#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 1.22 -0.13 -2.24 1.04 -1.26 -1.00 113.70 111.32 2auy s SER 3 Ca 0.00 -0.37 -0.11 0.00 0.48 0.00 0.00 55.95 55.95 2auy s SER 3 Cb 0.00 -0.07 0.04 0.00 0.10 0.00 0.00 66.02 66.08 2auy s SER 3 CO 0.00 -0.00 0.34 -0.22 0.98 0.00 0.00 173.24 174.34 2auy s LEU 4 N -0.91 0.63 -0.03 2.42 2.96 -0.58 -5.01 118.68 118.15 2auy s LEU 4 Ca -0.01 0.69 -0.19 0.00 -0.22 0.00 0.00 54.13 54.41 2auy s LEU 4 Cb -0.07 1.16 0.04 0.00 0.50 0.00 0.00 46.19 47.82 2auy s LEU 4 CO 0.01 -0.13 0.41 -0.94 -1.32 0.00 0.00 176.35 174.38 2auy s SER 5 N 0.32 -0.32 0.03 3.68 1.04 -1.26 -0.97 113.70 116.23 2auy s SER 5 Ca -0.01 0.30 -0.21 0.00 0.48 0.00 0.00 55.95 56.51 2auy s SER 5 Cb -0.03 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.55 2auy s SER 5 CO -0.01 -0.46 0.48 0.72 0.98 0.00 0.00 173.24 174.95 2auy s PHE 6 N -1.17 -0.37 -0.05 5.02 -0.12 -0.37 -5.00 117.98 115.92 2auy s PHE 6 Ca -0.12 0.43 -0.02 0.00 -0.05 0.00 0.00 56.93 57.17 2auy s PHE 6 Cb -0.04 0.29 0.04 0.00 -0.63 0.00 0.00 43.02 42.68 2auy s PHE 6 CO 0.05 -0.60 0.11 0.20 -0.05 0.00 0.00 175.22 174.93 2auy s GLY 7 N -1.88 0.02 -0.54 1.99 0.00 -1.26 -1.03 107.32 104.62 2auy s GLY 7 Ca -0.06 0.55 -0.02 0.00 0.00 0.00 0.00 44.72 45.19 2auy s GLY 7 CO -0.01 0.96 0.33 -1.36 0.00 0.00 0.00 173.10 173.03 2auy s PHE 8 N 1.24 3.44 0.38 1.90 0.40 0.26 -4.93 117.98 120.68 2auy s PHE 8 Ca -0.08 -2.71 0.08 0.00 -0.60 0.00 0.00 56.93 53.61 2auy s PHE 8 Cb -0.12 -3.14 0.77 0.00 0.51 0.00 0.00 43.02 41.04 2auy s PHE 8 CO -0.05 -0.87 1.95 -1.35 0.70 0.00 0.00 175.22 175.60 2auy h PRO 9 N 7.25 0.39 -4.29 0.24 0.11 -1.91 -1.39 132.00 132.41 2auy h PRO 9 Ca -0.06 -0.07 -0.33 0.00 0.11 0.00 0.00 66.00 65.66 2auy h PRO 9 Cb 0.97 -0.07 -0.09 0.00 0.11 0.00 0.00 31.00 31.93 2auy h PRO 9 CO 0.70 0.41 -0.24 0.95 -0.21 0.00 0.00 178.00 179.60 2auy s THR 10 N -5.02 0.00 -0.60 -1.15 -4.23 -1.26 -4.49 115.64 98.88 2auy s THR 10 Ca -0.07 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 58.81 2auy s THR 10 Cb 0.16 -2.64 0.16 0.00 1.34 0.00 0.00 72.50 71.52 2auy s THR 10 CO 0.74 0.00 0.42 -0.36 -0.54 0.00 0.00 174.62 174.88 2auy s PHE 11 N -3.04 2.87 0.92 3.99 0.08 -0.23 -4.96 117.98 117.61 2auy s PHE 11 Ca 0.33 -3.03 -0.10 0.00 0.12 0.00 0.00 56.93 54.24 2auy s PHE 11 Cb -0.00 -2.26 0.15 0.00 -0.57 0.00 0.00 43.02 40.33 2auy s PHE 11 CO 0.23 -0.64 1.14 -2.14 -0.10 0.00 0.00 175.22 173.71 2auy s PRO 12 N -0.88 1.00 0.43 0.24 0.02 -1.26 -3.60 135.00 130.94 2auy s PRO 12 Ca 0.25 1.52 0.19 0.00 0.02 0.00 0.00 61.00 62.98 2auy s PRO 12 Cb -0.06 -1.73 0.97 0.00 0.02 0.00 0.00 34.50 33.70 2auy s PRO 12 CO -0.14 -2.63 1.90 0.66 -0.33 0.00 0.00 177.00 176.45 2auy h SER 13 N -1.87 0.00 -1.10 2.53 4.64 -1.97 -3.36 113.55 112.42 2auy h SER 13 Ca -0.44 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.14 2auy h SER 13 Cb 1.27 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.23 2auy h SER 13 CO 0.42 0.27 2.31 -0.90 -0.87 0.00 0.00 176.83 178.06 2auy n ASP 14 N -3.81 5.42 -4.80 4.97 3.85 -1.26 -4.98 116.55 115.94 2auy n ASP 14 Ca -0.01 -3.06 -0.37 0.00 -0.71 0.00 0.00 54.79 50.64 2auy n ASP 14 Cb 0.36 -1.49 -0.06 0.00 -1.35 0.00 0.00 41.12 38.58 2auy n ASP 14 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 2auy s GLN 15 N 0.64 4.38 0.00 0.11 -1.52 -1.26 -4.97 119.66 117.04 2auy s GLN 15 Ca 0.43 1.01 0.00 0.00 -1.95 0.00 0.00 55.36 54.86 2auy s GLN 15 Cb 0.12 -2.94 0.00 0.00 -0.22 0.00 0.00 33.01 29.97 2auy s GLN 15 CO -0.02 0.41 0.00 1.63 -0.25 0.00 0.00 175.29 177.05 2auy n LYS 16 N 0.87 2.44 -0.63 2.91 4.76 -1.26 -4.79 118.16 122.45 2auy n LYS 16 Ca -0.02 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.50 2auy n LYS 16 Cb 0.50 -0.99 0.32 0.00 -1.84 0.00 0.00 35.03 33.03 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 -1.77 4.66 -4.50 4.39 3.02 -1.26 -4.97 115.26 114.83 2auy n ASN 17 Ca 0.00 -2.94 -0.33 0.00 -0.03 0.00 0.00 54.58 51.28 2auy n ASN 17 Cb 0.30 -0.60 -0.12 0.00 -0.61 0.00 0.00 39.78 38.75 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 -2.72 2.94 -0.35 3.41 1.43 -1.26 -0.57 118.68 121.55 2auy s LEU 18 Ca 0.47 -0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 53.30 2auy s LEU 18 Cb 0.37 -1.63 -0.00 0.00 0.03 0.00 0.00 46.19 44.95 2auy s LEU 18 CO 0.13 0.31 0.24 -0.63 0.23 0.00 0.00 176.35 176.62 2auy s ILE 19 N -0.50 5.10 -0.15 -0.59 1.01 0.32 -4.91 121.20 121.49 2auy s ILE 19 Ca 0.07 -0.41 -0.14 0.00 0.00 0.00 0.00 60.65 60.17 2auy s ILE 19 Cb -0.12 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 2auy s ILE 19 CO 0.02 -0.09 0.31 -0.36 0.00 0.00 0.00 174.94 174.82 2auy s PHE 20 N 1.68 3.48 0.06 3.97 0.08 -1.26 -1.51 117.98 124.47 2auy s PHE 20 Ca 0.05 0.63 0.06 0.00 0.12 0.00 0.00 56.93 57.80 2auy s PHE 20 Cb -0.18 -2.35 -0.03 0.00 -0.57 0.00 0.00 43.02 39.89 2auy s PHE 20 CO 0.09 0.26 -0.17 -0.65 -0.10 0.00 0.00 175.22 174.65 2auy s GLN 21 N 0.40 1.06 5.96 0.44 -0.21 -0.16 -5.01 119.66 122.14 2auy s GLN 21 Ca 0.18 -0.92 0.00 0.00 0.02 0.00 0.00 55.36 54.64 2auy s GLN 21 Cb -0.13 -1.15 0.00 0.00 1.00 0.00 0.00 33.01 32.73 2auy s GLN 21 CO 0.05 0.28 0.00 0.41 -2.12 0.00 0.00 175.29 173.91 2auy n GLY 22 N 1.62 2.01 0.67 3.09 0.00 -1.26 -1.42 105.19 109.89 2auy n GLY 22 Ca -0.19 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 3.73 2.04 -4.75 1.61 8.00 0.71 -4.93 116.55 122.95 2auy n ASP 23 Ca 0.00 -1.73 -0.42 0.00 0.71 0.00 0.00 54.79 53.36 2auy n ASP 23 Cb 0.00 -0.09 -0.01 0.00 -0.02 0.00 0.00 41.12 41.00 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 0.57 2.45 -3.43 2.24 0.00 -1.14 -4.45 120.51 116.75 2auy n ALA 24 Ca 0.17 0.36 -0.12 0.00 0.00 0.00 0.00 53.44 53.86 2auy n ALA 24 Cb 0.41 -2.44 -0.02 0.00 0.00 0.00 0.00 19.45 17.39 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 -1.09 1.23 -0.06 0.00 -2.07 -0.67 -4.77 119.66 112.23 2auy s GLN 25 Ca 0.60 -0.43 -0.23 0.00 -1.82 0.00 0.00 55.36 53.48 2auy s GLN 25 Cb -0.49 0.57 -0.04 0.00 -1.09 0.00 0.00 33.01 31.95 2auy s GLN 25 CO 0.54 -0.53 0.67 0.42 -1.32 0.00 0.00 175.29 175.07 2auy s ILE 26 N -3.61 5.04 -0.14 3.63 -1.09 -1.26 -0.26 121.20 123.51 2auy s ILE 26 Ca 0.01 1.38 -0.06 0.00 -2.23 0.00 0.00 60.65 59.75 2auy s ILE 26 Cb -0.01 -4.01 0.06 0.00 -1.58 0.00 0.00 42.46 36.92 2auy s ILE 26 CO -0.12 0.28 0.31 -0.54 -1.23 0.00 0.00 174.94 173.64 2auy s LYS 27 N 0.67 0.25 -1.24 2.79 1.02 -0.38 -4.93 119.74 117.92 2auy s LYS 27 Ca 0.36 0.71 -0.03 0.00 0.02 0.00 0.00 55.97 57.02 2auy s LYS 27 Cb -0.18 -0.02 -0.01 0.00 -0.52 0.00 0.00 37.83 37.10 2auy s LYS 27 CO 0.17 -0.20 0.78 0.09 -0.92 0.00 0.00 175.35 175.27 2auy n ASN 28 N 4.67 -2.37 -2.00 2.83 5.03 -1.26 -2.36 115.26 119.81 2auy n ASN 28 Ca -0.18 -0.79 -0.13 0.00 0.87 0.00 0.00 54.58 54.34 2auy n ASN 28 Cb 0.52 -4.30 -0.03 0.00 -1.02 0.00 0.00 39.78 34.95 2auy n ASN 28 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2auy n ASN 29 N -3.05 -3.91 -4.07 6.41 4.13 -1.26 -4.94 115.26 108.58 2auy n ASN 29 Ca -0.25 0.24 -0.07 0.00 1.68 0.00 0.00 54.58 56.17 2auy n ASN 29 Cb 0.66 -3.44 -0.10 0.00 -1.54 0.00 0.00 39.78 35.36 2auy n ASN 29 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2auy s ALA 30 N -2.45 0.43 -0.29 5.41 0.00 -0.99 -1.06 121.76 122.80 2auy s ALA 30 Ca 0.00 -1.12 -0.17 0.00 0.00 0.00 0.00 51.96 50.67 2auy s ALA 30 Cb 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.37 2auy s ALA 30 CO 0.00 -0.36 0.49 0.08 0.00 0.00 0.00 175.76 175.97 2auy s VAL 31 N -3.70 5.07 -0.58 0.00 1.01 -0.16 -1.25 120.40 120.79 2auy s VAL 31 Ca 0.05 0.64 -0.19 0.00 0.00 0.00 0.00 61.98 62.49 2auy s VAL 31 Cb 0.06 -3.85 0.10 0.00 0.00 0.00 0.00 36.38 32.69 2auy s VAL 31 CO -0.09 -0.00 0.68 -1.10 0.00 0.00 0.00 175.10 174.58 2auy s GLN 32 N 2.30 3.05 0.20 2.72 -1.52 0.64 -0.94 119.66 126.10 2auy s GLN 32 Ca 0.19 -1.30 -0.08 0.00 -1.95 0.00 0.00 55.36 52.23 2auy s GLN 32 Cb -0.16 -4.25 0.12 0.00 -0.22 0.00 0.00 33.01 28.50 2auy s GLN 32 CO 0.11 -1.49 1.69 -0.07 -0.25 0.00 0.00 175.29 175.28 2auy