#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m8m s VAL 2 N 0.00 3.71 0.65 0.00 1.01 -1.26 -0.32 120.40 124.19 3m8m s VAL 2 Ca 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 3m8m s VAL 2 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.70 3m8m s VAL 2 CO 0.00 0.43 1.02 0.00 0.00 0.00 0.00 175.10 176.55 3m8m h PRO 4 N -0.44 0.00 0.00 0.00 0.11 -1.95 0.19 132.00 129.92 3m8m h PRO 4 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3m8m h PRO 4 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3m8m h PRO 4 CO 0.63 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 3m8m n ASP 5 N -4.33 0.00 0.00 -2.05 5.75 -1.26 -4.89 116.55 109.76 3m8m n ASP 5 Ca 0.02 -0.82 0.00 0.00 -0.01 0.00 0.00 54.79 53.98 3m8m n ASP 5 Cb 0.32 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 3m8m n ASP 5 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3m8m n GLY 6 N 0.88 1.22 3.71 6.12 0.00 0.66 -5.03 105.19 112.75 3m8m n GLY 6 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3m8m n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m8m s THR 7 N -2.53 3.65 -0.11 2.61 2.01 -1.26 -4.68 115.64 115.34 3m8m s THR 7 Ca 0.00 1.18 -0.23 0.00 0.31 0.00 0.00 61.69 62.95 3m8m s THR 7 Cb 0.00 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 3m8m s THR 7 CO 0.00 0.09 0.70 -0.60 -0.69 0.00 0.00 174.62 174.11 3m8m s ARG 8 N 1.12 4.36 0.23 4.92 3.52 -1.26 -0.43 118.95 131.42 3m8m s ARG 8 Ca 0.62 0.83 0.03 0.00 -0.13 0.00 0.00 55.73 57.08 3m8m s ARG 8 Cb -0.33 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.51 3m8m s ARG 8 CO 0.30 -0.06 0.01 0.14 -0.81 0.00 0.00 175.30 174.88 3m8m s VAL 9 N 1.24 0.98 0.15 7.11 -7.23 0.56 -4.97 120.40 118.24 3m8m s VAL 9 Ca 0.35 -2.03 -0.18 0.00 -1.81 0.00 0.00 61.98 58.31 3m8m s VAL 9 Cb -0.17 -2.38 0.03 0.00 0.56 0.00 0.00 36.38 34.42 3m8m s VAL 9 CO 0.15 -0.29 1.69 0.77 -0.31 0.00 0.00 175.10 177.11 3m8m h SER 10 N 2.46 -0.23 -3.82 4.85 4.64 -1.91 0.52 113.55 120.05 3m8m h SER 10 Ca -0.38 0.08 -0.21 0.00 -0.47 0.00 0.00 61.79 60.81 3m8m h SER 10 Cb 1.22 0.17 -0.27 0.00 -0.31 0.00 0.00 62.40 63.21 3m8m h SER 10 CO 0.64 -0.08 -0.63 -1.00 -0.87 0.00 0.00 176.83 174.89 3m8m s HIS 11 N -6.20 -0.07 0.38 4.77 3.76 -1.26 -4.29 115.29 112.38 3m8m s HIS 11 Ca -0.14 0.17 0.10 0.00 -0.15 0.00 0.00 55.06 55.04 3m8m s HIS 11 Cb 0.12 0.02 0.87 0.00 1.11 0.00 0.00 32.58 34.70 3m8m s HIS 11 CO 0.70 -0.05 1.93 0.00 -0.85 0.00 0.00 174.74 176.47 3m8m h ALA 12 N 5.95 1.87 0.00 -1.40 0.00 -1.91 -0.58 119.26 123.20 3m8m h ALA 12 Ca -0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3m8m h ALA 12 Cb 1.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3m8m h ALA 12 CO 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.66 3m8m n ALA 13 N -2.47 1.51 0.55 0.00 0.00 -1.26 -1.74 120.51 117.10 3m8m n ALA 13 Ca 0.13 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.78 3m8m n ALA 13 Cb 0.38 -1.33 0.29 0.00 0.00 0.00 0.00 19.45 18.79 3m8m n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m8m h ALA 16 N 1.43 1.00 0.00 0.00 0.00 -1.80 -1.93 119.26 117.97 3m8m h ALA 16 Ca 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 3m8m h ALA 16 Cb 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3m8m h ALA 16 CO -0.22 0.00 -0.11 0.74 0.00 0.00 0.00 179.25 179.66 3m8m h PHE 17 N 0.00 0.00 0.62 0.00 -1.00 -1.68 -3.08 116.94 111.80 3m8m h PHE 17 Ca 0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 3m8m h PHE 17 Cb 0.26 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.82 3m8m h PHE 17 CO 0.00 0.11 -0.30 0.82 -1.61 0.00 0.00 178.31 177.33 3m8m h ILE 18 N 0.00 0.35 0.00 -0.55 2.04 -1.49 -0.02 117.51 117.84 3m8m h ILE 18 Ca -0.00 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 3m8m h ILE 18 Cb 0.70 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3m8m h ILE 18 CO 0.01 0.02 -0.23 1.55 0.00 0.00 0.00 178.15 179.50 3m8m h PRO 19 N -0.94 0.00 -0.11 2.37 0.13 -1.74 -2.06 132.00 129.66 3m8m h PRO 19 Ca -0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 3m8m h PRO 19 Cb 0.67 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 3m8m h PRO 19 CO 0.14 0.23 0.04 1.25 -0.23 0.00 0.00 178.00 179.43 3m8m h LEU 20 N 0.00 0.15 -0.42 1.56 5.85 -1.41 -0.51 115.31 120.54 3m8m h LEU 20 Ca -0.00 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.57 3m8m h LEU 20 Cb 0.48 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3m8m h LEU 20 CO 0.03 0.30 0.19 0.00 -0.34 0.00 0.00 178.44 178.62 3m8m h ALA 21 N 0.86 0.51 -0.71 1.25 0.00 -0.61 0.38 119.26 120.95 3m8m h ALA 21 Ca 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3m8m h ALA 21 Cb 0.20 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3m8m h ALA 21 CO -0.00 -0.19 0.43 1.96 0.00 0.00 0.00 179.25 181.45 3m8m h GLN 22 N 0.38 0.96 -0.53 0.00 4.20 -1.20 -0.75 115.11 118.17 3m8m h GLN 22 Ca 0.18 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 3m8m h GLN 22 Cb 0.12 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3m8m h GLN 22 CO -0.15 0.68 0.13 0.22 -0.67 0.00 0.00 178.83 179.04 3m8m h ASP 23 N 0.96 0.80 -0.50 1.46 3.58 -0.69 -0.16 116.42 121.87 3m8m h ASP 23 Ca 0.25 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 3m8m h ASP 23 Cb -0.03 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 3m8m h ASP 23 CO -0.05 0.82 0.29 -0.07 -2.88 0.00 0.00 179.24 177.35 3m8m h LEU 24 N 0.74 0.62 -0.17 2.28 3.38 -0.67 -0.03 115.31 121.46 3m8m h LEU 24 Ca 0.17 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3m8m h LEU 24 Cb 0.34 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3m8m h LEU 24 CO 0.00 0.52 0.05 1.56 0.09 0.00 0.00 178.44 180.66 3m8m h GLN 25 N 0.67 0.26 -0.52 1.13 1.08 -0.98 -0.59 115.11 116.17 3m8m h GLN 25 Ca 0.18 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.23 3m8m h GLN 25 Cb 0.03 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 3m8m h GLN 25 CO -0.03 0.38 -0.05 0.93 -0.95 0.00 0.00 178.83 179.11 3m8m h GLU 26 N 0.09 0.91 0.03 1.46 5.08 -0.90 0.50 114.58 121.75 3m8m h GLU 26 Ca 0.05 -0.29 -0.24 0.00 -1.00 0.00 0.00 59.36 57.88 3m8m h GLU 26 Cb 0.23 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3m8m h GLU 26 CO -0.00 0.93 -1.32 1.15 -1.00 0.00 0.00 179.01 178.77 3m8m h THR 27 N 0.83 0.93 0.00 1.13 2.02 -0.93 -3.42 112.91 113.47 3m8m h THR 27 Ca 0.15 -2.24 -0.04 0.00 0.77 0.00 0.00 66.41 65.05 3m8m h THR 27 Cb 0.56 2.39 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 3m8m h THR 27 CO 0.03 0.47 -1.19 2.30 0.37 0.00 0.00 175.52 177.50 3m8m n ILE 28 N -4.24 0.15 -0.09 3.11 -5.35 -0.32 -4.77 119.36 107.86 3m8m n ILE 28 Ca -0.30 -0.11 -0.09 0.00 -0.27 0.00 0.00 62.75 61.98 3m8m n ILE 28 Cb 0.75 -0.58 -0.13 0.00 -1.74 0.00 0.00 39.64 37.94 3m8m n ILE 28 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3m8m n PHE 29 N -1.98 0.00 -3.77 4.28 0.99 -0.66 -4.62 117.46 111.69 3m8m n PHE 29 Ca -0.04 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.12 3m8m n PHE 29 Cb 0.46 -0.84 0.01 0.00 -1.00 0.00 0.00 39.48 38.12 3m8m n PHE 29 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3m8m n GLN 30 N -2.65 -4.79 -1.47 -1.08 3.00 0.18 -1.16 117.38 109.40 3m8m n GLN 30 Ca -0.28 0.57 -0.16 0.00 -0.01 0.00 0.00 57.00 57.12 3m8m n GLN 30 Cb 1.05 -5.41 -0.07 0.00 0.00 0.00 0.00 30.24 25.81 3m8m n GLN 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3m8m n ASN 31 N -2.68 -5.53 -4.72 1.08 5.03 -1.26 -4.97 115.26 102.22 3m8m n ASN 31 Ca 0.03 0.40 -0.28 0.00 0.87 0.00 0.00 54.58 55.60 3m8m n ASN 31 Cb 0.53 -4.46 -0.07 0.00 -1.02 0.00 0.00 39.78 34.76 3m8m n ASN 31 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3m8m s GLU 32 N -3.37 2.65 -0.64 3.52 0.41 -0.31 -4.80 118.70 116.16 3m8m s GLU 32 Ca 0.00 -0.89 -0.04 0.00 -0.41 0.00 0.00 54.97 53.63 3m8m s GLU 32 Cb 0.00 -2.55 0.11 0.00 -1.78 0.00 0.00 34.13 29.91 3m8m s GLU 32 CO 0.00 0.51 2.62 0.00 -0.49 0.00 0.00 175.26 177.89 3m8m n GLY 34 N 0.83 2.79 0.28 0.00 0.00 -1.26 -4.47 105.19 103.36 3m8m n GLY 34 Ca 0.51 -2.05 -0.07 0.00 0.00 0.00 0.00 46.02 44.41 3m8m n GLY 34 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3m8m h GLU 35 N 0.00 -0.20 -0.29 1.61 4.57 -1.92 0.15 114.58 118.50 3m8m h GLU 35 Ca 0.00 0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.07 3m8m h GLU 35 Cb 0.00 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 3m8m h GLU 35 CO 0.00 -0.13 -0.34 -0.44 -1.18 0.00 0.00 179.01 176.92 3m8m h ASP 36 N -0.21 0.65 -0.04 1.04 3.45 -1.93 -1.63 116.42 117.76 3m8m h ASP 36 Ca 0.17 -0.27 0.00 0.00 0.43 0.00 0.00 57.03 57.36 3m8m h ASP 36 Cb 0.47 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 39.06 3m8m h ASP 36 CO -0.46 0.94 0.03 0.00 -1.57 0.00 0.00 179.24 178.18 3m8m h ALA 37 N 1.10 0.06 -0.64 3.45 0.00 -1.67 -2.29 119.26 119.26 3m8m h ALA 37 Ca 0.06 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3m8m h ALA 37 Cb 0.83 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 3m8m h ALA 37 CO 0.07 -0.43 0.29 0.45 0.00 0.00 0.00 179.25 179.62 3m8m h HIS 38 N 0.03 0.51 -0.66 0.00 3.86 -0.72 -0.85 115.15 117.32 3m8m h HIS 38 Ca 0.02 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3m8m h HIS 38 Cb 0.02 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.33 3m8m h HIS 38 CO -0.07 0.17 0.35 0.93 0.86 0.00 0.00 177.93 180.17 3m8m h GLU 39 N 0.50 0.92 -0.65 2.45 5.08 -1.14 -1.50 114.58 120.25 3m8m h GLU 39 Ca 0.32 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.49 3m8m h GLU 39 Cb 0.35 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3m8m h GLU 39 CO -0.28 0.70 0.10 0.28 -1.00 0.00 0.00 179.01 178.82 3m8m h VAL 40 N 0.90 1.26 -0.43 3.13 2.07 -0.94 -1.69 116.25 120.55 3m8m h VAL 40 Ca 0.23 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 3m8m h VAL 40 Cb 0.05 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3m8m h VAL 40 CO -0.04 0.38 0.25 0.40 0.02 0.00 0.00 177.57 178.59 3m8m h ILE 41 N 0.99 1.15 -0.70 4.57 2.04 -0.74 -1.21 117.51 123.61 3m8m h ILE 41 Ca 0.20 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.73 3m8m h ILE 41 Cb 0.43 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 3m8m h ILE 41 CO 0.01 0.15 0.45 -0.09 0.00 0.00 0.00 178.15 178.67 3m8m h ARG 42 N 0.57 0.87 -0.53 2.37 2.43 -1.12 -2.40 114.38 116.57 3m8m h ARG 42 Ca 0.15 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3m8m h ARG 42 Cb 0.02 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 3m8m h ARG 42 CO -0.03 0.57 0.35 1.25 -1.51 0.00 0.00 179.97 180.61 3m8m h LEU 43 N 0.89 0.61 -0.75 3.80 5.85 -0.76 -1.41 115.31 123.54 3m8m h LEU 43 Ca 0.27 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.04 3m8m h LEU 43 Cb -0.03 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.79 3m8m h LEU 43 CO -0.09 0.44 0.44 0.74 -0.34 0.00 0.00 178.44 179.63 3m8m h THR 44 N 0.71 1.00 -0.05 1.05 2.02 -0.71 0.17 112.91 117.12 3m8m h THR 44 Ca 0.20 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 3m8m h THR 44 Cb -0.07 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.46 3m8m h THR 44 CO -0.04 0.15 -0.02 0.15 0.37 0.00 0.00 175.52 176.12 3m8m h PHE 45 N 0.81 0.11 -0.23 3.16 -0.00 -1.36 -2.29 116.94 117.13 3m8m h PHE 45 Ca 0.33 -0.03 -0.07 0.00 -0.00 0.00 0.00 57.97 58.20 3m8m h PHE 45 Cb 0.18 -0.03 -0.01 0.00 -0.00 0.00 0.00 35.95 36.09 3m8m h PHE 45 CO -0.06 0.47 -0.18 0.45 -0.00 0.00 0.00 178.31 178.99 3m8m h HIS 46 N -0.28 0.44 0.14 0.41 3.86 -0.89 -0.90 115.15 117.93 3m8m h HIS 46 Ca 0.01 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 3m8m h HIS 46 Cb 0.44 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.80 3m8m h HIS 46 CO 0.06 0.57 -0.07 0.22 0.86 0.00 0.00 177.93 179.58 3m8m h ASP 47 N 0.37 -0.16 -0.43 2.45 -0.00 -0.70 -3.34 116.42 114.61 3m8m h ASP 47 Ca 0.06 -0.14 -0.12 0.00 -0.00 0.00 0.00 57.03 56.84 3m8m h ASP 47 Cb 0.54 0.04 -0.01 0.00 -0.00 0.00 0.00 39.33 39.90 3m8m h ASP 47 CO 0.04 0.04 -0.21 0.00 -0.00 0.00 0.00 179.24 179.11 3m8m h ALA 48 N 0.48 0.60 0.00 -0.78 0.00 -0.93 -3.28 119.26 115.34 3m8m h ALA 48 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3m8m h ALA 48 Cb 