#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pff s ASP 2 N 0.00 -0.30 -0.16 7.83 3.84 -1.26 -3.12 116.67 123.50 2pff s ASP 2 Ca 0.00 -0.20 -0.30 0.00 -0.00 0.00 0.00 52.55 52.05 2pff s ASP 2 Cb 0.00 0.38 -0.07 0.00 -1.38 0.00 0.00 42.92 41.85 2pff s ASP 2 CO 0.00 -0.03 2.13 0.00 -0.00 0.00 0.00 175.17 177.28 2pff n ALA 3 N 3.39 1.58 -1.12 2.11 0.00 -1.14 -4.83 120.51 120.50 2pff n ALA 3 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2pff n ALA 3 Cb 0.64 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 17.30 2pff n ALA 3 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2pff n TYR 4 N 10.09 0.00 -0.58 0.00 0.18 -1.26 -3.56 117.16 122.03 2pff n TYR 4 Ca 0.28 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.06 2pff n TYR 4 Cb 0.40 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.36 2pff n TYR 4 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2pff n SER 5 N 0.00 -0.38 0.00 9.48 2.88 -1.26 -4.19 113.62 120.14 2pff n SER 5 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2pff n SER 5 Cb 0.00 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 2pff n SER 5 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2pff n THR 6 N -1.23 0.00 -3.88 2.46 -1.04 -1.26 -4.96 114.28 104.37 2pff n THR 6 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 2pff n THR 6 Cb 0.13 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.50 2pff n THR 6 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2pff s ARG 7 N 0.00 3.40 -0.01 -2.82 1.81 -1.26 -5.11 118.95 114.96 2pff s ARG 7 Ca 0.00 -0.62 -0.16 0.00 -1.72 0.00 0.00 55.73 53.24 2pff s ARG 7 Cb 0.00 -3.06 -0.06 0.00 -0.45 0.00 0.00 34.95 31.38 2pff s ARG 7 CO 0.00 -0.21 0.43 -1.25 -0.68 0.00 0.00 175.30 173.59 2pff s PRO 8 N 1.50 4.00 -0.27 3.54 0.04 -1.26 -4.23 135.00 138.31 2pff s PRO 8 Ca 0.06 0.44 -0.03 0.00 0.04 0.00 0.00 61.00 61.51 2pff s PRO 8 Cb -0.14 -3.25 0.11 0.00 0.04 0.00 0.00 34.50 31.26 2pff s PRO 8 CO -0.02 0.63 0.19 -1.17 0.04 0.00 0.00 177.00 176.66 2pff s LEU 9 N -0.89 0.21 0.27 -3.56 0.20 -1.23 -4.93 118.68 108.75 2pff s LEU 9 Ca 0.24 -0.96 -0.30 0.00 0.69 0.00 0.00 54.13 53.81 2pff s LEU 9 Cb -0.17 0.01 -0.14 0.00 -0.43 0.00 0.00 46.19 45.46 2pff s LEU 9 CO 0.13 -0.41 1.20 0.41 -0.29 0.00 0.00 176.35 177.40 2pff n THR 10 N 5.28 1.54 -3.34 3.68 -1.04 -1.26 -2.88 114.28 116.25 2pff n THR 10 Ca -0.05 -0.38 -0.26 0.00 -2.04 0.00 0.00 64.05 61.32 2pff n THR 10 Cb 0.45 -1.21 -0.08 0.00 -1.82 0.00 0.00 70.33 67.67 2pff n THR 10 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2pff n LEU 11 N 1.50 2.02 0.00 -4.42 4.77 -1.18 -4.85 117.00 114.84 2pff n LEU 11 Ca 0.10 -5.07 0.00 0.00 -0.03 0.00 0.00 56.01 51.01 2pff n LEU 11 Cb 0.31 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2pff n LEU 11 CO 0.61 2.04 0.00 -1.54 -1.33 0.00 0.00 177.39 177.18 2pff n SER 12 N 1.22 0.00 -3.82 -1.43 3.41 -1.26 0.23 113.62 111.96 2pff n SER 12 Ca 0.26 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.42 2pff n SER 12 Cb 0.46 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.29 2pff n SER 12 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2pff n HIS 13 N 0.00 0.76 0.00 7.33 8.25 -1.26 -4.46 115.22 125.84 2pff n HIS 13 Ca 0.00 0.51 0.00 0.00 -0.26 0.00 0.00 57.72 57.97 2pff n HIS 13 Cb 0.00 -2.04 0.00 0.00 1.12 0.00 0.00 29.99 29.07 2pff n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pff n GLY 14 N 6.15 -0.18 2.66 -1.41 0.00 -1.26 -4.84 105.19 106.30 2pff n GLY 14 Ca 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.50 2pff n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2pff n SER 15 N -1.10 -1.30 0.00 1.61 7.64 -1.26 -4.33 113.62 114.88 2pff n SER 15 Ca 0.00 1.32 0.00 0.00 1.01 0.00 0.00 58.87 61.20 2pff n SER 15 Cb 0.09 -4.83 0.00 0.00 -1.01 0.00 0.00 64.21 58.47 2pff n SER 15 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2pff n LEU 16 N 1.84 0.00 0.15 -3.43 4.77 -1.26 -4.04 117.00 115.03 2pff n LEU 16 Ca -0.37 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.66 2pff n LEU 16 Cb 0.58 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.94 2pff n LEU 16 CO 0.35 0.00 0.77 -0.62 -1.33 0.00 0.00 177.39 176.56 2pff n GLU 17 N 0.00 0.07 -0.02 3.23 4.71 -1.26 -2.63 120.64 124.74 2pff n GLU 17 Ca 0.00 0.53 -0.02 0.00 -0.01 0.00 0.00 57.16 57.66 2pff n GLU 17 Cb 0.00 -2.11 -0.01 0.00 -1.01 0.00 0.00 31.44 28.32 2pff n GLU 17 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2pff n HIS 18 N -1.94 0.00 0.00 -0.32 8.25 -1.26 -4.52 115.22 115.43 2pff n HIS 18 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2pff n HIS 18 Cb 0.40 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.40 2pff n HIS 18 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2pff n VAL 19 N -2.96 0.10 -0.12 1.59 0.31 -1.08 -0.14 118.33 116.02 2pff n VAL 19 Ca -0.03 0.30 -0.26 0.00 -0.01 0.00 0.00 64.34 64.34 2pff n VAL 19 Cb 0.11 -1.30 -0.11 0.00 -0.91 0.00 0.00 33.84 31.63 2pff n VAL 19 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2pff n LEU 20 N -0.84 2.13 -0.30 7.52 7.94 -1.12 -4.02 117.00 128.31 2pff n LEU 20 Ca 0.00 0.28 0.05 0.00 -1.11 0.00 0.00 56.01 55.22 2pff n LEU 20 Cb 0.27 -0.88 0.19 0.00 0.53 0.00 0.00 43.42 43.53 2pff n LEU 20 CO 0.00 0.59 0.64 0.18 -1.11 0.00 0.00 177.39 177.69 2pff n LEU 21 N -4.09 0.89 -0.08 -1.96 4.77 0.80 -3.98 117.00 113.34 2pff n LEU 21 Ca -0.48 -0.42 -0.08 0.00 -0.03 0.00 0.00 56.01 55.00 2pff n LEU 21 Cb 0.87 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.84 2pff n LEU 21 CO 0.11 0.21 -0.39 0.52 -1.33 0.00 0.00 177.39 176.52 2pff n VAL 22 N -0.07 1.44 0.23 4.08 0.31 -0.43 -4.16 118.33 119.73 2pff n VAL 22 Ca 0.08 0.17 0.10 0.00 -0.01 0.00 0.00 64.34 64.69 2pff n VAL 22 Cb 0.16 -2.33 0.55 0.00 -0.91 0.00 0.00 33.84 31.30 2pff n VAL 22 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2pff h PRO 23 N -1.00 0.00 0.00 5.55 0.13 -1.70 1.71 132.00 136.69 2pff h PRO 23 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2pff h PRO 23 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2pff h PRO 23 CO -0.04 0.00 0.00 2.41 -0.23 0.00 0.00 178.00 180.14 2pff n THR 24 N -2.40 1.21 -0.02 1.56 -1.04 -1.26 -0.77 114.28 111.55 2pff n THR 24 Ca -0.01 0.37 -0.02 0.00 -2.04 0.00 0.00 64.05 62.35 2pff n THR 24 Cb 0.33 -1.25 -0.05 0.00 -1.82 0.00 0.00 70.33 67.54 2pff n THR 24 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pff n ALA 25 N -1.60 1.93 -0.23 2.41 0.00 0.57 -4.09 120.51 119.50 2pff n ALA 25 Ca 0.02 -0.35 -0.06 0.00 0.00 0.00 0.00 53.44 53.05 2pff n ALA 25 Cb 0.12 0.06 0.04 0.00 0.00 0.00 0.00 19.45 19.68 2pff n ALA 25 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2pff h SER 26 N 0.00 0.81 0.23 0.00 0.87 0.28 0.70 113.55 116.45 2pff h SER 26 Ca -0.13 -0.09 -0.34 0.00 -1.23 0.00 0.00 61.79 60.00 2pff h SER 26 Cb 1.16 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.87 2pff h SER 26 CO 0.01 0.66 -2.01 0.33 -0.53 0.00 0.00 176.83 175.30 2pff n PHE 27 N -4.54 0.80 0.06 2.24 7.35 -0.44 -2.33 117.46 120.60 2pff n PHE 27 Ca 0.05 0.23 0.02 0.00 -0.76 0.00 0.00 57.45 56.99 2pff n PHE 27 Cb 0.08 -1.13 0.37 0.00 0.35 0.00 0.00 39.48 39.15 2pff n PHE 27 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2pff h PHE 28 N 0.02 0.40 0.00 -5.13 0.05 -1.70 0.42 116.94 111.01 2pff h PHE 28 Ca -0.41 -0.03 -0.14 0.00 3.82 0.00 0.00 57.97 61.21 2pff h PHE 28 Cb 2.04 -0.12 -0.02 0.00 2.00 0.00 0.00 35.95 39.86 2pff h PHE 28 CO 0.03 0.42 -0.65 0.97 -0.18 0.00 0.00 178.31 178.90 2pff h ILE 29 N 0.38 1.25 0.00 -0.55 -0.00 0.33 -1.43 117.51 117.50 2pff h ILE 29 Ca 0.09 -2.39 0.00 0.00 -0.00 0.00 0.00 64.86 62.56 2pff h ILE 29 Cb 0.27 2.37 0.00 0.00 -0.00 0.00 0.00 36.82 39.46 2pff h ILE 29 CO 0.01 0.63 0.00 0.00 -0.00 0.00 0.00 178.15 178.79 2pff n ALA 30 N -2.32 1.84 -1.19 0.18 0.00 0.14 -4.77 120.51 114.40 2pff n ALA 30 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 2pff n ALA 30 Cb 0.71 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.05 2pff n ALA 30 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2pff n SER 31 N 0.16 0.50 0.00 0.00 2.88 -0.54 -4.59 113.62 112.03 2pff n SER 31 Ca 0.00 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 2pff n SER 31 Cb 0.12 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 2pff n SER 31 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pff n GLN 32 N 6.94 0.00 0.00 -1.46 6.02 -1.26 0.18 117.38 127.80 2pff n GLN 32 Ca 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.51 2pff n GLN 32 Cb -0.01 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.25 2pff n GLN 32 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2pff n LEU 33 N -2.15 0.64 -0.05 1.08 4.77 -1.26 -2.78 117.00 117.25 2pff n LEU 33 Ca 0.00 -0.32 -0.07 0.00 -0.03 0.00 0.00 56.01 55.60 2pff n LEU 33 Cb 0.00 -0.32 -0.07 0.00 -2.33 0.00 0.00 43.42 40.70 2pff n LEU 33 CO 0.00 0.16 -0.86 0.00 -1.33 0.00 0.00 177.39 175.36 2pff n GLN 34 N -0.03 1.44 0.10 3.23 1.13 0.48 -3.99 117.38 119.74 2pff n GLN 34 Ca 0.00 0.03 -0.18 0.00 -1.94 0.00 0.00 57.00 54.91 2pff n GLN 34 Cb 0.16 -1.25 -0.11 0.00 0.11 0.00 0.00 30.24 29.15 2pff n GLN 34 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2pff h GLU 35 N 0.00 0.42 0.00 -1.09 5.08 -1.69 -1.13 114.58 116.17 2pff h GLU 35 Ca -0.27 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.49 2pff h GLU 35 Cb 1.52 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.97 2pff h GLU 35 CO -0.01 1.25 -0.33 1.04 -1.00 0.00 0.00 179.01 179.96 2pff n GLN 36 N -3.67 0.16 -0.33 2.33 6.02 -1.19 -2.11 117.38 118.59 2pff n GLN 36 Ca -0.10 0.08 0.11 0.00 -0.01 0.00 0.00 57.00 57.08 2pff n GLN 36 Cb 0.97 -1.63 0.29 0.00 1.02 0.00 0.00 30.24 30.89 2pff n GLN 36 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2pff n PHE 37 N -1.88 0.86 0.09 1.08 0.99 -1.18 -3.60 117.46 113.82 2pff n PHE 37 Ca 0.05 -0.46 0.02 0.00 -0.00 0.00 0.00 57.45 57.07 2pff n PHE 37 Cb 0.39 -0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.84 2pff n PHE 37 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2pff n ASN 38 N 1.55 2.43 0.12 4.37 0.23 -0.44 -4.43 115.26 119.09 2pff n ASN 38 Ca 0.23 -0.24 0.12 0.00 -0.53 0.00 0.00 54.58 54.15 2pff n ASN 38 Cb 0.61 1.13 0.12 0.00 -2.08 0.00 0.00 39.78 39.56 2pff n ASN 38 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2pff h LYS 39 N 0.00 0.00 -0.71 -3.83 1.57 -1.49 -3.00 116.57 109.11 2pff h LYS 39 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2pff h LYS 39 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2pff h LYS 39 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 179.45 177.99 2pff n ILE 40 N -2.56 1.68 0.00 1.86 5.41 -1.24 -3.96 119.36 120.56 2pff n ILE 40 Ca 0.02 -0.88 0.00 0.00 1.00 0.00 0.00 62.75 62.89 2pff n ILE 40 Cb 0.50 -0.30 0.00 0.00 -0.71 0.00 0.00 39.64 39.13 2pff n ILE 40 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2pff n LEU 41 N 0.45 0.00 0.28 1.39 4.77 -1.14 -2.09 117.00 120.65 2pff n LEU 41 Ca 0.18 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.33 2pff n LEU 41 Cb 0.82 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.63 2pff n LEU 41 CO 0.20 0.00 1.00 1.55 -1.33 0.00 0.00 177.39 178.82 2pff h PRO 42 N 0.00 0.00 0.00 3.23 0.13 -1.66 -2.69 132.00 131.01 2pff h PRO 42 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2pff h PRO 42 Cb 0.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2pff h PRO 42 CO 0.00 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.16 2pff n GLU 43 N -3.05 0.00 -1.16 0.86 1.02 -1.26 -4.76 120.64 112.29 2pff n GLU 43 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 2pff n GLU 43 Cb 0.28 -0.05 -0.05 0.00 -0.02 0.00 0.00 31.44 31.61 2pff n GLU 43 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2pff n PRO 44 N -2.59 3.18 0.00 3.49 -0.02 -1.25 -4.87 135.00 132.94 2pff n PRO 44 Ca 0.00 -1.89 0.00 0.00 -2.02 0.00 0.00 63.50 59.59 2pff n PRO 44 Cb 0.00 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 30.86 2pff n PRO 44 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2pff n THR 45 N 3.52 0.00 -3.63 3.45 -1.04 -1.01 0.69 114.28 116.26 2pff n THR 45 Ca 0.68 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 62.47 2pff n THR 45 Cb 0.31 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.87 2pff n THR 45 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2pff n GLU 46 N 0.00 -6.01 -0.22 -2.82 4.71 -1.24 -4.88 120.64 110.18 2pff n GLU 46 Ca 0.00 0.72 -0.06 0.00 -0.01 0.00 0.00 57.16 57.81 2pff n GLU 46 Cb 0.00 -5.55 -0.05 0.00 -1.01 0.00 0.00 31.44 24.83 2pff n GLU 46 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2pff n GLY 47 N -1.52 -2.08 0.00 0.62 0.00 0.22 -4.72 105.19 97.70 2pff n GLY 47 Ca -0.20 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.57 2pff n GLY 47 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2pff n PHE 48 N -4.26 -0.04 -0.22 1.61 7.35 -1.26 -5.07 117.46 115.57 2pff n PHE 48 Ca 0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 2pff n PHE 48 Cb 0.13 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.96 2pff n PHE 48 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2pff n ALA 49 N -3.00 -0.93 -0.90 3.13 0.00 -1.26 -4.72 120.51 112.83 2pff n ALA 49 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2pff n ALA 49 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2pff n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pff n ALA 50 N 0.71 -2.15 0.00 0.00 0.00 -1.26 -4.90 120.51 112.92 2pff n ALA 50 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2pff n ALA 50 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2pff n ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pff n ASP 51 N -2.92 0.00 -0.00 0.00 8.00 -1.26 -4.89 116.55 115.47 2pff n ASP 51 Ca 0.01 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.50 2pff n ASP 51 Cb 0.38 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.48 2pff n ASP 51 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2pff n ASP 52 N 0.94 -0.01 -4.88 -2.24 5.75 -1.26 -4.05 116.55 110.80 2pff n ASP 52 Ca 0.00 0.17 -0.35 0.00 -0.01 0.00 0.00 54.79 54.60 2pff n ASP 52 Cb 0.00 -0.08 -0.05 0.00 -1.03 0.00 0.00 41.12 39.96 2pff n ASP 52 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2pff s GLU 53 N -3.14 3.59 0.41 0.11 2.12 -1.26 -4.72 118.70 115.82 2pff s GLU 53 Ca -0.00 -0.04 0.22 0.00 0.36 0.00 0.00 54.97 55.51 2pff s GLU 53 Cb 0.00 -3.09 1.22 0.00 0.26 0.00 0.00 34.13 32.51 2pff s GLU 53 CO 0.01 0.66 1.71 -1.35 -0.54 0.00 0.00 175.26 175.75 2pff h PRO 54 N 4.11 0.27 -0.64 4.30 0.11 -1.99 0.48 132.00 138.64 2pff h PRO 54 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2pff h PRO 54 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2pff h PRO 54 CO 0.65 0.18 0.00 2.41 -0.21 0.00 0.00 178.00 181.03 2pff n THR 55 N -4.68 1.04 0.75 -1.15 -1.04 -1.26 -4.11 114.28 103.82 2pff n THR 55 Ca 0.30 -0.89 0.12 0.00 -2.04 0.00 0.00 64.05 61.54 2pff n THR 55 Cb 1.08 0.34 0.50 0.00 -1.82 0.00 0.00 70.33 70.42 2pff n THR 55 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2pff n THR 56 N 1.27 0.41 -0.08 12.58 -1.04 0.17 -3.27 114.28 124.31 2pff n THR 56 Ca 0.22 -0.03 -0.10 0.00 -2.04 0.00 0.00 64.05 62.10 2pff n THR 56 Cb 0.60 -0.67 -0.03 0.00 -1.82 0.00 0.00 70.33 68.41 2pff n THR 56 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2pff h PRO 57 N 0.00 0.41 0.00 -2.82 0.11 -1.73 0.23 132.00 128.20 2pff h PRO 57 Ca 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2pff h PRO 57 Cb 0.52 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.57 2pff h PRO 57 CO 0.00 0.46 0.78 0.00 -0.21 0.00 0.00 178.00 179.03 2pff h ALA 58 N 0.93 1.76 -3.00 -0.75 0.00 -1.88 -2.35 119.26 113.96 2pff h ALA 58 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2pff h ALA 58 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2pff h ALA 58 CO -0.00 -0.76 0.00 0.39 0.00 0.00 0.00 179.25 178.88 2pff n GLU 59 N -2.52 0.00 -0.34 0.00 -0.58 0.07 -1.56 120.64 115.71 2pff n GLU 59 Ca -0.01 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 56.90 2pff n GLU 59 Cb 0.79 -0.43 0.36 0.00 -0.57 0.00 0.00 31.44 31.60 2pff n GLU 59 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2pff h LEU 60 N 0.00 0.63 0.59 -4.62 4.07 -1.54 0.53 115.31 114.98 2pff h LEU 60 Ca 0.00 0.13 -0.03 0.00 0.08 0.00 0.00 57.88 58.07 2pff h LEU 60 Cb 0.00 0.04 0.01 0.00 1.08 0.00 0.00 40.66 41.78 2pff h LEU 60 CO 0.00 0.11 -0.29 0.58 -1.08 0.00 0.00 178.44 177.76 2pff h VAL 61 N 0.57 0.35 0.00 1.22 2.07 -1.61 2.54 116.25 121.40 2pff h VAL 61 Ca 0.62 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.93 2pff h VAL 61 Cb 1.15 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2pff h VAL 61 CO -0.47 0.03 0.00 0.61 0.02 0.00 0.00 177.57 177.76 2pff n GLY 62 N -1.02 0.58 1.02 2.17 0.00 -0.16 -1.80 105.19 105.99 2pff n GLY 62 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2pff n GLY 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2pff n LYS 63 N 0.03 0.00 -0.35 1.61 4.81 0.17 -4.16 118.16 120.27 2pff n LYS 63 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.54 2pff n LYS 63 Cb 0.12 0.00 0.21 0.00 0.02 0.00 0.00 35.03 35.38 2pff n LYS 63 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 2pff h PHE 64 N 0.00 -0.32 -0.36 5.64 3.57 0.43 2.55 116.94 128.45 2pff h PHE 64 Ca 0.00 0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 2pff h PHE 64 Cb 0.00 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2pff h PHE 64 CO 0.00 -0.44 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.46 2pff h LEU 65 N 0.00 0.73 0.00 0.59 3.38 -1.46 -0.85 115.31 117.70 2pff h LEU 65 Ca 0.54 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2pff h LEU 65 Cb 0.97 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2pff h LEU 65 CO -0.99 0.94 0.00 0.61 0.09 0.00 0.00 178.44 179.09 2pff n GLY 66 N -0.14 -0.25 1.26 0.83 0.00 0.83 -1.71 105.19 106.02 2pff n GLY 66 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2pff n GLY 66 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2pff n TYR 67 N -0.74 -0.53 0.33 1.61 9.36 0.58 -4.35 117.16 123.42 2pff n TYR 67 Ca 0.03 0.09 0.01 0.00 3.32 0.00 0.00 57.90 61.35 2pff n TYR 67 Cb 0.01 0.14 0.06 0.00 -0.63 0.00 0.00 39.34 38.92 2pff n TYR 67 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2pff n VAL 68 N -3.37 0.00 0.00 2.97 0.31 -0.39 -3.95 118.33 113.90 2pff n VAL 68 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2pff n VAL 68 Cb 0.00 -0.62 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 2pff n VAL 68 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2pff n SER 69 N -0.70 0.00 -0.13 4.52 3.41 -0.69 -4.63 113.62 115.40 2pff n SER 69 Ca 0.02 0.00 0.26 0.00 -0.26 0.00 0.00 58.87 58.89 2pff n SER 69 Cb 0.01 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 64.67 2pff n SER 69 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2pff h SER 70 N 0.00 0.00 -1.36 4.04 4.64 -1.34 -3.45 113.55 116.07 2pff h SER 70 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 2pff h SER 70 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 2pff h SER 70 CO 0.00 0.00 -0.34 0.18 -0.87 0.00 0.00 176.83 175.80 2pff n LEU 71 N -4.29 -1.31 0.00 5.97 4.77 -1.25 -4.11 117.00 116.77 2pff n LEU 71 Ca 0.16 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 2pff n LEU 71 Cb 0.87 -2.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.46 2pff n LEU 71 CO 0.38 -0.85 0.00 1.33 -1.33 0.00 0.00 177.39 176.92 2pff n VAL 72 N -2.31 0.00 0.13 4.08 0.24 -1.26 -5.02 118.33 114.19 2pff n VAL 72 Ca -0.18 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.17 2pff n VAL 72 Cb 0.58 0.00 0.50 0.00 -1.47 0.00 0.00 33.84 33.45 2pff n VAL 72 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2pff h GLU 73 N 0.00 0.26 -4.60 7.34 4.39 -1.93 -3.29 114.58 116.75 2pff h GLU 73 Ca 0.00 -0.03 -0.63 0.00 0.34 0.00 0.00 59.36 59.05 2pff h GLU 73 Cb 0.00 -0.05 0.08 0.00 -0.10 0.00 0.00 28.75 28.67 2pff h GLU 73 CO 0.00 0.23 2.05 -2.30 -1.16 0.00 0.00 179.01 177.82 2pff n PRO 74 N -4.45 1.09 0.00 2.33 -0.02 -1.26 -4.76 135.00 127.93 2pff n PRO 74 Ca -0.00 -1.60 0.00 0.00 -2.02 0.00 0.00 63.50 59.88 2pff n PRO 74 Cb 0.12 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 30.81 2pff n PRO 74 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2pff n SER 75 N 7.82 0.00 -1.23 2.55 3.41 -1.24 -4.68 113.62 120.26 2pff n SER 75 Ca 0.49 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 59.06 2pff n SER 75 Cb 0.40 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.37 2pff n SER 75 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2pff n LYS 76 N 0.14 1.17 -0.84 4.33 4.81 -1.26 -4.92 118.16 121.60 2pff n LYS 76 Ca 0.00 -0.40 0.10 0.00 -0.87 0.00 0.00 58.31 57.14 2pff n LYS 76 Cb 0.00 -1.16 -0.05 0.00 0.02 0.00 0.00 35.03 33.84 2pff n LYS 76 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2pff n VAL 77 N 0.43 -0.46 -0.17 3.15 0.31 -1.26 -4.31 118.33 116.02 2pff n VAL 77 Ca 0.08 0.51 0.16 0.00 -0.01 0.00 0.00 64.34 65.08 2pff n VAL 77 Cb 0.63 -0.79 0.28 0.00 -0.91 0.00 0.00 33.84 33.05 2pff n VAL 77 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pff n GLY 78 N -3.40 -0.36 0.00 2.92 0.00 -1.26 -2.17 105.19 100.92 2pff n GLY 78 Ca -0.05 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2pff n GLY 78 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pff n GLN 79 N -3.94 0.00 -3.07 1.61 1.13 -1.26 -2.08 117.38 109.77 2pff n GLN 79 Ca 0.18 0.24 -0.24 0.00 -1.94 0.00 0.00 57.00 55.24 2pff n GLN 79 Cb 0.63 -0.39 -0.04 0.00 0.11 0.00 0.00 30.24 30.56 2pff n GLN 79 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2pff n PHE 80 N -1.63 2.54 -1.68 1.08 3.01 -0.92 -4.26 117.46 115.60 2pff n PHE 80 Ca 0.00 -3.93 0.00 0.00 1.01 0.00 0.00 57.45 54.53 2pff n PHE 80 Cb 0.00 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.00 2pff n PHE 80 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2pff n ASP 81 N 0.07 0.00 0.00 4.37 2.03 -0.88 -1.17 116.55 120.96 2pff n ASP 81 Ca 0.28 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.59 2pff n ASP 81 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 2pff n ASP 81 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2pff n GLN 82 N 0.00 0.00 0.05 -0.67 0.00 -1.16 -4.70 117.38 110.91 2pff n GLN 82 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 57.00 57.18 2pff n GLN 82 Cb 0.38 -0.13 0.69 0.00 0.00 0.00 0.00 30.24 31.17 2pff n GLN 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2pff h VAL 83 N 0.00 0.77 0.00 1.69 2.07 -1.72 1.04 116.25 120.10 2pff h VAL 83 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 2pff h VAL 83 Cb 0.00 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2pff h VAL 83 CO 0.00 0.00 -0.61 0.25 0.02 0.00 0.00 177.57 177.23 2pff h LEU 84 N 0.00 0.00 0.00 2.57 5.85 -1.84 -3.29 115.31 118.60 2pff h LEU 84 Ca 0.20 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.72 2pff h LEU 84 Cb 0.82 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 2pff h LEU 84 CO -0.00 0.61 -1.17 0.78 -0.34 0.00 0.00 178.44 178.33 2pff h ASN 85 N 0.00 0.00 -0.81 1.25 2.35 0.76 -2.25 115.58 116.88 2pff h ASN 85 Ca -0.01 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.83 2pff h ASN 85 Cb 1.27 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.58 2pff h ASN 85 CO 0.08 0.82 0.53 0.25 -1.65 0.00 0.00 177.43 177.46 2pff h LEU 86 N 0.00 0.72 0.16 1.61 5.85 -1.13 -2.86 115.31 119.66 2pff h LEU 86 Ca -0.11 0.01 -0.33 0.00 0.84 0.00 0.00 57.88 58.30 2pff h LEU 86 Cb 1.72 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 42.62 2pff h LEU 86 CO 0.09 0.44 -1.65 0.00 -0.34 0.00 0.00 178.44 176.98 2pff h LEU 88 N -0.02 -1.81 -0.75 0.00 4.07 -1.16 1.15 115.31 116.79 2pff h LEU 88 Ca -0.33 0.27 -0.08 0.00 0.08 0.00 0.00 57.88 57.82 2pff h LEU 88 Cb 1.99 0.79 -0.02 0.00 1.08 0.00 0.00 40.66 44.50 2pff h LEU 88 CO 0.14 -0.22 0.06 0.74 -1.08 0.00 0.00 178.44 178.07 2pff h THR 89 N -0.06 1.26 -1.17 0.22 2.02 -1.75 -0.83 112.91 112.59 2pff h THR 89 Ca 0.12 -1.05 0.33 0.00 0.77 0.00 0.00 66.41 66.58 2pff h THR 89 Cb 0.38 0.73 -0.08 0.00 -1.74 0.00 0.00 68.15 67.44 2pff h THR 89 CO -0.75 0.39 0.80 -0.08 0.37 0.00 0.00 175.52 176.24 2pff h GLU 90 N 0.94 0.17 0.21 6.66 4.57 0.31 0.62 114.58 128.06 2pff h GLU 90 Ca 0.18 -0.01 -0.29 0.00 -1.18 0.00 0.00 59.36 58.07 2pff h GLU 90 Cb 0.47 -0.04 0.03 0.00 -0.16 0.00 0.00 28.75 29.05 2pff h GLU 90 CO 0.02 0.11 -1.24 0.35 -1.18 0.00 0.00 179.01 177.06 2pff h PHE 91 N 0.17 0.85 0.00 0.92 3.57 0.24 -3.24 116.94 119.46 2pff h PHE 91 Ca 0.62 -0.61 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2pff h PHE 91 Cb 2.05 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.75 2pff h PHE 91 CO -0.00 1.47 0.00 -1.91 -2.23 0.00 0.00 178.31 175.64 2pff n GLU 92 N -3.86 0.10 -2.70 1.11 2.13 0.21 -2.24 120.64 115.39 2pff n GLU 92 Ca -0.16 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.55 2pff n GLU 92 Cb 1.00 -1.03 0.02 0.00 0.27 0.00 0.00 31.44 31.70 2pff n GLU 92 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2pff n ASN 93 N -0.53 1.60 0.11 4.31 3.02 -1.01 -3.37 115.26 119.39 2pff n ASN 93 Ca 0.00 -2.81 0.00 0.00 -0.03 0.00 0.00 54.58 51.75 2pff n ASN 93 Cb 0.00 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 2pff n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pff n TYR 95 N -3.44 -0.05 0.00 0.00 9.36 -1.26 -4.94 117.16 116.83 2pff n TYR 95 Ca 0.00 -0.65 0.00 0.00 3.32 0.00 0.00 57.90 60.57 2pff n TYR 95 Cb 0.01 0.25 0.00 0.00 -0.63 0.00 0.00 39.34 38.97 2pff n TYR 95 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 2pff n LEU 96 N 0.10 0.35 -3.65 2.98 -0.00 -1.26 -4.84 117.00 110.67 2pff n LEU 96 Ca -0.11 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.65 2pff n LEU 96 Cb 0.90 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.34 2pff n LEU 96 CO -0.09 -0.14 -0.07 -0.62 -0.00 0.00 0.00 177.39 176.47 2pff n GLU 97 N -2.55 -1.24 0.00 1.47 1.02 -1.22 -3.73 120.64 114.40 2pff n GLU 97 Ca 0.00 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 2pff n GLU 97 Cb 0.24 -3.50 0.00 0.00 -0.02 0.00 0.00 31.44 28.15 2pff n GLU 97 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pff n GLY 98 N -1.74 3.64 4.76 0.62 0.00 -1.26 -4.73 105.19 106.49 2pff n GLY 98 Ca -0.17 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2pff n GLY 98 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pff n ASN 99 N 7.09 0.00 0.00 1.61 4.05 -1.24 -4.50 115.26 122.27 2pff n ASN 99 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2pff n ASN 99 Cb 0.00 -0.35 0.00 0.00 1.23 0.00 0.00 39.78 40.66 2pff n ASN 99 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2pff n ASP 100 N 0.00 -1.14 -0.18 1.20 -0.08 -1.26 -4.43 116.55 110.67 2pff n ASP 100 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 2pff n ASP 100 Cb 0.00 0.70 0.08 0.00 2.34 0.00 0.00 41.12 44.24 2pff n ASP 100 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2pff h ILE 101 N 0.00 0.72 -1.05 5.18 1.08 -1.95 0.11 117.51 121.60 2pff h ILE 101 Ca 0.00 -0.10 0.30 0.00 -0.39 0.00 0.00 64.86 64.68 2pff h ILE 101 Cb 0.00 0.42 -0.04 0.00 -3.07 0.00 0.00 36.82 34.12 2pff h ILE 101 CO 0.00 0.05 0.91 0.45 -0.69 0.00 0.00 178.15 178.87 2pff h HIS 102 N 0.28 0.00 0.06 1.37 3.86 -1.95 0.84 115.15 119.60 2pff h HIS 102 Ca 0.27 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 59.20 2pff h HIS 102 Cb 0.37 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.81 2pff h HIS 102 CO -0.22 0.00 -1.52 0.00 0.86 0.00 0.00 177.93 177.05 2pff h ALA 103 N 1.16 0.47 0.00 2.45 0.00 -1.00 -3.15 119.26 119.19 2pff h ALA 103 Ca 0.50 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2pff h ALA 103 Cb 2.31 0.29 0.00 0.00 0.00 0.00 0.00 17.79 20.40 2pff h ALA 103 CO -0.01 1.33 0.00 -0.11 0.00 0.00 0.00 179.25 180.46 2pff n LEU 104 N -3.30 0.00 -0.03 0.00 7.94 0.28 -1.77 117.00 120.12 2pff n LEU 104 Ca -0.14 0.41 -0.14 0.00 -1.11 0.00 0.00 56.01 55.03 2pff n LEU 104 Cb 1.03 -0.41 -0.02 0.00 0.53 0.00 0.00 43.42 44.55 2pff n LEU 104 CO 0.47 -0.20 0.40 0.00 -1.11 0.00 0.00 177.39 176.96 2pff h ALA 105 N 2.61 0.50 -0.72 1.96 0.00 -1.16 -2.63 119.26 119.82 2pff h ALA 105 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.37 2pff h ALA 105 Cb 0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2pff h ALA 105 CO 0.00 0.69 0.47 0.00 0.00 0.00 0.00 179.25 180.41 2pff h ALA 106 N 0.75 1.47 0.00 0.00 0.00 -1.49 -1.95 119.26 118.05 2pff h ALA 106 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2pff