h LEU 33 N 9.86 1.05 -9.49 2.90 3.38 -1.69 -1.78 115.31 119.55 2auy h LEU 33 Ca -0.29 -0.26 -0.65 0.00 0.09 0.00 0.00 57.88 56.76 2auy h LEU 33 Cb 1.09 -0.28 -0.12 0.00 0.09 0.00 0.00 40.66 41.44 2auy h LEU 33 CO 1.08 1.05 -0.64 0.42 0.09 0.00 0.00 178.44 180.44 2auy s THR 34 N -5.15 4.20 0.56 0.22 -4.23 -1.26 -2.90 115.64 107.08 2auy s THR 34 Ca -0.12 -0.81 -0.21 0.00 -1.18 0.00 0.00 61.69 59.37 2auy s THR 34 Cb 0.14 -2.97 -0.05 0.00 1.34 0.00 0.00 72.50 70.96 2auy s THR 34 CO 0.85 0.20 1.24 1.17 -0.54 0.00 0.00 174.62 177.54 2auy n LYS 35 N 0.78 1.43 -4.21 3.99 4.81 -1.26 -4.78 118.16 118.92 2auy n LYS 35 Ca -0.11 0.53 -0.12 0.00 -0.87 0.00 0.00 58.31 57.74 2auy n LYS 35 Cb 0.52 -2.44 -0.10 0.00 0.02 0.00 0.00 35.03 33.03 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 -1.34 0.54 0.22 3.15 -4.23 -1.26 -3.09 115.64 109.64 2auy s THR 36 Ca 0.73 -1.96 -0.02 0.00 -1.18 0.00 0.00 61.69 59.27 2auy s THR 36 Cb -0.42 -2.04 0.05 0.00 1.34 0.00 0.00 72.50 71.42 2auy s THR 36 CO 0.48 -0.53 0.30 -0.90 -0.54 0.00 0.00 174.62 173.44 2auy n ASP 37 N -0.18 0.25 -0.22 3.99 5.68 0.07 -4.89 116.55 121.25 2auy n ASP 37 Ca -0.07 -1.25 0.11 0.00 -0.50 0.00 0.00 54.79 53.08 2auy n ASP 37 Cb 0.63 -0.21 0.40 0.00 -1.14 0.00 0.00 41.12 40.80 2auy n ASP 37 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2auy h SER 38 N -0.27 0.59 -0.47 -1.12 0.02 -2.03 -1.41 113.55 108.87 2auy h SER 38 Ca -0.10 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2auy h SER 38 Cb 0.33 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2auy h SER 38 CO 0.09 0.33 0.00 -0.46 -1.14 0.00 0.00 176.83 175.65 2auy n ASN 39 N -4.51 2.80 0.00 3.07 6.94 -1.26 -4.94 115.26 117.35 2auy n ASN 39 Ca 0.14 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.75 2auy n ASN 39 Cb 0.40 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 2auy n ASN 39 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2auy n GLY 40 N 1.35 0.64 3.85 4.83 0.00 -0.53 -5.07 105.19 110.25 2auy n GLY 40 Ca 0.18 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.27 6.78 0.52 1.61 -0.87 -1.26 -4.75 114.94 114.70 2auy s ASN 41 Ca 0.00 0.96 -0.22 0.00 -1.57 0.00 0.00 52.86 52.03 2auy s ASN 41 Cb 0.00 -2.25 -0.06 0.00 -0.02 0.00 0.00 41.25 38.93 2auy s ASN 41 CO 0.00 0.22 1.28 -2.16 -2.57 0.00 0.00 177.10 173.87 2auy s PRO 42 N -1.54 3.35 0.28 -0.60 0.04 -1.26 -0.75 135.00 134.51 2auy s PRO 42 Ca 0.30 2.04 0.10 0.00 0.04 0.00 0.00 61.00 63.48 2auy s PRO 42 Cb -0.16 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 2auy s PRO 42 CO 0.17 -0.96 -0.15 0.14 0.04 0.00 0.00 177.00 176.24 2auy s VAL 43 N -1.41 2.14 0.78 -0.36 -7.23 -1.18 -4.85 120.40 108.29 2auy s VAL 43 Ca 0.69 -2.28 -0.12 0.00 -1.81 0.00 0.00 61.98 58.46 2auy s VAL 43 Cb -0.35 -2.33 0.06 0.00 0.56 0.00 0.00 36.38 34.31 2auy s VAL 43 CO 0.42 -0.39 1.15 0.00 -0.31 0.00 0.00 175.10 175.97 2auy s ALA 44 N -2.71 2.71 -0.75 1.32 0.00 -1.26 -4.58 121.76 116.48 2auy s ALA 44 Ca 0.29 -0.54 -0.04 0.00 0.00 0.00 0.00 51.96 51.67 2auy s ALA 44 Cb -0.01 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.13 2auy s ALA 44 CO 0.13 -1.51 0.64 0.43 0.00 0.00 0.00 175.76 175.45 2auy n SER 45 N -3.22 -5.93 -3.80 0.00 7.64 -0.12 -4.98 113.62 103.21 2auy n SER 45 Ca 0.08 -0.57 -0.13 0.00 1.01 0.00 0.00 58.87 59.26 2auy n SER 45 Cb 0.60 -2.93 -0.12 0.00 -1.01 0.00 0.00 64.21 60.74 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 -2.86 0.00 0.00 0.44 -1.32 -0.73 -5.00 115.64 106.19 2auy s THR 46 Ca 0.04 -0.02 0.01 0.00 -1.21 0.00 0.00 61.69 60.51 2auy s THR 46 Cb -0.01 -0.32 -0.01 0.00 -1.51 0.00 0.00 72.50 70.65 2auy s THR 46 CO 0.85 -0.01 -0.04 -0.69 -2.21 0.00 0.00 174.62 172.51 2auy s VAL 47 N 0.07 0.33 -0.11 5.08 1.01 -1.26 -0.95 120.40 124.56 2auy s VAL 47 Ca -0.00 -0.32 -0.25 0.00 0.00 0.00 0.00 61.98 61.40 2auy s VAL 47 Cb -0.02 -0.31 0.06 0.00 0.00 0.00 0.00 36.38 36.11 2auy s VAL 47 CO 0.00 -0.00 0.60 -0.83 0.00 0.00 0.00 175.10 174.88 2auy s GLY 48 N -0.35 -0.47 0.10 4.51 0.00 -0.77 -0.21 107.32 110.12 2auy s GLY 48 Ca -0.01 1.34 -0.09 0.00 0.00 0.00 0.00 44.72 45.96 2auy s GLY 48 CO -0.00 1.04 0.20 0.50 0.00 0.00 0.00 173.10 174.84 2auy s ARG 49 N -0.64 0.88 0.02 2.90 0.52 -0.51 -1.63 118.95 120.50 2auy s ARG 49 Ca -0.07 -0.99 0.01 0.00 -0.52 0.00 0.00 55.73 54.16 2auy s ARG 49 Cb -0.02 0.35 -0.02 0.00 0.52 0.00 0.00 34.95 35.77 2auy s ARG 49 CO 0.06 -0.29 -0.05 0.96 0.02 0.00 0.00 175.30 176.00 2auy s ILE 50 N -3.88 0.28 0.02 1.52 -4.36 -0.56 -0.99 121.20 113.23 2auy s ILE 50 Ca 0.07 -0.85 0.01 0.00 -0.26 0.00 0.00 60.65 59.61 2auy s ILE 50 Cb 0.05 -0.37 -0.01 0.00 1.25 0.00 0.00 42.46 43.37 2auy s ILE 50 CO -0.10 -0.38 -0.03 -0.76 0.24 0.00 0.00 174.94 173.92 2auy s LEU 51 N -1.30 2.15 0.25 0.37 1.43 -0.57 -1.39 118.68 119.63 2auy s LEU 51 Ca -0.11 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.36 2auy s LEU 51 Cb -0.09 -0.01 -0.09 0.00 0.03 0.00 0.00 46.19 46.03 2auy s LEU 51 CO -0.00 -0.16 1.01 0.12 0.23 0.00 0.00 176.35 177.55 2auy s PHE 52 N -0.91 3.80 0.14 0.29 5.36 -0.67 -0.52 117.98 125.47 2auy s PHE 52 Ca -0.09 1.81 -0.15 0.00 -0.96 0.00 0.00 56.93 57.55 2auy s PHE 52 Cb -0.06 -3.12 0.01 0.00 -0.34 0.00 0.00 43.02 39.51 2auy s PHE 52 CO -0.00 -0.00 1.67 0.66 -1.46 0.00 0.00 175.22 176.09 2auy h SER 53 N 4.08 0.63 -3.44 6.13 4.64 -1.19 -3.43 113.55 120.98 2auy h SER 53 Ca -0.46 -0.19 -0.52 0.00 -0.47 0.00 0.00 61.79 60.15 2auy h SER 53 Cb 1.21 -0.16 0.04 0.00 -0.31 0.00 0.00 62.40 63.17 2auy h SER 53 CO 0.68 0.65 0.68 0.00 -0.87 0.00 0.00 176.83 177.97 2auy s ALA 54 N -5.47 3.55 0.39 5.18 0.00 -1.26 -4.99 121.76 119.16 2auy s ALA 54 Ca -0.13 1.19 -0.23 0.00 0.00 0.00 0.00 51.96 52.78 2auy s ALA 54 Cb 0.11 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 2auy s ALA 54 CO 0.77 -0.60 0.96 -0.65 0.00 0.00 0.00 175.76 176.23 2auy s GLN 55 N -0.38 4.35 -0.16 0.00 -0.21 -1.26 -4.83 119.66 117.18 2auy s GLN 55 Ca 0.57 1.25 -0.06 0.00 0.02 0.00 0.00 55.36 57.14 2auy s GLN 55 Cb -0.38 -2.46 -0.04 0.00 1.00 0.00 0.00 33.01 31.12 2auy s GLN 55 CO 0.41 0.07 0.05 0.08 -2.12 0.00 0.00 175.29 173.78 2auy s VAL 56 N -1.89 4.66 -0.81 1.09 1.01 0.55 -4.92 120.40 120.09 2auy s VAL 56 Ca 0.57 -0.09 -0.20 0.00 0.00 0.00 0.00 61.98 62.26 2auy s VAL 56 Cb -0.14 -3.07 0.10 0.00 0.00 0.00 0.00 36.38 33.27 2auy s VAL 56 CO 0.19 0.50 1.06 -2.28 0.00 0.00 0.00 175.10 174.57 2auy s HIS 57 N 0.07 2.92 0.15 5.22 2.46 -1.26 -1.05 115.29 123.79 2auy s HIS 57 Ca 0.05 -1.02 -0.06 0.00 0.47 0.00 0.00 55.06 54.49 2auy s HIS 57 Cb -0.12 -4.29 -0.01 0.00 -0.13 0.00 0.00 32.58 28.02 2auy s HIS 57 CO 0.01 -1.56 1.40 1.25 -2.47 0.00 0.00 174.74 173.37 2auy h LEU 58 N 10.85 0.69 -7.16 8.88 5.85 -1.12 -3.43 115.31 129.87 2auy h LEU 58 Ca -0.04 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 2auy h LEU 58 Cb 1.04 -0.20 -0.13 0.00 0.37 0.00 0.00 40.66 41.74 2auy h LEU 58 CO 1.15 1.19 0.09 -1.66 -0.34 0.00 0.00 178.44 178.88 2auy s TRP 59 N -3.75 -0.42 -0.17 1.25 1.48 -1.11 -0.39 118.94 115.83 2auy s TRP 59 Ca -0.08 0.25 -0.02 0.00 -1.06 0.00 0.00 56.10 55.20 2auy s TRP 59 Cb 0.10 0.42 0.05 0.00 -1.16 0.00 0.00 33.47 32.88 2auy s TRP 59 CO 0.87 -0.76 -0.00 -2.00 -4.06 0.00 0.00 176.95 171.00 2auy s GLU 60 N -3.43 0.92 0.21 3.25 2.12 -0.25 -4.54 118.70 116.97 2auy s GLU 60 Ca -0.00 -0.38 -0.09 0.00 0.36 0.00 0.00 54.97 54.86 2auy s GLU 60 Cb -0.00 -1.90 0.16 0.00 0.26 0.00 0.00 34.13 32.65 2auy s GLU 60 CO -0.10 -0.52 1.82 -0.22 -0.54 0.00 0.00 175.26 175.70 2auy h LYS 61 N 8.21 1.10 0.06 4.30 3.64 -1.96 0.24 116.57 132.16 2auy h LYS 61 Ca -0.19 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.06 2auy h LYS 61 Cb 1.12 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 2auy h LYS 61 CO 0.34 0.83 -0.10 0.66 -2.27 0.00 0.00 179.45 178.92 2auy h SER 62 N 1.09 -0.26 0.36 4.20 4.64 -1.96 -2.81 113.55 118.81 2auy h SER 62 Ca 0.27 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2auy h SER 62 Cb 0.07 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2auy