#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nni s LEU 29 N 0.00 3.12 0.85 3.14 1.43 -1.24 -1.54 118.68 124.44 2nni s LEU 29 Ca 0.00 1.95 -0.10 0.00 -1.03 0.00 0.00 54.13 54.95 2nni s LEU 29 Cb 0.00 -4.54 0.11 0.00 0.03 0.00 0.00 46.19 41.79 2nni s LEU 29 CO 0.00 -2.09 1.12 -2.84 0.23 0.00 0.00 176.35 172.77 2nni s PRO 30 N -4.59 1.57 0.52 1.29 0.02 -1.26 -4.91 135.00 127.63 2nni s PRO 30 Ca 0.64 1.36 -0.08 0.00 0.02 0.00 0.00 61.00 62.94 2nni s PRO 30 Cb -0.20 -1.80 0.12 0.00 0.02 0.00 0.00 34.50 32.64 2nni s PRO 30 CO 0.52 -2.19 0.27 -2.30 -0.33 0.00 0.00 177.00 172.97 2nni n PRO 31 N -3.91 -1.83 0.00 5.54 -0.02 -1.26 -3.56 135.00 129.96 2nni n PRO 31 Ca 0.10 -0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 2nni n PRO 31 Cb 0.53 -0.71 0.00 0.00 -0.02 0.00 0.00 33.50 33.29 2nni n PRO 31 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nni n GLY 32 N -1.48 1.30 3.67 -1.23 0.00 -1.26 0.71 105.19 106.91 2nni n GLY 32 Ca 0.04 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 2nni n GLY 32 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2nni s PRO 33 N -1.89 4.17 0.10 1.61 0.02 -1.25 -4.90 135.00 132.85 2nni s PRO 33 Ca 0.00 2.43 -0.31 0.00 0.02 0.00 0.00 61.00 63.14 2nni s PRO 33 Cb 0.00 -3.87 -0.09 0.00 0.02 0.00 0.00 34.50 30.56 2nni s PRO 33 CO 0.00 -0.85 1.66 0.95 -0.33 0.00 0.00 177.00 178.43 2nni s THR 34 N 3.58 2.87 0.75 0.99 -4.23 -1.26 -4.80 115.64 113.53 2nni s THR 34 Ca 0.80 0.41 -0.11 0.00 -1.18 0.00 0.00 61.69 61.61 2nni s THR 34 Cb -0.40 -3.26 0.04 0.00 1.34 0.00 0.00 72.50 70.21 2nni s THR 34 CO 0.35 0.01 1.08 -2.16 -0.54 0.00 0.00 174.62 173.35 2nni s PRO 35 N 2.35 2.51 0.40 3.99 0.04 -1.26 -4.94 135.00 138.09 2nni s PRO 35 Ca 0.74 0.88 0.01 0.00 0.04 0.00 0.00 61.00 62.67 2nni s PRO 35 Cb -0.42 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 2nni s PRO 35 CO 0.33 -1.38 0.60 -0.51 0.04 0.00 0.00 177.00 176.08 2nni s LEU 36 N -5.69 3.82 0.46 -3.56 1.02 -0.89 -4.94 118.68 108.89 2nni s LEU 36 Ca 0.59 0.30 -0.21 0.00 0.02 0.00 0.00 54.13 54.83 2nni s LEU 36 Cb -0.15 -3.18 -0.09 0.00 0.02 0.00 0.00 46.19 42.80 2nni s LEU 36 CO 0.55 -0.51 1.03 -2.16 0.02 0.00 0.00 176.35 175.28 2nni s PRO 37 N -4.42 3.93 0.00 1.29 0.04 -1.26 -2.42 135.00 132.15 2nni s PRO 37 Ca 0.45 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.86 2nni s PRO 37 Cb -0.10 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2nni s PRO 37 CO 0.36 -0.32 0.00 -0.89 0.04 0.00 0.00 177.00 176.19 2nni n ILE 38 N -0.71 0.00 -0.07 0.56 -0.00 -1.26 -4.39 119.36 113.48 2nni n ILE 38 Ca 0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.73 2nni n ILE 38 Cb 0.52 0.00 -0.15 0.00 -0.00 0.00 0.00 39.64 40.01 2nni n ILE 38 CO 0.00 0.00 0.00 2.30 -0.00 0.00 0.00 176.55 178.85 2nni n ILE 39 N 0.00 1.47 -1.39 1.39 -5.35 -1.26 -4.10 119.36 110.12 2nni n ILE 39 Ca 0.00 -0.83 0.00 0.00 -0.27 0.00 0.00 62.75 61.65 2nni n ILE 39 Cb 0.00 -0.68 0.00 0.00 -1.74 0.00 0.00 39.64 37.22 2nni n ILE 39 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nni n GLY 40 N 1.70 0.69 0.88 3.28 0.00 -1.02 0.31 105.19 111.04 2nni n GLY 40 Ca -0.28 -1.20 0.12 0.00 0.00 0.00 0.00 46.02 44.66 2nni n GLY 40 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2nni n ASN 41 N 2.53 2.80 -0.12 1.61 4.13 0.59 -2.11 115.26 124.71 2nni n ASN 41 Ca 0.00 -1.92 -0.03 0.00 1.68 0.00 0.00 54.58 54.31 2nni n ASN 41 Cb 0.00 0.04 -0.03 0.00 -1.54 0.00 0.00 39.78 38.25 2nni n ASN 41 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 2nni n MET 42 N 1.15 -0.12 0.00 3.52 2.81 -1.25 0.18 117.12 123.40 2nni n MET 42 Ca 0.14 0.47 0.00 0.00 -1.81 0.00 0.00 57.70 56.50 2nni n MET 42 Cb 0.57 -0.69 0.00 0.00 -0.71 0.00 0.00 33.22 32.39 2nni n MET 42 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 2nni n LEU 43 N -4.09 0.33 0.00 4.03 -0.00 -1.26 -1.43 117.00 114.58 2nni n LEU 43 Ca 0.01 -0.16 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 2nni n LEU 43 Cb 0.07 -0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.33 2nni n LEU 43 CO -0.04 0.08 0.23 0.00 -0.00 0.00 0.00 177.39 177.66 2nni n GLN 44 N -0.05 -0.76 -4.34 1.47 6.02 0.46 -4.98 117.38 115.21 2nni n GLN 44 Ca 0.00 -0.46 -0.31 0.00 -0.01 0.00 0.00 57.00 56.22 2nni n GLN 44 Cb 0.08 -0.96 -0.16 0.00 1.02 0.00 0.00 30.24 30.21 2nni n GLN 44 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2nni s ILE 45 N -0.02 1.79 -0.38 5.09 1.01 -0.51 -5.02 121.20 123.15 2nni s ILE 45 Ca 0.00 -0.79 -0.28 0.00 0.00 0.00 0.00 60.65 59.58 2nni s ILE 45 Cb 0.00 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 2nni s ILE 45 CO 0.00 0.50 1.78 -0.62 0.00 0.00 0.00 174.94 176.59 2nni s ASP 46 N 1.12 5.83 0.61 3.58 2.15 -1.26 -4.82 116.67 123.89 2nni s ASP 46 Ca -0.02 1.12 0.36 0.00 0.43 0.00 0.00 52.55 54.45 2nni s ASP 46 Cb -0.14 -2.53 2.00 0.00 -0.30 0.00 0.00 42.92 41.95 2nni s ASP 46 CO -0.06 -1.79 2.26 0.58 -0.17 0.00 0.00 175.17 175.99 2nni h VAL 47 N 6.79 0.27 0.00 1.11 2.07 -1.97 -1.24 116.25 123.29 2nni h VAL 47 Ca -0.32 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2nni h VAL 47 Cb 1.16 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2nni h VAL 47 CO 1.06 0.02 0.00 0.29 0.02 0.00 0.00 177.57 178.96 2nni n LYS 48 N -3.44 0.00 -2.12 1.57 5.02 -1.26 -4.23 118.16 113.71 2nni n LYS 48 Ca -0.03 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.85 2nni n LYS 48 Cb 0.12 -0.57 -0.00 0.00 -0.02 0.00 0.00 35.03 34.55 2nni n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2nni n ASP 49 N -0.37 6.91 0.25 4.39 2.03 -1.22 -4.09 116.55 124.44 2nni n ASP 49 Ca 0.00 -3.12 0.12 0.00 0.52 0.00 0.00 54.79 52.31 2nni n ASP 49 Cb 0.00 -1.41 0.64 0.00 -0.72 0.00 0.00 41.12 39.63 2nni n ASP 49 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2nni h ILE 50 N 3.06 0.00 0.06 5.18 2.10 -1.39 -0.58 117.51 125.93 2nni h ILE 50 Ca 0.58 0.00 -0.26 0.00 1.08 0.00 0.00 64.86 66.27 2nni h ILE 50 Cb 0.43 0.52 0.01 0.00 -1.09 0.00 0.00 36.82 36.69 2nni h ILE 50 CO 1.54 0.00 -1.08 0.00 -1.08 0.00 0.00 178.15 177.53 2nni h LYS 52 N 0.22 0.40 0.20 0.00 1.63 -1.48 -0.49 116.57 117.06 2nni h LYS 52 Ca -0.12 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.61 2nni h LYS 52 Cb 1.75 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.31 2nni h LYS 52 CO 0.19 0.39 -0.10 0.77 -3.45 0.00 0.00 179.45 177.25 2nni h SER 53 N 0.40 -0.23 -0.64 4.20 0.02 -1.44 -2.61 113.55 113.26 2nni h SER 53 Ca 0.10 -0.16 0.07 0.00 -0.84 0.00 0.00 61.79 60.96 2nni h SER 53 Cb 0.18 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 2nni h SER 53 CO -0.00 0.03 0.32 -0.26 -1.14 0.00 0.00 176.83 175.78 2nni h PHE 54 N -0.49 0.57 -1.00 3.45 0.04 -0.81 -1.94 116.94 116.76 2nni h PHE 54 Ca -0.03 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.85 2nni h PHE 54 Cb 0.37 -0.16 -0.07 0.00 2.20 0.00 0.00 35.95 38.29 2nni h PHE 54 CO 0.00 0.24 0.64 1.15 -0.60 0.00 0.00 178.31 179.74 2nni h THR 55 N 0.57 1.04 -0.10 -1.55 2.02 -1.02 -0.40 112.91 113.46 2nni h THR 55 Ca 0.30 -0.38 -0.12 0.00 0.77 0.00 0.00 66.41 66.97 2nni h THR 55 Cb 0.26 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 2nni h THR 55 CO -0.22 0.20 -0.48 0.78 0.37 0.00 0.00 175.52 176.17 2nni h ASN 56 N 1.12 0.28 -0.58 4.18 2.35 -0.98 -2.87 115.58 119.08 2nni h ASN 56 Ca 0.45 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 56.01 2nni h ASN 56 Cb 0.26 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 2nni h ASN 56 CO -0.20 0.72 0.13 -0.26 -1.65 0.00 0.00 177.43 176.16 2nni h PHE 57 N 0.21 0.98 -0.69 1.19 0.05 -0.41 -2.73 116.94 115.55 2nni h PHE 57 Ca 0.01 -0.12 0.05 0.00 3.82 0.00 0.00 57.97 61.73 2nni h PHE 57 Cb 0.92 -0.28 -0.04 0.00 2.00 0.00 0.00 35.95 38.56 2nni h PHE 57 CO 0.02 0.85 0.45 0.66 -0.18 0.00 0.00 178.31 180.11 2nni h SER 58 N 0.84 0.64 0.02 2.17 4.64 -1.00 0.35 113.55 121.20 2nni h SER 58 Ca 0.18 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2nni h SER 58 Cb 0.37 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2nni h SER 58 CO 0.00 0.43 0.00 0.29 -0.87 0.00 0.00 176.83 176.68 2nni n LYS 59 N -4.47 0.55 0.00 4.77 5.02 -1.03 -0.33 118.16 122.67 2nni n LYS 59 Ca 0.10 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2nni n LYS 59 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 2nni n LYS 59 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2nni n VAL 60 N -1.01 0.00 -0.93 -0.18 0.31 0.11 -4.82 118.33 111.80 2nni n VAL 60 Ca 0.13 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2nni n VAL 60 Cb 0.07 0.99 0.00 0.00 -0.91 0.00 0.00 33.84 33.99 2nni n VAL 60 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2nni n TYR 61 N -0.69 0.00 -2.79 3.52 4.01 -0.25 -5.03 117.16 115.93 2nni n TYR 61 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2nni n TYR 61 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2nni n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2nni n GLY 62 N 0.00 -1.97 0.23 2.72 0.00 0.55 -4.57 105.19 102.15 2nni n GLY 62 Ca 0.00 -1.62 -0.01 0.00 0.00 0.00 0.00 46.02 44.39 2nni n GLY 62 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2nni h PRO 63 N 0.00 0.03 -6.34 1.61 0.11 -1.82 -3.40 132.00 122.19 2nni h PRO 63 Ca 0.00 -0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.42 2nni h PRO 63 Cb 0.00 -0.01 -0.21 0.00 0.11 0.00 0.00 31.00 30.90 2nni h PRO 63 CO 0.00 0.02 -0.75 0.08 -0.21 0.00 0.00 178.00 177.14 2nni s VAL 64 N -6.21 3.27 -0.07 3.15 1.01 -1.26 -0.02 120.40 120.27 2nni s VAL 64 Ca -0.14 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 2nni s VAL 64 Cb 0.19 -2.35 0.11 0.00 0.00 0.00 0.00 36.38 34.33 2nni s VAL 64 CO 0.73 0.49 0.98 0.72 0.00 0.00 0.00 175.10 178.02 2nni s PHE 65 N -0.86 -0.30 -0.11 5.22 -0.12 -0.89 -4.59 117.98 116.34 2nni s PHE 65 Ca 0.14 0.23 -0.01 0.00 -0.05 0.00 0.00 56.93 57.24 2nni s PHE 65 Cb -0.11 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 42.78 2nni s PHE 65 CO 0.04 -0.44 -0.07 0.99 -0.05 0.00 0.00 175.22 175.69 2nni s THR 66 N -2.70 3.67 0.05 -4.49 2.01 0.22 0.03 115.64 114.43 2nni s THR 66 Ca 0.05 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 61.62 2nni s THR 66 Cb -0.01 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 2nni s THR 66 CO -0.07 0.55 -0.11 0.68 -0.69 0.00 0.00 174.62 174.98 2nni s VAL 67 N -0.25 0.86 -0.25 3.82 -7.23 -0.55 -3.90 120.40 112.90 2nni s VAL 67 Ca 0.03 -1.09 -0.05 0.00 -1.81 0.00 0.00 61.98 59.06 2nni s VAL 67 Cb -0.13 -0.84 0.00 0.00 0.56 0.00 0.00 36.38 35.97 2nni s VAL 67 CO 0.03 -0.22 0.01 -0.31 -0.31 0.00 0.00 175.10 174.30 2nni s TYR 68 N -1.16 3.06 -0.45 2.82 1.51 -1.26 -0.53 117.35 121.34 2nni s TYR 68 Ca -0.04 -1.01 -0.20 0.00 -1.01 0.00 0.00 57.07 54.80 2nni s TYR 68 Cb -0.09 -2.16 0.03 0.00 -0.11 0.00 0.00 41.96 39.63 2nni s TYR 68 CO 0.01 -0.57 0.63 -0.06 -1.11 0.00 0.00 175.55 174.45 2nni s PHE 69 N 1.47 3.07 0.00 2.71 2.99 -0.12 -0.30 117.98 127.80 2nni s PHE 69 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 56.93 56.84 2nni s PHE 69 Cb -0.16 -3.34 0.00 0.00 0.00 0.00 0.00 43.02 39.52 2nni s PHE 69 CO -0.01 -0.88 0.00 0.41 -0.00 0.00 0.00 175.22 174.74 2nni n GLY 70 N 5.06 2.35 0.69 4.36 0.00 0.15 -1.79 105.19 116.01 2nni n GLY 70 Ca -0.02 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.79 2nni n GLY 70 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2nni n MET 71 N 13.25 1.85 -3.20 1.61 1.56 -1.26 -3.17 117.12 127.75 2nni n MET 71 Ca 0.00 -1.39 -0.39 0.00 -0.27 0.00 0.00 57.70 55.65 2nni n MET 71 Cb 0.00 -1.47 -0.05 0.00 2.15 0.00 0.00 33.22 33.84 2nni n MET 71 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 2nni s ASN 72 N -2.12 6.81 0.38 6.12 0.01 -0.74 -5.07 114.94 120.33 2nni s ASN 72 Ca 0.29 0.97 -0.14 0.00 -0.71 0.00 0.00 52.86 53.27 2nni s ASN 72 Cb 0.20 -2.34 -0.08 0.00 0.41 0.00 0.00 41.25 39.44 2nni s ASN 72 CO 0.37 -0.05 0.79 -2.16 -1.51 0.00 0.00 177.10 174.54 2nni s PRO 73 N 0.71 3.95 -0.14 -0.60 0.04 -1.26 -0.94 135.00 136.75 2nni s PRO 73 Ca 0.31 0.68 -0.04 0.00 0.04 0.00 0.00 61.00 61.99 2nni s PRO 73 Cb -0.16 -2.36 0.07 0.00 0.04 0.00 0.00 34.50 32.08 2nni s PRO 73 CO 0.14 0.04 0.19 0.42 0.04 0.00 0.00 177.00 177.82 2nni s ILE 74 N -2.19 -0.28 -0.36 0.56 1.01 0.30 -3.90 121.20 116.35 2nni s ILE 74 Ca 0.55 0.11 -0.18 0.00 0.00 0.00 0.00 60.65 61.12 2nni s ILE 74 Cb -0.10 -0.49 0.00 0.00 0.01 0.00 0.00 42.46 41.88 2nni s ILE 74 CO 0.22 -0.04 0.49 0.54 0.00 0.00 0.00 174.94 176.16 2nni s VAL 75 N 2.30 5.03 -0.08 2.92 0.11 -0.81 -1.48 120.40 128.39 2nni s VAL 75 Ca 0.04 0.20 -0.15 0.00 -2.93 0.00 0.00 61.98 59.14 2nni s VAL 75 Cb -0.14 -3.97 -0.05 0.00 -1.53 0.00 0.00 36.38 30.69 2nni s VAL 75 CO -0.09 -0.25 0.38 -0.69 -3.33 0.00 0.00 175.10 171.12 2nni s VAL 76 N 2.34 5.17 -0.19 2.04 1.01 0.10 -2.36 120.40 128.51 2nni s VAL 76 Ca 0.17 0.75 -0.05 0.00 0.00 0.00 0.00 61.98 62.86 2nni s VAL 76 Cb -0.16 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2nni s VAL 76 CO 0.14 0.47 -0.01 -0.36 0.00 0.00 0.00 175.10 175.33 2nni s PHE 77 N -0.24 3.03 -0.10 5.22 0.08 -0.24 -2.10 117.98 123.64 2nni s PHE 77 Ca 0.22 -0.44 0.03 0.00 0.12 0.00 0.00 56.93 56.86 2nni s PHE 77 Cb -0.15 -2.05 -0.00 0.00 -0.57 0.00 0.00 43.02 40.24 2nni s PHE 77 CO 0.09 -0.20 -0.22 -1.58 -0.10 0.00 0.00 175.22 173.22 2nni s HIS 78 N 0.85 2.61 0.00 0.36 2.46 0.97 -2.22 115.29 120.32 2nni s HIS 78 Ca 0.00 -0.93 0.00 0.00 0.47 0.00 0.00 55.06 54.60 2nni s HIS 78 Cb -0.14 -1.73 0.00 0.00 -0.13 0.00 0.00 32.58 30.58 2nni s HIS 78 CO 0.02 -0.36 0.00 0.41 -2.47 0.00 0.00 174.74 172.34 2nni n GLY 79 N 3.47 1.21 0.36 1.59 0.00 -1.26 -4.35 105.19 106.20 2nni n GLY 79 Ca -0.19 -1.68 -0.07 0.00 0.00 0.00 0.00 46.02 44.08 2nni n GLY 79 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2nni h TYR 80 N 0.00 -1.01 -0.65 1.61 3.20 -1.93 -1.30 116.97 116.89 2nni h TYR 80 Ca 0.00 0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.96 2nni h TYR 80 Cb 0.00 0.51 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 2nni h TYR 80 CO 0.00 -0.40 0.40 0.93 -1.64 0.00 0.00 178.16 177.46 2nni h GLU 81 N -0.24 0.77 -0.00 1.82 5.08 -1.98 0.27 114.58 120.29 2nni h GLU 81 Ca 0.18 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2nni h GLU 81 Cb 0.55 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2nni h GLU 81 CO -0.60 0.51 -0.00 0.00 -1.00 0.00 0.00 179.01 177.92 2nni h ALA 82 N 1.28 0.00 -0.76 3.43 0.00 -1.67 0.89 119.26 122.44 2nni h ALA 82 Ca 0.26 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2nni h ALA 82 Cb 0.02 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2nni h ALA 82 CO -0.11 -0.31 0.50 0.28 0.00 0.00 0.00 179.25 179.61 2nni h VAL 83 N -0.35 1.12 0.02 0.00 2.07 -1.12 -1.72 116.25 116.27 2nni h VAL 83 Ca 0.00 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 2nni h VAL 83 Cb 0.36 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2nni h VAL 83 CO 0.00 0.17 -0.27 0.50 0.02 0.00 0.00 177.57 177.99 2nni h LYS 84 N 0.94 0.15 -0.82 1.57 3.64 -0.90 -0.86 116.57 120.28 2nni h LYS 84 Ca 0.30 -0.19 0.10 0.00 -1.27 0.00 0.00 60.65 59.59 2nni h LYS 84 Cb 0.03 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.84 2nni h LYS 84 CO -0.08 0.98 0.46 1.49 -2.27 0.00 0.00 179.45 180.03 2nni h GLU 85 N -0.59 0.74 0.00 1.90 4.81 -0.70 0.21 114.58 120.94 2nni h GLU 85 Ca -0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2nni h GLU 85 Cb 1.09 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.30 2nni h GLU 85 CO 0.05 0.49 0.00 0.00 -0.73 0.00 0.00 179.01 178.82 2nni n ALA 86 N -2.38 -0.14 -0.35 2.92 0.00 -0.66 -1.73 120.51 118.17 2nni n ALA 86 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.64 2nni n ALA 86 Cb 0.29 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.96 2nni n ALA 86 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2nni h LEU 87 N 0.00 0.90 0.00 0.00 3.38 -1.20 -2.48 115.31 115.91 2nni h LEU 87 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2nni