h ALA 106 Cb 1.21 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2pff h ALA 106 CO 0.13 0.48 0.00 1.63 0.00 0.00 0.00 179.25 181.49 2pff n LYS 107 N -4.42 0.45 0.00 0.00 5.02 -0.99 -2.69 118.16 115.53 2pff n LYS 107 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2pff n LYS 107 Cb 0.04 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 2pff n LYS 107 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2pff n LEU 108 N 0.59 0.00 -0.11 -0.35 4.77 -0.76 -4.46 117.00 116.68 2pff n LEU 108 Ca 0.00 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.14 2pff n LEU 108 Cb 0.18 0.04 0.56 0.00 -2.33 0.00 0.00 43.42 41.87 2pff n LEU 108 CO 0.00 -0.44 1.20 0.25 -1.33 0.00 0.00 177.39 177.07 2pff h LEU 109 N 0.00 0.28 0.00 2.23 6.46 -1.27 -3.20 115.31 119.81 2pff h LEU 109 Ca 0.00 0.01 -0.29 0.00 -0.12 0.00 0.00 57.88 57.48 2pff h LEU 109 Cb 0.00 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 39.84 2pff h LEU 109 CO 0.00 0.15 -2.06 0.00 -0.62 0.00 0.00 178.44 175.91 2pff n GLN 110 N -4.45 0.45 0.00 1.25 6.02 -1.15 -4.57 117.38 114.93 2pff n GLN 110 Ca 0.13 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 2pff n GLN 110 Cb 0.54 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.47 2pff n GLN 110 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2pff n GLU 111 N -3.25 0.00 0.00 -1.09 1.02 -1.21 -4.96 120.64 111.15 2pff n GLU 111 Ca -0.34 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.80 2pff n GLU 111 Cb 0.83 -0.59 0.00 0.00 -0.02 0.00 0.00 31.44 31.65 2pff n GLU 111 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2pff n ASN 112 N -0.34 0.00 -4.27 1.62 2.85 -1.22 -4.90 115.26 109.00 2pff n ASN 112 Ca 0.00 0.00 -0.59 0.00 -0.11 0.00 0.00 54.58 53.88 2pff n ASN 112 Cb 0.00 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 40.90 2pff n ASN 112 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2pff n ASP 113 N 0.00 0.88 -4.29 1.20 5.75 -1.26 -4.76 116.55 114.07 2pff n ASP 113 Ca 0.00 0.65 -0.35 0.00 -0.01 0.00 0.00 54.79 55.08 2pff n ASP 113 Cb 0.00 -0.94 -0.05 0.00 -1.03 0.00 0.00 41.12 39.11 2pff n ASP 113 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2pff n THR 114 N 6.58 2.30 -5.11 2.12 -1.04 -1.26 -4.58 114.28 113.29 2pff n THR 114 Ca 0.54 -2.29 -0.29 0.00 -2.04 0.00 0.00 64.05 59.97 2pff n THR 114 Cb -0.01 -2.26 -0.16 0.00 -1.82 0.00 0.00 70.33 66.08 2pff n THR 114 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2pff s THR 115 N 8.02 1.91 -0.16 12.58 -4.23 -1.26 -5.05 115.64 127.43 2pff s THR 115 Ca 0.62 -1.09 -0.13 0.00 -1.18 0.00 0.00 61.69 59.91 2pff s THR 115 Cb 0.05 -1.59 -0.08 0.00 1.34 0.00 0.00 72.50 72.22 2pff s THR 115 CO 0.11 0.48 -0.09 -0.11 -0.54 0.00 0.00 174.62 174.48 2pff n LEU 116 N 2.34 1.83 0.29 4.79 7.94 -1.26 -3.96 117.00 128.96 2pff n LEU 116 Ca -0.16 0.56 0.14 0.00 -1.11 0.00 0.00 56.01 55.43 2pff n LEU 116 Cb 0.52 -0.89 0.84 0.00 0.53 0.00 0.00 43.42 44.42 2pff n LEU 116 CO 0.23 -0.24 1.08 0.58 -1.11 0.00 0.00 177.39 177.94 2pff h VAL 117 N -1.00 0.59 0.00 1.96 2.07 -1.99 0.50 116.25 118.39 2pff h VAL 117 Ca -0.11 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2pff h VAL 117 Cb 0.78 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2pff h VAL 117 CO -0.07 0.03 0.00 0.29 0.02 0.00 0.00 177.57 177.84 2pff n LYS 118 N -3.87 0.20 -0.12 1.57 4.76 -1.26 -2.53 118.16 116.91 2pff n LYS 118 Ca -0.03 0.17 -0.14 0.00 -2.87 0.00 0.00 58.31 55.44 2pff n LYS 118 Cb 0.12 -1.74 -0.13 0.00 -1.84 0.00 0.00 35.03 31.44 2pff n LYS 118 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2pff n THR 119 N -2.09 1.42 -0.09 -0.18 -1.04 -0.31 -3.65 114.28 108.35 2pff n THR 119 Ca 0.06 -0.68 -0.10 0.00 -2.04 0.00 0.00 64.05 61.29 2pff n THR 119 Cb 0.40 -1.00 -0.02 0.00 -1.82 0.00 0.00 70.33 67.89 2pff n THR 119 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2pff h LYS 120 N 0.00 0.42 0.02 -2.82 1.57 -1.00 -2.06 116.57 112.71 2pff h LYS 120 Ca -0.56 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.19 2pff h LYS 120 Cb 2.03 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 34.24 2pff h LYS 120 CO -0.04 0.38 -0.12 1.49 -0.57 0.00 0.00 179.45 180.59 2pff h GLU 121 N 0.36 -0.20 -0.95 3.15 4.81 -1.70 -2.33 114.58 117.71 2pff h GLU 121 Ca 0.10 0.01 0.24 0.00 -0.13 0.00 0.00 59.36 59.59 2pff h GLU 121 Cb 0.08 0.05 -0.18 0.00 0.63 0.00 0.00 28.75 29.33 2pff h GLU 121 CO -0.02 -0.13 -0.03 1.25 -0.73 0.00 0.00 179.01 179.35 2pff h LEU 122 N -0.21 -0.54 0.73 1.64 6.46 -1.52 0.07 115.31 121.94 2pff h LEU 122 Ca 0.04 0.27 -0.04 0.00 -0.12 0.00 0.00 57.88 58.03 2pff h LEU 122 Cb 0.25 0.49 0.01 0.00 -0.73 0.00 0.00 40.66 40.68 2pff h LEU 122 CO -0.10 -0.32 -0.35 0.40 -0.62 0.00 0.00 178.44 177.45 2pff h ILE 123 N 0.02 0.00 -0.98 4.05 2.04 -0.85 -2.73 117.51 119.06 2pff h ILE 123 Ca 0.54 -0.04 0.33 0.00 1.00 0.00 0.00 64.86 66.70 2pff h ILE 123 Cb 1.04 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.96 2pff h ILE 123 CO -0.90 0.00 0.45 0.50 0.00 0.00 0.00 178.15 178.20 2pff h LYS 124 N -1.02 0.17 0.17 2.37 3.64 -0.86 0.32 116.57 121.36 2pff h LYS 124 Ca -0.10 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2pff h LYS 124 Cb 0.75 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.49 2pff h LYS 124 CO 0.17 0.11 -0.51 -0.91 -2.27 0.00 0.00 179.45 176.04 2pff h ASN 125 N 0.17 -1.51 0.00 4.20 4.21 -0.77 -2.18 115.58 119.69 2pff h ASN 125 Ca 0.73 0.16 0.00 0.00 1.21 0.00 0.00 56.30 58.39 2pff h ASN 125 Cb 1.71 0.55 0.00 0.00 -1.12 0.00 0.00 38.32 39.46 2pff h ASN 125 CO -0.70 -0.57 0.00 0.00 -1.29 0.00 0.00 177.43 174.88 2pff n TYR 126 N -5.50 0.00 -0.07 1.19 9.36 0.11 -1.30 117.16 120.96 2pff n TYR 126 Ca -0.09 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.14 2pff n TYR 126 Cb 0.42 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 39.15 2pff n TYR 126 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 2pff n ILE 127 N 0.00 -0.08 0.10 2.97 5.41 -0.91 0.13 119.36 126.98 2pff n ILE 127 Ca 0.00 0.42 -0.13 0.00 1.00 0.00 0.00 62.75 64.04 2pff n ILE 127 Cb 0.00 -0.58 -0.08 0.00 -0.71 0.00 0.00 39.64 38.27 2pff n ILE 127 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 2pff h THR 128 N 0.00 0.87 -0.72 1.39 2.02 -1.47 -1.82 112.91 113.18 2pff h THR 128 Ca 0.09 -0.75 0.14 0.00 0.77 0.00 0.00 66.41 66.66 2pff h THR 128 Cb 0.13 1.29 -0.09 0.00 -1.74 0.00 0.00 68.15 67.74 2pff h THR 128 CO -0.19 0.16 0.25 0.00 0.37 0.00 0.00 175.52 176.11 2pff h ALA 129 N -0.01 0.97 0.13 6.16 0.00 0.24 0.13 119.26 126.88 2pff h ALA 129 Ca -0.03 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2pff h ALA 129 Cb 0.48 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2pff h ALA 129 CO 0.05 -0.24 -0.17 -0.09 0.00 0.00 0.00 179.25 178.79 2pff h ARG 130 N 0.39 -0.31 0.00 0.00 2.43 -0.83 -1.72 114.38 114.34 2pff h ARG 130 Ca 0.39 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 2pff h ARG 130 Cb 0.60 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2pff h ARG 130 CO -0.41 -0.20 0.00 1.51 -1.51 0.00 0.00 179.97 179.35 2pff n ILE 131 N -3.39 1.29 -2.80 1.20 3.06 -0.69 -4.08 119.36 113.94 2pff n ILE 131 Ca -0.04 0.32 -0.43 0.00 -2.50 0.00 0.00 62.75 60.11 2pff n ILE 131 Cb 0.15 -1.24 -0.03 0.00 0.54 0.00 0.00 39.64 39.06 2pff n ILE 131 CO 0.00 0.00 0.00 -0.04 -2.50 0.00 0.00 176.55 174.01 2pff s MET 132 N -2.77 3.36 0.00 9.51 -1.94 0.42 -4.70 119.30 123.19 2pff s MET 132 Ca 0.04 -1.13 0.00 0.00 -1.71 0.00 0.00 55.69 52.88 2pff s MET 132 Cb 0.03 -4.64 0.00 0.00 2.01 0.00 0.00 34.83 32.23 2pff s MET 132 CO 0.08 -1.90 0.00 0.00 -0.01 0.00 0.00 175.02 173.19 2pff n ALA 133 N 7.68 0.00 -3.49 3.03 0.00 -1.26 -4.92 120.51 121.55 2pff n ALA 133 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.32 2pff n ALA 133 Cb 0.48 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.96 2pff n ALA 133 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pff n LYS 134 N 0.00 0.71 -1.32 0.00 5.02 -1.26 -4.70 118.16 116.62 2pff n LYS 134 Ca 0.00 -2.96 -0.11 0.00 -2.02 0.00 0.00 58.31 53.22 2pff n LYS 134 Cb 0.00 0.09 -0.05 0.00 -0.02 0.00 0.00 35.03 35.05 2pff n LYS 134 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2pff n ARG 135 N -1.87 -1.08 -1.07 1.97 5.12 -1.26 -4.29 116.66 114.18 2pff n ARG 135 Ca 0.05 0.85 -0.36 0.00 -1.93 0.00 0.00 57.85 56.46 2pff n ARG 135 Cb 0.55 -4.93 -0.02 0.00 -1.16 0.00 0.00 32.46 26.90 2pff n ARG 135 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 2pff n PRO 136 N -2.03 0.00 -0.26 5.56 -0.02 -1.26 -4.65 135.00 132.34 2pff n PRO 136 Ca -0.11 0.00 0.21 0.00 -2.02 0.00 0.00 63.50 61.58 2pff n PRO 136 Cb 0.44 -0.77 0.33 0.00 -0.02 0.00 0.00 33.50 33.47 2pff n PRO 136 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2pff n PHE 137 N -0.14 0.00 -2.52 6.00 1.16 -1.26 -4.58 117.46 116.12 2pff n PHE 137 Ca 0.13 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.29 2pff n PHE 137 Cb 0.21 -0.20 -0.03 0.00 -1.61 0.00 0.00 39.48 37.86 2pff n PHE 137 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2pff s ASP 138 N -3.71 7.14 0.00 5.98 -1.08 -1.26 -4.55 116.67 119.18 2pff s ASP 138 Ca -0.02 1.81 0.00 0.00 -0.52 0.00 0.00 52.55 53.82 2pff s ASP 138 Cb 0.11 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 2pff s ASP 138 CO 0.35 -0.48 0.00 1.17 0.52 0.00 0.00 175.17 176.73 2pff n LYS 139 N 4.60 0.00 0.00 4.34 3.00 -1.26 -5.06 118.16 123.77 2pff n LYS 139 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 2pff n LYS 139 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.50 2pff n LYS 139 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2pff n LYS 140 N 0.00 0.00 -1.54 1.64 5.02 -1.25 -4.90 118.16 117.12 2pff n LYS 140 Ca 0.00 0.00 -0.49 0.00 -2.02 0.00 0.00 58.31 55.80 2pff n LYS 140 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 2pff n LYS 140 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2pff n SER 141 N 1.02 0.71 -4.46 4.39 3.41 -1.26 -4.61 113.62 112.81 2pff n SER 141 Ca 0.00 1.15 -0.22 0.00 -0.26 0.00 0.00 58.87 59.53 2pff n SER 141 Cb 0.00 -1.15 -0.11 0.00 -0.26 0.00 0.00 64.21 62.70 2pff n SER 141 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2pff s ASN 142 N -0.28 2.75 0.00 4.04 0.01 -1.26 -4.96 114.94 115.23 2pff s ASN 142 Ca 0.71 -1.30 0.00 0.00 -0.71 0.00 0.00 52.86 51.56 2pff s ASN 142 Cb -0.89 -0.16 0.00 0.00 0.41 0.00 0.00 41.25 40.61 2pff s ASN 142 CO 0.55 -0.48 0.00 -1.20 -1.51 0.00 0.00 177.10 174.46 2pff n SER 143 N -0.68 0.00 0.00 -1.22 7.64 -1.26 -5.04 113.62 113.06 2pff n SER 143 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2pff n SER 143 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 2pff n SER 143 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pff n ALA 144 N -3.00 0.00 -0.69 -0.43 0.00 -1.18 -4.81 120.51 110.40 2pff n ALA 144 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pff n ALA 144 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2pff n ALA 144 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2pff n LEU 145 N 0.00 0.00 0.00 0.00 7.94 -1.26 -3.89 117.00 119.79 2pff n LEU 145 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2pff n LEU 145 Cb 0.00 -0.48 0.00 0.00 0.53 0.00 0.00 43.42 43.47 2pff n LEU 145 CO 0.00 0.00 0.00 0.33 -1.11 0.00 0.00 177.39 176.61 2pff n PHE 146 N -0.69 0.00 0.18 1.96 7.35 -1.26 -4.84 117.46 120.17 2pff n PHE 146 Ca 0.00 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.54 2pff n PHE 146 Cb 0.00 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.76 2pff n PHE 146 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2pff h ARG 147 N 0.00 -0.68 0.00 -4.13 3.08 -1.88 -3.26 114.38 107.51 2pff h ARG 147 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2pff h ARG 147 Cb 0.00 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2pff h ARG 147 CO 0.00 -0.45 0.00 0.00 -1.07 0.00 0.00 179.97 178.45 2pff n ALA 148 N -2.73 0.00 -1.95 0.04 0.00 -1.26 -0.58 120.51 114.02 2pff n ALA 148 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.11 2pff n ALA 148 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 2pff n ALA 148 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pff s VAL 149 N -0.13 3.40 0.00 0.00 1.01 -1.23 0.60 120.40 124.05 2pff s VAL 149 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2pff s VAL 149 Cb 0.00 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2pff s VAL 149 CO 0.00 -0.76 0.00 0.61 0.00 0.00 0.00 175.10 174.95 2pff n GLY 150 N 6.16 0.17 0.29 4.51 0.00 0.25 -4.84 105.19 111.75 2pff n GLY 150 Ca 0.43 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.50 2pff n GLY 150 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pff n GLU 151 N 0.00 1.22 -0.87 1.61 1.02 0.20 -4.99 120.64 118.84 2pff n GLU 151 Ca 0.00 -0.82 0.00 0.00 -0.02 0.00 0.00 57.16 56.32 2pff n GLU 151 Cb 0.00 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 2pff n GLU 151 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pff n GLY 152 N 0.69 0.84 0.22 0.62 0.00 -0.77 -4.90 105.19 101.88 2pff n GLY 152 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 2pff n GLY 152 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2pff h ASN 153 N 0.00 0.00 -3.46 1.61 2.35 -1.90 -3.47 115.58 110.70 2pff h ASN 153 Ca 0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 2pff h ASN 153 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2pff h ASN 153 CO 0.00 0.18 0.02 0.00 -1.65 0.00 0.00 177.43 175.98 2pff n ALA 154 N -2.18 -0.84 -3.47 -0.83 0.00 -1.25 -4.95 120.51 106.99 2pff n ALA 154 Ca 0.01 -1.40 -0.13 0.00 0.00 0.00 0.00 53.44 51.92 2pff n ALA 154 Cb 0.47 1.12 -0.14 0.00 0.00 0.00 0.00 19.45 20.90 2pff n ALA 154 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2pff s GLN 155 N -2.49 0.07 0.07 0.00 -0.21 -1.26 -3.90 119.66 111.94 2pff s GLN 155 Ca 0.22 0.25 0.03 0.00 0.02 0.00 0.00 55.36 55.89 2pff s GLN 155 Cb -0.02 -0.11 -0.04 0.00 1.00 0.00 0.00 33.01 33.84 2pff s GLN 155 CO 0.16 -0.11 0.04 -1.17 -2.12 0.00 0.00 175.29 172.09 2pff s LEU 156 N 0.75 3.64 0.09 2.90 2.96 -1.26 -2.22 118.68 125.53 2pff s LEU 156 Ca -0.06 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.81 2pff s LEU 156 Cb -0.08 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 2pff s LEU 156 CO -0.03 0.19 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.42 2pff s VAL 157 N -1.31 0.81 0.09 1.68 1.01 -1.20 -3.15 120.40 118.33 2pff s VAL 157 Ca 0.26 -1.69 0.06 0.00 0.00 0.00 0.00 61.98 60.62 2pff s VAL 157 Cb -0.12 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 2pff s VAL 157 CO 0.19 -0.66 -0.16 0.00 0.00 0.00 0.00 175.10 174.47 2pff s ALA 158 N -2.77 1.44 0.07 5.51 0.00 -1.26 0.80 121.76 125.56 2pff s ALA 158 Ca 0.06 -1.15 -0.18 0.00 0.00 0.00 0.00 51.96 50.70 2pff s ALA 158 Cb -0.01 -0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.01 2pff s ALA 158 CO -0.02 0.21 0.41 0.42 0.00 0.00 0.00 175.76 176.79 2pff s ILE 159 N -1.45 0.06 -0.05 0.00 1.01 -0.60 0.42 121.20 120.59 2pff s ILE 159 Ca 0.03 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.18 2pff s ILE 159 Cb -0.09 -1.03 0.03 0.00 0.01 0.00 0.00 42.46 41.38 2pff s ILE 159 CO 0.03 -0.27 0.10 -0.36 0.00 0.00 0.00 174.94 174.44 2pff s PHE 160 N -2.98 -0.08 0.00 3.97 0.40 -1.22 -2.63 117.98 115.44 2pff s PHE 160 Ca -0.02 0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.64 2pff s PHE 160 Cb 0.00 -0.15 0.00 0.00 0.51 0.00 0.00 43.02 43.39 2pff s PHE 160 CO -0.06 -0.13 0.00 0.41 0.70 0.00 0.00 175.22 176.14 2pff n GLY 161 N 4.16 1.48 3.61 4.36 0.00 -1.26 0.18 105.19 117.72 2pff n GLY 161 Ca -0.27 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.61 2pff n GLY 161 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pff s GLY 162 N -1.99 -0.16 -1.45 -0.02 0.00 -1.25 -3.50 107.32 98.94 2pff s GLY 162 Ca 0.00 2.45 0.00 0.00 0.00 0.00 0.00 44.72 47.17 2pff s GLY 162 CO 0.00 1.46 0.00 -1.06 0.00 0.00 0.00 173.10 173.50 2pff n GLN 163 N 1.45 -1.47 -0.82 2.90 1.13 -1.26 -4.84 117.38 114.47 2pff n GLN 163 Ca -0.11 0.81 -0.35 0.00 -1.94 0.00 0.00 57.00 55.41 2pff n GLN 163 Cb 0.57 -5.14 0.11 0.00 0.11 0.00 0.00 30.24 25.88 2pff n GLN 163 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pff n GLY 164 N -0.38 -2.81 3.30 1.08 0.00 -1.26 -4.56 105.19 100.56 2pff n GLY 164 Ca -0.15 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 2pff n GLY 164 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pff n ASN 165 N 0.41 1.35 -3.69 1.61 3.02 -1.14 -4.73 115.26 112.10 2pff n ASN 165 Ca 0.01 -2.46 -0.10 0.00 -0.03 0.00 0.00 54.58 52.00 2pff n ASN 165 Cb 0.64 -0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 39.05 2pff n ASN 165 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2pff s THR 166 N 6.13 -0.05 -0.52 3.41 2.01 -1.26 -4.82 115.64 120.54 2pff s THR 166 Ca 0.55 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.66 2pff s THR 166 Cb 0.13 -0.67 0.53 0.00 0.01 0.00 0.00 72.50 72.50 2pff s THR 166 CO 0.23 0.03 1.86 -0.90 -0.69 0.00 0.00 174.62 175.15 2pff n ASP 167 N 4.32 5.52 0.01 3.53 5.75 -1.26 -4.43 116.55 129.98 2pff n ASP 167 Ca -0.22 -3.73 0.00 0.00 -0.01 0.00 0.00 54.79 50.83 2pff n ASP 167 Cb 0.55 -0.84 0.00 0.00 -1.03 0.00 0.00 41.12 39.81 2pff n ASP 167 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2pff n ASP 168 N -1.00 0.13 0.00 -1.12 8.00 -1.26 -5.02 116.55 116.27 2pff n ASP 168 Ca 0.57 0.02 0.00 0.00 0.71 0.00 0.00 54.79 56.08 2pff n ASP 168 Cb 1.08 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 42.14 2pff n ASP 168 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2pff n TYR 169 N -3.06 0.00 -0.52 1.24 4.02 -1.26 -2.00 117.16 115.58 2pff n TYR 169 Ca 0.00 0.00 0.40 0.00 -0.01 0.00 0.00 57.90 58.29 2pff n TYR 169 Cb 0.44 0.00 0.64 0.00 -0.02 0.00 0.00 39.34 40.40 2pff n TYR 169 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2pff n PHE 170 N 0.00 0.20 0.34 -0.72 7.35 -1.26 0.21 117.46 123.58 2pff n PHE 170 Ca 0.00 0.21 0.03 0.00 -0.76 0.00 0.00 57.45 56.93 2pff n PHE 170 Cb 0.00 -0.62 0.17 0.00 0.35 0.00 0.00 39.48 39.39 2pff n PHE 170 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2pff n GLU 171 N -3.85 0.13 -0.11 -4.13 -0.58 -0.85 -0.71 120.64 110.55 2pff n GLU 171 Ca 0.35 0.14 -0.22 0.00 -0.42 0.00 0.00 57.16 57.01 2pff n GLU 171 Cb 1.53 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 30.83 2pff n GLU 171 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2pff n GLU 172 N -1.18 0.46 -0.18 3.49 4.07 0.55 -3.97 120.64 123.89 2pff n GLU 172 Ca 0.04 0.20 -0.04 0.00 -0.06 0.00 0.00 57.16 57.29 2pff n GLU 172 Cb 0.04 -1.28 0.05 0.00 -0.06 0.00 0.00 31.44 30.20 2pff n GLU 172 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2pff h LEU 173 N -0.79 0.47 0.19 4.31 6.46 -1.41 0.94 115.31 125.48 2pff h LEU 173 Ca -0.51 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.26 2pff h LEU 173 Cb 1.43 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.28 2pff h LEU 173 CO -0.31 0.32 -0.09 -0.09 -0.62 0.00 0.00 178.44 177.65 2pff h ARG 174 N 0.59 -0.25 -1.03 1.25 2.43 -1.18 1.26 114.38 117.45 2pff h ARG 174 Ca 0.23 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2pff h ARG 174 Cb 0.09 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2pff h ARG 174 CO -0.13 -0.03 0.00 -0.25 -1.51 0.00 0.00 179.97 178.05 2pff n ASP 175 N -5.12 1.55 0.00 -3.80 8.00 -0.84 -0.18 116.55 116.16 2pff n ASP 175 Ca -0.09 -1.45 0.00 0.00 0.71 0.00 0.00 54.79 53.96 2pff n ASP 175 Cb 0.18 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 2pff n ASP 175 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2pff n LEU 176 N 0.42 0.57 0.25 0.64 7.94 0.27 -4.43 117.00 122.66 2pff n LEU 176 Ca 0.00 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.80 2pff n LEU 176 Cb 0.28 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.19 2pff n LEU 176 CO 0.00 -0.06 0.47 0.22 -1.11 0.00 0.00 177.39 176.91 2pff h TYR 177 N 0.00 -0.59 -0.62 1.96 3.20 0.29 -1.99 116.97 119.22 2pff h TYR 177 Ca 0.00 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.98 2pff h TYR 177 Cb 0.51 0.19 -0.11 0.00 1.54 0.00 0.00 36.73 38.86 2pff h TYR 177 CO 0.00 -0.37 -0.12 0.37 -1.64 0.00 0.00 178.16 176.41 2pff h GLN 178 N -0.68 0.02 -0.20 1.82 5.75 -0.79 -2.53 115.11 118.50 2pff h GLN 178 Ca -0.06 -0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.46 2pff h GLN 178 Cb 0.49 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.99 2pff h GLN 178 CO 0.11 0.02 -0.31 1.15 -2.65 0.00 0.00 178.83 177.14 2pff h THR 179 N 0.03 0.00 -3.43 2.39 2.02 -1.70 -3.32 112.91 108.90 2pff h THR 179 Ca 0.31 0.00 -0.65 0.00 0.77 0.00 0.00 66.41 66.83 2pff h THR 179 Cb 0.48 0.00 -0.40 0.00 -1.74 0.00 0.00 68.15 66.49 2pff h THR 179 CO -0.61 0.00 -0.56 -0.31 0.37 0.00 0.00 175.52 174.40 2pff s TYR 180 N -4.49 3.25 0.15 3.16 1.51 -0.76 -4.19 117.35 115.98 2pff s TYR 180 Ca -0.08 -3.06 -0.25 0.00 -1.01 0.00 0.00 57.07 52.67 2pff s TYR 180 Cb 0.05 -2.92 0.01 0.00 -0.11 0.00 0.00 41.96 38.99 2pff s TYR 180 CO 0.34 -0.77 1.60 0.45 -1.11 0.00 0.00 175.55 176.07 2pff h HIS 181 N 6.64 -0.91 0.00 2.71 3.86 -1.62 -3.31 115.15 122.52 2pff h HIS 181 Ca -0.06 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2pff h HIS 181 Cb 0.91 0.44 0.00 0.00 1.06 0.00 0.00 27.41 29.81 2pff h HIS 181 CO 0.57 -0.39 0.00 0.28 0.86 0.00 0.00 177.93 179.24 2pff n VAL 182 N -5.41 0.00 0.00 2.45 0.31 -1.26 -2.86 118.33 111.56 2pff n VAL 182 Ca -0.02 0.80 0.00 0.00 -0.01 0.00 0.00 64.34 65.12 2pff n VAL 182 Cb 0.33 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 2pff n VAL 182 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2pff n LEU 183 N -0.43 0.00 0.00 7.52 4.77 -1.24 -2.16 117.00 125.46 2pff n LEU 183 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2pff n LEU 183 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2pff n LEU 183 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.39 176.61 2pff n VAL 184 N 0.74 0.00 -0.27 4.08 3.14 -1.26 -4.36 118.33 120.41 2pff n VAL 184 Ca 0.00 0.00 0.33 0.00 -2.96 0.00 0.00 64.34 61.71 2pff n VAL 184 Cb 0.00 0.00 0.70 0.00 -1.06 0.00 0.00 33.84 33.48 2pff n VAL 184 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 2pff h GLY 185 N 0.00 0.00 0.00 7.55 0.00 -1.28 -0.59 103.07 108.75 2pff h GLY 185 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pff h GLY 185 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 2pff n ASP 186 N -3.85 0.00 -0.15 0.19 9.92 -1.26 0.12 116.55 121.52 2pff n ASP 186 Ca 0.24 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.61 2pff n ASP 186 Cb 1.28 0.00 0.20 0.00 -0.64 0.00 0.00 41.12 41.97 2pff n ASP 186 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2pff n LEU 187 N 0.00 0.06 0.00 0.64 4.77 -1.07 0.54 117.00 121.93 2pff n LEU 187 Ca 0.00 0.76 0.00 0.00 -0.03 0.00 0.00 56.01 56.74 2pff n LEU 187 Cb 0.00 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2pff n LEU 187 CO 0.00 -0.81 0.04 -0.38 -1.33 0.00 0.00 177.39 174.91 2pff n ILE 188 N -4.24 0.00 -0.25 -0.08 2.08 -0.25 0.13 119.36 116.75 2pff n ILE 188 Ca 0.14 0.59 0.15 0.00 0.56 0.00 0.00 62.75 64.19 2pff n ILE 188 Cb 0.47 -1.55 0.29 0.00 -0.75 0.00 0.00 39.64 38.11 2pff n ILE 188 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2pff n LYS 189 N -0.09 -0.05 0.00 0.38 3.00 0.12 0.07 118.16 121.59 2pff n LYS 189 Ca 0.00 1.06 0.00 0.00 -0.00 0.00 0.00 58.31 59.37 2pff n LYS 189 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 35.03 33.26 2pff n LYS 189 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2pff n PHE 190 N -4.88 0.00 -0.54 5.64 7.35 0.19 -1.54 117.46 123.68 2pff n PHE 190 Ca 0.21 0.00 0.45 0.00 -0.76 0.00 0.00 57.45 57.35 2pff n PHE 190 Cb 0.70 -0.06 0.75 0.00 0.35 0.00 0.00 39.48 41.22 2pff n PHE 190 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 2pff h SER 191 N 0.00 0.00 0.00 -2.13 4.64 0.25 0.22 113.55 116.53 2pff h SER 191 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pff h SER 191 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2pff h SER 191 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2pff n ALA 192 N -2.77 -0.20 -0.21 5.18 0.00 0.11 -0.54 120.51 122.07 2pff n ALA 192 Ca 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.75 2pff n ALA 192 Cb 1.76 0.04 -0.05 0.00 0.00 0.00 0.00 19.45 21.20 2pff n ALA 192 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2pff n GLU 193 N -1.28 -0.22 0.00 0.00 -0.58 0.61 -0.63 120.64 118.54 2pff n GLU 193 Ca 0.00 1.19 0.00 0.00 -0.42 0.00 0.00 57.16 57.93 2pff n GLU 193 Cb 0.00 -1.76 0.00 0.00 -0.57 0.00 0.00 31.44 29.11 2pff n GLU 193 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2pff n THR 194 N -4.14 0.00 -0.30 2.62 -1.04 -0.20 0.50 114.28 111.73 2pff n THR 194 Ca 0.01 0.51 0.05 0.00 -2.04 0.00 0.00 64.05 62.58 2pff n THR 194 Cb 0.13 -0.72 0.19 0.00 -1.82 0.00 0.00 70.33 68.11 2pff n THR 194 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2pff h LEU 195 N 0.00 0.65 -1.11 -4.42 3.38 -0.25 0.18 115.31 113.74 2pff h LEU 195 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2pff h LEU 195 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2pff h LEU 195 CO 0.00 0.34 0.28 -1.28 0.09 0.00 0.00 178.44 177.86 2pff h SER 196 N 0.75 0.00 0.00 -0.43 0.87 0.24 -1.62 113.55 113.37 2pff h SER 196 Ca 0.43 0.00 -0.45 0.00 -1.23 0.00 0.00 61.79 60.54 2pff h SER 196 Cb 0.48 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.37 2pff h SER 196 CO -0.29 0.00 -2.51 -0.62 -0.53 0.00 0.00 176.83 172.89 2pff n GLU 197 N -2.21 0.58 0.00 2.24 -0.58 0.58 -4.38 120.64 116.87 2pff n GLU 197 Ca -0.01 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 2pff n GLU 197 Cb 0.30 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 2pff n GLU 197 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2pff n LEU 198 N -4.07 0.00 0.00 -4.62 4.77 -0.62 -2.38 117.00 110.09 2pff n LEU 198 Ca -0.52 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 2pff n LEU 198 Cb 0.89 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 2pff n LEU 198 CO 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.12 2pff n ILE 199 N -0.66 0.00 0.18 -0.08 3.06 -1.19 -3.74 119.36 116.93 2pff n ILE 199 Ca 0.00 0.19 0.16 0.00 -2.50 0.00 0.00 62.75 60.61 2pff n ILE 199 Cb 0.00 -1.01 0.62 0.00 0.54 0.00 0.00 39.64 39.79 2pff n ILE 199 CO 0.00 0.00 0.00 0.08 -2.50 0.00 0.00 176.55 174.13 2pff h ARG 200 N 0.00 0.00 0.07 9.51 0.11 -1.72 0.44 114.38 122.80 2pff h ARG 200 Ca 0.00 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.83 2pff h ARG 200 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2pff h ARG 200 CO 0.00 0.00 -1.10 1.15 0.10 0.00 0.00 179.97 180.12 2pff h THR 201 N 0.00 1.47 -0.82 0.08 2.02 -1.68 -3.17 112.91 110.80 2pff h THR 201 Ca 0.13 -2.82 -0.39 0.00 0.77 0.00 0.00 66.41 64.10 2pff h THR 201 Cb 1.33 2.72 -0.23 0.00 -1.74 0.00 0.00 68.15 70.22 2pff h THR 201 CO -0.00 0.83 0.50 0.41 0.37 0.00 0.00 175.52 177.62 2pff n THR 202 N -3.61 2.86 0.00 3.16 -1.04 0.15 -4.99 114.28 110.81 2pff n THR 202 Ca -0.07 -1.62 0.00 0.00 -2.04 0.00 0.00 64.05 60.32 2pff n THR 202 Cb 0.94 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 2pff n THR 202 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2pff n LEU 203 N -0.73 0.00 0.00 -4.42 4.77 -1.05 -2.49 117.00 113.08 2pff n LEU 203 Ca 0.49 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 2pff n LEU 203 Cb 1.