#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cia n THR 39 N 0.00 3.68 -2.74 1.96 -2.24 -1.26 -4.74 114.28 108.94 3cia n THR 39 Ca 0.00 -3.60 -0.03 0.00 -2.27 0.00 0.00 64.05 58.15 3cia n THR 39 Cb 0.00 -1.53 0.02 0.00 -2.10 0.00 0.00 70.33 66.72 3cia n THR 39 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3cia s ASP 40 N -0.12 -0.93 1.26 3.42 -1.08 -1.26 -4.64 116.67 113.32 3cia s ASP 40 Ca 0.56 -1.07 -0.18 0.00 -0.52 0.00 0.00 52.55 51.34 3cia s ASP 40 Cb 0.37 1.22 0.28 0.00 -1.46 0.00 0.00 42.92 43.33 3cia s ASP 40 CO -0.26 -0.04 0.65 0.00 0.52 0.00 0.00 175.17 176.03 3cia n ALA 41 N 2.88 -3.56 -0.51 3.66 0.00 -1.26 -3.83 120.51 117.88 3cia n ALA 41 Ca 0.15 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 52.10 3cia n ALA 41 Cb 0.60 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3cia n ALA 41 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3cia n TYR 42 N -5.13 0.00 -4.30 0.00 4.02 -1.26 -4.97 117.16 105.52 3cia n TYR 42 Ca 0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.68 3cia n TYR 42 Cb 0.54 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.69 3cia n TYR 42 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3cia s THR 43 N -3.36 1.42 -0.69 -0.72 -1.32 -1.25 -4.94 115.64 104.78 3cia s THR 43 Ca 0.00 -0.58 0.26 0.00 -1.21 0.00 0.00 61.69 60.16 3cia s THR 43 Cb 0.00 -1.32 0.26 0.00 -1.51 0.00 0.00 72.50 69.93 3cia s THR 43 CO 0.00 0.43 1.70 1.88 -2.21 0.00 0.00 174.62 176.42 3cia h TYR 44 N 7.62 0.00 -2.05 9.09 0.05 -1.91 -3.46 116.97 126.30 3cia h TYR 44 Ca -0.32 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 57.84 3cia h TYR 44 Cb 1.16 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.92 3cia h TYR 44 CO 0.48 0.00 1.06 0.00 -1.05 0.00 0.00 178.16 178.65 3cia n ALA 45 N -1.82 0.92 -1.75 3.88 0.00 -1.26 -4.81 120.51 115.67 3cia n ALA 45 Ca 0.05 0.30 -0.41 0.00 0.00 0.00 0.00 53.44 53.38 3cia n ALA 45 Cb 0.44 -2.48 -0.01 0.00 0.00 0.00 0.00 19.45 17.40 3cia n ALA 45 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3cia n ASN 46 N 6.27 5.79 0.00 0.00 6.94 -1.26 -4.67 115.26 128.32 3cia n ASN 46 Ca 0.22 -2.85 0.01 0.00 -0.02 0.00 0.00 54.58 51.94 3cia n ASN 46 Cb 0.29 -1.57 0.06 0.00 -2.36 0.00 0.00 39.78 36.20 3cia n ASN 46 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3cia n TYR 47 N 4.61 0.00 -0.08 -2.53 4.11 -1.26 -1.26 117.16 120.74 3cia n TYR 47 Ca 0.58 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 58.35 3cia n TYR 47 Cb 0.33 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.62 3cia n TYR 47 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.86 177.08 3cia h ASP 48 N 0.00 0.69 0.00 9.48 3.58 -2.00 -3.39 116.42 124.78 3cia h ASP 48 Ca 0.00 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 56.97 3cia h ASP 48 Cb 0.00 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.86 3cia h ASP 48 CO 0.00 1.03 -0.93 0.00 -2.88 0.00 0.00 179.24 176.46 3cia n GLN 49 N -4.31 1.35 -4.93 0.28 10.64 -0.39 -4.90 117.38 115.12 3cia n GLN 49 Ca -0.04 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 54.85 3cia n GLN 49 Cb 0.46 -0.96 -0.16 0.00 -0.86 0.00 0.00 30.24 28.72 3cia n GLN 49 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3cia s VAL 50 N -1.87 1.57 -0.11 -0.39 0.11 -1.13 -1.05 120.40 117.52 3cia s VAL 50 Ca 0.00 -0.79 -0.03 0.00 -2.93 0.00 0.00 61.98 58.23 3cia s VAL 50 Cb 0.00 -1.34 0.04 0.00 -1.53 0.00 0.00 36.38 33.55 3cia s VAL 50 CO 0.00 0.45 0.05 -0.54 -3.33 0.00 0.00 175.10 171.73 3cia s LYS 51 N 0.00 0.26 0.23 1.54 1.02 -0.63 -4.19 119.74 117.96 3cia s LYS 51 Ca -0.04 0.04 -0.31 0.00 0.02 0.00 0.00 55.97 55.68 3cia s LYS 51 Cb -0.12 -1.29 -0.10 0.00 -0.52 0.00 0.00 37.83 35.80 3cia s LYS 51 CO 0.03 -0.48 1.51 0.00 -0.92 0.00 0.00 175.35 175.49 3cia s ALA 52 N 2.06 3.70 -0.50 5.17 0.00 -1.26 -1.44 121.76 129.49 3cia s ALA 52 Ca 0.03 1.38 0.14 0.00 0.00 0.00 0.00 51.96 53.51 3cia s ALA 52 Cb -0.14 -3.59 -0.17 0.00 0.00 0.00 0.00 23.12 19.22 3cia s ALA 52 CO -0.06 -0.79 0.52 0.25 0.00 0.00 0.00 175.76 175.68 3cia n THR 53 N 2.87 0.00 -3.89 0.00 -2.24 0.48 -4.53 114.28 106.98 3cia n THR 53 Ca 0.09 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 3cia n THR 53 Cb 0.39 0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 69.35 3cia n THR 53 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3cia s HIS 54 N -2.48 0.24 -0.15 4.78 2.46 -1.25 -2.45 115.29 116.43 3cia s HIS 54 Ca 0.03 -0.60 -0.04 0.00 0.47 0.00 0.00 55.06 54.92 3cia s HIS 54 Cb 0.10 0.06 0.07 0.00 -0.13 0.00 0.00 32.58 32.68 3cia s HIS 54 CO 0.58 -0.75 0.19 0.08 -2.47 0.00 0.00 174.74 172.36 3cia s VAL 55 N -3.93 -0.28 -0.27 0.89 1.01 -0.11 -2.87 120.40 114.83 3cia s VAL 55 Ca 0.14 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 3cia s VAL 55 Cb 0.02 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 3cia s VAL 55 CO -0.02 -0.07 0.18 -0.47 0.00 0.00 0.00 175.10 174.72 3cia s TYR 56 N 2.30 3.23 -0.23 5.22 6.14 -0.55 -2.28 117.35 131.19 3cia s TYR 56 Ca 0.05 0.13 -0.08 0.00 0.64 0.00 0.00 57.07 57.80 3cia s TYR 56 Cb -0.14 -2.36 -0.04 0.00 0.42 0.00 0.00 41.96 39.84 3cia s TYR 56 CO -0.09 -0.13 0.10 -0.51 0.64 0.00 0.00 175.55 175.56 3cia s LEU 57 N 1.64 3.75 -0.82 6.97 2.01 -0.93 0.59 118.68 131.90 3cia s LEU 57 Ca 0.07 -0.03 -0.03 0.00 0.01 0.00 0.00 54.13 54.15 3cia s LEU 57 Cb -0.16 -1.99 0.20 0.00 0.01 0.00 0.00 46.19 44.25 3cia s LEU 57 CO 0.10 0.05 0.69 -0.62 1.01 0.00 0.00 176.35 177.57 3cia s ASP 58 N 1.14 5.86 0.15 2.29 -1.08 0.42 -0.49 116.67 124.96 3cia s ASP 58 Ca 0.05 -3.40 0.08 0.00 -0.52 0.00 0.00 52.55 48.77 3cia s ASP 58 Cb -0.14 -1.92 -0.04 0.00 -1.46 0.00 0.00 42.92 39.36 3cia s ASP 58 CO 0.04 -0.27 -0.10 -0.76 0.52 0.00 0.00 175.17 174.60 3cia s LEU 59 N -0.87 2.98 -0.10 -1.34 2.01 -0.30 -1.99 118.68 119.07 3cia s LEU 59 Ca 0.24 -0.51 0.01 0.00 0.01 0.00 0.00 54.13 53.88 3cia s LEU 59 Cb -0.11 -1.71 -0.02 0.00 0.01 0.00 0.00 46.19 44.36 3cia s LEU 59 CO -0.09 0.13 -0.15 0.21 1.01 0.00 0.00 176.35 177.46 3cia s ASN 60 N -2.58 3.92 -0.68 2.29 2.47 -0.84 -1.39 114.94 118.14 3cia s ASN 60 Ca 0.23 -0.31 -0.20 0.00 0.42 0.00 0.00 52.86 53.00 3cia s ASN 60 Cb -0.10 -1.35 0.10 0.00 -1.45 0.00 0.00 41.25 38.45 3cia s ASN 60 CO 0.14 0.22 0.89 -0.69 -3.72 0.00 0.00 177.10 173.94 3cia s VAL 61 N 0.02 4.61 -0.47 -5.21 1.01 0.65 -2.68 120.40 118.33 3cia s VAL 61 Ca -0.05 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 3cia s VAL 61 Cb -0.14 -4.62 0.07 0.00 0.00 0.00 0.00 36.38 31.69 3cia s VAL 61 CO 0.04 -1.33 0.39 -0.62 0.00 0.00 0.00 175.10 173.58 3cia s ASP 62 N 3.62 6.12 0.14 3.32 -1.08 -0.87 -4.70 116.67 123.22 3cia s ASP 62 Ca 0.20 -1.33 0.23 0.00 -0.52 0.00 0.00 52.55 51.13 3cia s ASP 62 Cb -0.18 -2.17 0.90 0.00 -1.46 0.00 0.00 42.92 40.01 3cia s ASP 62 CO 0.05 -0.64 1.71 0.49 0.52 0.00 0.00 175.17 177.30 3cia n PHE 63 N 5.19 0.50 0.07 -5.34 3.72 -1.26 -0.65 117.46 119.68 3cia n PHE 63 Ca -0.12 0.17 -0.17 0.00 -0.05 0.00 0.00 57.45 57.28 3cia n PHE 63 Cb 0.44 -0.78 -0.14 0.00 -0.94 0.00 0.00 39.48 38.05 3cia n PHE 63 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3cia h ASP 64 N 0.00 0.42 -0.01 4.37 3.45 -1.96 -3.31 116.42 119.37 3cia h ASP 64 Ca 0.00 -0.58 0.00 0.00 0.43 0.00 0.00 57.03 56.88 3cia h ASP 64 Cb 0.45 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 3cia h ASP 64 CO 0.00 1.48 -0.51 0.29 -1.57 0.00 0.00 179.24 178.93 3cia n LYS 65 N -3.47 1.17 -3.70 3.56 4.76 -1.22 -4.97 118.16 114.30 3cia n LYS 65 Ca -0.17 -0.91 -0.24 0.00 -2.87 0.00 0.00 58.31 54.12 3cia n LYS 65 Cb 1.05 -1.46 0.03 0.00 -1.84 0.00 0.00 35.03 32.81 3cia n LYS 65 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3cia n LYS 66 N -0.14 -3.58 -3.81 1.97 5.02 0.18 -4.50 118.16 113.30 3cia n LYS 66 Ca 0.09 0.57 -0.12 0.00 -2.02 0.00 0.00 58.31 56.82 3cia n LYS 66 Cb 0.45 -4.89 -0.10 0.00 -0.02 0.00 0.00 35.03 30.47 3cia n LYS 66 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3cia s SER 67 N -4.08 -0.14 -0.21 4.39 1.04 -0.62 -3.44 113.70 110.63 3cia s SER 67 Ca 0.15 0.11 -0.09 0.00 0.48 0.00 0.00 55.95 56.59 3cia s SER 67 Cb -0.04 0.34 -0.05 0.00 0.10 0.00 0.00 66.02 66.37 3cia s SER 67 CO 0.83 -0.32 0.12 -0.76 0.98 0.00 0.00 173.24 174.09 3cia s LEU 68 N -0.93 4.00 -0.02 2.42 1.43 -1.26 -2.05 118.68 122.28 3cia s LEU 68 Ca -0.10 0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 53.10 3cia s LEU 68 Cb -0.05 -2.05 0.03 0.00 0.03 0.00 0.00 46.19 44.15 3cia s LEU 68 CO 0.02 0.12 0.04 -0.94 0.23 0.00 0.00 176.35 175.81 3cia s SER 69 N 0.74 0.22 0.00 2.29 1.04 -1.09 -0.18 113.70 116.72 3cia s SER 69 Ca 0.06 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.54 3cia s SER 69 Cb -0.13 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.92 3cia s SER 69 CO 0.02 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.70 3cia n GLY 70 N 4.35 -0.65 3.53 7.32 0.00 -1.04 -1.98 105.19 116.72 3cia n GLY 70 Ca -0.24 0.54 -0.12 0.00 0.00 0.00 0.00 46.02 46.20 3cia n GLY 70 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cia s PHE 71 N 0.00 -0.47 -0.14 1.61 -0.12 -0.84 -2.64 117.98 115.39 3cia s PHE 71 Ca 0.00 0.65 0.00 0.00 -0.05 0.00 0.00 56.93 57.53 3cia s PHE 71 Cb 0.00 0.47 -0.01 0.00 -0.63 0.00 0.00 43.02 42.85 3cia s PHE 71 CO 0.00 -0.52 -0.15 0.00 -0.05 0.00 0.00 175.22 174.50 3cia s ALA 72 N -1.88 2.54 -0.36 1.99 0.00 0.13 -0.44 121.76 123.74 3cia s ALA 72 Ca -0.03 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.00 3cia s ALA 72 Cb -0.01 -1.19 0.10 0.00 0.00 0.00 0.00 23.12 22.03 3cia s ALA 72 CO 0.00 0.14 0.10 -2.00 0.00 0.00 0.00 175.76 174.00 3cia s GLU 73 N 0.54 1.66 0.34 0.00 2.12 0.20 -0.59 118.70 122.96 3cia s GLU 73 Ca -0.09 -1.85 -0.23 0.00 0.36 0.00 0.00 54.97 53.16 3cia s GLU 73 Cb -0.16 -3.33 -0.10 0.00 0.26 0.00 0.00 34.13 30.80 3cia s GLU 73 CO 0.04 -0.98 0.90 -0.51 -0.54 0.00 0.00 175.26 174.17 3cia s LEU 74 N 0.98 4.20 -0.12 2.70 2.01 -0.45 -1.48 118.68 126.52 3cia s LEU 74 Ca 0.10 1.69 0.03 0.00 0.01 0.00 0.00 54.13 55.96 3cia s LEU 74 Cb -0.20 -4.12 0.00 0.00 0.01 0.00 0.00 46.19 41.88 3cia s LEU 74 CO -0.07 -0.15 -0.22 -0.44 1.01 0.00 0.00 176.35 176.48 3cia s SER 75 N -1.85 3.21 0.23 2.29 0.01 -1.14 -1.61 113.70 114.84 3cia s SER 75 Ca 0.53 -0.55 0.09 0.00 1.31 0.00 0.00 55.95 57.33 3cia s SER 75 Cb -0.15 -1.45 -0.04 0.00 0.21 0.00 0.00 66.02 64.59 3cia s SER 75 CO 0.20 0.13 0.00 -0.76 0.41 0.00 0.00 173.24 173.22 3cia s LEU 76 N 0.54 3.26 -0.19 2.44 1.43 -1.00 -0.38 118.68 124.77 3cia s LEU 76 Ca -0.13 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.45 3cia s LEU 76 Cb -0.17 -1.84 0.04 0.00 0.03 0.00 0.00 46.19 44.26 3cia s LEU 76 CO 0.04 0.04 -0.10 -1.81 0.23 0.00 0.00 176.35 174.75 3cia s ASP 77 N -3.37 3.34 0.05 2.29 1.11 -0.52 -4.77 116.67 114.80 3cia s ASP 77 Ca 0.30 -0.86 -0.04 0.00 0.18 0.00 0.00 52.55 52.13 3cia s ASP 77 Cb -0.08 -1.22 -0.05 0.00 1.07 0.00 0.00 42.92 42.64 3cia s ASP 77 CO 0.19 -0.14 0.27 0.26 1.18 0.00 0.00 175.17 176.93 3cia s TRP 78 N 1.41 3.54 -0.07 4.23 0.52 -1.26 -1.61 118.94 125.69 3cia s TRP 78 Ca -0.01 0.47 0.04 0.00 0.02 0.00 0.00 56.10 56.62 3cia s TRP 78 Cb -0.16 -1.92 -0.07 0.00 -1.15 0.00 0.00 33.47 30.17 3cia s TRP 78 CO -0.08 0.57 -0.01 1.19 0.02 0.00 0.00 176.95 178.64 3cia n PHE 79 N 0.67 0.00 -3.23 -1.98 3.01 -0.21 -5.00 117.46 110.72 3cia n PHE 79 Ca -0.08 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.00 3cia n PHE 79 Cb 0.52 -0.32 -0.06 0.00 -0.01 0.00 0.00 39.48 39.61 3cia n PHE 79 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3cia s THR 80 N -2.16 5.11 -0.02 4.37 -4.23 -1.26 -4.98 115.64 112.48 3cia s THR 80 Ca -0.06 1.13 0.31 0.00 -1.18 0.00 0.00 61.69 61.89 3cia s THR 80 Cb 0.02 -3.89 0.33 0.00 1.34 0.00 0.00 72.50 70.30 3cia s THR 80 CO 0.24 0.32 1.93 0.44 -0.54 0.00 0.00 174.62 177.01 3cia h ASP 81 N 6.57 0.00 -2.84 3.99 3.32 -1.97 -3.45 116.42 122.04 3cia h ASP 81 Ca -0.42 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.04 3cia h ASP 81 Cb 1.19 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.65 3cia h ASP 81 CO 0.75 0.00 -0.61 0.54 -1.72 0.00 0.00 179.24 178.19 3cia s ASN 82 N -4.92 5.18 0.39 6.45 4.22 -1.26 -4.99 114.94 120.01 3cia s ASN 82 Ca 0.00 -0.24 -0.26 0.00 -2.14 0.00 0.00 52.86 50.23 3cia s ASN 82 Cb 0.09 -1.25 -0.11 0.00 1.28 0.00 0.00 41.25 41.26 3cia s ASN 82 CO 0.42 0.09 1.16 0.29 -2.04 0.00 0.00 177.10 177.02 3cia n LYS 83 N -0.16 1.71 -3.71 3.55 5.02 -1.26 -4.98 118.16 118.34 3cia n LYS 83 Ca -0.09 0.61 -0.13 0.00 -2.02 0.00 0.00 58.31 56.67 3cia n LYS 83 Cb 0.55 -2.20 -0.07 0.00 -0.02 0.00 0.00 35.03 33.28 3cia n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cia s ALA 84 N -1.19 -0.92 0.74 7.82 0.00 -1.26 -5.13 121.76 121.82 3cia s ALA 84 Ca 0.60 0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 3cia s ALA 84 Cb -0.56 0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.79 3cia s ALA 84 CO 0.59 -0.36 1.10 -2.14 0.00 0.00 0.00 175.76 174.95 3cia s PRO 85 N -1.88 2.60 -0.31 0.00 0.02 -1.26 -4.59 135.00 129.58 3cia s PRO 85 Ca -0.09 0.48 -0.11 0.00 0.02 0.00 0.00 61.00 61.30 3cia s PRO 85 Cb -0.03 -1.99 -0.02 0.00 0.02 0.00 0.00 34.50 32.49 3cia s PRO 85 CO 0.01 -1.22 0.18 -1.17 -0.33 0.00 0.00 177.00 174.47 3cia s LEU 86 N -5.48 4.18 -0.20 -5.54 0.20 -0.89 -4.89 118.68 106.07 3cia s LEU 86 Ca 0.59 -0.39 -0.09 0.00 0.69 0.00 0.00 54.13 54.94 3cia s LEU 86 Cb -0.12 -2.06 -0.04 0.00 -0.43 0.00 0.00 46.19 43.54 3cia s LEU 86 CO 0.52 -0.17 0.10 -0.63 -0.29 0.00 0.00 176.35 175.87 3cia s ILE 87 N 1.67 5.06 0.16 6.68 1.01 -1.26 -1.58 121.20 132.94 3cia s ILE 87 Ca 0.06 0.06 0.07 0.00 0.00 0.00 0.00 60.65 60.84 3cia s ILE 87 Cb -0.17 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 3cia s ILE 87 CO 0.08 0.44 -0.15 -0.76 0.00 0.00 0.00 174.94 174.55 3cia s LEU 88 N 0.45 2.47 0.15 2.97 1.43 0.71 -4.15 118.68 122.71 3cia s LEU 88 Ca 0.05 -0.90 -0.12 0.00 -1.03 0.00 0.00 54.13 52.14 3cia s LEU 88 Cb -0.12 -0.64 -0.07 0.00 0.03 0.00 0.00 46.19 45.40 3cia s LEU 88 CO -0.00 -0.14 0.51 -1.81 0.23 0.00 0.00 176.35 175.14 3cia s ASP 89 N -2.80 6.73 0.20 2.29 1.01 0.14 -0.98 116.67 123.24 3cia s ASP 89 Ca 0.15 0.96 -0.14 0.00 0.71 0.00 0.00 52.55 54.23 3cia s ASP 89 Cb -0.03 -2.24 0.01 0.00 1.01 0.00 0.00 42.92 41.67 3cia s ASP 89 CO 0.05 0.08 0.45 0.28 0.21 0.00 0.00 175.17 176.23 3cia s THR 90 N -1.54 0.03 0.00 -1.27 -1.32 -1.20 -3.06 115.64 107.28 3cia s THR 90 Ca 0.39 -1.09 0.00 0.00 -1.21 0.00 0.00 61.69 59.78 3cia s THR 90 Cb -0.14 -1.79 0.00 0.00 -1.51 0.00 0.00 72.50 69.06 3cia s THR 90 CO 0.20 -0.15 0.00 -1.14 -2.21 0.00 0.00 174.62 171.32 3cia n ARG 91 N -0.32 0.00 -3.04 7.08 0.63 -1.12 -2.86 116.66 117.03 3cia n ARG 91 Ca -0.07 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.61 3cia n ARG 91 Cb 0.62 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.49 3cia n ARG 91 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3cia n ASP 92 N -0.71 3.55 -4.79 6.15 8.00 -1.26 -4.34 116.55 123.15 3cia n ASP 92 Ca 0.00 -3.50 -0.36 0.00 0.71 0.00 0.00 54.79 51.64 3cia n ASP 92 Cb 0.00 -0.58 -0.08 0.00 -0.02 0.00 0.00 41.12 40.44 3cia n ASP 92 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3cia s LEU 93 N -3.11 4.09 -0.21 0.64 1.02 -1.26 -2.97 118.68 116.87 3cia s LEU 93 Ca 0.46 0.32 -0.09 0.00 0.02 0.00 0.00 54.13 54.84 3cia s LEU 93 Cb 0.28 -1.99 -0.04 0.00 0.02 0.00 0.00 46.19 44.46 3cia s LEU 93 CO -0.12 0.36 0.11 -0.69 0.02 0.00 0.00 176.35 176.03 3cia s VAL 94 N -0.73 4.99 -0.09 -1.59 1.01 -0.42 -4.96 120.40 118.61 3cia s VAL 94 Ca 0.13 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 3cia s VAL 94 Cb -0.12 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 3cia s VAL 94 CO 0.03 0.40 0.23 -0.63 0.00 0.00 0.00 175.10 175.13 3cia s ILE 95 N 0.79 5.34 -0.16 2.22 -1.09 -1.26 -1.07 121.20 125.97 3cia s ILE 95 Ca 0.05 0.43 -0.09 0.00 -2.23 0.00 0.00 60.65 58.81 3cia s ILE 95 Cb -0.13 -3.51 -0.07 0.00 -1.58 0.00 0.00 42.46 37.17 3cia s ILE 95 CO 0.02 0.59 -0.22 1.41 -1.23 0.00 0.00 174.94 175.51 3cia n HIS 96 N 2.08 0.00 -3.56 3.97 8.25 0.46 -4.97 115.22 121.45 3cia n HIS 96 Ca -0.17 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.20 3cia n HIS 96 Cb 0.54 -0.58 -0.04 0.00 1.12 0.00 0.00 29.99 31.03 3cia n HIS 96 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3cia s ARG 97 N -2.34 0.56 -0.08 -0.41 1.70 -1.19 -5.01 118.95 112.19 3cia s ARG 97 Ca -0.23 -0.05 0.03 0.00 -0.47 0.00 0.00 55.73 55.01 3cia s ARG 97 Cb 0.08 0.26 0.01 0.00 -0.57 0.00 0.00 34.95 34.73 3cia s ARG 97 CO 0.30 -0.21 -0.18 0.08 -1.08 0.00 0.00 175.30 174.21 3cia s VAL 98 N -1.94 1.56 0.22 4.99 1.01 -1.26 -1.52 120.40 123.46 3cia s VAL 98 Ca 0.03 -0.74 0.11 0.00 0.00 0.00 0.00 61.98 61.39 3cia s VAL 98 Cb -0.01 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 3cia s VAL 98 CO -0.03 0.45 -0.22 -0.04 0.00 0.00 0.00 175.10 175.25 3cia s MET 99 N 0.45 1.54 0.04 2.72 -1.94 -0.23 -2.23 119.30 119.65 3cia s MET 99 Ca -0.15 -1.59 -0.02 0.00 -1.71 0.00 0.00 55.69 52.22 3cia s MET 99 Cb -0.16 -1.77 -0.03 0.00 2.01 0.00 0.00 34.83 34.88 3cia s MET 99 CO 0.06 0.36 0.00 0.00 -0.01 0.00 0.00 175.02 175.43 3cia s ALA 100 N -1.97 0.24 -0.51 3.03 0.00 -0.76 -0.34 121.76 121.45 3cia s ALA 100 Ca 0.23 -0.85 -0.24 0.00 0.00 0.00 0.00 51.96 51.10 3cia s ALA 100 Cb -0.07 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.32 3cia s ALA 100 CO 0.11 -0.29 0.89 0.15 0.00 0.00 0.00 175.76 176.62 3cia s LYS 101 N -2.83 3.38 0.81 0.00 1.02 -0.91 -1.49 119.74 119.72 3cia s LYS 101 Ca -0.03 -0.17 -0.14 0.00 0.02 0.00 0.00 55.97 55.65 3cia s LYS 101 Cb 0.00 -4.01 0.21 0.00 -0.52 0.00 0.00 37.83 33.51 3cia s LYS 101 CO -0.06 -1.35 0.64 0.27 -0.92 0.00 0.00 175.35 173.93 3cia n ASN 102 N 7.20 -2.23 0.00 2.83 0.23 -1.14 -3.26 115.26 118.89 3cia n ASN 102 Ca 0.02 -0.79 0.00 0.00 -0.53 0.00 0.00 54.58 53.28 3cia n ASN 102 Cb 0.48 -0.62 0.00 0.00 -2.08 0.00 0.00 39.78 37.55 3cia n ASN 102 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3cia n SER 103 N -4.36 0.00 -0.94 0.53 3.41 -1.26 -0.82 113.62 110.17 3cia n SER 103 Ca 0.09 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.72 3cia n SER 103 Cb 0.37 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.33 3cia n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cia n GLN 104 N -0.73 0.00 -4.39 4.33 6.02 -1.26 -5.00 117.38 116.35 3cia n GLN 104 Ca 0.00 -1.40 -0.39 0.00 -0.01 0.00 0.00 57.00 55.20 3cia n GLN 104 Cb 0.00 -0.24 -0.06 0.00 1.02 0.00 0.00 30.24 30.96 3cia n GLN 104 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cia n GLY 105 N 0.22 -0.40 3.45 1.08 0.00 -0.00 -4.95 105.19 104.58 3cia n GLY 105 Ca 0.02 0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3cia n GLY 105 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cia s GLN 106 N -7.11 3.65 -0.63 1.61 -0.21 -1.26 -4.83 119.66 110.89 3cia s GLN 106 Ca 0.73 -0.49 -0.26 0.00 0.02 0.00 0.00 55.36 55.36 3cia s GLN 106 Cb -0.42 -3.25 -0.03 0.00 1.00 0.00 0.00 33.01 30.32 3cia s GLN 106 CO 0.98 -0.12 1.92 -1.58 -2.12 0.00 0.00 175.29 174.37 3cia s TRP 107 N 1.41 1.61 0.25 0.91 0.52 -1.26 -2.87 118.94 119.50 3cia s TRP 107 Ca 0.05 0.86 0.09 0.00 0.02 0.00 0.00 56.10 57.12 3cia s TRP 107 Cb -0.15 -4.03 -0.04 0.00 -1.15 0.00 0.00 33.47 28.10 3cia s TRP 107 CO 0.03 -2.27 0.01 0.14 0.02 0.00 0.00 176.95 174.87 3cia s VAL 108 N 9.51 3.56 -0.04 4.03 -7.23 -0.55 -4.90 120.40 124.78 3cia s VAL 108 Ca 0.70 -1.78 -0.22 0.00 -1.81 0.00 0.00 61.98 58.87 3cia s VAL 108 Cb -0.12 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 3cia s VAL 108 CO 0.19 -0.32 0.65 -0.75 -0.31 0.00 0.00 175.10 174.56 3cia s LYS 109 N -3.53 4.40 0.30 4.82 2.20 -1.26 -1.83 119.74 124.83 3cia s LYS 109 Ca 0.31 0.80 0.09 0.00 -0.36 0.00 0.00 55.97 56.80 3cia s LYS 109 Cb -0.07 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 3cia s LYS 109 CO 0.20 0.19 0.04 0.14 -0.36 0.00 0.00 175.35 175.56 3cia s VAL 110 N 0.39 3.15 0.25 4.02 -7.23 -0.95 -4.94 120.40 115.10 3cia s VAL 110 Ca 0.34 -1.87 0.08 0.00 -1.81 0.00 0.00 61.98 58.72 3cia s VAL 110 Cb -0.18 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 3cia s VAL 110 CO 0.17 -0.29 0.11 0.54 -0.31 0.00 0.00 175.10 175.32 3cia s ASN 111 N -3.73 5.10 0.10 4.85 2.20 -1.26 -4.43 114.94 117.77 3cia s ASN 111 Ca 0.34 -0.41 -0.00 0.00 -0.94 0.00 0.00 52.86 51.84 3cia s ASN 111 Cb -0.04 -1.17 -0.04 0.00 -2.00 0.00 0.00 41.25 38.00 3cia s ASN 111 CO 0.20 -0.02 -0.00 -0.72 -2.94 0.00 0.00 177.10 173.63 3cia s TYR 112 N -2.19 0.77 -0.07 1.54 1.13 -1.26 -1.44 117.35 115.83 3cia s TYR 112 Ca 0.32 -1.09 0.04 0.00 -1.41 0.00 0.00 57.07 54.93 3cia s TYR 112 Cb -0.07 -0.47 -0.00 0.00 -1.10 0.00 0.00 41.96 40.31 3cia s TYR 112 CO 0.23 -0.37 -0.21 0.34 -2.51 0.00 0.00 175.55 173.03 3cia s ASP 113 N -3.01 2.69 -0.36 -0.18 3.68 0.12 -4.99 116.67 114.62 3cia s ASP 113 Ca 0.15 -0.46 -0.04 0.00 2.13 0.00 0.00 52.55 54.33 3cia s ASP 113 Cb 0.07 -0.98 0.07 0.00 -1.45 0.00 0.00 42.92 40.63 3cia s ASP 113 CO -0.04 0.17 0.13 -0.22 0.13 0.00 0.00 175.17 175.33 3cia s LEU 114 N 0.17 4.61 0.98 -1.34 2.96 -1.26 -0.65 118.68 124.15 3cia s LEU 114 Ca -0.10 -1.51 -0.12 0.00 -0.22 0.00 0.00 54.13 52.18 3cia s LEU 114 Cb -0.15 -1.83 0.18 0.00 0.50 0.00 0.00 46.19 44.89 3cia s LEU 114 CO 0.05 -0.41 1.08 0.00 -1.32 0.00 0.00 176.35 175.76 3cia s ALA 115 N 1.28 0.92 0.41 5.97 0.00 0.54 -4.93 121.76 125.96 3cia s ALA 115 Ca 0.01 -0.00 -0.26 0.00 0.00 0.00 0.00 51.96 51.70 3cia s ALA 115 Cb -0.21 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.57 3cia s ALA 115 CO -0.01 -2.88 1.40 1.17 0.00 0.00 0.00 175.76 175.45 3cia n LYS 116 N -4.26 2.29 -2.43 0.00 0.00 -1.26 -4.19 118.16 108.32 3cia n LYS 116 Ca 0.06 0.81 -0.42 0.00 0.00 0.00 0.00 58.31 58.77 3cia n LYS 116 Cb 0.55 -2.56 -0.03 0.00 0.00 0.00 0.00 35.03 32.99 3cia n LYS 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 3cia s ARG 117 N -2.24 4.41 0.69 1.64 3.52 -1.26 -4.47 118.95 121.24 3cia s ARG 117 Ca 0.58 1.75 -0.10 0.00 -0.13 0.00 0.00 55.73 57.84 3cia s ARG 117 Cb -0.48 -3.40 0.03 0.00 -1.56 0.00 0.00 34.95 29.54 3cia s ARG 117 CO 0.60 -0.30 1.05 0.34 -0.81 0.00 0.00 175.30 176.18 3cia s ASP 118 N 1.18 5.24 0.19 -2.12 2.15 0.24 -4.90 116.67 118.66 3cia s ASP 118 Ca 0.58 0.88 0.17 0.00 0.43 0.00 0.00 52.55 54.61 3cia s ASP 118 Cb -0.28 -1.65 -0.01 0.00 -0.30 0.00 0.00 42.92 40.68 3cia s ASP 118 CO 0.28 -1.40 1.16 0.44 -0.17 0.00 0.00 175.17 175.48 3cia h ASP 119 N -0.60 0.00 0.00 -0.34 3.45 -1.96 -3.23 116.42 113.74 3cia h ASP 119 Ca -0.45 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 56.86 3cia h ASP 119 Cb 1.28 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 40.02 3cia h ASP 119 CO 0.63 0.44 -1.55 0.55 -1.57 0.00 0.00 179.24 177.74 3cia n VAL 120 N -3.02 0.56 0.96 -1.35 3.14 -1.26 -4.76 118.33 112.59 3cia n VAL 120 Ca -0.03 -0.22 0.12 0.00 -2.96 0.00 0.00 64.34 61.25 3cia n VAL 120 Cb 0.74 -0.84 0.17 0.00 -1.06 0.00 0.00 33.84 32.85 3cia n VAL 120 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3cia n LEU 121 N -2.77 0.59 0.00 6.55 4.77 -1.26 -5.07 117.00 119.82 3cia n LEU 121 Ca -0.17 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 3cia n LEU 121 Cb 0.69 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3cia n LEU 121 CO 0.10 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3cia n GLY 122 N 1.49 -0.13 3.62 -0.72 0.00 -1.22 -4.60 105.19 103.63 3cia n GLY 122 Ca 0.05 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 3cia n GLY 122 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cia s SER 123 N -4.00 5.96 -0.08 1.61 0.01 -1.13 0.82 113.70 116.88 3cia s SER 123 Ca 0.00 0.05 -0.30 0.00 1.31 0.00 0.00 55.95 57.02 3cia s SER 123 Cb 0.00 -2.08 -0.02 0.00 0.21 0.00 0.00 66.02 64.14 3cia s SER 123 CO 0.00 0.04 1.00 -0.75 0.41 0.00 0.00 173.24 173.95 3cia s LYS 124 N 1.18 4.46 -0.39 12.44 2.20 -1.26 -3.25 119.74 135.11 3cia s LYS 124 Ca 0.07 1.40 -0.15 0.00 -0.36 0.00 0.00 55.97 56.94 3cia s LYS 124 Cb -0.14 -3.52 0.01 0.00 -1.51 0.00 0.00 37.83 32.67 3cia s LYS 124 CO 0.05 -0.25 0.30 -1.17 -0.36 0.00 0.00 175.35 173.92 3cia s LEU 125 N 1.77 4.88 -0.36 5.43 2.96 -0.15 -0.34 118.68 132.87 3cia s LEU 125 Ca 0.49 -0.71 -0.11 0.00 -0.22 0.00 0.00 54.13 53.59 3cia s LEU 125 Cb -0.19 -2.18 0.01 0.00 0.50 0.00 0.00 46.19 44.33 3cia s LEU 125 CO 0.20 -0.39 0.20 -0.89 -1.32 0.00 0.00 176.35 174.15 3cia s THR 126 N 1.75 4.68 -0.02 3.68 2.01 0.17 -0.21 115.64 127.72 3cia s THR 126 Ca 0.06 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.41 3cia s THR 126 Cb -0.18 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 3cia s THR 126 CO 0.11 -0.14 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.23 3cia s ILE 127 N 1.59 3.92 -0.48 1.82 1.01 -0.62 -0.70 121.20 127.75 3cia s ILE 127 Ca 0.03 -0.62 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 3cia s ILE 127 Cb -0.18 -2.70 0.11 0.00 0.01 0.00 0.00 42.46 39.69 3cia s ILE 127 CO 0.07 0.43 0.37 0.21 0.00 0.00 0.00 174.94 176.03 3cia s ASN 128 N -1.34 5.84 0.04 3.58 2.47 -0.52 -2.09 114.94 122.93 3cia s ASN 128 Ca 0.17 -1.76 0.04 0.00 0.42 0.00 0.00 52.86 51.73 3cia s ASN 128 Cb -0.11 -2.07 -0.04 0.00 -1.45 0.00 0.00 41.25 37.58 3cia s ASN 128 CO 0.07 -0.70 -0.03 -0.89 -3.72 0.00 0.00 177.10 171.83 3cia s THR 129 N 1.45 3.85 0.29 -5.21 2.01 -1.26 -4.36 115.64 112.41 3cia s THR 129 Ca 0.04 -0.86 -0.27 0.00 0.31 0.00 0.00 61.69 60.92 3cia s THR 129 Cb -0.26 -2.75 -0.15 0.00 0.01 0.00 0.00 72.50 69.35 3cia s THR 129 CO 0.01 0.27 0.76 -2.65 -0.69 0.00 0.00 174.62 172.32 3cia n PRO 130 N 1.11 0.76 -1.73 4.92 -0.02 -1.26 -4.72 135.00 134.05 3cia n PRO 130 Ca -0.13 0.27 -0.65 0.00 -2.02 0.00 0.00 63.50 60.96 3cia n PRO 130 Cb 0.52 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.41 3cia n PRO 130 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3cia n LEU 131 N 1.49 1.47 -1.42 2.45 -0.00 -1.26 0.03 117.00 119.76 3cia n LEU 131 Ca 0.13 1.15 -0.16 0.00 -0.00 0.00 0.00 56.01 57.13 3cia n LEU 131 Cb 0.31 -0.94 -0.05 0.00 -0.00 0.00 0.00 43.42 42.74 3cia n LEU 131 CO 0.58 -0.74 -0.17 0.59 -0.00 0.00 0.00 177.39 177.64 3cia n ASN 132 N 4.40 -4.92 -4.71 1.96 5.03 -1.26 -4.78 115.26 110.97 3cia n ASN 132 Ca 0.30 0.28 -0.62 0.00 0.87 0.00 0.00 54.58 55.42 3cia n ASN 132 Cb -0.02 -3.91 -0.08 0.00 -1.02 0.00 0.00 39.78 34.75 3cia n ASN 132 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3cia n ALA 133 N 0.41 -0.89 0.88 5.41 0.00 0.10 -4.79 120.51 121.63 3cia n ALA 133 Ca -0.17 0.45 0.14 0.00 0.00 0.00 0.00 53.44 53.86 3cia n ALA 133 Cb 0.57 -2.06 0.53 0.00 0.00 0.00 0.00 19.45 18.48 3cia n ALA 133 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3cia n LYS 134 N 4.49 0.08 -3.53 0.00 5.02 -1.20 -4.62 118.16 118.40 3cia n LYS 134 Ca 0.28 0.06 -0.11 0.00 -2.02 0.00 0.00 58.31 56.52 3cia n LYS 134 Cb 0.05 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.44 3cia n LYS 134 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cia s LYS 135 N -3.03 1.31 -0.14 1.97 1.02 -1.26 -2.36 119.74 117.24 3cia s LYS 135 Ca 0.13 -0.60 -0.12 0.00 0.02 0.00 0.00 55.97 55.40 3cia s LYS 135 Cb 0.17 0.57 0.04 0.00 -0.52 0.00 0.00 37.83 38.09 3cia s LYS 135 CO 0.56 -0.57 0.37 0.08 -0.92 0.00 0.00 175.35 174.87 3cia s VAL 136 N -3.79 -0.01 -0.14 3.17 1.01 -0.63 -2.15 120.40 117.86 3cia s VAL 136 Ca 0.03 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.05 3cia s VAL 136 Cb -0.01 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.86 3cia s VAL 136 CO -0.10 0.01 -0.18 -0.60 0.00 0.00 0.00 175.10 174.23 3cia s ARG 137 N 0.42 2.66 -0.17 2.72 3.52 0.54 -1.34 118.95 127.30 3cia s ARG 137 Ca -0.02 -0.71 -0.02 0.00 -0.13 0.00 0.00 55.73 54.85 3cia s ARG 137 Cb -0.04 -2.26 -0.02 0.00 -1.56 0.00 0.00 34.95 31.07 3cia s ARG 137 CO -0.02 -0.13 -0.07 0.08 -0.81 0.00 0.00 175.30 174.35 3cia s VAL 138 N 1.13 3.38 -0.25 7.11 1.01 0.24 -1.07 120.40 131.95 3cia s VAL 138 Ca -0.01 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 3cia s VAL 138 Cb -0.14 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 3cia s VAL 138 CO -0.07 0.48 0.21 -0.31 0.00 0.00 0.00 175.10 175.41 3cia s TYR 139 N 0.79 3.28 0.24 5.22 2.02 -0.58 -0.69 117.35 127.63 3cia s TYR 139 Ca -0.03 0.23 -0.14 0.00 -0.37 0.00 0.00 57.07 56.76 3cia s TYR 139 Cb -0.15 -2.35 0.00 0.00 -0.40 0.00 0.00 41.96 39.06 3cia s TYR 139 CO 0.01 -0.04 0.50 1.52 -1.57 0.00 0.00 175.55 175.97 3cia s TYR 140 N 1.41 0.21 0.01 2.71 1.13 -1.08 -0.41 117.35 121.32 3cia s TYR 140 Ca 0.09 -0.58 0.04 0.00 -1.41 0.00 0.00 57.07 55.20 3cia s TYR 140 Cb -0.15 0.27 -0.01 0.00 -1.10 0.00 0.00 41.96 40.97 3cia s TYR 140 CO 0.07 -0.99 -0.11 0.54 -2.51 0.00 0.00 175.55 172.55 3cia s ASN 141 N -2.98 1.31 0.49 -0.18 4.22 -0.23 -2.50 114.94 115.08 3cia s ASN 141 Ca 0.18 -0.28 -0.21 0.00 -2.14 0.00 0.00 52.86 50.42 3cia s ASN 141 Cb -0.01 -0.12 -0.08 0.00 1.28 0.00 0.00 41.25 42.32 3cia s ASN 141 CO 0.06 0.08 1.07 -0.94 -2.04 0.00 0.00 177.10 175.33 3cia s SER 142 N -0.56 6.23 0.36 3.54 1.04 0.75 -1.30 113.70 123.77 3cia s SER 142 Ca 0.03 2.03 0.07 0.00 0.48 0.00 0.00 55.95 58.56 3cia s SER 142 Cb -0.05 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.48 3cia s SER 142 CO 0.00 -0.86 0.37 0.42 0.98 0.00 0.00 173.24 174.15 3cia s THR 143 N -1.86 3.35 0.35 2.02 -4.23 -1.16 -4.10 115.64 110.01 3cia s THR 143 Ca 0.67 -1.27 0.10 0.00 -1.18 0.00 0.00 61.69 60.02 3cia s THR 143 Cb -0.20 -3.16 0.08 0.00 1.34 0.00 0.00 72.50 70.56 3cia s THR 143 CO 0.24 -0.11 1.79 1.05 -0.54 0.00 0.00 174.62 177.04 3cia h GLU 144 N 1.08 0.11 0.00 3.99 9.09 -1.78 -0.49 114.58 126.57 3cia h GLU 144 Ca -0.44 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 58.93 3cia h GLU 144 Cb 1.26 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 3cia h GLU 144 CO 0.56 0.46 0.00 0.36 0.05 0.00 0.00 179.01 180.44 3cia n LYS 145 N -4.09 0.60 -1.68 1.06 2.85 -1.26 -4.82 118.16 110.82 3cia n LYS 145 Ca -0.02 0.00 -0.46 0.00 -1.05 0.00 0.00 58.31 56.79 3cia n LYS 145 Cb 0.42 -1.22 -0.04 0.00 -0.65 0.00 0.00 35.03 33.54 3cia n LYS 145 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3cia n ALA 146 N -0.72 1.30 0.75 0.58 0.00 -0.19 -4.84 120.51 117.39 3cia n ALA 146 Ca 0.06 0.30 0.10 0.00 0.00 0.00 0.00 53.44 53.90 3cia n ALA 146 Cb 0.03 -2.53 0.45 0.00 0.00 0.00 0.00 19.45 17.40 3cia n ALA 146 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3cia n THR 147 N 4.88 0.57 -0.49 0.00 -2.24 -1.26 -3.49 114.28 112.25 3cia n THR 147 Ca 0.20 0.14 0.08 0.00 -2.27 0.00 0.00 64.05 62.21 3cia n THR 147 Cb 0.33 -0.80 0.26 0.00 -2.10 0.00 0.00 70.33 68.01 3cia n THR 147 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cia n GLY 148 N 0.54 2.97 2.85 3.38 0.00 -1.25 -4.93 105.19 108.75 3cia n GLY 148 Ca 0.06 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 45.22 3cia n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cia s LEU 149 N -1.59 1.43 -0.27 0.99 1.43 -1.23 -1.54 118.68 117.91 3cia s LEU 149 Ca 0.38 -0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 53.37 3cia s LEU 149 Cb 0.24 -0.22 -0.01 0.00 0.03 0.00 0.00 46.19 46.23 3cia s LEU 149 CO 0.19 -0.06 0.07 -1.58 0.23 0.00 0.00 176.35 175.21 3cia s GLN 150 N 0.68 3.40 -0.43 1.70 2.00 -0.13 -4.84 119.66 122.04 3cia s GLN 150 Ca -0.07 -0.65 -0.13 0.00 -2.00 0.00 0.00 55.36 52.51 3cia s GLN 150 Cb -0.10 -3.35 0.06 0.00 0.80 0.00 0.00 33.01 30.42 3cia s GLN 150 CO -0.01 -0.31 0.31 -1.58 -0.50 0.00 0.00 175.29 173.21 3cia s TRP 151 N 1.56 3.27 -0.23 1.67 0.52 -1.26 -2.84 118.94 121.64 3cia s TRP 151 Ca 0.05 -1.08 -0.09 0.00 0.02 0.00 0.00 56.10 55.00 3cia s TRP 151 Cb -0.16 -2.92 -0.04 0.00 -1.15 0.00 0.00 33.47 29.20 3cia s TRP 151 CO 0.03 -0.77 0.12 -0.51 0.02 0.00 0.00 176.95 175.85 3cia s LEU 152 N 1.57 3.94 0.69 2.99 1.43 0.18 -4.98 118.68 124.49 3cia s LEU 152 Ca 0.03 0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 53.04 3cia s LEU 152 Cb -0.22 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 43.97 3cia s LEU 152 CO 0.06 0.07 1.15 -0.94 0.23 0.00 0.00 176.35 176.92 3cia s SER 153 N 0.99 4.71 0.56 2.29 1.04 -1.26 -0.26 113.70 121.76 3cia s SER 153 Ca 0.06 2.15 0.28 0.00 0.48 0.00 0.00 55.95 58.92 3cia s SER 153 Cb -0.14 -2.57 1.47 0.00 0.10 0.00 0.00 66.02 64.89 3cia s SER 153 CO 0.04 -1.91 1.95 0.00 0.98 0.00 0.00 173.24 174.30 3cia h ALA 154 N -0.12 2.39 0.00 5.32 0.00 -1.88 0.19 119.26 125.15 3cia h ALA 154 Ca -0.47 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.23 3cia h ALA 154 Cb 1.27 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3cia h ALA 154 CO 0.52 -0.74 -0.86 1.05 0.00 0.00 0.00 179.25 179.23 3cia h GLU 155 N 0.00 0.17 -0.86 0.00 4.11 -1.85 -3.00 114.58 113.14 3cia h GLU 155 Ca 0.26 -0.18 0.00 0.00 0.07 0.00 0.00 59.36 59.51 3cia h GLU 155 Cb 1.17 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3cia h GLU 155 CO -0.00 0.92 0.00 1.04 0.07 0.00 0.00 179.01 181.04 3cia n GLN 156 N -3.65 0.96 -4.51 1.06 6.02 0.66 -4.79 117.38 113.11 3cia n GLN 156 Ca -0.03 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.71 3cia n GLN 156 Cb 0.80 -1.43 -0.11 0.00 1.02 0.00 0.00 30.24 30.52 3cia n GLN 156 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3cia s THR 157 N -1.10 2.00 0.13 5.09 -4.23 -1.16 -4.85 115.64 111.53 3cia s THR 157 Ca 0.00 -2.15 -0.12 0.00 -1.18 0.00 0.00 61.69 58.24 3cia s THR 157 Cb 0.00 -2.63 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 3cia s THR 157 CO 0.00 -0.20 1.49 0.00 -0.54 0.00 0.00 174.62 175.37 3cia h ALA 158 N 2.07 0.56 0.00 3.99 0.00 -1.87 -3.13 119.26 120.89 3cia h ALA 158 Ca -0.42 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.03 3cia h ALA 158 Cb 1.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3cia h ALA 158 CO 0.71 0.57 -0.31 0.78 0.00 0.00 0.00 179.25 180.99 3cia h GLY 159 N 0.68 0.00 0.00 0.00 0.00 -1.85 -3.45 103.07 98.45 3cia h GLY 159 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3cia h GLY 159 CO 0.07 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.89 3cia n LYS 160 N -3.68 0.00 -0.06 4.80 4.76 -1.15 -4.63 118.16 118.20 3cia n LYS 160 Ca -0.01 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.40 3cia n LYS 160 Cb 0.42 -3.09 -0.14 0.00 -1.84 0.00 0.00 35.03 30.38 3cia n LYS 160 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3cia n GLU 161 N -2.00 0.97 -4.15 1.97 1.02 -1.25 -4.27 120.64 112.92 3cia n GLU 161 Ca 0.00 -0.06 -0.15 0.00 -0.02 0.00 0.00 57.16 56.93 3cia n GLU 161 Cb 0.00 -1.45 -0.13 0.00 -0.02 0.00 0.00 31.44 29.84 3cia n GLU 161 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3cia s LYS 162 N -2.70 0.50 1.19 3.49 1.02 -1.26 -4.90 119.74 117.09 3cia s LYS 162 Ca -0.08 -0.41 -0.17 0.00 0.02 0.00 0.00 55.97 55.34 3cia s LYS 162 Cb 0.07 -0.42 0.28 0.00 -0.52 0.00 0.00 37.83 37.24 3cia s LYS 162 CO 0.74 0.10 1.05 -1.25 -0.92 0.00 0.00 175.35 175.07 3cia s PRO 163 N -0.64 -1.15 -0.04 -1.68 0.04 -1.26 -4.11 135.00 126.16 3cia s PRO 163 Ca -0.02 0.31 -0.04 0.00 0.04 0.00 0.00 61.00 61.30 3cia s PRO 163 Cb -0.05 -1.57 0.01 0.00 0.04 0.00 0.00 34.50 32.93 3cia s PRO 163 CO 0.00 -3.74 0.11 0.12 0.04 0.00 0.00 177.00 173.53 3cia s PHE 164 N -2.72 -0.12 0.05 0.56 2.19 0.64 -4.36 117.98 114.22 3cia s PHE 164 Ca 0.68 0.29 0.06 0.00 0.33 0.00 0.00 56.93 58.29 3cia s PHE 164 Cb -0.16 0.03 -0.02 0.00 -1.31 0.00 0.00 43.02 41.56 3cia s PHE 164 CO 0.59 -0.06 -0.16 -1.17 1.83 0.00 0.00 175.22 176.25 3cia s LEU 165 N 0.11 2.19 -0.03 6.12 2.96 0.26 -0.65 118.68 129.64 3cia s LEU 165 Ca -0.00 -0.50 -0.24 0.00 -0.22 0.00 0.00 54.13 53.16 3cia s LEU 165 Cb -0.01 -0.69 0.05 0.00 0.50 0.00 0.00 46.19 46.04 3cia s LEU 165 CO -0.00 0.05 0.53 0.72 -1.32 0.00 0.00 176.35 176.32 3cia s PHE 166 N -0.91 -0.46 0.17 5.38 -0.12 -1.13 0.12 117.98 121.03 3cia s PHE 166 Ca 0.03 0.77 -0.07 0.00 -0.05 0.00 0.00 56.93 57.60 3cia s PHE 166 Cb -0.08 0.28 -0.06 0.00 -0.63 0.00 0.00 43.02 42.52 3cia s PHE 166 CO 0.02 -0.52 0.45 -1.54 -0.05 0.00 0.00 175.22 173.58 3cia s SER 167 N -1.25 6.57 -0.36 1.98 1.04 0.04 -0.96 113.70 120.76 3cia s SER 167 Ca -0.12 0.76 -0.00 0.00 0.48 0.00 0.00 55.95 57.06 3cia s SER 167 Cb -0.02 -2.16 0.13 0.00 0.10 0.00 0.00 66.02 64.07 3cia s SER 167 CO 0.08 0.01 0.19 -1.58 0.98 0.00 0.00 173.24 172.92 3cia s GLN 168 N -2.65 0.67 -0.02 4.02 2.00 -0.59 -4.78 119.66 118.33 3cia s GLN 168 Ca 0.43 -1.33 0.13 0.00 -2.00 0.00 0.00 55.36 52.60 3cia s GLN 168 Cb -0.12 -1.58 0.41 0.00 0.80 0.00 0.00 33.01 32.52 3cia s GLN 168 CO 0.22 -1.15 1.32 0.09 -0.50 0.00 0.00 175.29 175.28 3cia n ASN 169 N 4.21 2.57 -4.55 6.67 3.02 -1.26 -4.67 115.26 121.25 3cia n ASN 169 Ca 0.07 -2.06 -0.37 0.00 -0.03 0.00 0.00 54.58 52.18 3cia n ASN 169 Cb 0.38 -0.34 -0.11 0.00 -0.61 0.00 0.00 39.78 39.10 3cia n ASN 169 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3cia s GLN 170 N -1.48 3.86 -0.15 3.52 0.74 -1.26 -2.49 119.66 122.40 3cia s GLN 170 Ca 0.30 -0.37 -0.03 0.00 0.05 0.00 0.00 55.36 55.31 3cia s GLN 170 Cb 0.17 -3.53 -0.08 0.00 1.10 0.00 0.00 33.01 30.67 3cia s GLN 170 CO 0.19 -0.15 -0.16 0.00 -0.55 0.00 0.00 175.29 174.62 3cia n ALA 171 N 4.92 1.85 -3.16 1.58 0.00 -1.26 -4.81 120.51 119.63 3cia n ALA 171 Ca -0.15 -0.61 -0.25 0.00 0.00 0.00 0.00 53.44 52.43 3cia n ALA 171 Cb 0.52 0.23 -0.05 0.00 0.00 0.00 0.00 19.45 20.15 3cia n ALA 171 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3cia n ILE 172 N -3.29 1.76 -0.06 0.00 -5.35 -1.25 -4.77 119.36 106.41 3cia n ILE 172 Ca -0.28 -5.09 0.00 0.00 -0.27 0.00 0.00 62.75 57.12 3cia n ILE 172 Cb 0.74 -1.46 0.00 0.00 -1.74 0.00 0.00 39.64 37.18 3cia n ILE 172 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3cia n HIS 173 N 0.38 0.00 -0.08 4.28 8.25 -1.04 -4.62 115.22 122.39 3cia n HIS 173 Ca 0.28 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.73 3cia n HIS 173 Cb 0.47 0.00 0.24 0.00 1.12 0.00 0.00 29.99 31.82 3cia n HIS 173 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3cia h ALA 174 N 0.00 1.30 0.00 -1.41 0.00 -1.86 -0.90 119.26 116.38 3cia h ALA 174 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3cia h ALA 174 Cb 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3cia h ALA 174 CO 0.00 0.49 0.00 0.07 0.00 0.00 0.00 179.25 179.81 3cia h ARG 175 N 0.69 0.00 0.00 0.00 0.11 -1.82 -0.50 114.38 112.86 3cia h ARG 175 Ca 0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.23 3cia h ARG 175 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.36 3cia h ARG 175 CO -0.00 0.00 0.00 -1.13 0.10 0.00 0.00 179.97 178.94 3cia n SER 176 N -2.53 0.18 -0.22 0.08 3.41 -0.34 -2.81 113.62 111.39 3cia n SER 176 Ca 0.00 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 3cia n SER 176 Cb 0.19 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 3cia n SER 176 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 3cia n TRP 177 N -1.69 0.00 -3.64 7.33 4.27 -1.01 -4.51 117.44 118.20 3cia n TRP 177 Ca 0.03 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.54 3cia n TRP 177 Cb 0.20 0.04 -0.11 0.00 -1.36 0.00 0.00 31.31 30.09 3cia n TRP 177 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 3cia s ILE 178 N 0.00 -0.57 -0.35 -1.67 1.01 -0.23 -4.89 121.20 114.50 3cia s ILE 178 Ca 0.00 0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.54 3cia s ILE 178 Cb 0.00 -0.61 0.01 0.00 0.01 0.00 0.00 42.46 41.87 3cia s ILE 178 CO 0.00 0.07 1.25 -2.16 0.00 0.00 0.00 174.94 174.10 3cia s PRO 179 N 2.55 3.85 0.11 2.79 0.04 -1.26 -3.90 135.00 139.18 3cia s PRO 179 Ca 0.00 1.04 -0.03 0.00 0.04 0.00 0.00 61.00 62.05 3cia s PRO 179 Cb -0.12 -3.88 0.01 0.00 0.04 0.00 0.00 34.50 30.55 3cia s PRO 179 CO -0.12 -1.21 0.21 1.51 0.04 0.00 0.00 177.00 177.43 3cia n ILE 180 N 6.41 0.00 -3.28 0.56 3.06 -1.17 -4.94 119.36 120.00 3cia n ILE 180 Ca 0.14 -0.32 -0.46 0.00 -2.50 0.00 0.00 62.75 59.61 3cia n ILE 180 Cb 0.47 0.28 -0.01 0.00 0.54 0.00 0.00 39.64 40.92 3cia n ILE 180 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 3cia s GLN 181 N -2.06 3.84 -0.89 9.51 -0.21 -1.26 0.24 119.66 128.82 3cia s GLN 181 Ca 0.05 -2.67 -0.25 0.00 0.02 0.00 0.00 55.36 52.51 3cia s GLN 181 Cb -0.01 -4.55 -0.03 0.00 1.00 0.00 0.00 33.01 29.42 3cia s GLN 181 CO 0.04 -1.34 1.85 0.34 -2.12 0.00 0.00 175.29 174.06 3cia s ASP 182 N 2.03 5.38 -0.09 5.90 2.15 -1.26 -4.77 116.67 126.01 3cia s ASP 182 Ca 0.25 -0.69 -0.12 0.00 0.43 0.00 0.00 52.55 52.41 3cia s ASP 182 Cb -0.09 -2.56 0.03 0.00 -0.30 0.00 0.00 42.92 40.00 3cia s ASP 182 CO -0.08 -2.51 0.33 -0.89 -0.17 0.00 0.00 175.17 171.85 3cia s THR 183 N 9.13 0.02 -1.57 1.71 2.01 -1.26 -4.65 115.64 121.03 3cia s THR 183 Ca 0.65 -0.14 0.26 0.00 0.31 0.00 0.00 61.69 62.77 3cia s THR 183 Cb -0.06 -0.51 0.52 0.00 0.01 0.00 0.00 72.50 72.45 3cia s THR 183 CO 0.00 -0.08 1.87 -2.65 -0.69 0.00 0.00 174.62 173.07 3cia n PRO 184 N 2.42 0.47 0.06 4.92 -0.02 -1.26 -2.75 135.00 138.85 3cia n PRO 184 Ca -0.16 0.04 0.12 0.00 -2.02 0.00 0.00 63.50 61.48 3cia n PRO 184 Cb 0.57 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.67 3cia n PRO 184 