#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cas h VAL 38 N 0.00 0.87 -0.34 1.61 2.07 -1.92 -3.18 116.25 115.36 2cas h VAL 38 Ca 0.00 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 2cas h VAL 38 Cb 0.00 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2cas h VAL 38 CO 0.00 0.18 0.03 0.61 0.02 0.00 0.00 177.57 178.41 2cas n GLY 39 N 0.09 2.41 3.20 2.17 0.00 -1.26 -4.86 105.19 106.95 2cas n GLY 39 Ca -0.09 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 2cas n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cas s ILE 40 N -1.98 2.24 0.40 -0.61 -1.09 -1.22 -5.10 121.20 113.83 2cas s ILE 40 Ca 0.31 -0.92 -0.25 0.00 -2.23 0.00 0.00 60.65 57.55 2cas s ILE 40 Cb 0.24 -1.90 -0.09 0.00 -1.58 0.00 0.00 42.46 39.13 2cas s ILE 40 CO 0.09 0.54 1.13 -0.44 -1.23 0.00 0.00 174.94 175.02 2cas s SER 41 N 0.78 6.62 -0.15 3.58 0.01 -1.26 -3.68 113.70 119.60 2cas s SER 41 Ca -0.07 2.24 0.16 0.00 1.31 0.00 0.00 55.95 59.59 2cas s SER 41 Cb -0.16 -2.61 0.47 0.00 0.21 0.00 0.00 66.02 63.94 2cas s SER 41 CO -0.01 -0.60 1.37 0.35 0.41 0.00 0.00 173.24 174.76 2cas n THR 42 N 0.07 2.06 -3.88 1.44 -2.24 -1.26 -4.89 114.28 105.58 2cas n THR 42 Ca 0.04 -1.79 -0.03 0.00 -2.27 0.00 0.00 64.05 60.00 2cas n THR 42 Cb 0.47 -0.14 0.02 0.00 -2.10 0.00 0.00 70.33 68.58 2cas n THR 42 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2cas s GLY 43 N -1.89 0.09 -0.02 3.38 0.00 -1.26 -4.70 107.32 102.93 2cas s GLY 43 Ca 0.38 -0.31 0.05 0.00 0.00 0.00 0.00 44.72 44.84 2cas s GLY 43 CO 0.09 2.41 -0.16 -1.59 0.00 0.00 0.00 173.10 173.84 2cas s THR 44 N -2.21 1.31 0.17 0.90 2.01 -1.26 -5.00 115.64 111.56 2cas s THR 44 Ca 0.22 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 2cas s THR 44 Cb -0.02 -1.09 -0.07 0.00 0.01 0.00 0.00 72.50 71.32 2cas s THR 44 CO 0.05 0.37 0.97 0.12 -0.69 0.00 0.00 174.62 175.45 2cas s PHE 45 N -0.34 3.84 -0.22 4.92 2.19 -1.26 -5.00 117.98 122.11 2cas s PHE 45 Ca 0.05 1.81 -0.06 0.00 0.33 0.00 0.00 56.93 59.07 2cas s PHE 45 Cb -0.07 -3.06 0.11 0.00 -1.31 0.00 0.00 43.02 38.69 2cas s PHE 45 CO -0.00 0.17 0.44 1.21 1.83 0.00 0.00 175.22 178.87 2cas s ASN 46 N -0.43 -0.31 -0.18 6.13 3.84 -1.26 -5.01 114.94 117.72 2cas s ASN 46 Ca 0.45 0.89 0.18 0.00 0.21 0.00 0.00 52.86 54.59 2cas s ASN 46 Cb -0.25 1.45 0.46 0.00 -0.55 0.00 0.00 41.25 42.36 2cas s ASN 46 CO 0.31 -0.25 1.16 -3.20 -2.79 0.00 0.00 177.10 172.34 2cas n ASN 47 N 5.39 2.14 -4.76 -4.21 5.15 -1.26 -3.05 115.26 114.66 2cas n ASN 47 Ca -0.07 -2.73 -0.36 0.00 -0.60 0.00 0.00 54.58 50.82 2cas n ASN 47 Cb 0.50 -0.41 -0.07 0.00 -0.53 0.00 0.00 39.78 39.26 2cas n ASN 47 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2cas s GLN 48 N -2.58 4.05 -0.19 1.20 -0.21 -1.24 -4.85 119.66 115.84 2cas s GLN 48 Ca 0.36 -0.12 -0.05 0.00 0.02 0.00 0.00 55.36 55.58 2cas s GLN 48 Cb 0.37 -3.37 -0.02 0.00 1.00 0.00 0.00 33.01 30.98 2cas s GLN 48 CO -0.07 0.39 -0.01 0.95 -2.12 0.00 0.00 175.29 174.43 2cas s THR 49 N 0.07 3.91 -0.09 -0.19 -4.23 -1.26 -2.47 115.64 111.37 2cas s THR 49 Ca 0.12 -0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 60.25 2cas s THR 49 Cb -0.12 -2.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.93 2cas s THR 49 CO 0.01 0.44 0.07 -1.61 -0.54 0.00 0.00 174.62 172.99 2cas s GLU 50 N 0.88 3.19 -0.28 3.99 2.02 0.67 -4.94 118.70 124.22 2cas s GLU 50 Ca 0.00 -0.29 -0.02 0.00 0.02 0.00 0.00 54.97 54.68 2cas s GLU 50 Cb -0.14 -2.97 0.04 0.00 0.10 0.00 0.00 34.13 31.16 2cas s GLU 50 CO 0.02 0.73 -0.02 -0.06 0.02 0.00 0.00 175.26 175.95 2cas s PHE 51 N -0.98 3.20 -0.33 1.61 0.40 -1.26 -0.54 117.98 120.09 2cas s PHE 51 Ca 0.15 -1.77 0.03 0.00 -0.60 0.00 0.00 56.93 54.74 2cas s PHE 51 Cb -0.12 -2.09 0.10 0.00 0.51 0.00 0.00 43.02 41.42 2cas s PHE 51 CO 0.04 -0.78 0.04 0.21 0.70 0.00 0.00 175.22 175.43 2cas s LYS 52 N 1.27 1.50 0.11 0.44 2.20 -0.84 -4.94 119.74 119.49 2cas s LYS 52 Ca -0.04 -1.75 -0.31 0.00 -0.36 0.00 0.00 55.97 53.51 2cas s LYS 52 Cb -0.19 -3.08 -0.10 0.00 -1.51 0.00 0.00 37.83 32.96 2cas s LYS 52 CO -0.02 -0.90 1.75 -0.06 -0.36 0.00 0.00 175.35 175.76 2cas s PHE 53 N 0.98 2.31 0.00 4.03 0.08 -1.26 -1.56 117.98 122.56 2cas s PHE 53 Ca 0.09 0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.27 2cas s PHE 53 Cb -0.19 -4.09 0.00 0.00 -0.57 0.00 0.00 43.02 38.17 2cas s PHE 53 CO -0.09 -4.44 0.00 1.28 -0.10 0.00 0.00 175.22 171.87 2cas n LEU 54 N 5.52 0.00 -4.79 -0.37 4.32 0.28 -4.97 117.00 116.98 2cas n LEU 54 Ca 0.17 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.84 2cas n LEU 54 Cb 0.39 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.12 2cas n LEU 54 CO 0.64 0.00 -0.25 -1.61 -1.22 0.00 0.00 177.39 174.96 2cas s GLU 55 N 3.87 3.01 -0.99 3.23 0.41 -1.26 -4.48 118.70 122.49 2cas s GLU 55 Ca 0.00 -0.58 -0.05 0.00 -0.41 0.00 0.00 54.97 53.92 2cas s GLU 55 Cb 0.00 -2.81 0.01 0.00 -1.78 0.00 0.00 34.13 29.54 2cas s GLU 55 CO 0.00 0.60 0.67 0.09 -0.49 0.00 0.00 175.26 176.13 2cas n ASN 56 N 0.71 -4.92 -3.41 -0.19 4.13 -1.26 -3.83 115.26 106.49 2cas n ASN 56 Ca -0.10 -0.30 -0.17 0.00 1.68 0.00 0.00 54.58 55.69 2cas n ASN 56 Cb 0.52 -3.61 0.08 0.00 -1.54 0.00 0.00 39.78 35.22 2cas n ASN 56 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2cas n GLY 57 N -1.45 -0.57 3.10 7.41 0.00 -1.26 -4.94 105.19 107.48 2cas n GLY 57 Ca -0.03 0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 2cas n GLY 57 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2cas s TRP 58 N -3.39 1.88 0.17 1.61 0.52 -1.25 -1.43 118.94 117.05 2cas s TRP 58 Ca 0.13 -0.74 0.09 0.00 0.02 0.00 0.00 56.10 55.60 2cas s TRP 58 Cb -0.02 -1.32 -0.04 0.00 -1.15 0.00 0.00 33.47 30.94 2cas s TRP 58 CO 0.74 -0.34 -0.10 0.14 0.02 0.00 0.00 176.95 177.42 2cas s VAL 59 N 0.55 3.20 -0.32 4.03 -7.23 0.23 -0.56 120.40 120.30 2cas s VAL 59 Ca -0.16 -1.61 0.02 0.00 -1.81 0.00 0.00 61.98 58.42 2cas s VAL 59 Cb -0.17 -2.57 0.10 0.00 0.56 0.00 0.00 36.38 34.30 2cas s VAL 59 CO 0.06 -0.08 0.06 -0.70 -0.31 0.00 0.00 175.10 174.12 2cas s GLU 60 N -2.75 1.25 -0.12 4.82 2.12 -0.60 0.55 118.70 123.97 2cas s GLU 60 Ca 0.24 -1.57 -0.24 0.00 0.36 0.00 0.00 54.97 53.76 2cas s GLU 60 Cb -0.09 -2.78 -0.03 0.00 0.26 0.00 0.00 34.13 31.49 2cas s GLU 60 CO 0.15 -0.93 0.74 0.42 -0.54 0.00 0.00 175.26 175.09 2cas s ILE 61 N 1.16 4.98 -0.23 -3.70 1.01 -0.45 -1.98 121.20 121.99 2cas s ILE 61 Ca 0.10 1.48 -0.01 0.00 0.00 0.00 0.00 60.65 62.21 2cas s ILE 61 Cb -0.18 -4.06 0.07 0.00 0.01 0.00 0.00 42.46 38.29 2cas s ILE 61 CO -0.13 0.15 0.02 0.28 0.00 0.00 0.00 174.94 175.26 2cas s THR 62 N 1.43 0.90 -0.32 2.92 -1.32 0.30 -0.90 115.64 118.65 2cas s THR 62 Ca 0.37 -0.92 -0.22 0.00 -1.21 0.00 0.00 61.69 59.70 2cas s THR 62 Cb -0.17 -1.39 -0.00 0.00 -1.51 0.00 0.00 72.50 69.43 2cas s THR 62 CO 0.15 -0.27 0.73 0.00 -2.21 0.00 0.00 174.62 173.02 2cas s ALA 63 N 1.67 3.51 -0.17 11.08 0.00 0.60 -0.24 121.76 138.21 2cas s ALA 63 Ca -0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 51.96 51.33 2cas s ALA 63 Cb -0.18 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2cas s ALA 63 CO -0.10 -1.21 0.06 -0.80 0.00 0.00 0.00 175.76 173.70 2cas s ASN 64 N 1.67 5.64 -0.03 0.00 0.01 -1.03 -1.11 114.94 120.09 2cas s ASN 64 Ca 0.29 0.11 0.03 0.00 -0.71 0.00 0.00 52.86 52.58 2cas s ASN 64 Cb -0.14 -1.93 0.00 0.00 0.41 0.00 0.00 41.25 39.59 2cas s ASN 64 CO 0.13 0.20 -0.10 -0.55 -1.51 0.00 0.00 177.10 175.28 2cas s SER 65 N 0.19 1.27 -0.02 -1.22 0.15 -0.30 -3.67 113.70 110.11 2cas s SER 65 Ca 0.04 -0.20 0.02 0.00 0.70 0.00 0.00 55.95 56.51 2cas s SER 65 Cb -0.12 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 2cas s SER 65 CO 0.00 0.07 -0.05 -0.44 1.20 0.00 0.00 173.24 174.03 2cas s SER 66 N 0.16 0.72 0.07 5.45 0.01 -1.20 -0.92 113.70 117.99 2cas s SER 66 Ca -0.03 -0.11 -0.03 0.00 1.31 0.00 0.00 55.95 57.10 2cas s SER 66 Cb -0.08 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 2cas s SER 66 CO 0.01 0.03 0.04 -0.13 0.41 0.00 0.00 173.24 173.59 2cas s ARG 67 N 0.21 0.71 -0.26 12.44 1.81 -0.52 -4.72 118.95 128.61 2cas s ARG 67 Ca -0.02 -1.17 -0.08 0.00 -1.72 0.00 0.00 55.73 52.74 2cas s ARG 67 Cb -0.06 0.25 -0.03 0.00 -0.45 0.00 0.00 34.95 34.65 2cas s ARG 67 CO -0.00 -0.17 0.10 -1.17 -0.68 0.00 0.00 175.30 173.38 2cas s LEU 68 N -2.92 3.61 -0.12 2.53 2.96 -1.26 -0.83 118.68 122.66 2cas s LEU 68 Ca 0.08 -0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 53.79 2cas s LEU 68 Cb 0.07 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 2cas s LEU 68 CO -0.09 -0.04 0.05 -0.69 -1.32 0.00 0.00 176.35 174.25 2cas s VAL 69 N 1.66 4.70 -0.10 1.68 1.01 0.38 0.41 120.40 130.14 2cas s VAL 69 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2cas s VAL 69 Cb -0.15 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 2cas s VAL 69 CO 0.06 0.57 -0.08 -2.28 0.00 0.00 0.00 175.10 173.36 2cas s HIS 70 N -0.57 2.90 -0.03 5.22 2.46 0.18 -1.63 115.29 123.82 2cas s HIS 70 Ca 0.10 -0.20 -0.01 0.00 0.47 0.00 0.00 55.06 55.42 2cas s HIS 70 Cb -0.12 -1.78 0.03 0.00 -0.13 0.00 0.00 32.58 30.58 2cas s HIS 70 CO 0.02 0.13 0.06 -1.17 -2.47 0.00 0.00 174.74 171.31 2cas s LEU 71 N -0.32 1.16 0.20 8.88 2.96 -0.19 -4.30 118.68 127.07 2cas s LEU 71 Ca 0.04 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.10 2cas s LEU 71 Cb -0.13 0.07 -0.03 0.00 0.50 0.00 0.00 46.19 46.60 2cas s LEU 71 CO 0.02 -0.11 0.32 0.20 -1.32 0.00 0.00 176.35 175.46 2cas s ASN 72 N 0.88 6.28 0.83 3.68 0.01 -1.26 -1.27 114.94 124.09 2cas s ASN 72 Ca -0.07 0.10 -0.11 0.00 -0.71 0.00 0.00 52.86 52.07 2cas s ASN 72 Cb -0.10 -1.85 0.09 0.00 0.41 0.00 0.00 41.25 39.80 2cas s ASN 72 CO -0.03 -0.01 1.10 0.00 -1.51 0.00 0.00 177.10 176.65 2cas s MET 73 N -3.64 1.73 0.45 -0.60 0.23 -1.14 -4.75 119.30 111.58 2cas s MET 73 Ca 0.34 1.21 -0.22 0.00 -1.03 0.00 0.00 55.69 55.99 2cas s MET 73 Cb -0.10 -1.83 -0.09 0.00 -1.53 0.00 0.00 34.83 31.28 2cas s MET 73 CO 0.28 -2.02 1.04 -1.25 -2.03 0.00 0.00 175.02 171.04 2cas s PRO 74 N -4.83 3.94 0.24 3.16 0.05 -1.26 -4.90 135.00 131.40 2cas s PRO 74 Ca 0.63 1.41 -0.10 0.00 0.05 0.00 0.00 61.00 62.99 2cas s PRO 74 Cb -0.19 -2.26 0.37 0.00 0.05 0.00 0.00 34.50 32.47 2cas s PRO 74 CO 0.57 -0.32 1.61 1.49 0.05 0.00 0.00 177.00 180.40 2cas h GLU 75 N 1.91 0.02 -4.81 4.56 4.22 -1.94 -3.42 114.58 115.13 2cas h GLU 75 Ca -0.49 -0.00 -0.33 0.00 0.08 0.00 0.00 59.36 58.62 2cas h GLU 75 Cb 1.22 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.32 2cas h GLU 75 CO 0.60 0.01 -0.61 0.45 -2.18 0.00 0.00 179.01 177.29 2cas s SER 76 N -5.22 0.98 -0.23 1.04 0.15 -1.26 -5.05 113.70 104.10 2cas s SER 76 Ca -0.14 -1.42 0.13 0.00 0.70 0.00 0.00 55.95 55.22 2cas s SER 76 Cb 0.23 0.26 0.50 0.00 -1.71 0.00 0.00 66.02 65.29 2cas s SER 76 CO 0.75 -0.79 1.42 1.21 1.20 0.00 0.00 173.24 177.03 2cas n GLU 77 N -0.44 2.20 -4.35 5.44 4.07 -1.26 -4.75 120.64 121.55 2cas n GLU 77 Ca 0.01 -3.00 -0.24 0.00 -0.06 0.00 0.00 57.16 53.86 2cas n GLU 77 Cb 0.66 -1.80 -0.09 0.00 -0.06 0.00 0.00 31.44 30.16 2cas n GLU 77 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 2cas s ASN 78 N -2.35 4.16 -0.02 4.31 0.01 -1.26 -4.90 114.94 114.89 2cas s ASN 78 Ca 0.43 -0.97 -0.16 0.00 -0.71 0.00 0.00 52.86 51.45 2cas s ASN 78 Cb 0.37 -0.54 -0.05 0.00 0.41 0.00 0.00 41.25 41.44 2cas s ASN 78 CO 0.03 -0.20 0.44 -0.31 -1.51 0.00 0.00 177.10 175.56 2cas s TYR 79 N -2.50 3.68 -0.03 2.20 1.51 -1.26 -3.98 117.35 116.96 2cas s TYR 79 Ca 0.34 0.99 0.06 0.00 -1.01 0.00 0.00 57.07 57.46 2cas s TYR 79 Cb -0.01 -2.37 -0.02 0.00 -0.11 0.00 0.00 41.96 39.45 2cas s TYR 79 CO 0.19 0.52 -0.22 1.03 -1.11 0.00 0.00 175.55 175.96 2cas s ARG 80 N -0.66 2.30 -0.42 -0.62 0.52 0.05 -4.95 118.95 115.16 2cas s ARG 80 Ca 0.25 -0.86 -0.05 0.00 -0.52 0.00 0.00 55.73 54.55 2cas s ARG 80 Cb -0.17 -2.16 0.11 0.00 0.52 0.00 0.00 34.95 33.25 2cas s ARG 80 CO 0.13 0.55 0.24 0.50 0.02 0.00 0.00 175.30 176.74 2cas s ARG 81 N -0.58 2.16 -0.03 3.54 3.52 -1.26 0.71 118.95 127.02 2cas s ARG 81 Ca 0.08 -1.77 0.04 0.00 -0.13 0.00 0.00 55.73 53.95 2cas s ARG 81 Cb -0.11 -3.67 -0.03 0.00 -1.56 0.00 0.00 34.95 29.58 2cas s ARG 81 CO 0.00 -1.09 -0.13 0.08 -0.81 0.00 0.00 175.30 173.35 2cas s VAL 82 N 1.21 3.14 -0.01 7.11 1.01 -0.64 -5.00 120.40 127.23 2cas s VAL 82 Ca 0.07 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.29 2cas s VAL 82 Cb -0.24 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2cas s VAL 82 CO -0.03 0.52 -0.09 -0.69 0.00 0.00 0.00 175.10 174.81 2cas s VAL 83 N -0.81 3.47 -0.25 2.92 1.01 -1.26 -1.26 120.40 124.23 2cas s VAL 83 Ca 0.13 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2cas s VAL 83 Cb -0.11 -2.47 0.04 0.00 0.00 0.00 0.00 36.38 33.84 2cas s VAL 83 CO 0.02 0.44 -0.09 -0.69 0.00 0.00 0.00 175.10 174.79 2cas s VAL 84 N -0.93 2.55 -0.48 2.92 1.01 0.11 -5.00 120.40 120.58 2cas s VAL 84 Ca 0.15 -1.24 0.04 0.00 0.00 0.00 0.00 61.98 60.93 2cas s VAL 84 Cb -0.11 -2.34 0.13 0.00 0.00 0.00 0.00 36.38 34.05 2cas s VAL 84 CO 0.05 0.15 0.22 0.21 0.00 0.00 0.00 175.10 175.74 2cas s ASN 85 N 1.24 4.28 -0.29 3.32 2.47 -1.26 -1.76 114.94 122.94 2cas s ASN 85 Ca -0.02 -2.81 0.03 0.00 0.42 0.00 0.00 52.86 50.47 2cas s ASN 85 Cb -0.17 -1.54 0.43 0.00 -1.45 0.00 0.00 41.25 38.52 2cas s ASN 85 CO -0.06 -0.26 1.59 -0.46 -3.72 0.00 0.00 177.10 174.19 2cas n ASN 86 N 3.36 3.49 -0.28 -4.21 6.94 -1.26 -4.63 115.26 118.67 2cas n ASN 86 Ca 0.05 -3.03 0.25 0.00 -0.02 0.00 0.00 54.58 51.83 2cas n ASN 86 Cb 0.34 -0.72 0.44 0.00 -2.36 0.00 0.00 39.78 37.48 2cas n ASN 86 CO 0.00 0.00 0.00 0.80 -1.03 0.00 0.00 177.26 177.03 2cas n MET 87 N -0.56 -0.03 -0.02 -3.83 1.56 -1.26 0.91 117.12 113.89 2cas n MET 87 Ca 0.39 0.89 0.07 0.00 -0.27 0.00 0.00 57.70 58.78 2cas n MET 87 Cb 1.26 -1.69 0.47 0.00 2.15 0.00 0.00 33.22 35.41 2cas n MET 87 CO 0.00 0.00 0.00 0.38 -0.73 0.00 0.00 175.97 175.62 2cas h ASP 88 N 0.00 0.41 0.64 6.12 3.04 -1.98 0.66 116.42 125.30 2cas h ASP 88 Ca 0.59 -0.00 -0.27 0.00 -3.24 0.00 0.00 57.03 54.10 2cas h ASP 88 Cb 1.76 -0.09 -0.01 0.00 -1.04 0.00 0.00 39.33 39.95 2cas h ASP 88 CO -0.41 0.28 -1.30 0.50 -2.04 0.00 0.00 179.24 176.27 2cas h LYS 89 N 0.47 0.22 0.00 4.15 1.63 0.13 -3.19 116.57 119.98 2cas h LYS 89 Ca 0.19 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 2cas h LYS 89 Cb 0.17 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 2cas h LYS 89 CO -0.05 1.14 -0.44 1.79 -3.45 0.00 0.00 179.45 178.44 2cas h THR 90 N 0.06 0.00 0.00 1.00 1.35 -1.37 -3.14 112.91 110.81 2cas h THR 90 Ca -0.15 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 2cas h THR 90 Cb 1.96 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 2cas h THR 90 CO 0.18 0.00 0.08 0.00 -0.25 0.00 0.00 175.52 175.53 2cas h ALA 91 N 2.34 1.08 -2.04 6.62 0.00 0.34 -3.38 119.26 124.22 2cas h ALA 91 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 2cas h ALA 91 Cb 0.83 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.53 2cas h ALA 91 CO 0.00 -0.08 0.60 0.08 0.00 0.00 0.00 179.25 179.85 2cas s VAL 92 N -4.09 4.58 0.40 0.00 1.01 -1.19 -5.01 120.40 116.10 2cas s VAL 92 Ca -0.04 1.18 -0.24 0.00 0.00 0.00 0.00 61.98 62.87 2cas s VAL 92 Cb 0.12 -4.33 -0.11 0.00 0.00 0.00 0.00 36.38 32.05 2cas s VAL 92 CO 0.36 -0.54 0.94 0.59 0.00 0.00 0.00 175.10 176.45 2cas n ASN 93 N 6.78 0.95 0.00 3.32 4.13 -1.26 -2.61 115.26 126.57 2cas n ASN 93 Ca 0.07 1.04 0.00 0.00 1.68 0.00 0.00 54.58 57.37 2cas n ASN 93 Cb 0.48 -1.31 0.00 0.00 -1.54 0.00 0.00 39.78 37.41 2cas n ASN 93 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2cas n GLY 94 N 1.28 0.77 0.46 7.41 0.00 -1.17 -4.07 105.19 109.87 2cas n GLY 94 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.18 2cas n GLY 94 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2cas n ASN 95 N 0.00 2.91 -0.35 1.61 4.13 -1.07 -4.82 115.26 117.66 2cas n ASN 95 Ca 0.00 -2.56 0.13 0.00 1.68 0.00 0.00 54.58 53.83 2cas n ASN 95 Cb 0.00 -0.33 0.32 0.00 -1.54 0.00 0.00 39.78 38.24 2cas n ASN 95 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2cas h MET 96 N 1.10 0.75 0.00 3.52 -0.00 -1.84 0.17 114.93 118.62 2cas h MET 96 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 2cas h MET 96 Cb 0.97 -0.17 0.00 0.00 -0.00 0.00 0.00 31.60 32.40 2cas h MET 96 CO 0.07 0.49 0.00 0.00 -0.00 0.00 0.00 176.91 177.47 2cas n ALA 97 N -2.33 1.34 0.71 -3.00 0.00 -1.26 -1.98 120.51 113.99 2cas n ALA 97 Ca 0.23 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.73 2cas n ALA 97 Cb 0.57 -1.09 0.23 0.00 0.00 0.00 0.00 19.45 19.15 2cas n ALA 97 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2cas n LEU 98 N -1.41 2.28 -4.69 0.00 4.77 0.58 -4.97 117.00 113.56 2cas n LEU 98 Ca 0.02 -1.10 -0.44 0.00 -0.03 0.00 0.00 56.01 54.46 2cas n LEU 98 Cb 0.06 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 2cas n LEU 98 CO 0.05 0.55 1.27 -0.67 -1.33 0.00 0.00 177.39 177.26 2cas n ASP 99 N 0.74 3.49 0.00 -1.43 2.03 -0.84 -4.86 116.55 115.68 2cas n ASP 99 Ca 0.15 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.54 2cas n ASP 99 Cb 0.37 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.28 2cas n ASP 99 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2cas n ASP 100 N 3.63 0.17 -4.70 1.67 8.00 -1.26 -5.08 116.55 118.98 2cas n ASP 100 Ca 0.16 -1.07 -0.42 0.00 0.71 0.00 0.00 54.79 54.18 2cas n ASP 100 Cb 0.31 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 2cas n ASP 100 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2cas s ILE 101 N -0.07 2.56 0.19 0.53 1.01 -1.24 -4.78 121.20 119.41 2cas s ILE 101 Ca 0.00 0.23 -0.23 0.00 0.00 0.00 0.00 60.65 60.65 2cas s ILE 101 Cb 0.00 -3.15 0.05 0.00 0.01 0.00 0.00 42.46 39.37 2cas s ILE 101 CO 0.00 0.01 0.81 -1.38 0.00 0.00 0.00 174.94 174.37 2cas s HIS 102 N 2.04 -0.23 0.12 3.97 -3.43 -0.72 -4.98 115.29 112.06 2cas s HIS 102 Ca 0.76 -0.11 0.09 0.00 -0.80 0.00 0.00 55.06 54.99 2cas s HIS 102 Cb -0.45 0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 31.31 2cas s HIS 102 CO 0.33 -0.97 -0.22 0.00 -2.00 0.00 0.00 174.74 171.88 2cas s ALA 103 N -3.59 1.98 0.12 -1.38 0.00 -1.26 -0.71 121.76 116.92 2cas s ALA 103 Ca 0.10 -1.34 -0.18 0.00 0.00 0.00 0.00 51.96 50.53 2cas s ALA 103 Cb -0.03 -0.27 0.05 0.00 0.00 0.00 0.00 23.12 22.87 2cas s ALA 103 CO 0.01 0.38 0.46 1.14 0.00 0.00 0.00 175.76 177.76 2cas s GLN 104 N -2.10 1.11 -0.20 0.00 -2.07 -0.39 -2.21 119.66 113.81 2cas s GLN 104 Ca 0.10 -0.59 -0.07 0.00 -1.82 0.00 0.00 55.36 52.97 2cas s GLN 104 Cb -0.09 0.50 -0.04 0.00 -1.09 0.00 0.00 33.01 32.29 2cas s GLN 104 CO 0.05 -0.45 0.06 0.42 -1.32 0.00 0.00 175.29 174.06 2cas s ILE 105 N -3.62 4.59 -0.25 3.63 -1.09 0.91 -1.62 121.20 123.75 2cas s ILE 105 Ca 0.01 -0.10 -0.12 0.00 -2.23 0.00 0.00 60.65 58.22 2cas s ILE 105 Cb 0.01 -3.09 -0.05 0.00 -1.58 0.00 0.00 42.46 37.75 2cas s ILE 105 CO -0.11 0.42 0.24 -0.69 -1.23 0.00 0.00 174.94 173.57 2cas s VAL 106 N 0.77 5.29 0.18 