#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2phx s SER 3 N 0.00 2.04 -0.16 -2.24 0.01 -1.26 -1.40 113.70 110.69 2phx s SER 3 Ca 0.00 -0.41 -0.13 0.00 1.31 0.00 0.00 55.95 56.72 2phx s SER 3 Cb 0.00 -0.19 0.05 0.00 0.21 0.00 0.00 66.02 66.09 2phx s SER 3 CO 0.00 0.15 0.42 -0.22 0.41 0.00 0.00 173.24 174.00 2phx s LEU 4 N -0.82 0.27 -0.02 2.44 2.96 -0.34 -5.01 118.68 118.17 2phx s LEU 4 Ca 0.06 0.86 -0.11 0.00 -0.22 0.00 0.00 54.13 54.72 2phx s LEU 4 Cb -0.07 1.42 0.02 0.00 0.50 0.00 0.00 46.19 48.05 2phx s LEU 4 CO 0.01 -0.16 0.23 -0.55 -1.32 0.00 0.00 176.35 174.56 2phx s SER 5 N 0.52 -0.12 -0.02 3.68 0.15 -1.26 -0.94 113.70 115.70 2phx s SER 5 Ca -0.02 0.06 -0.25 0.00 0.70 0.00 0.00 55.95 56.44 2phx s SER 5 Cb -0.04 0.32 0.06 0.00 -1.71 0.00 0.00 66.02 64.64 2phx s SER 5 CO -0.03 -0.34 0.56 0.72 1.20 0.00 0.00 173.24 175.35 2phx s PHE 6 N -1.04 -0.50 -0.02 3.44 -0.12 -0.43 -5.00 117.98 114.30 2phx s PHE 6 Ca -0.11 0.80 0.00 0.00 -0.05 0.00 0.00 56.93 57.57 2phx s PHE 6 Cb -0.05 0.32 0.02 0.00 -0.63 0.00 0.00 43.02 42.68 2phx s PHE 6 CO 0.02 -0.56 0.00 0.20 -0.05 0.00 0.00 175.22 174.84 2phx s GLY 7 N -1.36 0.19 -0.51 1.99 0.00 -1.26 -0.98 107.32 105.38 2phx s GLY 7 Ca -0.11 0.16 0.03 0.00 0.00 0.00 0.00 44.72 44.81 2phx s GLY 7 CO 0.06 0.51 0.25 -1.36 0.00 0.00 0.00 173.10 172.57 2phx s PHE 8 N 0.86 3.26 0.45 1.90 0.40 0.18 -4.95 117.98 120.08 2phx s PHE 8 Ca -0.08 -3.12 0.18 0.00 -0.60 0.00 0.00 56.93 53.31 2phx s PHE 8 Cb -0.12 -2.87 1.15 0.00 0.51 0.00 0.00 43.02 41.70 2phx s PHE 8 CO -0.02 -0.77 2.03 -1.35 0.70 0.00 0.00 175.22 175.81 2phx h PRO 9 N 6.66 0.00 -3.97 0.24 0.11 -1.91 -1.04 132.00 132.09 2phx h PRO 9 Ca -0.07 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.87 2phx h PRO 9 Cb 0.91 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.92 2phx h PRO 9 CO 0.68 0.16 -0.22 0.99 -0.21 0.00 0.00 178.00 179.40 2phx s THR 10 N -4.54 0.00 -0.56 -1.15 2.01 -1.26 -4.55 115.64 105.59 2phx s THR 10 Ca -0.04 -1.57 0.04 0.00 0.31 0.00 0.00 61.69 60.43 2phx s THR 10 Cb 0.15 -2.43 0.15 0.00 0.01 0.00 0.00 72.50 70.38 2phx s THR 10 CO 0.66 0.00 0.34 -0.36 -0.69 0.00 0.00 174.62 174.58 2phx s PHE 11 N -3.64 2.90 0.72 4.92 0.08 -0.31 -4.96 117.98 117.70 2phx s PHE 11 Ca 0.28 -3.01 -0.14 0.00 0.12 0.00 0.00 56.93 54.18 2phx s PHE 11 Cb 0.01 -2.44 0.04 0.00 -0.57 0.00 0.00 43.02 40.05 2phx s PHE 11 CO 0.14 -0.69 1.17 -2.14 -0.10 0.00 0.00 175.22 173.60 2phx s PRO 12 N -0.53 2.26 0.53 0.24 0.02 -1.26 -3.57 135.00 132.69 2phx s PRO 12 Ca 0.21 1.60 0.22 0.00 0.02 0.00 0.00 61.00 63.05 2phx s PRO 12 Cb -0.16 -1.87 1.38 0.00 0.02 0.00 0.00 34.50 33.88 2phx s PRO 12 CO -0.07 -1.70 2.08 0.77 -0.33 0.00 0.00 177.00 177.74 2phx h SER 13 N -0.35 0.00 -1.23 2.53 0.02 -1.96 -3.35 113.55 109.20 2phx h SER 13 Ca -0.47 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 59.77 2phx h SER 13 Cb 1.27 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.70 2phx h SER 13 CO 0.50 0.00 2.02 -0.90 -1.14 0.00 0.00 176.83 177.31 2phx n ASP 14 N -4.37 4.93 -4.88 3.07 5.75 -1.26 -4.98 116.55 114.82 2phx n ASP 14 Ca 0.03 -2.95 -0.36 0.00 -0.01 0.00 0.00 54.79 51.51 2phx n ASP 14 Cb 0.35 -1.66 -0.06 0.00 -1.03 0.00 0.00 41.12 38.73 2phx n ASP 14 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2phx s GLN 15 N 2.94 3.42 0.00 0.11 -1.52 -1.26 -4.99 119.66 118.36 2phx s GLN 15 Ca 0.48 -0.18 0.00 0.00 -1.95 0.00 0.00 55.36 53.72 2phx s GLN 15 Cb 0.03 -3.16 0.00 0.00 -0.22 0.00 0.00 33.01 29.66 2phx s GLN 15 CO 0.03 0.76 0.00 1.63 -0.25 0.00 0.00 175.29 177.46 2phx n LYS 16 N 1.78 2.85 -0.67 2.91 4.76 -1.26 -4.81 118.16 123.72 2phx n LYS 16 Ca -0.18 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.34 2phx n LYS 16 Cb 0.54 -0.94 0.33 0.00 -1.84 0.00 0.00 35.03 33.13 2phx n LYS 16 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2phx n ASN 17 N -1.71 4.81 -4.50 4.39 3.02 -1.26 -4.95 115.26 115.06 2phx n ASN 17 Ca 0.00 -2.93 -0.33 0.00 -0.03 0.00 0.00 54.58 51.28 2phx n ASN 17 Cb 0.34 -0.61 -0.12 0.00 -0.61 0.00 0.00 39.78 38.77 2phx n ASN 17 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2phx s LEU 18 N -2.72 2.97 -0.28 3.41 1.43 -1.26 -0.61 118.68 121.62 2phx s LEU 18 Ca 0.48 -0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.32 2phx s LEU 18 Cb 0.37 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 2phx s LEU 18 CO 0.13 0.30 0.27 -0.63 0.23 0.00 0.00 176.35 176.66 2phx s ILE 19 N -0.46 5.25 -0.17 -0.59 1.01 0.08 -4.90 121.20 121.42 2phx s ILE 19 Ca 0.06 0.34 -0.09 0.00 0.00 0.00 0.00 60.65 60.96 2phx s ILE 19 Cb -0.12 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 2phx s ILE 19 CO 0.02 0.21 0.15 -0.36 0.00 0.00 0.00 174.94 174.96 2phx s PHE 20 N 1.90 3.48 0.05 3.97 0.08 -1.26 -1.50 117.98 124.70 2phx s PHE 20 Ca 0.11 0.43 0.06 0.00 0.12 0.00 0.00 56.93 57.64 2phx s PHE 20 Cb -0.16 -2.10 -0.02 0.00 -0.57 0.00 0.00 43.02 40.16 2phx s PHE 20 CO 0.11 0.44 -0.18 -0.65 -0.10 0.00 0.00 175.22 174.84 2phx s GLN 21 N -0.11 1.17 6.08 0.44 -0.21 -0.08 -5.00 119.66 121.95 2phx s GLN 21 Ca 0.11 -0.89 0.00 0.00 0.02 0.00 0.00 55.36 54.60 2phx s GLN 21 Cb -0.12 -1.25 0.00 0.00 1.00 0.00 0.00 33.01 32.64 2phx s GLN 21 CO 0.01 0.31 0.00 0.41 -2.12 0.00 0.00 175.29 173.90 2phx n GLY 22 N 1.77 2.28 0.36 3.09 0.00 -1.26 -1.54 105.19 109.88 2phx n GLY 22 Ca -0.18 -0.46 0.14 0.00 0.00 0.00 0.00 46.02 45.53 2phx n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2phx n ASP 23 N 3.35 1.16 -4.76 1.61 8.00 0.27 -4.95 116.55 121.24 2phx n ASP 23 Ca 0.00 -1.31 -0.41 0.00 0.71 0.00 0.00 54.79 53.78 2phx n ASP 23 Cb 0.00 0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.10 2phx n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2phx s ALA 24 N -2.08 3.71 0.16 2.24 0.00 -1.14 -4.52 121.76 120.14 2phx s ALA 24 Ca 0.38 1.59 -0.22 0.00 0.00 0.00 0.00 51.96 53.71 2phx s ALA 24 Cb 0.21 -3.64 0.06 0.00 0.00 0.00 0.00 23.12 19.75 2phx s ALA 24 CO 0.37 -1.01 0.57 1.14 0.00 0.00 0.00 175.76 176.82 2phx s GLN 25 N -0.87 1.26 0.01 0.00 -2.07 -0.75 -4.74 119.66 112.51 2phx s GLN 25 Ca 0.61 -0.53 -0.21 0.00 -1.82 0.00 0.00 55.36 53.41 2phx s GLN 25 Cb -0.48 0.57 -0.06 0.00 -1.09 0.00 0.00 33.01 31.95 2phx s GLN 25 CO 0.52 -0.54 0.60 0.42 -1.32 0.00 0.00 175.29 174.96 2phx s ILE 26 N -3.77 4.87 -0.13 3.63 1.01 -1.26 -0.39 121.20 125.17 2phx s ILE 26 Ca 0.02 1.26 -0.09 0.00 0.00 0.00 0.00 60.65 61.84 2phx s ILE 26 Cb -0.01 -3.94 0.04 0.00 0.01 0.00 0.00 42.46 38.57 2phx s ILE 26 CO -0.12 0.44 0.32 -0.54 0.00 0.00 0.00 174.94 175.03 2phx s LYS 27 N -0.33 0.32 -1.51 2.79 1.02 -0.35 -4.92 119.74 116.75 2phx s LYS 27 Ca 0.31 0.55 -0.11 0.00 0.02 0.00 0.00 55.97 56.74 2phx s LYS 27 Cb -0.19 0.04 0.07 0.00 -0.52 0.00 0.00 37.83 37.24 2phx s LYS 27 CO 0.18 -0.11 0.84 0.09 -0.92 0.00 0.00 175.35 175.43 2phx n ASN 28 N 3.63 -3.40 -1.19 2.83 3.02 -1.26 -1.83 115.26 117.06 2phx n ASN 28 Ca -0.19 -0.85 -0.16 0.00 -0.03 0.00 0.00 54.58 53.35 2phx n ASN 28 Cb 0.56 -3.63 -0.07 0.00 -0.61 0.00 0.00 39.78 36.04 2phx n ASN 28 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2phx n ASN 29 N -2.86 -4.89 -4.19 6.41 3.02 -1.25 -4.98 115.26 106.51 2phx n ASN 29 Ca -0.05 0.38 -0.11 0.00 -0.03 0.00 0.00 54.58 54.77 2phx n ASN 29 Cb 0.56 -3.76 -0.10 0.00 -0.61 0.00 0.00 39.78 35.87 2phx n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2phx s ALA 30 N -2.57 1.08 -0.20 5.41 0.00 -0.76 -1.16 121.76 123.55 2phx s ALA 30 Ca 0.00 -1.49 -0.15 0.00 0.00 0.00 0.00 51.96 50.32 2phx s ALA 30 Cb 0.00 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 2phx s ALA 30 CO 0.00 -0.37 0.37 0.08 0.00 0.00 0.00 175.76 175.84 2phx s VAL 31 N -3.80 5.22 -0.49 0.00 1.01 -0.28 -1.21 120.40 120.84 2phx s VAL 31 Ca 0.21 0.64 -0.17 0.00 0.00 0.00 0.00 61.98 62.67 2phx s VAL 31 Cb 0.07 -3.70 0.08 0.00 0.00 0.00 0.00 36.38 32.82 2phx s VAL 31 CO 0.01 0.27 0.48 -1.10 0.00 0.00 0.00 175.10 174.76 2phx s GLN 32 N 1.25 3.02 0.17 2.72 -1.52 0.48 -0.80 119.66 124.98 2phx s GLN 32 Ca 0.18 -1.27 -0.09 0.00 -1.95 0.00 0.00 55.36 52.23 2phx s GLN 32 Cb -0.15 -4.15 0.05 0.00 -0.22 0.00 0.00 33.01 28.55 2phx s GLN 32 CO 0.07 -1.14 1.57 -0.07 -0.25 0.00 0.00 175.29 175.48 2phx h LEU 33 N 