h SER 62 CO -0.04 -0.15 -0.25 -1.54 -0.87 0.00 0.00 176.83 173.99 2auy n SER 63 N -5.22 0.71 -2.72 4.97 3.41 -1.21 -4.93 113.62 108.63 2auy n SER 63 Ca -0.07 -0.61 -0.20 0.00 -0.26 0.00 0.00 58.87 57.73 2auy n SER 63 Cb 0.14 0.06 0.03 0.00 -0.26 0.00 0.00 64.21 64.18 2auy n SER 63 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2auy n SER 64 N -0.94 -5.73 -4.89 4.04 2.88 0.01 -4.99 113.62 104.00 2auy n SER 64 Ca 0.11 -0.25 -0.27 0.00 -1.33 0.00 0.00 58.87 57.13 2auy n SER 64 Cb 0.32 -4.57 -0.04 0.00 -0.75 0.00 0.00 64.21 59.18 2auy n SER 64 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2auy s ARG 65 N -5.56 3.27 -0.01 -1.46 0.52 -0.83 -4.74 118.95 110.13 2auy s ARG 65 Ca 0.26 -0.64 0.02 0.00 -0.52 0.00 0.00 55.73 54.85 2auy s ARG 65 Cb -0.11 -2.89 0.00 0.00 0.52 0.00 0.00 34.95 32.47 2auy s ARG 65 CO 0.32 0.53 -0.07 0.08 0.02 0.00 0.00 175.30 176.19 2auy s VAL 66 N -1.67 0.58 0.36 3.52 1.01 -0.97 -1.10 120.40 122.13 2auy s VAL 66 Ca 0.33 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.86 2auy s VAL 66 Cb -0.11 -0.51 -0.10 0.00 0.00 0.00 0.00 36.38 35.66 2auy s VAL 66 CO 0.27 0.18 0.83 0.00 0.00 0.00 0.00 175.10 176.38 2auy s ALA 67 N 0.06 3.20 0.15 5.51 0.00 0.47 -1.59 121.76 129.56 2auy s ALA 67 Ca -0.00 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.20 2auy s ALA 67 Cb -0.05 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 2auy s ALA 67 CO -0.00 0.24 0.27 0.54 0.00 0.00 0.00 175.76 176.81 2auy s ASN 68 N -2.19 6.26 0.05 0.00 4.22 -0.60 -4.48 114.94 118.21 2auy s ASN 68 Ca 0.57 0.14 -0.17 0.00 -2.14 0.00 0.00 52.86 51.27 2auy s ASN 68 Cb -0.10 -1.87 0.03 0.00 1.28 0.00 0.00 41.25 40.59 2auy s ASN 68 CO 0.16 0.05 0.38 0.72 -2.04 0.00 0.00 177.10 176.37 2auy s PHE 69 N -1.74 -0.21 -0.02 1.54 -0.12 -0.99 -2.16 117.98 114.27 2auy s PHE 69 Ca 0.34 0.12 -0.00 0.00 -0.05 0.00 0.00 56.93 57.34 2auy s PHE 69 Cb -0.11 0.18 0.03 0.00 -0.63 0.00 0.00 43.02 42.49 2auy s PHE 69 CO 0.28 -0.56 0.03 -1.14 -0.05 0.00 0.00 175.22 173.78 2auy s GLN 70 N -2.61 -0.03 -0.11 1.99 0.74 -0.37 -1.00 119.66 118.26 2auy s GLN 70 Ca -0.04 0.19 0.01 0.00 0.05 0.00 0.00 55.36 55.56 2auy s GLN 70 Cb -0.01 -0.24 0.02 0.00 1.10 0.00 0.00 33.01 33.88 2auy s GLN 70 CO -0.03 -0.17 -0.12 0.45 -0.55 0.00 0.00 175.29 174.87 2auy s SER 71 N 1.06 2.30 -0.10 6.67 0.15 0.72 -1.72 113.70 122.79 2auy s SER 71 Ca -0.09 -0.38 0.04 0.00 0.70 0.00 0.00 55.95 56.22 2auy s SER 71 Cb -0.13 -0.98 -0.01 0.00 -1.71 0.00 0.00 66.02 63.20 2auy s SER 71 CO -0.03 -0.05 -0.22 -1.58 1.20 0.00 0.00 173.24 172.56 2auy s GLN 72 N 1.33 3.01 0.21 5.44 0.74 -0.07 -0.52 119.66 129.80 2auy s GLN 72 Ca -0.01 -0.85 -0.19 0.00 0.05 0.00 0.00 55.36 54.37 2auy s GLN 72 Cb -0.14 -2.34 0.03 0.00 1.10 0.00 0.00 33.01 31.67 2auy s GLN 72 CO -0.06 0.23 0.58 -0.59 -0.55 0.00 0.00 175.29 174.91 2auy s PHE 73 N 0.23 -0.19 0.01 1.67 -0.12 -0.60 -0.20 117.98 118.77 2auy s PHE 73 Ca -0.14 -0.15 0.01 0.00 -0.05 0.00 0.00 56.93 56.59 2auy s PHE 73 Cb -0.17 0.49 -0.01 0.00 -0.63 0.00 0.00 43.02 42.70 2auy s PHE 73 CO 0.07 -0.98 -0.03 -1.54 -0.05 0.00 0.00 175.22 172.69 2auy s SER 74 N -2.87 0.28 0.14 1.98 1.04 -1.03 -0.16 113.70 113.09 2auy s SER 74 Ca 0.09 -0.27 -0.11 0.00 0.48 0.00 0.00 55.95 56.13 2auy s SER 74 Cb -0.02 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.14 2auy s SER 74 CO -0.02 -0.13 0.31 0.72 0.98 0.00 0.00 173.24 175.10 2auy s PHE 75 N -0.75 0.16 0.04 5.02 -0.71 -1.00 -0.93 117.98 119.82 2auy s PHE 75 Ca -0.07 -0.53 0.02 0.00 -1.04 0.00 0.00 56.93 55.30 2auy s PHE 75 Cb -0.05 0.05 -0.03 0.00 -1.21 0.00 0.00 43.02 41.78 2auy s PHE 75 CO -0.00 -0.69 -0.07 -1.54 -1.34 0.00 0.00 175.22 171.58 2auy s SER 76 N -2.90 0.77 -0.05 1.98 1.04 -0.56 -0.87 113.70 113.11 2auy s SER 76 Ca 0.10 -0.60 0.06 0.00 0.48 0.00 0.00 55.95 55.99 2auy s SER 76 Cb 0.03 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.20 2auy s SER 76 CO -0.06 -0.26 -0.23 -0.76 0.98 0.00 0.00 173.24 172.92 2auy s LEU 77 N -1.74 2.03 -0.01 2.42 1.43 -1.26 -1.74 118.68 119.82 2auy s LEU 77 Ca -0.08 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 2auy s LEU 77 Cb -0.08 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.88 2auy s LEU 77 CO -0.01 0.23 -0.01 -0.54 0.23 0.00 0.00 176.35 176.25 2auy s LYS 78 N -0.16 0.17 -0.16 1.70 -0.14 -1.20 0.59 119.74 120.54 2auy s LYS 78 Ca -0.02 -0.04 -0.18 0.00 -1.36 0.00 0.00 55.97 54.37 2auy s LYS 78 Cb -0.13 -0.20 0.05 0.00 -1.68 0.00 0.00 37.83 35.87 2auy s LYS 78 CO 0.03 0.01 0.50 0.45 -0.76 0.00 0.00 175.35 175.57 2auy s SER 79 N 0.16 -0.50 0.44 2.83 0.15 -1.26 -0.48 113.70 115.04 2auy s SER 79 Ca -0.01 0.90 0.10 0.00 0.70 0.00 0.00 55.95 57.64 2auy s SER 79 Cb -0.03 0.92 0.97 0.00 -1.71 0.00 0.00 66.02 66.16 2auy s SER 79 CO -0.00 -0.23 2.05 -0.65 1.20 0.00 0.00 173.24 175.60 2auy h PRO 80 N 5.03 0.29 0.00 5.44 0.11 -1.96 -3.42 132.00 137.49 2auy h PRO 80 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2auy h PRO 80 Cb 1.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2auy h PRO 80 CO 0.22 0.25 0.00 1.28 -0.21 0.00 0.00 178.00 179.55 2auy n LEU 81 N -4.44 0.00 0.00 2.35 4.77 -1.26 -5.05 117.00 113.36 2auy n LEU 81 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2auy n LEU 81 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2auy n LEU 81 CO 0.36 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.18 2auy n SER 82 N 0.00 0.00 -2.71 -1.43 2.88 -1.26 -4.88 113.62 106.22 2auy n SER 82 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2auy n SER 82 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 2auy n SER 82 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2auy n ASN 83 N 0.00 7.56 -4.64 -3.46 5.03 -1.26 -5.02 115.26 113.47 2auy n ASN 83 Ca 0.00 -3.80 -0.40 0.00 0.87 0.00 0.00 54.58 51.25 2auy n ASN 83 Cb 0.00 -1.04 0.03 0.00 -1.02 0.00 0.00 39.78 37.74 2auy n ASN 83 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2auy n GLY 84 N -0.62 -0.03 3.19 7.41 0.00 -1.26 -4.61 105.19 109.27 2auy n GLY 84 Ca 0.57 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.34 0.09 -0.02 4.61 0.00 -1.23 -4.34 121.76 119.53 2auy s ALA 85 Ca 0.67 -0.88 0.11 0.00 0.00 0.00 0.00 51.96 51.86 2auy s ALA 85 Cb -0.49 0.51 -0.17 0.00 0.00 0.00 0.00 23.12 22.97 2auy s ALA 85 CO 0.54 -0.49 0.23 -0.25 0.00 0.00 0.00 175.76 175.79 2auy n ASP 86 N -0.04 2.55 0.00 0.00 8.00 0.51 -2.60 116.55 124.97 2auy n ASP 86 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.37 2auy n ASP 86 Cb 0.62 1.46 0.00 0.00 -0.02 0.00 0.00 41.12 43.18 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 1.91 2.60 3.24 0.44 0.00 -1.23 -2.59 105.19 109.55 2auy n GLY 87 Ca -0.03 -1.79 -0.20 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 -1.72 1.39 -0.06 -0.61 2.07 -0.93 -3.18 121.20 118.16 2auy s ILE 88 Ca 0.00 -1.59 -0.07 0.00 -1.41 0.00 0.00 60.65 57.59 2auy s ILE 88 Cb 0.00 -1.44 0.02 0.00 0.13 0.00 0.00 42.46 41.17 2auy s ILE 88 CO 0.00 -0.28 0.18 0.00 -1.91 0.00 0.00 174.94 172.92 2auy s ALA 89 N -1.70 -0.44 -0.06 1.50 0.00 0.45 -0.67 121.76 120.85 2auy s ALA 89 Ca 0.06 0.42 -0.17 0.00 0.00 0.00 0.00 51.96 52.27 2auy s ALA 89 Cb -0.07 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 2auy s ALA 89 CO 0.03 -0.10 0.47 0.12 0.00 0.00 0.00 175.76 176.28 2auy s PHE 90 N -0.11 3.61 0.08 0.00 5.36 -0.32 -1.01 117.98 125.59 2auy s PHE 90 Ca -0.02 0.96 -0.03 0.00 -0.96 0.00 0.00 56.93 56.89 2auy s PHE 90 Cb -0.02 -2.48 -0.03 0.00 -0.34 0.00 0.00 43.02 40.15 2auy s PHE 90 CO 0.00 0.35 0.04 -0.59 -1.46 0.00 0.00 175.22 173.56 2auy s PHE 91 N -0.04 0.53 -0.07 10.12 -0.71 -0.12 -0.60 117.98 127.09 2auy s PHE 91 Ca 0.26 -1.01 0.02 0.00 -1.04 0.00 0.00 56.93 55.16 2auy s PHE 91 Cb -0.16 -0.34 0.01 0.00 -1.21 0.00 0.00 43.02 41.33 2auy s PHE 91 CO 0.12 -0.46 -0.12 0.42 -1.34 0.00 0.00 175.22 173.85 2auy s ILE 92 N -3.94 1.14 0.26 -4.49 1.01 -0.32 -1.65 121.20 113.21 2auy s ILE 92 Ca 0.11 -0.47 -0.13 0.00 0.00 0.00 0.00 60.65 60.16 2auy s ILE 92 