2.92 1.01 0.22 -1.93 120.40 128.86 2cas s VAL 106 Ca 0.03 0.32 0.09 0.00 0.00 0.00 0.00 61.98 62.42 2cas s VAL 106 Cb -0.13 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2cas s VAL 106 CO 0.02 0.28 -0.07 0.42 0.00 0.00 0.00 175.10 175.75 2cas s THR 107 N 1.41 3.30 -2.00 3.92 -4.23 -0.97 -0.77 115.64 116.30 2cas s THR 107 Ca 0.10 -1.63 0.07 0.00 -1.18 0.00 0.00 61.69 59.05 2cas s THR 107 Cb -0.15 -2.65 0.20 0.00 1.34 0.00 0.00 72.50 71.25 2cas s THR 107 CO 0.07 -0.13 0.99 -0.81 -0.54 0.00 0.00 174.62 174.21 2cas n PRO 108 N -0.04 0.67 -4.09 3.99 -0.04 -1.26 -4.53 135.00 129.70 2cas n PRO 108 Ca -0.10 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.12 2cas n PRO 108 Cb 0.56 -1.17 -0.05 0.00 -0.04 0.00 0.00 33.50 32.80 2cas n PRO 108 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2cas s TRP 109 N -2.00 3.15 0.07 0.54 0.52 -1.26 -4.74 118.94 115.21 2cas s TRP 109 Ca 0.11 -0.06 0.05 0.00 0.02 0.00 0.00 56.10 56.22 2cas s TRP 109 Cb 0.05 -1.47 -0.04 0.00 -1.15 0.00 0.00 33.47 30.86 2cas s TRP 109 CO 0.08 0.52 -0.04 -1.12 0.02 0.00 0.00 176.95 176.41 2cas s SER 110 N -3.46 4.79 -0.21 2.95 0.01 -0.15 0.76 113.70 118.38 2cas s SER 110 Ca 0.32 -0.21 -0.10 0.00 1.31 0.00 0.00 55.95 57.26 2cas s SER 110 Cb -0.09 -1.09 -0.05 0.00 0.21 0.00 0.00 66.02 65.00 2cas s SER 110 CO 0.24 0.20 0.14 -0.22 0.41 0.00 0.00 173.24 174.02 2cas s LEU 111 N -2.05 4.16 -0.56 2.44 2.96 0.68 -0.96 118.68 125.34 2cas s LEU 111 Ca 0.22 0.18 -0.18 0.00 -0.22 0.00 0.00 54.13 54.14 2cas s LEU 111 Cb -0.11 -2.09 0.10 0.00 0.50 0.00 0.00 46.19 44.59 2cas s LEU 111 CO 0.14 0.14 0.62 -0.69 -1.32 0.00 0.00 176.35 175.25 2cas s VAL 112 N 0.61 4.95 -0.18 1.68 1.01 -0.08 -1.50 120.40 126.90 2cas s VAL 112 Ca 0.08 -1.08 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 2cas s VAL 112 Cb -0.12 -4.41 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 2cas s VAL 112 CO 0.00 -1.00 -0.04 -0.62 0.00 0.00 0.00 175.10 173.45 2cas s ASP 113 N 3.47 4.60 -0.14 3.32 -1.08 -1.26 -4.44 116.67 121.14 2cas s ASP 113 Ca 0.09 -0.23 0.15 0.00 -0.52 0.00 0.00 52.55 52.04 2cas s ASP 113 Cb -0.25 -1.76 0.33 0.00 -1.46 0.00 0.00 42.92 39.78 2cas s ASP 113 CO 0.06 0.10 1.17 0.00 0.52 0.00 0.00 175.17 177.02 2cas n ALA 114 N 3.98 2.83 -3.17 3.66 0.00 -1.26 -1.09 120.51 125.45 2cas n ALA 114 Ca -0.18 -2.74 -0.45 0.00 0.00 0.00 0.00 53.44 50.08 2cas n ALA 114 Cb 0.52 -0.41 -0.00 0.00 0.00 0.00 0.00 19.45 19.55 2cas n ALA 114 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2cas s ASN 115 N -2.78 7.14 -0.26 0.00 2.47 -1.26 -4.82 114.94 115.43 2cas s ASN 115 Ca 0.32 -3.20 -0.23 0.00 0.42 0.00 0.00 52.86 50.17 2cas s ASN 115 Cb 0.30 -2.29 0.07 0.00 -1.45 0.00 0.00 41.25 37.88 2cas s ASN 115 CO -0.03 -0.53 0.68 0.00 -3.72 0.00 0.00 177.10 173.50 2cas s ALA 116 N 0.14 -1.71 0.22 1.71 0.00 -1.26 -3.81 121.76 117.06 2cas s ALA 116 Ca 0.34 1.99 -0.09 0.00 0.00 0.00 0.00 51.96 54.20 2cas s ALA 116 Cb -0.07 -1.16 0.34 0.00 0.00 0.00 0.00 23.12 22.23 2cas s ALA 116 CO -0.05 -0.33 1.69 -1.49 0.00 0.00 0.00 175.76 175.57 2cas h TRP 117 N 5.31 0.15 -0.01 0.00 4.06 -1.27 -2.27 115.95 121.92 2cas h TRP 117 Ca -0.29 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.70 2cas h TRP 117 Cb 1.17 0.03 -0.00 0.00 -1.00 0.00 0.00 29.16 29.36 2cas h TRP 117 CO 0.35 -0.09 0.26 0.78 -3.56 0.00 0.00 178.44 176.18 2cas h GLY 118 N 0.22 0.00 1.67 1.49 0.00 -1.44 -1.48 103.07 103.52 2cas h GLY 118 Ca 0.35 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.47 2cas h GLY 118 CO -0.47 0.00 -0.86 -2.08 0.00 0.00 0.00 176.54 173.12 2cas h VAL 119 N 0.00 1.44 0.00 4.60 2.07 -1.68 -3.39 116.25 119.29 2cas h VAL 119 Ca 0.01 -2.46 -0.37 0.00 0.82 0.00 0.00 66.70 64.70 2cas h VAL 119 Cb 0.52 2.37 -0.07 0.00 -1.52 0.00 0.00 31.29 32.60 2cas h VAL 119 CO -0.00 0.73 -2.40 0.79 0.02 0.00 0.00 177.57 176.71 2cas n TRP 120 N -3.73 0.00 -4.35 1.57 7.02 -0.68 -4.79 117.44 112.49 2cas n TRP 120 Ca -0.05 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.20 2cas n TRP 120 Cb 0.79 -0.97 -0.12 0.00 -2.42 0.00 0.00 31.31 28.59 2cas n TRP 120 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 2cas s PHE 121 N -2.49 1.95 0.38 -5.99 0.08 -0.65 -4.75 117.98 106.51 2cas s PHE 121 Ca -0.22 -0.43 0.08 0.00 0.12 0.00 0.00 56.93 56.48 2cas s PHE 121 Cb 0.07 -0.99 -0.02 0.00 -0.57 0.00 0.00 43.02 41.50 2cas s PHE 121 CO 0.70 0.34 0.33 0.54 -0.10 0.00 0.00 175.22 177.03 2cas s ASN 122 N -2.48 5.11 0.35 1.36 2.20 -1.26 -4.52 114.94 115.71 2cas s ASN 122 Ca 0.15 -0.65 0.15 0.00 -0.94 0.00 0.00 52.86 51.56 2cas s ASN 122 Cb -0.07 -0.74 1.07 0.00 -2.00 0.00 0.00 41.25 39.51 2cas s ASN 122 CO 0.07 -0.51 1.69 1.55 -2.94 0.00 0.00 177.10 176.96 2cas h PRO 123 N 1.15 0.37 0.43 3.55 0.13 -1.99 0.25 132.00 135.90 2cas h PRO 123 Ca -0.43 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 2cas h PRO 123 Cb 1.26 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2cas h PRO 123 CO 0.58 0.25 -0.21 0.78 -0.23 0.00 0.00 178.00 179.17 2cas h GLY 124 N 0.38 -0.60 0.99 1.56 0.00 -2.00 -1.34 103.07 102.06 2cas h GLY 124 Ca 0.70 0.22 -0.05 0.00 0.00 0.00 0.00 47.33 48.20 2cas h GLY 124 CO -0.52 -0.22 0.14 -0.55 0.00 0.00 0.00 176.54 175.39 2cas h ASP 125 N -0.59 0.80 -0.35 0.19 3.32 -1.34 -2.82 116.42 115.65 2cas h ASP 125 Ca -0.06 -0.23 0.03 0.00 0.02 0.00 0.00 57.03 56.80 2cas h ASP 125 Cb 0.45 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 2cas h ASP 125 CO 0.10 0.82 0.15 -0.25 -1.72 0.00 0.00 179.24 178.34 2cas h TRP 126 N 0.75 0.27 -0.59 4.55 2.91 -0.55 -1.73 115.95 121.56 2cas h TRP 126 Ca 0.17 0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.32 2cas h TRP 126 Cb 0.33 -0.07 -0.09 0.00 -0.51 0.00 0.00 29.16 28.81 2cas h TRP 126 CO 0.02 0.13 0.06 0.37 -1.03 0.00 0.00 178.44 177.99 2cas h GLN 127 N 0.32 0.17 -0.36 2.65 4.15 -0.99 -1.02 115.11 120.02 2cas h GLN 127 Ca 0.15 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.60 2cas h GLN 127 Cb 0.10 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.71 2cas h GLN 127 CO -0.13 0.11 0.13 1.25 -1.93 0.00 0.00 178.83 178.26 2cas h LEU 128 N 0.17 0.13 0.82 -2.39 5.85 -1.17 0.26 115.31 118.98 2cas h LEU 128 Ca 0.31 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 59.03 2cas h LEU 128 Cb 0.49 0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.55 2cas h LEU 128 CO -0.46 0.11 -0.39 0.40 -0.34 0.00 0.00 178.44 177.76 2cas h ILE 129 N 0.28 0.00 -0.87 4.05 2.04 -0.68 -2.07 117.51 120.26 2cas h ILE 129 Ca 0.16 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.99 2cas h ILE 129 Cb 0.14 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.17 2cas h ILE 129 CO -0.17 0.00 0.57 0.58 0.00 0.00 0.00 178.15 179.13 2cas h VAL 130 N -1.16 1.17 0.00 1.67 2.07 -1.22 0.17 116.25 118.95 2cas h VAL 130 Ca -0.11 -0.39 -0.18 0.00 0.82 0.00 0.00 66.70 66.85 2cas h VAL 130 Cb 0.84 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2cas h VAL 130 CO 0.18 0.20 -1.01 0.78 0.02 0.00 0.00 177.57 177.75 2cas h ASN 131 N 1.12 0.00 -0.00 0.57 2.35 -0.55 -3.40 115.58 115.67 2cas h ASN 131 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 2cas h ASN 131 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2cas h ASN 131 CO -0.10 0.75 -0.28 0.35 -1.65 0.00 0.00 177.43 176.49 2cas n THR 132 N -3.18 0.00 -4.02 2.81 -2.24 -0.78 -5.00 114.28 101.88 2cas n THR 132 Ca -0.03 -0.36 -0.21 0.00 -2.27 0.00 0.00 64.05 61.17 2cas n THR 132 Cb 0.87 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 70.07 2cas n THR 132 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2cas s MET 133 N -1.55 3.26 -0.00 -0.78 -1.94 0.58 -1.54 119.30 117.33 2cas s MET 133 Ca 0.03 -0.86 0.04 0.00 -1.71 0.00 0.00 55.69 53.18 2cas s MET 133 Cb 0.05 -2.78 -0.04 0.00 2.01 0.00 0.00 34.83 34.07 2cas s MET 133 CO 0.25 0.42 0.14 -1.13 -0.01 0.00 0.00 175.02 174.69 2cas n SER 134 N -1.33 0.70 -3.56 3.03 3.41 -0.24 -4.62 113.62 111.01 2cas n SER 134 Ca -0.09 -0.51 -0.16 0.00 -0.26 0.00 0.00 58.87 57.85 2cas n SER 134 Cb 0.57 1.02 -0.06 0.00 -0.26 0.00 0.00 64.21 65.49 2cas n SER 134 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2cas s GLU 135 N -1.46 1.01 -0.02 4.33 -1.05 -1.26 -1.77 118.70 118.47 2cas s GLU 135 Ca 0.01 0.05 0.06 0.00 -0.15 0.00 0.00 54.97 54.94 2cas s GLU 135 Cb 0.03 0.47 -0.01 0.00 -0.44 0.00 0.00 34.13 34.17 2cas s GLU 135 CO 0.15 -0.33 -0.20 -1.17 0.95 0.00 0.00 175.26 174.66 2cas s LEU 136 N -1.45 2.03 -0.10 1.83 2.96 0.26 -3.09 118.68 121.12 2cas s LEU 136 Ca -0.10 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 2cas s LEU 136 Cb -0.01 -1.07 0.02 0.00 0.50 0.00 0.00 46.19 45.63 2cas s LEU 136 CO 0.06 0.24 -0.13 -1.00 -1.32 0.00 0.00 176.35 174.20 2cas s HIS 137 N -0.41 1.79 -0.35 5.38 3.76 0.39 -1.20 115.29 124.65 2cas s HIS 137 Ca 0.06 -0.83 -0.22 0.00 -0.15 0.00 0.00 55.06 53.92 2cas s HIS 137 Cb -0.09 -1.33 0.00 0.00 1.11 0.00 0.00 32.58 32.28 2cas s HIS 137 CO -0.00 -0.46 0.72 -1.17 -0.85 0.00 0.00 174.74 172.98 2cas s LEU 138 N 1.09 4.17 -0.24 0.89 2.96 -1.26 -0.11 118.68 126.19 2cas s LEU 138 Ca -0.05 0.31 -0.14 0.00 -0.22 0.00 0.00 54.13 54.03 2cas s LEU 138 Cb -0.14 -2.93 -0.17 0.00 0.50 0.00 0.00 46.19 43.45 2cas s LEU 138 CO -0.02 -0.65 -0.07 0.52 -1.32 0.00 0.00 176.35 174.81 2cas n VAL 139 N 5.66 1.55 -3.90 1.68 0.31 0.11 -4.63 118.33 119.11 2cas n VAL 139 Ca 0.01 -0.31 -0.08 0.00 -0.01 0.00 0.00 64.34 63.95 2cas n VAL 139 Cb 0.48 -1.87 -0.02 0.00 -0.91 0.00 0.00 33.84 31.52 2cas n VAL 139 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2cas s SER 140 N -7.12 -0.12 -0.12 4.52 1.04 -0.71 -1.55 113.70 109.64 2cas s SER 140 Ca -0.33 -0.81 -0.09 0.00 0.48 0.00 0.00 55.95 55.20 2cas s SER 140 Cb 0.10 0.70 0.04 0.00 0.10 0.00 0.00 66.02 66.96 2cas s SER 140 CO 0.57 -1.33 0.31 0.12 0.98 0.00 0.00 173.24 173.88 2cas s PHE 141 N -3.69 -0.38 -0.01 5.02 5.36 -0.34 -1.82 117.98 122.11 2cas s PHE 141 Ca 0.16 0.90 -0.07 0.00 -0.96 0.00 0.00 56.93 56.95 2cas s PHE 141 Cb -0.04 0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.77 2cas s PHE 141 CO 0.09 -0.22 0.14 -1.21 -1.46 0.00 0.00 175.22 172.56 2cas s GLU 142 N 0.74 0.44 0.03 10.12 2.02 -0.64 -1.09 118.70 130.31 2cas s GLU 142 Ca -0.05 -0.30 -0.13 0.00 0.02 0.00 0.00 54.97 54.52 2cas s GLU 142 Cb -0.06 0.18 0.02 0.00 0.10 0.00 0.00 34.13 34.37 2cas s GLU 142 CO -0.05 -0.10 0.27 1.14 0.02 0.00 0.00 175.26 176.54 2cas s GLN 143 N -1.15 0.73 -0.01 1.61 -2.07 -1.26 0.49 119.66 118.00 2cas s GLN 143 Ca -0.12 -0.46 -0.16 0.00 -1.82 0.00 0.00 55.36 52.80 2cas s GLN 143 Cb -0.07 0.32 0.03 0.00 -1.09 0.00 0.00 33.01 32.20 2cas s GLN 143 CO 0.01 -0.22 0.34 -1.83 -1.32 0.00 0.00 175.29 172.28 2cas s GLU 144 N -2.22 0.71 -0.17 9.60 -1.05 0.68 -1.04 118.70 125.21 2cas s GLU 144 Ca -0.07 -0.17 -0.03 0.00 -0.15 0.00 0.00 54.97 54.55 2cas s GLU 144 Cb -0.02 0.32 -0.02 0.00 -0.44 0.00 0.00 34.13 33.96 2cas s GLU 144 CO -0.01 -0.20 -0.05 0.42 0.95 0.00 0.00 175.26 176.36 2cas s ILE 145 N -1.37 3.63 0.24 1.83 1.01 0.19 -0.61 121.20 126.12 2cas s ILE 145 Ca -0.13 -0.44 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 2cas s ILE 145 Cb -0.05 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 2cas s ILE 145 CO 0.04 0.47 0.35 0.72 0.00 0.00 0.00 174.94 176.53 2cas s PHE 146 N 0.69 0.72 -1.25 3.97 -0.71 -0.47 -0.13 117.98 120.79 2cas s PHE 146 Ca -0.03 -1.01 -0.16 0.00 -1.04 0.00 0.00 56.93 54.69 2cas s PHE 146 Cb -0.15 -0.11 0.00 0.00 -1.21 0.00 0.00 43.02 41.56 2cas s PHE 146 CO 0.02 -0.87 0.62 0.09 -1.34 0.00 0.00 175.22 173.74 2cas n ASN 147 N -0.43 -3.27 -4.76 1.98 4.13 -1.26 0.36 115.26 112.01 2cas n ASN 147 Ca 0.00 -1.08 -0.40 0.00 1.68 0.00 0.00 54.58 54.78 2cas n ASN 147 Cb 0.63 -2.89 -0.04 0.00 -1.54 0.00 0.00 39.78 35.94 2cas n ASN 147 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2cas s VAL 148 N -3.67 3.40 -0.00 2.41 1.01 -1.26 -4.09 120.40 118.20 2cas s VAL 148 Ca 0.31 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.69 2cas s VAL 148 Cb -0.13 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2cas s VAL 148 CO 0.90 0.32 -0.00 -0.69 0.00 0.00 0.00 175.10 175.62 2cas s VAL 149 N -1.19 0.05 -0.10 2.92 1.01 0.70 -4.24 120.40 119.55 2cas s VAL 149 Ca 0.46 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.45 2cas s VAL 149 Cb -0.32 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.00 2cas s VAL 149 CO 0.42 0.03 -0.10 -0.76 0.00 0.00 0.00 175.10 174.69 2cas s LEU 150 N 0.17 1.43 0.25 3.92 1.02 -1.26 -0.02 118.68 124.19 2cas s LEU 150 Ca -0.01 -0.34 0.09 0.00 0.02 0.00 0.00 54.13 53.89 2cas s LEU 150 Cb -0.03 -0.90 -0.05 0.00 0.02 0.00 0.00 46.19 45.23 2cas s LEU 150 CO -0.00 -0.06 -0.13 -0.54 0.02 0.00 0.00 176.35 175.64 2cas s LYS 151 N 1.32 1.50 -0.11 1.70 1.02 0.81 -0.79 119.74 125.20 2cas s LYS 151 Ca -0.02 -1.71 0.00 0.00 0.02 0.00 0.00 55.97 54.27 2cas s LYS 151 Cb -0.14 -1.33 0.02 0.00 -0.52 0.00 0.00 37.83 35.86 2cas s LYS 151 CO -0.05 0.18 -0.09 0.95 -0.92 0.00 0.00 175.35 175.43 2cas s THR 152 N -2.84 1.06 -0.23 2.17 -4.23 0.09 -0.78 115.64 110.88 2cas s THR 152 Ca 0.27 -0.33 -0.29 0.00 -1.18 0.00 0.00 61.69 60.15 2cas s THR 152 Cb -0.01 -1.06 -0.00 0.00 1.34 0.00 0.00 72.50 72.78 2cas s THR 152 CO 0.11 0.37 1.22 -0.69 -0.54 0.00 0.00 174.62 175.08 2cas s VAL 153 N 1.51 4.33 -0.22 2.29 1.01 -0.26 -2.04 120.40 127.02 2cas s VAL 153 Ca 0.01 1.57 -0.00 0.00 0.00 0.00 0.00 61.98 63.56 2cas s VAL 153 Cb -0.13 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.13 2cas s VAL 153 CO -0.06 -0.28 -0.12 -0.94 0.00 0.00 0.00 175.10 173.70 2cas s SER 154 N 2.05 3.84 -0.40 3.32 1.04 -0.19 -4.59 113.70 118.78 2cas s SER 154 Ca 0.52 -0.76 -0.18 0.00 0.48 0.00 0.00 55.95 56.02 2cas s SER 154 Cb -0.18 -1.59 0.01 0.00 0.10 0.00 0.00 66.02 64.36 2cas s SER 154 CO 0.16 -0.06 0.46 -0.70 0.98 0.00 0.00 173.24 174.08 2cas s GLU 155 N 1.31 3.29 -1.26 4.02 2.12 -1.26 0.64 118.70 127.56 2cas s GLU 155 Ca 0.02 -0.54 -0.13 0.00 0.36 0.00 0.00 54.97 54.68 2cas s GLU 155 Cb -0.15 -3.91 0.15 0.00 0.26 0.00 0.00 34.13 30.48 2cas s GLU 155 CO -0.08 -0.78 1.67 0.45 -0.54 0.00 0.00 175.26 175.98 2cas n SER 156 N 5.68 5.05 -4.37 -1.70 2.88 1.69 -4.88 113.62 117.96 2cas n SER 156 Ca -0.06 -3.00 -0.11 0.00 -1.33 0.00 0.00 58.87 54.36 2cas n SER 156 Cb 0.48 -1.57 -0.10 0.00 -0.75 0.00 0.00 64.21 62.27 2cas n SER 156 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cas n ALA 157 N 5.44 0.54 -2.11 -1.46 0.00 -1.24 -0.14 120.51 121.54 2cas n ALA 157 Ca 0.40 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.51 2cas n ALA 157 Cb 0.41 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.65 2cas n ALA 157 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2cas n THR 158 N 6.73 0.00 0.00 0.00 -1.04 -1.26 -4.84 114.28 113.86 2cas n THR 158 Ca 0.36 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 2cas n THR 158 Cb 0.39 -0.84 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 2cas n THR 158 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cas n GLN 159 N 0.00 0.00 -2.55 -2.82 6.02 -1.26 -2.64 117.38 114.13 2cas n GLN 159 Ca 0.00 0.19 -0.41 0.00 -0.01 0.00 0.00 57.00 56.77 2cas n GLN 159 Cb 0.00 -1.07 -0.03 0.00 1.02 0.00 0.00 30.24 30.16 2cas n GLN 159 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2cas s PRO 160 N -1.26 3.43 -0.37 -1.09 0.04 -1.26 -4.89 135.00 129.59 2cas s PRO 160 Ca 0.00 -0.77 -0.40 0.00 0.04 0.00 0.00 61.00 59.87 2cas s PRO 160 Cb 0.00 -4.89 -0.15 0.00 0.04 0.00 0.00 34.50 29.50 2cas s PRO 160 CO 0.00 -2.19 1.99 -2.30 0.04 0.00 0.00 177.00 174.53 2cas n PRO 161 N 9.08 0.76 -3.39 0.56 -0.02 -1.08 -4.93 135.00 135.98 2cas n PRO 161 Ca 0.21 0.24 -0.20 0.00 -2.02 0.00 0.00 63.50 61.74 2cas n PRO 161 Cb 0.50 -2.04 -0.00 0.00 -0.02 0.00 0.00 33.50 31.94 2cas n PRO 161 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2cas s THR 162 N 5.42 4.06 -0.08 3.45 -1.32 0.80 -4.70 115.64 123.26 2cas s THR 162 Ca 1.08 -0.92 -0.04 0.00 -1.21 0.00 0.00 61.69 60.61 2cas s THR 162 Cb -1.13 -3.42 0.04 0.00 -1.51 0.00 0.00 72.50 66.48 2cas s THR 162 CO 0.61 -0.18 0.18 -1.59 -2.21 0.00 0.00 174.62 171.44 2cas s LYS 163 N -4.24 0.12 -0.17 7.08 -2.85 -1.26 0.47 119.74 118.90 2cas s LYS 163 Ca 0.46 0.46 -0.10 0.00 -1.00 0.00 0.00 55.97 55.79 2cas s LYS 163 Cb -0.10 -0.17 -0.05 0.00 -2.06 0.00 0.00 37.83 35.46 2cas s LYS 163 CO 0.32 -0.19 0.16 0.54 0.10 0.00 0.00 175.35 176.29 2cas s VAL 164 N 1.41 5.41 -0.25 1.79 0.11 0.21 -4.92 120.40 124.15 2cas s VAL 164 Ca -0.07 0.26 -0.11 0.00 -2.93 0.00 0.00 61.98 59.13 2cas s VAL 164 Cb -0.11 -3.48 -0.05 0.00 -1.53 0.00 0.00 36.38 31.21 2cas s VAL 164 CO -0.07 0.48 0.18 -0.31 -3.33 0.00 0.00 175.10 172.06 2cas s TYR 165 N -0.02 3.28 0.16 1.54 2.02 -1.26 -1.02 117.35 122.05 2cas s TYR 165 Ca 0.11 0.20 0.08 0.00 -0.37 0.00 0.00 57.07 57.09 2cas s TYR 165 Cb -0.12 -2.33 -0.04 0.00 -0.40 0.00 0.00 41.96 39.07 2cas s TYR 165 CO 0.01 -0.03 -0.16 -0.80 -1.57 0.00 0.00 175.55 173.00 2cas s ASN 166 N 1.33 2.46 0.13 2.29 -0.87 -0.86 -4.94 114.94 114.48 2cas s ASN 166 Ca 0.08 -0.88 -0.30 0.00 -1.57 0.00 0.00 52.86 50.19 2cas s ASN 166 Cb -0.15 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.25 40.90 2cas s ASN 166 CO 0.07 -0.09 1.01 0.20 -2.57 0.00 0.00 177.10 175.72 2cas s ASN 167 N -2.73 7.42 -0.93 -1.22 0.01 -1.26 -0.73 114.94 115.51 2cas s ASN 167 Ca 0.15 1.88 -0.11 0.00 -0.71 0.00 0.00 52.86 54.07 2cas s ASN 167 Cb -0.04 -2.59 0.24 0.00 0.41 0.00 0.00 41.25 39.26 2cas s ASN 167 CO 0.06 -0.12 0.88 -0.62 -1.51 0.00 0.00 177.10 175.78 2cas s ASP 168 N 0.01 6.83 0.38 -1.22 -1.08 0.03 -4.88 116.67 116.74 2cas s ASP 168 Ca 0.48 -3.11 0.12 0.00 -0.52 0.00 0.00 52.55 49.52 2cas s ASP 168 Cb -0.25 -2.17 0.91 0.00 -1.46 0.00 0.00 42.92 39.95 2cas s ASP 168 CO 0.31 -0.43 1.88 -0.07 0.52 0.00 0.00 175.17 177.38 2cas h LEU 169 N 7.20 0.56 -1.39 -1.34 3.38 -1.94 -2.92 115.31 118.87 2cas h LEU 169 Ca 0.13 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2cas h LEU 169 Cb 0.96 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2cas h LEU 169 CO 0.85 0.28 0.00 0.35 0.09 0.00 0.00 178.44 180.01 2cas n THR 170 N -4.54 0.14 -1.50 0.22 -2.24 -1.26 -4.51 114.28 100.59 2cas n THR 170 Ca 0.17 -0.40 -0.33 0.00 -2.27 0.00 0.00 64.05 61.22 2cas n THR 170 Cb 0.51 0.71 0.08 0.00 -2.10 0.00 0.00 70.33 69.52 2cas n THR 170 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cas s ALA 171 N -1.86 2.26 0.06 6.98 0.00 -1.10 -5.00 121.76 123.10 2cas s ALA 171 Ca 0.34 0.60 0.08 0.00 0.00 0.00 0.00 51.96 52.98 2cas s ALA 171 Cb 0.20 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 2cas s ALA 171 CO 0.30 -1.64 -0.20 -1.12 0.00 0.00 0.00 175.76 173.10 2cas s SER 172 N -2.57 2.46 0.03 0.00 0.01 -1.26 -4.45 113.70 107.92 2cas s SER 172 Ca 0.68 -0.58 -0.07 0.00 1.31 0.00 0.00 55.95 57.29 2cas s SER 172 Cb -0.22 -0.18 -0.05 0.00 0.21 0.00 0.00 66.02 