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3m8m h ALA 48 CO 0.03 0.57 0.00 1.51 0.00 0.00 0.00 179.25 181.36 3m8m n ILE 49 N -4.19 0.31 -2.53 0.00 0.13 -0.39 -3.69 119.36 109.01 3m8m n ILE 49 Ca -0.01 -0.03 -0.43 0.00 -1.10 0.00 0.00 62.75 61.18 3m8m n ILE 49 Cb 0.44 -0.62 0.00 0.00 -0.84 0.00 0.00 39.64 38.63 3m8m n ILE 49 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3m8m n ALA 50 N -1.59 4.06 -3.45 1.51 0.00 -1.24 -4.78 120.51 115.03 3m8m n ALA 50 Ca 0.06 -3.99 -0.17 0.00 0.00 0.00 0.00 53.44 49.35 3m8m n ALA 50 Cb 0.34 -3.42 -0.07 0.00 0.00 0.00 0.00 19.45 16.30 3m8m n ALA 50 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3m8m s ILE 51 N 3.13 0.01 -0.10 0.00 2.07 -1.26 -2.35 121.20 122.70 3m8m s ILE 51 Ca 0.49 -0.11 -0.04 0.00 -1.41 0.00 0.00 60.65 59.58 3m8m s ILE 51 Cb 0.04 -0.90 0.05 0.00 0.13 0.00 0.00 42.46 41.79 3m8m s ILE 51 CO 0.03 -0.06 0.21 -0.55 -1.91 0.00 0.00 174.94 172.65 3m8m s SER 52 N -1.11 0.48 0.16 4.50 0.15 -1.26 -4.21 113.70 112.41 3m8m s SER 52 Ca -0.11 0.45 -0.16 0.00 0.70 0.00 0.00 55.95 56.83 3m8m s SER 52 Cb -0.02 0.45 0.04 0.00 -1.71 0.00 0.00 66.02 64.79 3m8m s SER 52 CO 0.08 -0.23 1.79 0.03 1.20 0.00 0.00 173.24 176.10 3m8m h ARG 53 N 8.20 0.42 -0.35 5.44 3.08 -1.12 -2.02 114.38 128.04 3m8m h ARG 53 Ca -0.17 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.70 3m8m h ARG 53 Cb 1.12 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 3m8m h ARG 53 CO 0.17 0.28 -0.40 0.66 -1.07 0.00 0.00 179.97 179.60 3m8m h SER 54 N 0.43 0.96 1.49 7.04 4.64 -1.96 -3.21 113.55 122.94 3m8m h SER 54 Ca 0.16 -0.48 -0.08 0.00 -0.47 0.00 0.00 61.79 60.92 3m8m h SER 54 Cb 0.04 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 3m8m h SER 54 CO -0.09 1.25 -0.36 1.56 -0.87 0.00 0.00 176.83 178.31 3m8m h GLN 55 N 0.70 0.00 0.00 4.77 4.20 -1.95 -3.50 115.11 119.33 3m8m h GLN 55 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3m8m h GLN 55 Cb 1.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.78 3m8m h GLN 55 CO 0.10 0.36 0.00 0.41 -0.67 0.00 0.00 178.83 179.03 3m8m n GLY 56 N 1.01 -0.61 0.28 3.46 0.00 -0.76 -4.60 105.19 103.96 3m8m n GLY 56 Ca 0.02 -1.75 0.13 0.00 0.00 0.00 0.00 46.02 44.42 3m8m n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3m8m h PRO 57 N 0.00 0.00 0.00 1.61 0.13 -1.85 -1.79 132.00 130.10 3m8m h PRO 57 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3m8m h PRO 57 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3m8m h PRO 57 CO 0.00 0.05 0.00 1.57 -0.23 0.00 0.00 178.00 179.39 3m8m h LYS 58 N 0.00 0.00 0.00 0.86 2.10 -1.95 -1.92 116.57 115.66 3m8m h LYS 58 Ca -0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 3m8m h LYS 58 Cb 0.13 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.45 3m8m h LYS 58 CO 0.01 0.00 -0.12 0.00 -2.00 0.00 0.00 179.45 177.34 3m8m h ALA 59 N 2.09 0.96 0.00 0.07 0.00 -1.57 -3.43 119.26 117.38 3m8m h ALA 59 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3m8m h ALA 59 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3m8m h ALA 59 CO 0.00 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.81 3m8m n GLY 60 N 0.62 3.79 1.35 0.00 0.00 -0.72 -1.40 105.19 108.83 3m8m n GLY 60 Ca 0.02 -0.92 0.10 0.00 0.00 0.00 0.00 46.02 45.22 3m8m n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m8m n GLY 61 N -1.34 2.68 7.00 -0.02 0.00 -1.23 -4.51 105.19 107.77 3m8m n GLY 61 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3m8m n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m8m n GLY 62 N 1.26 0.89 3.49 -0.02 0.00 -0.99 -4.19 105.19 105.63 3m8m n GLY 62 Ca 0.24 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 3m8m n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m8m n ALA 63 N 8.79 3.23 -0.65 4.61 0.00 -0.05 -4.13 120.51 132.32 3m8m n ALA 63 Ca 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 53.44 49.84 3m8m n ALA 63 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 15.88 3m8m n ALA 63 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3m8m n ASP 64 N 9.84 0.58 -0.29 0.00 5.75 -1.26 -4.86 116.55 126.30 3m8m n ASP 64 Ca 0.48 -1.22 -0.04 0.00 -0.01 0.00 0.00 54.79 54.00 3m8m n ASP 64 Cb 0.45 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.53 3m8m n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3m8m n GLY 65 N -0.11 0.58 0.31 6.12 0.00 -1.26 -4.19 105.19 106.65 3m8m n GLY 65 Ca 0.00 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 45.92 3m8m n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3m8m h SER 66 N 0.00 0.29 -0.75 1.61 4.64 -1.86 -0.60 113.55 116.89 3m8m h SER 66 Ca -0.08 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 3m8m h SER 66 Cb 0.58 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.57 3m8m h SER 66 CO 0.11 0.20 0.41 0.24 -0.87 0.00 0.00 176.83 176.92 3m8m h MET 67 N 0.33 1.06 0.12 4.77 2.86 -1.90 -0.75 114.93 121.43 3m8m h MET 67 Ca 0.16 -0.12 -0.30 0.00 -2.06 0.00 0.00 59.70 57.38 3m8m h MET 67 Cb 0.21 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 3m8m h MET 67 CO -0.03 0.78 -1.49 -0.07 1.06 0.00 0.00 176.91 177.16 3m8m h LEU 68 N 1.06 0.41 0.00 1.22 3.38 -1.56 -3.29 115.31 116.53 3m8m h LEU 68 Ca 0.27 -0.54 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 3m8m h LEU 68 Cb 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3m8m h LEU 68 CO -0.04 1.44 -0.53 -0.07 0.09 0.00 0.00 178.44 179.33 3m8m h LEU 69 N 0.07 0.00 -5.82 1.67 3.38 -1.05 -3.34 115.31 110.22 3m8m h LEU 69 Ca -0.23 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.18 3m8m h LEU 69 Cb 2.01 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 42.35 3m8m h LEU 69 CO 0.17 0.38 -0.82 0.49 0.09 0.00 0.00 178.44 178.74 3m8m n PHE 70 N -3.13 2.37 0.35 1.13 3.72 -0.30 -4.97 117.46 116.62 3m8m n PHE 70 Ca 0.01 -3.93 0.13 0.00 -0.05 0.00 0.00 57.45 53.61 3m8m n PHE 70 Cb 0.69 -0.47 0.57 0.00 -0.94 0.00 0.00 39.48 39.33 3m8m n PHE 70 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3m8m h PRO 71 N 3.51 0.00 -0.01 -1.08 0.13 -1.69 -2.44 132.00 130.41 3m8m h PRO 71 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3m8m h PRO 71 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3m8m h PRO 71 CO 0.70 0.00 -0.16 0.25 -0.23 0.00 0.00 178.00 178.55 3m8m n THR 72 N -2.45 0.00 0.00 1.56 -2.24 -1.26 -4.24 114.28 105.65 3m8m n THR 72 Ca 0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3m8m n THR 72 Cb 0.22 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 3m8m n THR 72 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3m8m n VAL 73 N -0.02 0.00 -0.31 2.28 0.31 -0.92 -4.56 118.33 115.12 3m8m n VAL 73 Ca 0.14 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.46 3m8m n VAL 73 Cb 0.40 -0.59 0.16 0.00 -0.91 0.00 0.00 33.84 32.90 3m8m n VAL 73 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3m8m h GLU 74 N 0.00 1.19 -0.01 5.55 5.08 -1.86 -1.98 114.58 122.54 3m8m h GLU 74 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3m8m h GLU 74 Cb 0.00 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 28.99 3m8m h GLU 74 CO 0.00 0.81 0.10 -1.35 -1.00 0.00 0.00 179.01 177.56 3m8m h PRO 75 N 1.21 0.00 -0.01 2.33 0.11 -1.83 -0.75 132.00 133.06 3m8m h PRO 75 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 3m8m h PRO 75 Cb -0.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.01 3m8m h PRO 75 CO -0.07 0.00 -0.10 -1.71 -0.21 0.00 0.00 178.00 175.92 3m8m n ASN 76 N -3.14 1.55 -4.77 -2.05 5.15 -0.75 -4.46 115.26 106.80 3m8m n ASN 76 Ca -0.02 -1.38 -0.38 0.00 -0.60 0.00 0.00 54.58 52.20 3m8m n ASN 76 Cb 0.17 0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 3m8m n ASN 76 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3m8m s PHE 77 N -2.17 2.73 0.38 1.20 0.08 -0.29 -4.92 117.98 114.99 3m8m s PHE 77 Ca 0.32 1.49 0.06 0.00 0.12 0.00 0.00 56.93 58.91 3m8m s PHE 77 Cb 0.20 -3.51 0.76 0.00 -0.57 0.00 0.00 43.02 39.91 3m8m s PHE 77 CO 0.40 -1.89 2.01 0.77 -0.10 0.00 0.00 175.22 176.41 3m8m h SER 78 N 1.97 0.60 0.74 1.36 0.02 -1.90 -0.83 113.55 115.51 3m8m h SER 78 Ca -0.50 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 3m8m h SER 78 Cb 1.26 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.66 3m8m h SER 78 CO 0.60 0.42 0.00 0.00 -1.14 0.00 0.00 176.83 176.71 3m8m n ALA 79 N -2.46 1.69 -0.79 3.77 0.00 -1.26 -2.07 120.51 119.39 3m8m n ALA 79 Ca 0.07 0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.65 3m8m n ALA 79 Cb 0.12 -1.38 0.36 0.00 0.00 0.00 0.00 19.45 18.55 3m8m n ALA 79 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3m8m n ASN 80 N -2.16 5.02 -4.70 0.00 3.02 -0.32 -5.00 115.26 111.11 3m8m n ASN 80 Ca 0.02 -2.73 -0.43 0.00 -0.03 0.00 0.00 54.58 51.41 3m8m n ASN 80 Cb 0.23 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 3m8m n ASN 80 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3m8m n ASN 81 N 0.64 3.83 0.00 6.41 5.15 -0.88 -1.40 115.26 129.01 3m8m n ASN 81 Ca 0.26 1.05 0.00 0.00 -0.60 0.00 0.00 54.58 55.29 3m8m n ASN 81 Cb 1.01 -1.54 0.00 0.00 -0.53 0.00 0.00 39.78 38.72 3m8m n ASN 81 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3m8m n GLY 82 N 3.91 1.45 0.25 8.20 0.00 -1.26 -4.92 105.19 112.82 3m8m n GLY 82 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3m8m n GLY 82 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3m8m h ILE 83 N 0.00 0.38 -0.81 -0.61 1.08 -1.53 -3.27 117.51 112.76 3m8m h ILE 83 Ca 0.00 -0.75 0.19 0.00 -0.39 0.00 0.00 64.86 63.91 3m8m h ILE 83 Cb 0.00 1.55 -0.13 0.00 -3.07 0.00 0.00 36.82 35.17 3m8m h ILE 83 CO 0.00 0.12 0.19 -2.24 -0.69 0.00 0.00 178.15 175.53 3m8m h ASP 84 N 0.00 -0.03 -0.70 1.72 -0.00 -1.83 -2.25 116.42 113.33 3m8m h ASP 84 Ca -0.00 0.17 -0.02 0.00 -0.00 0.00 0.00 57.03 57.19 3m8m h ASP 84 Cb 0.54 0.24 -0.03 0.00 -0.00 0.00 0.00 39.33 40.08 3m8m h ASP 84 CO 0.02 -0.10 0.38 0.44 -0.00 0.00 0.00 179.24 179.97 3m8m h ASP 85 N 0.23 0.89 -0.55 4.15 3.32 -1.94 -0.34 116.42 122.17 3m8m h ASP 85 Ca 0.48 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.36 3m8m h ASP 85 Cb 0.89 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 3m8m h ASP 85 CO -0.59 0.74 0.08 0.77 -1.72 0.00 0.00 179.24 178.51 3m8m h SER 86 N 0.97 0.89 -0.06 6.45 4.64 -1.66 0.03 113.55 124.82 3m8m h SER 86 Ca 0.25 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3m8m h SER 86 Cb 0.06 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 61.91 3m8m h SER 86 CO -0.04 0.93 0.04 0.58 -0.87 0.00 0.00 176.83 177.47 3m8m h VAL 87 N 0.82 1.02 -0.10 0.95 2.07 -1.09 -1.33 116.25 118.59 3m8m h VAL 87 Ca 0.17 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 3m8m h VAL 87 Cb 0.43 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3m8m h VAL 87 CO 0.01 0.02 -0.13 0.78 0.02 0.00 0.00 177.57 178.27 3m8m h ASN 88 N 0.07 0.14 0.42 0.57 2.35 -0.87 -1.17 115.58 117.10 3m8m h ASN 88 Ca 0.02 -0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 55.60 3m8m h ASN 88 Cb -0.00 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3m8m h ASN 88 CO -0.00 0.29 -0.62 0.78 -1.65 0.00 0.00 177.43 176.23 3m8m h ASN 89 N 0.15 0.22 0.76 5.81 2.35 -0.67 -3.33 115.58 120.86 3m8m h ASN 89 Ca 0.03 -0.13 -0.22 0.00 -0.55 0.00 0.00 56.30 55.43 3m8m h ASN 89 Cb 0.33 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 3m8m h ASN 89 CO 0.02 0.78 -1.35 -0.07 -1.65 0.00 0.00 177.43 175.16 3m8m h LEU 90 N 0.14 0.00 -0.83 1.61 3.38 -0.76 -3.38 115.31 115.47 3m8m h LEU 90 Ca -0.01 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 3m8m h LEU 90 Cb 1.12 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.77 3m8m h LEU 90 CO 0.09 0.84 0.39 0.40 0.09 0.00 0.00 178.44 180.25 3m8m h ILE 91 N 0.00 0.68 -0.29 1.22 2.04 -1.34 -0.50 117.51 119.32 3m8m h ILE 91 Ca -0.16 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3m8m h ILE 91 Cb 1.78 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3m8m h ILE 91 CO 0.08 0.10 0.14 -0.65 0.00 0.00 0.00 178.15 177.82 3m8m h PRO 92 N 0.55 0.39 -0.27 2.37 0.11 -1.75 -1.42 132.00 131.97 3m8m h PRO 92 Ca 0.46 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.37 3m8m h PRO 