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3cia h SER 185 N 0.00 0.00 -3.51 2.55 0.02 -1.78 -3.43 113.55 107.40 3cia h SER 185 Ca 0.00 -0.22 -0.67 0.00 -0.84 0.00 0.00 61.79 60.06 3cia h SER 185 Cb 0.18 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 62.42 3cia h SER 185 CO 0.00 0.11 -0.71 -0.69 -1.14 0.00 0.00 176.83 174.40 3cia s VAL 186 N -3.19 3.23 -0.15 2.27 1.01 -1.11 -4.93 120.40 117.53 3cia s VAL 186 Ca 0.05 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 3cia s VAL 186 Cb 0.13 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 3cia s VAL 186 CO 0.74 0.21 0.08 -0.13 0.00 0.00 0.00 175.10 176.01 3cia s ARG 187 N 1.40 3.66 0.04 2.72 0.52 -1.26 -4.08 118.95 121.94 3cia s ARG 187 Ca 0.02 -0.28 -0.01 0.00 -0.52 0.00 0.00 55.73 54.94 3cia s ARG 187 Cb -0.16 -3.15 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 3cia s ARG 187 CO -0.03 0.51 -0.02 0.14 0.02 0.00 0.00 175.30 175.92 3cia s VAL 188 N -0.29 0.18 0.30 3.52 -7.23 -0.85 -4.65 120.40 111.38 3cia s VAL 188 Ca 0.09 -1.46 0.03 0.00 -1.81 0.00 0.00 61.98 58.83 3cia s VAL 188 Cb -0.12 -1.06 -0.03 0.00 0.56 0.00 0.00 36.38 35.73 3cia s VAL 188 CO 0.01 -0.80 0.46 0.42 -0.31 0.00 0.00 175.10 174.88 3cia s THR 189 N -3.03 5.08 0.03 5.32 -4.23 -1.03 -1.29 115.64 116.50 3cia s THR 189 Ca -0.01 -0.73 -0.01 0.00 -1.18 0.00 0.00 61.69 59.76 3cia s THR 189 Cb 0.01 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 70.00 3cia s THR 189 CO -0.07 -0.43 -0.03 -0.72 -0.54 0.00 0.00 174.62 172.84 3cia s TYR 190 N -2.17 0.36 0.03 3.99 1.13 -0.86 -0.94 117.35 118.90 3cia s TYR 190 Ca 0.38 -0.73 0.03 0.00 -1.41 0.00 0.00 57.07 55.34 3cia s TYR 190 Cb -0.09 -0.26 -0.02 0.00 -1.10 0.00 0.00 41.96 40.48 3cia s TYR 190 CO 0.33 -0.27 -0.10 0.95 -2.51 0.00 0.00 175.55 173.95 3cia s THR 191 N -2.43 0.77 -0.15 -3.49 -4.23 -0.97 -0.23 115.64 104.90 3cia s THR 191 Ca -0.07 -0.87 -0.06 0.00 -1.18 0.00 0.00 61.69 59.51 3cia s THR 191 Cb -0.03 -0.73 0.07 0.00 1.34 0.00 0.00 72.50 73.15 3cia s THR 191 CO -0.05 -0.11 0.33 0.00 -0.54 0.00 0.00 174.62 174.26 3cia s ALA 192 N -0.89 -0.83 -0.44 3.99 0.00 0.11 -2.20 121.76 121.51 3cia s ALA 192 Ca -0.02 1.23 -0.19 0.00 0.00 0.00 0.00 51.96 52.97 3cia s ALA 192 Cb -0.07 -1.04 0.03 0.00 0.00 0.00 0.00 23.12 22.03 3cia s ALA 192 CO 0.01 -0.54 0.55 0.50 0.00 0.00 0.00 175.76 176.28 3cia s ARG 193 N 2.12 3.19 -0.13 0.00 3.00 0.36 -0.28 118.95 127.22 3cia s ARG 193 Ca -0.03 -0.58 -0.03 0.00 -1.00 0.00 0.00 55.73 54.09 3cia s ARG 193 Cb -0.11 -3.97 -0.03 0.00 0.00 0.00 0.00 34.95 30.84 3cia s ARG 193 CO -0.11 -0.96 -0.01 0.42 0.00 0.00 0.00 175.30 174.64 3cia s ILE 194 N 2.51 4.16 -0.13 4.11 -1.09 -0.78 -1.15 121.20 128.84 3cia s ILE 194 Ca 0.18 -0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.32 3cia s ILE 194 Cb -0.16 -2.79 -0.01 0.00 -1.58 0.00 0.00 42.46 37.92 3cia s ILE 194 CO 0.16 0.54 -0.15 -0.89 -1.23 0.00 0.00 174.94 173.37 3cia s THR 195 N -0.17 2.91 0.35 2.92 2.01 -0.48 -2.02 115.64 121.15 3cia s THR 195 Ca 0.04 -0.71 0.07 0.00 0.31 0.00 0.00 61.69 61.40 3cia s THR 195 Cb -0.13 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 3cia s THR 195 CO 0.02 0.53 0.25 0.42 -0.69 0.00 0.00 174.62 175.15 3cia s THR 196 N 0.37 0.11 0.30 -0.82 -4.23 0.53 -0.26 115.64 111.64 3cia s THR 196 Ca -0.12 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.10 3cia s THR 196 Cb -0.16 -2.45 -0.10 0.00 1.34 0.00 0.00 72.50 71.13 3cia s THR 196 CO 0.06 0.00 1.20 -1.81 -0.54 0.00 0.00 174.62 173.53 3cia s ASP 197 N -3.43 7.04 0.84 3.99 1.01 -1.26 -4.56 116.67 120.30 3cia s ASP 197 Ca 0.37 2.46 -0.16 0.00 0.71 0.00 0.00 52.55 55.93 3cia s ASP 197 Cb 0.02 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.26 3cia s ASP 197 CO 0.25 -0.33 0.09 0.29 0.21 0.00 0.00 175.17 175.68 3cia n LYS 198 N 1.08 0.02 -0.87 8.23 5.02 -1.25 -1.48 118.16 128.89 3cia n LYS 198 Ca -0.00 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3cia n LYS 198 Cb 0.43 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3cia n LYS 198 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3cia n ASP 199 N 0.65 -0.55 -4.22 4.39 8.00 -1.25 -4.99 116.55 118.58 3cia n ASP 199 Ca 0.06 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.31 3cia n ASP 199 Cb 0.52 -0.82 -0.14 0.00 -0.02 0.00 0.00 41.12 40.66 3cia n ASP 199 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3cia s LEU 200 N 0.00 2.13 -0.10 0.64 1.02 -0.55 -4.66 118.68 117.16 3cia s LEU 200 Ca 0.00 -0.46 -0.02 0.00 0.02 0.00 0.00 54.13 53.67 3cia s LEU 200 Cb 0.00 -0.95 -0.03 0.00 0.02 0.00 0.00 46.19 45.23 3cia s LEU 200 CO 0.00 0.17 -0.02 -0.22 0.02 0.00 0.00 176.35 176.30 3cia s LEU 201 N -0.94 3.42 -0.07 1.79 2.96 -0.36 -4.38 118.68 121.10 3cia s LEU 201 Ca 0.07 0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 53.99 3cia s LEU 201 Cb -0.08 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 3cia s LEU 201 CO 0.01 0.33 0.10 0.00 -1.32 0.00 0.00 176.35 175.47 3cia s ALA 202 N -0.62 3.68 -0.08 5.97 0.00 -1.26 -2.13 121.76 127.32 3cia s ALA 202 Ca 0.10 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 3cia s ALA 202 Cb -0.12 -1.75 0.04 0.00 0.00 0.00 0.00 23.12 21.29 3cia s ALA 202 CO 0.02 0.65 0.17 0.08 0.00 0.00 0.00 175.76 176.68 3cia s VAL 203 N -1.07 -0.06 0.05 0.00 1.01 -0.12 -5.00 120.40 115.20 3cia s VAL 203 Ca 0.18 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.35 3cia s VAL 203 Cb -0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 3cia s VAL 203 CO 0.08 0.07 0.02 0.23 0.00 0.00 0.00 175.10 175.50 3cia n MET 204 N 4.27 0.78 -2.48 2.72 2.81 -1.26 0.57 117.12 124.53 3cia n MET 204 Ca -0.25 -0.40 -0.41 0.00 -1.81 0.00 0.00 57.70 54.83 3cia n MET 204 Cb 0.52 0.23 0.02 0.00 -0.71 0.00 0.00 33.22 33.29 3cia n MET 204 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3cia n SER 205 N -2.12 7.41 -0.76 7.83 3.41 -1.06 -4.71 113.62 123.61 3cia n SER 205 Ca -0.00 -3.72 0.00 0.00 -0.26 0.00 0.00 58.87 54.88 3cia n SER 205 Cb 0.07 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 62.87 3cia n SER 205 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cia n ALA 206 N -0.17 0.00 -2.69 7.33 0.00 -1.26 -4.72 120.51 119.00 3cia n ALA 206 Ca 0.49 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.53 3cia n ALA 206 Cb 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.65 3cia n ALA 206 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3cia s ASN 207 N -0.36 6.83 0.00 0.00 0.01 -0.08 -4.86 114.94 116.48 3cia s ASN 207 Ca 0.00 1.00 0.00 0.00 -0.71 0.00 0.00 52.86 53.15 3cia s ASN 207 Cb 0.00 -2.37 0.00 0.00 0.41 0.00 0.00 41.25 39.29 3cia s ASN 207 CO 0.00 -0.18 0.00 -0.46 -1.51 0.00 0.00 177.10 174.95 3cia n ASN 208 N 4.37 0.16 0.00 -1.22 0.23 -1.26 -2.68 115.26 114.86 3cia n ASN 208 Ca -0.02 -0.32 0.00 0.00 -0.53 0.00 0.00 54.58 53.72 3cia n ASN 208 Cb 0.51 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 3cia n ASN 208 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3cia n ARG 214 N -0.29 0.00 0.03 -3.83 1.74 -1.26 -5.09 116.66 107.96 3cia n ARG 214 Ca 0.00 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.92 3cia n ARG 214 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 3cia n ARG 214 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3cia h ASP 215 N 0.00 0.75 0.00 0.55 3.04 -1.92 -3.32 116.42 115.52 3cia h ASP 215 Ca 0.00 -0.56 0.00 0.00 -3.24 0.00 0.00 57.03 53.23 3cia h ASP 215 Cb 0.00 -0.23 0.00 0.00 -1.04 0.00 0.00 39.33 38.06 3cia h ASP 215 CO 0.00 1.35 0.00 0.61 -2.04 0.00 0.00 179.24 179.16 3cia n GLY 216 N 0.87 1.10 2.72 7.15 0.00 -1.26 -3.90 105.19 111.86 3cia n GLY 216 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3cia n GLY 216 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3cia s ASP 217 N -1.64 3.91 0.26 1.61 -1.08 -1.26 -0.35 116.67 118.12 3cia s ASP 217 Ca 0.00 -1.89 0.11 0.00 -0.52 0.00 0.00 52.55 50.25 3cia s ASP 217 Cb 0.00 -0.89 -0.05 0.00 -1.46 0.00 0.00 42.92 40.52 3cia s ASP 217 CO 0.00 -0.38 -0.16 -0.31 0.52 0.00 0.00 175.17 174.84 3cia s TYR 218 N 1.30 2.40 -0.06 -5.34 1.51 -0.86 -5.04 117.35 111.26 3cia s TYR 218 Ca 0.12 -0.30 -0.05 0.00 -1.01 0.00 0.00 57.07 55.83 3cia s TYR 218 Cb -0.19 -1.07 0.02 0.00 -0.11 0.00 0.00 41.96 40.61 3cia s TYR 218 CO -0.18 0.66 0.15 0.12 -1.11 0.00 0.00 175.55 175.18 3cia s PHE 219 N -2.30 -0.17 0.23 2.71 5.36 -1.26 -1.86 117.98 120.70 3cia s PHE 219 Ca 0.29 0.42 0.11 0.00 -0.96 0.00 0.00 56.93 56.79 3cia s PHE 219 Cb -0.06 0.02 -0.05 0.00 -0.34 0.00 0.00 43.02 42.60 3cia s PHE 219 CO 0.15 -0.10 -0.21 -0.06 -1.46 0.00 0.00 175.22 173.55 3cia s PHE 220 N 0.36 2.18 -0.11 10.12 0.40 0.62 -4.85 117.98 126.71 3cia s PHE 220 Ca -0.02 -0.38 -0.04 0.00 -0.60 0.00 0.00 56.93 55.89 3cia s PHE 220 Cb -0.04 -1.01 0.05 0.00 0.51 0.00 0.00 43.02 42.54 3cia s PHE 220 CO -0.01 0.57 0.16 0.45 0.70 0.00 0.00 175.22 177.08 3cia s SER 221 N -3.12 1.02 -0.39 1.36 0.15 -1.09 0.07 113.70 111.70 3cia s SER 221 Ca 0.25 0.15 -0.04 0.00 0.70 0.00 0.00 55.95 57.01 3cia s SER 221 Cb -0.06 0.22 0.09 0.00 -1.71 0.00 0.00 66.02 64.57 3cia s SER 221 CO 0.12 -0.27 0.17 -0.32 1.20 0.00 0.00 173.24 174.14 3cia s MET 222 N 2.28 2.18 0.00 5.44 0.00 0.68 -0.91 119.30 128.97 3cia s MET 222 Ca 0.04 -1.65 0.20 0.00 0.00 0.00 0.00 55.69 54.27 3cia s MET 222 Cb -0.13 -3.53 0.91 0.00 0.00 0.00 0.00 34.83 32.09 3cia s MET 222 CO -0.07 -0.96 1.62 -0.35 0.00 0.00 0.00 175.02 175.26 3cia n PRO 223 N 4.65 1.38 -3.74 4.11 -0.04 -1.26 -2.02 135.00 138.07 3cia n PRO 223 Ca -0.06 -0.57 -0.37 0.00 -0.04 0.00 0.00 63.50 62.47 3cia n PRO 223 Cb 0.42 -1.34 -0.12 0.00 -0.04 0.00 0.00 33.50 32.42 3cia n PRO 223 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3cia s GLN 224 N -1.89 3.71 0.03 0.54 -1.52 -1.26 -4.98 119.66 114.29 3cia s GLN 224 Ca 0.30 -0.45 -0.30 0.00 -1.95 0.00 0.00 55.36 52.96 3cia s GLN 224 Cb 0.15 -3.37 -0.09 0.00 -0.22 0.00 0.00 33.01 29.48 3cia s GLN 224 CO 0.24 -0.17 1.98 0.00 -0.25 0.00 0.00 175.29 177.09 3cia s ALA 225 N 1.58 3.54 0.06 6.09 0.00 -1.26 -4.62 121.76 127.16 3cia s ALA 225 Ca 0.06 1.30 0.04 0.00 0.00 0.00 0.00 51.96 53.36 3cia s ALA 225 Cb -0.15 -3.86 -0.03 0.00 0.00 0.00 0.00 23.12 19.09 3cia s ALA 225 CO 0.05 -1.63 -0.12 0.96 0.00 0.00 0.00 175.76 175.02 3cia s ILE 226 N 4.63 0.93 0.31 0.00 -4.36 -0.41 -4.74 121.20 117.55 3cia s ILE 226 Ca 0.89 -1.25 -0.29 0.00 -0.26 0.00 0.00 60.65 59.74 3cia s ILE 226 Cb -0.42 -0.94 -0.10 0.00 1.25 0.00 0.00 42.46 42.25 3cia s ILE 226 CO 0.41 -0.29 1.20 -2.16 0.24 0.00 0.00 174.94 174.35 3cia s PRO 227 N -1.73 4.48 0.54 0.37 0.04 -1.26 -2.01 135.00 135.43 3cia s PRO 227 Ca -0.04 2.01 0.49 0.00 0.04 0.00 0.00 61.00 63.49 3cia s PRO 227 Cb -0.10 -3.12 1.70 0.00 0.04 0.00 0.00 34.50 33.02 3cia s PRO 227 CO 0.02 0.00 1.53 -2.30 0.04 0.00 0.00 177.00 176.29 3cia n PRO 228 N 0.96 -0.00 0.00 0.56 -0.02 -1.26 -0.90 135.00 134.34 3cia n PRO 228 Ca -0.00 1.08 0.07 0.00 -2.02 0.00 0.00 63.50 62.63 3cia n PRO 228 Cb 0.43 -2.46 0.37 0.00 -0.02 0.00 0.00 33.50 31.83 3cia n PRO 228 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3cia n TYR 229 N -3.93 0.00 0.92 6.00 0.18 -1.26 -1.39 117.16 117.67 3cia n TYR 229 Ca 0.44 0.00 0.10 0.00 1.88 0.00 0.00 57.90 60.32 3cia n TYR 229 Cb 1.97 -0.32 -0.00 0.00 -0.38 0.00 0.00 39.34 40.61 3cia n TYR 229 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3cia n LEU 230 N -1.32 1.94 -4.66 -3.48 4.77 -0.08 -4.14 117.00 110.03 3cia n LEU 230 Ca 0.07 -0.77 -0.43 0.00 -0.03 0.00 0.00 56.01 54.85 3cia n LEU 230 Cb 0.13 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 3cia n LEU 230 CO 0.12 0.36 1.02 -0.63 -1.33 0.00 0.00 177.39 176.93 3cia s ILE 231 N -2.31 4.41 0.05 -0.08 1.01 -0.49 -4.40 121.20 119.39 3cia s ILE 231 Ca 0.17 1.70 0.02 0.00 0.00 0.00 0.00 60.65 62.55 3cia s ILE 231 Cb 0.17 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 3cia s ILE 231 CO 0.52 -0.13 -0.08 0.00 0.00 0.00 0.00 174.94 175.25 3cia s ALA 232 N 3.24 0.69 -0.06 9.38 0.00 -1.26 -4.72 121.76 129.03 3cia s ALA 232 Ca 0.52 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.55 3cia s ALA 232 Cb -0.20 0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.98 3cia s ALA 232 CO 0.13 -0.02 0.17 -1.50 0.00 0.00 0.00 175.76 174.54 3cia s ILE 233 N -1.64 -0.00 -0.02 0.00 2.07 -1.26 -2.58 121.20 117.77 3cia s ILE 233 Ca -0.06 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.19 3cia s ILE 233 Cb -0.08 -0.25 0.01 0.00 0.13 0.00 0.00 42.46 42.27 3cia s ILE 233 CO 0.00 0.00 -0.05 -0.83 -1.91 0.00 0.00 174.94 172.15 3cia s GLY 234 N 0.11 0.35 -0.05 1.50 0.00 0.19 -0.78 107.32 108.64 3cia s GLY 234 Ca -0.00 -0.12 0.01 0.00 0.00 0.00 0.00 44.72 44.60 3cia s GLY 234 CO 0.00 0.14 -0.04 0.14 0.00 0.00 0.00 173.10 173.34 3cia s VAL 235 N 0.41 0.54 0.00 1.40 1.01 0.33 -0.95 120.40 123.14 3cia s VAL 235 Ca -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3cia s VAL 235 Cb -0.09 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.71 3cia s VAL 235 CO -0.00 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.95 3cia n GLY 236 N 4.27 0.54 3.34 4.51 0.00 -0.91 0.91 105.19 117.85 3cia n GLY 236 Ca -0.21 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 3cia n GLY 236 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cia n ASP 237 N -0.04 4.54 -4.86 1.61 4.64 -1.26 -1.23 116.55 119.95 3cia n ASP 237 Ca 0.00 -2.89 -0.37 0.00 -1.38 0.00 0.00 54.79 50.16 3cia n ASP 237 Cb 0.00 -1.71 -0.06 0.00 -1.04 0.00 0.00 41.12 38.31 3cia n ASP 237 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3cia s LEU 238 N 3.87 4.42 0.28 -2.67 1.43 -1.26 -4.42 118.68 120.33 3cia s LEU 238 Ca 0.53 0.76 0.11 0.00 -1.03 0.00 0.00 54.13 54.50 3cia s LEU 238 Cb 0.07 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 3cia s LEU 238 CO 0.04 0.31 -0.13 -1.61 0.23 0.00 0.00 176.35 175.18 3cia s GLU 239 N -1.32 1.86 -0.02 1.70 0.41 -0.41 -4.89 118.70 116.03 3cia s GLU 239 Ca 0.24 -1.69 0.00 0.00 -0.41 0.00 0.00 54.97 53.11 3cia s GLU 239 Cb -0.15 -1.87 0.03 0.00 -1.78 0.00 0.00 34.13 30.36 3cia s GLU 239 CO 0.13 0.32 0.02 0.12 -0.49 0.00 0.00 175.26 175.35 3cia s PHE 240 N -2.47 0.07 0.01 1.61 5.36 -1.26 -1.97 117.98 119.34 3cia s PHE 240 Ca 0.31 0.10 0.03 0.00 -0.96 0.00 0.00 56.93 56.40 3cia s PHE 240 Cb -0.05 -0.24 -0.01 0.00 -0.34 0.00 0.00 43.02 42.38 3cia s PHE 240 CO 0.17 -0.09 -0.10 0.15 -1.46 0.00 0.00 175.22 173.89 3cia s LYS 241 N 0.96 0.70 0.32 10.12 1.02 -0.96 -5.01 119.74 126.90 3cia s LYS 241 Ca -0.08 -0.50 -0.01 0.00 0.02 0.00 0.00 55.97 55.41 3cia s LYS 241 Cb -0.12 -0.65 0.07 0.00 -0.52 0.00 0.00 37.83 36.60 3cia s LYS 241 CO -0.03 0.17 0.45 0.00 -0.92 0.00 0.00 175.35 175.02 3cia n ALA 242 N 2.37 0.03 0.00 5.17 0.00 -1.26 -1.34 120.51 125.48 3cia n ALA 242 Ca -0.16 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.43 3cia n ALA 242 Cb 0.56 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.14 3cia n ALA 242 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3cia n MET 243 N -1.83 0.00 -0.44 0.00 0.00 0.27 -4.84 117.12 110.28 3cia n MET 243 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.77 3cia n MET 243 Cb 0.26 -0.34 0.00 0.00 0.00 0.00 0.00 33.22 33.13 3cia n MET 243 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3cia n SER 244 N -2.06 1.45 0.20 7.83 3.41 -1.02 -5.00 113.62 118.42 3cia n SER 244 Ca 0.00 -0.22 0.09 0.00 -0.26 0.00 0.00 58.87 58.48 3cia n SER 244 Cb 0.07 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.18 3cia n SER 244 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 3cia h HIS 245 N 0.22 0.00 0.00 7.33 2.07 -2.02 -3.34 115.15 119.41 3cia h HIS 245 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3cia h HIS 245 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 3cia h HIS 245 CO 0.00 0.19 -0.21 0.00 -3.07 0.00 0.00 177.93 174.84 3cia n GLN 246 N -3.16 0.77 -3.91 5.12 10.64 -1.26 -5.05 117.38 120.53 3cia n GLN 246 Ca 0.03 -1.67 -0.14 0.00 -1.83 0.00 0.00 57.00 53.38 3cia n GLN 246 Cb 0.58 -0.96 -0.15 0.00 -0.86 0.00 0.00 30.24 28.85 3cia n GLN 246 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 3cia s THR 247 N -1.30 0.09 0.34 -0.39 -4.23 -1.26 -0.94 115.64 107.95 3cia s THR 247 Ca 0.14 0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 60.59 3cia s THR 247 Cb 0.12 -0.14 0.02 0.00 1.34 0.00 0.00 72.50 73.84 3cia s THR 247 CO 0.01 0.07 0.57 -0.83 -0.54 0.00 0.00 174.62 173.90 3cia s GLY 248 N 0.43 0.99 0.02 3.99 0.00 -1.20 -0.57 107.32 110.99 3cia s GLY 248 Ca -0.04 -1.17 0.04 0.00 0.00 0.00 0.00 44.72 43.54 3cia s GLY 248 CO -0.01 -0.73 -0.11 -0.42 0.00 0.00 0.00 173.10 171.84 3cia s ILE 249 N -3.02 0.84 -0.10 0.90 1.01 -0.45 -0.56 121.20 119.82 3cia s ILE 249 Ca 0.25 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.16 3cia s ILE 249 Cb -0.02 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.68 3cia s ILE 249 CO 0.16 0.01 -0.24 -0.31 0.00 0.00 0.00 174.94 174.56 3cia s TYR 250 N -0.69 2.57 0.10 3.97 1.51 0.03 -2.27 117.35 122.56 3cia s TYR 250 Ca 0.00 -1.07 -0.05 0.00 -1.01 0.00 0.00 57.07 54.95 3cia s TYR 250 Cb -0.06 -1.72 0.02 0.00 -0.11 0.00 0.00 41.96 40.09 3cia s TYR 250 CO 0.00 -0.43 0.25 0.00 -1.11 0.00 0.00 175.55 174.26 3cia n ALA 251 N 3.56 -0.59 -0.90 3.71 0.00 -0.83 -2.16 120.51 123.30 3cia n ALA 251 Ca -0.19 -0.35 -0.22 0.00 0.00 0.00 0.00 53.44 52.68 3cia n ALA 251 Cb 0.53 0.26 0.13 0.00 0.00 0.00 0.00 19.45 20.37 3cia n ALA 251 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3cia n GLU 252 N -0.17 2.10 0.00 0.00 1.02 -1.26 -1.29 120.64 121.04 3cia n GLU 252 Ca -0.02 -2.50 0.00 0.00 -0.02 0.00 0.00 57.16 54.62 3cia n GLU 252 Cb 0.17 -1.98 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 3cia n GLU 252 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3cia n SER 253 N -0.75 0.00 -0.34 1.62 7.64 -1.26 -4.48 113.62 116.05 3cia n SER 253 Ca 0.49 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.37 3cia n SER 253 Cb 1.26 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 64.60 3cia n SER 253 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 3cia h TYR 254 N 0.00 1.13 -0.01 1.43 -0.00 -1.97 -2.61 116.97 114.95 3cia h TYR 254 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.76 3cia h TYR 254 Cb 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 36.73 36.35 3cia h TYR 254 CO 0.00 0.64 -0.53 1.51 -0.00 0.00 0.00 178.16 179.78 3cia n ILE 255 N -4.50 0.00 0.14 -0.90 3.06 -1.26 -4.66 119.36 111.23 3cia n ILE 255 Ca 0.13 -0.23 -0.11 0.00 -2.50 0.00 0.00 62.75 60.03 3cia n ILE 255 Cb 0.11 1.17 -0.06 0.00 0.54 0.00 0.00 39.64 41.40 3cia n ILE 255 CO 0.00 0.00 0.00 0.25 -2.50 0.00 0.00 176.55 174.30 3cia h LEU 256 N 1.61 -0.92 -1.41 9.51 5.85 -1.78 0.25 115.31 128.42 3cia h LEU 256 Ca 0.00 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3cia h LEU 256 Cb 0.61 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 3cia h LEU 256 CO 0.00 -0.39 -0.05 0.44 -0.34 0.00 0.00 178.44 178.10 3cia h ASP 257 N -0.57 0.00 0.62 1.25 3.32 -1.83 -1.83 116.42 117.37 3cia h ASP 257 Ca -0.03 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.77 3cia h ASP 257 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3cia h ASP 257 CO -0.09 0.05 -1.15 0.00 -1.72 0.00 0.00 179.24 176.33 3cia h ALA 258 N 1.95 0.19 -0.23 3.45 0.00 -1.79 -2.62 119.26 120.20 3cia h ALA 258 Ca -0.00 -0.85 -0.17 0.00 0.00 0.00 0.00 54.91 53.89 3cia h ALA 258 Cb 0.55 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3cia h ALA 258 CO 0.01 0.97 -0.55 0.00 0.00 0.00 0.00 179.25 179.67 3cia h ALA 259 N 0.67 0.59 0.00 0.00 0.00 -0.47 -2.48 119.26 117.57 3cia h ALA 259 Ca -0.11 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.18 3cia h ALA 259 Cb 1.86 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 3cia h ALA 259 CO 0.19 0.69 -0.51 0.28 0.00 0.00 0.00 179.25 179.89 3cia h VAL 260 N 0.54 1.11 0.00 0.00 2.07 -1.32 -2.07 116.25 116.59 3cia h VAL 260 Ca 0.01 -1.94 -0.04 0.00 0.82 0.00 0.00 66.70 65.55 3cia h VAL 260 Cb 1.12 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 3cia h VAL 260 CO 0.11 0.50 -0.21 0.00 0.02 0.00 0.00 177.57 177.99 3cia h ALA 261 N 1.49 0.96 0.05 1.67 0.00 -1.42 -3.24 119.26 118.77 3cia h ALA 261 Ca -0.01 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.41 3cia h ALA 261 Cb 1.09 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3cia h ALA 261 CO 0.07 0.27 -1.61 1.49 0.00 0.00 0.00 179.25 179.47 3cia h GLU 262 N 0.00 0.11 -0.01 0.00 4.57 -0.91 -3.39 114.58 114.94 3cia h GLU 262 Ca -0.00 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 3cia h GLU 262 Cb 0.84 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.50 3cia h GLU 262 CO 0.03 0.84 -0.17 1.19 -1.18 0.00 0.00 179.01 179.72 3cia n PHE 263 N -3.27 0.05 0.77 0.92 3.72 -0.91 -4.72 117.46 114.02 3cia n PHE 263 Ca -0.17 -1.18 0.00 0.00 -0.05 0.00 0.00 57.45 56.05 3cia n PHE 263 Cb 1.03 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 39.38 3cia n PHE 263 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3cia n ASP 264 N -1.30 0.90 -0.00 4.37 3.85 -1.22 -1.11 116.55 122.03 3cia n ASP 264 Ca 0.18 -1.54 0.04 0.00 -0.71 0.00 0.00 54.79 52.75 3cia n ASP 264 Cb 0.67 -0.39 -0.05 0.00 -1.35 0.00 0.00 41.12 40.00 3cia n ASP 264 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3cia n ASP 265 N 0.16 1.44 0.01 -1.12 8.00 -1.26 -4.68 116.55 119.10 3cia n ASP 265 Ca 0.00 -0.42 0.06 0.00 0.71 0.00 0.00 54.79 55.13 3cia n ASP 265 Cb 0.21 1.15 0.46 0.00 -0.02 0.00 0.00 41.12 42.91 3cia n ASP 265 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3cia h THR 266 N 0.00 1.06 -0.91 -3.53 1.35 -1.50 0.27 112.91 109.65 3cia h THR 266 Ca 0.00 -0.17 0.13 0.00 -0.55 0.00 0.00 66.41 65.82 3cia h THR 266 Cb 0.26 0.54 -0.07 0.00 -1.73 0.00 0.00 68.15 67.15 3cia h THR 266 CO 0.00 0.09 0.58 -0.61 -0.25 0.00 0.00 175.52 175.33 3cia h GLN 267 N 0.48 0.78 -0.34 4.72 5.75 -1.83 -1.43 115.11 123.24 3cia h GLN 267 Ca 0.16 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.53 3cia h GLN 267 Cb 0.04 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 3cia h GLN 267 CO -0.04 0.52 -0.09 0.00 -2.65 0.00 0.00 178.83 176.57 3cia h ALA 268 N 1.58 0.47 -0.80 3.38 0.00 -0.84 -2.69 119.26 120.36 3cia h ALA 268 Ca 0.45 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 55.20 3cia h ALA 268 Cb 0.58 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.16 3cia h ALA 268 CO -0.21 0.32 0.35 0.52 0.00 0.00 0.00 179.25 180.23 3cia h MET 269 N 0.44 0.49 0.00 0.00 2.86 -0.25 -0.27 114.93 118.20 3cia h MET 269 Ca 0.08 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.57 3cia h MET 269 Cb 0.60 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 3cia h MET 269 CO 0.04 0.32 -0.59 0.82 1.06 0.00 0.00 176.91 178.55 3cia h ILE 270 N 0.50 1.39 0.08 -1.22 2.04 -1.07 0.59 117.51 119.82 3cia h ILE 270 Ca 0.44 -2.07 -0.31 0.00 1.00 0.00 0.00 64.86 63.93 3cia h ILE 270 Cb 0.67 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 3cia h ILE 270 CO -0.40 0.58 -1.64 0.44 0.00 0.00 0.00 178.15 177.13 3cia h ASP 271 N 0.00 0.27 0.17 1.72 3.45 -1.14 -1.25 116.42 119.65 3cia h ASP 271 Ca -0.01 -0.45 -0.16 0.00 0.43 0.00 0.00 57.03 56.84 3cia h ASP 271 Cb 1.08 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.75 3cia h ASP 271 CO 0.08 1.39 -0.60 0.11 -1.57 0.00 0.00 179.24 178.64 3cia h LYS 272 N 0.05 0.43 -0.29 3.56 1.79 -1.08 -2.95 116.57 118.07 3cia h LYS 272 Ca -0.28 -0.29 -0.12 0.00 -2.18 0.00 0.00 60.65 57.78 3cia h LYS 272 Cb 2.01 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 32.68 3cia h LYS 272 CO 0.12 0.90 -0.31 0.00 -1.08 0.00 0.00 179.45 179.08 3cia h ALA 273 N 1.03 0.91 0.00 3.86 0.00 -0.92 -2.92 119.26 121.23 3cia h ALA 273 Ca -0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 3cia h ALA 273 Cb 1.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3cia h ALA 273 CO 0.10 0.62 -0.39 0.93 0.00 0.00 0.00 179.25 180.52 3cia h GLU 274 N 0.53 0.00 -0.48 0.00 5.08 -1.26 -1.21 114.58 117.24 3cia h GLU 274 Ca 0.06 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 3cia h GLU 274 Cb 0.79 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 3cia h GLU 274 CO 0.07 0.39 0.09 1.96 -1.00 0.00 0.00 179.01 180.51 3cia h GLN 275 N 0.00 0.74 0.00 2.33 4.20 -1.33 -2.76 115.11 118.29 3cia h GLN 275 Ca -0.00 -0.15 -0.30 0.00 0.06 0.00 0.00 58.65 58.25 3cia h GLN 275 Cb 0.80 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.41 3cia h GLN 275 CO 0.05 0.69 -2.14 0.00 -0.67 0.00 0.00 178.83 176.77 3cia n MET 276 N -4.27 0.86 0.00 1.46 0.00 -1.21 -4.73 117.12 109.23 3cia n MET 276 Ca 0.03 0.07 0.12 0.00 0.00 0.00 0.00 57.70 57.92 3cia n MET 276 Cb 0.23 -1.41 0.09 0.00 0.00 0.00 0.00 33.22 32.13 3cia n MET 276 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3cia n TYR 277 N -2.90 0.00 0.00 3.17 0.53 -0.46 -4.60 117.16 112.90 3cia n TYR 277 Ca -0.32 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.56 3cia n TYR 277 Cb 0.94 -0.00 0.00 0.00 -1.03 0.00 0.00 39.34 39.25 3cia n TYR 277 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3cia n GLY 278 N 1.37 0.74 3.77 2.72 0.00 -1.04 -4.83 105.19 107.91 3cia n GLY 278 Ca 0.13 -2.11 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 3cia n GLY 278 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cia s LYS 279 N -1.27 3.69 -0.95 1.61 2.20 -1.26 -4.14 119.74 119.62 3cia s LYS 279 Ca 0.00 1.96 -0.24 0.00 -0.36 0.00 0.00 55.97 57.33 3cia s LYS 279 Cb 0.00 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.86 3cia s LYS 279 CO 0.00 -0.66 1.69 -0.47 -0.36 0.00 0.00 175.35 175.55 3cia s TYR 280 N -1.42 2.17 -2.00 4.03 5.04 -1.26 -4.85 117.35 119.05 3cia s TYR 280 Ca 0.63 -0.10 0.00 0.00 -2.44 0.00 0.00 57.07 55.16 3cia s TYR 280 Cb -0.33 -4.38 0.02 0.00 0.35 0.00 0.00 41.96 37.62 3cia s TYR 280 CO 0.41 -1.86 0.33 0.54 -1.34 0.00 0.00 175.55 173.63 3cia n ARG 281 N 8.89 0.31 0.00 4.97 1.74 -1.26 -3.55 116.66 127.76 3cia n ARG 281 Ca 0.35 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.50 3cia n ARG 281 Cb 0.49 -1.02 0.03 0.00 -1.02 0.00 0.00 32.46 30.95 3cia n ARG 281 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3cia n TRP 282 N -0.52 0.00 0.00 -1.55 7.02 -1.26 -5.03 117.44 116.10 3cia n TRP 282 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3cia n TRP 282 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 3cia n TRP 282 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3cia n GLY 283 N 0.85 1.98 3.44 6.99 0.00 -1.23 -4.85 105.19 112.37 3cia n GLY 283 Ca 0.07 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 3cia n GLY 283 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cia s ARG 284 N 0.00 1.58 -0.23 1.61 3.52 -1.26 -4.86 118.95 119.30 3cia s ARG 284 Ca 0.00 -1.64 -0.04 0.00 -0.13 0.00 0.00 55.73 53.91 3cia s ARG 284 Cb 0.00 -1.74 0.08 0.00 -1.56 0.00 0.00 34.95 31.73 3cia s ARG 284 CO 0.00 0.35 0.11 -0.47 -0.81 0.00 0.00 175.30 174.47 3cia s TYR 285 N -2.17 0.35 0.45 5.12 5.04 -0.11 -4.39 117.35 121.64 3cia s TYR 285 Ca 0.25 -0.66 0.07 0.00 -2.44 0.00 0.00 57.07 54.29 3cia s TYR 285 Cb -0.06 -0.84 -0.02 0.00 0.35 0.00 0.00 41.96 41.39 3cia s TYR 285 CO 0.12 -0.68 0.29 -0.51 -1.34 0.00 0.00 175.55 173.43 3cia s ASP 286 N 2.09 4.64 -0.05 4.32 1.01 -0.44 -3.21 116.67 125.02 3cia s ASP 286 Ca 0.05 -1.06 0.03 0.00 0.71 0.00 0.00 52.55 52.29 3cia s ASP 286 Cb -0.16 -0.22 0.00 0.00 1.01 0.00 0.00 42.92 43.55 3cia s ASP 286 CO -0.22 -0.74 -0.15 -0.76 0.21 0.00 0.00 175.17 173.51 3cia s LEU 287 N -4.07 1.81 -0.30 1.23 1.02 0.28 -1.69 118.68 116.97 3cia s LEU 287 Ca 0.40 -0.33 0.03 0.00 0.02 0.00 0.00 54.13 54.25 3cia s LEU 287 Cb 0.00 -0.90 0.08 0.00 0.02 0.00 0.00 46.19 45.40 3cia s LEU 287 CO 0.23 0.10 -0.02 -0.22 0.02 0.00 0.00 176.35 176.45 3cia s LEU 288 N 0.32 3.97 -0.13 1.79 2.96 0.24 -0.79 118.68 127.03 3cia s LEU 288 Ca -0.09 -1.75 -0.29 0.00 -0.22 0.00 0.00 54.13 51.77 3cia s LEU 288 Cb -0.13 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 3cia s LEU 288 CO 0.03 -0.29 1.12 -0.04 -1.32 0.00 0.00 176.35 175.85 3cia s MET 289 N 1.04 4.33 0.50 1.98 -1.94 -0.92 -0.07 119.30 124.24 3cia s MET 289 Ca 0.01 1.52 0.01 0.00 -1.71 0.00 0.00 55.69 55.53 3cia s MET 289 Cb -0.19 -3.61 0.02 0.00 2.01 0.00 0.00 34.83 33.06 3cia s MET 289 CO -0.07 -0.49 0.72 -0.51 -0.01 0.00 0.00 175.02 174.65 3cia s LEU 290 N 2.59 3.44 0.76 -0.03 1.02 0.03 -4.73 118.68 121.77 3cia s LEU 290 Ca 0.51 0.07 -0.11 0.00 0.02 0.00 0.00 54.13 54.62 3cia s LEU 290 Cb -0.20 -2.96 0.05 0.00 0.02 0.00 0.00 46.19 43.10 3cia s LEU 290 CO 0.16 -0.95 1.10 -2.16 0.02 0.00 0.00 176.35 174.52 3cia s PRO 291 N -4.65 2.31 0.00 1.29 0.04 -1.26 -4.15 135.00 128.58 3cia s PRO 291 Ca 0.54 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.78 3cia s PRO 291 Cb -0.10 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.54 3cia s PRO 291 CO 0.38 -1.61 0.63 -2.30 0.04 0.00 0.00 177.00 174.14 3cia n PRO 292 N -3.37 0.00 0.21 0.56 -0.02 -1.26 -0.98 135.00 130.14 3cia n PRO 292 Ca 0.09 0.16 0.11 0.00 -2.02 0.00 0.00 63.50 61.84 3cia n PRO 292 Cb 0.53 -1.78 0.19 0.00 -0.02 0.00 0.00 33.50 32.41 3cia n PRO 292 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3cia h SER 293 N 0.00 0.00 -1.78 2.55 0.87 -1.88 -3.10 113.55 110.21 3cia h SER 293 Ca 0.00 0.00 -0.68 0.00 -1.23 0.00 0.00 61.79 59.88 3cia h SER 293 Cb 0.56 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.54 3cia h SER 293 CO 0.00 0.08 0.91 0.33 -0.53 0.00 0.00 176.83 177.62 3cia n PHE 294 N -3.12 2.10 0.12 2.24 7.35 -0.15 -3.91 117.46 122.09 3cia n PHE 294 Ca 0.03 0.34 0.01 0.00 -0.76 0.00 0.00 57.45 57.08 3cia n PHE 294 Cb 0.55 -2.52 0.34 0.00 0.35 0.00 0.00 39.48 38.20 3cia n PHE 294 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 3cia h PRO 295 N 7.47 0.22 0.00 -7.13 0.13 -1.90 -3.21 132.00 127.58 3cia h PRO 295 Ca -0.47 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 3cia h PRO 295 Cb 1.30 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3cia h PRO 295 CO 0.93 0.44 0.00 1.19 -0.23 0.00 0.00 178.00 180.33 3cia n PHE 296 N -4.19 -0.78 -0.07 1.56 3.01 -1.26 0.77 117.46 116.49 3cia n PHE 296 Ca -0.01 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.40 3cia n PHE 296 Cb 0.34 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.66 3cia n PHE 296 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3cia n GLY 297 N 5.00 -0.89 0.00 1.37 0.00 -1.26 -4.67 105.19 104.74 3cia n GLY 297 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3cia n GLY 297 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cia n GLY 298 N 1.80 2.57 3.52 -0.02 0.00 -1.26 -2.63 105.19 109.17 3cia n GLY 298 Ca -0.24 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 3cia n GLY 298 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3cia s MET 299 N -1.94 3.22 -0.68 1.61 1.75 -0.76 -4.93 119.30 117.58 3cia s MET 299 Ca 0.00 -0.55 -0.07 0.00 -1.25 0.00 0.00 55.69 53.81 3cia s MET 299 Cb 0.00 -2.73 -0.18 0.00 2.84 0.00 0.00 34.83 34.76 3cia s MET 299 CO 0.00 0.43 3.19 -0.85 -0.65 0.00 0.00 175.02 177.14 3cia n GLU 300 N 2.94 2.59 -2.34 4.11 0.00 -1.26 -1.63 120.64 125.06 3cia n GLU 300 Ca -0.18 -1.45 -0.43 0.00 0.00 0.00 0.00 57.16 55.10 3cia n GLU 300 Cb 0.53 -2.32 -0.02 0.00 0.00 0.00 0.00 31.44 29.63 3cia n GLU 300 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 3cia s ASN 301 N 2.18 6.89 0.00 -1.84 0.02 -1.25 -4.89 114.94 116.06 3cia s ASN 301 Ca 0.64 1.83 -0.39 0.00 -1.02 0.00 0.00 52.86 53.92 3cia s ASN 301 Cb 0.24 -2.54 -0.19 0.00 0.02 0.00 0.00 41.25 38.79 3cia s ASN 301 CO -0.02 -0.78 1.21 -0.81 0.02 0.00 0.00 177.10 176.72 3cia n PRO 302 N 6.55 0.45 0.00 -0.60 -0.04 -1.26 -0.12 135.00 139.98 3cia n PRO 302 Ca 0.14 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 3cia n PRO 302 Cb 0.44 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 3cia n PRO 302 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3cia n ARG 303 N 2.10 0.00 -3.38 0.54 1.74 -1.26 -4.24 116.66 112.16 3cia n ARG 303 Ca 0.20 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.09 3cia n ARG 303 Cb 0.12 -2.32 -0.08 0.00 -1.02 0.00 0.00 32.46 29.15 3cia n ARG 303 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3cia s LEU 304 N 0.00 0.13 -0.03 0.55 1.98 0.83 -1.33 118.68 120.81 3cia s LEU 304 Ca 0.00 -1.70 -0.30 0.00 -2.89 0.00 0.00 54.13 49.24 3cia s LEU 304 Cb 0.00 0.39 -0.03 0.00 0.66 0.00 0.00 46.19 47.21 3cia s LEU 304 CO 0.00 -0.27 1.01 -0.44 -1.89 0.00 0.00 176.35 174.76 3cia s SER 305 N 1.35 7.30 -0.53 3.68 0.01 -0.68 -3.75 113.70 121.09 3cia s SER 305 Ca 0.17 1.64 -0.26 0.00 1.31 0.00 0.00 55.95 58.81 3cia s SER 305 Cb -0.17 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.53 3cia s SER 305 CO -0.02 -0.35 1.02 -0.36 0.41 0.00 0.00 173.24 173.95 3cia s PHE 306 N 1.39 2.78 -0.02 2.43 0.40 -0.65 -0.59 117.98 123.72 3cia s PHE 306 Ca 0.51 0.29 0.00 0.00 -0.60 0.00 0.00 56.93 57.13 3cia s PHE 306 Cb -0.21 -4.20 -0.04 0.00 0.51 0.00 0.00 43.02 39.09 3cia s PHE 306 CO 0.24 -1.34 0.02 0.42 0.70 0.00 0.00 175.22 175.27 3cia s ILE 307 N 4.21 4.32 0.34 0.64 -1.09 0.90 -1.82 121.20 128.70 3cia s ILE 307 Ca 0.37 -0.48 -0.26 0.00 -2.23 0.00 0.00 60.65 58.06 3cia s ILE 307 Cb -0.10 -2.91 -0.10 0.00 -1.58 0.00 0.00 42.46 37.77 3cia s ILE 307 CO 0.24 0.42 0.99 0.28 -1.23 0.00 0.00 174.94 175.64 3cia s THR 308 N -1.07 3.99 -0.10 2.92 -1.32 -1.08 -0.79 115.64 118.19 3cia s THR 308 Ca 0.19 1.65 0.30 0.00 -1.21 0.00 0.00 61.69 62.62 3cia s THR 308 Cb -0.12 -3.92 0.33 0.00 -1.51 0.00 0.00 72.50 67.29 3cia s THR 308 CO 0.09 0.14 1.89 1.55 -2.21 0.00 0.00 174.62 176.08 3cia h PRO 309 N 3.07 0.00 0.00 7.08 0.13 -1.86 -3.09 132.00 137.33 3cia h PRO 309 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3cia h PRO 309 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3cia h PRO 309 CO 0.64 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.66 3cia n THR 310 N -2.71 1.69 0.83 1.56 -2.24 -1.26 -2.20 114.28 109.95 3cia n THR 310 Ca 0.01 0.48 0.10 0.00 -2.27 0.00 0.00 64.05 62.37 3cia n THR 310 Cb 0.24 -1.44 -0.13 0.00 -2.10 0.00 0.00 70.33 66.91 3cia n THR 310 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3cia n VAL 311 N -1.62 0.00 -2.64 2.28 0.24 -1.17 -4.63 118.33 110.79 3cia n VAL 311 Ca 0.00 -0.08 -0.42 0.00 -2.04 0.00 0.00 64.34 61.80 3cia n VAL 311 Cb 0.04 0.83 -0.01 0.00 -1.47 0.00 0.00 33.84 33.22 3cia n VAL 311 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3cia s VAL 312 N -3.09 4.18 -0.09 3.34 1.01 -0.93 -4.66 120.40 120.16 3cia s VAL 312 Ca 0.05 -1.51 0.06 0.00 0.00 0.00 0.00 61.98 60.58 3cia s VAL 312 Cb 0.16 -5.08 -0.24 0.00 0.00 0.00 0.00 36.38 31.21 3cia s VAL 312 CO 0.88 -1.91 0.48 0.00 0.00 0.00 0.00 175.10 174.54 3cia n ALA 313 N 8.17 1.28 0.00 5.51 0.00 -1.26 -5.01 120.51 129.20 3cia n ALA 313 Ca 0.40 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3cia n ALA 313 Cb 0.48 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.22 3cia n ALA 313 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cia n GLY 314 N 1.75 0.77 0.00 0.00 0.00 -1.26 -4.86 105.19 101.60 3cia n GLY 314 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3cia n GLY 314 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cia n ASP 315 N 0.00 0.69 -0.92 1.61 5.68 -1.26 -5.02 116.55 117.32 3cia n ASP 315 Ca 0.00 -1.13 -0.11 0.00 -0.50 0.00 0.00 54.79 53.05 3cia n ASP 315 Cb 0.00 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.94 3cia n ASP 315 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3cia n LYS 316 N -0.06 -0.79 0.03 0.11 5.02 -1.26 -4.94 118.16 116.26 3cia n LYS 316 Ca 0.00 0.83 -0.20 0.00 -2.02 0.00 0.00 58.31 56.92 3cia n LYS 316 Cb 0.17 -4.82 -0.10 0.00 -0.02 0.00 0.00 35.03 30.25 3cia n LYS 316 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3cia h SER 317 N 0.00 0.89 -0.44 4.39 4.64 -1.95 -3.28 113.55 117.80 3cia h SER 317 Ca -0.23 -0.73 0.00 0.00 -0.47 0.00 0.00 61.79 60.36 3cia h SER 317 Cb 0.81 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3cia h SER 317 CO 0.33 1.50 0.00 0.18 -0.87 0.00 0.00 176.83 177.97 3cia n LEU 318 N -3.90 3.72 0.26 5.97 7.99 -1.26 -4.41 117.00 125.37 3cia n LEU 318 Ca -0.11 -1.88 0.14 0.00 -0.01 0.00 0.00 56.01 54.16 3cia n LEU 318 Cb 0.85 -0.53 0.69 0.00 -0.11 0.00 0.00 43.42 44.32 3cia n LEU 318 CO 0.55 0.57 0.95 0.58 -1.51 0.00 0.00 177.39 178.53 3cia h VAL 319 N 2.84 0.33 0.00 4.08 2.07 -1.85 -2.86 116.25 120.85 3cia h VAL 319 Ca 0.00 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3cia h VAL 319 Cb 1.22 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 3cia h VAL 319 CO 0.22 0.10 0.09 -0.55 0.02 0.00 0.00 177.57 177.44 3cia h ASN 320 N 0.00 0.00 -0.33 0.57 -1.07 -1.86 0.20 115.58 113.10 3cia h ASN 320 Ca -0.00 0.00 0.03 0.00 0.07 0.00 0.00 56.30 56.40 3cia h ASN 320 Cb 0.48 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.70 3cia h ASN 320 CO 0.01 0.00 0.12 0.25 0.07 0.00 0.00 177.43 177.89 3cia h LEU 321 N 0.00 0.15 -1.37 6.14 5.85 -1.88 0.25 115.31 124.46 3cia h LEU 321 Ca 0.00 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3cia h LEU 321 Cb 0.17 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3cia h LEU 321 CO 0.00 0.12 -0.23 0.40 -0.34 0.00 0.00 178.44 178.39 3cia h ILE 322 N 0.27 0.67 -0.01 4.05 1.08 -0.83 -1.26 117.51 121.49 3cia h ILE 322 Ca 0.14 -1.01 -0.21 0.00 -0.39 0.00 0.00 64.86 63.39 3cia h ILE 322 Cb 0.10 1.65 -0.00 0.00 -3.07 0.00 0.00 36.82 35.50 3cia h ILE 322 CO -0.14 0.22 -0.89 0.00 -0.69 0.00 0.00 178.15 176.66 3cia h ALA 323 N 1.77 0.44 -0.23 1.87 0.00 -1.34 -1.24 119.26 120.54 3cia h ALA 323 Ca -0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 54.91 54.12 3cia h ALA 323 Cb 0.63 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3cia h ALA 323 CO 0.03 0.83 -0.26 1.25 0.00 0.00 0.00 179.25 181.10 3cia h HIS 324 N 0.21 0.49 0.00 0.00 -0.00 0.20 -1.78 115.15 114.28 3cia h HIS 324 Ca -0.06 -0.10 -0.21 0.00 -0.00 0.00 0.00 60.37 59.99 3cia h HIS 324 Cb 1.51 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 28.77 3cia h HIS 324 CO 0.05 0.66 -1.04 0.93 -0.00 0.00 0.00 177.93 178.53 3cia h GLU 325 N 0.39 0.00 0.00 5.26 4.39 -0.92 -2.94 114.58 120.76 3cia h GLU 325 Ca 0.06 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 3cia h GLU 325 Cb 0.66 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3cia h GLU 325 CO 0.05 0.89 -0.09 1.25 -1.16 0.00 0.00 179.01 179.95 3cia h LEU 326 N 0.00 0.00 -0.58 1.33 6.46 -1.06 -3.04 115.31 118.41 3cia h LEU 326 Ca -0.04 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.57 3cia h LEU 326 Cb 1.76 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.69 3cia h LEU 326 CO 0.12 0.09 -0.51 0.00 -0.62 0.00 0.00 178.44 177.52 3cia h ALA 327 N 1.91 0.76 -0.60 1.25 0.00 -1.14 -2.93 119.26 118.51 3cia h ALA 327 Ca -0.00 -0.49 0.07 0.00 0.00 0.00 0.00 54.91 54.49 3cia h ALA 327 Cb 0.74 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3cia h ALA 327 CO 0.01 0.68 0.40 0.45 0.00 0.00 0.00 179.25 180.79 3cia h HIS 328 N 0.41 0.55 -0.38 0.00 3.86 -1.54 -0.50 115.15 117.55 3cia h HIS 328 Ca 0.02 0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.35 3cia h HIS 328 Cb 1.04 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.31 3cia h HIS 328 CO 0.04 0.28 0.85 0.77 0.86 0.00 0.00 177.93 180.73 3cia h SER 329 N 0.53 0.00 0.00 2.45 0.02 -1.63 -1.55 113.55 113.37 3cia h SER 329 Ca 0.27 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.92 3cia h SER 329 Cb 0.36 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.85 3cia h SER 329 CO -0.08 0.00 -2.01 0.79 -1.14 0.00 0.00 176.83 174.39 3cia n TRP 330 N -2.99 0.00 -3.61 3.45 8.01 -0.22 -3.23 117.44 118.85 3cia n TRP 330 Ca 0.08 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.86 3cia n TRP 330 Cb 0.98 -0.65 -0.11 0.00 -2.01 0.00 0.00 31.31 29.52 3cia n TRP 330 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 3cia s SER 331 N -6.42 5.67 0.00 -0.99 1.04 -0.61 -2.56 113.70 109.83 3cia s SER 331 Ca -0.25 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 54.94 3cia s SER 331 Cb 0.09 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.21 3cia s SER 331 CO 0.34 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.71 3cia n GLY 332 N 4.95 0.60 1.76 7.32 0.00 0.24 -4.05 105.19 116.01 3cia n GLY 332 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3cia n GLY 332 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cia n ASN 333 N 0.00 0.01 0.02 1.61 4.13 -1.03 -4.80 115.26 115.20 3cia n ASN 333 Ca 0.00 0.02 -0.20 0.00 1.68 0.00 0.00 54.58 56.08 3cia n ASN 333 Cb 0.00 0.01 -0.14 0.00 -1.54 0.00 0.00 39.78 38.11 3cia n ASN 333 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3cia h LEU 334 N 0.00 0.39 -7.96 3.41 6.46 -1.59 -3.43 115.31 112.59 3cia h LEU 334 Ca 0.00 -0.93 -0.63 0.00 -0.12 0.00 0.00 57.88 56.20 3cia h LEU 334 Cb 0.23 -0.13 -0.36 0.00 -0.73 0.00 0.00 40.66 39.68 3cia h LEU 334 CO 0.00 1.39 -0.84 -0.69 -0.62 0.00 0.00 178.44 177.68 3cia s VAL 335 N -2.41 1.77 0.03 1.05 1.01 -1.06 