#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 1.90 -3.57 -5.08 -2.24 -1.26 -4.54 114.28 99.48 3cia n THR 39 Ca 0.00 -0.95 -0.24 0.00 -2.27 0.00 0.00 64.05 60.59 3cia n THR 39 Cb 0.00 -0.48 -0.16 0.00 -2.10 0.00 0.00 70.33 67.60 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 -0.44 2.05 0.00 3.42 2.15 -1.26 -4.82 116.67 117.77 3cia s ASP 40 Ca 0.33 -0.49 0.00 0.00 0.43 0.00 0.00 52.55 52.82 3cia s ASP 40 Cb 0.26 -0.05 0.00 0.00 -0.30 0.00 0.00 42.92 42.83 3cia s ASP 40 CO 0.09 -0.34 0.00 0.00 -0.17 0.00 0.00 175.17 174.74 3cia n ALA 41 N 5.29 0.00 -0.49 3.66 0.00 -1.26 -4.34 120.51 123.37 3cia n ALA 41 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3cia n ALA 41 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.53 0.00 -4.04 0.00 4.02 -1.26 -4.84 117.16 110.51 3cia n TYR 42 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.64 3cia n TYR 42 Cb 0.00 -1.41 -0.17 0.00 -0.02 0.00 0.00 39.34 37.74 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 -0.84 0.93 -0.56 -0.72 -1.32 -1.26 -4.96 115.64 106.91 3cia s THR 43 Ca 0.00 -0.26 0.25 0.00 -1.21 0.00 0.00 61.69 60.47 3cia s THR 43 Cb 0.00 -0.95 0.31 0.00 -1.51 0.00 0.00 72.50 70.35 3cia s THR 43 CO 0.00 0.34 1.71 1.88 -2.21 0.00 0.00 174.62 176.34 3cia h TYR 44 N 7.89 0.00 -1.96 9.09 0.05 -1.88 -3.46 116.97 126.70 3cia h TYR 44 Ca -0.30 0.00 -0.64 0.00 0.05 0.00 0.00 58.73 57.85 3cia h TYR 44 Cb 1.14 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.90 3cia h TYR 44 CO 0.48 0.00 1.02 0.00 -1.05 0.00 0.00 178.16 178.61 3cia n ALA 45 N -1.93 0.68 -1.87 3.88 0.00 -1.26 -4.80 120.51 115.21 3cia n ALA 45 Ca 0.05 0.32 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 3cia n ALA 45 Cb 0.46 -2.42 -0.01 0.00 0.00 0.00 0.00 19.45 17.48 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 5.99 6.28 0.00 0.00 6.94 -1.26 -4.64 115.26 128.56 3cia n ASN 46 Ca 0.23 -2.93 0.04 0.00 -0.02 0.00 0.00 54.58 51.90 3cia n ASN 46 Cb 0.26 -1.52 0.23 0.00 -2.36 0.00 0.00 39.78 36.40 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 3.89 0.00 -0.12 -2.53 4.11 -1.26 -1.02 117.16 120.23 3cia n TYR 47 Ca 0.57 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 58.37 3cia n TYR 47 Cb 0.31 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.63 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 0.55 0.00 9.48 3.58 -2.00 -3.38 116.42 124.65 3cia h ASP 48 Ca 0.00 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.20 3cia h ASP 48 Cb 0.00 