -0.27 1.96 -0.00 0.00 0.00 178.44 179.81 2r2l h GLN 304 N 0.40 0.00 -0.32 0.49 1.08 -1.40 -3.37 115.11 112.00 2r2l h GLN 304 Ca 0.43 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.68 2r2l h GLN 304 Cb 0.68 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.10 2r2l h GLN 304 CO -0.44 0.00 0.22 0.00 -0.95 0.00 0.00 178.83 177.66 2r2l h ALA 305 N -1.02 2.03 0.00 3.87 0.00 -1.55 0.02 119.26 122.61 2r2l h ALA 305 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2r2l h ALA 305 Cb 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2r2l h ALA 305 CO 0.00 -0.09 0.00 0.78 0.00 0.00 0.00 179.25 179.94 2r2l h GLY 306 N 0.21 0.00 2.00 0.00 0.00 0.11 -2.00 103.07 103.39 2r2l h GLY 306 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.35 2r2l h GLY 306 CO -0.02 0.00 -0.59 1.41 0.00 0.00 0.00 176.54 177.34 2r2l h LEU 307 N 0.00 0.00 -0.39 3.11 3.38 -1.13 -3.25 115.31 117.03 2r2l h LEU 307 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2r2l h LEU 307 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2r2l h LEU 307 CO 0.00 0.59 0.20 -0.07 0.09 0.00 0.00 178.44 179.25 2r2l h LEU 308 N 0.00 0.50 -0.60 1.67 -0.00 -1.50 -0.11 115.31 115.27 2r2l h LEU 308 Ca -0.01 -0.11 -0.02 0.00 -0.00 0.00 0.00 57.88 57.74 2r2l h LEU 308 Cb 1.05 -0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 41.55 2r2l h LEU 308 CO 0.08 0.46 0.28 -0.65 -0.00 0.00 0.00 178.44 178.61 2r2l h PRO 309 N 0.50 0.86 -0.74 1.13 0.11 -1.72 0.15 132.00 132.29 2r2l h PRO 309 Ca 0.14 -0.13 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 2r2l h PRO 309 Cb 0.09 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.01 2r2l h PRO 309 CO -0.02 0.70 0.46 -0.07 -0.21 0.00 0.00 178.00 178.86 2r2l h LEU 310 N 0.82 0.89 -0.60 2.35 3.38 -1.54 -1.23 115.31 119.38 2r2l h LEU 310 Ca 0.20 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 2r2l h LEU 310 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2r2l h LEU 310 CO -0.02 0.68 -0.34 -0.07 0.09 0.00 0.00 178.44 178.78 2r2l h LEU 311 N 1.01 0.78 -0.44 1.67 3.38 -0.67 -1.53 115.31 119.51 2r2l h LEU 311 Ca 0.27 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2r2l h LEU 311 Cb -0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2r2l h LEU 311 CO -0.05 1.05 0.25 -0.74 0.09 0.00 0.00 178.44 179.03 2r2l h HIS 312 N 0.62 0.59 -0.34 1.13 2.76 -0.28 0.18 115.15 119.82 2r2l h HIS 312 Ca 0.06 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 2r2l h HIS 312 Cb 0.87 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.63 2r2l h HIS 312 CO 0.04 0.43 0.15 -0.09 -1.30 0.00 0.00 177.93 177.16 2r2l h ARG 313 N 0.57 0.49 -0.15 5.26 2.43 -1.11 -0.57 114.38 121.30 2r2l h ARG 313 Ca 0.15 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2r2l h ARG 313 Cb 0.03 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2r2l h ARG 313 CO -0.03 0.47 0.07 0.00 -1.51 0.00 0.00 179.97 178.97 2r2l h ALA 314 N 1.00 0.19 -0.48 2.80 0.00 -1.00 -0.83 119.26 120.94 2r2l h ALA 314 Ca 0.11 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2r2l h ALA 314 Cb 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2r2l h ALA 314 CO -0.01 -0.23 0.01 -0.07 0.00 0.00 0.00 179.25 178.94 2r2l h LEU 315 N 0.10 0.75 -1.08 0.00 3.38 -0.92 -2.20 115.31 115.34 2r2l h LEU 315 Ca 0.05 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 2r2l h LEU 315 Cb 0.14 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2r2l h LEU 315 CO -0.01 0.82 -0.09 -0.74 0.09 0.00 0.00 178.44 178.51 2r2l h HIS 316 N 0.74 0.58 -0.18 1.13 2.76 -0.91 -1.12 115.15 118.15 2r2l h HIS 316 Ca 0.15 -0.08 -0.06 0.00 -2.20 0.00 0.00 60.37 58.18 2r2l h HIS 316 Cb 0.44 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 2r2l h HIS 316 CO 0.02 0.63 -0.14 0.00 -1.30 0.00 0.00 177.93 177.14 2r2l h ALA 317 N 1.40 1.44 -0.17 5.26 0.00 -0.53 0.36 119.26 127.02 2r2l h ALA 317 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2r2l h ALA 317 Cb 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2r2l h