0.11 120.40 120.89 3cia s VAL 335 Ca -0.16 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.14 3cia s VAL 335 Cb 0.01 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 3cia s VAL 335 CO 0.80 0.49 -0.21 0.42 0.00 0.00 0.00 175.10 176.59 3cia s THR 336 N 1.40 1.72 0.20 3.92 -4.23 -0.32 -0.59 115.64 117.74 3cia s THR 336 Ca 0.05 -1.15 -0.32 0.00 -1.18 0.00 0.00 61.69 59.09 3cia s THR 336 Cb -0.13 -1.47 -0.13 0.00 1.34 0.00 0.00 72.50 72.11 3cia s THR 336 CO -0.12 0.29 1.57 -0.46 -0.54 0.00 0.00 174.62 175.36 3cia n ASN 337 N 2.01 3.26 0.01 3.99 0.23 -1.26 -0.31 115.26 123.19 3cia n ASN 337 Ca -0.17 1.10 -0.03 0.00 -0.53 0.00 0.00 54.58 54.95 3cia n ASN 337 Cb 0.53 -1.47 0.21 0.00 -2.08 0.00 0.00 39.78 36.96 3cia n ASN 337 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3cia h GLU 338 N 5.54 0.51 0.00 -3.83 4.11 -1.37 -3.41 114.58 116.12 3cia h GLU 338 Ca -0.45 -0.18 -0.61 0.00 0.07 0.00 0.00 59.36 58.19 3cia h GLU 338 Cb 1.25 -0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.33 3cia h GLU 338 CO 0.86 0.70 -0.49 -1.13 0.07 0.00 0.00 179.01 179.01 3cia n SER 339 N -4.14 1.86 -0.52 3.06 3.41 -1.26 -3.49 113.62 112.54 3cia n SER 339 Ca -0.00 -3.28 0.07 0.00 -0.26 0.00 0.00 58.87 55.41 3cia n SER 339 Cb 0.39 0.88 0.26 0.00 -0.26 0.00 0.00 64.21 65.47 3cia n SER 339 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3cia n TRP 340 N -1.06 0.30 1.00 7.33 5.03 -1.26 -2.96 117.44 125.83 3cia n TRP 340 Ca -0.10 -0.15 0.10 0.00 3.03 0.00 0.00 57.50 60.38 3cia n TRP 340 Cb 0.65 0.00 -0.06 0.00 -1.03 0.00 0.00 31.31 30.87 3cia n TRP 340 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 3cia n ARG 341 N 0.28 0.15 -0.51 -0.99 1.74 -1.26 -3.95 116.66 112.13 3cia n ARG 341 Ca 0.13 -0.12 0.08 0.00 -0.77 0.00 0.00 57.85 57.17 3cia n ARG 341 Cb 0.27 -1.50 0.30 0.00 -1.02 0.00 0.00 32.46 30.51 3cia n ARG 341 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3cia n ASP 342 N -1.32 4.26 0.29 0.55 8.00 -1.15 -3.92 116.55 123.26 3cia n ASP 342 Ca 0.05 -2.55 0.19 0.00 0.71 0.00 0.00 54.79 53.19 3cia n ASP 342 Cb 0.35 -0.51 0.99 0.00 -0.02 0.00 0.00 41.12 41.93 3cia n ASP 342 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3cia h LEU 343 N 3.07 0.00 -0.94 0.64 7.12 -1.69 0.12 115.31 123.63 3cia h LEU 343 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3cia h LEU 343 Cb 1.35 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.48 3cia h LEU 343 CO 0.21 0.00 0.00 4.11 -0.13 0.00 0.00 178.44 182.63 3cia h TRP 344 N 0.00 0.00 0.00 1.25 5.08 -1.80 -2.66 115.95 117.82 3cia h TRP 344 Ca 0.03 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.00 3cia h TRP 344 Cb 0.28 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.44 3cia h TRP 344 CO 0.00 0.00 0.00 -0.07 -1.28 0.00 0.00 178.44 177.09 3cia h LEU 345 N 0.00 0.00 0.00 0.11 3.38 -1.11 0.42 115.31 118.10 3cia h LEU 345 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3cia h LEU 345 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3cia h LEU 345 CO 0.00 0.00 -0.06 -3.20 0.09 0.00 0.00 178.44 175.27 3cia n ASN 346 N -2.34 0.20 -0.05 -0.43 5.15 -1.08 -4.05 115.26 112.67 3cia n ASN 346 Ca 0.03 0.25 -0.07 0.00 -0.60 0.00 0.00 54.58 54.20 3cia n ASN 346 Cb 0.31 -0.54 0.11 0.00 -0.53 0.00 0.00 39.78 39.14 3cia n ASN 346 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 3cia h GLU 347 N -0.11 0.67 0.01 1.20 4.39 -1.49 -1.88 114.58 117.37 3cia h GLU 347 Ca 0.00 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3cia h GLU 347 Cb 0.06 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3cia h GLU 347 CO 0.00 0.87 -0.02 0.78 -1.16 0.00 0.00 179.01 179.49 3cia h GLY 348 N 0.99 -1.04 1.11 -3.84 0.00 0.34 0.52 103.07 101.15 3cia h GLY 348 Ca 0.07 0.45 0.04 0.00 0.00 0.00 0.00 47.33 47.90 3cia h GLY 348 CO 0.06 -0.39 0.49 0.74 0.00 0.00 0.00 176.54 177.44 3cia h PHE 349 N -0.03 0.86 -0.13 5.60 -1.00 -1.67 -0.51 116.94 120.07 3cia h PHE 349 Ca -0.00 0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.69 3cia h PHE 349 Cb 0.02 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.29 3cia h PHE 349 CO -0.22 0.49 -0.41 1.15 -1.61 0.00 0.00 178.31 177.71 3cia h THR 350 N 0.88 1.31 -0.20 -1.55 2.02 -1.14 -0.62 112.91 113.61 3cia h THR 350 Ca 0.30 -1.53 -0.12 0.00 0.77 0.00 0.00 66.41 65.83 3cia h THR 350 Cb 0.11 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 3cia h THR 350 CO -0.09 0.46 -0.34 0.28 0.37 0.00 0.00 175.52 176.19 3cia h SER 351 N 0.24 0.64 -0.16 4.18 0.02 0.13 0.10 113.55 118.70 3cia h SER 351 Ca 0.02 -0.54 0.02 0.00 -0.84 0.00 0.00 61.79 60.46 3cia h SER 351 Cb 0.83 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 3cia h SER 351 CO 0.07 1.06 0.03 0.22 -1.14 0.00 0.00 176.83 177.06 3cia h TYR 352 N 0.25 0.04 -0.38 3.45 5.03 -1.01 -2.59 116.97 121.77 3cia h TYR 352 Ca 0.01 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.27 3cia h TYR 352 Cb 0.93 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.20 3cia h TYR 352 CO 0.09 0.01 -0.02 0.28 -1.32 0.00 0.00 178.16 177.20 3cia h VAL 353 N 0.09 1.22 -0.26 1.81 2.07 -1.17 -2.34 116.25 117.68 3cia h VAL 353 Ca 0.07 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.75 3cia h VAL 353 Cb 0.07 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3cia h VAL 353 CO -0.10 0.31 -0.03 -0.08 0.02 0.00 0.00 177.57 177.69 3cia h GLU 354 N 0.58 0.04 -0.40 1.57 4.81 -0.43 -2.26 114.58 118.49 3cia h GLU 354 Ca 0.12 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3cia h GLU 354 Cb 0.39 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3cia h GLU 354 CO 0.02 0.03 0.08 -0.97 -0.73 0.00 0.00 179.01 177.44 3cia h ASN 355 N 0.04 0.62 -0.38 1.04 -0.00 -1.20 -2.29 115.58 113.42 3cia h ASN 355 Ca 0.12 -0.25 0.05 0.00 -0.00 0.00 0.00 56.30 56.23 3cia h ASN 355 Cb 0.17 -0.16 -0.05 0.00 -0.00 0.00 0.00 38.32 38.28 3cia h ASN 355 CO -0.23 0.71 0.09 0.03 -0.00 0.00 0.00 177.43 178.03 3cia h ARG 356 N 0.51 0.22 0.00 6.67 2.47 -1.18 0.30 114.38 123.38 3cia h ARG 356 Ca 0.12 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.81 3cia h ARG 356 Cb 0.34 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.61 3cia h ARG 356 CO 0.00 0.15 -0.11 0.82 0.56 0.00 0.00 179.97 181.39 3cia h ILE 357 N 0.23 1.05 -0.08 2.04 2.04 -1.29 -0.30 117.51 121.19 3cia h ILE 357 Ca 0.18 -0.39 -0.16 0.00 1.00 0.00 0.00 64.86 65.48 3cia h ILE 357 Cb 0.19 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3cia h ILE 357 CO -0.22 0.11 -0.66 0.24 0.00 0.00 0.00 178.15 177.63 3cia h MET 358 N 0.00 0.34 -0.48 2.37 2.86 -0.02 -2.58 114.93 117.42 3cia h MET 358 Ca -0.00 -0.25 -0.12 0.00 -2.06 0.00 0.00 59.70 57.27 3cia h MET 358 Cb 0.20 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3cia h MET 358 CO 0.01 0.88 -0.15 1.49 1.06 0.00 0.00 176.91 180.20 3cia h GLU 359 N 0.24 0.95 -0.20 1.72 4.81 0.45 0.13 114.58 122.68 3cia h GLU 359 Ca -0.01 -0.38 -0.18 0.00 -0.13 0.00 0.00 59.36 58.65 3cia h GLU 359 Cb 1.20 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3cia h GLU 359 CO 0.11 1.04 -0.59 0.00 -0.73 0.00 0.00 179.01 178.84 3cia h ALA 360 N 0.88 0.34 0.01 2.92 0.00 -1.08 0.15 119.26 122.48 3cia h ALA 360 Ca 0.12 -0.53 -0.31 0.00 0.00 0.00 0.00 54.91 54.18 3cia h ALA 360 Cb 0.71 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 3cia h ALA 360 CO 0.05 0.59 -1.87 1.33 0.00 0.00 0.00 179.25 179.36 3cia n VAL 361 N -4.06 1.59 0.33 0.00 0.24 -0.97 -4.55 118.33 110.91 3cia n VAL 361 Ca -0.06 -0.79 0.06 0.00 -2.04 0.00 0.00 64.34 61.51 3cia n VAL 361 Cb 0.65 -1.01 -0.09 0.00 -1.47 0.00 0.00 33.84 31.92 3cia n VAL 361 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3cia n PHE 362 N -3.04 0.00 0.00 6.34 3.01 0.01 -5.10 117.46 118.68 3cia n PHE 362 Ca -0.21 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.25 3cia n PHE 362 Cb 1.07 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 40.40 3cia n PHE 362 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3cia n GLY 363 N 1.50 2.31 0.16 1.37 0.00 0.52 -4.61 105.19 106.43 3cia n GLY 363 Ca 0.00 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.38 3cia n GLY 363 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3cia h THR 364 N 0.00 0.00 -0.05 2.61 1.35 -1.87 -1.95 112.91 113.01 3cia h THR 364 Ca 0.00 -0.36 -0.18 0.00 -0.55 0.00 0.00 66.41 65.32 3cia h THR 364 Cb 0.00 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.62 3cia h THR 364 CO 0.00 0.00 -0.76 0.44 -0.25 0.00 0.00 175.52 174.95 3cia h ASP 365 N 0.00 0.38 -0.19 5.36 3.45 -1.94 -1.51 116.42 121.96 3cia h ASP 365 Ca 0.00 -0.26 -0.21 0.00 0.43 0.00 0.00 57.03 56.99 3cia h ASP 365 Cb 0.49 -0.11 0.01 0.00 -0.56 0.00 0.00 39.33 39.15 3cia h ASP 365 CO 0.00 1.00 -0.70 -0.09 -1.57 0.00 0.00 179.24 177.89 3cia h ARG 366 N 0.20 0.82 -0.10 3.56 9.65 -1.72 -2.98 114.38 123.81 3cia h ARG 366 Ca -0.03 -0.61 -0.00 0.00 -1.10 0.00 0.00 59.98 58.24 3cia h ARG 366 Cb 1.34 0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 30.02 3cia h ARG 366 CO 0.12 1.23 0.06 0.00 2.80 0.00 0.00 179.97 184.18 3cia h ALA 367 N 0.61 0.13 0.00 2.80 0.00 -1.34 -2.53 119.26 118.93 3cia h ALA 367 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3cia h ALA 367 Cb 1.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3cia h ALA 367 CO 0.15 -0.34 -0.58 -0.39 0.00 0.00 0.00 179.25 178.08 3cia h VAL 368 N 0.08 0.00 0.00 0.00 -1.51 -1.40 -2.37 116.25 111.05 3cia h VAL 368 Ca 0.04 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 3cia h VAL 368 Cb 0.06 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 3cia h VAL 368 CO -0.01 0.00 0.00 -0.03 -1.23 0.00 0.00 177.57 176.30 3cia h MET 369 N 0.00 0.00 0.00 5.19 -1.53 -1.41 -2.08 114.93 115.10 3cia h MET 369 Ca 0.00 0.00 -0.21 0.00 -3.44 0.00 0.00 59.70 56.05 3cia h MET 369 Cb 0.80 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.81 3cia h MET 369 CO 0.00 0.00 -2.09 0.39 0.14 0.00 0.00 176.91 175.35 3cia n GLU 370 N -2.88 0.67 0.16 0.39 1.02 -0.97 -3.35 120.64 115.68 3cia n GLU 370 Ca 0.01 -0.03 0.04 0.00 -0.02 0.00 0.00 57.16 57.15 3cia n GLU 370 Cb 0.28 -1.57 0.15 0.00 -0.02 0.00 0.00 31.44 30.28 3cia n GLU 370 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 3cia h GLN 371 N 0.00 0.00 0.06 3.49 3.07 -1.20 -2.62 115.11 117.91 3cia h GLN 371 Ca -0.29 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.44 3cia h GLN 371 Cb 1.71 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.27 3cia h GLN 371 CO 0.02 0.45 -0.03 0.00 0.09 0.00 0.00 178.83 179.36 3cia h ALA 372 N 1.55 -0.37 -1.38 0.06 0.00 -1.55 -1.79 119.26 115.78 3cia h ALA 372 Ca -0.00 -0.02 0.44 0.00 0.00 0.00 0.00 54.91 55.33 3cia h ALA 372 Cb 1.20 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 3cia h ALA 372 CO 0.06 -0.37 0.93 -0.11 0.00 0.00 0.00 179.25 179.76 3cia n LEU 373 N -2.52 0.12 0.00 0.00 7.94 -1.21 0.03 117.00 121.36 3cia n LEU 373 Ca -0.01 1.09 -0.20 0.00 -1.11 0.00 0.00 56.01 55.78 3cia n LEU 373 Cb 0.03 -0.54 -0.14 0.00 0.53 0.00 0.00 43.42 43.31 3cia n LEU 373 CO 0.02 -1.16 -0.23 1.23 -1.11 0.00 0.00 177.39 176.15 3cia h GLY 374 N 0.00 0.25 1.68 -3.96 0.00 -1.54 -3.32 103.07 96.18 3cia h GLY 374 Ca 0.78 -0.63 0.03 0.00 0.00 0.00 0.00 47.33 47.51 3cia h GLY 374 CO -0.27 0.55 0.13 0.00 0.00 0.00 0.00 176.54 176.95 3cia h ALA 375 N -0.05 1.67 -0.01 3.60 0.00 0.53 -1.67 119.26 123.34 3cia h ALA 375 Ca -0.24 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 3cia h ALA 375 Cb 1.62 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 3cia h ALA 375 CO 0.06 -0.19 -0.51 1.96 0.00 0.00 0.00 179.25 180.57 3cia h GLN 376 N 0.00 0.02 0.17 0.00 4.20 -1.40 -2.49 115.11 115.60 3cia h GLN 376 Ca 0.05 -0.01 -0.31 0.00 0.06 0.00 0.00 58.65 58.44 3cia h GLN 376 Cb 0.31 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.10 3cia h GLN 376 CO -0.00 0.52 -1.45 -0.44 -0.67 0.00 0.00 178.83 176.80 3cia h ASP 377 N 0.01 0.56 -0.01 1.46 5.19 -1.42 -2.24 116.42 119.98 3cia h ASP 377 Ca -0.00 -0.66 0.03 0.00 -0.62 0.00 0.00 57.03 55.77 3cia h ASP 377 Cb 0.91 -0.18 -0.05 0.00 0.18 0.00 0.00 39.33 40.19 3cia h ASP 377 CO 0.07 1.53 -0.27 0.25 -3.12 0.00 0.00 179.24 177.70 3cia h LEU 378 N 0.10 -0.81 -0.93 1.55 5.85 -1.40 0.75 115.31 120.43 3cia h LEU 378 Ca -0.22 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.65 3cia h LEU 378 Cb 2.06 0.33 -0.06 0.00 0.37 0.00 0.00 40.66 43.36 3cia h LEU 378 CO 0.21 -0.34 0.60 0.78 -0.34 0.00 0.00 178.44 179.35 3cia h ASN 379 N -0.41 0.98 -0.43 1.25 2.35 -1.51 0.18 115.58 117.99 3cia h ASN 379 Ca 0.06 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 3cia h ASN 379 Cb 0.50 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3cia h ASN 379 CO -0.24 0.66 0.03 0.00 -1.65 0.00 0.00 177.43 176.23 3cia h ALA 380 N 1.39 1.12 -0.12 -0.83 0.00 -0.67 -2.99 119.26 117.16 3cia h ALA 380 Ca 0.38 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 3cia h ALA 380 Cb 0.05 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.65 3cia h ALA 380 CO -0.13 0.57 -0.81 0.93 0.00 0.00 0.00 179.25 179.80 3cia h GLU 381 N 0.76 0.73 -0.93 0.00 5.08 0.11 -3.00 114.58 117.33 3cia h GLU 381 Ca 0.15 -0.62 0.14 0.00 -1.00 0.00 0.00 59.36 58.03 3cia h GLU 381 Cb 0.42 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.73 3cia h GLU 381 CO 0.02 1.23 0.59 0.82 -1.00 0.00 0.00 179.01 180.66 3cia h ILE 382 N 0.49 0.86 -0.17 3.13 1.08 -0.65 0.11 117.51 122.35 3cia h ILE 382 Ca -0.06 -0.27 -0.02 0.00 -0.39 0.00 0.00 64.86 64.12 3cia h ILE 382 Cb 1.44 -0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 3cia h ILE 382 CO 0.16 0.15 0.04 -0.07 -0.69 0.00 0.00 178.15 177.74 3cia h LEU 383 N 0.79 0.27 -0.10 1.44 4.07 -1.42 -2.66 115.31 117.70 3cia h LEU 383 Ca 0.47 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 58.19 3cia h LEU 383 Cb 0.64 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.31 3cia h LEU 383 CO -0.23 0.44 -0.00 -0.62 -1.08 0.00 0.00 178.44 176.95 3cia n GLU 384 N -4.79 1.00 -3.97 1.13 4.71 -1.00 -4.87 120.64 112.85 3cia n GLU 384 Ca -0.05 -0.10 -0.31 0.00 -0.01 0.00 0.00 57.16 56.69 3cia n GLU 384 Cb 0.17 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.05 3cia n GLU 384 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3cia s LEU 385 N -2.07 4.15 0.13 -4.62 2.96 0.37 -5.06 118.68 114.54 3cia s LEU 385 Ca 0.45 0.17 -0.31 0.00 -0.22 0.00 0.00 54.13 54.22 3cia s LEU 385 Cb 0.22 -2.75 -0.09 0.00 0.50 0.00 0.00 46.19 44.07 3cia s LEU 385 CO 0.38 0.18 1.47 -0.62 -1.32 0.00 0.00 176.35 176.44 3cia s ASP 386 N -2.41 6.73 0.00 3.68 -1.08 -1.26 -4.84 116.67 117.48 3cia s ASP 386 Ca 0.32 2.43 -0.03 0.00 -0.52 0.00 0.00 52.55 54.75 3cia s ASP 386 Cb -0.13 -2.59 -0.15 0.00 -1.46 0.00 0.00 42.92 38.60 3cia s ASP 386 CO 0.25 -0.73 2.32 0.00 0.52 0.00 0.00 175.17 177.52 3cia n ALA 387 N 4.09 4.24 0.00 3.66 0.00 -1.26 -1.28 120.51 129.96 3cia n ALA 387 Ca 0.13 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.58 3cia n ALA 387 Cb 0.41 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3cia n ALA 387 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3cia n SER 388 N 2.52 0.00 0.11 0.00 2.88 -1.26 -4.78 113.62 113.09 3cia n SER 388 Ca 0.23 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.90 3cia n SER 388 Cb 0.55 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 64.41 3cia n SER 388 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3cia h ASP 389 N 0.00 0.00 0.24 -3.46 3.32 -1.54 -3.17 116.42 111.82 3cia h ASP 389 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3cia h ASP 389 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3cia h ASP 389 CO 0.00 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.87 3cia n THR 390 N -2.30 0.02 -2.60 0.35 -2.24 -1.21 -4.77 114.28 101.53 3cia n THR 390 Ca 0.05 0.01 -0.35 0.00 -2.27 0.00 0.00 64.05 61.49 3cia n THR 390 Cb 0.43 -0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 68.09 3cia n THR 390 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3cia s GLN 391 N -2.25 4.08 -0.03 -0.78 -0.21 -1.20 -4.10 119.66 115.16 3cia s GLN 391 Ca 0.38 1.39 -0.23 0.00 0.02 0.00 0.00 55.36 56.92 3cia s GLN 391 Cb 0.20 -2.35 -0.16 0.00 1.00 0.00 0.00 33.01 31.70 3cia s GLN 391 CO 0.39 -0.20 1.01 1.25 -2.12 0.00 0.00 175.29 175.63 3cia h LEU 392 N 2.13 -0.21 -6.24 2.90 5.85 -1.70 -3.33 115.31 114.70 3cia h LEU 392 Ca -0.49 -0.32 -0.71 0.00 0.84 0.00 0.00 57.88 57.20 3cia h LEU 392 Cb 1.21 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 3cia h LEU 392 CO 0.61 0.29 2.87 0.00 -0.34 0.00 0.00 178.44 181.87 3cia n TYR 393 N -4.97 3.56 -2.20 1.25 9.36 0.72 -4.52 117.16 120.36 3cia n TYR 393 Ca -0.08 -2.95 -0.38 0.00 3.32 0.00 0.00 57.90 57.81 3cia n TYR 393 Cb 0.26 -2.47 -0.01 0.00 -0.63 0.00 0.00 39.34 36.50 3cia n TYR 393 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3cia s ILE 394 N 2.84 2.96 -0.18 2.97 2.07 -1.25 -4.94 121.20 125.66 3cia s ILE 394 Ca 0.46 0.76 -0.14 0.00 -1.41 0.00 0.00 60.65 60.32 3cia s ILE 394 Cb 0.12 -3.41 -0.04 0.00 0.13 0.00 0.00 42.46 39.26 3cia s ILE 394 CO -0.06 0.03 0.32 -0.62 -1.91 0.00 0.00 174.94 172.69 3cia s ASP 395 N -1.18 6.40 0.34 4.50 2.15 -1.26 -4.64 116.67 122.98 3cia s ASP 395 Ca 0.62 0.46 0.18 0.00 0.43 0.00 0.00 52.55 54.24 3cia s ASP 395 Cb -0.31 -2.19 0.32 0.00 -0.30 0.00 0.00 42.92 40.44 3cia s ASP 395 CO 0.39 0.03 1.56 -0.07 -0.17 0.00 0.00 175.17 176.91 3cia h LEU 396 N 7.12 0.00 0.62 -1.34 3.38 -1.95 -3.47 115.31 119.67 3cia h LEU 396 Ca -0.39 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.31 3cia h LEU 396 Cb 1.16 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.81 3cia h LEU 396 CO 0.73 0.37 -0.24 0.29 0.09 0.00 0.00 178.44 179.68 3cia n LYS 397 N -3.26 -1.23 -0.60 1.13 5.02 -1.26 -1.58 118.16 116.38 3cia n LYS 397 Ca 0.02 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.24 3cia n LYS 397 Cb 0.63 -5.13 0.00 0.00 -0.02 0.00 0.00 35.03 30.51 3cia n LYS 397 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cia n GLY 398 N -0.73 0.74 1.73 0.72 0.00 -1.26 -5.05 105.19 101.33 3cia n GLY 398 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 3cia n GLY 398 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cia n ARG 399 N -2.37 -1.24 -2.88 1.61 1.74 -0.61 -5.01 116.66 107.89 3cia n ARG 399 Ca 0.00 -0.90 -0.41 0.00 -0.77 0.00 0.00 57.85 55.77 3cia n ARG 399 Cb 0.00 -0.70 -0.04 0.00 -1.02 0.00 0.00 32.46 30.70 3cia n ARG 399 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3cia s ASP 400 N -3.10 7.11 0.00 0.55 3.68 -1.26 -4.93 116.67 118.73 3cia s ASP 400 Ca 0.34 1.35 0.00 0.00 2.13 0.00 0.00 52.55 56.37 3cia s ASP 400 Cb -0.02 -2.48 0.00 0.00 -1.45 0.00 0.00 42.92 38.97 3cia s ASP 400 CO 0.25 -0.25 0.80 -2.65 0.13 0.00 0.00 175.17 173.45 3cia n PRO 401 N 4.27 0.00 -0.11 4.34 -0.02 -1.26 -0.62 135.00 141.59 3cia n PRO 401 Ca 0.03 0.31 -0.22 0.00 -2.02 0.00 0.00 63.50 61.60 3cia n PRO 401 Cb 0.50 -1.66 -0.12 0.00 -0.02 0.00 0.00 33.50 32.20 3cia n PRO 401 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3cia n ASP 402 N -1.30 1.99 0.26 2.55 8.00 -1.26 -4.46 116.55 122.33 3cia n ASP 402 Ca 0.00 0.09 -0.15 0.00 0.71 0.00 0.00 54.79 55.43 3cia n ASP 402 Cb 0.16 -0.63 -0.08 0.00 -0.02 0.00 0.00 41.12 40.55 3cia n ASP 402 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 3cia h ASP 403 N -0.35 -1.15 -0.23 -2.24 3.58 -1.26 -3.24 116.42 111.53 3cia h ASP 403 Ca -0.58 0.09 -0.37 0.00 0.42 0.00 0.00 57.03 56.59 3cia h ASP 403 Cb 1.80 0.37 0.01 0.00 1.72 0.00 0.00 39.33 43.23 3cia h ASP 403 CO -0.17 -0.57 1.17 0.00 -2.88 0.00 0.00 179.24 176.79 3cia n ALA 404 N -2.71 1.71 -3.69 -0.78 0.00 -0.34 -4.81 120.51 109.90 3cia n ALA 404 Ca -0.10 -2.89 -0.11 0.00 0.00 0.00 0.00 53.44 50.33 3cia n ALA 404 Cb 0.39 -3.52 -0.11 0.00 0.00 0.00 0.00 19.45 16.21 3cia n ALA 404 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3cia s PHE 405 N 10.53 -0.55 0.00 0.00 2.19 -1.23 -4.83 117.98 124.09 3cia s PHE 405 Ca 0.69 1.17 0.00 0.00 0.33 0.00 0.00 56.93 59.12 3cia s PHE 405 Cb 0.04 0.17 0.00 0.00 -1.31 0.00 0.00 43.02 41.92 3cia s PHE 405 CO 0.17 -0.35 0.00 -1.13 1.83 0.00 0.00 175.22 175.73 3cia n SER 406 N 4.72 0.00 -0.00 6.13 3.41 -1.26 -5.03 113.62 121.59 3cia n SER 406 Ca -0.17 -0.15 0.10 0.00 -0.26 0.00 0.00 58.87 58.40 3cia n SER 406 Cb 0.52 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.34 3cia n SER 406 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cia n GLY 407 N 0.00 -1.01 0.21 5.00 0.00 -1.26 -4.64 105.19 103.49 3cia n GLY 407 Ca 0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 46.02 45.40 3cia n GLY 407 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3cia h VAL 408 N 0.00 0.00 -0.83 1.61 2.07 -1.94 -2.70 116.25 114.45 3cia h VAL 408 Ca 0.00 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.69 3cia h VAL 408 Cb 0.68 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 3cia h VAL 408 CO 0.00 0.00 0.55 1.55 0.02 0.00 0.00 177.57 179.69 3cia h PRO 409 N -0.03 0.42 0.46 1.57 0.13 -1.89 -0.06 132.00 132.60 3cia h PRO 409 Ca 0.07 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.15 3cia h PRO 409 Cb 0.21 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.25 3cia h PRO 409 CO -0.44 0.28 -0.22 1.88 -0.23 0.00 0.00 178.00 179.28 3cia h TYR 410 N 0.44 -0.57 0.23 1.56 -1.99 -1.69 -2.20 116.97 112.76 3cia h TYR 410 Ca 0.42 -0.01 -0.32 0.00 2.00 0.00 0.00 58.73 60.82 3cia h TYR 410 Cb 0.98 0.19 0.04 0.00 2.00 0.00 0.00 36.73 39.93 3cia h TYR 410 CO -0.00 -0.35 -1.39 0.28 -0.00 0.00 0.00 178.16 176.69 3cia h VAL 411 N -0.87 1.31 0.00 -2.88 2.07 -1.44 -1.36 116.25 113.08 3cia h VAL 411 Ca -0.06 -2.66 -0.14 0.00 0.82 0.00 0.00 66.70 64.66 3cia h VAL 411 Cb 0.47 3.04 -0.02 0.00 -1.52 0.00 0.00 31.29 33.26 3cia h VAL 411 CO 0.10 0.79 -0.67 0.50 0.02 0.00 0.00 177.57 178.31 3cia h LYS 412 N 0.10 0.00 0.00 1.57 3.64 -1.21 0.22 116.57 120.89 3cia h LYS 412 Ca -0.24 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.07 3cia h LYS 412 Cb 2.