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 40.90 3cia h ASP 48 CO 0.00 0.65 -1.09 0.00 -2.88 0.00 0.00 179.24 175.92 3cia n GLN 49 N -4.60 1.30 -4.95 0.28 10.64 -0.19 -4.89 117.38 114.97 3cia n GLN 49 Ca -0.01 -0.01 -0.27 0.00 -1.83 0.00 0.00 57.00 54.87 3cia n GLN 49 Cb 0.21 -1.04 -0.16 0.00 -0.86 0.00 0.00 30.24 28.38 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 -2.09 1.59 -0.07 -0.39 0.11 -1.15 -0.87 120.40 117.53 3cia s VAL 50 Ca -0.01 -0.82 -0.03 0.00 -2.93 0.00 0.00 61.98 58.20 3cia s VAL 50 Cb 0.01 -1.35 0.04 0.00 -1.53 0.00 0.00 36.38 33.55 3cia s VAL 50 CO 0.07 0.45 0.10 -0.54 -3.33 0.00 0.00 175.10 171.86 3cia s LYS 51 N -0.11 -0.02 0.24 1.54 1.02 -0.63 -4.19 119.74 117.60 3cia s LYS 51 Ca -0.01 0.40 -0.30 0.00 0.02 0.00 0.00 55.97 56.08 3cia s LYS 51 Cb -0.11 -0.56 -0.10 0.00 -0.52 0.00 0.00 37.83 36.54 3cia s LYS 51 CO 0.02 -0.36 1.37 0.00 -0.92 0.00 0.00 175.35 175.46 3cia s ALA 52 N 2.22 3.57 -0.39 5.17 0.00 -1.26 -1.54 121.76 129.52 3cia s ALA 52 Ca 0.04 1.24 0.09 0.00 0.00 0.00 0.00 51.96 53.33 3cia s ALA 52 Cb -0.12 -3.52 -0.10 0.00 0.00 0.00 0.00 23.12 19.38 3cia s ALA 52 CO -0.05 -0.65 0.37 0.25 0.00 0.00 0.00 175.76 175.68 3cia n THR 53 N 2.21 0.00 -3.86 0.00 -2.24 0.44 -4.47 114.28 106.36 3cia n THR 53 Ca 0.06 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.46 3cia n THR 53 Cb 0.41 0.95 -0.06 0.00 -2.10 0.00 0.00 70.33 69.53 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 -1.90 0.19 -0.12 4.78 2.46 -1.24 -2.16 115.29 117.29 3cia s HIS 54 Ca 0.03 -0.56 -0.04 0.00 0.47 0.00 0.00 55.06 54.96 3cia s HIS 54 Cb 0.07 0.05 0.06 0.00 -0.13 0.00 0.00 32.58 32.63 3cia s HIS 54 CO 0.37 -0.71 0.17 0.08 -2.47 0.00 0.00 174.74 172.17 3cia s VAL 55 N -3.91 -0.26 -0.28 0.89 1.01 -0.01 -2.87 120.40 114.98 3cia s VAL 55 Ca 0.12 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 3cia s VAL 55 Cb 0.03 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 3cia s VAL 55 CO -0.04 0.01 0.23 -0.47 0.00 0.00 0.00 175.10 174.83 3cia s TYR 56 N 2.28 3.23 -0.23 5.22 6.14 -0.73 -2.26 117.35 131.00 3cia s TYR 56 Ca 0.04 0.19 -0.08 0.00 0.64 0.00 0.00 57.07 57.86 3cia s TYR 56 Cb -0.13 -2.42 -0.03 0.00 0.42 0.00 0.00 41.96 39.79 3cia s TYR 56 CO -0.08 -0.17 0.08 -0.51 0.64 0.00 0.00 175.55 175.51 3cia s LEU 57 N 1.82 3.56 -0.99 6.97 2.01 -0.87 0.38 118.68 131.56 3cia s LEU 57 Ca 0.09 -0.13 -0.07 0.00 0.01 0.00 0.00 54.13 54.03 3cia s LEU 57 Cb -0.16 -1.94 0.25 0.00 0.01 0.00 0.00 46.19 