#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1l n HIS 2 N 0.00 0.00 0.08 6.34 -0.00 -1.26 -2.63 115.22 117.75 3h1l n HIS 2 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.67 3h1l n HIS 2 Cb 0.00 -0.19 -0.07 0.00 -0.00 0.00 0.00 29.99 29.72 3h1l n HIS 2 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.34 175.43 3h1l h ASN 3 N 0.00 0.00 -0.14 4.39 2.35 -2.13 -3.16 115.58 116.89 3h1l h ASN 3 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h1l h ASN 3 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3h1l h ASN 3 CO 0.00 0.88 0.00 0.47 -1.65 0.00 0.00 177.43 177.13 3h1l n ASP 4 N -3.35 0.82 -4.62 5.81 10.43 -1.08 -4.82 116.55 119.75 3h1l n ASP 4 Ca 0.00 -1.89 -0.35 0.00 2.57 0.00 0.00 54.79 55.13 3h1l n ASP 4 Cb 0.88 -0.09 -0.10 0.00 1.84 0.00 0.00 41.12 43.65 3h1l n ASP 4 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3h1l s VAL 5 N -1.82 4.77 0.07 2.53 1.01 -1.20 -5.06 120.40 120.70 3h1l s VAL 5 Ca 0.15 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.11 3h1l s VAL 5 Cb 0.08 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 3h1l s VAL 5 CO 0.11 0.44 -0.06 -0.89 0.00 0.00 0.00 175.10 174.70 3h1l s THR 6 N 0.51 0.55 -0.41 3.92 2.01 -1.26 -5.06 115.64 115.89 3h1l s THR 6 Ca 0.03 -1.57 -0.29 0.00 0.31 0.00 0.00 61.69 60.17 3h1l s THR 6 Cb -0.13 -1.21 0.02 0.00 0.01 0.00 0.00 72.50 71.19 3h1l s THR 6 CO 0.01 -0.70 1.18 -0.69 -0.69 0.00 0.00 174.62 173.72 3h1l s VAL 7 N -2.77 4.23 0.88 3.82 1.01 -1.26 -5.02 120.40 121.29 3h1l s VAL 7 Ca 0.02 1.31 -0.13 0.00 0.00 0.00 0.00 61.98 63.19 3h1l s VAL 7 Cb -0.01 -4.46 0.05 0.00 0.00 0.00 0.00 36.38 31.96 3h1l s VAL 7 CO -0.03 -0.80 -0.14 -2.65 0.00 0.00 0.00 175.10 171.47 3h1l n PRO 8 N 7.59 -1.17 -3.24 2.72 -0.02 -1.26 -4.89 135.00 134.73 3h1l n PRO 8 Ca 0.13 -0.34 -0.39 0.00 -2.02 0.00 0.00 63.50 60.87 3h1l n PRO 8 Cb 0.48 -1.28 -0.07 0.00 -0.02 0.00 0.00 33.50 32.61 3h1l n PRO 8 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3h1l s ASP 9 N -1.52 6.54 -0.38 2.55 2.15 -1.26 -4.94 116.67 119.80 3h1l s ASP 9 Ca 0.28 0.65 0.06 0.00 0.43 0.00 0.00 52.55 53.97 3h1l s ASP 9 Cb -0.02 -2.29 0.56 0.00 -0.30 0.00 0.00 42.92 40.87 3h1l s ASP 9 CO 0.34 -0.20 1.67 0.49 -0.17 0.00 0.00 175.17 177.29 3h1l n PHE 10 N 4.95 2.09 0.09 -5.34 3.01 -1.26 -4.54 117.46 116.46 3h1l n PHE 10 Ca -0.04 -1.86 -0.06 0.00 1.01 0.00 0.00 57.45 56.50 3h1l n PHE 10 Cb 0.50 -0.74 0.08 0.00 -0.01 0.00 0.00 39.48 39.31 3h1l n PHE 10 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3h1l h SER 11 N 1.14 0.23 -0.06 4.37 0.02 -1.94 0.22 113.55 117.53 3h1l h SER 11 Ca 0.42 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.24 3h1l h SER 11 Cb 2.04 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 64.51 3h1l h SER 11 CO 0.78 0.85 0.12 0.00 -1.14 0.00 0.00 176.83 177.45 3h1l h ALA 12 N 1.14 1.39 0.00 3.77 0.00 -2.03 -3.13 119.26 120.40 3h1l h ALA 12 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h1l h ALA 12 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3h1l h ALA 12 CO 0.11 -0.15 -0.68 0.66 0.00 0.00 0.00 179.25 179.18 3h1l n TYR 13 N -3.38 0.00 -1.37 0.00 4.01 -0.99 -5.08 117.16 110.35 3h1l n TYR 13 Ca -0.01 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.38 3h1l n TYR 13 Cb 0.21 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.34 3h1l n TYR 13 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3h1l s ARG 14 N -1.61 2.00 0.48 -0.72 0.52 0.74 -4.97 118.95 115.40 3h1l s ARG 14 Ca 0.00 1.90 -0.20 0.00 -0.52 0.00 0.00 55.73 56.91 3h1l s ARG 14 Cb 0.00 -1.80 -0.09 0.00 0.52 0.00 0.00 34.95 33.58 3h1l s ARG 14 CO 0.00 -1.97 1.03 1.03 0.02 0.00 0.00 175.30 175.41 3h1l s ARG 15 N -3.82 3.82 0.27 3.54 0.52 -1.26 -4.93 118.95 117.09 3h1l s ARG 15 Ca 0.77 1.35 -0.04 0.00 -0.52 0.00 0.00 55.73 57.30 3h1l s ARG 15 Cb -0.33 -2.10 0.56 0.00 0.52 0.00 0.00 34.95 33.60 3h1l s ARG 15 CO 0.46 -0.42 1.62 1.49 0.02 0.00 0.00 175.30 178.47 3h1l h GLU 16 N 1.57 0.08 0.00 3.54 4.81 -1.98 -2.47 114.58 120.14 3h1l h GLU 16 Ca -0.49 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3h1l h GLU 16 Cb 1.22 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3h1l h GLU 16 CO 0.59 0.06 0.00 -0.44 -0.73 0.00 0.00 179.01 178.49 3h1l h ASP 17 N 0.09 0.00 -0.83 1.04 5.19 -1.99 -3.15 116.42 116.77 3h1l h ASP 17 Ca 0.48 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 56.39 3h1l h ASP 17 Cb 0.91 0.00 -0.42 0.00 0.18 0.00 0.00 39.33 40.00 3h1l h ASP 17 CO -0.75 0.00 -0.86 1.33 -3.12 0.00 0.00 179.24 175.84 3h1l n VAL 18 N -2.59 2.28 -0.03 -1.35 0.24 -0.93 -4.70 118.33 111.25 3h1l n VAL 18 Ca 0.01 -4.11 -0.02 0.00 -2.04 0.00 0.00 64.34 58.18 3h1l n VAL 18 Cb 0.23 -0.75 -0.13 0.00 -1.47 0.00 0.00 33.84 31.72 3h1l n VAL 18 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 3h1l n MET 19 N -0.64 0.65 -3.05 7.34 0.00 -1.19 -4.75 117.12 115.48 3h1l n MET 19 Ca 0.37 0.06 -0.43 0.00 0.00 0.00 0.00 57.70 57.70 3h1l n MET 19 Cb 0.89 -1.65 -0.06 0.00 0.00 0.00 0.00 33.22 32.40 3h1l n MET 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3h1l s ASP 20 N -5.44 6.39 0.00 6.12 2.15 -1.26 -4.94 116.67 119.69 3h1l s ASP 20 Ca -0.07 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 52.79 3h1l s ASP 20 Cb 0.09 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 3h1l s ASP 20 CO 0.84 -0.78 0.23 0.00 -0.17 0.00 0.00 175.17 175.28 3h1l n ALA 21 N 6.37 1.39 -0.56 3.66 0.00 -1.26 -2.07 120.51 128.04 3h1l n ALA 21 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3h1l n ALA 21 Cb 0.48 -0.92 0.02 0.00 0.00 0.00 0.00 19.45 19.02 3h1l n ALA 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h1l n THR 22 N -0.71 0.75 -5.19 0.00 -2.24 -1.26 -5.03 114.28 100.61 3h1l n THR 22 Ca 0.00 -0.79 -0.32 0.00 -2.27 0.00 0.00 64.05 60.67 3h1l n THR 22 Cb 0.00 0.56 -0.16 0.00 -2.10 0.00 0.00 70.33 68.63 3h1l n THR 22 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3h1l s THR 23 N -0.87 2.24 -0.28 4.28 2.01 -0.88 -5.07 115.64 117.08 3h1l s THR 23 Ca 0.04 -1.00 -0.32 0.00 0.31 0.00 0.00 61.69 60.72 3h1l s THR 23 Cb 0.03 -1.83 -0.08 0.00 0.01 0.00 0.00 72.50 70.63 3h1l s THR 23 CO 0.00 0.57 2.20 -0.24 -0.69 0.00 0.00 174.62 176.46 3h1l n SER 24 N 2.97 2.71 0.24 3.53 2.88 -1.26 -4.78 113.62 119.91 3h1l n SER 24 Ca -0.18 0.32 0.16 0.00 -1.33 0.00 0.00 58.87 57.84 3h1l n SER 24 Cb 0.52 -1.41 0.84 0.00 -0.75 0.00 0.00 64.21 63.41 3h1l n SER 24 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3h1l h SER 25 N 13.64 0.00 0.00 -3.46 4.64 -1.92 -2.88 113.55 123.57 3h1l h SER 25 Ca -0.34 