ALA 317 CO 0.03 0.39 0.00 1.04 0.00 0.00 0.00 179.25 180.71 2r2l n GLN 318 N -4.25 1.39 -2.34 0.00 6.02 -0.77 -4.88 117.38 112.55 2r2l n GLN 318 Ca -0.00 -0.61 -0.13 0.00 -0.01 0.00 0.00 57.00 56.25 2r2l n GLN 318 Cb 0.29 -1.13 -0.00 0.00 1.02 0.00 0.00 30.24 30.41 2r2l n GLN 318 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2r2l n GLY 319 N 0.77 -0.13 3.67 1.08 0.00 0.12 -4.95 105.19 105.74 2r2l n GLY 319 Ca 0.06 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 2r2l n GLY 319 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2r2l s ASP 320 N -2.51 6.55 0.30 1.61 3.68 -0.50 -4.89 116.67 120.92 2r2l s ASP 320 Ca 0.04 2.49 0.20 0.00 2.13 0.00 0.00 52.55 57.41 2r2l s ASP 320 Cb -0.02 -2.54 0.14 0.00 -1.45 0.00 0.00 42.92 39.05 2r2l s ASP 320 CO 0.05 -0.97 1.36 1.55 0.13 0.00 0.00 175.17 177.29 2r2l h PRO 321 N 9.62 0.00 -0.00 4.34 0.13 -1.92 -3.36 132.00 140.81 2r2l h PRO 321 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2r2l h PRO 321 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2r2l h PRO 321 CO 0.94 0.18 -0.05 0.00 -0.23 0.00 0.00 178.00 178.84 2r2l n ALA 322 N -2.18 2.69 -1.76 -0.56 0.00 -1.26 -4.93 120.51 112.51 2r2l n ALA 322 Ca 0.01 -0.28 -0.39 0.00 0.00 0.00 0.00 53.44 52.78 2r2l n ALA 322 Cb 0.63 -1.36 0.03 0.00 0.00 0.00 0.00 19.45 18.75 2r2l n ALA 322 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2r2l s LEU 323 N -2.24 3.96 0.88 0.00 1.43 -1.26 -4.99 118.68 116.46 2r2l s LEU 323 Ca 0.36 2.78 -0.11 0.00 -1.03 0.00 0.00 54.13 56.13 2r2l s LEU 323 Cb 0.21 -4.15 0.12 0.00 0.03 0.00 0.00 46.19 42.40 2r2l s LEU 323 CO 0.41 -1.38 1.10 -0.55 0.23 0.00 0.00 176.35 176.16 2r2l s SER 324 N -0.83 3.55 -0.08 2.29 0.15 -1.26 -4.98 113.70 112.54 2r2l s SER 324 Ca 0.67 1.71 0.12 0.00 0.70 0.00 0.00 55.95 59.15 2r2l s SER 324 Cb -0.41 -2.35 0.18 0.00 -1.71 0.00 0.00 66.02 61.73 2r2l s SER 324 CO 0.50 -2.62 1.08 0.23 1.20 0.00 0.00 173.24 173.62 2r2l n MET 325 N -3.89 1.67 0.00 5.44 0.00 -1.26 -4.76 117.12 114.32 2r2l n MET 325 Ca 0.08 -2.11 0.00 0.00 0.00 0.00 0.00 57.70 55.67 2r2l n MET 325 Cb 0.54 -1.26 0.00 0.00 0.00 0.00 0.00 33.22 32.50 2r2l n MET 325 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2r2l n SER 326 N -1.04 0.00 -4.17 7.83 3.41 -1.26 -4.74 113.62 113.65 2r2l n SER 326 Ca 0.10 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.57 2r2l n SER 326 Cb 0.53 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.37 2r2l n SER 326 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2r2l s HIS 327 N -0.69 1.03 0.74 7.33 3.76 -1.26 -4.68 115.29 121.52 2r2l s HIS 327 Ca 0.00 -0.67 -0.11 0.00 -0.15 0.00 0.00 55.06 54.12 2r2l s HIS 327 Cb 0.00 -0.57 0.03 0.00 1.11 0.00 0.00 32.58 33.16 2r2l s HIS 327 CO 0.00 -0.02 1.09 -1.58 -0.85 0.00 0.00 174.74 173.38 2r2l s TRP 328 N -2.52 3.12 -0.98 1.40 0.23 -1.26 -4.67 118.94 114.26 2r2l s TRP 328 Ca 0.05 1.14 -0.07 0.00 -2.03 0.00 0.00 56.10 55.20 2r2l s TRP 328 Cb -0.02 -3.06 -0.03 0.00 0.03 0.00 0.00 33.47 30.39 2r2l s TRP 328 CO -0.00 -1.40 2.89 -1.33 0.96 0.00 0.00 176.95 178.06 2r2l n MET 329 N -3.18 3.38 -3.43 4.98 2.81 -1.26 -4.79 117.12 115.63 2r2l n MET 329 Ca 0.07 -2.37 -0.12 0.00 -1.81 0.00 0.00 57.70 53.47 2r2l n MET 329 Cb 0.56 -2.46 -0.02 0.00 -0.71 0.00 0.00 33.22 30.59 2r2l n MET 329 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 2r2l s PHE 330 N 0.17 -0.54 -0.89 2.03 -0.12 -1.26 -4.82 117.98 112.55 2r2l s PHE 330 Ca 0.62 0.37 -0.25 0.00 -0.05 0.00 0.00 56.93 57.63 2r2l s PHE 330 Cb 0.25 0.55 -0.00 0.00 -0.63 0.00 0.00 43.02 43.19 2r2l s PHE 330 CO -0.09 -0.83 1.69 -1.58 -0.05 0.00 0.00 175.22 174.35 2r2l s HIS 331 N -3.61 2.09 0.26 3.49 5.65 -1.26 -4.82 115.29 117.09 2r2l s HIS 331 Ca 0.00 0.06 -0.04 0.00 0.25 0.00 0.00 55.06 55.34 2r2l s HIS 331 Cb -0.01 -4.35 0.37 0.00 -1.18 0.00 0.00 32.58 27.42 2r2l s HIS 331 CO -0.12 -1.93 1.88 1.96 -0.65 0.00 0.00 174.74 175.88 2r2l h GLN 332 N 11.12 1.10 -0.09 2.88 4.20 -1.89 -2.28 115.11 130.14 2r2l h