Cb 0.07 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.48 2auy s ILE 92 CO -0.07 0.36 0.51 0.00 0.00 0.00 0.00 174.94 175.74 2auy s ALA 93 N 0.80 -0.29 0.70 9.38 0.00 -0.82 -2.22 121.76 129.31 2auy s ALA 93 Ca -0.12 -0.86 -0.16 0.00 0.00 0.00 0.00 51.96 50.82 2auy s ALA 93 Cb -0.15 1.04 -0.00 0.00 0.00 0.00 0.00 23.12 24.00 2auy s ALA 93 CO 0.02 -0.87 0.97 -2.30 0.00 0.00 0.00 175.76 173.58 2auy n PRO 94 N -0.40 0.59 -0.16 0.00 -0.02 -1.26 -1.05 135.00 132.69 2auy n PRO 94 Ca -0.02 0.25 0.18 0.00 -2.02 0.00 0.00 63.50 61.89 2auy n PRO 94 Cb 0.62 -2.21 0.55 0.00 -0.02 0.00 0.00 33.50 32.43 2auy n PRO 94 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2auy h PRO 95 N -0.10 0.32 -0.37 0.52 0.11 -1.86 -2.38 132.00 128.24 2auy h PRO 95 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 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 0.48 0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 2auy n ASP 96 N -4.46 1.96 -4.66 -2.05 3.85 -1.26 -4.88 116.55 105.05 2auy n ASP 96 Ca 0.15 -2.01 -0.42 0.00 -0.71 0.00 0.00 54.79 51.79 2auy n ASP 96 Cb 0.60 -0.25 -0.00 0.00 -1.35 0.00 0.00 41.12 40.12 2auy n ASP 96 CO 0.00 0.00 0.00 1.07 -1.01 0.00 0.00 177.20 177.26 2auy n THR 97 N 0.55 2.17 -4.14 2.12 5.66 -0.90 -5.02 114.28 114.73 2auy n THR 97 Ca 0.12 -0.50 -0.09 0.00 -3.05 0.00 0.00 64.05 60.53 2auy n THR 97 Cb 0.31 -1.37 -0.10 0.00 -1.55 0.00 0.00 70.33 67.63 2auy n THR 97 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2auy s THR 98 N -1.14 0.12 -0.08 1.09 -4.23 -1.26 -5.09 115.64 105.05 2auy s THR 98 Ca 0.58 -1.90 -0.29 0.00 -1.18 0.00 0.00 61.69 58.90 2auy s THR 98 Cb -0.59 -1.97 -0.06 0.00 1.34 0.00 0.00 72.50 71.22 2auy s THR 98 CO 0.60 -0.54 1.88 -0.63 -0.54 0.00 0.00 174.62 175.39 2auy s ILE 99 N -4.03 3.27 0.55 2.99 1.01 -1.26 -4.95 121.20 118.78 2auy s ILE 99 Ca 0.22 0.31 -0.21 0.00 0.00 0.00 0.00 60.65 60.98 2auy s ILE 99 Cb 0.08 -3.24 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 2auy s ILE 99 CO 0.00 -0.07 1.25 -2.84 0.00 0.00 0.00 174.94 173.28 2auy s PRO 100 N 4.76 3.18 0.12 2.79 0.02 -1.26 -4.92 135.00 139.69 2auy s PRO 100 Ca 0.84 1.94 -0.31 0.00 0.02 0.00 0.00 61.00 63.50 2auy s PRO 100 Cb -0.35 -2.13 -0.10 0.00 0.02 0.00 0.00 34.50 31.94 2auy s PRO 100 CO 0.35 -1.07 1.68 0.45 -0.33 0.00 0.00 177.00 178.09 2auy s SER 101 N -1.35 6.53 -0.84 2.53 0.15 -1.26 -2.45 113.70 117.02 2auy s SER 101 Ca 0.73 2.62 0.00 0.00 0.70 0.00 0.00 55.95 60.00 2auy s SER 101 Cb -0.33 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.40 2auy s SER 101 CO 0.38 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.52 2auy n GLY 102 N 4.00 0.10 1.21 9.45 0.00 -1.26 -4.39 105.19 114.30 2auy n GLY 102 Ca 0.16 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.73 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 0.21 3.49 -2.60 1.61 3.41 -1.03 -4.28 113.62 114.44 2auy n SER 103 Ca -0.11 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.12 2auy n SER 103 Cb 0.56 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 0.71 -2.00 7.00 5.00 0.00 -1.26 0.61 105.19 115.25 2auy n GLY 104 Ca 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 3.18 2.86 0.00 -0.02 0.00 -1.26 -2.07 105.19 107.87 2auy n GLY 105 Ca 0.00 -0.23 0.03 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 -0.62 0.33 -0.02 0.00 -1.26 -1.85 105.19 101.77 2auy n GLY 106 Ca 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.38 1.03 -1.00 0.99 4.77 -0.88 -4.92 117.00 115.62 2auy n LEU 107 Ca 0.03 -0.36 -0.08 0.00 -0.03 0.00 0.00 56.01 55.56 2auy n LEU 107 Cb 0.07 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2auy n LEU 107 CO 0.06 0.18 -0.08 0.18 -1.33 0.00 0.00 177.39 176.40 2auy n LEU 108 N -0.18 -0.47 -0.13 2.23 4.77 -0.77 -0.99 117.00 121.47 2auy n LEU 108 Ca 0.20 0.20 -0.02 0.00 -0.03 0.00 0.00 56.01 56.36 2auy n LEU 108 Cb 0.27 -1.66 -0.01 0.00 -2.33 0.00 0.00 43.42 39.69 2auy n LEU 108 CO 0.16 -0.54 -0.02 0.61 -1.33 0.00 0.00 177.39 176.27 2auy n GLY 109 N -0.03 0.53 0.03 -0.72 0.00 0.20 -3.74 105.19 101.47 2auy n GLY 109 Ca -0.08 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.19 0.00 -4.27 0.99 4.77 -0.16 -4.48 117.00 113.67 2auy n LEU 110 Ca -0.02 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.79 2auy n LEU 110 Cb 0.09 0.16 -0.11 0.00 -2.33 0.00 0.00 43.42 41.24 2auy n LEU 110 CO 0.03 0.16 -0.44 -0.36 -1.33 0.00 0.00 177.39 175.44 2auy s PHE 111 N -2.42 1.46 0.11 -1.77 0.40 -1.19 -4.85 117.98 109.73 2auy s PHE 111 Ca -0.05 -0.58 -0.16 0.00 -0.60 0.00 0.00 56.93 55.54 2auy s PHE 111 Cb 0.04 -0.74 -0.07 0.00 0.51 0.00 0.00 43.02 42.76 2auy s PHE 111 CO 0.43 0.18 0.55 0.00 0.70 0.00 0.00 175.22 177.08 2auy s ALA 112 N -2.44 3.58 0.21 5.36 0.00 -1.26 -4.07 121.76 123.15 2auy s ALA 112 Ca 0.13 -0.06 -0.11 0.00 0.00 0.00 0.00 51.96 51.91 2auy s ALA 112 Cb -0.03 -2.57 0.28 0.00 0.00 0.00 0.00 23.12 20.80 2auy s ALA 112 CO 0.04 0.43 1.66 -1.35 0.00 0.00 0.00 175.76 176.54 2auy h PRO 113 N 3.99 0.11 0.00 0.00 0.11 -1.77 -0.61 132.00 133.82 2auy h PRO 113 Ca -0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2auy h PRO 113 Cb 1.20 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2auy h PRO 113 CO 0.65 0.07 -0.06 0.78 -0.21 0.00 0.00 178.00 179.23 2auy h GLY 114 N 0.11 0.00 -0.40 -0.55 0.00 -1.94 -3.23 103.07 97.06 2auy h GLY 114 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2auy h GLY 114 CO -0.53 0.00 -0.20 -1.30 0.00 0.00 0.00 176.54 174.51 2auy n THR 115 N -3.42 0.94 -0.14 4.70 -2.24 -0.87 -4.85 114.28 108.41 2auy n THR 115 Ca -0.02 -1.11 0.21 0.00 -2.27 0.00 0.00 64.05 60.86 2auy n THR 115 Cb 0.19 0.20 0.62 0.00 -2.10 0.00 0.00 70.33 69.25 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 2.46 -0.23 6.98 0.00 -1.15 -2.09 119.26 125.23 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 1.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2auy h ALA 116 CO 0.00 -0.68 0.00 1.04 0.00 0.00 0.00 179.25 179.61 2auy n GLN 117 N -4.40 2.73 -3.20 0.00 6.02 -1.26 -1.48 117.38 115.80 2auy n GLN 117 Ca 0.15 -2.28 -0.45 0.00 -0.01 0.00 0.00 57.00 54.40 2auy n GLN 117 Cb 0.71 -1.44 -0.04 0.00 1.02 0.00 0.00 30.24 30.48 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 -1.52 6.24 0.63 1.08 3.84 -0.79 -4.93 114.94 119.50 2auy s ASN 118 Ca 0.27 -1.70 0.37 0.00 0.21 0.00 0.00 52.86 52.01 2auy s ASN 118 Cb 0.19 -2.26 2.10 0.00 -0.55 0.00 0.00 41.25 40.73 2auy s ASN 118 CO 0.10 -0.97 2.31 0.71 -2.79 0.00 0.00 177.10 176.45 2auy h THR 119 N 5.82 0.28 -0.01 -5.21 1.35 -1.86 -1.58 112.91 111.71 2auy h THR 119 Ca -0.25 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 2auy h THR 119 Cb 1.09 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2auy h THR 119 CO 1.05 0.00 -0.12 -1.54 -0.25 0.00 0.00 175.52 174.66 2auy n SER 120 N -3.49 0.96 -0.56 5.36 3.41 -1.26 -3.74 113.62 114.29 2auy n SER 120 Ca -0.03 -1.02 0.08 0.00 -0.26 0.00 0.00 58.87 57.64 2auy n SER 120 Cb 0.08 0.03 0.05 0.00 -0.26 0.00 0.00 64.21 64.11 2auy n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2auy n ALA 121 N -0.48 2.60 -2.40 7.33 0.00 -0.60 -5.01 120.51 121.95 2auy n ALA 121 Ca 0.16 -0.60 -0.21 0.00 0.00 0.00 0.00 53.44 52.79 2auy n ALA 121 Cb 0.31 -0.52 -0.10 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.39 2.89 -0.38 0.00 0.01 -1.23 -5.09 114.94 109.76 2auy s ASN 122 Ca 0.17 -1.07 0.02 0.00 -0.71 0.00 0.00 52.86 51.27 2auy s ASN 122 Cb 0.13 -0.19 0.15 0.00 0.41 0.00 0.00 41.25 41.75 2auy s ASN 122 CO 0.23 -0.16 0.28 -1.10 -1.51 0.00 0.00 177.10 174.84 2auy s GLN 123 N -3.63 0.70 -0.24 -0.60 -0.21 -1.26 -4.83 119.66 109.59 2auy s GLN 123 Ca 0.26 -1.59 -0.26 0.00 0.02 0.00 0.00 55.36 53.79 2auy s GLN 123 Cb -0.01 -1.27 0.10 0.00 1.00 0.00 0.00 33.01 32.84 2auy s GLN 123 CO 0.10 -1.28 0.91 0.54 -2.12 0.00 0.00 175.29 173.44 2auy s VAL 124 N 0.71 0.00 -0.09 1.09 0.11 -1.26 -4.25 120.40 116.70 2auy s VAL 124 Ca 0.24 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.32 2auy s VAL 124 Cb -0.12 