65.78 2cas s SER 172 CO 0.46 0.12 0.29 -0.22 0.41 0.00 0.00 173.24 174.30 2cas s LEU 173 N -1.45 4.36 -0.16 2.44 2.96 0.12 -1.97 118.68 124.98 2cas s LEU 173 Ca 0.07 0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 54.53 2cas s LEU 173 Cb -0.09 -2.77 -0.02 0.00 0.50 0.00 0.00 46.19 43.80 2cas s LEU 173 CO 0.03 0.22 -0.07 -0.04 -1.32 0.00 0.00 176.35 175.17 2cas s MET 174 N -1.88 3.52 -0.07 1.98 -1.94 0.46 0.39 119.30 121.76 2cas s MET 174 Ca 0.30 -0.59 0.05 0.00 -1.71 0.00 0.00 55.69 53.74 2cas s MET 174 Cb -0.13 -2.85 -0.01 0.00 2.01 0.00 0.00 34.83 33.85 2cas s MET 174 CO 0.17 0.13 -0.24 0.08 -0.01 0.00 0.00 175.02 175.15 2cas s VAL 175 N 0.62 2.10 -0.08 -6.03 1.01 0.22 -0.60 120.40 117.64 2cas s VAL 175 Ca -0.04 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 2cas s VAL 175 Cb -0.15 -1.77 0.03 0.00 0.00 0.00 0.00 36.38 34.49 2cas s VAL 175 CO 0.03 0.57 0.01 0.00 0.00 0.00 0.00 175.10 175.70 2cas s ALA 176 N -0.05 0.68 -0.33 5.51 0.00 0.11 -0.30 121.76 127.36 2cas s ALA 176 Ca -0.07 -0.14 -0.06 0.00 0.00 0.00 0.00 51.96 51.70 2cas s ALA 176 Cb -0.15 -0.76 0.04 0.00 0.00 0.00 0.00 23.12 22.25 2cas s ALA 176 CO 0.05 -0.51 0.09 -1.17 0.00 0.00 0.00 175.76 174.22 2cas s LEU 177 N 1.98 4.24 -1.41 0.00 2.96 -1.26 -0.51 118.68 124.68 2cas s LEU 177 Ca 0.05 -1.12 -0.14 0.00 -0.22 0.00 0.00 54.13 52.70 2cas s LEU 177 Cb -0.13 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 2cas s LEU 177 CO -0.05 -0.31 2.35 -0.67 -1.32 0.00 0.00 176.35 176.35 2cas n ASP 178 N 4.80 4.82 0.28 3.68 2.03 -0.10 -4.75 116.55 127.30 2cas n ASP 178 Ca -0.13 -2.75 0.16 0.00 0.52 0.00 0.00 54.79 52.60 2cas n ASP 178 Cb 0.45 -1.57 0.75 0.00 -0.72 0.00 0.00 41.12 40.03 2cas n ASP 178 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2cas h SER 179 N 5.98 0.00 -0.31 1.67 4.64 -1.89 -1.04 113.55 122.60 2cas h SER 179 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 2cas h SER 179 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2cas h SER 179 CO 1.86 0.06 0.00 0.59 -0.87 0.00 0.00 176.83 178.47 2cas n ASN 180 N -3.24 1.83 -3.98 4.97 3.02 -1.26 -4.54 115.26 112.06 2cas n ASN 180 Ca -0.01 -2.04 -0.42 0.00 -0.03 0.00 0.00 54.58 52.09 2cas n ASN 180 Cb 0.27 -0.25 0.02 0.00 -0.61 0.00 0.00 39.78 39.22 2cas n ASN 180 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2cas n ASN 181 N 0.41 -4.15 -0.00 6.41 5.03 -0.40 -4.88 115.26 117.69 2cas n ASN 181 Ca 0.11 -1.22 -0.20 0.00 0.87 0.00 0.00 54.58 54.14 2cas n ASN 181 Cb 0.31 -2.13 -0.14 0.00 -1.02 0.00 0.00 39.78 36.79 2cas n ASN 181 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 2cas h THR 182 N -2.41 1.31 -4.25 3.41 2.02 -1.91 -3.47 112.91 107.61 2cas h THR 182 Ca -0.70 -2.42 -0.51 0.00 0.77 0.00 0.00 66.41 63.55 2cas h THR 182 Cb 1.39 2.94 0.11 0.00 -1.74 0.00 0.00 68.15 70.86 2cas h THR 182 CO 0.52 0.65 0.35 -0.04 0.37 0.00 0.00 175.52 177.37 2cas s MET 183 N -2.41 2.65 0.28 6.66 -1.94 -1.26 -4.97 119.30 118.31 2cas s MET 183 Ca -0.18 1.26 -0.29 0.00 -1.71 0.00 0.00 55.69 54.76 2cas s MET 183 Cb 0.02 -1.94 -0.10 0.00 2.01 0.00 0.00 34.83 34.82 2cas s MET 183 CO 0.76 -1.35 1.31 -1.25 -0.01 0.00 0.00 175.02 174.48 2cas s PRO 184 N -4.47 4.37 -0.13 2.03 0.04 -1.26 -4.95 135.00 130.64 2cas s PRO 184 Ca 0.64 2.15 -0.29 0.00 0.04 0.00 0.00 61.00 63.53 2cas s PRO 184 Cb -0.18 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 2cas s PRO 184 CO 0.48 -0.21 1.48 0.12 0.04 0.00 0.00 177.00 178.91 2cas s PHE 185 N -0.61 2.37 -0.53 0.56 5.36 -1.26 -5.01 117.98 118.86 2cas s PHE 185 Ca 0.52 0.59 0.04 0.00 -0.96 0.00 0.00 56.93 57.12 2cas s PHE 185 Cb -0.39 -3.76 0.16 0.00 -0.34 0.00 0.00 43.02 38.70 2cas s PHE 185 CO 0.46 -2.79 0.39 0.95 -1.46 0.00 0.00 175.22 172.77 2cas s THR 186 N 3.99 1.49 -0.24 0.12 -4.23 -1.26 -5.08 115.64 110.42 2cas s THR 186 Ca 0.65 -3.27 -0.31 0.00 -1.18 0.00 0.00 61.69 57.58 2cas s THR 186 Cb -0.27 -2.00 -0.07 0.00 1.34 0.00 0.00 72.50 71.50 2cas s THR 186 CO 0.23 -1.10 2.19 -2.65 -0.54 0.00 0.00 174.62 172.76 2cas n PRO 187 N 2.61 1.73 0.08 3.99 -0.02 -1.26 -4.84 135.00 137.29 2cas n PRO 187 Ca 0.23 0.49 0.09 0.00 -2.02 0.00 0.00 63.50 62.28 2cas n PRO 187 Cb 0.41 -2.97 0.39 0.00 -0.02 0.00 0.00 33.50 31.31 2cas n PRO 187 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cas n ALA 188 N 10.79 1.45 0.39 3.55 0.00 -1.26 -2.82 120.51 132.62 2cas n ALA 188 Ca 0.33 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.96 2cas n ALA 188 Cb 0.37 -1.28 0.51 0.00 0.00 0.00 0.00 19.45 19.06 2cas n ALA 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cas h ALA 189 N 2.24 1.00 -0.02 0.00 0.00 -1.85 -0.30 119.26 120.33 2cas h ALA 189 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2cas h ALA 189 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2cas h ALA 189 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.92 2cas n MET 190 N -2.47 1.11 0.00 0.00 2.81 -1.13 -2.90 117.12 114.54 2cas n MET 190 Ca 0.02 -0.16 0.00 0.00 -1.81 0.00 0.00 57.70 55.76 2cas n MET 190 Cb 0.28 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 2cas n MET 190 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2cas n ARG 191 N -0.70 0.81 -3.37 0.03 5.12 -0.96 -4.99 116.66 112.60 2cas n ARG 191 Ca 0.18 -0.76 -0.16 0.00 -1.93 0.00 0.00 57.85 55.17 2cas n ARG 191 Cb 0.12 -0.79 0.09 0.00 -1.16 0.00 0.00 32.46 30.72 2cas n ARG 191 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2cas n SER 192 N -0.17 -2.32 -2.35 0.55 2.88 -1.11 -4.95 113.62 106.14 2cas n SER 192 Ca 0.00 -0.60 -0.16 0.00 -1.33 0.00 0.00 58.87 56.78 2cas n SER 192 Cb 0.26 -4.98 0.03 0.00 -0.75 0.00 0.00 64.21 58.77 2cas n SER 192 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2cas n GLU 193 N -3.97 2.87 -1.94 -1.46 1.02 -0.16 -4.89 120.64 112.12 2cas n GLU 193 Ca -0.27 -3.93 -0.14 0.00 -0.02 0.00 0.00 57.16 52.80 2cas n GLU 193 Cb 0.66 -2.01 0.07 0.00 -0.02 0.00 0.00 31.44 30.14 2cas n GLU 193 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2cas n THR 194 N -0.63 0.00 -1.05 2.62 -2.24 -1.26 -4.63 114.28 107.09 2cas n THR 194 Ca 0.30 -1.05 -0.29 0.00 -2.27 0.00 0.00 64.05 60.74 2cas n THR 194 Cb 0.88 -1.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.29 2cas n THR 194 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2cas s LEU 195 N 0.00 1.73 0.69 3.22 1.43 -0.25 -4.94 118.68 120.55 2cas s LEU 195 Ca 0.42 1.38 -0.11 0.00 -1.03 0.00 0.00 54.13 54.80 2cas s LEU 195 Cb -0.03 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.60 2cas s LEU 195 CO 0.28 -3.16 1.06 -0.83 0.23 0.00 0.00 176.35 173.93 2cas s GLY 196 N -3.25 1.62 0.00 -3.19 0.00 -1.26 -4.88 107.32 96.36 2cas s GLY 196 Ca 0.65 -0.41 0.22 0.00 0.00 0.00 0.00 44.72 45.18 2cas s GLY 196 CO 0.59 -0.05 1.66 0.69 0.00 0.00 0.00 173.10 175.98 2cas n PHE 197 N -2.94 0.11 -4.86 1.90 3.72 -0.15 -4.72 117.46 110.52 2cas n PHE 197 Ca 0.06 -0.06 -0.30 0.00 -0.05 0.00 0.00 57.45 57.11 2cas n PHE 197 Cb 0.57 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.95 2cas n PHE 197 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2cas s TYR 198 N -1.89 2.21 0.38 1.38 1.51 -1.26 -4.80 117.35 114.88 2cas s TYR 198 Ca 0.32 -0.95 0.39 0.00 -1.01 0.00 0.00 57.07 55.83 2cas s TYR 198 Cb 0.17 -1.52 1.89 0.00 -0.11 0.00 0.00 41.96 42.38 2cas s TYR 198 CO 0.26 -0.42 2.18 -1.35 -1.11 0.00 0.00 175.55 175.11 2cas h PRO 199 N 6.98 0.00 -0.61 -1.71 0.11 -1.90 -2.76 132.00 132.11 2cas h PRO 199 Ca -0.26 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.70 2cas h PRO 199 Cb 1.21 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 2cas h PRO 199 CO 0.49 0.00 0.16 -2.67 -0.21 0.00 0.00 178.00 175.77 2cas n TRP 200 N -3.10 2.06 -3.90 0.65 2.14 -1.26 -4.85 117.44 109.18 2cas n TRP 200 Ca -0.01 -1.12 -0.29 0.00 2.07 0.00 0.00 57.50 58.15 2cas n TRP 200 Cb 0.19 -0.59 -0.16 0.00 -0.81 0.00 0.00 31.31 29.94 2cas n TRP 200 CO 0.00 0.00 0.00 0.21 2.07 0.00 0.00 177.69 179.97 2cas s LYS 201 N -2.96 1.51 0.84 -2.67 2.20 -1.04 -5.13 119.74 112.49 2cas s LYS 201 Ca 0.52 -0.59 -0.14 0.00 -0.36 0.00 0.00 55.97 55.40 2cas s LYS 201 Cb 0.42 -2.11 -0.00 0.00 -1.51 0.00 0.00 37.83 34.63 2cas s LYS 201 CO 0.12 -0.45 0.44 -2.30 -0.36 0.00 0.00 175.35 172.80 2cas n PRO 202 N 4.84 0.00 -1.97 4.03 -0.02 -1.26 -4.76 135.00 135.86 2cas n PRO 202 Ca -0.12 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 2cas n PRO 202 Cb 0.47 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 2cas n PRO 202 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2cas n THR 203 N -2.99 0.00 -3.73 3.45 5.66 0.17 -4.95 114.28 111.88 2cas n THR 203 Ca 0.08 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.95 2cas n THR 203 Cb 0.52 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.22 2cas n THR 203 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 2cas s ILE 204 N -1.84 0.06 0.82 1.09 -4.36 -1.26 0.52 121.20 116.23 2cas s ILE 204 Ca 0.00 -0.50 -0.10 0.00 -0.26 0.00 0.00 60.65 59.79 2cas s ILE 204 Cb 0.00 -0.77 0.12 0.00 1.25 0.00 0.00 42.46 43.06 2cas s ILE 204 CO 0.00 -0.28 1.16 -2.16 0.24 0.00 0.00 174.94 173.91 2cas s PRO 205 N -1.80 1.53 0.12 0.37 0.04 -1.26 -4.77 135.00 129.23 2cas s PRO 205 Ca -0.10 -0.32 0.06 0.00 0.04 0.00 0.00 61.00 60.67 2cas s PRO 205 Cb -0.03 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2cas s PRO 205 CO 0.02 -1.76 0.00 0.95 0.04 0.00 0.00 177.00 176.25 2cas s THR 206 N -3.54 3.93 0.10 1.26 -4.23 -0.56 -4.86 115.64 107.73 2cas s THR 206 Ca 0.66 -1.12 -0.31 0.00 -1.18 0.00 0.00 61.69 59.74 2cas s THR 206 Cb -0.08 -2.91 -0.09 0.00 1.34 0.00 0.00 72.50 70.77 2cas s THR 206 CO 0.49 0.05 1.62 -2.84 -0.54 0.00 0.00 174.62 173.40 2cas s PRO 207 N -2.51 4.20 0.01 3.99 0.02 -1.26 0.25 135.00 139.70 2cas s PRO 207 Ca 0.26 2.33 -0.27 0.00 0.02 0.00 0.00 61.00 63.35 2cas s PRO 207 Cb -0.11 -3.47 -0.04 0.00 0.02 0.00 0.00 34.50 30.90 2cas s PRO 207 CO 0.18 -0.69 0.84 -0.46 -0.33 0.00 0.00 177.00 176.54 2cas s TRP 208 N 2.20 3.68 0.04 6.54 -0.00 0.23 -4.74 118.94 126.89 2cas s TRP 208 Ca 0.73 1.53 -0.04 0.00 -0.00 0.00 0.00 56.10 58.31 2cas s TRP 208 Cb -0.41 -2.94 -0.01 0.00 -0.00 0.00 0.00 33.47 30.11 2cas s TRP 208 CO 0.32 0.13 0.07 -0.98 -0.00 0.00 0.00 176.95 176.49 2cas s ARG 209 N 0.50 0.56 0.04 5.86 3.03 -1.26 -2.29 118.95 125.38 2cas s ARG 209 Ca 0.44 -0.78 -0.06 0.00 2.03 0.00 0.00 55.73 57.36 2cas s ARG 209 Cb -0.20 0.21 -0.01 0.00 -1.03 0.00 0.00 34.95 33.92 2cas s ARG 209 CO 0.24 -0.13 0.10 1.52 -1.13 0.00 0.00 175.30 175.90 2cas s TYR 210 N -2.59 0.18 0.34 5.89 -0.85 -0.81 -4.97 117.35 114.54 2cas s TYR 210 Ca -0.05 -0.47 -0.28 0.00 -0.52 0.00 0.00 57.07 55.75 2cas s TYR 210 Cb -0.01 -0.13 -0.10 0.00 0.38 0.00 0.00 41.96 42.10 2cas s TYR 210 CO -0.05 -0.36 1.30 0.71 -1.52 0.00 0.00 175.55 175.63 2cas s TYR 211 N -2.53 3.02 -0.11 -3.49 2.02 -1.26 -0.06 117.35 114.93 2cas s TYR 211 Ca -0.06 1.42 0.03 0.00 -0.37 0.00 0.00 57.07 58.10 2cas s TYR 211 Cb -0.02 -3.66 0.00 0.00 -0.40 0.00 0.00 41.96 37.88 2cas s TYR 211 CO -0.04 -1.86 -0.23 0.12 -1.57 0.00 0.00 175.55 171.98 2cas s PHE 212 N -1.17 2.61 0.36 2.71 5.36 -0.94 -4.76 117.98 122.15 2cas s PHE 212 Ca 0.50 -1.11 -0.26 0.00 -0.96 0.00 0.00 56.93 55.11 2cas s PHE 212 Cb -0.39 -1.75 -0.12 0.00 -0.34 0.00 0.00 43.02 40.42 2cas s PHE 212 CO 0.52 -0.46 1.03 0.94 -1.46 0.00 0.00 175.22 175.78 2cas n GLN 213 N 3.69 1.42 -3.75 10.12 0.00 -1.26 -4.15 117.38 123.45 2cas n GLN 213 Ca -0.19 0.50 -0.10 0.00 -0.00 0.00 0.00 57.00 57.22 2cas n GLN 213 Cb 0.53 -1.98 -0.06 0.00 0.00 0.00 0.00 30.24 28.72 2cas n GLN 213 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.06 178.73 2cas s TRP 214 N -1.18 -0.01 -0.22 3.69 -2.14 -1.26 -4.52 118.94 113.30 2cas s TRP 214 Ca 0.60 -0.35 -0.01 0.00 2.66 0.00 0.00 56.10 59.00 2cas s TRP 214 Cb -0.61 0.12 0.02 0.00 -3.10 0.00 0.00 33.47 29.90 2cas s TRP 214 CO 0.59 -0.66 -0.11 -0.51 -2.66 0.00 0.00 176.95 173.60 2cas s ASP 215 N -2.84 3.93 0.02 -2.66 1.01 0.71 -4.60 116.67 112.23 2cas s ASP 215 Ca 0.05 -0.76 0.01 0.00 0.71 0.00 0.00 52.55 52.56 2cas s ASP 215 Cb 0.03 -1.60 -0.02 0.00 1.01 0.00 0.00 42.92 42.34 2cas s ASP 215 CO -0.10 -0.07 -0.06 0.00 0.21 0.00 0.00 175.17 175.15 2cas s ARG 216 N 1.32 0.41 -0.11 8.23 1.04 -1.09 0.32 118.95 129.07 2cas s ARG 216 Ca 0.02 -0.51 0.03 0.00 -1.04 0.00 0.00 55.73 54.22 2cas s ARG 216 Cb -0.15 -0.22 0.01 0.00 -2.04 0.00 0.00 34.95 32.54 2cas s ARG 216 CO -0.07 0.04 -0.20 0.99 -0.04 0.00 0.00 175.30 176.02 2cas s THR 217 N -0.94 1.81 -0.12 4.99 2.01 0.45 -3.65 115.64 120.20 2cas s THR 217 Ca -0.07 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 2cas s THR 217 Cb -0.07 -1.60 0.05 0.00 0.01 0.00 0.00 72.50 70.88 2cas s THR 217 CO -0.00 0.50 0.06 -0.22 -0.69 0.00 0.00 174.62 174.27 2cas s LEU 218 N 0.67 0.44 -0.15 4.42 2.96 -1.25 0.15 118.68 125.92 2cas s LEU 218 Ca -0.12 -0.34 -0.16 0.00 -0.22 0.00 0.00 54.13 53.28 2cas s LEU 218 Cb -0.16 -0.29 -0.04 0.00 0.50 0.00 0.00 46.19 46.19 2cas s LEU 218 CO 0.03 -0.29 0.39 -0.63 -1.32 0.00 0.00 176.35 174.53 2cas s ILE 219 N 2.08 5.23 0.78 6.68 -1.09 0.17 -4.94 121.20 130.12 2cas s ILE 219 Ca 0.03 0.76 -0.13 0.00 -2.23 0.00 0.00 60.65 59.09 2cas s ILE 219 Cb -0.14 -3.73 0.07 0.00 -1.58 0.00 0.00 42.46 37.07 2cas s ILE 219 CO -0.06 0.34 1.15 -2.16 -1.23 0.00 0.00 174.94 172.97 2cas s PRO 220 N 0.69 1.96 0.19 2.79 0.04 -1.26 -4.72 135.00 134.69 2cas s PRO 220 Ca 0.21 1.50 -0.06 0.00 0.04 0.00 0.00 61.00 62.69 2cas s PRO 220 Cb -0.14 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.59 2cas s PRO 220 CO 0.07 -1.92 0.36 -1.13 0.04 0.00 0.00 177.00 174.43 2cas n SER 221 N -3.29 -1.05 -4.09 6.66 3.41 -1.26 -5.01 113.62 108.99 2cas n SER 221 Ca 0.11 -1.78 -0.10 0.00 -0.26 0.00 0.00 58.87 56.84 2cas n SER 221 Cb 0.52 1.76 -0.08 0.00 -0.26 0.00 0.00 64.21 66.15 2cas n SER 221 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2cas s HIS 222 N -5.51 0.75 -0.36 7.33 -3.43 -1.26 -3.04 115.29 109.77 2cas s HIS 222 Ca 0.08 -1.06 -0.43 0.00 -0.80 0.00 0.00 55.06 52.85 2cas s HIS 222 Cb -0.02 -0.24 -0.18 0.00 -1.43 0.00 0.00 32.58 30.71 2cas s HIS 222 CO 0.06 -0.75 1.63 2.41 -2.00 0.00 0.00 174.74 176.10 2cas n THR 223 N -0.27 0.14 -2.71 -5.38 -1.04 -1.26 -1.61 114.28 102.15 2cas n THR 223 Ca -0.02 -0.02 -0.03 0.00 -2.04 0.00 0.00 64.05 61.94 2cas n THR 223 Cb 0.64 -0.81 0.01 0.00 -1.82 0.00 0.00 70.33 68.35 2cas n THR 223 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2cas n GLY 224 N 3.93 -0.91 2.98 3.41 0.00 -1.26 -5.00 105.19 108.34 2cas n GLY 224 Ca 0.28 0.32 -0.30 0.00 0.00 0.00 0.00 46.02 46.32 2cas n GLY 224 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cas s THR 225 N -3.08 1.59 0.21 2.61 2.01 -0.63 -5.09 115.64 113.26 2cas s THR 225 Ca 0.09 -1.05 -0.30 0.00 0.31 0.00 0.00 61.69 60.74 2cas s THR 225 Cb -0.01 -1.72 -0.09 0.00 0.01 0.00 0.00 72.50 70.68 2cas s THR 225 CO 0.56 0.09 1.38 -0.94 -0.69 0.00 0.00 174.62 175.03 2cas s SER 226 N 1.40 6.77 0.00 3.53 1.04 -1.26 -4.80 113.70 120.39 2cas s SER 226 Ca -0.03 2.52 0.00 0.00 0.48 0.00 0.00 55.95 58.92 2cas s SER 226 Cb -0.17 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.34 2cas s SER 226 CO -0.08 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.13 2cas n GLY 227 N 2.45 -1.75 2.72 7.32 0.00 -1.26 -4.86 105.19 109.81 2cas n GLY 227 Ca 0.07 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.81 2cas n GLY 227 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cas s THR 228 N 0.00 0.72 0.48 2.61 -4.23 -1.26 -4.99 115.64 108.98 2cas s THR 228 Ca 0.00 -1.13 -0.22 0.00 -1.18 0.00 0.00 61.69 59.16 2cas s THR 228 Cb 0.00 -1.45 -0.09 0.00 1.34 0.00 0.00 72.50 72.30 2cas s THR 228 CO 0.00 -0.55 0.92 -2.65 -0.54 0.00 0.00 174.62 171.80 2cas n PRO 229 N 4.93 1.10 -2.05 3.99 -0.02 -1.26 -4.86 135.00 136.83 2cas n PRO 229 Ca -0.04 0.41 -0.41 0.00 -2.02 0.00 0.00 63.50 61.43 2cas n PRO 229 Cb 0.43 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 2cas n PRO 229 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2cas s THR 230 N -1.40 2.79 -0.39 3.45 -4.23 -1.26 -4.78 115.64 109.82 2cas s THR 230 Ca 0.67 0.65 0.03 0.00 -1.18 0.00 0.00 61.69 61.85 2cas s THR 230 Cb -0.51 -3.41 0.16 0.00 1.34 0.00 0.00 72.50 70.08 2cas s THR 230 CO 0.54 0.09 0.32 0.21 -0.54 0.00 0.00 174.62 175.24 2cas s ASN 231 N 0.47 1.76 -0.05 3.99 2.47 -1.24 0.45 114.94 122.80 2cas s ASN 231 Ca 0.60 -2.58 0.06 0.00 0.42 0.00 0.00 52.86 51.37 2cas s ASN 231 Cb -0.41 -0.22 -0.01 0.00 -1.45 0.00 0.00 41.25 39.16 2cas s ASN 231 CO 0.40 -0.22 -0.25 -0.63 -3.72 0.00 0.00 177.10 172.68 2cas s ILE 232 N 0.56 2.05 -0.53 -5.21 1.09 0.39 -4.97 121.20 114.58 2cas s ILE 232 Ca 0.26 -1.07 -0.15 0.00 -1.10 0.00 0.00 60.65 58.59 2cas s ILE 232 Cb -0.07 -1.73 0.13 0.00 -1.06 0.00 0.00 42.46 39.73 2cas s ILE 232 CO -0.11 0.57 0.48 -0.47 -0.10 0.00 0.00 174.94 175.32 2cas s TYR 233 N -0.24 3.26 0.14 3.97 6.14 -1.26 0.17 117.35 129.53 2cas s TYR 233 Ca -0.01 -1.33 -0.08 0.00 0.64 0.00 0.00 57.07 56.29 2cas s TYR 233 Cb -0.13 -3.76 -0.06 0.00 0.42 0.00 0.00 41.96 38.44 2cas s TYR 233 CO 0.03 -1.01 1.38 0.45 0.64 0.00 0.00 175.55 177.04 2cas h HIS 234 N 8.85 0.90 0.00 4.97 3.86 -0.50 -3.49 115.15 129.75 2cas h HIS 234 Ca -0.29 -0.38 0.00 0.00 -1.16 0.00 0.00 60.37 58.54 2cas h HIS 234 Cb 1.10 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.42 2cas h HIS 234 CO 0.72 1.18 0.00 0.41 0.86 0.00 0.00 177.93 181.10 2cas n GLY 235 N 0.56 0.48 3.47 2.45 0.00 -0.97 -4.92 105.19 106.25 2cas n GLY 235 Ca -0.06 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 2cas n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cas s THR 236 N -1.27 3.72 0.03 2.61 2.01 -1.26 0.25 115.64 121.73 2cas s THR 236 Ca 0.00 -0.42 -0.30 0.00 0.31 0.00 0.00 61.69 61.28 2cas s THR 236 Cb 0.00 -2.62 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 2cas s THR 236 CO 0.00 0.50 1.17 -0.62 -0.69 0.00 0.00 174.62 174.98 2cas s ASP 237 N 0.38 7.11 0.17 3.53 -1.08 -1.26 -4.90 116.67 120.63 2cas s ASP 237 Ca -0.05 1.92 -0.12 0.00 -0.52 0.00 0.00 52.55 53.78 2cas s ASP 237 Cb -0.15 -2.57 0.08 0.00 -1.46 0.00 0.00 42.92 38.82 2cas s ASP 237 CO 0.03 -0.47 1.74 1.55 0.52 0.00 0.00 175.17 178.55 2cas h PRO 238 N 6.95 0.89 0.00 4.34 0.13 -1.98 -1.25 132.00 141.08 2cas h PRO 238 Ca -0.40 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2cas h PRO 238 Cb 1.20 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2cas h PRO 238 CO 0.82 0.75 0.00 -0.25 -0.23 0.00 0.00 178.00 179.09 2cas n ASP 239 N -4.48 0.00 -0.44 1.44 8.00 -1.26 -2.05 116.55 117.77 2cas n ASP 239 Ca 0.04 -0.51 0.05 0.00 0.71 0.00 0.00 54.79 55.07 2cas n ASP 239 Cb 0.16 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.32 2cas n ASP 239 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2cas n ASP 240 N -0.94 2.10 -4.68 -2.24 8.00 -0.48 -5.01 116.55 113.31 2cas n ASP 