44.34 3cia s LEU 57 CO 0.11 0.01 0.93 -0.62 1.01 0.00 0.00 176.35 177.80 3cia s ASP 58 N 1.32 6.77 0.20 2.29 -1.08 0.24 -0.34 116.67 126.07 3cia s ASP 58 Ca 0.05 -3.46 0.08 0.00 -0.52 0.00 0.00 52.55 48.70 3cia s ASP 58 Cb -0.15 -2.11 -0.04 0.00 -1.46 0.00 0.00 42.92 39.16 3cia s ASP 58 CO 0.04 -0.30 -0.03 -0.76 0.52 0.00 0.00 175.17 174.63 3cia s LEU 59 N -1.02 3.18 -0.09 -1.34 2.01 -0.06 -2.09 118.68 119.28 3cia s LEU 59 Ca 0.27 -0.52 0.04 0.00 0.01 0.00 0.00 54.13 53.93 3cia s LEU 59 Cb -0.10 -1.81 0.00 0.00 0.01 0.00 0.00 46.19 44.30 3cia s LEU 59 CO -0.09 0.07 -0.21 0.21 1.01 0.00 0.00 176.35 177.34 3cia s ASN 60 N -3.10 2.74 -0.75 2.29 2.47 -0.81 -1.63 114.94 116.16 3cia s ASN 60 Ca 0.28 -0.49 -0.22 0.00 0.42 0.00 0.00 52.86 52.85 3cia s ASN 60 Cb -0.08 -1.24 0.09 0.00 -1.45 0.00 0.00 41.25 38.56 3cia s ASN 60 CO 0.18 0.13 1.03 -0.69 -3.72 0.00 0.00 177.10 174.03 3cia s VAL 61 N 0.41 4.42 -0.44 -5.21 1.01 0.38 -2.43 120.40 118.54 3cia s VAL 61 Ca -0.17 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 3cia s VAL 61 Cb -0.17 -4.73 0.04 0.00 0.00 0.00 0.00 36.38 31.52 3cia s VAL 61 CO 0.07 -1.49 0.36 -0.62 0.00 0.00 0.00 175.10 173.42 3cia s ASP 62 N 3.73 6.14 0.05 3.32 -1.08 -0.71 -4.71 116.67 123.41 3cia s ASP 62 Ca 0.26 -1.07 0.23 0.00 -0.52 0.00 0.00 52.55 51.45 3cia s ASP 62 Cb -0.13 -2.18 0.94 0.00 -1.46 0.00 0.00 42.92 40.10 3cia s ASP 62 CO 0.04 -0.56 1.73 0.49 0.52 0.00 0.00 175.17 177.39 3cia n PHE 63 N 5.24 0.20 0.03 -5.34 3.72 -1.26 -0.48 117.46 119.57 3cia n PHE 63 Ca -0.11 0.07 -0.15 0.00 -0.05 0.00 0.00 57.45 57.20 3cia n PHE 63 Cb 0.46 -0.61 -0.14 0.00 -0.94 0.00 0.00 39.48 38.25 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 0.27 0.03 4.37 3.45 -1.96 -3.33 116.42 119.25 3cia h ASP 64 Ca 0.00 -0.44 0.00 0.00 0.43 0.00 0.00 57.03 57.02 3cia h ASP 64 Cb 0.43 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 3cia h ASP 64 CO 0.00 1.38 -0.73 0.29 -1.57 0.00 0.00 179.24 178.61 3cia n LYS 65 N -3.35 0.54 -3.62 3.56 4.76 -1.22 -4.97 118.16 113.85 3cia n LYS 65 Ca -0.18 -0.44 -0.24 0.00 -2.87 0.00 0.00 58.31 54.58 3cia n LYS 65 Cb 1.04 -1.49 0.04 0.00 -1.84 0.00 0.00 35.03 32.78 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 -0.85 -2.92 -3.78 1.97 5.02 0.37 -4.47 118.16 113.51 3cia n LYS 66 Ca 0.07 0.59 -0.13 0.00 -2.02 0.00 0.00 58.31 56.82 3cia n LYS 66 Cb 0.39 -4.87 -0.10 0.00 -0.02 0.00 0.00 35.03 30.44 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 -3.84 -0.21 -0.22 4.39 1.04 -0.46 -3.17 113.70 111.22 3cia s SER 67 Ca 0.27 0.25 -0.10 0.00 0.48 0.00 0.00 55.95 56.86 3cia s SER 67 Cb -0.08 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.42 3cia s SER 67 CO 0.82 -0.31 0.13 -0.76 0.98 0.00 0.00 173.24 174.11 3cia s LEU 68 N -0.76 4.03 -0.03 2.42 1.43 -1.25 -1.74 118.68 122.79 3cia s LEU 68 Ca -0.08 0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 53.12 3cia s LEU 68 Cb -0.04 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.14 3cia s LEU 68 CO 0.02 0.10 0.02 -0.94 0.23 0.00 0.00 176.35 175.79 3cia s SER 69 N 0.83 0.36 0.00 2.29 1.04 -1.02 0.13 113.70 117.34 3cia s SER 69 Ca 0.07 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.51 3cia s SER 69 Cb -0.13 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.85 3cia s SER 69 CO 0.02 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.72 3cia n GLY 70 N 4.33 -0.50 3.52 7.32 0.00 -1.07 -1.92 105.19 116.87 3cia n GLY 70 Ca -0.24 0.58 -0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.52 -0.16 1.61 -0.12 -0.89 -2.71 117.98 115.20 3cia s PHE 71 Ca 0.00 0.77 -0.02 0.00 -0.05 0.00 0.00 56.93 57.63 3cia s PHE 71 Cb 0.00 0.46 -0.02 0.00 -0.63 0.00 0.00 43.02 42.83 3cia s PHE 71 CO 0.00 -0.56 -0.09 0.00 -0.05 0.00 0.00 175.22 174.52 3cia s ALA 72 N -1.76 2.76 -0.35 1.99 0.00 0.42 -0.60 121.76 124.23 3cia s ALA 72 Ca -0.05 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.00 3cia s ALA 72 Cb -0.00 -1.42 0.10 0.00 0.00 0.00 0.00 23.12 21.80 3cia s ALA 72 CO 0.02 0.07 0.07 -2.00 0.00 0.00 0.00 175.76 173.93 3cia s GLU 73 N 0.63 1.58 0.34 0.00 2.12 0.16 -0.82 118.70 122.71 3cia s GLU 73 Ca -0.05 -1.86 -0.25 0.00 0.36 0.00 0.00 54.97 53.17 3cia s GLU 73 Cb -0.15 -3.26 -0.10 0.00 0.26 0.00 0.00 34.13 30.87 3cia s GLU 73 CO 0.03 -0.95 0.94 -0.51 -0.54 0.00 0.00 175.26 174.23 3cia s LEU 74 N 0.94 4.28 -0.12 2.70 2.01 -0.47 -1.77 118.68 126.25 3cia s LEU 74 Ca 0.10 1.82 0.01 0.00 0.01 0.00 0.00 54.13 56.07 3cia s LEU 74 Cb -0.20 -4.09 -0.01 0.00 0.01 0.00 0.00 46.19 41.91 3cia s LEU 74 CO -0.07 -0.11 -0.17 -0.44 1.01 0.00 0.00 176.35 176.57 3cia s SER 75 N -1.70 3.64 0.22 2.29 0.01 -1.14 -1.67 113.70 115.36 3cia s SER 75 Ca 0.52 -0.43 0.09 0.00 1.31 0.00 0.00 55.95 57.44 3cia s SER 75 Cb -0.17 -1.