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.74 2auy s VAL 124 CO -0.07 0.00 -0.19 -0.63 -3.33 0.00 0.00 175.10 170.88 2auy s ILE 125 N -0.10 1.70 0.02 7.04 1.01 -0.94 -0.72 121.20 129.21 2auy s ILE 125 Ca 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 2auy s ILE 125 Cb -0.04 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 2auy s ILE 125 CO -0.01 0.48 0.09 0.00 0.00 0.00 0.00 174.94 175.50 2auy s ALA 126 N 0.55 -0.14 -0.29 9.38 0.00 0.40 -1.18 121.76 130.48 2auy s ALA 126 Ca -0.15 -0.38 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 2auy s ALA 126 Cb -0.17 0.17 0.04 0.00 0.00 0.00 0.00 23.12 23.17 2auy s ALA 126 CO 0.05 -0.24 -0.01 0.08 0.00 0.00 0.00 175.76 175.64 2auy s VAL 127 N -1.89 2.98 0.05 0.00 1.01 0.23 0.09 120.40 122.88 2auy s VAL 127 Ca -0.11 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 60.61 2auy s VAL 127 Cb -0.05 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2auy s VAL 127 CO -0.01 -0.02 0.14 -1.83 0.00 0.00 0.00 175.10 173.37 2auy s GLU 128 N 1.28 3.16 -0.43 2.72 -1.05 -0.07 -1.17 118.70 123.14 2auy s GLU 128 Ca -0.04 -0.54 0.03 0.00 -0.15 0.00 0.00 54.97 54.27 2auy s GLU 128 Cb -0.19 -2.89 0.12 0.00 -0.44 0.00 0.00 34.13 30.73 2auy s GLU 128 CO -0.02 0.60 0.17 -0.06 0.95 0.00 0.00 175.26 176.91 2auy s PHE 129 N -1.40 2.99 -0.29 4.83 0.40 0.15 -1.09 117.98 123.57 2auy s PHE 129 Ca 0.30 -2.84 -0.15 0.00 -0.60 0.00 0.00 56.93 53.65 2auy s PHE 129 Cb -0.12 -2.57 -0.03 0.00 0.51 0.00 0.00 43.02 40.80 2auy s PHE 129 CO 0.23 -0.83 0.38 0.34 0.70 0.00 0.00 175.22 176.04 2auy s ASP 130 N 0.40 6.24 0.00 1.36 -1.08 -0.12 -2.20 116.67 121.26 2auy s ASP 130 Ca 0.14 0.17 0.16 0.00 -0.52 0.00 0.00 52.55 52.51 2auy s ASP 130 Cb -0.23 -2.21 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 2auy s ASP 130 CO -0.05 -0.23 0.87 0.35 0.52 0.00 0.00 175.17 176.63 2auy n THR 131 N 5.16 0.00 -4.35 1.71 -2.24 -1.07 -1.60 114.28 111.89 2auy n THR 131 Ca -0.08 -0.34 -0.27 0.00 -2.27 0.00 0.00 64.05 61.09 2auy n THR 131 Cb 0.50 1.20 -0.17 0.00 -2.10 0.00 0.00 70.33 69.77 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 -1.87 1.65 -0.03 4.78 5.36 -1.25 -4.81 117.98 121.80 2auy s PHE 132 Ca 0.14 -0.73 0.05 0.00 -0.96 0.00 0.00 56.93 55.42 2auy s PHE 132 Cb 0.13 -1.24 0.07 0.00 -0.34 0.00 0.00 43.02 41.64 2auy s PHE 132 CO 0.39 -0.41 0.98 2.48 -1.46 0.00 0.00 175.22 177.20 2auy n TYR 133 N 4.26 0.00 -1.66 10.12 4.11 -1.26 -4.96 117.16 127.77 2auy n TYR 133 Ca -0.19 -0.28 -0.51 0.00 -0.00 0.00 0.00 57.90 56.92 2auy n TYR 133 Cb 0.51 -0.07 -0.06 0.00 -0.00 0.00 0.00 39.34 39.73 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 -0.38 0.17 0.30 -3.48 0.00 -1.26 -4.74 120.51 111.12 2auy n ALA 134 Ca 0.04 0.41 0.09 0.00 0.00 0.00 0.00 53.44 53.98 2auy n ALA 134 Cb 0.64 -2.27 0.41 0.00 0.00 0.00 0.00 19.45 18.23 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 4.40 0.11 0.04 0.00 1.13 -1.26 -0.55 117.38 121.25 2auy n GLN 135 Ca 0.21 0.46 -0.10 0.00 -1.94 0.00 0.00 57.00 55.63 2auy n GLN 135 Cb 0.22 -1.77 0.04 0.00 0.11 0.00 0.00 30.24 28.84 2auy n GLN 135 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 2auy h ASP 136 N 0.00 0.52 0.00 1.08 2.03 -1.99 -3.35 116.42 114.71 2auy h ASP 136 Ca 0.00 -0.32 -0.13 0.00 -0.73 0.00 0.00 57.03 55.85 2auy h ASP 136 Cb 0.20 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 38.52 2auy h ASP 136 CO 0.00 1.05 -1.48 -1.54 -1.03 0.00 0.00 179.24 176.24 2auy n SER 137 N -3.87 3.34 -3.62 4.15 3.41 -1.08 -4.76 113.62 111.18 2auy n SER 137 Ca -0.04 -0.03 -0.38 0.00 -0.26 0.00 0.00 58.87 58.17 2auy n SER 137 Cb 0.68 0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 64.84 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 -2.53 6.12 0.32 4.04 5.03 0.28 -4.85 115.26 123.67 2auy n ASN 138 Ca -0.13 -3.57 0.19 0.00 0.87 0.00 0.00 54.58 51.94 2auy n ASN 138 Cb 0.69 -1.04 1.07 0.00 -1.02 0.00 0.00 39.78 39.47 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 2.87 0.22 0.00 3.41 1.35 -1.76 -2.33 112.91 116.68 2auy h THR 139 Ca 0.31 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 2auy h THR 139 Cb 0.49 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 2auy h THR 139 CO 1.13 0.01 -0.23 -2.67 -0.25 0.00 0.00 175.52 173.51 2auy n TRP 140 N -3.39 0.53 -3.10 4.73 2.14 -1.26 -4.93 117.44 112.16 2auy n TRP 140 Ca -0.03 0.15 -0.33 0.00 2.07 0.00 0.00 57.50 59.37 2auy n TRP 140 Cb 0.09 -0.69 -0.06 0.00 -0.81 0.00 0.00 31.31 29.84 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 -3.95 6.82 0.80 -0.67 1.01 -0.88 -4.77 116.67 115.04 2auy s ASP 141 Ca 0.10 1.34 -0.11 0.00 0.71 0.00 0.00 52.55 54.59 2auy s ASP 141 Cb 0.15 -2.40 0.07 0.00 1.01 0.00 0.00 42.92 41.75 2auy s ASP 141 CO 0.63 -0.20 1.09 -2.16 0.21 0.00 0.00 175.17 174.74 2auy s PRO 142 N -2.90 2.04 -0.42 8.23 0.04 -1.26 -4.88 135.00 135.85 2auy s PRO 142 Ca 0.54 1.00 -0.06 0.00 0.04 0.00 0.00 61.00 62.52 2auy s PRO 142 Cb -0.11 -1.88 -0.16 0.00 0.04 0.00 0.00 34.50 32.39 2auy s PRO 142 CO 0.17 -1.75 3.30 -1.71 0.04 0.00 0.00 177.00 177.05 2auy n ASN 143 N -3.57 6.20 -3.59 6.66 5.15 -1.26 -4.82 115.26 120.03 2auy n ASN 143 Ca 0.08 -2.66 -0.04 0.00 -0.60 0.00 0.00 54.58 51.35 2auy n ASN 143 Cb 0.54 -1.41 -0.02 0.00 -0.53 0.00 0.00 39.78 38.37 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 0.57 -0.15 0.51 1.20 -0.85 -1.26 -5.09 117.35 112.28 2auy s TYR 144 Ca 0.65 0.08 -0.23 0.00 -0.52 0.00 0.00 57.07 57.05 2auy s TYR 144 Cb 0.30 0.52 -0.06 0.00 0.38 0.00 0.00 41.96 43.10 2auy s TYR 144 CO -0.06 -0.26 1.38 -2.14 -1.52 0.00 0.00 175.55 172.95 2auy s PRO 145 N -2.52 3.37 0.24 -3.49 0.02 -1.26 -4.86 135.00 126.49 2auy s PRO 145 Ca 0.09 2.29 -0.22 0.00 0.02 0.00 0.00 61.00 63.18 2auy s PRO 145 Cb -0.01 -2.42 0.04 0.00 0.02 0.00 0.00 34.50 32.14 2auy s PRO 145 CO -0.05 -1.03 0.70 -3.38 -0.33 0.00 0.00 177.00 172.91 2auy s HIS 146 N -1.27 -0.29 -0.11 6.54 -3.43 -0.63 -1.47 115.29 114.64 2auy s HIS 146 Ca 0.67 -0.10 -0.00 0.00 -0.80 0.00 0.00 55.06 54.83 2auy s HIS 146 Cb -0.41 0.66 -0.02 0.00 -1.43 0.00 0.00 32.58 31.38 2auy s HIS 146 CO 0.51 -1.11 -0.10 0.42 -2.00 0.00 0.00 174.74 172.46 2auy s ILE 147 N -3.84 3.41 0.06 -5.38 1.01 -0.57 -0.95 121.20 114.95 2auy s ILE 147 Ca 0.08 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 60.18 2auy s ILE 147 Cb -0.04 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 2auy s ILE 147 CO 0.01 0.55 -0.04 -0.83 0.00 0.00 0.00 174.94 174.62 2auy s GLY 148 N -0.09 0.54 -0.24 6.18 0.00 -0.25 -1.32 107.32 112.13 2auy s GLY 148 Ca -0.00 -1.18 -0.06 0.00 0.00 0.00 0.00 44.72 43.48 2auy s GLY 148 CO 0.03 -1.28 0.03 -0.42 0.00 0.00 0.00 173.10 171.46 2auy s ILE 149 N -3.51 3.94 -0.20 0.90 1.01 -0.18 -0.89 121.20 122.26 2auy s ILE 149 Ca 0.06 -0.32 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 2auy s ILE 149 Cb 0.05 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 2auy s ILE 149 CO -0.07 0.36 0.00 -1.81 0.00 0.00 0.00 174.94 173.41 2auy s ASP 150 N 1.56 4.85 -0.31 3.58 -0.00 0.11 -1.07 116.67 125.39 2auy s ASP 150 Ca 0.06 -0.20 0.03 0.00 -0.00 0.00 0.00 52.55 52.44 2auy s ASP 150 Cb -0.15 -1.83 0.09 0.00 -0.00 0.00 0.00 42.92 41.03 2auy s ASP 150 CO 0.01 0.07 0.02 -0.69 -0.00 0.00 0.00 175.17 174.57 2auy s VAL 151 N 0.99 1.94 -1.60 -1.27 1.01 -1.26 -0.45 120.40 119.76 2auy s VAL 151 Ca 0.02 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.07 2auy s VAL 151 Cb -0.14 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.90 2auy s VAL 151 CO 0.02 -0.45 0.00 0.59 0.00 0.00 0.00 175.10 175.26 2auy n ASN 152 N 4.43 -5.00 -3.54 3.32 3.02 0.11 -4.93 115.26 112.66 2auy n ASN 152 Ca -0.02 0.37 -0.17 0.00 -0.03 0.00 0.00 54.58 54.73 2auy n ASN 152 Cb 0.42 -4.16 -0.06 0.00 -0.61 0.00 0.00 39.78 35.37 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 -2.43 -0.65 0.29 6.41 0.15 -1.26 -3.75 113.70 112.46 2auy s SER 153 Ca 0.00 0.80 0.26 0.00 0.70 0.00 0.00 55.95 57.70 2auy s SER 153 Cb 0.00 0.66 0.90 0.00 -1.71 0.00 0.00 66.02 65.87 2auy s SER 153 CO 