h LEU 87 Cb 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2nni h LEU 87 CO 0.00 0.50 -0.29 -0.38 0.09 0.00 0.00 178.44 178.36 2nni n ILE 88 N -4.63 0.64 0.07 1.22 5.41 -0.02 -3.47 119.36 118.58 2nni n ILE 88 Ca 0.18 0.37 0.07 0.00 1.00 0.00 0.00 62.75 64.36 2nni n ILE 88 Cb 0.32 -1.89 0.51 0.00 -0.71 0.00 0.00 39.64 37.87 2nni n ILE 88 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2nni h ASP 89 N -0.44 0.30 -0.25 4.38 3.32 -1.16 -1.13 116.42 121.43 2nni h ASP 89 Ca 0.00 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 2nni h ASP 89 Cb 0.29 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.69 2nni h ASP 89 CO 0.00 0.21 -0.17 0.59 -1.72 0.00 0.00 179.24 178.15 2nni n ASN 90 N -4.49 2.36 -0.09 6.45 3.02 -0.70 -4.89 115.26 116.91 2nni n ASN 90 Ca 0.02 -3.75 -0.02 0.00 -0.03 0.00 0.00 54.58 50.80 2nni n ASN 90 Cb 0.12 -0.60 -0.02 0.00 -0.61 0.00 0.00 39.78 38.67 2nni n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nni n GLY 91 N -1.10 -1.12 0.32 7.41 0.00 -0.43 -1.62 105.19 108.64 2nni n GLY 91 Ca 0.29 0.36 -0.07 0.00 0.00 0.00 0.00 46.02 46.59 2nni n GLY 91 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2nni h GLU 92 N 0.00 -0.23 0.00 1.61 4.39 -1.86 -1.25 114.58 117.24 2nni h GLU 92 Ca 0.03 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 2nni h GLU 92 Cb 0.09 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2nni h GLU 92 CO -0.20 -0.15 -0.12 0.93 -1.16 0.00 0.00 179.01 178.30 2nni h GLU 93 N -0.24 0.00 -0.45 2.33 3.07 -1.68 -2.60 114.58 115.01 2nni h GLU 93 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 2nni h GLU 93 Cb 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 2nni h GLU 93 CO -0.51 0.12 0.00 1.19 -1.40 0.00 0.00 179.01 178.41 2nni n PHE 94 N -3.88 0.59 1.01 4.33 3.01 -0.57 -0.37 117.46 121.58 2nni n PHE 94 Ca -0.02 -0.30 0.03 0.00 1.01 0.00 0.00 57.45 58.18 2nni n PHE 94 Cb 0.22 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.80 2nni n PHE 94 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2nni n SER 95 N 1.20 1.62 -4.86 4.37 3.41 -0.65 -4.57 113.62 114.14 2nni n SER 95 Ca 0.19 -2.08 -0.34 0.00 -0.26 0.00 0.00 58.87 56.38 2nni n SER 95 Cb 0.52 -0.27 -0.06 0.00 -0.26 0.00 0.00 64.21 64.14 2nni n SER 95 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2nni s GLY 96 N -0.78 2.39 -0.35 5.00 0.00 -1.06 -4.90 107.32 107.62 2nni s GLY 96 Ca 0.16 -0.21 -0.23 0.00 0.00 0.00 0.00 44.72 44.44 2nni s GLY 96 CO 0.09 0.02 0.79 -1.60 0.00 0.00 0.00 173.10 172.40 2nni s ARG 97 N -2.21 3.80 0.14 2.90 6.06 -1.26 0.24 118.95 128.61 2nni s ARG 97 Ca 0.40 0.37 -0.31 0.00 -2.50 0.00 0.00 55.73 53.69 2nni s ARG 97 Cb -0.14 -3.79 -0.10 0.00 0.06 0.00 0.00 34.95 30.98 2nni s ARG 97 CO 0.20 -0.82 1.78 0.20 -2.50 0.00 0.00 175.30 174.16 2nni s GLY 98 N 1.80 1.34 0.22 8.12 0.00 -0.93 -4.57 107.32 113.29 2nni s GLY 98 Ca 0.32 1.45 0.01 0.00 0.00 0.00 0.00 44.72 46.50 2nni s GLY 98 CO 0.16 3.05 0.11 -2.01 0.00 0.00 0.00 173.10 174.41 2nni n ASN 99 N 5.29 1.99 -3.70 1.64 2.85 -1.26 -4.73 115.26 117.34 2nni n ASN 99 Ca 0.17 -1.81 -0.03 0.00 -0.11 0.00 0.00 54.58 52.80 2nni n ASN 99 Cb 0.38 0.04 -0.01 0.00 1.24 0.00 0.00 39.78 41.42 2nni n ASN 99 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2nni s SER 100 N -2.25 -0.16 0.25 1.20 1.04 -1.26 -5.03 113.70 107.49 2nni s SER 100 Ca 0.08 -0.29 -0.04 0.00 0.48 0.00 0.00 55.95 56.18 2nni s SER 100 Cb -0.01 0.39 0.47 0.00 0.10 0.00 0.00 66.02 66.98 2nni s SER 100 CO 0.05 -0.72 1.72 -0.65 0.98 0.00 0.00 173.24 174.63 2nni h PRO 101 N 2.00 0.41 0.49 4.02 0.11 -1.96 0.47 132.00 137.54 2nni h PRO 101 Ca -0.25 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 2nni h PRO 101 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2nni h PRO 101 CO 0.26 0.27 -0.24 0.82 -0.21 0.00 0.00 178.00 178.91 2nni h ILE 102 N 0.42 0.00 -1.02 4.15 1.08 -1.93 -2.69 117.51 117.52 2nni h ILE 102 Ca 0.42 -0.42 0.28 0.00 -0.39 0.00 0.00 64.86 64.75 2nni h ILE 102 Cb 0.66 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.28 2nni h ILE 102 CO -0.42 0.00 0.61 -1.28 -0.69 0.00 0.00 178.15 176.37 2nni h SER 103 N -1.08 0.58 0.13 1.72 0.87 -1.92 -1.83 113.55 112.02 2nni h SER 103 Ca -0.07 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 2nni h SER 103 Cb 0.50 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2nni h SER 103 CO 0.11 0.03 -0.06 1.56 -0.53 0.00 0.00 176.83 177.94 2nni h GLN 104 N 0.47 -0.17 0.00 2.24 1.08 -0.94 -2.47 115.11 115.32 2nni h GLN 104 Ca 0.67 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.88 2nni h GLN 104 Cb 1.44 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.90 2nni h GLN 104 CO -0.47 0.16 0.00 -2.13 -0.95 0.00 0.00 178.83 175.43 2nni n ARG 105 N -5.02 0.07 -0.09 1.46 0.63 -0.74 0.77 116.66 113.75 2nni n ARG 105 Ca -0.09 0.34 -0.13 0.00 -0.92 0.00 0.00 57.85 57.05 2nni n ARG 105 Cb 0.21 -1.64 -0.07 0.00 0.45 0.00 0.00 32.46 31.41 2nni n ARG 105 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2nni h ILE 106 N 0.00 0.48 0.07 5.15 1.08 -1.39 -3.42 117.51 119.48 2nni h ILE 106 Ca 0.00 -1.62 -0.30 0.00 -0.39 0.00 0.00 64.86 62.55 2nni h ILE 106 Cb 0.26 1.16 -0.03 0.00 -3.07 0.00 0.00 36.82 35.15 2nni h ILE 106 CO 0.00 0.16 -1.62 0.71 -0.69 0.00 0.00 178.15 176.71 2nni h THR 107 N -1.00 1.01 -0.74 -0.27 1.35 -1.40 -3.48 112.91 108.38 2nni h THR 107 Ca -0.18 -2.75 -0.17 0.00 -0.55 0.00 0.00 66.41 62.76 2nni h THR 107 Cb 0.91 2.61 -0.04 0.00 -1.73 0.00 0.00 68.15 69.90 2nni h THR 107 CO -0.11 0.73 -0.18 0.29 -0.25 0.00 0.00 175.52 176.00 2nni n LYS 108 N -3.31 -0.62 -1.00 4.72 5.02 0.23 -2.20 118.16 121.01 2nni n LYS 108 Ca -0.18 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 2nni n LYS 108 Cb 1.04 -4.53 0.00 0.00 -0.02 0.00 0.00 35.03 31.52 2nni n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nni n GLY 109 N -1.55 0.41 3.88 0.72 0.00 -1.26 -5.01 105.19 102.38 2nni n GLY 109 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2nni n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nni s LEU 110 N 0.00 4.01 0.00 0.99 1.43 -0.93 -4.26 118.68 119.91 2nni s LEU 110 Ca 0.00 0.98 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 2nni s LEU 110 Cb 0.00 -3.80 0.00 0.00 0.03 0.00 0.00 46.19 42.42 2nni s LEU 110 CO 0.00 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 176.95 2nni n GLY 111 N -0.80 -1.59 0.22 -3.19 0.00 -1.26 -4.54 105.19 94.02 2nni n GLY 111 Ca 0.01 -1.75 -0.17 0.00 0.00 0.00 0.00 46.02 44.11 2nni n GLY 111 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2nni n ILE 112 N 0.00 1.08 0.17 -0.61 3.06 -1.26 -4.20 119.36 117.59 2nni n ILE 112 Ca 0.00 -0.35 -0.14 0.00 -2.50 0.00 0.00 62.75 59.76 2nni n ILE 112 Cb 0.00 -1.43 -0.07 0.00 0.54 0.00 0.00 39.64 38.68 2nni n ILE 112 CO 0.00 0.00 0.00 0.40 -2.50 0.00 0.00 176.55 174.45 2nni h ILE 113 N -0.31 0.66 0.00 9.51 2.04 -1.96 -3.28 117.51 124.17 2nni h ILE 113 Ca -0.45 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2nni h ILE 113 Cb 1.55 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2nni h ILE 113 CO -0.17 0.00 -0.62 0.28 0.00 0.00 0.00 178.15 177.64 2nni h SER 114 N -0.41 0.00 -3.93 1.72 0.02 -1.85 -3.47 113.55 105.62 2nni h SER 114 Ca -0.03 -0.05 -0.45 0.00 -0.84 0.00 0.00 61.79 60.42 2nni h SER 114 Cb 0.34 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.04 2nni h SER 114 CO 0.03 0.02 0.21 -0.94 -1.14 0.00 0.00 176.83 175.01 2nni s SER 115 N -5.27 2.73 0.35 3.07 1.04 -1.24 -4.88 113.70 109.50 2nni s SER 115 Ca 0.03 1.13 -0.02 0.00 0.48 0.00 0.00 55.95 57.58 2nni s SER 115 Cb 0.09 -1.78 0.00 0.00 0.10 0.00 0.00 66.02 64.43 2nni s SER 115 CO 0.74 -3.06 0.47 0.20 0.98 0.00 0.00 173.24 172.56 2nni s ASN 116 N -3.56 0.98 0.69 7.02 0.01 -1.26 -4.61 114.94 114.20 2nni s ASN 116 Ca 0.65 -1.51 0.00 0.00 -0.71 0.00 0.00 52.86 51.29 2nni s ASN 116 Cb -0.18 0.66 0.00 0.00 0.41 0.00 0.00 41.25 42.14 2nni s ASN 116 CO 0.57 -1.29 0.00 0.61 -1.51 0.00 0.00 177.10 175.48 2nni n GLY 117 N -0.57 0.93 0.24 0.66 0.00 -1.26 -2.80 105.19 102.39 2nni n GLY 117 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2nni n GLY 117 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2nni h LYS 118 N 0.00 0.02 -0.18 1.61 3.64 -2.00 0.35 116.57 120.01 2nni h LYS 118 Ca 0.00 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2nni h LYS 118 Cb 0.00 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2nni h LYS 118 CO 0.00 0.02 0.15 -0.09 -2.27 0.00 0.00 179.45 177.25 2nni h ARG 119 N 0.03 0.00 0.20 1.90 2.43 -1.99 -2.23 114.38 114.71 2nni h ARG 119 Ca 0.32 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 2nni h ARG 119 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2nni h ARG 119 CO -0.63 0.00 -0.09 2.35 -1.51 0.00 0.00 179.97 180.08 2nni h TRP 120 N 0.00 -0.25 -0.94 2.20 7.01 -0.77 -2.98 115.95 120.22 2nni h TRP 120 Ca 0.09 -0.01 0.28 0.00 2.11 0.00 0.00 58.89 61.36 2nni h TRP 120 Cb 0.38 0.08 -0.16 0.00 -2.10 0.00 0.00 29.16 27.36 2nni h TRP 120 CO 0.00 -0.15 0.23 0.87 -2.79 0.00 0.00 178.44 176.59 2nni h LYS 121 N -0.78 0.11 -0.19 2.65 1.57 -1.18 0.27 116.57 119.00 2nni h LYS 121 Ca -0.03 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.55 2nni h LYS 121 Cb 0.20 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2nni h LYS 121 CO 0.04 0.07 -0.65 0.93 -0.57 0.00 0.00 179.45 179.28 2nni h GLU 122 N 0.11 0.71 -0.11 3.15 5.08 -1.54 -1.99 114.58 119.99 2nni h GLU 122 Ca 0.62 -0.51 -0.21 0.00 -1.00 0.00 0.00 59.36 58.26 2nni h GLU 122 Cb 1.35 0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.69 2nni h GLU 122 CO -0.76 1.13 -0.79 0.82 -1.00 0.00 0.00 179.01 178.41 2nni h ILE 123 N 0.52 1.31 -0.16 3.13 1.08 -0.82 -2.38 117.51 120.20 2nni h ILE 123 Ca -0.01 -2.07 -0.05 0.00 -0.39 0.00 0.00 64.86 62.34 2nni h ILE 123 Cb 1.24 2.07 -0.00 0.00 -3.07 0.00 0.00 36.82 37.05 2nni h ILE 123 CO 0.13 0.64 -0.10 -0.09 -0.69 0.00 0.00 178.15 178.04 2nni h ARG 124 N 0.44 0.35 -0.96 2.37 2.43 -0.62 0.47 114.38 118.85 2nni h ARG 124 Ca -0.05 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 58.98 2nni h ARG 124 Cb 1.41 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.90 2nni h ARG 124 CO 0.15 0.68 0.63 -0.09 -1.51 0.00 0.00 179.97 179.84 2nni h ARG 125 N 0.00 1.22 -0.27 0.20 2.43 -1.42 0.80 114.38 117.34 2nni h ARG 125 Ca 0.03 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 58.96 2nni h ARG 125 Cb 0.59 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2nni h ARG 125 CO 0.03 0.81 -0.49 0.35 -1.51 0.00 0.00 179.97 179.15 2nni h PHE 126 N 1.26 0.91 -0.22 2.20 3.04 -1.35 -2.94 116.94 119.84 2nni h PHE 126 Ca 0.36 -0.31 -0.07 0.00 3.98 0.00 0.00 57.97 61.94 2nni h PHE 126 Cb -0.08 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 38.24 2nni h PHE 126 CO -0.00 1.08 -0.14 0.77 -2.02 0.00 0.00 178.31 178.00 2nni h SER 127 N 0.58 0.51 -0.69 0.41 0.02 0.34 -1.78 113.55 112.95 2nni h SER 127 Ca 0.03 -0.44 0.01 0.00 -0.84 0.00 0.00 61.79 60.55 2nni h SER 127 Cb 1.06 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.43 2nni h SER 127 CO 0.10 0.83 0.45 -0.07 -1.14 0.00 0.00 176.83 177.01 2nni h LEU 128 N 0.18 0.77 -0.08 5.07 3.38 0.53 -0.87 115.31 124.29 2nni h LEU 128 Ca 0.04 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 2nni h LEU 128 Cb 0.66 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2nni h LEU 128 CO 0.04 0.56 -1.01 0.71 0.09 0.00 0.00 178.44 178.82 2nni h THR 129 N 0.92 1.58 0.00 0.22 1.35 -1.56 -3.13 112.91 112.28 2nni h THR 129 Ca 0.26 -3.03 0.00 0.00 -0.55 0.00 0.00 66.41 63.09 2nni h THR 129 Cb -0.08 2.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 2nni h THR 129 CO -0.07 0.87 0.00 0.00 -0.25 0.00 0.00 175.52 176.08 2nni h THR 130 N 0.05 0.00 -0.67 6.82 1.03 -1.10 -2.90 112.91 116.14 2nni h THR 130 Ca -0.05 -0.38 0.00 0.00 -0.01 0.00 0.00 66.41 65.97 2nni h THR 130 Cb 1.71 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 70.04 2nni h THR 130 CO 0.15 0.00 0.00 0.18 -0.01 0.00 0.00 175.52 175.84 2nni n LEU 131 N -2.38 4.77 -4.81 0.00 4.77 -0.35 -3.95 117.00 115.05 2nni n LEU 131 Ca 0.03 -2.40 -0.33 0.00 -0.03 0.00 0.00 56.01 53.28 2nni n LEU 131 Cb 0.32 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2nni n LEU 131 CO 0.25 0.83 0.71 -0.13 -1.33 0.00 0.00 177.39 177.72 2nni s ARG 132 N -1.80 3.42 0.54 3.23 0.52 -1.10 -4.88 118.95 118.88 2nni s ARG 132 Ca 0.52 1.17 0.48 0.00 -0.52 0.00 0.00 55.73 57.38 2nni s ARG 132 Cb 0.33 -2.05 1.65 0.00 0.52 0.00 0.00 34.95 35.40 2nni s ARG 132 CO 0.26 -0.73 1.50 -1.71 0.02 0.00 0.00 175.30 174.64 2nni n ASN 133 N -1.96 0.00 0.00 0.23 5.15 -1.26 -0.19 115.26 117.23 2nni n ASN 133 Ca 0.08 0.95 0.00 0.00 -0.60 0.00 0.00 54.58 55.02 2nni n ASN 133 Cb 0.53 -0.47 0.00 0.00 -0.53 0.00 0.00 39.78 39.31 2nni n ASN 133 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2nni n PHE 134 N -3.83 0.00 0.00 1.20 3.72 -1.26 -0.40 117.46 116.89 2nni n PHE 134 Ca 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.82 2nni n PHE 134 Cb 1.94 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 40.48 2nni n PHE 134 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nni n GLY 135 N 0.46 -0.08 0.12 1.37 0.00 0.73 -1.55 105.19 106.24 2nni n GLY 135 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2nni n GLY 135 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2nni n MET 136 N -0.90 2.35 0.00 1.61 2.81 -1.25 -4.65 117.12 117.09 2nni n MET 136 Ca 0.00 -2.01 0.00 0.00 -1.81 0.00 0.00 57.70 53.88 2nni n MET 136 Cb 0.08 -1.25 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 2nni n MET 136 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2nni n GLY 137 N -0.78 0.63 0.31 3.03 0.00 -0.60 -3.82 105.19 103.97 2nni n GLY 137 Ca 0.08 -2.16 0.02 0.00 0.00 0.00 0.00 46.02 43.95 2nni n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nni h LYS 138 N 2.11 0.69 -5.58 1.61 1.57 -1.84 -3.41 116.57 111.72 2nni h LYS 138 Ca 0.00 -0.06 -0.63 0.00 -1.87 0.00 0.00 60.65 58.09 2nni h LYS 138 Cb 0.00 -0.14 -0.14 0.00 0.08 0.00 0.00 32.23 32.03 2nni h LYS 138 CO 0.00 0.50 0.41 0.50 -0.57 0.00 0.00 179.45 180.29 2nni s ARG 139 N -5.50 3.26 0.85 3.15 3.52 -1.26 -5.04 118.95 117.93 2nni s ARG 139 Ca -0.09 -0.46 -0.13 0.00 -0.13 0.00 0.00 55.73 54.92 2nni s ARG 139 Cb 0.17 -4.07 0.07 0.00 -1.56 0.00 0.00 34.95 29.56 2nni s ARG 139 CO 0.76 -1.41 0.91 -1.13 -0.81 0.00 0.00 175.30 173.62 2nni n SER 140 N 7.07 -0.14 -0.20 -2.12 3.41 -1.26 -4.84 113.62 115.55 2nni n SER 140 Ca -0.01 0.50 -0.09 0.00 -0.26 0.00 0.00 58.87 59.00 2nni n SER 140 Cb 0.47 -1.39 0.02 0.00 -0.26 0.00 0.00 64.21 63.04 2nni n SER 140 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2nni h ILE 141 N -1.17 1.27 -0.94 -1.33 2.04 -1.01 -2.76 117.51 113.61 2nni h ILE 141 Ca -0.45 -1.14 0.22 0.00 1.00 0.00 0.00 64.86 64.49 2nni h ILE 141 Cb 1.30 0.87 -0.12 0.00 -0.74 0.00 0.00 36.82 38.12 2nni h ILE 141 CO 0.42 0.41 0.48 -0.08 0.00 0.00 0.00 178.15 179.38 2nni h GLU 142 N 0.90 0.48 -0.18 2.37 4.81 -1.91 0.73 114.58 121.77 2nni h GLU 142 Ca 0.16 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 2nni h GLU 142 Cb 0.56 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2nni h GLU 142 CO 0.03 0.32 -0.10 0.22 -0.73 0.00 0.00 179.01 178.75 2nni h ASP 143 N 0.50 0.27 -0.19 1.04 3.58 -1.85 0.51 116.42 120.28 2nni h ASP 143 Ca 0.59 -0.05 -0.21 0.00 0.42 0.00 0.00 57.03 57.78 2nni h ASP 143 Cb 1.10 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 42.08 2nni h ASP 143 CO -0.49 0.41 -0.70 0.03 -2.88 0.00 0.00 179.24 175.60 2nni h ARG 144 N 0.27 0.81 -0.01 0.28 3.08 0.39 -1.85 114.38 117.35 2nni h ARG 144 Ca 0.06 -0.62 -0.00 0.00 0.07 0.00 0.00 59.98 59.49 2nni h ARG 144 Cb 0.36 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 2nni h ARG 144 CO 0.02 1.23 -0.00 0.28 -1.07 0.00 0.00 179.97 180.43 2nni h VAL 145 N 0.56 1.29 -0.88 2.04 2.07 -0.44 -1.96 116.25 118.93 2nni h VAL 145 Ca -0.03 -0.85 0.07 0.00 0.82 0.00 0.00 66.70 66.71 2nni h VAL 145 Cb 1.33 1.84 -0.07 0.00 -1.52 0.00 0.00 31.29 32.87 2nni h VAL 145 CO 0.15 0.22 0.54 1.56 0.02 0.00 0.00 177.57 180.06 2nni h GLN 146 N -0.34 0.94 -0.71 1.57 4.20 -0.03 0.25 115.11 120.99 2nni h GLN 146 Ca 0.00 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 2nni h GLN 146 Cb 0.36 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 2nni h GLN 146 CO 0.00 0.62 0.29 1.49 -0.67 0.00 0.00 178.83 180.56 2nni h GLU 147 N 0.96 1.06 -0.19 1.46 4.81 -1.29 -2.73 114.58 118.67 2nni h GLU 147 Ca 0.39 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 2nni h GLU 147 Cb 0.23 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2nni h GLU 147 CO -0.19 0.87 0.02 1.49 -0.73 0.00 0.00 179.01 180.47 2nni h GLU 148 N 1.02 0.32 -0.35 1.92 4.57 -0.33 -1.78 114.58 119.95 2nni h GLU 148 Ca 0.24 -0.09 0.10 0.00 -1.18 0.00 0.00 59.36 58.43 2nni h GLU 148 Cb 0.20 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2nni h GLU 148 CO -0.02 0.50 0.48 0.00 -1.18 0.00 0.00 179.01 178.78 2nni h ALA 149 N 0.81 1.99 0.38 2.92 0.00 -0.43 0.10 119.26 125.04 2nni h ALA 149 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2nni h ALA 149 Cb 0.