#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2auy s SER 3 N 0.00 1.15 -0.06 -2.24 1.04 -1.26 -1.17 113.70 111.15 2auy s SER 3 Ca 0.00 -0.26 -0.08 0.00 0.48 0.00 0.00 55.95 56.10 2auy s SER 3 Cb 0.00 -0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.04 2auy s SER 3 CO 0.00 0.07 0.20 -0.22 0.98 0.00 0.00 173.24 174.27 2auy s LEU 4 N -0.52 1.25 -0.11 2.42 2.96 -0.47 -5.01 118.68 119.19 2auy s LEU 4 Ca 0.02 0.31 -0.17 0.00 -0.22 0.00 0.00 54.13 54.06 2auy s LEU 4 Cb -0.05 0.73 0.04 0.00 0.50 0.00 0.00 46.19 47.41 2auy s LEU 4 CO 0.00 -0.13 0.44 -0.55 -1.32 0.00 0.00 176.35 174.79 2auy s SER 5 N -0.18 -0.41 0.03 3.68 0.15 -1.26 -1.08 113.70 114.63 2auy s SER 5 Ca -0.03 0.65 -0.20 0.00 0.70 0.00 0.00 55.95 57.07 2auy s SER 5 Cb -0.03 0.70 0.04 0.00 -1.71 0.00 0.00 66.02 65.03 2auy s SER 5 CO 0.01 -0.29 0.46 0.72 1.20 0.00 0.00 173.24 175.34 2auy s PHE 6 N -0.37 -0.35 -0.04 3.44 -0.12 -0.33 -5.00 117.98 115.20 2auy s PHE 6 Ca -0.05 0.40 -0.02 0.00 -0.05 0.00 0.00 56.93 57.21 2auy s PHE 6 Cb -0.03 0.27 0.03 0.00 -0.63 0.00 0.00 43.02 42.65 2auy s PHE 6 CO 0.03 -0.58 0.09 0.20 -0.05 0.00 0.00 175.22 174.91 2auy s GLY 7 N -1.84 -0.00 -0.54 1.99 0.00 -1.26 -0.81 107.32 104.86 2auy s GLY 7 Ca -0.07 0.43 0.03 0.00 0.00 0.00 0.00 44.72 45.10 2auy s GLY 7 CO -0.00 0.65 0.29 -1.36 0.00 0.00 0.00 173.10 172.69 2auy s PHE 8 N 0.79 3.24 0.45 1.90 0.40 0.23 -4.93 117.98 120.05 2auy s PHE 8 Ca -0.06 -3.09 0.12 0.00 -0.60 0.00 0.00 56.93 53.30 2auy s PHE 8 Cb -0.08 -2.90 1.03 0.00 0.51 0.00 0.00 43.02 41.57 2auy s PHE 8 CO -0.03 -0.76 2.06 -1.35 0.70 0.00 0.00 175.22 175.84 2auy h PRO 9 N 6.61 0.20 -4.01 0.24 0.11 -1.91 -1.33 132.00 131.92 2auy h PRO 9 Ca -0.07 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.80 2auy h PRO 9 Cb 0.90 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 31.89 2auy h PRO 9 CO 0.69 0.20 -0.18 0.95 -0.21 0.00 0.00 178.00 179.45 2auy s THR 10 N -5.08 0.00 -0.60 -1.15 -4.23 -1.26 -4.51 115.64 98.81 2auy s THR 10 Ca -0.06 -1.56 0.04 0.00 -1.18 0.00 0.00 61.69 58.93 2auy s THR 10 Cb 0.17 -2.56 0.16 0.00 1.34 0.00 0.00 72.50 71.61 2auy s THR 10 CO 0.70 0.00 0.40 -0.36 -0.54 0.00 0.00 174.62 174.82 2auy s PHE 11 N -3.28 3.00 0.78 3.99 0.08 -0.38 -4.96 117.98 117.21 2auy s PHE 11 Ca 0.29 -3.08 -0.14 0.00 0.12 0.00 0.00 56.93 54.12 2auy s PHE 11 Cb -0.00 -2.41 0.07 0.00 -0.57 0.00 0.00 43.02 40.11 2auy s PHE 11 CO 0.17 -0.65 1.21 -2.14 -0.10 0.00 0.00 175.22 173.71 2auy s PRO 12 N -0.83 1.82 0.61 0.24 0.02 -1.26 -3.69 135.00 131.90 2auy s PRO 12 Ca 0.23 1.76 0.33 0.00 0.02 0.00 0.00 61.00 63.34 2auy s PRO 12 Cb -0.10 -1.80 1.96 0.00 0.02 0.00 0.00 34.50 34.58 2auy s PRO 12 CO -0.12 -2.08 2.27 1.03 -0.33 0.00 0.00 177.00 177.78 2auy h SER 13 N -0.69 0.00 -2.10 2.53 0.87 -1.96 -3.36 113.55 108.84 2auy h SER 13 Ca -0.47 0.00 -0.71 0.00 -1.23 0.00 0.00 61.79 59.38 2auy h SER 13 Cb 1.30 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 63.09 2auy h SER 13 CO 0.47 0.00 1.28 -0.62 -0.53 0.00 0.00 176.83 177.43 2auy s ASP 14 N -5.88 6.91 -0.04 6.23 2.15 -1.26 -5.00 116.67 119.78 2auy s ASP 14 Ca -0.05 -2.63 0.00 0.00 0.43 0.00 0.00 52.55 50.30 2auy s ASP 14 Cb 0.15 -2.42 -0.03 0.00 -0.30 0.00 0.00 42.92 40.31 2auy s ASP 14 CO 0.51 -0.89 0.00 -1.10 -0.17 0.00 0.00 175.17 173.52 2auy s GLN 15 N 2.21 2.88 0.00 4.34 -1.52 -1.26 -5.01 119.66 121.31 2auy s GLN 15 Ca 0.41 -0.52 0.00 0.00 -1.95 0.00 0.00 55.36 53.30 2auy s GLN 15 Cb -0.03 -2.73 0.00 0.00 -0.22 0.00 0.00 33.01 30.04 2auy s GLN 15 CO -0.02 0.66 0.00 1.63 -0.25 0.00 0.00 175.29 177.31 2auy n LYS 16 N 1.71 2.85 -0.75 2.91 4.76 -1.26 -4.82 118.16 123.56 2auy n LYS 16 Ca -0.16 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.32 2auy n LYS 16 Cb 0.53 -0.92 0.31 0.00 -1.84 0.00 0.00 35.03 33.12 2auy n LYS 16 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2auy n ASN 17 N -1.64 4.58 -4.41 4.39 3.02 -1.26 -4.95 115.26 114.99 2auy n ASN 17 Ca 0.00 -3.10 -0.32 0.00 -0.03 0.00 0.00 54.58 51.12 2auy n ASN 17 Cb 0.33 -0.64 -0.14 0.00 -0.61 0.00 0.00 39.78 38.71 2auy n ASN 17 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2auy s LEU 18 N -2.89 2.58 -0.31 3.41 1.43 -1.26 -0.72 118.68 120.92 2auy s LEU 18 Ca 0.49 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 53.17 2auy s LEU 18 Cb 0.39 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 45.06 2auy s LEU 18 CO 0.11 0.28 0.23 -0.63 0.23 0.00 0.00 176.35 176.58 2auy s ILE 19 N -0.37 5.28 -0.18 -0.59 1.01 0.20 -4.90 121.20 121.66 2auy s ILE 19 Ca 0.03 0.05 -0.14 0.00 0.00 0.00 0.00 60.65 60.60 2auy s ILE 19 Cb -0.12 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 2auy s ILE 19 CO 0.02 0.13 0.29 -0.36 0.00 0.00 0.00 174.94 175.02 2auy s PHE 20 N 1.78 3.43 0.03 3.97 0.08 -1.26 -1.66 117.98 124.35 2auy s PHE 20 Ca 0.08 0.55 0.07 0.00 0.12 0.00 0.00 56.93 57.74 2auy s PHE 20 Cb -0.17 -2.36 -0.02 0.00 -0.57 0.00 0.00 43.02 39.91 2auy s PHE 20 CO 0.11 0.18 -0.20 -0.65 -0.10 0.00 0.00 175.22 174.56 2auy s GLN 21 N 0.66 1.37 6.44 0.44 -0.21 0.04 -5.01 119.66 123.40 2auy s GLN 21 Ca 0.16 -0.86 0.00 0.00 0.02 0.00 0.00 55.36 54.67 2auy s GLN 21 Cb -0.13 -1.44 0.00 0.00 1.00 0.00 0.00 33.01 32.44 2auy s GLN 21 CO 0.04 0.37 0.00 0.41 -2.12 0.00 0.00 175.29 173.99 2auy n GLY 22 N 2.02 1.85 0.66 3.09 0.00 -1.26 -1.37 105.19 110.18 2auy n GLY 22 Ca -0.17 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.51 2auy n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2auy n ASP 23 N 5.07 2.07 -4.72 1.61 8.00 -0.08 -4.95 116.55 123.54 2auy n ASP 23 Ca 0.00 -1.69 -0.42 0.00 0.71 0.00 0.00 54.79 53.39 2auy n ASP 23 Cb 0.00 -0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 2auy n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2auy n ALA 24 N 0.62 1.65 -3.53 2.24 0.00 -1.12 -4.50 120.51 115.87 2auy n ALA 24 Ca 0.17 0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.89 2auy n ALA 24 Cb 0.45 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.56 2auy n ALA 24 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2auy s GLN 25 N -1.51 1.01 -0.06 0.00 -2.07 -0.88 -4.75 119.66 111.39 2auy s GLN 25 Ca 0.58 -0.41 -0.20 0.00 -1.82 0.00 0.00 55.36 53.51 2auy s GLN 25 Cb -0.55 0.44 -0.05 0.00 -1.09 0.00 0.00 33.01 31.76 2auy s GLN 25 CO 0.59 -0.45 0.55 0.42 -1.32 0.00 0.00 175.29 175.08 2auy s ILE 26 N -3.31 5.06 -0.12 3.63 -1.09 -1.26 -0.36 121.20 123.74 2auy s ILE 26 Ca 0.05 1.13 -0.06 0.00 -2.23 0.00 0.00 60.65 59.54 2auy s ILE 26 Cb -0.01 -3.89 0.05 0.00 -1.58 0.00 0.00 42.46 37.03 2auy s ILE 26 CO -0.08 0.36 0.29 -0.54 -1.23 0.00 0.00 174.94 173.74 2auy s LYS 27 N 0.28 0.26 -1.39 2.79 1.02 -0.23 -4.93 119.74 117.54 2auy s LYS 27 Ca 0.30 0.60 -0.04 0.00 0.02 0.00 0.00 55.97 56.84 2auy s LYS 27 Cb -0.17 -0.09 0.03 0.00 -0.52 0.00 0.00 37.83 37.08 2auy s LYS 27 CO 0.14 -0.16 0.75 0.09 -0.92 0.00 0.00 175.35 175.25 2auy n ASN 28 N 4.21 -2.13 -1.65 2.83 3.02 -1.26 -1.90 115.26 118.38 2auy n ASN 28 Ca -0.24 -0.83 -0.20 0.00 -0.03 0.00 0.00 54.58 53.27 2auy n ASN 28 Cb 0.54 -3.89 -0.08 0.00 -0.61 0.00 0.00 39.78 35.75 2auy n ASN 28 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2auy n ASN 29 N -2.98 -5.46 -4.13 6.41 3.02 -1.26 -4.97 115.26 105.90 2auy n ASN 29 Ca -0.20 0.42 -0.09 0.00 -0.03 0.00 0.00 54.58 54.69 2auy n ASN 29 Cb 0.63 -4.70 -0.10 0.00 -0.61 0.00 0.00 39.78 35.01 2auy n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2auy s ALA 30 N -2.78 0.72 -0.25 5.41 0.00 -0.80 -1.25 121.76 122.81 2auy s ALA 30 Ca 0.00 -1.30 -0.16 0.00 0.00 0.00 0.00 51.96 50.51 2auy s ALA 30 Cb 0.00 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 2auy s ALA 30 CO 0.00 -0.34 0.41 0.08 0.00 0.00 0.00 175.76 175.91 2auy s VAL 31 N -3.84 5.16 -0.60 0.00 1.01 -0.32 -1.07 120.40 120.74 2auy s VAL 31 Ca 0.11 0.67 -0.18 0.00 0.00 0.00 0.00 61.98 62.58 2auy s VAL 31 Cb 0.07 -3.73 0.12 0.00 0.00 0.00 0.00 36.38 32.84 2auy s VAL 31 CO -0.07 0.16 0.66 -1.10 0.00 0.00 0.00 175.10 174.76 2auy s GLN 32 N 1.94 3.08 0.18 2.72 -1.52 0.52 -1.09 119.66 125.48 2auy s GLN 32 Ca 0.17 -1.53 -0.12 0.00 -1.95 0.00 0.00 55.36 51.94 2auy s GLN 32 Cb -0.15 -4.31 0.09 0.00 -0.22 0.00 0.00 33.01 28.41 2auy s GLN 32 CO 0.09 -1.47 1.74 -0.07 -0.25 0.00 0.00 