92 Cb 0.69 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 3m8m h PRO 92 CO -0.39 0.30 -0.48 0.74 -0.21 0.00 0.00 178.00 177.96 3m8m h PHE 93 N 0.40 0.89 -0.73 0.65 -1.00 -1.34 -2.13 116.94 113.67 3m8m h PHE 93 Ca 0.10 -0.29 0.05 0.00 2.81 0.00 0.00 57.97 60.64 3m8m h PHE 93 Cb 0.04 -0.18 -0.05 0.00 3.61 0.00 0.00 35.95 39.37 3m8m h PHE 93 CO 0.00 1.06 0.44 1.98 -1.61 0.00 0.00 178.31 180.19 3m8m h MET 94 N 0.58 0.80 -0.17 1.51 4.05 -0.53 0.17 114.93 121.34 3m8m h MET 94 Ca 0.03 -0.05 -0.16 0.00 -0.28 0.00 0.00 59.70 59.24 3m8m h MET 94 Cb 1.04 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.66 3m8m h MET 94 CO 0.10 0.53 -0.55 1.96 0.23 0.00 0.00 176.91 179.18 3m8m h GLN 95 N 0.83 0.51 0.00 0.39 4.20 -1.17 -3.34 115.11 116.53 3m8m h GLN 95 Ca 0.31 -0.32 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3m8m h GLN 95 Cb 0.12 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3m8m h GLN 95 CO -0.15 0.93 -0.28 -0.22 -0.67 0.00 0.00 178.83 178.43 3m8m h LYS 96 N 0.39 0.00 -3.21 1.46 3.64 -1.20 -3.38 116.57 114.27 3m8m h LYS 96 Ca 0.01 0.00 -0.75 0.00 -1.27 0.00 0.00 60.65 58.64 3m8m h LYS 96 Cb 1.08 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.76 3m8m h LYS 96 CO 0.10 0.73 2.19 0.72 -2.27 0.00 0.00 179.45 180.92 3m8m n HIS 97 N -4.61 2.81 -0.11 1.91 8.25 0.57 -4.78 115.22 119.25 3m8m n HIS 97 Ca -0.12 -2.80 0.01 0.00 -0.26 0.00 0.00 57.72 54.55 3m8m n HIS 97 Cb 0.41 -1.92 0.21 0.00 1.12 0.00 0.00 29.99 29.81 3m8m n HIS 97 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3m8m n ASN 98 N 3.19 3.68 -0.28 0.41 6.94 -1.25 -2.36 115.26 125.59 3m8m n ASN 98 Ca 0.47 -2.59 0.09 0.00 -0.02 0.00 0.00 54.58 52.54 3m8m n ASN 98 Cb 0.32 -0.62 -0.04 0.00 -2.36 0.00 0.00 39.78 37.08 3m8m n ASN 98 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3m8m n THR 99 N 0.24 0.00 -4.09 5.53 -2.24 -1.26 -4.95 114.28 107.51 3m8m n THR 99 Ca 0.19 -0.21 -0.35 0.00 -2.27 0.00 0.00 64.05 61.40 3m8m n THR 99 Cb 0.85 1.15 -0.13 0.00 -2.10 0.00 0.00 70.33 70.10 3m8m n THR 99 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3m8m s ILE 100 N -2.39 3.70 0.76 2.28 1.01 -1.00 -5.10 121.20 120.46 3m8m s ILE 100 Ca 0.13 -0.40 -0.14 0.00 0.00 0.00 0.00 60.65 60.24 3m8m s ILE 100 Cb 0.15 -2.66 0.05 0.00 0.01 0.00 0.00 42.46 40.01 3m8m s ILE 100 CO 0.58 0.44 1.20 -0.94 0.00 0.00 0.00 174.94 176.22 3m8m s SER 101 N 1.08 4.02 0.26 3.58 1.04 -1.26 -4.76 113.70 117.66 3m8m s SER 101 Ca 0.02 2.34 -0.01 0.00 0.48 0.00 0.00 55.95 58.77 3m8m s SER 101 Cb -0.15 -2.59 0.49 0.00 0.10 0.00 0.00 66.02 63.88 3m8m s SER 101 CO 0.01 -2.38 1.81 0.00 0.98 0.00 0.00 173.24 173.65 3m8m h ALA 102 N -0.51 1.33 -0.34 5.32 0.00 -1.90 0.55 119.26 123.71 3m8m h ALA 102 Ca -0.47 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3m8m h ALA 102 Cb 1.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3m8m h ALA 102 CO 0.49 0.09 0.17 0.00 0.00 0.00 0.00 179.25 180.00 3m8m h ALA 103 N 1.51 0.44 -0.61 0.00 0.00 -1.80 -1.27 119.26 117.53 3m8m h ALA 103 Ca 0.45 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 3m8m h ALA 103 Cb 0.49 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3m8m h ALA 103 CO -0.28 -0.01 0.05 -0.44 0.00 0.00 0.00 179.25 178.56 3m8m h ASP 104 N 0.41 1.00 -0.34 0.00 5.19 -1.72 -2.67 116.42 118.29 3m8m h ASP 104 Ca 0.12 -0.25 0.05 0.00 -0.62 0.00 0.00 57.03 56.33 3m8m h ASP 104 Cb 0.10 -0.27 -0.05 0.00 0.18 0.00 0.00 39.33 39.29 3m8m h ASP 104 CO -0.02 1.02 0.04 0.25 -3.12 0.00 0.00 179.24 177.42 3m8m h LEU 105 N 0.96 -0.05 0.17 1.55 5.85 -0.59 0.09 115.31 123.29 3m8m h LEU 105 Ca 0.18 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3m8m h LEU 105 Cb 0.48 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3m8m h LEU 105 CO 0.02 0.01 -0.14 0.58 -0.34 0.00 0.00 178.44 178.57 3m8m h VAL 106 N 0.15 0.69 -0.61 1.05 2.07 -1.09 0.83 116.25 119.33 3m8m h VAL 106 Ca 0.16 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 3m8m h VAL 106 Cb 0.20 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3m8m h VAL 106 CO -0.24 0.00 0.17 1.56 0.02 0.00 0.00 177.57 179.08 3m8m h GLN 107 N -0.32 0.97 -0.38 1.57 1.08 -1.29 -2.11 115.11 114.62 3m8m h GLN 107 Ca -0.00 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 56.94 3m8m h GLN 107 Cb 0.30 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 3m8m h GLN 107 CO -0.02 0.87 0.12 0.35 -0.95 0.00 0.00 178.83 179.20 3m8m h PHE 108 N 0.88 0.62 -1.01 2.96 3.04 -0.89 -2.20 116.94 120.34 3m8m h PHE 108 Ca 0.19 -0.06 0.04 0.00 3.98 0.00 0.00 57.97 62.12 3m8m h PHE 108 Cb 0.32 -0.18 -0.06 0.00 2.56 0.00 0.00 35.95 38.60 3m8m h PHE 108 CO 0.02 0.59 0.66 0.00 -2.02 0.00 0.00 178.31 177.56 3m8m h ALA 109 N 0.96 1.35 -0.74 2.41 0.00 -0.70 -0.05 119.26 122.49 3m8m h ALA 109 Ca 0.12 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3m8m h ALA 109 Cb 0.26 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3m8m h ALA 109 CO -0.00 0.54 0.23 0.78 0.00 0.00 0.00 179.25 180.79 3m8m h GLY 110 N 1.26 1.23 1.00 0.00 0.00 -1.15 0.11 103.07 105.51 3m8m h GLY 110 Ca 0.41 -0.72 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 3m8m h GLY 110 CO -0.13 0.68 0.35 0.00 0.00 0.00 0.00 176.54 177.44 3m8m h ALA 111 N 1.15 0.74 -0.23 3.60 0.00 -0.71 -0.43 119.26 123.38 3m8m h ALA 111 Ca 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3m8m h ALA 111 Cb 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3m8m h ALA 111 CO -0.01 0.22 0.10 0.28 0.00 0.00 0.00 179.25 179.84 3m8m h VAL 112 N 0.79 1.16 -0.31 0.00 2.07 -0.85 -2.06 116.25 117.05 3m8m h VAL 112 Ca 0.21 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.28 3m8m h VAL 112 Cb -0.02 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3m8m h VAL 112 CO -0.04 0.16 0.12 0.00 0.02 0.00 0.00 177.57 177.83 3m8m h ALA 113 N 0.94 0.36 -0.63 1.67 0.00 -0.79 -2.23 119.26 118.59 3m8m h ALA 113 Ca 0.08 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3m8m h ALA 113 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3m8m h ALA 113 CO -0.01 -0.28 0.42 -0.07 0.00 0.00 0.00 179.25 179.31 3m8m h LEU 114 N 0.26 0.71 -2.78 0.00 3.38 -1.00 -1.64 115.31 114.24 3m8m h LEU 114 Ca 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3m8m h LEU 114 Cb 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3m8m h LEU 114 CO -0.13 0.51 0.00 0.77 0.09 0.00 0.00 178.44 179.68 3m8m h SER 115 N 0.83 0.00 0.37 -0.43 4.64 -0.73 -0.62 113.55 117.61 3m8m h SER 115 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3m8m h SER 115 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3m8m h SER 115 CO -0.05 0.00 -0.06 0.59 -0.87 0.00 0.00 176.83 176.44 3m8m n ASN 116 N -3.03 0.30 -4.45 4.97 3.02 -0.62 -1.30 115.26 114.15 3m8m n ASN 116 Ca -0.03 -0.52 -0.43 0.00 -0.03 0.00 0.00 54.58 53.57 3m8m n ASN 116 Cb 0.09 -0.13 -0.10 0.00 -0.61 0.00 0.00 39.78 39.04 3m8m n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m8m n PRO 118 N 5.16 1.27 0.00 0.00 -0.02 -1.26 -1.17 135.00 138.98 3m8m n PRO 118 Ca -0.11 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3m8m n PRO 118 Cb 0.47 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3m8m n PRO 118 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m8m n GLY 119 N 2.83 2.12 3.77 -1.23 0.00 -0.49 -0.66 105.19 111.54 3m8m n GLY 119 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3m8m n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m8m s ALA 120 N -2.46 2.55 0.81 4.61 0.00 -0.32 -4.83 121.76 122.12 3m8m s ALA 120 Ca 0.00 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.48 3m8m s ALA 120 Cb 0.00 -3.33 0.08 0.00 0.00 0.00 0.00 23.12 19.87 3m8m s ALA 120 CO 0.00 -1.09 1.09 -1.25 0.00 0.00 0.00 175.76 174.51 3m8m s PRO 121 N -3.82 2.00 -0.67 0.00 0.04 -1.26 -4.78 135.00 126.51 3m8m s PRO 121 Ca 0.69 0.73 -0.21 0.00 0.04 0.00 0.00 61.00 62.25 3m8m s PRO 121 Cb -0.22 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.51 3m8m s PRO 121 CO 0.36 -1.70 0.91 0.50 0.04 0.00 0.00 177.00 177.12 3m8m s ARG 122 N -5.09 3.14 0.58 4.56 3.52 -1.26 -4.67 118.95 119.72 3m8m s ARG 122 Ca 0.61 -1.05 -0.21 0.00 -0.13 0.00 0.00 55.73 54.96 3m8m s ARG 122 Cb -0.15 -4.30 -0.04 0.00 -1.56 0.00 0.00 34.95 28.90 3m8m s ARG 122 CO 0.55 -1.74 1.33 1.28 -0.81 0.00 0.00 175.30 175.91 3m8m n LEU 123 N 7.25 5.67 -4.76 -0.88 4.77 -1.26 -4.95 117.00 122.83 3m8m n LEU 123 Ca -0.03 0.93 -0.41 0.00 -0.03 0.00 0.00 56.01 56.47 3m8m n LEU 123 Cb 0.45 -1.57 -0.00 0.00 -2.33 0.00 0.00 43.42 39.97 3m8m n LEU 123 CO 0.61 -0.72 1.10 1.21 -1.33 0.00 0.00 177.39 178.26 3m8m n GLU 124 N -1.28 2.57 -3.73 3.23 2.13 -1.26 -4.90 120.64 117.40 3m8m n GLU 124 Ca 0.12 0.90 -0.28 0.00 0.66 0.00 0.00 57.16 58.56 3m8m n GLU 124 Cb 0.46 -2.62 -0.16 0.00 0.27 0.00 0.00 31.44 29.39 3m8m n GLU 124 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 3m8m s PHE 125 N -1.12 1.12 0.05 4.31 5.36 -1.26 -4.89 117.98 121.55 3m8m s PHE 125 Ca 0.54 -1.01 -0.04 0.00 -0.96 0.00 0.00 56.93 55.45 3m8m s PHE 125 Cb -0.49 -1.13 -0.05 0.00 -0.34 0.00 0.00 43.02 41.01 3m8m s PHE 125 CO 0.63 -0.67 0.27 -0.51 -1.46 0.00 0.00 175.22 173.49 3m8m s LEU 126 N 1.83 4.34 0.27 6.12 1.43 -1.26 -0.52 118.68 130.89 3m8m s LEU 126 Ca 0.01 0.48 0.08 0.00 -1.03 0.00 0.00 54.13 53.68 3m8m s LEU 126 Cb -0.17 -2.87 -0.05 0.00 0.03 0.00 0.00 46.19 43.12 3m8m s LEU 126 CO -0.12 0.19 -0.11 0.00 0.23 0.00 0.00 176.35 176.54 3m8m s ALA 127 N -1.43 2.44 0.00 4.21 0.00 0.22 -4.88 121.76 122.32 3m8m s ALA 127 Ca 0.32 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.41 3m8m s ALA 127 Cb -0.13 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.00 3m8m s ALA 127 CO 0.21 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.43 3m8m n GLY 128 N -0.58 1.36 3.76 0.00 0.00 -1.26 -1.13 105.19 107.35 3m8m n GLY 128 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3m8m n GLY 128 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m8m s ARG 129 N -0.28 4.40 0.95 1.61 0.52 -1.26 -4.96 118.95 119.93 3m8m s ARG 129 Ca 0.00 2.12 -0.10 0.00 -0.52 0.00 0.00 55.73 57.23 3m8m s ARG 129 Cb 0.00 -3.13 0.17 0.00 0.52 0.00 0.00 34.95 32.51 3m8m s ARG 129 CO 0.00 -0.17 1.13 -2.14 0.02 0.00 0.00 175.30 174.14 3m8m s PRO 130 N -1.12 0.70 -0.19 3.54 0.02 -1.26 -4.65 135.00 132.04 3m8m s PRO 130 Ca 0.52 1.46 0.15 0.00 0.02 0.00 0.00 61.00 63.15 3m8m s PRO 130 Cb -0.38 -1.70 0.77 0.00 0.02 0.00 0.00 34.50 33.21 3m8m s PRO 130 CO 0.46 -2.82 1.68 -1.71 -0.33 0.00 0.00 177.00 174.28 3m8m n ASN 131 N -4.36 5.31 -4.03 2.53 5.15 -1.26 -4.53 115.26 114.07 3m8m n ASN 131 Ca 0.11 -2.76 -0.20 0.00 -0.60 0.00 0.00 54.58 51.13 3m8m n ASN 131 Cb 0.52 -0.65 -0.15 0.00 -0.53 0.00 0.00 39.78 38.97 3m8m n ASN 131 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3m8m s LYS 132 N -2.44 0.96 0.00 1.20 2.20 -1.26 -4.88 119.74 115.52 3m8m s LYS 132 Ca 0.52 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 3m8m s LYS 132 Cb 0.38 -0.91 0.00 0.00 -1.51 0.00 0.00 37.83 35.79 3m8m s LYS 132 CO 0.18 0.17 0.00 -2.37 -0.36 0.00 0.00 175.35 172.97 3m8m n THR 133 N 3.08 0.00 -4.40 3.43 5.66 -1.26 -5.09 114.28 115.70 3m8m n THR 133 Ca -0.16 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.63 3m8m n THR 133 Cb 0.55 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.23 3m8m n THR 133 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3m8m s ILE 134 N -2.94 2.00 0.23 1.09 -4.36 -1.26 -5.11 121.20 110.86 3m8m s ILE 134 Ca 0.00 -2.28 -0.30 0.00 -0.26 0.00 0.00 60.65 57.82 3m8m s ILE 134 Cb 0.00 -2.16 -0.09 0.00 1.25 0.00 0.00 42.46 41.46 3m8m s ILE 134 CO 0.00 -0.51 1.16 0.00 0.24 0.00 0.00 174.94 175.83 3m8m s ALA 135 N -2.81 3.43 0.82 2.27 0.00 -1.26 -4.68 121.76 119.53 3m8m s ALA 135 Ca 0.26 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 3m8m s ALA 135 Cb -0.02 -3.38 0.08 0.00 0.00 0.00 0.00 23.12 19.80 3m8m s ALA 135 CO 0.10 -0.30 1.10 0.00 0.00 0.00 0.00 175.76 176.66 3m8m s ALA 136 N -0.60 2.08 0.51 0.00 0.00 -1.26 -4.70 121.76 117.80 3m8m s ALA 136 Ca 0.49 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.23 3m8m s ALA 136 