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.48 3cia s SER 75 CO 0.22 0.15 -0.06 -0.76 0.41 0.00 0.00 173.24 173.20 3cia s LEU 76 N 0.42 3.05 -0.16 2.44 1.43 -1.06 -0.42 118.68 124.39 3cia s LEU 76 Ca -0.13 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 3cia s LEU 76 Cb -0.17 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.43 3cia s LEU 76 CO 0.06 0.06 -0.11 -1.81 0.23 0.00 0.00 176.35 174.77 3cia s ASP 77 N -3.22 2.90 0.06 2.29 1.11 -0.59 -4.76 116.67 114.46 3cia s ASP 77 Ca 0.28 -0.63 0.01 0.00 0.18 0.00 0.00 52.55 52.39 3cia s ASP 77 Cb -0.08 -1.14 -0.04 0.00 1.07 0.00 0.00 42.92 42.73 3cia s ASP 77 CO 0.17 -0.11 0.15 0.26 1.18 0.00 0.00 175.17 176.82 3cia s TRP 78 N 1.49 3.37 -0.06 4.23 0.52 -1.26 -1.60 118.94 125.63 3cia s TRP 78 Ca 0.02 0.18 0.03 0.00 0.02 0.00 0.00 56.10 56.35 3cia s TRP 78 Cb -0.14 -1.70 -0.06 0.00 -1.15 0.00 0.00 33.47 30.42 3cia s TRP 78 CO -0.09 0.56 -0.01 1.19 0.02 0.00 0.00 176.95 178.61 3cia n PHE 79 N 0.43 0.00 -3.11 -1.98 3.01 -0.05 -4.99 117.46 110.77 3cia n PHE 79 Ca -0.07 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.00 3cia n PHE 79 Cb 0.51 -0.28 -0.05 0.00 -0.01 0.00 0.00 39.48 39.66 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 -2.14 5.04 0.40 4.37 -4.23 -1.25 -4.97 115.64 112.86 3cia s THR 80 Ca -0.05 1.34 0.36 0.00 -1.18 0.00 0.00 61.69 62.16 3cia s THR 80 Cb 0.02 -3.99 0.39 0.00 1.34 0.00 0.00 72.50 70.26 3cia s THR 80 CO 0.21 0.29 2.16 0.44 -0.54 0.00 0.00 174.62 177.17 3cia h ASP 81 N 6.57 0.00 -2.94 3.99 3.32 -1.97 -3.45 116.42 121.93 3cia h ASP 81 Ca -0.42 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.08 3cia h ASP 81 Cb 1.19 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 3cia h ASP 81 CO 0.74 0.03 -0.33 0.54 -1.72 0.00 0.00 179.24 178.50 3cia s ASN 82 N -5.61 6.41 0.40 6.45 4.22 -1.26 -4.99 114.94 120.55 3cia s ASN 82 Ca -0.02 0.45 -0.25 0.00 -2.14 0.00 0.00 52.86 50.90 3cia s ASN 82 Cb 0.12 -2.03 -0.11 0.00 1.28 0.00 0.00 41.25 40.50 3cia s ASN 82 CO 0.50 -0.01 1.08 0.29 -2.04 0.00 0.00 177.10 176.93 3cia n LYS 83 N -0.41 1.53 -3.67 3.55 5.02 -1.26 -4.96 118.16 117.96 3cia n LYS 83 Ca -0.04 0.54 -0.14 0.00 -2.02 0.00 0.00 58.31 56.66 3cia n LYS 83 Cb 0.53 -2.11 -0.07 0.00 -0.02 0.00 0.00 35.03 33.36 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 -1.22 -1.07 0.76 7.82 0.00 -1.26 -5.13 121.76 121.67 3cia s ALA 84 Ca 0.61 0.51 -0.12 0.00 0.00 0.00 0.00 51.96 52.97 3cia s ALA 84 Cb -0.57 0.17 0.05 0.00 0.00 0.00 0.00 23.12 22.77 3cia s ALA 84 CO 0.58 -0.36 1.11 -2.14 0.00 0.00 0.00 175.76 174.95 3cia s PRO 85 N -1.78 2.43 -0.34 0.00 0.02 -1.26 -4.58 135.00 129.50 3cia s PRO 85 Ca -0.10 0.43 -0.11 0.00 0.02 0.00 