240 Ca 0.10 -1.58 -0.43 0.00 0.71 0.00 0.00 54.79 53.59 2cas n ASP 240 Cb 0.04 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.06 2cas n ASP 240 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2cas s VAL 241 N -0.86 4.42 -0.36 2.53 1.01 -0.87 -4.65 120.40 121.62 2cas s VAL 241 Ca 0.14 1.72 0.00 0.00 0.00 0.00 0.00 61.98 63.84 2cas s VAL 241 Cb 0.09 -4.11 0.14 0.00 0.00 0.00 0.00 36.38 32.50 2cas s VAL 241 CO 0.13 -0.05 0.21 -1.10 0.00 0.00 0.00 175.10 174.29 2cas s GLN 242 N 2.55 0.62 -0.29 2.72 -0.21 -1.26 -5.10 119.66 118.69 2cas s GLN 242 Ca 0.53 -1.37 -0.24 0.00 0.02 0.00 0.00 55.36 54.29 2cas s GLN 242 Cb -0.22 -1.41 -0.00 0.00 1.00 0.00 0.00 33.01 32.38 2cas s GLN 242 CO 0.18 -1.20 0.80 0.12 -2.12 0.00 0.00 175.29 173.07 2cas s PHE 243 N 1.03 3.22 -0.04 0.91 5.36 -1.26 -5.00 117.98 122.20 2cas s PHE 243 Ca 0.18 0.89 0.03 0.00 -0.96 0.00 0.00 56.93 57.07 2cas s PHE 243 Cb -0.23 -3.19 -0.03 0.00 -0.34 0.00 0.00 43.02 39.23 2cas s PHE 243 CO -0.00 -0.53 -0.11 0.71 -1.46 0.00 0.00 175.22 173.82 2cas s TYR 244 N 2.95 2.79 0.04 10.12 2.02 -1.26 -5.12 117.35 128.89 2cas s TYR 244 Ca 0.33 -0.09 0.07 0.00 -0.37 0.00 0.00 57.07 57.01 2cas s TYR 244 Cb -0.14 -1.63 -0.02 0.00 -0.40 0.00 0.00 41.96 39.76 2cas s TYR 244 CO 0.11 0.27 -0.20 0.95 -1.57 0.00 0.00 175.55 175.11 2cas s THR 245 N -0.82 1.63 -0.01 -0.71 -4.23 -1.26 -5.05 115.64 105.19 2cas s THR 245 Ca 0.13 -1.18 -0.24 0.00 -1.18 0.00 0.00 61.69 59.22 2cas s THR 245 Cb -0.11 -1.42 -0.17 0.00 1.34 0.00 0.00 72.50 72.14 2cas s THR 245 CO 0.02 0.20 1.16 0.40 -0.54 0.00 0.00 174.62 175.86 2cas h ILE 246 N 4.38 0.89 -0.95 2.99 1.08 -1.98 -3.14 117.51 120.78 2cas h ILE 246 Ca -0.42 -0.84 0.27 0.00 -0.39 0.00 0.00 64.86 63.48 2cas h ILE 246 Cb 1.16 1.36 -0.14 0.00 -3.07 0.00 0.00 36.82 36.13 2cas h ILE 246 CO 0.44 0.18 0.44 -0.33 -0.69 0.00 0.00 178.15 178.19 2cas h GLU 247 N -0.71 0.32 0.00 2.37 3.07 -1.97 0.71 114.58 118.37 2cas h GLU 247 Ca -0.03 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2cas h GLU 247 Cb 0.49 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 2cas h GLU 247 CO 0.04 0.21 -0.19 -0.91 -1.40 0.00 0.00 179.01 176.76 2cas h ASN 248 N 0.33 0.00 0.00 1.42 4.21 -2.00 -3.41 115.58 116.13 2cas h ASN 248 Ca 0.64 -0.02 -0.18 0.00 1.21 0.00 0.00 56.30 57.95 2cas h ASN 248 Cb 1.35 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.52 2cas h ASN 248 CO -0.60 0.01 -1.68 -1.20 -1.29 0.00 0.00 177.43 172.68 2cas n SER 249 N -2.72 2.85 -4.51 5.81 7.64 0.13 -5.04 113.62 117.78 2cas n SER 249 Ca 0.04 -0.03 -0.30 0.00 1.01 0.00 0.00 58.87 59.59 2cas n SER 249 Cb 0.50 0.25 -0.11 0.00 -1.01 0.00 0.00 64.21 63.84 2cas n SER 249 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2cas s VAL 250 N -2.24 2.98 0.13 0.44 1.01 -0.55 -5.07 120.40 117.10 2cas s VAL 250 Ca -0.11 -1.39 -0.30 0.00 0.00 0.00 0.00 61.98 60.18 2cas s VAL 250 Cb 0.04 -2.35 -0.07 0.00 0.00 0.00 0.00 36.38 33.99 2cas s VAL 250 CO 0.34 0.14 1.17 -2.84 0.00 0.00 0.00 175.10 173.91 2cas s PRO 251 N -2.04 4.49 -0.12 2.72 0.02 -1.26 -4.67 135.00 134.14 2cas s PRO 251 Ca 0.18 1.78 -0.04 0.00 0.02 0.00 0.00 61.00 62.94 2cas s PRO 251 Cb -0.11 -3.30 -0.03 0.00 0.02 0.00 0.00 34.50 31.08 2cas s PRO 251 CO 0.10 -0.12 0.02 0.08 -0.33 0.00 0.00 177.00 176.76 2cas s VAL 252 N 0.39 4.46 -0.21 3.83 1.01 -1.26 -4.40 120.40 124.22 2cas s VAL 252 Ca 0.54 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.27 2cas s VAL 252 Cb -0.30 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2cas s VAL 252 CO 0.33 0.55 0.08 -1.00 0.00 0.00 0.00 175.10 175.06 2cas s HIS 253 N -0.39 3.22 -0.27 5.22 3.76 0.59 -4.95 115.29 122.46 2cas s HIS 253 Ca 0.08 -0.01 -0.14 0.00 -0.15 0.00 0.00 55.06 54.84 2cas s HIS 253 Cb -0.12 -2.15 -0.04 0.00 1.11 0.00 0.00 32.58 31.38 2cas s HIS 253 CO 0.02 0.02 0.31 -0.51 -0.85 0.00 0.00 174.74 173.73 2cas s LEU 254 N 0.77 4.03 -0.10 0.89 1.43 -1.26 -0.61 118.68 123.83 2cas s LEU 254 Ca 0.04 0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 2cas s LEU 254 Cb -0.13 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 2cas s LEU 254 CO 0.02 -0.14 -0.07 -0.76 0.23 0.00 0.00 176.35 175.63 2cas s LEU 255 N 1.96 3.13 0.55 1.79 1.43 0.16 -4.87 118.68 122.83 2cas s LEU 255 Ca 0.12 -0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.21 2cas s LEU 255 Cb -0.16 -1.71 0.06 0.00 0.03 0.00 0.00 46.19 44.42 2cas s LEU 255 CO 0.10 0.27 0.65 -0.13 0.23 0.00 0.00 176.35 177.48 2cas s ARG 256 N -0.27 2.33 0.25 1.70 0.52 -1.26 0.13 118.95 122.35 2cas s ARG 256 Ca 0.04 -1.72 -0.03 0.00 -0.52 0.00 0.00 55.73 53.50 2cas s ARG 256 Cb -0.13 -2.49 0.49 0.00 0.52 0.00 0.00 34.95 33.34 2cas s ARG 256 CO 0.02 -0.73 1.74 1.15 0.02 0.00 0.00 175.30 177.50 2cas h THR 257 N 0.40 0.68 0.00 0.02 2.02 -1.79 -0.43 112.91 113.81 2cas h THR 257 Ca -0.33 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 2cas h THR 257 Cb 1.29 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2cas h THR 257 CO 0.46 0.09 -0.04 1.23 0.37 0.00 0.00 175.52 177.63 2cas h GLY 258 N 0.51 0.00 -1.00 2.16 0.00 -1.85 -3.37 103.07 99.52 2cas h GLY 258 Ca 0.43 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 47.30 2cas h GLY 258 CO -0.39 0.00 0.27 0.99 0.00 0.00 0.00 176.54 177.41 2cas s ASP 259 N -5.68 4.71 0.13 0.19 1.01 -0.17 -2.98 116.67 113.88 2cas s ASP 259 Ca -0.02 0.52 -0.14 0.00 0.71 0.00 0.00 52.55 53.62 2cas s ASP 259 Cb 0.12 -1.12 0.02 0.00 1.01 0.00 0.00 42.92 42.94 2cas s ASP 259 CO 0.52 -1.69 0.37 -0.70 0.21 0.00 0.00 175.17 173.87 2cas s GLU 260 N -5.33 1.09 -0.04 8.23 -6.30 -1.26 -4.51 118.70 110.58 2cas s GLU 260 Ca 0.61 -0.84 -0.09 0.00 -2.50 0.00 0.00 54.97 52.15 2cas s GLU 260 Cb -0.11 0.44 0.01 0.00 0.00 0.00 0.00 34.13 34.48 2cas s GLU 260 CO 0.46 -0.42 0.21 0.12 0.02 0.00 0.00 175.26 175.65 2cas s PHE 261 N -3.85 -0.13 -0.14 5.30 2.19 0.81 -4.97 117.98 117.19 2cas s PHE 261 Ca 0.06 0.27 -0.07 0.00 0.33 0.00 0.00 56.93 57.53 2cas s PHE 261 Cb 0.02 0.04 0.06 0.00 -1.31 0.00 0.00 43.02 41.83 2cas s PHE 261 CO -0.09 -0.23 0.32 0.00 1.83 0.00 0.00 175.22 177.05 2cas s ALA 262 N -0.70 -0.78 0.53 11.12 0.00 -1.26 0.57 121.76 131.24 2cas s ALA 262 Ca -0.08 1.21 -0.20 0.00 0.00 0.00 0.00 51.96 52.89 2cas s ALA 262 Cb -0.04 -0.89 -0.06 0.00 0.00 0.00 0.00 23.12 22.13 2cas s ALA 262 CO 0.01 -0.38 1.15 0.99 0.00 0.00 0.00 175.76 177.54 2cas s THR 263 N 1.71 3.05 0.00 0.00 2.01 -0.21 -5.00 115.64 117.21 2cas s THR 263 Ca -0.06 0.68 0.00 0.00 0.31 0.00 0.00 61.69 62.62 2cas s THR 263 Cb -0.10 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.11 2cas s THR 263 CO -0.10 -0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.32 2cas n GLY 264 N 0.28 1.40 3.72 4.40 0.00 -1.26 -4.44 105.19 109.30 2cas n GLY 264 Ca 0.11 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 2cas n GLY 264 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cas s THR 265 N 1.63 5.11 -0.11 2.61 2.01 -1.26 -4.48 115.64 121.15 2cas s THR 265 Ca 0.00 1.22 -0.01 0.00 0.31 0.00 0.00 61.69 63.21 2cas s THR 265 Cb 0.00 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 2cas s THR 265 CO 0.00 0.28 -0.06 0.12 -0.69 0.00 0.00 174.62 174.28 2cas s PHE 266 N 0.73 2.98 -0.14 4.92 2.19 -0.25 -4.97 117.98 123.44 2cas s PHE 266 Ca 0.32 -0.15 -0.07 0.00 0.33 0.00 0.00 56.93 57.36 2cas s PHE 266 Cb -0.17 -1.83 -0.04 0.00 -1.31 0.00 0.00 43.02 39.68 2cas s PHE 266 CO 0.14 0.15 0.10 -0.06 1.83 0.00 0.00 175.22 177.38 2cas s PHE 267 N -0.24 3.41 0.52 10.12 0.08 -1.26 -1.19 117.98 129.42 2cas s PHE 267 Ca 0.04 0.33 0.02 0.00 0.12 0.00 0.00 56.93 57.44 2cas s PHE 267 Cb -0.13 -1.99 0.02 0.00 -0.57 0.00 0.00 43.02 40.36 2cas s PHE 267 CO 0.02 0.48 0.73 -0.06 -0.10 0.00 0.00 175.22 176.29 2cas s PHE 268 N -0.44 2.91 -0.63 0.36 0.40 -0.59 -4.89 117.98 115.09 2cas s PHE 268 Ca 0.11 -0.03 0.04 0.00 -0.60 0.00 0.00 56.93 56.44 2cas s PHE 268 Cb -0.12 -2.63 0.16 0.00 0.51 0.00 0.00 43.02 40.94 2cas s PHE 268 CO 0.02 -0.73 0.41 0.16 0.70 0.00 0.00 175.22 175.78 2cas s ASP 269 N -4.38 4.71 -0.01 1.36 -4.77 -1.26 -4.91 116.67 107.40 2cas s ASP 269 Ca 0.56 -3.43 -0.03 0.00 -3.30 0.00 0.00 52.55 46.35 2cas s ASP 269 Cb -0.10 -1.67 0.00 0.00 -1.09 0.00 0.00 42.92 40.06 2cas s ASP 269 CO 0.37 -0.17 0.06 0.00 0.70 0.00 0.00 175.17 176.14 2cas s LYS 271 N -0.45 2.49 0.75 0.00 1.02 -1.26 -4.83 119.74 117.47 2cas s LYS 271 Ca -0.05 1.75 -0.13 0.00 0.02 0.00 0.00 55.97 57.56 2cas s LYS 271 Cb -0.03 -1.88 0.05 0.00 -0.52 0.00 0.00 37.83 35.45 2cas s LYS 271 CO 0.00 -1.56 1.12 -1.25 -0.92 0.00 0.00 175.35 172.75 2cas s PRO 272 N -3.73 2.20 -0.19 -1.68 0.04 -1.26 -4.90 135.00 125.48 2cas s PRO 272 Ca 0.75 1.40 -0.09 0.00 0.04 0.00 0.00 61.00 63.10 2cas s PRO 272 Cb -0.29 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2cas s PRO 272 CO 0.41 -1.71 0.09 0.00 0.04 0.00 0.00 177.00 175.83 2cas s ARG 274 N 0.42 4.12 -0.24 0.00 0.52 -1.26 0.92 118.95 123.42 2cas s ARG 274 Ca 0.05 0.68 0.13 0.00 -0.52 0.00 0.00 55.73 56.07 2cas s ARG 274 Cb -0.12 -2.92 0.58 0.00 0.52 0.00 0.00 34.95 33.01 2cas s ARG 274 CO -0.00 0.45 1.52 1.28 0.02 0.00 0.00 175.30 178.57 2cas n LEU 275 N 0.80 4.47 -4.19 2.53 4.77 -0.73 -4.87 117.00 119.78 2cas n LEU 275 Ca -0.04 -3.26 -0.17 0.00 -0.03 0.00 0.00 56.01 52.50 2cas n LEU 275 Cb 0.51 -0.62 -0.11 0.00 -2.33 0.00 0.00 43.42 40.87 2cas n LEU 275 CO 0.43 0.86 -0.45 0.42 -1.33 0.00 0.00 177.39 177.32 2cas s THR 276 N -2.98 1.14 0.20 -5.08 -4.23 -1.26 -3.90 115.64 99.52 2cas s THR 276 Ca 0.46 -1.50 0.07 0.00 -1.18 0.00 0.00 61.69 59.54 2cas s THR 276 Cb 0.38 -1.27 -0.04 0.00 1.34 0.00 0.00 72.50 72.91 2cas s THR 276 CO 0.08 -0.36 0.05 -1.38 -0.54 0.00 0.00 174.62 172.47 2cas s HIS 277 N -1.79 2.92 0.18 3.99 -3.43 0.12 -4.89 115.29 112.39 2cas s HIS 277 Ca 0.03 -0.12 0.03 0.00 -0.80 0.00 0.00 55.06 54.20 2cas s HIS 277 Cb -0.07 -1.38 -0.03 0.00 -1.43 0.00 0.00 32.58 29.67 2cas s HIS 277 CO 0.02 0.53 0.31 0.95 -2.00 0.00 0.00 174.74 174.56 2cas s THR 278 N -1.88 5.30 0.00 -5.38 -4.23 -1.26 -0.95 115.64 107.24 2cas s THR 278 Ca 0.29 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 2cas s THR 278 Cb -0.09 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.98 2cas s THR 278 CO 0.21 -0.16 0.00 -2.67 -0.54 0.00 0.00 174.62 171.45 2cas n TRP 279 N -0.80 0.00 -2.26 3.99 4.27 -1.26 -1.23 117.44 120.15 2cas n TRP 279 Ca -0.07 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.11 2cas n TRP 279 Cb 0.55 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.47 2cas n TRP 279 CO 0.00 0.00 0.00 -0.65 -2.29 0.00 0.00 177.69 174.75 2cas s GLN 280 N -0.67 4.32 0.42 -2.67 -0.21 -1.26 -4.64 119.66 114.95 2cas s GLN 280 Ca 0.00 1.93 0.02 0.00 0.02 0.00 0.00 55.36 57.33 2cas s GLN 280 Cb 0.00 -3.48 -0.00 0.00 1.00 0.00 0.00 33.01 30.52 2cas s GLN 280 CO 0.00 -0.50 0.61 0.99 -2.12 0.00 0.00 175.29 174.28 2cas s THR 281 N 1.97 4.00 0.44 -0.19 2.01 -1.26 -4.94 115.64 117.67 2cas s THR 281 Ca 0.62 -0.65 0.23 0.00 0.31 0.00 0.00 61.69 62.21 2cas s THR 281 Cb -0.31 -3.45 0.43 0.00 0.01 0.00 0.00 72.50 69.18 2cas s THR 281 CO 0.27 -0.27 1.80 0.78 -0.69 0.00 0.00 174.62 176.50 2cas h ASN 282 N 0.54 0.31 0.38 3.53 4.21 -1.94 0.16 115.58 122.77 2cas h ASN 282 Ca -0.46 0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.10 2cas h ASN 282 Cb 1.25 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.46 2cas h ASN 282 CO 0.56 0.07 0.00 0.54 -1.29 0.00 0.00 177.43 177.31 2cas n ARG 283 N -4.49 0.17 -1.86 0.81 5.12 -1.26 -3.38 116.66 111.78 2cas n ARG 283 Ca 0.24 0.53 -0.14 0.00 -1.93 0.00 0.00 57.85 56.56 2cas n ARG 283 Cb 0.94 -1.93 0.06 0.00 -1.16 0.00 0.00 32.46 30.37 2cas n ARG 283 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2cas n ALA 284 N -1.79 4.29 -3.29 7.54 0.00 0.58 -5.05 120.51 122.79 2cas n ALA 284 Ca 0.00 -3.48 -0.35 0.00 0.00 0.00 0.00 53.44 49.61 2cas n ALA 284 Cb 0.14 -0.43 -0.14 0.00 0.00 0.00 0.00 19.45 19.02 2cas n ALA 284 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2cas s LEU 285 N -3.41 2.98 0.00 0.00 1.43 -1.22 -4.75 118.68 113.72 2cas s LEU 285 Ca 0.44 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 2cas s LEU 285 Cb 0.39 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.86 2cas s LEU 285 CO -0.00 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.23 2cas n GLY 286 N 4.37 -1.65 3.65 -3.19 0.00 -1.26 -4.90 105.19 102.21 2cas n GLY 286 Ca -0.18 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 2cas n GLY 286 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cas s LEU 287 N 0.00 4.18 0.98 0.99 2.96 -1.26 -5.00 118.68 121.52 2cas s LEU 287 Ca 0.00 1.92 -0.12 0.00 -0.22 0.00 0.00 54.13 55.71 2cas s LEU 287 Cb 0.00 -3.53 0.18 0.00 0.50 0.00 0.00 46.19 43.33 2cas s LEU 287 CO 0.00 -0.96 1.08 -2.84 -1.32 0.00 0.00 176.35 172.32 2cas s PRO 288 N 4.03 0.56 0.39 0.98 0.02 -1.26 -4.97 135.00 134.75 2cas s PRO 288 Ca 0.67 0.89 -0.26 0.00 0.02 0.00 0.00 61.00 62.33 2cas s PRO 288 Cb -0.28 -1.72 -0.09 0.00 0.02 0.00 0.00 34.50 32.43 2cas s PRO 288 CO 0.25 -2.74 1.14 -1.25 -0.33 0.00 0.00 177.00 174.08 2cas s PRO 289 N -4.78 4.14 -0.04 5.54 0.04 -1.26 -4.98 135.00 133.67 2cas s PRO 289 Ca 0.65 1.79 -0.30 0.00 0.04 0.00 0.00 61.00 63.18 2cas s PRO 289 Cb -0.20 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 2cas s PRO 289 CO 0.59 -0.23 1.27 0.12 0.04 0.00 0.00 177.00 178.79 2cas s PHE 290 N -1.42 3.07 -0.17 0.56 5.36 -1.26 -4.98 117.98 119.14 2cas s PHE 290 Ca 0.56 1.08 -0.25 0.00 -0.96 0.00 0.00 56.93 57.35 2cas s PHE 290 Cb -0.29 -3.51 -0.02 0.00 -0.34 0.00 0.00 43.02 38.86 2cas s PHE 290 CO 0.37 -1.71 0.83 -0.51 -1.46 0.00 0.00 175.22 172.75 2cas s LEU 291 N 2.28 4.18 0.00 6.12 1.43 -1.26 -4.39 118.68 127.03 2cas s LEU 291 Ca 0.59 1.18 0.27 0.00 -1.03 0.00 0.00 54.13 55.14 2cas s LEU 291 Cb -0.27 -3.24 0.88 0.00 0.03 0.00 0.00 46.19 43.59 2cas s LEU 291 CO 0.23 -0.39 1.66 0.59 0.23 0.00 0.00 176.35 178.67 2cas n ASN 292 N 5.19 0.47 -3.75 2.29 3.02 -0.50 -4.75 115.26 117.23 2cas n ASN 292 Ca 0.04 -0.28 -0.13 0.00 -0.03 0.00 0.00 54.58 54.19 2cas n ASN 292 Cb 0.49 -0.01 -0.14 0.00 -0.61 0.00 0.00 39.78 39.51 2cas n ASN 292 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2cas s SER 293 N -2.79 -0.15 0.02 6.41 1.04 -0.12 -4.76 113.70 113.36 2cas s SER 293 Ca 0.18 0.35 0.05 0.00 0.48 0.00 0.00 55.95 57.01 2cas s SER 293 Cb 0.19 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 2cas s SER 293 CO 0.58 -0.15 -0.13 -0.76 0.98 0.00 0.00 173.24 173.76 2cas s LEU 294 N 1.12 2.84 0.33 2.42 1.43 -1.26 0.14 118.68 125.69 2cas s LEU 294 Ca -0.09 -0.30 -0.28 0.00 -1.03 0.00 0.00 54.13 52.44 2cas s LEU 294 Cb -0.11 -1.65 -0.13 0.00 0.03 0.00 0.00 46.19 44.34 2cas s LEU 294 CO -0.06 0.27 1.22 -0.81 0.23 0.00 0.00 176.35 177.20 2cas n PRO 295 N 1.59 1.93 -0.03 1.29 -0.04 -1.26 -4.89 135.00 133.60 2cas n PRO 295 Ca -0.16 0.68 0.06 0.00 -0.04 0.00 0.00 63.50 64.04 2cas n PRO 295 Cb 0.52 -2.21 -0.16 0.00 -0.04 0.00 0.00 33.50 31.61 2cas n PRO 295 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2cas n GLN 296 N 0.60 0.67 -4.18 0.54 1.13 -1.26 -4.98 117.38 109.89 2cas n GLN 296 Ca 0.06 -0.15 -0.17 0.00 -1.94 0.00 0.00 57.00 54.80 2cas n GLN 296 Cb 0.35 -1.53 -0.11 0.00 0.11 0.00 0.00 30.24 29.06 2cas n GLN 296 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2cas s SER 297 N -4.78 1.62 0.55 1.08 0.15 -1.26 -5.14 113.70 105.93 2cas s SER 297 Ca -0.08 -0.69 -0.17 0.00 0.70 0.00 0.00 55.95 55.71 2cas s SER 297 Cb 0.12 -0.03 -0.05 0.00 -1.71 0.00 0.00 66.02 64.34 2cas s SER 297 CO 0.89 -0.14 1.05 -1.61 1.20 0.00 0.00 173.24 174.63 2cas s GLU 298 N -2.12 3.50 0.00 5.44 2.02 -1.26 -4.82 118.70 121.46 2cas s GLU 298 Ca 0.01 1.26 0.00 0.00 0.02 0.00 0.00 54.97 56.26 2cas s GLU 298 Cb -0.08 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.10 2cas s GLU 298 CO 0.02 -0.67 0.00 0.41 0.02 0.00 0.00 175.26 175.04 2cas n GLY 299 N -0.73 3.18 0.02 -1.39 0.00 -1.26 -4.90 105.19 100.10 2cas n GLY 299 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2cas n GLY 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cas n ALA 300 N 0.00 1.12 -0.85 4.61 0.00 -1.26 0.75 120.51 124.88 2cas n ALA 300 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2cas n ALA 300 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2cas n ALA 300 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2cas n THR 301 N -0.35 0.00 -3.05 0.00 -2.24 -1.26 -4.91 114.28 102.47 2cas n THR 301 Ca 0.00 -0.06 -0.45 0.00 -2.27 0.00 0.00 64.05 61.28 2cas n THR 301 Cb 0.00 1.85 -0.02 0.00 -2.10 0.00 0.00 70.33 70.06 2cas n THR 301 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2cas s ASN 302 N -0.00 6.80 0.59 3.42 0.02 0.23 -5.00 114.94 121.00 2cas s ASN 302 Ca 0.00 -2.50 -0.05 0.00 -1.02 0.00 0.00 52.86 49.29 2cas s ASN 302 Cb 0.00 -2.34 0.02 0.00 0.02 0.00 0.00 41.25 38.95 2cas s ASN 302 CO 0.00 -0.83 0.88 -0.36 0.02 0.00 0.00 177.10 176.81 2cas s PHE 303 N 1.60 3.13 0.47 2.20 0.08 -1.26 -4.75 117.98 119.45 2cas s PHE 303 Ca 0.31 0.48 0.07 0.00 0.12 0.00 0.00 56.93 57.92 2cas s PHE 303 Cb -0.06 -2.79 0.01 0.00 -0.57 0.00 0.00 43.02 39.61 2cas s PHE 303 CO -0.07 -0.90 0.45 0.20 -0.10 0.00 0.00 175.22 174.79 2cas s GLY 304 N -4.35 2.14 -0.03 4.36 0.00 -1.26 -4.00 107.32 104.17 2cas s GLY 304 Ca 0.55 -1.75 -0.01 0.00 0.00 0.00 0.00 44.72 43.51 2cas s GLY 304 CO 0.43 -1.75 0.06 -0.35 0.00 0.00 0.00 173.10 171.49 2cas s ASP 305 N -4.25 -0.02 -0.04 1.64 2.15 0.37 -4.98 116.67 111.54 2cas s ASP 305 Ca 0.47 0.11 -0.33 0.00 0.43 0.00 0.00 52.55 53.23 2cas s ASP 305 Cb -0.04 0.05 -0.11 0.00 -0.30 0.00 0.00 42.92 42.52 2cas s ASP 305 CO 0.28 -0.08 1.88 -0.38 -0.17 0.00 0.00 175.17 176.70 2cas n ILE 306 N 3.67 0.58 -1.91 4.11 5.41 -1.26 -0.94 119.36 129.02 2cas n ILE 306 Ca -0.20 -0.10 -0.38 0.00 1.00 0.00 0.00 62.75 63.06 2cas n ILE 306 Cb 0.55 -1.96 -0.01 0.00 -0.71 0.00 0.00 39.64 37.50 2cas n ILE 306 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2cas n GLY 307 N 4.38 5.09 3.15 7.39 0.00 -1.26 -4.66 105.19 119.27 2cas n GLY 307 Ca 0.22 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 2cas n GLY 307 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cas s VAL 308 N -1.24 0.00 0.14 1.61 1.01 -1.26 -4.93 120.40 115.73 2cas s VAL 308 Ca 0.55 -0.04 -0.32 0.00 0.00 0.00 0.00 61.98 62.18 2cas s VAL 308 Cb 0.21 -0.38 -0.11 0.00 0.00 0.00 0.00 36.38 36.10 2cas s VAL 308 CO -0.11 -0.02 1.80 0.00 0.00 0.00 0.00 175.10 176.77 2cas n GLN 309 N 2.84 2.74 -0.18 2.72 6.02 -1.26 -4.84 117.38 125.41 2cas n GLN 309 Ca -0.13 0.99 0.30 0.00 -0.01 0.00 0.00 57.00 58.15 2cas n GLN 309 Cb 0.58 -2.87 0.67 0.00 1.02 0.00 0.00 30.24 29.64 2cas n GLN 309 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2cas h GLN 310 N 8.05 0.00 -0.67 -1.09 4.20 -1.94 1.72 115.11 125.38 2cas h GLN 310 Ca -0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2cas h GLN 310 Cb 1.