175.29 175.34 2auy h LEU 33 N 9.51 0.84 -9.66 2.90 3.38 -1.61 -2.35 115.31 118.33 2auy h LEU 33 Ca -0.26 -0.16 -0.64 0.00 0.09 0.00 0.00 57.88 56.92 2auy h LEU 33 Cb 1.09 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 2auy h LEU 33 CO 1.06 0.77 -0.58 0.42 0.09 0.00 0.00 178.44 180.20 2auy s THR 34 N -5.60 4.68 0.45 0.22 -4.23 -1.26 -2.79 115.64 107.11 2auy s THR 34 Ca -0.13 -0.65 -0.25 0.00 -1.18 0.00 0.00 61.69 59.48 2auy s THR 34 Cb 0.13 -3.24 -0.08 0.00 1.34 0.00 0.00 72.50 70.65 2auy s THR 34 CO 0.80 0.17 1.42 1.17 -0.54 0.00 0.00 174.62 177.64 2auy n LYS 35 N 0.57 2.22 -4.20 3.99 4.81 -1.26 -4.77 118.16 119.52 2auy n LYS 35 Ca -0.09 0.79 -0.17 0.00 -0.87 0.00 0.00 58.31 57.98 2auy n LYS 35 Cb 0.52 -2.61 -0.13 0.00 0.02 0.00 0.00 35.03 32.83 2auy n LYS 35 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2auy s THR 36 N -1.19 0.75 0.24 3.15 -4.23 -1.26 -3.17 115.64 109.91 2auy s THR 36 Ca 0.61 -0.84 -0.04 0.00 -1.18 0.00 0.00 61.69 60.24 2auy s THR 36 Cb -0.45 -0.71 0.06 0.00 1.34 0.00 0.00 72.50 72.73 2auy s THR 36 CO 0.57 -0.10 0.24 -0.90 -0.54 0.00 0.00 174.62 173.89 2auy n ASP 37 N 2.00 -0.89 -0.03 3.99 5.68 0.11 -4.78 116.55 122.63 2auy n ASP 37 Ca -0.18 -0.76 0.03 0.00 -0.50 0.00 0.00 54.79 53.38 2auy n ASP 37 Cb 0.55 -0.20 0.38 0.00 -1.14 0.00 0.00 41.12 40.71 2auy n ASP 37 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2auy h SER 38 N -1.08 0.53 0.12 -1.12 4.64 -2.02 -0.48 113.55 114.15 2auy h SER 38 Ca -0.08 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2auy h SER 38 Cb 0.25 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2auy h SER 38 CO 0.06 0.41 0.00 0.59 -0.87 0.00 0.00 176.83 177.02 2auy n ASN 39 N -4.44 0.00 0.00 4.97 3.02 -1.26 -4.87 115.26 112.67 2auy n ASN 39 Ca 0.04 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 2auy n ASN 39 Cb 0.08 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 2auy n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2auy n GLY 40 N 0.96 0.47 3.82 7.41 0.00 -0.19 -5.03 105.19 112.63 2auy n GLY 40 Ca 0.21 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 2auy n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2auy s ASN 41 N -2.43 6.99 0.56 1.61 0.02 -1.26 -4.75 114.94 115.68 2auy s ASN 41 Ca 0.00 1.26 -0.19 0.00 -1.02 0.00 0.00 52.86 52.90 2auy s ASN 41 Cb 0.00 -2.36 -0.05 0.00 0.02 0.00 0.00 41.25 38.86 2auy s ASN 41 CO 0.00 0.15 1.16 -2.16 0.02 0.00 0.00 177.10 176.27 2auy s PRO 42 N -1.64 3.23 0.16 -0.60 0.04 -1.26 -0.71 135.00 134.21 2auy s PRO 42 Ca 0.36 1.70 0.05 0.00 0.04 0.00 0.00 61.00 63.15 2auy s PRO 42 Cb -0.17 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2auy s PRO 42 CO 0.20 -0.96 -0.12 0.14 0.04 0.00 0.00 177.00 176.30 2auy s VAL 43 N -1.70 1.32 0.83 -0.36 -7.23 -1.19 -4.85 120.40 107.22 2auy s VAL 43 Ca 0.74 -2.04 -0.12 0.00 -1.81 0.00 0.00 61.98 58.76 2auy s VAL 43 Cb -0.26 -1.83 0.09 0.00 0.56 0.00 0.00 36.38 34.93 2auy s VAL 43 CO 0.29 -0.66 1.12 0.00 -0.31 0.00 0.00 175.10 175.55 2auy s ALA 44 N -3.05 2.21 -0.91 1.32 0.00 -1.26 -4.53 121.76 115.54 2auy s ALA 44 Ca 0.17 -0.40 -0.07 0.00 0.00 0.00 0.00 51.96 51.65 2auy s ALA 44 Cb 0.01 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 2auy s ALA 44 CO 0.02 -1.85 0.71 0.43 0.00 0.00 0.00 175.76 175.08 2auy n SER 45 N -3.49 -6.14 -3.85 0.00 7.64 -0.18 -4.97 113.62 102.64 2auy n SER 45 Ca 0.07 -0.66 -0.12 0.00 1.01 0.00 0.00 58.87 59.17 2auy n SER 45 Cb 0.58 -3.67 -0.12 0.00 -1.01 0.00 0.00 64.21 59.99 2auy n SER 45 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2auy s THR 46 N -3.16 0.02 0.00 0.44 -1.32 -0.68 -5.00 115.64 105.95 2auy s THR 46 Ca 0.18 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 2auy s THR 46 Cb -0.06 -0.24 -0.00 0.00 -1.51 0.00 0.00 72.50 70.69 2auy s THR 46 CO 0.83 -0.11 -0.01 -0.69 -2.21 0.00 0.00 174.62 172.43 2auy s VAL 47 N -0.34 0.04 -0.08 5.08 1.01 -1.26 -0.82 120.40 124.03 2auy s VAL 47 Ca -0.04 -0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.68 2auy s VAL 47 Cb -0.03 -0.05 0.05 0.00 0.00 0.00 0.00 36.38 36.35 2auy s VAL 47 CO 0.00 -0.00 0.51 -0.83 0.00 0.00 0.00 175.10 174.78 2auy s GLY 48 N -0.04 -0.38 0.07 4.51 0.00 -0.84 -0.90 107.32 109.75 2auy s GLY 48 Ca -0.00 1.02 -0.08 0.00 0.00 0.00 0.00 44.72 45.65 2auy s GLY 48 CO -0.00 0.75 0.17 0.50 0.00 0.00 0.00 173.10 174.53 2auy s ARG 49 N -0.82 0.79 0.03 2.90 0.52 -0.47 -1.72 118.95 120.17 2auy s ARG 49 Ca -0.09 -0.90 0.02 0.00 -0.52 0.00 0.00 55.73 54.24 2auy s ARG 49 Cb -0.03 0.32 -0.02 0.00 0.52 0.00 0.00 34.95 35.74 2auy s ARG 49 CO 0.05 -0.24 -0.06 0.96 0.02 0.00 0.00 175.30 176.03 2auy s ILE 50 N -3.54 0.43 0.02 1.52 -4.36 7.04 -0.78 121.20 121.53 2auy s ILE 50 Ca 0.03 -0.96 0.01 0.00 -0.26 0.00 0.00 60.65 59.46 2auy s ILE 50 Cb 0.04 -0.50 -0.02 0.00 1.25 0.00 0.00 42.46 43.23 2auy s ILE 50 CO -0.09 -0.37 -0.05 -0.76 0.24 0.00 0.00 174.94 173.92 2auy s LEU 51 N -1.42 2.19 0.23 0.37 1.43 -0.66 -1.43 118.68 119.39 2auy s LEU 51 Ca -0.10 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 2auy s LEU 51 Cb -0.09 -0.04 -0.09 0.00 0.03 0.00 0.00 46.19 46.00 2auy s LEU 51 CO 0.00 -0.19 0.99 0.12 0.23 0.00 0.00 176.35 177.50 2auy s PHE 52 N -1.12 3.85 0.14 0.29 5.36 -0.72 -0.63 117.98 125.16 2auy s PHE 52 Ca -0.10 1.84 -0.15 0.00 -0.96 0.00 0.00 56.93 57.56 2auy s PHE 52 Cb -0.08 -3.08 0.01 0.00 -0.34 0.00 0.00 43.02 39.54 2auy s PHE 52 CO -0.00 0.14 1.70 0.66 -1.46 0.00 0.00 175.22 176.25 2auy h SER 53 N 4.30 0.61 -3.36 6.13 4.64 -1.27 -3.43 113.55 121.17 2auy h SER 53 Ca -0.45 -0.16 -0.52 0.00 -0.47 0.00 0.00 61.79 60.18 2auy h SER 53 Cb 1.20 -0.16 0.05 0.00 -0.31 0.00 0.00 62.40 63.18 2auy h SER 53 CO 0.68 0.60 0.72 0.00 -0.87 0.00 0.00 176.83 177.96 2auy s ALA 54 N -5.57 3.59 0.36 5.18 0.00 -1.26 -4.99 121.76 119.06 2auy s ALA 54 Ca -0.13 1.23 -0.25 0.00 0.00 0.00 0.00 51.96 52.81 2auy s ALA 54 Cb 0.11 -3.53 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 2auy s ALA 54 CO 0.76 -0.65 1.00 -0.65 0.00 0.00 0.00 175.76 176.22 2auy s GLN 55 N -0.19 4.39 -0.18 0.00 -0.21 -1.26 -4.83 119.66 117.38 2auy s GLN 55 Ca 0.59 1.43 -0.08 0.00 0.02 0.00 0.00 55.36 57.31 2auy s GLN 55 Cb -0.39 -2.68 -0.05 0.00 1.00 0.00 0.00 33.01 30.89 2auy s GLN 55 CO 0.40 0.08 0.11 0.08 -2.12 0.00 0.00 175.29 173.85 2auy s VAL 56 N -1.63 5.25 -0.82 1.09 1.01 0.10 -4.92 120.40 120.48 2auy s VAL 56 Ca 0.54 0.13 -0.21 0.00 0.00 0.00 0.00 61.98 62.43 2auy s VAL 56 Cb -0.20 -3.36 0.10 0.00 0.00 0.00 0.00 36.38 32.91 2auy s VAL 56 CO 0.26 0.49 1.09 -2.28 0.00 0.00 0.00 175.10 174.66 2auy s HIS 57 N 0.03 2.86 0.13 5.22 2.46 -1.26 -1.12 115.29 123.59 2auy s HIS 57 Ca 0.09 -0.95 -0.12 0.00 0.47 0.00 0.00 55.06 54.54 2auy s HIS 57 Cb -0.12 -4.33 -0.06 0.00 -0.13 0.00 0.00 32.58 27.94 2auy s HIS 57 CO -0.00 -1.61 1.45 1.25 -2.47 0.00 0.00 174.74 173.36 2auy h LEU 58 N 11.09 0.95 -7.17 8.88 5.85 -1.01 -3.43 115.31 130.48 2auy h LEU 58 Ca -0.04 -0.48 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 2auy h LEU 58 Cb 1.04 -0.27 -0.12 0.00 0.37 0.00 0.00 40.66 41.69 2auy h LEU 58 CO 1.17 1.24 0.14 -1.66 -0.34 0.00 0.00 178.44 178.99 2auy s TRP 59 N -4.34 -0.43 -0.19 1.25 1.48 -1.11 0.21 118.94 115.81 2auy s TRP 59 Ca -0.11 0.18 -0.01 0.00 -1.06 0.00 0.00 56.10 55.09 2auy s TRP 59 Cb 0.10 0.50 0.05 0.00 -1.16 0.00 0.00 33.47 32.96 2auy s TRP 59 CO 0.87 -0.84 -0.02 -2.00 -4.06 0.00 0.00 176.95 170.91 2auy s GLU 60 N -3.78 1.13 0.23 3.25 2.12 -0.27 -4.54 118.70 116.84 2auy s GLU 60 Ca 0.02 -0.54 -0.08 0.00 0.36 0.00 0.00 54.97 54.73 2auy s GLU 60 Cb -0.01 -2.11 0.23 0.00 0.26 0.00 0.00 34.13 32.51 2auy s GLU 60 CO -0.11 -0.54 1.89 -0.22 -0.54 0.00 0.00 175.26 175.74 2auy h LYS 61 N 8.14 1.09 0.00 4.30 3.64 -1.97 -1.42 116.57 130.35 2auy h LYS 61 Ca -0.19 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.09 2auy h LYS 61 Cb 1.11 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2auy h LYS 61 CO 0.37 0.72 -0.15 0.66 -2.27 0.00 0.00 179.45 178.78 2auy h SER 62 N 1.13 0.00 -0.05 4.20 4.64 -1.97 -3.17 113.55 118.34 2auy h SER 62 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2auy h SER 62 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2auy h SER 62 CO -0.09 0.15 0.00 -1.54 -0.87 0.00 0.00 176.83 174.48 