0.00 61.00 61.24 3cia s PRO 85 Cb -0.02 -1.98 -0.01 0.00 0.02 0.00 0.00 34.50 32.52 3cia s PRO 85 CO 0.03 -1.33 0.20 -1.17 -0.33 0.00 0.00 177.00 174.40 3cia s LEU 86 N -5.53 4.41 -0.16 -5.54 0.20 -0.91 -4.89 118.68 106.26 3cia s LEU 86 Ca 0.60 -0.56 -0.07 0.00 0.69 0.00 0.00 54.13 54.79 3cia s LEU 86 Cb -0.12 -2.07 -0.04 0.00 -0.43 0.00 0.00 46.19 43.53 3cia s LEU 86 CO 0.52 -0.25 0.06 -0.63 -0.29 0.00 0.00 176.35 175.76 3cia s ILE 87 N 1.66 4.80 0.14 6.68 1.01 -1.26 -1.45 121.20 132.77 3cia s ILE 87 Ca 0.05 -0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.71 3cia s ILE 87 Cb -0.18 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 3cia s ILE 87 CO 0.08 0.50 -0.12 -0.76 0.00 0.00 0.00 174.94 174.64 3cia s LEU 88 N 0.04 2.49 0.18 2.97 1.43 0.23 -4.14 118.68 121.87 3cia s LEU 88 Ca 0.06 -0.94 -0.04 0.00 -1.03 0.00 0.00 54.13 52.18 3cia s LEU 88 Cb -0.12 -0.46 -0.05 0.00 0.03 0.00 0.00 46.19 45.59 3cia s LEU 88 CO 0.01 -0.24 0.41 -1.81 0.23 0.00 0.00 176.35 174.95 3cia s ASP 89 N -2.92 6.47 0.23 2.29 1.01 0.24 -1.46 116.67 122.53 3cia s ASP 89 Ca 0.14 0.59 -0.20 0.00 0.71 0.00 0.00 52.55 53.79 3cia s ASP 89 Cb -0.01 -2.09 0.03 0.00 1.01 0.00 0.00 42.92 41.86 3cia s ASP 89 CO 0.02 -0.00 0.63 0.28 0.21 0.00 0.00 175.17 176.31 3cia s THR 90 N -1.76 0.01 0.00 -1.27 -1.32 -1.22 -2.89 115.64 107.19 3cia s THR 90 Ca 0.41 -0.78 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 3cia s THR 90 Cb -0.12 -1.71 0.00 0.00 -1.51 0.00 0.00 72.50 69.16 3cia s THR 90 CO 0.26 -0.03 0.00 -1.14 -2.21 0.00 0.00 174.62 171.50 3cia n ARG 91 N -0.41 0.00 -2.98 7.08 0.63 -1.18 -2.97 116.66 116.82 3cia n ARG 91 Ca -0.08 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.60 3cia n ARG 91 Cb 0.61 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 -0.52 3.79 -4.85 6.15 8.00 -1.26 -4.36 116.55 123.50 3cia n ASP 92 Ca 0.00 -3.56 -0.37 0.00 0.71 0.00 0.00 54.79 51.57 3cia n ASP 92 Cb 0.00 -0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 40.47 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 -3.28 4.37 -0.23 0.64 1.02 -1.26 -3.22 118.68 116.72 3cia s LEU 93 Ca 0.47 0.50 -0.10 0.00 0.02 0.00 0.00 54.13 55.03 3cia s LEU 93 Cb 0.29 -2.15 -0.05 0.00 0.02 0.00 0.00 46.19 44.31 3cia s LEU 93 CO -0.13 0.36 0.14 -0.69 0.02 0.00 0.00 176.35 176.05 3cia s VAL 94 N -0.80 5.28 -0.14 -1.59 1.01 -0.38 -4.97 120.40 118.81 3cia s VAL 94 Ca 0.15 0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.18 3cia s VAL 94 Cb -0.13 