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.56 2pff n LEU 203 CO 0.50 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.89 2pff n ASP 204 N 0.00 0.00 0.00 -1.43 -0.08 -1.26 -4.93 116.55 108.85 2pff n ASP 204 Ca 0.00 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.38 2pff n ASP 204 Cb 0.00 0.00 0.51 0.00 2.34 0.00 0.00 41.12 43.97 2pff n ASP 204 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2pff n ALA 205 N 0.00 2.07 0.45 -1.67 0.00 -1.04 -2.28 120.51 118.05 2pff n ALA 205 Ca 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.47 2pff n ALA 205 Cb 0.00 -1.32 0.35 0.00 0.00 0.00 0.00 19.45 18.48 2pff n ALA 205 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2pff h GLU 206 N 0.00 0.00 -0.63 0.00 5.08 -1.86 -2.99 114.58 114.18 2pff h GLU 206 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pff h GLU 206 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2pff h GLU 206 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 2pff n LYS 207 N -2.59 2.61 0.00 2.33 5.02 -0.97 -3.96 118.16 120.60 2pff n LYS 207 Ca 0.04 -2.29 0.00 0.00 -2.02 0.00 0.00 58.31 54.04 2pff n LYS 207 Cb 0.44 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 2pff n LYS 207 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2pff n VAL 208 N 1.27 0.00 -2.00 -0.18 0.31 -1.13 -4.71 118.33 111.89 2pff n VAL 208 Ca 0.21 -0.48 -0.25 0.00 -0.01 0.00 0.00 64.34 63.82 2pff n VAL 208 Cb 0.57 1.01 0.02 0.00 -0.91 0.00 0.00 33.84 34.53 2pff n VAL 208 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2pff n PHE 209 N -0.78 2.81 -0.19 3.52 3.01 -1.22 -4.86 117.46 119.75 2pff n PHE 209 Ca 0.00 -2.31 0.04 0.00 1.01 0.00 0.00 57.45 56.20 2pff n PHE 209 Cb 0.00 -0.40 0.10 0.00 -0.01 0.00 0.00 39.48 39.17 2pff n PHE 209 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2pff n THR 210 N -0.71 -0.22 -2.45 4.37 -2.24 -1.26 -2.87 114.28 108.90 2pff n THR 210 Ca 0.45 1.19 -0.41 0.00 -2.27 0.00 0.00 64.05 63.01 2pff n THR 210 Cb 0.94 -1.67 -0.03 0.00 -2.10 0.00 0.00 70.33 67.47 2pff n THR 210 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pff s GLN 211 N -5.58 3.18 -0.38 -0.78 -2.07 -1.26 -4.90 119.66 107.88 2pff s GLN 211 Ca -0.08 0.10 -0.35 0.00 -1.82 0.00 0.00 55.36 53.22 2pff s GLN 211 Cb 0.15 -4.17 -0.15 0.00 -1.09 0.00 0.00 33.01 27.74 2pff s GLN 211 CO 0.41 -2.12 1.29 0.41 -1.32 0.00 0.00 175.29 173.96 2pff n GLY 212 N 5.35 0.09 1.01 2.60 0.00 -1.14 -4.71 105.19 108.40 2pff n GLY 212 Ca 0.08 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.88 2pff n GLY 212 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2pff n LEU 213 N 3.57 2.18 -2.83 0.99 7.94 -1.26 -4.63 117.00 122.95 2pff n LEU 213 Ca 0.27 -1.09 -0.11 0.00 -1.11 0.00 0.00 56.01 53.98 2pff n LEU 213 Cb -0.04 -0.37 -0.03 0.00 0.53 0.00 0.00 43.42 43.51 2pff n LEU 213 CO 0.67 0.36 1.54 -3.20 -1.11 0.00 0.00 177.39 175.66 2pff n ASN 214 N 0.66 2.76 0.00 1.96 2.85 -1.26 -4.57 115.26 117.65 2pff n ASN 214 Ca 0.00 -2.09 0.00 0.00 -0.11 0.00 0.00 54.58 52.38 2pff n ASN 214 Cb 0.36 -0.76 0.00 0.00 1.24 0.00 0.00 39.78 40.62 2pff n ASN 214 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 2pff n ILE 215 N 3.90 0.48 0.00 -1.44 5.41 -1.26 -3.16 119.36 123.28 2pff n ILE 215 Ca 0.24 0.43 0.00 0.00 1.00 0.00 0.00 62.75 64.42 2pff n ILE 215 Cb 0.17 -1.43 0.00 0.00 -0.71 0.00 0.00 39.64 37.68 2pff n ILE 215 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2pff n LEU 216 N -1.07 0.00 -0.37 1.39 0.00 -1.26 -4.04 117.00 111.65 2pff n LEU 216 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 56.01 56.32 2pff n LEU 216 Cb 0.31 0.00 0.52 0.00 0.00 0.00 0.00 43.42 44.25 2pff n LEU 216 CO 0.00 0.00 0.94 -0.62 0.00 0.00 0.00 177.39 177.71 2pff n GLU 217 N 0.00 -0.02 0.25 1.96 1.02 -1.19 -0.84 120.64 121.81 2pff n GLU 217 Ca 0.00 0.93 0.04 0.00 -0.02 0.00 0.00 57.16 58.11 2pff n GLU 217 Cb 0.00 -1.86 0.06 0.00 -0.02 0.00 0.00 31.44 29.62 2pff n GLU 217 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2pff n TRP 218 N -4.12 0.00 -0.09 -0.32 7.02 -1.24 -1.31 117.44 117.39 2pff n TRP 218 Ca 0.31 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.68 2pff n TRP 218 Cb 1.21 -0.04 -0.04 0.00 -2.42 0.00 0.00 31.31 30.03 2pff n TRP 218 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2pff n LEU 219 N -2.59 1.90 -0.29 -0.99 4.77 -0.02 -3.90 117.00 115.88 2pff n LEU 219 Ca 0.03 0.43 0.07 0.00 -0.03 0.00 0.00 56.01 56.51 2pff n LEU 219 Cb 1.07 -0.80 0.21 0.00 -2.33 0.00 0.00 43.42 41.57 2pff n LEU 219 CO 0.03 -0.21 1.09 -0.33 -1.33 0.00 0.00 177.39 176.63 2pff h GLU 220 N -1.00 0.58 -1.97 3.23 5.08 -1.39 -3.33 114.58 115.78 2pff h GLU 220 Ca -0.09 -0.03 -0.49 0.00 -1.00 0.00 0.00 59.36 57.75 2pff h GLU 220 Cb 0.93 -0.13 -0.33 0.00 0.50 0.00 0.00 28.75 29.72 2pff h GLU 220 CO -0.06 0.38 -0.88 0.27 -1.00 0.00 0.00 179.01 177.73 2pff n ASN 221 N -4.89 -1.09 0.00 1.42 2.04 -0.87 -4.98 115.26 106.90 2pff n ASN 221 Ca 0.16 -2.55 0.00 0.00 -0.44 0.00 0.00 54.58 51.76 2pff n ASN 221 Cb 0.42 -0.03 0.00 0.00 -2.53 0.00 0.00 39.78 37.65 2pff n ASN 221 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 2pff n PRO 222 N 2.65 0.00 -0.66 -0.53 -0.04 -1.25 -3.30 135.00 131.87 2pff n PRO 222 Ca 0.26 0.14 0.51 0.00 -0.04 0.00 0.00 63.50 64.37 2pff n PRO 222 Cb 0.51 -1.54 0.81 0.00 -0.04 0.00 0.00 33.50 33.24 2pff n PRO 222 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2pff h SER 223 N 0.00 0.01 0.00 3.54 4.64 -1.91 1.07 113.55 120.90 2pff h SER 223 Ca 0.00 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 2pff h SER 223 Cb 0.08 0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 62.09 2pff h SER 223 CO 0.00 -0.01 -0.60 -3.20 -0.87 0.00 0.00 176.83 172.15 2pff n ASN 224 N -3.99 1.56 -4.61 4.97 4.05 -1.21 -5.03 115.26 111.00 2pff n ASN 224 Ca 0.43 -3.45 -0.43 0.00 0.45 0.00 0.00 54.58 51.58 2pff n ASN 224 Cb 1.93 -0.47 -0.03 0.00 1.23 0.00 0.00 39.78 42.44 2pff n ASN 224 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2pff s THR 225 N -2.49 3.54 -0.94 -0.44 2.01 0.37 -4.87 115.64 112.82 2pff s THR 225 Ca 0.37 0.58 -0.16 0.00 0.31 0.00 0.00 61.69 62.79 2pff s THR 225 Cb 0.37 -3.65 -0.27 0.00 0.01 0.00 0.00 72.50 68.95 2pff s THR 225 CO -0.09 -0.36 2.29 -2.65 -0.69 0.00 0.00 174.62 173.12 2pff n PRO 226 N 8.13 0.15 0.00 4.92 -0.02 -1.26 -4.76 135.00 142.16 2pff n PRO 226 Ca 0.21 -0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2pff n PRO 226 Cb 0.46 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 2pff n PRO 226 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2pff n ASP 227 N 9.13 -1.98 0.00 2.55 8.00 -1.26 -3.92 116.55 129.07 2pff n ASP 227 Ca 0.62 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.12 2pff n ASP 227 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 2pff n ASP 227 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2pff n LYS 228 N 0.00 5.43 0.00 -1.24 4.81 -1.26 -4.76 118.16 121.14 2pff n LYS 228 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2pff n LYS 228 Cb 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 35.03 34.56 2pff n LYS 228 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2pff n ASP 229 N -0.04 0.00 0.17 3.14 2.03 -1.26 -4.21 116.55 116.39 2pff n ASP 229 Ca 0.00 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.36 2pff n ASP 229 Cb 0.00 0.00 0.26 0.00 -0.72 0.00 0.00 41.12 40.66 2pff n ASP 229 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2pff h TYR 230 N 0.00 0.00 0.00 -0.67 -1.99 -1.92 0.54 116.97 112.93 2pff h TYR 230 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2pff h TYR 230 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2pff h TYR 230 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 178.16 178.05 2pff n LEU 231 N -2.00 0.25 -0.09 3.88 7.94 -1.25 -1.47 117.00 124.25 2pff n LEU 231 Ca -0.01 0.60 -0.10 0.00 -1.11 0.00 0.00 56.01 55.40 2pff n LEU 231 Cb 0.46 -0.62 -0.16 0.00 0.53 0.00 0.00 43.42 43.64 2pff n LEU 231 CO 0.04 -0.63 -1.05 -0.11 -1.11 0.00 0.00 177.39 174.54 2pff n LEU 232 N -1.82 0.19 -4.37 -1.96 0.00 0.19 -4.41 117.00 104.81 2pff n LEU 232 Ca 0.00 0.07 -0.40 0.00 0.00 0.00 0.00 56.01 55.68 2pff n LEU 232 Cb 0.05 0.43 0.01 0.00 0.00 0.00 0.00 43.42 43.91 2pff n LEU 232 CO 0.07 0.49 -0.22 -1.54 0.00 0.00 0.00 177.39 176.18 2pff n SER 233 N -2.81 -2.05 -0.19 1.96 3.41 -0.54 -4.51 113.62 108.89 2pff n SER 233 Ca -0.30 0.78 -0.07 0.00 -0.26 0.00 0.00 58.87 59.01 2pff n SER 233 Cb 1.14 -1.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 2pff n SER 233 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 2pff h ILE 234 N 0.36 0.00 -2.92 -1.33 2.10 -1.92 -2.82 117.51 110.98 2pff h ILE 234 Ca -0.41 0.00 -0.53 0.00 1.08 0.00 0.00 64.86 65.00 2pff h ILE 234 Cb 1.42 0.00 0.02 0.00 -1.09 0.00 0.00 36.82 37.17 2pff h ILE 234 CO 0.47 0.00 0.80 -2.16 -1.08 0.00 0.00 178.15 176.18 2pff s PRO 235 N -4.57 4.29 0.00 2.19 0.04 -1.26 -1.46 135.00 134.23 2pff s PRO 235 Ca -0.08 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2pff s PRO 235 Cb 0.06 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2pff s PRO 235 CO 0.38 -0.53 0.00 -0.89 0.04 0.00 0.00 177.00 176.00 2pff n ILE 236 N 4.29 0.00 -0.06 0.56 5.41 -1.26 -4.81 119.36 123.48 2pff n ILE 236 Ca 0.13 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.73 2pff n ILE 236 Cb 0.42 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.22 2pff n ILE 236 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2pff h SER 237 N 0.65 0.02 -0.50 4.38 4.64 -1.03 -3.22 113.55 118.49 2pff h SER 237 Ca 0.00 -0.99 0.09 0.00 -0.47 0.00 0.00 61.79 60.42 2pff h SER 237 Cb 0.00 -0.01 -0.10 0.00 -0.31 0.00 0.00 62.40 61.98 2pff h SER 237 CO 0.00 1.01 -0.36 0.00 -0.87 0.00 0.00 176.83 176.60 2pff n PRO 239 N -5.42 0.00 -0.50 0.00 -0.04 -1.26 -3.08 135.00 124.70 2pff n PRO 239 Ca 0.02 0.16 0.40 0.00 -0.04 0.00 0.00 63.50 64.03 2pff n PRO 239 Cb 0.35 -1.15 0.64 0.00 -0.04 0.00 0.00 33.50 33.30 2pff n PRO 239 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2pff n LEU 240 N -0.95 0.09 0.15 1.53 4.32 -1.21 -0.23 117.00 120.70 2pff n LEU 240 Ca 0.00 1.02 -0.09 0.00 -0.02 0.00 0.00 56.01 56.92 2pff n LEU 240 Cb 0.00 -0.50 -0.05 0.00 -1.62 0.00 0.00 43.42 41.25 2pff n LEU 240 CO 0.00 -1.07 0.51 -0.29 -1.22 0.00 0.00 177.39 175.32 2pff h ILE 241 N 0.00 0.00 -0.53 -0.08 2.10 -1.14 -0.62 117.51 117.24 2pff h ILE 241 Ca 0.77 0.00 0.09 0.00 1.08 0.00 0.00 64.86 66.80 2pff h ILE 241 Cb 2.80 0.00 -0.07 0.00 -1.09 0.00 0.00 36.82 38.46 2pff h ILE 241 CO -0.21 0.00 0.14 1.23 -1.08 0.00 0.00 178.15 178.23 2pff h GLY 242 N -0.49 0.68 -0.85 8.18 0.00 -0.61 0.74 103.07 110.72 2pff h GLY 242 Ca -0.03 -0.05 0.21 0.00 0.00 0.00 0.00 47.33 47.45 2pff h GLY 242 CO -0.02 -0.06 -0.08 -0.62 0.00 0.00 0.00 176.54 175.76 2pff n VAL 243 N -5.08 -0.36 0.00 4.60 0.31 -0.79 0.15 118.33 117.17 2pff n VAL 243 Ca 0.07 1.91 0.00 0.00 -0.01 0.00 0.00 64.34 66.31 2pff n VAL 243 Cb 0.26 -2.73 0.00 0.00 -0.91 0.00 0.00 33.84 30.46 2pff n VAL 243 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2pff n ILE 244 N -5.30 0.00 -0.34 2.52 5.41 0.24 0.16 119.36 122.04 2pff n ILE 244 Ca 0.17 1.30 0.22 0.00 1.00 0.00 0.00 62.75 65.45 2pff n ILE 244 Cb 0.56 -2.19 0.46 0.00 -0.71 0.00 0.00 39.64 37.76 2pff n ILE 244 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 176.55 176.61 2pff h GLN 245 N 0.00 0.39 0.63 0.38 3.07 -0.72 0.59 115.11 119.45 2pff h GLN 245 Ca 0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.69 2pff h GLN 245 Cb 0.00 -0.09 0.01 0.00 0.08 0.00 0.00 27.48 27.48 2pff h GLN 245 CO 0.00 0.26 -0.30 -0.07 0.09 0.00 0.00 178.83 178.81 2pff h LEU 246 N 0.41 -0.72 -0.98 0.06 3.38 0.16 0.19 115.31 117.82 2pff h LEU 246 Ca 0.69 -0.02 0.28 0.00 0.09 0.00 0.00 57.88 58.92 2pff h LEU 246 Cb 1.56 0.19 -0.14 0.00 0.09 0.00 0.00 40.66 42.36 2pff h LEU 246 CO -0.51 -0.39 0.51 0.00 0.09 0.00 0.00 178.44 178.14 2pff h ALA 247 N -0.81 1.77 0.58 1.53 0.00 0.61 0.20 119.26 123.13 2pff h ALA 247 Ca -0.09 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2pff h ALA 247 Cb 0.69 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.63 2pff h ALA 247 CO 0.14 -0.45 -0.28 0.45 0.00 0.00 0.00 179.25 179.11 2pff h HIS 248 N 0.39 -0.72 -1.49 0.00 3.86 0.26 0.18 115.15 117.62 2pff h HIS 248 Ca 0.67 -0.02 0.48 0.00 -1.16 0.00 0.00 60.37 60.34 2pff h HIS 248 Cb 1.41 0.24 -0.12 0.00 1.06 0.00 0.00 27.41 30.01 2pff h HIS 248 CO -0.06 -0.45 1.00 -0.92 0.86 0.00 0.00 177.93 178.36 2pff h TYR 249 N -1.08 0.38 0.68 2.45 3.20 0.68 3.01 116.97 126.29 2pff h TYR 249 Ca -0.08 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.77 2pff h TYR 249 Cb 0.59 -0.09 0.01 0.00 1.54 0.00 0.00 36.73 38.78 2pff h TYR 249 CO 0.02 -0.17 -0.33 0.28 -1.64 0.00 0.00 178.16 176.32 2pff h VAL 250 N 0.04 0.00 -0.73 1.81 2.07 -0.20 0.96 116.25 120.21 2pff h VAL 250 Ca 0.86 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 68.12 2pff h VAL 250 Cb 2.92 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.63 2pff h VAL 250 CO -0.32 0.00 0.42 0.58 0.02 0.00 0.00 177.57 178.26 2pff h VAL 251 N -1.24 0.97 -1.00 2.57 2.07 0.50 1.27 116.25 121.39 2pff h VAL 251 Ca -0.09 -0.26 0.20 0.00 0.82 0.00 0.00 66.70 67.37 2pff h VAL 251 Cb 0.70 0.15 -0.10 0.00 -1.52 0.00 0.00 31.29 30.52 2pff h VAL 251 CO 0.15 0.14 0.62 0.74 0.02 0.00 0.00 177.57 179.24 2pff h THR 252 N 0.75 0.67 0.00 2.57 2.02 0.48 -1.10 112.91 118.30 2pff h THR 252 Ca 0.33 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.28 2pff h THR 252 Cb 0.22 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 2pff h THR 252 CO -0.19 0.12 0.00 0.00 0.37 0.00 0.00 175.52 175.82 2pff n ALA 253 N -2.37 0.00 -0.03 6.16 0.00 0.37 -2.90 120.51 121.74 2pff n ALA 253 Ca 0.23 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.68 2pff n ALA 253 Cb 0.63 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.11 2pff n ALA 253 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pff n LYS 254 N 0.00 -0.01 0.20 0.00 5.02 0.23 0.22 118.16 123.82 2pff n LYS 254 Ca 0.00 0.14 -0.10 0.00 -2.02 0.00 0.00 58.31 56.33 2pff n LYS 254 Cb 0.00 -0.22 -0.05 0.00 -0.02 0.00 0.00 35.03 34.74 2pff n LYS 254 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2pff h LEU 255 N 0.00 -0.65 0.00 -0.35 5.85 -1.37 -2.21 115.31 116.58 2pff h LEU 255 Ca 0.05 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2pff h LEU 255 Cb 0.09 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2pff h LEU 255 CO -0.09 -0.37 0.08 -0.11 -0.34 0.00 0.00 178.44 177.61 2pff n LEU 256 N -3.87 0.00 -2.60 2.25 7.94 0.59 -4.73 117.00 116.58 2pff n LEU 256 Ca -0.07 0.13 -0.18 0.00 -1.11 0.00 0.00 56.01 54.77 2pff n LEU 256 Cb 0.25 -0.13 0.04 0.00 0.53 0.00 0.00 43.42 44.11 2pff n LEU 256 CO 0.16 -0.13 0.07 0.61 -1.11 0.00 0.00 177.39 177.00 2pff n GLY 257 N -1.01 -0.25 0.00 -3.96 0.00 -0.83 -4.73 105.19 94.41 2pff n GLY 257 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2pff n GLY 257 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pff n PHE 258 N -4.33 0.00 -3.76 1.61 0.99 -1.24 -3.96 117.46 106.77 2pff n PHE 258 Ca -0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.27 2pff n PHE 258 Cb 0.58 0.00 -0.08 0.00 -1.00 0.00 0.00 39.48 38.98 2pff n PHE 258 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 2pff s THR 259 N 1.77 0.07 0.09 4.37 2.01 -1.26 -4.54 115.64 118.14 2pff s THR 259 Ca 0.00 -0.57 0.06 0.00 0.31 0.00 0.00 61.69 61.49 2pff s THR 259 Cb 0.00 -0.74 0.06 0.00 0.01 0.00 0.00 72.50 71.83 2pff s THR 259 CO 0.00 -0.31 0.98 -0.81 -0.69 0.00 0.00 174.62 173.79 2pff n PRO 260 N 1.00 0.05 -0.04 4.92 -0.04 -1.08 0.21 135.00 140.01 2pff n PRO 260 Ca -0.20 0.47 -0.22 0.00 -0.04 0.00 0.00 63.50 63.51 2pff n PRO 260 Cb 0.57 -2.13 -0.13 0.00 -0.04 0.00 0.00 33.50 31.77 2pff n PRO 260 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pff n GLY 261 N -1.25 -0.63 0.13 0.55 0.00 0.17 -1.25 105.19 102.90 2pff n GLY 261 Ca -0.00 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.95 2pff n GLY 261 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pff n GLU 262 N -3.79 0.10 -0.09 1.61 -0.58 0.55 -0.55 120.64 117.90 2pff n GLU 262 Ca -0.33 0.60 -0.16 0.00 -0.42 0.00 0.00 57.16 56.85 2pff n GLU 262 Cb 0.93 -1.87 -0.07 0.00 -0.57 0.00 0.00 31.44 29.86 2pff n GLU 262 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2pff n LEU 263 N -2.06 1.87 0.03 -4.62 4.77 -0.60 -3.84 117.00 112.54 2pff n LEU 263 Ca -0.01 0.10 0.02 0.00 -0.03 0.00 0.00 56.01 56.09 2pff n LEU 263 Cb 0.05 -0.53 0.10 0.00 -2.33 0.00 0.00 43.42 40.71 2pff n LEU 263 CO 0.07 0.51 0.56 -2.11 -1.33 0.00 0.00 177.39 175.10 2pff n ARG 264 N -3.49 0.02 0.00 3.23 1.85 -0.38 -3.17 116.66 114.73 2pff n ARG 264 Ca -0.32 0.45 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 2pff n ARG 264 Cb 0.77 -1.68 0.00 0.00 -1.05 0.00 0.00 32.46 30.50 2pff n ARG 264 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2pff n SER 265 N -1.56 0.00 -4.30 2.89 2.88 0.28 -4.56 113.62 109.25 2pff n SER 265 Ca -0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 2pff n SER 265 Cb 0.11 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.41 2pff n SER 265 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2pff n TYR 266 N 0.00 0.44 -1.54 0.66 4.02 -1.19 -4.46 117.16 115.09 2pff n TYR 266 Ca 0.00 0.30 0.00 0.00 -0.01 0.00 0.00 57.90 58.19 2pff n TYR 266 Cb 0.00 -1.97 0.00 0.00 -0.02 0.00 0.00 39.34 37.35 2pff n TYR 266 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 2pff n LEU 267 N 9.22 0.00 0.00 7.72 7.94 -1.26 -4.89 117.00 135.73 2pff n LEU 267 Ca 0.63 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.53 2pff n LEU 267 Cb 0.05 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.00 2pff n LEU 267 CO 0.93 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 178.38 2pff n LYS 268 N 0.00 0.00 0.00 1.96 4.81 -1.19 -4.46 118.16 119.29 2pff n LYS 268 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2pff n LYS 268 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2pff n LYS 268 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pff n GLY 269 N 0.00 0.21 2.61 3.14 0.00 -1.24 -3.58 105.19 106.32 2pff n GLY 269 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2pff n GLY 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pff n ALA 270 N -3.00 -3.41 -3.58 4.61 0.00 -0.44 -3.76 120.51 110.93 2pff n ALA 270 Ca 0.00 0.51 -0.21 0.00 0.00 0.00 0.00 53.44 53.74 2pff n ALA 270 Cb 0.00 -1.15 -0.15 0.00 0.00 0.00 0.00 19.45 18.15 2pff n ALA 270 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2pff s THR 271 N -1.57 -0.21 0.87 0.00 2.01 0.17 -3.91 115.64 112.99 2pff s THR 271 Ca 0.02 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.91 2pff s THR 271 Cb -0.01 -0.53 0.15 0.00 0.01 0.00 0.00 72.50 72.13 2pff s THR 271 CO 0.71 -0.13 1.21 -0.83 -0.69 0.00 0.00 174.62 174.88 2pff s GLY 272 N 2.24 1.74 -0.22 4.40 0.00 -1.24 -3.41 107.32 110.83 2pff s GLY 272 Ca 0.04 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 43.61 2pff s GLY 272 CO -0.09 -0.52 -0.14 -1.58 0.00 0.00 0.00 173.10 170.76 2pff s HIS 273 N -3.64 2.99 0.00 1.90 2.46 0.48 -4.09 115.29 115.40 2pff s HIS 273 Ca 0.69 -1.99 0.00 0.00 0.47 0.00 0.00 55.06 54.23 2pff s HIS 273 Cb -0.06 -1.90 0.00 0.00 -0.13 0.00 0.00 32.58 30.49 2pff s HIS 273 CO 0.50 -0.84 0.00 -1.13 -2.47 0.00 0.00 174.74 170.80 2pff n SER 274 N 4.53 0.00 0.00 9.88 3.41 -1.26 0.23 113.62 130.41 2pff n SER 274 Ca -0.17 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.48 2pff n SER 274 Cb 0.46 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.66 2pff n SER 274 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2pff n GLN 275 N 0.00 0.51 -0.00 4.33 7.27 -1.26 -1.40 117.38 126.82 2pff n GLN 275 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.14 2pff n GLN 275 Cb 0.00 -1.26 -0.10 0.00 2.41 0.00 0.00 30.24 31.29 2pff n GLN 275 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2pff n GLY 276 N 0.01 -0.49 0.07 1.69 0.00 0.64 -4.55 105.19 102.56 2pff n GLY 276 Ca 0.06 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 2pff n GLY 276 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pff h LEU 277 N 0.00 -0.03 -1.99 0.99 5.85 -1.31 -2.98 115.31 115.83 2pff h LEU 277 Ca 0.00 -0.59 0.48 0.00 0.84 0.00 0.00 57.88 58.60 2pff h LEU 277 Cb 0.50 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 2pff h LEU 277 CO 0.00 0.60 1.19 0.58 -0.34 0.00 0.00 178.44 180.47 2pff h VAL 278 N -0.69 0.17 0.00 1.05 2.07 -1.80 0.84 116.25 117.89 2pff h VAL 278 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 2pff h VAL 278 Cb 0.62 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2pff h VAL 278 CO 0.01 0.00 -0.10 0.74 0.02 0.00 0.00 177.57 178.24 2pff h THR 279 N 0.00 1.63 -0.11 2.57 2.02 -1.78 -3.18 112.91 114.06 2pff h THR 279 Ca 0.78 -1.97 0.03 0.00 0.77 0.00 0.00 66.41 66.02 2pff h THR 279 Cb 3.16 2.94 -0.06 0.00 -1.74 0.00 0.00 68.15 72.45 2pff h THR 279 CO -0.01 0.52 -0.53 0.00 0.37 0.00 0.00 175.52 175.88 2pff h ALA 280 N 0.19 -0.90 -3.00 6.16 0.00 0.80 -0.42 119.26 122.09 2pff h ALA 280 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2pff h ALA 280 Cb 0.91 0.99 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2pff h ALA 280 CO 0.02 -1.08 0.00 0.28 0.00 0.00 0.00 179.25 178.47 2pff n VAL 281 N -5.35 0.00 0.00 0.00 0.31 -0.65 -0.02 118.33 112.62 2pff n VAL 281 Ca -0.06 0.99 0.00 0.00 -0.01 0.00 0.00 64.34 65.26 2pff n VAL 281 Cb 0.37 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 2pff n VAL 281 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pff n ALA 282 N -0.99 0.38 -0.07 3.52 0.00 -1.19 0.55 120.51 122.71 2pff n ALA 282 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2pff n ALA 282 Cb 0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.94 2pff n ALA 282 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2pff n ILE 283 N -1.17 1.56 -0.13 0.00 5.41 0.97 -4.54 119.36 121.46 2pff n ILE 283 Ca 0.00 -0.72 -0.09 0.00 1.00 0.00 0.00 62.75 62.94 2pff n ILE 283 Cb 0.30 -1.13 -0.06 0.00 -0.71 0.00 0.00 39.64 38.03 2pff n ILE 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2pff h ALA 284 N 0.53 -0.56 -2.26 -1.39 0.00 0.33 -3.34 119.26 112.57 2pff h ALA 284 Ca -0.47 0.02 -0.75 0.00 0.00 0.00 0.00 54.91 53.71 2pff h ALA 284 Cb 2.05 1.04 -0.23 0.00 0.00 0.00 0.00 17.79 20.65 2pff h ALA 284 CO 0.02 -0.75 0.06 -1.83 0.00 0.00 0.00 179.25 176.75 2pff s GLU 285 N -4.69 3.26 -0.22 0.00 4.04 -1.25 -4.52 118.70 115.32 2pff s GLU 285 Ca -0.09 -1.86 -0.06 0.00 0.04 0.00 0.00 54.97 53.00 2pff s GLU 285 Cb 0.06 -4.39 0.10 0.00 0.02 0.00 0.00 34.13 29.92 2pff s GLU 285 CO 0.40 -1.41 0.44 0.99 -1.84 0.00 0.00 175.26 173.83 2pff s THR 286 N 1.52 -0.69 0.00 1.83 2.01 -1.25 -4.99 115.64 114.07 2pff s THR 286 Ca 0.13 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.24 2pff s THR 286 Cb -0.20 -0.73 0.00 0.00 0.01 0.00 0.00 72.50 71.58 2pff s THR 286 CO -0.01 0.03 0.00 -0.67 -0.69 0.00 0.00 174.62 173.28 2pff n ASP 287 N 5.39 0.00 -4.91 3.53 -0.08 -1.26 -0.66 116.55 118.56 2pff n ASP 287 Ca -0.08 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 52.97 2pff n ASP 287 Cb 0.50 0.00 0.06 0.00 2.34 0.00 0.00 41.12 44.01 2pff n ASP 287 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2pff s SER 288 N -1.00 4.97 0.00 1.67 1.04 -1.26 -1.47 113.70 117.66 2pff s SER 288 Ca 0.00 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.57 2pff s SER 288 Cb 0.00 -0.87 0.00 0.00 0.10 0.00 0.00 66.02 65.25 2pff s SER 288 CO 0.00 -1.41 0.34 0.79 0.98 0.00 0.00 173.24 173.93 2pff n TRP 289 N -2.64 0.00 -0.11 5.02 8.01 -1.26 0.24 117.44 126.70 2pff n TRP 289 Ca 0.09 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 56.12 2pff n TRP 289 Cb 0.60 -0.02 -0.11 0.00 -2.01 0.00 0.00 31.31 29.76 2pff n TRP 289 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 2pff n GLU 290 N -0.09 0.65 -0.04 -0.99 -0.58 -1.26 -4.31 120.64 114.01 2pff n GLU 290 Ca 0.00 0.12 -0.21 0.00 -0.42 0.00 0.00 57.16 56.65 2pff n GLU 290 Cb 0.06 -1.47 -0.13 0.00 -0.57 0.00 0.00 31.44 29.33 2pff n GLU 290 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2pff h SER 291 N 0.00 0.22 -1.23 1.62 4.64 -1.60 -3.36 113.55 113.84 2pff h SER 291 Ca -0.52 -0.76 0.36 0.00 -0.47 0.00 0.00 61.79 60.39 2pff h SER 291 Cb 1.86 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 63.83 2pff h SER 291 CO -0.07 1.56 1.09 0.15 -0.87 0.00 0.00 176.83 178.69 2pff h PHE 292 N -0.55 0.00 0.00 4.77 3.57 -0.44 -2.63 116.94 121.66 2pff h PHE 292 Ca -0.31 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.19 2pff h PHE 292 Cb 1.58 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.32 2pff h PHE 292 CO 0.12 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.39 2pff n PHE 293 N -3.68 0.00 0.10 0.41 0.99 -1.26 -2.80 117.46 111.22 2pff n PHE 293 Ca 0.27 0.00 0.20 0.00 -0.00 0.00 0.00 57.45 57.92 2pff n PHE 293 Cb 1.48 -0.41 0.75 0.00 -1.00 0.00 0.00 39.48 40.30 2pff n PHE 293 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2pff h VAL 294 N 0.00 0.41 -0.96 -4.37 2.07 -1.78 0.90 116.25 112.52 2pff h VAL 294 Ca 0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 2pff h VAL 294 Cb 0.00 0.68 -0.10 0.00 -1.52 0.00 0.00 31.29 30.35 2pff h VAL 294 CO 0.00 0.00 0.57 -1.28 0.02 0.00 0.00 177.57 176.88 2pff h SER 295 N 0.00 0.76 -0.06 0.57 0.87 -1.47 -0.18 113.55 114.04 2pff h SER 295 Ca 0.19 0.08 -0.12 0.00 -1.23 0.00 0.00 61.79 60.70 2pff h SER 295 Cb 1.00 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.91 2pff h SER 295 CO -0.00 0.33 -0.44 0.58 -0.53 0.00 0.00 176.83 176.77 2pff h VAL 296 N 0.80 1.41 -0.98 2.23 2.07 0.99 -3.12 116.25 119.65 2pff h VAL 296 Ca 0.52 -1.84 0.41 0.00 0.82 0.00 0.00 66.70 66.61 2pff h VAL 296 Cb 0.69 2.36 -0.18 0.00 -1.52 0.00 0.00 31.29 32.64 2pff h VAL 296 CO -0.34 0.54 0.52 -1.14 0.02 0.00 0.00 177.57 177.17 2pff n ARG 297 N -4.32 -0.06 0.00 1.57 0.63 -0.15 -1.18 116.66 113.15 2pff n ARG 297 Ca -0.09 1.36 0.00 0.00 -0.92 0.00 0.00 57.85 58.20 2pff n ARG 297 Cb 0.57 -2.43 0.00 0.00 0.45 0.00 0.00 32.46 31.05 2pff n ARG 297 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2pff n LYS 298 N -5.22 0.00 -0.17 -0.14 5.02 -0.78 -1.63 118.16 115.23 2pff n LYS 298 Ca 0.37 0.04 -0.01 0.00 -2.02 0.00 0.00 58.31 56.69 2pff n LYS 298 Cb 1.26 -0.76 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 2pff n LYS 298 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pff n ALA 299 N -1.73 -0.11 0.01 7.82 0.00 -0.50 -0.58 120.51 125.42 2pff n ALA 299 Ca 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 53.44 53.85 2pff n ALA 299 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 19.45 19.28 2pff n ALA 299 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2pff h ILE 300 N 0.00 0.00 -0.90 0.00 2.04 -1.16 -0.58 117.51 116.91 2pff h ILE 300 Ca 0.13 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.23 2pff h ILE 300 Cb 0.24 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.27 2pff h ILE 300 CO -0.43 0.00 0.62 0.74 0.00 0.00 0.00 178.15 179.08 2pff h THR 301 N -0.07 0.61 0.00 -0.27 2.02 0.13 0.41 112.91 115.73 2pff h THR 301 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2pff h THR 301 Cb 0.07 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 2pff h THR 301 CO -0.03 0.04 0.00 0.52 0.37 0.00 0.00 175.52 176.41 2pff n VAL 302 N -4.40 0.00 -0.32 3.16 0.31 -0.02 -0.34 118.33 116.72 2pff n VAL 302 Ca 0.19 0.80 0.27 0.00 -0.01 0.00 0.00 64.34 65.60 2pff n VAL 302 Cb 0.84 -1.73 0.51 0.00 -0.91 0.00 0.00 33.84 32.55 2pff n VAL 302 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2pff h LEU 303 N 0.00 0.24 0.00 7.52 3.38 -0.91 0.91 115.31 126.46 2pff h LEU 303 Ca 0.00 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2pff h LEU 303 Cb 0.00 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2pff h LEU 303 CO 0.00 -0.35 0.00 0.33 0.09 0.00 0.00 178.44 178.51 2pff n PHE 304 N -5.25 0.00 -0.07 1.13 7.35 0.14 -0.74 117.46 120.02 2pff n PHE 304 Ca 0.34 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 57.19 2pff n PHE 304 Cb 1.13 -0.37 0.57 0.00 0.35 0.00 0.00 39.48 41.17 2pff n PHE 304 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2pff h PHE 305 N 0.00 0.28 0.65 -5.13 -1.00 0.17 -0.34 116.94 111.57 2pff h PHE 305 Ca 0.00 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.76 2pff h PHE 305 Cb 0.00 -0.09 0.01 0.00 3.61 0.00 0.00 35.95 39.48 2pff h PHE 305 CO -0.35 0.12 -0.31 0.82 -1.61 0.00 0.00 178.31 176.98 2pff h ILE 306 N 0.25 0.36 0.23 -0.55 2.04 -0.61 -0.99 117.51 118.24 2pff h ILE 306 Ca 0.29 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 66.13 2pff h ILE 306 Cb 0.81 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2pff h ILE 306 CO -0.06 0.00 -0.33 1.23 0.00 0.00 0.00 178.15 178.99 2pff h GLY 307 N -0.88 -1.11 -0.88 5.37 0.00 0.17 0.58 103.07 106.32 2pff h GLY 307 Ca -0.09 0.53 0.34 0.00 0.00 0.00 0.00 47.33 48.11 2pff h GLY 307 CO 0.15 -0.34 0.34 -2.08 0.00 0.00 0.00 176.54 174.61 2pff h VAL 308 N -0.58 0.07 0.02 4.60 2.07 -1.09 0.29 116.25 121.63 2pff h VAL 308 Ca -0.03 -0.02 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 2pff h VAL 308 Cb 0.53 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2pff h VAL 308 CO -0.09 0.01 -0.51 0.03 0.02 0.00 0.00 177.57 177.03 2pff h ARG 309 N 0.06 0.03 -0.68 1.57 2.47 -0.82 -3.29 114.38 113.72 2pff h ARG 309 Ca 0.72 -0.05 0.15 0.00 -1.26 0.00 0.00 59.98 59.54 2pff h ARG 309 Cb 1.73 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 30.03 2pff h ARG 309 CO -0.79 1.03 0.47 0.00 0.56 0.00 0.00 179.97 181.23 