GLN 332 Ca 0.04 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2r2l h GLN 332 Cb 1.03 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 2r2l h GLN 332 CO 1.30 0.73 0.00 0.37 -0.67 0.00 0.00 178.83 180.55 2r2l h GLN 333 N 1.13 0.17 -0.81 1.46 4.15 -1.88 -2.40 115.11 116.93 2r2l h GLN 333 Ca 0.41 -0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.82 2r2l h GLN 333 Cb 0.14 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.76 2r2l h GLN 333 CO -0.16 0.42 0.51 0.00 -1.93 0.00 0.00 178.83 177.67 2r2l h ALA 334 N 0.74 1.07 -0.33 3.38 0.00 -1.83 -1.36 119.26 120.93 2r2l h ALA 334 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2r2l h ALA 334 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2r2l h ALA 334 CO 0.00 0.30 0.15 1.25 0.00 0.00 0.00 179.25 180.96 2r2l h LEU 335 N 0.98 0.44 -1.37 0.00 5.85 -1.36 -1.05 115.31 118.79 2r2l h LEU 335 Ca 0.33 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 2r2l h LEU 335 Cb 0.05 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2r2l h LEU 335 CO -0.13 0.46 0.17 1.56 -0.34 0.00 0.00 178.44 180.16 2r2l h GLN 336 N 0.39 0.60 -0.38 1.25 4.20 -1.06 -1.51 115.11 118.60 2r2l h GLN 336 Ca 0.11 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 2r2l h GLN 336 Cb 0.15 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2r2l h GLN 336 CO -0.01 0.50 -0.21 0.93 -0.67 0.00 0.00 178.83 179.37 2r2l h GLU 337 N 0.60 0.81 -0.19 1.46 5.08 -0.80 0.32 114.58 121.86 2r2l h GLU 337 Ca 0.15 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2r2l h GLU 337 Cb 0.12 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2r2l h GLU 337 CO -0.01 0.99 0.10 -0.92 -1.00 0.00 0.00 179.01 178.17 2r2l h TYR 338 N 0.61 0.27 -0.19 4.33 3.20 -0.71 -1.25 116.97 123.23 2r2l h TYR 338 Ca 0.08 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2r2l h TYR 338 Cb 0.77 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 2r2l h TYR 338 CO 0.06 0.27 0.07 0.82 -1.64 0.00 0.00 178.16 177.73 2r2l h ILE 339 N 0.20 1.17 -0.43 1.81 2.04 -1.22 0.97 117.51 122.04 2r2l h ILE 339 Ca 0.07 -0.54 -0.14 0.00 1.00 0.00 0.00 64.86 65.25 2r2l h ILE 339 Cb 0.09 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2r2l h ILE 339 CO -0.01 0.17 -0.27 -0.07 0.00 0.00 0.00 178.15 177.97 2r2l h LEU 340 N 0.14 0.99 0.11 1.44 3.38 -0.87 -2.23 115.31 118.26 2r2l h LEU 340 Ca 0.06 -0.42 -0.33 0.00 0.09 0.00 0.00 57.88 57.28 2r2l h LEU 340 Cb 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2r2l h LEU 340 CO -0.00 1.20 -1.77 0.24 0.09 0.00 0.00 178.44 178.19 2r2l h MET 341 N 0.78 0.22 0.00 1.13 2.86 -1.28 -3.41 114.93 115.23 2r2l h MET 341 Ca 0.09 -0.38 -0.09 0.00 -2.06 0.00 0.00 59.70 57.26 2r2l h MET 341 Cb 0.85 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 2r2l h MET 341 CO 0.08 1.05 -1.95 0.00 1.06 0.00 0.00 176.91 177.15 2r2l s GLN 344 N -1.13 3.65 -0.16 0.00 -0.21 -1.24 -0.36 119.66 120.21 2r2l s GLN 344 Ca 0.38 -0.17 -0.20 0.00 0.02 0.00 0.00 55.36 55.38 2r2l s GLN 344 Cb 0.20 -3.24 -0.03 0.00 1.00 0.00 0.00 33.01 30.94 2r2l s GLN 344 CO 0.27 0.62 0.58 0.00 -2.12 0.00 0.00 175.29 174.65 2r2l h PRO 346 N 7.16 0.54 0.00 0.00 0.11 -1.97 0.55 132.00 138.40 2r2l h PRO 346 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2r2l h PRO 346 Cb 1.16 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2r2l h PRO 346 CO 0.76 0.36 0.00 0.00 -0.21 0.00 0.00 178.00 178.91 2r2l n ALA 347 N -2.36 2.37 0.00 -0.75 0.00 -1.26 -4.96 120.51 113.55 2r2l n ALA 347 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2r2l n ALA 347 Cb 0.70 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.87 2r2l n ALA 347 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r2l n GLY 348 N 0.45 2.35 0.00 0.00 0.00 0.19 -4.82 105.19 103.37 2r2l n GLY 348 Ca 0.13 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2r2l n GLY 348 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r2l n GLY 349 N 1.65 2.12 3.61 -0.02 0.00 -1.26 -4.62 105.19 106.67 2r2l n GLY 349 Ca 