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 3cia s VAL 94 CO 0.04 0.38 0.19 -0.63 0.00 0.00 0.00 175.10 175.08 3cia s ILE 95 N 0.86 5.39 -0.10 2.22 -1.09 -1.26 -1.09 121.20 126.13 3cia s ILE 95 Ca 0.07 0.33 -0.13 0.00 -2.23 0.00 0.00 60.65 58.70 3cia s ILE 95 Cb -0.13 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 3cia s ILE 95 CO 0.03 0.53 -0.24 1.41 -1.23 0.00 0.00 174.94 175.43 3cia n HIS 96 N 2.65 0.00 -4.21 3.97 8.25 0.60 -4.97 115.22 121.51 3cia n HIS 96 Ca -0.17 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.12 3cia n HIS 96 Cb 0.53 -0.35 -0.07 0.00 1.12 0.00 0.00 29.99 31.23 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 -2.61 1.80 -0.06 -0.41 1.70 -1.23 -5.01 118.95 113.14 3cia s ARG 97 Ca -0.20 -1.91 0.02 0.00 -0.47 0.00 0.00 55.73 53.16 3cia s ARG 97 Cb 0.03 0.37 0.02 0.00 -0.57 0.00 0.00 34.95 34.79 3cia s ARG 97 CO 0.30 -0.69 -0.08 0.08 -1.08 0.00 0.00 175.30 173.82 3cia s VAL 98 N -3.32 0.84 0.20 4.99 1.01 -1.26 0.12 120.40 122.98 3cia s VAL 98 Ca 0.37 -0.30 0.10 0.00 0.00 0.00 0.00 61.98 62.15 3cia s VAL 98 Cb 0.02 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 3cia s VAL 98 CO 0.24 0.29 -0.12 -0.04 0.00 0.00 0.00 175.10 175.48 3cia s MET 99 N 0.80 1.96 0.04 2.72 -1.94 0.01 -2.32 119.30 120.58 3cia s MET 99 Ca -0.13 -1.37 0.01 0.00 -1.71 0.00 0.00 55.69 52.49 3cia s MET 99 Cb -0.15 -2.07 -0.02 0.00 2.01 0.00 0.00 34.83 34.59 3cia s MET 99 CO 0.02 0.41 -0.06 0.00 -0.01 0.00 0.00 175.02 175.38 3cia s ALA 100 N -1.85 0.40 -0.55 3.03 0.00 -0.70 0.54 121.76 122.64 3cia s ALA 100 Ca 0.25 -0.73 -0.25 0.00 0.00 0.00 0.00 51.96 51.23 3cia s ALA 100 Cb -0.08 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.18 3cia s ALA 100 CO 0.15 -0.10 1.00 0.15 0.00 0.00 0.00 175.76 176.96 3cia s LYS 101 N -1.69 3.39 0.66 0.00 1.02 -0.73 -1.90 119.74 120.50 3cia s LYS 101 Ca -0.11 -0.10 -0.11 0.00 0.02 0.00 0.00 55.97 55.66 3cia s LYS 101 Cb -0.09 -4.03 0.17 0.00 -0.52 0.00 0.00 37.83 33.35 3cia s LYS 101 CO -0.01 -1.51 0.56 0.27 -0.92 0.00 0.00 175.35 173.74 3cia n ASN 102 N 7.68 -1.81 0.00 2.83 0.23 -1.13 -3.22 115.26 119.84 3cia n ASN 102 Ca 0.04 -0.79 0.00 0.00 -0.53 0.00 0.00 54.58 53.30 3cia n ASN 102 Cb 0.48 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 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 -4.05 0.00 -0.81 0.53 3.41 -1.26 -0.51 113.62 110.93 3cia n SER 103 Ca 0.08 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.70 3cia n SER 103 Cb 