2pff h TYR 311 N 0.29 0.13 0.00 0.00 3.20 -0.56 -1.75 116.97 118.27 2pff h TYR 311 Ca 0.33 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.19 2pff h TYR 311 Cb 0.89 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.13 2pff h TYR 311 CO -0.00 0.26 0.00 0.39 -1.64 0.00 0.00 178.16 177.17 2pff n GLU 312 N -4.32 0.93 0.00 1.82 1.02 0.17 -3.11 120.64 117.15 2pff n GLU 312 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2pff n GLU 312 Cb 0.24 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 2pff n GLU 312 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pff n ALA 313 N -0.90 0.00 -3.59 0.62 0.00 -0.66 -4.84 120.51 111.14 2pff n ALA 313 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.35 2pff n ALA 313 Cb 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.43 2pff n ALA 313 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2pff n TYR 314 N -0.06 1.61 -0.80 0.00 9.36 -1.26 -5.10 117.16 120.90 2pff n TYR 314 Ca 0.00 -3.89 -0.29 0.00 3.32 0.00 0.00 57.90 57.04 2pff n TYR 314 Cb 0.00 -0.30 0.21 0.00 -0.63 0.00 0.00 39.34 38.61 2pff n TYR 314 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2pff s PRO 315 N -1.11 -0.01 -0.86 2.98 0.04 -1.18 -4.78 135.00 130.08 2pff s PRO 315 Ca 0.31 0.88 -0.15 0.00 0.04 0.00 0.00 61.00 62.08 2pff s PRO 315 Cb 0.04 -1.66 -0.25 0.00 0.04 0.00 0.00 34.50 32.67 2pff s PRO 315 CO -0.15 -3.12 2.04 0.09 0.04 0.00 0.00 177.00 175.89 2pff n ASN 316 N -4.50 -0.69 -4.74 6.66 5.03 -1.26 -4.86 115.26 110.89 2pff n ASN 316 Ca 0.05 -0.23 -0.41 0.00 0.87 0.00 0.00 54.58 54.86 2pff n ASN 316 Cb 0.55 -0.59 -0.04 0.00 -1.02 0.00 0.00 39.78 38.68 2pff n ASN 316 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2pff s THR 317 N 2.98 3.97 -0.61 3.41 2.01 -1.26 -4.90 115.64 121.24 2pff s THR 317 Ca 1.15 1.76 -0.28 0.00 0.31 0.00 0.00 61.69 64.63 2pff s THR 317 Cb -0.87 -4.12 -0.11 0.00 0.01 0.00 0.00 72.50 67.41 2pff s THR 317 CO 0.46 0.33 2.47 -1.20 -0.69 0.00 0.00 174.62 176.00 2pff n SER 318 N 2.18 1.80 -4.73 3.53 7.64 -1.26 -4.88 113.62 117.89 2pff n SER 318 Ca 0.01 -0.25 -0.42 0.00 1.01 0.00 0.00 58.87 59.23 2pff n SER 318 Cb 0.47 -1.39 -0.02 0.00 -1.01 0.00 0.00 64.21 62.26 2pff n SER 318 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2pff n LEU 319 N 13.97 4.18 -4.68 -3.43 7.94 -1.26 -4.98 117.00 128.74 2pff n LEU 319 Ca 0.45 1.14 -0.42 0.00 -1.11 0.00 0.00 56.01 56.07 2pff n LEU 319 Cb 0.39 -1.57 -0.03 0.00 0.53 0.00 0.00 43.42 42.74 2pff n LEU 319 CO 0.77 0.06 0.75 -2.16 -1.11 0.00 0.00 177.39 175.71 2pff s PRO 320 N -0.46 4.36 0.36 1.96 0.04 -1.26 -4.94 135.00 135.05 2pff s PRO 320 Ca 0.65 1.27 0.03 0.00 0.04 0.00 0.00 61.00 62.99 2pff s PRO 320 Cb -0.52 -3.57 0.66 0.00 0.04 0.00 0.00 34.50 31.12 2pff s PRO 320 CO 0.48 -0.37 1.98 -1.00 0.04 0.00 0.00 177.00 178.14 2pff h PRO 321 N 7.22 0.70 -0.81 0.56 0.13 -1.98 -0.71 132.00 137.11 2pff h PRO 321 Ca -0.29 -0.07 0.23 0.00 -0.87 0.00 0.00 66.00 65.01 2pff h PRO 321 Cb 1.13 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 2pff h PRO 321 CO 0.87 0.52 1.13 0.77 -0.23 0.00 0.00 178.00 181.06 2pff h SER 322 N 0.71 0.00 0.00 1.44 0.02 -2.02 0.16 113.55 113.86 2pff h SER 322 Ca 0.18 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.93 2pff h SER 322 Cb 0.03 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2pff h SER 322 CO -0.03 0.00 -1.72 -0.38 -1.14 0.00 0.00 176.83 173.56 2pff n ILE 323 N -3.14 0.71 -0.36 3.27 5.41 -0.35 -4.54 119.36 120.37 2pff n ILE 323 Ca 0.18 -0.23 0.31 0.00 1.00 0.00 0.00 62.75 64.02 2pff n ILE 323 Cb 1.37 -1.30 0.53 0.00 -0.71 0.00 0.00 39.64 39.53 2pff n ILE 323 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2pff n LEU 324 N -3.22 0.19 0.00 1.39 7.94 0.51 -1.39 117.00 122.42 2pff n LEU 324 Ca -0.24 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.82 2pff n LEU 324 Cb 0.71 -0.57 0.00 0.00 0.53 0.00 0.00 43.42 44.09 2pff n LEU 324 CO 0.07 -1.26 0.10 1.21 -1.11 0.00 0.00 177.39 176.40 2pff n GLU 325 N -4.40 0.00 -0.28 1.96 4.07 -0.92 -2.17 120.64 118.90 2pff n GLU 325 Ca 0.32 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.52 2pff n GLU 325 Cb 1.22 -0.64 0.21 0.00 -0.06 0.00 0.00 31.44 32.17 2pff n GLU 325 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2pff n ASP 326 N -0.33 -0.14 -0.28 4.31 -0.08 -0.67 0.19 116.55 119.55 2pff n ASP 326 Ca 0.00 1.37 -0.06 0.00 -1.51 0.00 0.00 54.79 54.59 2pff n ASP 326 Cb 0.00 -0.48 0.07 0.00 2.34 0.00 0.00 41.12 43.06 2pff n ASP 326 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2pff h SER 327 N 0.00 1.08 0.70 1.67 4.64 -1.38 -1.50 113.55 118.77 2pff h SER 327 Ca 0.46 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2pff h SER 327 Cb 0.90 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2pff h SER 327 CO -0.77 0.97 0.00 -0.11 -0.87 0.00 0.00 176.83 176.05 2pff n LEU 328 N -4.27 0.18 -0.09 5.97 0.00 0.49 -1.80 117.00 117.48 2pff n LEU 328 Ca 0.07 0.54 -0.19 0.00 0.00 0.00 0.00 56.01 56.43 2pff n LEU 328 Cb 0.20 -0.50 -0.12 0.00 0.00 0.00 0.00 43.42 43.00 2pff n LEU 328 CO 0.41 -0.26 -0.16 -0.33 0.00 0.00 0.00 177.39 177.05 2pff h GLU 329 N 0.00 0.00 0.00 1.96 5.08 -0.22 -3.18 114.58 118.22 2pff h GLU 329 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2pff h GLU 329 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2pff h GLU 329 CO 0.00 1.00 0.00 -0.97 -1.00 0.00 0.00 179.01 178.04 2pff h ASN 330 N -0.99 0.00 -0.01 1.42 -0.00 -1.40 -3.44 115.58 111.16 2pff h ASN 330 Ca -0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.08 2pff h ASN 330 Cb 1.19 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.51 2pff h ASN 330 CO -0.12 0.00 -0.00 -3.20 -0.00 0.00 0.00 177.43 174.10 2pff n ASN 331 N -2.56 -3.10 -0.24 1.15 4.05 -0.90 -4.91 115.26 108.75 2pff n ASN 331 Ca -0.02 0.01 -0.01 0.00 0.45 0.00 0.00 54.58 55.01 2pff n ASN 331 Cb 0.05 -0.62 0.11 0.00 1.23 0.00 0.00 39.78 40.55 2pff n ASN 331 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 2pff h GLU 332 N 0.70 0.67 0.00 1.20 5.08 -1.64 -3.48 114.58 117.11 2pff h GLU 332 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2pff h GLU 332 Cb 0.04 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2pff h GLU 332 CO 0.01 0.44 0.00 0.41 -1.00 0.00 0.00 179.01 178.87 2pff n GLY 333 N -1.29 -1.62 0.00 -3.84 0.00 -1.14 -4.08 105.19 93.21 2pff n GLY 333 Ca 0.09 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2pff n GLY 333 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pff n VAL 334 N 0.00 0.00 -0.10 1.61 0.31 -1.26 -4.56 118.33 114.33 2pff n VAL 334 Ca 0.00 0.00 0.23 0.00 -0.01 0.00 0.00 64.34 64.56 2pff n VAL 334 Cb 0.00 0.00 0.43 0.00 -0.91 0.00 0.00 33.84 33.36 2pff n VAL 334 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2pff h PRO 335 N 0.00 0.00 0.00 5.55 0.13 -1.96 -3.42 132.00 132.31 2pff h PRO 335 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2pff h PRO 335 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2pff h PRO 335 CO 0.00 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.22 2pff n SER 336 N -3.19 0.00 -3.18 1.44 2.88 -1.26 -4.55 113.62 105.76 2pff n SER 336 Ca 0.18 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.54 2pff n SER 336 Cb 1.33 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.77 2pff n SER 336 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2pff n PRO 337 N 0.10 0.99 0.00 -1.46 -0.04 -1.26 -4.55 135.00 128.78 2pff n PRO 337 Ca 0.00 -1.07 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 2pff n PRO 337 Cb 0.00 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 2pff n PRO 337 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2pff n MET 338 N 5.17 0.00 -4.39 0.54 1.56 -1.26 -4.07 117.12 114.66 2pff n MET 338 Ca 0.27 0.00 -0.23 0.00 -0.27 0.00 0.00 57.70 57.47 2pff n MET 338 Cb 0.13 0.00 -0.13 0.00 2.15 0.00 0.00 33.22 35.37 2pff n MET 338 CO 0.00 0.00 0.00 -1.17 -0.73 0.00 0.00 175.97 174.07 2pff s LEU 339 N 0.00 2.24 -0.97 -0.89 2.96 0.25 -3.05 118.68 119.22 2pff s LEU 339 Ca 0.00 -0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 53.23 2pff s LEU 339 Cb 0.00 -0.84 0.24 0.00 0.50 0.00 0.00 46.19 46.09 2pff s LEU 339 CO 0.00 0.07 0.92 -0.55 -1.32 0.00 0.00 176.35 175.47 2pff s SER 340 N -1.58 6.71 -1.16 3.68 0.15 0.17 -0.19 113.70 121.48 2pff s SER 340 Ca 0.05 -3.44 -0.13 0.00 0.70 0.00 0.00 55.95 53.13 2pff s SER 340 Cb -0.09 -2.10 -0.07 0.00 -1.71 0.00 0.00 66.02 62.05 2pff s SER 340 CO 0.03 -0.31 2.27 -0.38 1.20 0.00 0.00 173.24 176.05 2pff n ILE 341 N 2.84 2.92 -0.24 6.45 5.41 -1.25 -4.34 119.36 131.15 2pff n ILE 341 Ca 0.20 -2.13 -0.12 0.00 1.00 0.00 0.00 62.75 61.71 2pff n ILE 341 Cb 0.40 -2.41 0.12 0.00 -0.71 0.00 0.00 39.64 37.04 2pff n ILE 341 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2pff n SER 342 N 5.47 -2.63 -2.85 4.38 2.88 -1.16 -3.97 113.62 115.74 2pff n SER 342 Ca 0.55 -0.36 -0.06 0.00 -1.33 0.00 0.00 58.87 57.67 2pff n SER 342 Cb 0.29 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 2pff n SER 342 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2pff n ASN 343 N -2.53 -1.15 -0.74 -3.46 5.15 -1.26 -4.65 115.26 106.61 2pff n ASN 343 Ca 0.06 -0.24 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 2pff n ASN 343 Cb 0.24 -0.39 0.00 0.00 -0.53 0.00 0.00 39.78 39.11 2pff n ASN 343 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2pff n LEU 344 N -1.05 0.00 -4.22 1.20 -0.00 -1.26 -4.75 117.00 106.92 2pff n LEU 344 Ca -0.08 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.73 2pff n LEU 344 Cb 0.17 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.47 2pff n LEU 344 CO 0.16 0.00 -0.47 -0.89 -0.00 0.00 0.00 177.39 176.18 2pff s THR 345 N -2.59 1.33 1.34 1.96 2.01 -1.26 -4.20 115.64 114.24 2pff s THR 345 Ca 0.00 -1.45 -0.19 0.00 0.31 0.00 0.00 61.69 60.36 2pff s THR 345 Cb 0.00 -1.30 0.35 0.00 0.01 0.00 0.00 72.50 71.56 2pff s THR 345 CO 0.00 -0.21 0.95 -1.58 -0.69 0.00 0.00 174.62 173.09 2pff s GLN 346 N -1.96 -2.33 0.00 4.92 0.74 -1.26 0.11 119.66 119.87 2pff s GLN 346 Ca 0.03 0.46 0.00 0.00 0.05 0.00 0.00 55.36 55.90 2pff s GLN 346 Cb -0.09 -1.42 0.00 0.00 1.10 0.00 0.00 33.01 32.60 2pff s GLN 346 CO 0.03 -4.56 0.00 -1.91 -0.55 0.00 0.00 175.29 168.30 2pff n GLU 347 N -5.46 0.00 0.16 1.67 2.13 -1.26 -3.78 120.64 114.10 2pff n GLU 347 Ca 0.08 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.76 2pff n GLU 347 Cb 0.57 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.22 2pff n GLU 347 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2pff h GLN 348 N 0.00 -0.42 -0.72 5.31 4.20 -1.84 2.93 115.11 124.57 2pff h GLN 348 Ca 0.00 0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.83 2pff h GLN 348 Cb 0.00 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.83 2pff h GLN 348 CO 0.00 -0.28 0.47 0.28 -0.67 0.00 0.00 178.83 178.63 2pff h VAL 349 N -0.44 0.94 0.00 -0.54 2.07 0.64 -3.14 116.25 115.78 2pff h VAL 349 Ca -0.01 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2pff h VAL 349 Cb 0.39 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2pff h VAL 349 CO -0.01 0.11 0.00 1.67 0.02 0.00 0.00 177.57 179.36 2pff n GLN 350 N -4.49 0.00 -0.01 1.57 -0.06 0.14 -2.75 117.38 111.79 2pff n GLN 350 Ca 0.12 0.24 -0.00 0.00 -2.00 0.00 0.00 57.00 55.35 2pff n GLN 350 Cb 0.33 -1.07 -0.00 0.00 -4.06 0.00 0.00 30.24 25.44 2pff n GLN 350 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2pff n ASP 351 N -1.22 -0.03 0.08 1.69 8.00 0.93 0.35 116.55 126.36 2pff n ASP 351 Ca 0.00 0.05 -0.13 0.00 0.71 0.00 0.00 54.79 55.42 2pff n ASP 351 Cb 0.00 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.02 2pff n ASP 351 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2pff h TYR 352 N 0.00 -1.14 -0.58 1.24 0.99 -1.66 -1.43 116.97 114.40 2pff h TYR 352 Ca 0.00 0.03 0.08 0.00 2.00 0.00 0.00 58.73 60.85 2pff h TYR 352 Cb 0.01 0.49 -0.10 0.00 1.00 0.00 0.00 36.73 38.13 2pff h TYR 352 CO -0.03 -0.49 -0.45 0.28 -0.00 0.00 0.00 178.16 177.47 2pff h VAL 353 N -0.59 0.08 0.00 -2.88 2.07 0.63 -2.62 116.25 112.94 2pff h VAL 353 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2pff h VAL 353 Cb 0.65 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2pff h VAL 353 CO -0.28 0.00 0.00 0.59 0.02 0.00 0.00 177.57 177.90 2pff n ASN 354 N -5.40 0.00 -0.13 0.57 3.02 0.14 -1.65 115.26 111.82 2pff n ASN 354 Ca 0.01 0.10 0.13 0.00 -0.03 0.00 0.00 54.58 54.78 2pff n ASN 354 Cb 0.35 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.75 2pff n ASN 354 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2pff n LYS 355 N -0.19 -0.02 0.44 3.52 5.02 -0.91 0.30 118.16 126.31 2pff n LYS 355 Ca 0.00 0.53 -0.18 0.00 -2.02 0.00 0.00 58.31 56.64 2pff n LYS 355 Cb 0.00 -0.96 -0.09 0.00 -0.02 0.00 0.00 35.03 33.96 2pff n LYS 355 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2pff h THR 356 N 0.00 0.07 -0.81 -0.18 2.02 -0.92 -3.05 112.91 110.03 2pff h THR 356 Ca 0.33 -0.14 0.11 0.00 0.77 0.00 0.00 66.41 67.48 2pff h THR 356 Cb 0.88 0.08 -0.08 0.00 -1.74 0.00 0.00 68.15 67.29 2pff h THR 356 CO -0.30 0.00 0.44 0.78 0.37 0.00 0.00 175.52 176.82 2pff h ASN 357 N -1.25 0.60 -0.27 4.18 2.35 0.29 -2.84 115.58 118.64 2pff h ASN 357 Ca -0.11 0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2pff h ASN 357 Cb 0.87 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.16 2pff h ASN 357 CO 0.19 0.32 -0.16 -1.20 -1.65 0.00 0.00 177.43 174.93 2pff n SER 358 N -4.80 -0.28 0.09 5.81 7.64 -0.85 0.15 113.62 121.38 2pff n SER 358 Ca 0.14 0.52 0.06 0.00 1.01 0.00 0.00 58.87 60.60 2pff n SER 358 Cb 0.32 -0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.42 2pff n SER 358 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2pff h HIS 359 N 0.00 0.00 -3.58 1.43 3.86 -1.66 -3.46 115.15 111.73 2pff h HIS 359 Ca 0.04 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.73 2pff h HIS 359 Cb 0.11 0.00 0.04 0.00 1.06 0.00 0.00 27.41 28.62 2pff h HIS 359 CO -0.32 0.29 0.62 -0.51 0.86 0.00 0.00 177.93 178.88 2pff s LEU 360 N -5.73 4.44 0.78 2.43 1.43 0.39 -4.99 118.68 117.43 2pff s LEU 360 Ca -0.00 2.46 -0.14 0.00 -1.03 0.00 0.00 54.13 55.41 2pff s LEU 360 Cb 0.09 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.74 2pff s LEU 360 CO 0.78 -0.47 1.15 -2.65 0.23 0.00 0.00 176.35 175.39 2pff n PRO 361 N 1.91 0.34 -0.07 1.29 -0.02 -1.26 -4.80 135.00 132.40 2pff n PRO 361 Ca 0.03 0.19 -0.13 0.00 -2.02 0.00 0.00 63.50 61.57 2pff n PRO 361 Cb 0.43 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.44 2pff n PRO 361 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pff h ALA 362 N -0.63 -0.68 -0.71 3.55 0.00 -1.94 -2.76 119.26 116.10 2pff h ALA 362 Ca -0.47 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.58 2pff h ALA 362 Cb 1.31 0.95 -0.10 0.00 0.00 0.00 0.00 17.79 19.95 2pff h ALA 362 CO 0.47 -0.99 0.19 0.78 0.00 0.00 0.00 179.25 179.70 2pff h GLY 363 N -0.46 0.99 1.10 0.00 0.00 -1.96 -1.31 103.07 101.44 2pff h GLY 363 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2pff h GLY 363 CO -0.50 -0.16 -0.00 0.28 0.00 0.00 0.00 176.54 176.15 2pff n LYS 364 N -5.12 0.88 -0.41 4.80 5.02 -1.09 -4.89 118.16 117.34 2pff n LYS 364 Ca 0.13 -0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 56.11 2pff n LYS 364 Cb 0.42 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 34.19 2pff n LYS 364 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2pff n GLN 365 N -1.05 -3.27 -3.91 1.97 6.02 -0.49 -4.59 117.38 112.06 2pff n GLN 365 Ca 0.22 -0.95 -0.11 0.00 -0.01 0.00 0.00 57.00 56.15 2pff n GLN 365 Cb 0.15 -1.98 -0.12 0.00 1.02 0.00 0.00 30.24 29.30 2pff n GLN 365 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2pff s VAL 366 N -2.26 0.05 0.39 5.09 1.01 -1.26 -4.62 120.40 118.80 2pff s VAL 366 Ca 0.65 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 62.25 2pff s VAL 366 Cb -0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 2pff s VAL 366 CO 0.61 -0.25 0.45 -0.70 0.00 0.00 0.00 175.10 175.22 2pff s GLU 367 N -0.75 2.78 -1.19 2.72 2.12 -1.07 -4.97 118.70 118.35 2pff s GLU 367 Ca -0.08 -1.29 -0.12 0.00 0.36 0.00 0.00 54.97 53.84 2pff s GLU 367 Cb -0.05 -2.62 0.20 0.00 0.26 0.00 0.00 34.13 31.92 2pff s GLU 367 CO -0.00 -0.13 1.37 1.51 -0.54 0.00 0.00 175.26 177.47 2pff n ILE 368 N -1.65 4.36 -0.23 -3.70 3.06 -1.26 -2.16 119.36 117.78 2pff n ILE 368 Ca 0.04 -4.91 -0.06 0.00 -2.50 0.00 0.00 62.75 55.32 2pff n ILE 368 Cb 0.60 -2.49 -0.05 0.00 0.54 0.00 0.00 39.64 38.24 2pff n ILE 368 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 2pff n SER 369 N 4.71 -0.57 -3.80 9.51 7.64 -0.71 -4.76 113.62 125.64 2pff n SER 369 Ca 0.33 0.98 -0.25 0.00 1.01 0.00 0.00 58.87 60.94 2pff n SER 369 Cb 0.41 -0.13 -0.07 0.00 -1.01 0.00 0.00 64.21 63.41 2pff n SER 369 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2pff n LEU 370 N -4.69 0.00 -0.66 -3.43 4.77 0.13 -4.35 117.00 108.76 2pff n LEU 370 Ca 0.01 -3.15 -0.00 0.00 -0.03 0.00 0.00 56.01 52.84 2pff n LEU 370 Cb 0.15 1.13 -0.01 0.00 -2.33 0.00 0.00 43.42 42.36 2pff n LEU 370 CO -0.09 -0.49 0.24 0.52 -1.33 0.00 0.00 177.39 176.24 2pff n VAL 371 N -0.89 0.00 -1.85 4.08 0.31 -1.26 -3.93 118.33 114.79 2pff n VAL 371 Ca -0.04 -0.10 -0.41 0.00 -0.01 0.00 0.00 64.34 63.77 2pff n VAL 371 Cb 0.62 0.35 -0.02 0.00 -0.91 0.00 0.00 33.84 33.88 2pff n VAL 371 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2pff s ASN 372 N -0.70 6.46 0.00 4.52 4.22 -1.26 -4.42 114.94 123.76 2pff s ASN 372 Ca 0.04 2.87 0.00 0.00 -2.14 0.00 0.00 52.86 53.62 2pff s ASN 372 Cb 0.04 -2.63 0.00 0.00 1.28 0.00 0.00 41.25 39.94 2pff s ASN 372 CO -0.02 -0.85 0.00 0.61 -2.04 0.00 0.00 177.10 174.81 2pff n GLY 373 N 2.11 -0.85 0.08 0.45 0.00 -1.26 -3.87 105.19 101.84 2pff n GLY 373 Ca 0.07 -1.66 0.12 0.00 0.00 0.00 0.00 46.02 44.55 2pff n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pff n ALA 374 N -0.98 2.78 -0.01 4.61 0.00 -1.26 -4.56 120.51 121.09 2pff n ALA 374 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 53.44 53.15 2pff n ALA 374 Cb 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 2pff n ALA 374 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2pff n LYS 375 N -2.40 0.09 -1.05 0.00 2.85 -1.26 -4.81 118.16 111.58 2pff n LYS 375 Ca 0.01 0.04 -0.35 0.00 -1.05 0.00 0.00 58.31 56.95 2pff n LYS 375 Cb 0.50 -0.49 -0.02 0.00 -0.65 0.00 0.00 35.03 34.38 2pff n LYS 375 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2pff n ASN 376 N -3.01 -1.44 -2.73 -5.58 3.02 -1.25 -4.18 115.26 100.09 2pff n ASN 376 Ca -0.02 0.78 -0.06 0.00 -0.03 0.00 0.00 54.58 55.24 2pff n ASN 376 Cb 0.09 -0.71 0.05 0.00 -0.61 0.00 0.00 39.78 38.59 2pff n ASN 376 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2pff n LEU 377 N 1.64 -2.49 -4.60 3.41 4.77 -1.25 -4.22 117.00 114.25 2pff n LEU 377 Ca 0.12 -2.76 -0.40 0.00 -0.03 0.00 0.00 56.01 52.94 2pff n LEU 377 Cb 0.24 0.74 0.02 0.00 -2.33 0.00 0.00 43.42 42.09 2pff n LEU 377 CO 0.43 1.84 0.55 0.52 -1.33 0.00 0.00 177.39 179.40 2pff n VAL 378 N 1.81 2.68 -4.22 4.08 0.31 -1.25 -3.92 118.33 117.81 2pff n VAL 378 Ca 0.08 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.78 2pff n VAL 378 Cb 0.64 -1.14 -0.10 0.00 -0.91 0.00 0.00 33.84 32.34 2pff n VAL 378 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2pff s VAL 379 N -1.35 0.85 0.04 2.52 1.01 0.73 -0.69 120.40 123.51 2pff s VAL 379 Ca 0.66 -1.99 -0.27 0.00 0.00 0.00 0.00 61.98 60.38 2pff s VAL 379 Cb -0.52 -1.90 0.08 0.00 0.00 0.00 0.00 36.38 34.04 2pff s VAL 379 CO 0.55 -0.68 0.70 -0.55 0.00 0.00 0.00 175.10 175.12 2pff s SER 380 N -3.14 -0.55 0.00 3.32 0.15 -0.92 0.86 113.70 113.42 2pff s SER 380 Ca 0.18 0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.09 2pff s SER 380 Cb 0.05 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 2pff s SER 380 CO 0.00 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.30 2pff n GLY 381 N 0.14 0.91 3.46 9.45 0.00 -1.26 -2.59 105.19 115.31 2pff n GLY 381 Ca -0.16 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 2pff n GLY 381 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pff n PRO 382 N 0.00 0.20 -0.17 1.61 -0.04 -1.26 -4.56 135.00 130.78 2pff n PRO 382 Ca 0.00 0.11 -0.05 0.00 -0.04 0.00 0.00 63.50 63.52 2pff n PRO 382 Cb 0.00 -1.84 0.01 0.00 -0.04 0.00 0.00 33.50 31.63 2pff n PRO 382 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2pff h PRO 383 N -0.58 -0.16 0.00 0.54 0.13 -1.90 -3.22 132.00 126.81 2pff h PRO 383 Ca -0.45 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2pff h PRO 383 Cb 1.34 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2pff h PRO 383 CO 0.41 -0.10 0.00 1.04 -0.23 0.00 0.00 178.00 179.12 2pff n GLN 384 N -5.43 0.00 0.00 0.86 6.02 -1.26 -3.34 117.38 114.23 2pff n GLN 384 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2pff n GLN 384 Cb 0.34 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.60 2pff n GLN 384 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2pff n SER 385 N 0.00 0.00 -0.35 1.08 3.41 -1.25 0.50 113.62 117.01 2pff n SER 385 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 2pff n SER 385 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 2pff n SER 385 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2pff n LEU 386 N 0.00 -0.65 -0.22 1.04 0.00 -1.21 0.13 117.00 116.08 2pff n LEU 386 Ca 0.00 1.57 -0.06 0.00 0.00 0.00 0.00 56.01 57.52 2pff n LEU 386 Cb 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 43.42 43.13 2pff n LEU 386 CO 0.00 -1.38 1.11 0.22 0.00 0.00 0.00 177.39 177.33 2pff h TYR 387 N 0.00 0.82 0.00 1.96 3.20 -0.03 -1.05 116.97 121.87 2pff h TYR 387 Ca 0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.15 2pff h TYR 387 Cb 0.51 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2pff h TYR 387 CO -0.81 0.55 0.23 0.78 -1.64 0.00 0.00 178.16 177.27 2pff h GLY 388 N 0.85 0.00 0.39 1.82 0.00 0.91 1.85 103.07 108.89 2pff h GLY 388 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.26 2pff h GLY 388 CO -0.04 0.00 -1.56 -2.00 0.00 0.00 0.00 176.54 172.93 2pff h LEU 389 N 0.00 0.27 -1.99 3.11 5.85 -0.23 -3.28 115.31 119.04 2pff h LEU 389 Ca 0.00 -0.78 0.18 0.00 0.84 0.00 0.00 57.88 58.12 2pff h LEU 389 Cb 0.46 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2pff h LEU 389 CO 0.00 1.66 0.49 0.78 -0.34 0.00 0.00 178.44 181.03 2pff h ASN 390 N -0.40 0.00 0.00 1.25 2.35 0.33 0.53 115.58 119.65 2pff h ASN 390 Ca -0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2pff h ASN 390 Cb 1.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.07 2pff h ASN 390 CO -0.02 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.94 2pff n LEU 391 N -4.14 0.00 -0.20 1.61 4.77 0.62 0.93 117.00 120.58 2pff n LEU 391 Ca 0.12 0.59 0.20 0.00 -0.03 0.00 0.00 56.01 56.89 2pff n LEU 391 Cb 0.74 -0.09 0.55 0.00 -2.33 0.00 0.00 43.42 42.29 2pff n LEU 391 CO 0.35 -0.09 1.22 0.71 -1.33 0.00 0.00 177.39 178.25 2pff h THR 392 N 0.00 0.69 -0.42 -5.08 1.35 -1.58 -0.84 112.91 107.03 2pff h THR 392 Ca 0.00 -0.11 0.07 0.00 -0.55 0.00 0.00 66.41 65.82 2pff h THR 392 Cb 0.00 0.34 -0.06 0.00 -1.73 0.00 0.00 68.15 66.70 2pff h THR 392 CO 0.00 0.06 0.08 0.25 -0.25 0.00 0.00 175.52 175.66 2pff h LEU 393 N 0.32 -0.00 0.19 3.87 5.85 0.62 -3.15 115.31 123.01 2pff h LEU 393 Ca 0.43 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.21 2pff h LEU 393 Cb 1.16 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2pff h LEU 393 CO -0.13 0.03 -0.09 0.03 -0.34 0.00 0.00 178.44 177.94 2pff h ARG 394 N 0.21 -0.25 -5.61 1.25 3.08 0.20 -3.33 114.38 109.93 2pff h ARG 394 Ca 0.20 0.02 -0.46 0.00 0.07 0.00 0.00 59.98 59.81 2pff h ARG 394 Cb 0.25 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.37 2pff h ARG 394 CO -0.27 -0.17 1.64 1.63 -1.07 0.00 0.00 179.97 181.73 2pff n LYS 395 N -2.73 1.04 0.00 0.04 5.02 -1.15 0.74 118.16 121.12 2pff n LYS 395 Ca -0.03 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2pff n LYS 395 Cb 0.10 -3.44 0.00 0.00 -0.02 0.00 0.00 35.03 31.67 2pff n LYS 395 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pff n ALA 396 N 15.91 0.00 -1.77 7.82 0.00 -1.26 -4.86 120.51 136.35 2pff n ALA 396 Ca 0.37 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.42 2pff n ALA 396 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 2pff n ALA 396 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2pff s LYS 397 N 0.00 4.02 -0.08 0.00 2.20 0.23 -4.64 119.74 121.47 2pff s LYS 397 Ca 0.00 2.07 -0.10 0.00 -0.36 0.00 0.00 55.97 57.57 2pff s LYS 397 Cb 0.00 -2.76 -0.05 0.00 -1.51 0.00 0.00 37.83 33.52 2pff s LYS 397 CO 0.00 -0.42 0.25 0.00 -0.36 0.00 0.00 175.35 174.82 2pff s ALA 398 N -1.29 3.80 -2.00 3.13 0.00 -1.10 -4.99 121.76 119.30 2pff s ALA 398 Ca 0.56 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.07 2pff s ALA 398 Cb -0.36 -2.15 0.13 0.00 0.00 0.00 0.00 23.12 20.74 2pff s ALA 398 CO 0.46 0.54 0.43 -0.35 0.00 0.00 0.00 175.76 176.85 2pff n PRO 399 N 2.00 0.24 -1.52 0.00 -0.04 -1.26 -4.78 135.00 129.64 2pff n PRO 399 Ca -0.17 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.20 2pff n PRO 399 Cb 0.54 -1.14 -0.03 0.00 -0.04 0.00 0.00 33.50 32.83 2pff n PRO 399 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2pff n SER 400 N -0.64 -3.74 -4.56 3.54 3.41 -1.26 -5.00 113.62 105.36 2pff n SER 400 Ca 0.02 0.15 -0.41 0.00 -0.26 0.00 0.00 58.87 58.37 2pff n SER 400 Cb 0.01 -2.31 -0.09 0.00 -0.26 0.00 0.00 64.21 61.56 2pff n SER 400 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2pff s GLY 401 N -2.82 1.86 0.00 5.00 0.00 -1.26 -4.98 107.32 105.13 2pff s GLY 401 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.68 2pff s GLY 401 CO 0.00 1.10 0.00 1.04 0.00 0.00 0.00 173.10 175.24 2pff n LEU 402 N 5.51 0.00 0.00 0.66 4.77 -1.26 -4.85 117.00 121.83 2pff n LEU 402 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2pff n LEU 402 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2pff n LEU 402 CO 0.41 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.57 2pff n ASP 403 N 0.00 0.00 0.17 -1.43 5.75 -1.26 -4.78 116.55 115.00 2pff n ASP 403 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 54.79 54.87 2pff n ASP 403 Cb 0.00 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.18 2pff n ASP 403 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 2pff h GLN 404 N 0.00 0.00 -1.70 0.11 4.15 -1.88 -3.25 115.11 112.54 2pff h GLN 404 Ca 0.00 0.00 0.49 0.00 0.77 0.00 0.00 58.65 59.91 2pff h GLN 404 Cb 0.00 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.62 2pff h GLN 404 CO 0.00 0.14 1.28 0.77 -1.93 0.00 0.00 178.83 179.09 2pff h SER 405 N 0.00 0.00 -2.86 -0.69 0.02 -1.92 -3.13 113.55 104.97 2pff h SER 405 Ca -0.01 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.44 2pff h SER 405 Cb 1.13 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.27 2pff h SER 405 CO 0.02 0.00 -0.77 -0.13 -1.14 0.00 0.00 176.83 174.81 2pff s ARG 406 N -4.82 0.15 0.00 3.45 1.81 -1.22 -5.01 118.95 113.30 2pff s ARG 406 Ca -0.05 -0.37 0.00 0.00 -1.72 0.00 0.00 55.73 53.59 2pff s ARG 406 Cb 0.25 -1.37 0.00 0.00 -0.45 0.00 0.00 34.95 33.37 2pff s ARG 406 CO 0.83 -0.90 0.00 -0.89 -0.68 0.00 0.00 175.30 173.65 2pff n ILE 407 N 5.26 0.00 0.00 1.52 5.41 -1.18 -4.98 119.36 125.39 2pff n ILE 407 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.69 2pff n ILE 407 Cb 0.44 -0.90 0.00 0.00 -0.71 0.00 0.00 39.64 38.48 2pff n ILE 407 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2pff n PRO 408 N 1.77 0.00 -0.14 0.38 -0.04 -1.25 -4.69 135.00 131.02 2pff n PRO 408 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 2pff n PRO 408 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 2pff n PRO 408 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2pff n PHE 409 N 0.00 0.00 0.00 0.54 3.01 -1.26 -1.59 117.46 118.16 2pff n PHE 409 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2pff n PHE 409 Cb 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.42 2pff n PHE 409 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2pff n SER 410 N 0.53 0.00 0.00 4.37 2.88 -1.26 -4.81 113.62 115.33 2pff n SER 410 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2pff n SER 410 Cb 0.01 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 2pff n SER 410 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2pff n GLU 411 N 0.00 1.42 -1.18 -1.46 1.02 -0.62 -5.09 120.64 114.73 2pff n GLU 411 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 2pff n GLU 411 Cb 0.00 -0.83 -0.01 0.00 -0.02 0.00 0.00 31.44 30.58 2pff n GLU 411 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2pff n ARG 412 N -1.80 0.00 -3.68 3.49 0.63 -1.14 -4.97 116.66 109.19 2pff n ARG 412 Ca 0.00 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.73 2pff n ARG 412 Cb 0.33 -0.90 -0.02 0.00 0.45 0.00 0.00 32.46 32.32 2pff n ARG 412 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2pff s LYS 413 N -0.90 3.04 1.09 -0.14 1.02 -1.26 -4.87 119.74 117.71 2pff s LYS 413 Ca 0.54 -1.06 -0.14 0.00 0.02 0.00 0.00 55.97 55.32 2pff s LYS 413 Cb -0.61 -2.71 0.23 0.00 -0.52 0.00 0.00 37.83 34.22 2pff s LYS 413 CO 0.55 0.15 1.08 -0.51 -0.92 0.00 0.00 175.35 175.70 2pff s LEU 414 N -4.07 1.15 0.01 3.17 1.43 -1.26 -4.89 118.68 114.22 2pff s LEU 414 Ca 0.41 1.07 0.00 0.00 -1.03 0.00 0.00 54.13 54.58 2pff s LEU 414 Cb -0.08 -3.