Cb -0.33 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 3m8m s ALA 136 CO 0.40 -1.88 0.80 0.14 0.00 0.00 0.00 175.76 175.21 3m8m s VAL 137 N -3.10 4.37 0.79 0.00 -7.23 -0.50 -4.76 120.40 109.97 3m8m s VAL 137 Ca 0.61 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.68 3m8m s VAL 137 Cb -0.15 -3.67 0.06 0.00 0.56 0.00 0.00 36.38 33.18 3m8m s VAL 137 CO 0.55 -0.63 1.08 -0.62 -0.31 0.00 0.00 175.10 175.17 3m8m s ASP 138 N -4.19 4.52 0.00 4.85 3.68 -1.26 -4.24 116.67 120.03 3m8m s ASP 138 Ca 0.49 1.53 0.00 0.00 2.13 0.00 0.00 52.55 56.70 3m8m s ASP 138 Cb -0.10 -2.28 0.00 0.00 -1.45 0.00 0.00 42.92 39.08 3m8m s ASP 138 CO 0.44 -1.98 0.00 0.61 0.13 0.00 0.00 175.17 174.37 3m8m n GLY 139 N -1.69 0.72 0.01 2.66 0.00 -1.26 -4.93 105.19 100.70 3m8m n GLY 139 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 3m8m n GLY 139 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m8m n LEU 140 N 0.00 0.67 -4.64 0.99 4.77 -1.26 -4.87 117.00 112.67 3m8m n LEU 140 Ca 0.00 -0.14 -0.38 0.00 -0.03 0.00 0.00 56.01 55.46 3m8m n LEU 140 Cb 0.00 -0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 40.85 3m8m n LEU 140 CO 0.00 0.14 -0.06 -0.63 -1.33 0.00 0.00 177.39 175.51 3m8m s ILE 141 N -3.05 5.27 0.56 -0.08 -1.09 -1.26 -4.62 121.20 116.93 3m8m s ILE 141 Ca 0.08 0.39 -0.21 0.00 -2.23 0.00 0.00 60.65 58.68 3m8m s ILE 141 Cb 0.16 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.39 3m8m s ILE 141 CO 0.77 0.26 1.29 -2.65 -1.23 0.00 0.00 174.94 173.38 3m8m n PRO 142 N 4.70 1.52 -4.32 2.79 -0.02 -1.26 -4.98 135.00 133.43 3m8m n PRO 142 Ca -0.12 0.56 -0.23 0.00 -2.02 0.00 0.00 63.50 61.69 3m8m n PRO 142 Cb 0.51 -2.50 -0.12 0.00 -0.02 0.00 0.00 33.50 31.38 3m8m n PRO 142 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3m8m s GLU 143 N -2.88 1.23 0.56 -0.52 2.02 -1.26 -5.05 118.70 112.80 3m8m s GLU 143 Ca 0.73 -1.31 0.34 0.00 0.02 0.00 0.00 54.97 54.75 3m8m s GLU 143 Cb -0.42 -1.42 1.59 0.00 0.10 0.00 0.00 34.13 33.98 3m8m s GLU 143 CO 0.48 0.31 2.08 -1.00 0.02 0.00 0.00 175.26 177.15 3m8m h PRO 144 N 3.62 0.00 -0.00 0.39 0.13 -1.94 -1.08 132.00 133.12 3m8m h PRO 144 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3m8m h PRO 144 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3m8m h PRO 144 CO 0.45 0.05 -0.00 0.00 -0.23 0.00 0.00 178.00 178.27 3m8m n GLN 145 N -3.25 0.30 -2.34 0.86 0.00 -1.26 -1.51 117.38 110.17 3m8m n GLN 145 Ca -0.01 -0.00 -0.35 0.00 0.00 0.00 0.00 57.00 56.64 3m8m n GLN 145 Cb 0.25 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 28.98 3m8m n GLN 145 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3m8m s ASP 146 N -2.70 5.91 0.73 2.61 -0.00 -0.41 -4.96 116.67 117.85 3m8m s ASP 146 Ca 0.24 2.09 -0.11 0.00 -0.00 0.00 0.00 52.55 54.77 3m8m s ASP 146 Cb 0.20 -2.57 0.03 0.00 -0.00 0.00 0.00 42.92 40.58 3m8m s ASP 146 CO 0.48 -1.08 1.07 -0.94 -0.00 0.00 0.00 175.17 174.70 3m8m s SER 147 N -1.86 4.98 0.22 0.27 1.04 -1.26 -4.66 113.70 112.43 3m8m s SER 147 Ca 0.71 1.67 -0.08 0.00 0.48 0.00 0.00 55.95 58.74 3m8m s SER 147 Cb -0.21 -2.48 0.19 0.00 0.10 0.00 0.00 66.02 63.62 3m8m s SER 147 CO 0.25 -1.71 1.84 0.58 0.98 0.00 0.00 173.24 175.18 3m8m h VAL 148 N -0.90 1.25 -0.49 5.02 2.07 -1.93 -0.25 116.25 121.02 3m8m h VAL 148 Ca -0.44 -0.64 0.06 0.00 0.82 0.00 0.00 66.70 66.50 3m8m h VAL 148 Cb 1.22 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 3m8m h VAL 148 CO 0.55 0.29 0.20 0.74 0.02 0.00 0.00 177.57 179.36 3m8m h THR 149 N 1.20 0.88 -0.36 2.57 2.02 -1.99 0.74 112.91 117.96 3m8m h THR 149 Ca 0.30 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 67.30 3m8m h THR 149 Cb 0.04 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3m8m h THR 149 CO -0.05 0.07 0.03 0.50 0.37 0.00 0.00 175.52 176.45 3m8m h LYS 150 N 0.39 0.62 0.22 6.66 3.64 -1.81 -1.09 116.57 125.20 3m8m h LYS 150 Ca 0.23 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3m8m h LYS 150 Cb 0.21 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3m8m h LYS 150 CO -0.21 0.71 -0.10 0.82 -2.27 0.00 0.00 179.45 178.40 3m8m h ILE 151 N 0.45 0.79 -0.83 2.00 2.04 -0.76 -0.90 117.51 120.30 3m8m h ILE 151 Ca 0.11 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 3m8m h ILE 151 Cb 0.41 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3m8m h ILE 151 CO 0.01 0.00 0.51 -0.07 0.00 0.00 0.00 178.15 178.60 3m8m h LEU 152 N -0.29 0.98 -0.85 1.44 3.38 -0.80 -1.59 115.31 117.59 3m8m h LEU 152 Ca -0.03 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3m8m h LEU 152 Cb 0.22 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3m8m h LEU 152 CO 0.05 0.75 0.07 -0.61 0.09 0.00 0.00 178.44 178.79 3m8m h GLN 153 N 1.13 0.93 -0.30 1.13 -0.00 -1.04 -0.28 115.11 116.67 3m8m h GLN 153 Ca 0.30 -0.24 -0.00 0.00 -0.00 0.00 0.00 58.65 58.71 3m8m h GLN 153 Cb -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 27.29 3m8m h GLN 153 CO -0.06 0.88 0.17 -0.09 0.00 0.00 0.00 178.83 179.73 3m8m h ARG 154 N 0.87 0.42 -0.32 1.69 9.65 -0.57 0.55 114.38 126.67 3m8m h ARG 154 Ca 0.17 -0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 58.90 3m8m h ARG 154 Cb 0.42 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 3m8m h ARG 154 CO 0.01 0.35 -0.24 0.74 2.80 0.00 0.00 179.97 183.63 3m8m h PHE 155 N 0.37 0.71 -0.40 2.20 0.04 -1.13 0.50 116.94 119.24 3m8m h PHE 155 Ca 0.11 -0.16 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 3m8m h PHE 155 Cb 0.05 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 3m8m h PHE 155 CO -0.03 0.81 0.18 1.49 -0.60 0.00 0.00 178.31 180.16 3m8m h GLU 156 N 0.55 0.58 -0.12 1.51 4.81 -0.77 -2.38 114.58 118.75 3m8m h GLU 156 Ca 0.08 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 3m8m h GLU 156 Cb 0.71 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 3m8m h GLU 156 CO 0.05 0.52 -0.37 0.22 -0.73 0.00 0.00 179.01 178.70 3m8m h ASP 157 N 0.50 0.27 -0.28 1.04 -0.00 -0.71 0.68 116.42 117.92 3m8m h ASP 157 Ca 0.14 -0.11 -0.14 0.00 -0.00 0.00 0.00 57.03 56.92 3m8m h ASP 157 Cb 0.14 -0.07 -0.00 0.00 -0.00 0.00 0.00 39.33 39.39 3m8m h ASP 157 CO -0.02 0.63 -0.37 0.00 -0.00 0.00 0.00 179.24 179.48 3m8m h ALA 158 N 1.39 0.43 0.00 -0.78 0.00 -0.72 0.62 119.26 120.19 3m8m h ALA 158 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3m8m h ALA 158 Cb 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3m8m h ALA 158 CO 0.06 0.51 -0.01 0.41 0.00 0.00 0.00 179.25 180.22 3m8m n GLY 159 N 0.25 0.98 2.29 0.00 0.00 -0.91 -4.60 105.19 103.19 3m8m n GLY 159 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 3m8m n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m8m n GLY 160 N 0.00 0.88 3.76 -0.02 0.00 0.23 -4.96 105.19 105.08 3m8m n GLY 160 Ca 0.00 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 3m8m n GLY 160 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m8m s PHE 161 N -2.44 3.03 0.63 1.61 0.40 -1.12 -4.90 117.98 115.19 3m8m s PHE 161 Ca 0.00 1.28 -0.10 0.00 -0.60 0.00 0.00 56.93 57.51 3m8m s PHE 161 Cb 0.00 -3.73 -0.02 0.00 0.51 0.00 0.00 43.02 39.78 3m8m s PHE 161 CO 0.00 -2.14 1.02 0.95 0.70 0.00 0.00 175.22 175.75 3m8m s THR 162 N -0.73 4.19 0.34 0.64 -4.23 -1.26 -4.01 115.64 110.57 3m8m s THR 162 Ca 0.52 0.58 0.05 0.00 -1.18 0.00 0.00 61.69 61.66 3m8m s THR 162 Cb -0.40 -3.69 0.30 0.00 1.34 0.00 0.00 72.50 70.05 3m8m s THR 162 CO 0.50 -0.86 1.90 -0.65 -0.54 0.00 0.00 174.62 174.97 3m8m h PRO 163 N -0.37 0.80 -0.50 3.99 0.11 -1.94 -0.44 132.00 133.65 3m8m h PRO 163 Ca -0.45 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.64 3m8m h PRO 163 Cb 1.22 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3m8m h PRO 163 CO 0.62 0.53 0.29 0.35 -0.21 0.00 0.00 178.00 179.59 3m8m h PHE 164 N 0.82 0.55 -0.47 0.65 3.57 -1.93 -1.31 116.94 118.82 3m8m h PHE 164 Ca 0.40 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.85 3m8m h PHE 164 Cb 0.43 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3m8m h PHE 164 CO -0.00 0.31 0.01 0.93 -2.23 0.00 0.00 178.31 177.33 3m8m h GLU 165 N 0.59 0.76 0.17 1.11 5.08 -1.55 -0.79 114.58 119.96 3m8m h GLU 165 Ca 0.20 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3m8m h GLU 165 Cb 0.03 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3m8m h GLU 165 CO -0.10 0.77 -0.08 0.28 -1.00 0.00 0.00 179.01 178.88 3m8m h VAL 166 N 0.72 0.86 -0.32 3.13 2.07 -0.73 -0.97 116.25 121.01 3m8m h VAL 166 Ca 0.14 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.47 3m8m h VAL 166 Cb 0.43 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3m8m h VAL 166 CO 0.02 0.03 -0.10 0.58 0.02 0.00 0.00 177.57 178.12 3m8m h VAL 167 N -0.29 1.23 -0.60 2.57 2.07 -1.15 -2.17 116.25 117.90 3m8m h VAL 167 Ca -0.02 -0.99 0.06 0.00 0.82 0.00 0.00 66.70 66.57 3m8m h VAL 167 Cb 0.22 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 3m8m h VAL 167 CO 0.04 0.33 0.31 0.28 0.02 0.00 0.00 177.57 178.55 3m8m h SER 168 N 0.49 0.44 0.21 0.57 0.02 -0.93 -1.66 113.55 112.70 3m8m h SER 168 Ca 0.09 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3m8m h SER 168 Cb 0.47 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 3m8m h SER 168 CO 0.03 0.29 -0.21 -0.07 -1.14 0.00 0.00 176.83 175.73 3m8m h LEU 169 N 0.58 0.00 0.00 5.07 3.38 -0.56 -1.98 115.31 121.80 3m8m h LEU 169 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3m8m h LEU 169 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3m8m h LEU 169 CO -0.19 0.21 0.00 0.18 0.09 0.00 0.00 178.44 178.73 3m8m n LEU 170 N -4.29 0.00 0.20 1.67 4.77 -0.63 -1.96 117.00 116.77 3m8m n LEU 170 Ca -0.02 0.13 0.17 0.00 -0.03 0.00 0.00 56.01 56.26 3m8m n LEU 170 Cb 0.27 -0.13 0.83 0.00 -2.33 0.00 0.00 43.42 42.05 3m8m n LEU 170 CO 0.37 -0.06 1.15 0.00 -1.33 0.00 0.00 177.39 177.52 3m8m h ALA 171 N 2.99 1.80 -0.07 -1.18 0.00 -1.34 0.33 119.26 121.80 3m8m h ALA 171 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3m8m h ALA 171 Cb 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3m8m h ALA 171 CO 0.00 -0.32 0.12 0.66 0.00 0.00 0.00 179.25 179.71 3m8m h SER 172 N 0.00 0.00 0.26 0.00 4.64 -1.63 -0.14 113.55 116.69 3m8m h SER 172 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3m8m h SER 172 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3m8m h SER 172 CO -0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 3m8m n HIS 173 N -3.51 0.00 0.36 4.77 -0.00 0.10 -1.49 115.22 115.46 3m8m n HIS 173 Ca -0.01 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.85 3m8m n HIS 173 Cb 0.21 -0.21 0.56 0.00 -0.00 0.00 0.00 29.99 30.55 3m8m n HIS 173 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3m8m h SER 174 N 0.00 0.00 -1.98 0.41 0.87 -1.18 -3.33 113.55 108.35 3m8m h SER 174 Ca 0.00 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.06 3m8m h SER 174 Cb 0.13 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 61.68 3m8m h SER 174 CO 0.00 0.00 -1.03 1.33 -0.53 0.00 0.00 176.83 176.60 3m8m n VAL 175 N -2.54 0.91 -3.73 2.23 0.24 -0.56 -4.16 118.33 110.72 3m8m n VAL 175 Ca 0.02 -4.75 -0.13 0.00 -2.04 0.00 0.00 64.34 57.44 3m8m n VAL 175 Cb 0.26 -0.53 -0.10 0.00 -1.47 0.00 0.00 33.84 32.01 3m8m n VAL 175 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3m8m s ALA 176 N -2.81 -1.05 0.16 2.33 0.00 -1.25 -4.78 121.76 114.36 3m8m s ALA 176 Ca 0.42 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.50 3m8m s ALA 176 Cb 0.34 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 3m8m s ALA 176 CO -0.09 -0.21 0.04 1.03 0.00 0.00 0.00 175.76 176.52 3m8m s ARG 177 N 0.03 1.06 -0.08 0.00 0.52 -1.26 -1.12 118.95 118.09 3m8m s ARG 177 Ca -0.02 -1.51 0.04 0.00 -0.52 0.00 0.00 55.73 53.72 3m8m s ARG 177 Cb -0.03 -0.03 0.00 0.00 0.52 0.00 0.00 34.95 35.41 3m8m s ARG 177 CO 0.01 -0.21 -0.21 0.00 0.02 0.00 0.00 175.30 174.92 3m8m s ALA 178 N -3.85 1.90 -0.06 2.13 0.00 0.21 -4.83 121.76 117.25 3m8m s ALA 178 Ca 0.26 -0.82 0.13 0.00 0.00 0.00 0.00 51.96 51.53 3m8m s ALA 178 Cb 0.07 -0.72 -0.19 0.00 0.00 0.00 0.00 23.12 22.28 3m8m s ALA 178 CO 0.04 0.25 0.20 -0.25 0.00 0.00 0.00 175.76 176.00 3m8m n ASP 179 N 3.53 1.79 -0.02 0.00 8.00 -1.26 -1.49 116.55 127.09 3m8m n ASP 179 Ca -0.20 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.33 3m8m n ASP 179 Cb 0.53 1.30 -0.10 0.00 -0.02 0.00 0.00 41.12 42.83 3m8m n ASP 179 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3m8m n LYS 180 N -2.19 0.82 -0.12 -1.24 4.76 -1.26 -4.53 118.16 114.40 3m8m n LYS 180 Ca -0.10 -0.09 -0.08 0.00 -2.87 0.00 0.00 58.31 55.17 3m8m n LYS 180 Cb 0.60 -1.30 -0.00 0.00 -1.84 0.00 0.00 35.03 32.48 3m8m n LYS 180 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3m8m h VAL 181 N 0.00 1.11 -3.41 -0.18 2.07 -1.93 -3.38 116.25 110.53 3m8m h VAL 181 Ca -0.08 -0.20 -0.67 0.00 0.82 0.00 0.00 66.70 66.57 3m8m h VAL 181 Cb 0.88 0.54 -0.34 0.00 -1.52 0.00 0.00 31.29 30.85 3m8m h VAL 181 CO 0.00 0.10 -0.81 -0.62 0.02 0.00 0.00 177.57 176.27 3m8m s ASP 182 N -5.56 3.84 0.58 0.57 -1.08 -1.26 -4.73 116.67 109.03 3m8m s ASP 182 Ca -0.13 -0.89 0.31 0.00 -0.52 0.00 0.00 52.55 51.32 3m8m s ASP 182 Cb 0.11 -1.56 1.80 0.00 -1.46 0.00 0.00 42.92 41.80 3m8m s ASP 182 CO 0.72 -0.08 2.22 0.06 0.52 0.00 0.00 175.17 178.61 3m8m h GLN 183 N 7.92 0.00 0.00 4.34 3.07 -1.82 -3.13 115.11 125.50 3m8m h GLN 183 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.39 3m8m h GLN 183 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.67 3m8m h GLN 183 CO 0.57 0.03 -0.81 0.25 0.09 0.00 0.00 178.83 178.97 3m8m n THR 184 N -3.69 0.30 -4.22 1.86 -2.24 -1.26 -4.91 114.28 100.12 3m8m n THR 184 Ca -0.03 -0.28 -0.17 0.00 -2.27 0.00 0.00 64.05 61.30 3m8m n THR 184 Cb 0.12 -0.01 -0.11 0.00 -2.10 0.00 0.00 70.33 68.23 3m8m n THR 184 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3m8m s ILE 185 N -3.19 1.21 0.08 2.28 -4.36 -1.18 -5.06 121.20 110.98 3m8m s ILE 185 Ca 0.05 -1.68 0.09 0.00 -0.26 0.00 0.00 60.65 58.84 3m8m s ILE 185 Cb 0.14 -1.47 -0.04 0.00 1.25 0.00 0.00 42.46 42.34 3m8m s ILE 185 CO 0.76 -0.45 -0.21 -1.81 0.24 0.00 0.00 174.94 173.47 3m8m s ASP 186 N -2.43 3.66 -1.22 4.36 1.01 -1.26 -4.75 116.67 116.04 3m8m s ASP 186 Ca 0.08 -0.55 -0.00 0.00 0.71 0.00 0.00 52.55 52.78 3m8m s ASP 186 Cb -0.04 -0.47 0.00 0.00 1.01 0.00 0.00 42.92 43.41 3m8m s ASP 186 CO 0.02 0.22 0.98 0.00 0.21 0.00 0.00 175.17 176.59 3m8m n ALA 187 N 1.22 -1.98 -2.60 5.23 0.00 -0.95 -4.68 120.51 116.75 3m8m n ALA 187 Ca -0.16 -0.05 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 3m8m n ALA 187 Cb 0.52 -2.52 -0.03 0.00 0.00 0.00 0.00 19.45 17.42 3m8m n ALA 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m8m s ALA 188 N -3.39 3.31 0.52 0.00 0.00 -0.56 -4.60 121.76 117.04 3m8m s ALA 188 Ca 0.03 -0.51 -0.17 0.00 0.00 0.00 0.00 51.96 51.30 3m8m s ALA 188 Cb -0.01 -3.67 -0.07 0.00 0.00 0.00 0.00 23.12 19.37 3m8m s ALA 188 CO 0.74 -1.88 1.01 -1.25 0.00 0.00 0.00 175.76 174.38 3m8m s PRO 189 N 3.81 3.77 0.12 0.00 0.04 -1.25 -0.62 135.00 140.88 3m8m s PRO 189 Ca 0.41 1.11 0.24 0.00 0.04 0.00 0.00 61.00 62.80 3m8m s PRO 189 Cb -0.10 -2.10 0.34 0.00 0.04 0.00 0.00 34.50 32.67 3m8m s PRO 189 CO 0.24 -0.43 1.32 0.74 0.04 0.00 0.00 177.00 178.90 3m8m h PHE 190 N 0.99 0.00 -4.59 0.56 0.04 -1.31 -0.05 116.94 112.59 3m8m h PHE 190 Ca -0.47 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 59.96 3m8m h PHE 190 Cb 1.20 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.21 3m8m h PHE 190 CO 0.61 0.00 -0.57 0.16 -0.60 0.00 0.00 178.31 177.91 3m8m s ASP 191 N -4.27 0.81 0.00 2.17 1.47 -1.26 -4.79 116.67 110.80 3m8m s ASP 191 Ca 0.06 -1.52 0.27 0.00 1.18 0.00 0.00 52.55 52.53 3m8m s ASP 191 Cb 0.13 0.43 1.56 0.00 -0.34 0.00 0.00 42.92 44.70 3m8m s ASP 191 CO 0.72 -0.91 1.94 -1.54 0.68 0.00 0.00 175.17 176.06 3m8m n SER 192 N -0.74 0.00 -3.19 2.11 3.41 -1.26 -3.86 113.62 110.09 3m8m n SER 192 Ca 0.04 -0.74 -0.22 0.00 -0.26 0.00 0.00 58.87 57.69 3m8m n SER 192 Cb 0.65 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.51 3m8m n SER 192 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3m8m n THR 193 N -1.04 0.16 1.04 6.66 -2.24 -1.26 -4.84 114.28 112.76 3m8m n THR 193 Ca 0.19 -4.51 0.10 0.00 -2.27 0.00 0.00 64.05 57.56 3m8m n THR 193 Cb 0.11 -1.21 0.53 0.00 -2.10 0.00 0.00 70.33 67.66 3m8m n THR 193 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3m8m n PRO 194 N 0.73 0.40 -0.18 -0.78 -0.04 -1.25 -1.49 135.00 132.38 3m8m n PRO 194 Ca 0.24 0.07 0.10 0.00 -0.04 0.00 0.00 63.50 63.87 3m8m n PRO 194 Cb 0.56 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.71 3m8m n PRO 194 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3m8m n PHE 195 N -1.19 0.49 -4.28 0.54 3.72 -1.26 -4.06 117.46 111.42 3m8m n PHE 195 Ca 0.11 -0.30 -0.25 0.00 -0.05 0.00 0.00 57.45 56.96 3m8m n PHE 195 Cb 0.13 -0.01 -0.17 0.00 -0.94 0.00 0.00 39.48 38.50 3m8m n PHE 195 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3m8m s THR 196 N -1.24 1.07 -1.31 4.37 2.01 -0.55 -4.18 115.64 115.81 3m8m s THR 196 Ca 0.33 -0.39 -0.11 0.00 0.31 0.00 0.00 61.69 61.84 3m8m s THR 196 Cb 0.19 -1.02 0.14 0.00 0.01 0.00 0.00 72.50 71.82 3m8m s THR 196 CO 0.26 0.35 1.91 0.33 -0.69 0.00 0.00 174.62 176.78 3m8m n PHE 197 N 4.29 3.25 -4.12 4.92 -0.00 0.16 -4.56 117.46 121.41 3m8m n PHE 197 Ca -0.19 -2.87 -0.17 0.00 -0.00 0.00 0.00 57.45 54.22 3m8m n PHE 197 Cb 0.51 -2.10 -0.02 0.00 -0.00 0.00 0.00 39.48 37.87 3m8m n PHE 197 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 3m8m n ASP 198 N 4.55 2.46 -1.11 -2.13 5.68 -1.26 -4.31 116.55 120.43 3m8m n ASP 198 Ca 0.42 -2.20 0.09 0.00 -0.50 0.00 0.00 54.79 52.60 3m8m n ASP 198 Cb 0.38 0.10 0.26 0.00 -1.14 0.00 0.00 41.12 40.72 3m8m n ASP 198 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3m8m n THR 199 N -0.96 0.86 -0.25 2.12 -2.24 -1.26 -4.52 114.28 108.02 3m8m n THR 199 Ca -0.07 -0.80 0.02 0.00 -2.27 0.00 0.00 64.05 60.93 3m8m n THR 199 Cb 0.37 0.35 0.24 0.00 -2.10 0.00 0.00 70.33 69.19 3m8m n THR 199 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3m8m h GLN 200 N 3.39 1.00 -0.99 -0.78 1.08 -1.94 -1.62 115.11 115.25 3m8m h GLN 200 Ca 0.00 -0.06 0.05 0.00 -1.45 0.00 0.00 58.65 57.19 3m8m h GLN 200 Cb 0.83 -0.22 -0.06 0.00 -0.05 0.00 0.00 27.48 27.98 3m8m h GLN 200 CO 0.02 0.66 0.64 -0.24 -0.95 0.00 0.00 178.83 178.96 3m8m h VAL 201 N 1.03 1.14 -0.55 -0.54 3.04 -1.87 0.13 116.25 118.64 3m8m h VAL 201 Ca 0.32 -0.42 -0.06 0.00 -1.01 0.00 0.00 66.70 65.53 3m8m h VAL 201 Cb 0.02 -0.18 -0.02 0.00 -2.01 0.00 0.00 31.29 29.10 3m8m h VAL 201 CO -0.09 0.22 0.09 -0.26 -1.01 0.00 0.00 177.57 176.52 3m8m h PHE 202 N 1.21 0.96 0.16 3.17 -1.00 -1.64 -2.02 116.94 117.79 3m8m h PHE 202 Ca 0.40 -0.13 -0.01 0.00 2.81 0.00 0.00 57.97 61.04 3m8m h PHE 202 Cb 0.06 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 39.36 3m8m h PHE 202 CO -0.00 0.85 -0.08 1.25 -1.61 0.00 0.00 178.31 178.72 3m8m h LEU 203 N 0.80 -0.18 -0.93 1.54 5.85 -1.25 -3.33 115.31 117.81 3m8m h LEU 203 Ca 0.17 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 3m8m h LEU 203 Cb 0.40 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3m8m h LEU 203 CO 0.01 0.03 -0.49 -0.33 -0.34 0.00 0.00 178.44 177.33 3m8m h GLU 204 N -0.39 0.11 0.00 1.25 5.08 -0.63 -2.06 114.58 117.94 3m8m h GLU 204 Ca -0.02 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3m8m h GLU 204 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3m8m h GLU 204 CO 0.04 0.57 -0.11 0.28 -1.00 0.00 0.00 179.01 178.79 3m8m h VAL 205 N 0.09 0.49 -0.00 3.13 2.07 -1.47 -2.46 116.25 118.10 3m8m h VAL 205 Ca 0.00 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3m8m h VAL 205 Cb 0.90 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3m8m h VAL 205 CO 0.07 0.11 -0.01 0.18 0.02 0.00 0.00 177.57 177.93 3m8m n LEU 206 N -3.56 0.10 -4.85 2.57 4.77 -0.78 -4.87 117.00 110.38 3m8m n LEU 206 Ca -0.02 0.13 -0.32 0.00 -0.03 0.00 0.00 56.01 55.77 3m8m n LEU 206 Cb 0.24 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 3m8m n LEU 206 CO 0.29 0.02 0.45 -0.76 -1.33 0.00 0.00 177.39 176.06 3m8m s LEU 207 N -2.35 3.99 0.20 2.23 1.43 -0.93 -0.44 118.68 122.82 3m8m s LEU 207 Ca 0.36 1.30 -0.32 0.00 -1.03 0.00 0.00 54.13 54.44 3m8m s LEU 207 Cb 0.21 -4.12 -0.11 0.00 0.03 0.00 0.00 46.19 42.20 3m8m s LEU 207 CO 0.43 -0.27 1.65 -0.75 0.23 0.00 0.00 176.35 177.64 3m8m s LYS 208 N -3.20 4.16 0.34 1.70 2.20 0.32 -4.74 119.74 120.53 3m8m s LYS 208 Ca 0.54 2.51 -0.28 0.00 -0.36 0.00 0.00 55.97 58.39 3m8m s LYS 208 Cb -0.10 -3.10 -0.09 0.00 -1.51 0.00 0.00 37.83 33.03 3m8m s LYS 208 CO 0.20 -0.68 1.21 0.20 -0.36 0.00 0.00 175.35 175.92 3m8m s GLY 209 N 1.08 2.97 0.00 5.54 0.00 -1.26 -4.24 107.32 111.41 3m8m s GLY 209 Ca 0.72 1.07 0.00 0.00 0.00 0.00 0.00 44.72 46.50 3m8m s GLY 209 CO 0.33 1.66 0.16 3.33 0.00 0.00 0.00 173.10 178.58 3m8m n VAL 210 N 0.64 0.00 -3.19 1.40 0.24 0.63 -4.85 118.33 113.21 3m8m n VAL 210 Ca 0.01 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 3m8m n VAL 210 Cb 0.44 1.28 0.00 0.00 -1.47 0.00 0.00 33.84 34.09 3m8m n VAL 210 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3m8m n GLY 211 N 0.22 -0.92 3.18 7.63 0.00 -1.05 -4.99 105.19 109.25 3m8m n GLY 211 Ca 0.00 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 3m8m n GLY 211 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m8m s PHE 212 N -3.00 1.40 0.08 1.61 0.40 -1.26 -0.29 117.98 116.93 3m8m s PHE 212 Ca 0.00 -0.37 0.24 0.00 -0.60 0.00 0.00 56.93 56.21 3m8m s PHE 212 Cb 0.00 -0.83 0.88 0.00 0.51 0.00 0.00 43.02 43.58 3m8m s PHE 212 CO 0.00 0.06 1.81 -1.00 0.70 0.00 0.00 175.22 176.78 3m8m h PRO 213 N 4.85 0.00 0.00 0.24 0.13 -1.74 -3.45 132.00 132.03 3m8m h PRO 213 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3m8m h PRO 213 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3m8m h PRO 213 CO 0.43 0.21 0.00 0.41 -0.23 0.00 0.00 178.00 178.83 3m8m n GLY 214 N 0.26 3.30 3.91 1.56 0.00 -1.26 -4.69 105.19 108.26 3m8m n GLY 214 Ca 0.00 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 3m8m n GLY 214 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3m8m s SER 215 N 1.00 5.66 0.00 1.61 0.01 -1.26 -5.00 113.70 115.71 3m8m s SER 215 Ca 0.00 0.77 0.26 0.00 1.31 0.00 0.00 55.95 58.29 3m8m s SER 215 Cb 0.00 -1.78 0.54 0.00 0.21 0.00 0.00 66.02 64.99 3m8m s SER 215 CO 0.00 -1.03 1.46 0.00 0.41 0.00 0.00 173.24 174.07 3m8m n ALA 216 N -2.58 2.56 -1.69 1.44 0.00 -1.26 -4.47 120.51 114.50 3m8m n ALA 216 Ca 0.04 -0.58 0.06 0.00 0.00 0.00 0.00 53.44 52.96 3m8m n ALA 216 Cb 0.57 -0.96 0.19 0.00 0.00 0.00 0.00 19.45 19.25 3m8m n ALA 216 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3m8m n ASN 217 N 0.78 1.65 -4.80 0.00 6.94 -1.26 -5.04 115.26 113.53 3m8m n ASN 217 Ca 0.16 -3.72 -0.38 0.00 -0.02 0.00 0.00 54.58 50.61 3m8m n ASN 217 Cb 0.49 -0.51 -0.06 0.00 -2.36 0.00 0.00 39.78 37.34 3m8m n ASN 217 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 3m8m s ASN 218 N -3.12 6.77 0.23 0.53 0.02 -1.26 -5.03 114.94 113.08 3m8m s ASN 218 Ca 0.38 0.91 -0.31 0.00 -1.02 0.00 0.00 52.86 52.81 3m8m s ASN 218 Cb 0.37 -2.26 -0.13 0.00 0.02 0.00 0.00 41.25 39.25 3m8m s ASN 218 CO -0.08 0.24 1.50 0.41 0.02 0.00 0.00 177.10 179.19 3m8m n THR 219 N 2.33 0.73 -0.79 1.60 -1.04 -1.26 -2.46 114.28 113.39 3m8m n THR 219 Ca -0.12 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 3m8m n THR 219 Cb 0.52 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.41 3m8m n THR 219 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3m8m n GLY 220 N 2.49 0.82 3.34 3.41 0.00 -1.26 -4.85 105.19 109.14 3m8m n GLY 220 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3m8m n GLY 220 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m8m s GLU 221 N -0.21 1.54 0.33 1.61 2.12 -1.03 -0.52 118.70 122.54 3m8m s GLU 221 Ca 0.00 -1.16 0.03 0.00 0.36 0.00 0.00 54.97 54.20 3m8m s GLU 221 Cb 0.00 -1.82 -0.05 0.00 0.26 0.00 0.00 34.13 32.53 3m8m s GLU 221 CO 0.00 0.45 0.10 0.14 -0.54 0.00 0.00 175.26 175.41 3m8m s VAL 222 N -0.92 0.79 0.49 3.70 -7.23 -0.38 -4.69 120.40 112.16 3m8m s VAL 222 Ca 0.11 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.04 3m8m s VAL 222 Cb -0.10 -2.60 -0.07 0.00 0.56 0.00 0.00 36.38 34.17 3m8m s