2auy n SER 63 N -3.73 1.75 -2.40 4.97 3.41 -1.09 -4.99 113.62 111.53 2auy n SER 63 Ca -0.02 -1.58 -0.18 0.00 -0.26 0.00 0.00 58.87 56.83 2auy n SER 63 Cb 0.26 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.17 2auy n SER 63 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2auy n SER 64 N -0.06 -5.35 -4.89 4.04 7.64 -0.55 -4.91 113.62 109.53 2auy n SER 64 Ca 0.02 0.05 -0.30 0.00 1.01 0.00 0.00 58.87 59.65 2auy n SER 64 Cb 0.19 -4.48 -0.04 0.00 -1.01 0.00 0.00 64.21 58.86 2auy n SER 64 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2auy s ARG 65 N -5.03 3.32 -0.01 1.43 0.52 -1.12 -3.74 118.95 114.32 2auy s ARG 65 Ca 0.00 -0.52 0.02 0.00 -0.52 0.00 0.00 55.73 54.70 2auy s ARG 65 Cb 0.00 -2.96 -0.00 0.00 0.52 0.00 0.00 34.95 32.51 2auy s ARG 65 CO 0.00 0.59 -0.05 0.08 0.02 0.00 0.00 175.30 175.94 2auy s VAL 66 N -1.52 0.41 0.40 3.52 1.01 -0.62 -1.11 120.40 122.48 2auy s VAL 66 Ca 0.34 -0.21 -0.24 0.00 0.00 0.00 0.00 61.98 61.86 2auy s VAL 66 Cb -0.12 -0.36 -0.09 0.00 0.00 0.00 0.00 36.38 35.81 2auy s VAL 66 CO 0.27 0.12 1.08 0.00 0.00 0.00 0.00 175.10 176.57 2auy s ALA 67 N -0.05 3.11 -0.24 5.51 0.00 0.13 -2.00 121.76 128.21 2auy s ALA 67 Ca 0.01 0.78 -0.08 0.00 0.00 0.00 0.00 51.96 52.67 2auy s ALA 67 Cb -0.03 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 2auy s ALA 67 CO -0.00 -0.31 0.09 1.21 0.00 0.00 0.00 175.76 176.76 2auy s ASN 68 N -1.43 5.42 0.10 0.00 3.04 -0.10 -4.40 114.94 117.57 2auy s ASN 68 Ca 0.57 -0.11 0.02 0.00 0.04 0.00 0.00 52.86 53.39 2auy s ASN 68 Cb -0.25 -1.97 -0.04 0.00 -1.54 0.00 0.00 41.25 37.45 2auy s ASN 68 CO 0.31 0.01 -0.07 0.72 -3.04 0.00 0.00 177.10 175.03 2auy s PHE 69 N 1.38 0.94 -0.01 0.43 -0.12 -1.13 -1.36 117.98 118.10 2auy s PHE 69 Ca 0.06 -0.88 -0.00 0.00 -0.05 0.00 0.00 56.93 56.05 2auy s PHE 69 Cb -0.15 -0.53 0.01 0.00 -0.63 0.00 0.00 43.02 41.72 2auy s PHE 69 CO 0.05 -0.12 0.01 -0.65 -0.05 0.00 0.00 175.22 174.47 2auy s GLN 70 N -3.74 0.00 -0.11 1.99 -0.21 0.03 -1.56 119.66 116.07 2auy s GLN 70 Ca 0.12 0.05 -0.01 0.00 0.02 0.00 0.00 55.36 55.54 2auy s GLN 70 Cb 0.04 -0.05 0.03 0.00 1.00 0.00 0.00 33.01 34.04 2auy s GLN 70 CO -0.04 -0.04 -0.04 0.45 -2.12 0.00 0.00 175.29 173.51 2auy s SER 71 N 0.23 2.04 -0.11 5.90 0.15 0.69 -1.74 113.70 120.85 2auy s SER 71 Ca -0.02 -0.27 0.01 0.00 0.70 0.00 0.00 55.95 56.37 2auy s SER 71 Cb -0.03 -0.67 -0.02 0.00 -1.71 0.00 0.00 66.02 63.59 2auy s SER 71 CO -0.01 -0.16 -0.14 -1.58 1.20 0.00 0.00 173.24 172.54 2auy s GLN 72 N 1.82 3.13 0.19 5.44 -0.44 -0.19 -0.57 119.66 129.03 2auy s GLN 72 Ca 0.04 -0.71 -0.19 0.00 -2.50 0.00 0.00 55.36 52.00 2auy s GLN 72 Cb -0.13 -2.53 0.04 0.00 -1.64 0.00 0.00 33.01 28.75 2auy s GLN 72 CO -0.07 0.32 0.55 -0.59 0.50 0.00 0.00 175.29 176.00 2auy s PHE 73 N 0.07 -0.26 0.01 1.67 -0.12 -0.28 -0.69 117.98 118.39 2auy s PHE 73 Ca -0.06 -0.05 0.01 0.00 -0.05 0.00 0.00 56.93 56.78 2auy s PHE 73 Cb -0.15 0.46 -0.01 0.00 -0.63 0.00 0.00 43.02 42.69 2auy s PHE 73 CO 0.05 -0.91 -0.05 -1.54 -0.05 0.00 0.00 175.22 172.72 2auy s SER 74 N -2.83 0.59 0.19 1.98 1.04 -1.03 -0.35 113.70 113.30 2auy s SER 74 Ca 0.06 -0.27 -0.11 0.00 0.48 0.00 0.00 55.95 56.11 2auy s SER 74 Cb -0.01 -0.01 -0.00 0.00 0.10 0.00 0.00 66.02 66.09 2auy s SER 74 CO -0.06 -0.06 0.37 0.72 0.98 0.00 0.00 173.24 175.18 2auy s PHE 75 N -0.65 0.33 0.01 5.02 -0.71 -0.96 -0.63 117.98 120.39 2auy s PHE 75 Ca -0.04 -0.69 -0.03 0.00 -1.04 0.00 0.00 56.93 55.14 2auy s PHE 75 Cb -0.05 0.06 -0.01 0.00 -1.21 0.00 0.00 43.02 41.81 2auy s PHE 75 CO -0.00 -0.82 0.04 -1.54 -1.34 0.00 0.00 175.22 171.56 2auy s SER 76 N -2.97 0.15 -0.01 1.98 1.04 -0.66 -0.62 113.70 112.61 2auy s SER 76 Ca 0.18 -0.37 0.07 0.00 0.48 0.00 0.00 55.95 56.31 2auy s SER 76 Cb 0.02 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 2auy s SER 76 CO 0.02 -0.32 -0.22 -0.76 0.98 0.00 0.00 173.24 172.95 2auy s LEU 77 N -1.37 2.05 -0.04 2.42 1.43 -1.26 -1.76 118.68 120.15 2auy s LEU 77 Ca -0.15 -0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 52.51 2auy s LEU 77 Cb -0.09 -1.12 0.02 0.00 0.03 0.00 0.00 46.19 45.03 2auy s LEU 77 CO -0.00 0.26 0.11 -0.75 0.23 0.00 0.00 176.35 176.21 2auy s LYS 78 N -0.58 0.11 -0.27 1.70 2.20 -1.18 -0.17 119.74 121.55 2auy s LYS 78 Ca 0.08 0.19 -0.24 0.00 -0.36 0.00 0.00 55.97 55.65 2auy s LYS 78 Cb -0.08 0.00 0.08 0.00 -1.51 0.00 0.00 37.83 36.32 2auy s LYS 78 CO -0.01 -0.05 0.77 0.45 -0.36 0.00 0.00 175.35 176.16 2auy s SER 79 N 0.31 -0.72 0.27 1.43 0.15 -1.26 -0.79 113.70 113.08 2auy s SER 79 Ca -0.02 1.35 0.25 0.00 0.70 0.00 0.00 55.95 58.24 2auy s SER 79 Cb -0.03 1.36 0.89 0.00 -1.71 0.00 0.00 66.02 66.52 2auy s SER 79 CO -0.01 -0.23 1.75 1.55 1.20 0.00 0.00 173.24 177.50 2auy h PRO 80 N 5.12 0.00 -7.28 5.44 0.13 -1.99 -3.46 132.00 129.97 2auy h PRO 80 Ca -0.29 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.34 2auy h PRO 80 Cb 1.17 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.36 2auy h PRO 80 CO 0.07 0.00 0.39 -0.51 -0.23 0.00 0.00 178.00 177.72 2auy s LEU 81 N -4.72 3.34 0.39 1.56 1.43 -1.26 -4.97 118.68 114.44 2auy s LEU 81 Ca 0.07 1.59 0.21 0.00 -1.03 0.00 0.00 54.13 54.98 2auy s LEU 81 Cb 0.10 -4.50 0.45 0.00 0.03 0.00 0.00 46.19 42.27 2auy s LEU 81 CO 0.52 -1.04 1.63 0.77 0.23 0.00 0.00 176.35 178.45 2auy h SER 82 N -0.02 0.00 -2.13 2.29 4.64 -1.97 -3.36 113.55 112.99 2auy h SER 82 Ca -0.45 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.29 2auy h SER 82 Cb 1.20 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.88 2auy h SER 82 CO 0.59 0.22 -0.81 0.59 -0.87 0.00 0.00 176.83 176.55 2auy n ASN 83 N -3.20 2.47 -4.72 4.97 4.13 -1.26 -5.10 115.26 112.55 2auy n ASN 83 Ca 0.02 -3.20 -0.40 0.00 1.68 0.00 0.00 54.58 52.69 2auy n ASN 83 Cb 0.56 -0.64 0.03 0.00 -1.54 0.00 0.00 39.78 38.19 2auy n ASN 83 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2auy n GLY 84 N 0.83 0.66 3.27 7.41 0.00 -1.26 -4.60 105.19 111.50 2auy n GLY 84 Ca 0.27 0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.29 2auy n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2auy s ALA 85 N -1.26 0.36 -0.02 4.61 0.00 -1.24 -4.34 121.76 119.87 2auy s ALA 85 Ca 0.66 -1.14 0.11 0.00 0.00 0.00 0.00 51.96 51.60 2auy s ALA 85 Cb -0.45 0.90 -0.18 0.00 0.00 0.00 0.00 23.12 23.39 2auy s ALA 85 CO 0.53 -0.59 0.23 -0.25 0.00 0.00 0.00 175.76 175.68 2auy n ASP 86 N -0.18 2.36 0.00 0.00 8.00 0.72 -2.55 116.55 124.90 2auy n ASP 86 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 2auy n ASP 86 Cb 0.63 1.46 0.00 0.00 -0.02 0.00 0.00 41.12 43.19 2auy n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2auy n GLY 87 N 1.89 2.68 3.23 0.44 0.00 -1.23 -2.67 105.19 109.52 2auy n GLY 87 Ca -0.03 -1.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.01 2auy n GLY 87 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2auy s ILE 88 N -1.78 1.42 -0.01 -0.61 2.07 -1.00 -2.98 121.20 118.31 2auy s ILE 88 Ca 0.00 -1.41 -0.02 0.00 -1.41 0.00 0.00 60.65 57.82 2auy s ILE 88 Cb 0.00 -1.32 -0.00 0.00 0.13 0.00 0.00 42.46 41.27 2auy s ILE 88 CO 0.00 -0.12 0.04 0.00 -1.91 0.00 0.00 174.94 172.95 2auy s ALA 89 N -1.19 -0.08 -0.14 1.50 0.00 0.94 -1.13 121.76 121.65 2auy s ALA 89 Ca 0.03 -0.10 -0.13 0.00 0.00 0.00 0.00 51.96 51.76 2auy s ALA 89 Cb -0.10 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 2auy s ALA 89 CO 0.03 -0.08 0.28 0.12 0.00 0.00 0.00 175.76 176.11 2auy s PHE 90 N -0.55 3.50 0.12 0.00 5.36 -0.61 -0.60 117.98 125.20 2auy s PHE 90 Ca -0.06 0.61 -0.03 0.00 -0.96 0.00 0.00 56.93 56.49 2auy s PHE 90 Cb -0.04 -2.28 -0.03 0.00 -0.34 0.00 0.00 43.02 40.32 2auy s PHE 90 CO -0.00 0.33 0.10 -0.59 -1.46 0.00 0.00 175.22 173.60 2auy s PHE 91 N 0.16 0.69 -0.07 10.12 -0.71 0.16 -0.80 117.98 127.53 2auy s PHE 91 Ca 0.16 -1.09 0.01 0.00 -1.04 0.00 0.00 56.93 54.97 2auy s PHE 91 Cb -0.13 -0.37 0.02 0.00 -1.21 0.00 0.00 43.02 41.33 2auy s PHE 91 CO 0.04 -0.54 -0.08 0.42 -1.34 0.00 0.00 175.22 173.73 2auy s ILE 92 N -4.01 0.85 0.32 -4.49 1.01 0.21 -1.77 121.20 113.32 2auy s ILE 92 Ca 0.20 -0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 2auy s ILE 92 Cb 0.07 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.70 2auy s ILE 92 CO -0.01 0.31 0.50 0.00 0.00 0.00 0.00 174.94 175.74 2auy s ALA 