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.05 2pff s LEU 414 CO 0.29 -3.61 -0.02 -0.54 0.23 0.00 0.00 176.35 172.70 2pff s LYS 415 N -5.00 0.18 0.00 1.70 1.02 -1.26 -2.72 119.74 113.66 2pff s LYS 415 Ca 0.67 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.33 2pff s LYS 415 Cb -0.17 0.03 0.00 0.00 -0.52 0.00 0.00 37.83 37.16 2pff s LYS 415 CO 0.58 -0.02 0.00 1.19 -0.92 0.00 0.00 175.35 176.18 2pff n PHE 416 N 2.30 0.00 0.00 3.18 3.01 -1.26 -4.84 117.46 119.85 2pff n PHE 416 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.28 2pff n PHE 416 Cb 0.57 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.04 2pff n PHE 416 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2pff n SER 417 N 0.00 0.00 -0.98 4.37 2.88 -1.26 -4.74 113.62 113.89 2pff n SER 417 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 2pff n SER 417 Cb 0.00 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 63.73 2pff n SER 417 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2pff n ASN 418 N 0.00 3.93 -4.68 -3.46 5.03 -1.26 -3.00 115.26 111.82 2pff n ASN 418 Ca 0.00 -3.06 -0.31 0.00 0.87 0.00 0.00 54.58 52.08 2pff n ASN 418 Cb 0.00 -0.56 0.16 0.00 -1.02 0.00 0.00 39.78 38.36 2pff n ASN 418 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2pff s ARG 419 N -2.86 1.06 0.47 3.52 1.70 -1.26 -4.60 118.95 116.98 2pff s ARG 419 Ca 0.43 1.43 0.08 0.00 -0.47 0.00 0.00 55.73 57.20 2pff s ARG 419 Cb 0.35 -1.74 0.02 0.00 -0.57 0.00 0.00 34.95 33.01 2pff s ARG 419 CO 0.09 -2.56 0.52 -0.06 -1.08 0.00 0.00 175.30 172.21 2pff s PHE 420 N -2.68 2.25 0.43 5.89 0.08 -1.26 -0.66 117.98 122.04 2pff s PHE 420 Ca 0.66 -0.58 0.06 0.00 0.12 0.00 0.00 56.93 57.19 2pff s PHE 420 Cb -0.22 -2.18 -0.05 0.00 -0.57 0.00 0.00 43.02 40.00 2pff s PHE 420 CO 0.58 -0.48 0.13 -0.51 -0.10 0.00 0.00 175.22 174.84 2pff s LEU 421 N -4.33 2.94 -1.25 -0.37 1.43 -1.17 -4.85 118.68 111.08 2pff s LEU 421 Ca 0.50 -1.23 -0.19 0.00 -1.03 0.00 0.00 54.13 52.18 2pff s LEU 421 Cb -0.05 -1.19 0.07 0.00 0.03 0.00 0.00 46.19 45.04 2pff s LEU 421 CO 0.30 -0.59 1.69 -2.16 0.23 0.00 0.00 176.35 175.83 2pff s PRO 422 N -3.87 3.92 -0.26 1.29 0.04 -1.26 -4.83 135.00 130.02 2pff s PRO 422 Ca 0.35 -1.85 -0.02 0.00 0.04 0.00 0.00 61.00 59.53 2pff s PRO 422 Cb 0.05 -5.51 0.14 0.00 0.04 0.00 0.00 34.50 29.22 2pff s PRO 422 CO 0.19 -2.26 0.40 0.08 0.04 0.00 0.00 177.00 175.45 2pff s VAL 423 N 4.38 -0.63 0.42 -0.36 1.01 -1.26 -4.85 120.40 119.11 2pff s VAL 423 Ca 0.53 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.47 2pff s VAL 423 Cb 0.03 -0.86 0.27 0.00 0.00 0.00 0.00 36.38 35.82 2pff s VAL 423 CO 0.05 -0.15 2.06 0.00 0.00 0.00 0.00 175.10 177.06 2pff h ALA 424 N 8.17 1.76 -1.77 5.51 0.00 -1.89 -3.40 119.26 127.63 2pff h ALA 424 Ca -0.17 -0.02 -0.53 0.00 0.00 0.00 0.00 54.91 54.18 2pff h ALA 424 Cb 1.15 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 2pff h ALA 424 CO 0.27 0.21 -0.49 -1.12 0.00 0.00 0.00 179.25 178.12 2pff s SER 425 N -6.68 4.81 -1.09 0.00 0.01 -1.26 -4.72 113.70 104.77 2pff s SER 425 Ca -0.08 -0.76 -0.06 0.00 1.31 0.00 0.00 55.95 56.36 2pff s SER 425 Cb 0.18 -0.71 0.29 0.00 0.21 0.00 0.00 66.02 65.99 2pff s SER 425 CO 0.73 -0.40 1.31 -0.81 0.41 0.00 0.00 173.24 174.47 2pff n PRO 426 N -1.27 4.03 -0.70 12.44 -0.04 -1.26 -4.86 135.00 143.34 2pff n PRO 426 Ca -0.01 -4.51 -0.32 0.00 -0.04 0.00 0.00 63.50 58.62 2pff n PRO 426 Cb 0.62 -2.53 0.16 0.00 -0.04 0.00 0.00 33.50 31.71 2pff n PRO 426 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2pff n PHE 427 N 1.95 -0.54 -3.58 0.54 3.01 -1.26 -3.68 117.46 113.90 2pff n PHE 427 Ca 0.25 0.24 -0.26 0.00 1.01 0.00 0.00 57.45 58.69 2pff n PHE 427 Cb 0.36 -1.84 0.01 0.00 -0.01 0.00 0.00 39.48 38.01 2pff n PHE 427 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 2pff n HIS 428 N -4.10 -2.43 -4.42 1.38 8.25 -0.67 -4.92 115.22 108.30 2pff n HIS 428 Ca 0.08 1.00 -0.22 0.00 -0.26 0.00 0.00 57.72 58.31 2pff n HIS 428 Cb 0.54 -2.66 -0.06 0.00 1.12 0.00 0.00 29.99 28.92 2pff n HIS 428 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2pff n SER 429 N -1.63 0.97 -1.21 0.41 3.41 -1.24 -4.63 113.62 109.71 2pff n SER 429 Ca -0.19 -2.93 0.09 0.00 -0.26 0.00 0.00 58.87 55.59 2pff n SER 429 Cb 0.66 0.98 0.29 0.00 -0.26 0.00 0.00 64.21 65.88 2pff n SER 429 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2pff n HIS 430 N -0.78 0.99 -0.50 7.33 8.25 -1.26 -4.19 115.22 125.07 2pff n HIS 430 Ca -0.04 -0.55 0.00 0.00 -0.26 0.00 0.00 57.72 56.87 2pff n HIS 430 Cb 0.54 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.56 2pff n HIS 430 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 2pff n LEU 431 N 1.08 0.00 -3.54 2.41 -0.00 -1.26 -4.89 117.00 110.80 2pff n LEU 431 Ca 0.21 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.86 2pff n LEU 431 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 44.08 2pff n LEU 431 CO 0.16 0.00 0.94 -0.11 -0.00 0.00 0.00 177.39 178.39 2pff n LEU 432 N 0.00 6.14 0.00 1.47 7.94 -1.26 -4.54 117.00 126.75 2pff n LEU 432 Ca 0.00 -5.42 0.00 0.00 -1.11 0.00 0.00 56.01 49.48 2pff n LEU 432 Cb 0.12 -1.00 0.00 0.00 0.53 0.00 0.00 43.42 43.06 2pff n LEU 432 CO 0.00 2.04 -0.00 0.52 -1.11 0.00 0.00 177.39 178.84 2pff n VAL 433 N 0.30 0.00 0.18 1.96 0.31 -1.26 -4.36 118.33 115.47 2pff n VAL 433 Ca 0.37 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.86 2pff n VAL 433 Cb 0.32 -0.40 0.64 0.00 -0.91 0.00 0.00 33.84 33.49 2pff n VAL 433 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2pff h PRO 434 N 0.00 0.00 0.00 5.55 0.13 -1.96 0.92 132.00 136.64 2pff h PRO 434 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2pff h PRO 434 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2pff h PRO 434 CO 0.00 0.00 -1.27 0.00 -0.23 0.00 0.00 178.00 176.50 2pff n ALA 435 N -2.03 3.63 0.12 -0.56 0.00 -1.26 -4.64 120.51 115.77 2pff n ALA 435 Ca 0.05 -0.48 -0.10 0.00 0.00 0.00 0.00 53.44 52.91 2pff n ALA 435 Cb 0.69 -0.64 -0.06 0.00 0.00 0.00 0.00 19.45 19.44 2pff n ALA 435 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2pff h SER 436 N 0.00 -0.85 -1.03 0.00 4.64 0.63 -2.48 113.55 114.47 2pff h SER 436 Ca 0.00 0.08 0.26 0.00 -0.47 0.00 0.00 61.79 61.66 2pff h SER 436 Cb 0.60 0.30 -0.11 0.00 -0.31 0.00 0.00 62.40 62.87 2pff h SER 436 CO 0.00 -0.35 0.63 -0.78 -0.87 0.00 0.00 176.83 175.46 2pff h ASP 437 N -0.51 0.58 -0.63 4.97 1.82 -1.82 -0.72 116.42 120.10 2pff h ASP 437 Ca -0.02 0.12 0.11 0.00 -0.39 0.00 0.00 57.03 56.85 2pff h ASP 437 Cb 0.47 0.03 -0.08 0.00 0.68 0.00 0.00 39.33 40.43 2pff h ASP 437 CO -0.10 0.08 0.21 0.25 -1.61 0.00 0.00 179.24 178.08 2pff h LEU 438 N 0.49 0.18 -1.06 2.28 6.46 -1.71 -0.71 115.31 121.24 2pff h LEU 438 Ca 0.64 0.09 0.02 0.00 -0.12 0.00 0.00 57.88 58.51 2pff h LEU 438 Cb 1.39 0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 41.36 2pff h LEU 438 CO -0.42 0.10 0.64 0.16 -0.62 0.00 0.00 178.44 178.30 2pff h ILE 439 N 0.38 1.23 -0.51 4.05 3.07 -1.04 0.38 117.51 125.06 2pff h ILE 439 Ca 0.33 -0.44 0.10 0.00 1.55 0.00 0.00 64.86 66.40 2pff h ILE 439 Cb 0.45 -0.17 -0.10 0.00 -0.27 0.00 0.00 36.82 36.73 2pff h ILE 439 CO -0.35 0.23 -0.22 0.78 -1.05 0.00 0.00 178.15 177.54 2pff h ASN 440 N 1.28 -0.77 -0.54 2.16 2.35 -1.12 0.57 115.58 119.52 2pff h ASN 440 Ca 0.36 0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 56.19 2pff h ASN 440 Cb -0.11 0.42 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 2pff h ASN 440 CO -0.09 -0.25 -0.08 0.11 -1.65 0.00 0.00 177.43 175.48 2pff h LYS 441 N -0.11 1.00 0.00 0.81 1.57 -1.11 -1.60 116.57 117.14 2pff h LYS 441 Ca 0.24 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2pff h LYS 441 Cb 0.47 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2pff h LYS 441 CO -0.57 1.04 0.10 -0.25 -0.57 0.00 0.00 179.45 179.19 2pff n ASP 442 N -4.19 0.44 -0.02 0.86 8.00 0.13 -1.28 116.55 120.49 2pff n ASP 442 Ca 0.01 0.67 -0.00 0.00 0.71 0.00 0.00 54.79 56.18 2pff n ASP 442 Cb 0.38 -0.69 -0.00 0.00 -0.02 0.00 0.00 41.12 40.79 2pff n ASP 442 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2pff h LEU 443 N 0.00 -0.00 -0.75 0.64 3.38 0.93 -3.36 115.31 116.14 2pff h LEU 443 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 2pff h LEU 443 Cb 0.20 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.85 2pff h LEU 443 CO 0.00 0.23 0.26 0.58 0.09 0.00 0.00 178.44 179.59 2pff h VAL 444 N -0.46 0.59 0.00 1.22 2.07 -1.40 -1.32 116.25 116.95 2pff h VAL 444 Ca -0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2pff h VAL 444 Cb 0.00 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 2pff h VAL 444 CO 0.00 0.07 0.00 0.29 0.02 0.00 0.00 177.57 177.95 2pff n LYS 445 N -5.06 0.00 -2.84 1.57 5.02 -0.40 -2.69 118.16 113.76 2pff n LYS 445 Ca 0.15 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.36 2pff n LYS 445 Cb 0.45 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 2pff n LYS 445 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2pff n ASN 446 N 0.01 -2.94 0.00 4.39 3.02 -0.50 -5.04 115.26 114.20 2pff n ASN 446 Ca 0.00 -2.93 0.00 0.00 -0.03 0.00 0.00 54.58 51.62 2pff n ASN 446 Cb 0.00 1.46 0.00 0.00 -0.61 0.00 0.00 39.78 40.63 2pff n ASN 446 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2pff n ASN 447 N 2.64 0.00 0.00 6.41 3.02 -1.09 -3.33 115.26 122.91 2pff n ASN 447 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 2pff n ASN 447 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 2pff n ASN 447 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2pff n VAL 448 N 0.00 0.00 -1.75 2.41 0.31 -1.26 -5.03 118.33 113.01 2pff n VAL 448 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 2pff n VAL 448 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 2pff n VAL 448 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2pff n SER 449 N -0.00 2.82 0.00 4.52 3.41 -1.21 -4.65 113.62 118.50 2pff n SER 449 Ca 0.00 -2.68 0.00 0.00 -0.26 0.00 0.00 58.87 55.93 2pff n SER 449 Cb 0.00 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.42 2pff n SER 449 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2pff n PHE 450 N 12.40 0.00 -1.89 7.33 1.16 -1.26 -4.64 117.46 130.56 2pff n PHE 450 Ca 0.46 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 56.03 2pff n PHE 450 Cb 0.45 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.32 2pff n PHE 450 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 2pff n ASN 451 N 0.00 -3.32 -3.19 5.98 3.02 -1.26 -4.39 115.26 112.11 2pff n ASN 451 Ca 0.00 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 2pff n ASN 451 Cb 0.00 -1.92 0.00 0.00 -0.61 0.00 0.00 39.78 37.25 2pff n ASN 451 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pff n ALA 452 N -1.41 0.00 0.67 5.41 0.00 -1.26 -4.81 120.51 119.11 2pff n ALA 452 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2pff n ALA 452 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2pff n ALA 452 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2pff n LYS 453 N 0.00 0.65 0.00 0.00 0.00 -1.26 -3.54 118.16 114.00 2pff n LYS 453 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 58.31 58.38 2pff n LYS 453 Cb 0.00 -1.31 0.44 0.00 0.00 0.00 0.00 35.03 34.16 2pff n LYS 453 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2pff n ASP 454 N 0.15 0.00 -4.53 3.14 8.00 -1.26 -4.77 116.55 117.28 2pff n ASP 454 Ca 0.00 -0.91 -0.28 0.00 0.71 0.00 0.00 54.79 54.31 2pff n ASP 454 Cb 0.16 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.16 2pff n ASP 454 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2pff n ILE 455 N -0.84 -0.03 0.00 0.53 5.41 -1.23 -4.44 119.36 118.76 2pff n ILE 455 Ca 0.11 -0.51 0.00 0.00 1.00 0.00 0.00 62.75 63.35 2pff n ILE 455 Cb 0.05 -1.64 0.00 0.00 -0.71 0.00 0.00 39.64 37.34 2pff n ILE 455 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2pff n GLN 456 N 8.25 0.00 -1.26 0.38 1.13 -1.26 -4.82 117.38 119.80 2pff n GLN 456 Ca 0.51 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 55.28 2pff n GLN 456 Cb 0.34 -0.02 0.16 0.00 0.11 0.00 0.00 30.24 30.84 2pff n GLN 456 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 2pff s ILE 457 N 0.00 2.13 -0.77 5.09 -4.36 -1.26 -4.95 121.20 117.08 2pff s ILE 457 Ca 0.00 0.04 -0.27 0.00 -0.26 0.00 0.00 60.65 60.17 2pff s ILE 457 Cb 0.00 -2.59 0.03 0.00 1.25 0.00 0.00 42.46 41.15 2pff s ILE 457 CO 0.00 -0.05 1.30 -2.84 0.24 0.00 0.00 174.94 173.59 2pff s PRO 458 N -5.03 3.22 -0.99 0.37 0.02 -1.24 -4.97 135.00 126.39 2pff s PRO 458 Ca 0.65 -0.32 -0.22 0.00 0.02 0.00 0.00 61.00 61.13 2pff s PRO 458 Cb -0.18 -4.29 0.07 0.00 0.02 0.00 0.00 34.50 30.12 2pff s PRO 458 CO 0.57 -2.16 1.35 0.08 -0.33 0.00 0.00 177.00 176.51 2pff s VAL 459 N 5.70 4.15 0.69 3.83 1.01 -1.25 -4.51 120.40 130.03 2pff s VAL 459 Ca 0.36 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 2pff s VAL 459 Cb -0.07 -4.97 -0.09 0.00 0.00 0.00 0.00 36.38 31.24 2pff s VAL 459 CO 0.13 -1.81 0.13 -1.22 0.00 0.00 0.00 175.10 172.33 2pff n TYR 460 N 8.23 -2.09 -1.87 5.22 4.02 -1.25 -4.07 117.16 125.34 2pff n TYR 460 Ca 0.30 0.33 -0.30 0.00 -0.01 0.00 0.00 57.90 58.21 2pff n TYR 460 Cb 0.50 -1.78 0.17 0.00 -0.02 0.00 0.00 39.34 38.22 2pff n TYR 460 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2pff s ASP 461 N -1.25 3.26 0.22 7.72 1.01 -1.23 -4.74 116.67 121.65 2pff s ASP 461 Ca 0.59 0.39 0.23 0.00 0.71 0.00 0.00 52.55 54.48 2pff s ASP 461 Cb -0.37 -0.54 0.22 0.00 1.01 0.00 0.00 42.92 43.24 2pff s ASP 461 CO 0.64 -2.66 1.27 0.74 0.21 0.00 0.00 175.17 175.38 2pff h THR 462 N -1.59 0.00 -2.62 -1.27 2.02 -1.90 -3.42 112.91 104.13 2pff h THR 462 Ca -0.45 -0.80 -0.41 0.00 0.77 0.00 0.00 66.41 65.52 2pff h THR 462 Cb 1.26 1.44 -0.37 0.00 -1.74 0.00 0.00 68.15 68.73 2pff h THR 462 CO 0.43 0.00 -0.70 0.12 0.37 0.00 0.00 175.52 175.75 2pff s PHE 463 N -3.26 -0.06 0.02 3.16 2.19 -1.26 -4.31 117.98 114.45 2pff s PHE 463 Ca 0.04 -0.28 0.00 0.00 0.33 0.00 0.00 56.93 57.02 2pff s PHE 463 Cb 0.10 -0.60 0.00 0.00 -1.31 0.00 0.00 43.02 41.21 2pff s PHE 463 CO 0.74 -0.72 0.00 -3.47 1.83 0.00 0.00 175.22 173.60 2pff n ASP 464 N 5.29 -6.19 -4.57 6.13 -0.08 -1.26 -4.77 116.55 111.10 2pff n ASP 464 Ca -0.05 1.02 -0.15 0.00 -1.51 0.00 0.00 54.79 54.10 2pff n ASP 464 Cb 0.47 -3.33 -0.09 0.00 2.34 0.00 0.00 41.12 40.50 2pff n ASP 464 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2pff s GLY 465 N -0.33 -0.94 0.09 0.27 0.00 -1.26 -3.97 107.32 101.18 2pff s GLY 465 Ca 0.00 -1.20 0.05 0.00 0.00 0.00 0.00 44.72 43.57 2pff s GLY 465 CO 0.00 4.23 -0.04 -1.35 0.00 0.00 0.00 173.10 175.94 2pff s SER 466 N 9.48 4.78 0.00 1.64 1.04 -1.26 -4.80 113.70 124.58 2pff s SER 466 Ca 0.86 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 57.04 2pff s SER 466 Cb -0.08 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 64.97 2pff s SER 466 CO 0.13 0.18 0.16 -0.67 0.98 0.00 0.00 173.24 174.03 2pff n ASP 467 N 0.69 0.00 0.00 7.02 -0.08 -1.26 -3.58 116.55 119.34 2pff n ASP 467 Ca -0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 2pff n ASP 467 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 2pff n ASP 467 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2pff n LEU 468 N -0.58 0.00 -4.31 -2.67 7.94 -1.26 -4.07 117.00 112.06 2pff n LEU 468 Ca 0.00 0.00 -0.46 0.00 -1.11 0.00 0.00 56.01 54.44 2pff n LEU 468 Cb 0.00 -0.17 -0.04 0.00 0.53 0.00 0.00 43.42 43.74 2pff n LEU 468 CO 0.00 0.00 0.22 -0.60 -1.11 0.00 0.00 177.39 175.90 2pff s ARG 469 N 0.00 3.15 0.00 1.96 6.06 -1.26 -4.52 118.95 124.34 2pff s ARG 469 Ca 0.00 -1.97 0.05 0.00 -2.50 0.00 0.00 55.73 51.31 2pff s ARG 469 Cb 0.00 -4.31 0.09 0.00 0.06 0.00 0.00 34.95 30.79 2pff s ARG 469 CO 0.00 -1.31 0.88 0.28 -2.50 0.00 0.00 175.30 172.65 2pff n VAL 470 N 4.79 0.00 0.00 7.11 0.31 -1.26 -5.13 118.33 124.15 2pff n VAL 470 Ca -0.04 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2pff n VAL 470 Cb 0.42 0.45 0.00 0.00 -0.91 0.00 0.00 33.84 33.80 2pff n VAL 470 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2pff n LEU 471 N 0.10 0.00 -0.26 7.52 7.94 -1.26 -4.72 117.00 126.32 2pff n LEU 471 Ca -0.06 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.81 2pff n LEU 471 Cb 0.73 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.67 2pff n LEU 471 CO -0.04 0.00 -0.03 -1.54 -1.11 0.00 0.00 177.39 174.67 2pff n SER 472 N -0.53 -4.31 0.00 1.96 3.41 -1.26 -4.42 113.62 108.47 2pff n SER 472 Ca 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2pff n SER 472 Cb 0.00 -2.87 0.00 0.00 -0.26 0.00 0.00 64.21 61.08 2pff n SER 472 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pff n GLY 473 N 0.55 0.85 4.50 5.00 0.00 -1.26 -5.01 105.19 109.81 2pff n GLY 473 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2pff n GLY 473 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2pff n SER 474 N 0.00 0.00 0.00 1.61 7.64 -1.26 -3.62 113.62 117.99 2pff n SER 474 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2pff n SER 474 Cb 0.31 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 2pff n SER 474 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2pff n ILE 475 N -1.54 0.00 -0.46 0.44 5.41 -1.26 -4.57 119.36 117.38 2pff n ILE 475 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 2pff n ILE 475 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 2pff n ILE 475 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2pff n SER 476 N 2.29 4.68 0.00 4.38 3.41 -1.26 0.88 113.62 128.00 2pff n SER 476 Ca 0.00 -2.24 0.00 0.00 -0.26 0.00 0.00 58.87 56.37 2pff n SER 476 Cb 0.00 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 2pff n SER 476 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2pff n GLU 477 N 1.62 0.56 -0.10 4.33 2.13 -1.24 -4.83 120.64 123.12 2pff n GLU 477 Ca 0.02 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.71 2pff n GLU 477 Cb 0.46 -0.05 -0.09 0.00 0.27 0.00 0.00 31.44 32.03 2pff n GLU 477 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2pff n ARG 478 N 0.00 0.48 -0.01 5.31 3.00 0.74 -3.76 116.66 122.42 2pff n ARG 478 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 2pff n ARG 478 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 32.46 31.08 2pff n ARG 478 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2pff n ILE 479 N -3.06 0.59 0.08 5.15 2.08 0.25 0.04 119.36 124.50 2pff n ILE 479 Ca -0.34 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 62.96 2pff n ILE 479 Cb 0.86 -0.80 0.00 0.00 -0.75 0.00 0.00 39.64 38.95 2pff n ILE 479 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2pff n VAL 480 N 0.74 0.23 0.23 1.39 0.31 -1.26 -4.72 118.33 115.26 2pff n VAL 480 Ca 0.00 0.08 0.11 0.00 -0.01 0.00 0.00 64.34 64.52 2pff n VAL 480 Cb 0.29 -0.81 0.48 0.00 -0.91 0.00 0.00 33.84 32.89 2pff n VAL 480 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2pff h ASP 481 N 0.00 0.00 1.34 4.52 1.82 -1.46 0.24 116.42 122.87 2pff h ASP 481 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2pff h ASP 481 Cb 0.10 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.11 2pff h ASP 481 CO 0.00 0.17 0.00 0.00 -1.61 0.00 0.00 179.24 177.80 2pff n ILE 483 N -2.36 0.00 -1.10 0.00 5.41 -0.74 -4.32 119.36 116.26 2pff n ILE 483 Ca 0.04 0.05 -0.24 0.00 1.00 0.00 0.00 62.75 63.60 2pff n ILE 483 Cb 0.39 -1.00 -0.10 0.00 -0.71 0.00 0.00 39.64 38.22 2pff n ILE 483 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2pff n ILE 484 N -1.56 3.47 0.00 1.39 -5.35 0.75 -1.67 119.36 116.39 2pff n ILE 484 Ca 0.00 -1.93 0.00 0.00 -0.27 0.00 0.00 62.75 60.55 2pff n ILE 484 Cb 0.00 -2.26 0.00 0.00 -1.74 0.00 0.00 39.64 35.64 2pff n ILE 484 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2pff n ARG 485 N 3.07 0.00 -3.52 6.28 3.00 -1.22 -4.40 116.66 119.87 2pff n ARG 485 Ca 0.58 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 58.12 2pff n ARG 485 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.97 2pff n ARG 485 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2pff s LEU 486 N 0.00 4.19 0.00 6.15 1.43 0.11 -4.33 118.68 126.23 2pff s LEU 486 Ca 0.00 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 2pff s LEU 486 Cb 0.00 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.74 2pff s LEU 486 CO 0.00 -0.05 0.00 -2.65 0.23 0.00 0.00 176.35 173.88 2pff n PRO 487 N -0.25 1.84 0.00 1.29 -0.02 -1.26 -4.43 135.00 132.18 2pff n PRO 487 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2pff n PRO 487 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 2pff n PRO 487 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2pff n VAL 488 N -0.36 0.00 -0.71 -1.45 0.31 -1.26 -4.84 118.33 110.02 2pff n VAL 488 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 2pff n VAL 488 Cb 0.00 -0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 2pff n VAL 488 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2pff n LYS 489 N -1.20 -1.53 0.00 5.55 5.02 -1.26 -4.48 118.16 120.25 2pff n LYS 489 Ca 0.00 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 2pff n LYS 489 Cb 0.00 -3.77 0.00 0.00 -0.02 0.00 0.00 35.03 31.24 2pff n LYS 489 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 2pff n TRP 490 N -0.92 0.00 -0.37 2.13 -0.00 -1.26 0.24 117.44 117.26 2pff n TRP 490 Ca -0.03 0.00 0.38 0.00 -0.00 0.00 0.00 57.50 57.85 2pff n TRP 490 Cb 0.14 -0.10 0.75 0.00 -0.00 0.00 0.00 31.31 32.10 2pff n TRP 490 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 2pff h GLU 491 N 0.00 0.00 0.00 5.87 5.08 -1.85 2.37 114.58 126.05 2pff h GLU 491 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2pff h GLU 491 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2pff h GLU 491 CO 0.00 0.00 -0.85 1.15 -1.00 0.00 0.00 179.01 178.31 2pff h THR 492 N 0.00 1.23 0.00 1.13 2.02 0.28 -3.21 112.91 114.37 2pff h THR 492 Ca 0.61 -2.78 -0.06 0.00 0.77 0.00 0.00 66.41 64.95 2pff h THR 492 Cb 2.53 2.60 -0.01 0.00 -1.74 0.00 0.00 68.15 71.53 2pff h THR 492 CO -0.01 0.70 -0.32 0.74 0.37 0.00 0.00 175.52 177.01 2pff h THR 493 N 0.00 0.49 0.00 3.16 2.02 0.37 -3.35 112.91 115.60 2pff h THR 493 Ca -0.03 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.46 2pff h THR 493 Cb 1.61 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 70.24 2pff h THR 493 CO 0.09 0.28 0.00 0.35 0.37 0.00 0.00 175.52 176.61 2pff n THR 494 N -3.16 0.00 -3.36 3.16 -2.24 0.90 -4.70 114.28 104.88 2pff n THR 494 Ca 0.03 0.51 -0.11 0.00 -2.27 0.00 0.00 64.05 62.21 2pff n THR 494 Cb 0.65 -1.06 -0.01 0.00 -2.10 0.00 0.00 70.33 67.80 2pff n THR 494 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pff n GLN 495 N -0.44 -0.91 -3.79 -0.78 10.64 -1.24 -4.85 117.38 116.02 2pff n GLN 495 Ca 0.00 -0.14 -0.22 0.00 -1.83 0.00 0.00 57.00 54.82 2pff n GLN 495 Cb 0.00 -0.59 -0.02 0.00 -0.86 0.00 0.00 30.24 28.77 2pff n GLN 495 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 2pff s PHE 496 N -3.89 3.45 -0.72 2.61 2.99 -1.26 -5.03 117.98 116.13 2pff s PHE 496 Ca 0.06 0.07 0.04 0.00 0.00 0.00 0.00 56.93 57.10 2pff s PHE 496 Cb -0.03 -1.68 0.28 0.00 0.00 0.00 0.00 43.02 41.59 2pff s PHE 496 CO 0.28 0.33 0.96 1.63 -0.00 0.00 0.00 175.22 178.42 2pff n LYS 497 N -1.52 3.13 -3.89 0.44 5.02 -1.26 -5.05 118.16 115.02 2pff n LYS 497 Ca -0.07 -4.69 -0.27 0.00 -2.02 0.00 0.00 58.31 51.25 2pff n LYS 497 Cb 0.57 -2.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 2pff n LYS 497 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pff s ALA 498 N -2.81 4.52 0.00 7.82 0.00 -1.26 -4.90 121.76 125.13 2pff s ALA 498 Ca 0.40 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2pff s ALA 498 Cb 0.16 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.54 2pff s ALA 498 CO -0.02 -0.49 0.00 2.41 0.00 0.00 0.00 175.76 177.66 2pff n THR 499 N -1.82 0.00 -3.99 0.00 -1.04 -0.94 -4.52 114.28 101.96 2pff n THR 499 Ca -0.02 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.90 2pff n THR 499 Cb 0.64 0.02 -0.05 0.00 -1.82 0.00 0.00 70.33 69.12 2pff n THR 499 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2pff s HIS 500 N -0.73 0.35 -0.16 -1.42 3.76 -1.06 -2.39 115.29 113.64 2pff s HIS 500 Ca 0.00 -0.71 -0.06 0.00 -0.15 0.00 0.00 55.06 54.14 2pff s HIS 500 Cb 0.00 0.20 0.07 0.00 1.11 0.00 0.00 32.58 33.96 2pff s HIS 500 CO 0.00 -0.99 0.35 0.42 -0.85 0.00 0.00 174.74 173.67 2pff s ILE 501 N -4.01 -0.43 -0.44 0.60 1.01 -1.26 -3.25 121.20 113.42 2pff s ILE 501 Ca 0.22 0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.90 2pff s ILE 501 Cb -0.01 -0.56 0.04 0.00 0.01 0.00 0.00 42.46 41.93 2pff s ILE 501 CO 0.09 0.08 0.40 -0.76 0.00 0.00 0.00 174.94 174.75 2pff s LEU 502 N 2.25 5.11 -0.35 2.97 1.43 0.24 -1.08 118.68 129.25 2pff s LEU 502 Ca -0.03 -0.91 -0.08 0.00 -1.03 0.00 0.00 54.13 52.08 2pff s LEU 502 Cb -0.11 -2.28 0.03 0.00 0.03 0.00 0.00 46.19 43.86 2pff s LEU 502 CO -0.11 -0.59 0.14 -1.81 0.23 0.00 0.00 176.35 174.22 2pff s ASP 503 N 2.02 5.47 -0.15 2.29 1.11 -0.86 -1.56 116.67 125.00 2pff s ASP 503 Ca 0.08 -1.07 0.05 0.00 0.18 0.00 0.00 52.55 51.79 2pff s ASP 503 Cb -0.19 -1.93 0.36 0.00 1.07 0.00 0.00 42.92 42.23 2pff s ASP 503 CO 0.11 -0.34 1.22 0.49 1.18 0.00 0.00 175.17 177.83 2pff n PHE 504 N 4.88 1.17 -1.43 4.23 3.72 -1.08 -2.67 117.46 126.29 2pff n PHE 504 Ca -0.12 -0.64 -0.47 0.00 -0.05 0.00 0.00 57.45 56.17 2pff n PHE 504 Cb 0.45 -0.40 -0.02 0.00 -0.94 0.00 0.00 39.48 38.56 2pff n PHE 504 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pff n GLY 505 N 0.08 -1.55 3.24 1.37 0.00 -1.26 -4.39 105.19 102.68 2pff n GLY 505 Ca 0.19 0.31 -0.06 0.00 0.00 0.00 0.00 46.02 46.45 2pff n GLY 505 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pff n PRO 506 N 0.96 0.04 -1.06 1.61 -0.04 -1.26 -4.64 135.00 130.61 2pff n PRO 506 Ca 0.16 -0.63 0.00 0.00 -0.04 0.00 0.00 63.50 62.99 2pff n PRO 506 Cb 0.28 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 2pff n PRO 506 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pff n GLY 507 N 5.17 -3.96 0.18 0.55 0.00 -1.26 -4.69 105.19 101.18 2pff n GLY 507 Ca 0.18 -0.90 0.01 0.00 0.00 0.00 0.00 46.02 45.30 2pff n GLY 507 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pff n GLY 508 N -1.34 -0.06 2.19 -0.02 0.00 -1.26 -3.97 105.19 100.74 2pff n GLY 508 Ca 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 2pff n GLY 508 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pff n ALA 509 N -0.98 7.02 -1.56 4.61 0.00 -1.26 -3.25 120.51 125.09 2pff n ALA 509 Ca -0.00 -2.83 0.00 0.00 0.00 0.00 0.00 53.44 50.61 2pff n ALA 509 Cb 0.50 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 17.08 2pff n ALA 509 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2pff n SER 510 N 2.96 0.00 -4.23 0.00 3.41 -1.26 -4.82 113.62 109.67 2pff n SER 510 Ca 0.62 -0.89 -0.42 0.00 -0.26 0.00 0.00 58.87 57.92 2pff n SER 510 Cb 0.53 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 2pff n SER 510 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2pff s GLY 511 N 0.00 2.89 0.00 5.00 0.00 -1.20 -2.86 107.32 111.14 2pff s GLY 511 Ca 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 44.72 41.14 2pff s GLY 511 CO 0.00 1.23 0.00 1.04 0.00 0.00 0.00 173.10 175.37 2pff n LEU 512 N 3.14 0.00 -0.14 0.66 4.77 -1.26 -4.41 117.00 119.77 2pff n LEU 512 Ca 0.17 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.17 2pff n LEU 512 Cb 0.41 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.55 2pff n LEU 512 CO 0.38 0.00 0.24 0.61 -1.33 0.00 0.00 177.39 177.29 2pff n GLY 513 N 0.00 -0.65 0.13 -0.72 0.00 -1.26 0.05 105.19 102.73 2pff n GLY 513 Ca 0.00 0.40 -0.22 0.00 0.00 0.00 0.00 46.02 46.21 2pff n GLY 513 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2pff h VAL 514 N 0.00 0.76 -0.71 1.61 2.07 -1.88 -3.36 116.25 114.75 2pff h VAL 514 Ca 0.17 -2.29 0.15 0.00 0.82 0.00 0.00 66.70 65.56 