VAL 222 CO 0.03 0.00 1.41 0.00 -0.31 0.00 0.00 175.10 176.24 3m8m s ALA 223 N -3.40 3.09 0.05 1.32 0.00 -1.26 -4.11 121.76 117.45 3m8m s ALA 223 Ca 0.33 1.44 0.01 0.00 0.00 0.00 0.00 51.96 53.74 3m8m s ALA 223 Cb 0.06 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 3m8m s ALA 223 CO 0.15 -1.28 0.12 0.45 0.00 0.00 0.00 175.76 175.20 3m8m s SER 224 N -0.64 5.85 0.12 0.00 0.15 0.61 -4.43 113.70 115.36 3m8m s SER 224 Ca 0.65 0.13 0.26 0.00 0.70 0.00 0.00 55.95 57.68 3m8m s SER 224 Cb -0.43 -1.68 0.69 0.00 -1.71 0.00 0.00 66.02 62.89 3m8m s SER 224 CO 0.54 0.20 1.61 -0.81 1.20 0.00 0.00 173.24 175.98 3m8m n PRO 225 N 0.60 0.20 -3.11 5.44 -0.04 -1.26 -0.27 135.00 136.56 3m8m n PRO 225 Ca -0.09 0.11 -0.20 0.00 -0.04 0.00 0.00 63.50 63.29 3m8m n PRO 225 Cb 0.52 -1.68 -0.03 0.00 -0.04 0.00 0.00 33.50 32.26 3m8m n PRO 225 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3m8m n LEU 226 N -2.01 1.66 0.02 1.53 4.77 -1.26 -4.73 117.00 116.98 3m8m n LEU 226 Ca 0.05 -5.11 0.14 0.00 -0.03 0.00 0.00 56.01 51.05 3m8m n LEU 226 Cb 0.41 0.43 0.58 0.00 -2.33 0.00 0.00 43.42 42.51 3m8m n LEU 226 CO 0.32 2.28 0.94 -0.81 -1.33 0.00 0.00 177.39 178.80 3m8m n PRO 227 N 0.15 0.05 -1.92 3.23 -0.04 -1.26 -1.23 135.00 133.97 3m8m n PRO 227 Ca 0.26 0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 63.34 3m8m n PRO 227 Cb 0.61 -1.56 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 3m8m n PRO 227 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3m8m s LEU 228 N -3.28 4.37 0.13 1.53 2.96 -1.26 -4.10 118.68 119.02 3m8m s LEU 228 Ca 0.13 2.55 0.02 0.00 -0.22 0.00 0.00 54.13 56.61 3m8m s LEU 228 Cb 0.18 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 3m8m s LEU 228 CO 0.54 -0.86 -0.03 -0.83 -1.32 0.00 0.00 176.35 173.85 3m8m s GLY 229 N 1.85 0.99 -0.26 7.98 0.00 -1.26 -3.44 107.32 113.18 3m8m s GLY 229 Ca 0.72 -1.47 -0.22 0.00 0.00 0.00 0.00 44.72 43.76 3m8m s GLY 229 CO 0.32 -1.48 0.68 -0.45 0.00 0.00 0.00 173.10 172.16 3m8m s SER 230 N -3.10 -0.76 1.67 1.64 0.15 -0.69 -4.89 113.70 107.72 3m8m s SER 230 Ca 0.18 1.39 0.00 0.00 0.70 0.00 0.00 55.95 58.22 3m8m s SER 230 Cb 0.06 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 3m8m s SER 230 CO -0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81 3m8m n GLY 231 N 3.09 3.42 0.07 9.45 0.00 -1.26 -1.05 105.19 118.91 3m8m n GLY 231 Ca -0.15 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 45.88 3m8m n GLY 231 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3m8m n SER 232 N 4.09 0.53 -4.50 1.61 7.64 -1.26 -4.59 113.62 117.13 3m8m n SER 232 Ca 0.00 0.56 -0.44 0.00 1.01 0.00 0.00 58.87 60.00 3m8m n SER 232 Cb 0.00 -0.70 -0.01 0.00 -1.01 0.00 0.00 64.21 62.50 3m8m n SER 232 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3m8m s ASP 233 N -3.99 6.93 0.45 6.43 1.01 -0.22 -4.60 116.67 122.68 3m8m s ASP 233 Ca 0.11 -2.65 -0.24 0.00 0.71 0.00 0.00 52.55 50.48 3m8m s ASP 233 Cb 0.14 -2.45 -0.07 0.00 1.01 0.00 0.00 42.92 41.54 3m8m s ASP 233 CO 0.54 -0.93 1.21 -0.89 0.21 0.00 0.00 175.17 175.31 3m8m s THR 234 N 2.55 2.93 0.91 -1.27 2.01 -1.26 -1.71 115.64 119.79 3m8m s THR 234 Ca 0.44 0.73 -0.11 0.00 0.31 0.00 0.00 61.69 63.06 3m8m s THR 234 Cb -0.01 -3.38 0.14 0.00 0.01 0.00 0.00 72.50 69.25 3m8m s THR 234 CO 0.00 0.02 1.10 -0.83 -0.69 0.00 0.00 174.62 174.22 3m8m s GLY 235 N -1.19 1.64 0.31 4.40 0.00 -1.22 -4.55 107.32 106.71 3m8m s GLY 235 Ca 0.62 0.16 -0.29 0.00 0.00 0.00 0.00 44.72 45.21 3m8m s GLY 235 CO 0.39 0.62 1.41 1.85 0.00 0.00 0.00 173.10 177.38 3m8m s GLU 236 N -4.80 4.25 0.02 2.90 2.12 -0.37 -3.79 118.70 119.04 3m8m s GLU 236 Ca 0.64 2.36 0.02 0.00 0.36 0.00 0.00 54.97 58.35 3m8m s GLU 236 Cb -0.20 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 3m8m s GLU 236 CO 0.58 -0.38 0.01 1.41 -0.54 0.00 0.00 175.26 176.35 3m8m s MET 237 N -1.33 2.77 -0.15 4.30 -2.45 -0.03 -4.25 119.30 118.16 3m8m s MET 237 Ca 0.54 -0.64 0.01 0.00 -1.25 0.00 0.00 55.69 54.35 3m8m s MET 237 Cb -0.43 -2.67 0.00 0.00 1.25 0.00 0.00 34.83 32.99 3m8m s MET 237 CO 0.52 0.61 -0.17 0.50 1.05 0.00 0.00 175.02 177.52 3m8m s ARG 238 N -1.75 3.14 0.29 4.11 3.52 -1.26 -4.30 118.95 122.71 3m8m s ARG 238 Ca 0.21 -0.79 -0.27 0.00 -0.13 0.00 0.00 55.73 54.76 3m8m s ARG 238 Cb -0.12 -2.57 -0.10 0.00 -1.56 0.00 0.00 34.95 30.61 3m8m s ARG 238 CO 0.13 -0.02 0.93 -0.51 -0.81 0.00 0.00 175.30 175.02 3m8m s LEU 239 N 0.87 4.43 0.31 -0.88 1.43 -1.26 -1.25 118.68 122.34 3m8m s LEU 239 Ca -0.05 1.85 0.01 0.00 -1.03 0.00 0.00 54.13 54.92 3m8m s LEU 239 Cb -0.15 -3.88 0.55 0.00 0.03 0.00 0.00 46.19 42.74 3m8m s LEU 239 CO -0.02 0.00 1.94 -0.61 0.23 0.00 0.00 176.35 177.89 3m8m h GLN 240 N 3.47 0.97 -0.34 1.70 -0.00 -0.93 -1.95 115.11 118.02 3m8m h GLN 240 Ca -0.46 -0.06 -0.06 0.00 -0.00 0.00 0.00 58.65 58.07 3m8m h GLN 240 Cb 1.19 -0.22 -0.01 0.00 0.00 0.00 0.00 27.48 28.44 3m8m h GLN 240 CO 0.66 0.64 -0.03 0.66 0.00 0.00 0.00 178.83 180.76 3m8m h SER 241 N 1.00 0.63 -0.26 -0.69 4.64 -1.50 0.13 113.55 117.50 3m8m h SER 241 Ca 0.35 -0.33 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3m8m h SER 241 Cb 0.11 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 3m8m h SER 241 CO -0.11 0.81 0.12 0.44 -0.87 0.00 0.00 176.83 177.21 3m8m h ASP 242 N 0.43 0.34 -0.31 4.97 3.45 -1.82 -0.23 116.42 123.24 3m8m h ASP 242 Ca 0.09 -0.13 0.06 0.00 0.43 0.00 0.00 57.03 57.48 3m8m h ASP 242 Cb 0.51 -0.09 -0.05 0.00 -0.56 0.00 0.00 39.33 39.13 3m8m h ASP 242 CO 0.02 0.38 -0.03 0.15 -1.57 0.00 0.00 179.24 178.19 3m8m h PHE 243 N 0.28 -0.08 -0.66 4.55 3.04 -1.24 -0.64 116.94 122.19 3m8m h PHE 243 Ca 0.09 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.03 3m8m h PHE 243 Cb 0.13 0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.70 3m8m h PHE 243 CO -0.02 -0.09 0.29 0.00 -2.02 0.00 0.00 178.31 176.47 3m8m h ALA 244 N 1.29 0.85 -0.80 2.41 0.00 -0.47 -2.52 119.26 120.03 3m8m h ALA 244 Ca 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3m8m h ALA 244 Cb 0.22 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3m8m h ALA 244 CO -0.29 0.44 0.41 -0.07 0.00 0.00 0.00 179.25 179.75 3m8m h LEU 245 N 0.92 1.01 -1.91 0.00 3.38 -0.81 0.34 115.31 118.25 3m8m h LEU 245 Ca 0.22 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3m8m h LEU 245 Cb 0.16 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3m8m h LEU 245 CO -0.02 0.83 -0.11 0.00 0.09 0.00 0.00 178.44 179.23 3m8m h ALA 246 N 1.33 1.22 0.00 1.53 0.00 -0.70 -3.24 119.26 119.40 3m8m h ALA 246 Ca 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3m8m h ALA 246 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3m8m h ALA 246 CO -0.04 0.13 -0.86 0.72 0.00 0.00 0.00 179.25 179.20 3m8m n HIS 247 N -3.54 0.00 -2.26 0.00 8.25 -0.94 -4.36 115.22 112.37 3m8m n HIS 247 Ca -0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.04 3m8m n HIS 247 Cb 0.24 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 3m8m n HIS 247 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3m8m s ASP 248 N -2.37 6.88 0.57 0.41 -1.08 0.07 -4.77 116.67 116.37 3m8m s ASP 248 Ca 0.00 2.50 0.26 0.00 -0.52 0.00 0.00 52.55 54.80 3m8m s ASP 248 Cb 0.06 -2.64 1.56 0.00 -1.46 0.00 0.00 42.92 40.44 3m8m s ASP 248 CO 0.37 -0.44 2.08 -0.65 0.52 0.00 0.00 175.17 177.05 3m8m h PRO 249 N 3.38 0.00 0.00 4.34 0.11 -1.91 0.99 132.00 138.91 3m8m h PRO 249 Ca -0.48 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 3m8m h PRO 249 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3m8m h PRO 249 CO 0.65 0.00 -0.48 0.00 -0.21 0.00 0.00 178.00 177.97 3m8m h ARG 250 N 0.00 0.00 0.00 1.05 3.08 -1.93 -3.38 114.38 113.20 3m8m h ARG 250 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3m8m h ARG 250 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3m8m h ARG 250 CO -0.00 0.48 0.00 0.25 -1.07 0.00 0.00 179.97 179.63 3m8m n THR 251 N -3.86 0.00 -0.13 2.04 -2.24 -0.62 -4.84 114.28 104.64 3m8m n THR 251 Ca -0.01 -0.30 -0.09 0.00 -2.27 0.00 0.00 64.05 61.38 3m8m n THR 251 Cb 0.51 1.03 -0.00 0.00 -2.10 0.00 0.00 70.33 69.76 3m8m n THR 251 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3m8m h ALA 252 N 0.00 0.50 -0.29 6.98 0.00 -0.88 -0.17 119.26 125.41 3m8m h ALA 252 Ca 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3m8m h ALA 252 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3m8m h ALA 252 CO 0.00 0.03 -0.18 0.00 0.00 0.00 0.00 179.25 179.10 3m8m h ILE 254 N 0.46 1.22 0.08 0.00 2.04 -1.76 0.07 117.51 119.63 3m8m h ILE 254 Ca 0.08 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.23 3m8m h ILE 254 Cb 0.57 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 3m8m h ILE 254 CO 0.04 0.23 -0.14 -0.25 0.00 0.00 0.00 178.15 178.03 3m8m h TRP 255 N 0.22 -0.35 -0.40 1.37 2.91 -0.85 -2.41 115.95 116.44 3m8m h TRP 255 Ca 0.08 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.08 3m8m h TRP 255 Cb 0.29 0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 29.07 3m8m h TRP 255 CO 0.01 -0.21 0.15 0.37 -1.03 0.00 0.00 178.44 177.74 3m8m h GLN 256 N -0.27 0.57 0.00 2.65 4.15 -1.08 -2.72 115.11 118.41 3m8m h GLN 256 Ca 0.02 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3m8m h GLN 256 Cb 0.29 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.87 3m8m h GLN 256 CO -0.07 0.49 0.00 0.78 -1.93 0.00 0.00 178.83 178.09 3m8m h GLY 257 N 0.74 0.00 0.95 2.39 0.00 -0.45 -1.11 103.07 105.58 3m8m h GLY 257 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3m8m h GLY 257 CO -0.01 0.00 -0.72 0.69 0.00 0.00 0.00 176.54 176.50 3m8m n PHE 258 N -2.33 0.33 -1.78 5.60 0.99 -1.02 -4.67 117.46 114.57 3m8m n PHE 258 Ca -0.00 0.10 -0.42 0.00 -0.00 0.00 0.00 57.45 57.12 3m8m n PHE 258 Cb 0.11 -0.49 -0.03 0.00 -1.00 0.00 0.00 39.48 38.07 3m8m n PHE 258 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3m8m s VAL 259 N -3.13 2.60 -1.90 -4.37 1.01 -0.42 -1.81 120.40 112.38 3m8m s VAL 259 Ca 0.07 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.22 3m8m s VAL 259 Cb 0.15 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.42 3m8m s VAL 259 CO 0.74 0.00 0.00 -3.20 0.00 0.00 0.00 175.10 172.64 3m8m n ASN 260 N 5.37 -5.66 -3.27 3.32 5.15 -1.26 -4.91 115.26 114.00 3m8m n ASN 260 Ca 0.17 0.18 -0.25 0.00 -0.60 0.00 0.00 54.58 54.08 3m8m n ASN 260 Cb 0.38 -4.78 -0.07 0.00 -0.53 0.00 0.00 39.78 34.79 3m8m n ASN 260 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3m8m n GLU 261 N -2.74 1.79 0.09 1.20 -0.58 -0.75 -4.86 120.64 114.79 3m8m n GLU 261 Ca -0.23 -4.04 -0.13 0.00 -0.42 0.00 0.00 57.16 52.34 3m8m n GLU 261 Cb 0.68 -1.82 -0.07 0.00 -0.57 0.00 0.00 31.44 29.66 3m8m n GLU 261 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 3m8m h GLN 262 N 3.89 -0.14 -0.74 3.49 -0.00 -1.91 0.05 115.11 119.76 3m8m h GLN 262 Ca 0.14 0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.76 3m8m h GLN 262 Cb 0.75 0.03 -0.03 0.00 0.00 0.00 0.00 27.48 28.23 3m8m h GLN 262 CO 0.67 -0.06 0.31 0.00 0.00 0.00 0.00 178.83 179.74 3m8m h ALA 263 N 0.72 0.95 -0.31 3.38 0.00 -1.96 0.25 119.26 122.30 3m8m h ALA 263 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3m8m h ALA 263 Cb 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3m8m h ALA 263 CO 0.02 0.56 0.16 0.35 0.00 0.00 0.00 179.25 180.34 3m8m h PHE 264 N 1.05 0.44 0.04 0.00 3.57 -1.92 -1.14 116.94 118.97 3m8m h PHE 264 Ca 0.25 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3m8m h PHE 264 Cb 0.19 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3m8m h PHE 264 CO 0.01 0.37 -0.05 1.98 -2.23 0.00 0.00 178.31 178.39 3m8m h MET 265 N 0.37 -0.11 -0.64 1.11 4.05 -0.60 -0.90 114.93 118.21 3m8m h MET 265 Ca 0.11 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.51 3m8m h MET 265 Cb 0.09 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.89 3m8m h MET 265 CO -0.02 -0.07 0.29 0.00 0.23 0.00 0.00 176.91 177.35 3m8m h ALA 266 N 0.85 0.83 -0.71 0.39 0.00 -0.84 -0.16 119.26 119.62 3m8m h ALA 266 Ca 0.01 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3m8m h ALA 266 Cb 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3m8m h ALA 