93 N 1.12 0.34 0.65 9.38 0.00 -0.90 -2.01 121.76 130.34 2auy s ALA 93 Ca -0.07 -1.26 -0.18 0.00 0.00 0.00 0.00 51.96 50.45 2auy s ALA 93 Cb -0.14 1.09 -0.01 0.00 0.00 0.00 0.00 23.12 24.06 2auy s ALA 93 CO -0.01 -0.82 1.29 -2.14 0.00 0.00 0.00 175.76 174.08 2auy s PRO 94 N -3.29 2.55 0.45 0.00 0.02 -1.26 -1.24 135.00 132.23 2auy s PRO 94 Ca 0.27 2.06 0.21 0.00 0.02 0.00 0.00 61.00 63.57 2auy s PRO 94 Cb -0.01 -1.84 1.19 0.00 0.02 0.00 0.00 34.50 33.86 2auy s PRO 94 CO 0.16 -1.60 1.85 -1.35 -0.33 0.00 0.00 177.00 175.73 2auy h PRO 95 N 0.54 0.29 -0.60 5.54 0.11 -1.86 -1.89 132.00 134.13 2auy h PRO 95 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2auy h PRO 95 Cb 1.34 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2auy h PRO 95 CO 0.53 0.19 0.00 -0.40 -0.21 0.00 0.00 178.00 178.11 2auy n ASP 96 N -4.47 2.59 -4.75 -2.05 3.85 -1.26 -4.89 116.55 105.57 2auy n ASP 96 Ca 0.20 -2.24 -0.41 0.00 -0.71 0.00 0.00 54.79 51.63 2auy n ASP 96 Cb 0.80 -0.43 -0.02 0.00 -1.35 0.00 0.00 41.12 40.12 2auy n ASP 96 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 2auy s THR 97 N -1.69 2.16 0.24 2.12 -1.32 -0.71 -5.02 115.64 111.41 2auy s THR 97 Ca 0.24 0.14 0.02 0.00 -1.21 0.00 0.00 61.69 60.88 2auy s THR 97 Cb 0.16 -3.09 -0.05 0.00 -1.51 0.00 0.00 72.50 68.01 2auy s THR 97 CO 0.11 0.02 0.04 0.42 -2.21 0.00 0.00 174.62 173.00 2auy s THR 98 N -0.07 0.81 -0.12 5.08 -4.23 -1.26 -5.09 115.64 110.76 2auy s THR 98 Ca 0.62 -2.01 -0.29 0.00 -1.18 0.00 0.00 61.69 58.83 2auy s THR 98 Cb -0.47 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 70.88 2auy s THR 98 CO 0.48 -0.21 1.66 -0.63 -0.54 0.00 0.00 174.62 175.38 2auy s ILE 99 N -3.57 3.61 0.52 2.99 1.01 -1.26 -4.96 121.20 119.54 2auy s ILE 99 Ca 0.32 0.72 -0.22 0.00 0.00 0.00 0.00 60.65 61.47 2auy s ILE 99 Cb 0.07 -3.53 -0.06 0.00 0.01 0.00 0.00 42.46 38.95 2auy s ILE 99 CO 0.10 -0.14 1.28 -2.84 0.00 0.00 0.00 174.94 173.34 2auy s PRO 100 N 4.34 3.33 0.20 2.79 0.02 -1.26 -4.93 135.00 139.48 2auy s PRO 100 Ca 0.74 2.04 -0.32 0.00 0.02 0.00 0.00 61.00 63.48 2auy s PRO 100 Cb -0.30 -2.27 -0.11 0.00 0.02 0.00 0.00 34.50 31.83 2auy s PRO 100 CO 0.29 -0.98 1.65 0.45 -0.33 0.00 0.00 177.00 178.08 2auy s SER 101 N -1.15 6.46 -1.30 2.53 0.15 -1.26 -2.29 113.70 116.85 2auy s SER 101 Ca 0.69 2.78 0.00 0.00 0.70 0.00 0.00 55.95 60.12 2auy s SER 101 Cb -0.35 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.35 2auy s SER 101 CO 0.42 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.56 2auy n GLY 102 N 3.70 0.51 0.56 9.45 0.00 -1.26 -4.44 105.19 113.72 2auy n GLY 102 Ca 0.14 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 45.86 2auy n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2auy n SER 103 N -0.44 1.60 -2.61 1.61 3.41 -0.97 -4.39 113.62 111.83 2auy n SER 103 Ca -0.15 -2.04 -0.03 0.00 -0.26 0.00 0.00 58.87 56.39 2auy n SER 103 Cb 0.55 -0.23 0.02 0.00 -0.26 0.00 0.00 64.21 64.29 2auy n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2auy n GLY 104 N 0.85 -2.51 7.00 5.00 0.00 -1.26 0.14 105.19 114.41 2auy n GLY 104 Ca 0.09 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2auy n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2auy n GLY 105 N 1.74 2.96 0.00 -0.02 0.00 -1.26 -2.08 105.19 106.53 2auy n GLY 105 Ca 0.01 -0.22 0.02 0.00 0.00 0.00 0.00 46.02 45.83 2auy n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2auy n GLY 106 N 0.00 -0.60 0.12 -0.02 0.00 -1.26 -1.68 105.19 101.75 2auy n GLY 106 Ca 0.00 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.14 2auy n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2auy n LEU 107 N -1.45 0.49 -1.32 0.99 4.77 -0.88 -4.93 117.00 114.67 2auy n LEU 107 Ca 0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.85 2auy n LEU 107 Cb 0.05 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 2auy n LEU 107 CO 0.04 0.09 -0.14 0.18 -1.33 0.00 0.00 177.39 176.24 2auy n LEU 108 N -0.96 -0.96 -0.11 2.23 4.77 -0.68 -1.55 117.00 119.74 2auy n LEU 108 Ca 0.14 0.35 -0.01 0.00 -0.03 0.00 0.00 56.01 56.46 2auy n LEU 108 Cb 0.28 -2.26 -0.01 0.00 -2.33 0.00 0.00 43.42 39.11 2auy n LEU 108 CO 0.24 -0.82 -0.01 0.61 -1.33 0.00 0.00 177.39 176.08 2auy n GLY 109 N -0.19 0.49 0.05 -0.72 0.00 0.12 -3.83 105.19 101.12 2auy n GLY 109 Ca -0.14 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.58 2auy n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2auy n LEU 110 N -0.16 0.00 -4.22 0.99 4.77 -0.60 -4.46 117.00 113.33 2auy n LEU 110 Ca -0.01 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.80 2auy n LEU 110 Cb 0.12 0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 41.35 2auy n LEU 110 CO 0.02 0.24 -0.44 -0.36 -1.33 0.00 0.00 177.39 175.53 2auy s PHE 111 N -2.37 1.29 0.17 -1.77 0.40 -1.20 -4.84 117.98 109.66 2auy s PHE 111 Ca -0.06 -0.59 -0.16 0.00 -0.60 0.00 0.00 56.93 55.52 2auy s PHE 111 Cb 0.04 -0.68 -0.07 0.00 0.51 0.00 0.00 43.02 42.82 2auy s PHE 111 CO 0.48 0.10 0.61 0.00 0.70 0.00 0.00 175.22 177.11 2auy s ALA 112 N -2.27 3.52 0.26 5.36 0.00 -1.26 -4.08 121.76 123.29 2auy s ALA 112 Ca 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.00 2auy s ALA 112 Cb -0.04 -2.63 0.49 0.00 0.00 0.00 0.00 23.12 20.94 2auy s ALA 112 CO 0.02 0.41 1.79 -1.35 0.00 0.00 0.00 175.76 176.63 2auy h PRO 113 N 3.55 0.71 0.00 0.00 0.11 -1.78 -0.20 132.00 134.39 2auy h PRO 113 Ca -0.48 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 2auy h PRO 113 Cb 1.19 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2auy h PRO 113 CO 0.65 0.47 -0.10 0.78 -0.21 0.00 0.00 178.00 179.60 2auy h GLY 114 N 0.73 0.00 -0.47 -0.55 0.00 -1.94 -3.24 103.07 97.59 2auy h GLY 114 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 2auy h GLY 114 CO -0.31 0.00 -0.24 -1.30 0.00 0.00 0.00 176.54 174.69 2auy n THR 115 N -4.00 0.76 0.21 4.70 -2.24 -0.98 -4.85 114.28 107.89 2auy n THR 115 Ca -0.02 -0.90 0.18 0.00 -2.27 0.00 0.00 64.05 61.04 2auy n THR 115 Cb 0.18 0.28 0.83 0.00 -2.10 0.00 0.00 70.33 69.52 2auy n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2auy h ALA 116 N 0.00 1.73 -0.04 6.98 0.00 -1.07 -1.48 119.26 125.37 2auy h ALA 116 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2auy h ALA 116 Cb 1.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2auy h ALA 116 CO 0.00 -0.40 0.00 1.04 0.00 0.00 0.00 179.25 179.89 2auy n GLN 117 N -3.49 2.56 -3.23 0.00 6.02 -1.26 -0.95 117.38 117.03 2auy n GLN 117 Ca 0.02 -1.87 -0.46 0.00 -0.01 0.00 0.00 57.00 54.69 2auy n GLN 117 Cb 0.42 -1.18 -0.04 0.00 1.02 0.00 0.00 30.24 30.45 2auy n GLN 117 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2auy s ASN 118 N -1.50 6.31 0.00 1.08 3.84 -0.56 -4.91 114.94 119.20 2auy s ASN 118 Ca 0.12 -1.84 0.02 0.00 0.21 0.00 0.00 52.86 51.36 2auy s ASN 118 Cb 0.09 -2.25 0.08 0.00 -0.55 0.00 0.00 41.25 38.62 2auy s ASN 118 CO 0.03 -0.91 1.06 0.35 -2.79 0.00 0.00 177.10 174.84 2auy n THR 119 N 5.14 1.89 0.37 -5.21 -2.24 -1.25 -1.56 114.28 111.42 2auy n THR 119 Ca -0.06 0.48 0.12 0.00 -2.27 0.00 0.00 64.05 62.31 2auy n THR 119 Cb 0.42 -1.45 0.04 0.00 -2.10 0.00 0.00 70.33 67.24 2auy n THR 119 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2auy n SER 120 N -1.51 0.68 -1.04 3.42 2.88 -1.26 -4.10 113.62 112.68 2auy n SER 120 Ca 0.00 0.08 0.12 0.00 -1.33 0.00 0.00 58.87 57.74 2auy n SER 120 Cb 0.02 0.58 0.15 0.00 -0.75 0.00 0.00 64.21 64.21 2auy n SER 120 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2auy n ALA 121 N -1.98 2.44 -2.41 -1.46 0.00 -0.60 -4.98 120.51 111.53 2auy n ALA 121 Ca 0.01 -0.84 -0.21 0.00 0.00 0.00 0.00 53.44 52.41 2auy n ALA 121 Cb 0.49 -0.83 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 2auy n ALA 121 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2auy s ASN 122 N -1.73 2.76 -0.37 0.00 0.01 -1.24 -5.09 114.94 109.28 2auy s ASN 122 Ca 0.33 -0.96 0.01 0.00 -0.71 0.00 0.00 52.86 51.53 2auy s ASN 122 Cb 0.21 -0.17 0.15 0.00 0.41 0.00 0.00 41.25 41.85 2auy s ASN 122 CO 0.30 -0.09 0.25 -1.10 -1.51 0.00 0.00 177.10 174.96 2auy s GLN 123 N -3.28 0.69 -0.24 -0.60 -0.21 -1.26 -4.82 119.66 109.93 2auy s GLN 123 Ca 0.21 -1.59 -0.26 0.00 0.02 0.00 0.00 55.36 53.74 2auy s GLN 123 Cb -0.03 -1.39 0.09 0.00 1.00 0.00 0.00 33.01 32.68 2auy s GLN 123 CO 0.08 -1.26 