2pff h VAL 514 Cb 0.27 2.41 -0.13 0.00 -1.52 0.00 0.00 31.29 32.32 2pff h VAL 514 CO -0.38 0.67 -0.12 0.25 0.02 0.00 0.00 177.57 178.00 2pff h LEU 515 N -0.36 -0.56 -0.89 2.57 5.85 -0.74 2.07 115.31 123.24 2pff h LEU 515 Ca -0.39 0.21 0.23 0.00 0.84 0.00 0.00 57.88 58.77 2pff h LEU 515 Cb 1.75 0.41 -0.13 0.00 0.37 0.00 0.00 40.66 43.05 2pff h LEU 515 CO -0.02 -0.22 0.36 0.74 -0.34 0.00 0.00 178.44 178.96 2pff h THR 516 N 0.03 0.42 0.52 1.05 2.02 -0.72 0.26 112.91 116.49 2pff h THR 516 Ca 0.36 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.39 2pff h THR 516 Cb 0.57 0.05 0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2pff h THR 516 CO -0.70 0.06 -0.25 -0.74 0.37 0.00 0.00 175.52 174.26 2pff h HIS 517 N 0.34 -0.65 0.00 3.16 -0.00 0.31 -3.28 115.15 115.03 2pff h HIS 517 Ca 0.57 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.92 2pff h HIS 517 Cb 1.11 0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.74 2pff h HIS 517 CO -0.16 -0.35 0.00 0.54 -0.00 0.00 0.00 177.93 177.96 2pff n ARG 518 N -5.34 0.00 -0.30 5.26 1.74 0.89 0.09 116.66 119.00 2pff n ARG 518 Ca -0.12 0.46 0.28 0.00 -0.77 0.00 0.00 57.85 57.71 2pff n ARG 518 Cb 0.31 -0.71 0.52 0.00 -1.02 0.00 0.00 32.46 31.56 2pff n ARG 518 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pff n ASN 519 N -2.24 0.27 -4.31 0.55 3.02 -1.04 -4.31 115.26 107.19 2pff n ASN 519 Ca 0.00 1.56 -0.33 0.00 -0.03 0.00 0.00 54.58 55.78 2pff n ASN 519 Cb 0.00 -0.74 -0.15 0.00 -0.61 0.00 0.00 39.78 38.28 2pff n ASN 519 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2pff s LYS 520 N -5.49 3.29 -0.52 3.52 1.02 0.11 -4.88 119.74 116.79 2pff s LYS 520 Ca -0.09 -0.72 0.06 0.00 0.02 0.00 0.00 55.97 55.23 2pff s LYS 520 Cb 0.31 -2.61 0.21 0.00 -0.52 0.00 0.00 37.83 35.22 2pff s LYS 520 CO 0.73 0.12 0.51 -0.25 -0.92 0.00 0.00 175.35 175.54 2pff n ASP 521 N 3.77 1.35 0.00 2.83 9.92 -1.26 -4.75 116.55 128.41 2pff n ASP 521 Ca -0.19 -2.87 0.00 0.00 -0.53 0.00 0.00 54.79 51.21 2pff n ASP 521 Cb 0.52 -0.65 0.00 0.00 -0.64 0.00 0.00 41.12 40.36 2pff n ASP 521 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2pff n GLY 522 N 1.86 0.00 0.00 0.44 0.00 -1.25 -4.23 105.19 102.01 2pff n GLY 522 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2pff n GLY 522 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2pff n THR 523 N 0.00 0.00 -0.08 2.61 -1.04 -1.24 -3.45 114.28 111.09 2pff n THR 523 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 2pff n THR 523 Cb 0.00 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 2pff n THR 523 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2pff n GLY 524 N 0.00 -2.31 1.17 3.41 0.00 -1.26 -4.38 105.19 101.82 2pff n GLY 524 Ca 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 46.02 45.29 2pff n GLY 524 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pff n VAL 525 N -3.00 0.00 0.00 1.61 0.31 -1.00 -4.26 118.33 111.99 2pff n VAL 525 Ca 0.02 -0.66 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2pff n VAL 525 Cb 0.07 0.82 0.00 0.00 -0.91 0.00 0.00 33.84 33.82 2pff n VAL 525 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2pff n ARG 526 N 0.33 0.00 -4.99 5.55 0.00 -1.26 -4.57 116.66 111.71 2pff n ARG 526 Ca 0.03 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.57 2pff n ARG 526 Cb 0.99 0.00 -0.14 0.00 -0.00 0.00 0.00 32.46 33.31 2pff n ARG 526 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2pff s VAL 527 N 0.00 2.56 0.50 8.89 1.01 -0.24 -4.43 120.40 128.69 2pff s VAL 527 Ca 0.00 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 61.02 2pff s VAL 527 Cb 0.00 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.41 2pff s VAL 527 CO 0.00 0.51 0.37 -0.63 0.00 0.00 0.00 175.10 175.35 2pff s ILE 528 N -0.74 1.97 0.00 2.22 1.01 -1.26 -2.03 121.20 122.37 2pff s ILE 528 Ca 0.12 -1.48 0.00 0.00 0.00 0.00 0.00 60.65 59.28 2pff s ILE 528 Cb -0.10 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.92 2pff s ILE 528 CO 0.01 0.00 0.00 0.52 0.00 0.00 0.00 174.94 175.47 2pff n VAL 529 N -1.65 0.00 -0.79 2.92 0.31 -1.09 0.16 118.33 118.20 2pff n VAL 529 Ca -0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.99 2pff n VAL 529 Cb 0.64 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.69 2pff n VAL 529 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pff n ALA 530 N -3.00 -3.35 -0.30 3.52 0.00 -1.26 -2.88 120.51 113.25 2pff n ALA 530 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.64 2pff n ALA 530 Cb 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 17.81 2pff n ALA 530 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pff n GLY 531 N 1.87 -1.94 0.02 0.00 0.00 -1.26 -4.67 105.19 99.22 2pff n GLY 531 Ca 0.04 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.23 2pff n GLY 531 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2pff n THR 532 N 0.99 0.07 -0.92 2.61 -1.04 -1.26 -4.07 114.28 110.66 2pff n THR 532 Ca 0.00 -0.46 -0.36 0.00 -2.04 0.00 0.00 64.05 61.19 2pff n THR 532 Cb 0.00 0.04 0.07 0.00 -1.82 0.00 0.00 70.33 68.62 2pff n THR 532 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2pff n LEU 533 N -2.24 -3.64 0.00 -4.42 0.00 -1.26 -4.86 117.00 100.58 2pff n LEU 533 Ca -0.03 0.09 0.00 0.00 0.00 0.00 0.00 56.01 56.08 2pff n LEU 533 Cb 0.55 -0.76 0.00 0.00 0.00 0.00 0.00 43.42 43.21 2pff n LEU 533 CO 0.45 -4.05 0.00 -0.90 0.00 0.00 0.00 177.39 172.89 2pff n ASP 534 N 2.08 0.04 0.00 1.96 5.75 -1.26 -4.80 116.55 120.31 2pff n ASP 534 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2pff n ASP 534 Cb 0.64 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 2pff n ASP 534 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 2pff n ILE 535 N 0.00 0.00 -3.80 2.12 5.41 -1.26 -5.11 119.36 116.72 2pff n ILE 535 Ca 0.00 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.51 2pff n ILE 535 Cb 0.00 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 38.76 2pff n ILE 535 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2pff s ASN 536 N 1.81 1.88 0.00 4.38 4.22 -1.26 -4.99 114.94 120.97 2pff s ASN 536 Ca 0.00 -0.22 0.00 0.00 -2.14 0.00 0.00 52.86 50.50 2pff s ASN 536 Cb 0.00 -0.56 0.00 0.00 1.28 0.00 0.00 41.25 41.97 2pff s ASN 536 CO 0.00 -0.19 0.00 -2.65 -2.04 0.00 0.00 177.10 172.22 2pff n PRO 537 N 5.08 0.00 0.01 3.55 -0.02 -1.26 -4.39 135.00 137.97 2pff n PRO 537 Ca -0.09 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.39 2pff n PRO 537 Cb 0.50 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.97 2pff n PRO 537 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2pff n ASP 538 N 0.00 0.45 -2.24 2.55 -0.08 -1.26 -4.88 116.55 111.10 2pff n ASP 538 Ca 0.00 0.06 -0.18 0.00 -1.51 0.00 0.00 54.79 53.16 2pff n ASP 538 Cb 0.00 -0.21 0.03 0.00 2.34 0.00 0.00 41.12 43.28 2pff n ASP 538 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2pff n ASP 539 N -2.92 4.08 -2.11 1.67 5.68 -1.26 -4.88 116.55 116.82 2pff n ASP 539 Ca -0.01 -3.32 -0.23 0.00 -0.50 0.00 0.00 54.79 50.72 2pff n ASP 539 Cb 0.04 -0.38 -0.02 0.00 -1.14 0.00 0.00 41.12 39.62 2pff n ASP 539 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2pff n ASP 540 N -0.67 -0.56 -1.39 -1.12 8.00 -1.26 -4.56 116.55 114.99 2pff n ASP 540 Ca 0.35 0.54 -0.02 0.00 0.71 0.00 0.00 54.79 56.36 2pff n ASP 540 Cb 0.92 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 2pff n ASP 540 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pff n TYR 541 N 0.05 -1.14 0.00 1.24 0.18 -1.26 -4.03 117.16 112.20 2pff n TYR 541 Ca 0.09 -0.42 0.00 0.00 1.88 0.00 0.00 57.90 59.44 2pff n TYR 541 Cb 0.11 0.18 0.00 0.00 -0.38 0.00 0.00 39.34 39.25 2pff n TYR 541 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2pff n GLY 542 N -0.12 0.00 0.02 -7.48 0.00 0.43 -3.55 105.19 94.49 2pff n GLY 542 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 2pff n GLY 542 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2pff n PHE 543 N 0.00 0.00 1.08 1.61 1.16 -1.26 -4.50 117.46 115.54 2pff n PHE 543 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2pff n PHE 543 Cb 0.00 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 37.88 2pff n PHE 543 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 2pff n LYS 544 N -1.11 0.54 0.00 3.97 5.02 -1.23 -3.41 118.16 121.94 2pff n LYS 544 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2pff n LYS 544 Cb 0.12 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 2pff n LYS 544 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2pff n GLN 545 N -0.51 0.00 -0.16 1.97 1.13 -1.26 -4.26 117.38 114.28 2pff n GLN 545 Ca 0.00 0.13 -0.03 0.00 -1.94 0.00 0.00 57.00 55.17 2pff n GLN 545 Cb 0.00 -0.67 0.03 0.00 0.11 0.00 0.00 30.24 29.71 2pff n GLN 545 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2pff n GLN 1669N -0.22 -0.81 -0.10 0.00 0.00 -1.26 -4.45 117.38 110.54 2pff n GLN 1669Ca 0.02 0.10 -0.00 0.00 -0.00 0.00 0.00 57.00 57.12 2pff n GLN 1669Cb 0.59 -3.33 -0.00 0.00 0.00 0.00 0.00 30.24 27.50 2pff n GLN 1669CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2pff n GLY 1670N -1.10 0.11 0.08 1.69 0.00 -1.26 -4.99 105.19 99.72 2pff n GLY 1670Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 2pff n GLY 1670CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pff n SER 1671N 0.00 2.60 -0.84 1.61 2.88 -1.26 -5.07 113.62 113.53 2pff n SER 1671Ca -0.00 -0.07 -0.08 0.00 -1.33 0.00 0.00 58.87 57.39 2pff n SER 1671Cb 0.08 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 2pff n SER 1671CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pff n GLN 1672N -2.87 0.00 -3.65 -1.46 0.00 -1.26 -5.02 117.38 103.12 2pff n GLN 1672Ca -0.27 0.00 -0.01 0.00 0.00 0.00 0.00 57.00 56.72 2pff n GLN 1672Cb 0.82 -0.20 -0.04 0.00 0.00 0.00 0.00 30.24 30.83 2pff n GLN 1672CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2pff s GLU 1673N -0.20 0.01 0.00 2.61 -1.05 -1.26 -5.11 118.70 113.70 2pff s GLU 1673Ca 0.11 0.00 0.00 0.00 -0.15 0.00 0.00 54.97 54.94 2pff s GLU 1673Cb -0.11 0.00 0.00 0.00 -0.44 0.00 0.00 34.13 33.59 2pff s GLU 1673CO 0.13 -0.00 0.00 0.94 0.95 0.00 0.00 175.26 177.28 2pff n GLN 1674N 0.45 0.00 -0.01 -4.83 -0.06 -1.26 -2.00 117.38 109.67 2pff n GLN 1674Ca 0.01 0.00 -0.00 0.00 -2.00 0.00 0.00 57.00 55.01 2pff n GLN 1674Cb 0.59 0.00 -0.00 0.00 -4.06 0.00 0.00 30.24 26.77 2pff n GLN 1674CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2pff n GLY 1675N 0.00 -0.28 3.09 1.69 0.00 -1.26 -4.49 105.19 103.93 2pff n GLY 1675Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 2pff n GLY 1675CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2pff n MET 1676N -2.42 -1.82 -0.61 1.61 0.00 -0.85 -2.95 117.12 110.09 2pff n MET 1676Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 57.70 59.36 2pff n MET 1676Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 33.22 30.12 2pff n MET 1676CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2pff n GLY 1677N 0.56 -0.06 0.32 -5.12 0.00 -1.26 -4.65 105.19 94.99 2pff n GLY 1677Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2pff n GLY 1677CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2pff h MET 1678N 0.00 0.95 -0.82 1.61 2.07 -1.90 -1.16 114.93 115.68 2pff h MET 1678Ca 0.00 -0.06 0.11 0.00 -2.07 0.00 0.00 59.70 57.68 2pff h MET 1678Cb 0.12 -0.21 -0.12 0.00 -1.87 0.00 0.00 31.60 29.51 2pff h MET 1678CO 0.00 0.63 -0.37 -0.25 1.07 0.00 0.00 176.91 177.99 2pff n ASP 1679N -4.62 -0.63 -0.05 1.22 8.00 -1.26 0.17 116.55 119.38 2pff n ASP 1679Ca 0.12 1.44 -0.15 0.00 0.71 0.00 0.00 54.79 56.92 2pff n ASP 1679Cb 0.18 -0.29 -0.10 0.00 -0.02 0.00 0.00 41.12 40.89 2pff n ASP 1679CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2pff h LEU 1680N 0.00 -1.75 0.00 0.64 6.46 -1.58 -3.00 115.31 116.07 2pff h LEU 1680Ca 0.24 0.22 0.00 0.00 -0.12 0.00 0.00 57.88 58.22 2pff h LEU 1680Cb 0.45 0.70 0.00 0.00 -0.73 0.00 0.00 40.66 41.08 2pff h LEU 1680CO -0.80 -0.46 0.00 0.00 -0.62 0.00 0.00 178.44 176.56 2pff n TYR 1681N -5.42 0.00 -0.07 1.25 -0.00 0.46 0.35 117.16 113.73 2pff n TYR 1681Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.83 2pff n TYR 1681Cb 0.37 -0.16 0.22 0.00 -0.00 0.00 0.00 39.34 39.77 2pff n TYR 1681CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.86 176.64 2pff h LYS 1682N 0.00 0.68 0.00 2.98 3.64 -1.57 -3.37 116.57 118.94 2pff h LYS 1682Ca 0.00 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2pff h LYS 1682Cb 0.00 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2pff h LYS 1682CO 0.00 0.68 0.00 2.41 -2.27 0.00 0.00 179.45 180.27 2pff n THR 1683N -4.25 0.00 -4.58 1.00 -1.04 1.08 -4.73 114.28 101.76 2pff n THR 1683Ca 0.02 1.40 -0.34 0.00 -2.04 0.00 0.00 64.05 63.10 2pff n THR 1683Cb 0.26 -2.08 -0.12 0.00 -1.82 0.00 0.00 70.33 66.57 2pff n THR 1683CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2pff s SER 1684N -2.63 4.59 0.37 8.00 1.04 -1.19 -4.96 113.70 118.92 2pff s SER 1684Ca 0.00 -0.11 0.22 0.00 0.48 0.00 0.00 55.95 56.54 2pff s SER 1684Cb 0.00 -1.44 1.18 0.00 0.10 0.00 0.00 66.02 65.86 2pff s SER 1684CO 0.00 0.27 1.63 0.11 0.98 0.00 0.00 173.24 176.23 2pff h LYS 1685N 5.97 0.00 0.00 4.02 1.57 -1.86 -1.95 116.57 124.32 2pff h LYS 1685Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2pff h LYS 1685Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2pff h LYS 1685CO 0.56 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.44 2pff n ALA 1686N -1.75 0.00 -0.37 3.86 0.00 -1.26 -2.91 120.51 118.07 2pff n ALA 1686Ca -0.01 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.77 2pff n ALA 1686Cb 0.13 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.18 2pff n ALA 1686CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pff n ALA 1687N -3.00 1.13 -0.39 0.00 0.00 -1.19 -2.88 120.51 114.19 2pff n ALA 1687Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 53.44 54.33 2pff n ALA 1687Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2pff n ALA 1687CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2pff n GLN 1688N -4.85 0.00 0.27 0.00 -0.06 -0.74 -0.02 117.38 111.98 2pff n GLN 1688Ca 0.37 0.00 0.17 0.00 -2.00 0.00 0.00 57.00 55.54 2pff n GLN 1688Cb 1.35 -0.18 0.84 0.00 -4.06 0.00 0.00 30.24 28.19 2pff n GLN 1688CO 0.00 0.00 0.00 0.38 -0.20 0.00 0.00 177.06 177.24 2pff h ASP 1689N 0.00 0.00 -0.10 1.69 2.03 -1.51 -2.37 116.42 116.16 2pff h ASP 1689Ca 0.00 0.00 0.02 0.00 -0.73 0.00 0.00 57.03 56.32 2pff h ASP 1689Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 2pff h ASP 1689CO 0.00 0.00 -0.24 0.58 -1.03 0.00 0.00 179.24 178.55 2pff h VAL 1690N 0.00 0.00 0.09 4.15 2.07 -0.50 0.17 116.25 122.23 2pff h VAL 1690Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 2pff h VAL 1690Cb 0.67 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2pff h VAL 1690CO -0.00 0.00 -0.07 -0.50 0.02 0.00 0.00 177.57 177.02 2pff h TRP 1691N -0.23 -0.19 -0.08 1.57 4.06 -1.20 -2.48 115.95 117.40 2pff h TRP 1691Ca 0.02 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.98 2pff h TRP 1691Cb 0.29 0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.51 2pff h TRP 1691CO -0.56 -0.10 -0.05 0.09 -3.56 0.00 0.00 178.44 174.27 2pff n ASN 1692N -2.67 -0.08 -0.04 -3.49 3.02 -1.11 0.18 115.26 111.07 2pff n ASN 1692Ca -0.02 0.24 -0.06 0.00 -0.03 0.00 0.00 54.58 54.71 2pff n ASN 1692Cb 0.07 -0.07 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 2pff n ASN 1692CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2pff h ARG 1693N 0.00 -0.18 -0.02 3.52 3.08 -0.57 2.11 114.38 122.32 2pff h ARG 1693Ca 0.01 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.08 2pff h ARG 1693Cb 0.03 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2pff h ARG 1693CO -0.07 -0.12 -0.19 0.00 -1.07 0.00 0.00 179.97 178.51 2pff h ALA 1694N -0.82 -0.63 -0.88 0.04 0.00 0.24 1.15 119.26 118.36 2pff h ALA 1694Ca 0.03 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.06 2pff h ALA 1694Cb 0.26 0.70 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 2pff h ALA 1694CO -0.23 -0.69 0.57 0.22 0.00 0.00 0.00 179.25 179.12 2pff h ASP 1695N -0.22 0.60 0.03 0.00 1.82 0.12 0.79 116.42 119.56 2pff h ASP 1695Ca 0.01 0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.69 2pff h ASP 1695Cb 0.25 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.18 2pff h ASP 1695CO -0.14 0.29 -0.01 -1.13 -1.61 0.00 0.00 179.24 176.64 2pff h ASN 1696N 0.63 -0.03 -0.39 2.28 -0.73 0.45 -2.61 115.58 115.18 2pff h ASN 1696Ca 0.45 0.00 0.11 0.00 1.87 0.00 0.00 56.30 58.73 2pff h ASN 1696Cb 0.80 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.38 2pff h ASN 1696CO -0.20 -0.01 0.80 -0.74 -0.37 0.00 0.00 177.43 176.91 2pff h HIS 1697N -0.06 0.00 0.00 0.67 2.76 0.17 -0.80 115.15 117.89 2pff h HIS 1697Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2pff h HIS 1697Cb 0.03 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.99 2pff h HIS 1697CO 0.14 0.00 0.00 0.34 -1.30 0.00 0.00 177.93 177.11 2pff n PHE 1698N -3.05 0.00 0.10 5.26 7.35 0.27 -0.10 117.46 127.29 2pff n PHE 1698Ca 0.08 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.80 2pff n PHE 1698Cb 0.94 0.00 0.17 0.00 0.35 0.00 0.00 39.48 40.95 2pff n PHE 1698CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 2pff n LYS 1699N -0.42 0.05 -0.07 -4.13 2.85 0.19 0.19 118.16 116.81 2pff n LYS 1699Ca 0.00 0.43 -0.14 0.00 -1.05 0.00 0.00 58.31 57.54 2pff n LYS 1699Cb 0.00 -1.97 -0.13 0.00 -0.65 0.00 0.00 35.03 32.28 2pff n LYS 1699CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2pff h ASP 1700N 0.00 0.00 0.01 -5.58 3.58 -1.14 -2.99 116.42 110.30 2pff h ASP 1700Ca 0.00 -0.94 -0.12 0.00 0.42 0.00 0.00 57.03 56.39 2pff h ASP 1700Cb 0.65 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 2pff h ASP 1700CO 0.00 1.02 -0.63 0.74 -2.88 0.00 0.00 179.24 177.49 2pff h THR 1701N -1.00 1.37 -3.10 2.25 2.02 0.33 -3.43 112.91 111.34 2pff h THR 1701Ca -0.02 -2.28 -0.61 0.00 0.77 0.00 0.00 66.41 64.27 2pff h THR 1701Cb 1.00 2.84 -0.40 0.00 -1.74 0.00 0.00 68.15 69.85 2pff h THR 1701CO -0.01 0.48 -0.74 -0.47 0.37 0.00 0.00 175.52 175.15 2pff s TYR 1702N -2.30 2.10 0.08 3.16 5.04 0.50 -4.34 117.35 121.60 2pff s TYR 1702Ca -0.23 -2.33 -0.04 0.00 -2.44 0.00 0.00 57.07 52.02 2pff s TYR 1702Cb 0.01 -1.97 -0.03 0.00 0.35 0.00 0.00 41.96 40.32 2pff s TYR 1702CO 0.65 -0.82 0.03 0.41 -1.34 0.00 0.00 175.55 174.48 2pff n GLY 1703N 3.91 -0.53 0.00 8.97 0.00 -1.13 -3.28 105.19 113.14 2pff n GLY 1703Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2pff n GLY 1703CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2pff n PHE 1704N -0.18 0.00 -5.05 1.61 -1.74 -1.26 -4.61 117.46 106.23 2pff n PHE 1704Ca 0.02 0.00 -0.32 0.00 -0.56 0.00 0.00 57.45 56.59 2pff n PHE 1704Cb 0.08 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 40.92 2pff n PHE 1704CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 2pff s SER 1705N 0.00 3.49 0.02 5.98 1.04 -1.26 -0.64 113.70 122.33 2pff s SER 1705Ca 0.00 -0.44 -0.09 0.00 0.48 0.00 0.00 55.95 55.90 2pff s SER 1705Cb 0.00 -1.33 -0.04 0.00 0.10 0.00 0.00 66.02 64.76 2pff s SER 1705CO 0.00 0.19 1.14 0.40 0.98 0.00 0.00 173.24 175.95 2pff h ILE 1706N 5.37 0.00 -0.48 -1.02 2.04 -1.91 -1.94 117.51 119.56 2pff h ILE 1706Ca -0.26 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.64 2pff h ILE 1706Cb 1.21 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 2pff h ILE 1706CO 0.50 0.00 -0.29 0.18 0.00 0.00 0.00 178.15 178.55 2pff n LEU 1707N -3.15 -0.51 -0.31 1.44 4.77 -1.26 0.19 117.00 118.16 2pff n LEU 1707Ca -0.02 0.98 -0.08 0.00 -0.03 0.00 0.00 56.01 56.86 2pff n LEU 1707Cb 0.10 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 2pff n LEU 1707CO 0.05 -0.76 0.44 -0.67 -1.33 0.00 0.00 177.39 175.11 2pff n ASP 1708N -4.33 -0.78 0.16 -1.43 -0.08 -0.95 0.14 116.55 109.27 2pff n ASP 1708Ca 0.01 1.48 0.08 0.00 -1.51 0.00 0.00 54.79 54.84 2pff n ASP 1708Cb 0.13 -0.25 0.58 0.00 2.34 0.00 0.00 41.12 43.91 2pff n ASP 1708CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2pff h ILE 1709N 0.00 1.01 0.13 5.18 1.08 0.28 -2.55 117.51 122.64 2pff h ILE 1709Ca 0.12 -0.06 -0.01 0.00 -0.39 0.00 0.00 64.86 64.52 2pff h ILE 1709Cb 0.30 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 2pff h ILE 1709CO -0.69 0.03 -0.06 0.58 -0.69 0.00 0.00 178.15 177.32 2pff h VAL 1710N 0.18 0.95 0.00 1.67 2.07 0.67 -3.37 116.25 118.42 2pff h VAL 1710Ca 0.07 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.37 2pff h VAL 1710Cb 0.06 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2pff h VAL 1710CO -0.01 0.25 0.00 -0.38 0.02 0.00 0.00 177.57 177.45 2pff n ILE 1711N -4.89 0.00 -3.32 4.57 5.41 0.22 -4.46 119.36 116.88 2pff n ILE 1711Ca -0.08 0.88 -0.27 0.00 1.00 0.00 0.00 62.75 64.28 2pff n ILE 1711Cb 0.27 -1.71 -0.02 0.00 -0.71 0.00 0.00 39.64 37.47 2pff n ILE 1711CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2pff s ASN 1712N -2.33 6.38 -1.05 4.38 4.22 -0.98 -4.38 114.94 121.17 2pff s ASN 1712Ca 0.00 0.62 -0.05 0.00 -2.14 0.00 0.00 52.86 51.28 2pff s ASN 1712Cb 0.00 -2.10 0.28 0.00 1.28 0.00 0.00 41.25 40.71 2pff s ASN 1712CO 0.00 -0.25 1.22 -3.20 -2.04 0.00 0.00 177.10 172.83 2pff n ASN 1713N -1.30 5.68 -1.15 3.54 2.85 -1.26 -3.99 115.26 119.62 2pff n ASN 1713Ca -0.03 -3.23 0.00 0.00 -0.11 0.00 0.00 54.58 51.21 2pff n ASN 1713Cb 0.55 -1.26 0.00 0.00 1.24 0.00 0.00 39.78 40.31 2pff n ASN 1713CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2pff n PRO 1714N 1.95 0.16 0.00 1.20 -0.04 -1.26 -4.71 135.00 132.30 2pff n PRO 1714Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2pff n PRO 1714Cb 0.36 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 2pff n PRO 1714CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2pff n VAL 1715N 1.09 0.00 -1.36 0.52 3.14 -1.26 -3.59 118.33 116.87 2pff n VAL 1715Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2pff n VAL 1715Cb 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.86 2pff n VAL 1715CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2pff n ASN 1716N 0.00 0.00 -2.47 6.55 2.85 -1.11 0.18 115.26 121.27 2pff n ASN 1716Ca 0.00 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.32 2pff n ASN 1716Cb 0.00 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 40.93 2pff n ASN 1716CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2pff n LEU 1717N 0.00 4.57 0.00 1.20 7.94 -1.26 -3.99 117.00 125.46 2pff n LEU 1717Ca 0.00 -2.74 -0.08 0.00 -1.11 0.00 0.00 56.01 52.08 2pff n LEU 1717Cb 0.00 -1.10 0.07 0.00 0.53 0.00 0.00 43.42 42.92 2pff n LEU 1717CO 0.00 1.11 0.09 0.35 -1.11 0.00 0.00 177.39 177.83 2pff n THR 1718N 3.04 0.00 -1.04 1.96 -2.24 0.13 -4.81 114.28 111.32 2pff n THR 1718Ca 0.39 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.84 2pff n THR 1718Cb 0.51 -0.25 0.01 0.00 -2.10 0.00 0.00 70.33 68.51 2pff n THR 1718CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2pff n ILE 1719N -3.57 0.00 -0.27 2.28 5.41 -1.26 -4.64 119.36 117.31 2pff n ILE 1719Ca 0.03 -0.43 0.00 0.00 1.00 0.00 0.00 62.75 63.35 2pff n ILE 1719Cb 0.15 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.08 2pff n ILE 1719CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2pff n HIS 1720N -1.44 0.00 -1.41 1.39 1.44 -1.26 -2.24 115.22 111.70 2pff n HIS 1720Ca 0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 2pff n HIS 1720Cb 0.42 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.53 2pff n HIS 1720CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 2pff n PHE 1721N 0.00 -3.83 0.52 -1.40 3.01 -1.26 -2.11 117.46 112.38 2pff n PHE 1721Ca 0.00 2.03 0.13 0.00 1.01 0.00 0.00 57.45 60.61 2pff n PHE 1721Cb 0.00 -3.21 0.45 0.00 -0.01 0.00 0.00 39.48 36.71 2pff n PHE 1721CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pff n GLY 1722N -0.55 -1.50 3.60 1.37 0.00 -1.26 -4.32 105.19 102.53 2pff n GLY 1722Ca 0.00 0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 2pff n GLY 1722CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pff n GLY 1723N 0.66 -1.05 2.06 -0.02 0.00 -1.26 -4.50 105.19 101.08 2pff n GLY 1723Ca 0.04 0.48 -0.27 0.00 0.00 0.00 0.00 46.02 46.27 2pff n GLY 1723CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2pff n GLU 1724N -2.39 0.00 -0.30 1.61 2.13 -1.26 -4.65 120.64 115.78 2pff n GLU 1724Ca -0.26 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.67 2pff n GLU 1724Cb 0.56 -0.62 0.27 0.00 0.27 0.00 0.00 31.44 31.93 2pff n GLU 1724CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2pff n LYS 1725N 0.74 2.65 -4.35 5.31 5.02 -1.26 -3.24 118.16 123.03 2pff n LYS 1725Ca 0.09 -2.48 -0.24 0.00 -2.02 0.00 0.00 58.31 53.65 2pff n LYS 1725Cb 0.21 -1.52 -0.12 0.00 -0.02 0.00 0.00 35.03 33.58 2pff n LYS 1725CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2pff s GLY 1726N -1.12 1.45 0.00 0.72 0.00 -1.26 -4.84 107.32 102.27 2pff s GLY 1726Ca 0.43 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.68 2pff s GLY 1726CO 0.31 -1.50 0.00 0.28 0.00 0.00 0.00 173.10 172.19 2pff n LYS 1727N 0.51 0.00 0.00 2.90 4.76 -1.26 -0.20 118.16 124.87 2pff n LYS 1727Ca -0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 2pff n LYS 1727Cb 0.56 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.75 2pff n LYS 1727CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2pff n ARG 1728N 0.00 0.00 0.00 1.97 5.12 -1.26 -3.23 116.66 119.26 2pff n ARG 1728Ca 0.00 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 2pff n ARG 1728Cb 0.00 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 29.78 2pff n ARG 1728CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 2pff n ILE 1729N -0.94 0.00 0.00 0.55 3.06 0.72 -3.61 119.36 119.14 2pff n ILE 1729Ca 0.00 1.09 0.00 0.00 -2.50 0.00 0.00 62.75 61.34 2pff n ILE 1729Cb 0.02 -2.08 0.00 0.00 0.54 0.00 0.00 39.64 38.13 2pff n ILE 1729CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2pff n ARG 1730N -0.80 0.00 0.23 9.51 1.74 -1.20 0.84 116.66 126.98 2pff n ARG 1730Ca 0.00 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 2pff n ARG 1730Cb 0.00 -0.84 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 2pff n ARG 1730CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2pff n GLU 1731N -2.04 0.02 0.00 5.56 1.02 -1.26 -0.65 120.64 123.29 2pff n GLU 1731Ca 0.00 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 2pff n GLU 1731Cb 0.00 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.22 2pff n GLU 1731CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2pff n ASN 1732N -1.98 0.00 -3.08 1.62 3.02 0.25 -4.04 115.26 111.06 2pff n ASN 1732Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 2pff n ASN 1732Cb 0.80 -0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 39.94 2pff n ASN 1732CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2pff n TYR 1733N -1.33 0.41 0.00 3.10 0.53 0.20 -3.00 117.16 117.06 2pff n TYR 1733Ca 0.00 -0.93 0.00 0.00 -1.02 0.00 0.00 57.90 55.95 2pff n TYR 1733Cb 0.00 -0.92 0.00 0.00 -1.03 0.00 0.00 39.34 37.39 2pff n TYR 1733CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 2pff n SER 1734N 4.97 0.00 -4.54 7.72 2.88 -1.00 -4.44 113.62 119.21 2pff n SER 1734Ca 0.15 0.00 -0.59 0.00 -1.33 0.00 0.00 58.87 57.10 2pff n SER 1734Cb 0.06 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.44 2pff n SER 1734CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pff n ALA 1735N 0.00 -3.08 0.00 -1.46 0.00 0.17 -1.12 120.51 115.02 2pff n ALA 1735Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 53.44 54.02 2pff n ALA 1735Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2pff n ALA 1735CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2pff n MET 1736N 1.94 0.00 -3.57 0.00 2.81 -1.26 -4.02 117.12 113.01 2pff n MET 1736Ca 0.21 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.73 2pff n MET 1736Cb 0.08 -0.35 -0.06 0.00 -0.71 0.00 0.00 33.22 32.17 2pff n MET 1736CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 2pff s ILE 1737N 0.00 5.19 0.00 2.02 -1.16 -0.27 -3.60 121.20 123.37 2pff s ILE 1737Ca 0.00 0.67 0.00 0.00 -0.51 0.00 0.00 60.65 60.81 2pff s ILE 1737Cb 0.00 -3.64 0.00 0.00 0.61 0.00 0.00 42.46 39.43 2pff s ILE 1737CO 0.00 0.54 0.00 0.33 -2.81 0.00 0.00 174.94 173.00 2pff n PHE 1738N 2.29 0.00 0.44 3.50 7.35 -1.26 -3.09 117.46 126.68 2pff n PHE 1738Ca -0.14 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.58 2pff n PHE 1738Cb 0.53 0.00 0.22 0.00 0.35 0.00 0.00 39.48 40.57 2pff n PHE 1738CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2pff n GLU 1739N 0.00 0.19 -1.91 -4.13 -0.58 -1.26 -4.39 120.64 108.56 2pff n GLU 1739Ca 0.00 