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2cas h GLN 310 CO 0.95 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.71 2cas n ASP 311 N -3.74 4.45 -0.14 1.46 5.75 -1.26 -1.48 116.55 121.59 2cas n ASP 311 Ca 0.20 -2.29 0.02 0.00 -0.01 0.00 0.00 54.79 52.71 2cas n ASP 311 Cb 1.18 -0.54 0.03 0.00 -1.03 0.00 0.00 41.12 40.75 2cas n ASP 311 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2cas n LYS 312 N 1.29 0.92 -2.89 0.11 4.76 0.58 -4.85 118.16 118.08 2cas n LYS 312 Ca 0.25 -1.24 -0.26 0.00 -2.87 0.00 0.00 58.31 54.19 2cas n LYS 312 Cb 0.79 -0.80 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 2cas n LYS 312 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2cas s ARG 313 N -0.75 3.54 0.30 1.97 0.52 -0.99 -4.78 118.95 118.76 2cas s ARG 313 Ca 0.06 0.04 0.06 0.00 -0.52 0.00 0.00 55.73 55.38 2cas s ARG 313 Cb 0.05 -2.47 -0.02 0.00 0.52 0.00 0.00 34.95 33.03 2cas s ARG 313 CO 0.01 -0.08 0.38 1.03 0.02 0.00 0.00 175.30 176.66 2cas s ARG 314 N -4.53 3.09 0.00 3.54 0.52 -1.26 -4.92 118.95 115.39 2cas s ARG 314 Ca 0.45 -1.02 0.00 0.00 -0.52 0.00 0.00 55.73 54.64 2cas s ARG 314 Cb -0.10 -2.73 0.00 0.00 0.52 0.00 0.00 34.95 32.63 2cas s ARG 314 CO 0.41 0.19 0.00 0.41 0.02 0.00 0.00 175.30 176.33 2cas n GLY 315 N -1.48 0.92 3.36 -3.53 0.00 -1.26 -5.05 105.19 98.15 2cas n GLY 315 Ca -0.03 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.60 2cas n GLY 315 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cas s VAL 316 N -1.04 2.18 0.27 1.61 1.01 -1.26 -5.08 120.40 118.09 2cas s VAL 316 Ca 0.00 -1.48 0.01 0.00 0.00 0.00 0.00 61.98 60.51 2cas s VAL 316 Cb 0.00 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 2cas s VAL 316 CO 0.00 0.30 0.25 0.42 0.00 0.00 0.00 175.10 176.06 2cas s THR 317 N -0.87 0.00 -0.13 3.92 -4.23 -1.26 0.19 115.64 113.26 2cas s THR 317 Ca 0.12 -1.91 0.18 0.00 -1.18 0.00 0.00 61.69 58.90 2cas s THR 317 Cb -0.10 -2.49 0.29 0.00 1.34 0.00 0.00 72.50 71.53 2cas s THR 317 CO 0.03 0.00 1.16 1.67 -0.54 0.00 0.00 174.62 176.94 2cas n GLN 318 N -0.44 1.48 -3.26 3.99 7.27 -1.26 -4.80 117.38 120.36 2cas n GLN 318 Ca 0.04 -2.53 -0.38 0.00 0.07 0.00 0.00 57.00 54.19 2cas n GLN 318 Cb 0.64 -1.49 -0.03 0.00 2.41 0.00 0.00 30.24 31.77 2cas n GLN 318 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 2cas n MET 319 N -1.33 3.58 -0.01 3.69 2.81 -1.26 -4.90 117.12 119.70 2cas n MET 319 Ca 0.15 -4.56 0.23 0.00 -1.81 0.00 0.00 57.70 51.72 2cas n MET 319 Cb 0.63 -2.44 0.61 0.00 -0.71 0.00 0.00 33.22 31.31 2cas n MET 319 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2cas h GLY 320 N 5.43 0.00 -3.07 3.03 0.00 -2.02 -0.06 103.07 106.39 2cas h GLY 320 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.23 2cas h GLY 320 CO 1.09 0.00 0.26 1.16 0.00 0.00 0.00 176.54 179.06 2cas n ASN 321 N -3.44 3.64 -3.97 0.19 0.23 -1.26 -4.97 115.26 105.69 2cas n ASN 321 Ca 0.13 -3.51 -0.09 0.00 -0.53 0.00 0.00 54.58 50.58 2cas n ASN 321 Cb 0.99 -0.72 -0.10 0.00 -2.08 0.00 0.00 39.78 37.86 2cas n ASN 321 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2cas s THR 322 N -3.16 0.13 -1.92 5.53 2.01 -0.04 -5.02 115.64 113.17 2cas s THR 322 Ca 0.51 -1.04 0.16 0.00 0.31 0.00 0.00 61.69 61.64 2cas s THR 322 Cb 0.43 -0.59 0.18 0.00 0.01 0.00 0.00 72.50 72.53 2cas s THR 322 CO 0.08 -0.57 1.07 0.59 -0.69 0.00 0.00 174.62 175.10 2cas n ASN 323 N 1.20 2.50 -4.65 3.53 3.02 -1.26 -4.91 115.26 114.70 2cas n ASN 323 Ca -0.21 -1.72 -0.42 0.00 -0.03 0.00 0.00 54.58 52.19 2cas n ASN 323 Cb 0.57 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.65 2cas n ASN 323 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2cas s TYR 324 N -1.30 3.30 -0.35 3.10 2.02 -1.26 -4.20 117.35 118.66 2cas s TYR 324 Ca 0.21 1.25 -0.02 0.00 -0.37 0.00 0.00 57.07 58.14 2cas s TYR 324 Cb 0.14 -3.22 0.08 0.00 -0.40 0.00 0.00 41.96 38.56 2cas s TYR 324 CO 0.21 -0.49 0.08 0.42 -1.57 0.00 0.00 175.55 174.21 2cas s ILE 325 N 3.08 3.03 0.41 2.71 1.01 -0.55 -4.84 121.20 126.06 2cas s ILE 325 Ca 0.39 -1.75 0.03 0.00 0.00 0.00 0.00 60.65 59.33 2cas s ILE 325 Cb -0.15 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 2cas s ILE 325 CO 0.08 -0.39 0.07 0.42 0.00 0.00 0.00 174.94 175.12 2cas s THR 326 N 1.17 1.05 0.31 2.92 -4.23 -1.26 -4.80 115.64 110.80 2cas s THR 326 Ca 0.02 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.74 2cas s THR 326 Cb -0.21 -2.49 0.20 0.00 1.34 0.00 0.00 72.50 71.34 2cas s THR 326 CO -0.03 0.00 1.91 -0.33 -0.54 0.00 0.00 174.62 175.63 2cas h GLU 327 N 1.76 0.00 0.00 3.99 4.39 -1.98 0.62 114.58 123.37 2cas h GLU 327 Ca -0.40 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.19 2cas h GLU 327 Cb 1.27 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 2cas h GLU 327 CO 0.67 0.25 -0.57 0.00 -1.16 0.00 0.00 179.01 178.20 2cas h ALA 328 N 1.75 0.65 0.09 3.43 0.00 -1.98 -3.38 119.26 119.83 2cas h ALA 328 Ca -0.00 -0.50 -0.34 0.00 0.00 0.00 0.00 54.91 54.07 2cas h ALA 328 Cb 0.58 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2cas h ALA 328 CO 0.03 0.68 -1.85 2.41 0.00 0.00 0.00 179.25 180.53 2cas n THR 329 N -3.22 1.72 -1.54 0.00 -1.04 -0.80 -4.99 114.28 104.41 2cas n THR 329 Ca 0.02 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 61.12 2cas n THR 329 Cb 0.75 -1.80 0.02 0.00 -1.82 0.00 0.00 70.33 67.48 2cas n THR 329 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cas n ILE 330 N -3.71 2.42 -2.27 12.58 0.13 0.21 -4.44 119.36 124.28 2cas n ILE 330 Ca -0.33 -0.50 -0.42 0.00 -1.10 0.00 0.00 62.75 60.41 2cas n ILE 330 Cb 0.96 -0.88 -0.03 0.00 -0.84 0.00 0.00 39.64 38.85 2cas n ILE 330 CO 0.00 0.00 0.00 -0.32 2.80 0.00 0.00 176.55 179.03 2cas s MET 331 N -2.03 4.40 0.26 9.51 -2.45 0.13 -4.95 119.30 124.18 2cas s MET 331 Ca 0.67 1.97 0.10 0.00 -1.25 0.00 0.00 55.69 57.18 2cas s MET 331 Cb -0.52 -3.24 -0.04 0.00 1.25 0.00 0.00 34.83 32.27 2cas s MET 331 CO 0.55 -0.26 -0.07 1.03 1.05 0.00 0.00 175.02 177.32 2cas s ARG 332 N 0.31 2.09 0.19 4.11 1.81 -1.26 -4.97 118.95 121.23 2cas s ARG 332 Ca 0.58 -1.51 -0.03 0.00 -1.72 0.00 0.00 55.73 53.05 2cas s ARG 332 Cb -0.35 -2.05 0.12 0.00 -0.45 0.00 0.00 34.95 32.23 2cas s ARG 332 CO 0.35 0.36 1.51 -1.35 -0.68 0.00 0.00 175.30 175.49 2cas h PRO 333 N 2.08 0.54 0.00 3.54 0.11 -1.95 -3.48 132.00 132.84 2cas h PRO 333 Ca -0.43 -0.34 0.00 0.00 0.11 0.00 0.00 66.00 65.34 2cas h PRO 333 Cb 1.25 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2cas h PRO 333 CO 0.60 0.95 0.00 0.00 -0.21 0.00 0.00 178.00 179.33 2cas n ALA 334 N -2.52 0.00 -3.02 -0.75 0.00 -1.26 -5.07 120.51 107.89 2cas n ALA 334 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.12 2cas n ALA 334 Cb 0.60 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.89 2cas n ALA 334 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2cas s GLU 335 N 0.19 2.24 -0.37 0.00 2.12 0.22 -4.98 118.70 118.12 2cas s GLU 335 Ca 0.00 -0.71 -0.21 0.00 0.36 0.00 0.00 54.97 54.41 2cas s GLU 335 Cb 0.00 -1.84 0.01 0.00 0.26 0.00 0.00 34.13 32.55 2cas s GLU 335 CO 0.00 0.23 0.66 0.08 -0.54 0.00 0.00 175.26 175.69 2cas s VAL 336 N 0.16 4.85 0.00 3.70 1.01 -1.26 -0.53 120.40 128.33 2cas s VAL 336 Ca -0.09 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2cas s VAL 336 Cb -0.14 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2cas s VAL 336 CO 0.04 -0.37 0.00 0.61 0.00 0.00 0.00 175.10 175.38 2cas n GLY 337 N 4.70 -0.81 3.57 4.51 0.00 0.77 -4.77 105.19 113.16 2cas n GLY 337 Ca -0.01 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 2cas n GLY 337 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2cas s TYR 338 N -1.55 -0.18 -0.13 1.61 1.13 -1.26 -4.64 117.35 112.33 2cas s TYR 338 Ca 0.00 -0.17 -0.06 0.00 -1.41 0.00 0.00 57.07 55.44 2cas s TYR 338 Cb 0.00 0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 41.29 2cas s TYR 338 CO 0.00 -0.97 0.09 -1.12 -2.51 0.00 0.00 175.55 171.03 2cas s SER 339 N -2.87 5.91 0.05 -0.18 0.01 -1.26 -4.83 113.70 110.53 2cas s SER 339 Ca 0.09 0.29 0.03 0.00 1.31 0.00 0.00 55.95 57.67 2cas s SER 339 Cb -0.02 -1.88 -0.03 0.00 0.21 0.00 0.00 66.02 64.30 2cas s SER 339 CO -0.02 0.34 -0.10 0.00 0.41 0.00 0.00 173.24 173.87 2cas s ALA 340 N -0.63 0.77 0.27 1.44 0.00 -1.19 -0.03 121.76 122.38 2cas s ALA 340 Ca 0.12 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 2cas s ALA 340 Cb -0.12 0.01 -0.14 0.00 0.00 0.00 0.00 23.12 22.87 2cas s ALA 340 CO 0.02 0.02 1.24 -2.30 0.00 0.00 0.00 175.76 174.75 2cas n PRO 341 N 1.33 1.75 -4.94 0.00 -0.02 -0.37 -4.77 135.00 127.98 2cas n PRO 341 Ca -0.22 0.62 -0.28 0.00 -2.02 0.00 0.00 63.50 61.60 2cas n PRO 341 Cb 0.55 -2.16 -0.17 0.00 -0.02 0.00 0.00 33.50 31.70 2cas n PRO 341 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2cas s TYR 342 N -0.58 2.01 -0.78 6.00 1.13 -0.41 -4.48 117.35 120.25 2cas s TYR 342 Ca 0.63 -0.74 -0.03 0.00 -1.41 0.00 0.00 57.07 55.53 2cas s TYR 342 Cb -0.67 -1.38 -0.03 0.00 -1.10 0.00 0.00 41.96 38.78 2cas s TYR 342 CO 0.56 -0.30 0.70 0.66 -2.51 0.00 0.00 175.55 174.65 2cas n TYR 343 N 3.48 -2.30 -3.71 -3.49 4.02 -1.26 -4.73 117.16 109.17 2cas n TYR 343 Ca -0.20 0.84 -0.37 0.00 -0.01 0.00 0.00 57.90 58.16 2cas n TYR 343 Cb 0.52 -3.82 -0.12 0.00 -0.02 0.00 0.00 39.34 35.90 2cas n TYR 343 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2cas s SER 344 N -3.12 5.32 -0.16 7.72 0.15 -1.26 -5.07 113.70 117.29 2cas s SER 344 Ca 0.22 -0.27 -0.05 0.00 0.70 0.00 0.00 55.95 56.55 2cas s SER 344 Cb -0.03 -1.96 -0.03 0.00 -1.71 0.00 0.00 66.02 62.29 2cas s SER 344 CO 0.63 -0.07 0.00 -0.36 1.20 0.00 0.00 173.24 174.64 2cas s PHE 345 N 1.63 3.13 0.29 3.44 0.40 -1.26 0.35 117.98 125.95 2cas s PHE 345 Ca 0.06 -0.10 0.10 0.00 -0.60 0.00 0.00 56.93 56.39 2cas s PHE 345 Cb -0.16 -1.98 -0.05 0.00 0.51 0.00 0.00 43.02 41.35 2cas s PHE 345 CO 0.05 0.10 -0.01 -1.21 0.70 0.00 0.00 175.22 174.85 2cas s GLU 346 N 0.20 2.19 -0.00 0.44 2.02 0.16 -4.86 118.70 118.84 2cas s GLU 346 Ca 0.01 -1.53 0.00 0.00 0.02 0.00 0.00 54.97 53.47 2cas s GLU 346 Cb -0.13 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.03 2cas s GLU 346 CO 0.02 0.30 -0.01 0.00 0.02 0.00 0.00 175.26 175.59 2cas s ALA 347 N -2.39 0.11 0.00 5.21 0.00 -1.26 -0.78 121.76 122.65 2cas s ALA 347 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2cas s ALA 347 Cb -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.01 2cas s ALA 347 CO 0.19 0.01 0.00 0.45 0.00 0.00 0.00 175.76 176.41 2cas n SER 348 N 3.23 0.72 0.22 0.00 2.88 -1.22 -5.02 113.62 114.43 2cas n SER 348 Ca -0.15 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.53 2cas n SER 348 Cb 0.58 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.60 2cas n SER 348 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2cas h THR 349 N 0.00 0.07 0.00 2.46 2.02 -1.95 -3.17 112.91 112.34 2cas h THR 349 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2cas h THR 349 Cb 0.00 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 2cas h THR 349 CO 0.00 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.74 2cas n GLN 350 N -2.99 0.97 0.00 6.66 6.02 -1.26 -2.65 117.38 124.12 2cas n GLN 350 Ca 0.03 -1.91 0.00 0.00 -0.01 0.00 0.00 57.00 55.12 2cas n GLN 350 Cb 0.71 -1.10 0.00 0.00 1.02 0.00 0.00 30.24 30.87 2cas n GLN 350 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cas n GLY 351 N -0.85 2.08 3.85 1.08 0.00 -1.20 -4.53 105.19 105.61 2cas n GLY 351 Ca 0.09 -2.14 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 2cas n GLY 351 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cas s PRO 352 N -1.67 3.69 -0.06 1.61 0.04 -1.26 -3.40 135.00 133.94 2cas s PRO 352 Ca 0.00 0.91 -0.15 0.00 0.04 0.00 0.00 61.00 61.79 2cas s PRO 352 Cb 0.00 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.48 2cas s PRO 352 CO 0.00 -0.49 0.36 -0.59 0.04 0.00 0.00 177.00 176.32 2cas s PHE 353 N -2.83 -0.30 0.20 0.56 -0.12 0.04 -4.94 117.98 110.59 2cas s PHE 353 Ca 0.58 0.61 -0.30 0.00 -0.05 0.00 0.00 56.93 57.77 2cas s PHE 353 Cb -0.11 0.14 -0.08 0.00 -0.63 0.00 0.00 43.02 42.33 2cas s PHE 353 CO 0.42 -0.34 1.22 0.21 -0.05 0.00 0.00 175.22 176.68 2cas s LYS 354 N -0.76 4.47 -0.12 1.99 2.20 -1.26 0.37 119.74 126.62 2cas s LYS 354 Ca -0.08 1.93 -0.29 0.00 -0.36 0.00 0.00 55.97 57.16 2cas s LYS 354 Cb -0.04 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 33.04 2cas s LYS 354 CO 0.03 -0.11 1.38 0.99 -0.36 0.00 0.00 175.35 177.28 2cas s THR 355 N -0.15 4.05 0.51 3.43 2.01 0.15 -4.87 115.64 120.78 2cas s THR 355 Ca 0.53 1.28 -0.17 0.00 0.31 0.00 0.00 61.69 63.64 2cas s THR 355 Cb -0.34 -3.83 -0.08 0.00 0.01 0.00 0.00 72.50 68.27 2cas s THR 355 CO 0.38 -0.11 1.00 -2.16 -0.69 0.00 0.00 174.62 173.04 2cas s PRO 356 N 3.59 3.88 0.02 4.92 0.04 -1.26 -4.84 135.00 141.34 2cas s PRO 356 Ca 0.61 1.06 0.08 0.00 0.04 0.00 0.00 61.00 62.78 2cas s PRO 356 Cb -0.26 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 2cas s PRO 356 CO 0.20 -0.34 -0.24 0.42 0.04 0.00 0.00 177.00 177.08 2cas s ILE 357 N -2.47 1.91 0.11 0.56 1.01 -1.26 -5.07 121.20 115.99 2cas s ILE 357 Ca 0.61 -1.18 -0.11 0.00 0.00 0.00 0.00 60.65 59.97 2cas s ILE 357 Cb -0.11 -1.62 -0.15 0.00 0.01 0.00 0.00 42.46 40.59 2cas s ILE 357 CO 0.28 0.39 1.32 0.00 0.00 0.00 0.00 174.94 176.94 2cas h ALA 358 N 5.12 0.35 -3.76 9.38 0.00 -1.98 -3.46 119.26 124.91 2cas h ALA 358 Ca -0.43 -0.61 -0.26 0.00 0.00 0.00 0.00 54.91 53.61 2cas h ALA 358 Cb 1.14 -0.02 -0.28 0.00 0.00 0.00 0.00 17.79 18.63 2cas h ALA 358 CO 0.45 0.70 -0.73 0.00 0.00 0.00 0.00 179.25 179.67 2cas s ALA 359 N -3.71 0.15 0.37 0.00 0.00 -1.26 -4.87 121.76 112.43 2cas s ALA 359 Ca -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.77 2cas s ALA 359 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.18 2cas s ALA 359 CO 0.90 0.03 0.00 0.41 0.00 0.00 0.00 175.76 177.09 2cas n GLY 360 N 2.98 1.40 0.00 0.00 0.00 -1.15 -4.71 105.19 103.71 2cas n GLY 360 Ca -0.13 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2cas n GLY 360 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2cas n ARG 361 N 0.00 3.23 0.00 1.61 1.85 -1.26 -3.77 116.66 118.32 2cas n ARG 361 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2cas n ARG 361 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2cas n ARG 361 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2cas n GLY 362 N 4.04 3.55 0.00 2.89 0.00 -1.26 -4.78 105.19 109.63 2cas n GLY 362 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.44 2cas n GLY 362 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cas n GLY 363 N -0.44 0.23 0.37 -0.02 0.00 0.56 -4.62 105.19 101.28 2cas n GLY 363 Ca 0.00 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 45.83 2cas n GLY 363 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cas h ALA 364 N 0.00 1.87 0.00 4.61 0.00 -2.03 -3.29 119.26 120.42 2cas h ALA 364 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2cas h ALA 364 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2cas h ALA 364 CO 0.00 -0.07 -1.38 1.04 0.00 0.00 0.00 179.25 178.84 2cas n GLN 365 N -4.52 0.15 -4.54 0.00 3.00 -1.26 -5.01 117.38 105.20 2cas n GLN 365 Ca 0.15 0.05 -0.33 0.00 -0.01 0.00 0.00 57.00 56.85 2cas n GLN 365 Cb 0.42 -0.93 -0.13 0.00 0.00 0.00 0.00 30.24 29.60 2cas n GLN 365 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2cas s THR 366 N -2.13 3.48 0.00 5.09 -4.23 -1.24 -4.16 115.64 112.45 2cas s THR 366 Ca -0.09 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 2cas s THR 366 Cb 0.03 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.37 2cas s THR 366 CO 0.13 0.50 0.00 -0.67 -0.54 0.00 0.00 174.62 174.05 2cas n ASP 367 N 3.61 1.90 -0.26 3.99 2.03 -1.24 -0.32 116.55 126.26 2cas n ASP 367 Ca -0.18 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.19 2cas n ASP 367 Cb 0.52 0.00 0.29 0.00 -0.72 0.00 0.00 41.12 41.21 2cas n ASP 367 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2cas h GLU 368 N 0.00 0.89 0.07 -0.67 4.81 -2.00 -2.14 114.58 115.55 2cas h GLU 368 Ca 0.00 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2cas h GLU 368 Cb 0.00 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.18 2cas h GLU 368 CO 0.00 0.59 -0.04 -0.97 -0.73 0.00 0.00 179.01 177.86 2cas h ASN 369 N 0.92 -0.08 0.00 1.04 -0.00 -1.94 -3.18 115.58 112.34 2cas h ASN 369 Ca 0.37 -0.51 -0.59 0.00 -0.00 0.00 0.00 56.30 55.57 2cas h ASN 369 Cb 0.25 0.02 0.02 0.00 -0.00 0.00 0.00 38.32 38.61 2cas h ASN 369 CO -0.14 0.52 2.98 1.67 -0.00 0.00 0.00 177.43 182.46 2cas n GLN 370 N -4.85 2.54 -2.50 6.67 -0.06 -0.81 -4.86 117.38 113.51 2cas n GLN 370 Ca -0.08 -1.98 -0.42 0.00 -2.00 0.00 0.00 57.00 52.52 2cas n GLN 370 Cb 0.29 -2.83 -0.03 0.00 -4.06 0.00 0.00 30.24 23.61 2cas n GLN 370 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2cas s ALA 371 N 3.39 3.35 0.29 1.69 0.00 -1.18 -3.67 121.76 125.63 2cas s ALA 371 Ca 0.53 0.79 0.04 0.00 0.00 0.00 0.00 51.96 53.32 2cas s ALA 371 Cb 0.14 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 2cas s ALA 371 CO -0.02 -0.31 0.22 0.00 0.00 0.00 0.00 175.76 175.65 2cas s ALA 372 N 0.53 1.67 0.19 0.00 0.00 -1.26 -5.10 121.76 117.79 2cas s ALA 372 Ca 0.54 -1.91 -0.20 0.00 0.00 0.00 0.00 51.96 50.39 2cas s ALA 372 Cb -0.28 1.41 -0.08 0.00 0.00 0.00 0.00 23.12 24.17 2cas s ALA 372 CO 0.31 -0.62 0.70 0.34 0.00 0.00 0.00 175.76 176.49 2cas s ASP 373 N -3.31 7.09 0.00 0.00 2.15 -1.26 -4.39 116.67 116.94 2cas s ASP 373 Ca 0.39 1.40 0.00 0.00 0.43 0.00 0.00 52.55 54.78 2cas s ASP 373 Cb 0.04 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2cas s ASP 373 CO 0.22 0.09 0.00 0.61 -0.17 0.00 0.00 175.17 175.92 2cas n GLY 374 N 0.97 2.41 3.70 2.66 0.00 -1.26 -4.05 105.19 109.62 2cas n GLY 374 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2cas n GLY 374 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cas s ASN 375 N -0.39 7.06 0.47 1.61 -0.87 -1.26 -2.95 114.94 118.62 2cas s ASN 375 Ca 0.00 1.29 -0.17 0.00 -1.57 0.00 0.00 52.86 52.41 2cas s ASN 375 Cb 0.00 -2.47 -0.09 0.00 -0.02 0.00 0.00 41.25 38.68 2cas s ASN 375 CO 0.00 -0.26 0.95 -2.16 -2.57 0.00 0.00 177.10 173.05 2cas s PRO 376 N 1.39 4.01 -0.08 -0.60 0.04 -1.26 -4.80 135.00 133.71 2cas s PRO 376 Ca 0.41 0.94 0.03 0.00 0.04 0.00 0.00 61.00 62.43 2cas s PRO 376 Cb -0.18 -2.18 0.01 0.00 0.04 0.00 0.00 34.50 32.18 2cas s PRO 376 CO 0.18 -0.17 -0.18 0.50 0.04 0.00 0.00 177.00 177.38 2cas s ARG 377 N -3.76 2.32 -0.16 4.56 3.52 -1.26 0.05 118.95 124.22 2cas s ARG 377 Ca 0.59 -0.64 -0.02 0.00 -0.13 0.00 0.00 55.73 55.53 2cas s ARG 377 Cb -0.10 -1.82 -0.01 0.00 -1.56 0.00 0.00 34.95 31.46 2cas s ARG 377 CO 0.26 0.11 -0.09 0.71 -0.81 0.00 0.00 175.30 175.48 2cas s TYR 378 N 0.48 2.89 -0.10 5.12 2.02 0.77 -4.94 117.35 123.59 2cas s TYR 378 Ca -0.16 -0.69 0.02 0.00 -0.37 0.00 0.00 57.07 55.87 2cas s TYR 378 Cb -0.17 -1.94 -0.01 0.00 -0.40 0.00 0.00 41.96 39.44 2cas