0.84 0.54 -2.12 0.00 0.00 175.29 173.37 2auy s VAL 124 N 0.74 0.00 -0.09 1.09 0.11 -1.26 -4.28 120.40 116.71 2auy s VAL 124 Ca 0.22 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.30 2auy s VAL 124 Cb -0.16 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.70 2auy s VAL 124 CO -0.05 0.00 -0.20 -0.63 -3.33 0.00 0.00 175.10 170.90 2auy s ILE 125 N 0.03 1.72 0.01 7.04 1.01 -0.85 -1.16 121.20 128.99 2auy s ILE 125 Ca -0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 2auy s ILE 125 Cb -0.04 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 40.92 2auy s ILE 125 CO -0.00 0.48 0.18 0.00 0.00 0.00 0.00 174.94 175.61 2auy s ALA 126 N 0.50 -0.42 -0.27 9.38 0.00 -0.16 -0.62 121.76 130.17 2auy s ALA 126 Ca -0.16 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 2auy s ALA 126 Cb -0.17 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.12 2auy s ALA 126 CO 0.06 -0.25 -0.02 0.08 0.00 0.00 0.00 175.76 175.63 2auy s VAL 127 N -1.64 3.15 0.08 0.00 1.01 0.02 0.06 120.40 123.07 2auy s VAL 127 Ca -0.12 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 60.90 2auy s VAL 127 Cb -0.06 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2auy s VAL 127 CO 0.01 0.13 0.07 -1.83 0.00 0.00 0.00 175.10 173.48 2auy s GLU 128 N 1.36 2.84 -0.40 2.72 -1.05 0.57 -1.57 118.70 123.18 2auy s GLU 128 Ca 0.00 -0.71 0.03 0.00 -0.15 0.00 0.00 54.97 54.14 2auy s GLU 128 Cb -0.17 -2.71 0.11 0.00 -0.44 0.00 0.00 34.13 30.92 2auy s GLU 128 CO -0.02 0.56 0.13 -0.06 0.95 0.00 0.00 175.26 176.82 2auy s PHE 129 N -1.38 3.15 -0.30 4.83 0.40 -0.29 -0.63 117.98 123.76 2auy s PHE 129 Ca 0.29 -2.83 -0.13 0.00 -0.60 0.00 0.00 56.93 53.66 2auy s PHE 129 Cb -0.12 -2.63 -0.03 0.00 0.51 0.00 0.00 43.02 40.74 2auy s PHE 129 CO 0.22 -0.87 0.27 0.34 0.70 0.00 0.00 175.22 175.88 2auy s ASP 130 N 0.61 6.10 0.00 1.36 -1.08 -0.18 -2.39 116.67 121.10 2auy s ASP 130 Ca 0.13 -0.09 0.19 0.00 -0.52 0.00 0.00 52.55 52.26 2auy s ASP 130 Cb -0.21 -2.15 -0.16 0.00 -1.46 0.00 0.00 42.92 38.94 2auy s ASP 130 CO -0.07 -0.17 0.85 0.35 0.52 0.00 0.00 175.17 176.65 2auy n THR 131 N 5.11 0.00 -4.73 1.71 -2.24 -1.09 -1.65 114.28 111.39 2auy n THR 131 Ca -0.12 -0.11 -0.32 0.00 -2.27 0.00 0.00 64.05 61.23 2auy n THR 131 Cb 0.51 1.06 -0.17 0.00 -2.10 0.00 0.00 70.33 69.63 2auy n THR 131 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2auy s PHE 132 N -2.66 2.60 -0.01 4.78 5.36 -1.25 -4.78 117.98 122.02 2auy s PHE 132 Ca 0.09 -1.28 0.18 0.00 -0.96 0.00 0.00 56.93 54.97 2auy s PHE 132 Cb 0.15 -1.77 0.31 0.00 -0.34 0.00 0.00 43.02 41.37 2auy s PHE 132 CO 0.71 -0.58 1.13 2.48 -1.46 0.00 0.00 175.22 177.50 2auy n TYR 133 N 4.00 0.00 -1.64 10.12 4.11 -1.26 -4.95 117.16 127.54 2auy n TYR 133 Ca -0.20 -0.42 -0.55 0.00 -0.00 0.00 0.00 57.90 56.73 2auy n TYR 133 Cb 0.52 -0.13 -0.07 0.00 -0.00 0.00 0.00 39.34 39.66 2auy n TYR 133 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2auy n ALA 134 N 0.25 0.30 0.07 -3.48 0.00 -1.26 -4.76 120.51 111.62 2auy n ALA 134 Ca 0.05 0.27 0.01 0.00 0.00 0.00 0.00 53.44 53.77 2auy n ALA 134 Cb 1.00 -2.34 0.04 0.00 0.00 0.00 0.00 19.45 18.14 2auy n ALA 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2auy n GLN 135 N 6.31 0.01 -0.02 0.00 1.13 -1.26 -0.86 117.38 122.69 2auy n GLN 135 Ca 0.30 0.38 -0.07 0.00 -1.94 0.00 0.00 57.00 55.67 2auy n GLN 135 Cb 0.18 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 28.89 2auy n GLN 135 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2auy n ASP 136 N -1.40 0.81 -0.06 1.08 5.75 -1.26 -4.27 116.55 117.20 2auy n ASP 136 Ca 0.01 0.38 -0.11 0.00 -0.01 0.00 0.00 54.79 55.06 2auy n ASP 136 Cb 0.02 0.07 -0.05 0.00 -1.03 0.00 0.00 41.12 40.13 2auy n ASP 136 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2auy n SER 137 N -2.99 1.68 -3.86 -1.12 3.41 -0.87 -4.71 113.62 105.16 2auy n SER 137 Ca -0.16 0.07 -0.42 0.00 -0.26 0.00 0.00 58.87 58.09 2auy n SER 137 Cb 1.01 -0.28 0.01 0.00 -0.26 0.00 0.00 64.21 64.69 2auy n SER 137 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2auy n ASN 138 N -3.27 6.34 0.32 4.04 5.03 -0.04 -4.79 115.26 122.90 2auy n ASN 138 Ca -0.22 -3.34 0.20 0.00 0.87 0.00 0.00 54.58 52.09 2auy n ASN 138 Cb 0.68 -1.32 1.11 0.00 -1.02 0.00 0.00 39.78 39.23 2auy n ASN 138 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 2auy h THR 139 N 3.26 0.16 0.00 3.41 1.35 -1.74 -2.10 112.91 117.24 2auy h THR 139 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.21 2auy h THR 139 Cb 0.54 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 2auy h THR 139 CO 1.41 0.00 -0.24 -2.67 -0.25 0.00 0.00 175.52 173.77 2auy n TRP 140 N -3.30 0.65 -3.00 4.73 2.14 -1.26 -4.92 117.44 112.49 2auy n TRP 140 Ca -0.03 0.19 -0.31 0.00 2.07 0.00 0.00 57.50 59.42 2auy n TRP 140 Cb 0.10 -0.76 -0.05 0.00 -0.81 0.00 0.00 31.31 29.80 2auy n TRP 140 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 2auy s ASP 141 N -4.18 6.64 0.80 -0.67 1.01 -0.79 -4.76 116.67 114.72 2auy s ASP 141 Ca 0.10 1.20 -0.11 0.00 0.71 0.00 0.00 52.55 54.44 2auy s ASP 141 Cb 0.14 -2.35 0.07 0.00 1.01 0.00 0.00 42.92 41.79 2auy s ASP 141 CO 0.64 -0.30 1.09 -2.16 0.21 0.00 0.00 175.17 174.64 2auy s PRO 142 N -3.41 2.07 -1.42 8.23 0.04 -1.26 -4.90 135.00 134.34 2auy s PRO 142 Ca 0.53 0.86 -0.08 0.00 0.04 0.00 0.00 61.00 62.35 2auy s PRO 142 Cb -0.10 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.59 2auy s PRO 142 CO 0.24 -1.69 2.52 -1.71 0.04 0.00 0.00 177.00 176.41 2auy n ASN 143 N -3.51 7.85 -3.64 6.66 5.15 -1.26 -4.84 115.26 121.67 2auy n ASN 143 Ca 0.08 -2.94 -0.02 0.00 -0.60 0.00 0.00 54.58 51.09 2auy n ASN 143 Cb 0.55 -1.45 -0.02 0.00 -0.53 0.00 0.00 39.78 38.33 2auy n ASN 143 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 2auy s TYR 144 N 0.23 -0.03 0.41 1.20 -0.85 -1.26 -5.10 117.35 111.94 2auy s TYR 144 Ca 0.58 0.03 -0.27 0.00 -0.52 0.00 0.00 57.07 56.89 2auy s TYR 144 Cb 0.17 0.50 -0.09 0.00 0.38 0.00 0.00 41.96 42.92 2auy s TYR 144 CO -0.08 -0.05 1.42 -1.25 -1.52 0.00 0.00 175.55 174.08 2auy s PRO 145 N -1.90 3.92 0.19 -3.49 0.04 -1.26 -4.85 135.00 127.64 2auy s PRO 145 Ca 0.11 2.42 -0.15 0.00 0.04 0.00 0.00 61.00 63.42 2auy s PRO 145 Cb -0.01 -2.81 0.02 0.00 0.04 0.00 0.00 34.50 31.74 2auy s PRO 145 CO -0.04 -0.63 0.46 -3.38 0.04 0.00 0.00 177.00 173.45 2auy s HIS 146 N -1.18 0.03 -0.14 0.56 -3.43 -0.66 -1.52 115.29 108.96 2auy s HIS 146 Ca 0.57 -0.38 -0.05 0.00 -0.80 0.00 0.00 55.06 54.39 2auy s HIS 146 Cb -0.44 0.26 -0.04 0.00 -1.43 0.00 0.00 32.58 30.94 2auy s HIS 146 CO 0.57 -0.86 0.03 0.42 -2.00 0.00 0.00 174.74 172.90 2auy s ILE 147 N -3.90 4.52 0.05 -5.38 1.01 -0.79 -1.01 121.20 115.70 2auy s ILE 147 Ca 0.11 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.64 2auy s ILE 147 Cb 0.00 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 2auy s ILE 147 CO -0.02 0.52 -0.06 -0.83 0.00 0.00 0.00 174.94 174.55 2auy s GLY 148 N -0.12 0.52 -0.24 6.18 0.00 0.19 -1.92 107.32 111.93 2auy s GLY 148 Ca 0.06 -0.90 -0.06 0.00 0.00 0.00 0.00 44.72 43.81 2auy s GLY 148 CO 0.02 -0.97 0.04 -0.42 0.00 0.00 0.00 173.10 171.77 2auy s ILE 149 N -2.08 4.08 -0.21 0.90 1.01 -0.56 -0.32 121.20 124.03 2auy s ILE 149 Ca -0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 60.65 60.30 2auy s ILE 149 Cb -0.05 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.51 2auy s ILE 149 CO -0.02 0.37 -0.02 -1.81 0.00 0.00 0.00 174.94 173.46 2auy s ASP 150 N 1.52 4.64 -0.35 3.58 -0.00 0.11 -1.25 116.67 124.92 2auy s ASP 150 Ca 0.06 -0.27 0.03 0.00 -0.00 0.00 0.00 52.55 52.37 2auy s ASP 150 Cb -0.15 -1.79 0.10 0.00 -0.00 0.00 0.00 42.92 41.08 2auy s ASP 150 CO 0.02 0.04 0.08 -0.69 -0.00 0.00 0.00 175.17 174.61 2auy s VAL 151 N 1.14 2.01 -0.56 -1.27 1.01 -1.26 -0.99 120.40 120.49 2auy s VAL 151 Ca 0.02 -2.24 0.00 0.00 0.00 0.00 0.00 61.98 59.77 2auy s VAL 151 Cb -0.14 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.75 2auy s VAL 151 CO 0.01 -0.63 0.00 0.59 0.00 0.00 0.00 175.10 175.06 2auy n ASN 152 N 4.27 -5.45 -3.64 3.32 3.02 -0.31 -4.93 115.26 111.54 2auy n ASN 152 Ca 0.03 0.13 -0.15 0.00 -0.03 0.00 0.00 54.58 54.56 2auy n ASN 152 Cb 0.41 -3.42 -0.08 0.00 -0.61 0.00 0.00 39.78 36.09 2auy n ASN 152 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2auy