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.97 3h1l h SER 25 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3h1l h SER 25 CO 0.99 0.00 -0.01 1.56 -0.87 0.00 0.00 176.83 178.49 3h1l h GLN 26 N 0.00 0.04 -0.21 4.77 1.08 -1.97 -3.08 115.11 115.74 3h1l h GLN 26 Ca 0.00 -0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 3h1l h GLN 26 Cb 0.09 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 3h1l h GLN 26 CO 0.00 0.06 -0.06 1.79 -0.95 0.00 0.00 178.83 179.68 3h1l h THR 27 N 0.04 1.29 -0.01 -0.54 1.35 -1.91 -3.11 112.91 110.02 3h1l h THR 27 Ca 0.01 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 3h1l h THR 27 Cb 0.06 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3h1l h THR 27 CO 0.00 0.32 0.00 -1.54 -0.25 0.00 0.00 175.52 174.05 3h1l n SER 28 N -4.60 0.20 0.35 5.36 3.41 -1.18 -4.13 113.62 113.03 3h1l n SER 28 Ca -0.04 -1.26 -0.14 0.00 -0.26 0.00 0.00 58.87 57.17 3h1l n SER 28 Cb 0.29 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.16 3h1l n SER 28 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3h1l h SER 29 N 0.28 -0.77 -1.32 4.04 4.64 -1.46 -1.56 113.55 117.40 3h1l h SER 29 Ca 0.00 0.03 0.44 0.00 -0.47 0.00 0.00 61.79 61.78 3h1l h SER 29 Cb 0.06 0.20 -0.11 0.00 -0.31 0.00 0.00 62.40 62.24 3h1l h SER 29 CO 0.00 -0.47 0.87 -0.62 -0.87 0.00 0.00 176.83 175.74 3h1l n GLU 30 N -4.88 -0.03 -0.06 4.77 -0.58 -1.26 -1.14 120.64 117.48 3h1l n GLU 30 Ca -0.11 1.07 -0.02 0.00 -0.42 0.00 0.00 57.16 57.68 3h1l n GLU 30 Cb 0.36 -2.18 -0.01 0.00 -0.57 0.00 0.00 31.44 29.04 3h1l n GLU 30 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3h1l h ASP 31 N 0.00 0.00 -1.58 1.62 3.32 -1.79 -1.80 116.42 116.19 3h1l h ASP 31 Ca 0.79 -0.02 0.49 0.00 0.02 0.00 0.00 57.03 58.30 3h1l h ASP 31 Cb 2.67 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 42.11 3h1l h ASP 31 CO -0.33 0.60 1.08 0.03 -1.72 0.00 0.00 179.24 178.90 3h1l h ARG 32 N -1.00 0.04 0.02 3.56 3.08 -0.08 0.15 114.38 120.14 3h1l h ARG 32 Ca -0.00 -0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.83 3h1l h ARG 32 Cb 0.19 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3h1l h ARG 32 CO -0.00 0.02 -1.15 0.87 -1.07 0.00 0.00 179.97 178.64 3h1l h LYS 33 N 0.04 0.03 -0.93 0.04 1.57 -1.39 -3.21 116.57 112.72 3h1l h LYS 33 Ca 0.85 -0.06 0.23 0.00 -1.87 0.00 0.00 60.65 59.80 3h1l h LYS 33 Cb 3.05 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 35.32 3h1l h LYS 33 CO -0.22 1.03 0.63 0.78 -0.57 0.00 0.00 179.45 181.09 3h1l h GLY 34 N -0.80 0.71 0.22 3.86 0.00 0.01 0.24 103.07 107.31 3h1l h GLY 34 Ca -0.30 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 3h1l h GLY 34 CO -0.15 -0.03 -0.00 -2.75 0.00 0.00 0.00 176.54 173.62 3h1l h PHE 35 N 0.30 -0.00 -0.15 5.60 3.57 -0.97 -2.07 116.94 123.21 3h1l h PHE 35 Ca 0.48 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.94 3h1l h PHE 35 Cb 1.38 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 3h1l h PHE 35 CO -0.00 0.77 -0.12 0.77 -2.23 0.00 0.00 178.31 177.50 3h1l h SER 36 N -0.78 0.23 1.87 0.41 0.02 -1.38 -1.78 113.55 112.14 3h1l h SER 36 Ca -0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3h1l h SER 36 Cb 0.77 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.25 3h1l h SER 36 CO 0.00 0.38 0.00 1.88 -1.14 0.00 0.00 176.83 177.95 3h1l h TYR 37 N 0.23 0.00 0.09 3.45 0.99 -0.61 -2.99 116.97 118.13 3h1l h TYR 37 Ca 0.05 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.52 3h1l h TYR 37 Cb 0.36 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.09 3h1l h TYR 37 CO 0.01 0.00 -1.14 1.25 -0.00 0.00 0.00 178.16 178.27 3h1l h LEU 38 N 0.00 0.43 -0.18 3.88 5.85 -0.68 -0.20 115.31 124.40 3h1l h LEU 38 Ca 0.00 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 3h1l h LEU 38 Cb 0.93 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3h1l h LEU 38 CO 0.00 1.29 0.08 0.58 -0.34 0.00 0.00 178.44 180.05 3h1l h VAL 39 N 0.11 1.15 -0.17 1.05 2.07 -1.28 -1.46 116.25 117.72 3h1l h VAL 39 Ca -0.11 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3h1l h VAL 39 Cb 1.85 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 3h1l h VAL 39 CO 0.19 0.14 0.08 0.74 0.02 0.00 0.00 177.57 178.74 3h1l h THR 40 N 0.14 1.14 -0.88 2.57 2.02 -1.54 -1.27 112.91 115.09 3h1l h THR 40 Ca 0.06 -0.40 0.15 0.00 0.77 0.00 0.00 66.41 66.99 3h1l h THR 40 Cb 0.15 1.09 -0.07 0.00 -1.74 0.00 0.00 68.15 67.58 3h1l h THR 40 CO -0.01 0.13 0.57 0.00 0.37 0.00 0.00 175.52 176.58 3h1l h ALA 41 N 0.94 1.87 -0.02 6.16 0.00 -0.89 -0.07 119.26 127.25 3h1l h ALA 41 Ca 0.06 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3h1l h ALA 41 Cb 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3h1l h ALA 41 CO -0.01 -0.11 -0.04 1.15 0.00 0.00 0.00 179.25 180.24 3h1l h THR 42 N 0.66 1.43 -0.86 0.00 2.02 -0.82 -1.78 112.91 113.56 3h1l h THR 42 Ca 0.44 -1.35 0.19 0.00 0.77 0.00 0.00 66.41 66.46 3h1l h THR 42 Cb 0.74 2.28 -0.11 0.00 -1.74 0.00 0.00 68.15 69.32 3h1l h THR 42 CO -0.20 0.36 0.39 0.00 0.37 0.00 0.00 175.52 176.44 3h1l h ALA 43 N 0.46 1.34 -0.66 6.16 0.00 -0.26 0.67 119.26 126.97 3h1l h ALA 43 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3h1l h ALA 43 Cb 0.61 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3h1l h ALA 43 CO 0.01 -0.26 0.25 0.00 0.00 0.00 0.00 179.25 179.25 3h1l h VAL 45 N 0.94 1.29 -0.35 0.00 2.07 0.64 0.28 116.25 121.14 3h1l h VAL 45 Ca 0.22 -1.50 -0.13 0.00 0.82 0.00 0.00 66.70 66.11 3h1l h VAL 45 Cb 0.23 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3h1l h VAL 45 CO -0.02 0.47 -0.28 0.00 0.02 0.00 0.00 177.57 177.77 3h1l h ALA 46 N 1.17 0.50 -0.11 1.67 0.00 0.40 -2.21 119.26 120.68 3h1l h ALA 46 Ca 0.04 -0.40 -0.23 0.00 0.00 0.00 0.00 54.91 54.32 3h1l h ALA 46 Cb 0.85 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.53 3h1l h ALA 46 CO 0.07 0.52 -0.83 1.15 0.00 0.00 0.00 179.25 180.16 3h1l h THR 47 N 0.58 1.29 -0.82 0.00 2.02 -0.73 -2.48 112.91 112.77 3h1l h THR 47 Ca 0.06 -2.06 0.09 0.00 0.77 0.00 0.00 66.41 65.27 3h1l h THR 47 Cb 0.85 2.09 -0.07 0.00 -1.74 0.00 0.00 68.15 69.28 3h1l h THR 47 CO 0.07 0.65 0.47 0.00 0.37 0.00 0.00 175.52 177.08 3h1l h ALA 48 N 0.58 1.15 0.57 6.16 0.00 -0.40 0.32 119.26 127.64 3h1l h ALA 48 Ca -0.07 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3h1l h ALA 48 Cb 1.46 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.11 3h1l h ALA 48 CO 0.17 0.11 -0.27 -0.92 0.00 0.00 0.00 179.25 178.34 3h1l h TYR 49 N 0.80 -0.70 -0.70 0.00 3.20 -1.37 -1.90 116.97 116.30 3h1l h TYR 49 Ca 0.39 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.39 3h1l h TYR 49 