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.91 3cia h LYS 412 CO 0.26 0.67 -0.31 0.78 -2.27 0.00 0.00 179.45 178.58 3cia h GLY 413 N 2.09 0.00 0.68 5.01 0.00 -1.44 -1.82 103.07 107.60 3cia h GLY 413 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3cia h GLY 413 CO 0.09 0.00 -0.71 -1.61 0.00 0.00 0.00 176.54 174.31 3cia h GLN 414 N 0.00 0.31 0.00 4.80 4.15 -0.81 -2.96 115.11 120.60 3cia h GLN 414 Ca -0.00 -0.46 -0.04 0.00 0.77 0.00 0.00 58.65 58.92 3cia h GLN 414 Cb 1.15 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.99 3cia h GLN 414 CO 0.04 1.19 -0.18 -0.07 -1.93 0.00 0.00 178.83 177.88 3cia h LEU 415 N -0.33 0.00 -0.34 -2.39 3.38 -0.60 0.29 115.31 115.31 3cia h LEU 415 Ca -0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3cia h LEU 415 Cb 1.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 3cia h LEU 415 CO 0.13 0.18 0.04 0.15 0.09 0.00 0.00 178.44 179.03 3cia h PHE 416 N 0.00 0.62 0.00 1.13 3.57 -1.37 -1.10 116.94 119.79 3cia h PHE 416 Ca -0.00 -0.09 -0.14 0.00 3.53 0.00 0.00 57.97 61.27 3cia h PHE 416 Cb 0.33 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3cia h PHE 416 CO 0.00 0.66 -0.65 -0.07 -2.23 0.00 0.00 178.31 176.02 3cia h LEU 417 N 0.41 0.00 -1.91 0.59 3.38 -1.19 -2.63 115.31 113.96 3cia h LEU 417 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3cia h LEU 417 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3cia h LEU 417 CO 0.01 0.65 -0.12 0.24 0.09 0.00 0.00 178.44 179.31 3cia h MET 418 N 0.00 0.00 0.07 1.13 2.86 -0.22 -0.52 114.93 118.25 3cia h MET 418 Ca -0.01 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 3cia h MET 418 Cb 1.46 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.15 3cia h MET 418 CO 0.08 0.12 -0.93 -0.92 1.06 0.00 0.00 176.91 176.32 3cia h TYR 419 N 0.00 0.80 0.00 -0.22 3.20 -0.84 -2.13 116.97 117.78 3cia h TYR 419 Ca -0.00 -0.48 -0.08 0.00 3.14 0.00 0.00 58.73 61.30 3cia h TYR 419 Cb 0.33 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3cia h TYR 419 CO 0.00 1.33 -0.40 -0.07 -1.64 0.00 0.00 178.16 177.38 3cia h LEU 420 N 0.04 0.00 0.27 2.82 3.38 -1.20 -1.88 115.31 118.74 3cia h LEU 420 Ca -0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3cia h LEU 420 Cb 1.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.39 3cia h LEU 420 CO 0.18 0.40 -0.13 -0.08 0.09 0.00 0.00 178.44 178.90 3cia h GLU 421 N 0.00 -0.35 -1.18 1.13 4.81 -1.03 -0.36 114.58 117.60 3cia h GLU 421 Ca -0.00 0.02 0.34 0.00 -0.13 0.00 0.00 59.36 59.59 3cia h GLU 421 Cb 0.96 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 30.33 3cia h GLU 421 CO 0.05 -0.24 0.78 0.93 -0.73 0.00 0.00 179.01 179.81 3cia h GLU 422 N -0.49 0.21 0.02 1.92 5.08 -1.34 1.07 114.58 121.05 3cia h GLU 422 Ca -0.04 -0.01 -0.26 0.00 -1.00 0.00 0.00 59.36 58.05 3cia h GLU 422 Cb 0.28 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.50 3cia h GLU 422 CO 0.06 0.14 -1.05 0.87 -1.00 0.00 0.00 179.01 178.03 3cia h LYS 423 N 0.22 0.62 0.00 2.33 1.79 -1.18 -3.37 116.57 116.98 3cia h LYS 423 Ca 0.67 -0.69 -0.17 0.00 -2.18 0.00 0.00 60.65 58.28 3cia h LYS 423 Cb 2.03 0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 32.85 3cia h LYS 423 CO -0.27 1.28 -1.97 1.19 -1.08 0.00 0.00 179.45 178.60 3cia n PHE 424 N -3.81 0.00 0.00 -1.35 3.01 -0.16 -4.99 117.46 110.15 3cia n PHE 424 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 3cia n PHE 424 Cb 0.89 -0.62 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 3cia n PHE 424 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3cia n GLY 425 N 1.79 1.08 0.14 1.37 0.00 0.36 -4.40 105.19 105.53 3cia n GLY 425 Ca -0.16 -1.78 -0.15 0.00 0.00 0.00 0.00 46.02 43.93 3cia n GLY 425 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3cia h ARG 426 N 0.00 0.37 -0.48 1.61 2.47 -1.95 0.25 114.38 116.66 3cia h ARG 426 Ca 0.00 -0.27 0.04 0.00 -1.26 0.00 0.00 59.98 58.49 3cia h ARG 426 Cb 0.00 0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 28.31 3cia h ARG 426 CO 0.00 0.89 -0.32 1.49 0.56 0.00 0.00 179.97 182.59 3cia h GLU 427 N -0.09 -0.05 -0.45 0.04 4.57 -1.97 1.26 114.58 117.90 3cia h GLU 427 Ca -0.01 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.03 3cia h GLU 427 Cb 0.92 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 3cia h GLU 427 CO 0.06 -0.03 -0.27 0.00 -1.18 0.00 0.00 179.01 177.59 3cia h ARG 428 N -0.05 0.98 0.09 1.92 3.08 -1.76 -2.37 114.38 116.26 3cia h ARG 428 Ca 0.08 -0.45 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 3cia h ARG 428 Cb 0.25 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3cia h ARG 428 CO -0.48 1.12 -0.04 0.35 -1.07 0.00 0.00 179.97 179.85 3cia h PHE 429 N 0.82 -0.11 -0.31 3.04 3.57 0.16 -2.63 116.94 121.48 3cia h PHE 429 Ca 0.09 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 3cia h PHE 429 Cb 0.86 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 3cia h PHE 429 CO 0.06 0.28 0.10 -0.44 -2.23 0.00 0.00 178.31 176.07 3cia h ASP 430 N -0.53 0.39 -0.22 0.41 5.19 0.15 0.22 116.42 122.02 3cia h ASP 430 Ca -0.01 -0.04 -0.09 0.00 -0.62 0.00 0.00 57.03 56.27 3cia h ASP 430 Cb 0.44 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.85 3cia h ASP 430 CO 0.02 0.38 -0.21 0.00 -3.12 0.00 0.00 179.24 176.32 3cia h ALA 431 N 1.68 0.32 0.82 3.45 0.00 -1.41 -0.38 119.26 123.74 3cia h ALA 431 Ca 0.11 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3cia h ALA 431 Cb 0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3cia h ALA 431 CO -0.01 0.26 -0.50 0.35 0.00 0.00 0.00 179.25 179.36 3cia h PHE 432 N 0.22 -1.33 -0.94 0.00 3.57 -1.04 -1.26 116.94 116.17 3cia h PHE 432 Ca 0.04 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.69 3cia h PHE 432 Cb 0.75 0.47 -0.08 0.00 2.79 0.00 0.00 35.95 39.89 3cia h PHE 432 CO 0.08 -0.75 0.60 0.28 -2.23 0.00 0.00 178.31 176.29 3cia h VAL 433 N -1.23 0.78 -0.08 1.41 2.07 -0.54 0.51 116.25 119.17 3cia h VAL 433 Ca -0.11 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3cia h VAL 433 Cb 0.99 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3cia h VAL 433 CO 0.11 0.12 0.02 0.25 0.02 0.00 0.00 177.57 178.10 3cia h LEU 434 N 0.68 0.12 -1.22 2.57 5.85 -0.87 -2.23 115.31 120.22 3cia h LEU 434 Ca 0.49 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 3cia h LEU 434 Cb 0.84 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 3cia h LEU 434 CO -0.25 0.30 0.37 -0.33 -0.34 0.00 0.00 178.44 178.19 3cia h GLU 435 N -0.06 0.90 -0.38 1.25 5.08 0.33 -1.10 114.58 120.60 3cia h GLU 435 Ca 0.03 -0.09 0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3cia h GLU 435 Cb 0.22 -0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.21 3cia h GLU 435 CO -0.00 0.66 -0.10 -0.92 -1.00 0.00 0.00 179.01 177.64 3cia h TYR 436 N 0.91 -0.22 -0.22 4.33 3.20 0.21 0.39 116.97 125.56 3cia h TYR 436 Ca 0.23 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.94 3cia h TYR 436 Cb 0.01 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.44 3cia h TYR 436 CO 0.01 -0.17 -0.63 0.74 -1.64 0.00 0.00 178.16 176.46 3cia h PHE 437 N -0.01 1.01 -0.10 -3.82 0.05 -0.98 -2.73 116.94 110.35 3cia h PHE 437 Ca 0.18 -0.39 -0.00 0.00 3.82 0.00 0.00 57.97 61.58 3cia h PHE 437 Cb 0.29 -0.18 -0.00 0.00 2.00 0.00 0.00 35.95 38.06 3cia h PHE 437 CO -0.35 1.21 0.06 -0.44 -0.18 0.00 0.00 178.31 178.60 3cia h ASP 438 N 0.58 0.12 0.70 2.17 3.32 -0.87 -2.87 116.42 119.57 3cia h ASP 438 Ca -0.01 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 3cia h ASP 438 Cb 1.23 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 3cia h ASP 438 CO 0.13 0.16 -0.09 0.77 -1.72 0.00 0.00 179.24 178.49 3cia h SER 439 N 0.08 0.00 -0.31 6.45 4.64 -0.24 -2.83 113.55 121.34 3cia h SER 439 Ca 0.04 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 3cia h SER 439 Cb 0.06 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.11 3cia h SER 439 CO -0.01 0.09 -0.00 1.41 -0.87 0.00 0.00 176.83 177.45 3cia n HIS 440 N -3.32 1.03 -1.58 4.77 8.25 -1.03 -5.02 115.22 118.33 3cia n HIS 440 Ca -0.01 -1.14 -0.51 0.00 -0.26 0.00 0.00 57.72 55.81 3cia n HIS 440 Cb 0.29 -0.39 -0.06 0.00 1.12 0.00 0.00 29.99 30.95 3cia n HIS 440 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3cia n ALA 441 N -0.75 0.79 -2.46 -1.41 0.00 -1.07 -1.24 120.51 114.38 3cia n ALA 441 Ca 0.26 0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.68 3cia n ALA 441 Cb 0.96 -2.49 0.01 0.00 0.00 0.00 0.00 19.45 17.93 3cia n ALA 441 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3cia n PHE 442 N 8.13 -0.92 -4.44 0.00 3.72 0.30 -5.00 117.46 119.25 3cia n PHE 442 Ca 0.32 0.13 -0.28 0.00 -0.05 0.00 0.00 57.45 57.58 3cia n PHE 442 Cb 0.24 -3.14 -0.08 0.00 -0.94 0.00 0.00 39.48 35.56 3cia n PHE 442 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3cia s GLN 443 N -4.93 2.13 0.21 -1.08 -0.21 -0.37 -5.01 119.66 110.40 3cia s GLN 443 Ca 0.08 -2.09 0.09 0.00 0.02 0.00 0.00 55.36 53.45 3cia s GLN 443 Cb -0.03 -1.76 -0.04 0.00 1.00 0.00 0.00 33.01 32.17 3cia s GLN 443 CO 0.10 -0.20 -0.03 0.45 -2.12 0.00 0.00 175.29 173.49 3cia s SER 444 N -3.86 4.54 -0.14 5.90 0.15 -1.26 -1.17 113.70 117.86 3cia s SER 444 Ca 0.30 -0.55 -0.17 0.00 0.70 0.00 0.00 55.95 56.23 3cia s SER 444 Cb 0.05 -0.87 0.04 0.00 -1.71 0.00 0.00 66.02 63.54 3cia s SER 444 CO 0.16 0.06 0.45 -0.22 1.20 0.00 0.00 173.24 174.88 3cia s LEU 445 N -3.22 0.29 0.18 3.45 2.96 0.58 -4.85 118.68 118.08 3cia s LEU 445 Ca 0.28 0.78 0.07 0.00 -0.22 0.00 0.00 54.13 55.05 3cia s LEU 445 Cb -0.08 1.58 -0.04 0.00 0.50 0.00 0.00 46.19 48.15 3cia s LEU 445 CO 0.18 -0.23 0.03 -0.83 -1.32 0.00 0.00 176.35 174.18 3cia s GLY 446 N -0.07 1.70 0.18 7.98 0.00 -1.26 -1.10 107.32 114.75 3cia s GLY 446 Ca -0.03 -1.37 -0.20 0.00 0.00 0.00 0.00 44.72 43.12 3cia s GLY 446 CO 0.02 -1.40 1.61 -0.84 0.00 0.00 0.00 173.10 172.49 3cia h THR 447 N 2.30 0.28 -0.97 0.90 2.02 -1.91 -1.47 112.91 114.06 3cia h THR 447 Ca -0.47 0.00 0.21 0.00 0.77 0.00 0.00 66.41 66.93 3cia h THR 447 Cb 1.21 0.28 -0.12 0.00 -1.74 0.00 0.00 68.15 67.78 3cia h THR 447 CO 0.59 0.00 0.55 0.44 0.37 0.00 0.00 175.52 177.47 3cia h ASP 448 N -0.17 0.64 0.45 4.18 3.45 -2.00 -2.20 116.42 120.76 3cia h ASP 448 Ca 0.21 0.12 -0.29 0.00 0.43 0.00 0.00 57.03 57.50 3cia h ASP 448 Cb 0.51 0.02 0.02 0.00 -0.56 0.00 0.00 39.33 39.32 3cia h ASP 448 CO -0.57 0.15 -1.31 0.78 -1.57 0.00 0.00 179.24 176.73 3cia h ASN 449 N 0.61 0.61 -0.75 6.45 2.35 -1.78 -2.99 115.58 120.08 3cia h ASN 449 Ca 0.59 -0.64 0.16 0.00 -0.55 0.00 0.00 56.30 55.87 3cia h ASN 449 Cb 1.04 -0.20 -0.11 0.00 0.05 0.00 0.00 38.32 39.10 3cia h ASN 449 CO -0.45 1.49 0.19 0.15 -1.65 0.00 0.00 177.43 177.16 3cia h PHE 450 N 0.12 0.29 -0.11 1.19 3.57 -0.71 -1.02 116.94 120.28 3cia h PHE 450 Ca -0.18 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 3cia h PHE 450 Cb 2.01 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.73 3cia h PHE 450 CO 0.09 -0.09 0.04 0.28 -2.23 0.00 0.00 178.31 176.40 3cia h VAL 451 N 0.27 1.16 -0.58 1.41 2.07 -1.41 0.16 116.25 119.33 3cia h VAL 451 Ca 0.43 -0.48 0.12 0.00 0.82 0.00 0.00 66.70 67.59 3cia h VAL 451 Cb 0.73 1.28 -0.10 0.00 -1.52 0.00 0.00 31.29 31.68 3cia h VAL 451 CO -0.52 0.14 -0.03 0.50 0.02 0.00 0.00 177.57 177.68 3cia h LYS 452 N 0.01 0.08 -0.53 1.57 1.63 -1.24 0.86 116.57 118.95 3cia h LYS 452 Ca 0.04 -0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 59.72 3cia h LYS 452 Cb 0.19 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 3cia h LYS 452 CO -0.00 0.06 -0.11 -0.92 -3.45 0.00 0.00 179.45 175.03 3cia h TYR 453 N 0.09 1.10 0.00 1.91 3.20 -0.88 0.08 116.97 122.47 3cia h TYR 453 Ca 0.30 -0.22 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 3cia h TYR 453 Cb 0.47 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3cia h TYR 453 CO -0.38 1.02 -0.38 1.25 -1.64 0.00 0.00 178.16 178.03 3cia h LEU 454 N 0.88 0.00 0.00 2.82 6.46 -0.00 0.51 115.31 125.98 3cia h LEU 454 Ca 0.14 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.83 3cia h LEU 454 Cb 0.66 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 3cia h LEU 454 CO 0.05 0.38 -0.42 0.11 -0.62 0.00 0.00 178.44 177.94 3cia h LYS 455 N 0.00 0.00 0.00 1.25 1.57 -0.59 -2.13 116.57 116.66 3cia h LYS 455 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3cia h LYS 455 Cb 0.76 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 3cia h LYS 455 CO 0.05 0.79 -0.01 0.00 -0.57 0.00 0.00 179.45 179.71 3cia h ALA 456 N -0.36 1.09 0.00 3.86 0.00 -0.95 0.76 119.26 123.66 3cia h ALA 456 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3cia h ALA 456 Cb 0.92 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3cia h ALA 456 CO -0.06 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.29 3cia n ASN 457 N -3.23 1.11 0.00 0.00 3.02 0.17 -4.32 115.26 112.01 3cia n ASN 457 Ca -0.02 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 3cia n ASN 457 Cb 0.11 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 3cia n ASN 457 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3cia n LEU 458 N -0.10 0.00 0.28 3.41 0.00 -0.95 -4.72 117.00 114.91 3cia n LEU 458 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 56.01 56.15 3cia n LEU 458 Cb 0.08 0.00 0.82 0.00 0.00 0.00 0.00 43.42 44.32 3cia n LEU 458 CO 0.00 -0.26 1.06 0.74 0.00 0.00 0.00 177.39 178.94 3cia h THR 459 N 0.00 0.59 0.00 1.96 2.02 -1.37 0.24 112.91 116.35 3cia h THR 459 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3cia h THR 459 Cb 0.00 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3cia h THR 459 CO 0.00 0.05 -1.36 0.47 0.37 0.00 0.00 175.52 175.05 3cia n ASP 460 N -3.82 2.39 -0.04 4.18 9.92 0.26 -3.79 116.55 125.64 3cia n ASP 460 Ca -0.03 -0.08 -0.13 0.00 -0.53 0.00 0.00 54.79 54.02 3cia n ASP 460 Cb 0.14 1.42 -0.08 0.00 -0.64 0.00 0.00 41.12 41.96 3cia n ASP 460 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 3cia h LYS 461 N 0.00 0.29 -3.40 -1.24 3.64 -1.20 -3.32 116.57 111.33 3cia h LYS 461 Ca 0.00 -0.16 -0.68 0.00 -1.27 0.00 0.00 60.65 58.54 3cia h LYS 461 Cb 0.44 0.01 -0.37 0.00 -0.41 0.00 0.00 32.23 31.90 3cia h LYS 461 CO 0.00 0.72 -0.38 0.71 -2.27 0.00 0.00 179.45 178.22 3cia s TYR 462 N -4.20 3.49 0.55 1.91 2.02 0.74 -5.00 117.35 116.85 3cia s TYR 462 Ca -0.14 -2.97 -0.18 0.00 -0.37 0.00 0.00 57.07 53.40 3cia s TYR 462 Cb 0.04 -3.06 -0.06 0.00 -0.40 0.00 0.00 41.96 38.48 3cia s TYR 462 CO 0.74 -0.75 1.07 -1.25 -1.57 0.00 0.00 175.55 173.79 3cia s PRO 463 N -0.61 3.46 -0.00 -1.71 0.04 -1.25 -4.16 135.00 130.76 3cia s PRO 463 Ca 0.20 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.60 3cia s PRO 463 Cb -0.16 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3cia s PRO 463 CO -0.07 -0.71 0.00 0.09 0.04 0.00 0.00 177.00 176.35 3cia n ASN 464 N -1.53 -3.01 -0.09 6.66 4.13 -1.26 -4.89 115.26 115.26 3cia n ASN 464 Ca 0.10 0.00 -0.15 0.00 1.68 0.00 0.00 54.58 56.21 3cia n ASN 464 Cb 0.52 -0.52 -0.05 0.00 -1.54 0.00 0.00 39.78 38.20 3cia n ASN 464 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3cia n ILE 465 N -3.00 1.40 -4.94 2.41 -0.00 -1.26 -4.97 119.36 109.01 3cia n ILE 465 Ca -0.00 -0.02 -0.33 0.00 -0.00 0.00 0.00 62.75 62.41 3cia n ILE 465 Cb 0.00 -2.08 -0.14 0.00 -0.00 0.00 0.00 39.64 37.42 3cia n ILE 465 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 3cia s VAL 466 N -2.65 2.81 -0.03 1.39 1.01 -1.26 -5.11 120.40 116.57 3cia s VAL 466 Ca -0.28 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 60.86 3cia s VAL 466 Cb 0.07 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3cia s VAL 466 CO 0.39 0.56 0.21 -0.94 0.00 0.00 0.00 175.10 175.32 3cia s SER 467 N -0.16 6.43 0.00 3.32 1.04 -1.26 -4.92 113.70 118.15 3cia s SER 467 Ca -0.01 0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.88 3cia s SER 467 Cb -0.14 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 63.93 3cia s SER 467 CO 0.03 0.29 0.63 0.47 0.98 0.00 0.00 173.24 175.64 3cia n ASP 468 N 1.24 0.00 0.02 7.02 10.43 -1.26 0.13 116.55 134.13 3cia n ASP 468 Ca -0.13 0.19 -0.10 0.00 2.57 0.00 0.00 54.79 57.33 3cia n ASP 468 Cb 0.53 -0.19 -0.13 0.00 1.84 0.00 0.00 41.12 43.16 3cia n ASP 468 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 3cia h ASN 469 N 0.00 0.08 0.89 -2.24 4.21 -1.98 -1.75 115.58 114.79 3cia h ASN 469 Ca 0.00 -0.12 -0.19 0.00 1.21 0.00 0.00 56.30 57.19 3cia h ASN 469 Cb 0.20 -0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.35 3cia h ASN 469 CO 0.00 1.11 -0.90 -0.33 -1.29 0.00 0.00 177.43 176.01 3cia h GLU 470 N 0.01 0.01 0.11 0.81 5.08 0.63 -1.83 114.58 119.40 3cia h GLU 470 Ca -0.19 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3cia h GLU 470 Cb 1.