0.00 -1.92 -0.28 0.00 0.00 0.00 0.00 46.02 43.83 2r2l n GLY 349 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2r2l s LEU 350 N 0.00 2.68 0.31 0.99 1.02 -1.26 -0.62 118.68 121.80 2r2l s LEU 350 Ca 0.00 -1.41 -0.09 0.00 0.02 0.00 0.00 54.13 52.65 2r2l s LEU 350 Cb 0.00 -0.78 0.01 0.00 0.02 0.00 0.00 46.19 45.44 2r2l s LEU 350 CO 0.00 -0.53 0.53 -1.48 0.02 0.00 0.00 176.35 174.89 2r2l s LEU 351 N -3.69 0.54 0.00 1.79 0.05 0.51 -3.24 118.68 114.64 2r2l s LEU 351 Ca 0.31 -1.19 0.00 0.00 0.05 0.00 0.00 54.13 53.31 2r2l s LEU 351 Cb 0.09 1.83 0.00 0.00 -2.05 0.00 0.00 46.19 46.06 2r2l s LEU 351 CO 0.16 -1.30 0.97 -0.67 -0.55 0.00 0.00 176.35 174.96 2r2l n ASP 352 N -0.97 0.00 -3.88 1.48 2.03 -1.26 -4.29 116.55 109.66 2r2l n ASP 352 Ca -0.02 0.97 -0.09 0.00 0.52 0.00 0.00 54.79 56.17 2r2l n ASP 352 Cb 0.61 -0.47 -0.06 0.00 -0.72 0.00 0.00 41.12 40.49 2r2l n ASP 352 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2r2l s LYS 353 N -2.87 1.26 0.15 -0.67 -2.85 -1.26 -0.57 119.74 112.92 2r2l s LYS 353 Ca 0.00 -1.06 -0.34 0.00 -1.00 0.00 0.00 55.97 53.57 2r2l s LYS 353 Cb 0.00 0.43 -0.15 0.00 -2.06 0.00 0.00 37.83 36.05 2r2l s LYS 353 CO 0.00 -0.49 1.34 -2.30 0.10 0.00 0.00 175.35 174.00 2r2l n PRO 354 N -0.27 1.48 0.00 1.78 -0.02 -1.25 -1.58 135.00 135.15 2r2l n PRO 354 Ca -0.08 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2r2l n PRO 354 Cb 0.63 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2r2l n PRO 354 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r2l n GLY 355 N 2.48 1.99 3.93 -1.23 0.00 -1.26 -5.06 105.19 106.03 2r2l n GLY 355 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 2r2l n GLY 355 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r2l s LYS 356 N -0.91 3.29 0.31 1.61 -0.14 -0.61 -5.08 119.74 118.21 2r2l s LYS 356 Ca 0.00 -0.18 -0.15 0.00 -1.36 0.00 0.00 55.97 54.28 2r2l s LYS 356 Cb 0.00 -2.49 -0.09 0.00 -1.68 0.00 0.00 37.83 33.57 2r2l s LYS 356 CO 0.00 -0.20 0.73 -1.12 -0.76 0.00 0.00 175.35 174.00 2r2l s SER 357 N -4.15 6.80 0.71 2.83 0.01 -1.26 -4.91 113.70 113.73 2r2l s SER 357 Ca 0.47 1.29 -0.12 0.00 1.31 0.00 0.00 55.95 58.90 2r2l s SER 357 Cb -0.10 -2.37 0.02 0.00 0.21 0.00 0.00 66.02 63.78 2r2l s SER 357 CO 0.41 -0.18 1.08 0.00 0.41 0.00 0.00 173.24 174.95 2r2l s ARG 358 N -2.88 2.69 0.02 12.44 1.70 -1.26 -4.66 118.95 127.01 2r2l s ARG 358 Ca 0.53 1.10 -0.28 0.00 -0.47 0.00 0.00 55.73 56.62 2r2l s ARG 358 Cb -0.11 -1.95 0.10 0.00 -0.57 0.00 0.00 34.95 32.41 2r2l s ARG 358 CO 0.18 -1.30 0.83 0.16 -1.08 0.00 0.00 175.30 174.09 2r2l s ASP 359 N -3.43 -0.41 0.46 -2.89 1.47 -1.20 -5.04 116.67 105.64 2r2l s ASP 359 Ca 0.61 0.02 0.21 0.00 1.18 0.00 0.00 52.55 54.57 2r2l s ASP 359 Cb -0.16 0.43 1.14 0.00 -0.34 0.00 0.00 42.92 43.99 2r2l s ASP 359 CO 0.52 -0.69 1.98 -0.26 0.68 0.00 0.00 175.17 177.40 2r2l h PHE 360 N 2.03 0.00 0.10 2.11 -1.00 -1.97 -2.00 116.94 116.20 2r2l h PHE 360 Ca -0.25 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.53 2r2l h PHE 360 Cb 1.25 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.81 2r2l h PHE 360 CO 0.25 0.20 -0.05 -0.92 -1.61 0.00 0.00 178.31 176.19 2r2l h TYR 361 N 0.00 -0.12 -0.05 -0.55 3.20 -1.94 -1.80 116.97 115.71 2r2l h TYR 361 Ca -0.00 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 2r2l h TYR 361 Cb 0.44 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 2r2l h TYR 361 CO 0.00 0.18 -0.41 0.45 -1.64 0.00 0.00 178.16 176.75 2r2l h HIS 362 N -0.43 0.13 -0.41 -3.82 3.86 -1.80 -1.88 115.15 110.80 2r2l h HIS 362 Ca -0.01 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 2r2l h HIS 362 Cb 0.36 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 2r2l h HIS 362 CO 0.02 0.50 0.16 1.15 0.86 0.00 0.00 177.93 180.63 2r2l h THR 363 N 0.09 1.20 0.25 2.45 2.02 -1.30 0.19 112.91 117.81 2r2l h THR 363 Ca 0.01 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 2r2l h THR 363 Cb 0.76 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2r2l h THR 363 CO 0.06 