Cb 0.33 0.23 -0.13 0.00 1.54 0.00 0.00 36.73 38.70 3h1l h TYR 49 CO -0.06 -0.44 -0.13 0.00 -1.64 0.00 0.00 178.16 175.89 3h1l h ALA 50 N -1.57 0.53 0.50 1.82 0.00 -1.05 -1.53 119.26 117.96 3h1l h ALA 50 Ca -0.08 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3h1l h ALA 50 Cb 0.58 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3h1l h ALA 50 CO 0.13 -0.42 -0.33 0.00 0.00 0.00 0.00 179.25 178.63 3h1l h ALA 51 N 1.69 -1.13 -0.90 0.00 0.00 -0.39 -1.51 119.26 117.01 3h1l h ALA 51 Ca 0.35 -0.16 0.25 0.00 0.00 0.00 0.00 54.91 55.34 3h1l h ALA 51 Cb 0.55 0.46 -0.15 0.00 0.00 0.00 0.00 17.79 18.65 3h1l h ALA 51 CO -0.69 -1.11 0.17 -0.22 0.00 0.00 0.00 179.25 177.40 3h1l h LYS 52 N -0.78 0.12 -0.66 0.00 3.11 -1.03 0.12 116.57 117.45 3h1l h LYS 52 Ca -0.07 -0.01 -0.06 0.00 -2.81 0.00 0.00 60.65 57.71 3h1l h LYS 52 Cb 0.63 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.81 3h1l h LYS 52 CO 0.05 0.08 0.17 -0.91 -2.81 0.00 0.00 179.45 176.03 3h1l h ASN 53 N 0.13 0.97 0.91 4.20 2.35 -1.05 0.71 115.58 123.80 3h1l h ASN 53 Ca 0.57 -0.19 -0.10 0.00 -0.55 0.00 0.00 56.30 56.02 3h1l h ASN 53 Cb 1.17 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.27 3h1l h ASN 53 CO -0.74 0.93 -0.49 0.58 -1.65 0.00 0.00 177.43 176.06 3h1l h VAL 54 N 0.99 1.05 0.01 2.81 2.07 0.25 -2.40 116.25 121.03 3h1l h VAL 54 Ca 0.21 -1.89 -0.04 0.00 0.82 0.00 0.00 66.70 65.80 3h1l h VAL 54 Cb 0.33 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3h1l h VAL 54 CO -0.00 0.48 -0.17 0.58 0.02 0.00 0.00 177.57 178.48 3h1l h VAL 55 N 0.00 1.61 -0.96 2.57 2.07 -1.01 -2.58 116.25 117.94 3h1l h VAL 55 Ca -0.00 -2.02 0.10 0.00 0.82 0.00 0.00 66.70 65.60 3h1l h VAL 55 Cb 1.08 2.93 -0.13 0.00 -1.52 0.00 0.00 31.29 33.65 3h1l h VAL 55 CO 0.06 0.54 -0.51 0.41 0.02 0.00 0.00 177.57 178.09 3h1l n THR 56 N -4.56 -0.61 0.01 2.57 -1.04 0.22 -0.49 114.28 110.39 3h1l n THR 56 Ca -0.10 2.31 -0.01 0.00 -2.04 0.00 0.00 64.05 64.21 3h1l n THR 56 Cb 0.48 -2.91 -0.00 0.00 -1.82 0.00 0.00 70.33 66.08 3h1l n THR 56 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 3h1l h GLN 57 N 0.00 -0.04 -0.90 -2.82 4.20 -1.48 -2.41 115.11 111.66 3h1l h GLN 57 Ca 0.21 0.00 0.25 0.00 0.06 0.00 0.00 58.65 59.17 3h1l h GLN 57 Cb 0.45 0.01 -0.15 0.00 0.30 0.00 0.00 27.48 28.08 3h1l h GLN 57 CO -0.92 -0.03 0.18 0.74 -0.67 0.00 0.00 178.83 178.13 3h1l h PHE 58 N -0.04 0.24 -0.17 2.96 0.05 -1.02 0.12 116.94 119.07 3h1l h PHE 58 Ca -0.00 0.06 -0.04 0.00 3.82 0.00 0.00 57.97 61.80 3h1l h PHE 58 Cb 0.03 0.04 -0.01 0.00 2.00 0.00 0.00 35.95 38.01 3h1l h PHE 58 CO 0.00 -0.28 -0.08 0.82 -0.18 0.00 0.00 178.31 178.60 3h1l h ILE 59 N 0.14 1.16 -0.12 -0.55 5.03 -0.73 -0.40 117.51 122.03 3h1l h ILE 59 Ca 0.56 -0.66 0.00 0.00 -0.12 0.00 0.00 64.86 64.64 3h1l h ILE 59 Cb 1.16 1.12 0.00 0.00 -3.03 0.00 0.00 36.82 36.07 3h1l h ILE 59 CO -0.73 0.21 0.00 -1.54 -0.68 0.00 0.00 178.15 175.42 3h1l n SER 60 N -4.31 1.20 0.02 1.72 3.41 0.37 -3.02 113.62 113.01 3h1l n SER 60 Ca -0.00 -1.64 0.14 0.00 -0.26 0.00 0.00 58.87 57.10 3h1l n SER 60 Cb 0.23 -0.08 0.57 0.00 -0.26 0.00 0.00 64.21 64.68 3h1l n SER 60 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3h1l n SER 61 N 0.02 0.12 -0.06 4.04 3.41 -0.16 -2.94 113.62 118.05 3h1l n SER 61 Ca 0.15 0.51 -0.08 0.00 -0.26 0.00 0.00 58.87 59.19 3h1l n SER 61 Cb 0.25 -0.55 -0.15 0.00 -0.26 0.00 0.00 64.21 63.51 3h1l n SER 61 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h1l n LEU 62 N -1.62 0.36 0.00 1.04 4.77 -1.17 -4.97 117.00 115.42 3h1l n LEU 62 Ca 0.07 0.17 -0.16 0.00 -0.03 0.00 0.00 56.01 56.06 3h1l n LEU 62 Cb 0.34 0.34 0.15 0.00 -2.33 0.00 0.00 43.42 41.93 3h1l n LEU 62 CO 0.27 0.43 0.18 -1.20 -1.33 0.00 0.00 177.39 175.73 3h1l n SER 63 N -2.85 -2.98 -4.75 -1.43 7.64 -1.15 -4.85 113.62 103.24 3h1l n SER 63 Ca -0.25 -0.45 -0.41 0.00 1.01 0.00 0.00 58.87 58.77 3h1l n SER 63 Cb 1.09 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 63.63 3h1l n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h1l s ALA 64 N -2.06 3.51 1.00 -0.43 0.00 -1.26 -5.01 121.76 117.51 3h1l s ALA 64 Ca 0.35 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.46 3h1l s ALA 64 Cb -0.06 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3h1l s ALA 64 CO 0.29 -0.54 0.00 -1.13 0.00 0.00 0.00 175.76 174.38 3h1l n SER 65 N 1.77 -0.87 0.03 0.00 3.41 -1.26 -4.97 113.62 111.74 3h1l n SER 65 Ca 0.03 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 3h1l n SER 65 Cb 0.42 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.29 3h1l n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h1l n ALA 66 N -3.00 1.94 0.34 7.33 0.00 -1.26 -3.99 120.51 121.86 3h1l n ALA 66 Ca 0.00 -0.53 0.15 0.00 0.00 0.00 0.00 53.44 53.05 3h1l n ALA 66 Cb 0.00 -0.96 0.53 0.00 0.00 0.00 0.00 19.45 19.02 3h1l n ALA 66 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3h1l h ASP 67 N 0.00 0.00 -2.71 0.00 2.03 -2.03 -3.43 116.42 110.28 3h1l h ASP 67 Ca -0.16 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.59 3h1l h ASP 67 Cb 1.58 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 40.07 3h1l h ASP 67 CO 0.05 0.00 1.01 -0.69 -1.03 0.00 0.00 179.24 178.58 3h1l s VAL 68 N -3.45 3.67 0.00 4.15 1.01 -1.26 -4.98 120.40 119.54 3h1l s VAL 68 Ca 0.04 0.88 0.00 0.00 0.00 0.00 0.00 61.98 62.90 3h1l s VAL 68 Cb 0.09 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3h1l s VAL 68 CO 0.52 -0.06 0.00 0.18 0.00 0.00 0.00 175.10 175.74 3h1l n LEU 69 N 6.65 0.00 0.00 3.92 4.77 -1.26 -4.97 117.00 126.10 3h1l n LEU 69 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 3h1l n LEU 69 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3h1l n LEU 69 CO 0.61 -0.18 0.00 0.00 -1.33 0.00 0.00 177.39 176.49 3h1l n ALA 70 N -3.00 0.00 -1.32 -1.18 0.00 -1.26 -5.17 120.51 108.58 3h1l n ALA 70 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3h1l n ALA 70 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 3h1l n ALA 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h1l s LEU 71 N 0.00 1.46 0.00 0.00 1.43 -1.26 -5.11 118.68 115.20 3h1l s LEU 71 Ca 0.00 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 3h1l s LEU 71 Cb 0.00 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.45 3h1l s LEU 71 CO 0.00 -3.37 0.00 -1.54 0.23 0.00 0.00 176.35 171.67 3h1l n SER 72 N -4.28 0.00 0.00 2.29 3.41 -1.26 -5.09 113.62 108.69 3h1l n SER 72 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3h1l n SER 72 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3h1l n SER 72 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h1l n