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2nni h ALA 149 CO 0.01 -0.65 -0.18 1.25 0.00 0.00 0.00 179.25 179.67 2nni h HIS 150 N 0.00 -0.48 -0.52 0.00 -0.00 -1.03 -2.60 115.15 110.53 2nni h HIS 150 Ca 0.16 -0.01 0.12 0.00 -0.00 0.00 0.00 60.37 60.64 2nni h HIS 150 Cb 1.12 0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 28.66 2nni h HIS 150 CO 0.00 -0.30 0.36 0.00 -0.00 0.00 0.00 177.93 177.99 2nni h LEU 152 N 0.19 -0.35 -1.70 0.00 5.85 -1.06 -0.51 115.31 117.74 2nni h LEU 152 Ca 0.24 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.95 2nni h LEU 152 Cb 0.71 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 2nni h LEU 152 CO -0.04 -0.14 0.30 0.58 -0.34 0.00 0.00 178.44 178.80 2nni h VAL 153 N -0.54 0.97 -0.27 1.05 2.07 -0.81 -0.30 116.25 118.43 2nni h VAL 153 Ca -0.04 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 2nni h VAL 153 Cb 0.40 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2nni h VAL 153 CO 0.07 0.07 -0.15 -0.33 0.02 0.00 0.00 177.57 177.25 2nni h GLU 154 N 0.37 0.57 -0.69 1.57 3.07 -0.84 -2.21 114.58 116.42 2nni h GLU 154 Ca 0.19 -0.26 -0.04 0.00 -0.50 0.00 0.00 59.36 58.76 2nni h GLU 154 Cb 0.29 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 2nni h GLU 154 CO -0.05 0.83 0.29 0.93 -1.40 0.00 0.00 179.01 179.61 2nni h GLU 155 N 0.31 1.01 -0.20 2.33 4.39 -0.07 -2.40 114.58 119.95 2nni h GLU 155 Ca 0.06 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 2nni h GLU 155 Cb 0.67 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2nni h GLU 155 CO 0.04 0.81 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.53 2nni h LEU 156 N 0.99 0.29 -0.85 1.33 3.38 -0.97 -2.01 115.31 117.47 2nni h LEU 156 Ca 0.23 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 2nni h LEU 156 Cb 0.17 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2nni h LEU 156 CO -0.02 0.43 0.03 0.03 0.09 0.00 0.00 178.44 179.00 2nni h ARG 157 N 0.29 0.88 -0.38 1.13 3.08 -0.89 -2.59 114.38 115.90 2nni h ARG 157 Ca 0.06 -0.24 0.11 0.00 0.07 0.00 0.00 59.98 59.98 2nni h ARG 157 Cb 0.37 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2nni h ARG 157 CO 0.02 0.86 0.39 0.87 -1.07 0.00 0.00 179.97 181.04 2nni h LYS 158 N 0.82 0.00 0.00 0.04 1.57 -1.14 0.26 116.57 118.12 2nni h LYS 158 Ca 0.16 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2nni h LYS 158 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 2nni h LYS 158 CO 0.02 0.00 -0.00 1.79 -0.57 0.00 0.00 179.45 180.69 2nni h THR 159 N 0.00 0.01 -5.69 -0.16 1.35 -1.47 -3.47 112.91 103.48 2nni h THR 159 Ca 0.18 -0.38 -0.36 0.00 -0.55 0.00 0.00 66.41 65.30 2nni h THR 159 Cb 0.96 1.37 0.15 0.00 -1.73 0.00 0.00 68.15 68.91 2nni h THR 159 CO -0.00 0.00 -0.71 0.29 -0.25 0.00 0.00 175.52 174.85 2nni n LYS 160 N -3.09 -7.27 -0.43 4.72 5.02 0.91 -2.09 118.16 115.93 2nni n LYS 160 Ca -0.00 0.83 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 2nni n LYS 160 Cb 0.24 -5.83 0.00 0.00 -0.02 0.00 0.00 35.03 29.42 2nni n LYS 160 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nni n ALA 161 N -4.57 0.00 -1.77 7.82 0.00 -1.22 -4.93 120.51 115.84 2nni n ALA 161 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.92 2nni n ALA 161 Cb 0.61 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 2nni n ALA 161 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2nni s SER 162 N -2.04 6.93 0.44 0.00 1.04 -0.89 -4.35 113.70 114.83 2nni s SER 162 Ca 0.00 2.37 -0.24 0.00 0.48 0.00 0.00 55.95 58.56 2nni s SER 162 Cb 0.00 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.40 2nni s SER 162 CO 0.00 -0.39 1.06 -0.81 0.98 0.00 0.00 173.24 174.08 2nni n PRO 163 N 0.73 1.43 -3.75 4.02 -0.04 -1.26 -4.58 135.00 131.55 2nni n PRO 163 Ca 0.01 0.52 -0.06 0.00 -0.04 0.00 0.00 63.50 63.92 2nni n PRO 163 Cb 0.45 -2.13 -0.02 0.00 -0.04 0.00 0.00 33.50 31.76 2nni n PRO 163 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2nni s ASP 165 N -2.88 6.18 0.00 0.00 3.68 -1.26 0.84 116.67 123.23 2nni s ASP 165 Ca 0.10 -0.89 0.12 0.00 2.13 0.00 0.00 52.55 54.01 2nni s ASP 165 Cb -0.03 -2.22 0.67 0.00 -1.45 0.00 0.00 42.92 39.88 2nni s ASP 165 CO 0.02 -0.65 1.26 -0.81 0.13 0.00 0.00 175.17 175.12 2nni n PRO 166 N 5.58 0.25 -0.17 4.34 -0.04 -1.26 -4.15 135.00 139.55 2nni n PRO 166 Ca -0.09 0.11 -0.06 0.00 -0.04 0.00 0.00 63.50 63.43 2nni n PRO 166 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2nni n PRO 166 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2nni h THR 167 N 0.00 0.20 -0.13 0.52 2.02 -1.92 0.06 112.91 113.65 2nni h THR 167 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2nni h THR 167 Cb 0.07 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 2nni h THR 167 CO 0.00 0.00 0.02 0.15 0.37 0.00 0.00 175.52 176.06 2nni h PHE 168 N -0.18 0.24 0.16 3.16 3.57 -2.00 -1.96 116.94 119.92 2nni h PHE 168 Ca 0.22 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 2nni h PHE 168 Cb 0.54 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.22 2nni h PHE 168 CO -0.60 0.42 -0.08 0.82 -2.23 0.00 0.00 178.31 176.65 2nni h ILE 169 N -0.01 0.87 -0.16 1.41 2.04 -1.80 -2.30 117.51 117.57 2nni h ILE 169 Ca 0.04 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 65.84 2nni h ILE 169 Cb 0.31 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2nni h ILE 169 CO 0.00 0.02 0.13 -0.07 0.00 0.00 0.00 178.15 178.24 2nni h LEU 170 N -0.26 0.00 -0.04 1.44 4.07 -1.02 -2.14 115.31 117.36 2nni h LEU 170 Ca -0.02 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.71 2nni h LEU 170 Cb 0.20 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 2nni h LEU 170 CO 0.04 0.00 -1.05 1.23 -1.08 0.00 0.00 178.44 177.58 2nni h GLY 171 N 0.00 0.17 2.00 0.83 0.00 -0.94 -3.31 103.07 101.82 2nni h GLY 171 Ca 0.08 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 2nni h GLY 171 CO -0.00 0.34 -0.14 0.00 0.00 0.00 0.00 176.54 176.74 2nni h ALA 173 N 1.86 -0.48 -0.07 0.00 0.00 -1.64 -1.29 119.26 117.63 2nni h ALA 173 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2nni h ALA 173 Cb 0.31 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2nni h ALA 173 CO 0.02 -0.50 -0.03 -1.35 0.00 0.00 0.00 179.25 177.38 2nni h PRO 174 N -1.01 0.10 -0.00 0.00 0.11 -1.72 -0.29 132.00 129.20 2nni h PRO 174 Ca -0.05 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.88 2nni h PRO 174 Cb 0.50 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 2nni h PRO 174 CO 0.08 0.15 -0.80 0.00 -0.21 0.00 0.00 178.00 177.23 2nni h ASN 176 N 0.01 0.00 -0.61 0.00 -1.24 -0.25 -2.69 115.58 110.79 2nni h ASN 176 Ca -0.01 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 2nni h ASN 176 Cb 1.41 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.43 2nni h ASN 176 CO 0.11 0.86 0.31 0.58 -1.29 0.00 0.00 177.43 177.99 2nni h VAL 177 N 0.00 1.21 -0.10 2.57 2.07 -1.02 0.44 116.25 121.42 2nni h VAL 177 Ca -0.01 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2nni h VAL 177 Cb 1.62 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2nni h VAL 177 CO 0.11 0.23 0.02 0.40 0.02 0.00 0.00 177.57 178.36 2nni h ILE 178 N 0.83 1.20 -0.69 4.57 1.08 -1.52 -0.27 117.51 122.71 2nni h ILE 178 Ca 0.21 -0.61 0.14 0.00 -0.39 0.00 0.00 64.86 64.22 2nni h ILE 178 Cb 0.09 1.42 -0.10 0.00 -3.07 0.00 0.00 36.82 35.16 2nni h ILE 178 CO -0.03 0.17 0.15 0.00 -0.69 0.00 0.00 178.15 177.76 2nni h SER 180 N 0.26 0.10 0.73 0.00 0.87 -0.51 0.54 113.55 115.55 2nni h SER 180 Ca 0.38 -0.02 -0.26 0.00 -1.23 0.00 0.00 61.79 60.66 2nni h SER 180 Cb 0.61 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2nni h SER 180 CO -0.47 0.27 -1.21 0.58 -0.53 0.00 0.00 176.83 175.46 2nni h VAL 181 N 0.10 1.51 0.00 2.23 2.07 0.11 -3.23 116.25 119.04 2nni h VAL 181 Ca 0.02 -3.14 -0.17 0.00 0.82 0.00 0.00 66.70 64.23 2nni h VAL 181 Cb 0.34 2.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.94 2nni h VAL 181 CO 0.02 0.90 -2.08 1.33 0.02 0.00 0.00 177.57 177.76 2nni n VAL 182 N -3.44 0.64 -1.35 2.57 0.24 0.17 -0.79 118.33 116.37 2nni n VAL 182 Ca -0.07 -0.62 0.01 0.00 -2.04 0.00 0.00 64.34 61.63 2nni n VAL 182 Cb 1.00 -0.24 0.21 0.00 -1.47 0.00 0.00 33.84 33.33 2nni n VAL 182 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2nni n PHE 183 N -2.44 0.76 0.00 6.34 3.72 0.19 -3.70 117.46 122.34 2nni n PHE 183 Ca -0.17 -1.39 0.00 0.00 -0.05 0.00 0.00 57.45 55.84 2nni n PHE 183 Cb 0.81 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 2nni n PHE 183 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2nni n GLN 184 N -1.05 0.00 -3.46 -1.08 10.64 -1.22 -4.79 117.38 116.42 2nni n GLN 184 Ca 0.27 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 55.11 2nni n GLN 184 Cb 0.91 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 30.24 2nni n GLN 184 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 2nni s LYS 185 N 0.00 3.81 0.37 2.61 0.00 -1.26 -4.70 119.74 120.57 2nni s LYS 185 Ca 0.00 0.26 -0.12 0.00 0.00 0.00 0.00 55.97 56.11 2nni s LYS 185 Cb 0.00 -2.79 -0.07 0.00 0.00 0.00 0.00 37.83 34.97 2nni s LYS 185 CO 0.00 0.41 0.75 -0.98 0.00 0.00 0.00 175.35 175.53 2nni s ARG 186 N -2.46 3.85 0.66 1.78 1.70 -1.26 -4.17 118.95 119.04 2nni s ARG 186 Ca 0.42 0.52 -0.07 0.00 -0.47 0.00 0.00 55.73 56.14 2nni s ARG 186 Cb -0.13 -2.41 0.04 0.00 -0.57 0.00 0.00 34.95 31.88 2nni s ARG 186 CO 0.21 0.04 0.97 -0.06 -1.08 0.00 0.00 175.30 175.38 2nni s PHE 187 N -2.23 3.08 -0.09 5.89 0.40 -1.26 -5.02 117.98 118.76 2nni s PHE 187 Ca 0.52 0.56 -0.15 0.00 -0.60 0.00 0.00 56.93 57.27 2nni s PHE 187 Cb -0.10 -2.99 -0.05 0.00 0.51 0.00 0.00 43.02 40.39 2nni s PHE 187 CO 0.26 -1.14 0.36 0.34 0.70 0.00 0.00 175.22 175.74 2nni s ASP 188 N -4.42 6.62 0.46 1.36 -1.08 -1.26 -4.97 116.67 113.38 2nni s ASP 188 Ca 0.57 0.73 0.30 0.00 -0.52 0.00 0.00 52.55 53.63 2nni s ASP 188 Cb -0.11 -2.22 1.39 0.00 -1.46 0.00 0.00 42.92 40.52 2nni s ASP 188 CO 0.45 0.18 1.70 1.88 0.52 0.00 0.00 175.17 179.91 2nni h TYR 189 N 5.85 0.40 0.00 -5.34 0.99 -1.98 0.37 116.97 117.26 2nni h TYR 189 Ca -0.46 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.29 2nni h TYR 189 Cb 1.19 -0.11 0.00 0.00 1.00 0.00 0.00 36.73 38.81 2nni h TYR 189 CO 0.66 -0.06 -0.20 1.63 -0.00 0.00 0.00 178.16 180.18 2nni n LYS 190 N -4.49 0.26 -1.68 4.88 4.76 -1.26 -4.68 118.16 115.95 2nni n LYS 190 Ca 0.32 0.17 -0.46 0.00 -2.87 0.00 0.00 58.31 55.47 2nni n LYS 190 Cb 1.28 -1.76 -0.04 0.00 -1.84 0.00 0.00 35.03 32.68 2nni n LYS 190 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2nni n ASP 191 N -2.19 3.39 -0.19 4.39 4.64 0.13 -4.89 116.55 121.83 2nni n ASP 191 Ca 0.05 1.03 -0.04 0.00 -1.38 0.00 0.00 54.79 54.45 2nni n ASP 191 Cb 0.43 -1.43 0.06 0.00 -1.04 0.00 0.00 41.12 39.14 2nni n ASP 191 CO 0.00 0.00 0.00 -0.61 -0.82 0.00 0.00 177.20 175.77 2nni h GLN 192 N 7.41 0.58 -0.98 -0.67 5.75 -1.89 -2.47 115.11 122.84 2nni h GLN 192 Ca -0.46 -0.04 0.14 0.00 -0.15 0.00 0.00 58.65 58.15 2nni h GLN 192 Cb 1.25 -0.13 -0.09 0.00 1.07 0.00 0.00 27.48 29.59 2nni h GLN 192 CO 0.92 0.39 0.61 -0.91 -2.65 0.00 0.00 178.83 177.19 2nni h ASN 193 N 0.60 0.82 -0.01 -0.69 4.21 -1.95 0.16 115.58 118.72 2nni h ASN 193 Ca 0.24 0.06 -0.00 0.00 1.21 0.00 0.00 56.30 57.81 2nni h ASN 193 Cb 0.11 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.21 2nni h ASN 193 CO -0.15 0.40 -0.01 0.15 -1.29 0.00 0.00 177.43 176.54 2nni h PHE 194 N 0.86 0.03 -0.87 1.19 3.57 -1.78 -0.17 116.94 119.77 2nni h PHE 194 Ca 0.50 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 62.01 2nni h PHE 194 Cb 0.66 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 2nni h PHE 194 CO -0.00 0.42 0.58 -0.07 -2.23 0.00 0.00 178.31 177.01 2nni h LEU 195 N -0.37 1.00 -0.30 0.59 3.38 -0.93 -0.51 115.31 118.16 2nni h LEU 195 Ca 0.00 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 2nni h LEU 195 Cb 0.41 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2nni h LEU 195 CO 0.00 0.72 -0.27 0.74 0.09 0.00 0.00 178.44 179.73 2nni h THR 196 N 1.18 1.30 -0.76 0.22 2.02 -0.71 -0.74 112.91 115.41 2nni h THR 196 Ca 0.32 -1.42 0.10 0.00 0.77 0.00 0.00 66.41 66.17 2nni h THR 196 Cb -0.14 1.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 2nni h THR 196 CO -0.07 0.46 0.50 0.25 0.37 0.00 0.00 175.52 177.03 2nni h LEU 197 N 0.47 0.61 0.11 2.58 7.12 -0.60 -1.42 115.31 124.18 2nni h LEU 197 Ca 0.05 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.07 2nni h LEU 197 Cb 0.83 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.85 2nni h LEU 197 CO 0.07 0.36 -0.05 0.24 -0.13 0.00 0.00 178.44 178.93 2nni h MET 198 N 0.68 -0.14 -0.91 1.25 2.86 -0.85 -3.15 114.93 114.66 2nni h MET 198 Ca 0.35 0.01 0.20 0.00 -2.06 0.00 0.00 59.70 58.20 2nni h MET 198 Cb 0.46 0.03 -0.17 0.00 0.06 0.00 0.00 31.60 31.98 2nni h MET 198 CO -0.13 -0.09 -0.17 1.63 1.06 0.00 0.00 176.91 179.21 2nni n LYS 199 N -3.28 -0.08 -0.07 1.72 4.76 -0.31 -0.28 118.16 120.63 2nni n LYS 199 Ca -0.02 1.41 -0.04 0.00 -2.87 0.00 0.00 58.31 56.80 2nni n LYS 199 Cb 0.06 -2.14 -0.03 0.00 -1.84 0.00 0.00 35.03 31.08 2nni n LYS 199 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2nni h ARG 200 N 0.00 -0.08 -0.78 1.97 9.65 -1.37 0.30 114.38 124.07 2nni h ARG 200 Ca 0.47 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.36 2nni h ARG 200 Cb 0.78 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.34 2nni h ARG 200 CO -0.92 -0.05 0.50 0.74 2.80 0.00 0.00 179.97 183.04 2nni h PHE 201 N -0.08 1.00 0.09 2.20 0.05 -0.60 -2.66 116.94 116.94 2nni h PHE 201 Ca 0.03 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.83 2nni h PHE 201 Cb 0.16 -0.34 0.00 0.00 2.00 0.00 0.00 35.95 37.77 2nni h PHE 201 CO -0.74 0.64 -0.04 -0.97 -0.18 0.00 0.00 178.31 177.02 2nni h ASN 202 N 1.07 -0.10 -0.33 2.17 -0.00 0.40 0.11 115.58 118.89 2nni h ASN 202 Ca 0.29 -0.11 0.07 0.00 -0.00 0.00 0.00 56.30 56.55 2nni h ASN 202 Cb -0.10 0.03 -0.08 0.00 -0.00 0.00 0.00 38.32 38.17 2nni h ASN 202 CO -0.06 0.04 -0.20 -0.33 -0.00 0.00 0.00 177.43 176.88 2nni h GLU 203 N -0.24 -0.15 -0.43 6.67 5.08 -0.28 0.21 114.58 125.43 2nni h GLU 203 Ca -0.01 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2nni h GLU 203 Cb 0.20 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2nni h GLU 203 CO 0.02 -0.10 0.15 -0.91 -1.00 0.00 0.00 179.01 177.17 2nni h ASN 204 N -0.16 0.56 -0.22 1.42 4.21 -1.34 -0.47 115.58 119.58 2nni h ASN 204 Ca 0.17 -0.07 -0.01 0.00 1.21 0.00 0.00 56.30 57.60 2nni h ASN 204 Cb 0.42 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 2nni h ASN 204 CO -0.43 0.53 0.10 0.15 -1.29 0.00 0.00 177.43 176.50 2nni h PHE 205 N 0.61 0.32 -0.39 1.19 3.04 0.17 -1.18 116.94 120.71 2nni h PHE 205 Ca 0.15 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.04 