9.08 0.98 -9.73 2.90 3.38 -1.57 -1.99 115.31 118.36 2phx h LEU 33 Ca -0.28 -0.36 -0.61 0.00 0.09 0.00 0.00 57.88 56.72 2phx h LEU 33 Cb 1.10 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.51 2phx h LEU 33 CO 0.93 1.14 -0.57 0.42 0.09 0.00 0.00 178.44 180.45 2phx s THR 34 N -4.68 4.65 0.45 0.22 -4.23 -1.26 -2.90 115.64 107.89 2phx s THR 34 Ca -0.11 -0.83 -0.25 0.00 -1.18 0.00 0.00 61.69 59.32 2phx s THR 34 Cb 0.13 -3.30 -0.08 0.00 1.34 0.00 0.00 72.50 70.58 2phx s THR 34 CO 0.86 0.04 1.41 -0.75 -0.54 0.00 0.00 174.62 175.64 2phx s LYS 35 N -2.69 3.72 0.09 3.99 2.20 -1.26 -4.79 119.74 120.99 2phx s LYS 35 Ca 0.31 2.38 0.06 0.00 -0.36 0.00 0.00 55.97 58.35 2phx s LYS 35 Cb -0.11 -2.66 -0.03 0.00 -1.51 0.00 0.00 37.83 33.51 2phx s LYS 35 CO 0.23 -0.78 -0.16 0.95 -0.36 0.00 0.00 175.35 175.24 2phx s THR 36 N -1.21 1.30 0.00 3.43 -4.23 -1.26 -3.29 115.64 110.38 2phx s THR 36 Ca 0.61 -1.41 -0.00 0.00 -1.18 0.00 0.00 61.69 59.70 2phx s THR 36 Cb -0.43 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.16 2phx s THR 36 CO 0.55 -0.20 0.00 -0.90 -0.54 0.00 0.00 174.62 173.53 2phx n ASP 37 N 1.14 -0.17 -0.31 3.99 5.68 0.09 -4.82 116.55 122.16 2phx n ASP 37 Ca -0.20 -0.92 0.07 0.00 -0.50 0.00 0.00 54.79 53.24 2phx n ASP 37 Cb 0.54 -0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.80 2phx n ASP 37 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2phx h SER 38 N -0.17 0.85 -0.13 -1.12 0.02 -2.02 -1.27 113.55 109.72 2phx h SER 38 Ca -0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2phx h SER 38 Cb 0.00 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.39 2phx h SER 38 CO 0.00 0.50 0.00 0.59 -1.14 0.00 0.00 176.83 176.78 2phx n ASN 39 N -4.54 0.78 -0.09 3.07 3.02 -1.26 -4.89 115.26 111.36 2phx n ASN 39 Ca 0.16 -1.87 -0.01 0.00 -0.03 0.00 0.00 54.58 52.83 2phx n ASN 39 Cb 0.30 -0.08 -0.00 0.00 -0.61 0.00 0.00 39.78 39.38 2phx n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2phx n GLY 40 N 0.80 0.50 3.85 7.41 0.00 -0.48 -5.03 105.19 112.24 2phx n GLY 40 Ca 0.08 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 2phx n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2phx s ASN 41 N -2.37 6.77 0.52 1.61 0.02 -1.26 -4.78 114.94 115.44 2phx s ASN 41 Ca 0.00 1.05 -0.19 0.00 -1.02 0.00 0.00 52.86 52.70 2phx s ASN 41 Cb 0.00 -2.28 -0.07 0.00 0.02 0.00 0.00 41.25 38.92 2phx s ASN 41 CO 0.00 0.03 1.08 -2.16 0.02 0.00 0.00 177.10 176.06 2phx s PRO 42 N -2.28 3.56 0.21 -0.60 0.04 -1.26 -0.73 135.00 133.93 2phx s PRO 42 Ca 0.42 1.44 0.06 0.00 0.04 0.00 0.00 61.00 62.96 2phx s PRO 42 Cb -0.14 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 2phx s PRO 42 CO 0.20 -0.65 -0.10 0.14 0.04 0.00 0.00 177.00 176.63 2phx s VAL 43 N -1.96 1.51 0.75 -0.36 -7.23 -1.21 -4.85 120.40 107.04 2phx s VAL 43 Ca 0.69 -2.14 -0.12 0.00 -1.81 0.00 0.00 61.98 58.60 2phx s VAL 43 Cb -0.19 -2.11 0.04 0.00 0.56 0.00 0.00 36.38 34.68 2phx s VAL 43 CO 0.25 -0.55 1.12 0.00 -0.31 0.00 0.00 175.10 175.62 2phx s ALA 44 N -3.11 2.74 -1.03 1.32 0.00 -1.26 -4.57 121.76 115.84 2phx s ALA 44 Ca 0.23 -0.43 -0.08 0.00 0.00 0.00 0.00 51.96 51.68 2phx s ALA 44 Cb 0.02 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 2phx s ALA 44 CO 0.06 -1.38 0.88 0.45 0.00 0.00 0.00 175.76 175.77 2phx n SER 45 N -3.15 -6.52 -3.91 0.00 2.88 -0.38 -4.99 113.62 97.53 2phx n SER 45 Ca 0.07 -0.71 -0.10 0.00 -1.33 0.00 0.00 58.87 56.80 2phx n SER 45 Cb 0.58 -4.88 -0.11 0.00 -0.75 0.00 0.00 64.21 59.06 2phx n SER 45 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2phx s THR 46 N -3.36 0.09 -0.04 2.46 -1.32 -0.68 -5.00 115.64 107.79 2phx s THR 46 Ca 0.42 -0.74 -0.06 0.00 -1.21 0.00 0.00 61.69 60.10 2phx s THR 46 Cb -0.07 -0.34 0.01 0.00 -1.51 0.00 0.00 72.50 70.59 2phx s THR 46 CO 0.76 -0.40 0.15 0.54 -2.21 0.00 0.00 174.62 173.46 2phx s VAL 47 N -1.32 0.03 -0.04 5.08 0.11 -1.26 -1.01 120.40 121.99 2phx s VAL 47 Ca -0.14 -0.25 -0.28 0.00 -2.93 0.00 0.00 61.98 58.38 2phx s VAL 47 Cb -0.08 -0.31 0.06 0.00 -1.53 0.00 0.00 36.38 34.52 2phx s VAL 47 CO 0.00 -0.14 0.61 -0.83 -3.33 0.00 0.00 175.10 171.41 2phx s GLY 48 N -0.45 -0.50 0.06 6.54 0.00 -0.91 -0.56 107.32 111.50 2phx s GLY 48 Ca -0.05 1.10 -0.10 0.00 0.00 0.00 0.00 44.72 45.68 2phx s GLY 48 CO 0.01 0.77 0.20 0.50 0.00 0.00 0.00 173.10 174.58 2phx s ARG 49 N -1.31 0.77 0.07 2.90 0.52 -0.59 -1.73 118.95 119.58 2phx s ARG 49 Ca -0.11 -0.77 0.04 0.00 -0.52 0.00 0.00 55.73 54.37 2phx s ARG 49 Cb -0.01 0.32 -0.03 0.00 0.52 0.00 0.00 34.95 35.75 2phx s ARG 49 CO 0.08 -0.24 -0.10 0.96 0.02 0.00 0.00 175.30 176.02 2phx s ILE 50 N -3.15 0.85 0.03 1.52 -4.36 -0.49 -0.90 121.20 114.69 2phx s ILE 50 Ca -0.01 -1.36 0.01 0.00 -0.26 0.00 0.00 60.65 59.04 2phx s ILE 50 Cb 0.02 -1.03 -0.02 0.00 1.25 0.00 0.00 42.46 42.68 2phx s ILE 50 CO -0.07 -0.41 -0.05 -0.76 0.24 0.00 0.00 174.94 173.88 2phx s LEU 51 N -1.96 2.20 0.27 0.37 1.02 -0.56 -1.43 118.68 118.57 2phx s LEU 51 Ca -0.02 -0.44 -0.29 0.00 0.02 0.00 0.00 54.13 53.40 2phx s LEU 51 Cb -0.07 -0.09 -0.09 0.00 0.02 0.00 0.00 46.19 45.96 2phx s LEU 51 CO 0.01 -0.18 0.99 0.12 0.02 0.00 0.00 176.35 177.30 2phx s PHE 52 N -1.14 3.82 0.14 0.29 5.36 -0.44 -0.74 117.98 125.28 2phx s PHE 52 Ca -0.09 1.84 -0.14 0.00 -0.96 0.00 0.00 56.93 57.57 2phx s PHE 52 Cb -0.08 -3.06 0.02 0.00 -0.34 0.00 0.00 43.02 39.56 2phx s PHE 52 CO -0.00 0.13 1.68 1.03 -1.46 0.00 0.00 175.22 176.60 2phx h SER 53 N 3.89 0.66 -3.65 6.13 0.87 -1.21 -3.42 113.55 116.83 2phx h SER 53 Ca -0.46 -0.19 -0.52 0.00 -1.23 0.00 0.00 61.79 59.39 2phx h SER 53 Cb 1.20 -0.17 0.03 0.00 -0.44 0.00 0.00 62.40 63.02 2phx h SER 53 CO 0.67 0.68 0.57 0.00 -0.53 0.00 0.00 176.83 178.22 2phx s ALA 54 N -5.45 3.46 0.35 6.23 0.00 -1.26 -5.00 121.76 120.08 2phx s ALA 54 Ca -0.13 1.03 -0.26 0.00 0.00 0.00 0.00 51.96 52.60 2phx s ALA 54 Cb 0.11 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 2phx s ALA 54 CO 0.77 -0.39 1.01 -0.65 0.00 0.00 0.00 175.76 176.50 2phx s GLN 55 N -0.90 4.42 -0.16 0.00 -0.21 -1.26 -4.82 119.66 116.72 2phx s GLN 55 Ca 0.50 1.48 -0.10 0.00 0.02 0.00 0.00 55.36 57.26 2phx s GLN 55 Cb -0.35 -2.75 -0.05 0.00 1.00 0.00 0.00 33.01 30.86 2phx s GLN 55 CO 0.42 0.09 0.17 0.08 -2.12 0.00 0.00 175.29 173.93 2phx s VAL 56 N -1.56 5.41 -0.70 1.09 1.01 0.70 -4.91 120.40 121.43 2phx s VAL 56 Ca 0.52 0.27 -0.22 0.00 0.00 0.00 0.00 61.98 62.56 2phx s VAL 56 Cb -0.22 -3.48 0.08 0.00 0.00 0.00 0.00 36.38 32.76 2phx s VAL 56 CO 0.28 0.49 0.99 -2.28 0.00 0.00 0.00 175.10 174.58 2phx s HIS 57 N -0.08 2.73 0.05 5.22 2.46 -1.26 -1.47 115.29 122.94 2phx s HIS 57 Ca 0.12 -0.68 -0.16 0.00 0.47 0.00 0.00 55.06 54.81 2phx s HIS 57 Cb -0.12 -4.30 -0.24 0.00 -0.13 0.00 0.00 32.58 27.80 2phx s HIS 57 CO 0.01 -1.63 1.16 1.25 -2.47 0.00 0.00 174.74 173.06 2phx h LEU 58 N 11.23 0.80 -7.49 8.88 5.85 -1.06 -3.43 115.31 130.10 2phx h LEU 58 Ca -0.22 -0.75 -0.05 0.00 0.84 0.00 0.00 57.88 57.71 2phx h LEU 58 Cb 1.06 -0.24 -0.12 0.00 0.37 0.00 0.00 40.66 41.73 2phx h LEU 58 CO 1.18 1.44 -0.05 -1.66 -0.34 0.00 0.00 178.44 179.01 2phx s TRP 59 N -3.27 -0.16 -0.21 1.25 1.48 -1.11 -0.03 118.94 116.89 2phx s TRP 59 Ca -0.11 -0.16 -0.02 0.00 -1.06 0.00 0.00 56.10 54.74 2phx s TRP 59 Cb 0.06 0.29 0.06 0.00 -1.16 0.00 0.00 33.47 32.72 2phx s TRP 59 CO 0.89 -0.76 0.04 -2.00 -4.06 0.00 0.00 176.95 171.06 2phx s GLU 60 N -3.83 0.70 0.14 3.25 2.12 -0.44 -4.58 118.70 116.07 2phx s GLU 60 Ca 0.05 -0.52 -0.19 0.00 0.36 0.00 0.00 54.97 54.67 2phx s GLU 60 Cb 0.01 -2.11 0.02 0.00 0.26 0.00 0.00 34.13 32.31 2phx s GLU 60 CO -0.09 -0.68 1.68 -0.22 -0.54 0.00 0.00 175.26 175.41 2phx h LYS 61 N 8.22 -0.04 -0.02 4.30 3.64 -1.98 -1.52 116.57 129.17 2phx h LYS 61 Ca -0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2phx h LYS 61 Cb 1.10 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2phx h LYS 61 CO 0.36 -0.03 0.03 0.66 -2.27 0.00 0.00 179.45 178.19 2phx h SER 62 N -0.05 0.00 -0.05 4.20 4.64 -1.97 -2.80 113.55 117.53 2phx h SER 62 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2phx h SER 62 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2phx h SER 62 CO -0.29 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.13 2phx n SER 63 N -3.53 1.68 -2.76 4.97 3.41 -0.96 -4.99 113.62 111.44 2phx n SER 63 Ca -0.03 -1.46 -0.21 0.00 -0.26 0.00 0.00 58.87 56.92 2phx n SER 63 Cb 0.11 -0.03 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 2phx n SER 63 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2phx n SER 64 N 0.09 -5.59 -4.72 4.04 2.88 -0.61 -4.93 113.62 104.78 2phx n SER 64 Ca 0.03 -0.14 -0.26 0.00 -1.33 0.00 0.00 58.87 57.16 2phx n SER 64 Cb 0.17 -4.59 -0.07 0.00 -0.75 0.00 0.00 64.21 58.97 2phx n SER 64 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2phx s ARG 65 N -5.42 2.62 0.00 -1.46 0.52 -1.17 -3.45 118.95 110.59 2phx s ARG 65 Ca 0.17 -1.00 -0.00 0.00 -0.52 0.00 0.00 55.73 54.38 2phx s ARG 65 Cb -0.08 -2.49 -0.00 0.00 0.52 0.00 0.00 34.95 32.90 2phx s ARG 65 CO 0.21 0.47 -0.00 0.08 0.02 0.00 0.00 175.30 176.07 2phx s VAL 66 N -1.73 0.02 0.37 3.52 1.01 -0.54 -1.33 120.40 121.73 2phx s VAL 66 Ca 0.29 -0.19 -0.25 0.00 0.00 0.00 0.00 61.98 61.83 2phx s VAL 66 Cb -0.10 -0.07 -0.09 0.00 0.00 0.00 0.00 36.38 36.12 2phx s VAL 66 CO 0.21 -0.10 1.05 0.00 0.00 0.00 0.00 175.10 176.25 2phx s ALA 67 N -0.30 3.14 -0.22 5.51 0.00 0.95 -1.81 121.76 129.03 2phx s ALA 67 Ca -0.03 0.71 -0.13 0.00 0.00 0.00 0.00 51.96 52.51 2phx s ALA 67 Cb -0.02 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2phx s ALA 67 CO -0.00 -0.17 0.28 1.21 0.00 0.00 0.00 175.76 177.08 2phx s ASN 68 N -1.47 6.27 0.09 0.00 2.47 -0.15 -4.35 114.94 117.80 2phx s ASN 68 Ca 0.55 0.30 0.03 0.00 0.42 0.00 0.00 52.86 54.16 2phx s ASN 68 Cb -0.23 -2.17 -0.04 0.00 -1.45 0.00 0.00 41.25 37.36 2phx s ASN 68 CO 0.29 -0.01 -0.08 0.72 -3.72 0.00 0.00 177.10 174.30 2phx s PHE 69 N 1.22 0.94 -0.01 0.43 -0.12 -1.09 -1.57 117.98 117.78 2phx s PHE 69 Ca 0.13 -0.75 0.00 0.00 -0.05 0.00 0.00 56.93 56.27 2phx s PHE 69 Cb -0.14 -0.53 0.01 0.00 -0.63 0.00 0.00 43.02 41.73 2phx s PHE 69 CO 0.06 -0.07 -0.00 -0.65 -0.05 0.00 0.00 175.22 174.51 2phx s GLN 70 N -3.10 0.12 -0.11 1.99 -0.21 -0.10 -1.56 119.66 116.68 2phx s GLN 70 Ca 0.06 0.02 -0.00 0.00 0.02 0.00 0.00 55.36 55.47 2phx s GLN 70 Cb -0.00 -0.21 0.02 0.00 1.00 0.00 0.00 33.01 33.82 2phx s GLN 70 CO -0.02 -0.04 -0.08 0.45 -2.12 0.00 0.00 175.29 173.47 2phx s SER 71 N 0.40 2.19 -0.10 5.90 0.15 0.22 -1.33 113.70 121.14 2phx s SER 71 Ca -0.04 -0.32 0.02 0.00 0.70 0.00 0.00 55.95 56.32 2phx s SER 71 Cb -0.06 -0.87 -0.01 0.00 -1.71 0.00 0.00 66.02 63.37 2phx s SER 71 CO -0.01 -0.10 -0.16 -1.58 1.20 0.00 0.00 173.24 172.58 2phx s GLN 72 N 1.62 3.07 0.19 5.44 -0.44 -0.02 -0.84 119.66 128.68 2phx s GLN 72 Ca 0.04 -0.74 -0.18 0.00 -2.50 0.00 0.00 55.36 51.98 2phx s GLN 72 Cb -0.13 -2.48 0.03 0.00 -1.64 0.00 0.00 33.01 28.79 2phx s GLN 72 CO -0.08 0.31 0.52 -0.59 0.50 0.00 0.00 175.29 175.95 2phx s PHE 73 N 0.08 -0.13 0.01 1.67 -0.12 -0.36 -0.41 117.98 118.72 2phx s PHE 73 Ca -0.07 -0.21 0.03 0.00 -0.05 0.00 0.00 56.93 56.63 2phx s PHE 73 Cb -0.15 0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 42.62 2phx s PHE 73 CO 0.05 -0.91 -0.09 0.45 -0.05 0.00 0.00 175.22 174.67 2phx s SER 74 N -2.87 1.00 0.14 1.98 0.15 -0.97 -0.57 113.70 112.57 2phx s SER 74 Ca 0.09 -0.25 -0.11 0.00 0.70 0.00 0.00 55.95 56.38 2phx s SER 74 Cb -0.01 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 2phx s SER 74 CO -0.03 0.04 0.30 0.72 1.20 0.00 0.00 173.24 175.47 2phx s PHE 75 N -0.46 0.21 0.03 3.44 -0.71 -0.96 -0.66 117.98 118.86 2phx s PHE 75 Ca 0.01 -0.58 0.01 0.00 -1.04 0.00 0.00 56.93 55.32 2phx s PHE 75 Cb -0.05 0.03 -0.02 0.00 -1.21 0.00 0.00 43.02 41.77 2phx s PHE 75 CO 0.00 -0.70 -0.04 -1.12 -1.34 0.00 0.00 175.22 172.02 2phx s SER 76 N -2.91 0.43 0.01 1.98 0.01 -0.69 -0.90 113.70 111.63 2phx s SER 76 Ca 0.11 -0.56 0.06 0.00 1.31 0.00 0.00 55.95 56.88 2phx s SER 76 Cb 0.03 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.33 2phx s SER 76 CO -0.04 -0.30 -0.18 -0.76 0.41 0.00 0.00 173.24 172.37 2phx s LEU 77 N -1.62 2.08 -0.05 2.44 1.43 -1.26 -1.58 118.68 120.11 2phx s LEU 77 Ca -0.12 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 2phx s LEU 77 Cb -0.08 -0.89 0.02 0.00 0.03 0.00 0.00 46.19 45.27 2phx s LEU 77 CO -0.01 0.18 0.14 -0.75 0.23 0.00 0.00 176.35 176.14 2phx s LYS 78 N -0.67 0.13 -0.23 1.70 2.20 -1.21 -0.37 119.74 121.29 2phx s LYS 78 Ca 0.06 0.25 -0.23 0.00 -0.36 0.00 0.00 55.97 55.69 2phx s LYS 78 Cb -0.07 -0.02 0.06 0.00 -1.51 0.00 0.00 37.83 36.29 2phx s LYS 78 CO 0.00 -0.07 0.65 0.45 -0.36 0.00 0.00 175.35 176.02 2phx s SER 79 N 0.46 -0.67 0.28 1.43 0.15 -1.26 -1.02 113.70 113.07 2phx s SER 79 Ca -0.03 1.25 0.25 0.00 0.70 0.00 0.00 55.95 58.12 2phx s SER 79 Cb -0.05 1.26 0.74 0.00 -1.71 0.00 0.00 66.02 66.26 2phx s SER 79 CO -0.02 -0.26 1.74 1.55 1.20 0.00 0.00 173.24 177.45 2phx h PRO 80 N 4.94 0.00 -7.31 5.44 0.13 -1.98 -3.46 132.00 129.76 2phx h PRO 80 Ca -0.28 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.34 2phx h PRO 80 Cb 1.16 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.38 2phx h PRO 80 CO 0.12 0.00 0.37 -0.51 -0.23 0.00 0.00 178.00 177.75 2phx s LEU 81 N -4.97 3.20 0.30 1.56 1.43 -1.26 -4.96 118.68 113.99 2phx s LEU 81 Ca 0.09 1.64 0.25 0.00 -1.03 0.00 0.00 54.13 55.07 2phx s LEU 81 Cb 0.10 -4.50 0.63 0.00 0.03 0.00 0.00 46.19 42.45 2phx s LEU 81 CO 0.59 -1.35 1.71 0.77 0.23 0.00 0.00 176.35 178.31 2phx h SER 82 N -0.48 0.00 -2.15 2.29 4.64 -1.97 -3.36 113.55 112.52 2phx h SER 82 Ca -0.44 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.33 2phx h SER 82 Cb 1.21 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.89 2phx h SER 82 CO 0.57 0.00 -0.87 -0.46 -0.87 0.00 0.00 176.83 175.20 2phx n ASN 83 N -2.59 2.74 -4.70 4.97 6.94 -1.26 -5.09 115.26 116.27 2phx n ASN 83 Ca 0.05 -3.33 -0.41 0.00 -0.02 0.00 0.00 54.58 50.87 2phx n ASN 83 Cb 0.47 -0.60 0.01 0.00 -2.36 0.00 0.00 39.78 37.30 2phx n ASN 83 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2phx n GLY 84 N 0.22 0.49 3.16 4.83 0.00 -1.26 -4.58 105.19 108.07 2phx n GLY 84 Ca 0.28 0.18 -0.08 0.00 0.00 0.00 0.00 46.02 46.40 2phx n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2phx s ALA 85 N -1.21 0.29 -0.04 4.61 0.00 -1.25 -4.35 121.76 119.81 2phx s ALA 85 Ca 0.62 -1.04 0.09 0.00 0.00 0.00 0.00 51.96 51.63 2phx s ALA 85 Cb -0.51 0.51 -0.14 0.00 0.00 0.00 0.00 23.12 22.99 2phx s ALA 85 CO 0.58 -0.47 0.15 -0.25 0.00 0.00 0.00 175.76 175.77 2phx n ASP 86 N -0.02 2.78 0.00 0.00 8.00 0.55 -2.67 116.55 125.19 2phx n ASP 86 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 2phx n ASP 86 Cb 0.62 1.18 0.00 0.00 -0.02 0.00 0.00 41.12 42.90 2phx n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2phx n GLY 87 N 2.13 2.43 3.20 0.44 0.00 -1.23 -2.60 105.19 109.56 2phx n GLY 87 Ca -0.06 -1.66 -0.21 0.00 0.00 0.00 0.00 46.02 44.09 2phx n GLY 87 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2phx s ILE 88 N -1.81 1.32 0.01 -0.61 2.07 -0.86 -2.99 121.20 118.34 2phx s ILE 88 Ca 0.00 -1.21 0.01 0.00 -1.41 0.00 0.00 60.65 58.04 2phx s ILE 88 Cb 0.00 -1.20 -0.01 0.00 0.13 0.00 0.00 42.46 41.38 2phx s ILE 88 CO 0.00 -0.02 -0.03 0.00 -1.91 0.00 0.00 174.94 172.97 2phx s ALA 89 N -1.00 0.24 -0.05 1.50 0.00 0.10 -0.91 121.76 121.65 2phx s ALA 89 Ca 0.03 -0.32 -0.17 0.00 0.00 0.00 0.00 51.96 51.50 2phx s ALA 89 Cb -0.09 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 2phx s ALA 89 CO 0.02 -0.01 0.46 0.12 0.00 0.00 0.00 175.76 176.35 2phx s PHE 90 N -0.58 3.63 0.09 0.00 5.36 -0.47 -0.80 117.98 125.21 2phx s PHE 90 Ca -0.05 0.97 -0.05 0.00 -0.96 0.00 0.00 56.93 56.85 2phx s PHE 90 Cb -0.04 -2.44 -0.02 0.00 -0.34 0.00 0.00 43.02 40.18 2phx s PHE 90 CO -0.00 0.41 0.11 -0.59 -1.46 0.00 0.00 175.22 173.68 2phx s PHE 91 N -0.26 0.39 -0.06 10.12 -0.71 -0.00 -0.43 117.98 127.02 2phx s PHE 91 Ca 0.25 -0.85 0.01 0.00 -1.04 0.00 0.00 56.93 55.31 2phx s PHE 91 Cb -0.16 -0.22 0.02 0.00 -1.21 0.00 0.00 43.02 41.44 2phx s PHE 91 CO 0.12 -0.50 -0.09 0.42 -1.34 0.00 0.00 175.22 173.84 2phx s ILE 92 N -3.91 0.89 0.33 -4.49 1.01 -0.01 -1.78 121.20 113.24 2phx s ILE 92 Ca 0.09 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.36 2phx s ILE 92 Cb 0.06 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.68 2phx s ILE 92 CO -0.08 0.31 0.53 0.00 0.00 0.00 0.00 