LYS 73 N 0.00 3.77 -3.61 4.33 5.02 -1.26 -4.89 118.16 121.52 3h1l n LYS 73 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 3h1l n LYS 73 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 3h1l n LYS 73 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3h1l s ILE 74 N 2.16 -0.12 0.02 -0.18 2.07 -0.63 -4.99 121.20 119.54 3h1l s ILE 74 Ca 0.00 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.16 3h1l s ILE 74 Cb 0.00 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.54 3h1l s ILE 74 CO 0.00 0.00 0.30 -1.61 -1.91 0.00 0.00 174.94 171.72 3h1l s GLU 75 N 1.61 3.63 -0.08 3.50 2.02 -1.26 -1.60 118.70 126.52 3h1l s GLU 75 Ca -0.08 0.00 -0.04 0.00 0.02 0.00 0.00 54.97 54.88 3h1l s GLU 75 Cb -0.04 -3.07 0.04 0.00 0.10 0.00 0.00 34.13 31.16 3h1l s GLU 75 CO -0.16 0.63 0.18 0.42 0.02 0.00 0.00 175.26 176.35 3h1l s ILE 76 N -1.30 -0.05 -0.16 -1.63 1.01 0.13 -5.01 121.20 114.19 3h1l s ILE 76 Ca 0.28 0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.81 3h1l s ILE 76 Cb -0.13 -0.29 -0.00 0.00 0.01 0.00 0.00 42.46 42.04 3h1l s ILE 76 CO 0.16 0.07 1.00 -0.75 0.00 0.00 0.00 174.94 175.42 3h1l s LYS 77 N 1.18 4.34 0.00 2.79 2.20 -1.26 -1.12 119.74 127.87 3h1l s LYS 77 Ca -0.09 1.34 0.03 0.00 -0.36 0.00 0.00 55.97 56.89 3h1l s LYS 77 Cb -0.11 -3.59 0.20 0.00 -1.51 0.00 0.00 37.83 32.82 3h1l s LYS 77 CO -0.07 -0.45 0.71 1.28 -0.36 0.00 0.00 175.35 176.46 3h1l n LEU 78 N 5.59 0.00 -0.56 5.43 4.77 -1.08 -2.31 117.00 128.84 3h1l n LEU 78 Ca 0.10 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.18 3h1l n LEU 78 Cb 0.48 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 3h1l n LEU 78 CO 0.52 0.00 0.37 -1.20 -1.33 0.00 0.00 177.39 175.74 3h1l n SER 79 N -0.60 2.15 0.01 -1.43 7.64 -1.26 -4.10 113.62 116.02 3h1l n SER 79 Ca 0.03 -1.57 0.05 0.00 1.01 0.00 0.00 58.87 58.38 3h1l n SER 79 Cb 0.01 0.36 -0.12 0.00 -1.01 0.00 0.00 64.21 63.45 3h1l n SER 79 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3h1l n ASP 80 N 0.27 0.35 -4.30 6.43 8.00 -0.98 -4.63 116.55 121.70 3h1l n ASP 80 Ca 0.10 0.15 -0.45 0.00 0.71 0.00 0.00 54.79 55.29 3h1l n ASP 80 Cb 0.46 1.12 -0.03 0.00 -0.02 0.00 0.00 41.12 42.65 3h1l n ASP 80 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h1l s ILE 81 N -3.18 5.39 0.83 0.53 1.01 -1.26 -5.06 121.20 119.47 3h1l s ILE 81 Ca -0.06 -2.65 -0.11 0.00 0.00 0.00 0.00 60.65 57.84 3h1l s ILE 81 Cb 0.11 -4.34 0.09 0.00 0.01 0.00 0.00 42.46 38.33 3h1l s ILE 81 CO 0.85 -1.03 1.12 -2.16 0.00 0.00 0.00 174.94 173.73 3h1l s PRO 82 N -0.03 1.71 0.51 2.79 0.04 -1.26 -4.78 135.00 133.99 3h1l s PRO 82 Ca 0.19 1.37 -0.22 0.00 0.04 0.00 0.00 61.00 62.38 3h1l s PRO 82 Cb -0.11 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 3h1l s PRO 82 CO -0.08 -2.08 1.17 -1.91 0.04 0.00 0.00 177.00 174.14 3h1l n GLU 83 N -3.78 1.47 -2.04 4.56 2.13 -1.26 -3.36 120.64 118.36 3h1l n GLU 83 Ca 0.11 0.54 -0.03 0.00 0.66 0.00 0.00 57.16 58.44 3h1l n GLU 83 Cb 0.52 -2.33 -0.00 0.00 0.27 0.00 0.00 31.44 29.90 3h1l n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h1l n GLY 84 N 0.99 0.26 3.24 8.31 0.00 -0.53 -5.01 105.19 112.45 3h1l n GLY 84 Ca 0.10 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 3h1l n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h1l s LYS 85 N -4.12 0.86 0.11 1.61 2.20 -1.21 -5.05 119.74 114.15 3h1l s LYS 85 Ca 0.00 -0.74 0.10 0.00 -0.36 0.00 0.00 55.97 54.98 3h1l s LYS 85 Cb 0.00 0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 36.65 3h1l s LYS 85 CO 0.00 -0.29 -0.26 1.21 -0.36 0.00 0.00 175.35 175.65 3h1l s ASN 86 N -2.53 3.18 0.00 1.43 2.47 -1.26 -2.11 114.94 116.11 3h1l s ASN 86 Ca 0.01 -0.70 -0.03 0.00 0.42 0.00 0.00 52.86 52.55 3h1l s ASN 86 Cb 0.02 -0.22 -0.01 0.00 -1.45 0.00 0.00 41.25 39.59 3h1l s ASN 86 CO -0.08 0.18 0.05 -0.69 -3.72 0.00 0.00 177.10 172.84 3h1l s VAL 87 N -1.01 0.07 -0.15 -5.21 1.01 -1.12 -5.01 120.40 108.98 3h1l s VAL 87 Ca 0.13 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 3h1l s VAL 87 Cb -0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 3h1l s VAL 87 CO 0.05 -0.31 -0.04 0.00 0.00 0.00 0.00 175.10 174.81 3h1l s ALA 88 N -0.96 3.01 -0.04 5.51 0.00 -1.26 -2.75 121.76 125.27 3h1l s ALA 88 Ca -0.11 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.10 3h1l s ALA 88 Cb -0.06 -1.55 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 3h1l s ALA 88 CO 0.00 0.24 -0.23 -0.06 0.00 0.00 0.00 175.76 175.70 3h1l s PHE 89 N 0.30 2.19 0.19 0.00 0.40 -0.61 -4.93 117.98 115.52 3h1l s PHE 89 Ca -0.03 -0.55 -0.31 0.00 -0.60 0.00 0.00 56.93 55.44 3h1l s PHE 89 Cb -0.14 -1.43 -0.10 0.00 0.51 0.00 0.00 43.02 41.86 3h1l s PHE 89 CO 0.03 -0.13 1.48 0.21 0.70 0.00 0.00 175.22 177.50 3h1l s LYS 90 N -0.30 4.26 -0.28 0.44 2.47 -1.26 -1.97 119.74 123.10 3h1l s LYS 90 Ca 0.02 2.28 -0.19 0.00 -1.56 0.00 0.00 55.97 56.51 3h1l s LYS 90 Cb -0.11 -3.15 0.11 0.00 -1.46 0.00 0.00 37.83 33.22 3h1l s LYS 90 CO 0.02 -0.49 0.89 -0.46 0.16 0.00 0.00 175.35 175.46 3h1l s TRP 91 N 0.65 -0.70 -1.62 4.03 -0.00 -1.25 -4.93 118.94 115.11 3h1l s TRP 91 Ca 0.64 1.49 -0.14 0.00 -0.00 0.00 0.00 56.10 58.10 3h1l s TRP 91 Cb -0.42 0.42 0.14 0.00 -0.00 0.00 0.00 33.47 33.61 3h1l s TRP 91 CO 0.36 -0.34 0.34 0.54 -0.00 0.00 0.00 176.95 177.84 3h1l n ARG 92 N 3.39 -0.81 0.00 5.86 1.74 -1.26 -2.72 116.66 122.86 3h1l n ARG 92 Ca -0.17 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3h1l n ARG 92 Cb 0.57 -3.95 0.00 0.00 -1.02 0.00 0.00 32.46 28.06 3h1l n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h1l n GLY 93 N -1.58 1.81 3.86 -0.13 0.00 -1.26 -4.97 105.19 102.92 3h1l n GLY 93 Ca -0.05 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 3h1l n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1l s LYS 94 N 0.00 3.88 1.00 1.61 -0.14 -1.10 -5.01 119.74 119.98 3h1l s LYS 94 Ca 0.00 0.66 -0.19 0.00 -1.36 0.00 0.00 55.97 55.07 3h1l s LYS 94 Cb 0.00 -2.33 -0.15 0.00 -1.68 0.00 0.00 37.83 33.68 3h1l s LYS 94 CO 0.00 -0.06 -0.89 -2.30 -0.76 0.00 0.00 175.35 171.34 3h1l n PRO 95 N -1.16 -0.04 -3.68 -1.68 -0.02 -1.26 -3.80 135.00 123.35 3h1l n PRO 95 Ca 0.04 -0.01 -0.16 0.00 -2.02 0.00 0.00 63.50 61.35 3h1l n PRO 95 Cb 0.54 -1.05 -0.15 0.00 -0.02 0.00 0.00 33.50 32.81 3h1l n PRO 95 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3h1l s LEU 96 N 7.39 0.09 0.07 2.45 2.96 -0.83 -2.96 118.68 127.85 3h1l s LEU 96 Ca 0.40 0.32 -0.05 0.00 -0.22 0.00 0.00 54.13 54.59 3h1l s LEU 96 Cb -0.12 0.28 -0.05 0.00 0.50 0.00 0.00 46.19 46.80 3h1l s LEU 96 CO 0.78 -0.23 0.30 -0.36 -1.32 0.00 0.00 176.35 175.53 3h1l s