s TYR 378 CO 0.06 -0.29 -0.17 0.00 -1.57 0.00 0.00 175.55 173.57 2cas s ALA 379 N 0.70 2.46 0.16 3.71 0.00 -1.26 -0.87 121.76 126.67 2cas s ALA 379 Ca -0.04 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 50.73 2cas s ALA 379 Cb -0.15 -1.01 0.06 0.00 0.00 0.00 0.00 23.12 22.02 2cas s ALA 379 CO 0.02 0.33 0.76 -0.59 0.00 0.00 0.00 175.76 176.28 2cas s PHE 380 N 0.12 -0.32 0.15 0.00 -0.12 0.13 -4.70 117.98 113.23 2cas s PHE 380 Ca -0.09 0.04 -0.01 0.00 -0.05 0.00 0.00 56.93 56.83 2cas s PHE 380 Cb -0.15 0.61 0.03 0.00 -0.63 0.00 0.00 43.02 42.88 2cas s PHE 380 CO 0.05 -0.89 0.20 0.41 -0.05 0.00 0.00 175.22 174.95 2cas n GLY 381 N -0.39 0.28 0.22 1.99 0.00 -1.26 0.09 105.19 106.12 2cas n GLY 381 Ca -0.10 -1.90 0.02 0.00 0.00 0.00 0.00 46.02 44.04 2cas n GLY 381 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2cas h ARG 382 N 0.00 0.18 0.00 1.61 3.08 -1.89 0.22 114.38 117.57 2cas h ARG 382 Ca -0.07 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2cas h ARG 382 Cb 0.23 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2cas h ARG 382 CO 0.06 0.42 0.00 1.96 -1.07 0.00 0.00 179.97 181.34 2cas h GLN 383 N 0.17 0.00 -0.50 0.04 4.20 -1.96 -3.35 115.11 113.70 2cas h GLN 383 Ca 0.03 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.39 2cas h GLN 383 Cb 0.52 0.00 -0.38 0.00 0.30 0.00 0.00 27.48 27.92 2cas h GLN 383 CO 0.04 0.00 -0.94 0.72 -0.67 0.00 0.00 178.83 177.97 2cas n HIS 384 N -2.58 1.70 0.00 2.96 8.25 -1.09 -0.98 115.22 123.48 2cas n HIS 384 Ca 0.03 -2.00 0.00 0.00 -0.26 0.00 0.00 57.72 55.48 2cas n HIS 384 Cb 0.33 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.17 2cas n HIS 384 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2cas n GLY 385 N -0.60 3.05 3.78 -1.41 0.00 -1.19 -4.78 105.19 104.03 2cas n GLY 385 Ca 0.23 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 2cas n GLY 385 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cas s GLN 386 N 0.00 4.10 0.06 1.61 0.74 0.74 -1.72 119.66 125.20 2cas s GLN 386 Ca 0.00 2.59 -0.33 0.00 0.05 0.00 0.00 55.36 57.66 2cas s GLN 386 Cb 0.00 -2.97 -0.12 0.00 1.10 0.00 0.00 33.01 31.01 2cas s GLN 386 CO 0.00 -0.56 1.74 1.17 -0.55 0.00 0.00 175.29 177.09 2cas n LYS 387 N 0.69 2.28 -0.11 1.67 3.00 -1.26 -4.29 118.16 120.15 2cas n LYS 387 Ca 0.02 0.83 -0.05 0.00 -0.00 0.00 0.00 58.31 59.10 2cas n LYS 387 Cb 0.39 -2.65 0.01 0.00 0.00 0.00 0.00 35.03 32.78 2cas n LYS 387 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2cas h THR 388 N 4.51 0.53 -0.00 3.15 2.02 -0.44 -1.21 112.91 121.47 2cas h THR 388 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2cas h THR 388 Cb 1.26 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2cas h THR 388 CO 0.92 0.00 -0.00 0.35 0.37 0.00 0.00 175.52 177.16 2cas n THR 389 N -5.33 0.00 -2.44 3.16 -2.24 -1.26 -4.86 114.28 101.31 2cas n THR 389 Ca 0.02 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2cas n THR 389 Cb 0.24 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.03 2cas n THR 389 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2cas s THR 390 N -2.11 3.97 0.15 4.28 2.01 -0.46 -5.01 115.64 118.47 2cas s THR 390 Ca 0.44 1.48 -0.12 0.00 0.31 0.00 0.00 61.69 63.80 2cas s THR 390 Cb 0.22 -3.95 -0.07 0.00 0.01 0.00 0.00 72.50 68.71 2cas s THR 390 CO 0.39 0.15 0.50 0.42 -0.69 0.00 0.00 174.62 175.39 2cas s THR 391 N 0.70 4.95 0.00 -0.82 -4.23 -1.26 -4.96 115.64 110.01 2cas s THR 391 Ca 0.56 0.62 0.00 0.00 -1.18 0.00 0.00 61.69 61.69 2cas s THR 391 Cb -0.30 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 69.86 2cas s THR 391 CO 0.31 0.18 0.00 0.61 -0.54 0.00 0.00 174.62 175.18 2cas n GLY 392 N 0.60 3.42 1.50 3.99 0.00 -1.26 -4.95 105.19 108.50 2cas n GLY 392 Ca -0.05 -1.64 0.08 0.00 0.00 0.00 0.00 46.02 44.41 2cas n GLY 392 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cas n GLU 393 N -0.43 3.97 -2.78 1.61 -0.58 -1.26 -4.97 120.64 116.20 2cas n GLU 393 Ca 0.00 -2.94 -0.41 0.00 -0.42 0.00 0.00 57.16 53.39 2cas n GLU 393 Cb 0.00 -1.99 -0.04 0.00 -0.57 0.00 0.00 31.44 28.84 2cas n GLU 393 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2cas s THR 394 N -2.36 4.68 1.00 2.62 2.01 -1.26 -5.00 115.64 117.33 2cas s THR 394 Ca 0.49 1.96 -0.11 0.00 0.31 0.00 0.00 61.69 64.34 2cas s THR 394 Cb 0.35 -4.27 0.19 0.00 0.01 0.00 0.00 72.50 68.78 2cas s THR 394 CO 0.18 0.27 1.09 -2.16 -0.69 0.00 0.00 174.62 173.31 2cas s PRO 395 N 0.34 0.35 0.02 4.92 0.04 -1.26 -4.99 135.00 134.41 2cas s PRO 395 Ca 0.47 1.18 -0.10 0.00 0.04 0.00 0.00 61.00 62.59 2cas s PRO 395 Cb -0.22 -1.68 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 2cas s PRO 395 CO 0.28 -2.97 0.34 -2.00 0.04 0.00 0.00 177.00 172.68 2cas s GLU 396 N -4.62 3.72 0.26 4.56 2.56 0.11 -4.83 118.70 120.46 2cas s GLU 396 Ca 0.67 0.14 -0.03 0.00 0.00 0.00 0.00 54.97 55.75 2cas s GLU 396 Cb -0.23 -3.10 -0.02 0.00 2.00 0.00 0.00 34.13 32.78 2cas s GLU 396 CO 0.60 0.65 0.31 1.03 -0.56 0.00 0.00 175.26 177.29 2cas s ARG 397 N -1.53 1.52 -0.20 4.30 0.52 -1.25 0.19 118.95 122.50 2cas s ARG 397 Ca 0.27 -1.62 -0.29 0.00 -0.52 0.00 0.00 55.73 53.56 2cas s ARG 397 Cb -0.14 0.36 0.14 0.00 0.52 0.00 0.00 34.95 35.83 2cas s ARG 397 CO 0.15 -0.58 1.08 -0.59 0.02 0.00 0.00 175.30 175.38 2cas s PHE 398 N -3.78 -0.30 -0.18 -0.53 -0.12 -0.05 -4.96 117.98 108.07 2cas s PHE 398 Ca 0.33 0.54 -0.04 0.00 -0.05 0.00 0.00 56.93 57.72 2cas s PHE 398 Cb 0.03 0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 42.85 2cas s PHE 398 CO 0.15 -0.26 -0.03 0.99 -0.05 0.00 0.00 175.22 176.03 2cas s THR 399 N -0.96 3.83 -0.32 -4.49 2.01 -1.26 -0.16 115.64 114.29 2cas s THR 399 Ca 0.01 -0.37 -0.19 0.00 0.31 0.00 0.00 61.69 61.45 2cas s THR 399 Cb -0.01 -2.70 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 2cas s THR 399 CO -0.01 0.46 0.56 -0.47 -0.69 0.00 0.00 174.62 174.47 2cas s TYR 400 N 0.74 3.20 -0.40 4.92 5.04 0.11 -5.00 117.35 125.96 2cas s TYR 400 Ca -0.01 0.43 -0.07 0.00 -2.44 0.00 0.00 57.07 54.98 2cas s TYR 400 Cb -0.14 -2.93 0.08 0.00 0.35 0.00 0.00 41.96 39.32 2cas s TYR 400 CO 0.02 -0.47 0.22 0.42 -1.34 0.00 0.00 175.55 174.39 2cas s ILE 401 N 2.48 3.95 0.22 3.14 -1.09 -1.26 -4.05 121.20 124.59 2cas s ILE 401 Ca 0.22 -1.47 -0.03 0.00 -2.23 0.00 0.00 60.65 57.14 2cas s ILE 401 Cb -0.15 -3.43 0.05 0.00 -1.58 0.00 0.00 42.46 37.35 2cas s ILE 401 CO 0.12 -0.47 0.12 0.00 -1.23 0.00 0.00 174.94 173.48 2cas n ALA 402 N 4.84 -0.74 -0.09 9.38 0.00 -1.26 -4.99 120.51 127.64 2cas n ALA 402 Ca -0.09 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2cas n ALA 402 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2cas n ALA 402 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2cas n HIS 403 N -3.31 0.00 -2.83 0.00 8.25 -1.26 -5.00 115.22 111.07 2cas n HIS 403 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 2cas n HIS 403 Cb 0.08 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.16 2cas n HIS 403 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2cas s GLN 404 N -0.48 4.24 -0.90 -0.41 -2.07 -1.26 -4.67 119.66 114.12 2cas s GLN 404 Ca 0.00 1.08 -0.24 0.00 -1.82 0.00 0.00 55.36 54.39 2cas s GLN 404 Cb 0.00 -3.62 0.06 0.00 -1.09 0.00 0.00 33.01 28.36 2cas s GLN 404 CO 0.00 -0.48 1.32 -0.51 -1.32 0.00 0.00 175.29 174.30 2cas s ASP 405 N 1.24 6.39 0.00 12.60 1.01 -0.36 -4.66 116.67 132.89 2cas s ASP 405 Ca 0.39 -1.20 0.00 0.00 0.71 0.00 0.00 52.55 52.45 2cas s ASP 405 Cb -0.16 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.24 2cas s ASP 405 CO 0.09 -1.55 0.58 0.35 0.21 0.00 0.00 175.17 174.85 2cas n THR 406 N 6.49 0.22 -1.66 -1.27 -2.24 -1.26 -4.62 114.28 109.93 2cas n THR 406 Ca 0.20 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2cas n THR 406 Cb 0.50 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 2cas n THR 406 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cas n GLY 407 N -0.11 1.84 3.08 3.38 0.00 -1.25 -4.30 105.19 107.83 2cas n GLY 407 Ca 0.00 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 2cas n GLY 407 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cas s ARG 408 N 3.17 0.51 -0.69 1.61 1.81 -1.26 -4.87 118.95 119.23 2cas s ARG 408 Ca 0.00 -0.74 -0.07 0.00 -1.72 0.00 0.00 55.73 53.20 2cas s ARG 408 Cb 0.00 0.19 0.18 0.00 -0.45 0.00 0.00 34.95 34.87 2cas s ARG 408 CO 0.00 -0.11 0.56 -0.47 -0.68 0.00 0.00 175.30 174.59 2cas s TYR 409 N -2.34 3.54 0.59 -0.53 5.04 -1.26 -4.76 117.35 117.64 2cas s TYR 409 Ca -0.07 -2.39 0.29 0.00 -2.44 0.00 0.00 57.07 52.46 2cas s TYR 409 Cb -0.03 -3.45 1.69 0.00 0.35 0.00 0.00 41.96 40.52 2cas s TYR 409 CO -0.04 -0.91 2.11 -1.35 -1.34 0.00 0.00 175.55 174.03 2cas h PRO 410 N 7.41 0.00 0.00 4.97 0.11 -1.98 -0.75 132.00 141.76 2cas h PRO 410 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2cas h PRO 410 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2cas h PRO 410 CO 0.74 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.92 2cas n GLU 411 N -3.75 0.18 -0.01 1.05 4.71 -1.26 -2.22 120.64 119.35 2cas n GLU 411 Ca 0.01 0.52 0.09 0.00 -0.01 0.00 0.00 57.16 57.76 2cas n GLU 411 Cb 0.31 -1.92 0.07 0.00 -1.01 0.00 0.00 31.44 28.89 2cas n GLU 411 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2cas n GLY 412 N -0.53 0.32 3.82 0.62 0.00 -0.29 -4.87 105.19 104.27 2cas n GLY 412 Ca 0.01 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 2cas n GLY 412 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cas s ASP 413 N -1.41 6.51 -0.19 1.61 1.01 -0.94 -5.10 116.67 118.16 2cas s ASP 413 Ca 0.20 1.69 -0.28 0.00 0.71 0.00 0.00 52.55 54.88 2cas s ASP 413 Cb 0.14 -2.53 0.08 0.00 1.01 0.00 0.00 42.92 41.63 2cas s ASP 413 CO 0.21 -0.67 0.79 -1.66 0.21 0.00 0.00 175.17 174.05 2cas s TRP 414 N -2.40 -0.65 0.07 4.23 -2.14 -1.26 -4.23 118.94 112.56 2cas s TRP 414 Ca 0.62 1.40 0.03 0.00 2.66 0.00 0.00 56.10 60.80 2cas s TRP 414 Cb -0.12 0.35 -0.04 0.00 -3.10 0.00 0.00 33.47 30.56 2cas s TRP 414 CO 0.26 -0.43 0.05 0.42 -2.66 0.00 0.00 176.95 174.60 2cas s ILE 415 N -0.34 4.37 -0.18 0.66 -1.09 -0.79 -4.97 121.20 118.86 2cas s ILE 415 Ca -0.03 -0.80 -0.16 0.00 -2.23 0.00 0.00 60.65 57.42 2cas s ILE 415 Cb -0.03 -3.08 0.05 0.00 -1.58 0.00 0.00 42.46 37.82 2cas s ILE 415 CO 0.03 0.15 0.48 0.00 -1.23 0.00 0.00 174.94 174.37 2cas s GLN 416 N -2.27 0.56 0.31 2.79 -2.07 -1.26 -1.87 119.66 115.85 2cas s GLN 416 Ca 0.27 0.67 -0.27 0.00 -1.82 0.00 0.00 55.36 54.21 2cas s GLN 416 Cb -0.12 0.27 -0.14 0.00 -1.09 0.00 0.00 33.01 31.93 2cas s GLN 416 CO 0.20 -0.07 0.99 -1.71 -1.32 0.00 0.00 175.29 173.38 2cas n ASN 417 N 2.85 1.20 0.22 12.60 2.85 0.27 -4.91 115.26 130.34 2cas n ASN 417 Ca -0.13 1.15 0.17 0.00 -0.11 0.00 0.00 54.58 55.66 2cas n ASN 417 Cb 0.57 -1.29 0.85 0.00 1.24 0.00 0.00 39.78 41.14 2cas n ASN 417 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 2cas h ILE 418 N 1.88 0.44 -0.01 -1.44 6.09 -2.01 -2.77 117.51 119.69 2cas h ILE 418 Ca -0.40 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 2cas h ILE 418 Cb 1.34 0.85 -0.00 0.00 0.47 0.00 0.00 36.82 39.48 2cas h ILE 418 CO 0.60 0.00 0.01 0.78 -3.07 0.00 0.00 178.15 176.47 2cas h ASN 419 N 0.00 0.00 -6.00 2.19 4.21 -1.98 -3.46 115.58 110.54 2cas h ASN 419 Ca 0.08 0.00 -0.41 0.00 1.21 0.00 0.00 56.30 57.18 2cas h ASN 419 Cb 0.46 0.00 0.07 0.00 -1.12 0.00 0.00 38.32 37.73 2cas h ASN 419 CO -0.00 0.00 -0.76 0.33 -1.29 0.00 0.00 177.43 175.71 2cas n PHE 420 N -4.32 -2.32 -2.57 1.19 7.35 -1.05 -4.95 117.46 110.79 2cas n PHE 420 Ca -0.03 0.92 -0.43 0.00 -0.76 0.00 0.00 57.45 57.16 2cas n PHE 420 Cb 0.10 -4.59 -0.02 0.00 0.35 0.00 0.00 39.48 35.32 2cas n PHE 420 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2cas s ASN 421 N -3.82 7.10 -0.00 -2.13 -0.87 -1.26 -5.01 114.94 108.94 2cas s ASN 421 Ca 0.33 1.59 -0.01 0.00 -1.57 0.00 0.00 52.86 53.20 2cas s ASN 421 Cb -0.16 -2.55 -0.00 0.00 -0.02 0.00 0.00 41.25 38.52 2cas s ASN 421 CO 0.78 -0.61 0.23 -0.07 -2.57 0.00 0.00 177.10 174.86 2cas h LEU 422 N 8.83 -0.02 -8.45 0.60 3.38 -2.01 -3.34 115.31 114.30 2cas h LEU 422 Ca -0.27 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.24 2cas h LEU 422 Cb 1.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2cas h LEU 422 CO 0.92 0.01 1.64 -0.81 0.09 0.00 0.00 178.44 180.30 2cas n PRO 423 N -2.22 0.77 -1.72 1.13 -0.04 -1.26 -4.62 135.00 127.04 2cas n PRO 423 Ca -0.00 -0.02 -0.40 0.00 -0.04 0.00 0.00 63.50 63.03 2cas n PRO 423 Cb 0.01 -2.97 0.02 0.00 -0.04 0.00 0.00 33.50 30.51 2cas n PRO 423 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2cas n VAL 424 N 7.89 2.68 -3.39 0.52 3.14 -1.25 -4.95 118.33 122.97 2cas n VAL 424 Ca 0.44 -0.50 -0.38 0.00 -2.96 0.00 0.00 64.34 60.94 2cas n VAL 424 Cb 0.42 -1.67 -0.08 0.00 -1.06 0.00 0.00 33.84 31.45 2cas n VAL 424 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2cas s THR 425 N -1.20 5.19 0.17 1.55 2.01 -1.26 -4.96 115.64 117.13 2cas s THR 425 Ca 0.61 0.66 0.14 0.00 0.31 0.00 0.00 61.69 63.42 2cas s THR 425 Cb -0.48 -3.72 0.21 0.00 0.01 0.00 0.00 72.50 68.52 2cas s THR 425 CO 0.58 0.23 0.51 -3.20 -0.69 0.00 0.00 174.62 172.04 2cas n ASN 426 N 4.71 0.03 -2.01 3.53 5.15 -1.26 0.21 115.26 125.62 2cas n ASN 426 Ca -0.08 0.38 -0.24 0.00 -0.60 0.00 0.00 54.58 54.04 2cas n ASN 426 Cb 0.51 -0.19 0.12 0.00 -0.53 0.00 0.00 39.78 39.69 2cas n ASN 426 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2cas n ASP 427 N -2.91 5.12 -0.27 1.20 5.68 -1.26 -3.92 116.55 120.19 2cas n ASP 427 Ca 0.14 -3.74 0.01 0.00 -0.50 0.00 0.00 54.79 50.71 2cas n ASP 427 Cb 0.60 -0.78 0.02 0.00 -1.14 0.00 0.00 41.12 39.83 2cas n ASP 427 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2cas n ASN 428 N -1.00 0.49 -3.92 -1.12 4.13 0.56 -4.98 115.26 109.42 2cas n ASN 428 Ca 0.53 -1.90 -0.10 0.00 1.68 0.00 0.00 54.58 54.78 2cas n ASN 428 Cb 1.06 -0.17 -0.12 0.00 -1.54 0.00 0.00 39.78 39.01 2cas n ASN 428 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2cas s VAL 429 N -0.49 0.06 -0.20 2.41 1.01 -1.24 -0.56 120.40 121.39 2cas s VAL 429 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2cas s VAL 429 Cb 0.04 -0.20 0.05 0.00 0.00 0.00 0.00 36.38 36.27 2cas s VAL 429 CO 0.00 -0.30 -0.08 -0.22 0.00 0.00 0.00 175.10 174.51 2cas s LEU 430 N -0.88 2.15 0.11 3.92 2.96 -0.78 -4.93 118.68 121.23 2cas s LEU 430 Ca -0.10 -0.89 0.05 0.00 -0.22 0.00 0.00 54.13 52.98 2cas s LEU 430 Cb -0.06 -1.13 -0.04 0.00 0.50 0.00 0.00 46.19 45.46 2cas s LEU 430 CO -0.00 -0.17 0.01 -0.76 -1.32 0.00 0.00 176.35 174.10 2cas s LEU 431 N 1.46 3.47 0.00 -0.68 1.43 -1.26 -1.88 118.68 121.22 2cas s LEU 431 Ca -0.02 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2cas s LEU 431 Cb -0.16 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.88 2cas s LEU 431 CO -0.08 0.15 0.53 -2.65 0.23 0.00 0.00 176.35 174.54 2cas n PRO 432 N 0.37 0.00 -0.03 1.29 -0.02 -1.26 0.17 135.00 135.52 2cas n PRO 432 Ca -0.10 0.11 -0.02 0.00 -2.02 0.00 0.00 63.50 61.47 2cas n PRO 432 Cb 0.53 -1.53 -0.14 0.00 -0.02 0.00 0.00 33.50 32.34 2cas n PRO 432 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2cas n THR 433 N -1.03 1.00 -3.02 3.45 -1.04 -1.26 -4.70 114.28 107.67 2cas n THR 433 Ca 0.00 -0.71 -0.35 0.00 -2.04 0.00 0.00 64.05 60.95 2cas n THR 433 Cb 0.03 -0.47 -0.06 0.00 -1.82 0.00 0.00 70.33 68.01 2cas n THR 433 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2cas s ASP 434 N -5.38 6.98 0.16 8.00 1.01 0.13 -5.04 116.67 122.54 2cas s ASP 434 Ca -0.07 1.47 -0.16 0.00 0.71 0.00 0.00 52.55 54.51 2cas s ASP 434 Cb 0.09 -2.45 -0.07 0.00 1.01 0.00 0.00 42.92 41.50 2cas s ASP 434 CO 0.84 -0.12 0.59 -2.84 0.21 0.00 0.00 175.17 173.85 2cas s PRO 435 N -2.51 4.04 -0.09 8.23 0.02 -1.26 -4.46 135.00 138.97 2cas s PRO 435 Ca 0.51 0.58 -0.02 0.00 0.02 0.00 0.00 61.00 62.09 2cas s PRO 435 Cb -0.14 -2.92 -0.03 0.00 0.02 0.00 0.00 34.50 31.43 2cas s PRO 435 CO 0.19 0.46 0.01 0.42 -0.33 0.00 0.00 177.00 177.75 2cas s ILE 436 N -1.48 4.39 -1.26 2.83 -1.09 -1.09 -4.35 121.20 119.15 2cas s ILE 436 Ca 0.39 -0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 2cas s ILE 436 Cb -0.15 -2.