0.22 -0.12 0.00 0.37 0.00 0.00 175.52 176.05 2r2l h TYR 365 N -0.41 0.00 -0.47 0.00 -1.99 -1.29 -0.48 116.97 112.33 2r2l h TYR 365 Ca -0.03 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.59 2r2l h TYR 365 Cb 0.31 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.03 2r2l h TYR 365 CO -0.04 0.68 -0.13 0.00 -0.00 0.00 0.00 178.16 178.67 2r2l h LEU 367 N 0.76 0.92 -0.48 0.00 3.38 -1.42 -1.21 115.31 117.27 2r2l h LEU 367 Ca 0.12 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2r2l h LEU 367 Cb 0.69 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2r2l h LEU 367 CO 0.05 1.12 0.31 0.28 0.09 0.00 0.00 178.44 180.28 2r2l h SER 368 N 0.73 0.55 -0.32 -0.43 0.02 -0.95 -1.10 113.55 112.05 2r2l h SER 368 Ca 0.10 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 2r2l h SER 368 Cb 0.76 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 2r2l h SER 368 CO 0.06 0.42 -0.04 1.23 -1.14 0.00 0.00 176.83 177.36 2r2l h GLY 369 N 0.64 0.75 0.92 -3.77 0.00 -0.98 -1.81 103.07 98.81 2r2l h GLY 369 Ca 0.17 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 2r2l h GLY 369 CO -0.04 0.47 0.12 -2.00 0.00 0.00 0.00 176.54 175.09 2r2l h LEU 370 N 0.65 0.47 -0.23 3.11 5.85 -0.57 -0.35 115.31 124.24 2r2l h LEU 370 Ca 0.13 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.69 2r2l h LEU 370 Cb 0.46 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2r2l h LEU 370 CO 0.02 0.53 0.05 -1.28 -0.34 0.00 0.00 178.44 177.42 2r2l h SER 371 N 0.39 0.01 -0.73 1.25 0.87 -0.98 0.12 113.55 114.48 2r2l h SER 371 Ca 0.11 0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.76 2r2l h SER 371 Cb 0.22 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.17 2r2l h SER 371 CO -0.01 0.04 0.44 0.40 -0.53 0.00 0.00 176.83 177.17 2r2l h ILE 372 N 0.14 1.03 0.00 2.23 2.04 -1.11 -0.97 117.51 120.86 2r2l h ILE 372 Ca 0.11 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 2r2l h ILE 372 Cb 0.10 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 2r2l h ILE 372 CO -0.14 0.15 -0.22 0.00 0.00 0.00 0.00 178.15 177.94 2r2l h ALA 373 N 1.35 1.31 0.16 1.87 0.00 -0.21 -3.14 119.26 120.61 2r2l h ALA 373 Ca 0.32 -0.20 -0.32 0.00 0.00 0.00 0.00 54.91 54.71 2r2l h ALA 373 Cb 0.13 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.89 2r2l h ALA 373 CO -0.16 0.27 -1.53 1.96 0.00 0.00 0.00 179.25 179.79 2r2l h GLN 374 N 0.00 0.34 -4.92 0.00 4.20 -0.03 -3.43 115.11 111.28 2r2l h GLN 374 Ca -0.00 -0.58 -0.67 0.00 0.06 0.00 0.00 58.65 57.46 2r2l h GLN 374 Cb 0.49 0.22 -0.27 0.00 0.30 0.00 0.00 27.48 28.22 2r2l h GLN 374 CO 0.03 1.24 -0.69 -1.01 -0.67 0.00 0.00 178.83 177.73 2r2l s HIS 375 N -2.61 3.05 0.06 2.96 3.76 -0.46 -0.59 115.29 121.45 2r2l s HIS 375 Ca -0.10 -1.01 0.03 0.00 -0.15 0.00 0.00 55.06 53.83 2r2l s HIS 375 Cb 0.06 -2.16 -0.04 0.00 1.11 0.00 0.00 32.58 31.56 2r2l s HIS 375 CO 0.88 -0.57 0.05 0.12 -0.85 0.00 0.00 174.74 174.37 2r2l s PHE 376 N 1.47 3.14 -0.29 1.40 5.36 -0.23 -4.82 117.98 124.02 2r2l s PHE 376 Ca 0.04 0.07 -0.16 0.00 -0.96 0.00 0.00 56.93 55.92 2r2l s PHE 376 Cb -0.16 -1.63 0.14 0.00 -0.34 0.00 0.00 43.02 41.04 2r2l s PHE 376 CO -0.01 0.51 0.96 0.20 -1.46 0.00 0.00 175.22 175.42 2r2l s GLY 377 N -2.16 -0.05 -0.28 13.12 0.00 -1.26 -2.17 107.32 114.52 2r2l s GLY 377 Ca 0.26 3.10 0.02 0.00 0.00 0.00 0.00 44.72 48.10 2r2l s GLY 377 CO 0.18 2.63 0.44 -0.45 0.00 0.00 0.00 173.10 175.90 2r2l s SER 378 N 1.43 -0.01 1.28 1.64 0.15 -0.54 -5.02 113.70 112.63 2r2l s SER 378 Ca -0.09 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.39 2r2l s SER 378 Cb -0.04 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.56 2r2l s SER 378 CO -0.15 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.56 2r2l n GLY 379 N 5.37 2.59 0.00 9.45 0.00 -1.26 -2.57 105.19 118.77 2r2l n GLY 379 Ca 0.01 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.82 2r2l n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r2l n ALA 380 N 10.20 3.29 -2.71 4.61 0.00 -1.26 -4.87 120.51 129.76 