PHE 97 N 2.06 3.53 -0.17 5.38 0.08 0.16 -1.58 117.98 127.45 3h1l s PHE 97 Ca 0.01 0.51 -0.05 0.00 0.12 0.00 0.00 56.93 57.52 3h1l s PHE 97 Cb -0.12 -1.96 0.06 0.00 -0.57 0.00 0.00 43.02 40.43 3h1l s PHE 97 CO -0.06 0.54 0.09 0.08 -0.10 0.00 0.00 175.22 175.77 3h1l s VAL 98 N -1.48 -0.09 -0.11 -0.44 1.01 -1.11 -2.08 120.40 116.10 3h1l s VAL 98 Ca 0.34 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.20 3h1l s VAL 98 Cb -0.13 -0.56 -0.00 0.00 0.00 0.00 0.00 36.38 35.69 3h1l s VAL 98 CO 0.22 -0.27 -0.22 -0.60 0.00 0.00 0.00 175.10 174.23 3h1l s ARG 99 N 2.14 3.10 -0.55 2.72 3.52 0.14 -2.79 118.95 127.22 3h1l s ARG 99 Ca 0.02 -0.85 -0.19 0.00 -0.13 0.00 0.00 55.73 54.58 3h1l s ARG 99 Cb -0.16 -2.38 0.08 0.00 -1.56 0.00 0.00 34.95 30.94 3h1l s ARG 99 CO -0.09 0.15 0.68 -1.58 -0.81 0.00 0.00 175.30 173.65 3h1l s HIS 100 N 0.43 3.01 0.20 5.12 5.65 -0.90 -1.25 115.29 127.55 3h1l s HIS 100 Ca -0.16 -0.75 -0.20 0.00 0.25 0.00 0.00 55.06 54.20 3h1l s HIS 100 Cb -0.17 -3.80 -0.08 0.00 -1.18 0.00 0.00 32.58 27.35 3h1l s HIS 100 CO 0.07 -1.18 0.71 1.03 -0.65 0.00 0.00 174.74 174.71 3h1l s ARG 101 N 2.71 4.27 0.52 2.88 0.52 0.25 -1.45 118.95 128.65 3h1l s ARG 101 Ca 0.14 0.87 -0.06 0.00 -0.52 0.00 0.00 55.73 56.16 3h1l s ARG 101 Cb -0.22 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.26 3h1l s ARG 101 CO 0.09 0.44 0.84 0.95 0.02 0.00 0.00 175.30 177.65 3h1l s THR 102 N -1.44 4.72 -0.36 0.02 -4.23 -1.26 -4.68 115.64 108.41 3h1l s THR 102 Ca 0.41 0.29 0.25 0.00 -1.18 0.00 0.00 61.69 61.46 3h1l s THR 102 Cb -0.18 -3.82 0.27 0.00 1.34 0.00 0.00 72.50 70.12 3h1l s THR 102 CO 0.21 -0.86 1.76 -0.61 -0.54 0.00 0.00 174.62 174.59 3h1l h GLN 103 N 0.08 0.00 0.00 3.99 4.15 -1.97 -1.73 115.11 119.63 3h1l h GLN 103 Ca -0.46 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.95 3h1l h GLN 103 Cb 1.21 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.90 3h1l h GLN 103 CO 0.62 0.00 -0.02 0.00 -1.93 0.00 0.00 178.83 177.50 3h1l h ALA 104 N 2.21 1.56 0.00 3.38 0.00 -2.01 -2.91 119.26 121.50 3h1l h ALA 104 Ca 0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 54.91 54.46 3h1l h ALA 104 Cb 0.37 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3h1l h ALA 104 CO 0.00 0.02 -2.42 0.39 0.00 0.00 0.00 179.25 177.24 3h1l n GLU 105 N -3.92 0.61 0.18 0.00 1.02 -0.71 -4.39 120.64 113.41 3h1l n GLU 105 Ca -0.03 0.26 0.03 0.00 -0.02 0.00 0.00 57.16 57.40 3h1l n GLU 105 Cb 0.10 -1.52 0.16 0.00 -0.02 0.00 0.00 31.44 30.16 3h1l n GLU 105 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3h1l h ILE 106 N -0.74 0.00 0.02 -3.67 2.04 -1.20 0.39 117.51 114.35 3h1l h ILE 106 Ca -0.64 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.01 3h1l h ILE 106 Cb 1.67 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3h1l h ILE 106 CO -0.32 0.00 -1.12 0.78 0.00 0.00 0.00 178.15 177.49 3h1l h ASN 107 N 0.00 0.08 0.08 1.72 2.35 -1.73 -3.29 115.58 114.78 3h1l h ASN 107 Ca 0.00 -0.66 0.02 0.00 -0.55 0.00 0.00 56.30 55.11 3h1l h ASN 107 Cb 1.15 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 39.46 3h1l h ASN 107 CO 0.00 1.45 -0.28 1.56 -1.65 0.00 0.00 177.43 178.51 3h1l h GLN 108 N -0.84 -0.46 -0.04 0.81 4.20 -0.44 0.11 115.11 118.44 3h1l h GLN 108 Ca -0.29 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.46 3h1l h GLN 108 Cb 1.36 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 29.24 3h1l h GLN 108 CO -0.12 -0.31 0.23 0.93 -0.67 0.00 0.00 178.83 178.89 3h1l h GLU 109 N -0.48 0.00 -0.00 1.46 4.39 -1.63 0.43 114.58 118.75 3h1l h GLU 109 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3h1l h GLU 109 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3h1l h GLU 109 CO -0.19 0.00 -0.52 0.00 -1.16 0.00 0.00 179.01 177.14 3h1l n ALA 110 N -2.02 3.53 -2.97 3.43 0.00 -0.80 -3.98 120.51 117.70 3h1l n ALA 110 Ca -0.01 -0.43 -0.35 0.00 0.00 0.00 0.00 53.44 52.64 3h1l n ALA 110 Cb 0.30 -0.50 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 3h1l n ALA 110 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h1l n GLU 111 N -0.89 4.08 -3.80 0.00 1.02 0.31 -4.98 120.64 116.38 3h1l n GLU 111 Ca 0.04 -4.69 -0.12 0.00 -0.02 0.00 0.00 57.16 52.36 3h1l n GLU 111 Cb 0.25 -2.38 -0.09 0.00 -0.02 0.00 0.00 31.44 29.19 3h1l n GLU 111 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h1l s VAL 112 N -3.60 0.06 -0.84 2.62 1.01 -1.26 -4.89 120.40 113.51 3h1l s VAL 112 Ca 0.40 -0.54 -0.25 0.00 0.00 0.00 0.00 61.98 61.59 3h1l s VAL 112 Cb 0.17 -0.53 -0.16 0.00 0.00 0.00 0.00 36.38 35.85 3h1l s VAL 112 CO -0.05 -0.29 2.34 0.47 0.00 0.00 0.00 175.10 177.57 3h1l n ASP 113 N 1.42 1.55 0.00 3.32 8.00 -1.26 -4.74 116.55 124.84 3h1l n ASP 113 Ca -0.22 -1.62 0.00 0.00 0.71 0.00 0.00 54.79 53.66 3h1l n ASP 113 Cb 0.56 -1.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.04 3h1l n ASP 113 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3h1l n VAL 114 N 8.69 0.76 0.38 2.53 0.31 -1.26 -0.03 118.33 129.70 3h1l n VAL 114 Ca 0.46 0.22 0.11 0.00 -0.01 0.00 0.00 64.34 65.12 3h1l n VAL 114 Cb 0.42 -1.22 -0.13 0.00 -0.91 0.00 0.00 33.84 32.00 3h1l n VAL 114 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3h1l n SER 115 N -1.15 0.41 -2.05 4.52 3.41 -1.26 -4.23 113.62 113.26 3h1l n SER 115 Ca 0.00 -0.34 -0.21 0.00 -0.26 0.00 0.00 58.87 58.05 3h1l n SER 115 Cb 0.03 1.52 0.18 0.00 -0.26 0.00 0.00 64.21 65.68 3h1l n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h1l n LYS 116 N -1.99 2.22 -4.33 4.33 5.02 0.95 -4.96 118.16 119.40 3h1l n LYS 116 Ca -0.01 -3.07 -0.33 0.00 -2.02 0.00 0.00 58.31 52.88 3h1l n LYS 116 Cb 0.48 -2.13 -0.09 0.00 -0.02 0.00 0.00 35.03 33.27 3h1l n LYS 116 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h1l s LEU 117 N -3.33 3.49 0.11 -0.35 1.43 -1.25 -5.00 118.68 113.78 3h1l s LEU 117 Ca 0.55 0.02 -0.25 0.00 -1.03 0.00 0.00 54.13 53.42 3h1l s LEU 117 Cb 0.47 -1.95 -0.09 0.00 0.03 0.00 0.00 46.19 44.65 3h1l s LEU 117 CO 0.08 0.31 1.67 -0.09 0.23 0.00 0.00 176.35 178.55 3h1l h ARG 118 N 4.57 -0.31 -4.71 1.70 2.43 -1.92 -3.32 114.38 112.82 3h1l h ARG 118 Ca -0.49 0.02 -0.68 0.00 -0.81 0.00 0.00 59.98 58.02 3h1l h ARG 118 Cb 1.18 0.07 -0.36 0.00 -0.42 0.00 0.00 29.97 30.44 3h1l h ARG 118 CO 0.56 -0.21 -0.69 0.34 -1.51 0.00 0.00 179.97 178.46 3h1l s ASP 119 N -4.93 4.85 -0.38 -3.80 2.15 -1.26 -5.06 116.67 108.24 3h1l s ASP 119 Ca -0.15 -1.70 -0.29 0.00 0.43 0.00 0.00 52.55 50.84 3h1l s ASP 119 Cb 0.08 -1.68 0.01 0.00 -0.30 0.00 0.00 42.92 41.02 3h1l s ASP 119 CO 0.66 -0.34 1.40 -2.16 -0.17 0.00 0.00 175.17 174.56 3h1l s PRO 120 N 1.10 3.64 -0.11 4.34 0.04 -1.25 -4.87 135.00 137.89 3h1l s PRO 120 Ca 0.01 1.02 -0.19 0.00 0.04 0.00 0.00 61.00 61.89 3h1l s PRO 120 Cb -0.20 -4.00 0.04 0.00 0.04 0.00 0.00 34.50 30.38 3h1l s PRO 120 CO -0.04 -1.48 0.47 -0.65 0.04 0.00 0.00 177.00 175.33 3h1l s GLN 121 N 4.80 0.68 -0.16 4.56 -0.21 -1.26 -5.08 119.66 122.99 3h1l s GLN 121 Ca 0.61 0.35 -0.11 0.00 0.02 0.00 0.00 55.36 56.24 3h1l s GLN 121 Cb -0.15 0.32 -0.05 0.00 1.00 0.00 0.00 33.01 34.14 3h1l s GLN 121 CO 0.31 -0.15 0.19 -1.58 -2.12 0.00 0.00 175.29 171.94 3h1l s HIS 122 N -0.45 3.49 0.54 0.91 5.65 -1.26 -4.93 115.29 119.24 3h1l s HIS 122 Ca -0.06 0.50 0.33 0.00 0.25 0.00 0.00 55.06 56.07 3h1l s HIS 122 Cb -0.03 -2.16 1.12 0.00 -1.18 0.00 0.00 32.58 30.32 3h1l s HIS 122 CO 0.03 0.42 1.28 -3.47 -0.65 0.00 0.00 174.74 172.35 3h1l n ASP 123 N 3.02 0.00 -0.05 9.88 2.03 -1.26 -0.72 116.55 129.46 3h1l n ASP 123 Ca -0.16 0.78 -0.16 0.00 0.52 0.00 0.00 54.79 55.77 3h1l n ASP 123 Cb 0.53 -0.32 -0.06 0.00 -0.72 0.00 0.00 41.12 40.55 3h1l n ASP 123 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3h1l h LEU 124 N 0.00 0.86 -2.81 -2.67 3.38 -1.89 -3.18 115.31 109.01 3h1l h LEU 124 Ca 0.61 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3h1l h LEU 124 Cb 2.99 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 43.49 3h1l h LEU 124 CO -0.01 1.30 0.01 -0.90 0.09 0.00 0.00 178.44 178.93 3h1l n ASP 125 N -4.06 4.32 -0.06 -0.43 5.68 0.11 -3.72 116.55 118.39 3h1l n ASP 125 Ca -0.06 -2.66 -0.06 0.00 -0.50 0.00 0.00 54.79 51.50 3h1l n ASP 125 Cb 0.65 -0.63 -0.09 0.00 -1.14 0.00 0.00 41.12 39.90 3h1l n ASP 125 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3h1l n ARG 126 N 0.42 1.99 -4.32 0.11 1.74 -1.21 -4.97 116.66 110.42 3h1l n ARG 126 Ca 0.20 -0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 57.11 3h1l n ARG 126 Cb 0.93 -1.30 -0.10 0.00 -1.02 0.00 0.00 32.46 30.97 3h1l n ARG 126 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3h1l s VAL 127 N -2.28 1.21 -0.03 1.55 -7.23 -1.20 -4.90 120.40 107.51 3h1l s VAL 127 Ca -0.07 -2.07 -0.02 0.00 -1.81 0.00 0.00 61.98 58.01 3h1l s VAL 127 Cb 0.04 -2.17 -0.01 0.00 0.56 0.00 0.00 36.38 34.80 3h1l s VAL 127 CO 0.47 -0.48 -0.04 0.29 -0.31 0.00 0.00 175.10 175.02 3h1l n LYS 128 N -0.36 0.08 -2.96 4.82 5.02 -1.26 -4.78 118.16 118.72 3h1l n LYS 128 Ca -0.07 0.13 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 3h1l n LYS 128 Cb 0.62 -0.74 -0.05 0.00 -0.02 0.00 0.00 35.03 34.85 3h1l n LYS 128 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3h1l s LYS 129 N -1.26 3.77 0.00 1.97 1.02 -1.26 -4.91 119.74 119.07 3h1l s LYS 129 Ca -0.04 0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.28 3h1l s LYS 129 Cb 0.01 -3.80 0.00 0.00 -0.52 0.00 0.00 37.83 33.51 3h1l s LYS 129 CO 0.06 -0.84 0.36 -2.30 -0.92 0.00 0.00 175.35 171.71 3h1l n PRO 130 N 6.40 0.00 -0.00 -1.68 -0.02 -1.26 0.36 135.00 138.79 3h1l n PRO 130 Ca 0.03 0.06 0.05 0.00 -2.02 0.00 0.00 63.50 61.62 3h1l n PRO 130 Cb 0.48 -1.64 -0.06 0.00 -0.02 0.00 0.00 33.50 32.26 3h1l n PRO 130 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3h1l n GLU 131 N -0.86 3.02 -3.96 -0.52 0.00 -1.26 -4.79 120.64 112.26 3h1l n GLU 131 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 57.16 56.84 3h1l n GLU 131 Cb 0.14 -1.04 -0.15 0.00 0.00 0.00 0.00 31.44 30.39 3h1l n GLU 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3h1l s TRP 132 N -2.11 2.82 -0.25 -1.84 0.52 0.16 0.84 118.94 119.07 3h1l s TRP 132 Ca 0.03 -2.16 -0.09 0.00 0.02 0.00 0.00 56.10 53.90 3h1l s TRP 132 Cb 0.08 -1.97 -0.04 0.00 -1.15 0.00 0.00 33.47 30.39 3h1l s TRP 132 CO 0.43 -0.85 0.11 0.54 0.02 0.00 0.00 176.95 177.21 3h1l s VAL 133 N 1.24 4.74 -0.11 4.03 0.11 -0.38 -4.51 120.40 125.52 3h1l s VAL 133 Ca -0.01 -0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.03 3h1l s VAL 133 Cb -0.19 -3.22 -0.01 0.00 -1.53 0.00 0.00 36.38 31.43 3h1l s VAL 133 CO -0.08 0.32 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.21 3h1l s ILE 134 N 1.52 2.75 0.15 7.04 1.01 -1.26 -0.68 121.20 131.72 3h1l s ILE 134 Ca 0.06 -0.78 -0.19 0.00 0.00 0.00 0.00 60.65 59.74 3h1l s ILE 134 Cb -0.15 -2.11 0.05 0.00 0.01 0.00 0.00 42.46 40.25 3h1l s ILE 134 CO 0.06 0.54 0.49 -1.48 0.00 0.00 0.00 174.94 174.56 3h1l s LEU 135 N 0.16 -0.02 -0.45 2.97 0.05 -0.88 -4.33 118.68 116.18 3h1l s LEU 135 Ca -0.09 -0.21 -0.27 0.00 0.05 0.00 0.00 54.13 53.61 3h1l s LEU 135 Cb -0.15 2.17 0.03 0.00 -2.05 0.00 0.00 46.19 46.19 3h1l s LEU 135 CO 0.06 -0.92 1.02 -0.69 -0.55 0.00 0.00 176.35 175.26 3h1l s VAL 136 N -3.79 4.38 -0.61 1.48 1.01 -0.36 0.39 120.40 122.89 3h1l s VAL 136 Ca 0.03 1.03 -0.16 0.00 0.00 0.00 0.00 61.98 62.88 3h1l s VAL 136 Cb 0.00 -4.49 -0.14 0.00 0.00 0.00 0.00 36.38 31.75 3h1l s VAL 136 CO -0.12 -0.86 1.82 0.61 0.00 0.00 0.00 175.10 176.56 3h1l n GLY 137 N 4.79 2.34 2.65 4.51 0.00 -1.16 -4.33 105.19 113.99 3h1l n GLY 137 Ca 0.09 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 3h1l n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1l s VAL 138 N 4.81 -0.04 0.39 1.61 1.01 -1.26 -4.48 120.40 122.43 3h1l s VAL 138 Ca 0.47 0.05 -0.25 0.00 0.00 0.00 0.00 61.98 62.25 3h1l s VAL 138 Cb 0.12 -0.44 -0.11 0.00 0.00 0.00 0.00 36.38 35.95 3h1l s VAL 138 CO 0.09 -0.08 1.07 0.00 0.00 0.00 0.00 175.10 176.18 3h1l n THR 140 N -0.24 0.00 0.00 0.00 -2.24 -1.26 -3.02 114.28 107.52 3h1l n THR 140 Ca 0.08 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3h1l n THR 140 Cb 0.38 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3h1l n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3h1l n HIS 141 N -1.30 0.00 -2.04 4.78 -0.00 -1.26 -4.52 115.22 110.88 3h1l n HIS 141 Ca 0.10 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.87 3h1l n HIS 141 Cb 0.31 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.40 3h1l n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3h1l n LEU 142 N -0.40 1.71 -0.09 0.27 4.77 -1.26 -4.97 117.00 117.03 3h1l n LEU 142 Ca 0.00 -2.78 -0.01 0.00 -0.03 0.00 0.00 56.01 53.19 3h1l n LEU 142 Cb 0.00 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 3h1l n LEU 142 CO 0.00 0.87 -0.01 0.61 -1.33 0.00 0.00 177.39 177.53 3h1l n GLY 143 N -0.28 0.51 3.90 -0.72 0.00 -1.17 -5.04 105.19 102.39 3h1l n GLY 143 Ca 0.11 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 3h1l n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1l s VAL 145 N -3.32 4.97 0.25 0.00 1.01 -1.26 -1.17 120.40 120.87 3h1l s VAL 145 Ca 0.58 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 3h1l s VAL 145 Cb -0.11 -4.10 -0.14 0.00 0.00 