0.00 -0.55 1.76 -0.29 1.20 0.00 0.00 173.24 175.36 2auy h ILE 154 N 3.17 0.00 -2.65 6.45 6.09 -1.62 -3.39 117.51 125.56 2auy h ILE 154 Ca -0.27 -0.44 -0.63 0.00 -1.37 0.00 0.00 64.86 62.15 2auy h ILE 154 Cb 1.14 1.33 -0.15 0.00 0.47 0.00 0.00 36.82 39.62 2auy h ILE 154 CO 0.34 0.00 0.55 -0.60 -3.07 0.00 0.00 178.15 175.37 2auy s ARG 155 N -3.27 3.12 0.32 2.19 3.52 -1.26 -4.92 118.95 118.65 2auy s ARG 155 Ca 0.07 -0.86 -0.27 0.00 -0.13 0.00 0.00 55.73 54.54 2auy s ARG 155 Cb 0.10 -4.24 -0.13 0.00 -1.56 0.00 0.00 34.95 29.11 2auy s ARG 155 CO 0.52 -1.82 0.96 0.43 -0.81 0.00 0.00 175.30 174.58 2auy n SER 156 N 7.68 1.06 0.19 -2.12 7.64 -1.26 -4.80 113.62 122.01 2auy n SER 156 Ca -0.03 1.13 0.12 0.00 1.01 0.00 0.00 58.87 61.10 2auy n SER 156 Cb 0.45 -1.28 0.22 0.00 -1.01 0.00 0.00 64.21 62.59 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 1.80 0.00 -2.30 0.44 -1.51 -1.45 -3.45 116.25 109.77 2auy h VAL 157 Ca -0.40 -0.88 -0.06 0.00 -1.23 0.00 0.00 66.70 64.12 2auy h VAL 157 Cb 1.35 1.87 -0.23 0.00 -2.13 0.00 0.00 31.29 32.15 2auy h VAL 157 CO 0.59 0.00 -0.05 -0.75 -1.23 0.00 0.00 177.57 176.13 2auy s LYS 158 N -3.19 0.65 0.15 5.19 2.47 -1.24 -5.02 119.74 118.76 2auy s LYS 158 Ca 0.08 0.89 -0.00 0.00 -1.56 0.00 0.00 55.97 55.37 2auy s LYS 158 Cb 0.07 0.25 -0.04 0.00 -1.46 0.00 0.00 37.83 36.65 2auy s LYS 158 CO 0.66 -0.11 0.05 0.95 0.16 0.00 0.00 175.35 177.06 2auy s THR 159 N 0.71 0.23 -0.06 3.43 -4.23 -1.26 -1.01 115.64 113.45 2auy s THR 159 Ca -0.03 -1.93 -0.04 0.00 -1.18 0.00 0.00 61.69 58.50 2auy s THR 159 Cb -0.05 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.70 2auy s THR 159 CO -0.05 -0.42 0.15 0.54 -0.54 0.00 0.00 174.62 174.30 2auy s VAL 160 N -3.96 -0.01 0.37 2.29 0.11 -0.43 -4.98 120.40 113.78 2auy s VAL 160 Ca 0.26 0.05 -0.28 0.00 -2.93 0.00 0.00 61.98 59.07 2auy s VAL 160 Cb 0.07 -0.22 -0.11 0.00 -1.53 0.00 0.00 36.38 34.59 2auy s VAL 160 CO 0.03 0.02 1.52 -0.75 -3.33 0.00 0.00 175.10 172.59 2auy s LYS 161 N 0.40 4.09 0.11 1.54 2.20 -1.26 -1.51 119.74 125.31 2auy s LYS 161 Ca -0.03 2.60 0.03 0.00 -0.36 0.00 0.00 55.97 58.21 2auy s LYS 161 Cb -0.04 -2.97 -0.04 0.00 -1.51 0.00 0.00 37.83 33.27 2auy s LYS 161 CO -0.02 -0.58 -0.08 -0.46 -0.36 0.00 0.00 175.35 173.86 2auy s TRP 162 N -0.92 1.01 -0.18 4.03 -0.00 -0.54 -4.79 118.94 117.55 2auy s TRP 162 Ca 0.55 -0.82 -0.01 0.00 -0.00 0.00 0.00 56.10 55.82 2auy s TRP 162 Cb -0.47 -0.55 0.00 0.00 -0.00 0.00 0.00 33.47 32.45 2auy s TRP 162 CO 0.61 -0.06 -0.13 -0.51 -0.00 0.00 0.00 176.95 176.86 2auy s ASP 163 N -2.93 3.72 -0.02 5.86 1.01 -1.26 -4.41 116.67 118.64 2auy s ASP 163 Ca 0.11 -0.49 -0.27 0.00 0.71 0.00 0.00 52.55 52.61 2auy s ASP 163 Cb 0.03 -1.59 -0.03 0.00 1.01 0.00 0.00 42.92 42.33 2auy s ASP 163 CO -0.02 0.04 0.86 -0.60 0.21 0.00 0.00 175.17 175.65 2auy s ARG 164 N 1.12 4.51 -0.24 8.23 3.52 -1.26 -5.03 118.95 129.80 2auy s ARG 164 Ca 0.00 1.19 0.01 0.00 -0.13 0.00 0.00 55.73 56.81 2auy s ARG 164 Cb -0.14 -3.45 0.06 0.00 -1.56 0.00 0.00 34.95 29.86 2auy s ARG 164 CO -0.04 0.01 -0.05 1.03 -0.81 0.00 0.00 175.30 175.45 2auy s ARG 165 N 0.86 1.61 0.11 5.12 0.52 -1.26 -5.10 118.95 120.81 2auy s ARG 165 Ca 0.46 -1.05 -0.35 0.00 -0.52 0.00 0.00 55.73 54.27 2auy s ARG 165 Cb -0.20 -2.61 -0.14 0.00 0.52 0.00 0.00 34.95 32.52 2auy s ARG 165 CO 0.24 -0.63 1.55 -3.47 0.02 0.00 0.00 175.30 173.01 2auy n ASP 166 N 4.65 2.75 0.00 0.23 2.03 -1.26 -2.05 116.55 122.90 2auy n ASP 166 Ca -0.11 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.28 2auy n ASP 166 Cb 0.44 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 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 3.31 0.54 3.74 0.27 0.00 0.20 -4.99 105.19 108.25 2auy n GLY 167 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.47 3.96 0.18 1.61 -0.21 -0.87 -4.89 119.66 118.98 2auy s GLN 168 Ca 0.00 -0.23 -0.30 0.00 0.02 0.00 0.00 55.36 54.84 2auy s GLN 168 Cb 0.00 -3.31 -0.08 0.00 1.00 0.00 0.00 33.01 30.62 2auy s GLN 168 CO 0.00 0.40 1.22 -1.12 -2.12 0.00 0.00 175.29 173.68 2auy s SER 169 N 0.04 7.04 -0.18 5.90 0.01 -1.26 -4.46 113.70 120.79 2auy s SER 169 Ca 0.08 2.26 -0.04 0.00 1.31 0.00 0.00 55.95 59.56 2auy s SER 169 Cb -0.11 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.48 2auy s SER 169 CO -0.00 -0.41 -0.02 -0.22 0.41 0.00 0.00 173.24 173.00 2auy s LEU 170 N -0.15 3.24 -0.19 2.44 2.96 -0.05 -4.39 118.68 122.54 2auy s LEU 170 Ca 0.54 -0.18 -0.15 0.00 -0.22 0.00 0.00 54.13 54.12 2auy s LEU 170 Cb -0.33 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 2auy s LEU 170 CO 0.37 0.11 0.37 0.20 -1.32 0.00 0.00 176.35 176.07 2auy s ASN 171 N 0.75 6.44 -0.01 3.68 0.01 -0.39 -2.38 114.94 123.04 2auy s ASN 171 Ca -0.01 0.52 0.06 0.00 -0.71 0.00 0.00 52.86 52.72 2auy s ASN 171 Cb -0.14 -2.22 -0.01 0.00 0.41 0.00 0.00 41.25 39.28 2auy s ASN 171 CO 0.02 -0.02 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.71 2auy s VAL 172 N 1.03 1.47 -0.14 1.60 1.01 0.78 -0.72 120.40 125.43 2auy s VAL 172 Ca 0.18 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2auy s VAL 172 Cb -0.14 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.04 2auy s VAL 172 CO 0.07 0.40 -0.10 -0.22 0.00 0.00 0.00 175.10 175.25 2auy s LEU 173 N -0.47 1.56 -0.16 3.92 2.96 0.49 -1.56 118.68 125.43 2auy s LEU 173 Ca 0.07 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 53.49 2auy s LEU 173 Cb -0.07 -1.03 -0.01 0.00 0.50 0.00 0.00 46.19 45.58 2auy s LEU 173 CO -0.01 -0.11 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.10 2auy s VAL 174 N 1.58 2.87 -0.02 1.68 1.01 0.32 -1.33 120.40 126.51 2auy s VAL 174 Ca 0.04 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.35 2auy s VAL 174 Cb -0.13 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 2auy s VAL 174 CO -0.09 0.51 -0.11 -0.89 0.00 0.00 0.00 175.10 174.52 2auy s THR 175 N 0.77 0.88 -0.15 3.92 2.01 -0.09 -0.20 115.64 122.78 2auy s THR 175 Ca -0.05 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.52 2auy s THR 175 Cb -0.15 -0.75 0.02 0.00 0.01 0.00 0.00 72.50 71.62 2auy s THR 175 CO 0.01 0.26 -0.19 0.12 -0.69 0.00 0.00 174.62 174.13 2auy s PHE 176 N -0.07 2.48 -0.35 4.92 5.36 -0.17 -0.07 117.98 130.07 2auy s PHE 176 Ca 0.01 -1.34 -0.09 0.00 -0.96 0.00 0.00 56.93 54.55 2auy s PHE 176 Cb -0.06 -1.73 0.02 0.00 -0.34 0.00 0.00 43.02 40.91 2auy s PHE 176 CO 0.00 -0.66 0.16 1.21 -1.46 0.00 0.00 175.22 174.47 2auy s ASN 177 N 1.12 5.55 0.55 6.13 3.84 -0.77 -2.36 114.94 129.01 2auy s ASN 177 Ca -0.01 -0.95 0.32 0.00 0.21 0.00 0.00 52.86 52.43 2auy s ASN 177 Cb -0.14 -1.97 1.59 0.00 -0.55 0.00 0.00 41.25 40.18 2auy s ASN 177 CO -0.07 -0.33 2.10 1.55 -2.79 0.00 0.00 177.10 177.56 2auy h PRO 178 N 8.36 0.00 -0.28 0.43 0.13 -1.89 0.92 132.00 139.66 2auy h PRO 178 Ca -0.26 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.76 2auy h PRO 178 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2auy h PRO 178 CO 0.64 0.08 -0.24 1.03 -0.23 0.00 0.00 178.00 179.28 2auy h SER 179 N 0.00 0.69 0.00 1.44 0.87 -1.95 -3.30 113.55 111.31 2auy h SER 179 Ca -0.00 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2auy h SER 179 Cb 0.32 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2auy h SER 179 CO 0.01 1.00 -1.44 0.35 -0.53 0.00 0.00 176.83 176.22 2auy n THR 180 N -4.32 0.00 -1.50 2.23 -2.24 -1.12 -4.96 114.28 102.37 2auy n THR 180 Ca -0.04 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.34 2auy n THR 180 Cb 0.44 0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.85 -0.86 -3.29 -0.78 1.74 0.32 -4.88 116.66 107.05 2auy n ARG 181 Ca -0.01 0.87 -0.38 0.00 -0.77 0.00 0.00 57.85 57.56 2auy n ARG 181 Cb 0.40 -4.91 -0.06 0.00 -1.02 0.00 0.00 32.46 26.88 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 -2.80 6.75 -0.37 0.55 0.01 -1.15 -0.66 114.94 117.28 2auy s ASN 182 Ca 0.00 0.90 -0.12 0.00 -0.71 0.00 0.00 52.86 52.93 2auy s ASN 182 Cb 0.00 -2.30 0.02 0.00 0.41 0.00 0.00 41.25 39.37 2auy s ASN 182 CO 0.00 0.02 0.22 -0.22 -1.51 0.00 0.00 177.10 175.61 