s SER 153 N -2.24 -0.50 0.37 6.41 0.15 -1.26 -3.76 113.70 112.87 2auy s SER 153 Ca 0.00 0.65 0.27 0.00 0.70 0.00 0.00 55.95 57.57 2auy s SER 153 Cb 0.00 0.65 0.96 0.00 -1.71 0.00 0.00 66.02 65.92 2auy s SER 153 CO 0.00 -0.44 1.79 -0.29 1.20 0.00 0.00 173.24 175.50 2auy h ILE 154 N 3.64 0.00 -2.88 6.45 6.09 -1.41 -3.38 117.51 126.01 2auy h ILE 154 Ca -0.28 -0.49 -0.61 0.00 -1.37 0.00 0.00 64.86 62.11 2auy h ILE 154 Cb 1.16 1.40 -0.13 0.00 0.47 0.00 0.00 36.82 39.72 2auy h ILE 154 CO 0.32 0.00 0.61 -0.60 -3.07 0.00 0.00 178.15 175.41 2auy s ARG 155 N -3.36 3.22 0.32 2.19 3.52 -1.26 -4.93 118.95 118.66 2auy s ARG 155 Ca 0.05 -0.50 -0.28 0.00 -0.13 0.00 0.00 55.73 54.87 2auy s ARG 155 Cb 0.09 -4.14 -0.13 0.00 -1.56 0.00 0.00 34.95 29.21 2auy s ARG 155 CO 0.52 -1.70 1.19 0.43 -0.81 0.00 0.00 175.30 174.94 2auy n SER 156 N 7.77 2.27 0.17 -2.12 7.64 -1.26 -4.81 113.62 123.28 2auy n SER 156 Ca -0.01 1.20 0.13 0.00 1.01 0.00 0.00 58.87 61.21 2auy n SER 156 Cb 0.47 -1.42 0.50 0.00 -1.01 0.00 0.00 64.21 62.75 2auy n SER 156 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2auy h VAL 157 N 2.35 0.00 -1.71 0.44 -1.51 -1.51 -3.44 116.25 110.87 2auy h VAL 157 Ca -0.44 -0.40 0.03 0.00 -1.23 0.00 0.00 66.70 64.66 2auy h VAL 157 Cb 1.30 1.27 -0.24 0.00 -2.13 0.00 0.00 31.29 31.49 2auy h VAL 157 CO 0.62 0.00 0.38 -0.75 -1.23 0.00 0.00 177.57 176.59 2auy s LYS 158 N -3.36 0.63 0.05 5.19 2.20 -1.24 -5.02 119.74 118.19 2auy s LYS 158 Ca 0.05 0.57 -0.02 0.00 -0.36 0.00 0.00 55.97 56.21 2auy s LYS 158 Cb 0.09 0.31 -0.03 0.00 -1.51 0.00 0.00 37.83 36.69 2auy s LYS 158 CO 0.49 -0.11 -0.01 0.95 -0.36 0.00 0.00 175.35 176.31 2auy s THR 159 N -0.10 0.19 0.02 3.43 -4.23 -1.26 -1.49 115.64 112.20 2auy s THR 159 Ca 0.00 -1.59 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 2auy s THR 159 Cb -0.04 -1.29 -0.02 0.00 1.34 0.00 0.00 72.50 72.50 2auy s THR 159 CO -0.02 -0.88 -0.05 0.68 -0.54 0.00 0.00 174.62 173.81 2auy s VAL 160 N -3.48 0.29 0.28 2.29 -7.23 -0.81 -4.98 120.40 106.76 2auy s VAL 160 Ca 0.03 -0.81 -0.30 0.00 -1.81 0.00 0.00 61.98 59.09 2auy s VAL 160 Cb 0.05 -0.37 -0.10 0.00 0.56 0.00 0.00 36.38 36.51 2auy s VAL 160 CO -0.08 -0.34 1.39 -0.75 -0.31 0.00 0.00 175.10 175.00 2auy s LYS 161 N -1.22 4.30 0.06 4.82 2.20 -1.26 -1.88 119.74 126.75 2auy s LYS 161 Ca -0.10 2.27 0.04 0.00 -0.36 0.00 0.00 55.97 57.81 2auy s LYS 161 Cb -0.08 -3.10 -0.03 0.00 -1.51 0.00 0.00 37.83 33.11 2auy s LYS 161 CO -0.00 -0.34 -0.11 -0.46 -0.36 0.00 0.00 175.35 174.07 2auy s TRP 162 N -0.40 0.99 -0.22 4.03 -0.00 -0.57 -4.81 118.94 117.96 2auy s TRP 162 Ca 0.56 -0.50 -0.07 0.00 -0.00 0.00 0.00 56.10 56.09 2auy s TRP 162 Cb -0.41 -0.57 -0.03 0.00 -0.00 0.00 0.00 33.47 32.47 2auy s TRP 162 CO 0.47 -0.00 0.05 0.34 -0.00 0.00 0.00 176.95 177.80 2auy s ASP 163 N -1.76 5.14 -0.07 5.86 3.68 -1.26 -4.39 116.67 123.87 2auy s ASP 163 Ca -0.04 -0.15 -0.25 0.00 2.13 0.00 0.00 52.55 54.24 2auy s ASP 163 Cb -0.09 -1.90 -0.03 0.00 -1.45 0.00 0.00 42.92 39.44 2auy s ASP 163 CO 0.01 0.04 0.77 -0.60 0.13 0.00 0.00 175.17 175.52 2auy s ARG 164 N 1.17 4.44 -0.22 4.34 3.52 -1.26 -5.04 118.95 125.90 2auy s ARG 164 Ca 0.04 0.99 0.01 0.00 -0.13 0.00 0.00 55.73 56.64 2auy s ARG 164 Cb -0.14 -3.47 0.05 0.00 -1.56 0.00 0.00 34.95 29.83 2auy s ARG 164 CO 0.03 -0.01 -0.07 1.03 -0.81 0.00 0.00 175.30 175.47 2auy s ARG 165 N 1.02 1.73 0.16 5.12 0.52 -1.26 -5.10 118.95 121.14 2auy s ARG 165 Ca 0.40 -0.92 -0.32 0.00 -0.52 0.00 0.00 55.73 54.37 2auy s ARG 165 Cb -0.18 -2.50 -0.12 0.00 0.52 0.00 0.00 34.95 32.67 2auy s ARG 165 CO 0.19 -0.54 1.75 -3.47 0.02 0.00 0.00 175.30 173.25 2auy n ASP 166 N 4.69 3.85 0.00 0.23 2.03 -1.26 -2.42 116.55 123.66 2auy n ASP 166 Ca -0.13 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.22 2auy n ASP 166 Cb 0.45 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.32 2auy n ASP 166 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2auy n GLY 167 N 3.99 0.57 3.78 0.27 0.00 0.76 -5.00 105.19 109.55 2auy n GLY 167 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2auy n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2auy s GLN 168 N -0.44 3.72 0.16 1.61 -0.21 -1.02 -4.92 119.66 118.57 2auy s GLN 168 Ca 0.00 -0.22 -0.30 0.00 0.02 0.00 0.00 55.36 54.86 2auy s GLN 168 Cb 0.00 -3.23 -0.07 0.00 1.00 0.00 0.00 33.01 30.71 2auy s GLN 168 CO 0.00 0.54 1.11 -1.12 -2.12 0.00 0.00 175.29 173.70 2auy s SER 169 N -0.35 7.25 -0.18 5.90 0.01 -1.26 -4.46 113.70 120.61 2auy s SER 169 Ca 0.11 2.08 -0.04 0.00 1.31 0.00 0.00 55.95 59.41 2auy s SER 169 Cb -0.12 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 2auy s SER 169 CO 0.01 -0.24 -0.03 -0.22 0.41 0.00 0.00 173.24 173.17 2auy s LEU 170 N -0.23 3.17 -0.17 2.44 2.96 0.21 -4.32 118.68 122.74 2auy s LEU 170 Ca 0.50 -0.20 -0.11 0.00 -0.22 0.00 0.00 54.13 54.10 2auy s LEU 170 Cb -0.29 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 2auy s LEU 170 CO 0.34 0.11 0.19 0.20 -1.32 0.00 0.00 176.35 175.88 2auy s ASN 171 N 0.70 6.32 -0.01 3.68 0.01 -0.32 -2.27 114.94 123.05 2auy s ASN 171 Ca -0.02 0.37 0.04 0.00 -0.71 0.00 0.00 52.86 52.54 2auy s ASN 171 Cb -0.14 -2.12 -0.01 0.00 0.41 0.00 0.00 41.25 39.38 2auy s ASN 171 CO 0.02 0.19 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.98 2auy s VAL 172 N 0.16 1.07 -0.15 1.60 1.01 0.53 -0.53 120.40 124.09 2auy s VAL 172 Ca 0.12 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.52 2auy s VAL 172 Cb -0.12 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.39 2auy s VAL 172 CO 0.01 0.30 -0.12 -0.22 0.00 0.00 0.00 175.10 175.07 2auy s LEU 173 N -0.32 1.68 -0.16 3.92 2.96 0.11 -1.13 118.68 125.73 2auy s LEU 173 Ca 0.05 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 53.43 2auy s LEU 173 Cb -0.05 -1.12 -0.01 0.00 0.50 0.00 0.00 46.19 45.51 2auy s LEU 173 CO -0.01 -0.09 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.15 2auy s VAL 174 N 1.52 3.20 0.05 1.68 1.01 0.27 -1.66 120.40 126.47 2auy s VAL 174 Ca 0.04 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2auy s VAL 174 Cb -0.13 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 2auy s VAL 174 CO -0.10 0.49 -0.10 0.42 0.00 0.00 0.00 175.10 175.81 2auy s THR 175 N 0.75 0.77 -0.08 3.92 -4.23 -0.34 -0.23 115.64 116.20 2auy s THR 175 Ca -0.04 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 2auy s THR 175 Cb -0.15 -0.78 0.02 0.00 1.34 0.00 0.00 72.50 72.93 2auy s THR 175 CO 0.02 -0.26 -0.09 0.12 -0.54 0.00 0.00 174.62 173.87 2auy s PHE 176 N -1.20 1.33 -0.31 3.99 5.36 -0.60 -0.33 117.98 126.21 2auy s PHE 176 Ca -0.05 -0.55 -0.06 0.00 -0.96 0.00 0.00 56.93 55.31 2auy s PHE 176 Cb -0.09 -1.06 0.03 0.00 -0.34 0.00 0.00 43.02 41.56 2auy s PHE 176 CO 0.01 -0.36 0.07 1.21 -1.46 0.00 0.00 175.22 174.69 2auy s ASN 177 N 1.17 5.12 0.59 6.13 3.84 -0.87 -2.85 114.94 128.08 2auy s ASN 177 Ca -0.06 -0.99 0.36 0.00 0.21 0.00 0.00 52.86 52.38 2auy s ASN 177 Cb -0.14 -1.84 1.82 0.00 -0.55 0.00 0.00 41.25 40.54 2auy s ASN 177 CO -0.02 -0.26 2.17 1.55 -2.79 0.00 0.00 177.10 177.76 2auy h PRO 178 N 8.18 0.00 -0.19 0.43 0.13 -1.88 0.70 132.00 139.37 2auy h PRO 178 Ca -0.26 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.74 2auy h PRO 178 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2auy h PRO 178 CO 0.59 0.04 -0.35 0.77 -0.23 0.00 0.00 178.00 178.82 2auy h SER 179 N 0.00 0.64 0.00 1.44 0.02 -1.94 -3.29 113.55 110.43 2auy h SER 179 Ca -0.00 -0.54 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 2auy h SER 179 Cb 0.24 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2auy h SER 179 CO 0.00 1.06 -1.17 0.35 -1.14 0.00 0.00 176.83 175.93 2auy n THR 180 N -4.30 0.00 -1.92 -2.27 -2.24 -1.13 -4.96 114.28 97.46 2auy n THR 180 Ca -0.06 -0.09 -0.19 0.00 -2.27 0.00 0.00 64.05 61.43 2auy n THR 180 Cb 0.51 0.82 -0.05 0.00 -2.10 0.00 0.00 70.33 69.51 2auy n THR 180 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2auy n ARG 181 N -1.63 -1.44 -3.27 -0.78 1.74 0.24 -4.86 116.66 106.65 2auy n ARG 181 Ca 0.03 1.08 -0.38 0.00 -0.77 0.00 0.00 57.85 57.80 2auy n ARG 181 Cb 0.37 -5.52 -0.06 0.00 -1.02 0.00 0.00 32.46 26.23 2auy n ARG 181 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2auy s ASN 182 N -2.50 6.67 -0.35 0.55 -0.87 -1.13 -0.65 114.94 116.66 2auy s ASN 182 Ca 0.00 0.80 -0.11 0.00 -1.57 0.00 0.00 52.86 51.98 2auy s ASN 182 Cb 0.00 -2.30 0.01 0.00 -0.02 0.00 0.00 41.25 38.94 2auy s ASN 182 CO 0.00 -0.07 0.21 -0.22 -2.57 0.00 0.00 177.10 174.45 2auy s LEU 183 N 0.98 4.55 -0.08 0.60 2.96 0.42 -2.04 118.68 126.07 2auy s LEU 183 Ca 0.26 -0.74 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 2auy s LEU 183 Cb -0.15 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 2auy s LEU 183 CO 0.11 -0.31 -0.03 -1.81 -1.32 0.00 0.00 176.35 172.99 2auy s ASP 184 N 1.62 5.00 -0.08 3.68 1.01 0.55 -1.56 116.67 126.88 2auy s ASP 184 Ca 0.04 0.07 0.03 0.00 0.71 0.00 0.00 52.55 53.40 2auy s ASP 184 Cb -0.18 -1.36 0.01 0.00 1.01 0.00 0.00 42.92 42.39 2auy s ASP 184 CO 0.08 0.37 -0.17 -0.69 0.21 0.00 0.00 175.17 174.96 2auy s VAL 185 N -0.81 1.52 -0.07 -1.27 1.01 0.00 -1.19 120.40 119.59 2auy s VAL 185 Ca 0.12 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 2auy s VAL 185 Cb -0.11 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.94 2auy s VAL 185 CO 0.02 0.44 -0.03 -0.69 0.00 0.00 0.00 175.10 174.84 2auy s VAL 186 N 0.55 0.54 0.01 2.92 1.01 -0.67 -1.76 120.40 123.02 2auy s VAL 186 Ca -0.16 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 61.83 2auy s VAL 186 Cb -0.17 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 2auy s VAL 186 CO 0.06 0.26 -0.14 0.00 0.00 0.00 0.00 175.10 175.28 2auy s ALA 187 N 1.52 1.17 0.01 5.51 0.00 -0.14 -0.72 121.76 129.11 2auy s ALA 187 Ca -0.01 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 2auy s ALA 187 Cb -0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 2auy s ALA 187 CO -0.04 0.26 0.04 0.95 0.00 0.00 0.00 175.76 176.97 2auy s THR 188 N -0.57 0.09 0.35 0.00 -4.23 0.31 -0.65 115.64 110.93 2auy s THR 188 Ca 0.04 -0.76 0.05 0.00 -1.18 0.00 0.00 61.69 59.84 2auy s THR 188 Cb -0.07 -0.31 -0.01 0.00 1.34 0.00 0.00 72.50 73.45 2auy s THR 188 CO 0.00 -0.42 0.50 -0.31 -0.54 0.00 0.00 174.62 173.85 2auy s TYR 189 N -1.31 3.18 -0.47 3.99 1.51 -0.58 -1.17 117.35 122.49 2auy s TYR 189 Ca -0.14 -0.11 0.16 0.00 -1.01 0.00 0.00 57.07 55.98 2auy s TYR 189 Cb -0.08 -2.00 0.84 0.00 -0.11 0.00 0.00 41.96 40.60 2auy s TYR 189 CO 0.00 -0.02 1.50 -1.13 -1.11 0.00 0.00 175.55 174.79 2auy n SER 190 N -1.70 0.41 -0.78 2.29 3.41 -1.26 -1.44 113.62 114.55 2auy n SER 190 Ca -0.01 0.67 0.11 0.00 -0.26 0.00 0.00 58.87 59.38 2auy n SER 190 Cb 0.58 -0.73 0.30 0.00 -0.26 0.00 0.00 64.21 64.10 2auy n SER 190 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2auy n ASP 191 N -2.03 2.33 0.00 4.04 5.75 -1.26 -4.92 116.55 120.45 2auy n ASP 191 Ca -0.00 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 2auy n ASP 191 Cb 0.06 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 2auy n ASP 191 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2auy n GLY 192 N 1.26 0.62 3.72 6.12 0.00 -0.52 -5.04 105.19 111.35 2auy n GLY 192 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2auy n GLY 192 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2auy s THR 193 N -2.32 2.56 0.04 2.61 2.01 -1.25 -4.82 115.64 114.47 2auy s THR 193 Ca 0.00 0.40 0.07 0.00 0.31 0.00 0.00 61.69 62.47 2auy s THR 193 Cb 0.00 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 2auy s THR 193 CO 0.00 0.03 -0.21 -0.60 -0.69 0.00 0.00 174.62 173.15 2auy s ARG 194 N 1.19 1.42 -0.02 4.92 3.52 -1.26 -1.53 118.95 127.18 2auy s ARG 194 Ca 0.71 -0.95 0.03 0.00 -0.13 0.00 0.00 55.73 55.39 2auy s ARG 194 Cb -0.44 -1.53 -0.00 0.00 -1.56 0.00 0.00 34.95 31.41 2auy s ARG 194 CO 0.31 0.39 -0.12 0.71 -0.81 0.00 0.00 175.30 175.79 2auy s TYR 195 N -0.80 1.15 0.00 5.12 1.51 0.17 -4.99 117.35 119.51 2auy s TYR 195 Ca 0.08 -0.27 0.01 0.00 -1.01 0.00 0.00 57.07 55.87 2auy s TYR 195 Cb -0.09 -0.78 -0.00 0.00 -0.11 0.00 0.00 41.96 40.98 2auy s TYR 195 CO 0.02 -0.08 -0.03 -1.21 -1.11 0.00 0.00 175.55 173.13 2auy s GLU 196 N -0.01 0.23 -0.17 -0.62 2.02 -1.26 -0.97 118.70 117.93 2auy s GLU 196 Ca -0.00 -0.15 -0.15 0.00 0.02 0.00 0.00 54.97 54.69 2auy s GLU 196 Cb -0.08 -0.20 0.04 0.00 0.10 0.00 0.00 34.13 34.00 2auy s GLU 196 CO 0.00 0.05 0.45 0.54 0.02 0.00 0.00 175.26 176.33 2auy s VAL 197 N -0.18 -0.00 0.05 2.63 0.11 -0.72 -4.98 120.40 117.30 2auy s VAL 197 Ca -0.00 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 2auy s VAL 197 Cb -0.02 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.18 2auy s VAL 197 CO -0.00 0.00 -0.07 -0.55 -3.33 0.00 0.00 175.10 171.15 2auy s SER 198 N 0.30 0.85 -0.14 3.54 0.15 -1.26 -0.82 113.70 116.33 2auy s SER 198 Ca -0.01 -0.59 -0.11 0.00 0.70 0.00 0.00 55.95 55.94 2auy s SER 198 Cb -0.03 0.05 0.04 0.00 -1.71 0.00 0.00 66.02 64.36 2auy s SER 198 CO -0.00 -0.23 0.36 -0.47 1.20 0.00 0.00 173.24 174.09 2auy s TYR 199 N -1.60 -0.42 -0.20 3.44 6.14 -0.60 -4.98 117.35 119.14 2auy s TYR 199 Ca -0.08 0.99 -0.19 0.00 0.64 0.00 0.00 57.07 58.43 2auy s TYR 199 Cb -0.09 0.15 -0.03 0.00 0.42 0.00 0.00 41.96 42.41 2auy s TYR 199 CO -0.00 -0.21 0.55 -2.00 0.64 0.00 0.00 175.55 174.53 2auy s GLU 200 N 0.45 4.20 -0.13 4.97 2.12 -1.26 -0.43 118.70 128.61 2auy s GLU 200 Ca -0.02 0.48 -0.11 0.00 0.36 0.00 0.00 54.97 55.68 2auy s GLU 200 Cb -0.04 -3.56 0.04 0.00 0.26 0.00 0.00 34.13 30.82 2auy s GLU 200 CO -0.02 -0.17 0.33 0.54 -0.54 0.00 0.00 175.26 175.40 2auy s VAL 201 N 1.69 -0.01 -0.55 3.70 0.11 0.18 -4.99 120.40 120.53 2auy s VAL 201 Ca 0.26 0.02 -0.20 0.00 -2.93 0.00 0.00 61.98 59.13 2auy s VAL 201 Cb -0.16 -0.47 0.07 0.00 -1.53 0.00 0.00 36.38 34.29 2auy s VAL 201 CO 0.10 0.01 0.74 -0.62 -3.33 0.00 0.00 175.10 171.99 2auy s ASP 202 N 0.40 6.23 0.56 3.54 -1.08 -1.26 -4.72 116.67 120.34 2auy s ASP 202 Ca -0.02 -0.93 0.26 0.00 -0.52 0.00 0.00 52.55 51.34 2auy s ASP 202 Cb -0.04 -2.33 1.63 0.00 -1.46 0.00 0.00 42.92 40.72 2auy s ASP 202 CO -0.02 -1.06 2.20 -0.37 0.52 0.00 0.00 175.17 176.44 2auy h VAL 203 N 5.91 0.64 0.00 1.11 -1.51 -1.97 -2.55 116.25 117.89 2auy h VAL 203 Ca -0.28 -0.13 -0.02 0.00 -1.23 0.00 0.00 66.70 65.05 2auy h VAL 203 Cb 1.09 1.08 -0.00 0.00 -2.13 0.00 0.00 31.29 31.32 2auy h VAL 203 CO 1.04 0.03 -0.07 0.03 -1.23 0.00 0.00 177.57 177.37 2auy h ARG 204 N 0.00 0.00 -0.03 5.19 3.08 -1.91 -0.16 114.38 120.55 2auy h ARG 204 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2auy h ARG 204 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2auy h ARG 204 CO 0.00 0.07 0.00 -1.13 -1.07 0.00 0.00 179.97 177.85 2auy n SER 205 N -4.35 1.60 -0.02 7.04 3.41 -0.96 -4.31 113.62 116.04 2auy n SER 205 Ca -0.03 -1.55 -0.03 0.00 -0.26 0.00 0.00 58.87 57.01 2auy n SER 205 Cb 0.15 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 2auy n SER 205 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2auy n VAL 206 N 0.26 0.27 -4.39 -3.33 0.31 -0.66 -5.09 118.33 105.70 2auy n VAL 206 Ca 0.19 -0.11 -0.24 0.00 -0.01 0.00 0.00 64.34 64.17 2auy n VAL 206 Cb 0.37 -0.68 -0.11 0.00 -0.91 0.00 0.00 33.84 32.51 2auy n VAL 206 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2auy s LEU 207 N -5.23 2.47 1.02 7.52 1.43 -0.16 -4.57 118.68 121.15 2auy s LEU 207 Ca -0.06 -0.90 -0.13 0.00 -1.03 0.00 0.00 54.13 52.00 2auy s LEU 207 Cb 0.02 -1.00 0.20 0.00 0.03 0.00 0.00 46.19 45.43 2auy s LEU 207 CO 0.11 0.03 1.10 -2.16 0.23 0.00 0.00 176.35 175.66 2auy s PRO 208 N -2.93 0.26 0.25 1.29 0.04 -1.26 -4.62 135.00 128.03 2auy s PRO 208 Ca 0.21 0.42 -0.06 0.00 0.04 0.00 0.00 61.00 61.61 2auy s PRO 208 Cb -0.06 -1.73 0.27 0.00 0.04 0.00 0.00 34.50 33.03 2auy s PRO 208 CO 0.09 -2.82 1.92 0.93 0.04 0.00 0.00 177.00 177.16 2auy h GLU 209 N -1.95 1.27 -5.61 4.56 5.08 -1.95 -3.41 114.58 112.56 2auy h GLU 209 Ca -0.54 -0.08 -0.66 0.00 -1.00 0.00 0.00 59.36 57.08 2auy h GLU 209 Cb 1.33 -0.29 -0.23 0.00 0.50 0.00 0.00 28.75 30.06 2auy h GLU 209 CO 0.56 0.84 -0.72 -1.58 -1.00 0.00 0.00 179.01 177.12 2auy s TRP 210 N -6.11 2.90 0.29 4.33 0.52 -1.26 -0.38 118.94 119.23 2auy s TRP 210 Ca -0.13 -0.32 0.03 0.00 0.02 0.00 0.00 56.10 55.70 2auy s TRP 210 Cb 0.18 -1.83 -0.04 0.00 -1.15 0.00 0.00 33.47 30.64 2auy s TRP 210 CO 0.82 0.02 0.19 0.14 0.02 0.00 0.00 176.95 178.13 2auy s VAL 211 N -0.04 0.15 0.13 4.03 -7.23 -0.28 -4.28 120.40 112.88 2auy s VAL 211 Ca -0.01 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.26 