0.00 0.00 36.38 32.03 3h1l s VAL 145 CO 0.49 -0.47 1.23 -2.65 0.00 0.00 0.00 175.10 173.70 3h1l n PRO 146 N 5.90 1.66 -2.86 2.72 -0.02 -1.26 -4.76 135.00 136.38 3h1l n PRO 146 Ca -0.05 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.61 3h1l n PRO 146 Cb 0.48 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 3h1l n PRO 146 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h1l s ILE 147 N -0.48 4.88 0.30 4.25 1.01 0.33 -4.74 121.20 126.75 3h1l s ILE 147 Ca 0.65 1.80 -0.28 0.00 0.00 0.00 0.00 60.65 62.82 3h1l s ILE 147 Cb -0.70 -4.20 -0.09 0.00 0.01 0.00 0.00 42.46 37.47 3h1l s ILE 147 CO 0.55 0.23 1.07 0.00 0.00 0.00 0.00 174.94 176.78 3h1l s ALA 148 N 0.73 3.33 -0.53 9.38 0.00 -1.26 -0.93 121.76 132.48 3h1l s ALA 148 Ca 0.45 0.81 -0.11 0.00 0.00 0.00 0.00 51.96 53.11 3h1l s ALA 148 Cb -0.20 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.64 3h1l s ALA 148 CO 0.24 -0.12 0.63 0.09 0.00 0.00 0.00 175.76 176.61 3h1l n ASN 149 N 0.96 -7.88 -3.90 0.00 3.02 -0.59 -4.95 115.26 101.91 3h1l n ASN 149 Ca 0.00 0.34 0.04 0.00 -0.03 0.00 0.00 54.58 54.92 3h1l n ASN 149 Cb 0.46 -5.33 0.01 0.00 -0.61 0.00 0.00 39.78 34.31 3h1l n ASN 149 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3h1l s SER 150 N -2.72 0.00 0.00 6.41 1.04 -1.25 -5.01 113.70 112.16 3h1l s SER 150 Ca 0.17 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.51 3h1l s SER 150 Cb -0.05 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.14 3h1l s SER 150 CO 0.77 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.46 3h1l n GLY 151 N -0.91 -1.20 1.53 7.32 0.00 -1.26 -3.63 105.19 107.04 3h1l n GLY 151 Ca 0.04 -1.61 -0.02 0.00 0.00 0.00 0.00 46.02 44.42 3h1l n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h1l n ASP 152 N -1.85 3.86 -1.30 1.61 8.00 -1.26 -3.92 116.55 121.68 3h1l n ASP 152 Ca 0.00 -2.75 0.04 0.00 0.71 0.00 0.00 54.79 52.79 3h1l n ASP 152 Cb 0.00 -0.65 0.03 0.00 -0.02 0.00 0.00 41.12 40.48 3h1l n ASP 152 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3h1l n PHE 153 N 0.07 0.00 -4.15 1.24 3.01 -1.26 -5.01 117.46 111.36 3h1l n PHE 153 Ca 0.25 -0.52 -0.35 0.00 1.01 0.00 0.00 57.45 57.84 3h1l n PHE 153 Cb 1.00 -0.15 -0.07 0.00 -0.01 0.00 0.00 39.48 40.25 3h1l n PHE 153 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3h1l n GLY 154 N 0.30 -0.29 0.00 1.37 0.00 -1.25 -3.74 105.19 101.57 3h1l n GLY 154 Ca 0.06 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3h1l n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1l n GLY 155 N -1.31 0.71 3.12 -0.02 0.00 -1.18 -3.69 105.19 102.83 3h1l n GLY 155 Ca 0.02 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3h1l n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h1l s TYR 156 N 0.20 0.69 -0.06 1.61 1.51 0.16 -1.54 117.35 119.92 3h1l s TYR 156 Ca 0.00 -1.06 -0.02 0.00 -1.01 0.00 0.00 57.07 54.98 3h1l s TYR 156 Cb 0.00 -0.45 0.04 0.00 -0.11 0.00 0.00 41.96 41.44 3h1l s TYR 156 CO 0.00 -0.34 0.11 -0.47 -1.11 0.00 0.00 175.55 173.74 3h1l s TYR 157 N -3.86 -0.08 -0.43 2.71 5.04 -0.11 -0.75 117.35 119.88 3h1l s TYR 157 Ca 0.11 0.42 -0.23 0.00 -2.44 0.00 0.00 57.07 54.93 3h1l s TYR 157 Cb 0.07 -0.28 0.02 0.00 0.35 0.00 0.00 41.96 42.12 3h1l s TYR 157 CO -0.06 -0.20 0.77 0.00 -1.34 0.00 0.00 175.55 174.72 3h1l n PRO 159 N 6.61 0.12 0.30 0.00 -0.04 -1.26 -1.99 135.00 138.74 3h1l n PRO 159 Ca 0.02 0.44 -0.13 0.00 -0.04 0.00 0.00 63.50 63.79 3h1l n PRO 159 Cb 0.48 -1.78 -0.06 0.00 -0.04 0.00 0.00 33.50 32.10 3h1l n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1l n HIS 161 N -5.31 0.00 -2.49 0.00 8.25 -1.24 -5.05 115.22 109.37 3h1l n HIS 161 Ca -0.10 -0.59 -0.08 0.00 -0.26 0.00 0.00 57.72 56.69 3h1l n HIS 161 Cb 0.32 -0.10 0.04 0.00 1.12 0.00 0.00 29.99 31.37 3h1l n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h1l n GLY 162 N -0.84 -0.00 3.85 -1.41 0.00 -0.84 -4.55 105.19 101.39 3h1l n GLY 162 Ca 0.09 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3h1l n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h1l s SER 163 N -3.41 6.22 -0.19 1.61 0.01 -1.22 -4.15 113.70 112.58 3h1l s SER 163 Ca 0.11 0.42 -0.03 0.00 1.31 0.00 0.00 55.95 57.75 3h1l s SER 163 Cb -0.01 -1.99 -0.02 0.00 0.21 0.00 0.00 66.02 64.21 3h1l s SER 163 CO 0.35 0.40 -0.05 -1.00 0.41 0.00 0.00 173.24 173.34 3h1l s HIS 164 N -0.97 2.95 0.12 2.43 0.09 0.27 -1.57 115.29 118.63 3h1l s HIS 164 Ca 0.15 -0.68 0.10 0.00 -0.00 0.00 0.00 55.06 54.62 3h1l s HIS 164 Cb -0.12 -2.02 -0.04 0.00 -0.00 0.00 0.00 32.58 30.40 3h1l s HIS 164 CO 0.04 -0.34 -0.20 0.71 -0.00 0.00 0.00 174.74 174.95 3h1l s TYR 165 N 0.98 2.48 0.77 1.40 1.51 0.07 -0.91 117.35 123.65 3h1l s TYR 165 Ca -0.00 -0.29 -0.03 0.00 -1.01 0.00 0.00 57.07 55.74 3h1l s TYR 165 Cb -0.15 -1.31 0.15 0.00 -0.11 0.00 0.00 41.96 40.54 3h1l s TYR 165 CO 0.01 0.38 1.06 0.16 -1.11 0.00 0.00 175.55 176.05 3h1l s ASP 166 N -2.16 4.06 0.00 2.29 1.47 -0.76 0.37 116.67 121.94 3h1l s ASP 166 Ca 0.17 -0.36 0.02 0.00 1.18 0.00 0.00 52.55 53.56 3h1l s ASP 166 Cb -0.10 0.09 0.10 0.00 -0.34 0.00 0.00 42.92 42.67 3h1l s ASP 166 CO 0.09 -2.07 0.66 0.00 0.68 0.00 0.00 175.17 174.53 3h1l n ALA 167 N -3.01 1.50 0.71 2.11 0.00 -1.24 -0.02 120.51 120.56 3h1l n ALA 167 Ca 0.16 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.66 3h1l n ALA 167 Cb 0.61 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.95 3h1l n ALA 167 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h1l n SER 168 N -1.07 0.77 0.00 0.00 2.88 -1.26 -4.93 113.62 110.01 3h1l n SER 168 Ca 0.01 -0.89 0.00 0.00 -1.33 0.00 0.00 58.87 56.67 3h1l n SER 168 Cb 0.01 0.96 0.00 0.00 -0.75 0.00 0.00 64.21 64.43 3h1l n SER 168 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h1l n GLY 169 N 1.34 0.51 3.86 0.46 0.00 0.97 -4.91 105.19 107.42 3h1l n GLY 169 Ca 0.03 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 3h1l n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h1l s ARG 170 N -1.95 3.83 -0.19 1.61 0.52 -1.26 0.08 118.95 121.59 3h1l s ARG 170 Ca 0.00 0.28 -0.29 0.00 -0.52 0.00 0.00 55.73 55.20 3h1l s ARG 170 Cb 0.00 -2.95 0.00 0.00 0.52 0.00 0.00 34.95 32.52 3h1l s ARG 170 CO 0.00 0.51 1.08 -1.50 0.02 0.00 0.00 175.30 175.41 3h1l s ILE 171 N -1.46 4.60 -0.04 1.52 1.10 -1.26 -1.83 121.20 123.84 3h1l s ILE 171 Ca 0.36 1.92 0.04 0.00 -0.51 0.00 0.00 60.65 62.47 3h1l s ILE 171 Cb -0.14 -4.24 -0.06 0.00 0.15 0.00 0.00 42.46 38.17 3h1l s ILE 171 CO 0.19 -0.13 0.03 0.54 -2.11 0.00 0.00 174.94 173.45 3h1l n ARG 172 N 6.10 2.82 -3.62 3.50 5.12 -0.09 -4.34 116.66 126.15 3h1l n ARG 172 Ca 0.12 -0.01 -0.15 0.00 -1.93 