266 CO -0.03 0.41 0.16 0.00 0.00 0.00 0.00 179.25 179.79 3m8m h ALA 267 N 1.13 0.94 -0.47 0.00 0.00 -1.11 -0.53 119.26 119.22 3m8m h ALA 267 Ca 0.22 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3m8m h ALA 267 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3m8m h ALA 267 CO -0.02 0.67 -0.15 0.77 0.00 0.00 0.00 179.25 180.52 3m8m h SER 268 N 1.08 0.94 -0.27 0.00 0.02 -0.88 -1.46 113.55 112.97 3m8m h SER 268 Ca 0.22 -0.38 0.01 0.00 -0.84 0.00 0.00 61.79 60.80 3m8m h SER 268 Cb 0.39 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3m8m h SER 268 CO 0.01 1.11 0.16 0.15 -1.14 0.00 0.00 176.83 177.11 3m8m h PHE 269 N 0.77 0.30 -0.46 3.45 3.57 -0.89 -1.64 116.94 122.05 3m8m h PHE 269 Ca 0.11 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.68 3m8m h PHE 269 Cb 0.71 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.31 3m8m h PHE 269 CO 0.05 0.18 0.17 -0.09 -2.23 0.00 0.00 178.31 176.39 3m8m h ARG 270 N 0.33 0.34 -0.52 1.11 2.43 -0.82 0.16 114.38 117.40 3m8m h ARG 270 Ca 0.10 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3m8m h ARG 270 Cb -0.01 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3m8m h ARG 270 CO -0.05 0.23 0.17 0.00 -1.51 0.00 0.00 179.97 178.81 3m8m h ALA 271 N 1.29 0.68 -0.46 2.80 0.00 -1.00 -1.10 119.26 121.47 3m8m h ALA 271 Ca 0.21 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3m8m h ALA 271 Cb 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3m8m h ALA 271 CO -0.21 0.34 -0.14 0.00 0.00 0.00 0.00 179.25 179.24 3m8m h ALA 272 N 1.03 0.87 -0.21 0.00 0.00 -1.00 -2.75 119.26 117.20 3m8m h ALA 272 Ca 0.17 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3m8m h ALA 272 Cb 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3m8m h ALA 272 CO -0.01 0.64 -0.13 0.52 0.00 0.00 0.00 179.25 180.27 3m8m h MET 273 N 0.78 0.34 -0.70 0.00 2.07 -0.73 -0.47 114.93 116.22 3m8m h MET 273 Ca 0.12 -0.09 0.03 0.00 -2.07 0.00 0.00 59.70 57.69 3m8m h MET 273 Cb 0.67 -0.04 -0.04 0.00 -1.87 0.00 0.00 31.60 30.32 3m8m h MET 273 CO 0.05 0.48 0.46 0.66 1.07 0.00 0.00 176.91 179.63 3m8m h SER 274 N 0.32 0.75 0.00 1.22 4.64 -0.90 -0.68 113.55 118.89 3m8m h SER 274 Ca 0.06 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.25 3m8m h SER 274 Cb 0.43 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 62.36 3m8m h SER 274 CO 0.03 0.52 -0.47 0.11 -0.87 0.00 0.00 176.83 176.14 3m8m h LYS 275 N 0.87 0.32 -0.62 4.77 1.57 -1.35 -3.35 116.57 118.79 3m8m h LYS 275 Ca 0.27 -0.35 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3m8m h LYS 275 Cb 0.01 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3m8m h LYS 275 CO -0.07 1.04 0.37 1.25 -0.57 0.00 0.00 179.45 181.47 3m8m h LEU 276 N -0.25 0.59 -1.21 2.94 6.46 -0.81 -2.85 115.31 120.18 3m8m h LEU 276 Ca -0.06 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 3m8m h LEU 276 Cb 1.21 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 41.02 3m8m h LEU 276 CO 0.09 0.41 0.00 0.00 -0.62 0.00 0.00 178.44 178.32 3m8m h ALA 277 N 1.28 1.00 -0.20 1.25 0.00 -1.25 -2.49 119.26 118.85 3m8m h ALA 277 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3m8m h ALA 277 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3m8m h ALA 277 CO -0.12 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.46 3m8m n VAL 278 N -2.50 1.41 -1.69 0.00 0.24 -1.08 -4.81 118.33 109.91 3m8m n VAL 278 Ca 0.01 -1.36 -0.44 0.00 -2.04 0.00 0.00 64.34 60.51 3m8m n VAL 278 Cb 0.19 0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 32.77 3m8m n VAL 278 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3m8m n LEU 279 N -0.21 3.34 0.00 1.34 4.77 -0.94 -1.29 117.00 124.01 3m8m n LEU 279 Ca 0.12 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.25 3m8m n LEU 279 Cb 0.52 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 3m8m n LEU 279 CO 0.07 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.34 3m8m n GLY 280 N 1.94 0.73 3.08 -0.72 0.00 -1.26 -0.87 105.19 108.08 3m8m n GLY 280 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 3m8m n GLY 280 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3m8m s HIS 281 N -2.81 0.57 -0.26 1.61 3.76 -0.41 -4.95 115.29 112.80 3m8m s HIS 281 Ca 0.00 -0.78 -0.20 0.00 -0.15 0.00 0.00 55.06 53.92 3m8m s HIS 281 Cb 0.00 -0.37 -0.02 0.00 1.11 0.00 0.00 32.58 33.30 3m8m s HIS 281 CO 0.00 -0.22 0.63 1.21 -0.85 0.00 0.00 174.74 175.51 3m8m s ASN 282 N -2.32 6.57 0.64 1.40 3.84 -1.26 -4.95 114.94 118.87 3m8m s ASN 282 Ca -0.01 0.69 0.41 0.00 0.21 0.00 0.00 52.86 54.16 3m8m s ASN 282 Cb -0.01 -2.34 2.23 0.00 -0.55 0.00 0.00 41.25 40.58 3m8m s ASN 282 CO -0.04 -0.38 2.32 0.08 -2.79 0.00 0.00 177.10 176.28 3m8m h ARG 283 N 7.92 0.00 0.00 0.43 0.11 -1.95 0.25 114.38 121.14 3m8m h ARG 283 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.81 3m8m h ARG 283 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 3m8m h ARG 283 CO 0.78 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.94 3m8m n ASN 284 N -3.24 0.00 -0.80 0.08 4.13 -1.26 -2.54 115.26 111.62 3m8m n ASN 284 Ca -0.03 -0.09 0.09 0.00 1.68 0.00 0.00 54.58 56.23 3m8m n ASN 284 Cb 0.09 -0.26 0.14 0.00 -1.54 0.00 0.00 39.78 38.21 3m8m n ASN 284 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3m8m n SER 285 N -1.26 2.82 -4.48 6.41 7.64 0.08 -4.97 113.62 119.85 3m8m n SER 285 Ca 0.11 -1.83 -0.33 0.00 1.01 0.00 0.00 58.87 57.84 3m8m n SER 285 Cb 0.17 -0.14 -0.13 0.00 -1.01 0.00 0.00 64.21 63.10 3m8m n SER 285 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3m8m s LEU 286 N -1.26 2.80 0.32 -3.43 1.43 -1.05 -4.93 118.68 112.55 3m8m s LEU 286 Ca 0.26 -0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 53.01 3m8m s LEU 286 Cb 0.16 -1.58 -0.09 0.00 0.03 0.00 0.00 46.19 44.71 3m8m s LEU 286 CO 0.23 0.34 0.78 0.27 0.23 0.00 0.00 176.35 178.19 3m8m s ILE 287 N -0.66 4.59 -0.45 -0.59 -4.36 -0.28 -4.78 121.20 114.66 3m8m s ILE 287 Ca 0.10 1.14 -0.23 0.00 -0.26 0.00 0.00 60.65 61.40 3m8m s ILE 287 Cb -0.11 -3.67 0.02 0.00 1.25 0.00 0.00 42.46 39.95 3m8m s ILE 287 CO 0.01 -0.12 0.81 -0.62 0.24 0.00 0.00 174.94 175.26 3m8m s ASP 288 N -2.11 6.43 -0.29 4.36 3.68 -1.26 -0.61 116.67 126.87 3m8m s ASP 288 Ca 0.53 -0.05 0.09 0.00 2.13 0.00 0.00 52.55 55.25 3m8m s ASP 288 Cb -0.12 -2.40 0.49 0.00 -1.45 0.00 0.00 42.92 39.45 3m8m s ASP 288 CO 0.18 -0.93 1.44 0.00 0.13 0.00 0.00 175.17 175.99 3m8m h SER 290 N 1.08 0.00 0.57 0.00 0.02 -1.73 -2.50 113.55 110.99 3m8m h SER 290 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3m8m h SER 290 Cb 1.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.10 3m8m h SER 290 CO 0.39 0.10 0.00 -0.90 -1.14 0.00 0.00 176.83 175.28 3m8m n ASP 291 N -4.12 0.01 -0.95 3.07 3.85 -1.26 -2.29 116.55 114.86 3m8m n ASP 291 Ca -0.03 0.50 0.11 0.00 -0.71 0.00 0.00 54.79 54.66 3m8m n ASP 291 Cb 0.19 -0.51 0.14 0.00 -1.35 0.00 0.00 41.12 39.59 3m8m n ASP 291 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.20 177.52 3m8m n VAL 292 N -1.51 0.26 -2.36 2.12 0.24 -0.94 -4.89 118.33 111.24 3m8m n VAL 292 Ca 0.04 -0.63 -0.41 0.00 -2.04 0.00 0.00 64.34 61.30 3m8m n VAL 292 Cb 0.19 1.20 -0.03 0.00 -1.47 0.00 0.00 33.84 33.73 3m8m n VAL 292 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3m8m s VAL 293 N -1.58 3.64 0.63 3.34 1.01 -0.97 -4.84 120.40 121.63 3m8m s VAL 293 Ca 0.30 1.31 -0.18 0.00 0.00 0.00 0.00 61.98 63.41 3m8m s VAL 293 Cb 0.19 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 3m8m s VAL 293 CO 0.28 0.18 1.21 -2.65 0.00 0.00 0.00 175.10 174.11 3m8m n PRO 294 N 2.94 1.09 -2.04 2.72 -0.02 -1.26 -4.93 135.00 133.50 3m8m n PRO 294 Ca 0.06 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 3m8m n PRO 294 Cb 0.45 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 3m8m n PRO 294 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3m8m s VAL 295 N -1.41 2.91 0.55 -1.45 1.01 -1.26 -4.87 120.40 115.88 3m8m s VAL 295 Ca 0.80 0.67 -0.17 0.00 0.00 0.00 0.00 61.98 63.28 3m8m s VAL 295 Cb -0.39 -3.43 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 3m8m s VAL 295 CO 0.43 0.06 1.03 -2.16 0.00 0.00 0.00 175.10 174.45 3m8m s PRO 296 N 0.93 3.63 0.26 2.72 0.04 -1.26 -4.92 135.00 136.39 3m8m s PRO 296 Ca 0.66 1.12 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 3m8m s PRO 296 Cb -0.41 -2.08 -0.11 0.00 0.04 0.00 0.00 34.50 31.94 3m8m s PRO 296 CO 0.32 -0.55 1.57 0.15 0.04 0.00 0.00 177.00 178.53 3m8m s LYS 297 N -3.98 4.17 0.52 4.56 1.02 -0.42 -4.96 119.74 120.64 3m8m s LYS 297 Ca 0.62 2.49 -0.18 0.00 0.02 0.00 0.00 55.97 58.92 3m8m s LYS 297 Cb -0.13 -3.06 -0.07 0.00 -0.52 0.00 0.00 37.83 34.04 3m8m s LYS 297 CO 0.33 -0.59 1.03 -1.25 -0.92 0.00 0.00 175.35 173.94 3m8m s PRO 298 N -0.10 3.72 0.88 -1.68 0.04 -1.26 -1.39 135.00 135.21 3m8m s PRO 298 Ca 0.64 1.22 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 3m8m s PRO 298 Cb -0.46 -2.09 0.12 0.00 0.04 0.00 0.00 34.50 32.11 3m8m s PRO 298 CO 0.43 -0.48 1.11 0.00 0.04 0.00 0.00 177.00 178.10 3m8m s ALA 299 N -2.26 1.61 -0.33 8.56 0.00 -1.26 -4.00 121.76 124.08 3m8m s ALA 299 Ca 0.64 0.35 0.27 0.00 0.00 0.00 0.00 51.96 53.22 3m8m s ALA 299 Cb -0.14 -3.34 0.87 0.00 0.00 0.00 0.00 23.12 20.50 3m8m s ALA 299 CO 0.26 -2.45 1.78 1.79 0.00 0.00 0.00 175.76 177.14 3m8m h THR 300 N -1.63 0.00 0.00 0.00 1.35 -1.96 -3.47 112.91 107.19 3m8m h THR 300 Ca -0.45 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 3m8m h THR 300 Cb 1.26 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 3m8m h THR 300 CO 0.47 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 3m8m n GLY 301 N 0.61 0.75 3.78 5.82 0.00 -1.26 -5.05 105.19 109.84 3m8m n GLY 301 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3m8m n GLY 301 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3m8m s GLN 302 N -0.39 4.32 0.91 1.61 0.74 -1.26 -5.01 119.66 120.57 3m8m s GLN 302 Ca 0.00 1.49 -0.10 0.00 0.05 0.00 0.00 55.36 56.79 3m8m s GLN 302 Cb 0.00 -2.66 0.14 0.00 1.10 0.00 0.00 33.01 31.59 3m8m s GLN 302 CO 0.00 -0.00 1.13 -1.25 -0.55 0.00 0.00 175.29 174.61 3m8m s PRO 303 N -2.30 1.10 0.68 1.67 0.04 -1.26 -5.00 135.00 129.94 3m8m s PRO 303 Ca 0.55 1.40 -0.16 0.00 0.04 0.00 0.00 61.00 62.82 3m8m s PRO 303 Cb -0.22 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.59 3m8m s PRO 303 CO 0.28 -2.52 1.21 0.00 0.04 0.00 0.00 177.00 176.00 3m8m s ALA 304 N -2.69 2.28 0.00 8.56 0.00 -1.26 -5.05 121.76 123.60 3m8m s ALA 304 Ca 0.66 0.91 -0.02 0.00 0.00 0.00 0.00 51.96 53.50 3m8m s ALA 304 Cb -0.22 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 3m8m s ALA 304 CO 0.58 -1.62 0.04 -1.64 0.00 0.00 0.00 175.76 173.12 3m8m s MET 305 N -3.74 0.28 0.12 0.00 -1.94 -1.26 -4.46 119.30 108.30 3m8m s MET 305 Ca 0.75 -0.34 -0.31 0.00 -1.71 0.00 0.00 55.69 54.08 3m8m s MET 305 Cb -0.29 0.11 -0.09 0.00 2.01 0.00 0.00 34.83 36.57 3m8m s MET 305 CO 0.41 -0.05 1.55 -0.06 -0.01 0.00 0.00 175.02 176.86 3m8m s PHE 306 N -0.97 2.90 0.68 -0.03 0.40 -0.12 -4.89 117.98 115.95 3m8m s PHE 306 Ca -0.11 0.61 -0.17 0.00 -0.60 0.00 0.00 56.93 56.66 3m8m s PHE 306 Cb -0.06 -3.88 0.01 0.00 0.51 0.00 0.00 43.02 39.60 3m8m s PHE 306 CO -0.00 -3.32 1.24 -2.14 0.70 0.00 0.00 175.22 171.70 3m8m s PRO 307 N 1.62 2.39 0.31 0.24 0.02 -1.26 -1.13 135.00 137.19 3m8m s PRO 307 Ca 0.70 1.88 -0.28 0.00 0.02 0.00 0.00 61.00 63.32 3m8m s PRO 307 Cb -0.41 -1.85 -0.13 0.00 0.02 0.00 0.00 34.50 32.13 3m8m s PRO 307 CO 0.31 -1.67 1.17 0.00 -0.33 0.00 0.00 177.00 176.48 3m8m n ALA 308 N -2.27 0.60 -0.46 -1.55 0.00 -1.25 -1.62 120.51 113.96 3m8m n ALA 308 Ca 0.14 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3m8m n ALA 308 Cb 0.49 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.79 3m8m n ALA 308 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3m8m n SER 309 N 1.06 0.00 -4.47 0.00 3.41 -1.26 -4.18 113.62 108.19 3m8m n SER 309 Ca 0.07 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.46 3m8m n SER 309 Cb 0.34 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.18 3m8m n SER 309 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3m8m s THR 