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.18 3cia h GLU 470 CO 0.11 0.90 -0.05 0.82 -1.00 0.00 0.00 179.01 179.79 3cia h ILE 471 N 0.00 1.07 -0.39 3.13 2.04 -1.48 -2.09 117.51 119.79 3cia h ILE 471 Ca -0.01 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 3cia h ILE 471 Cb 1.60 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 39.43 3cia h ILE 471 CO 0.12 0.27 0.18 0.78 0.00 0.00 0.00 178.15 179.50 3cia h ASN 472 N -0.76 0.48 -0.23 1.72 2.35 -1.38 -2.38 115.58 115.38 3cia h ASN 472 Ca -0.02 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 3cia h ASN 472 Cb 0.55 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 3cia h ASN 472 CO 0.02 0.41 -0.17 -0.08 -1.65 0.00 0.00 177.43 175.97 3cia h GLU 473 N 0.54 0.52 -0.26 0.81 4.57 -1.36 -1.59 114.58 117.80 3cia h GLU 473 Ca 0.14 -0.25 0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3cia h GLU 473 Cb 0.07 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 3cia h GLU 473 CO -0.02 0.82 0.10 -1.49 -1.18 0.00 0.00 179.01 177.24 3cia h TRP 474 N 0.22 0.18 0.00 0.92 4.06 -0.96 -2.93 115.95 117.45 3cia h TRP 474 Ca 0.04 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.01 3cia h TRP 474 Cb 0.70 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.81 3cia h TRP 474 CO 0.07 0.09 -1.03 0.44 -3.56 0.00 0.00 178.44 174.46 3cia n ILE 475 N -5.02 0.58 -0.02 1.49 -5.35 -0.93 -4.51 119.36 105.61 3cia n ILE 475 Ca -0.01 -0.53 0.02 0.00 -0.27 0.00 0.00 62.75 61.95 3cia n ILE 475 Cb 0.08 -0.31 -0.08 0.00 -1.74 0.00 0.00 39.64 37.60 3cia n ILE 475 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3cia n PHE 476 N -2.63 0.00 -3.69 4.28 3.72 -0.60 -0.20 117.46 118.34 3cia n PHE 476 Ca -0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.09 3cia n PHE 476 Cb 0.54 -0.31 -0.04 0.00 -0.94 0.00 0.00 39.48 38.73 3cia n PHE 476 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3cia s LYS 477 N -2.56 3.60 1.02 -1.08 3.01 -1.11 -4.77 119.74 117.84 3cia s LYS 477 Ca -0.04 -0.13 -0.15 0.00 -1.01 0.00 0.00 55.97 54.64 3cia s LYS 477 Cb 0.05 -2.86 0.20 0.00 -1.01 0.00 0.00 37.83 34.22 3cia s LYS 477 CO 0.42 0.47 1.15 0.00 0.51 0.00 0.00 175.35 177.89 3cia s ALA 478 N -1.67 1.36 0.02 5.17 0.00 -1.26 -4.26 121.76 121.12 3cia s ALA 478 Ca 0.40 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.64 3cia s ALA 478 Cb -0.12 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.03 3cia s ALA 478 CO 0.25 -2.78 0.00 0.41 0.00 0.00 0.00 175.76 173.65 3cia n GLY 479 N -1.90 -0.34 3.91 0.00 0.00 -1.26 -4.84 105.19 100.76 3cia n GLY 479 Ca 0.09 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 3cia n GLY 479 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cia s LEU 480 N 0.00 4.33 0.00 0.99 1.43 -1.26 -4.93 118.68 119.23 3cia s LEU 480 Ca 0.00 0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.39 3cia s LEU 480 Cb 0.00 -2.93 0.30 0.00 0.03 0.00 0.00 46.19 43.59 3cia s LEU 480 CO 0.00 0.16 0.68 -2.65 0.23 0.00 0.00 176.35 174.77 3cia n PRO 481 N 0.21 0.34 0.00 1.29 -0.02 -1.26 -4.85 135.00 130.71 3cia n PRO 481 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3cia n PRO 481 Cb 0.51 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 3cia n PRO 481 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3cia n SER 482 N -0.73 0.00 -0.55 2.55 3.41 -1.26 -4.27 113.62 112.77 3cia n SER 482 Ca 0.04 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.70 3cia n SER 482 Cb 0.02 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.11 3cia n SER 482 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cia n TYR 483 N 0.00 0.39 -2.11 7.33 0.18 -1.26 -4.88 117.16 116.81 3cia n TYR 483 Ca 0.00 -0.20 -0.42 0.00 1.88 0.00 0.00 57.90 59.16 3cia n TYR 483 Cb 0.00 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 38.93 3cia n TYR 483 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3cia s ALA 484 N -1.61 3.63 0.32 -3.48 0.00 -1.26 -4.93 121.76 114.43 3cia s ALA 484 Ca 0.21 1.05 -0.25 0.00 0.00 0.00 0.00 51.96 52.97 3cia s ALA 484 Cb 0.11 -3.62 -0.15 0.00 0.00 0.00 0.00 23.12 19.46 3cia s ALA 484 CO 0.14 -0.91 0.54 -2.30 0.00 0.00 0.00 175.76 173.23 3cia n PRO 485 N 5.12 0.42 -3.44 0.00 -0.02 -1.26 -4.93 135.00 130.89 3cia n PRO 485 Ca 0.14 0.15 -0.26 0.00 -2.02 0.00 0.00 63.50 61.50 3cia n PRO 485 Cb 0.42 -1.31 -0.09 0.00 -0.02 0.00 0.00 33.50 32.50 3cia n PRO 485 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3cia n GLN 486 N 0.88 1.02 -1.54 -0.52 -0.06 -1.26 -5.00 117.38 110.91 3cia n GLN 486 Ca 0.13 -3.67 -0.46 0.00 -2.00 0.00 0.00 57.00 51.00 3cia n GLN 486 Cb 0.33 -1.75 -0.02 0.00 -4.06 0.00 0.00 30.24 24.74 3cia n GLN 486 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 3cia n PRO 487 N 1.95 0.95 -3.83 3.69 -0.02 -1.26 -4.97 135.00 131.51 3cia n PRO 487 Ca 0.25 0.33 -0.13 0.00 -2.02 0.00 0.00 63.50 61.94 3cia n PRO 487 Cb 0.46 -1.62 -0.15 0.00 -0.02 0.00 0.00 33.50 32.17 3cia n PRO 487 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3cia s THR 488 N -0.92 -0.02 -0.19 3.45 -1.32 -1.26 -4.33 115.64 111.05 3cia s THR 488 Ca 0.62 0.08 0.01 0.00 -1.21 0.00 0.00 61.69 61.19 3cia s THR 488 Cb -0.79 -0.06 0.03 0.00 -1.51 0.00 0.00 72.50 70.17 3cia s THR 488 CO 0.58 0.03 -0.16 -0.55 -2.21 0.00 0.00 174.62 172.31 3cia s SER 489 N 0.42 3.26 0.16 8.08 0.15 -1.26 -4.93 113.70 119.57 3cia s SER 489 Ca -0.03 -0.75 -0.29 0.00 0.70 0.00 0.00 55.95 55.57 3cia s SER 489 Cb -0.05 -1.40 -0.03 0.00 -1.71 0.00 0.00 66.02 62.83 3cia s SER 489 CO -0.01 -0.05 1.55 -1.13 1.20 0.00 0.00 173.24 174.79 3cia h ASN 490 N 7.94 -1.97 -0.91 5.45 -1.24 -1.98 -2.20 115.58 120.68 3cia h ASN 490 Ca -0.39 0.31 0.22 0.00 0.71 0.00 0.00 56.30 57.15 3cia h ASN 490 Cb 1.12 0.88 -0.06 0.00 0.73 0.00 0.00 38.32 40.98 3cia h ASN 490 CO 0.57 -0.28 0.61 0.00 -1.29 0.00 0.00 177.43 177.05 3cia h ALA 491 N 0.53 2.32 -0.11 1.57 0.00 -1.97 0.84 119.26 122.43 3cia h ALA 491 Ca 0.17 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 3cia h ALA 491 Cb 0.48 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3cia h ALA 491 CO -0.86 -0.61 -0.41 0.74 0.00 0.00 0.00 179.25 178.10 3cia h PHE 492 N 0.33 0.30 0.00 0.00 -1.00 -1.82 -3.26 116.94 111.49 3cia h PHE 492 Ca 0.47 -0.08 -0.36 0.00 2.81 0.00 0.00 57.97 60.81 3cia h PHE 492 Cb 1.29 -0.07 -0.07 0.00 3.61 0.00 0.00 35.95 40.72 3cia h PHE 492 CO -0.00 0.63 -2.32 1.17 -1.61 0.00 0.00 178.31 176.18 3cia n LYS 493 N -4.02 0.68 -0.13 1.51 4.81 0.27 -0.82 118.16 120.46 3cia n LYS 493 Ca -0.01 0.04 0.28 0.00 -0.87 0.00 0.00 58.31 57.74 3cia n LYS 493 Cb 0.48 -1.55 0.67 0.00 0.02 0.00 0.00 35.03 34.64 3cia n LYS 493 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3cia h VAL 494 N 0.00 0.26 0.09 3.15 2.07 -1.12 -2.86 116.25 117.84 3cia h VAL 494 Ca -0.52 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 66.81 3cia h VAL 494 Cb 2.19 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3cia h VAL 494 CO 0.03 0.00 -0.95 0.40 0.02 0.00 0.00 177.57 177.07 3cia h ILE 495 N 0.00 1.31 -1.19 4.57 2.04 -1.02 -2.93 117.51 120.29 3cia h ILE 495 Ca 0.41 -2.41 0.43 0.00 1.00 0.00 0.00 64.86 64.29 3cia h ILE 495 Cb 2.02 2.94 -0.14 0.00 -0.74 0.00 0.00 36.82 40.90 3cia h ILE 495 CO -0.00 0.64 0.74 0.47 0.00 0.00 0.00 178.15 180.01 3cia n ASP 496 N -4.17 0.22 -0.02 1.72 8.00 -0.62 0.64 116.55 122.33 3cia n ASP 496 Ca -0.20 1.34 -0.19 0.00 0.71 0.00 0.00 54.79 56.45 3cia n ASP 496 Cb 0.77 -0.66 -0.14 0.00 -0.02 0.00 0.00 41.12 41.08 3cia n ASP 496 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3cia h LYS 497 N 0.00 0.16 -0.87 -1.24 6.56 -1.55 -3.27 116.57 116.37 3cia h LYS 497 Ca 0.81 -0.28 0.10 0.00 -1.06 0.00 0.00 60.65 60.22 3cia h LYS 497 Cb 2.50 0.10 -0.06 0.00 -0.57 0.00 0.00 32.23 34.20 3cia h LYS 497 CO -0.49 1.13 0.56 1.96 -2.06 0.00 0.00 179.45 180.55 3cia h GLN 498 N -0.60 0.81 0.00 3.15 4.20 -1.03 -3.00 115.11 118.63 3cia h GLN 498 Ca -0.19 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.48 3cia h GLN 498 Cb 1.47 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.07 3cia h GLN 498 CO 0.03 0.53 0.09 -0.84 -0.67 0.00 0.00 178.83 177.98 3cia h ILE 499 N 0.83 0.00 0.00 2.54 3.07 0.15 -3.22 117.51 120.88 3cia h ILE 499 Ca 0.41 0.00 -0.07 0.00 1.55 0.00 0.00 64.86 66.75 3cia h ILE 499 Cb 0.45 0.45 -0.02 0.00 -0.27 0.00 0.00 36.82 37.42 3cia h ILE 499 CO -0.17 0.00 0.24 0.59 -1.05 0.00 0.00 178.15 177.76 3cia n ASN 500 N -2.24 1.83 -0.40 2.16 5.03 -1.14 -4.38 115.26 116.13 3cia n ASN 500 Ca -0.01 -1.85 0.00 0.00 0.87 0.00 0.00 54.58 53.59 3cia n ASN 500 Cb 0.12 -0.50 0.00 0.00 -1.02 0.00 0.00 39.78 38.38 3cia n ASN 500 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3cia n GLN 501 N 2.87 0.74 0.00 3.52 6.02 -1.22 -4.79 117.38 124.53 3cia n GLN 501 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 3cia n GLN 501 Cb 0.31 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.28 3cia n GLN 501 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3cia n LEU 502 N 0.00 0.00 -0.88 1.08 4.77 -1.26 -0.35 117.00 120.36 3cia n LEU 502 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 3cia n LEU 502 Cb 0.15 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.47 3cia n LEU 502 CO 0.00 0.00 0.70 0.52 -1.33 0.00 0.00 177.39 177.28 3cia n VAL 503 N 0.00 2.31 -0.41 4.08 0.31 -1.26 -4.99 118.33 118.38 3cia n VAL 503 Ca 0.00 -2.09 0.00 0.00 -0.01 0.00 0.00 64.34 62.24 3cia n VAL 503 Cb 0.00 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 3cia n VAL 503 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3cia n THR 504 N -0.73 -0.59 -1.56 2.52 -2.24 0.52 -4.82 114.28 107.38 3cia n THR 504 Ca 0.23 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 3cia n THR 504 Cb 0.91 -1.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 3cia n THR 504 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3cia n ASP 505 N 0.00 -1.67 0.04 3.42 8.00 -1.16 -4.95 116.55 120.22 3cia n ASP 505 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 3cia n ASP 505 Cb 0.00 -0.48 -0.10 0.00 -0.02 0.00 0.00 41.12 40.52 3cia n ASP 505 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3cia h GLU 506 N 0.00 0.00 0.00 -1.24 3.07 -1.83 -3.43 114.58 111.15 3cia h GLU 506 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3cia h GLU 506 Cb 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 3cia h GLU 506 CO 0.00 0.68 -0.61 -0.11 -1.40 0.00 0.00 179.01 177.57 3cia n LEU 507 N -3.17 0.37 -3.84 1.33 0.00 -1.26 -5.00 117.00 105.42 3cia n LEU 507 Ca -0.07 0.06 -0.20 0.00 0.00 0.00 0.00 56.01 55.80 3cia n LEU 507 Cb 0.94 -0.10 -0.17 0.00 0.00 0.00 0.00 43.42 44.09 3cia n LEU 507 CO 0.45 -0.29 -0.39 0.28 0.00 0.00 0.00 177.39 177.44 3cia s THR 508 N -2.00 0.42 0.00 1.96 -1.32 -1.26 -5.13 115.64 108.31 3cia s THR 508 Ca 0.00 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 3cia s THR 508 Cb 0.00 -0.50 0.00 0.00 -1.51 0.00 0.00 72.50 70.49 3cia s THR 508 CO 0.00 0.22 0.00 0.00 -2.21 0.00 0.00 174.62 172.63 3cia n LEU 509 N 4.41 0.00 -0.00 9.08 -0.00 -1.26 -4.44 117.00 124.78 3cia n LEU 509 Ca -0.20 0.00 0.09 0.00 -0.00 0.00 0.00 56.01 55.90 3cia n LEU 509 Cb 0.50 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.80 3cia n LEU 509 CO 0.19 0.00 -0.40 -1.84 -0.00 0.00 0.00 177.39 175.34 3cia n GLU 510 N 0.00 0.81 -1.18 1.47 -0.00 -1.26 -4.68 120.64 115.80 3cia n GLU 510 Ca 0.00 -0.09 -0.25 0.00 -0.00 0.00 0.00 57.16 56.82 3cia n GLU 510 Cb 0.00 -1.39 -0.12 0.00 -0.00 0.00 0.00 31.44 29.93 3cia n GLU 510 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 3cia n GLN 511 N -1.80 0.06 -1.18 3.44 -0.06 -1.26 -4.81 117.38 111.77 3cia n GLN 511 Ca -0.00 -1.41 0.00 0.00 -2.00 0.00 0.00 57.00 53.58 3cia n GLN 511 Cb 0.38 -3.37 0.00 0.00 -4.06 0.00 0.00 30.24 23.20 3cia n GLN 511 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3cia n LEU 512 N 15.77 0.00 -0.61 1.69 4.32 -1.26 -5.02 117.00 131.89 3cia n LEU 512 Ca 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.41 3cia n LEU 512 Cb 0.45 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 3cia n LEU 512 CO 0.80 -0.30 0.26 -2.65 -1.22 0.00 0.00 177.39 174.28 3cia n PRO 513 N -0.60 0.85 -0.27 3.23 -0.02 -1.26 -4.51 135.00 132.41 3cia n PRO 513 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.54 3cia n PRO 513 Cb 0.00 -1.35 0.16 0.00 -0.02 0.00 0.00 33.50 32.29 3cia n PRO 513 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3cia h THR 514 N 0.03 0.27 0.00 3.45 1.35 -1.95 1.27 112.91 117.32 3cia h THR 514 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 3cia h THR 514 Cb 0.52 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 3cia h THR 514 CO 0.00 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.28 3cia n ALA 515 N -3.06 1.51 -0.16 6.62 0.00 -1.26 0.24 120.51 124.40 3cia n ALA 515 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3cia n ALA 515 Cb 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3cia n ALA 515 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3cia n GLN 516 N -0.95 0.30 -2.29 0.00 6.02 0.43 -5.04 117.38 115.86 3cia n GLN 516 Ca 0.00 -0.34 -0.42 0.00 -0.01 0.00 0.00 57.00 56.23 3cia n GLN 516 Cb 0.00 -0.82 -0.03 0.00 1.02 0.00 0.00 30.24 30.42 3cia n GLN 516 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3cia s TRP 517 N -0.14 2.76 0.62 1.08 0.52 0.14 -5.02 118.94 118.90 3cia s TRP 517 Ca 0.00 0.84 -0.11 0.00 0.02 0.00 0.00 56.10 56.85 3cia s TRP 517 Cb 0.00 -3.62 -0.04 0.00 -1.15 0.00 0.00 33.47 28.67 3cia s TRP 517 CO 0.00 -2.26 1.03 0.95 0.02 0.00 0.00 176.95 176.69 3cia s THR 518 N 2.96 4.66 0.23 2.01 -4.23 -1.26 -4.85 115.64 115.16 3cia s THR 518 Ca 0.61 0.87 -0.12 0.00 -1.18 0.00 0.00 61.69 61.87 3cia s THR 518 Cb -0.28 -3.84 0.29 0.00 1.34 0.00 0.00 72.50 70.02 3cia s THR 518 CO 0.23 -1.12 1.60 0.25 -0.54 0.00 0.00 174.62 175.04 3cia h LEU 519 N -0.32 -0.75 -0.90 4.79 7.12 -1.97 1.50 115.31 124.79 3cia h LEU 519 Ca -0.44 0.23 0.20 0.00 0.13 0.00 0.00 57.88 58.00 3cia h LEU 519 Cb 1.19 0.48 -0.12 0.00 -0.53 0.00 0.00 40.66 41.68 3cia h LEU 519 CO 0.62 -0.25 0.43 0.45 -0.13 0.00 0.00 178.44 179.55 3cia h HIS 520 N -0.01 0.72 0.00 1.25 3.86 -1.93 -2.67 115.15 116.37 3cia h HIS 520 Ca 0.35 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.60 3cia h HIS 520 Cb 0.55 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.84 3cia h HIS 520 CO -0.61 0.02 0.00 0.39 0.86 0.00 0.00 177.93 178.60 3cia n GLU 521 N -4.98 0.97 0.00 2.45 1.02 0.51 -3.01 120.64 117.61 3cia n GLU 521 Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 3cia n GLU 521 Cb 0.61 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 3cia n GLU 521 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 3cia n TRP 522 N -0.15 0.00 -0.06 -0.32 -0.00 -1.01 -3.89 117.44 112.00 3cia n TRP 522 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.43 3cia n TRP 522 Cb 0.17 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.38 3cia n TRP 522 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3cia n LEU 523 N 0.00 0.15 -0.06 5.87 4.77 -1.16 -2.89 117.00 123.68 3cia n LEU 523 Ca 0.00 -0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 3cia n LEU 523 Cb 0.05 0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 3cia n LEU 523 CO 0.00 0.34 0.66 -0.74 -1.33 0.00 0.00 177.39 176.32 3cia h HIS 524 N 0.00 0.40 0.76 -1.77 2.76 -1.74 -2.58 115.15 112.98 3cia h HIS 524 Ca -0.35 -0.10 -0.04 0.00 -2.20 0.00 0.00 60.37 57.69 3cia h HIS 524 Cb 1.77 -0.09 0.01 0.00 1.55 0.00 0.00 27.41 30.65 3cia h HIS 524 CO 0.00 0.67 -0.36 0.35 -1.30 0.00 0.00 177.93 177.29 3cia h PHE 525 N 0.02 -0.94 -0.16 5.26 3.57 -1.73 -1.20 116.94 121.76 3cia h PHE 525 Ca 0.04 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.54 3cia h PHE 525 Cb 0.57 0.31 -0.06 0.00 2.79 0.00 0.00 35.95 39.56 3cia h PHE 525 CO 0.07 -0.59 -0.50 0.82 -2.23 0.00 0.00 178.31 175.88 3cia h ILE 526 N -1.03 0.00 -0.23 1.41 2.04 -1.58 -2.77 117.51 115.35 3cia h ILE 526 Ca -0.10 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.67 3cia h ILE 526 Cb 0.78 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 3cia h ILE 526 CO 0.17 0.00 -0.11 -0.46 0.00 0.00 0.00 178.15 177.75 3cia n ASN 527 N -5.19 2.67 -1.57 1.72 2.04 -0.97 -2.54 115.26 111.40 3cia n ASN 527 Ca -0.05 -3.53 0.08 0.00 -0.44 0.00 0.00 54.58 50.63 3cia n ASN 527 Cb 0.34 -0.57 0.34 0.00 -2.53 0.00 0.00 39.78 37.36 3cia n ASN 527 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3cia n ASN 528 N -1.03 4.68 -4.81 0.53 4.13 -0.45 -5.02 115.26 113.29 3cia n ASN 528 Ca 0.26 -2.54 -0.38 0.00 1.68 0.00 0.00 54.58 53.61 3cia n ASN 528 Cb 0.90 -0.59 -0.06 0.00 -1.54 0.00 0.00 39.78 38.49 3cia n ASN 528 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3cia s LEU 529 N -1.95 4.48 0.18 3.41 2.96 -1.05 -5.00 118.68 121.71 3cia s LEU 529 Ca 0.48 1.27 -0.33 0.00 -0.22 0.00 0.00 54.13 55.33 3cia s LEU 529 Cb 0.32 -3.08 -0.14 0.00 0.50 0.00 0.00 46.19 43.80 3cia s LEU 529 CO 0.20 0.21 1.56 -2.65 -1.32 0.00 0.00 176.35 174.36 3cia n PRO 530 N 1.42 2.20 0.00 0.98 -0.02 -1.26 -4.82 135.00 133.49 3cia n PRO 530 Ca -0.08 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3cia n PRO 530 Cb 0.51 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3cia n PRO 530 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3cia n VAL 531 N 3.18 0.00 -2.56 -1.45 0.31 -1.26 -5.01 118.33 111.54 3cia n VAL 531 Ca 0.16 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.33 3cia n VAL 531 Cb 0.30 -0.24 0.02 0.00 -0.91 0.00 0.00 33.84 33.01 3cia n VAL 531 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3cia n ASP 532 N 0.06 2.92 0.00 4.52 10.43 -1.26 -4.00 116.55 129.22 3cia n ASP 532 Ca 0.00 -3.10 0.00 0.00 2.57 0.00 0.00 54.79 54.26 3cia n ASP 532 Cb 0.08 -0.49 0.00 0.00 1.84 0.00 0.00 41.12 42.56 3cia n ASP 532 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3cia n VAL 539 N -0.31 0.00 0.02 2.53 0.31 -1.26 -5.07 118.33 114.55 3cia n VAL 539 Ca 0.23 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.43 3cia n VAL 539 Cb 0.77 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.64 3cia n VAL 539 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3cia h ASN 540 N 0.00 -1.22 0.00 4.52 4.21 -2.03 1.79 115.58 122.85 3cia h ASN 540 Ca 0.00 0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.67 3cia h ASN 540 Cb 0.00 0.50 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 3cia h ASN 540 CO 0.00 -0.42 0.00 0.18 -1.29 0.00 0.00 177.43 175.90 3cia n LEU 541 N -5.43 0.00 -0.14 1.61 4.77 -1.26 -1.39 117.00 115.15 3cia n LEU 541 Ca -0.04 0.90 -0.04 0.00 -0.03 0.00 0.00 56.01 56.80 3cia n LEU 541 Cb 0.36 -0.40 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3cia n LEU 541 CO 0.14 -0.40 0.76 -0.78 -1.33 0.00 0.00 177.39 175.78 3cia h ASP 542 N 0.00 -0.47 0.33 -1.43 3.58 -1.93 -1.38 116.42 115.12 3cia h ASP 542 Ca 0.00 0.14 -0.11 0.00 0.42 0.00 0.00 57.03 57.49 3cia h ASP 542 Cb 0.00 0.30 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 3cia h ASP 542 CO 0.00 -0.17 -0.45 0.50 -2.88 0.00 0.00 179.24 176.25 3cia h LYS 543 N -0.02 0.14 0.53 0.28 1.63 0.27 1.30 116.57 120.71 3cia h LYS 543 Ca 0.22 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.92 3cia h LYS 543 Cb 0.35 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.99 3cia h LYS 543 CO -0.48 0.57 -0.26 0.00 -3.45 0.00 0.00 179.45 175.83 3cia h ALA 544 N 1.43 -0.75 0.00 5.00 0.00 -0.77 -3.38 119.26 120.79 3cia h ALA 544 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3cia h ALA 544 Cb 0.84 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3cia h ALA 544 CO 0.06 -0.70 -0.78 0.74 0.00 0.00 0.00 179.25 178.58 3cia h PHE 545 N -1.14 0.00 -6.18 0.00 0.04 -1.35 -3.50 116.94 104.82 3cia h PHE 545 Ca -0.07 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.41 3cia h PHE 545 Cb 0.55 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.70 3cia h PHE 545 CO 0.01 0.00 -0.75 -3.47 -0.60 0.00 0.00 178.31 173.50 3cia n ASP 546 N -2.21 -6.12 0.06 2.17 -0.08 0.45 -4.88 116.55 105.95 3cia n ASP 546 Ca 0.02 -0.42 0.13 0.00 -1.51 0.00 0.00 54.79 53.02 3cia n ASP 546 Cb 0.46 -3.08 0.48 0.00 2.34 0.00 0.00 41.12 41.32 3cia n ASP 546 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3cia n LEU 547 N -1.73 0.51 0.16 -2.67 4.32 -1.26 -3.27 117.00 113.07 3cia n LEU 547 Ca -0.15 0.54 -0.13 0.00 -0.02 0.00 0.00 56.01 56.25 3cia n LEU 547 Cb 0.61 -0.38 -0.08 0.00 -1.62 0.00 0.00 43.42 41.95 3cia n LEU 547 CO 0.58 -0.11 0.56 0.74 -1.22 0.00 0.00 177.39 177.94 3cia h THR 548 N 0.00 0.70 -0.34 -5.08 2.02 -1.90 -3.06 112.91 105.27 3cia h THR 548 Ca 0.00 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 3cia h THR 548 Cb 0.65 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3cia h THR 548 CO 0.00 0.11 0.01 0.59 0.37 0.00 0.00 175.52 176.60 3cia n ASN 549 N -5.13 3.71 -4.62 4.18 5.03 -1.25 -4.92 115.26 112.26 3cia n ASN 549 Ca -0.10 -2.55 -0.46 0.00 0.87 0.00 0.00 54.58 52.34 3cia n ASN 549 Cb 0.26 -0.61 -0.03 0.00 -1.02 0.00 0.00 39.78 38.38 3cia n ASN 549 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3cia n SER 550 N 0.33 1.98 0.00 6.41 3.41 -1.15 -4.94 113.62 119.65 3cia n SER 550 Ca 0.16 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.92 3cia n SER 550 Cb 0.81 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 3cia n SER 550 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3cia n SER 551 N 1.97 0.00 -4.60 4.04 2.88 -1.26 -4.58 113.62 112.07 3cia n SER 551 Ca 0.13 0.76 -0.53 0.00 -1.33 0.00 0.00 58.87 57.90 3cia n SER 551 Cb 0.28 -0.42 -0.06 0.00 -0.75 0.00 0.00 64.21 63.26 3cia n SER 551 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3cia n ASN 552 N -1.77 1.59 -0.12 -3.46 2.85 -1.26 -4.85 115.26 108.24 3cia n ASN 552 Ca 0.00 1.12 -0.09 0.00 -0.11 0.00 0.00 54.58 55.50 3cia n ASN 552 Cb 0.00 -1.16 0.05 0.00 1.24 0.00 0.00 39.78 39.91 3cia n ASN 552 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3cia h ALA 553 N 4.71 0.79 -0.67 5.20 0.00 -1.83 -2.61 119.26 124.84 3cia h ALA 553 Ca -0.48 -0.38 0.10 0.00 0.00 0.00 0.00 54.91 54.16 3cia h ALA 553 Cb 1.34 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 3cia h ALA 553 CO 0.79 0.65 0.28 0.93 0.00 0.00 0.00 179.25 181.90 3cia h GLU 554 N 0.77 0.45 0.88 0.00 4.39 -1.89 0.06 114.58 119.25 3cia h GLU 554 Ca 0.11 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 3cia h GLU 554 Cb 0.75 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.31 3cia h GLU 554 CO 0.06 0.30 -0.43 0.82 -1.16 0.00 0.00 179.01 178.60 3cia h ILE 555 N 0.47 0.00 -0.99 3.13 1.08 -1.88 -1.15 117.51 118.17 3cia h ILE 555 Ca 0.34 0.00 0.30 0.00 -0.39 0.00 0.00 64.86 65.12 3cia h ILE 555 Cb 0.43 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.04 3cia h ILE 555 CO -0.32 0.00 0.54 0.00 -0.69 0.00 0.00 178.15 177.68 3cia h ALA 556 N -1.43 1.87 0.49 1.87 0.00 -1.10 -1.08 119.26 119.88 3cia h ALA 556 Ca -0.12 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3cia h ALA 556 Cb 0.92 