2r2l n ALA 380 Ca 0.00 -0.30 -0.39 0.00 0.00 0.00 0.00 53.44 52.75 2r2l n ALA 380 Cb 0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.20 2r2l n ALA 380 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2r2l s MET 381 N -2.99 4.41 -0.01 0.00 1.00 -1.06 -5.06 119.30 115.58 2r2l s MET 381 Ca 0.12 0.75 0.03 0.00 0.00 0.00 0.00 55.69 56.58 2r2l s MET 381 Cb 0.18 -3.44 -0.00 0.00 0.00 0.00 0.00 34.83 31.56 2r2l s MET 381 CO 0.66 0.10 -0.09 -0.51 0.00 0.00 0.00 175.02 175.19 2r2l s LEU 382 N 0.71 1.97 -0.29 -0.03 2.01 -1.26 -1.47 118.68 120.32 2r2l s LEU 382 Ca 0.34 -0.17 -0.13 0.00 0.01 0.00 0.00 54.13 54.18 2r2l s LEU 382 Cb -0.17 -0.48 0.11 0.00 0.01 0.00 0.00 46.19 45.65 2r2l s LEU 382 CO 0.16 0.10 0.68 -2.28 1.01 0.00 0.00 176.35 176.02 2r2l s HIS 383 N -0.13 -1.20 0.10 0.29 2.46 -0.92 -5.00 115.29 110.89 2r2l s HIS 383 Ca 0.02 2.22 0.04 0.00 0.47 0.00 0.00 55.06 57.81 2r2l s HIS 383 Cb -0.05 0.72 -0.04 0.00 -0.13 0.00 0.00 32.58 33.08 2r2l s HIS 383 CO -0.00 -0.59 0.08 -0.51 -2.47 0.00 0.00 174.74 171.24 2r2l s ASP 384 N 2.26 5.44 -0.26 9.88 -0.00 -1.26 -1.07 116.67 131.66 2r2l s ASP 384 Ca -0.08 -0.06 -0.03 0.00 -0.00 0.00 0.00 52.55 52.38 2r2l s ASP 384 Cb -0.08 -1.43 0.08 0.00 -0.00 0.00 0.00 42.92 41.49 2r2l s ASP 384 CO -0.19 0.15 0.08 -0.69 -0.00 0.00 0.00 175.17 174.52 2r2l s VAL 385 N -1.45 0.43 -0.35 -1.27 1.01 0.24 -5.01 120.40 114.00 2r2l s VAL 385 Ca 0.29 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 2r2l s VAL 385 Cb -0.12 -1.19 0.08 0.00 0.00 0.00 0.00 36.38 35.16 2r2l s VAL 385 CO 0.22 -0.50 0.09 -0.69 0.00 0.00 0.00 175.10 174.21 2r2l s VAL 386 N 1.87 2.96 0.44 2.92 1.01 -1.26 -4.19 120.40 124.15 2r2l s VAL 386 Ca 0.05 -1.82 -0.21 0.00 0.00 0.00 0.00 61.98 60.00 2r2l s VAL 386 Cb -0.17 -2.92 -0.10 0.00 0.00 0.00 0.00 36.38 33.20 2r2l s VAL 386 CO -0.21 -0.42 0.98 -0.04 0.00 0.00 0.00 175.10 175.41 2r2l s MET 387 N 1.14 4.10 2.43 2.72 -1.94 -1.26 -4.83 119.30 121.67 2r2l s MET 387 Ca 0.03 1.22 0.00 0.00 -1.71 0.00 0.00 55.69 55.23 2r2l s MET 387 Cb -0.21 -2.19 0.00 0.00 2.01 0.00 0.00 34.83 34.44 2r2l s MET 387 CO -0.04 -0.15 0.00 0.41 -0.01 0.00 0.00 175.02 175.23 2r2l n GLY 388 N -0.43 -0.98 3.76 -0.03 0.00 -1.26 -4.83 105.19 101.43 2r2l n GLY 388 Ca 0.07 -1.21 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 2r2l n GLY 388 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2r2l s VAL 389 N 0.00 3.05 0.62 1.61 -7.23 -0.85 -4.90 120.40 112.70 2r2l s VAL 389 Ca 0.00 1.06 0.27 0.00 -1.81 0.00 0.00 61.98 61.50 2r2l s VAL 389 Cb 0.00 -3.67 0.33 0.00 0.56 0.00 0.00 36.38 33.60 2r2l s VAL 389 CO 0.00 0.25 1.82 1.55 -0.31 0.00 0.00 175.10 178.40 2r2l h PRO 390 N 3.55 0.00 0.00 4.82 0.13 -1.88 0.34 132.00 138.95 2r2l h PRO 390 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2r2l h PRO 390 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2r2l h PRO 390 CO 0.66 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.82 2r2l n GLU 391 N -3.33 0.21 0.18 0.86 4.71 -1.26 -2.27 120.64 119.74 2r2l n GLU 391 Ca 0.05 0.14 0.14 0.00 -0.01 0.00 0.00 57.16 57.48 2r2l n GLU 391 Cb 0.64 -1.50 0.43 0.00 -1.01 0.00 0.00 31.44 30.00 2r2l n GLU 391 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 2r2l h ASN 392 N 0.00 0.00 -2.90 1.62 -0.26 -0.64 -3.46 115.58 109.94 2r2l h ASN 392 Ca 0.00 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 55.22 2r2l h ASN 392 Cb 0.09 0.00 0.05 0.00 -1.06 0.00 0.00 38.32 37.40 2r2l h ASN 392 CO 0.00 0.00 0.87 0.54 -1.06 0.00 0.00 177.43 177.78 2r2l s VAL 393 N -3.31 2.59 0.31 2.81 0.11 -0.96 -4.97 120.40 116.98 2r2l s VAL 393 Ca 0.06 0.44 0.07 0.00 -2.93 0.00 0.00 61.98 59.62 2r2l s VAL 393 Cb 0.09 -3.28 -0.03 0.00 -1.53 0.00 0.00 36.38 31.63 2r2l s VAL 393 CO 0.56 0.04 0.26 -0.76 -3.33 0.00 0.00 175.10 171.87 2r2l s LEU 394 N 0.92 3.64 0.47 2.54 1.43 -1.26 -5.05 118.68 121.37 2r2l s LEU 394 Ca 0.69 -0.44 -0.23 0.00 -1.03 0.00 0.00 54.13 53.11 2r2l s LEU 394 Cb -0.44 -2.23 -0.07 0.00 0.03 