2nni h PHE 205 Cb 0.16 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.56 2nni h PHE 205 CO 0.01 0.33 0.09 0.00 -2.02 0.00 0.00 178.31 176.72 2nni h ARG 206 N 0.22 0.62 0.39 1.11 3.08 -0.29 -2.29 114.38 117.22 2nni h ARG 206 Ca 0.08 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2nni h ARG 206 Cb 0.13 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2nni h ARG 206 CO -0.01 0.65 -0.29 0.82 -1.07 0.00 0.00 179.97 180.07 2nni h ILE 207 N 0.48 0.00 0.00 2.04 1.08 -0.97 -2.48 117.51 117.66 2nni h ILE 207 Ca 0.12 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.59 2nni h ILE 207 Cb 0.31 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.06 2nni h ILE 207 CO 0.00 0.00 0.02 0.18 -0.69 0.00 0.00 178.15 177.66 2nni n LEU 208 N -4.14 0.00 -0.97 1.44 4.77 -0.46 -1.53 117.00 116.11 2nni n LEU 208 Ca -0.08 0.14 0.08 0.00 -0.03 0.00 0.00 56.01 56.12 2nni n LEU 208 Cb 0.28 -0.14 0.25 0.00 -2.33 0.00 0.00 43.42 41.49 2nni n LEU 208 CO 0.18 -0.14 0.71 -3.20 -1.33 0.00 0.00 177.39 173.61 2nni n ASN 209 N -1.10 3.88 -4.82 -1.43 5.15 -0.86 -4.90 115.26 111.18 2nni n ASN 209 Ca 0.00 -2.73 -0.37 0.00 -0.60 0.00 0.00 54.58 50.88 2nni n ASN 209 Cb 0.02 -0.49 -0.06 0.00 -0.53 0.00 0.00 39.78 38.72 2nni n ASN 209 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2nni s SER 210 N -1.54 6.98 0.57 1.20 0.15 -0.59 -4.33 113.70 116.14 2nni s SER 210 Ca 0.39 1.23 0.29 0.00 0.70 0.00 0.00 55.95 58.57 2nni s SER 210 Cb 0.30 -2.35 1.46 0.00 -1.71 0.00 0.00 66.02 63.72 2nni s SER 210 CO 0.12 0.17 1.89 -0.65 1.20 0.00 0.00 173.24 175.97 2nni h PRO 211 N 3.97 0.00 0.00 5.44 0.11 -1.90 0.32 132.00 139.94 2nni h PRO 211 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2nni h PRO 211 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2nni h PRO 211 CO 0.65 0.00 -0.02 -1.49 -0.21 0.00 0.00 178.00 176.93 2nni h TRP 212 N 0.00 0.00 -0.55 0.65 4.06 -1.93 -2.48 115.95 115.69 2nni h TRP 212 Ca 0.29 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 61.13 2nni h TRP 212 Cb 1.37 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.51 2nni h TRP 212 CO 0.00 0.02 -0.10 0.82 -3.56 0.00 0.00 178.44 175.62 2nni h ILE 213 N 0.00 1.27 -0.81 1.49 1.08 -0.69 -0.85 117.51 119.00 2nni h ILE 213 Ca -0.00 -1.26 -0.04 0.00 -0.39 0.00 0.00 64.86 63.17 2nni h ILE 213 Cb 0.07 0.94 -0.04 0.00 -3.07 0.00 0.00 36.82 34.72 2nni h ILE 213 CO 0.00 0.45 0.36 1.56 -0.69 0.00 0.00 178.15 179.83 2nni h GLN 214 N 0.93 1.19 0.32 2.37 1.08 -1.58 -0.82 115.11 118.60 2nni h GLN 214 Ca 0.15 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 2nni h GLN 214 Cb 0.67 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2nni h GLN 214 CO 0.05 0.94 -0.16 0.28 -0.95 0.00 0.00 178.83 178.99 2nni h VAL 215 N 1.17 0.00 -1.03 -0.54 2.07 -1.53 -3.20 116.25 113.19 2nni h VAL 215 Ca 0.28 -0.15 0.29 0.00 0.82 0.00 0.00 66.70 67.94 2nni h VAL 215 Cb 0.17 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.89 2nni h VAL 215 CO -0.03 0.00 0.73 0.00 0.02 0.00 0.00 177.57 178.29 2nni h ASN 217 N 0.04 0.48 0.40 0.00 2.35 -1.19 -2.74 115.58 114.92 2nni h ASN 217 Ca 0.50 -0.21 -0.31 0.00 -0.55 0.00 0.00 56.30 55.73 2nni h ASN 217 Cb 1.90 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 40.09 2nni h ASN 217 CO -0.03 0.84 -1.79 0.59 -1.65 0.00 0.00 177.43 175.39 2nni n ASN 218 N -4.02 1.12 -3.58 5.81 3.02 -0.00 -4.39 115.26 113.21 2nni n ASN 218 Ca -0.02 0.36 -0.33 0.00 -0.03 0.00 0.00 54.58 54.57 2nni n ASN 218 Cb 0.51 -0.21 -0.04 0.00 -0.61 0.00 0.00 39.78 39.42 2nni n ASN 218 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2nni n PHE 219 N -3.13 3.19 -0.32 3.10 0.99 0.24 -4.77 117.46 116.75 2nni n PHE 219 Ca -0.20 -3.55 0.30 0.00 -0.00 0.00 0.00 57.45 53.99 2nni n PHE 219 Cb 1.05 -0.81 0.55 0.00 -1.00 0.00 0.00 39.48 39.28 2nni n PHE 219 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 2nni h PRO 220 N 4.49 0.01 -1.00 -1.08 0.11 -1.69 0.19 132.00 133.03 2nni h PRO 220 Ca 0.21 -0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.52 2nni h PRO 220 Cb 0.62 -0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.62 2nni h PRO 220 CO 1.02 0.01 0.61 -0.07 -0.21 0.00 0.00 178.00 179.36 2nni h LEU 221 N 0.01 0.73 0.00 2.35 4.07 -1.92 0.15 115.31 120.70 2nni h LEU 221 Ca 0.82 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.87 2nni h LEU 221 Cb 2.12 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.82 2nni h LEU 221 CO -0.78 0.25 0.00 0.18 -1.08 0.00 0.00 178.44 177.01 2nni n LEU 222 N -4.73 0.00 -0.05 1.67 4.32 0.68 -2.03 117.00 116.85 2nni n LEU 222 Ca 0.23 0.39 -0.14 0.00 -0.02 0.00 0.00 56.01 56.47 2nni n LEU 222 Cb 0.60 -0.39 -0.02 0.00 -1.62 0.00 0.00 43.42 42.00 2nni n LEU 222 CO 0.22 -0.28 0.42 0.40 -1.22 0.00 0.00 177.39 176.94 2nni h ILE 223 N 0.00 1.29 -0.27 -0.08 2.04 -0.85 -2.70 117.51 116.93 2nni h ILE 223 Ca 0.00 -1.78 0.08 0.00 1.00 0.00 0.00 64.86 64.16 2nni h ILE 223 Cb 0.10 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 2nni h ILE 223 CO 0.00 0.57 0.36 0.44 0.00 0.00 0.00 178.15 179.52 2nni h ASP 224 N 0.60 0.00 0.26 1.72 3.32 -1.56 0.37 116.42 121.13 2nni h ASP 224 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2nni h ASP 224 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2nni h ASP 224 CO 0.12 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.64 2nni n PHE 226 N -1.19 2.33 0.15 0.00 3.72 0.13 -4.96 117.46 117.64 2nni n PHE 226 Ca 0.12 -3.92 -0.15 0.00 -0.05 0.00 0.00 57.45 53.45 2nni n PHE 226 Cb 0.13 -0.46 -0.07 0.00 -0.94 0.00 0.00 39.48 38.14 2nni n PHE 226 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2nni h PRO 227 N 3.22 -0.66 0.57 -1.08 0.11 -1.75 -0.16 132.00 132.25 2nni h PRO 227 Ca 0.12 0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 2nni h PRO 227 Cb 0.71 0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 2nni h PRO 227 CO 0.68 -0.44 -0.43 0.78 -0.21 0.00 0.00 178.00 178.38 2nni h GLY 228 N -0.69 -1.20 0.36 -0.55 0.00 -1.95 -1.65 103.07 97.40 2nni h GLY 228 Ca 0.01 0.52 0.15 0.00 0.00 0.00 0.00 47.33 48.01 2nni h GLY 228 CO -0.19 -0.38 0.62 -0.84 0.00 0.00 0.00 176.54 175.75 2nni h THR 229 N -0.96 0.84 -0.06 4.70 2.02 -1.98 -1.49 112.91 115.98 2nni h THR 229 Ca -0.07 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2nni h THR 229 Cb 0.80 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2nni h THR 229 CO 0.02 0.16 0.03 -0.74 0.37 0.00 0.00 175.52 175.36 2nni h HIS 230 N 0.88 0.06 -0.49 3.16 6.17 -0.80 -2.55 115.15 121.58 2nni h HIS 230 Ca 0.52 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.59 2nni h HIS 230 Cb 0.66 -0.02 -0.02 0.00 2.52 0.00 0.00 27.41 30.55 2nni h HIS 230 CO -0.00 0.04 0.27 -0.91 0.71 0.00 0.00 177.93 178.03 2nni h ASN 231 N 0.07 0.62 -0.09 3.26 2.35 -0.33 -2.78 115.58 118.68 2nni h ASN 231 Ca 0.02 -0.09 0.04 0.00 -0.55 0.00 0.00 56.30 55.72 2nni h ASN 231 Cb 0.00 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.17 2nni h ASN 231 CO -0.02 0.53 -0.15 0.50 -1.65 0.00 0.00 177.43 176.64 2nni h LYS 232 N 0.65 -0.20 -0.14 0.81 3.64 -1.19 0.15 116.57 120.30 2nni h LYS 232 Ca 0.17 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.61 2nni h LYS 232 Cb 0.05 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.85 2nni h LYS 232 CO -0.03 -0.13 -0.38 0.28 -2.27 0.00 0.00 179.45 176.92 2nni h VAL 233 N -0.20 0.19 -0.59 2.00 2.07 -1.37 0.36 116.25 118.70 2nni h VAL 233 Ca 0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 2nni h VAL 233 Cb 0.32 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 2nni h VAL 233 CO -0.21 0.00 0.35 -0.07 0.02 0.00 0.00 177.57 177.65 2nni h LEU 234 N -0.45 0.71 -0.14 2.57 3.38 -1.27 -1.60 115.31 118.51 2nni h LEU 234 Ca 0.09 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2nni h LEU 234 Cb 0.60 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2nni h LEU 234 CO -0.39 0.56 0.02 0.50 0.09 0.00 0.00 178.44 179.22 2nni h LYS 235 N 0.82 0.23 -0.79 1.13 3.64 0.20 0.25 116.57 122.04 2nni h LYS 235 Ca 0.21 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2nni h LYS 235 Cb -0.02 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 2nni h LYS 235 CO -0.04 0.42 0.50 -0.91 -2.27 0.00 0.00 179.45 177.14 2nni h ASN 236 N 0.00 0.93 -0.49 4.20 2.35 -0.68 0.12 115.58 122.02 2nni h ASN 236 Ca 0.04 -0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 2nni h ASN 236 Cb 0.30 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2nni h ASN 236 CO 0.00 0.70 -0.16 0.58 -1.65 0.00 0.00 177.43 176.90 2nni h VAL 237 N 1.09 1.27 0.45 2.81 2.07 -0.98 -1.20 116.25 121.75 2nni h VAL 237 Ca 0.29 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 2nni h VAL 237 Cb -0.08 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2nni h VAL 237 CO -0.06 0.46 -0.22 0.00 0.02 0.00 0.00 177.57 177.77 2nni h ALA 238 N 0.88 -0.60 -0.44 1.67 0.00 0.20 -2.26 119.26 118.71 2nni h ALA 238 Ca 0.12 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.92 2nni h ALA 238 Cb 0.73 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 2nni h ALA 238 CO 0.06 -0.73 0.09 -0.07 0.00 0.00 0.00 179.25 178.60 2nni h LEU 239 N -0.83 0.01 -0.10 0.00 3.38 -0.81 -2.26 115.31 114.71 2nni h LEU 239 Ca -0.06 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2nni h LEU 239 Cb 0.56 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 2nni h LEU 239 CO 0.10 0.04 -0.20 0.74 0.09 0.00 0.00 178.44 179.22 2nni h THR 240 N 0.23 0.51 -1.00 0.22 2.02 -1.20 -1.29 112.91 112.40 2nni h THR 240 Ca 0.22 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.60 2nni h THR 240 Cb 0.27 0.51 -0.11 0.00 -1.74 0.00 0.00 68.15 67.08 2nni h THR 240 CO -0.28 0.00 0.61 0.03 0.37 0.00 0.00 175.52 176.25 2nni h ARG 241 N -0.26 0.70 0.93 6.66 3.08 -0.84 -0.74 114.38 123.91 2nni h ARG 241 Ca 0.09 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 2nni h ARG 241 Cb 0.39 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.29 2nni h ARG 241 CO -0.25 0.47 -0.45 0.77 -1.07 0.00 0.00 179.97 179.43 2nni h SER 242 N 0.72 -1.06 -0.80 7.04 0.02 -0.80 -0.79 113.55 117.89 2nni h SER 242 Ca 0.59 0.03 0.18 0.00 -0.84 0.00 0.00 61.79 61.76 2nni h SER 242 Cb 0.97 0.27 -0.12 0.00 0.14 0.00 0.00 62.40 63.67 2nni h SER 242 CO -0.40 -0.74 0.24 0.22 -1.14 0.00 0.00 176.83 175.01 2nni h TYR 243 N -1.29 0.38 0.27 3.45 3.20 -0.41 0.36 116.97 122.92 2nni h TYR 243 Ca -0.13 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 2nni h TYR 243 Cb 0.96 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.19 2nni h TYR 243 CO -0.00 -0.09 -0.13 0.82 -1.64 0.00 0.00 178.16 177.12 2nni h ILE 244 N 0.30 0.77 -0.82 1.81 2.04 -1.04 -0.42 117.51 120.15 2nni h ILE 244 Ca 0.47 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 66.19 2nni h ILE 244 Cb 0.84 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.75 2nni h ILE 244 CO -0.53 0.05 0.47 0.03 0.00 0.00 0.00 178.15 178.16 2nni h ARG 245 N -0.48 0.78 -0.51 2.37 3.08 0.40 0.59 114.38 120.61 2nni h ARG 245 Ca -0.04 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.98 2nni h ARG 245 Cb 0.36 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 2nni h ARG 245 CO 0.06 0.51 0.32 0.93 -1.07 0.00 0.00 179.97 180.72 2nni h GLU 246 N 0.80 0.62 0.00 0.04 5.08 -0.18 -2.05 114.58 118.88 2nni h GLU 246 Ca 0.39 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.65 2nni h GLU 246 Cb 0.33 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2nni h GLU 246 CO -0.24 0.41 -0.30 -0.22 -1.00 0.00 0.00 179.01 177.66 2nni h LYS 247 N 0.64 0.00 0.01 2.33 1.63 0.81 -3.03 116.57 118.96 2nni h LYS 247 Ca 0.20 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.81 2nni h LYS 247 Cb -0.02 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 2nni h LYS 247 CO -0.07 0.30 -0.89 -0.24 -3.45 0.00 0.00 179.45 175.10 2nni h VAL 248 N 0.00 1.55 -0.39 2.00 3.04 0.71 -3.05 116.25 120.11 2nni h VAL 248 Ca -0.00 -2.79 -0.11 0.00 -1.01 0.00 0.00 66.70 62.79 2nni h VAL 248 Cb 0.71 2.55 -0.02 0.00 -2.01 0.00 0.00 31.29 32.52 2nni h VAL 248 CO 0.04 0.81 -0.19 0.11 -1.01 0.00 0.00 177.57 177.33 2nni h LYS 249 N 0.05 0.75 -0.62 4.17 1.57 -1.27 -1.28 116.57 119.94 2nni h LYS 249 Ca -0.03 -0.28 0.04 0.00 -1.87 0.00 0.00 60.65 58.51 2nni h LYS 249 Cb 1.53 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.75 2nni h LYS 249 CO 0.13 0.88 0.35 0.93 -0.57 0.00 0.00 179.45 181.17 2nni h GLU 250 N 0.66 0.66 -0.52 3.15 5.08 -1.50 -1.08 114.58 121.04 2nni h GLU 250 Ca 0.10 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2nni h GLU 250 Cb 0.68 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2nni h GLU 250 CO 0.05 0.44 0.22 0.45 -1.00 0.00 0.00 179.01 179.16 2nni h HIS 251 N 0.68 0.78 0.50 4.33 3.86 -1.31 -3.16 115.15 120.83 2nni h HIS 251 Ca 0.26 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.40 2nni h HIS 251 Cb 0.11 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 2nni h HIS 251 CO -0.07 0.63 -0.34 1.96 0.86 0.00 0.00 177.93 180.97 2nni h GLN 252 N 0.70 -0.79 -3.23 2.45 4.20 -0.58 -1.83 115.11 116.03 2nni h GLN 252 Ca 0.17 0.05 -0.42 0.00 0.06 0.00 0.00 58.65 58.52 2nni h GLN 252 Cb 0.18 0.18 0.01 0.00 0.30 0.00 0.00 27.48 28.15 2nni h GLN 252 CO -0.02 -0.52 2.61 0.00 -0.67 0.00 0.00 178.83 180.23 2nni n ALA 253 N -2.58 5.33 0.00 3.87 0.00 -0.47 -1.75 120.51 124.92 2nni n ALA 253 Ca -0.11 -2.25 0.00 0.00 0.00 0.00 0.00 53.44 51.08 2nni n ALA 253 Cb 0.37 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 16.81 2nni n ALA 253 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2nni n SER 254 N 3.90 0.00 -4.68 0.00 3.41 -1.16 -4.94 113.62 110.16 2nni n SER 254 Ca 0.50 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.69 2nni n SER 254 Cb 0.20 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 2nni n SER 254 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2nni s LEU 255 N 0.00 4.37 -0.62 1.04 2.96 -0.70 -4.95 118.68 120.77 2nni s LEU 255 Ca 0.00 2.50 -0.05 0.00 -0.22 0.00 0.00 54.13 56.36 2nni s LEU 255 Cb 0.00 -3.56 0.16 0.00 0.50 0.00 0.00 46.19 43.29 2nni s LEU 255 CO 0.00 -0.92 0.46 -0.62 -1.32 0.00 0.00 176.35 173.95 2nni s ASP 256 N 2.72 5.51 0.53 3.68 3.68 -1.26 -4.96 116.67 126.57 2nni s ASP 256 Ca 0.76 -2.67 0.40 0.00 2.13 0.00 0.00 52.55 53.16 2nni s ASP 256 Cb -0.40 -1.92 1.58 0.00 -1.45 0.00 0.00 42.92 40.73 2nni s ASP 256 CO 0.33 -0.44 1.70 1.62 0.13 0.00 0.00 175.17 178.50 2nni h VAL 257 N 5.38 0.23 0.00 1.11 3.04 -1.98 -2.26 116.25 121.77 2nni h VAL 257 Ca -0.03 -0.01 -0.09 0.00 -1.01 0.00 0.00 66.70 65.56 2nni h VAL 257 Cb 0.98 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.44 2nni h VAL 257 CO 0.73 0.01 -0.43 0.78 -1.01 0.00 0.00 177.57 177.65 2nni h ASN 258 N 0.04 0.00 -2.26 3.17 2.35 -2.03 -3.41 115.58 113.44 2nni h ASN 258 Ca 0.74 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 56.13 2nni h ASN 258 Cb 2.80 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 40.83 2nni h ASN 258 CO -0.08 0.43 -0.66 0.54 -1.65 0.00 0.00 177.43 176.01 2nni s ASN 259 N -6.46 1.96 0.48 5.81 2.20 -0.85 -5.08 114.94 113.00 2nni s ASN 259 Ca 0.01 -0.82 -0.23 0.00 -0.94 0.00 0.00 52.86 50.88 2nni s ASN 259 Cb 0.10 0.37 -0.07 0.00 -2.00 0.00 0.00 41.25 39.65 2nni s ASN 259 CO 0.71 -0.39 1.29 -2.84 -2.94 0.00 0.00 177.10 172.92 2nni s PRO 260 N 2.32 3.56 -0.14 3.55 0.02 -1.26 -4.71 135.00 138.34 2nni s PRO 260 Ca 0.09 2.09 -0.08 0.00 0.02 0.00 0.00 61.00 63.13 2nni s PRO 260 Cb -0.14 -2.45 -0.25 0.00 0.02 0.00 0.00 34.50 31.68 2nni s PRO 260 CO -0.33 -0.81 0.32 0.54 -0.33 0.00 0.00 177.00 176.39 2nni n ARG 261 N -0.54 0.73 0.00 5.54 1.74 -1.25 -4.00 116.66 118.88 2nni n ARG 261 Ca 0.07 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 2nni n ARG 261 Cb 0.45 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2nni n ARG 261 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2nni n ASP 262 N -3.58 0.00 -0.11 0.55 3.85 -1.26 -4.65 116.55 