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3cia h ALA 556 CO 0.19 -0.51 -0.24 1.25 0.00 0.00 0.00 179.25 179.94 3cia h HIS 557 N 0.36 -0.61 -1.02 0.00 -0.00 -0.36 -2.04 115.15 111.47 3cia h HIS 557 Ca 0.70 -0.01 0.27 0.00 -0.00 0.00 0.00 60.37 61.33 3cia h HIS 557 Cb 1.55 0.20 -0.07 0.00 -0.00 0.00 0.00 27.41 29.10 3cia h HIS 557 CO -0.03 -0.38 0.69 0.00 -0.00 0.00 0.00 177.93 178.21 3cia h ALA 558 N -1.61 2.56 0.62 5.26 0.00 -0.75 -0.76 119.26 124.59 3cia h ALA 558 Ca -0.07 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3cia h ALA 558 Cb 0.51 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3cia h ALA 558 CO 0.11 -0.90 -0.30 2.35 0.00 0.00 0.00 179.25 180.51 3cia h TRP 559 N 0.22 -0.78 -0.93 0.00 -0.00 -1.12 -2.12 115.95 111.23 3cia h TRP 559 Ca 0.53 -0.02 0.11 0.00 -0.00 0.00 0.00 58.89 59.51 3cia h TRP 559 Cb 1.67 0.26 -0.08 0.00 -0.00 0.00 0.00 29.16 31.00 3cia h TRP 559 CO -0.00 -0.48 0.56 1.88 -0.00 0.00 0.00 178.44 180.40 3cia h TYR 560 N -1.20 1.02 -0.27 2.65 0.05 -0.94 0.24 116.97 118.52 3cia h TYR 560 Ca -0.09 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.78 3cia h TYR 560 Cb 0.64 -0.32 -0.06 0.00 1.01 0.00 0.00 36.73 38.01 3cia h TYR 560 CO 0.00 0.41 -0.10 1.25 -1.05 0.00 0.00 178.16 178.67 3cia h LEU 561 N 0.91 -0.34 -0.18 3.88 5.85 -1.21 0.31 115.31 124.53 3cia h LEU 561 Ca 0.46 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 59.24 3cia h LEU 561 Cb 0.44 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3cia h LEU 561 CO -0.26 -0.13 -0.02 0.25 -0.34 0.00 0.00 178.44 177.94 3cia h LEU 562 N -0.05 0.32 0.00 2.25 5.85 -0.91 -2.85 115.31 119.92 3cia h LEU 562 Ca 0.14 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3cia h LEU 562 Cb 0.25 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3cia h LEU 562 CO -0.30 0.58 0.00 -1.20 -0.34 0.00 0.00 178.44 177.18 3cia n SER 563 N -4.69 0.00 -0.38 1.25 7.64 0.82 -1.33 113.62 116.93 3cia n SER 563 Ca -0.05 0.75 0.32 0.00 1.01 0.00 0.00 58.87 60.90 3cia n SER 563 Cb 0.24 -0.25 0.59 0.00 -1.01 0.00 0.00 64.21 63.78 3cia n SER 563 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 3cia h VAL 564 N 0.00 0.13 0.61 0.44 3.04 -1.08 0.71 116.25 120.11 3cia h VAL 564 Ca 0.00 -0.04 -0.03 0.00 -1.01 0.00 0.00 66.70 65.62 3cia h VAL 564 Cb 0.00 -0.00 0.01 0.00 -2.01 0.00 0.00 31.29 29.29 3cia h VAL 564 CO 0.00 0.02 -0.29 0.03 -1.01 0.00 0.00 177.57 176.32 3cia h ARG 565 N 0.12 -0.79 0.00 4.17 3.08 -1.17 -2.35 114.38 117.44 3cia h ARG 565 Ca 0.81 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.91 3cia h ARG 565 Cb 2.25 0.18 0.00 0.00 0.08 0.00 0.00 29.97 32.48 3cia h ARG 565 CO -0.57 -0.53 0.00 0.00 -1.07 0.00 0.00 179.97 177.80 3cia n ALA 566 N -2.45 2.22 -3.42 0.04 0.00 -0.44 -4.89 120.51 111.56 3cia n ALA 566 Ca -0.10 -0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.08 3cia n ALA 566 Cb 0.32 -1.11 0.06 0.00 0.00 0.00 0.00 19.45 18.72 3cia n ALA 566 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3cia n ASP 567 N -0.66 -5.88 -3.93 0.00 9.92 0.22 -4.90 116.55 111.31 3cia n ASP 567 Ca 0.05 -0.82 -0.43 0.00 -0.53 0.00 0.00 54.79 53.06 3cia n ASP 567 Cb 0.02 -4.52 0.01 0.00 -0.64 0.00 0.00 41.12 35.99 3cia n ASP 567 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3cia n TYR 568 N -3.63 2.41 -0.23 1.24 9.36 0.41 -4.84 117.16 121.88 3cia n TYR 568 Ca -0.09 -2.62 0.30 0.00 3.32 0.00 0.00 57.90 58.81 3cia n TYR 568 Cb 0.61 -1.41 0.53 0.00 -0.63 0.00 0.00 39.34 38.44 3cia n TYR 568 CO 0.00 0.00 0.00 1.57 0.22 0.00 0.00 176.86 178.65 3cia h LYS 569 N 5.39 0.00 -0.42 2.98 5.09 -1.91 -2.81 116.57 124.89 3cia h LYS 569 Ca 0.28 0.00 0.12 0.00 0.09 0.00 0.00 60.65 61.14 3cia h LYS 569 Cb 0.59 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.90 3cia h LYS 569 CO 1.40 0.00 0.34 1.49 -2.09 0.00 0.00 179.45 180.59 3cia h GLU 570 N 0.00 0.00 -0.52 0.07 4.57 -1.98 -2.00 114.58 114.71 3cia h GLU 570 Ca 0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.68 3cia h GLU 570 Cb 2.74 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.33 3cia h GLU 570 CO -0.01 0.00 0.00 1.33 -1.18 0.00 0.00 179.01 179.15 3cia n VAL 571 N -4.16 0.79 -0.13 0.32 0.24 -1.06 -4.43 118.33 109.90 3cia n VAL 571 Ca 0.07 -0.55 -0.11 0.00 -2.04 0.00 0.00 64.34 61.72 3cia n VAL 571 Cb 0.54 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.89 3cia n VAL 571 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 3cia h TYR 572 N 2.02 0.73 -0.06 6.34 -1.99 -1.60 -2.53 116.97 119.88 3cia h TYR 572 Ca 0.00 -0.13 -0.00 0.00 2.00 0.00 0.00 58.73 60.60 3cia h TYR 572 Cb 0.75 -0.19 -0.00 0.00 2.00 0.00 0.00 36.73 39.29 3cia h TYR 572 CO 0.35 0.76 0.03 -1.00 -0.00 0.00 0.00 178.16 178.30 3cia h PRO 573 N 0.48 0.09 -0.46 4.88 0.13 -1.84 -0.03 132.00 135.25 3cia h PRO 573 Ca 0.10 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 3cia h PRO 573 Cb 0.48 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 3cia h PRO 573 CO 0.02 0.20 0.26 0.00 -0.23 0.00 0.00 178.00 178.25 3cia h ALA 574 N 0.88 1.60 -0.07 -0.56 0.00 -1.86 0.24 119.26 119.48 3cia h ALA 574 Ca 0.02 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3cia h ALA 574 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3cia h ALA 574 CO -0.00 0.34 -0.54 1.98 0.00 0.00 0.00 179.25 181.03 3cia h MET 575 N 0.63 0.19 0.87 0.00 -1.53 -1.21 -2.11 114.93 111.76 3cia h MET 575 Ca 0.16 -0.11 -0.04 0.00 -3.44 0.00 0.00 59.70 56.27 3cia h MET 575 Cb 0.01 0.01 0.01 0.00 -0.55 0.00 0.00 31.60 31.07 3cia h MET 575 CO -0.03 0.68 -0.42 0.00 0.14 0.00 0.00 176.91 177.28 3cia h ALA 576 N 1.30 -1.17 -0.90 0.39 0.00 0.10 0.34 119.26 119.33 3cia h ALA 576 Ca 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.76 3cia h ALA 576 Cb 1.00 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 3cia h ALA 576 CO 0.08 -1.11 0.58 -0.22 0.00 0.00 0.00 179.25 178.57 3cia h LYS 577 N -1.26 0.82 -0.33 0.00 3.64 -1.47 0.11 116.57 118.10 3cia h LYS 577 Ca -0.12 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 3cia h LYS 577 Cb 0.90 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 3cia h LYS 577 CO 0.20 0.55 0.17 -0.92 -2.27 0.00 0.00 179.45 177.18 3cia h TYR 578 N 0.85 0.45 -0.44 1.91 3.20 -1.06 0.35 116.97 122.23 3cia h TYR 578 Ca 0.43 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.17 3cia h TYR 578 Cb 0.48 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 3cia h TYR 578 CO -0.00 0.37 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.65 3cia h LEU 579 N 0.40 0.86 -0.37 2.82 3.38 0.50 -2.44 115.31 120.45 3cia h LEU 579 Ca 0.11 -0.29 -0.19 0.00 0.09 0.00 0.00 57.88 57.61 3cia h LEU 579 Cb 0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3cia h LEU 579 CO -0.02 1.02 -0.65 0.11 0.09 0.00 0.00 178.44 179.00 3cia h LYS 580 N 0.75 0.63 0.00 1.13 1.57 -0.53 -3.39 116.57 116.74 3cia h LYS 580 Ca 0.11 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3cia h LYS 580 Cb 0.70 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3cia h LYS 580 CO 0.05 1.07 0.00 0.43 -0.57 0.00 0.00 179.45 180.43 3cia n SER 581 N -3.93 0.00 -4.81 0.86 7.64 0.12 -4.75 113.62 108.75 3cia n SER 581 Ca -0.05 0.74 -0.36 0.00 1.01 0.00 0.00 58.87 60.22 3cia n SER 581 Cb 0.67 -0.49 -0.06 0.00 -1.01 0.00 0.00 64.21 63.31 3cia n SER 581 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3cia s ILE 582 N -1.99 4.44 -0.07 0.44 2.07 -0.93 -4.80 121.20 120.37 3cia s ILE 582 Ca 0.00 1.45 0.10 0.00 -1.41 0.00 0.00 60.65 60.79 3cia s ILE 582 Cb 0.00 -3.86 0.15 0.00 0.13 0.00 0.00 42.46 38.88 3cia s ILE 582 CO 0.00 0.09 1.04 0.61 -1.91 0.00 0.00 174.94 174.77 3cia n GLY 583 N 0.42 3.16 3.73 1.50 0.00 -1.17 -4.74 105.19 108.08 3cia n GLY 583 Ca 0.01 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 3cia n GLY 583 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cia s ARG 584 N -1.76 4.25 0.00 1.61 3.52 -1.21 -4.00 118.95 121.36 3cia s ARG 584 Ca 0.17 2.30 -0.14 0.00 -0.13 0.00 0.00 55.73 57.93 3cia s ARG 584 Cb 0.15 -3.15 -0.08 0.00 -1.56 0.00 0.00 34.95 30.31 3cia s ARG 584 CO 0.02 -0.51 0.84 0.00 -0.81 0.00 0.00 175.30 174.83 3cia h ARG 585 N 6.07 -0.49 -2.86 5.12 3.08 0.07 -3.14 114.38 122.22 3cia h ARG 585 Ca -0.44 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.63 3cia h ARG 585 Cb 1.21 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 3cia h ARG 585 CO 0.85 -0.33 0.39 1.17 -1.07 0.00 0.00 179.97 180.99 3cia n LYS 586 N -3.99 0.19 0.00 0.04 4.81 -1.26 -0.06 118.16 117.90 3cia n LYS 586 Ca -0.06 -0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 3cia n LYS 586 Cb 0.20 -1.54 0.00 0.00 0.02 0.00 0.00 35.03 33.71 3cia n LYS 586 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3cia n LEU 587 N 2.90 0.00 0.00 3.14 7.94 -1.21 -4.96 117.00 124.81 3cia n LEU 587 Ca 0.04 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 3cia n LEU 587 Cb 0.09 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.04 3cia n LEU 587 CO 0.23 0.18 -0.14 2.30 -1.11 0.00 0.00 177.39 178.85 3cia n ILE 588 N 0.00 0.00 0.24 1.96 -5.35 0.47 -4.78 119.36 111.90 3cia n ILE 588 Ca 0.00 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.34 3cia n ILE 588 Cb 0.18 -0.23 -0.07 0.00 -1.74 0.00 0.00 39.64 37.78 3cia n ILE 588 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3cia h VAL 589 N 0.00 0.00 -0.08 7.28 2.07 -0.71 0.16 116.25 124.97 3cia h VAL 589 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3cia h VAL 589 Cb 0.28 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3cia h VAL 589 CO 0.00 0.00 0.12 1.55 0.02 0.00 0.00 177.57 179.26 3cia h PRO 590 N -0.78 0.00 -0.03 1.57 0.13 -1.91 -1.27 132.00 129.71 3cia h PRO 590 Ca -0.05 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 3cia h PRO 590 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3cia h PRO 590 CO -0.02 0.00 -0.08 1.25 -0.23 0.00 0.00 178.00 178.92 3cia h LEU 591 N 0.00 0.12 -2.06 1.56 5.85 -1.63 -2.63 115.31 116.52 3cia h LEU 591 Ca 0.04 -0.61 0.05 0.00 0.84 0.00 0.00 57.88 58.20 3cia h LEU 591 Cb 0.27 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3cia h LEU 591 CO -0.00 0.71 0.14 1.88 -0.34 0.00 0.00 178.44 180.83 3cia h TYR 592 N -0.47 0.00 0.21 1.25 0.05 0.39 -1.53 116.97 116.87 3cia h TYR 592 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3cia h TYR 592 Cb 0.70 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.44 3cia h TYR 592 CO 0.13 0.00 -0.10 0.87 -1.05 0.00 0.00 178.16 178.01 3cia h LYS 593 N 0.00 -0.27 -0.88 4.88 1.57 -1.26 -0.05 116.57 120.56 3cia h LYS 593 Ca 0.09 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 59.07 3cia h LYS 593 Cb 0.36 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.66 3cia h LYS 593 CO -0.00 -0.18 0.58 0.93 -0.57 0.00 0.00 179.45 180.21 3cia h GLU 594 N -0.38 0.46 -0.21 3.15 4.39 -1.45 -1.32 114.58 119.22 3cia h GLU 594 Ca -0.03 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 3cia h GLU 594 Cb 0.21 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 3cia h GLU 594 CO 0.05 0.30 0.02 1.25 -1.16 0.00 0.00 179.01 179.47 3cia h LEU 595 N 0.47 0.35 -6.12 1.33 5.85 -1.30 -3.27 115.31 112.61 3cia h LEU 595 Ca 0.46 -0.28 -0.75 0.00 0.84 0.00 0.00 57.88 58.14 3cia h LEU 595 Cb 1.03 -0.09 -0.15 0.00 0.37 0.00 0.00 40.66 41.83 3cia h LEU 595 CO -0.18 0.54 2.15 0.00 -0.34 0.00 0.00 178.44 180.61 3cia n ALA 596 N -2.31 5.97 -1.89 1.25 0.00 -0.03 -0.77 120.51 122.72 3cia n ALA 596 Ca -0.04 -4.24 0.00 0.00 0.00 0.00 0.00 53.44 49.16 3cia n ALA 596 Cb 0.21 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 16.79 3cia n ALA 596 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3cia n LYS 597 N 2.86 0.00 -3.32 0.00 5.02 -1.24 -4.87 118.16 116.62 3cia n LYS 597 Ca 0.49 -0.21 -0.10 0.00 -2.02 0.00 0.00 58.31 56.47 3cia n LYS 597 Cb 0.31 -0.13 -0.06 0.00 -0.02 0.00 0.00 35.03 35.13 3cia n LYS 597 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3cia s ASN 598 N -0.16 0.50 0.34 4.39 2.47 -1.25 -4.99 114.94 116.24 3cia s ASN 598 Ca 0.00 -0.35 0.25 0.00 0.42 0.00 0.00 52.86 53.18 3cia s ASN 598 Cb 0.00 1.05 1.14 0.00 -1.45 0.00 0.00 41.25 41.99 3cia s ASN 598 CO 0.00 -0.35 1.18 0.00 -3.72 0.00 0.00 177.10 174.21 3cia n ALA 599 N 5.35 1.06 0.02 1.71 0.00 -1.26 0.11 120.51 127.50 3cia n ALA 599 Ca -0.00 0.65 -0.19 0.00 0.00 0.00 0.00 53.44 53.90 3cia n ALA 599 Cb 0.49 -0.81 -0.10 0.00 0.00 0.00 0.00 19.45 19.03 3cia n ALA 599 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3cia h GLU 600 N 0.00 0.69 -0.02 0.00 4.81 -1.96 -2.81 114.58 115.29 3cia h GLU 600 Ca 0.67 -0.69 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 3cia h GLU 600 Cb 2.20 0.18 0.00 0.00 0.63 0.00 0.00 28.75 31.77 3cia h GLU 600 CO -0.33 1.28 -0.23 1.03 -0.73 0.00 0.00 179.01 180.02 3cia h SER 601 N 0.36 0.25 0.00 1.04 0.87 0.03 -3.21 113.55 112.89 3cia h SER 601 Ca -0.10 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 3cia h SER 601 Cb 1.57 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 3cia h SER 601 CO 0.18 0.92 0.24 0.50 -0.53 0.00 0.00 176.83 178.15 3cia h LYS 602 N -0.41 0.00 0.19 2.24 3.64 0.29 -0.09 116.57 122.42 3cia h LYS 602 Ca -0.02 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.01 3cia h LYS 602 Cb 0.94 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.77 3cia h LYS 602 CO 0.05 0.00 -1.72 0.00 -2.27 0.00 0.00 179.45 175.51 3cia h ALA 603 N 1.40 0.14 -0.91 5.00 0.00 -1.50 -3.25 119.26 120.14 3cia h ALA 603 Ca 0.00 -1.12 0.14 0.00 0.00 0.00 0.00 54.91 53.93 3cia h ALA 603 Cb 0.49 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 3cia h ALA 603 CO 0.00 0.99 0.58 2.35 0.00 0.00 0.00 179.25 183.17 3cia h TRP 604 N 0.08 0.86 0.20 0.00 7.01 -1.02 -2.50 115.95 120.58 3cia h TRP 604 Ca -0.34 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.68 3cia h TRP 604 Cb 2.08 -0.27 -0.00 0.00 -2.10 0.00 0.00 29.16 28.87 3cia h TRP 604 CO 0.11 0.31 -0.14 0.00 -2.79 0.00 0.00 178.44 175.93 3cia h ALA 605 N 1.59 -0.97 -1.00 2.65 0.00 -1.60 -2.52 119.26 117.42 3cia h ALA 605 Ca 0.46 -0.07 0.38 0.00 0.00 0.00 0.00 54.91 55.68 3cia h ALA 605 Cb 0.72 0.28 -0.17 0.00 0.00 0.00 0.00 17.79 18.62 3cia h ALA 605 CO -0.22 -0.96 0.54 0.28 0.00 0.00 0.00 179.25 178.89 3cia h VAL 606 N -0.32 0.13 -0.67 0.00 2.07 -1.54 0.94 116.25 116.84 3cia h VAL 606 Ca -0.03 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 3cia h VAL 606 Cb 0.26 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 3cia h VAL 606 CO 0.02 0.02 0.18 -0.33 0.02 0.00 0.00 177.57 177.48 3cia h GLU 607 N 0.14 1.06 0.20 1.57 4.39 -1.32 -2.05 114.58 118.56 3cia h GLU 607 Ca 0.80 -0.24 -0.34 0.00 0.34 0.00 0.00 59.36 59.92 3cia h GLU 607 Cb 1.99 -0.15 0.02 0.00 -0.10 0.00 0.00 28.75 30.51 3cia h GLU 607 CO -0.70 0.93 -1.66 -0.39 -1.16 0.00 0.00 179.01 176.03 3cia h VAL 608 N 1.01 1.03 0.00 3.13 -1.51 0.04 -3.29 116.25 116.67 3cia h VAL 608 Ca 0.22 -2.55 0.00 0.00 -1.23 0.00 0.00 66.70 63.14 3cia h VAL 608 Cb 0.34 2.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.33 3cia h VAL 608 CO -0.00 0.84 0.00 0.00 -1.23 0.00 0.00 177.57 177.18 3cia n TYR 609 N -3.66 0.00 0.72 5.19 9.36 0.29 0.84 117.16 129.89 3cia n TYR 609 Ca -0.23 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.10 3cia n TYR 609 Cb 1.07 -0.28 0.08 0.00 -0.63 0.00 0.00 39.34 39.57 3cia n TYR 609 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3cia n LYS 610 N -1.28 0.19 -0.09 2.98 4.01 -0.78 -2.19 118.16 121.01 3cia n LYS 610 Ca 0.03 0.01 -0.20 0.00 -0.51 0.00 0.00 58.31 57.64 3cia n LYS 610 Cb 0.05 -1.57 -0.13 0.00 -0.51 0.00 0.00 35.03 32.88 3cia n LYS 610 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 3cia n GLN 611 N -1.82 0.68 0.04 1.97 1.13 0.25 -4.39 117.38 115.24 3cia n GLN 611 Ca 0.03 0.20 0.12 0.00 -1.94 0.00 0.00 57.00 55.41 3cia n GLN 611 Cb 0.40 -1.58 0.28 0.00 0.11 0.00 0.00 30.24 29.45 3cia n GLN 611 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3cia n ALA 612 N -3.21 2.98 0.15 -1.58 0.00 -0.37 -4.16 120.51 114.32 3cia n ALA 612 Ca -0.42 -0.24 -0.14 0.00 0.00 0.00 0.00 53.44 52.65 3cia n ALA 612 Cb 1.00 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 19.16 3cia n ALA 612 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3cia h ARG 613 N 0.00 -0.54 -6.42 0.00 1.12 -1.64 -3.29 114.38 103.60 3cia h ARG 613 Ca 0.00 0.04 -0.54 0.00 -1.11 0.00 0.00 59.98 58.37 3cia h ARG 613 Cb 0.63 0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.71 3cia h ARG 613 CO 0.00 -0.36 0.71 -1.25 -3.11 0.00 0.00 179.97 175.96 3cia s PRO 614 N -6.03 4.34 0.00 0.20 0.04 -1.26 -2.68 135.00 129.61 3cia s PRO 614 Ca -0.16 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.75 3cia s PRO 614 Cb 0.07 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.16 3cia s PRO 614 CO 0.64 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 177.65 3cia n GLY 615 N 3.45 3.10 3.68 0.56 0.00 -1.26 -5.05 105.19 109.66 3cia n GLY 615 Ca 0.11 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.65 3cia n GLY 615 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cia n TYR 616 N 0.00 1.42 -2.15 1.61 4.01 -1.09 -4.83 117.16 116.13 3cia n TYR 616 Ca 0.00 0.42 -0.34 0.00 -0.16 0.00 0.00 57.90 57.82 3cia n TYR 616 Cb 0.00 -2.19 0.01 0.00 -0.31 0.00 0.00 39.34 36.85 3cia n TYR 616 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3cia s HIS 617 N -1.55 2.73 0.25 -0.72 5.65 -1.25 -4.81 115.29 115.58 3cia s HIS 617 Ca 0.79 1.55 -0.04 0.00 0.25 0.00 0.00 55.06 57.61 3cia s HIS 617 Cb -0.37 -3.20 0.47 0.00 -1.18 0.00 0.00 32.58 28.29 3cia s HIS 617 CO 0.44 -1.46 1.71 0.78 -0.65 0.00 0.00 174.74 175.56 3cia h GLY 618 N 0.87 1.11 1.74 1.59 0.00 -1.95 -0.69 103.07 105.73 3cia h GLY 618 Ca -0.49 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3cia h GLY 618 CO 0.56 -0.15 0.12 1.41 0.00 0.00 0.00 176.54 178.49 3cia h LEU 619 N 0.37 0.00 0.00 3.11 3.38 -1.91 -1.43 115.31 118.83 3cia h LEU 619 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3cia h LEU 619 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3cia h LEU 619 CO -0.45 0.00 -0.69 0.00 0.09 0.00 0.00 178.44 177.39 3cia n ALA 620 N -1.90 0.61 -0.33 1.53 0.00 -0.35 -3.98 120.51 116.08 3cia n ALA 620 Ca -0.02 -0.61 0.02 0.00 0.00 0.00 0.00 53.44 52.83 3cia n ALA 620 Cb 0.17 0.02 0.08 0.00 0.00 0.00 0.00 19.45 19.72 3cia n ALA 620 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3cia n GLN 621 N -4.10 -0.15 -0.26 0.00 6.02 -0.70 0.32 117.38 118.52 3cia n GLN 621 Ca -0.10 1.39 -0.03 0.00 -0.01 0.00 0.00 57.00 58.25 3cia n GLN 621 Cb 0.36 -2.06 0.02 0.00 1.02 0.00 0.00 30.24 29.58 3cia n GLN 621 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3cia h GLY 622 N 0.00 0.01 0.75 1.08 0.00 -1.47 1.05 103.07 104.48 3cia h GLY 622 Ca 0.37 0.44 -0.00 0.00 0.00 0.00 0.00 47.33 48.13 3cia h GLY 622 CO -0.90 -0.22 -0.00 -0.84 0.00 0.00 0.00 176.54 174.58 3cia h THR 623 N -0.10 1.19 0.00 4.70 2.02 -0.26 -2.92 112.91 117.53 3cia h THR 623 Ca 0.28 -0.59 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 3cia h THR 623 Cb 0.57 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 3cia h THR 623 CO -0.77 0.15 -0.25 0.58 0.37 0.00 0.00 175.52 175.60 3cia h VAL 624 N -0.26 1.17 0.00 3.16 2.07 -0.78 -2.07 116.25 119.54 3cia h VAL 624 Ca -0.00 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 3cia h VAL 624 Cb 0.26 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3cia h VAL 624 CO 0.00 0.25 -0.01 0.44 0.02 0.00 0.00 177.57 178.26 3cia h ASP 625 N 0.00 0.00 0.02 0.57 3.32 0.13 -2.66 116.42 117.81 3cia h ASP 625 Ca -0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 3cia h ASP 625 Cb 0.45 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 3cia h ASP 625 CO 0.03 0.01 -1.70 0.61 -1.72 0.00 0.00 179.24 176.48 3cia n GLY 626 N -0.76 -0.69 0.00 2.75 0.00 -0.80 -4.26 105.19 101.43 3cia n GLY 626 Ca -0.02 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.06 3cia n GLY 626 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3cia n VAL 627 N -4.15 0.21 -1.70 1.61 0.24 -1.09 -2.27 118.33 111.17 3cia n VAL 627 Ca -0.37 0.05 -0.14 0.00 -2.04 0.00 0.00 64.34 61.85 3cia n VAL 627 Cb 0.81 -0.80 0.12 0.00 -1.47 0.00 0.00 33.84 32.49 3cia n VAL 627 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3cia n LEU 628 N -1.11 4.60 0.00 1.34 7.94 -1.01 -4.71 117.00 124.05 3cia n LEU 628 Ca 0.10 -4.26 0.00 0.00 -1.11 0.00 0.00 56.01 50.74 3cia n LEU 628 Cb 0.08 -0.54 0.00 0.00 0.53 0.00 0.00 43.42 43.49 3cia n LEU 628 CO 0.10 1.66 0.00 1.17 -1.11 0.00 0.00 177.39 179.21