0.00 0.00 46.19 43.49 2r2l s LEU 394 CO 0.33 -0.27 1.25 -1.10 0.23 0.00 0.00 176.35 176.79 2r2l s GLN 395 N -3.95 3.66 0.76 1.70 -1.52 -0.85 -4.97 119.66 114.49 2r2l s GLN 395 Ca 0.39 2.00 -0.12 0.00 -1.95 0.00 0.00 55.36 55.67 2r2l s GLN 395 Cb -0.06 -2.47 0.05 0.00 -0.22 0.00 0.00 33.01 30.31 2r2l s GLN 395 CO 0.26 -0.69 1.12 -1.25 -0.25 0.00 0.00 175.29 174.47 2r2l s PRO 396 N -2.62 2.20 0.03 2.91 0.04 -1.26 -4.83 135.00 131.47 2r2l s PRO 396 Ca 0.64 1.34 0.05 0.00 0.04 0.00 0.00 61.00 63.07 2r2l s PRO 396 Cb -0.34 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 2r2l s PRO 396 CO 0.42 -1.71 -0.14 -0.08 0.04 0.00 0.00 177.00 175.52 2r2l s THR 397 N -2.63 1.13 -0.13 1.26 -1.32 -1.26 -4.32 115.64 108.37 2r2l s THR 397 Ca 0.65 -0.94 -0.29 0.00 -1.21 0.00 0.00 61.69 59.89 2r2l s THR 397 Cb -0.20 -1.01 -0.02 0.00 -1.51 0.00 0.00 72.50 69.76 2r2l s THR 397 CO 0.51 0.06 1.16 -2.28 -2.21 0.00 0.00 174.62 171.87 2r2l s HIS 398 N -0.77 3.15 0.59 9.09 2.46 -0.28 -4.80 115.29 124.73 2r2l s HIS 398 Ca 0.02 1.25 0.29 0.00 0.47 0.00 0.00 55.06 57.09 2r2l s HIS 398 Cb -0.07 -3.39 1.72 0.00 -0.13 0.00 0.00 32.58 30.70 2r2l s HIS 398 CO 0.01 -1.13 2.16 -1.00 -2.47 0.00 0.00 174.74 172.31 2r2l h PRO 399 N 7.65 0.00 0.00 2.88 0.13 -1.93 0.42 132.00 141.15 2r2l h PRO 399 Ca -0.28 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.75 2r2l h PRO 399 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2r2l h PRO 399 CO 0.92 0.00 -0.53 0.28 -0.23 0.00 0.00 178.00 178.44 2r2l h VAL 400 N 0.00 1.36 0.00 1.56 2.07 -1.92 -3.41 116.25 115.91 2r2l h VAL 400 Ca 0.05 -2.23 -0.10 0.00 0.82 0.00 0.00 66.70 65.24 2r2l h VAL 400 Cb 0.29 2.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 2r2l h VAL 400 CO -0.00 0.46 -1.62 -1.22 0.02 0.00 0.00 177.57 175.21 2r2l n TYR 401 N -4.54 0.55 -3.24 1.57 4.02 -1.20 -4.98 117.16 109.33 2r2l n TYR 401 Ca -0.19 0.17 -0.15 0.00 -0.01 0.00 0.00 57.90 57.72 2r2l n TYR 401 Cb 0.55 -0.87 0.08 0.00 -0.02 0.00 0.00 39.34 39.08 2r2l n TYR 401 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2r2l n ASN 402 N -2.63 -2.47 -3.89 7.72 5.15 0.15 -5.01 115.26 114.28 2r2l n ASN 402 Ca -0.09 -0.56 -0.09 0.00 -0.60 0.00 0.00 54.58 53.25 2r2l n ASN 402 Cb 0.73 -4.61 -0.08 0.00 -0.53 0.00 0.00 39.78 35.29 2r2l n ASN 402 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2r2l s ILE 403 N -3.32 0.15 0.26 -1.44 -4.36 -1.26 -4.88 121.20 106.35 2r2l s ILE 403 Ca 0.04 -1.28 -0.29 0.00 -0.26 0.00 0.00 60.65 58.86 2r2l s ILE 403 Cb -0.01 -1.39 -0.14 0.00 1.25 0.00 0.00 42.46 42.17 2r2l s ILE 403 CO 0.65 -0.68 1.02 0.61 0.24 0.00 0.00 174.94 176.77 2r2l n GLY 404 N -0.04 -0.27 0.37 6.27 0.00 -1.26 -1.13 105.19 109.13 2r2l n GLY 404 Ca -0.15 0.37 0.11 0.00 0.00 0.00 0.00 46.02 46.36 2r2l n GLY 404 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2r2l h PRO 405 N 2.22 0.64 -0.66 1.61 0.11 -1.87 -0.43 132.00 133.61 2r2l h PRO 405 Ca -0.40 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.61 2r2l h PRO 405 Cb 1.34 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2r2l h PRO 405 CO 0.62 0.42 0.15 0.38 -0.21 0.00 0.00 178.00 179.36 2r2l h ASP 406 N 0.66 1.00 0.14 -2.05 2.03 -1.93 -2.27 116.42 114.01 2r2l h ASP 406 Ca 0.41 -0.21 -0.09 0.00 -0.73 0.00 0.00 57.03 56.41 2r2l h ASP 406 Cb 0.65 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 38.88 2r2l h ASP 406 CO -0.17 0.98 -0.31 0.11 -1.03 0.00 0.00 179.24 178.82 2r2l h LYS 407 N 1.01 0.25 0.17 4.15 1.79 -1.43 -0.70 116.57 121.81 2r2l h LYS 407 Ca 0.21 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 2r2l h LYS 407 Cb 0.38 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 2r2l h LYS 407 CO 0.00 0.54 -0.08 0.28 -1.08 0.00 0.00 179.45 179.11 2r2l h VAL 408 N 0.22 0.95 -0.36 0.50 2.07 -0.98 -1.39 116.25 117.27 2r2l h VAL 408 Ca 0.03 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.85 2r2l h VAL 408 Cb 0.66 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2r2l h VAL 408 CO 0.05 0.16 