2auy s LEU 183 N 0.43 4.66 -0.09 0.60 2.96 -0.01 -1.85 118.68 125.39 2auy s LEU 183 Ca 0.27 -0.83 -0.01 0.00 -0.22 0.00 0.00 54.13 53.33 2auy s LEU 183 Cb -0.16 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 2auy s LEU 183 CO 0.12 -0.35 -0.02 -1.81 -1.32 0.00 0.00 176.35 172.97 2auy s ASP 184 N 1.61 5.05 -0.09 3.68 1.01 0.90 -1.90 116.67 126.93 2auy s ASP 184 Ca 0.03 0.07 0.03 0.00 0.71 0.00 0.00 52.55 53.39 2auy s ASP 184 Cb -0.19 -1.43 0.01 0.00 1.01 0.00 0.00 42.92 42.32 2auy s ASP 184 CO 0.08 0.35 -0.16 -0.69 0.21 0.00 0.00 175.17 174.95 2auy s VAL 185 N -0.73 1.51 -0.10 -1.27 1.01 0.14 -0.91 120.40 120.06 2auy s VAL 185 Ca 0.11 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 2auy s VAL 185 Cb -0.11 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 34.94 2auy s VAL 185 CO 0.02 0.44 -0.06 -0.69 0.00 0.00 0.00 175.10 174.81 2auy s VAL 186 N 0.68 0.85 -0.03 2.92 1.01 -0.44 -1.99 120.40 123.40 2auy s VAL 186 Ca -0.13 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.71 2auy s VAL 186 Cb -0.16 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 2auy s VAL 186 CO 0.03 0.34 -0.17 0.00 0.00 0.00 0.00 175.10 175.30 2auy s ALA 187 N 1.72 1.48 -0.02 5.51 0.00 -0.37 -0.38 121.76 129.71 2auy s ALA 187 Ca 0.04 -0.72 -0.06 0.00 0.00 0.00 0.00 51.96 51.22 2auy s ALA 187 Cb -0.13 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.56 2auy s ALA 187 CO -0.07 0.32 0.12 0.95 0.00 0.00 0.00 175.76 177.08 2auy s THR 188 N -0.18 0.05 0.45 0.00 -4.23 0.10 -0.20 115.64 111.63 2auy s THR 188 Ca 0.01 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 2auy s THR 188 Cb -0.09 -0.32 -0.01 0.00 1.34 0.00 0.00 72.50 73.42 2auy s THR 188 CO 0.01 -0.24 0.67 -0.31 -0.54 0.00 0.00 174.62 174.20 2auy s TYR 189 N -0.82 3.24 0.64 3.99 1.51 -0.49 -1.26 117.35 124.16 2auy s TYR 189 Ca -0.09 0.25 0.38 0.00 -1.01 0.00 0.00 57.07 56.60 2auy s TYR 189 Cb -0.05 -2.30 2.14 0.00 -0.11 0.00 0.00 41.96 41.64 2auy s TYR 189 CO 0.01 -0.34 2.28 0.66 -1.11 0.00 0.00 175.55 177.05 2auy h SER 190 N 0.41 0.00 -0.04 2.29 4.64 -1.90 -0.84 113.55 118.10 2auy h SER 190 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2auy h SER 190 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2auy h SER 190 CO 0.58 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.64 2auy n ASP 191 N -3.32 0.70 0.00 4.97 5.75 -1.26 -4.90 116.55 118.50 2auy n ASP 191 Ca -0.02 -1.38 0.00 0.00 -0.01 0.00 0.00 54.79 53.37 2auy n ASP 191 Cb 0.13 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 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 1.01 0.54 3.68 6.12 0.00 -0.32 -5.04 105.19 111.18 2auy n GLY 192 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 2auy n GLY 192 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2auy n THR 193 N -2.00 0.33 -4.93 2.61 -1.04 -1.25 -4.77 114.28 103.22 2auy n THR 193 Ca 0.00 -0.06 -0.30 0.00 -2.04 0.00 0.00 64.05 61.65 2auy n THR 193 Cb 0.00 -1.94 -0.14 0.00 -1.82 0.00 0.00 70.33 66.42 2auy n THR 193 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2auy s ARG 194 N 2.61 1.92 -0.03 -2.82 3.52 -1.26 -1.40 118.95 121.49 2auy s ARG 194 Ca 0.83 -1.05 0.03 0.00 -0.13 0.00 0.00 55.73 55.42 2auy s ARG 194 Cb -0.57 -2.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.78 2auy s ARG 194 CO 0.40 0.53 -0.11 0.71 -0.81 0.00 0.00 175.30 176.02 2auy s TYR 195 N -0.79 1.14 0.00 5.12 1.51 0.72 -4.99 117.35 120.06 2auy s TYR 195 Ca 0.12 -0.30 0.02 0.00 -1.01 0.00 0.00 57.07 55.90 2auy s TYR 195 Cb -0.10 -0.80 -0.01 0.00 -0.11 0.00 0.00 41.96 40.94 2auy s TYR 195 CO 0.02 -0.12 -0.07 -1.21 -1.11 0.00 0.00 175.55 173.06 2auy s GLU 196 N 0.15 0.58 -0.18 -0.62 2.02 -1.26 -1.24 118.70 118.15 2auy s GLU 196 Ca -0.03 -0.33 -0.18 0.00 0.02 0.00 0.00 54.97 54.44 2auy s GLU 196 Cb -0.09 -0.54 0.05 0.00 0.10 0.00 0.00 34.13 33.65 2auy s GLU 196 CO 0.01 0.14 0.52 0.54 0.02 0.00 0.00 175.26 176.49 2auy s VAL 197 N -0.34 0.00 0.12 2.63 0.11 -0.84 -4.89 120.40 117.19 2auy s VAL 197 Ca 0.01 -0.02 -0.06 0.00 -2.93 0.00 0.00 61.98 58.98 2auy s VAL 197 Cb -0.04 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 34.07 2auy s VAL 197 CO -0.00 -0.01 0.16 -0.94 -3.33 0.00 0.00 175.10 170.98 2auy s SER 198 N 0.15 0.19 -0.20 3.54 1.04 -1.26 -0.68 113.70 116.48 2auy s SER 198 Ca -0.01 -0.88 -0.27 0.00 0.48 0.00 0.00 55.95 55.27 2auy s SER 198 Cb -0.04 0.34 0.07 0.00 0.10 0.00 0.00 66.02 66.50 2auy s SER 198 CO 0.01 -0.76 0.70 -0.47 0.98 0.00 0.00 173.24 173.70 2auy s TYR 199 N -3.94 -0.74 -0.15 5.02 6.14 -0.80 -4.98 117.35 117.89 2auy s TYR 199 Ca 0.13 1.66 -0.20 0.00 0.64 0.00 0.00 57.07 59.30 2auy s TYR 199 Cb 0.05 0.31 -0.03 0.00 0.42 0.00 0.00 41.96 42.71 2auy s TYR 199 CO -0.05 -0.45 0.58 -2.00 0.64 0.00 0.00 175.55 174.27 2auy s GLU 200 N -0.12 4.28 -0.13 4.97 2.12 -1.26 -0.83 118.70 127.73 2auy s GLU 200 Ca -0.03 0.57 -0.10 0.00 0.36 0.00 0.00 54.97 55.77 2auy s GLU 200 Cb -0.03 -3.51 0.04 0.00 0.26 0.00 0.00 34.13 30.88 2auy s GLU 200 CO 0.04 -0.06 0.33 0.54 -0.54 0.00 0.00 175.26 175.56 2auy s VAL 201 N 1.32 -0.01 -0.60 3.70 0.11 0.17 -4.99 120.40 120.10 2auy s VAL 201 Ca 0.28 0.04 -0.20 0.00 -2.93 0.00 0.00 61.98 59.18 2auy s VAL 201 Cb -0.16 -0.48 0.09 0.00 -1.53 0.00 0.00 36.38 34.30 2auy s VAL 201 CO 0.11 0.02 0.76 -0.62 -3.33 0.00 0.00 175.10 172.04 2auy s ASP 202 N 0.60 6.19 0.51 3.54 2.15 -1.26 -4.73 116.67 123.66 2auy s ASP 202 Ca -0.03 -1.24 0.19 0.00 0.43 0.00 0.00 52.55 51.89 2auy s ASP 202 Cb -0.05 -2.33 1.27 0.00 -0.30 0.00 0.00 42.92 41.51 2auy s ASP 202 CO -0.04 -1.16 2.07 -0.37 -0.17 0.00 0.00 175.17 175.50 2auy h VAL 203 N 5.93 0.90 -0.31 1.11 -1.51 -1.96 -2.42 116.25 117.99 2auy h VAL 203 Ca -0.29 -0.03 0.03 0.00 -1.23 0.00 0.00 66.70 65.19 2auy h VAL 203 Cb 1.08 0.82 -0.02 0.00 -2.13 0.00 0.00 31.29 31.05 2auy h VAL 203 CO 1.10 0.01 0.21 0.03 -1.23 0.00 0.00 177.57 177.69 2auy h ARG 204 N 0.07 0.29 -0.01 5.19 3.08 -1.91 -0.31 114.38 120.78 2auy h ARG 204 Ca 0.13 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2auy h ARG 204 Cb 0.41 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2auy h ARG 204 CO -0.01 0.19 -0.01 -1.13 -1.07 0.00 0.00 179.97 177.94 2auy n SER 205 N -4.49 1.28 -0.03 7.04 3.41 -0.91 -4.30 113.62 115.62 2auy n SER 205 Ca 0.03 -1.41 -0.04 0.00 -0.26 0.00 0.00 58.87 57.19 2auy n SER 205 Cb 0.16 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 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 -0.01 0.29 -4.43 -3.33 0.31 -0.61 -5.08 118.33 105.47 2auy n VAL 206 Ca 0.20 -0.11 -0.25 0.00 -0.01 0.00 0.00 64.34 64.16 2auy n VAL 206 Cb 0.32 -0.69 -0.11 0.00 -0.91 0.00 0.00 33.84 32.45 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 -5.31 2.49 1.10 7.52 1.43 -0.23 -4.62 118.68 121.07 2auy s LEU 207 Ca -0.07 -0.93 -0.17 0.00 -1.03 0.00 0.00 54.13 51.94 2auy s LEU 207 Cb 0.02 -1.11 0.24 0.00 0.03 0.00 0.00 46.19 45.37 2auy s LEU 207 CO 0.12 0.08 1.13 -2.16 0.23 0.00 0.00 176.35 175.75 2auy s PRO 208 N -2.99 -0.44 0.27 1.29 0.04 -1.26 -4.61 135.00 127.29 2auy s PRO 208 Ca 0.24 0.05 -0.03 0.00 0.04 0.00 0.00 61.00 61.29 2auy s PRO 208 Cb -0.07 -1.68 0.35 0.00 0.04 0.00 0.00 34.50 33.15 2auy s PRO 208 CO 0.11 -3.22 1.85 0.93 0.04 0.00 0.00 177.00 176.72 2auy h GLU 209 N -2.23 0.99 -6.07 4.56 5.08 -1.95 -3.42 114.58 111.54 2auy h GLU 209 Ca -0.48 -0.15 -0.68 0.00 -1.00 0.00 0.00 59.36 57.05 2auy h GLU 209 Cb 1.30 -0.17 -0.21 0.00 0.50 0.00 0.00 28.75 30.16 2auy h GLU 209 CO 0.43 0.80 -0.72 -1.58 -1.00 0.00 0.00 179.01 176.93 2auy s TRP 210 N -5.49 2.85 0.29 4.33 0.52 -1.26 -0.54 118.94 119.64 2auy s TRP 210 Ca -0.11 -0.12 0.01 0.00 0.02 0.00 0.00 56.10 55.90 2auy s TRP 210 Cb 0.16 -1.71 -0.02 0.00 -1.15 0.00 0.00 33.47 30.75 2auy s TRP 210 CO 0.81 0.21 0.30 0.14 0.02 0.00 0.00 176.95 178.43 2auy s VAL 211 N -0.60 0.00 0.12 4.03 -7.23 -0.21 -4.35 120.40 112.15 2auy s VAL 211 Ca 0.09 -1.85 0.08 0.00 -1.81 0.00 0.00 61.98 58.49 2auy s VAL 211 Cb -0.12 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2auy