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 2cas s ILE 436 CO 0.19 0.60 0.00 0.61 -1.23 0.00 0.00 174.94 175.12 2cas n GLY 437 N 2.17 1.15 2.72 6.18 0.00 -1.26 -0.32 105.19 115.83 2cas n GLY 437 Ca -0.19 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2cas n GLY 437 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cas n GLY 438 N 0.05 0.52 3.76 -0.02 0.00 -1.26 -4.98 105.19 103.26 2cas n GLY 438 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 2cas n GLY 438 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cas s LYS 439 N -0.44 4.48 0.11 1.61 -0.14 0.57 -4.93 119.74 120.99 2cas s LYS 439 Ca 0.00 1.03 0.25 0.00 -1.36 0.00 0.00 55.97 55.90 2cas s LYS 439 Cb 0.00 -3.32 0.58 0.00 -1.68 0.00 0.00 37.83 33.41 2cas s LYS 439 CO 0.00 0.40 1.52 0.25 -0.76 0.00 0.00 175.35 176.76 2cas n THR 440 N 2.36 0.32 -1.00 2.17 -2.24 -1.26 -3.66 114.28 110.97 2cas n THR 440 Ca -0.04 -0.20 0.06 0.00 -2.27 0.00 0.00 64.05 61.59 2cas n THR 440 Cb 0.50 -0.22 0.31 0.00 -2.10 0.00 0.00 70.33 68.81 2cas n THR 440 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cas n GLY 441 N 1.37 3.73 2.94 3.38 0.00 -1.26 -4.86 105.19 110.50 2cas n GLY 441 Ca 0.05 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.87 2cas n GLY 441 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cas s ILE 442 N -2.86 0.50 0.20 -0.61 -1.09 -1.25 -5.12 121.20 110.96 2cas s ILE 442 Ca 0.48 -0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 2cas s ILE 442 Cb 0.38 -0.46 -0.04 0.00 -1.58 0.00 0.00 42.46 40.76 2cas s ILE 442 CO 0.11 0.17 0.08 0.54 -1.23 0.00 0.00 174.94 174.61 2cas s ASN 443 N 0.25 0.67 0.60 3.58 4.22 -1.26 -2.67 114.94 120.33 2cas s ASN 443 Ca -0.03 -1.31 0.30 0.00 -2.14 0.00 0.00 52.86 49.68 2cas s ASN 443 Cb -0.07 0.25 1.68 0.00 1.28 0.00 0.00 41.25 44.40 2cas s ASN 443 CO -0.00 -0.74 2.07 0.10 -2.04 0.00 0.00 177.10 176.49 2cas h TYR 444 N 2.62 0.00 -0.13 1.54 -0.00 -1.85 -1.53 116.97 117.62 2cas h TYR 444 Ca -0.37 0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 58.30 2cas h TYR 444 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.95 2cas h TYR 444 CO 0.43 0.00 -0.23 1.79 -0.00 0.00 0.00 178.16 180.15 2cas h THR 445 N 0.00 1.22 0.00 -0.90 1.35 -1.92 -1.51 112.91 111.15 2cas h THR 445 Ca 0.09 -1.03 -0.01 0.00 -0.55 0.00 0.00 66.41 64.90 2cas h THR 445 Cb 0.57 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2cas h THR 445 CO -0.00 0.31 -0.07 0.78 -0.25 0.00 0.00 175.52 176.29 2cas h ASN 446 N 0.21 0.00 -0.01 5.36 2.35 -1.56 -2.76 115.58 119.17 2cas h ASN 446 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2cas h ASN 446 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2cas h ASN 446 CO 0.04 0.07 -0.38 2.30 -1.65 0.00 0.00 177.43 177.81 2cas n ILE 447 N -3.37 0.00 -1.77 2.81 -5.35 -0.81 -1.28 119.36 109.58 2cas n ILE 447 Ca -0.01 -0.31 -0.40 0.00 -0.27 0.00 0.00 62.75 61.76 2cas n ILE 447 Cb 0.23 1.11 0.02 0.00 -1.74 0.00 0.00 39.64 39.26 2cas n ILE 447 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 2cas s PHE 448 N -1.83 2.41 -0.22 4.28 5.36 -0.64 -4.52 117.98 122.82 2cas s PHE 448 Ca 0.09 1.26 -0.04 0.00 -0.96 0.00 0.00 56.93 57.29 2cas s PHE 448 Cb 0.10 -3.93 0.11 0.00 -0.34 0.00 0.00 43.02 38.97 2cas s PHE 448 CO 0.39 -3.01 0.35 1.21 -1.46 0.00 0.00 175.22 172.70 2cas s ASN 449 N -0.54 0.34 -0.32 6.13 3.84 -1.25 -1.24 114.94 121.90 2cas s ASN 449 Ca 0.63 0.32 0.07 0.00 0.21 0.00 0.00 52.86 54.09 2cas s ASN 449 Cb -0.44 1.00 0.46 0.00 -0.55 0.00 0.00 41.25 41.72 2cas s ASN 449 CO 0.56 -0.29 1.35 0.35 -2.79 0.00 0.00 177.10 176.29 2cas n THR 450 N 5.36 2.62 -2.90 -5.21 -2.24 0.95 -4.92 114.28 107.94 2cas n THR 450 Ca -0.05 -3.61 -0.35 0.00 -2.27 0.00 0.00 64.05 57.78 2cas n THR 450 Cb 0.50 -0.82 -0.07 0.00 -2.10 0.00 0.00 70.33 67.84 2cas n THR 450 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2cas s TYR 451 N -3.50 3.52 0.02 4.78 5.04 -1.26 -4.36 117.35 121.60 2cas s TYR 451 Ca 0.49 1.58 -0.10 0.00 -2.44 0.00 0.00 57.07 56.61 2cas s TYR 451 Cb 0.42 -2.79 0.03 0.00 0.35 0.00 0.00 41.96 39.97 2cas s TYR 451 CO 0.01 0.11 0.44 0.41 -1.34 0.00 0.00 175.55 175.18 2cas n GLY 452 N 0.07 0.71 0.00 8.97 0.00 -1.26 -5.01 105.19 108.68 2cas n GLY 452 Ca 0.03 -0.95 0.02 0.00 0.00 0.00 0.00 46.02 45.12 2cas n GLY 452 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cas n PRO 453 N -0.31 0.04 -0.13 1.61 -0.04 -1.26 -2.19 135.00 132.71 2cas n PRO 453 Ca 0.01 0.32 0.08 0.00 -0.04 0.00 0.00 63.50 63.86 2cas n PRO 453 Cb 0.22 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.32 2cas n PRO 453 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2cas n LEU 454 N -1.37 2.81 -4.72 1.53 4.77 -1.26 -5.00 117.00 113.76 2cas n LEU 454 Ca 0.02 -1.52 -0.42 0.00 -0.03 0.00 0.00 56.01 54.06 2cas n LEU 454 Cb 0.04 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 2cas n LEU 454 CO 0.03 0.63 0.95 -0.89 -1.33 0.00 0.00 177.39 176.78 2cas s THR 455 N -1.14 3.57 -0.08 -5.08 2.01 -0.93 -0.61 115.64 113.38 2cas s THR 455 Ca 0.26 1.20 0.03 0.00 0.31 0.00 0.00 61.69 63.49 2cas s THR 455 Cb 0.15 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.90 2cas s THR 455 CO 0.21 0.14 -0.17 0.00 -0.69 0.00 0.00 174.62 174.10 2cas s ALA 456 N 0.60 1.62 0.28 7.40 0.00 0.31 -4.94 121.76 127.03 2cas s ALA 456 Ca 0.58 -0.64 -0.05 0.00 0.00 0.00 0.00 51.96 51.86 2cas s ALA 456 Cb -0.33 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 2cas s ALA 456 CO 0.33 0.19 0.40 -0.48 0.00 0.00 0.00 175.76 176.20 2cas s LEU 457 N 0.52 0.85 0.21 0.00 2.34 -1.26 -0.16 118.68 121.17 2cas s LEU 457 Ca -0.16 -1.30 0.11 0.00 0.06 0.00 0.00 54.13 52.84 2cas s LEU 457 Cb -0.17 1.31 -0.05 0.00 -0.56 0.00 0.00 46.19 46.73 2cas s LEU 457 CO 0.06 -1.15 -0.22 0.20 -1.06 0.00 0.00 176.35 174.18 2cas s ASN 458 N -3.16 3.34 1.01 1.48 0.01 -1.26 -5.05 114.94 111.32 2cas s ASN 458 Ca 0.30 -0.90 -0.12 0.00 -0.71 0.00 0.00 52.86 51.42 2cas s ASN 458 Cb 0.01 -0.25 0.19 0.00 0.41 0.00 0.00 41.25 41.62 2cas s ASN 458 CO 0.15 0.08 1.08 0.21 -1.51 0.00 0.00 177.10 177.11 2cas s ASN 459 N -2.86 2.47 0.34 -1.22 3.04 -1.26 -4.96 114.94 110.49 2cas s ASN 459 Ca 0.22 1.33 -0.29 0.00 0.04 0.00 0.00 52.86 54.17 2cas s ASN 459 Cb -0.07 -2.02 -0.11 0.00 -1.54 0.00 0.00 41.25 37.52 2cas s ASN 459 CO 0.10 -3.24 1.40 -0.69 -3.04 0.00 0.00 177.10 171.63 2cas s VAL 460 N -2.86 2.43 0.52 -5.21 1.01 -1.26 -5.03 120.40 110.01 2cas s VAL 460 Ca 0.66 0.43 -0.10 0.00 0.00 0.00 0.00 61.98 62.96 2cas s VAL 460 Cb -0.20 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 2cas s VAL 460 CO 0.59 0.10 0.91 -2.16 0.00 0.00 0.00 175.10 174.53 2cas s PRO 461 N -1.74 3.68 0.26 2.72 0.04 -1.26 -4.52 135.00 134.18 2cas s PRO 461 Ca 0.52 0.59 -0.30 0.00 0.04 0.00 0.00 61.00 61.85 2cas s PRO 461 Cb -0.43 -2.23 -0.10 0.00 0.04 0.00 0.00 34.50 31.79 2cas s PRO 461 CO 0.56 -0.32 1.30 -2.14 0.04 0.00 0.00 177.00 176.44 2cas s PRO 462 N -4.61 4.39 -0.48 0.56 0.02 -1.26 -4.86 135.00 128.76 2cas s PRO 462 Ca 0.53 2.11 -0.07 0.00 0.02 0.00 0.00 61.00 63.59 2cas s PRO 462 Cb -0.10 -3.14 0.12 0.00 0.02 0.00 0.00 34.50 31.40 2cas s PRO 462 CO 0.43 -0.20 0.33 0.08 -0.33 0.00 0.00 177.00 177.32 2cas s VAL 463 N -0.48 3.97 -0.14 3.83 1.01 -1.26 -4.30 120.40 123.03 2cas s VAL 463 Ca 0.53 -1.99 -0.21 0.00 0.00 0.00 0.00 61.98 60.30 2cas s VAL 463 Cb -0.38 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 2cas s VAL 463 CO 0.44 -0.77 0.63 -0.47 0.00 0.00 0.00 175.10 174.93 2cas s TYR 464 N 1.13 3.46 -1.54 5.22 6.14 -1.26 0.62 117.35 131.12 2cas s TYR 464 Ca 0.08 1.03 0.17 0.00 0.64 0.00 0.00 57.07 58.98 2cas s TYR 464 Cb -0.24 -2.76 0.00 0.00 0.42 0.00 0.00 41.96 39.38 2cas s TYR 464 CO -0.02 -0.04 0.88 -0.35 0.64 0.00 0.00 175.55 176.66 2cas n PRO 465 N 4.44 1.63 0.05 4.97 -0.04 -1.26 -1.77 135.00 143.01 2cas n PRO 465 Ca -0.02 -0.85 0.13 0.00 -0.04 0.00 0.00 63.50 62.72 2cas n PRO 465 Cb 0.50 -1.29 0.52 0.00 -0.04 0.00 0.00 33.50 33.19 2cas n PRO 465 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2cas n ASN 466 N -0.07 0.34 -4.83 3.54 3.02 -1.18 -1.34 115.26 114.74 2cas n ASN 466 Ca 0.07 0.54 -0.32 0.00 -0.03 0.00 0.00 54.58 54.83 2cas n ASN 466 Cb 0.35 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 2cas n ASN 466 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2cas s GLY 467 N -3.24 2.09 0.44 7.41 0.00 0.20 -4.87 107.32 109.35 2cas s GLY 467 Ca 0.12 0.23 -0.22 0.00 0.00 0.00 0.00 44.72 44.85 2cas s GLY 467 CO 0.54 0.51 1.00 1.62 0.00 0.00 0.00 173.10 176.77 2cas s GLN 468 N -4.03 4.09 -0.16 2.90 0.74 -1.26 -1.79 119.66 120.16 2cas s GLN 468 Ca 0.60 1.28 -0.13 0.00 0.05 0.00 0.00 55.36 57.16 2cas s GLN 468 Cb -0.11 -2.25 -0.08 0.00 1.10 0.00 0.00 33.01 31.67 2cas s GLN 468 CO 0.31 -0.17 -0.04 0.82 -0.55 0.00 0.00 175.29 175.67 2cas h ILE 469 N 1.88 0.30 -2.75 -2.34 2.04 -1.87 -3.42 117.51 111.35 2cas h ILE 469 Ca -0.49 -1.37 -0.51 0.00 1.00 0.00 0.00 64.86 63.49 2cas h ILE 469 Cb 1.20 0.72 -0.15 0.00 -0.74 0.00 0.00 36.82 37.85 2cas h ILE 469 CO 0.61 0.10 -0.75 -1.66 0.00 0.00 0.00 178.15 176.45 2cas s TRP 470 N -2.24 1.91 -0.02 1.37 -2.14 -1.26 -2.71 118.94 113.86 2cas s TRP 470 Ca -0.18 -0.48 -0.07 0.00 2.66 0.00 0.00 56.10 58.03 2cas s TRP 470 Cb 0.03 -0.88 0.01 0.00 -3.10 0.00 0.00 33.47 29.53 2cas s TRP 470 CO 0.32 0.46 0.15 0.34 -2.66 0.00 0.00 176.95 175.57 2cas s ASP 471 N -3.26 -0.04 0.01 -2.66 2.15 0.37 -4.96 116.67 108.28 2cas s ASP 471 Ca 0.24 -0.04 -0.30 0.00 0.43 0.00 0.00 52.55 52.88 2cas s ASP 471 Cb -0.03 0.25 -0.04 0.00 -0.30 0.00 0.00 42.92 42.80 2cas s ASP 471 CO 0.09 -0.28 1.10 -0.75 -0.17 0.00 0.00 175.17 175.16 2cas s LYS 472 N -0.95 4.47 0.80 4.34 2.20 -1.26 0.51 119.74 129.86 2cas s LYS 472 Ca -0.10 1.59 -0.11 0.00 -0.36 0.00 0.00 55.97 56.99 2cas s LYS 472 Cb -0.06 -3.43 0.08 0.00 -1.51 0.00 0.00 37.83 32.91 2cas s LYS 472 CO 0.01 -0.20 1.09 -2.00 -0.36 0.00 0.00 175.35 173.90 2cas s GLU 473 N 1.24 1.99 0.24 4.03 2.56 -1.09 -4.89 118.70 122.79 2cas s GLU 473 Ca 0.55 1.13 -0.30 0.00 0.00 0.00 0.00 54.97 56.35 2cas s GLU 473 Cb -0.25 -1.87 -0.09 0.00 2.00 0.00 0.00 34.13 33.93 2cas s GLU 473 CO 0.27 -1.82 1.07 -0.06 -0.56 0.00 0.00 175.26 174.16 2cas s PHE 474 N -2.89 3.66 -1.19 5.30 0.08 -1.26 -4.93 117.98 116.74 2cas s PHE 474 Ca 0.62 1.71 -0.06 0.00 0.12 0.00 0.00 56.93 59.31 2cas s PHE 474 Cb -0.18 -3.23 0.22 0.00 -0.57 0.00 0.00 43.02 39.27 2cas s PHE 474 CO 0.56 -0.38 1.80 -3.47 -0.10 0.00 0.00 175.22 173.63 2cas n ASP 475 N 1.64 6.12 -4.39 1.36 2.03 -1.26 -4.90 116.55 117.14 2cas n ASP 475 Ca -0.00 -3.27 -0.30 0.00 0.52 0.00 0.00 54.79 51.74 2cas n ASP 475 Cb 0.46 -1.36 -0.14 0.00 -0.72 0.00 0.00 41.12 39.36 2cas n ASP 475 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2cas s THR 476 N -1.34 2.36 0.08 5.18 2.01 -1.26 -5.08 115.64 117.60 2cas s THR 476 Ca 0.38 -1.42 -0.32 0.00 0.31 0.00 0.00 61.69 60.64 2cas s THR 476 Cb 0.10 -1.98 -0.16 0.00 0.01 0.00 0.00 72.50 70.48 2cas s THR 476 CO 0.02 0.29 1.61 0.44 -0.69 0.00 0.00 174.62 176.29 2cas h ASP 477 N 4.49 -0.91 -3.51 3.53 3.32 -2.06 -3.39 116.42 117.89 2cas h ASP 477 Ca -0.48 0.06 -0.61 0.00 0.02 0.00 0.00 57.03 56.02 2cas h ASP 477 Cb 1.15 0.28 -0.13 0.00 0.22 0.00 0.00 39.33 40.86 2cas h ASP 477 CO 0.44 -0.54 -0.34 -0.76 -1.72 0.00 0.00 179.24 176.32 2cas s LEU 478 N -10.13 4.14 0.29 1.55 1.43 -1.26 -5.11 118.68 109.60 2cas s LEU 478 Ca -0.17 0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.33 2cas s LEU 478 Cb 0.05 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 2cas s LEU 478 CO 0.62 -0.00 0.37 -0.54 0.23 0.00 0.00 176.35 177.03 2cas s LYS 479 N 1.14 3.14 0.33 1.70 1.02 -1.26 -5.08 119.74 120.73 2cas s LYS 479 Ca 0.14 -0.98 -0.28 0.00 0.02 0.00 0.00 55.97 54.87 2cas s LYS 479 Cb -0.14 -2.75 -0.10 0.00 -0.52 0.00 0.00 37.83 34.32 2cas s LYS 479 CO 0.06 0.24 1.25 -1.25 -0.92 0.00 0.00 175.35 174.73 2cas s PRO 480 N -4.03 4.38 0.58 -1.68 0.04 -1.26 -4.92 135.00 128.10 2cas s PRO 480 Ca 0.39 2.09 0.33 0.00 0.04 0.00 0.00 61.00 63.84 2cas s PRO 480 Cb -0.09 -3.05 1.77 0.00 0.04 0.00 0.00 34.50 33.17 2cas s PRO 480 CO 0.29 -0.12 2.18 0.00 0.04 0.00 0.00 177.00 179.39 2cas h ARG 481 N 3.38 0.00 0.00 4.56 3.08 -2.06 -3.45 114.38 119.88 2cas h ARG 481 Ca -0.48 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.44 2cas h ARG 481 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 2cas h ARG 481 CO 0.65 0.05 0.10 1.47 -1.07 0.00 0.00 179.97 181.18 2cas n LEU 482 N -3.50 0.00 -3.96 3.04 -0.00 -1.26 -5.04 117.00 106.27 2cas n LEU 482 Ca -0.02 -2.56 -0.22 0.00 -0.00 0.00 0.00 56.01 53.21 2cas n LEU 482 Cb 0.17 3.17 -0.16 0.00 -0.00 0.00 0.00 43.42 46.59 2cas n LEU 482 CO 0.27 -0.74 -0.44 -1.00 -0.00 0.00 0.00 177.39 175.48 2cas s HIS 483 N -2.73 1.10 -1.75 1.47 3.76 -1.26 -5.04 115.29 110.84 2cas s HIS 483 Ca 0.20 -0.36 0.30 0.00 -0.15 0.00 0.00 55.06 55.05 2cas s HIS 483 Cb -0.03 -0.85 1.49 0.00 1.11 0.00 0.00 32.58 34.30 2cas s HIS 483 CO 0.15 -0.22 2.01 1.33 -0.85 0.00 0.00 174.74 177.16 2cas n VAL 484 N 3.86 0.00 0.66 -0.90 0.24 -1.26 -3.98 118.33 116.95 2cas n VAL 484 Ca -0.24 -0.04 0.07 0.00 -2.04 0.00 0.00 64.34 62.09 2cas n VAL 484 Cb 0.51 -0.28 -0.08 0.00 -1.47 0.00 0.00 33.84 32.52 2cas n VAL 484 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2cas n ASN 485 N -0.98 0.71 -3.70 -1.34 2.04 -1.26 -5.00 115.26 105.73 2cas n ASN 485 Ca 0.17 -0.82 -0.13 0.00 -0.44 0.00 0.00 54.58 53.37 2cas n ASN 485 Cb 0.23 1.02 -0.09 0.00 -2.53 0.00 0.00 39.78 38.41 2cas n ASN 485 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2cas s ALA 486 N -2.39 -1.25 -0.37 -2.53 0.00 -1.26 -4.01 121.76 109.95 2cas s ALA 486 Ca 0.05 1.43 0.27 0.00 0.00 0.00 0.00 51.96 53.71 2cas s ALA 486 Cb 0.11 -0.83 0.81 0.00 0.00 0.00 0.00 23.12 23.21 2cas s ALA 486 CO 0.60 -0.24 1.76 -1.00 0.00 0.00 0.00 175.76 176.88 2cas h PRO 487 N 5.40 0.00 -4.87 0.00 0.13 -1.79 -3.42 132.00 127.45 2cas h PRO 487 Ca -0.28 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.18 2cas h PRO 487 Cb 1.18 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.97 2cas h PRO 487 CO 0.19 0.00 -0.75 -0.06 -0.23 0.00 0.00 178.00 177.15 2cas s PHE 488 N -3.32 3.14 -0.23 1.56 0.08 -1.10 -4.87 117.98 113.25 2cas s PHE 488 Ca 0.06 -1.80 -0.06 0.00 0.12 0.00 0.00 56.93 55.25 2cas s PHE 488 Cb 0.08 -2.04 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 2cas s PHE 488 CO 0.58 -0.78 0.04 0.08 -0.10 0.00 0.00 175.22 175.04 2cas s VAL 489 N 1.26 4.19 -0.15 -0.44 1.01 -1.26 -0.48 120.40 124.53 2cas s VAL 489 Ca -0.03 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 2cas s VAL 489 Cb -0.18 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 2cas s VAL 489 CO -0.04 0.38 0.44 0.00 0.00 0.00 0.00 175.10 175.89 2cas n GLN 491 N 3.96 0.00 -0.30 0.00 0.00 -1.25 -2.65 117.38 117.14 2cas n GLN 491 Ca -0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 57.00 56.89 2cas n GLN 491 Cb 0.51 -0.18 0.12 0.00 0.00 0.00 0.00 30.24 30.69 2cas n GLN 491 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 2cas h ASN 492 N 0.00 1.06 -3.49 1.69 2.35 -1.94 -3.44 115.58 111.81 2cas h ASN 492 Ca 0.00 -0.10 -0.16 0.00 -0.55 0.00 0.00 56.30 55.50 2cas h ASN 492 Cb 0.00 -0.27 -0.27 0.00 0.05 0.00 0.00 38.32 37.83 2cas h ASN 492 CO 0.00 0.86 -0.39 0.54 -1.65 0.00 0.00 177.43 176.79 2cas s ASN 493 N -6.30 -0.35 0.23 5.81 6.03 -1.26 -5.13 114.94 113.96 2cas s ASN 493 Ca -0.12 0.66 0.11 0.00 -1.03 0.00 0.00 52.86 52.48 2cas s ASN 493 Cb 0.17 0.59 -0.05 0.00 -3.03 0.00 0.00 41.25 38.93 2cas s ASN 493 CO 0.82 -0.15 -0.20 0.00 -2.03 0.00 0.00 177.10 175.54 2cas s PRO 495 N -3.20 3.55 0.72 0.00 0.02 -1.26 -4.92 135.00 129.91 2cas s PRO 495 Ca 0.24 2.11 -0.11 0.00 0.02 0.00 0.00 61.00 63.26 2cas s PRO 495 Cb -0.05 -2.45 0.03 0.00 0.02 0.00 0.00 34.50 32.04 2cas s PRO 495 CO 0.11 -0.82 1.10 0.20 -0.33 0.00 0.00 177.00 177.26 2cas s GLY 496 N -0.98 1.62 0.52 0.52 0.00 -1.26 -4.98 107.32 102.76 2cas s GLY 496 Ca 0.65 -0.43 -0.14 0.00 0.00 0.00 0.00 44.72 44.80 2cas s GLY 496 CO 0.45 -0.05 0.96 1.20 0.00 0.00 0.00 173.10 175.66 2cas s GLN 497 N -5.37 3.84 -0.22 2.90 -0.21 -1.24 -4.77 119.66 114.59 2cas s GLN 497 Ca 0.59 0.82 -0.04 0.00 0.02 0.00 0.00 55.36 56.74 2cas s GLN 497 Cb -0.11 -2.17 -0.01 0.00 1.00 0.00 0.00 33.01 31.72 2cas s GLN 497 CO 0.51 -0.29 -0.03 -1.17 -2.12 0.00 0.00 175.29 172.18 2cas s LEU 498 N -4.28 2.94 -0.05 2.90 2.96 -1.26 -0.93 118.68 120.96 2cas s LEU 498 Ca 0.57 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 54.14 2cas s LEU 498 Cb -0.10 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 2cas s LEU 498 CO 0.36 -0.02 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.87 2cas s PHE 499 N 1.47 2.69 0.08 5.38 0.08 0.33 -0.90 117.98 127.12 2cas s PHE 499 Ca 0.06 -0.17 0.05 0.00 0.12 0.00 0.00 56.93 56.99 2cas s PHE 499 Cb -0.14 -1.63 -0.03 0.00 -0.57 0.00 0.00 43.02 40.65 2cas s PHE 499 CO -0.03 0.18 -0.13 0.08 -0.10 0.00 0.00 175.22 175.22 2cas s VAL 500 N -0.71 1.09 -0.27 -0.44 1.01 -0.14 0.04 120.40 120.98 2cas s VAL 500 Ca 0.11 -1.43 -0.25 0.00 0.00 0.00 0.00 61.98 60.41 2cas s VAL 500 Cb -0.11 -1.18 0.11 0.00 0.00 0.00 0.00 36.38 35.21 2cas s VAL 500 CO 0.01 -0.33 0.96 -0.75 0.00 0.00 0.00 175.10 174.99 2cas s LYS 501 N -2.08 0.59 -0.02 2.72 2.20 0.23 -0.98 119.74 122.40 2cas s LYS 501 Ca 0.01 0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 55.97 2cas s LYS 501 Cb -0.08 0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.48 2cas s LYS 501 CO 0.02 -0.08 1.27 0.08 -0.36 0.00 0.00 175.35 176.27 2cas s VAL 502 N 0.16 4.04 0.71 4.02 1.01 -1.26 0.17 120.40 129.25 2cas s VAL 502 Ca 0.02 1.40 -0.13 0.00 0.00 0.00 0.00 61.98 63.27 2cas s VAL 502 Cb -0.05 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.46 2cas s VAL 502 CO -0.04 0.02 1.10 0.00 0.00 0.00 0.00 175.10 176.18 2cas s ALA 503 N 2.09 2.38 -0.01 5.51 0.00 -0.83 -4.86 121.76 126.03 2cas s ALA 503 Ca 0.59 0.42 -0.33 0.00 0.00 0.00 0.00 51.96 52.64 2cas s ALA 503 Cb -0.28 -3.30 -0.11 0.00 0.00 0.00 0.00 23.12 19.43 2cas s ALA 503 CO 0.24 -1.49 1.86 -2.30 0.00 0.00 0.00 175.76 174.08 2cas n PRO 504 N -2.90 2.40 -3.48 0.00 -0.02 -1.26 -4.90 135.00 124.85 2cas n PRO 504 Ca 0.10 0.88 -0.41 0.00 -2.02 0.00 0.00 63.50 62.04 2cas n PRO 504 Cb 0.52 -2.74 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 2cas n PRO 504 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2cas s ASN 505 N 3.66 6.60 0.84 2.55 3.04 -1.26 -5.05 114.94 125.31 2cas s ASN 505 Ca 0.89 -3.45 -0.11 0.00 0.04 0.00 0.00 52.86 50.24 2cas s ASN 505 Cb -0.61 -2.07 0.10 0.00 -1.54 0.00 0.00 41.25 37.13 2cas s ASN 505 CO 0.46 -0.30 1.13 -0.76 -3.04 0.00 0.00 177.10 174.60 2cas s LEU 506 N -0.98 2.97 0.00 3.21 1.43 -1.26 0.15 118.68 124.19 2cas s LEU 506 Ca 0.26 2.06 0.04 0.00 -1.03 0.00 0.00 54.13 55.47 2cas s LEU 506 Cb -0.10 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.61 2cas s LEU 506 CO -0.09 -2.61 0.35 0.35 0.23 0.00 0.00 176.35 174.58 2cas n THR 507 N -3.81 0.00 -0.20 5.49 -2.24 -1.22 -4.65 114.28 107.66 2cas n THR 507 Ca 0.11 -1.01 -0.08 0.00 -2.27 0.00 0.00 64.05 60.81 2cas n THR 507 Cb 0.52 -0.63 0.02 0.00 -2.10 0.00 0.00 70.33 68.15 2cas n THR 507 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2cas h ASN 508 N 0.12 0.75 -3.11 3.42 -1.07 -1.97 -3.40 115.58 110.32 2cas h ASN 508 Ca -0.15 -0.16 -0.58 0.00 0.07 0.00 0.00 56.30 55.49 2cas h ASN 508 Cb 0.63 -0.19 -0.06 0.00 -2.07 0.00 0.00 38.32 36.63 2cas h ASN 508 CO 0.22 0.70 0.77 -1.61 0.07 0.00 0.00 177.43 177.57 2cas s GLU 509 N -5.61 4.28 -0.23 4.14 8.01 -1.26 -5.03 118.70 122.99 2cas s GLU 509 Ca -0.13 1.36 -0.06 0.00 0.01 0.00 0.00 54.97 56.15 2cas s GLU 509 Cb 0.12 -3.63 0.12 0.00 -4.31 0.00 0.00 34.13 26.43 2cas s GLU 509 CO 0.78 -0.59 0.46 -0.47 0.01 0.00 0.00 175.26 175.46 2cas s TYR 510 N 3.04 -0.96 -0.24 1.61 5.04 -1.26 -4.78 117.35 119.79 2cas s TYR 510 Ca 0.44 1.51 0.01 0.00 -2.44 0.00 0.00 57.07 56.59 2cas s TYR 510 Cb -0.15 0.34 0.07 0.00 0.35 0.00 0.00 41.96 42.56 2cas s TYR 510 CO 0.08 -0.60 -0.03 0.34 -1.34 0.00 0.00 175.55 173.99 2cas s ASP 511 N 2.67 3.85 0.52 4.32 2.15 -1.26 -4.96 116.67 123.95 2cas s ASP 511 Ca 0.03 -1.24 0.34 0.00 0.43 0.00 0.00 52.55 52.11 2cas s ASP 511 Cb -0.13 -1.14 1.65 0.00 -0.30 0.00 0.00 42.92 43.00 2cas s ASP 511 CO -0.15 -0.26 2.04 -0.65 -0.17 0.00 0.00 175.17 175.97 2cas h PRO 512 N 7.96 0.00 -0.64 4.34 0.11 -2.02 -1.84 132.00 139.92 2cas h PRO 512 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2cas h PRO 512 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2cas h PRO 512 CO 0.42 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.96 2cas n ASP 513 N -2.86 3.78 -4.76 -2.05 8.00 -1.26 -4.90 116.55 112.49 2cas n ASP 513 Ca -0.01 -2.18 -0.40 0.00 0.71 0.00 0.00 54.79 52.92 2cas n ASP 513 Cb 0.18 -0.48 -0.06 0.00 -0.02 0.00 0.00 41.12 40.75 2cas n ASP 513 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cas s ALA 514 N -1.45 3.41 -2.00 2.24 0.00 -0.69 -4.92 121.76 118.34 2cas s ALA 514 Ca 0.44 0.41 0.06 0.00 0.00 0.00 0.00 51.96 52.87 2cas s ALA 514 Cb 0.25 -3.03 0.38 0.00 0.00 0.00 0.00 23.12 20.72 2cas s ALA 514 CO 0.26 0.23 1.12 -1.13 0.00 0.00 0.00 175.76 176.23 2cas n SER 515 N 1.81 0.00 -2.81 0.00 3.41 -1.26 -4.77 113.62 109.99 2cas n SER 515 Ca -0.04 -1.53 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 2cas n SER 515 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 2cas n SER 515 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cas n ALA 516 N -0.61 0.00 -3.58 7.33 0.00 -1.26 -5.06 120.51 117.32 2cas n ALA 516 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 2cas n ALA 516 Cb 