0.08 -0.41 0.00 -0.42 0.00 0.00 57.16 56.41 2pff n GLU 1739Cb 0.00 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.36 2pff n GLU 1739CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2pff s THR 1740N -2.21 2.34 -0.06 2.62 -4.23 -1.24 -4.95 115.64 107.92 2pff s THR 1740Ca 0.10 0.31 -0.03 0.00 -1.18 0.00 0.00 61.69 60.90 2pff s THR 1740Cb 0.05 -3.20 0.04 0.00 1.34 0.00 0.00 72.50 70.73 2pff s THR 1740CO 0.10 0.06 0.11 -0.63 -0.54 0.00 0.00 174.62 173.72 2pff s ILE 1741N -0.52 -0.17 0.18 2.99 1.01 -1.26 -1.46 121.20 121.96 2pff s ILE 1741Ca 0.57 0.37 0.08 0.00 0.00 0.00 0.00 60.65 61.67 2pff s ILE 1741Cb -0.44 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 2pff s ILE 1741CO 0.52 0.16 -0.06 -0.69 0.00 0.00 0.00 174.94 174.86 2pff s VAL 1742N 2.12 3.38 -0.20 2.92 1.01 -1.16 -4.69 120.40 123.77 2pff s VAL 1742Ca 0.03 -1.57 0.12 0.00 0.00 0.00 0.00 61.98 60.55 2pff s VAL 1742Cb -0.12 -2.69 0.42 0.00 0.00 0.00 0.00 36.38 34.00 2pff s VAL 1742CO -0.04 -0.11 1.21 0.47 0.00 0.00 0.00 175.10 176.63 2pff n ASP 1743N -0.02 1.94 -0.11 3.32 8.00 -1.26 -3.89 116.55 124.52 2pff n ASP 1743Ca -0.10 -3.75 -0.08 0.00 0.71 0.00 0.00 54.79 51.56 2pff n ASP 1743Cb 0.55 -0.50 -0.01 0.00 -0.02 0.00 0.00 41.12 41.15 2pff n ASP 1743CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2pff h GLY 1744N 1.11 0.50 -5.09 0.44 0.00 -1.82 -3.35 103.07 94.86 2pff h GLY 1744Ca 0.02 -0.19 -0.47 0.00 0.00 0.00 0.00 47.33 46.69 2pff h GLY 1744CO 0.07 0.19 -0.81 0.54 0.00 0.00 0.00 176.54 176.53 2pff s LYS 1745N -6.15 1.09 0.24 4.80 -0.14 -1.26 -4.69 119.74 113.63 2pff s LYS 1745Ca -0.13 -0.47 0.00 0.00 -1.36 0.00 0.00 55.97 54.01 2pff s LYS 1745Cb 0.10 -1.05 0.00 0.00 -1.68 0.00 0.00 37.83 35.20 2pff s LYS 1745CO 0.72 0.28 0.00 1.28 -0.76 0.00 0.00 175.35 176.87 2pff n LEU 1746N 2.78 -0.43 0.00 3.17 4.77 -1.26 -4.68 117.00 121.35 2pff n LEU 1746Ca -0.14 0.99 -0.11 0.00 -0.03 0.00 0.00 56.01 56.71 2pff n LEU 1746Cb 0.55 -2.94 -0.09 0.00 -2.33 0.00 0.00 43.42 38.61 2pff n LEU 1746CO 0.24 -1.39 0.40 0.11 -1.33 0.00 0.00 177.39 175.42 2pff h LYS 1747N -1.20 -0.11 -3.88 3.23 1.57 -1.91 -3.42 116.57 110.86 2pff h LYS 1747Ca -0.05 0.01 -0.71 0.00 -1.87 0.00 0.00 60.65 58.03 2pff h LYS 1747Cb 1.12 0.02 -0.33 0.00 0.08 0.00 0.00 32.23 33.12 2pff h LYS 1747CO 0.02 0.44 -0.35 0.95 -0.57 0.00 0.00 179.45 179.94 2pff s THR 1748N -3.07 3.92 -0.61 -0.16 -4.23 -1.26 -4.69 115.64 105.53 2pff s THR 1748Ca -0.14 -2.58 0.04 0.00 -1.18 0.00 0.00 61.69 57.84 2pff s THR 1748Cb -0.00 -3.56 0.16 0.00 1.34 0.00 0.00 72.50 70.43 2pff s THR 1748CO 0.52 -0.85 0.40 -0.70 -0.54 0.00 0.00 174.62 173.45 2pff s GLU 1749N 0.38 2.11 -0.37 3.99 2.12 -1.25 -5.06 118.70 120.61 2pff s GLU 1749Ca 0.14 -2.95 -0.28 0.00 0.36 0.00 0.00 54.97 52.24 2pff s GLU 1749Cb -0.20 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 2pff s GLU 1749CO -0.04 -1.24 2.05 0.15 -0.54 0.00 0.00 175.26 175.64 2pff s LYS 1750N -0.89 2.92 0.00 4.30 1.02 -1.25 -3.01 119.74 122.82 2pff s LYS 1750Ca 0.23 1.47 0.00 0.00 0.02 0.00 0.00 55.97 57.69 2pff s LYS 1750Cb -0.11 -4.35 0.00 0.00 -0.52 0.00 0.00 37.83 32.85 2pff s LYS 1750CO -0.11 -2.34 0.00 -0.89 -0.92 0.00 0.00 175.35 171.08 2pff n ILE 1751N 7.60 0.00 -1.54 2.17 2.08 -0.54 -3.33 119.36 125.80 2pff n ILE 1751Ca 0.27 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.58 2pff n ILE 1751Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.38 2pff n ILE 1751CO 0.00 0.00 0.00 0.33 0.56 0.00 0.00 176.55 177.44 2pff n PHE 1752N 0.00 0.00 0.00 1.39 -0.00 -1.26 -4.69 117.46 112.90 2pff n PHE 1752Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2pff n PHE 1752Cb 0.00 -0.74 0.00 0.00 -0.00 0.00 0.00 39.48 38.74 2pff n PHE 1752CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.76 177.12 2pff n LYS 1753N 1.82 1.26 0.00 -4.13 2.85 -1.21 -4.20 118.16 114.55 2pff n LYS 1753Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2pff n LYS 1753Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2pff n LYS 1753CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2pff n GLU 1754N 0.00 0.00 0.00 -1.58 4.07 -1.26 -4.50 120.64 117.37 2pff n GLU 1754Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2pff n GLU 1754Cb 0.00 -0.07 0.00 0.00 -0.06 0.00 0.00 31.44 31.31 2pff n GLU 1754CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 2pff n ILE 1755N 0.00 1.11 -0.35 6.31 2.08 -1.26 -4.77 119.36 122.47 2pff n ILE 1755Ca 0.00 0.46 -0.13 0.00 0.56 0.00 0.00 62.75 63.64 2pff n ILE 1755Cb 0.00 -1.46 -0.01 0.00 -0.75 0.00 0.00 39.64 37.42 2pff n ILE 1755CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 2pff n ASN 1756N -1.26 -0.19 0.00 4.38 0.23 -1.26 -4.68 115.26 112.48 2pff n ASN 1756Ca 0.00 0.28 0.00 0.00 -0.53 0.00 0.00 54.58 54.33 2pff n ASN 1756Cb 0.18 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 2pff n ASN 1756CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2pff n GLU 1757N 0.29 0.00 0.00 -3.83 -0.58 -1.26 -3.33 120.64 111.93 2pff n GLU 1757Ca 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 2pff n GLU 1757Cb 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.91 2pff n GLU 1757CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2pff n HIS 1758N 0.00 0.00 -1.29 -0.32 1.44 -1.26 -4.92 115.22 108.87 2pff n HIS 1758Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2pff n HIS 1758Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2pff n HIS 1758CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2pff n SER 1759N 0.00 -2.39 -4.75 4.39 2.88 -1.21 -4.84 113.62 107.70 2pff n SER 1759Ca 0.00 0.21 -0.40 0.00 -1.33 0.00 0.00 58.87 57.35 2pff n SER 1759Cb 0.00 -0.54 -0.06 0.00 -0.75 0.00 0.00 64.21 62.87 2pff n SER 1759CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2pff s THR 1760N -0.22 4.25 -0.00 2.46 2.01 -1.26 -4.79 115.64 118.09 2pff s THR 1760Ca 0.00 2.02 -0.01 0.00 0.31 0.00 0.00 61.69 64.01 2pff s THR 1760Cb 0.00 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.22 2pff s THR 1760CO 0.00 0.45 0.01 -1.54 -0.69 0.00 0.00 174.62 172.85 2pff n SER 1761N 1.92 -3.09 -1.64 3.53 3.41 -1.26 -5.05 113.62 111.43 2pff n SER 1761Ca -0.01 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 2pff n SER 1761Cb 0.48 -1.83 0.00 0.00 -0.26 0.00 0.00 64.21 62.60 2pff n SER 1761CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pff n TYR 1762N 0.35 -1.61 -2.76 7.33 9.36 -0.90 -5.01 117.16 123.92 2pff n TYR 1762Ca -0.02 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.20 2pff n TYR 1762Cb 0.03 0.00 0.02 0.00 -0.63 0.00 0.00 39.34 38.75 2pff n TYR 1762CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 2pff s THR 1763N 0.65 -0.31 1.06 2.97 2.01 -1.26 -4.19 115.64 116.56 2pff s THR 1763Ca 0.00 -0.14 -0.12 0.00 0.31 0.00 0.00 61.69 61.74 2pff s THR 1763Cb 0.00 0.00 0.23 0.00 0.01 0.00 0.00 72.50 72.74 2pff s THR 1763CO 0.00 0.00 1.07 -0.36 -0.69 0.00 0.00 174.62 174.64 2pff s PHE 1764N 1.52 1.57 0.00 4.92 2.99 -0.95 -4.93 117.98 123.09 2pff s PHE 1764Ca 0.19 1.35 0.00 0.00 0.00 0.00 0.00 56.93 58.47 2pff s PHE 1764Cb 0.06 -3.18 0.00 0.00 0.00 0.00 0.00 43.02 39.91 2pff s PHE 1764CO -0.12 -3.38 0.00 2.89 -0.00 0.00 0.00 175.22 174.61 2pff n ARG 1765N -4.59 0.00 -1.44 0.44 1.85 -1.26 -3.98 116.66 107.68 2pff n ARG 1765Ca 0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.87 2pff n ARG 1765Cb 0.54 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.96 2pff n ARG 1765CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2pff n SER 1766N 0.00 0.55 -0.49 2.89 3.41 -1.26 -4.96 113.62 113.77 2pff n SER 1766Ca 0.00 -1.26 0.02 0.00 -0.26 0.00 0.00 58.87 57.37 2pff n SER 1766Cb 0.00 -0.05 0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2pff n SER 1766CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2pff n GLU 1767N -1.10 0.24 0.00 4.33 1.02 -1.26 -2.75 120.64 121.12 2pff n GLU 1767Ca 0.02 -1.36 0.00 0.00 -0.02 0.00 0.00 57.16 55.80 2pff n GLU 1767Cb 0.10 -0.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 2pff n GLU 1767CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2pff n LYS 1768N -0.23 0.01 0.00 3.49 5.02 -1.26 -4.84 118.16 120.35 2pff n LYS 1768Ca 0.03 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2pff n LYS 1768Cb 0.72 -0.40 0.00 0.00 -0.02 0.00 0.00 35.03 35.33 2pff n LYS 1768CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pff n GLY 1769N 0.00 -0.30 0.33 0.72 0.00 -1.26 -4.99 105.19 99.69 2pff n GLY 1769Ca 0.00 0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.28 2pff n GLY 1769CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pff h LEU 1770N 0.00 0.00 -3.28 0.99 6.46 -1.86 -2.02 115.31 115.60 2pff h LEU 1770Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2pff h LEU 1770Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2pff h LEU 1770CO 0.00 0.00 0.00 -0.11 -0.62 0.00 0.00 178.44 177.71 2pff n LEU 1771N -2.76 2.16 0.00 2.25 7.94 -1.26 -4.19 117.00 121.14 2pff n LEU 1771Ca -0.01 -0.99 0.00 0.00 -1.11 0.00 0.00 56.01 53.90 2pff n LEU 1771Cb 0.58 -0.45 0.00 0.00 0.53 0.00 0.00 43.42 44.08 2pff n LEU 1771CO 0.09 0.40 0.00 -1.54 -1.11 0.00 0.00 177.39 175.23 2pff n SER 1772N 1.60 0.00 -0.08 1.96 3.41 -0.76 -4.46 113.62 115.29 2pff n SER 1772Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 2pff n SER 1772Cb 0.22 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.17 2pff n SER 1772CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pff n ALA 1773N -3.00 -0.01 -0.57 7.33 0.00 -1.26 -2.77 120.51 120.23 2pff n ALA 1773Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2pff n ALA 1773Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2pff n ALA 1773CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2pff n THR 1774N -1.69 0.00 0.37 0.00 -1.04 -1.26 -4.37 114.28 106.29 2pff n THR 1774Ca -0.01 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.10 2pff n THR 1774Cb 0.42 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.79 2pff n THR 1774CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2pff n GLN 1775N -0.57 0.53 0.00 -2.82 7.27 -1.11 -4.37 117.38 116.30 2pff n GLN 1775Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 57.00 56.96 2pff n GLN 1775Cb 0.00 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.18 2pff n GLN 1775CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 2pff n PHE 1776N -1.92 0.00 -0.20 3.69 3.01 -1.13 -4.66 117.46 116.24 2pff n PHE 1776Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2pff n PHE 1776Cb 0.45 0.10 0.03 0.00 -0.01 0.00 0.00 39.48 40.05 2pff n PHE 1776CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2pff n THR 1777N -2.64 -0.27 0.14 4.37 -1.04 -1.11 0.34 114.28 114.06 2pff n THR 1777Ca 0.00 1.26 -0.08 0.00 -2.04 0.00 0.00 64.05 63.19 2pff n THR 1777Cb 0.36 -1.68 -0.04 0.00 -1.82 0.00 0.00 70.33 67.14 2pff n THR 1777CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 2pff h GLN 1778N 0.00 -0.44 -0.76 -2.82 4.20 -1.86 -0.70 115.11 112.73 2pff h GLN 1778Ca 0.20 0.03 0.30 0.00 0.06 0.00 0.00 58.65 59.24 2pff h GLN 1778Cb 0.34 0.10 -0.14 0.00 0.30 0.00 0.00 27.48 28.08 2pff h GLN 1778CO -0.54 -0.29 0.35 -2.30 -0.67 0.00 0.00 178.83 175.37 2pff n PRO 1779N -3.66 -0.05 0.00 1.46 -0.02 0.15 -0.33 135.00 132.55 2pff n PRO 1779Ca -0.05 1.06 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 2pff n PRO 1779Cb 0.20 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2pff n PRO 1779CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pff n ALA 1780N -2.57 -0.01 -0.51 3.55 0.00 -0.92 -1.74 120.51 118.30 2pff n ALA 1780Ca 0.27 0.00 0.41 0.00 0.00 0.00 0.00 53.44 54.12 2pff n ALA 1780Cb 0.91 0.00 0.66 0.00 0.00 0.00 0.00 19.45 21.02 2pff n ALA 1780CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pff n LEU 1781N -0.85 0.11 0.00 0.00 4.77 -0.31 0.19 117.00 120.90 2pff n LEU 1781Ca 0.00 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.06 2pff n LEU 1781Cb 0.00 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 2pff n LEU 1781CO 0.00 -1.14 0.08 0.41 -1.33 0.00 0.00 177.39 175.41 2pff n THR 1782N -4.14 0.00 -0.19 -5.08 -1.04 0.54 -2.93 114.28 101.45 2pff n THR 1782Ca 0.38 0.37 0.06 0.00 -2.04 0.00 0.00 64.05 62.82 2pff n THR 1782Cb 1.57 -0.76 0.13 0.00 -1.82 0.00 0.00 70.33 69.45 2pff n THR 1782CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2pff n LEU 1783N -0.43 -0.11 0.00 -4.42 0.00 0.16 -0.08 117.00 112.12 2pff n LEU 1783Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 56.01 56.92 2pff n LEU 1783Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 43.42 43.11 2pff n LEU 1783CO 0.00 -0.91 0.45 0.80 0.00 0.00 0.00 177.39 177.73 2pff n MET 1784N -4.72 0.00 -0.24 1.96 1.56 0.51 -2.05 117.12 114.15 2pff n MET 1784Ca 0.11 0.77 0.03 0.00 -0.27 0.00 0.00 57.70 58.34 2pff n MET 1784Cb 0.36 -1.39 0.13 0.00 2.15 0.00 0.00 33.22 34.47 2pff n MET 1784CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 2pff h GLU 1785N 0.00 0.10 0.00 2.12 5.08 -0.37 -2.16 114.58 119.36 2pff h GLU 1785Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2pff h GLU 1785Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2pff h GLU 1785CO 0.00 0.07 0.00 1.17 -1.00 0.00 0.00 179.01 179.25 2pff n LYS 1786N -5.32 0.00 -0.11 2.33 3.00 -0.91 0.81 118.16 117.95 2pff n LYS 1786Ca 0.12 0.82 -0.03 0.00 -0.00 0.00 0.00 58.31 59.21 2pff n LYS 1786Cb 0.42 -1.37 -0.03 0.00 0.00 0.00 0.00 35.03 34.06 2pff n LYS 1786CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2pff n ALA 1787N -2.37 -0.17 -0.25 3.14 0.00 -0.87 0.14 120.51 120.12 2pff n ALA 1787Ca 0.00 0.22 0.05 0.00 0.00 0.00 0.00 53.44 53.72 2pff n ALA 1787Cb 0.00 0.28 0.12 0.00 0.00 0.00 0.00 19.45 19.84 2pff n ALA 1787CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pff n ALA 1788N -3.02 0.20 -0.28 0.00 0.00 -0.31 -0.43 120.51 116.68 2pff n ALA 1788Ca 0.01 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.22 2pff n ALA 1788Cb 0.07 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2pff n ALA 1788CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2pff n PHE 1789N -5.11 0.00 0.00 0.00 7.35 0.36 -3.17 117.46 116.90 2pff n PHE 1789Ca 0.12 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.81 2pff n PHE 1789Cb 0.39 -0.36 0.00 0.00 0.35 0.00 0.00 39.48 39.86 2pff n PHE 1789CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2pff n GLU 1790N -1.70 0.00 -0.19 -4.13 -0.58 0.43 0.36 120.64 114.83 2pff n GLU 1790Ca 0.00 0.06 0.08 0.00 -0.42 0.00 0.00 57.16 56.88 2pff n GLU 1790Cb 0.00 -0.09 0.16 0.00 -0.57 0.00 0.00 31.44 30.94 2pff n GLU 1790CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2pff n ASP 1791N -1.44 -0.07 0.00 1.62 2.03 -1.10 0.48 116.55 118.07 2pff n ASP 1791Ca 0.00 0.95 0.00 0.00 0.52 0.00 0.00 54.79 56.26 2pff n ASP 1791Cb 0.00 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 2pff n ASP 1791CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2pff n LEU 1792N -4.69 0.00 0.00 -2.67 4.77 1.15 0.80 117.00 116.36 2pff n LEU 1792Ca 0.13 0.57 0.23 0.00 -0.03 0.00 0.00 56.01 56.91 2pff n LEU 1792Cb 0.42 -0.07 0.72 0.00 -2.33 0.00 0.00 43.42 42.17 2pff n LEU 1792CO -0.04 -0.07 1.20 0.50 -1.33 0.00 0.00 177.39 177.65 2pff h LYS 1793N 0.00 0.00 0.52 3.23 1.63 -1.24 0.85 116.57 121.55 2pff h LYS 1793Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2pff h LYS 1793Cb 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 2pff h LYS 1793CO 0.00 0.00 -0.36 1.03 -3.45 0.00 0.00 179.45 176.67 2pff h SER 1794N 0.00 -0.93 0.00 4.20 0.87 0.42 0.14 113.55 118.25 2pff h SER 1794Ca 0.27 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 2pff h SER 1794Cb 1.31 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.55 2pff h SER 1794CO -0.00 -0.53 0.00 0.29 -0.53 0.00 0.00 176.83 176.06 2pff n LYS 1795N -4.62 0.57 -2.23 2.24 5.02 0.24 -4.90 118.16 114.48 2pff n LYS 1795Ca -0.10 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.18 2pff n LYS 1795Cb 0.36 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 33.98 2pff n LYS 1795CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pff n GLY 1796N 0.12 -3.94 0.00 0.72 0.00 0.25 -4.63 105.19 97.70 2pff n GLY 1796Ca 0.10 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2pff n GLY 1796CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pff n LEU 1797N 0.61 0.00 -4.64 0.99 4.77 -1.17 -4.48 117.00 113.08 2pff n LEU 1797Ca -0.07 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.49 2pff n LEU 1797Cb 0.12 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 2pff n LEU 1797CO 0.27 0.00 0.61 -0.63 -1.33 0.00 0.00 177.39 176.30 2pff s ILE 1798N -0.27 4.86 -0.65 -0.08 -1.09 -1.26 -4.97 121.20 117.74 2pff s ILE 1798Ca 0.00 1.51 -0.26 0.00 -2.23 0.00 0.00 60.65 59.67 2pff s ILE 1798Cb 0.00 -4.09 0.04 0.00 -1.58 0.00 0.00 42.46 36.83 2pff s ILE 1798CO 0.00 -0.05 1.12 -2.16 -1.23 0.00 0.00 174.94 172.62 2pff s PRO 1799N 2.71 3.27 0.00 2.79 0.04 -1.26 -4.77 135.00 137.78 2pff s PRO 1799Ca 0.34 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.09 2pff s PRO 1799Cb -0.15 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.25 2pff s PRO 1799CO 0.08 -1.84 0.00 0.00 0.04 0.00 0.00 177.00 175.28 2pff n ALA 1800N 8.39 0.00 -2.89 8.56 0.00 -1.26 -3.25 120.51 130.06 2pff n ALA 1800Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.02 2pff n ALA 1800Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 2pff n ALA 1800CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2pff s ASP 1801N -1.66 6.20 0.27 0.00 -4.77 -1.26 -5.03 116.67 110.42 2pff s ASP 1801Ca 0.00 -1.16 0.03 0.00 -3.30 0.00 0.00 52.55 48.11 2pff s ASP 1801Cb 0.00 -2.27 -0.03 0.00 -1.09 0.00 0.00 42.92 39.53 2pff s ASP 1801CO 0.00 -0.89 0.23 0.00 0.70 0.00 0.00 175.17 175.21 2pff s ALA 1802N 2.39 1.44 -0.48 2.11 0.00 -1.20 -4.75 121.76 121.27 2pff s ALA 1802Ca 0.11 -1.85 -0.16 0.00 0.00 0.00 0.00 51.96 50.06 2pff s ALA 1802Cb -0.22 1.41 0.07 0.00 0.00 0.00 0.00 23.12 24.38 2pff s ALA 1802CO 0.09 -0.64 0.44 0.95 0.00 0.00 0.00 175.76 176.60 2pff s THR 1803N -3.76 5.16 0.07 0.00 -4.23 -1.26 -4.84 115.64 106.78 2pff s THR 1803Ca 0.39 -0.91 -0.31 0.00 -1.18 0.00 0.00 61.69 59.68 2pff s THR 1803Cb 0.04 -4.15 -0.06 0.00 1.34 0.00 0.00 72.50 69.67 2pff s THR 1803CO 0.20 -0.61 1.27 -0.36 -0.54 0.00 0.00 174.62 174.57 2pff s PHE 1804N 1.86 3.35 0.04 3.99 0.40 -1.20 -3.09 117.98 123.33 2pff s PHE 1804Ca 0.07 1.17 0.04 0.00 -0.60 0.00 0.00 56.93 57.60 2pff s PHE 1804Cb -0.23 -3.51 -0.02 0.00 0.51 0.00 0.00 43.02 39.77 2pff s PHE 1804CO 0.08 -1.67 -0.11 0.00 0.70 0.00 0.00 175.22 174.22 2pff s ALA 1805N 1.14 0.88 0.00 5.36 0.00 -1.26 -3.67 121.76 124.23 2pff s ALA 1805Ca 0.61 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2pff s ALA 1805Cb -0.32 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.71 2pff s ALA 1805CO 0.29 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.59 2pff n GLY 1806N 1.85 4.34 0.00 0.00 0.00 -1.25 -3.92 105.19 106.21 2pff n GLY 1806Ca -0.19 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.30 2pff n GLY 1806CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2pff n HIS 1807N 0.00 0.00 0.00 1.61 -0.00 -1.25 -4.63 115.22 110.95 2pff n HIS 1807Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2pff n HIS 1807Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2pff n HIS 1807CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2pff n SER 1808N 0.00 0.00 -0.05 0.26 2.88 -1.26 0.15 113.62 115.60 2pff n SER 1808Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 2pff n SER 1808Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2pff n SER 1808CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2pff n LEU 1809N 0.00 0.75 0.04 2.46 7.94 -1.26 -4.53 117.00 122.40 2pff n LEU 1809Ca 0.00 -0.01 0.01 0.00 -1.11 0.00 0.00 56.01 54.89 2pff n LEU 1809Cb 0.00 0.06 0.04 0.00 0.53 0.00 0.00 43.42 44.05 2pff n LEU 1809CO 0.00 0.33 0.56 0.61 -1.11 0.00 0.00 177.39 177.78 2pff n GLY 1810N 2.60 -0.19 0.23 -3.96 0.00 0.39 0.18 105.19 104.45 2pff n GLY 1810Ca -0.15 0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 2pff n GLY 1810CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2pff h GLU 1811N 0.00 0.81 0.00 1.61 5.08 -1.79 -2.48 114.58 117.81 2pff h GLU 1811Ca 0.00 -0.64 -0.02 0.00 -1.00 0.00 0.00 59.36 57.70 2pff h GLU 1811Cb 0.84 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 2pff h GLU 1811CO 0.00 1.25 -0.12 1.88 -1.00 0.00 0.00 179.01 181.02 2pff h TYR 1812N 0.56 0.00 0.00 4.33 0.99 -0.60 -2.51 116.97 119.73 2pff h TYR 1812Ca -0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.69 2pff h TYR 1812Cb 1.36 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.09 2pff h TYR 1812CO 0.09 0.12 0.00 0.00 -0.00 0.00 0.00 178.16 178.36 2pff n ALA 1813N -2.29 1.93 -0.09 3.88 0.00 -0.93 0.16 120.51 123.17 2pff n ALA 1813Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2pff n ALA 1813Cb 0.23 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2pff n ALA 1813CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pff n ALA 1814N 1.47 0.00 -0.26 0.00 0.00 -1.05 -4.68 120.51 115.98 2pff n ALA 1814Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2pff n ALA 1814Cb 0.12 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.75 2pff n ALA 1814CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2pff h LEU 1815N 0.00 -0.22 0.59 0.00 3.38 -1.27 0.68 115.31 118.46 2pff h LEU 1815Ca 0.00 0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 2pff h LEU 1815Cb 0.00 0.31 0.01 0.00 0.09 0.00 0.00 40.66 41.06 2pff h LEU 1815CO 0.00 -0.15 -0.28 0.00 0.09 0.00 0.00 178.44 178.09 2pff h ALA 1816N 1.71 -0.79 -3.00 1.53 0.00 0.13 -3.30 119.26 115.54 2pff h ALA 1816Ca 0.44 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2pff h ALA 1816Cb 0.80 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2pff h ALA 1816CO -0.64 -0.93 0.00 -1.13 0.00 0.00 0.00 179.25 176.55 2pff n SER 1817N -5.42 0.00 0.00 0.00 3.41 0.23 -3.90 113.62 107.94 2pff n SER 1817Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 2pff n SER 1817Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 2pff n SER 1817CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2pff n LEU 1818N 0.00 0.00 -3.15 1.04 4.77 -0.69 -2.32 117.00 116.65 2pff n LEU 1818Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2pff n LEU 1818Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 2pff n LEU 1818CO 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 177.39 175.71 2pff n ALA 1819N 0.33 -2.53 -0.69 -1.18 0.00 -1.26 -4.59 120.51 110.60 2pff n ALA 1819Ca 0.00 0.38 -0.18 0.00 0.00 0.00 0.00 53.44 53.64 2pff n ALA 1819Cb 0.00 -1.63 0.01 0.00 0.00 0.00 0.00 19.45 17.83 2pff n ALA 1819CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pff n ASP 1820N 0.49 -1.99 0.19 0.00 8.00 -0.98 -4.87 116.55 117.39 2pff n ASP 1820Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2pff n ASP 1820Cb 0.46 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 2pff n ASP 1820CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2pff n VAL 1821N -2.51 0.00 -1.36 2.53 0.24 -1.24 -4.96 118.33 111.04 2pff n VAL 1821Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2pff n VAL 1821Cb 0.36 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 2pff n VAL 1821CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2pff n MET 1822N -3.38 2.35 -3.99 7.34 2.81 -1.26 -4.86 117.12 116.12 2pff n MET 1822Ca 0.00 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.54 2pff n MET 1822Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.42 2pff n MET 1822CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2pff s SER 1823N -1.00 5.74 0.23 7.83 0.01 -1.26 -4.58 113.70 120.68 2pff s SER 1823Ca 0.00 0.15 -0.16 0.00 1.31 0.00 0.00 55.95 57.24 2pff s SER 1823Cb 0.00 -1.94 0.26 0.00 0.21 0.00 0.00 66.02 64.55 2pff s SER 1823CO 0.00 0.22 1.56 0.40 0.41 0.00 0.00 173.24 175.83 2pff h ILE 1824N 4.68 0.02 0.00 1.44 2.04 -1.90 0.86 117.51 124.65 2pff h ILE 1824Ca -0.41 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.45 2pff h ILE 1824Cb 1.17 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2pff h ILE 1824CO 0.68 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 178.21 2pff n GLU 1825N -5.49 0.00 -0.36 2.37 -0.58 -1.26 -2.74 120.64 112.58 2pff n GLU 1825Ca 0.10 0.00 0.29 0.00 -0.42 0.00 0.00 57.16 57.14 2pff n GLU 1825Cb 0.41 -0.49 0.49 0.00 -0.57 0.00 0.00 31.44 31.27 2pff n GLU 1825CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2pff n SER 1826N 0.00 0.12 -0.39 1.62 7.64 -1.01 -1.71 113.62 119.89 2pff n SER 1826Ca 0.00 0.90 -0.09 0.00 1.01 0.00 0.00 58.87 60.69 2pff n SER 1826Cb 0.00 -0.44 -0.07 0.00 -1.01 0.00 0.00 64.21 62.68 2pff n SER 1826CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2pff n LEU 1827N -3.92 -0.94 -0.11 -3.43 7.94 0.30 -0.14 117.00 116.70 2pff n LEU 1827Ca 0.28 1.69 -0.11 0.00 -1.11 0.00 0.00 56.01 56.76 2pff n LEU 1827Cb 1.14 -0.25 -0.03 0.00 0.53 0.00 0.00 43.42 44.82 2pff n LEU 1827CO 0.16 -1.40 0.78 1.62 -1.11 0.00 0.00 177.39 177.44 2pff h VAL 1828N 0.00 1.26 -0.66 1.96 3.04 -1.47 -1.56 116.25 118.82 2pff h VAL 1828Ca 0.18 -0.96 0.20 0.00 -1.01 0.00 0.00 66.70 65.11 2pff h VAL 1828Cb 0.42 1.23 -0.12 0.00 -2.01 0.00 0.00 31.29 30.81 2pff h VAL 1828CO -0.90 0.31 0.06 1.21 -1.01 0.00 0.00 177.57 177.24 2pff n GLU 1829N -4.53 -0.05 -0.09 4.17 4.07 0.81 0.16 120.64 125.18 2pff n GLU 1829Ca -0.02 0.98 -0.20 0.00 -0.06 0.00 0.00 57.16 57.86 2pff n GLU 1829Cb 0.27 -1.58 -0.12 0.00 -0.06 0.00 0.00 31.44 29.94 2pff n GLU 1829CO 0.00 0.00 0.00 -0.24 -0.06 0.00 0.00 177.13 176.83 2pff h VAL 1830N 0.00 1.13 -1.15 6.31 3.04 -1.21 -1.84 116.25 122.53 2pff h VAL 1830Ca 0.42 -2.24 0.40 0.00 -1.01 0.00 0.00 66.70 64.27 2pff h VAL 1830Cb 0.92 2.54 -0.14 0.00 -2.01 0.00 0.00 31.29 32.60 2pff h VAL 1830CO -0.61 0.42 0.70 0.58 -1.01 0.00 0.00 177.57 177.65 2pff h VAL 1831N -0.94 0.15 -0.08 1.51 2.07 0.34 2.47 116.25 121.77 2pff h VAL 1831Ca -0.26 -0.05 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 2pff h VAL 1831Cb 1.27 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2pff h VAL 1831CO -0.14 0.03 -0.29 0.15 0.02 0.00 0.00 177.57 177.33 2pff h PHE 1832N 0.14 0.46 0.49 1.57 3.57 0.15 -2.05 116.94 121.26 2pff h PHE 1832Ca 0.80 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 62.09 2pff h PHE 1832Cb 2.22 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 40.87 2pff h PHE 1832CO -0.01 0.91 -0.44 -0.92 -2.23 0.00 0.00 178.31 175.63 2pff h TYR 1833N -0.13 -1.20 -0.97 0.41 -0.00 0.43 0.51 116.97 116.02 2pff h TYR 1833Ca -0.01 0.00 0.28 0.00 -0.00 0.00 0.00 58.73 59.00 2pff h TYR 1833Cb 0.93 0.46 -0.04 0.00 -0.00 0.00 0.00 36.73 38.08 2pff h TYR 1833CO 0.12 -0.59 0.81 -0.09 -0.00 0.00 0.00 178.16 178.41 2pff h ARG 1834N -0.91 0.00 0.00 1.82 1.12 0.21 -1.14 114.38 115.49 2pff h ARG 1834Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.81 2pff h ARG 1834Cb 0.77 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.73 2pff h ARG 1834CO -0.02 0.00 0.00 0.41 -3.11 0.00 0.00 179.97 177.25 2pff n GLY 1835N -1.69 -2.41 0.25 2.80 0.00 0.17 -1.45 105.19 102.87 2pff n GLY 1835Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 2pff n GLY 1835CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2pff n MET 1836N 0.00 -0.11 -0.26 1.61 2.81 -0.72 0.99 117.12 121.45 2pff n MET 1836Ca 0.00 1.05 0.04 0.00 -1.81 0.00 0.00 57.70 56.98 2pff n MET 1836Cb 0.00 -1.56 0.14 0.00 -0.71 0.00 0.00 33.22 31.09 2pff n MET 1836CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2pff h THR 1837N 0.00 0.31 0.00 2.03 2.02 -1.27 0.69 112.91 116.69 2pff h THR 1837Ca 0.28 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.44 2pff h THR 1837Cb 0.45 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 2pff h THR 1837CO -0.68 0.01 0.00 0.80 0.37 0.00 0.00 175.52 176.02 2pff n MET 1838N -5.39 0.22 0.00 6.66 0.00 0.28 -3.07 117.12 115.82 2pff n MET 1838Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.83 2pff n MET 1838Cb 0.45 -1.05 0.00 0.00 0.00 0.00 0.00 33.22 32.62 2pff n MET 1838CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 2pff n GLN 1839N -0.11 0.28 -0.37 2.12 -0.06 0.24 -4.82 117.38 114.66 2pff n GLN 1839Ca 0.00 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.05 2pff n GLN 1839Cb 0.02 -0.83 0.21 0.00 -4.06 0.00 0.00 30.24 25.59 2pff n GLN 1839CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 2pff n VAL 1840N -2.09 1.09 0.14 1.69 0.24 -1.15 -3.94 118.33 114.31 2pff n VAL 1840Ca 