174.94 175.70 2phx s ALA 93 N 0.92 0.32 0.62 9.38 0.00 -0.78 -2.18 121.76 130.05 2phx s ALA 93 Ca -0.10 -1.27 -0.18 0.00 0.00 0.00 0.00 51.96 50.40 2phx s ALA 93 Cb -0.15 1.06 -0.02 0.00 0.00 0.00 0.00 23.12 24.00 2phx s ALA 93 CO 0.01 -0.84 1.24 -2.14 0.00 0.00 0.00 175.76 174.03 2phx s PRO 94 N -3.10 2.79 0.52 0.00 0.02 -1.26 -1.10 135.00 132.87 2phx s PRO 94 Ca 0.26 1.91 0.27 0.00 0.02 0.00 0.00 61.00 63.46 2phx s PRO 94 Cb -0.01 -1.89 1.39 0.00 0.02 0.00 0.00 34.50 34.01 2phx s PRO 94 CO 0.17 -1.37 1.94 -1.35 -0.33 0.00 0.00 177.00 176.05 2phx h PRO 95 N 0.71 0.05 -0.52 5.54 0.11 -1.86 -1.81 132.00 134.23 2phx h PRO 95 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2phx h PRO 95 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2phx h PRO 95 CO 0.54 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 2phx n ASP 96 N -4.34 2.64 -4.72 -2.05 3.85 -1.26 -4.87 116.55 105.79 2phx n ASP 96 Ca 0.14 -2.15 -0.42 0.00 -0.71 0.00 0.00 54.79 51.65 2phx n ASP 96 Cb 0.76 -0.37 -0.01 0.00 -1.35 0.00 0.00 41.12 40.15 2phx n ASP 96 CO 0.00 0.00 0.00 1.07 -1.01 0.00 0.00 177.20 177.26 2phx n THR 97 N 0.61 1.66 -4.23 2.12 5.66 -0.68 -5.02 114.28 114.40 2phx n THR 97 Ca 0.14 -0.41 -0.13 0.00 -3.05 0.00 0.00 64.05 60.60 2phx n THR 97 Cb 0.48 -1.74 -0.10 0.00 -1.55 0.00 0.00 70.33 67.41 2phx n THR 97 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2phx s THR 98 N -0.74 0.41 -0.00 1.09 -4.23 -1.26 -5.09 115.64 105.81 2phx s THR 98 Ca 0.58 -1.97 -0.30 0.00 -1.18 0.00 0.00 61.69 58.82 2phx s THR 98 Cb -0.54 -2.31 -0.06 0.00 1.34 0.00 0.00 72.50 70.93 2phx s THR 98 CO 0.58 -0.27 1.61 -0.63 -0.54 0.00 0.00 174.62 175.38 2phx s ILE 99 N -3.85 3.42 0.44 2.99 1.01 -1.26 -4.96 121.20 118.99 2phx s ILE 99 Ca 0.30 0.70 -0.24 0.00 0.00 0.00 0.00 60.65 61.41 2phx s ILE 99 Cb 0.07 -3.45 -0.08 0.00 0.01 0.00 0.00 42.46 39.01 2phx s ILE 99 CO 0.07 -0.03 1.18 -2.84 0.00 0.00 0.00 174.94 173.33 2phx s PRO 100 N 3.28 3.83 0.24 2.79 0.02 -1.26 -4.95 135.00 138.95 2phx s PRO 100 Ca 0.72 1.83 -0.31 0.00 0.02 0.00 0.00 61.00 63.26 2phx s PRO 100 Cb -0.35 -2.50 -0.12 0.00 0.02 0.00 0.00 34.50 31.56 2phx s PRO 100 CO 0.30 -0.51 1.66 -1.12 -0.33 0.00 0.00 177.00 177.00 2phx s SER 101 N -1.24 6.39 -0.60 2.53 0.01 -1.26 -2.16 113.70 117.36 2phx s SER 101 Ca 0.62 2.88 0.00 0.00 1.31 0.00 0.00 55.95 60.76 2phx s SER 101 Cb -0.30 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.32 2phx s SER 101 CO 0.37 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.69 2phx n GLY 102 N 3.27 0.80 0.86 3.44 0.00 -1.26 -4.49 105.19 107.81 2phx n GLY 102 Ca 0.13 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.65 2phx n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2phx n SER 103 N 0.47 2.30 -3.38 1.61 3.41 -0.92 -4.32 113.62 112.80 2phx n SER 103 Ca -0.06 -2.25 -0.24 0.00 -0.26 0.00 0.00 58.87 56.06 2phx n SER 103 Cb 0.23 -0.51 0.20 0.00 -0.26 0.00 0.00 64.21 63.88 2phx n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2phx n GLY 104 N 0.28 -2.54 7.00 5.00 0.00 -1.26 -0.03 105.19 113.64 2phx n GLY 104 Ca 0.08 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2phx n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2phx n GLY 105 N -3.19 3.33 0.00 -0.02 0.00 -1.26 -1.82 105.19 102.23 2phx n GLY 105 Ca 0.12 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.14 2phx n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2phx n GLY 106 N 0.00 -0.67 0.26 -0.02 0.00 -1.26 -1.35 105.19 102.15 2phx n GLY 106 Ca 0.00 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.14 2phx n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2phx n LEU 107 N -1.49 0.93 -1.31 0.99 4.77 -0.76 -4.94 117.00 115.20 2phx n LEU 107 Ca 0.01 -0.24 -0.16 0.00 -0.03 0.00 0.00 56.01 55.60 2phx n LEU 107 Cb 0.06 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 40.99 2phx n LEU 107 CO 0.05 0.16 -0.15 0.18 -1.33 0.00 0.00 177.39 176.30 2phx n LEU 108 N -0.51 -1.02 -0.09 2.23 4.77 -0.46 -1.50 117.00 120.42 2phx n LEU 108 Ca 0.16 0.39 -0.01 0.00 -0.03 0.00 0.00 56.01 56.52 2phx n LEU 108 Cb 0.31 -2.56 -0.01 0.00 -2.33 0.00 0.00 43.42 38.83 2phx n LEU 108 CO 0.22 -0.96 -0.01 0.61 -1.33 0.00 0.00 177.39 175.91 2phx n GLY 109 N -0.16 0.48 0.05 -0.72 0.00 0.96 -3.87 105.19 101.92 2phx n GLY 109 Ca -0.16 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 2phx n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2phx n LEU 110 N -0.13 0.00 -4.24 0.99 4.77 -0.56 -4.44 117.00 113.38 2phx n LEU 110 Ca -0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.77 2phx n LEU 110 Cb 0.12 0.27 -0.12 0.00 -2.33 0.00 0.00 43.42 41.37 2phx n LEU 110 CO 0.02 0.27 -0.48 -0.36 -1.33 0.00 0.00 177.39 175.51 2phx s PHE 111 N -2.31 1.49 0.14 -1.77 0.40 -1.18 -4.84 117.98 109.91 2phx s PHE 111 Ca -0.06 -0.47 -0.19 0.00 -0.60 0.00 0.00 56.93 55.61 2phx s PHE 111 Cb 0.04 -0.81 -0.07 0.00 0.51 0.00 0.00 43.02 42.69 2phx s PHE 111 CO 0.48 0.15 0.64 0.00 0.70 0.00 0.00 175.22 177.18 2phx s ALA 112 N -1.50 3.52 0.23 5.36 0.00 -1.26 -3.96 121.76 124.14 2phx s ALA 112 Ca 0.05 0.09 -0.08 0.00 0.00 0.00 0.00 51.96 52.02 2phx s ALA 112 Cb -0.08 -2.72 0.38 0.00 0.00 0.00 0.00 23.12 20.70 2phx s ALA 112 CO 0.03 0.37 1.68 -1.35 0.00 0.00 0.00 175.76 176.50 2phx h PRO 113 N 4.02 0.21 0.00 0.00 0.11 -1.79 -0.67 132.00 133.88 2phx h PRO 113 Ca -0.49 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2phx h PRO 113 Cb 1.20 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2phx h PRO 113 CO 0.65 0.14 -0.08 0.78 -0.21 0.00 0.00 178.00 179.28 2phx h GLY 114 N 0.22 0.00 -0.10 -0.55 0.00 -1.94 -3.16 103.07 97.53 2phx h GLY 114 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2phx h GLY 114 CO -0.50 0.00 -0.05 -1.30 0.00 0.00 0.00 176.54 174.69 2phx n THR 115 N -3.79 0.95 0.05 4.70 -2.24 -0.93 -4.82 114.28 108.20 2phx n THR 115 Ca -0.02 -1.05 0.20 0.00 -2.27 0.00 0.00 64.05 60.90 2phx n THR 115 Cb 0.18 0.39 0.73 0.00 -2.10 0.00 0.00 70.33 69.53 2phx n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2phx h ALA 116 N 0.00 2.30 -0.11 6.98 0.00 -1.10 -1.29 119.26 126.04 2phx h ALA 116 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2phx h ALA 116 Cb 0.82 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2phx h ALA 116 CO 0.00 -0.61 0.00 1.04 0.00 0.00 0.00 179.25 179.68 2phx n GLN 117 N -4.12 2.17 -3.36 0.00 6.02 -1.26 -1.11 117.38 115.73 2phx n GLN 117 Ca 0.08 -2.43 -0.45 0.00 -0.01 0.00 0.00 57.00 54.19 2phx n GLN 117 Cb 0.57 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.28 2phx n GLN 117 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2phx s ASN 118 N -2.14 6.10 0.46 1.08 3.84 -0.49 -4.95 114.94 118.85 2phx s ASN 118 Ca 0.29 -1.77 0.13 0.00 0.21 0.00 0.00 52.86 51.72 2phx s ASN 118 Cb 0.24 -2.17 1.05 0.00 -0.55 0.00 0.00 41.25 39.81 2phx s ASN 118 CO 0.05 -0.82 2.05 0.71 -2.79 0.00 0.00 177.10 176.31 2phx h THR 119 N 5.92 1.09 0.00 -5.21 1.35 -1.85 -1.38 112.91 112.83 2phx h THR 119 Ca -0.28 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2phx h THR 119 Cb 1.10 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2phx h THR 119 CO 1.00 0.11 0.00 -1.20 -0.25 0.00 0.00 175.52 175.18 2phx n SER 120 N -4.42 0.00 -0.40 5.36 7.64 -1.26 -3.36 113.62 117.18 2phx n SER 120 Ca -0.02 -0.76 0.08 0.00 1.01 0.00 0.00 58.87 59.18 2phx n SER 120 Cb 0.17 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2phx n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2phx n ALA 121 N -1.06 3.12 -2.36 -0.43 0.00 -0.52 -5.02 120.51 114.23 2phx n ALA 121 Ca 0.20 -0.55 -0.19 0.00 0.00 0.00 0.00 53.44 52.91 2phx n ALA 121 Cb 0.13 -0.57 -0.10 0.00 0.00 0.00 0.00 19.45 18.91 2phx n ALA 121 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2phx s ASN 122 N -1.86 2.27 -0.36 0.00 0.01 -1.21 -5.09 114.94 108.69 2phx s ASN 122 Ca 0.14 -1.17 0.01 0.00 -0.71 0.00 0.00 52.86 51.13 2phx s ASN 122 Cb 0.13 -0.08 0.14 0.00 0.41 0.00 0.00 41.25 41.86 2phx s ASN 122 CO 0.39 -0.39 0.23 -1.10 -1.51 0.00 0.00 177.10 174.72 2phx s GLN 123 N -3.78 0.63 -0.27 -0.60 -0.21 -1.26 -4.83 119.66 109.34 2phx s GLN 123 Ca 0.27 -1.47 -0.25 0.00 0.02 0.00 0.00 55.36 53.93 2phx s GLN 123 Cb 0.04 -1.35 0.07 0.00 1.00 0.00 