s VAL 211 CO 0.02 0.00 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.47 2auy s ARG 212 N -3.60 1.16 0.14 4.82 0.52 -0.22 -0.33 118.95 121.44 2auy s ARG 212 Ca 0.36 -1.22 0.11 0.00 -0.52 0.00 0.00 55.73 54.46 2auy s ARG 212 Cb 0.03 -1.39 -0.04 0.00 0.52 0.00 0.00 34.95 34.07 2auy s ARG 212 CO 0.20 0.31 -0.25 0.14 0.02 0.00 0.00 175.30 175.72 2auy s VAL 213 N -1.35 2.18 0.00 3.52 -7.23 -1.26 -1.94 120.40 114.32 2auy s VAL 213 Ca 0.09 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 2auy s VAL 213 Cb -0.09 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 34.89 2auy s VAL 213 CO 0.05 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 2auy n GLY 214 N 0.76 0.96 3.11 2.32 0.00 -0.66 -1.67 105.19 110.02 2auy n GLY 214 Ca -0.17 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.04 0.86 0.02 1.61 0.40 -0.49 -0.95 117.98 117.39 2auy s PHE 215 Ca 0.00 -0.58 0.00 0.00 -0.60 0.00 0.00 56.93 55.75 2auy s PHE 215 Cb 0.00 -0.49 -0.02 0.00 0.51 0.00 0.00 43.02 43.02 2auy s PHE 215 CO 0.00 -0.05 -0.03 0.45 0.70 0.00 0.00 175.22 176.29 2auy s SER 216 N -1.95 0.23 0.05 1.36 0.15 -0.18 -1.49 113.70 111.87 2auy s SER 216 Ca -0.03 -0.46 -0.19 0.00 0.70 0.00 0.00 55.95 55.97 2auy s SER 216 Cb -0.07 0.09 0.04 0.00 -1.71 0.00 0.00 66.02 64.37 2auy s SER 216 CO -0.00 -0.27 0.44 0.00 1.20 0.00 0.00 173.24 174.60 2auy s ALA 217 N -1.33 -1.08 0.13 5.45 0.00 -0.65 -0.41 121.76 123.87 2auy s ALA 217 Ca -0.14 0.36 -0.19 0.00 0.00 0.00 0.00 51.96 51.98 2auy s ALA 217 Cb -0.09 0.37 0.05 0.00 0.00 0.00 0.00 23.12 23.45 2auy s ALA 217 CO -0.01 -0.48 0.49 0.00 0.00 0.00 0.00 175.76 175.76 2auy s ALA 218 N -2.53 -1.23 -0.02 0.00 0.00 -1.19 -1.85 121.76 114.94 2auy s ALA 218 Ca -0.05 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.15 2auy s ALA 218 Cb -0.01 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.85 2auy s ALA 218 CO -0.03 -0.67 -0.01 -1.12 0.00 0.00 0.00 175.76 173.94 2auy s SER 219 N -2.67 0.39 0.00 0.00 0.01 -0.13 -0.36 113.70 110.94 2auy s SER 219 Ca 0.01 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.24 2auy s SER 219 Cb 0.00 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2auy s SER 219 CO -0.11 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2auy n GLY 220 N 3.79 0.38 0.22 3.44 0.00 -1.26 -1.76 105.19 109.99 2auy n GLY 220 Ca -0.23 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -6.15 1.61 5.08 -1.98 -0.28 114.58 112.87 2auy h GLU 221 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 2auy h GLU 221 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 2auy h GLU 221 CO 0.00 0.09 -0.56 -0.65 -1.00 0.00 0.00 179.01 176.89 2auy s GLN 222 N -3.25 3.00 0.20 2.33 -1.52 -1.26 -4.89 119.66 114.26 2auy s GLN 222 Ca 0.05 -0.73 -0.07 0.00 -1.95 0.00 0.00 55.36 52.67 2auy s GLN 222 Cb 0.06 -2.75 -0.02 0.00 -0.22 0.00 0.00 33.01 30.08 2auy s GLN 222 CO 0.66 0.53 0.26 1.52 -0.25 0.00 0.00 175.29 178.02 2auy s TYR 223 N -1.58 0.69 -0.22 0.91 1.13 -1.25 -4.33 117.35 112.70 2auy s TYR 223 Ca 0.31 -1.01 -0.35 0.00 -1.41 0.00 0.00 57.07 54.62 2auy s TYR 223 Cb -0.11 -0.20 0.15 0.00 -1.10 0.00 0.00 41.96 40.70 2auy s TYR 223 CO 0.24 -0.75 1.24 1.14 -2.51 0.00 0.00 175.55 174.91 2auy s GLN 224 N -4.05 0.25 0.42 -3.49 -2.07 -1.07 -3.54 119.66 106.10 2auy s GLN 224 Ca 0.27 -0.06 -0.19 0.00 -1.82 0.00 0.00 55.36 53.55 2auy s GLN 224 Cb 0.04 0.11 -0.10 0.00 -1.09 0.00 0.00 33.01 31.97 2auy s GLN 224 CO 0.07 -0.10 0.92 0.95 -1.32 0.00 0.00 175.29 175.80 2auy s THR 225 N -2.08 4.46 -0.43 3.63 -4.23 0.37 -4.86 115.64 112.49 2auy s THR 225 Ca 0.09 1.35 0.03 0.00 -1.18 0.00 0.00 61.69 61.98 2auy s THR 225 Cb -0.01 -3.62 0.12 0.00 1.34 0.00 0.00 72.50 70.34 2auy s THR 225 CO -0.04 -0.34 0.20 -1.00 -0.54 0.00 0.00 174.62 172.89 2auy s HIS 226 N -2.20 2.57 -0.37 3.99 0.09 -1.26 -3.25 115.29 114.85 2auy s HIS 226 Ca 0.60 -2.65 -0.14 0.00 -0.00 0.00 0.00 55.06 52.87 2auy s HIS 226 Cb -0.09 -2.30 0.00 0.00 -0.00 0.00 0.00 32.58 30.19 2auy s HIS 226 CO 0.16 -0.81 0.30 0.99 -0.00 0.00 0.00 174.74 175.39 2auy s THR 227 N 0.41 5.23 -0.32 1.30 2.01 -0.71 -2.16 115.64 121.40 2auy s THR 227 Ca 0.15 -0.34 -0.21 0.00 0.31 0.00 0.00 61.69 61.60 2auy s THR 227 Cb -0.23 -3.85 -0.00 0.00 0.01 0.00 0.00 72.50 68.43 2auy s THR 227 CO -0.04 -0.18 0.69 -0.22 -0.69 0.00 0.00 174.62 174.18 2auy s LEU 228 N 1.80 4.15 -0.13 4.42 2.96 -0.12 -1.49 118.68 130.27 2auy s LEU 228 Ca 0.07 0.43 0.07 0.00 -0.22 0.00 0.00 54.13 54.49 2auy s LEU 228 Cb -0.18 -2.90 -0.23 0.00 0.50 0.00 0.00 46.19 43.37 2auy s LEU 228 CO 0.11 -0.57 0.33 -0.62 -1.32 0.00 0.00 176.35 174.28 2auy n GLU 229 N 6.06 0.68 -3.54 1.98 1.02 -0.11 -0.99 120.64 125.74 2auy n GLU 229 Ca 0.01 0.20 -0.12 0.00 -0.02 0.00 0.00 57.16 57.23 2auy n GLU 229 Cb 0.49 -1.67 -0.04 0.00 -0.02 0.00 0.00 31.44 30.20 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 -6.26 -0.39 -0.28 1.62 1.04 -1.21 -4.29 113.70 103.93 2auy s SER 230 Ca -0.15 -0.13 -0.16 0.00 0.48 0.00 0.00 55.95 55.99 2auy s SER 230 Cb 0.07 0.52 0.11 0.00 0.10 0.00 0.00 66.02 66.83 2auy s SER 230 CO 0.78 -0.88 0.83 0.86 0.98 0.00 0.00 173.24 175.81 2auy s TRP 231 N -3.59 -0.82 0.02 5.02 -0.00 -0.52 -2.47 118.94 116.57 2auy s TRP 231 Ca 0.01 1.65 0.03 0.00 -0.00 0.00 0.00 56.10 57.79 2auy s TRP 231 Cb 0.00 0.49 -0.02 0.00 -0.00 0.00 0.00 33.47 33.95 2auy s TRP 231 CO -0.11 -0.41 -0.10 -1.54 -0.00 0.00 0.00 176.95 174.80 2auy s SER 232 N 1.45 1.13 -0.02 5.86 1.04 0.72 0.90 113.70 124.77 2auy s SER 232 Ca -0.09 -0.35 -0.06 0.00 0.48 0.00 0.00 55.95 55.93 2auy s SER 232 Cb -0.04 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.02 2auy s SER 232 CO -0.17 -0.00 0.13 0.12 0.98 0.00 0.00 173.24 174.30 2auy s PHE 233 N -0.71 -0.04 -0.12 5.02 2.19 -0.20 -0.89 117.98 123.24 2auy s PHE 233 Ca -0.01 0.08 -0.13 0.00 0.33 0.00 0.00 56.93 57.21 2auy s PHE 233 Cb -0.06 -0.01 0.03 0.00 -1.31 0.00 0.00 43.02 41.67 2auy s PHE 233 CO 0.00 -0.18 0.35 -0.08 1.83 0.00 0.00 175.22 177.14 2auy s THR 234 N -0.71 0.01 -0.05 0.12 -1.32 -0.70 -1.24 115.64 111.75 2auy s THR 234 Ca -0.08 -0.05 -0.09 0.00 -1.21 0.00 0.00 61.69 60.26 2auy s THR 234 Cb -0.05 -0.51 0.02 0.00 -1.51 0.00 0.00 72.50 70.45 2auy s THR 234 CO 0.01 -0.03 0.23 -0.94 -2.21 0.00 0.00 174.62 171.68 2auy s SER 235 N 0.04 -0.16 -0.08 8.08 1.04 -0.14 -1.24 113.70 121.24 2auy s SER 235 Ca -0.01 0.21 -0.03 0.00 0.48 0.00 0.00 55.95 56.60 2auy s SER 235 Cb -0.03 0.38 0.04 0.00 0.10 0.00 0.00 66.02 66.51 2auy s SER 235 CO 0.01 -0.24 0.16 -0.89 0.98 0.00 0.00 173.24 173.26 2auy s THR 236 N -0.59 -0.12 0.04 2.02 2.01 -0.92 -1.52 115.64 116.56 2auy s THR 236 Ca -0.07 0.23 -0.31 0.00 0.31 0.00 0.00 61.69 61.86 2auy s THR 236 Cb -0.04 -0.27 -0.06 0.00 0.01 0.00 0.00 72.50 72.14 2auy s THR 236 CO 0.01 0.10 1.38 -0.76 -0.69 0.00 0.00 174.62 174.66 2auy s LEU 237 N 1.55 4.34 0.15 4.42 1.43 -0.17 -1.56 118.68 128.84 2auy s LEU 237 Ca -0.05 2.17 0.06 0.00 -1.03 0.00 0.00 54.13 55.28 2auy s LEU 237 Cb -0.12 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 2auy s LEU 237 CO -0.06 -0.68 -0.14 -0.76 0.23 0.00 0.00 176.35 174.94 2auy s LEU 238 N 1.89 2.47 -0.23 1.79 1.43 -0.62 -4.92 118.68 120.48 2auy s LEU 238 Ca 0.64 -0.90 -0.17 0.00 -1.03 0.00 0.00 54.13 52.66 2auy s LEU 238 Cb -0.33 -0.56 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 2auy s LEU 238 CO 0.28 -0.18 0.47 -0.31 0.23 0.00 0.00 176.35 176.84 2auy s TYR 239 N -2.56 3.32 0.12 0.29 2.02 -1.26 -2.29 117.35 116.98 2auy s TYR 239 Ca 0.14 0.64 0.03 0.00 -0.37 0.00 0.00 57.07 57.50 2auy s TYR 239 Cb -0.02 -2.64 -0.04 0.00 -0.40 0.00 0.00 41.96 38.86 2auy s TYR 239 CO 0.04 -0.16 0.19 0.99 -1.57 0.00 0.00 175.55 175.03 2auy s THR 240 N 1.87 4.95 0.00 -0.71 2.01 -1.26 -5.06 115.64 117.44 2auy s THR 240 Ca 0.21 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.46 2auy s THR 240 Cb -0.15 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 68.88 2auy s THR 240 CO 0.09 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.02