0.00 -0.69 0.08 0.00 -2.04 0.00 0.00 64.34 61.69 2pff n VAL 1840Cb 0.33 -0.06 0.05 0.00 -1.47 0.00 0.00 33.84 32.69 2pff n VAL 1840CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pff h ALA 1841N 3.45 0.74 -2.25 2.33 0.00 -1.88 -3.36 119.26 118.30 2pff h ALA 1841Ca 0.00 -0.25 -0.60 0.00 0.00 0.00 0.00 54.91 54.07 2pff h ALA 1841Cb 0.97 0.02 -0.42 0.00 0.00 0.00 0.00 17.79 18.37 2pff h ALA 1841CO 0.15 0.30 -0.59 0.28 0.00 0.00 0.00 179.25 179.39 2pff n VAL 1842N -2.99 3.01 -1.68 0.00 0.31 -1.25 -4.40 118.33 111.32 2pff n VAL 1842Ca 0.00 -5.52 -0.48 0.00 -0.01 0.00 0.00 64.34 58.34 2pff n VAL 1842Cb 0.64 -1.56 -0.05 0.00 -0.91 0.00 0.00 33.84 31.96 2pff n VAL 1842CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2pff n PRO 1843N 0.00 2.23 -3.68 5.55 -0.04 -1.26 -4.92 135.00 132.89 2pff n PRO 1843Ca 0.31 0.82 -0.15 0.00 -0.04 0.00 0.00 63.50 64.44 2pff n PRO 1843Cb 0.39 -2.69 -0.08 0.00 -0.04 0.00 0.00 33.50 31.08 2pff n PRO 1843CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2pff s ARG 1844N 4.21 0.77 -0.10 0.54 6.06 -1.26 -5.03 118.95 124.13 2pff s ARG 1844Ca 0.93 0.09 -0.06 0.00 -2.50 0.00 0.00 55.73 54.18 2pff s ARG 1844Cb -0.66 0.35 0.01 0.00 0.06 0.00 0.00 34.95 34.71 2pff s ARG 1844CO 0.51 -0.21 0.11 -3.47 -2.50 0.00 0.00 175.30 169.74 2pff n ASP 1845N 1.42 -6.53 -0.82 -2.12 -0.08 -1.26 -4.42 116.55 102.74 2pff n ASP 1845Ca -0.19 0.40 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 2pff n ASP 1845Cb 0.56 -1.92 0.00 0.00 2.34 0.00 0.00 41.12 42.11 2pff n ASP 1845CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2pff n GLU 1846N 1.00 0.36 0.00 -0.67 1.02 -1.26 -2.42 120.64 118.67 2pff n GLU 1846Ca -0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.12 2pff n GLU 1846Cb 0.49 -1.27 -0.00 0.00 -0.02 0.00 0.00 31.44 30.64 2pff n GLU 1846CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2pff n LEU 1847N 0.64 0.43 0.00 -4.62 7.94 -1.26 -5.07 117.00 115.05 2pff n LEU 1847Ca 0.00 0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 2pff n LEU 1847Cb 0.15 -0.26 0.00 0.00 0.53 0.00 0.00 43.42 43.84 2pff n LEU 1847CO 0.00 -0.53 0.00 0.61 -1.11 0.00 0.00 177.39 176.36 2pff n GLY 1848N 2.84 -1.92 0.00 -3.96 0.00 -1.02 -5.18 105.19 95.95 2pff n GLY 1848Ca -0.01 0.89 0.00 0.00 0.00 0.00 0.00 46.02 46.90 2pff n GLY 1848CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2pff n ARG 1849N 0.00 -0.81 -3.62 1.61 1.85 -1.25 -5.10 116.66 109.34 2pff n ARG 1849Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.81 2pff n ARG 1849Cb 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.37 2pff n ARG 1849CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2pff s SER 1850N -4.00 -0.11 0.00 2.89 0.15 -1.26 -4.02 113.70 107.34 2pff s SER 1850Ca 0.00 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.74 2pff s SER 1850Cb 0.00 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 2pff s SER 1850CO 0.00 -0.13 0.88 0.59 1.20 0.00 0.00 173.24 175.78 2pff n ASN 1851N 0.38 2.48 -4.34 5.45 4.13 -1.26 -4.77 115.26 117.33 2pff n ASN 1851Ca -0.01 -1.51 -0.17 0.00 1.68 0.00 0.00 54.58 54.57 2pff n ASN 1851Cb 0.58 -0.47 -0.10 0.00 -1.54 0.00 0.00 39.78 38.25 2pff n ASN 1851CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2pff s TYR 1852N 0.52 1.59 0.00 3.10 1.51 -1.26 0.60 117.35 123.41 2pff s TYR 1852Ca 0.00 -1.08 0.00 0.00 -1.01 0.00 0.00 57.07 54.98 2pff s TYR 1852Cb 0.00 -0.95 0.00 0.00 -0.11 0.00 0.00 41.96 40.90 2pff s TYR 1852CO 0.00 -0.21 0.00 0.41 -1.11 0.00 0.00 175.55 174.64 2pff n GLY 1853N -0.48 -0.47 0.00 0.71 0.00 -1.26 -4.54 105.19 99.16 2pff n GLY 1853Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2pff n GLY 1853CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2pff n MET 1854N 0.00 0.00 -3.49 1.61 0.00 -1.26 -3.39 117.12 110.59 2pff n MET 1854Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 57.57 2pff n MET 1854Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.17 2pff n MET 1854CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 2pff n ILE 1855N -0.73 0.00 -4.08 3.17 -5.35 -0.46 0.12 119.36 112.03 2pff n ILE 1855Ca 0.00 -1.62 -0.08 0.00 -0.27 0.00 0.00 62.75 60.78 2pff n ILE 1855Cb 0.00 0.79 -0.10 0.00 -1.74 0.00 0.00 39.64 38.59 2pff n ILE 1855CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2pff s ALA 1856N -2.89 0.52 0.09 -1.28 0.00 -0.87 0.24 121.76 117.56 2pff s ALA 1856Ca 0.26 -1.09 -0.15 0.00 0.00 0.00 0.00 51.96 50.98 2pff s ALA 1856Cb 0.01 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.38 2pff s ALA 1856CO 0.18 -0.29 0.36 0.42 0.00 0.00 0.00 175.76 176.43 2pff s ILE 1857N -3.26 0.08 -0.05 0.00 1.01 0.35 -2.50 121.20 116.83 2pff s ILE 1857Ca 0.02 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.05 2pff s ILE 1857Cb 0.03 -1.11 0.02 0.00 0.01 0.00 0.00 42.46 41.41 2pff s ILE 1857CO -0.07 -0.36 -0.09 0.54 0.00 0.00 0.00 174.94 174.97 2pff s ASN 1858N -2.52 1.39 0.44 3.58 2.20 -1.26 0.13 114.94 118.89 2pff s ASN 1858Ca 0.00 -0.22 -0.22 0.00 -0.94 0.00 0.00 52.86 51.48 2pff s ASN 1858Cb 0.01 -0.64 -0.13 0.00 -2.00 0.00 0.00 41.25 38.50 2pff s ASN 1858CO -0.08 0.00 0.45 -2.65 -2.94 0.00 0.00 177.10 171.87 2pff n PRO 1859N 3.86 0.45 -3.33 3.55 -0.02 -1.26 -4.84 135.00 133.42 2pff n PRO 1859Ca -0.24 0.17 -0.25 0.00 -2.02 0.00 0.00 63.50 61.15 2pff n PRO 1859Cb 0.51 -1.42 -0.08 0.00 -0.02 0.00 0.00 33.50 32.49 2pff n PRO 1859CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pff n GLY 1860N 1.90 3.34 0.00 -1.23 0.00 -1.26 -4.95 105.19 102.99 2pff n GLY 1860Ca 0.11 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2pff n GLY 1860CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pff n ARG 1861N 1.50 0.00 -1.08 1.61 5.12 -1.26 -4.78 116.66 117.77 2pff n ARG 1861Ca 0.25 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.17 2pff n ARG 1861Cb 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.78 2pff n ARG 1861CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2pff n VAL 1862N 0.00 -3.79 0.00 1.55 0.31 -1.26 -4.86 118.33 110.28 2pff n VAL 1862Ca 0.00 1.55 0.00 0.00 -0.01 0.00 0.00 64.34 65.88 2pff n VAL 1862Cb 0.00 -2.39 0.00 0.00 -0.91 0.00 0.00 33.84 30.54 2pff n VAL 1862CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pff n ALA 1863N -0.07 0.00 -1.01 3.52 0.00 -1.26 -5.01 120.51 116.67 2pff n ALA 1863Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pff n ALA 1863Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2pff n ALA 1863CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pff n ALA 1864N -3.00 -2.75 -0.18 0.00 0.00 -1.26 -4.22 120.51 109.10 2pff n ALA 1864Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2pff n ALA 1864Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2pff n ALA 1864CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2pff n SER 1865N 0.49 0.00 -0.19 0.00 2.88 -1.26 -4.68 113.62 110.86 2pff n SER 1865Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 2pff n SER 1865Cb 0.00 -1.69 0.12 0.00 -0.75 0.00 0.00 64.21 61.90 2pff n SER 1865CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2pff n PHE 1866N -1.74 0.28 0.10 0.66 7.35 -1.26 0.13 117.46 122.98 2pff n PHE 1866Ca 0.00 0.66 0.02 0.00 -0.76 0.00 0.00 57.45 57.37 2pff n PHE 1866Cb 0.00 -0.87 0.03 0.00 0.35 0.00 0.00 39.48 38.99 2pff n PHE 1866CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2pff n SER 1867N -4.76 1.66 -0.27 -2.13 3.41 -1.26 -3.89 113.62 106.37 2pff n SER 1867Ca 0.11 -1.43 0.34 0.00 -0.26 0.00 0.00 58.87 57.62 2pff n SER 1867Cb 0.36 -0.03 0.72 0.00 -0.26 0.00 0.00 64.21 65.00 2pff n SER 1867CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2pff h GLN 1868N 0.79 0.00 0.00 4.33 4.15 0.71 0.22 115.11 125.31 2pff h GLN 1868Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2pff h GLN 1868Cb 0.30 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.99 2pff h GLN 1868CO 0.00 0.00 -1.10 0.39 -1.93 0.00 0.00 178.83 176.19 2pff n GLU 1869N -3.94 3.24 0.32 1.69 1.02 -1.24 -3.09 120.64 118.64 2pff n GLU 1869Ca 0.24 -0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.54 2pff n GLU 1869Cb 1.26 -1.04 0.87 0.00 -0.02 0.00 0.00 31.44 32.51 2pff n GLU 1869CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pff h ALA 1870N 0.08 1.25 0.00 0.62 0.00 -1.41 1.74 119.26 121.54 2pff h ALA 1870Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2pff h ALA 1870Cb 0.95 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2pff h ALA 1870CO 0.00 -0.25 -1.03 -0.11 0.00 0.00 0.00 179.25 177.87 2pff n LEU 1871N -2.85 1.90 0.00 0.00 0.00 0.69 -4.23 117.00 112.51 2pff n LEU 1871Ca -0.02 0.43 0.00 0.00 0.00 0.00 0.00 56.01 56.42 2pff n LEU 1871Cb 0.30 -0.80 0.00 0.00 0.00 0.00 0.00 43.42 42.92 2pff n LEU 1871CO 0.14 -0.21 0.16 1.67 0.00 0.00 0.00 177.39 179.15 2pff n GLN 1872N -4.48 0.00 -0.09 1.96 7.27 -0.05 0.17 117.38 122.15 2pff n GLN 1872Ca -0.17 0.00 0.05 0.00 0.07 0.00 0.00 57.00 56.94 2pff n GLN 1872Cb 0.49 -1.37 0.09 0.00 2.41 0.00 0.00 30.24 31.86 2pff n GLN 1872CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2pff n TYR 1873N -0.80 0.25 -0.05 3.69 4.02 0.57 -4.33 117.16 120.50 2pff n TYR 1873Ca 0.00 -0.32 -0.05 0.00 -0.01 0.00 0.00 57.90 57.51 2pff n TYR 1873Cb 0.00 -0.02 -0.09 0.00 -0.02 0.00 0.00 39.34 39.21 2pff n TYR 1873CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2pff n VAL 1874N 0.40 0.76 0.30 -0.72 0.31 0.44 -4.33 118.33 115.50 2pff n VAL 1874Ca 0.08 -0.47 0.18 0.00 -0.01 0.00 0.00 64.34 64.12 2pff n VAL 1874Cb 0.34 -0.69 0.84 0.00 -0.91 0.00 0.00 33.84 33.42 2pff n VAL 1874CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2pff h VAL 1875N 0.00 0.00 0.00 2.52 2.07 -1.71 0.17 116.25 119.30 2pff h VAL 1875Ca -0.30 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2pff h VAL 1875Cb 1.68 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2pff h VAL 1875CO 0.02 0.00 0.00 1.21 0.02 0.00 0.00 177.57 178.82 2pff n GLU 1876N -2.92 0.06 0.00 1.57 2.13 -1.26 -3.71 120.64 116.51 2pff n GLU 1876Ca -0.01 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.06 2pff n GLU 1876Cb 0.19 -1.60 0.00 0.00 0.27 0.00 0.00 31.44 30.30 2pff n GLU 1876CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2pff n ARG 1877N -1.72 -0.01 0.00 5.31 3.00 0.38 -5.06 116.66 118.56 2pff n ARG 1877Ca 0.04 -0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 2pff n ARG 1877Cb 0.23 -0.48 0.00 0.00 0.00 0.00 0.00 32.46 32.21 2pff n ARG 1877CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2pff n VAL 1878N -0.01 0.00 0.00 5.15 0.24 0.03 -5.12 118.33 118.62 2pff n VAL 1878Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2pff n VAL 1878Cb 0.21 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 2pff n VAL 1878CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pff n GLY 1879N -0.12 2.66 0.00 7.63 0.00 -1.26 -4.96 105.19 109.14 2pff n GLY 1879Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2pff n GLY 1879CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2pff n LYS 1880N 0.00 0.00 -4.54 1.61 2.85 -1.26 -4.44 118.16 112.38 2pff n LYS 1880Ca 0.00 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.01 2pff n LYS 1880Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 2pff n LYS 1880CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2pff s ARG 1881N -1.85 1.86 -0.23 -1.58 1.81 -1.26 -4.68 118.95 113.01 2pff s ARG 1881Ca 0.00 -2.09 -0.23 0.00 -1.72 0.00 0.00 55.73 51.69 2pff s ARG 1881Cb 0.00 -1.01 -0.01 0.00 -0.45 0.00 0.00 34.95 33.47 2pff s ARG 1881CO 0.00 -0.27 0.73 0.95 -0.68 0.00 0.00 175.30 176.03 2pff s THR 1882N -3.12 4.92 0.00 0.02 -4.23 -1.26 -3.07 115.64 108.89 2pff s THR 1882Ca 0.28 1.37 0.00 0.00 -1.18 0.00 0.00 61.69 62.16 2pff s THR 1882Cb 0.06 -4.03 0.00 0.00 1.34 0.00 0.00 72.50 69.87 2pff s THR 1882CO 0.14 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 2pff n GLY 1883N 3.87 -2.18 3.92 3.99 0.00 0.15 -4.75 105.19 110.19 2pff n GLY 1883Ca 0.02 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 2pff n GLY 1883CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2pff s TRP 1884N 0.00 3.36 -0.54 1.61 0.23 -1.10 -4.67 118.94 117.83 2pff s TRP 1884Ca 0.00 -0.00 0.07 0.00 -2.03 0.00 0.00 56.10 54.13 2pff s TRP 1884Cb 0.00 -1.55 0.25 0.00 0.03 0.00 0.00 33.47 32.19 2pff s TRP 1884CO 0.00 0.48 0.66 1.28 0.96 0.00 0.00 176.95 180.33 2pff n LEU 1885N -1.05 2.39 -0.27 2.99 4.77 -1.26 -0.26 117.00 124.31 2pff n LEU 1885Ca -0.08 -5.16 0.05 0.00 -0.03 0.00 0.00 56.01 50.79 2pff n LEU 1885Cb 0.56 -0.17 0.19 0.00 -2.33 0.00 0.00 43.42 41.68 2pff n LEU 1885CO 0.45 2.06 1.06 -0.37 -1.33 0.00 0.00 177.39 179.27 2pff h VAL 1886N 2.74 0.72 -1.82 4.08 -1.51 -1.95 -3.46 116.25 115.05 2pff h VAL 1886Ca 0.15 -0.19 0.08 0.00 -1.23 0.00 0.00 66.70 65.51 2pff h VAL 1886Cb 0.75 0.13 -0.20 0.00 -2.13 0.00 0.00 31.29 29.83 2pff h VAL 1886CO 0.69 0.10 0.50 -0.70 -1.23 0.00 0.00 177.57 176.93 2pff s GLU 1887N -6.01 0.71 0.39 5.19 2.56 -0.44 -5.03 118.70 116.07 2pff s GLU 1887Ca -0.12 0.02 0.28 0.00 0.00 0.00 0.00 54.97 55.15 2pff s GLU 1887Cb 0.21 0.33 1.36 0.00 2.00 0.00 0.00 34.13 38.02 2pff s GLU 1887CO 0.77 -0.25 1.45 1.51 -0.56 0.00 0.00 175.26 178.18 2pff n ILE 1888N 0.45 -0.27 -1.59 -3.70 3.06 -1.26 0.11 119.36 116.16 2pff n ILE 1888Ca -0.11 1.71 -0.27 0.00 -2.50 0.00 0.00 62.75 61.59 2pff n ILE 1888Cb 0.59 -2.80 0.08 0.00 0.54 0.00 0.00 39.64 38.04 2pff n ILE 1888CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 2pff n VAL 1889N -4.67 3.11 0.00 9.51 0.31 -1.26 -4.18 118.33 121.14 2pff n VAL 1889Ca 0.37 -3.32 0.00 0.00 -0.01 0.00 0.00 64.34 61.38 2pff n VAL 1889Cb 1.40 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 2pff n VAL 1889CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2pff n ASN 1890N -0.88 0.00 -4.04 4.52 2.85 0.30 -4.45 115.26 113.56 2pff n ASN 1890Ca 0.53 0.00 -0.21 0.00 -0.11 0.00 0.00 54.58 54.79 2pff n ASN 1890Cb 0.87 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.73 2pff n ASN 1890CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 2pff s TYR 1891N 0.00 1.07 -0.32 1.20 1.51 0.34 -1.33 117.35 119.82 2pff s TYR 1891Ca 0.00 -0.26 -0.29 0.00 -1.01 0.00 0.00 57.07 55.51 2pff s TYR 1891Cb 0.00 -0.74 0.01 0.00 -0.11 0.00 0.00 41.96 41.13 2pff s TYR 1891CO 0.00 -0.08 1.12 -0.80 -1.11 0.00 0.00 175.55 174.68 2pff s ASN 1892N 0.04 6.87 -0.39 2.29 0.01 0.64 -0.50 114.94 123.90 2pff s ASN 1892Ca -0.01 1.05 -0.14 0.00 -0.71 0.00 0.00 52.86 53.05 2pff s ASN 1892Cb -0.08 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 39.05 2pff s ASN 1892CO 0.00 -0.94 0.28 -0.69 -1.51 0.00 0.00 177.10 174.24 2pff s VAL 1893N 3.83 5.21 0.74 1.60 1.01 0.65 0.34 120.40 133.78 2pff s VAL 1893Ca 0.48 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 2pff s VAL 1893Cb -0.13 -3.85 0.19 0.00 0.00 0.00 0.00 36.38 32.59 2pff s VAL 1893CO 0.18 -0.23 0.43 -0.62 0.00 0.00 0.00 175.10 174.85 2pff n GLU 1894N 5.13 -3.31 -3.53 2.72 -0.58 -1.17 -1.35 120.64 118.55 2pff n GLU 1894Ca -0.11 -0.72 -0.17 0.00 -0.42 0.00 0.00 57.16 55.74 2pff n GLU 1894Cb 0.48 -0.95 -0.06 0.00 -0.57 0.00 0.00 31.44 30.33 2pff n GLU 1894CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2pff s ASN 1895N -2.50 -0.64 -0.41 1.62 3.84 -1.22 -4.43 114.94 111.19 2pff s ASN 1895Ca 0.33 0.74 0.04 0.00 0.21 0.00 0.00 52.86 54.18 2pff s ASN 1895Cb -0.06 0.58 0.18 0.00 -0.55 0.00 0.00 41.25 41.40 2pff s ASN 1895CO 0.28 -0.57 0.37 1.67 -2.79 0.00 0.00 177.10 176.06 2pff n GLN 1896N 1.01 0.24 0.00 0.43 -0.06 -1.26 -4.36 117.38 113.38 2pff n GLN 1896Ca -0.18 -3.14 0.00 0.00 -2.00 0.00 0.00 57.00 51.68 2pff n GLN 1896Cb 0.57 -1.62 0.00 0.00 -4.06 0.00 0.00 30.24 25.13 2pff n GLN 1896CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 2pff n GLN 1897N 2.70 0.00 0.00 3.69 -0.06 0.20 0.13 117.38 124.04 2pff n GLN 1897Ca 0.29 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.29 2pff n GLN 1897Cb 0.49 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.67 2pff n GLN 1897CO 0.00 0.00 0.00 2.48 -0.20 0.00 0.00 177.06 179.34 2pff n TYR 1898N 0.00 0.00 0.10 3.69 0.18 -1.26 0.50 117.16 120.36 2pff n TYR 1898Ca 0.00 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.62 2pff n TYR 1898Cb 0.00 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 38.82 2pff n TYR 1898CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 2pff h VAL 1899N 0.00 1.42 0.00 -3.48 2.07 0.77 -2.17 116.25 114.86 2pff h VAL 1899Ca 0.00 -3.00 0.00 0.00 0.82 0.00 0.00 66.70 64.52 2pff h VAL 1899Cb 0.00 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 2pff h VAL 1899CO 0.00 0.87 0.00 0.00 0.02 0.00 0.00 177.57 178.46 2pff n ALA 1900N -2.57 0.00 0.20 1.67 0.00 0.18 0.38 120.51 120.37 2pff n ALA 1900Ca -0.10 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.42 2pff n ALA 1900Cb 1.03 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.94 2pff n ALA 1900CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pff h ALA 1901N -2.00 1.22 0.11 0.00 0.00 -1.78 0.60 119.26 117.42 2pff h ALA 1901Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 2pff h ALA 1901Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2pff h ALA 1901CO 0.00 -0.22 -1.90 0.41 0.00 0.00 0.00 179.25 177.53 2pff n GLY 1902N -1.27 -0.59 0.07 0.00 0.00 -0.81 -4.57 105.19 98.01 2pff n GLY 1902Ca -0.01 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 2pff n GLY 1902CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2pff h ASP 1903N -0.05 0.00 -0.02 1.61 1.82 0.36 -3.36 116.42 116.78 2pff h ASP 1903Ca -0.41 -0.48 0.00 0.00 -0.39 0.00 0.00 57.03 55.75 2pff h ASP 1903Cb 1.95 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.96 2pff h ASP 1903CO 0.06 0.94 -0.01 0.18 -1.61 0.00 0.00 179.24 178.79 2pff n LEU 1904N -4.62 -0.02 -0.28 2.28 4.77 0.17 0.21 117.00 119.52 2pff n LEU 1904Ca -0.12 0.04 0.07 0.00 -0.03 0.00 0.00 56.01 55.97 2pff n LEU 1904Cb 0.36 -0.01 0.21 0.00 -2.33 0.00 0.00 43.42 41.66 2pff n LEU 1904CO 0.18 -0.04 1.06 0.03 -1.33 0.00 0.00 177.39 177.29 2pff h ARG 1905N 0.00 0.51 -0.00 3.23 2.47 -1.80 0.21 114.38 119.00 2pff h ARG 1905Ca 0.01 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2pff h ARG 1905Cb 0.01 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.22 2pff h ARG 1905CO -0.02 0.34 -0.00 0.00 0.56 0.00 0.00 179.97 180.84 2pff h ALA 1906N 1.56 -0.28 -0.72 0.04 0.00 0.23 0.84 119.26 120.92 2pff h ALA 1906Ca 0.44 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.43 2pff h ALA 1906Cb 0.66 0.72 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 2pff h ALA 1906CO -0.39 -0.28 0.47 1.37 0.00 0.00 0.00 179.25 180.42 2pff h LEU 1907N -0.00 0.64 -2.11 0.00 -0.00 -1.57 -1.03 115.31 111.23 2pff h LEU 1907Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2pff h LEU 1907Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.53 2pff h LEU 1907CO -0.00 0.41 0.00 -0.78 -0.00 0.00 0.00 178.44 178.06 2pff h ASP 1908N 0.72 0.00 0.04 0.17 1.82 0.18 -2.86 116.42 116.50 2pff h ASP 1908Ca 0.31 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 56.58 2pff h ASP 1908Cb 0.30 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.27 2pff h ASP 1908CO -0.11 0.00 -2.19 0.41 -1.61 0.00 0.00 179.24 175.75 2pff n THR 1909N -2.97 1.61 -0.33 2.25 -1.04 0.27 -4.17 114.28 109.89 2pff n THR 1909Ca -0.01 -0.52 0.22 0.00 -2.04 0.00 0.00 64.05 61.70 2pff n THR 1909Cb 0.17 -1.66 0.48 0.00 -1.82 0.00 0.00 70.33 67.51 2pff n THR 1909CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2pff h VAL 1910N -0.22 0.51 0.00 12.58 2.07 -1.28 1.01 116.25 130.92 2pff h VAL 1910Ca -0.52 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2pff h VAL 1910Cb 1.84 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2pff h VAL 1910CO -0.09 0.08 0.00 1.07 0.02 0.00 0.00 177.57 178.65 2pff n THR 1911N -4.69 0.58 -0.60 2.57 5.66 -1.09 -2.99 114.28 113.72 2pff n THR 1911Ca 0.26 0.15 -0.03 0.00 -3.05 0.00 0.00 64.05 61.37 2pff n THR 1911Cb 0.87 -1.04 -0.05 0.00 -1.55 0.00 0.00 70.33 68.56 2pff n THR 1911CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2pff n ASN 1912N -1.19 4.92 -3.22 1.09 3.02 0.35 -4.72 115.26 115.51 2pff n ASN 1912Ca 0.04 -2.34 -0.06 0.00 -0.03 0.00 0.00 54.58 52.19 2pff n ASN 1912Cb 0.04 -1.13 0.01 0.00 -0.61 0.00 0.00 39.78 38.09 2pff n ASN 1912CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2pff n VAL 1913N 1.84 -8.78 -3.47 2.41 0.24 -1.21 -5.06 118.33 104.30 2pff n VAL 1913Ca 0.12 -0.30 -0.25 0.00 -2.04 0.00 0.00 64.34 61.88 2pff n VAL 1913Cb 0.58 -6.12 -0.12 0.00 -1.47 0.00 0.00 33.84 26.70 2pff n VAL 1913CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2pff s LEU 1914N -4.34 0.35 0.00 1.34 2.96 -1.16 -5.14 118.68 112.68 2pff s LEU 1914Ca 0.05 -1.32 0.00 0.00 -0.22 0.00 0.00 54.13 52.64 2pff s LEU 1914Cb -0.01 -0.05 0.00 0.00 0.50 0.00 0.00 46.19 46.63 2pff s LEU 1914CO 0.78 -0.39 0.00 0.59 -1.32 0.00 0.00 176.35 176.01 2pff n ASN 1915N 4.99 0.00 -3.60 3.68 4.13 -1.26 -4.91 115.26 118.29 2pff n ASN 1915Ca -0.01 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 56.03 2pff n ASN 1915Cb 0.43 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.51 2pff n ASN 1915CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2pff s PHE 1916N 0.00 0.02 0.00 3.10 2.19 -1.26 -5.11 117.98 116.92 2pff s PHE 1916Ca 0.00 -0.01 0.00 0.00 0.33 0.00 0.00 56.93 57.25 2pff s PHE 1916Cb 0.00 -0.54 0.00 0.00 -1.31 0.00 0.00 43.02 41.17 2pff s PHE 1916CO 0.00 -0.46 0.00 -0.89 1.83 0.00 0.00 175.22 175.70 2pff n ILE 1917N 5.30 0.00 0.00 3.12 2.08 -1.26 -5.19 119.36 123.41 2pff n ILE 1917Ca -0.06 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.25 2pff n ILE 1917Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.38 2pff n ILE 1917CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2pff n LYS 1918N 0.00 0.00 -2.86 0.38 4.76 -1.26 -4.77 118.16 114.41 2pff n LYS 1918Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 2pff n LYS 1918Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 2pff n LYS 1918CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2pff s LEU 1919N 0.00 4.04 0.00 -0.35 0.20 -1.26 -5.08 118.68 116.24 2pff s LEU 1919Ca 0.00 0.60 -0.09 0.00 0.69 0.00 0.00 54.13 55.33 2pff s LEU 1919Cb 0.00 -3.19 0.17 0.00 -0.43 0.00 0.00 46.19 42.73 2pff s LEU 1919CO 0.00 -0.77 1.04 0.00 -0.29 0.00 0.00 176.35 176.33 2pff n GLN 1920N 6.56 -0.71 0.00 1.98 6.02 -1.26 -4.68 117.38 125.29 2pff n GLN 1920Ca 0.06 -1.97 0.00 0.00 -0.01 0.00 0.00 57.00 55.08 2pff n GLN 1920Cb 0.48 -0.95 0.00 0.00 1.02 0.00 0.00 30.24 30.79 2pff n GLN 1920CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2pff n LYS 1921N -3.11 0.00 -1.13 -1.09 5.02 -1.26 -4.79 118.16 111.80 2pff n LYS 1921Ca 0.14 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.07 2pff n LYS 1921Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.48 2pff n LYS 1921CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2pff n ILE 1922N 0.00 2.45 -2.35 -0.18 5.41 -1.26 -4.73 119.36 118.69 2pff n ILE 1922Ca 0.00 -1.85 0.00 0.00 1.00 0.00 0.00 62.75 61.90 2pff n ILE 1922Cb 0.00 -2.33 0.00 0.00 -0.71 0.00 0.00 39.64 36.60 2pff n ILE 1922CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2pff n ASP 1923N 5.99 0.00 -0.28 4.38 8.00 -1.26 -5.13 116.55 128.25 2pff n ASP 1923Ca 0.51 0.00 0.02 0.00 0.71 0.00 0.00 54.79 56.03 2pff n ASP 1923Cb 0.31 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.40 2pff n ASP 1923CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2pff n ILE 1924N 0.00 0.00 -0.63 0.53 2.08 -1.26 -4.60 119.36 115.47 2pff n ILE 1924Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2pff n ILE 1924Cb 0.00 -0.06 0.00 0.00 -0.75 0.00 0.00 39.64 38.83 2pff n ILE 1924CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 2pff n ILE 1925N -0.92 0.00 0.00 1.39 5.41 -1.26 -4.80 119.36 119.18 2pff n ILE 1925Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2pff n ILE 1925Cb 0.08 -0.63 0.00 0.00 -0.71 0.00 0.00 39.64 38.38 2pff n ILE 1925CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2pff n GLU 1926N 0.16 0.00 0.00 0.38 1.02 -1.26 -3.58 120.64 117.36 2pff n GLU 1926Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 2pff n GLU 1926Cb 0.26 -0.06 0.22 0.00 -0.02 0.00 0.00 31.44 31.84 2pff n GLU 1926CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2pff n LEU 1927N 0.00 0.00 0.00 -4.62 4.77 -1.26 -2.44 117.00 113.45 2pff n LEU 1927Ca 0.00 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2pff n LEU 1927Cb 0.00 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 2pff n LEU 1927CO 0.00 -0.29 0.21 0.00 -1.33 0.00 0.00 177.39 175.97 2pff n GLN 1928N -1.44 0.00 0.00 3.23 1.13 -1.26 -2.15 117.38 116.89 2pff n GLN 1928Ca 0.03 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 2pff n GLN 1928Cb 0.10 -0.92 0.00 0.00 0.11 0.00 0.00 30.24 29.54 2pff n GLN 1928CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2pff n LYS 1929N -0.44 0.00 0.00 -1.09 4.76 -1.19 -0.96 118.16 119.24 2pff n LYS 1929Ca 0.00 0.07 -0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2pff n LYS 1929Cb 0.00 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.69 2pff n LYS 1929CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2pff h SER 1930N 0.00 -0.03 0.07 4.39 0.87 -1.15 -3.35 113.55 114.35 2pff h SER 1930Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2pff h SER 1930Cb 0.00 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2pff h SER 1930CO 0.00 0.09 -0.34 0.18 -0.53 0.00 0.00 176.83 176.23 2pff n LEU 1931N -2.68 1.75 0.05 2.23 4.77 -0.91 -4.04 117.00 118.16 2pff n LEU 1931Ca -0.00 -0.60 -0.09 0.00 -0.03 0.00 0.00 56.01 55.28 2pff n LEU 1931Cb 0.01 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 2pff n LEU 1931CO 0.01 0.32 0.32 -1.28 -1.33 0.00 0.00 177.39 175.43 2pff h SER 1932N 2.20 -0.18 -0.00 -1.43 0.87 -1.19 -2.37 113.55 111.45 2pff h SER 1932Ca 0.00 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 2pff h SER 1932Cb 0.68 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2pff h SER 1932CO 0.00 0.39 0.00 0.18 -0.53 0.00 0.00 176.83 176.87 2pff n LEU 1933N -4.90 0.72 -0.10 2.23 4.77 -1.26 -2.28 117.00 116.18 2pff n LEU 1933Ca -0.07 -0.36 -0.13 0.00 -0.03 0.00 0.00 56.01 55.42 2pff n LEU 1933Cb 0.24 -0.35 -0.09 0.00 -2.33 0.00 0.00 43.42 40.89 2pff n LEU 1933CO 0.22 0.18 -1.14 1.21 -1.33 0.00 0.00 177.39 176.52 2pff n GLU 1934N -0.15 0.56 -0.07 3.23 2.13 -1.13 -4.66 120.64 120.55 2pff n GLU 1934Ca 0.00 0.11 -0.08 0.00 0.66 0.00 0.00 57.16 57.84 2pff n GLU 1934Cb 0.18 -1.40 -0.15 0.00 0.27 0.00 0.00 31.44 30.34 2pff n GLU 1934CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2pff n GLU 1935N -3.05 0.67 0.14 5.31 -0.58 -0.91 -3.37 120.64 118.86 2pff n GLU 1935Ca -0.35 0.07 0.08 0.00 -0.42 0.00 0.00 57.16 56.54 2pff n GLU 1935Cb 0.88 -1.60 0.42 0.00 -0.57 0.00 0.00 31.44 30.57 2pff n GLU 1935CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2pff n VAL 1936N -2.81 0.91 -0.11 2.62 3.14 -0.97 0.16 118.33 121.28 2pff n VAL 1936Ca -0.27 0.71 0.00 0.00 -2.96 0.00 0.00 64.34 61.82 2pff n VAL 1936Cb 1.10 -1.71 0.00 0.00 -1.06 0.00 0.00 33.84 32.17 2pff n VAL 1936CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2pff n GLU 1937N -2.07 1.26 0.00 1.45 2.13 -1.26 -4.62 120.64 117.53 2pff n GLU 1937Ca -0.01 -1.01 0.06 0.00 0.66 0.00 0.00 57.16 56.85 2pff n GLU 1937Cb 0.17 -0.94 0.33 0.00 0.27 0.00 0.00 31.44 31.26 2pff n GLU 1937CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pff n GLY 1938N -0.27 -0.78 0.00 8.31 0.00 0.43 -4.88 105.19 108.00 2pff n GLY 1938Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2pff n GLY 1938CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2pff n HIS 1939N -0.72 0.00 0.04 1.61 -0.00 -1.25 -5.04 115.22 109.85 2pff n HIS 1939Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.80 2pff n HIS 1939Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.03 2pff n HIS 1939CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2pff n LEU 1940N 0.00 0.79 -3.12 0.27 4.77 -1.26 -4.92 117.00 113.52 2pff n LEU 1940Ca 0.00 0.10 -0.25 0.00 -0.03 0.00 0.00 56.01 55.83 2pff n LEU 1940Cb 0.00 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 40.80 2pff n LEU 1940CO 0.00 -0.69 0.02 0.49 -1.33 0.00 0.00 177.39 175.88 2pff n PHE 1941N -3.21 2.81 0.00 -1.77 0.99 -1.26 -5.03 117.46 109.98 2pff n PHE 1941Ca 0.00 -3.96 0.00 0.00 -0.00 0.00 0.00 57.45 53.49 2pff n PHE 1941Cb 0.00 -0.48 0.00 0.00 -1.00 0.00 0.00 39.48 38.00 2pff n PHE 1941CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76