0.00 33.01 32.77 2phx s GLN 123 CO 0.09 -1.24 0.74 0.54 -2.12 0.00 0.00 175.29 173.31 2phx s VAL 124 N 0.89 0.00 -0.10 1.09 0.11 -1.26 -4.29 120.40 116.84 2phx s VAL 124 Ca 0.20 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.29 2phx s VAL 124 Cb -0.19 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 2phx s VAL 124 CO -0.02 0.00 -0.23 -0.63 -3.33 0.00 0.00 175.10 170.89 2phx s ILE 125 N 0.38 1.98 0.03 7.04 1.01 -0.93 -1.12 121.20 129.60 2phx s ILE 125 Ca 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 2phx s ILE 125 Cb -0.05 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 2phx s ILE 125 CO 0.00 0.54 0.06 0.00 0.00 0.00 0.00 174.94 175.55 2phx s ALA 126 N 0.46 -0.00 -0.25 9.38 0.00 0.19 -0.83 121.76 130.70 2phx s ALA 126 Ca -0.16 -0.57 -0.00 0.00 0.00 0.00 0.00 51.96 51.22 2phx s ALA 126 Cb -0.17 0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.19 2phx s ALA 126 CO 0.07 -0.27 -0.08 0.08 0.00 0.00 0.00 175.76 175.55 2phx s VAL 127 N -2.32 2.66 0.05 0.00 1.01 0.43 -0.13 120.40 122.10 2phx s VAL 127 Ca -0.08 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 60.75 2phx s VAL 127 Cb -0.03 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2phx s VAL 127 CO -0.03 0.16 0.09 -1.83 0.00 0.00 0.00 175.10 173.48 2phx s GLU 128 N 1.27 3.00 -0.34 2.72 -1.05 -0.18 -1.36 118.70 122.76 2phx s GLU 128 Ca -0.02 -0.60 0.03 0.00 -0.15 0.00 0.00 54.97 54.24 2phx s GLU 128 Cb -0.17 -2.80 0.10 0.00 -0.44 0.00 0.00 34.13 30.82 2phx s GLU 128 CO -0.05 0.60 0.06 -0.06 0.95 0.00 0.00 175.26 176.75 2phx s PHE 129 N -1.34 3.46 -0.28 4.83 0.40 -0.09 -1.09 117.98 123.88 2phx s PHE 129 Ca 0.28 -2.82 -0.06 0.00 -0.60 0.00 0.00 56.93 53.72 2phx s PHE 129 Cb -0.12 -2.75 0.00 0.00 0.51 0.00 0.00 43.02 40.66 2phx s PHE 129 CO 0.20 -0.94 0.06 0.34 0.70 0.00 0.00 175.22 175.59 2phx s ASP 130 N 1.00 5.03 0.00 1.36 -1.08 -0.41 -2.03 116.67 120.54 2phx s ASP 130 Ca 0.11 -0.60 0.20 0.00 -0.52 0.00 0.00 52.55 51.74 2phx s ASP 130 Cb -0.19 -1.87 0.06 0.00 -1.46 0.00 0.00 42.92 39.46 2phx s ASP 130 CO -0.10 -0.15 1.04 0.35 0.52 0.00 0.00 175.17 176.83 2phx n THR 131 N 4.87 0.00 -4.25 1.71 -2.24 -1.07 -2.05 114.28 111.25 2phx n THR 131 Ca -0.15 -0.38 -0.29 0.00 -2.27 0.00 0.00 64.05 60.97 2phx n THR 131 Cb 0.49 1.31 -0.17 0.00 -2.10 0.00 0.00 70.33 69.86 2phx n THR 131 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2phx s PHE 132 N -2.01 1.94 -0.03 4.78 5.36 -1.25 -4.78 117.98 121.98 2phx s PHE 132 Ca 0.19 -0.97 0.13 0.00 -0.96 0.00 0.00 56.93 55.32 2phx s PHE 132 Cb 0.16 -1.43 0.23 0.00 -0.34 0.00 0.00 43.02 41.65 2phx s PHE 132 CO 0.40 -0.53 1.10 2.48 -1.46 0.00 0.00 175.22 177.21 2phx n TYR 133 N 4.47 0.00 -1.70 10.12 4.11 -1.26 -4.95 117.16 127.94 2phx n TYR 133 Ca -0.18 -0.44 -0.55 0.00 -0.00 0.00 0.00 57.90 56.73 2phx n TYR 133 Cb 0.51 -0.12 -0.07 0.00 -0.00 0.00 0.00 39.34 39.66 2phx n TYR 133 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2phx n ALA 134 N -0.08 0.05 0.25 -3.48 0.00 -1.26 -4.75 120.51 111.23 2phx n ALA 134 Ca 0.06 0.37 0.13 0.00 0.00 0.00 0.00 53.44 54.00 2phx n ALA 134 Cb 0.86 -2.28 0.65 0.00 0.00 0.00 0.00 19.45 18.68 2phx n ALA 134 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2phx h GLN 135 N 7.55 0.00 0.00 0.00 1.08 -1.93 0.19 115.11 122.00 2phx h GLN 135 Ca -0.47 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 56.59 2phx h GLN 135 Cb 1.31 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.71 2phx h GLN 135 CO 0.95 0.00 -1.02 0.38 -0.95 0.00 0.00 178.83 178.19 2phx h ASP 136 N 0.00 0.00 0.00 1.46 2.03 -1.97 -3.35 116.42 114.59 2phx h ASP 136 Ca 0.00 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.15 2phx h ASP 136 Cb 0.12 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.59 2phx h ASP 136 CO 0.00 0.54 -1.58 -0.24 -1.03 0.00 0.00 179.24 176.93 2phx n SER 137 N -3.03 3.11 -3.73 4.15 2.88 -1.02 -4.69 113.62 111.30 2phx n SER 137 Ca -0.04 -0.05 -0.40 0.00 -1.33 0.00 0.00 58.87 57.05 2phx n SER 137 Cb 0.79 -0.17 0.01 0.00 -0.75 0.00 0.00 64.21 64.09 2phx n SER 137 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2phx n ASN 138 N -2.82 6.59 0.25 -3.46 5.03 0.65 -4.84 115.26 116.66 2phx n ASN 138 Ca -0.18 -3.56 0.14 0.00 0.87 0.00 0.00 54.58 51.84 2phx n ASN 138 Cb 0.69 -1.14 0.81 0.00 -1.02 0.00 0.00 39.78 39.12 2phx n ASN 138 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 2phx h THR 139 N 2.82 0.66 0.00 3.41 1.35 -1.74 -2.15 112.91 117.26 2phx h THR 139 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.21 2phx h THR 139 Cb 0.47 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2phx h THR 139 CO 1.20 0.00 0.00 4.11 -0.25 0.00 0.00 175.52 180.58 2phx h TRP 140 N 0.00 0.00 -3.84 4.73 0.09 -1.91 -3.47 115.95 111.56 2phx h TRP 140 Ca 0.03 0.00 -0.49 0.00 0.09 0.00 0.00 58.89 58.52 2phx h TRP 140 Cb 0.16 0.00 0.02 0.00 0.08 0.00 0.00 29.16 29.42 2phx h TRP 140 CO 0.00 0.00 0.20 -0.51 0.09 0.00 0.00 178.44 178.22 2phx s ASP 141 N -4.72 6.46 0.77 0.11 1.01 -0.81 -4.76 116.67 114.72 2phx s ASP 141 Ca 0.09 1.21 -0.11 0.00 0.71 0.00 0.00 52.55 54.44 2phx s ASP 141 Cb 0.11 -2.36 0.05 0.00 1.01 0.00 0.00 42.92 41.73 2phx s ASP 141 CO 0.56 -0.52 1.09 -2.16 0.21 0.00 0.00 175.17 174.35 2phx s PRO 142 N -4.19 2.34 -1.17 8.23 0.04 -1.26 -4.92 135.00 134.07 2phx s PRO 142 Ca 0.52 0.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.21 2phx s PRO 142 Cb -0.10 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.59 2phx s PRO 142 CO 0.36 -1.46 2.49 -1.71 0.04 0.00 0.00 177.00 176.72 2phx n ASN 143 N -3.33 7.77 -3.60 6.66 5.15 -1.26 -4.83 115.26 121.82 2phx n ASN 143 Ca 0.07 -3.12 -0.04 0.00 -0.60 0.00 0.00 54.58 50.89 2phx n ASN 143 Cb 0.56 -1.35 -0.02 0.00 -0.53 0.00 0.00 39.78 38.44 2phx n ASN 143 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 2phx s TYR 144 N -1.11 -0.11 0.53 1.20 -0.85 -1.26 -5.09 117.35 110.66 2phx s TYR 144 Ca 0.56 0.06 -0.22 0.00 -0.52 0.00 0.00 57.07 56.95 2phx s TYR 144 Cb 0.22 0.51 -0.05 0.00 0.38 0.00 0.00 41.96 43.02 2phx s TYR 144 CO -0.12 -0.17 1.31 -1.25 -1.52 0.00 0.00 175.55 173.80 2phx s PRO 145 N -2.35 3.28 0.19 -3.49 0.04 -1.26 -4.85 135.00 126.55 2phx s PRO 145 Ca 0.10 2.11 -0.20 0.00 0.04 0.00 0.00 61.00 63.06 2phx s PRO 145 Cb -0.01 -2.28 0.04 0.00 0.04 0.00 0.00 34.50 32.29 2phx s PRO 145 CO -0.04 -1.04 0.56 -3.38 0.04 0.00 0.00 177.00 173.14 2phx s HIS 146 N -1.37 -0.28 -0.16 0.56 -3.43 -0.87 -1.84 115.29 107.91 2phx s HIS 146 Ca 0.70 -0.03 -0.06 0.00 -0.80 0.00 0.00 55.06 54.87 2phx s HIS 146 Cb -0.37 0.48 -0.04 0.00 -1.43 0.00 0.00 32.58 31.21 2phx s HIS 146 CO 0.44 -0.91 0.06 0.42 -2.00 0.00 0.00 174.74 172.75 2phx s ILE 147 N -3.83 4.83 0.09 -5.38 1.01 -0.62 -1.29 121.20 116.01 2phx s ILE 147 Ca 0.06 -0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.73 2phx s ILE 147 Cb -0.01 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 2phx s ILE 147 CO -0.06 0.51 -0.13 -0.83 0.00 0.00 0.00 174.94 174.43 2phx s GLY 148 N -0.05 0.89 -0.22 6.18 0.00 -0.25 -1.47 107.32 112.40 2phx s GLY 148 Ca 0.07 -1.11 -0.06 0.00 0.00 0.00 0.00 44.72 43.62 2phx s GLY 148 CO 0.01 -1.16 0.02 -0.42 0.00 0.00 0.00 173.10 171.55 2phx s ILE 149 N -1.82 3.99 -0.19 0.90 1.01 -0.38 -1.01 121.20 123.71 2phx s ILE 149 Ca 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 2phx s ILE 149 Cb -0.07 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 2phx s ILE 149 CO 0.02 0.40 -0.04 -1.81 0.00 0.00 0.00 174.94 173.51 2phx s ASP 150 N 1.29 4.56 -0.33 3.58 -0.00 0.82 -0.90 116.67 125.69 2phx s ASP 150 Ca 0.04 -0.26 0.01 0.00 -0.00 0.00 0.00 52.55 52.34 2phx s ASP 150 Cb -0.15 -1.76 0.10 0.00 -0.00 0.00 0.00 42.92 41.11 2phx s ASP 150 CO 0.01 0.07 0.08 -0.69 -0.00 0.00 0.00 175.17 174.65 2phx s VAL 151 N 0.93 1.47 -1.02 -1.27 1.01 -1.26 -0.64 120.40 119.63 2phx s VAL 151 Ca -0.00 -1.83 0.00 0.00 0.00 0.00 0.00 61.98 60.15 2phx s VAL 151 Cb -0.15 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.13 2phx s VAL 151 CO 0.01 -0.65 0.00 0.59 0.00 0.00 0.00 175.10 175.05 2phx n ASN 152 N 4.56 -5.15 -3.55 3.32 3.02 -0.28 -4.94 115.26 112.25 2phx n ASN 152 Ca 0.01 0.24 -0.17 0.00 -0.03 0.00 0.00 54.58 54.62 2phx n ASN 152 Cb 0.42 -3.49 -0.06 0.00 -0.61 0.00 0.00 39.78 36.03 2phx n ASN 152 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2phx s SER 153 N -2.48 -0.66 0.37 6.41 0.15 -1.26 -3.77 113.70 112.47 2phx s SER 153 Ca 0.00 0.83 0.27 0.00 0.70 0.00 0.00 55.95 57.75 2phx s SER 153 Cb 0.00 0.70 0.91 0.00 -1.71 0.00 0.00 66.02 65.92 2phx s SER 153 CO 0.00 -0.53 1.78 -0.29 1.20 0.00 0.00 173.24 175.40 2phx h ILE 154 N 3.23 0.00 -3.03 6.45 6.09 -1.48 -3.39 117.51 125.38 2phx h ILE 154 Ca -0.27 -0.54 -0.60 0.00 -1.37 0.00 0.00 64.86 62.07 2phx h ILE 154 Cb 1.15 1.47 -0.12 0.00 0.47 0.00 0.00 36.82 39.79 2phx h ILE 154 CO 0.33 0.00 0.65 -0.60 -3.07 0.00 0.00 178.15 175.46 2phx s ARG 155 N -3.35 3.30 0.36 2.19 3.52 -1.26 -4.92 118.95 118.80 2phx s ARG 155 Ca 0.05 -0.31 -0.26 0.00 -0.13 0.00 0.00 55.73 55.08 2phx s ARG 155 Cb 0.09 -4.09 -0.12 0.00 -1.56 0.00 0.00 34.95 29.27 2phx s ARG 155 CO 0.54 -1.63 1.08 0.43 -0.81 0.00 0.00 175.30 174.92 2phx n SER 156 N 7.78 1.65 0.26 -2.12 7.64 -1.26 -4.81 113.62 122.75 2phx n SER 156 Ca 0.02 1.12 0.15 0.00 1.01 0.00 0.00 58.87 61.17 2phx n SER 156 Cb 0.47 -1.37 0.60 0.00 -1.01 0.00 0.00 64.21 62.90 2phx n SER 156 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2phx h VAL 157 N 1.92 0.14 -1.63 0.44 -1.51 -1.35 -3.44 116.25 110.82 2phx h VAL 157 Ca -0.43 -0.70 0.06 0.00 -1.23 0.00 0.00 66.70 64.40 2phx h VAL 157 Cb 1.32 1.61 -0.22 0.00 -2.13 0.00 0.00 31.29 31.87 2phx h VAL 157 CO 0.59 0.06 0.49 -1.59 -1.23 0.00 0.00 177.57 175.89 2phx s LYS 158 N -3.64 0.66 0.11 5.19 -2.85 -1.23 -5.02 119.74 112.96 2phx s LYS 158 Ca 0.01 0.17 0.02 0.00 -1.00 0.00 0.00 55.97 55.17 2phx s LYS 158 Cb 0.09 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 36.13 2phx s LYS 158 CO 0.58 -0.21 -0.06 0.95 0.10 0.00 0.00 175.35 176.71 2phx s THR 159 N -1.10 0.70 0.03 3.79 -4.23 -1.26 -1.25 115.64 112.33 2phx s THR 159 Ca -0.03 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 58.55 2phx s THR 159 Cb -0.00 -1.73 -0.02 0.00 1.34 0.00 0.00 72.50 72.08 2phx s THR 159 CO 0.03 -0.83 -0.06 0.68 -0.54 0.00 0.00 174.62 173.90 2phx s VAL 160 N -3.62 0.41 0.35 2.29 -7.23 -0.54 -4.98 120.40 107.08 2phx s VAL 160 Ca 0.13 -1.00 -0.28 0.00 -1.81 0.00 0.00 61.98 59.02 2phx s VAL 160 Cb 0.05 -0.50 -0.10 0.00 0.56 0.00 0.00 36.38 36.39 2phx s VAL 160 CO -0.04 -0.40 1.34 -0.75 -0.31 0.00 0.00 175.10 174.94 2phx s LYS 161 N -1.49 4.27 0.04 4.82 2.20 -1.26 -1.58 119.74 126.73 2phx s LYS 161 Ca -0.11 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.78 2phx s LYS 161 Cb -0.10 -3.02 -0.03 0.00 -1.51 0.00 0.00 37.83 33.18 2phx s LYS 161 CO -0.00 -0.28 -0.04 -0.46 -0.36 0.00 0.00 175.35 174.21 2phx s TRP 162 N -1.15 0.43 -0.17 4.03 -0.00 -0.76 -4.77 118.94 116.55 2phx s TRP 162 Ca 0.50 -0.65 -0.04 0.00 -0.00 0.00 0.00 56.10 55.92 2phx s TRP 162 Cb -0.41 -0.29 -0.02 0.00 -0.00 0.00 0.00 33.47 32.75 2phx s TRP 162 CO 0.54 -0.20 -0.04 0.34 -0.00 0.00 0.00 176.95 177.60 2phx s ASP 163 N -1.85 4.68 -0.07 5.86 -1.08 -1.26 -4.43 116.67 118.52 2phx s ASP 163 Ca -0.09 -0.19 -0.24 0.00 -0.52 0.00 0.00 52.55 51.51 2phx s ASP 163 Cb -0.06 -1.77 -0.03 0.00 -1.46 0.00 0.00 42.92 39.60 2phx s ASP 163 CO -0.03 0.13 0.74 -0.60 0.52 0.00 0.00 175.17 175.94 2phx s ARG 164 N 0.60 4.44 -0.21 4.34 3.52 -1.26 -5.04 118.95 125.33 2phx s ARG 164 Ca -0.03 0.95 0.01 0.00 -0.13 0.00 0.00 55.73 56.53 2phx s ARG 164 Cb -0.14 -3.46 0.05 0.00 -1.56 0.00 0.00 34.95 29.83 2phx s ARG 164 CO 0.03 0.01 -0.09 1.03 -0.81 0.00 0.00 175.30 175.47 2phx s ARG 165 N 0.96 1.90 0.17 5.12 0.52 -1.26 -5.09 118.95 121.27 2phx s ARG 165 Ca 0.39 -0.87 -0.32 0.00 -0.52 0.00 0.00 55.73 54.41 2phx s ARG 165 Cb -0.18 -2.45 -0.11 0.00 0.52 0.00 0.00 34.95 32.73 2phx s ARG 165 CO 0.19 -0.47 1.75 0.34 0.02 0.00 0.00 175.30 177.13 2phx s ASP 166 N 1.40 6.41 0.00 0.23 2.15 -1.26 -2.57 116.67 123.02 2phx s ASP 166 Ca -0.02 2.81 0.00 0.00 0.43 0.00 0.00 52.55 55.76 2phx s ASP 166 Cb -0.17 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 2phx s ASP 166 CO -0.08 -0.98 0.00 0.61 -0.17 0.00 0.00 175.17 174.56 2phx n GLY 167 N 4.07 0.39 3.72 2.66 0.00 0.51 -5.00 105.19 111.54 2phx n GLY 167 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2phx n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2phx s GLN 168 N -0.71 3.67 0.27 1.61 -0.21 -1.06 -4.91 119.66 118.32 2phx s GLN 168 Ca 0.00 -0.28 -0.29 0.00 0.02 0.00 0.00 55.36 54.81 2phx s GLN 168 Cb 0.00 -3.16 -0.09 0.00 1.00 0.00 0.00 33.01 30.76 2phx s GLN 168 CO 0.00 0.50 1.04 -1.54 -2.12 0.00 0.00 175.29 173.17 2phx s SER 169 N -0.26 7.37 -0.16 5.90 1.04 -1.26 -4.51 113.70 121.83 2phx s SER 169 Ca 0.09 2.13 -0.03 0.00 0.48 0.00 0.00 55.95 58.62 2phx s SER 169 Cb -0.12 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.36 2phx s SER 169 CO 0.01 -0.05 -0.06 -0.22 0.98 0.00 0.00 173.24 173.90 2phx s LEU 170 N -1.44 3.07 -0.17 2.42 2.96 -0.08 -4.33 118.68 121.12 2phx s LEU 170 Ca 0.44 -0.21 -0.09 0.00 -0.22 0.00 0.00 54.13 54.05 2phx s LEU 170 Cb -0.29 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 2phx s LEU 170 CO 0.37 0.15 0.15 0.20 -1.32 0.00 0.00 176.35 175.89 2phx s ASN 171 N 0.48 6.29 -0.02 3.68 0.01 -0.07 -2.26 114.94 123.07 2phx s ASN 171 Ca -0.05 0.34 0.04 0.00 -0.71 0.00 0.00 52.86 52.48 2phx s ASN 171 Cb -0.15 -2.09 -0.01 0.00 0.41 0.00 0.00 41.25 39.41 2phx s ASN 171 CO 0.03 0.26 -0.13 -0.69 -1.51 0.00 0.00 177.10 175.05 2phx s VAL 172 N -0.13 1.07 -0.14 1.60 1.01 0.26 -0.62 120.40 123.46 2phx s VAL 172 Ca 0.11 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2phx s VAL 172 Cb -0.12 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.38 2phx s VAL 172 CO 0.01 0.31 -0.15 -0.22 0.00 0.00 0.00 175.10 175.04 2phx s LEU 173 N -0.21 1.75 -0.14 3.92 2.96 0.14 -1.22 118.68 125.88 2phx s LEU 173 Ca 0.03 -0.48 -0.00 0.00 -0.22 0.00 0.00 54.13 53.45 2phx s LEU 173 Cb -0.06 -1.19 -0.01 0.00 0.50 0.00 0.00 46.19 45.43 2phx s LEU 173 CO -0.00 -0.02 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.19 2phx s VAL 174 N 1.26 2.99 0.07 1.68 1.01 -0.02 -1.50 120.40 125.90 2phx s VAL 174 Ca 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.34 2phx s VAL 174 Cb -0.14 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 2phx s VAL 174 CO -0.07 0.51 -0.09 0.42 0.00 0.00 0.00 175.10 175.88 2phx s THR 175 N 0.53 0.74 -0.06 3.92 -4.23 -0.29 -0.61 115.64 115.66 2phx s THR 175 Ca -0.08 -1.46 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 2phx s THR 175 Cb -0.16 -1.12 0.02 0.00 1.34 0.00 0.00 72.50 72.59 2phx s THR 175 CO 0.04 -0.53 -0.04 0.12 -0.54 0.00 0.00 174.62 173.66 2phx s PHE 176 N -2.20 0.84 -0.30 3.99 5.36 -0.60 -0.38 117.98 124.69 2phx s PHE 176 Ca 0.00 -0.27 -0.04 0.00 -0.96 0.00 0.00 56.93 55.67 2phx s PHE 176 Cb -0.04 -0.77 0.04 0.00 -0.34 0.00 0.00 43.02 41.91 2phx s PHE 176 CO -0.01 -0.25 0.02 1.21 -1.46 0.00 0.00 175.22 174.74 2phx s ASN 177 N 1.17 4.90 0.60 6.13 3.84 -0.82 -2.69 114.94 128.07 2phx s ASN 177 Ca -0.07 -1.08 0.38 0.00 0.21 0.00 0.00 52.86 52.30 2phx s ASN 177 Cb -0.14 -1.76 1.81 0.00 -0.55 0.00 0.00 41.25 40.61 2phx s ASN 177 CO -0.01 -0.24 2.15 1.55 -2.79 0.00 0.00 177.10 177.76 2phx h PRO 178 N 8.09 0.00 -0.33 0.43 0.13 -1.88 0.38 132.00 138.81 2phx h PRO 178 Ca -0.25 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.80 2phx h PRO 178 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2phx h PRO 178 CO 0.57 0.01 -0.09 1.03 -0.23 0.00 0.00 178.00 179.29 2phx h SER 179 N 0.00 0.66 0.00 1.44 0.87 -1.94 -3.26 113.55 111.32 2phx h SER 179 Ca -0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2phx h SER 179 Cb 0.29 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2phx h SER 179 CO 0.00 0.88 -1.15 0.35 -0.53 0.00 0.00 176.83 176.38 2phx n THR 180 N -4.42 0.00 -1.86 2.23 -2.24 -1.13 -4.97 114.28 101.89 2phx n THR 180 Ca -0.02 -0.16 -0.17 0.00 -2.27 0.00 0.00 64.05 61.43 2phx n THR 180 Cb 0.34 0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 69.28 2phx n THR 180 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2phx n ARG 181 N -1.63 -1.28 -3.14 -0.78 1.74 0.13 -4.88 116.66 106.82 2phx n ARG 181 Ca 0.02 0.99 -0.39 0.00 -0.77 0.00 0.00 57.85 57.70 2phx n ARG 181 Cb 0.35 -5.33 -0.05 0.00 -1.02 