2auy s VAL 211 Cb -0.14 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 2auy s VAL 211 CO 0.03 0.00 -0.23 -0.13 -0.31 0.00 0.00 175.10 174.46 2auy s ARG 212 N -3.79 1.29 0.11 4.82 0.52 -0.37 0.02 118.95 121.55 2auy s ARG 212 Ca 0.38 -1.30 0.09 0.00 -0.52 0.00 0.00 55.73 54.38 2auy s ARG 212 Cb 0.05 -1.64 -0.04 0.00 0.52 0.00 0.00 34.95 33.84 2auy s ARG 212 CO 0.19 0.38 -0.24 0.14 0.02 0.00 0.00 175.30 175.79 2auy s VAL 213 N -1.25 1.96 0.00 3.52 -7.23 -1.26 -2.11 120.40 114.02 2auy s VAL 213 Ca 0.12 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 2auy s VAL 213 Cb -0.09 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.09 2auy s VAL 213 CO 0.06 0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.49 2auy n GLY 214 N 1.07 0.80 3.23 2.32 0.00 -0.73 -1.75 105.19 110.13 2auy n GLY 214 Ca -0.19 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 2auy n GLY 214 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2auy s PHE 215 N -2.09 1.35 0.00 1.61 0.40 -0.52 -0.67 117.98 118.07 2auy s PHE 215 Ca 0.00 -0.57 -0.04 0.00 -0.60 0.00 0.00 56.93 55.72 2auy s PHE 215 Cb 0.00 -0.71 -0.01 0.00 0.51 0.00 0.00 43.02 42.82 2auy s PHE 215 CO 0.00 0.12 0.06 0.45 0.70 0.00 0.00 175.22 176.55 2auy s SER 216 N -2.46 0.09 0.12 1.36 0.15 0.23 -1.53 113.70 111.67 2auy s SER 216 Ca 0.08 -0.27 -0.17 0.00 0.70 0.00 0.00 55.95 56.29 2auy s SER 216 Cb -0.05 0.16 0.04 0.00 -1.71 0.00 0.00 66.02 64.46 2auy s SER 216 CO 0.03 -0.29 0.43 0.00 1.20 0.00 0.00 173.24 174.61 2auy s ALA 217 N -1.19 -1.04 0.16 5.45 0.00 -0.70 -0.04 121.76 124.40 2auy s ALA 217 Ca -0.13 0.08 -0.23 0.00 0.00 0.00 0.00 51.96 51.69 2auy s ALA 217 Cb -0.07 0.68 0.07 0.00 0.00 0.00 0.00 23.12 23.79 2auy s ALA 217 CO 0.00 -0.64 0.60 0.00 0.00 0.00 0.00 175.76 175.72 2auy s ALA 218 N -3.63 -1.55 -0.01 0.00 0.00 -1.16 -1.98 121.76 113.44 2auy s ALA 218 Ca 0.02 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.40 2auy s ALA 218 Cb 0.01 0.88 0.01 0.00 0.00 0.00 0.00 23.12 24.03 2auy s ALA 218 CO -0.11 -0.78 0.01 -1.12 0.00 0.00 0.00 175.76 173.76 2auy s SER 219 N -2.76 0.10 0.00 0.00 0.01 -0.00 -0.20 113.70 110.85 2auy s SER 219 Ca 0.02 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.29 2auy s SER 219 Cb -0.01 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2auy s SER 219 CO -0.12 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.08 2auy n GLY 220 N 3.63 0.53 0.18 3.44 0.00 -1.26 -1.69 105.19 110.03 2auy n GLY 220 Ca -0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 2auy n GLY 220 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2auy h GLU 221 N 0.00 0.34 -6.12 1.61 4.39 -1.97 -0.44 114.58 112.38 2auy h GLU 221 Ca 0.00 -0.24 -0.55 0.00 0.34 0.00 0.00 59.36 58.91 2auy h GLU 221 Cb 0.00 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 2auy h GLU 221 CO 0.00 0.85 -0.51 -0.65 -1.16 0.00 0.00 179.01 177.54 2auy s GLN 222 N -3.78 3.20 0.17 2.33 -1.52 -1.26 -4.85 119.66 113.94 2auy s GLN 222 Ca -0.05 -0.74 -0.07 0.00 -1.95 0.00 0.00 55.36 52.55 2auy s GLN 222 Cb 0.11 -2.81 -0.02 0.00 -0.22 0.00 0.00 33.01 30.07 2auy s GLN 222 CO 0.82 0.50 0.25 1.52 -0.25 0.00 0.00 175.29 178.12 2auy s TYR 223 N -1.77 0.57 -0.10 0.91 1.13 -1.25 -4.26 117.35 112.58 2auy s TYR 223 Ca 0.33 -0.91 -0.31 0.00 -1.41 0.00 0.00 57.07 54.76 2auy s TYR 223 Cb -0.10 -0.16 0.12 0.00 -1.10 0.00 0.00 41.96 40.72 2auy s TYR 223 CO 0.26 -0.71 1.04 1.14 -2.51 0.00 0.00 175.55 174.77 2auy s GLN 224 N -4.01 0.57 0.37 -3.49 -2.07 -1.06 -3.65 119.66 106.32 2auy s GLN 224 Ca 0.22 -0.17 -0.19 0.00 -1.82 0.00 0.00 55.36 53.40 2auy s GLN 224 Cb 0.04 0.26 -0.10 0.00 -1.09 0.00 0.00 33.01 32.12 2auy s GLN 224 CO 0.03 -0.24 0.85 0.95 -1.32 0.00 0.00 175.29 175.56 2auy s THR 225 N -2.57 4.49 -0.34 3.63 -4.23 0.03 -4.86 115.64 111.80 2auy s THR 225 Ca 0.06 1.30 0.02 0.00 -1.18 0.00 0.00 61.69 61.89 2auy s THR 225 Cb -0.01 -3.66 0.10 0.00 1.34 0.00 0.00 72.50 70.28 2auy s THR 225 CO -0.06 -0.20 0.09 -1.00 -0.54 0.00 0.00 174.62 172.91 2auy s HIS 226 N -2.02 2.74 -0.32 3.99 0.09 -1.26 -3.11 115.29 115.40 2auy s HIS 226 Ca 0.57 -2.41 -0.08 0.00 -0.00 0.00 0.00 55.06 53.13 2auy s HIS 226 Cb -0.11 -2.33 0.01 0.00 -0.00 0.00 0.00 32.58 30.16 2auy s HIS 226 CO 0.16 -0.90 0.13 0.99 -0.00 0.00 0.00 174.74 175.11 2auy s THR 227 N 1.16 4.20 -0.26 1.30 2.01 -0.72 -1.80 115.64 121.53 2auy s THR 227 Ca 0.11 -0.74 -0.23 0.00 0.31 0.00 0.00 61.69 61.15 2auy s THR 227 Cb -0.19 -3.23 -0.01 0.00 0.01 0.00 0.00 72.50 69.09 2auy s THR 227 CO -0.15 -0.03 0.74 -0.22 -0.69 0.00 0.00 174.62 174.27 2auy s LEU 228 N 1.52 4.08 -0.15 4.42 2.96 -0.25 -1.65 118.68 129.61 2auy s LEU 228 Ca 0.02 0.83 0.12 0.00 -0.22 0.00 0.00 54.13 54.88 2auy s LEU 228 Cb -0.18 -3.03 -0.23 0.00 0.50 0.00 0.00 46.19 43.24 2auy s LEU 228 CO 0.04 -0.48 0.26 -0.62 -1.32 0.00 0.00 176.35 174.23 2auy n GLU 229 N 5.93 0.67 -3.49 1.98 1.02 0.20 -1.17 120.64 125.79 2auy n GLU 229 Ca 0.03 0.14 -0.11 0.00 -0.02 0.00 0.00 57.16 57.19 2auy n GLU 229 Cb 0.48 -1.63 -0.02 0.00 -0.02 0.00 0.00 31.44 30.25 2auy n GLU 229 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2auy s SER 230 N -5.95 -0.49 -0.29 1.62 1.04 -1.20 -4.30 113.70 104.13 2auy s SER 230 Ca -0.12 -0.10 -0.15 0.00 0.48 0.00 0.00 55.95 56.05 2auy s SER 230 Cb 0.07 0.59 0.13 0.00 0.10 0.00 0.00 66.02 66.91 2auy s SER 230 CO 0.80 -0.98 0.87 0.86 0.98 0.00 0.00 173.24 175.76 2auy s TRP 231 N -3.77 -0.79 0.00 5.02 -0.00 -0.50 -2.46 118.94 116.44 2auy s TRP 231 Ca 0.02 1.53 0.04 0.00 -0.00 0.00 0.00 56.10 57.70 2auy s TRP 231 Cb -0.01 0.47 -0.01 0.00 -0.00 0.00 0.00 33.47 33.92 2auy s TRP 231 CO -0.11 -0.39 -0.13 -1.54 -0.00 0.00 0.00 176.95 174.78 2auy s SER 232 N 1.65 1.56 0.00 5.86 1.04 0.14 0.75 113.70 124.70 2auy s SER 232 Ca -0.08 -0.30 -0.01 0.00 0.48 0.00 0.00 55.95 56.03 2auy s SER 232 Cb -0.05 -0.15 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 2auy s SER 232 CO -0.17 0.12 0.02 0.12 0.98 0.00 0.00 173.24 174.31 2auy s PHE 233 N -0.47 0.08 -0.14 5.02 2.19 0.01 -1.02 117.98 123.65 2auy s PHE 233 Ca 0.04 -0.17 -0.13 0.00 0.33 0.00 0.00 56.93 57.00 2auy s PHE 233 Cb -0.06 -0.07 0.04 0.00 -1.31 0.00 0.00 43.02 41.62 2auy s PHE 233 CO 0.00 -0.11 0.38 -0.08 1.83 0.00 0.00 175.22 177.24 2auy s THR 234 N -0.67 -0.00 -0.06 0.12 -1.32 -0.71 -1.18 115.64 111.82 2auy s THR 234 Ca -0.07 0.01 -0.09 0.00 -1.21 0.00 0.00 61.69 60.32 2auy s THR 234 Cb -0.05 -0.54 0.02 0.00 -1.51 0.00 0.00 72.50 70.43 2auy s THR 234 CO -0.00 0.00 0.23 -0.94 -2.21 0.00 0.00 174.62 171.70 2auy s SER 235 N 0.28 -0.18 -0.10 8.08 1.04 -0.24 -0.79 113.70 121.80 2auy s SER 235 Ca -0.01 0.26 -0.05 0.00 0.48 0.00 0.00 55.95 56.64 2auy s SER 235 Cb -0.03 0.40 0.04 0.00 0.10 0.00 0.00 66.02 66.53 2auy s SER 235 CO -0.00 -0.20 0.23 -0.89 0.98 0.00 0.00 173.24 173.35 2auy s THR 236 N -0.44 -0.04 0.07 2.02 2.01 -0.46 -1.37 115.64 117.43 2auy s THR 236 Ca -0.05 0.13 -0.31 0.00 0.31 0.00 0.00 61.69 61.77 2auy s THR 236 Cb -0.04 -0.36 -0.06 0.00 0.01 0.00 0.00 72.50 72.06 2auy s THR 236 CO 0.01 0.05 1.26 -0.76 -0.69 0.00 0.00 174.62 174.50 2auy s LEU 237 N 1.10 4.37 0.15 4.42 1.43 -0.32 -0.92 118.68 128.91 2auy s LEU 237 Ca -0.08 2.11 0.07 0.00 -1.03 0.00 0.00 54.13 55.20 2auy s LEU 237 Cb -0.09 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 2auy s LEU 237 CO -0.07 -0.54 -0.16 -0.76 0.23 0.00 0.00 176.35 175.06 2auy s LEU 238 N 1.14 2.44 0.29 1.79 1.02 -0.85 -4.94 118.68 119.57 2auy s LEU 238 Ca 0.61 -0.86 -0.28 0.00 0.02 0.00 0.00 54.13 53.61 2auy s LEU 238 Cb -0.32 -0.68 -0.09 0.00 0.02 0.00 0.00 46.19 45.12 2auy s LEU 238 CO 0.29 -0.10 0.97 -0.31 0.02 0.00 0.00 176.35 177.22 2auy s TYR 239 N -2.23 3.78 -0.03 0.29 2.02 -1.26 -1.59 117.35 118.32 2auy s TYR 239 Ca 0.14 1.82 0.02 0.00 -0.37 0.00 0.00 57.07 58.68 2auy s TYR 239 Cb -0.05 -3.01 0.01 0.00 -0.40 0.00 0.00 41.96 38.51 2auy s TYR 239 CO 0.05 0.16 -0.06 0.99 -1.57 0.00 0.00 175.55 175.12 2auy s THR 240 N -1.37 0.59 0.00 -0.71 2.01 -1.25 -4.93 115.64 109.99 2auy s THR 240 Ca 0.46 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.24 2auy s THR 240 Cb -0.24 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.71 2auy s THR 240 CO 0.30 0.21 0.00 0.00 -0.69 0.00 0.00 174.62 174.44