111.35 2nni n ASP 262 Ca -0.33 0.00 -0.13 0.00 -0.71 0.00 0.00 54.79 53.62 2nni n ASP 262 Cb 1.01 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.75 2nni n ASP 262 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 2nni h PHE 263 N 0.00 1.01 -0.67 2.11 3.57 -1.12 -3.05 116.94 118.78 2nni h PHE 263 Ca 0.00 -0.29 -0.00 0.00 3.53 0.00 0.00 57.97 61.20 2nni h PHE 263 Cb 0.00 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 2nni h PHE 263 CO 0.00 1.09 0.40 0.82 -2.23 0.00 0.00 178.31 178.39 2nni h ILE 264 N 0.64 1.19 0.06 1.41 2.04 -1.82 -1.99 117.51 119.04 2nni h ILE 264 Ca 0.06 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.50 2nni h ILE 264 Cb 0.90 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2nni h ILE 264 CO 0.08 0.20 -0.15 0.44 0.00 0.00 0.00 178.15 178.72 2nni h ASP 265 N 0.91 -0.42 -0.96 1.72 3.32 -1.87 0.90 116.42 120.02 2nni h ASP 265 Ca 0.24 0.05 0.12 0.00 0.02 0.00 0.00 57.03 57.47 2nni h ASP 265 Cb -0.03 0.17 -0.08 0.00 0.22 0.00 0.00 39.33 39.61 2nni h ASP 265 CO -0.05 -0.22 0.61 0.00 -1.72 0.00 0.00 179.24 177.87 2nni h PHE 267 N 0.91 0.04 -0.73 0.00 3.57 -0.82 -1.77 116.94 118.13 2nni h PHE 267 Ca 0.47 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 62.08 2nni h PHE 267 Cb 0.52 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.17 2nni h PHE 267 CO -0.00 0.51 0.33 -0.07 -2.23 0.00 0.00 178.31 176.85 2nni h LEU 268 N -0.45 0.38 -0.19 0.59 3.38 -0.18 0.37 115.31 119.21 2nni h LEU 268 Ca 0.00 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2nni h LEU 268 Cb 0.50 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2nni h LEU 268 CO 0.00 0.19 0.11 0.40 0.09 0.00 0.00 178.44 179.23 2nni h ILE 269 N 0.53 1.10 -0.50 1.22 1.08 -0.95 -1.05 117.51 118.94 2nni h ILE 269 Ca 0.38 -0.27 0.03 0.00 -0.39 0.00 0.00 64.86 64.61 2nni h ILE 269 Cb 0.49 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 2nni h ILE 269 CO -0.33 0.10 0.29 0.50 -0.69 0.00 0.00 178.15 178.02 2nni h LYS 270 N 0.21 0.57 -0.58 2.37 1.63 -0.29 -1.54 116.57 118.93 2nni h LYS 270 Ca 0.07 -0.03 0.09 0.00 -0.85 0.00 0.00 60.65 59.92 2nni h LYS 270 Cb 0.06 -0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 31.49 2nni h LYS 270 CO -0.01 0.37 0.22 0.52 -3.45 0.00 0.00 179.45 177.10 2nni h MET 271 N 0.58 0.39 -0.54 1.90 2.86 0.01 -2.23 114.93 117.90 2nni h MET 271 Ca 0.20 -0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.92 2nni h MET 271 Cb 0.03 -0.09 -0.11 0.00 0.06 0.00 0.00 31.60 31.49 2nni h MET 271 CO -0.10 0.26 -0.28 1.49 1.06 0.00 0.00 176.91 179.34 2nni h GLU 272 N 0.40 -0.14 -0.38 1.72 4.57 -0.15 -1.57 114.58 119.03 2nni h GLU 272 Ca 0.29 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.54 2nni h GLU 272 Cb 0.34 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.91 2nni h GLU 272 CO -0.29 -0.09 0.06 1.96 -1.18 0.00 0.00 179.01 179.47 2nni h GLN 273 N -0.14 0.17 0.00 1.92 4.20 -1.13 -1.47 115.11 118.66 2nni h GLN 273 Ca 0.24 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2nni h GLN 273 Cb 0.52 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2nni h GLN 273 CO -0.63 0.11 0.00 0.39 -0.67 0.00 0.00 178.83 178.04 2nni n GLU 274 N -5.12 0.61 -0.09 1.46 -0.58 -0.76 -4.38 120.64 111.79 2nni n GLU 274 Ca 0.02 0.02 0.07 0.00 -0.42 0.00 0.00 57.16 56.85 2nni n GLU 274 Cb 0.18 -1.50 0.13 0.00 -0.57 0.00 0.00 31.44 29.68 2nni n GLU 274 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2nni n LYS 275 N -1.07 -0.02 -0.02 3.49 4.81 -0.55 -0.15 118.16 124.64 2nni n LYS 275 Ca 0.15 0.38 -0.18 0.00 -0.87 0.00 0.00 58.31 57.79 2nni n LYS 275 Cb 0.10 -0.65 -0.13 0.00 0.02 0.00 0.00 35.03 34.36 2nni n LYS 275 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2nni h ASP 276 N 0.00 0.22 -1.47 3.14 3.32 -1.84 -3.44 116.42 116.34 2nni h ASP 276 Ca 0.21 -0.89 -0.52 0.00 0.02 0.00 0.00 57.03 55.84 2nni h ASP 276 Cb 0.52 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2nni h ASP 276 CO -0.22 1.31 1.59 -3.20 -1.72 0.00 0.00 179.24 177.00 2nni n ASN 277 N -4.30 2.32 0.00 6.45 5.15 0.79 -4.79 115.26 120.88 2nni n ASN 277 Ca -0.17 -0.15 0.12 0.00 -0.60 0.00 0.00 54.58 53.77 2nni n ASN 277 Cb 0.70 -1.47 0.67 0.00 -0.53 0.00 0.00 39.78 39.14 2nni n ASN 277 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2nni n GLN 278 N 8.80 0.60 -0.12 1.20 -0.06 -1.26 -2.41 117.38 124.12 2nni n GLN 278 Ca 0.39 0.02 0.04 0.00 -2.00 0.00 0.00 57.00 55.45 2nni n GLN 278 Cb 0.43 -1.50 0.10 0.00 -4.06 0.00 0.00 30.24 25.21 2nni n GLN 278 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2nni n LYS 279 N -1.10 2.89 -2.30 3.69 4.76 -1.26 -5.02 118.16 119.82 2nni n LYS 279 Ca 0.16 -1.90 -0.40 0.00 -2.87 0.00 0.00 58.31 53.29 2nni n LYS 279 Cb 0.12 -1.20 -0.03 0.00 -1.84 0.00 0.00 35.03 32.07 2nni n LYS 279 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2nni s SER 280 N -1.07 7.00 0.30 4.39 0.15 -1.01 -4.95 113.70 118.51 2nni s SER 280 Ca 0.16 2.46 0.08 0.00 0.70 0.00 0.00 55.95 59.35 2nni s SER 280 Cb 0.09 -2.64 0.45 0.00 -1.71 0.00 0.00 66.02 62.22 2nni s SER 280 CO 0.10 -0.35 1.69 -0.33 1.20 0.00 0.00 173.24 175.55 2nni h GLU 281 N 3.54 0.16 -5.73 5.44 4.39 -1.95 -3.41 114.58 117.02 2nni h GLU 281 Ca -0.48 -0.08 -0.35 0.00 0.34 0.00 0.00 59.36 58.79 2nni h GLU 281 Cb 1.22 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.82 2nni h GLU 281 CO 0.66 0.60 0.91 -0.06 -1.16 0.00 0.00 179.01 179.96 2nni s PHE 282 N -4.01 1.94 0.18 4.33 0.08 -1.26 -4.56 117.98 114.68 2nni s PHE 282 Ca -0.04 0.37 0.02 0.00 0.12 0.00 0.00 56.93 57.40 2nni s PHE 282 Cb 0.13 -4.14 -0.05 0.00 -0.57 0.00 0.00 43.02 38.40 2nni s PHE 282 CO 0.77 -1.69 0.00 0.54 -0.10 0.00 0.00 175.22 174.74 2nni s ASN 283 N 7.33 1.24 0.29 1.36 2.20 -1.26 -4.64 114.94 121.47 2nni s ASN 283 Ca 0.66 -1.18 0.18 0.00 -0.94 0.00 0.00 52.86 51.58 2nni s ASN 283 Cb -0.05 0.11 0.97 0.00 -2.00 0.00 0.00 41.25 40.29 2nni s ASN 283 CO 0.00 -0.57 1.52 -0.38 -2.94 0.00 0.00 177.10 174.73 2nni n ILE 284 N -0.26 1.00 0.05 0.54 2.08 -1.26 -2.34 119.36 119.17 2nni n ILE 284 Ca -0.06 0.72 -0.20 0.00 0.56 0.00 0.00 62.75 63.77 2nni n ILE 284 Cb 0.63 -1.72 -0.14 0.00 -0.75 0.00 0.00 39.64 37.66 2nni n ILE 284 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2nni h GLU 285 N 0.00 0.31 0.00 0.38 4.39 -1.95 -2.82 114.58 114.89 2nni h GLU 285 Ca 0.00 -0.51 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 2nni h GLU 285 Cb 0.15 0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2nni h GLU 285 CO 0.00 1.23 -0.03 -0.91 -1.16 0.00 0.00 179.01 178.14 2nni h ASN 286 N -0.34 0.00 -0.05 1.42 2.35 -1.71 -2.37 115.58 114.88 2nni h ASN 286 Ca -0.14 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 2nni h ASN 286 Cb 1.61 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.98 2nni h ASN 286 CO 0.15 0.03 -0.05 0.25 -1.65 0.00 0.00 177.43 176.16 2nni h LEU 287 N 0.00 0.14 -1.68 1.61 5.85 -1.56 0.95 115.31 120.62 2nni h LEU 287 Ca -0.00 -0.49 -0.04 0.00 0.84 0.00 0.00 57.88 58.19 2nni h LEU 287 Cb 0.77 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2nni h LEU 287 CO 0.00 0.60 -0.19 0.58 -0.34 0.00 0.00 178.44 179.10 2nni h VAL 288 N -0.32 0.89 0.25 1.05 2.07 -1.45 -1.86 116.25 116.88 2nni h VAL 288 Ca 0.01 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 2nni h VAL 288 Cb 0.56 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2nni h VAL 288 CO 0.01 0.19 -0.12 1.23 0.02 0.00 0.00 177.57 178.90 2nni h GLY 289 N 0.82 -0.35 1.00 2.17 0.00 -0.99 -2.79 103.07 102.93 2nni h GLY 289 Ca -0.00 0.13 0.11 0.00 0.00 0.00 0.00 47.33 47.57 2nni h GLY 289 CO 0.02 -0.13 0.40 -0.84 0.00 0.00 0.00 176.54 176.00 2nni h THR 290 N -1.05 0.86 0.40 4.70 2.02 0.97 0.17 112.91 120.98 2nni h THR 290 Ca -0.03 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 2nni h THR 290 Cb 0.35 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 2nni h THR 290 CO 0.06 0.06 -0.19 0.58 0.37 0.00 0.00 175.52 176.40 2nni h VAL 291 N 0.35 0.54 -0.52 3.16 2.07 -1.44 -1.54 116.25 118.87 2nni h VAL 291 Ca 0.28 -0.50 0.10 0.00 0.82 0.00 0.00 66.70 67.40 2nni h VAL 291 Cb 0.63 0.76 -0.09 0.00 -1.52 0.00 0.00 31.29 31.07 2nni h VAL 291 CO -0.07 0.08 -0.05 0.00 0.02 0.00 0.00 177.57 177.55 2nni h ALA 292 N -0.42 0.44 -0.72 1.67 0.00 -1.01 0.85 119.26 120.07 2nni h ALA 292 Ca -0.05 0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.13 2nni h ALA 292 Cb 0.54 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 2nni h ALA 292 CO 0.09 -0.41 0.35 -0.44 0.00 0.00 0.00 179.25 178.84 2nni h ASP 293 N 0.07 0.45 -0.81 0.00 3.45 -0.63 -2.22 116.42 116.73 2nni h ASP 293 Ca 0.26 0.06 0.11 0.00 0.43 0.00 0.00 57.03 57.89 2nni h ASP 293 Cb 0.40 -0.01 -0.08 0.00 -0.56 0.00 0.00 39.33 39.08 2nni h ASP 293 CO -0.48 0.25 0.44 -0.07 -1.57 0.00 0.00 179.24 177.82 2nni h LEU 294 N 0.59 0.60 0.42 1.55 3.38 0.24 0.68 115.31 122.77 2nni h LEU 294 Ca 0.36 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.37 2nni h LEU 294 Cb 0.39 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2nni h LEU 294 CO -0.28 0.32 -0.20 -0.26 0.09 0.00 0.00 178.44 178.12 2nni h PHE 295 N 0.72 -0.52 -0.48 1.13 -1.00 -1.19 -1.21 116.94 114.40 2nni h PHE 295 Ca 0.41 -0.01 0.10 0.00 2.81 0.00 0.00 57.97 61.27 2nni h PHE 295 Cb 0.44 0.17 -0.09 0.00 3.61 0.00 0.00 35.95 40.07 2nni h PHE 295 CO -0.08 -0.20 -0.15 0.28 -1.61 0.00 0.00 178.31 176.55 2nni h VAL 296 N -0.84 0.46 0.00 -0.55 2.07 -0.86 0.87 116.25 117.40 2nni h VAL 296 Ca -0.06 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 2nni h VAL 296 Cb 0.55 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2nni h VAL 296 CO 0.09 0.00 -0.46 0.00 0.02 0.00 0.00 177.57 177.22 2nni h ALA 297 N 1.38 0.89 0.00 1.67 0.00 0.33 -3.37 119.26 120.17 2nni h ALA 297 Ca 0.23 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2nni h ALA 297 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2nni h ALA 297 CO -0.51 0.58 0.00 0.41 0.00 0.00 0.00 179.25 179.73 2nni n GLY 298 N 0.48 2.22 0.04 0.00 0.00 -0.46 -4.65 105.19 102.83 2nni n GLY 298 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2nni n GLY 298 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2nni n THR 299 N -0.42 0.75 -0.21 2.61 -1.04 0.26 -4.17 114.28 112.05 2nni n THR 299 Ca 0.00 0.33 -0.07 0.00 -2.04 0.00 0.00 64.05 62.27 2nni n THR 299 Cb 0.24 -1.94 0.03 0.00 -1.82 0.00 0.00 70.33 66.84 2nni n THR 299 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2nni h GLU 300 N -0.51 0.88 -0.09 -2.82 4.57 -1.77 -1.07 114.58 113.76 2nni h GLU 300 Ca 0.00 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 58.06 2nni h GLU 300 Cb 0.41 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 2nni h GLU 300 CO 0.00 0.72 -0.05 1.79 -1.18 0.00 0.00 179.01 180.29 2nni h THR 301 N 0.82 0.83 0.05 0.32 1.35 -1.83 0.11 112.91 114.57 2nni h THR 301 Ca 0.20 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.06 2nni h THR 301 Cb 0.15 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 2nni h THR 301 CO -0.02 0.00 -0.03 0.74 -0.25 0.00 0.00 175.52 175.96 2nni h THR 302 N -0.05 1.03 -0.67 6.82 2.02 -1.70 -2.05 112.91 118.31 2nni h THR 302 Ca 0.05 -0.28 0.12 0.00 0.77 0.00 0.00 66.41 67.07 2nni h THR 302 Cb 0.13 1.22 -0.09 0.00 -1.74 0.00 0.00 68.15 67.68 2nni h THR 302 CO -0.12 0.07 0.23 -1.28 0.37 0.00 0.00 175.52 174.79 2nni h SER 303 N -0.20 0.19 0.86 4.18 0.87 -0.99 0.42 113.55 118.89 2nni h SER 303 Ca -0.01 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 2nni h SER 303 Cb 0.17 0.09 0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2nni h SER 303 CO 0.01 0.09 -0.41 0.74 -0.53 0.00 0.00 176.83 176.73 2nni h THR 304 N 0.39 0.13 -0.92 2.23 2.02 -0.55 -0.46 112.91 115.75 2nni h THR 304 Ca 0.35 -0.04 0.15 0.00 0.77 0.00 0.00 66.41 67.64 2nni h THR 304 Cb 0.50 0.14 -0.09 0.00 -1.74 0.00 0.00 68.15 66.96 2nni h THR 304 CO -0.37 0.00 0.52 0.74 0.37 0.00 0.00 175.52 176.78 2nni h THR 305 N -1.19 0.78 0.69 3.16 2.02 -1.10 0.43 112.91 117.69 2nni h THR 305 Ca -0.12 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 2nni h THR 305 Cb 0.89 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2nni h THR 305 CO 0.19 0.14 -0.41 -0.07 0.37 0.00 0.00 175.52 175.74 2nni h LEU 306 N 0.75 -1.02 -1.33 2.58 3.38 -0.68 0.60 115.31 119.59 2nni h LEU 306 Ca 0.49 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.62 2nni h LEU 306 Cb 0.66 0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.64 2nni h LEU 306 CO -0.34 -0.64 0.53 -0.09 0.09 0.00 0.00 178.44 177.99 2nni h ARG 307 N -1.03 0.71 -0.35 1.13 2.43 -0.20 -0.36 114.38 116.72 2nni h ARG 307 Ca -0.09 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.88 2nni h ARG 307 Cb 0.82 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2nni h ARG 307 CO 0.10 0.47 -0.42 -0.92 -1.51 0.00 0.00 179.97 177.68 2nni h TYR 308 N 0.73 1.09 -0.47 2.20 -0.00 0.27 -2.89 116.97 117.91 2nni h TYR 308 Ca 0.38 -0.35 0.00 0.00 -0.00 0.00 0.00 58.73 58.76 2nni h TYR 308 Cb 0.49 -0.22 -0.02 0.00 -0.00 0.00 0.00 36.73 36.98 2nni h TYR 308 CO -0.00 1.17 0.30 0.78 -0.00 0.00 0.00 178.16 180.41 2nni h GLY 309 N 0.70 0.66 1.02 1.82 0.00 0.19 -2.05 103.07 105.41 2nni h GLY 309 Ca 0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 2nni h GLY 309 CO 0.10 0.25 0.25 1.41 0.00 0.00 0.00 176.54 178.55 2nni h LEU 310 N 0.63 0.95 -0.82 3.11 3.38 -1.32 -1.09 115.31 120.14 2nni h LEU 310 Ca 0.17 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.04 2nni h LEU 310 Cb -0.05 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.39 2nni h LEU 310 CO -0.03 0.88 0.48 0.25 0.09 0.00 0.00 178.44 180.10 2nni h LEU 311 N 0.97 0.70 -0.79 1.67 5.85 -1.24 0.10 115.31 122.58 2nni h LEU 311 Ca 0.22 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.86 2nni h LEU 311 Cb 0.24 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2nni h LEU 311 CO -0.01 0.42 -0.52 -0.07 -0.34 0.00 0.00 178.44 177.91 2nni h LEU 312 N 0.82 0.25 -0.64 2.25 3.38 -0.98 -0.64 115.31 119.75 2nni h LEU 312 Ca 0.39 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 2nni h LEU 312 Cb 0.31 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2nni h LEU 312 CO -0.23 0.73 -0.45 -0.07 0.09 0.00 0.00 178.44 178.51 2nni h LEU 313 N 0.18 0.00 -0.00 1.67 3.38 -0.32 -0.85 115.31 119.37 2nni h LEU 313 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2nni h LEU 313 Cb 0.98 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.73 2nni h LEU 313 CO 0.08 0.45 -0.30 0.25 0.09 0.00 0.00 178.44 179.00 2nni h LEU 314 N 0.00 0.27 -1.42 1.67 6.46 -0.50 -3.23 115.31 118.57 2nni h LEU 314 Ca -0.00 -0.77 -0.03 0.00 -0.12 0.00 0.00 57.88 56.96 2nni h LEU 314 Cb 1.08 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.92 2nni h LEU 314 CO 0.06 1.01 -0.14 0.50 -0.62 0.00 0.00 178.44 179.24 2nni h LYS 315 N -0.43 0.00 -3.05 1.25 1.63 -1.07 -3.35 116.57 111.55 2nni h LYS 315 Ca -0.04 0.00 -0.62 0.00 -0.85 0.00 0.00 60.65 59.14 2nni h LYS 315 Cb 1.05 0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 32.27 2nni h LYS 315 CO 0.06 0.14 -0.68 -1.01 -3.45 0.00 0.00 179.45 174.52 2nni s HIS 316 N -3.78 2.75 0.16 1.91 3.76 -0.33 -4.96 115.29 114.81 2nni s HIS 316 Ca -0.00 -2.93 -0.12 0.00 -0.15 0.00 0.00 55.06 51.86 2nni s HIS 316 Cb 0.11 -2.31 0.06 0.00 1.11 0.00 0.00 32.58 31.55 2nni s HIS 316 CO 0.60 -0.69 1.69 -1.35 -0.85 0.00 0.00 174.74 174.13 2nni h PRO 317 N 6.08 0.88 0.00 8.40 0.11 -1.70 -2.92 132.00 142.85 2nni h PRO 317 Ca 0.06 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2nni h PRO 317 Cb 0.85 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.84 2nni h PRO 317 CO 0.61 0.80 0.00 1.05 -0.21 0.00 0.00 178.00 180.25 2nni h GLU 318 N 0.79 0.00 0.00 1.05 9.09 -1.92 -1.77 114.58 121.81 2nni h GLU 318 Ca 0.18 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.52 2nni h GLU 318 Cb 0.30 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.39 2nni h GLU 318 CO -0.00 0.00 -0.44 0.28 0.05 0.00 0.00 179.01 178.89 2nni h VAL 319 N 0.00 0.99 -0.35 -1.06 2.07 -1.87 -3.31 116.25 112.72 2nni h VAL 319 Ca 0.00 -1.89 0.08 0.00 0.82 0.00 0.00 66.70 65.70 2nni h VAL 319 Cb 0.12 2.02 -0.08 0.00 -1.52 0.00 0.00 31.29 31.83 2nni h VAL 319 CO 0.00 0.34 -0.17 0.74 0.02 0.00 0.00 177.57 178.50 2nni h THR 320 N -1.00 0.49 -0.91 2.57 2.02 -1.35 -0.85 112.91 113.88 2nni h THR 320 Ca -0.10 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.25 2nni h THR 320 Cb 0.85 0.49 -0.17 0.00 -1.74 0.00 0.00 68.15 67.59 2nni h THR 320 CO -0.06 0.00 -0.26 0.00 0.37 0.00 0.00 175.52 175.57 2nni h ALA 321 N 1.16 0.50 -0.61 6.16 0.00 -1.50 0.24 119.26 125.21 2nni h ALA 321 Ca 0.18 0.33 -0.05 0.00 0.00 0.00 0.00 54.91 55.37 2nni h ALA 321 Cb 0.38 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2nni h ALA 321 CO -0.42 -0.44 0.17 0.87 0.00 0.00 0.00 179.25 179.43 2nni h LYS 322 N -0.01 0.93 -0.36 0.00 1.57 -1.25 -0.84 116.57 116.60 2nni h LYS 322 Ca 0.41 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.96 2nni h LYS 322 Cb 0.65 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2nni h LYS 322 CO -0.94 0.81 0.04 0.28 -0.57 0.00 0.00 179.45 179.08 2nni h VAL 323 N 0.90 1.25 0.00 0.50 2.07 -0.19 -1.07 116.25 119.70 2nni h VAL 323 Ca 0.20 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 2nni h VAL 323 Cb 0.28 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2nni h VAL 323 CO -0.01 0.30 -0.19 1.56 0.02 0.00 0.00 177.57 179.26 2nni h GLN 324 N 0.44 0.00 -0.20 1.57 4.20 -0.67 0.12 115.11 120.57 2nni h GLN 324 Ca 0.11 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.65 2nni h GLN 324 Cb 0.39 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 2nni h GLN 324 CO 0.01 0.19 -0.56 1.49 -0.67 0.00 0.00 178.83 179.28 2nni h GLU 325 N 0.00 0.63 -0.10 1.46 4.22 -0.45 -0.02 114.58 120.33 2nni h GLU 325 Ca -0.00 -0.41 -0.06 0.00 0.08 0.00 0.00 59.36 58.97 2nni h GLU 325 Cb 0.37 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2nni h GLU 325 CO 0.02 1.02 -0.18 0.93 -2.18 0.00 0.00 179.01 178.63 2nni h GLU 326 N 0.48 0.29 -0.62 1.92 5.08 -0.59 -1.31 114.58 119.83 2nni h GLU 326 Ca 0.01 -0.18 0.11 0.00 -1.00 0.00 0.00 59.36 58.30 2nni h GLU 326 Cb 1.13 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.31 2nni h GLU 326 CO 0.11 0.77 0.16 0.82 -1.00 0.00 0.00 179.01 179.87 2nni h ILE 327 N -0.16 0.66 -0.23 3.13 2.04 -0.90 1.35 117.51 123.40 2nni h ILE 327 Ca 0.01 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 2nni h ILE 327 Cb 0.75 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2nni h ILE 327 CO 0.04 0.05 0.05 -0.78 0.00 0.00 0.00 178.15 177.51 2nni h ASP 328 N 0.30 0.35 0.47 1.72 -0.00 -0.96 0.59 116.42 118.88 2nni h ASP 328 Ca 0.32 -0.24 -0.10 0.00 -0.00 0.00 0.00 57.03 57.01 2nni h ASP 328 Cb 0.48 -0.09 -0.01 0.00 -0.00 0.00 0.00 39.33 39.70 2nni h ASP 328 CO -0.39 0.50 -0.48 -0.74 -0.00 0.00 0.00 179.24 178.14 2nni h HIS 329 N 0.19 0.02 0.00 0.28 2.76 0.02 -1.85 115.15 116.56 2nni h HIS 329 Ca 0.07 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 2nni h HIS 329 Cb 0.29 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.25 2nni h HIS 329 CO 0.01 0.49 -1.55 0.28 -1.30 0.00 0.00 177.93 175.86 2nni n VAL 330 N -3.97 0.05 0.00 5.26 0.31 0.45 -4.80 118.33 115.63 2nni n VAL 330 Ca -0.02 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2nni n VAL 330 Cb 0.50 0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.60 2nni n VAL 330 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2nni n ILE 331 N -1.94 0.00 -3.64 2.52 5.41 0.14 -5.04 119.36 116.81 2nni n ILE 331 Ca -0.03 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.73 2nni n ILE 331 Cb 0.34 -0.56 -0.00 0.00 -0.71 0.00 0.00 39.64 38.70 2nni n ILE 331 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2nni n GLY 332 N 3.14 -1.81 0.82 7.39 0.00 0.16 -3.92 105.19 110.97 2nni n GLY 332 Ca 0.00 -1.31 0.12 0.00 0.00 0.00 0.00 46.02 44.83 2nni n GLY 332 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nni n ARG 333 N -0.87 2.12 0.16 1.61 3.00 -1.26 -4.31 116.66 117.11 2nni n ARG 333 Ca 0.00 -1.65 0.02 0.00 -0.01 0.00 0.00 57.85 56.21 2nni n ARG 333 Cb 0.04 -1.47 0.37 0.00 0.00 0.00 0.00 32.46 31.40 2nni n ARG 333 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2nni h HIS 334 N 4.03 0.10 -2.97 -1.55 3.86 -1.97 -3.47 115.15 113.18 2nni h HIS 334 Ca 0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2nni h HIS 334 Cb 0.87 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.30 2nni h HIS 334 CO 0.00 0.38 0.29 -0.98 0.86 0.00 0.00 177.93 178.48 2nni s ARG 335 N -4.38 2.14 0.28 2.45 1.70 -1.25 -5.17 118.95 114.72 2nni s ARG 335 Ca -0.04 -1.36 -0.28 0.00 -0.47 0.00 0.00 55.73 53.57 2nni s ARG 335 Cb 0.15 0.61 -0.09 0.00 -0.57 0.00 0.00 34.95 35.04 2nni s ARG 335 CO 0.73 -1.00 0.97 -1.12 -1.08 0.00 0.00 175.30 173.80 2nni s SER 336 N -3.08 7.44 0.62 -2.89 0.01 -1.26 -4.80 113.70 109.75 2nni s SER 336 Ca 0.15 1.96 -0.17 0.00 1.31 0.00 0.00 55.95 59.21 2nni s SER 336 Cb -0.05 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 2nni s SER 336 CO 0.11 0.01 1.13 -2.16 0.41 0.00 0.00 173.24 172.73 2nni s PRO 337 N -1.58 2.96 0.10 12.44 0.04 -1.26 -5.03 135.00 142.66 2nni s PRO 337 Ca 0.45 1.52 0.01 0.00 0.04 0.00 0.00 61.00 63.03 2nni s PRO 337 Cb -0.24 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 2nni s PRO 337 CO 0.30 -1.15 -0.06 0.00 0.04 0.00 0.00 177.00 176.14 2nni h MET 339 N 2.97 0.28 -0.01 0.00 2.86 -1.96 -1.55 114.93 117.52 2nni h MET 339 Ca -0.35 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 2nni h MET 339 Cb 1.16 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.76 2nni h MET 339 CO 0.65 0.18 0.01 0.37 1.06 0.00 0.00 176.91 179.18 2nni h GLN 340 N 0.29 0.00 -0.01 1.72 4.15 -2.01 -2.01 115.11 117.23 2nni h GLN 340 Ca 0.44 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.77 2nni h GLN 340 Cb 1.27 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.95 2nni h GLN 340 CO -0.13 0.00 -0.41 -0.44 -1.93 0.00 0.00 178.83 175.92 2nni h ASP 341 N 0.00 0.03 -0.71 -0.69 3.32 -1.69 -3.16 116.42 113.52 2nni h ASP 341 Ca 0.01 -0.01 0.21 0.00 0.02 0.00 0.00 57.03 57.25 2nni h ASP 341 Cb 0.03 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 2nni h ASP 341 CO -0.00 0.44 0.58 -0.09 -1.72 0.00 0.00 179.24 178.45 2nni h ARG 342 N 0.02 0.00 0.00 3.56 2.43 -1.51 0.61 114.38 119.50 2nni h ARG 342 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2nni h ARG 342 Cb 0.74 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2nni h ARG 342 CO 0.05 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.17 2nni h SER 343 N 0.00 0.00 -0.29 -3.80 4.64 -1.74 -2.90 113.55 109.46 2nni h SER 343 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2nni h SER 343 Cb 1.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 2nni h SER 343 CO -0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 2nni n HIS 344 N -2.64 0.37 -3.34 4.77 8.25 0.21 -4.68 115.22 118.16 2nni n HIS 344 Ca 0.03 -0.31 -0.26 0.00 -0.26 0.00 0.00 57.72 56.92 2nni n HIS 344 Cb 0.35 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.37 2nni n HIS 344 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2nni n MET 345 N 0.81 1.94 -0.33 -0.41 2.81 -0.96 -4.96 117.12 116.02 2nni n MET 345 Ca 0.12 -4.20 0.06 0.00 -1.81 0.00 0.00 57.70 51.87 2nni n MET 345 Cb 0.43 -1.91 0.21 0.00 -0.71 0.00 0.00 33.22 31.24 2nni n MET 345 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2nni h PRO 346 N 4.10 0.84 0.14 0.03 0.13 -1.83 -2.45 132.00 132.96 2nni h PRO 346 Ca 0.16 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 2nni h PRO 346 Cb 0.73 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2nni h PRO 346 CO 0.71 0.55 -0.07 -0.92 -0.23 0.00 0.00 178.00 178.05 2nni h TYR 347 N 0.86 -0.17 -0.14 1.56 3.20 -1.93 0.09 116.97 120.45 2nni h TYR 347 Ca 0.46 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.36 2nni h TYR 347 Cb 0.47 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 2nni h TYR 347 CO -0.04 0.06 0.12 1.15 -1.64 0.00 0.00 178.16 177.81 2nni h THR 348 N -0.39 0.72 -0.07 1.81 2.02 -1.89 0.13 112.91 115.24 2nni h THR 348 Ca -0.02 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.00 2nni h THR 348 Cb 0.31 0.91 0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2nni h THR 348 CO 0.03 0.00 -0.58 -0.78 0.37 0.00 0.00 175.52 174.56 2nni h ASP 349 N 0.00 0.63 -0.66 4.18 3.58 -1.00 -2.08 116.42 121.07 2nni h ASP 349 Ca 0.06 -0.68 -0.00 0.00 0.42 0.00 0.00 57.03 56.83 2nni h ASP 349 Cb 0.30 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 2nni h ASP 349 CO -0.00 1.22 0.40 0.00 -2.88 0.00 0.00 179.24 177.98 2nni h ALA 350 N 0.43 0.84 0.34 -0.78 0.00 0.82 -1.29 119.26 119.62 2nni h ALA 350 Ca -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2nni h ALA 350 Cb 1.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2nni h ALA 350 CO 0.12 0.31 -0.24 0.28 0.00 0.00 0.00 179.25 179.71 2nni h VAL 351 N 0.89 0.49 -0.12 0.00 2.07 -0.80 0.21 116.25 118.99 2nni h VAL 351 Ca 0.24 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.79 2nni h VAL 351 Cb -0.04 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2nni h VAL 351 CO -0.05 0.00 0.08 0.58 0.02 0.00 0.00 177.57 178.21 2nni h VAL 352 N -0.58 0.93 0.03 2.57 2.07 -1.21 0.29 116.25 120.36 2nni h VAL 352 Ca -0.03 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.22 2nni h VAL 352 Cb 0.49 0.94 0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2nni h VAL 352 CO 0.01 0.00 -1.08 0.45 0.02 0.00 0.00 177.57 176.97 2nni h HIS 353 N 0.00 0.92 0.00 1.57 3.86 -0.72 -3.07 115.15 117.71 2nni h HIS 353 Ca 0.06 -0.53 -0.04 0.00 -1.16 0.00 0.00 60.37 58.70 2nni h HIS 353 Cb 0.22 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 2nni h HIS 353 CO 0.00 1.36 -0.18 1.49 0.86 0.00 0.00 177.93 181.47 2nni h GLU 354 N 0.32 0.00 -0.18 2.45 4.57 0.39 -0.97 114.58 121.16 2nni h GLU 354 Ca -0.13 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.86 2nni h GLU 354 Cb 1.74 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.33 2nni h GLU 354 CO 0.20 0.18 -0.64 0.82 -1.18 0.00 0.00 179.01 178.39 2nni h ILE 355 N 0.00 1.31 -0.06 2.32 2.04 -0.44 -1.32 117.51 121.37 2nni h ILE 355 Ca -0.00 -1.89 -0.15 0.00 1.00 0.00 0.00 64.86 63.81 2nni h ILE 355 Cb 0.85 1.86 0.01 0.00 -0.74 0.00 0.00 36.82 38.79 2nni h ILE 355 CO 0.02 0.59 -0.56 1.56 0.00 0.00 0.00 178.15 179.77 2nni h GLN 356 N 0.47 0.48 -0.72 2.37 4.20 -1.43 -1.38 115.11 119.10 2nni h GLN 356 Ca -0.01 -0.44 -0.02 0.00 0.06 0.00 0.00 58.65 58.24 2nni h GLN 356 Cb 1.22 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 29.07 2nni h GLN 356 CO 0.12 1.08 0.38 -0.09 -0.67 0.00 0.00 178.83 179.65 2nni h ARG 357 N 0.04 1.02 0.04 1.46 2.43 -1.18 -2.72 114.38 115.47 2nni h ARG 357 Ca -0.05 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2nni h ARG 357 Cb 1.23 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 2nni h ARG 357 CO 0.11 0.78 -0.02 -0.92 -1.51 0.00 0.00 179.97 178.41 2nni h TYR 358 N 1.00 -0.05 0.00 2.20 3.20 -1.28 -3.31 116.97 118.72 2nni h TYR 358 Ca 0.25 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.12 2nni h TYR 358 Cb 0.07 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2nni h TYR 358 CO 0.00 0.58 0.00 0.66 -1.64 0.00 0.00 178.16 177.76 2nni h SER 359 N -0.79 0.00 -6.82 -2.11 4.64 -1.31 -3.47 113.55 103.69 2nni h SER 359 Ca -0.01 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.94 2nni h SER 359 Cb 0.66 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 2nni h SER 359 CO 0.01 0.00 -0.68 -0.67 -0.87 0.00 0.00 176.83 174.62 2nni n ASP 360 N -2.52 -2.78 -0.31 4.97 2.03 -1.03 -4.83 116.55 112.07 2nni n ASP 360 Ca -0.00 -0.78 0.16 0.00 0.52 0.00 0.00 54.79 54.69 2nni n ASP 360 Cb 0.15 -1.02 0.34 0.00 -0.72 0.00 0.00 41.12 39.88 2nni n ASP 360 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2nni h LEU 361 N -0.36 0.12 -6.98 -2.67 5.85 -1.86 -3.29 115.31 106.11 2nni h LEU 361 Ca -0.45 0.20 -0.61 0.00 0.84 0.00 0.00 57.88 57.86 2nni h LEU 361 Cb 0.91 0.24 -0.40 0.00 0.37 0.00 0.00 40.66 41.78 2nni h LEU 361 CO 0.30 -0.16 -0.73 -0.69 -0.34 0.00 0.00 178.44 176.82 2nni s VAL 362 N -5.86 1.54 0.23 1.05 1.01 -1.26 -1.30 120.40 115.80 2nni s VAL 362 Ca -0.12 -2.75 -0.08 0.00 0.00 0.00 0.00 61.98 59.03 2nni s VAL 362 Cb 0.27 -2.07 0.20 0.00 0.00 0.00 0.00 36.38 34.78 2nni s VAL 362 CO 0.78 -0.92 1.89 -0.65 0.00 0.00 0.00 175.10 176.20 2nni h PRO 363 N 6.54 1.09 -0.02 2.72 0.11 -1.78 -2.65 132.00 138.01 2nni h PRO 363 Ca 0.02 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2nni h PRO 363 Cb 0.91 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2nni h PRO 363 CO 0.51 0.72 -0.09 0.25 -0.21 0.00 0.00 178.00 179.19 2nni n THR 364 N -4.51 0.00 -1.47 -1.15 -2.24 -1.26 -1.79 114.28 101.86 2nni n THR 364 Ca 0.09 -0.27 0.07 0.00 -2.27 0.00 0.00 64.05 61.68 2nni n THR 364 Cb 0.03 0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 68.93 2nni n THR 364 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nni n GLY 365 N 1.25 -1.99 3.81 3.38 0.00 -1.00 -4.23 105.19 106.42 2nni n GLY 365 Ca 0.16 -1.33 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 2nni n GLY 365 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nni s VAL 366 N -1.23 5.29 0.27 1.61 1.01 -1.26 -5.00 120.40 121.09 2nni s VAL 366 Ca 0.00 0.50 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 2nni s VAL 366 Cb 0.00 -3.57 -0.13 0.00 0.00 0.00 0.00 36.38 32.69 2nni s VAL 366 CO 0.00 0.53 1.48 -0.81 0.00 0.00 0.00 175.10 176.30 2nni n PRO 367 N 2.48 2.33 -1.39 2.72 -0.04 -1.26 -4.81 135.00 135.02 2nni n PRO 367 Ca -0.16 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 2nni n PRO 367 Cb 0.53 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 2nni n PRO 367 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2nni n HIS 368 N 1.90 -1.79 -3.63 0.54 8.25 -0.95 -2.19 115.22 117.35 2nni n HIS 368 Ca 0.10 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.43 2nni n HIS 368 Cb 0.34 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.38 2nni n HIS 368 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2nni s ALA 369 N -2.00 -1.80 0.34 -1.41 0.00 0.14 -1.47 121.76 115.56 2nni s ALA 369 Ca 0.00 2.10 -0.27 0.00 0.00 0.00 0.00 51.96 53.80 2nni s ALA 369 Cb 0.00 -1.23 -0.09 0.00 0.00 0.00 0.00 23.12 21.80 2nni s ALA 369 CO 0.00 -0.35 1.06 0.14 0.00 0.00 0.00 175.76 176.62 2nni s VAL 370 N 0.61 3.64 0.31 0.00 -7.23 -0.94 -2.57 120.40 114.21 2nni s VAL 370 Ca -0.02 1.43 0.09 0.00 -1.81 0.00 0.00 61.98 61.68 2nni s VAL 370 Cb -0.05 -3.83 0.03 0.00 0.56 0.00 0.00 36.38 33.09 2nni s VAL 370 CO -0.03 0.18 1.71 0.71 -0.31 0.00 0.00 175.10 177.36 2nni h THR 371 N 2.62 1.34 -3.42 5.32 1.35 -0.98 -0.66 112.91 118.47 2nni h THR 371 Ca -0.47 -1.63 -0.17 0.00 -0.55 0.00 0.00 66.41 63.59 2nni h THR 371 Cb 1.21 1.83 -0.04 0.00 -1.73 0.00 0.00 68.15 69.42 2nni h THR 371 CO 0.65 0.47 -0.01 0.35 -0.25 0.00 0.00 175.52 176.73 2nni n THR 372 N -3.98 0.00 -1.66 6.82 -2.24 -1.26 -4.67 114.28 107.29 2nni n THR 372 Ca -0.02 -1.29 -0.43 0.00 -2.27 0.00 0.00 64.05 60.05 2nni n THR 372 Cb 0.50 0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 69.59 2nni n THR 372 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2nni n ASP 373 N -1.62 4.09 -4.50 3.42 9.92 -1.26 -3.62 116.55 122.99 2nni n ASP 373 Ca -0.02 0.91 -0.31 0.00 -0.53 0.00 0.00 54.79 54.84 2nni n ASP 373 Cb 0.50 -1.51 -0.12 0.00 -0.64 0.00 0.00 41.12 39.34 2nni n ASP 373 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2nni s THR 374 N 4.33 3.06 -0.24 -3.53 2.01 0.21 -4.88 115.64 116.60 2nni s THR 374 Ca 0.89 -1.