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.32 2cas n ALA 516 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2cas s ASN 517 N -1.00 3.76 0.07 0.00 0.02 -1.26 -5.07 114.94 111.46 2cas s ASN 517 Ca 0.00 -0.47 -0.37 0.00 -1.02 0.00 0.00 52.86 50.99 2cas s ASN 517 Cb 0.00 -1.60 -0.18 0.00 0.02 0.00 0.00 41.25 39.49 2cas s ASN 517 CO 0.00 0.04 1.19 0.80 0.02 0.00 0.00 177.10 179.16 2cas n MET 518 N 4.35 0.69 -3.70 -0.60 0.00 -1.26 -4.92 117.12 111.68 2cas n MET 518 Ca -0.19 0.25 -0.36 0.00 -0.00 0.00 0.00 57.70 57.39 2cas n MET 518 Cb 0.51 -1.80 -0.10 0.00 0.00 0.00 0.00 33.22 31.83 2cas n MET 518 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2cas s SER 519 N 0.20 5.95 0.17 6.12 0.15 -1.26 -5.06 113.70 119.97 2cas s SER 519 Ca 0.85 0.06 0.10 0.00 0.70 0.00 0.00 55.95 57.66 2cas s SER 519 Cb -1.06 -2.07 -0.04 0.00 -1.71 0.00 0.00 66.02 61.14 2cas s SER 519 CO 0.51 0.06 -0.19 -0.13 1.20 0.00 0.00 173.24 174.69 2cas s ARG 520 N 1.11 1.71 -0.01 5.44 0.52 -1.26 -3.41 118.95 123.05 2cas s ARG 520 Ca 0.07 -1.37 -0.30 0.00 -0.52 0.00 0.00 55.73 53.61 2cas s ARG 520 Cb -0.14 -1.99 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 2cas s ARG 520 CO 0.05 0.43 1.23 0.42 0.02 0.00 0.00 175.30 177.44 2cas s ILE 521 N -1.52 4.11 -0.47 1.52 1.01 0.12 -4.92 121.20 121.05 2cas s ILE 521 Ca 0.21 1.47 -0.27 0.00 0.00 0.00 0.00 60.65 62.06 2cas s ILE 521 Cb -0.09 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 2cas s ILE 521 CO 0.11 0.04 2.06 -0.69 0.00 0.00 0.00 174.94 176.45 2cas s VAL 522 N 1.86 3.23 0.12 2.92 1.01 -1.26 -4.72 120.40 123.57 2cas s VAL 522 Ca 0.58 0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.83 2cas s VAL 522 Cb -0.27 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2cas s VAL 522 CO 0.25 -0.42 -0.20 -0.89 0.00 0.00 0.00 175.10 173.84 2cas s THR 523 N 9.48 2.73 0.09 3.92 2.01 -1.26 -1.10 115.64 131.50 2cas s THR 523 Ca 0.83 -1.55 -0.15 0.00 0.31 0.00 0.00 61.69 61.13 2cas s THR 523 Cb -0.18 -2.24 0.03 0.00 0.01 0.00 0.00 72.50 70.11 2cas s THR 523 CO 0.27 0.10 0.37 -0.72 -0.69 0.00 0.00 174.62 173.95 2cas s TYR 524 N -1.12 -0.17 0.04 4.92 1.13 0.04 -2.89 117.35 119.29 2cas s TYR 524 Ca 0.17 -0.08 0.03 0.00 -1.41 0.00 0.00 57.07 55.79 2cas s TYR 524 Cb -0.10 0.20 -0.02 0.00 -1.10 0.00 0.00 41.96 40.93 2cas s TYR 524 CO 0.09 -0.63 -0.10 0.45 -2.51 0.00 0.00 175.55 172.85 2cas s SER 525 N -2.54 1.20 -0.04 -0.18 0.15 -0.40 -0.13 113.70 111.76 2cas s SER 525 Ca 0.00 -0.48 0.04 0.00 0.70 0.00 0.00 55.95 56.22 2cas s SER 525 Cb 0.01 -0.03 -0.00 0.00 -1.71 0.00 0.00 66.02 64.29 2cas s SER 525 CO -0.09 -0.08 -0.17 -1.81 1.20 0.00 0.00 173.24 172.29 2cas s ASP 526 N -1.31 2.15 0.13 5.45 1.01 0.98 -1.02 116.67 124.06 2cas s ASP 526 Ca -0.04 -0.35 -0.05 0.00 0.71 0.00 0.00 52.55 52.82 2cas s ASP 526 Cb -0.08 -0.57 -0.02 0.00 1.01 0.00 0.00 42.92 43.26 2cas s ASP 526 CO 0.01 0.16 0.16 0.72 0.21 0.00 0.00 175.17 176.43 2cas s PHE 527 N -0.00 0.52 -0.10 4.23 -0.71 -0.65 -0.21 117.98 121.05 2cas s PHE 527 Ca -0.03 -0.92 -0.04 0.00 -1.04 0.00 0.00 56.93 54.91 2cas s PHE 527 Cb -0.11 -0.23 -0.04 0.00 -1.21 0.00 0.00 43.02 41.43 2cas s PHE 527 CO 0.02 -0.58 0.05 -1.58 -1.34 0.00 0.00 175.22 171.78 2cas s TRP 528 N -3.97 3.30 -0.08 3.49 0.52 0.16 -0.47 118.94 121.89 2cas s TRP 528 Ca 0.16 0.29 0.03 0.00 0.02 0.00 0.00 56.10 56.59 2cas s TRP 528 Cb 0.05 -1.86 -0.02 0.00 -1.15 0.00 0.00 33.47 30.50 2cas s TRP 528 CO -0.03 0.53 -0.16 -0.46 0.02 0.00 0.00 176.95 176.85 2cas s TRP 529 N -0.84 2.69 -0.07 -1.98 -0.00 -0.01 -1.36 118.94 117.37 2cas s TRP 529 Ca 0.13 -0.47 0.01 0.00 -0.00 0.00 0.00 56.10 55.78 2cas s TRP 529 Cb -0.12 -1.70 0.02 0.00 -0.00 0.00 0.00 33.47 31.67 2cas s TRP 529 CO 0.03 -0.05 -0.08 0.21 -0.00 0.00 0.00 176.95 177.05 2cas s LYS 530 N -0.20 1.35 0.17 5.86 2.20 0.22 -1.44 119.74 127.90 2cas s LYS 530 Ca -0.00 -0.26 0.09 0.00 -0.36 0.00 0.00 55.97 55.43 2cas s LYS 530 Cb -0.13 -1.24 -0.04 0.00 -1.51 0.00 0.00 37.83 34.90 2cas s LYS 530 CO 0.03 -0.07 -0.18 0.20 -0.36 0.00 0.00 175.35 174.96 2cas s GLY 531 N 0.99 1.42 -0.19 5.54 0.00 -0.10 -0.23 107.32 114.74 2cas s GLY 531 Ca -0.09 -1.51 -0.05 0.00 0.00 0.00 0.00 44.72 43.07 2cas s GLY 531 CO 0.00 -1.56 0.10 1.25 0.00 0.00 0.00 173.10 172.89 2cas s LYS 532 N -2.83 0.09 -0.17 2.90 2.20 0.18 -1.15 119.74 120.96 2cas s LYS 532 Ca 0.16 -0.16 -0.04 0.00 -0.36 0.00 0.00 55.97 55.57 2cas s LYS 532 Cb -0.06 -1.69 -0.03 0.00 -1.51 0.00 0.00 37.83 34.55 2cas s LYS 532 CO 0.07 -0.74 -0.03 -1.17 -0.36 0.00 0.00 175.35 173.12 2cas s LEU 533 N 2.14 3.26 -0.09 5.43 2.96 -0.27 -1.63 118.68 130.48 2cas s LEU 533 Ca 0.03 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 2cas s LEU 533 Cb -0.16 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 2cas s LEU 533 CO -0.15 0.14 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.10 2cas s VAL 534 N 0.54 2.17 0.29 1.68 1.01 -0.76 -0.29 120.40 125.05 2cas s VAL 534 Ca -0.02 -1.00 0.11 0.00 0.00 0.00 0.00 61.98 61.07 2cas s VAL 534 Cb -0.14 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 2cas s VAL 534 CO 0.02 0.56 -0.15 -0.36 0.00 0.00 0.00 175.10 175.17 2cas s PHE 535 N 0.13 2.36 -0.07 5.22 0.40 -0.08 0.05 117.98 125.99 2cas s PHE 535 Ca -0.12 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 2cas s PHE 535 Cb -0.16 -1.09 0.02 0.00 0.51 0.00 0.00 43.02 42.30 2cas s PHE 535 CO 0.07 0.68 -0.06 0.21 0.70 0.00 0.00 175.22 176.82 2cas s LYS 536 N -3.55 1.14 0.28 0.44 2.20 0.85 -1.35 119.74 119.75 2cas s LYS 536 Ca 0.31 -0.15 0.06 0.00 -0.36 0.00 0.00 55.97 55.82 2cas s LYS 536 Cb -0.04 -1.19 -0.06 0.00 -1.51 0.00 0.00 37.83 35.03 2cas s LYS 536 CO 0.16 -0.17 -0.03 0.00 -0.36 0.00 0.00 175.35 174.94 2cas s ALA 537 N 1.36 2.25 -0.05 3.13 0.00 0.19 -0.46 121.76 128.18 2cas s ALA 537 Ca -0.03 -1.90 0.05 0.00 0.00 0.00 0.00 51.96 50.08 2cas s ALA 537 Cb -0.14 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 2cas s ALA 537 CO -0.03 -0.13 -0.20 0.21 0.00 0.00 0.00 175.76 175.61 2cas s LYS 538 N -3.77 2.46 0.26 0.00 2.20 -1.18 0.77 119.74 120.47 2cas s LYS 538 Ca 0.30 -0.81 -0.29 0.00 -0.36 0.00 0.00 55.97 54.81 2cas s LYS 538 Cb 0.05 -2.25 -0.09 0.00 -1.51 0.00 0.00 37.83 34.03 2cas s LYS 538 CO 0.12 0.52 0.94 -0.51 -0.36 0.00 0.00 175.35 176.07 2cas s LEU 539 N -0.50 4.59 0.64 5.43 1.43 -0.52 -1.08 118.68 128.69 2cas s LEU 539 Ca 0.06 1.94 -0.14 0.00 -1.03 0.00 0.00 54.13 54.97 2cas s LEU 539 Cb -0.11 -3.68 -0.01 0.00 0.03 0.00 0.00 46.19 42.41 2cas s LEU 539 CO 0.01 0.11 1.06 0.00 0.23 0.00 0.00 176.35 177.76 2cas s ARG 540 N -1.34 3.10 -0.04 1.70 1.70 -0.59 -4.68 118.95 118.80 2cas s ARG 540 Ca 0.43 1.11 0.03 0.00 -0.47 0.00 0.00 55.73 56.83 2cas s ARG 540 Cb -0.25 -2.01 0.00 0.00 -0.57 0.00 0.00 34.95 32.12 2cas s ARG 540 CO 0.31 -0.98 -0.14 0.00 -1.08 0.00 0.00 175.30 173.41 2cas s ALA 541 N -2.70 1.26 0.39 7.88 0.00 -1.26 -5.00 121.76 122.32 2cas s ALA 541 Ca 0.61 -0.54 -0.26 0.00 0.00 0.00 0.00 51.96 51.78 2cas s ALA 541 Cb -0.15 -0.44 -0.09 0.00 0.00 0.00 0.00 23.12 22.44 2cas s ALA 541 CO 0.45 0.22 1.19 0.45 0.00 0.00 0.00 175.76 178.07 2cas s SER 542 N 0.13 6.54 0.00 0.00 0.15 -1.26 -4.91 113.70 114.35 2cas s SER 542 Ca -0.04 2.40 0.00 0.00 0.70 0.00 0.00 55.95 59.01 2cas s SER 542 Cb -0.11 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2cas s SER 542 CO 0.02 -0.66 0.08 1.41 1.20 0.00 0.00 173.24 175.28 2cas n HIS 543 N 0.17 0.00 -4.48 3.44 8.25 -1.26 -5.07 115.22 116.27 2cas n HIS 543 Ca 0.04 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.24 2cas n HIS 543 Cb 0.46 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.47 2cas n HIS 543 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2cas s THR 544 N -0.05 2.39 0.16 1.59 -4.23 -1.26 -5.03 115.64 109.20 2cas s THR 544 Ca 0.00 -2.16 -0.08 0.00 -1.18 0.00 0.00 61.69 58.27 2cas s THR 544 Cb 0.00 -2.65 -0.07 0.00 1.34 0.00 0.00 72.50 71.12 2cas s THR 544 CO 0.00 -0.23 1.46 -0.25 -0.54 0.00 0.00 174.62 175.06 2cas h TRP 545 N 1.99 0.92 -3.89 3.99 2.91 -2.05 -3.45 115.95 116.37 2cas h TRP 545 Ca -0.42 -0.32 -0.47 0.00 1.13 0.00 0.00 58.89 58.81 2cas h TRP 545 Cb 1.25 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 29.70 2cas h TRP 545 CO 0.76 1.11 0.24 0.54 -1.03 0.00 0.00 178.44 180.06 2cas s ASN 546 N -6.93 6.93 0.85 2.65 4.22 -1.26 -5.07 114.94 116.32 2cas s ASN 546 Ca -0.09 1.55 -0.11 0.00 -2.14 0.00 0.00 52.86 52.06 2cas s ASN 546 Cb 0.11 -2.48 0.10 0.00 1.28 0.00 0.00 41.25 40.26 2cas s ASN 546 CO 0.87 -0.25 1.09 -2.16 -2.04 0.00 0.00 177.10 174.61 2cas s PRO 547 N -2.91 1.65 0.42 3.55 0.05 -1.26 -4.96 135.00 131.54 2cas s PRO 547 Ca 0.57 0.86 0.03 0.00 0.05 0.00 0.00 61.00 62.50 2cas s PRO 547 Cb -0.11 -1.85 -0.00 0.00 0.05 0.00 0.00 34.50 32.59 2cas s PRO 547 CO 0.16 -1.98 0.61 0.42 0.05 0.00 0.00 177.00 176.26 2cas s ILE 548 N -2.97 3.88 -0.32 0.56 -1.09 -1.26 -5.08 121.20 114.92 2cas s ILE 548 Ca 0.62 -0.69 -0.25 0.00 -2.23 0.00 0.00 60.65 58.10 2cas s ILE 548 Cb -0.17 -3.40 0.01 0.00 -1.58 0.00 0.00 42.46 37.32 2cas s ILE 548 CO 0.56 -0.24 0.86 -1.58 -1.23 0.00 0.00 174.94 173.32 2cas s GLN 549 N -4.44 3.96 0.14 2.79 0.74 -1.26 -5.06 119.66 116.53 2cas s GLN 549 Ca 0.48 0.68 0.07 0.00 0.05 0.00 0.00 55.36 56.64 2cas s GLN 549 Cb -0.10 -3.74 -0.04 0.00 1.10 0.00 0.00 33.01 30.23 2cas s GLN 549 CO 0.35 -0.75 -0.07 -0.65 -0.55 0.00 0.00 175.29 173.63 2cas s GLN 550 N 3.14 2.21 0.19 1.67 -1.52 -1.26 -4.31 119.66 119.79 2cas s GLN 550 Ca 0.35 -1.09 -0.30 0.00 -1.95 0.00 0.00 55.36 52.38 2cas s GLN 550 Cb -0.14 -2.30 -0.08 0.00 -0.22 0.00 0.00 33.01 30.27 2cas s GLN 550 CO 0.14 0.48 1.02 1.41 -0.25 0.00 0.00 175.29 178.09 2cas s MET 551 N -2.55 4.70 -0.04 2.91 -2.45 -1.26 -5.04 119.30 115.57 2cas s MET 551 Ca 0.24 1.60 -0.17 0.00 -1.25 0.00 0.00 55.69 56.11 2cas s MET 551 Cb -0.10 -3.29 0.03 0.00 1.25 0.00 0.00 34.83 32.72 2cas s MET 551 CO 0.16 0.25 0.37 0.45 1.05 0.00 0.00 175.02 177.30 2cas s SER 552 N -0.49 -0.29 0.61 1.11 0.15 -1.26 -4.99 113.70 108.53 2cas s SER 552 Ca 0.46 0.29 -0.13 0.00 0.70 0.00 0.00 55.95 57.27 2cas s SER 552 Cb -0.27 0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 64.43 2cas s SER 552 CO 0.34 -0.41 1.03 -0.51 1.20 0.00 0.00 173.24 174.89 2cas s ILE 553 N -1.03 4.29 0.34 6.45 2.07 -1.26 -5.00 121.20 127.06 2cas s ILE 553 Ca -0.11 0.90 -0.14 0.00 -1.41 0.00 0.00 60.65 59.89 2cas s ILE 553 Cb -0.04 -3.60 0.03 0.00 0.13 0.00 0.00 42.46 38.98 2cas s ILE 553 CO 0.04 -0.82 0.69 0.54 -1.91 0.00 0.00 174.94 173.48 2cas s ASN 554 N -3.50 0.08 0.64 4.50 2.20 -1.26 -4.96 114.94 112.64 2cas s ASN 554 Ca 0.59 -1.05 0.43 0.00 -0.94 0.00 0.00 52.86 51.88 2cas s ASN 554 Cb -0.13 0.76 2.30 0.00 -2.00 0.00 0.00 41.25 42.18 2cas s ASN 554 CO 0.45 -1.48 2.31 -0.37 -2.94 0.00 0.00 177.10 175.06 2cas h VAL 555 N 2.05 0.00 0.07 3.54 -1.51 -2.00 0.82 116.25 119.22 2cas h VAL 555 Ca -0.28 -0.04 -0.35 0.00 -1.23 0.00 0.00 66.70 64.81 2cas h VAL 555 Cb 1.25 1.01 -0.03 0.00 -2.13 0.00 0.00 31.29 31.38 2cas h VAL 555 CO 0.36 0.00 -2.00 0.47 -1.23 0.00 0.00 177.57 175.16 2cas n ASP 556 N -3.03 1.67 0.03 4.19 8.00 -1.26 -4.47 116.55 121.69 2cas n ASP 556 Ca -0.03 0.21 0.11 0.00 0.71 0.00 0.00 54.79 55.80 2cas n ASP 556 Cb 0.09 -0.51 0.04 0.00 -0.02 0.00 0.00 41.12 40.72 2cas n ASP 556 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2cas n ASN 557 N -3.30 0.62 -0.21 -2.24 0.23 -0.90 -4.60 115.26 104.85 2cas n ASN 557 Ca -0.30 -0.14 0.00 0.00 -0.53 0.00 0.00 54.58 53.61 2cas n ASN 557 Cb 1.05 0.73 0.03 0.00 -2.08 0.00 0.00 39.78 39.51 2cas n ASN 557 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 2cas n GLN 558 N -2.02 -0.12 0.00 -3.83 7.27 0.23 0.62 117.38 119.54 2cas n GLN 558 Ca 0.02 0.86 0.08 0.00 0.07 0.00 0.00 57.00 58.02 2cas n GLN 558 Cb 0.45 -1.27 0.43 0.00 2.41 0.00 0.00 30.24 32.25 2cas n GLN 558 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 2cas n PHE 559 N -4.83 0.00 1.08 3.69 3.72 -1.26 -1.45 117.46 118.41 2cas n PHE 559 Ca 0.06 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.60 2cas n PHE 559 Cb 0.23 -0.13 0.52 0.00 -0.94 0.00 0.00 39.48 39.16 2cas n PHE 559 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2cas n ASN 560 N -1.13 0.21 -1.06 4.37 5.03 0.20 -3.89 115.26 119.00 2cas n ASN 560 Ca 0.10 0.09 0.08 0.00 0.87 0.00 0.00 54.58 55.72 2cas n ASN 560 Cb 0.08 -0.21 0.28 0.00 -1.02 0.00 0.00 39.78 38.92 2cas n ASN 560 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2cas n TYR 561 N -1.41 1.12 -3.87 3.10 4.01 -0.53 -4.63 117.16 114.96 2cas n TYR 561 Ca 0.08 -0.84 -0.11 0.00 -0.16 0.00 0.00 57.90 56.87 2cas n TYR 561 Cb 0.32 -0.34 -0.09 0.00 -0.31 0.00 0.00 39.34 38.92 2cas n TYR 561 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2cas s VAL 562 N -2.76 0.10 0.97 -0.72 -7.23 -1.25 -5.12 120.40 104.38 2cas s VAL 562 Ca 0.44 -0.86 -0.11 0.00 -1.81 0.00 0.00 61.98 59.64 2cas s VAL 562 Cb 0.35 -0.74 0.17 0.00 0.56 0.00 0.00 36.38 36.72 2cas s VAL 562 CO 0.10 -0.47 1.09 -2.16 -0.31 0.00 0.00 175.10 173.35 2cas s PRO 563 N -2.13 0.67 0.62 4.82 0.04 -1.26 -4.88 135.00 132.88 2cas s PRO 563 Ca -0.09 1.00 -0.01 0.00 0.04 0.00 0.00 61.00 61.94 2cas s PRO 563 Cb -0.03 -1.73 0.06 0.00 0.04 0.00 0.00 34.50 32.84 2cas s PRO 563 CO -0.02 -2.70 0.88 -1.54 0.04 0.00 0.00 177.00 173.66 2cas s SER 564 N -3.02 4.97 0.50 6.66 1.04 -0.50 -4.88 113.70 118.46 2cas s SER 564 Ca 0.65 0.03 0.33 0.00 0.48 0.00 0.00 55.95 57.45 2cas s SER 564 Cb -0.21 -0.76 1.53 0.00 0.10 0.00 0.00 66.02 66.68 2cas s SER 564 CO 0.59 -1.40 1.99 -0.55 0.98 0.00 0.00 173.24 174.85 2cas h ASN 565 N -0.22 0.00 0.81 7.02 -1.07 -1.97 0.81 115.58 120.96 2cas h ASN 565 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.95 2cas h ASN 565 Cb 1.30 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.55 2cas h ASN 565 CO 0.52 0.00 -0.88 -0.38 0.07 0.00 0.00 177.43 176.76 2cas n ILE 566 N -2.84 0.41 -0.40 6.14 2.08 -1.26 -4.92 119.36 118.57 2cas n ILE 566 Ca -0.00 -0.38 0.00 0.00 0.56 0.00 0.00 62.75 62.93 2cas n ILE 566 Cb 0.21 -0.14 0.00 0.00 -0.75 0.00 0.00 39.64 38.96 2cas n ILE 566 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2cas n GLY 567 N 1.28 0.76 3.77 7.39 0.00 0.28 -5.04 105.19 113.63 2cas n GLY 567 Ca 0.02 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 2cas n GLY 567 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cas s GLY 568 N -2.37 2.92 0.13 -0.02 0.00 -1.26 -4.59 107.32 102.13 2cas s GLY 568 Ca 0.00 1.22 0.05 0.00 0.00 0.00 0.00 44.72 46.00 2cas s GLY 568 CO 0.00 1.81 -0.13 1.06 0.00 0.00 0.00 173.10 175.84 2cas s MET 569 N -2.26 1.02 0.13 2.90 -1.94 -1.26 -1.41 119.30 116.48 2cas s MET 569 Ca 0.57 -1.28 -0.09 0.00 -1.71 0.00 0.00 55.69 53.18 2cas s MET 569 Cb -0.38 -0.80 -0.00 0.00 2.01 0.00 0.00 34.83 35.66 2cas s MET 569 CO 0.48 0.14 0.26 -1.59 -0.01 0.00 0.00 175.02 174.30 2cas s LYS 570 N -2.93 1.04 -0.35 2.03 -2.85 -1.26 0.28 119.74 115.70 2cas s LYS 570 Ca 0.10 -1.06 0.00 0.00 -1.00 0.00 0.00 55.97 54.02 2cas s LYS 570 Cb -0.03 0.37 0.14 0.00 -2.06 0.00 0.00 37.83 36.25 2cas s LYS 570 CO 0.02 -0.37 0.24 0.42 0.10 0.00 0.00 175.35 175.77 2cas s ILE 571 N -3.92 0.00 0.37 3.79 1.01 -0.70 -4.91 121.20 116.85 2cas s ILE 571 Ca 0.11 -1.42 -0.28 0.00 0.00 0.00 0.00 60.65 59.06 2cas s ILE 571 Cb 0.04 -1.00 -0.10 0.00 0.01 0.00 0.00 42.46 41.40 2cas s ILE 571 CO -0.05 -0.87 1.36 -0.69 0.00 0.00 0.00 174.94 174.69 2cas s VAL 572 N 1.29 2.48 0.59 2.92 1.01 -1.26 -4.60 120.40 122.82 2cas s VAL 572 Ca 0.17 0.46 -0.13 0.00 0.00 0.00 0.00 61.98 62.47 2cas s VAL 572 Cb -0.20 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 2cas s VAL 572 CO -0.05 0.10 1.02 -0.72 0.00 0.00 0.00 175.10 175.45 2cas s TYR 573 N -1.17 3.48 0.23 5.22 1.13 -1.26 -4.75 117.35 120.23 2cas s TYR 573 Ca 0.53 1.38 0.06 0.00 -1.41 0.00 0.00 57.07 57.63 2cas s TYR 573 Cb -0.41 -2.78 -0.05 0.00 -1.10 0.00 0.00 41.96 37.62 2cas s TYR 573 CO 0.55 -0.64 -0.09 -1.21 -2.51 0.00 0.00 175.55 171.64 2cas s GLU 574 N -4.70 1.38 0.33 -3.49 0.41 -0.73 -4.99 118.70 106.90 2cas s GLU 574 Ca 0.57 -1.65 0.02 0.00 -0.41 0.00 0.00 54.97 53.50 2cas s GLU 574 Cb -0.11 -1.00 -0.03 0.00 -1.78 0.00 0.00 34.13 31.21 2cas s GLU 574 CO 0.45 0.08 0.51 0.15 -0.49 0.00 0.00 175.26 175.95 2cas s LYS 575 N -3.72 3.40 0.00 1.61 1.02 -1.26 -4.01 119.74 116.78 2cas s LYS 575 Ca 0.25 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.73 2cas s LYS 575 Cb 0.02 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.61 2cas s LYS 575 CO 0.08 0.17 0.00 -1.13 -0.92 0.00 0.00 175.35 173.55 2cas n SER 576 N -1.71 4.20 -3.80 2.83 3.41 -1.26 -4.82 113.62 112.47 2cas n SER 576 Ca -0.05 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.15 2cas n SER 576 Cb 0.57 0.34 0.01 0.00 -0.26 0.00 0.00 64.21 64.87 2cas n SER 576 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cas n GLN 577 N -1.94 4.89 -0.15 4.33 6.02 -1.26 -4.73 117.38 124.54 2cas n GLN 577 Ca 0.00 -4.62 -0.08 0.00 -0.01 0.00 0.00 57.00 52.29 2cas n GLN 577 Cb 0.44 -2.48 0.00 0.00 1.02 0.00 0.00 30.24 29.22 2cas n GLN 577 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2cas h LEU 578 N 4.77 0.59-10.12 1.08 4.07 -1.86 -3.10 115.31 110.74 2cas h LEU 578 Ca 0.36 -0.14 -0.47 0.00 0.08 0.00 0.00 57.88 57.71 2cas h LEU 578 Cb 0.47 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.06 2cas h LEU 578 CO 1.24 0.56 0.28 0.00 -1.08 0.00 0.00 178.44 179.45 2cas s ALA 579 N -5.67 3.14 0.53 1.53 0.00 -1.26 -4.56 121.76 115.47 2cas s ALA 579 Ca -0.13 0.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.93 2cas s ALA 579 Cb 0.11 -3.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 2cas s ALA 579 CO 0.75 -0.02 0.85 -1.25 0.00 0.00 0.00 175.76 176.10 2cas s PRO 580 N -3.63 3.37 0.00 0.00 0.04 -1.26 0.12 135.00 133.65 2cas s PRO 580 Ca 0.58 0.22 -0.01 0.00 0.04 0.00 0.00 61.00 61.83 2cas s PRO 580 Cb -0.10 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 2cas s PRO 580 CO 0.24 -0.40 0.01 0.50 0.04 0.00 0.00 177.00 177.39 2cas s ARG 581 N -4.88 0.18 0.18 4.56 3.52 -0.12 -4.77 118.95 117.62 2cas s ARG 581 Ca 0.50 -0.27 -0.24 0.00 -0.13 0.00 0.00 55.73 55.59 2cas s ARG 581 Cb -0.10 0.07 -0.08 0.00 -1.56 0.00 0.00 34.95 33.27 2cas s ARG 581 CO 0.46 -0.03 0.76 -1.59 -0.81 0.00 0.00 175.30 174.09 2cas s LYS 582 N -0.71 4.47 -0.14 5.12 -2.85 -1.26 -4.46 119.74 119.91 2cas s LYS 582 Ca -0.08 1.07 -0.19 0.00 -1.00 0.00 0.00 55.97 55.77 2cas s LYS 582 Cb -0.05 -3.15 -0.24 0.00 -2.06 0.00 0.00 37.83 32.33 2cas s LYS 582 CO -0.00 0.52 0.48 1.25 0.10 0.00 0.00 175.35 177.70 2cas h LEU 583 N 4.06 0.20 0.00 2.77 6.46 -1.96 -3.51 115.31 123.34 2cas h LEU 583 Ca -0.47 -0.77 0.00 0.00 -0.12 0.00 0.00 57.88 56.51 2cas h LEU 583 Cb 1.20 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.07 2cas h LEU 583 CO 0.66 1.48 0.00 0.00 -0.62 0.00 0.00 178.44 179.96