0.00 0.00 32.46 26.41 2phx n ARG 181 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2phx s ASN 182 N -2.56 6.90 -0.33 0.55 -0.87 -1.12 -1.26 114.94 116.25 2phx s ASN 182 Ca 0.00 1.08 -0.11 0.00 -1.57 0.00 0.00 52.86 52.26 2phx s ASN 182 Cb 0.00 -2.37 -0.00 0.00 -0.02 0.00 0.00 41.25 38.85 2phx s ASN 182 CO 0.00 -0.06 0.19 -0.22 -2.57 0.00 0.00 177.10 174.44 2phx s LEU 183 N 0.64 4.35 -0.04 0.60 2.96 0.55 -1.94 118.68 125.80 2phx s LEU 183 Ca 0.34 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 2phx s LEU 183 Cb -0.17 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 2phx s LEU 183 CO 0.16 -0.24 -0.05 -1.81 -1.32 0.00 0.00 176.35 173.08 2phx s ASP 184 N 1.64 4.76 -0.07 3.68 1.01 0.48 -1.33 116.67 126.84 2phx s ASP 184 Ca 0.05 -0.05 0.02 0.00 0.71 0.00 0.00 52.55 53.28 2phx s ASP 184 Cb -0.17 -1.19 0.02 0.00 1.01 0.00 0.00 42.92 42.58 2phx s ASP 184 CO 0.08 0.33 -0.11 -0.69 0.21 0.00 0.00 175.17 174.98 2phx s VAL 185 N -0.92 1.10 -0.08 -1.27 1.01 0.08 -1.14 120.40 119.20 2phx s VAL 185 Ca 0.15 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.70 2phx s VAL 185 Cb -0.11 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.26 2phx s VAL 185 CO 0.05 0.35 -0.09 0.54 0.00 0.00 0.00 175.10 175.95 2phx s VAL 186 N 0.87 0.96 0.01 2.92 0.11 -0.56 -1.57 120.40 123.16 2phx s VAL 186 Ca -0.11 -0.33 0.05 0.00 -2.93 0.00 0.00 61.98 58.66 2phx s VAL 186 Cb -0.15 -0.94 -0.02 0.00 -1.53 0.00 0.00 36.38 33.75 2phx s VAL 186 CO 0.01 0.33 -0.14 0.00 -3.33 0.00 0.00 175.10 171.97 2phx s ALA 187 N 1.11 1.21 0.02 1.54 0.00 -0.05 -0.69 121.76 124.90 2phx s ALA 187 Ca -0.07 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 2phx s ALA 187 Cb -0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 2phx s ALA 187 CO -0.01 0.27 -0.02 0.99 0.00 0.00 0.00 175.76 176.99 2phx s THR 188 N -0.57 0.11 0.36 0.00 2.01 0.21 -0.87 115.64 116.90 2phx s THR 188 Ca 0.04 -0.94 0.07 0.00 0.31 0.00 0.00 61.69 61.17 2phx s THR 188 Cb -0.07 -0.33 -0.00 0.00 0.01 0.00 0.00 72.50 72.11 2phx s THR 188 CO 0.00 -0.52 0.49 -0.31 -0.69 0.00 0.00 174.62 173.60 2phx s TYR 189 N -1.58 3.00 -0.27 4.92 1.51 -0.72 -0.89 117.35 123.32 2phx s TYR 189 Ca -0.15 -0.29 0.24 0.00 -1.01 0.00 0.00 57.07 55.86 2phx s TYR 189 Cb -0.09 -2.11 1.15 0.00 -0.11 0.00 0.00 41.96 40.80 2phx s TYR 189 CO -0.01 -0.14 1.72 0.77 -1.11 0.00 0.00 175.55 176.78 2phx h SER 190 N 0.83 0.00 -0.43 2.29 0.02 -1.90 -1.55 113.55 112.81 2phx h SER 190 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2phx h SER 190 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2phx h SER 190 CO 0.51 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.30 2phx n ASP 191 N -2.31 2.55 0.00 3.07 5.75 -1.26 -4.91 116.55 119.44 2phx n ASP 191 Ca 0.00 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 2phx n ASP 191 Cb 0.12 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 2phx n ASP 191 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2phx n GLY 192 N 1.28 0.91 3.72 6.12 0.00 -0.58 -5.03 105.19 111.61 2phx n GLY 192 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2phx n GLY 192 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2phx s THR 193 N -2.78 2.34 0.06 2.61 2.01 -1.25 -4.81 115.64 113.82 2phx s THR 193 Ca 0.00 0.24 0.07 0.00 0.31 0.00 0.00 61.69 62.32 2phx s THR 193 Cb 0.00 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 2phx s THR 193 CO 0.00 0.02 -0.20 -0.60 -0.69 0.00 0.00 174.62 173.15 2phx s ARG 194 N 1.10 1.23 -0.00 4.92 3.52 -1.26 -1.76 118.95 126.70 2phx s ARG 194 Ca 0.72 -0.98 0.04 0.00 -0.13 0.00 0.00 55.73 55.38 2phx s ARG 194 Cb -0.47 -1.38 -0.01 0.00 -1.56 0.00 0.00 34.95 31.54 2phx s ARG 194 CO 0.32 0.34 -0.13 0.71 -0.81 0.00 0.00 175.30 175.73 2phx s TYR 195 N -0.93 1.14 -0.04 5.12 1.51 -0.05 -4.99 117.35 119.10 2phx s TYR 195 Ca 0.06 -0.24 -0.04 0.00 -1.01 0.00 0.00 57.07 55.85 2phx s TYR 195 Cb -0.09 -0.72 0.02 0.00 -0.11 0.00 0.00 41.96 41.06 2phx s TYR 195 CO 0.02 -0.01 0.11 -1.21 -1.11 0.00 0.00 175.55 173.36 2phx s GLU 196 N -0.46 0.12 -0.10 -0.62 2.02 -1.26 -0.87 118.70 117.53 2phx s GLU 196 Ca 0.04 0.19 -0.15 0.00 0.02 0.00 0.00 54.97 55.07 2phx s GLU 196 Cb -0.05 0.01 0.03 0.00 0.10 0.00 0.00 34.13 34.22 2phx s GLU 196 CO -0.00 -0.04 0.38 0.54 0.02 0.00 0.00 175.26 176.15 2phx s VAL 197 N 0.27 0.02 0.04 2.63 0.11 -0.61 -4.99 120.40 117.87 2phx s VAL 197 Ca -0.02 -0.15 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 2phx s VAL 197 Cb -0.03 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.21 2phx s VAL 197 CO -0.01 -0.08 -0.04 -0.44 -3.33 0.00 0.00 175.10 171.20 2phx s SER 198 N -0.33 0.51 -0.10 3.54 0.01 -1.26 -0.74 113.70 115.33 2phx s SER 198 Ca -0.05 -0.64 -0.12 0.00 1.31 0.00 0.00 55.95 56.45 2phx s SER 198 Cb -0.03 0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.33 2phx s SER 198 CO 0.02 -0.34 0.32 -0.47 0.41 0.00 0.00 173.24 173.18 2phx s TYR 199 N -2.04 -0.32 -0.22 2.43 6.14 -0.44 -4.98 117.35 117.92 2phx s TYR 199 Ca -0.08 0.77 -0.16 0.00 0.64 0.00 0.00 57.07 58.24 2phx s TYR 199 Cb -0.06 0.12 -0.04 0.00 0.42 0.00 0.00 41.96 42.40 2phx s TYR 199 CO -0.03 -0.21 0.41 -2.00 0.64 0.00 0.00 175.55 174.36 2phx s GLU 200 N -0.08 4.13 -0.12 4.97 2.12 -1.26 -0.33 118.70 128.14 2phx s GLU 200 Ca -0.02 0.19 -0.09 0.00 0.36 0.00 0.00 54.97 55.41 2phx s GLU 200 Cb -0.03 -3.57 0.04 0.00 0.26 0.00 0.00 34.13 30.83 2phx s GLU 200 CO 0.01 -0.12 0.30 0.54 -0.54 0.00 0.00 175.26 175.45 2phx s VAL 201 N 1.56 -0.01 -0.56 3.70 0.11 -0.39 -4.99 120.40 119.81 2phx s VAL 201 Ca 0.19 0.05 -0.22 0.00 -2.93 0.00 0.00 61.98 59.07 2phx s VAL 201 Cb -0.15 -0.43 0.05 0.00 -1.53 0.00 0.00 36.38 34.32 2phx s VAL 201 CO 0.08 0.02 0.85 -0.62 -3.33 0.00 0.00 175.10 172.10 2phx s ASP 202 N 0.61 6.26 0.57 3.54 -1.08 -1.26 -4.74 116.67 120.57 2phx s ASP 202 Ca -0.04 -0.69 0.30 0.00 -0.52 0.00 0.00 52.55 51.60 2phx s ASP 202 Cb -0.05 -2.39 1.71 0.00 -1.46 0.00 0.00 42.92 40.73 2phx s ASP 202 CO -0.04 -1.17 2.18 -0.37 0.52 0.00 0.00 175.17 176.29 2phx h VAL 203 N 5.96 0.47 0.00 1.11 -1.51 -1.97 -2.15 116.25 118.16 2phx h VAL 203 Ca -0.27 -0.26 -0.02 0.00 -1.23 0.00 0.00 66.70 64.93 2phx h VAL 203 Cb 1.08 1.17 -0.00 0.00 -2.13 0.00 0.00 31.29 31.41 2phx h VAL 203 CO 1.07 0.05 -0.07 0.03 -1.23 0.00 0.00 177.57 177.42 2phx h ARG 204 N 0.00 0.00 -0.00 5.19 3.08 -1.91 -1.01 114.38 119.73 2phx h ARG 204 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2phx h ARG 204 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2phx h ARG 204 CO 0.01 0.07 -0.41 -1.13 -1.07 0.00 0.00 179.97 177.44 2phx n SER 205 N -3.42 0.68 -0.03 7.04 3.41 -0.81 -4.39 113.62 116.11 2phx n SER 205 Ca -0.01 -0.48 -0.03 0.00 -0.26 0.00 0.00 58.87 58.09 2phx n SER 205 Cb 0.22 0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 64.34 2phx n SER 205 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2phx n VAL 206 N -1.19 0.34 -4.39 -3.33 3.14 -0.75 -5.07 118.33 107.07 2phx n VAL 206 Ca 0.08 -0.19 -0.23 0.00 -2.96 0.00 0.00 64.34 61.04 2phx n VAL 206 Cb 0.34 -0.84 -0.11 0.00 -1.06 0.00 0.00 33.84 32.17 2phx n VAL 206 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2phx s LEU 207 N -4.57 2.51 0.93 6.55 1.43 -0.46 -4.59 118.68 120.48 2phx s LEU 207 Ca -0.04 -0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 51.99 2phx s LEU 207 Cb 0.02 -0.94 0.15 0.00 0.03 0.00 0.00 46.19 45.45 2phx s LEU 207 CO 0.19 -0.01 1.12 -2.16 0.23 0.00 0.00 176.35 175.71 2phx s PRO 208 N -3.17 0.96 0.34 1.29 0.04 -1.26 -4.66 135.00 128.54 2phx s PRO 208 Ca 0.22 0.40 0.01 0.00 0.04 0.00 0.00 61.00 61.68 2phx s PRO 208 Cb -0.05 -1.81 0.60 0.00 0.04 0.00 0.00 34.50 33.28 2phx s PRO 208 CO 0.10 -2.35 2.00 0.93 0.04 0.00 0.00 177.00 177.72 2phx h GLU 209 N -1.61 0.88 -5.76 4.56 5.08 -1.96 -3.41 114.58 112.36 2phx h GLU 209 Ca -0.52 -0.05 -0.67 0.00 -1.00 0.00 0.00 59.36 57.12 2phx h GLU 209 Cb 1.33 -0.20 -0.25 0.00 0.50 0.00 0.00 28.75 30.13 2phx h GLU 209 CO 0.60 0.58 -0.76 -1.58 -1.00 0.00 0.00 179.01 176.85 2phx s TRP 210 N -5.77 2.77 0.26 4.33 0.52 -1.26 -0.45 118.94 119.34 2phx s TRP 210 Ca -0.10 -0.42 0.02 0.00 0.02 0.00 0.00 56.10 55.62 2phx s TRP 210 Cb 0.18 -1.75 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 