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.81 2nni s THR 374 Cb -0.47 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 2nni s THR 374 CO 0.43 0.39 0.09 -0.75 -0.69 0.00 0.00 174.62 174.09 2nni s LYS 375 N -1.32 3.78 -0.31 4.92 2.20 -1.26 0.14 119.74 127.89 2nni s LYS 375 Ca 0.15 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 2nni s LYS 375 Cb -0.11 -3.35 0.10 0.00 -1.51 0.00 0.00 37.83 32.96 2nni s LYS 375 CO 0.05 -0.07 0.07 0.12 -0.36 0.00 0.00 175.35 175.16 2nni s PHE 376 N 1.33 2.25 0.00 4.03 5.36 0.64 -4.99 117.98 126.60 2nni s PHE 376 Ca 0.05 -2.02 0.00 0.00 -0.96 0.00 0.00 56.93 54.00 2nni s PHE 376 Cb -0.15 -1.98 0.00 0.00 -0.34 0.00 0.00 43.02 40.55 2nni s PHE 376 CO 0.04 -0.88 0.00 2.89 -1.46 0.00 0.00 175.22 175.82 2nni n ARG 377 N 4.69 -0.06 0.00 10.12 1.85 -1.26 -1.05 116.66 130.95 2nni n ARG 377 Ca -0.02 0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.91 2nni n ARG 377 Cb 0.42 -0.07 0.00 0.00 -1.05 0.00 0.00 32.46 31.76 2nni n ARG 377 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2nni n ASN 378 N 1.31 0.00 -4.43 2.89 3.02 -1.26 -4.99 115.26 111.80 2nni n ASN 378 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.27 2nni n ASN 378 Cb 0.02 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.07 2nni n ASN 378 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2nni s TYR 379 N -1.35 2.36 -0.12 3.10 1.51 -0.22 -5.01 117.35 117.62 2nni s TYR 379 Ca 0.00 -0.34 0.03 0.00 -1.01 0.00 0.00 57.07 55.74 2nni s TYR 379 Cb 0.00 -1.22 -0.00 0.00 -0.11 0.00 0.00 41.96 40.63 2nni s TYR 379 CO 0.00 0.43 -0.21 -1.17 -1.11 0.00 0.00 175.55 173.49 2nni s LEU 380 N -2.39 2.22 -0.28 -1.29 0.20 -0.59 -0.26 118.68 116.28 2nni s LEU 380 Ca 0.18 -0.53 -0.04 0.00 0.69 0.00 0.00 54.13 54.43 2nni s LEU 380 Cb -0.09 -1.46 0.02 0.00 -0.43 0.00 0.00 46.19 44.23 2nni s LEU 380 CO 0.09 0.14 0.02 -0.63 -0.29 0.00 0.00 176.35 175.68 2nni s ILE 381 N 0.48 3.48 0.28 6.68 1.01 0.36 -3.59 121.20 129.90 2nni s ILE 381 Ca -0.14 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.33 2nni s ILE 381 Cb -0.17 -2.80 -0.13 0.00 0.01 0.00 0.00 42.46 39.37 2nni s ILE 381 CO 0.06 0.10 1.44 -0.81 0.00 0.00 0.00 174.94 175.73 2nni n PRO 382 N 4.77 2.26 -1.56 2.79 -0.04 -1.26 0.64 135.00 142.61 2nni n PRO 382 Ca -0.15 0.80 -0.47 0.00 -0.04 0.00 0.00 63.50 63.64 2nni n PRO 382 Cb 0.47 -2.48 -0.03 0.00 -0.04 0.00 0.00 33.50 31.42 2nni n PRO 382 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2nni n LYS 383 N 1.69 1.09 0.00 0.54 4.81 -1.24 -1.50 118.16 123.55 2nni n LYS 383 Ca 0.09 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 2nni n LYS 383 Cb 0.34 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.62 2nni n LYS 383 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2nni n GLY 384 N 1.66 3.00 3.44 3.14 0.00 -0.26 -4.91 105.19 111.27 2nni n GLY 384 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2nni n GLY 384 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2nni n THR 385 N -0.77 1.69 -2.90 2.61 -1.04 -0.56 -4.55 114.28 108.76 2nni n THR 385 Ca 0.00 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.10 2nni n THR 385 Cb 0.00 -0.48 -0.04 0.00 -1.82 0.00 0.00 70.33 67.99 2nni n THR 385 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2nni s THR 386 N -1.43 4.96 0.28 12.58 2.01 -1.25 -2.21 115.64 130.57 2nni s THR 386 Ca 0.63 1.69 0.07 0.00 0.31 0.00 0.00 61.69 64.39 2nni s THR 386 Cb -0.64 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 67.69 2nni s THR 386 CO 0.59 0.18 0.27 -0.63 -0.69 0.00 0.00 174.62 174.34 2nni s ILE 387 N 1.11 4.33 -0.29 1.82 -1.09 -0.54 -1.93 121.20 124.61 2nni s ILE 387 Ca 0.43 -1.29 0.02 0.00 -2.23 0.00 0.00 60.65 57.58 2nni s ILE 387 Cb -0.19 -3.43 0.16 0.00 -1.58 0.00 0.00 42.46 37.43 2nni s ILE 387 CO 0.20 -0.29 0.41 -0.32 -1.23 0.00 0.00 174.94 173.72 2nni s MET 388 N -3.93 0.41 -0.48 2.79 1.75 -1.00 -2.23 119.30 116.62 2nni s MET 388 Ca 0.36 0.15 -0.21 0.00 -1.25 0.00 0.00 55.69 54.74 2nni s MET 388 Cb -0.08 -0.30 0.04 0.00 2.84 0.00 0.00 34.83 37.33 2nni s MET 388 CO 0.27 -1.02 0.69 0.00 -0.65 0.00 0.00 175.02 174.30 2nni s ALA 389 N 2.55 3.33 -0.84 4.11 0.00 -1.26 -1.07 121.76 128.57 2nni s ALA 389 Ca 0.10 -1.37 -0.25 0.00 0.00 0.00 0.00 51.96 50.44 2nni s ALA 389 Cb -0.12 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 2nni s ALA 389 CO -0.30 -1.96 1.86 -0.51 0.00 0.00 0.00 175.76 174.86 2nni s LEU 390 N 2.96 3.22 0.14 0.00 1.43 -0.94 -4.13 118.68 121.36 2nni s LEU 390 Ca 0.22 -0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 52.60 2nni s LEU 390 Cb -0.15 -2.55 -0.00 0.00 0.03 0.00 0.00 46.19 43.51 2nni s LEU 390 CO 0.17 -2.53 1.66 -0.07 0.23 0.00 0.00 176.35 175.81 2nni h LEU 391 N 16.96 -0.54 -1.77 1.79 3.38 -1.69 -1.19 115.31 132.25 2nni h LEU 391 Ca 0.01 0.10 0.34 0.00 0.09 0.00 0.00 57.88 58.42 2nni h LEU 391 Cb 1.04 0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.98 2nni h LEU 391 CO 1.23 -0.22 0.82 0.00 0.09 0.00 0.00 178.44 180.37 2nni h THR 392 N -0.20 0.41 0.00 0.22 1.03 -1.57 0.91 112.91 113.70 2nni h THR 392 Ca 0.11 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 66.47 2nni h THR 392 Cb 0.36 0.27 0.00 0.00 -1.07 0.00 0.00 68.15 67.71 2nni h THR 392 CO -0.28 0.02 0.00 0.77 -0.01 0.00 0.00 175.52 176.02 2nni h SER 393 N 0.12 0.00 0.01 0.00 4.64 -1.46 -2.01 113.55 114.85 2nni h SER 393 Ca 0.61 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.61 2nni h SER 393 Cb 2.12 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.16 2nni h SER 393 CO -0.12 0.00 -1.73 0.52 -0.87 0.00 0.00 176.83 174.63 2nni n VAL 394 N -2.91 1.56 0.09 0.95 0.31 0.30 -3.79 118.33 114.84 2nni n VAL 394 Ca 0.01 -0.21 0.06 0.00 -0.01 0.00 0.00 64.34 64.19 2nni n VAL 394 Cb 0.27 -1.94 0.33 0.00 -0.91 0.00 0.00 33.84 31.59 2nni n VAL 394 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2nni n LEU 395 N -4.24 0.31 -0.37 7.52 4.77 -0.48 -1.46 117.00 123.06 2nni n LEU 395 Ca -0.39 0.65 0.07 0.00 -0.03 0.00 0.00 56.01 56.31 2nni n LEU 395 Cb 0.79 -0.69 0.15 0.00 -2.33 0.00 0.00 43.42 41.34 2nni n LEU 395 CO 0.18 -0.75 0.44 1.41 -1.33 0.00 0.00 177.39 177.33 2nni n HIS 396 N -1.92 0.00 -1.63 -1.77 8.25 -0.77 -4.85 115.22 112.52 2nni n HIS 396 Ca -0.01 -1.08 -0.43 0.00 -0.26 0.00 0.00 57.72 55.94 2nni n HIS 396 Cb 0.02 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 30.92 2nni n HIS 396 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2nni n ASP 397 N -1.11 3.71 0.00 0.41 4.64 -0.53 -4.79 116.55 118.88 2nni n ASP 397 Ca 0.15 0.66 0.09 0.00 -1.38 0.00 0.00 54.79 54.31 2nni n ASP 397 Cb 0.69 -1.51 0.47 0.00 -1.04 0.00 0.00 41.12 39.73 2nni n ASP 397 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 2nni n ASP 398 N 8.92 0.00 -0.12 1.67 5.75 -1.26 -1.15 116.55 130.36 2nni n ASP 398 Ca 0.24 -0.06 -0.26 0.00 -0.01 0.00 0.00 54.79 54.71 2nni n ASP 398 Cb 0.40 -0.25 -0.11 0.00 -1.03 0.00 0.00 41.12 40.14 2nni n ASP 398 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2nni n LYS 399 N -1.25 0.60 0.26 0.11 4.01 -1.26 -3.61 118.16 117.02 2nni n LYS 399 Ca 0.09 0.37 0.14 0.00 -0.51 0.00 0.00 58.31 58.41 2nni n LYS 399 Cb 0.13 -1.60 0.67 0.00 -0.51 0.00 0.00 35.03 33.72 2nni n LYS 399 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 2nni h GLU 400 N -0.86 0.00 -2.39 1.97 4.57 -1.94 -3.33 114.58 112.60 2nni h GLU 400 Ca -0.55 0.00 -0.59 0.00 -1.18 0.00 0.00 59.36 57.04 2nni h GLU 400 Cb 1.55 0.00 -0.38 0.00 -0.16 0.00 0.00 28.75 29.75 2nni h GLU 400 CO -0.29 0.10 -0.96 1.19 -1.18 0.00 0.00 179.01 177.87 2nni n PHE 401 N -3.32 -0.60 -1.60 0.92 0.99 -0.30 -5.05 117.46 108.49 2nni n PHE 401 Ca -0.00 -3.39 -0.47 0.00 -0.00 0.00 0.00 57.45 53.58 2nni n PHE 401 Cb 0.31 0.17 -0.03 0.00 -1.00 0.00 0.00 39.48 38.92 2nni n PHE 401 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 2nni n PRO 402 N 2.69 1.42 -3.34 -1.08 -0.02 -1.24 -1.53 135.00 131.90 2nni n PRO 402 Ca 0.29 0.50 -0.18 0.00 -2.02 0.00 0.00 63.50 62.09 2nni n PRO 402 Cb 0.47 -2.02 0.07 0.00 -0.02 0.00 0.00 33.50 32.00 2nni n PRO 402 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2nni n ASN 403 N 1.92 -6.26 0.11 2.55 3.02 -1.26 -4.84 115.26 110.50 2nni n ASN 403 Ca 0.13 -0.77 0.07 0.00 -0.03 0.00 0.00 54.58 53.99 2nni n ASN 403 Cb 0.28 -4.87 0.39 0.00 -0.61 0.00 0.00 39.78 34.97 2nni n ASN 403 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2nni n PRO 404 N -3.44 0.09 -0.20 3.52 -0.04 -0.58 -2.49 135.00 131.86 2nni n PRO 404 Ca -0.08 0.59 0.11 0.00 -0.04 0.00 0.00 63.50 64.08 2nni n PRO 404 Cb 0.62 -1.80 0.26 0.00 -0.04 0.00 0.00 33.50 32.54 2nni n PRO 404 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2nni n ASN 405 N -2.00 3.01 -4.29 3.54 3.02 -1.26 -4.85 115.26 112.43 2nni n ASN 405 Ca -0.01 -1.94 -0.33 0.00 -0.03 0.00 0.00 54.58 52.27 2nni n ASN 405 Cb 0.02 -0.26 -0.15 0.00 -0.61 0.00 0.00 39.78 38.78 2nni n ASN 405 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2nni s ILE 406 N -1.47 2.73 0.07 2.41 -4.36 -1.04 -5.07 121.20 114.46 2nni s ILE 406 Ca 0.38 -0.76 -0.30 0.00 -0.26 0.00 0.00 60.65 59.70 2nni s ILE 406 Cb 0.21 -2.14 -0.09 0.00 1.25 0.00 0.00 42.46 41.69 2nni s ILE 406 CO 0.29 0.52 1.89 0.12 0.24 0.00 0.00 174.94 178.00 2nni s PHE 407 N 0.66 1.68 -0.30 1.37 5.36 -1.26 -4.94 117.98 120.55 2nni s PHE 407 Ca -0.08 -0.24 -0.08 0.00 -0.96 0.00 0.00 56.93 55.58 2nni s PHE 407 Cb -0.16 -4.20 0.17 0.00 -0.34 0.00 0.00 43.02 38.50 2nni s PHE 407 CO 0.02 -5.17 0.77 0.34 -1.46 0.00 0.00 175.22 169.72 2nni s ASP 408 N 3.66 -1.01 0.41 6.13 3.68 -1.26 -5.01 116.67 123.27 2nni s ASP 408 Ca 0.84 0.86 0.26 0.00 2.13 0.00 0.00 52.55 56.65 2nni s ASP 408 Cb -0.43 1.94 1.42 0.00 -1.45 0.00 0.00 42.92 44.40 2nni s ASP 408 CO 0.39 -0.19 1.79 -0.65 0.13 0.00 0.00 175.17 176.64 2nni h PRO 409 N 7.92 0.00 -0.07 4.34 0.11 -1.92 -1.81 132.00 140.57 2nni h PRO 409 Ca -0.19 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.94 2nni h PRO 409 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2nni h PRO 409 CO 0.12 0.00 0.06 0.78 -0.21 0.00 0.00 178.00 178.75 2nni h GLY 410 N 0.00 0.00 1.46 -0.55 0.00 -1.93 -1.25 103.07 100.80 2nni h GLY 410 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 2nni h GLY 410 CO 0.00 0.00 0.20 0.45 0.00 0.00 0.00 176.54 177.19 2nni h HIS 411 N 0.00 0.00 -0.28 5.60 3.86 -1.72 -1.55 115.15 121.06 2nni h HIS 411 Ca 0.03 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.08 2nni h HIS 411 Cb 0.15 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.51 2nni h HIS 411 CO 0.00 0.00 -0.29 1.19 0.86 0.00 0.00 177.93 179.69 2nni n PHE 412 N -4.22 0.92 -4.00 2.45 3.72 -0.48 -4.95 117.46 110.90 2nni n PHE 412 Ca 0.03 -1.68 -0.13 0.00 -0.05 0.00 0.00 57.45 55.62 2nni n PHE 412 Cb 0.35 -0.41 -0.14 0.00 -0.94 0.00 0.00 39.48 38.33 2nni n PHE 412 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2nni s LEU 413 N -3.30 2.02 0.52 4.37 1.02 -0.58 -1.28 118.68 121.44 2nni s LEU 413 Ca 0.43 -0.07 0.04 0.00 0.02 0.00 0.00 54.13 54.56 2nni s LEU 413 Cb 0.40 -0.11 0.04 0.00 0.02 0.00 0.00 46.19 46.53 2nni s LEU 413 CO -0.03 0.01 0.72 1.51 0.02 0.00 0.00 176.35 178.59 2nni s ASP 414 N -0.14 5.33 0.57 2.29 3.84 -0.30 -4.82 116.67 123.44 2nni s ASP 414 Ca 0.00 -0.24 0.15 0.00 -0.00 0.00 0.00 52.55 52.46 2nni s ASP 414 Cb -0.01 -0.65 0.82 0.00 -1.38 0.00 0.00 42.92 41.70 2nni s ASP 414 CO -0.00 -1.08 1.42 0.11 -0.00 0.00 0.00 175.17 175.62 2nni h LYS 415 N 0.23 0.00 -0.19 2.11 1.79 -1.97 0.26 116.57 118.81 2nni h LYS 415 Ca -0.40 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 2nni h LYS 415 Cb 1.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 2nni h LYS 415 CO 0.48 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 178.94 2nni n ASN 416 N -2.51 3.05 -0.01 0.86 3.02 -1.26 -4.94 115.26 113.47 2nni n ASN 416 Ca -0.01 -1.92 -0.00 0.00 -0.03 0.00 0.00 54.58 52.62 2nni n ASN 416 Cb 0.59 -0.12 -0.00 0.00 -0.61 0.00 0.00 39.78 39.64 2nni n ASN 416 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nni n GLY 417 N 1.27 0.42 3.88 7.41 0.00 0.93 -5.03 105.19 114.07 2nni n GLY 417 Ca 0.15 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 2nni n GLY 417 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2nni s ASN 418 N -2.75 6.57 0.33 1.61 0.02 -1.26 -4.63 114.94 114.84 2nni s ASN 418 Ca 0.00 0.73 -0.29 0.00 -1.02 0.00 0.00 52.86 52.28 2nni s ASN 418 Cb 0.00 -2.15 -0.11 0.00 0.02 0.00 0.00 41.25 39.01 2nni s ASN 418 CO 0.00 0.07 1.47 0.12 0.02 0.00 0.00 177.10 178.78 2nni s PHE 419 N -1.60 2.76 -0.36 2.20 2.19 -1.26 -1.15 117.98 120.76 2nni s PHE 419 Ca 0.39 1.11 0.03 0.00 0.33 0.00 0.00 56.93 58.80 2nni s PHE 419 Cb -0.13 -3.94 0.10 0.00 -1.31 0.00 0.00 43.02 37.74 2nni s PHE 419 CO 0.22 -2.88 0.09 0.21 1.83 0.00 0.00 175.22 174.68 2nni s LYS 420 N -1.46 1.47 0.62 10.12 2.20 -0.40 -4.75 119.74 127.53 2nni s LYS 420 Ca 0.55 -1.90 -0.18 0.00 -0.36 0.00 0.00 55.97 54.08 2nni s LYS 420 Cb -0.45 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 32.76 2nni s LYS 420 CO 0.55 -0.97 1.25 0.21 -0.36 0.00 0.00 175.35 176.03 2nni s LYS 421 N 0.80 2.74 -0.02 4.03 2.47 -1.26 -4.54 119.74 123.96 2nni s LYS 421 Ca 0.12 1.95 0.04 0.00 -1.56 0.00 0.00 55.97 56.52 2nni s LYS 421 Cb -0.20 -1.88 -0.01 0.00 -1.46 0.00 0.00 37.83 34.28 2nni s LYS 421 CO -0.08 -1.42 -0.15 0.45 0.16 0.00 0.00 175.35 174.31 2nni s SER 422 N -1.50 1.76 0.23 1.43 0.15 -1.26 -4.98 113.70 109.53 2nni s SER 422 Ca 0.80 -0.27 0.26 0.00 0.70 0.00 0.00 55.95 57.43 2nni s SER 422 Cb -0.34 -0.27 0.86 0.00 -1.71 0.00 0.00 66.02 64.56 2nni s SER 422 CO 0.37 0.17 1.76 0.47 1.20 0.00 0.00 173.24 177.20 2nni n ASP 423 N 2.84 0.78 -0.75 5.45 10.43 -1.26 -2.61 116.55 131.43 2nni n ASP 423 Ca -0.15 0.60 0.09 0.00 2.57 0.00 0.00 54.79 57.90 2nni n ASP 423 Cb 0.54 -0.80 0.26 0.00 1.84 0.00 0.00 41.12 42.96 2nni n ASP 423 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 2nni n TYR 424 N -2.26 0.45 -3.03 1.24 4.02 -1.26 -4.72 117.16 111.59 2nni n TYR 424 Ca 0.05 -0.22 -0.44 0.00 -0.01 0.00 0.00 57.90 57.27 2nni n TYR 424 Cb 0.38 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.68 2nni n TYR 424 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 2nni s PHE 425 N -1.55 3.39 -0.39 -0.72 5.36 -1.07 -4.10 117.98 118.91 2nni s PHE 425 Ca 0.31 -1.75 0.05 0.00 -0.96 0.00 0.00 56.93 54.58 2nni s PHE 425 Cb 0.17 -4.18 0.45 0.00 -0.34 0.00 0.00 43.02 39.12 2nni s PHE 425 CO 0.23 -1.35 1.37 -1.33 -1.46 0.00 0.00 175.22 172.68 2nni n MET 426 N 5.65 3.41 0.16 10.12 2.81 -1.26 -4.75 117.12 133.26 2nni n MET 426 Ca 0.25 -4.00 0.13 0.00 -1.81 0.00 0.00 57.70 52.27 2nni n MET 426 Cb 0.47 -2.28 0.53 0.00 -0.71 0.00 0.00 33.22 31.23 2nni n MET 426 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2nni h PRO 427 N 2.18 0.00 -0.67 0.03 0.13 -1.91 -1.00 132.00 130.77 2nni h PRO 427 Ca 0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.55 2nni h PRO 427 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2nni h PRO 427 CO 0.95 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.91 2nni n PHE 428 N -2.41 0.88 -4.18 1.56 3.72 -1.26 -4.84 117.46 110.93 2nni n PHE 428 Ca 0.02 -0.45 0.00 0.00 -0.05 0.00 0.00 57.45 56.97 2nni n PHE 428 Cb 0.24 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 2nni n PHE 428 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2nni n SER 429 N 1.62 -0.50 -1.50 4.37 2.88 -0.38 -1.64 113.62 118.47 2nni n SER 429 Ca 0.23 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.75 2nni n SER 429 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 2nni n SER 429 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2nni n ALA 430 N 2.21 -0.35 -0.36 -1.46 0.00 -1.26 -4.71 120.51 114.58 2nni n ALA 430 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2nni n ALA 430 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.75 2nni n ALA 430 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nni n GLY 431 N -0.15 -1.62 0.00 0.00 0.00 -1.26 -3.58 105.19 98.59 2nni n GLY 431 Ca -0.02 -1.26 0.04 0.00 0.00 0.00 0.00 46.02 44.79 2nni n GLY 431 