0.00 0.00 57.85 55.88 3h1l n ARG 172 Cb 0.46 -1.12 -0.07 0.00 -1.16 0.00 0.00 32.46 30.57 3h1l n ARG 172 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3h1l s LYS 173 N -2.14 0.84 0.00 5.56 2.20 -1.14 -4.98 119.74 120.07 3h1l s LYS 173 Ca -0.02 0.48 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 3h1l s LYS 173 Cb 0.02 0.40 0.00 0.00 -1.51 0.00 0.00 37.83 36.74 3h1l s LYS 173 CO 0.19 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 3h1l n GLY 174 N 1.83 -0.28 0.01 5.54 0.00 -1.26 0.95 105.19 111.98 3h1l n GLY 174 Ca -0.17 -2.25 0.13 0.00 0.00 0.00 0.00 46.02 43.73 3h1l n GLY 174 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h1l n PRO 175 N -0.13 0.07 -1.70 1.61 -0.04 -1.26 -4.94 135.00 128.61 3h1l n PRO 175 Ca 0.00 -0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 63.00 3h1l n PRO 175 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 3h1l n PRO 175 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1l n ALA 176 N -1.44 1.47 -0.04 0.55 0.00 -1.26 -4.87 120.51 114.93 3h1l n ALA 176 Ca 0.07 0.38 -0.17 0.00 0.00 0.00 0.00 53.44 53.72 3h1l n ALA 176 Cb 0.33 -2.30 -0.13 0.00 0.00 0.00 0.00 19.45 17.35 3h1l n ALA 176 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3h1l h PRO 177 N 3.51 0.10 -5.55 0.00 0.13 -1.92 -3.48 132.00 124.79 3h1l h PRO 177 Ca -0.46 -0.17 -0.62 0.00 -0.87 0.00 0.00 66.00 63.88 3h1l h PRO 177 Cb 1.27 0.06 -0.13 0.00 0.13 0.00 0.00 31.00 32.33 3h1l h PRO 177 CO 0.70 1.08 -0.59 0.71 -0.23 0.00 0.00 178.00 179.67 3h1l s TYR 178 N -2.32 2.37 0.42 1.56 2.02 -1.26 -4.57 117.35 115.58 3h1l s TYR 178 Ca -0.19 -0.74 -0.22 0.00 -0.37 0.00 0.00 57.07 55.55 3h1l s TYR 178 Cb -0.00 -1.71 -0.10 0.00 -0.40 0.00 0.00 41.96 39.75 3h1l s TYR 178 CO 0.72 0.37 0.99 -0.80 -1.57 0.00 0.00 175.55 175.26 3h1l s ASN 179 N -3.71 6.80 0.33 2.29 0.01 -1.26 -4.49 114.94 114.90 3h1l s ASN 179 Ca 0.31 1.84 -0.26 0.00 -0.71 0.00 0.00 52.86 54.04 3h1l s ASN 179 Cb 0.09 -2.56 -0.14 0.00 0.41 0.00 0.00 41.25 39.05 3h1l s ASN 179 CO 0.16 -0.46 0.71 0.18 -1.51 0.00 0.00 177.10 176.18 3h1l n LEU 180 N -0.46 0.38 -4.76 0.60 4.77 0.11 -4.85 117.00 112.79 3h1l n LEU 180 Ca 0.07 1.06 -0.41 0.00 -0.03 0.00 0.00 56.01 56.69 3h1l n LEU 180 Cb 0.52 -1.14 -0.03 0.00 -2.33 0.00 0.00 43.42 40.44 3h1l n LEU 180 CO 0.40 -2.36 0.95 -0.70 -1.33 0.00 0.00 177.39 174.34 3h1l s GLU 181 N -1.45 4.42 -0.38 3.23 2.12 -1.26 -4.89 118.70 120.49 3h1l s GLU 181 Ca 0.62 2.09 -0.11 0.00 0.36 0.00 0.00 54.97 57.93 3h1l s GLU 181 Cb -0.71 -3.13 0.03 0.00 0.26 0.00 0.00 34.13 30.58 3h1l s GLU 181 CO 0.58 -0.13 0.22 0.08 -0.54 0.00 0.00 175.26 175.47 3h1l s VAL 182 N -0.74 4.59 0.20 3.70 1.01 -1.26 -1.22 120.40 126.67 3h1l s VAL 182 Ca 0.51 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 3h1l s VAL 182 Cb -0.37 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.47 3h1l s VAL 182 CO 0.46 -0.27 0.11 -0.81 0.00 0.00 0.00 175.10 174.59 3h1l n PRO 183 N 5.00 -1.89 -3.65 2.72 -0.04 -1.26 -4.97 135.00 130.91 3h1l n PRO 183 Ca -0.12 -0.19 -0.39 0.00 -0.04 0.00 0.00 63.50 62.77 3h1l n PRO 183 Cb 0.46 -0.26 -0.09 0.00 -0.04 0.00 0.00 33.50 33.57 3h1l n PRO 183 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3h1l s THR 184 N -1.05 3.89 0.27 0.52 2.01 -1.26 -5.03 115.64 114.98 3h1l s THR 184 Ca 0.09 -2.21 0.00 0.00 0.31 0.00 0.00 61.69 59.88 3h1l s THR 184 Cb -0.02 -3.57 -0.00 0.00 0.01 0.00 0.00 72.50 68.92 3h1l s THR 184 CO 0.07 -0.79 0.01 0.00 -0.69 0.00 0.00 174.62 173.22 3h1l n TYR 185 N 4.39 0.57 -3.57 4.92 0.18 -1.26 -1.48 117.16 120.91 3h1l n TYR 185 Ca -0.01 -1.40 -0.14 0.00 1.88 0.00 0.00 57.90 58.24 3h1l n TYR 185 Cb 0.41 -0.16 -0.06 0.00 -0.38 0.00 0.00 39.34 39.15 3h1l n TYR 185 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 3h1l s GLN 186 N -2.99 0.78 -0.59 -3.48 0.74 -0.61 -4.98 119.66 108.53 3h1l s GLN 186 Ca 0.02 0.36 -0.17 0.00 0.05 0.00 0.00 55.36 55.62 3h1l s GLN 186 Cb 0.00 0.37 0.13 0.00 1.10 0.00 0.00 33.01 34.61 3h1l s GLN 186 CO 0.01 -0.21 0.59 -0.06 -0.55 0.00 0.00 175.29 175.07 3h1l s PHE 187 N -0.75 3.22 -0.40 1.67 0.08 -1.26 -1.60 117.98 118.94 3h1l s PHE 187 Ca -0.04 -1.26 0.05 0.00 0.12 0.00 0.00 56.93 55.80 3h1l s PHE 187 Cb -0.02 -3.87 0.47 0.00 -0.57 0.00 0.00 43.02 39.04 3h1l s PHE 187 CO 0.04 -1.10 1.51 1.33 -0.10 0.00 0.00 175.22 176.89 3h1l n VAL 188 N 5.23 2.85 -3.49 -0.44 0.24 -1.25 -5.02 118.33 116.45 3h1l n VAL 188 Ca -0.10 -3.45 -0.05 0.00 -2.04 0.00 0.00 64.34 58.70 3h1l n VAL 188 Cb 0.41 -0.91 0.02 0.00 -1.47 0.00 0.00 33.84 31.89 3h1l n VAL 188 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h1l n GLY 189 N -0.89 1.37 0.08 7.63 0.00 -1.21 -4.94 105.19 107.22 3h1l n GLY 189 Ca 0.46 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 3h1l n GLY 189 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h1l h ASP 190 N 1.21 0.06 -1.16 1.61 3.32 -2.03 -3.41 116.42 116.03 3h1l h ASP 190 Ca -0.21 -0.99 -0.39 0.00 0.02 0.00 0.00 57.03 55.46 3h1l h ASP 190 Cb 0.76 -0.02 -0.29 0.00 0.22 0.00 0.00 39.33 40.00 3h1l h ASP 190 CO 0.26 1.06 -0.87 -0.90 -1.72 0.00 0.00 179.24 177.07 3h1l n ASP 191 N -4.54 -0.76 -3.20 6.45 5.75 -1.26 -5.03 116.55 113.95 3h1l n ASP 191 Ca -0.11 -3.16 0.00 0.00 -0.01 0.00 0.00 54.79 51.52 3h1l n ASP 191 Cb 0.53 0.44 -0.01 0.00 -1.03 0.00 0.00 41.12 41.04 3h1l n ASP 191 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3h1l s LEU 192 N -1.79 -1.42 0.18 -2.12 2.96 -1.26 -2.63 118.68 112.60 3h1l s LEU 192 Ca 0.33 -0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 53.85 3h1l s LEU 192 Cb 0.27 1.83 -0.05 0.00 0.50 0.00 0.00 46.19 48.74 3h1l s LEU 192 CO -0.11 -0.25 0.41 0.54 -1.32 0.00 0.00 176.35 175.62 3h1l s VAL 193 N 2.33 5.16 -0.20 1.68 0.11 -0.28 -3.31 120.40 125.89 3h1l s VAL 193 Ca 0.13 -0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 3h1l s VAL 193 Cb -0.08 -3.67 0.05 0.00 -1.53 0.00 0.00 36.38 31.14 3h1l s VAL 193 CO -0.18 -0.08 -0.07 -0.69 -3.33 0.00 0.00 175.10 170.75 3h1l s VAL 194 N -1.79 1.39 0.13 2.04 1.01 -0.63 -0.69 120.40 121.86 3h1l s VAL 194 Ca 0.41 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 3h1l s VAL 194 Cb -0.12 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 3h1l s VAL 194 CO 0.27 0.07 0.36 -0.69 0.00 0.00 0.00 175.10 175.11 3h1l s VAL 195 N 1.50 5.19 0.00 2.92 1.01 -0.63 -1.58 120.40 128.81 3h1l s VAL 195 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3h1l s VAL 195 Cb -0.17 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3h1l s VAL 195 CO -0.08 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.69