0.22 0.40 0.02 0.00 0.00 177.57 178.42 2r2l h ILE 409 N -0.59 1.06 -0.40 4.57 2.04 -1.31 0.32 117.51 123.20 2r2l h ILE 409 Ca -0.02 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 2r2l h ILE 409 Cb 0.44 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2r2l h ILE 409 CO 0.04 0.08 0.24 -0.61 0.00 0.00 0.00 178.15 177.90 2r2l h GLN 410 N 0.46 0.54 -0.09 2.37 4.15 -1.17 0.15 115.11 121.52 2r2l h GLN 410 Ca 0.14 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 2r2l h GLN 410 Cb -0.03 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.55 2r2l h GLN 410 CO -0.05 0.40 -0.01 0.00 -1.93 0.00 0.00 178.83 177.25 2r2l h ALA 411 N 1.11 0.12 -0.37 3.38 0.00 -1.03 -0.91 119.26 121.57 2r2l h ALA 411 Ca 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2r2l h ALA 411 Cb -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2r2l h ALA 411 CO -0.03 -0.18 0.16 1.79 0.00 0.00 0.00 179.25 180.99 2r2l h THR 412 N -0.13 1.18 -0.92 0.00 1.35 -0.84 -0.78 112.91 112.77 2r2l h THR 412 Ca 0.02 -0.53 0.07 0.00 -0.55 0.00 0.00 66.41 65.42 2r2l h THR 412 Cb 0.37 0.85 -0.06 0.00 -1.73 0.00 0.00 68.15 67.58 2r2l h THR 412 CO 0.01 0.19 0.60 0.74 -0.25 0.00 0.00 175.52 176.81 2r2l h THR 413 N 0.45 1.05 0.39 6.82 2.02 -0.68 -1.28 112.91 121.70 2r2l h THR 413 Ca 0.12 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 2r2l h THR 413 Cb 0.16 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 2r2l h THR 413 CO -0.01 0.19 -0.19 -0.74 0.37 0.00 0.00 175.52 175.14 2r2l h HIS 414 N 1.03 -0.49 0.00 3.16 6.17 -0.39 -3.20 115.15 121.43 2r2l h HIS 414 Ca 0.40 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.47 2r2l h HIS 414 Cb 0.22 0.16 0.00 0.00 2.52 0.00 0.00 27.41 30.32 2r2l h HIS 414 CO -0.00 -0.18 0.00 0.74 0.71 0.00 0.00 177.93 179.20 2r2l h PHE 415 N -0.79 0.00 0.00 5.26 -1.00 -0.92 -1.69 116.94 117.80 2r2l h PHE 415 Ca -0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.73 2r2l h PHE 415 Cb 0.53 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.09 2r2l h PHE 415 CO 0.01 0.00 0.00 1.28 -1.61 0.00 0.00 178.31 177.99 2r2l n LEU 416 N -2.43 0.18 0.09 1.54 4.77 -0.50 -2.27 117.00 118.37 2r2l n LEU 416 Ca 0.01 0.53 -0.04 0.00 -0.03 0.00 0.00 56.01 56.47 2r2l n LEU 416 Cb 0.20 -0.48 0.14 0.00 -2.33 0.00 0.00 43.42 40.95 2r2l n LEU 416 CO 0.19 -0.16 0.51 1.56 -1.33 0.00 0.00 177.39 178.16 2r2l h GLN 417 N 0.00 0.23 -6.50 3.23 4.20 -1.39 -3.43 115.11 111.45 2r2l h GLN 417 Ca 0.00 -0.15 -0.53 0.00 0.06 0.00 0.00 58.65 58.03 2r2l h GLN 417 Cb 0.44 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2r2l h GLN 417 CO 0.00 0.74 -0.09 0.15 -0.67 0.00 0.00 178.83 178.96 2r2l s LYS 418 N -3.83 3.78 0.42 1.46 3.01 -0.96 -5.08 119.74 118.54 2r2l s LYS 418 Ca -0.04 0.26 -0.10 0.00 -1.01 0.00 0.00 55.97 55.08 2r2l s LYS 418 Cb 0.12 -2.61 -0.06 0.00 -1.01 0.00 0.00 37.83 34.27 2r2l s LYS 418 CO 0.79 0.26 0.79 -1.25 0.51 0.00 0.00 175.35 176.44 2r2l s PRO 419 N -3.07 3.75 0.21 -1.68 0.04 -1.26 -4.99 135.00 128.00 2r2l s PRO 419 Ca 0.47 0.47 -0.31 0.00 0.04 0.00 0.00 61.00 61.67 2r2l s PRO 419 Cb -0.11 -2.37 -0.11 0.00 0.04 0.00 0.00 34.50 31.95 2r2l s PRO 419 CO 0.24 -0.08 1.64 0.08 0.04 0.00 0.00 177.00 178.91 2r2l s VAL 420 N -2.45 2.25 0.26 -0.36 1.01 -1.26 -4.88 120.40 114.97 2r2l s VAL 420 Ca 0.51 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.38 2r2l s VAL 420 Cb -0.10 -3.12 -0.14 0.00 0.00 0.00 0.00 36.38 33.02 2r2l s VAL 420 CO 0.33 0.02 1.19 -2.65 0.00 0.00 0.00 175.10 174.00 2r2l n PRO 421 N 3.59 1.61 -0.00 2.72 -0.02 -1.26 -4.90 135.00 136.74 2r2l n PRO 421 Ca 0.13 0.57 0.11 0.00 -2.02 0.00 0.00 63.50 62.29 2r2l n PRO 421 Cb 0.37 -2.08 -0.16 0.00 -0.02 0.00 0.00 33.50 31.61 2r2l n PRO 421 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r2l n GLY 422 N 1.58 -1.03 3.53 -1.23 0.00 -1.26 -5.00 105.19 101.78 2r2l n GLY 422 Ca 0.11 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2r2l n GLY 422 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01