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nni n LYS 432 N -0.69 0.10 -1.03 1.61 5.02 -1.25 -2.81 118.16 119.11 2nni n LYS 432 Ca 0.00 0.23 0.01 0.00 -2.02 0.00 0.00 58.31 56.53 2nni n LYS 432 Cb 0.00 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 33.66 2nni n LYS 432 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2nni n ARG 433 N -1.33 1.69 -1.41 1.97 0.63 -1.25 -5.04 116.66 111.91 2nni n ARG 433 Ca 0.04 -3.26 -0.35 0.00 -0.92 0.00 0.00 57.85 53.36 2nni n ARG 433 Cb 0.08 -1.49 0.10 0.00 0.45 0.00 0.00 32.46 31.59 2nni n ARG 433 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 2nni s ILE 434 N -3.01 2.18 -0.29 5.15 2.07 -1.12 -4.79 121.20 121.39 2nni s ILE 434 Ca 0.39 0.09 -0.44 0.00 -1.41 0.00 0.00 60.65 59.28 2nni s ILE 434 Cb 0.38 -2.70 -0.20 0.00 0.13 0.00 0.00 42.46 40.07 2nni s ILE 434 CO -0.07 -0.05 1.42 0.00 -1.91 0.00 0.00 174.94 174.34 2nni n ALA 436 N 3.21 1.67 -1.14 0.00 0.00 -1.26 -3.12 120.51 119.87 2nni n ALA 436 Ca 0.26 0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.82 2nni n ALA 436 Cb 0.01 -1.34 0.10 0.00 0.00 0.00 0.00 19.45 18.21 2nni n ALA 436 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nni n GLY 437 N 0.01 3.72 0.40 0.00 0.00 -1.26 -4.81 105.19 103.26 2nni n GLY 437 Ca 0.03 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 45.18 2nni n GLY 437 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2nni h GLU 438 N 0.00 -0.09 -0.26 1.61 4.81 -1.92 0.26 114.58 119.00 2nni h GLU 438 Ca 0.00 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 2nni h GLU 438 Cb 1.03 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.35 2nni h GLU 438 CO 0.00 -0.06 -0.45 0.78 -0.73 0.00 0.00 179.01 178.55 2nni h GLY 439 N -0.09 -0.73 0.46 1.92 0.00 -1.89 0.95 103.07 103.69 2nni h GLY 439 Ca 0.23 0.57 0.10 0.00 0.00 0.00 0.00 47.33 48.23 2nni h GLY 439 CO -0.86 -0.20 0.42 -2.00 0.00 0.00 0.00 176.54 173.90 2nni h LEU 440 N -0.44 0.57 0.09 3.11 5.85 -1.45 0.18 115.31 123.22 2nni h LEU 440 Ca 0.09 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.88 2nni h LEU 440 Cb 0.62 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2nni h LEU 440 CO -0.49 0.31 -0.13 0.00 -0.34 0.00 0.00 178.44 177.80 2nni h ALA 441 N 1.46 -0.22 -0.34 1.25 0.00 0.27 0.00 119.26 121.69 2nni h ALA 441 Ca 0.39 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 2nni h ALA 441 Cb 0.41 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2nni h ALA 441 CO -0.27 -0.65 0.10 0.00 0.00 0.00 0.00 179.25 178.43 2nni h ARG 442 N -0.26 0.48 -0.27 0.00 2.47 0.15 -1.95 114.38 114.99 2nni h ARG 442 Ca 0.02 -0.07 -0.10 0.00 -1.26 0.00 0.00 59.98 58.56 2nni h ARG 442 Cb 0.27 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2nni h ARG 442 CO -0.06 0.43 -0.24 1.98 0.56 0.00 0.00 179.97 182.64 2nni h MET 443 N 0.48 0.64 -0.48 0.04 4.05 -0.11 -2.29 114.93 117.26 2nni h MET 443 Ca 0.12 -0.33 -0.11 0.00 -0.28 0.00 0.00 59.70 59.09 2nni h MET 443 Cb 0.16 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 2nni h MET 443 CO -0.01 0.93 -0.16 0.93 0.23 0.00 0.00 176.91 178.83 2nni h GLU 444 N 0.38 0.92 -0.22 0.39 5.08 -0.76 -0.56 114.58 119.81 2nni h GLU 444 Ca 0.05 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 2nni h GLU 444 Cb 0.79 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2nni h GLU 444 CO 0.06 1.01 0.07 -0.07 -1.00 0.00 0.00 179.01 179.07 2nni h LEU 445 N 0.81 0.33 -0.22 1.33 3.38 -1.33 -0.41 115.31 119.20 2nni h LEU 445 Ca 0.12 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 2nni h LEU 445 Cb 0.70 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2nni h LEU 445 CO 0.05 0.45 -0.18 0.15 0.09 0.00 0.00 178.44 179.00 2nni h PHE 446 N 0.19 0.61 0.29 1.13 3.04 -1.39 -2.18 116.94 118.64 2nni h PHE 446 Ca 0.07 -0.18 -0.01 0.00 3.98 0.00 0.00 57.97 61.83 2nni h PHE 446 Cb 0.24 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.62 2nni h PHE 446 CO 0.00 0.84 -0.14 -0.07 -2.02 0.00 0.00 178.31 176.92 2nni h LEU 447 N 0.21 -0.33 -0.75 0.59 3.38 -1.08 -2.22 115.31 115.10 2nni h LEU 447 Ca 0.04 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.19 2nni h LEU 447 Cb 0.72 0.09 -0.13 0.00 0.09 0.00 0.00 40.66 41.43 2nni h LEU 447 CO 0.05 -0.17 0.06 -0.26 0.09 0.00 0.00 178.44 178.21 2nni h PHE 448 N -0.53 0.06 -0.45 1.13 0.04 -1.20 0.86 116.94 116.85 2nni h PHE 448 Ca -0.04 0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 2nni h PHE 448 Cb 0.30 0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 2nni h PHE 448 CO 0.09 -0.20 0.05 -0.07 -0.60 0.00 0.00 178.31 177.58 2nni h LEU 449 N 0.15 0.73 -0.26 1.54 3.38 -1.47 -1.94 115.31 117.43 2nni h LEU 449 Ca 0.42 -0.28 -0.21 0.00 0.09 0.00 0.00 57.88 57.91 2nni h LEU 449 Cb 0.75 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2nni h LEU 449 CO -0.62 0.82 -0.81 0.71 0.09 0.00 0.00 178.44 178.63 2nni h THR 450 N 0.61 1.35 -0.08 0.22 1.35 -0.77 -2.43 112.91 113.15 2nni h THR 450 Ca 0.13 -2.16 -0.05 0.00 -0.55 0.00 0.00 66.41 63.78 2nni h THR 450 Cb 0.42 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.98 2nni h THR 450 CO 0.01 0.66 -0.18 0.74 -0.25 0.00 0.00 175.52 176.50 2nni h THR 451 N 0.35 1.17 0.13 6.82 2.02 -0.83 -1.83 112.91 120.75 2nni h THR 451 Ca -0.05 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 2nni h THR 451 Cb 1.42 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 2nni h THR 451 CO 0.15 0.24 -0.06 0.40 0.37 0.00 0.00 175.52 176.62 2nni h ILE 452 N 0.12 0.56 0.00 3.11 2.04 -1.30 -3.24 117.51 118.80 2nni h ILE 452 Ca 0.02 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.70 2nni h ILE 452 Cb 0.40 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 2nni h ILE 452 CO 0.03 0.17 0.17 -0.07 0.00 0.00 0.00 178.15 178.45 2nni h LEU 453 N -0.98 0.00 0.16 1.44 3.38 -1.35 0.98 115.31 118.93 2nni h LEU 453 Ca -0.02 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.66 2nni h LEU 453 Cb 0.41 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.17 2nni h LEU 453 CO 0.03 0.00 -1.35 -0.61 0.09 0.00 0.00 178.44 176.60 2nni h GLN 454 N 0.00 0.33 0.00 1.13 4.15 -1.37 -3.36 115.11 115.98 2nni h GLN 454 Ca 0.00 -0.57 0.00 0.00 0.77 0.00 0.00 58.65 58.85 2nni h GLN 454 Cb 0.35 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.25 2nni h GLN 454 CO 0.00 1.26 -1.13 0.09 -1.93 0.00 0.00 178.83 177.11 2nni n ASN 455 N -3.56 0.83 -4.09 -0.69 5.03 0.16 -4.85 115.26 108.08 2nni n ASN 455 Ca -0.12 -0.82 -0.09 0.00 0.87 0.00 0.00 54.58 54.42 2nni n ASN 455 Cb 1.05 1.16 -0.09 0.00 -1.02 0.00 0.00 39.78 40.88 2nni n ASN 455 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2nni s PHE 456 N -3.02 0.71 0.09 3.10 0.08 -0.15 -1.96 117.98 116.83 2nni s PHE 456 Ca 0.05 -1.10 0.09 0.00 0.12 0.00 0.00 56.93 56.09 2nni s PHE 456 Cb 0.15 -0.36 -0.03 0.00 -0.57 0.00 0.00 43.02 42.20 2nni s PHE 456 CO 0.85 -0.56 -0.23 -0.80 -0.10 0.00 0.00 175.22 174.38 2nni s ASN 457 N -3.02 2.77 -0.24 1.36 0.01 0.53 -4.44 114.94 111.91 2nni s ASN 457 Ca 0.21 -0.65 -0.14 0.00 -0.71 0.00 0.00 52.86 51.57 2nni s ASN 457 Cb 0.06 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.49 2nni s ASN 457 CO 0.00 0.13 0.33 -0.76 -1.51 0.00 0.00 177.10 175.29 2nni s LEU 458 N -1.69 4.09 -0.10 0.60 1.43 -1.26 -1.41 118.68 120.33 2nni s LEU 458 Ca 0.09 0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.53 2nni s LEU 458 Cb -0.10 -2.37 -0.00 0.00 0.03 0.00 0.00 46.19 43.75 2nni s LEU 458 CO 0.04 -0.09 -0.21 -0.75 0.23 0.00 0.00 176.35 175.57 2nni s LYS 459 N 1.58 3.11 0.01 1.70 2.20 -0.45 -4.97 119.74 122.92 2nni s LYS 459 Ca 0.14 -0.83 -0.27 0.00 -0.36 0.00 0.00 55.97 54.65 2nni s LYS 459 Cb -0.15 -2.38 -0.04 0.00 -1.51 0.00 0.00 37.83 33.75 2nni s LYS 459 CO 0.08 0.20 0.87 0.45 -0.36 0.00 0.00 175.35 176.59 2nni s SER 460 N 0.31 7.27 0.33 1.43 0.15 -1.26 -0.40 113.70 121.52 2nni s SER 460 Ca -0.16 1.53 0.00 0.00 0.70 0.00 0.00 55.95 58.02 2nni s SER 460 Cb -0.17 -2.52 0.55 0.00 -1.71 0.00 0.00 66.02 62.17 2nni s SER 460 CO 0.08 -0.14 1.99 0.58 1.20 0.00 0.00 173.24 176.94 2nni h VAL 461 N 4.55 1.18 -0.24 4.45 2.07 -1.94 -3.44 116.25 122.88 2nni h VAL 461 Ca -0.42 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2nni h VAL 461 Cb 1.21 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2nni h VAL 461 CO 0.74 0.18 0.00 -0.67 0.02 0.00 0.00 177.57 177.84 2nni n ASP 462 N -4.43 0.00 -4.74 0.57 4.64 -1.26 -5.11 116.55 106.22 2nni n ASP 462 Ca 0.08 0.00 -0.35 0.00 -1.38 0.00 0.00 54.79 53.14 2nni n ASP 462 Cb 0.04 0.00 -0.08 0.00 -1.04 0.00 0.00 41.12 40.04 2nni n ASP 462 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 2nni s ASP 463 N 0.07 6.08 0.31 1.67 -1.08 -1.26 -4.99 116.67 117.47 2nni s ASP 463 Ca 0.00 0.25 0.06 0.00 -0.52 0.00 0.00 52.55 52.34 2nni s ASP 463 Cb 0.00 -2.03 0.75 0.00 -1.46 0.00 0.00 42.92 40.17 2nni s ASP 463 CO 0.00 0.24 1.78 -0.07 0.52 0.00 0.00 175.17 177.64 2nni h LEU 464 N 6.25 0.78 -1.92 -1.34 3.38 -1.95 0.22 115.31 120.74 2nni h LEU 464 Ca -0.43 0.09 0.06 0.00 0.09 0.00 0.00 57.88 57.69 2nni h LEU 464 Cb 1.17 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2nni h LEU 464 CO 0.70 0.29 0.20 0.50 0.09 0.00 0.00 178.44 180.22 2nni h LYS 465 N 0.76 0.10 -0.00 1.13 1.63 -1.96 0.46 116.57 118.69 2nni h LYS 465 Ca 0.57 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.36 2nni h LYS 465 Cb 0.89 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.50 2nni h LYS 465 CO -0.36 0.07 0.00 0.09 -3.45 0.00 0.00 179.45 175.79 2nni n ASN 466 N -4.47 0.00 -4.56 4.20 3.02 0.78 -4.78 115.26 109.45 2nni n ASN 466 Ca 0.03 -1.43 -0.42 0.00 -0.03 0.00 0.00 54.58 52.73 2nni n ASN 466 Cb 0.29 -0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.39 2nni n ASN 466 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2nni s LEU 467 N -1.57 4.31 0.05 3.41 2.96 0.16 -4.98 118.68 123.02 2nni s LEU 467 Ca 0.27 0.05 -0.21 0.00 -0.22 0.00 0.00 54.13 54.03 2nni s LEU 467 Cb 0.12 -2.70 -0.06 0.00 0.50 0.00 0.00 46.19 44.06 2nni s LEU 467 CO 0.21 -0.55 0.61 0.21 -1.32 0.00 0.00 176.35 175.51 2nni s ASN 468 N 1.78 7.07 -0.15 3.68 2.47 -1.26 -4.98 114.94 123.55 2nni s ASN 468 Ca 0.22 1.27 0.14 0.00 0.42 0.00 0.00 52.86 54.91 2nni s ASN 468 Cb -0.15 -2.38 0.36 0.00 -1.45 0.00 0.00 41.25 37.63 2nni s ASN 468 CO 0.14 0.19 1.18 0.35 -3.72 0.00 0.00 177.10 175.25 2nni n THR 469 N 2.13 1.67 -3.40 -5.21 -2.24 -1.26 -4.75 114.28 101.22 2nni n THR 469 Ca -0.08 -2.46 -0.38 0.00 -2.27 0.00 0.00 64.05 58.86 2nni n THR 469 Cb 0.51 -0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.65 2nni n THR 469 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2nni s THR 470 N -2.47 5.22 0.69 4.28 2.01 -1.26 -4.90 115.64 119.21 2nni s THR 470 Ca 0.33 0.76 -0.13 0.00 0.31 0.00 0.00 61.69 62.97 2nni s THR 470 Cb 0.32 -3.74 0.01 0.00 0.01 0.00 0.00 72.50 69.11 2nni s THR 470 CO -0.05 0.31 1.08 0.00 -0.69 0.00 0.00 174.62 175.28 2nni s ALA 471 N 0.83 2.49 -0.33 7.40 0.00 -1.26 -3.87 121.76 127.02 2nni s ALA 471 Ca 0.21 0.34 -0.06 0.00 0.00 0.00 0.00 51.96 52.45 2nni s ALA 471 Cb -0.14 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.75 2nni s ALA 471 CO 0.08 -1.34 0.10 0.14 0.00 0.00 0.00 175.76 174.74 2nni s VAL 472 N -2.68 3.79 -0.47 0.00 -7.23 0.89 -4.93 120.40 109.78 2nni s VAL 472 Ca 0.63 -1.07 0.03 0.00 -1.81 0.00 0.00 61.98 59.75 2nni s VAL 472 Cb -0.17 -3.12 0.59 0.00 0.56 0.00 0.00 36.38 34.23 2nni s VAL 472 CO 0.48 -0.14 1.90 0.41 -0.31 0.00 0.00 175.10 177.44 2nni n THR 473 N 4.82 3.17 -0.43 5.32 -1.04 -1.26 -2.11 114.28 122.75 2nni n THR 473 Ca -0.13 -2.00 -0.08 0.00 -2.04 0.00 0.00 64.05 59.79 2nni n THR 473 Cb 0.45 -0.64 -0.05 0.00 -1.82 0.00 0.00 70.33 68.27 2nni n THR 473 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2nni n LYS 474 N -0.99 1.00 0.00 -2.82 4.81 -1.26 -4.24 118.16 114.66 2nni n LYS 474 Ca 0.57 -0.66 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 2nni n LYS 474 Cb 1.41 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 34.54 2nni n LYS 474 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2nni n GLY 475 N 3.19 0.45 0.26 3.14 0.00 -1.26 -4.31 105.19 106.66 2nni n GLY 475 Ca 0.21 -1.35 0.11 0.00 0.00 0.00 0.00 46.02 45.00 2nni n GLY 475 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2nni h ILE 476 N 3.50 0.70 -3.67 -0.61 2.10 -1.84 -3.38 117.51 114.33 2nni h ILE 476 Ca 0.00 -0.46 -0.69 0.00 1.08 0.00 0.00 64.86 64.79 2nni h ILE 476 Cb 0.00 1.28 -0.32 0.00 -1.09 0.00 0.00 36.82 36.69 2nni h ILE 476 CO 0.00 0.11 -0.63 -0.69 -1.08 0.00 0.00 178.15 175.86 2nni s VAL 477 N -4.39 3.34 0.35 2.19 1.01 -1.26 -4.47 120.40 117.17 2nni s VAL 477 Ca -0.03 -1.45 -0.29 0.00 0.00 0.00 0.00 61.98 60.21 2nni s VAL 477 Cb 0.14 -3.00 -0.11 0.00 0.00 0.00 0.00 36.38 33.41 2nni s VAL 477 CO 0.61 -0.27 1.52 -0.24 0.00 0.00 0.00 175.10 176.72 2nni n SER 478 N 4.69 3.80 -4.23 3.32 2.88 -0.42 -4.86 113.62 118.80 2nni n SER 478 Ca -0.10 1.20 -0.25 0.00 -1.33 0.00 0.00 58.87 58.39 2nni n SER 478 Cb 0.43 -1.61 -0.14 0.00 -0.75 0.00 0.00 64.21 62.14 2nni n SER 478 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2nni s LEU 479 N -1.52 2.16 0.58 2.46 1.43 -0.90 -4.78 118.68 118.12 2nni s LEU 479 Ca 0.57 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 53.01 2nni s LEU 479 Cb -0.48 -0.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 2nni s LEU 479 CO 0.59 0.14 1.03 -2.16 0.23 0.00 0.00 176.35 176.18 2nni s PRO 480 N -1.14 3.48 0.73 1.29 0.04 -1.26 -0.08 135.00 138.06 2nni s PRO 480 Ca 0.06 1.08 -0.15 0.00 0.04 0.00 0.00 61.00 62.03 2nni s PRO 480 Cb -0.09 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.43 2nni s PRO 480 CO 0.02 -0.67 1.21 -1.25 0.04 0.00 0.00 177.00 176.35 2nni s PRO 481 N -4.25 2.11 0.25 0.56 0.04 -1.25 -4.76 135.00 127.70 2nni s PRO 481 Ca 0.61 1.78 -0.30 0.00 0.04 0.00 0.00 61.00 63.13 2nni s PRO 481 Cb -0.14 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 2nni s PRO 481 CO 0.38 -1.86 1.11 0.45 0.04 0.00 0.00 177.00 177.13 2nni s SER 482 N -2.00 7.24 0.32 6.66 0.15 -1.26 -5.03 113.70 119.78 2nni s SER 482 Ca 0.75 2.23 -0.07 0.00 0.70 0.00 0.00 55.95 59.56 2nni s SER 482 Cb -0.30 -2.62 0.01 0.00 -1.71 0.00 0.00 66.02 61.40 2nni s SER 482 CO 0.45 -0.19 0.50 -0.72 1.20 0.00 0.00 173.24 174.49 2nni s TYR 483 N -0.85 0.77 0.08 3.44 -0.85 -1.26 -5.05 117.35 113.64 2nni s TYR 483 Ca 0.46 -1.09 0.08 0.00 -0.52 0.00 0.00 57.07 56.00 2nni s TYR 483 Cb -0.32 0.08 -0.03 0.00 0.38 0.00 0.00 41.96 42.08 2nni s TYR 483 CO 0.39 -1.14 -0.20 -0.65 -1.52 0.00 0.00 175.55 172.44 2nni s GLN 484 N -3.24 1.14 0.04 -3.49 -0.21 -1.26 -4.43 119.66 108.21 2nni s GLN 484 Ca 0.27 -1.07 -0.09 0.00 0.02 0.00 0.00 55.36 54.49 2nni s GLN 484 Cb -0.01 -1.34 0.00 0.00 1.00 0.00 0.00 33.01 32.66 2nni s GLN 484 CO 0.16 0.32 0.18 -1.50 -2.12 0.00 0.00 175.29 172.33 2nni s ILE 485 N -1.08 0.11 -0.26 1.08 2.07 0.25 -4.42 121.20 118.95 2nni s ILE 485 Ca 0.06 -0.94 -0.02 0.00 -1.41 0.00 0.00 60.65 58.33 2nni s ILE 485 Cb -0.10 -0.94 0.03 0.00 0.13 0.00 0.00 42.46 41.59 2nni s ILE 485 CO 0.03 -0.52 -0.04 0.00 -1.91 0.00 0.00 174.94 172.50 2nni s PHE 487 N 1.33 2.60 -0.44 0.00 0.40 -1.26 -1.34 117.98 119.27 2nni s PHE 487 Ca -0.00 -0.41 -0.20 0.00 -0.60 0.00 0.00 56.93 55.72 2nni s PHE 487 Cb -0.17 -4.35 0.03 0.00 0.51 0.00 0.00 43.02 39.04 2nni s PHE 487 CO -0.03 -1.72 0.59 0.42 0.70 0.00 0.00 175.22 175.18 2nni s ILE 488 N 4.40 4.89 0.05 0.64 1.01 -0.50 -3.44 121.20 128.25 2nni s ILE 488 Ca 0.25 -0.05 -0.34 0.00 0.00 0.00 0.00 60.65 60.51 2nni s ILE 488 Cb -0.15 -4.18 -0.13 0.00 0.01 0.00 0.00 42.46 38.01 2nni s ILE 488 CO 0.12 -0.58 1.71 -0.81 0.00 0.00 0.00 174.94 175.38 2nni n PRO 489 N 6.11 2.14 0.00 2.79 -0.04 -1.26 -0.35 135.00 144.39 2nni n PRO 489 Ca -0.03 0.78 0.02 0.00 -0.04 0.00 0.00 63.50 64.22 2nni n PRO 489 Cb 0.47 -2.58 0.12 0.00 -0.04 0.00 0.00 33.50 31.47 2nni n PRO 489 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79