310 N -3.00 1.70 0.08 6.66 -4.23 -0.64 -4.97 115.64 111.24 3m8m s THR 310 Ca 0.00 -2.11 -0.13 0.00 -1.18 0.00 0.00 61.69 58.27 3m8m s THR 310 Cb 0.00 -2.58 0.04 0.00 1.34 0.00 0.00 72.50 71.31 3m8m s THR 310 CO 0.00 -0.22 0.60 0.61 -0.54 0.00 0.00 174.62 175.07 3m8m n GLY 311 N -0.66 0.80 0.33 3.99 0.00 -1.26 -4.72 105.19 103.67 3m8m n GLY 311 Ca -0.05 -1.03 0.14 0.00 0.00 0.00 0.00 46.02 45.08 3m8m n GLY 311 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3m8m h PRO 312 N 0.00 0.06 0.00 1.61 0.11 -1.99 0.09 132.00 131.88 3m8m h PRO 312 Ca -0.14 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3m8m h PRO 312 Cb 0.66 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.76 3m8m h PRO 312 CO 0.20 0.04 0.00 -0.56 -0.21 0.00 0.00 178.00 177.46 3m8m h GLN 313 N 0.06 0.00 -0.01 1.05 -0.00 -2.03 -2.23 115.11 111.95 3m8m h GLN 313 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.80 3m8m h GLN 313 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.01 3m8m h GLN 313 CO -0.01 0.00 -0.32 -0.25 -0.00 0.00 0.00 178.83 178.25 3m8m n ASP 314 N -2.46 1.01 -4.77 0.06 10.43 0.02 -4.96 116.55 115.89 3m8m n ASP 314 Ca -0.00 -0.84 -0.40 0.00 2.57 0.00 0.00 54.79 56.12 3m8m n ASP 314 Cb 0.14 0.19 -0.01 0.00 1.84 0.00 0.00 41.12 43.28 3m8m n ASP 314 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3m8m s LEU 315 N -2.58 4.26 -0.66 0.64 1.43 -0.84 -0.52 118.68 120.42 3m8m s LEU 315 Ca 0.22 2.64 0.01 0.00 -1.03 0.00 0.00 54.13 55.97 3m8m s LEU 315 Cb 0.19 -3.85 0.16 0.00 0.03 0.00 0.00 46.19 42.72 3m8m s LEU 315 CO 0.56 -0.76 0.45 -1.61 0.23 0.00 0.00 176.35 175.22 3m8m s GLU 316 N -2.13 2.47 0.21 1.70 2.02 0.42 -4.87 118.70 118.51 3m8m s GLU 316 Ca 0.55 -2.89 -0.16 0.00 0.02 0.00 0.00 54.97 52.49 3m8m s GLU 316 Cb -0.38 -3.56 -0.08 0.00 0.10 0.00 0.00 34.13 30.21 3m8m s GLU 316 CO 0.49 -1.20 0.64 -0.51 0.02 0.00 0.00 175.26 174.70 3m8m s LEU 317 N -0.70 4.28 -0.00 1.80 1.43 -1.26 -4.89 118.68 119.35 3m8m s LEU 317 Ca 0.21 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 3m8m s LEU 317 Cb -0.16 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.52 3m8m s LEU 317 CO -0.07 0.01 0.73 -1.20 0.23 0.00 0.00 176.35 176.05 3m8m n SER 318 N 0.51 0.00 -4.00 2.29 7.64 -1.26 -5.02 113.62 113.78 3m8m n SER 318 Ca -0.02 -1.45 -0.31 0.00 1.01 0.00 0.00 58.87 58.09 3m8m n SER 318 Cb 0.52 -0.09 -0.15 0.00 -1.01 0.00 0.00 64.21 63.48 3m8m n SER 318 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3m8m h PRO 320 N 7.33 0.00 -0.21 0.00 0.11 -1.99 -3.23 132.00 134.01 3m8m h PRO 320 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3m8m h PRO 320 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3m8m h PRO 320 CO 0.56 0.09 0.00 -1.13 -0.21 0.00 0.00 178.00 177.31 3m8m n SER 321 N -3.25 3.09 -3.91 -2.05 3.41 -1.26 -4.91 113.62 104.74 3m8m n SER 321 Ca 0.00 -1.93 -0.20 0.00 -0.26 0.00 0.00 58.87 56.48 3m8m n SER 321 Cb 0.33 -0.13 -0.16 0.00 -0.26 0.00 0.00 64.21 63.99 3m8m n SER 321 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3m8m s GLU 322 N -1.57 0.90 0.05 4.33 2.02 -1.22 -5.12 118.70 118.09 3m8m s GLU 322 Ca 0.31 -0.13 -0.31 0.00 0.02 0.00 0.00 54.97 54.86 3m8m s GLU 322 Cb 0.20 -0.88 -0.07 0.00 0.10 0.00 0.00 34.13 33.48 3m8m s GLU 322 CO 0.28 -0.07 1.41 0.50 0.02 0.00 0.00 175.26 177.40 3m8m s ARG 323 N 0.87 4.30 0.18 1.61 3.52 -1.26 -4.90 118.95 123.27 3m8m s ARG 323 Ca -0.12 2.03 -0.30 0.00 -0.13 0.00 0.00 55.73 57.21 3m8m s ARG 323 Cb -0.14 -3.44 -0.09 0.00 -1.56 0.00 0.00 34.95 29.72 3m8m s ARG 323 CO 0.01 -0.52 1.33 0.12 -0.81 0.00 0.00 175.30 175.43 3m8m s PHE 324 N 1.84 3.25 0.78 5.12 2.19 -1.26 -4.97 117.98 124.93 3m8m s PHE 324 Ca 0.65 1.17 -0.11 0.00 0.33 0.00 0.00 56.93 58.97 3m8m s PHE 324 Cb -0.34 -3.62 0.06 0.00 -1.31 0.00 0.00 43.02 37.81 3m8m s PHE 324 CO 0.29 -2.00 1.10 -1.25 1.83 0.00 0.00 175.22 175.19 3m8m s PRO 325 N 0.10 2.13 -0.37 10.12 0.04 -1.26 -4.99 135.00 140.77 3m8m s PRO 325 Ca 0.58 1.23 -0.27 0.00 0.04 0.00 0.00 61.00 62.58 3m8m s PRO 325 Cb -0.37 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.31 3m8m s PRO 325 CO 0.37 -1.74 1.01 0.99 0.04 0.00 0.00 177.00 177.66 3m8m s THR 326 N -2.84 4.50 0.13 1.26 2.01 -1.26 -5.04 115.64 114.40 3m8m s THR 326 Ca 0.62 1.38 0.09 0.00 0.31 0.00 0.00 61.69 64.09 3m8m s THR 326 Cb -0.18 -4.41 -0.04 0.00 0.01 0.00 0.00 72.50 67.89 3m8m s THR 326 CO 0.55 -0.60 -0.21 -0.76 -0.69 0.00 0.00 174.62 172.92 3m8m s LEU 327 N 3.69 2.35 0.68 4.42 1.43 -1.26 -5.10 118.68 124.90 3m8m s LEU 327 Ca 0.42 -0.76 -0.10 0.00 -1.03 0.00 0.00 54.13 52.66 3m8m s LEU 327 Cb -0.11 -0.94 0.01 0.00 0.03 0.00 0.00 46.19 45.19 3m8m s LEU 327 CO 0.20 0.05 1.06 0.42 0.23 0.00 0.00 176.35 178.31 3m8m s THR 328 N -1.45 3.52 -0.10 5.49 -4.23 -1.26 -4.85 115.64 112.76 3m8m s THR 328 Ca 0.11 0.40 0.02 0.00 -1.18 0.00 0.00 61.69 61.04 3m8m s THR 328 Cb -0.09 -3.48 -0.01 0.00 1.34 0.00 0.00 72.50 70.27 3m8m s THR 328 CO 0.06 -0.60 -0.17 -0.89 -0.54 0.00 0.00 174.62 172.47 3m8m s THR 329 N -3.29 2.72 0.29 3.99 2.01 -1.26 -0.94 115.64 119.15 3m8m s THR 329 Ca 0.57 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 61.48 3m8m s THR 329 Cb -0.11 -2.09 -0.11 0.00 0.01 0.00 0.00 72.50 70.20 3m8m s THR 329 CO 0.51 0.55 1.52 -1.58 -0.69 0.00 0.00 174.62 174.93 3m8m s GLN 330 N 0.09 4.18 0.73 4.92 0.74 -0.28 -4.94 119.66 125.11 3m8m s GLN 330 Ca -0.08 2.47 -0.14 0.00 0.05 0.00 0.00 55.36 57.67 3m8m s GLN 330 Cb -0.15 -3.05 0.04 0.00 1.10 0.00 0.00 33.01 30.95 3m8m s GLN 330 CO 0.05 -0.53 1.15 -2.14 -0.55 0.00 0.00 175.29 173.27 3m8m s PRO 331 N -0.68 2.23 0.00 1.67 0.02 -1.26 -3.85 135.00 133.13 3m8m s PRO 331 Ca 0.60 1.54 0.00 0.00 0.02 0.00 0.00 61.00 63.16 3m8m s PRO 331 Cb -0.45 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.20 3m8m s PRO 331 CO 0.48 -1.72 0.00 0.41 -0.33 0.00 0.00 177.00 175.85 3m8m n GLY 332 N -0.13 4.27 0.09 0.52 0.00 -1.26 -4.73 105.19 103.95 3m8m n GLY 332 Ca 0.12 -1.38 -0.03 0.00 0.00 0.00 0.00 46.02 44.73 3m8m n GLY 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m8m h ALA 333 N 0.00 0.63 -2.11 4.61 0.00 -1.96 -3.35 119.26 117.08 3m8m h ALA 333 Ca 0.00 -0.91 -0.45 0.00 0.00 0.00 0.00 54.91 53.55 3m8m h ALA 333 Cb 0.00 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 17.82 3m8m h ALA 333 CO 0.00 1.07 -0.65 -1.12 0.00 0.00 0.00 179.25 178.54 3m8m s SER 334 N -6.17 2.34 0.32 0.00 0.01 -1.26 -4.56 113.70 104.38 3m8m s SER 334 Ca -0.01 -1.24 -0.29 0.00 1.31 0.00 0.00 55.95 55.72 3m8m s SER 334 Cb 0.09 -0.09 -0.10 0.00 0.21 0.00 0.00 66.02 66.12 3m8m s SER 334 CO 0.80 -0.46 1.38 -1.58 0.41 0.00 0.00 173.24 173.79 3m8m s GLN 335 N -3.81 4.28 0.32 12.44 0.74 -1.26 -4.27 119.66 128.10 3m8m s GLN 335 Ca 0.31 2.31 -0.24 0.00 0.05 0.00 0.00 55.36 57.78 3m8m s GLN 335 Cb 0.06 -3.06 -0.10 0.00 1.10 0.00 0.00 33.01 31.01 3m8m s GLN 335 CO 0.11 -0.32 0.91 -1.12 -0.55 0.00 0.00 175.29 174.32 3m8m s SER 336 N -0.19 7.24 0.39 6.67 0.01 -1.26 -5.04 113.70 121.52 3m8m s SER 336 Ca 0.52 1.75 -0.27 0.00 1.31 0.00 0.00 55.95 59.26 3m8m s SER 336 Cb -0.42 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.17 3m8m s SER 336 CO 0.52 -0.09 1.35 -0.76 0.41 0.00 0.00 173.24 174.68 3m8m s LEU 337 N -2.18 4.26 -0.35 2.44 1.43 -1.26 -4.98 118.68 118.04 3m8m s LEU 337 Ca 0.50 2.76 -0.19 0.00 -1.03 0.00 0.00 54.13 56.18 3m8m s LEU 337 Cb -0.17 -3.82 -0.00 0.00 0.03 0.00 0.00 46.19 42.23 3m8m s LEU 337 CO 0.22 -0.83 0.54 -0.63 0.23 0.00 0.00 176.35 175.88 3m8m s ILE 338 N -1.21 4.99 0.35 -0.59 1.01 -1.26 -5.02 121.20 119.47 3m8m s ILE 338 Ca 0.55 0.37 -0.28 0.00 0.00 0.00 0.00 60.65 61.29 3m8m s ILE 338 Cb -0.40 -3.99 -0.12 0.00 0.01 0.00 0.00 42.46 37.96 3m8m s ILE 338 CO 0.53 -0.24 1.41 0.00 0.00 0.00 0.00 174.94 176.64 3m8m n ALA 339 N 5.80 1.91 0.20 9.38 0.00 -1.26 -4.39 120.51 132.16 3m8m n ALA 339 Ca -0.04 0.35 0.08 0.00 0.00 0.00 0.00 53.44 53.84 3m8m n ALA 339 Cb 0.49 -2.35 0.31 0.00 0.00 0.00 0.00 19.45 17.90 3m8m n ALA 339 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3m8m h HIS 340 N 2.98 0.00 -4.07 0.00 2.76 -1.88 -3.45 115.15 111.49 3m8m h HIS 340 Ca -0.48 0.00 -0.69 0.00 -2.20 0.00 0.00 60.37 57.00 3m8m h HIS 340 Cb 1.26 0.00 -0.23 0.00 1.55 0.00 0.00 27.41 29.98 3m8m h HIS 340 CO 0.53 0.27 -0.84 0.00 -1.30 0.00 0.00 177.93 176.58 3m8m h PRO 342 N 4.46 0.00 -0.19 0.00 0.11 -1.94 -1.40 132.00 133.04 3m8m h PRO 342 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3m8m h PRO 342 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3m8m h PRO 342 CO 0.45 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.84 3m8m n ASP 343 N -3.75 3.11 0.00 -2.05 3.85 -1.26 -4.95 116.55 111.50 3m8m n ASP 343 Ca 0.07 -1.95 0.00 0.00 -0.71 0.00 0.00 54.79 52.20 3m8m n ASP 343 Cb 0.59 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 40.24 3m8m n ASP 343 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3m8m n GLY 344 N 1.33 0.62 3.91 6.12 0.00 -0.53 -5.02 105.19 111.62 3m8m n GLY 344 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 3m8m n GLY 344 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m8m s SER 345 N -2.36 4.39 0.00 1.61 1.04 -1.26 -4.90 113.70 112.22 3m8m s SER 345 Ca 0.00 0.62 0.29 0.00 0.48 0.00 0.00 55.95 57.34 3m8m s SER 345 Cb 0.00 -1.09 1.41 0.00 0.10 0.00 0.00 66.02 66.45 3m8m s SER 345 CO 0.00 -1.94 1.99 1.15 0.98 0.00 0.00 173.24 175.42 3m8m n MET 346 N -3.28 0.32 -3.69 4.02 3.85 -1.26 -4.45 117.12 112.64 3m8m n MET 346 Ca 0.09 0.01 -0.10 0.00 -1.00 0.00 0.00 57.70 56.70 3m8m n MET 346 Cb 0.61 -1.50 -0.11 0.00 -1.05 0.00 0.00 33.22 31.17 3m8m n MET 346 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3m8m s SER 347 N -2.67 -0.40 -0.44 3.17 0.15 -1.26 -5.05 113.70 107.20 3m8m s SER 347 Ca 0.24 0.89 0.07 0.00 0.70 0.00 0.00 55.95 57.85 3m8m s SER 347 Cb 0.19 0.89 0.32 0.00 -1.71 0.00 0.00 66.02 65.71 3m8m s SER 347 CO 0.46 -0.20 1.03 0.00 1.20 0.00 0.00 173.24 175.73 3m8m s PRO 349 N -0.22 4.36 0.32 0.00 0.04 -1.26 -4.95 135.00 133.30 3m8m s PRO 349 Ca 0.26 2.15 -0.22 0.00 0.04 0.00 0.00 61.00 63.22 3m8m s PRO 349 Cb 0.30 -3.14 -0.10 0.00 0.04 0.00 0.00 34.50 31.60 3m8m s PRO 349 CO -0.07 -0.26 0.87 0.20 0.04 0.00 0.00 177.00 177.79 3m8m s GLY 350 N 0.08 2.61 0.29 0.56 0.00 -1.26 -5.02 107.32 104.57 3m8m s GLY 350 Ca 0.55 0.35 -0.29 0.00 0.00 0.00 0.00 44.72 45.33 3m8m s GLY 350 CO 0.43 0.71 1.44 0.14 0.00 0.00 0.00 173.10 175.83 3m8m s VAL 351 N -1.77 2.51 -0.07 1.40 1.01 -1.26 -5.01 120.40 117.20 3m8m s VAL 351 Ca 0.52 0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.92 3m8m s VAL 351 Cb -0.15 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 32.99 3m8m s VAL 351 CO 0.20 0.08 0.16 -1.58 0.00 0.00 0.00 175.10 173.96 3m8m s GLN 352 N -0.88 0.08 0.10 2.72 2.00 -1.26 -4.95 119.66 117.47 3m8m s GLN 352 Ca 0.57 0.44 -0.12 0.00 -2.00 0.00 0.00 55.36 54.25 3m8m s GLN 352 Cb -0.43 -0.20 -0.06 0.00 0.80 0.00 0.00 33.01 33.12 3m8m s GLN 352 CO 0.48 -0.21 0.47 -0.06 -0.50 0.00 0.00 175.29 175.47 3m8m s PHE 353 N 1.53 3.61 0.65 1.67 0.08 -1.26 -5.08 117.98 119.18 3m8m s PHE 353 Ca -0.05 0.94 -0.14 0.00 0.12 0.00 0.00 56.93 57.79 3m8m s PHE 353 Cb -0.12 -2.27 -0.01 0.00 -0.57 0.00 0.00 43.02 40.06 3m8m s PHE 353 CO -0.06 0.49 1.08 -0.80 -0.10 0.00 0.00 175.22 175.83 3m8m s ASN 354 N -1.66 5.34 -0.00 1.36 0.02 -1.26 -4.48 114.94 114.25 3m8m s ASN 354 Ca 0.34 1.85 -0.03 0.00 -1.02 0.00 0.00 52.86 54.00 3m8m s ASN 354 Cb -0.15 -2.53 0.01 0.00 0.02 0.00 0.00 41.25 38.60 3m8m s ASN 354 CO 0.18 -1.47 0.14 0.61 0.02 0.00 0.00 177.10 176.58 3m8m n GLY 355 N -0.99 0.62 0.22 0.66 0.00 -1.26 -4.91 105.19 99.52 3m8m n GLY 355 Ca 0.09 -0.86 0.12 0.00 0.00 0.00 0.00 46.02 45.37 3m8m n GLY 355 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3m8m h PRO 356 N 0.00 0.00 0.00 1.61 0.13 -1.94 -3.49 132.00 128.30 3m8m h PRO 356 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3m8m h PRO 356 Cb 0.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.26 3m8m h PRO 356 CO 0.04 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 177.82