2phx s TRP 210 CO 0.77 -0.03 0.18 0.14 0.02 0.00 0.00 176.95 178.03 2phx s VAL 211 N -0.13 0.08 0.17 4.03 -7.23 -0.54 -4.28 120.40 112.48 2phx s VAL 211 Ca -0.01 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.27 2phx s VAL 211 Cb -0.14 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 2phx s VAL 211 CO 0.03 0.00 -0.25 -0.13 -0.31 0.00 0.00 175.10 174.45 2phx s ARG 212 N -3.88 1.45 0.10 4.82 0.52 -0.26 -0.22 118.95 121.49 2phx s ARG 212 Ca 0.39 -1.44 0.10 0.00 -0.52 0.00 0.00 55.73 54.26 2phx s ARG 212 Cb 0.05 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 33.66 2phx s ARG 212 CO 0.18 0.41 -0.26 0.54 0.02 0.00 0.00 175.30 176.19 2phx s VAL 213 N -1.44 2.12 0.00 3.52 0.11 -1.26 -1.87 120.40 121.58 2phx s VAL 213 Ca 0.18 -1.62 0.00 0.00 -2.93 0.00 0.00 61.98 57.61 2phx s VAL 213 Cb -0.09 -1.87 0.00 0.00 -1.53 0.00 0.00 36.38 32.90 2phx s VAL 213 CO 0.08 0.13 0.00 0.61 -3.33 0.00 0.00 175.10 172.59 2phx n GLY 214 N 1.16 1.02 3.15 6.54 0.00 -0.73 -1.32 105.19 115.01 2phx n GLY 214 Ca -0.18 -0.59 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 2phx n GLY 214 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2phx s PHE 215 N -2.06 1.00 0.01 1.61 0.40 -0.52 -0.82 117.98 117.60 2phx s PHE 215 Ca 0.00 -0.60 -0.02 0.00 -0.60 0.00 0.00 56.93 55.71 2phx s PHE 215 Cb 0.00 -0.56 -0.01 0.00 0.51 0.00 0.00 43.02 42.96 2phx s PHE 215 CO 0.00 -0.01 0.03 0.45 0.70 0.00 0.00 175.22 176.38 2phx s SER 216 N -2.16 0.15 0.12 1.36 0.15 0.02 -1.40 113.70 111.93 2phx s SER 216 Ca 0.01 -0.36 -0.16 0.00 0.70 0.00 0.00 55.95 56.15 2phx s SER 216 Cb -0.05 0.13 0.03 0.00 -1.71 0.00 0.00 66.02 64.42 2phx s SER 216 CO 0.00 -0.29 0.39 0.00 1.20 0.00 0.00 173.24 174.54 2phx s ALA 217 N -1.30 -0.92 0.17 5.45 0.00 -0.71 0.02 121.76 124.48 2phx s ALA 217 Ca -0.14 -0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.59 2phx s ALA 217 Cb -0.08 0.66 0.04 0.00 0.00 0.00 0.00 23.12 23.74 2phx s ALA 217 CO -0.00 -0.62 0.52 0.00 0.00 0.00 0.00 175.76 175.65 2phx s ALA 218 N -3.70 -1.17 -0.02 0.00 0.00 -1.16 -2.13 121.76 113.57 2phx s ALA 218 Ca 0.02 0.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.05 2phx s ALA 218 Cb 0.02 0.82 0.03 0.00 0.00 0.00 0.00 23.12 23.98 2phx s ALA 218 CO -0.11 -0.75 0.03 -1.12 0.00 0.00 0.00 175.76 173.80 2phx s SER 219 N -2.81 0.05 0.00 0.00 0.01 -0.18 -0.33 113.70 110.43 2phx s SER 219 Ca 0.05 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2phx s SER 219 Cb -0.00 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2phx s SER 219 CO -0.09 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2phx n GLY 220 N 4.03 0.39 0.15 3.44 0.00 -1.26 -1.68 105.19 110.26 2phx n GLY 220 Ca -0.26 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.78 2phx n GLY 220 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2phx h GLU 221 N 0.00 0.00 -6.20 1.61 5.08 -1.97 -1.00 114.58 112.10 2phx h GLU 221 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 2phx h GLU 221 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2phx h GLU 221 CO 0.00 0.55 -0.47 -0.65 -1.00 0.00 0.00 179.01 177.44 2phx s GLN 222 N -3.44 3.09 0.20 2.33 1.11 -1.26 -4.84 119.66 116.85 2phx s GLN 222 Ca 0.00 -0.98 -0.15 0.00 0.01 0.00 0.00 55.36 54.24 2phx s GLN 222 Cb 0.11 -2.68 0.01 0.00 -1.01 0.00 0.00 33.01 29.44 2phx s GLN 222 CO 0.74 0.36 0.48 1.52 0.01 0.00 0.00 175.29 178.40 2phx s TYR 223 N -2.10 0.07 -0.11 0.91 1.13 -1.25 -4.29 117.35 111.72 2phx s TYR 223 Ca 0.35 -0.43 -0.31 0.00 -1.41 0.00 0.00 57.07 55.27 2phx s TYR 223 Cb -0.08 0.28 0.12 0.00 -1.10 0.00 0.00 41.96 41.18 2phx s TYR 223 CO 0.27 -0.91 1.04 1.14 -2.51 0.00 0.00 175.55 174.58 2phx s GLN 224 N -3.92 0.57 0.54 -3.49 -2.07 -1.09 -3.75 119.66 106.45 2phx s GLN 224 Ca 0.13 -0.16 -0.17 0.00 -1.82 0.00 0.00 55.36 53.34 2phx s GLN 224 Cb -0.00 0.26 -0.07 0.00 -1.09 0.00 0.00 33.01 32.11 2phx s GLN 224 CO 0.00 -0.24 1.02 0.95 -1.32 0.00 0.00 175.29 175.70 2phx s THR 225 N -2.52 4.16 -0.36 3.63 -4.23 -0.18 -4.87 115.64 111.26 2phx s THR 225 Ca 0.06 1.09 0.00 0.00 -1.18 0.00 0.00 61.69 61.66 2phx s THR 225 Cb -0.01 -3.55 0.12 0.00 1.34 0.00 0.00 72.50 70.39 2phx s THR 225 CO -0.06 -0.55 0.16 -1.00 -0.54 0.00 0.00 174.62 172.63 2phx s HIS 226 N -2.46 1.78 -0.33 3.99 0.09 -1.26 -3.34 115.29 113.77 2phx s HIS 226 Ca 0.62 -2.02 -0.10 0.00 -0.00 0.00 0.00 55.06 53.56 2phx s HIS 226 Cb -0.13 -1.75 -0.00 0.00 -0.00 0.00 0.00 32.58 30.70 2phx s HIS 226 CO 0.31 -0.84 0.17 0.99 -0.00 0.00 0.00 174.74 175.37 2phx s THR 227 N 1.09 4.64 -0.27 1.30 2.01 -0.62 -1.63 115.64 122.15 2phx s THR 227 Ca 0.13 -0.51 -0.19 0.00 0.31 0.00 0.00 61.69 61.44 2phx s THR 227 Cb -0.20 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 2phx s THR 227 CO -0.13 -0.00 0.58 -0.22 -0.69 0.00 0.00 174.62 174.16 2phx s LEU 228 N 1.61 4.09 -0.13 4.42 2.96 0.02 -1.70 118.68 129.93 2phx s LEU 228 Ca 0.04 0.55 0.14 0.00 -0.22 0.00 0.00 54.13 54.64 2phx s LEU 228 Cb -0.18 -2.77 -0.24 0.00 0.50 0.00 0.00 46.19 43.51 2phx s LEU 228 CO 0.07 -0.37 0.33 -0.62 -1.32 0.00 0.00 176.35 174.43 2phx n GLU 229 N 5.69 0.67 -3.45 1.98 1.02 0.16 -1.13 120.64 125.58 2phx n GLU 229 Ca -0.02 0.14 -0.11 0.00 -0.02 0.00 0.00 57.16 57.15 2phx n GLU 229 Cb 0.49 -1.65 -0.02 0.00 -0.02 0.00 0.00 31.44 30.24 2phx n GLU 229 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2phx s SER 230 N -5.86 -0.51 -0.28 1.62 1.04 -1.20 -4.29 113.70 104.22 2phx s SER 230 Ca -0.09 0.05 -0.19 0.00 0.48 0.00 0.00 55.95 56.20 2phx s SER 230 Cb 0.07 0.53 0.10 0.00 0.10 0.00 0.00 66.02 66.82 2phx s SER 230 CO 0.82 -0.84 0.80 0.86 0.98 0.00 0.00 173.24 175.86 2phx s TRP 231 N -3.37 -0.83 0.01 5.02 -0.00 -0.39 -2.28 118.94 117.10 2phx s TRP 231 Ca 0.01 1.76 0.03 0.00 -0.00 0.00 0.00 56.10 57.91 2phx s TRP 231 Cb -0.01 0.47 -0.01 0.00 -0.00 0.00 0.00 33.47 33.91 2phx s TRP 231 CO -0.10 -0.41 -0.10 -1.12 -0.00 0.00 0.00 176.95 175.22 2phx s SER 232 N 1.14 1.16 -0.03 5.86 0.01 0.45 0.50 113.70 122.80 2phx s SER 232 Ca -0.06 -0.29 -0.04 0.00 1.31 0.00 0.00 55.95 56.87 2phx s SER 232 Cb -0.05 -0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.10 2phx s SER 232 CO -0.13 0.04 0.10 0.12 0.41 0.00 0.00 173.24 173.79 2phx s PHE 233 N -0.54 -0.07 -0.05 2.43 2.19 -0.16 -0.84 117.98 120.94 2phx s PHE 233 Ca 0.01 0.17 -0.05 0.00 0.33 0.00 0.00 56.93 57.39 2phx s PHE 233 Cb -0.05 0.01 0.01 0.00 -1.31 0.00 0.00 43.02 41.68 2phx s PHE 233 CO 0.00 -0.10 0.13 0.99 1.83 0.00 0.00 175.22 178.07 2phx s THR 234 N -0.25 0.00 -0.07 0.12 2.01 -0.44 -1.31 115.64 115.70 2phx s THR 234 Ca -0.03 -0.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.88 2phx s THR 234 Cb -0.02 -0.20 0.02 0.00 0.01 0.00 0.00 72.50 72.31 2phx s THR 234 CO 0.00 -0.01 0.17 -0.55 -0.69 0.00 0.00 174.62 173.54 2phx s SER 235 N 0.02 -0.18 -0.07 3.53 0.15 -0.12 -0.93 113.70 116.10 2phx s SER 235 Ca -0.00 0.35 -0.04 0.00 0.70 0.00 0.00 55.95 56.96 2phx s SER 235 Cb -0.01 0.36 0.03 0.00 -1.71 0.00 0.00 66.02 64.69 2phx s SER 235 CO 0.00 -0.06 0.18 -0.89 1.20 0.00 0.00 173.24 173.67 2phx s THR 236 N 0.10 -0.03 0.13 6.45 2.01 -0.61 -1.20 115.64 122.49 2phx s THR 236 Ca -0.00 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 2phx s THR 236 Cb -0.01 -0.28 -0.07 0.00 0.01 0.00 0.00 72.50 72.15 2phx s THR 236 CO 0.00 0.05 1.17 -0.76 -0.69 0.00 0.00 174.62 174.39 2phx s LEU 237 N 0.92 4.43 0.08 4.42 1.43 -0.49 -0.98 118.68 128.49 2phx s LEU 237 Ca -0.07 2.11 0.06 0.00 -1.03 0.00 0.00 54.13 55.20 2phx s LEU 237 Cb -0.09 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 2phx s LEU 237 CO -0.05 -0.37 -0.16 -0.76 0.23 0.00 0.00 176.35 175.24 2phx s LEU 238 N 0.24 2.29 0.19 1.79 1.43 -0.75 -4.93 118.68 118.94 2phx s LEU 238 Ca 0.54 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 2phx s LEU 238 Cb -0.30 -0.64 -0.08 0.00 0.03 0.00 0.00 46.19 45.19 2phx s LEU 238 CO 0.33 -0.03 1.14 -0.31 0.23 0.00 0.00 176.35 177.71 2phx s TYR 239 N -1.27 3.51 0.00 0.29 2.02 -1.26 -1.47 117.35 119.18 2phx s TYR 239 Ca 0.01 1.53 0.00 0.00 -0.37 0.00 0.00 57.07 58.24 2phx s TYR 239 Cb -0.10 -3.35 0.00 0.00 -0.40 0.00 0.00 41.96 38.12 2phx s TYR 239 CO 0.03 -0.87 0.50 2.41 -1.57 0.00 0.00 175.55 176.05