0.31 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.27 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 -0.77 0.04 -3.09 4.33 6.02 -1.26 -5.00 117.38 117.66 3cia n GLN 104 Ca 0.00 -1.37 -0.23 0.00 -0.01 0.00 0.00 57.00 55.40 3cia n GLN 104 Cb 0.00 -0.37 0.03 0.00 1.02 0.00 0.00 30.24 30.91 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 0.12 -0.52 3.45 1.08 0.00 0.34 -4.99 105.19 104.66 3cia n GLY 105 Ca 0.02 0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -5.76 3.62 -0.69 1.61 -0.21 -1.26 -4.83 119.66 112.15 3cia s GLN 106 Ca 0.32 -0.51 -0.26 0.00 0.02 0.00 0.00 55.36 54.93 3cia s GLN 106 Cb -0.15 -3.12 -0.02 0.00 1.00 0.00 0.00 33.01 30.72 3cia s GLN 106 CO 0.40 -0.02 1.85 -1.58 -2.12 0.00 0.00 175.29 173.81 3cia s TRP 107 N 1.11 1.73 0.26 0.91 0.52 -1.26 -2.84 118.94 119.37 3cia s TRP 107 Ca 0.03 0.69 0.09 0.00 0.02 0.00 0.00 56.10 56.92 3cia s TRP 107 Cb -0.14 -4.11 -0.04 0.00 -1.15 0.00 0.00 33.47 28.02 3cia s TRP 107 CO 0.02 -2.17 0.07 0.14 0.02 0.00 0.00 176.95 175.02 3cia s VAL 108 N 9.09 3.82 -0.10 4.03 -7.23 -0.80 -4.90 120.40 124.31 3cia s VAL 108 Ca 0.66 -1.72 -0.20 0.00 -1.81 0.00 0.00 61.98 58.91 3cia s VAL 108 Cb -0.11 -3.05 -0.04 0.00 0.56 0.00 0.00 36.38 33.74 3cia s VAL 108 CO 0.15 -0.36 0.58 -0.75 -0.31 0.00 0.00 175.10 174.41 3cia s LYS 109 N -3.72 4.37 0.34 4.82 2.20 -1.26 -1.72 119.74 124.77 3cia s LYS 109 Ca 0.32 0.64 0.08 0.00 -0.36 0.00 0.00 55.97 56.65 3cia s LYS 109 Cb -0.07 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 3cia s LYS 109 CO 0.22 0.08 0.12 0.14 -0.36 0.00 0.00 175.35 175.55 3cia s VAL 110 N 0.81 2.92 0.19 4.02 -7.23 -0.98 -4.94 120.40 115.20 3cia s VAL 110 Ca 0.31 -1.74 0.07 0.00 -1.81 0.00 0.00 61.98 58.81 3cia s VAL 110 Cb -0.16 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 3cia s VAL 110 CO 0.13 -0.18 0.02 0.54 -0.31 0.00 0.00 175.10 175.31 3cia s ASN 111 N -3.83 4.85 0.17 4.85 2.20 -1.26 -4.54 114.94 117.38 3cia s ASN 111 Ca 0.37 -0.40 0.02 0.00 -0.94 0.00 0.00 52.86 51.91 3cia s ASN 111 Cb -0.02 -1.05 -0.05 0.00 -2.00 0.00 0.00 41.25 38.14 3cia s ASN 111 CO 0.22 0.07 -0.01 -0.72 -2.94 0.00 0.00 177.10 173.72 3cia s TYR 112 N -1.84 1.20 -0.08 1.54 1.13 -1.26 -1.14 117.35 116.89 3cia s TYR 112 Ca 0.29 -0.99 0.05 0.00 -1.41 0.00 0.00 57.07 55.00 3cia s TYR 112 Cb -0.09 -0.68 -0.00 0.00 -1.10 0.00 0.00 41.96 40.09 3cia s TYR 112 CO 0.20 -0.19 -0.24 0.34 -2.51 0.00 0.00 175.55 173.15 3cia s ASP 113 N -3.17 2.98 -0.39 -0.18 3.68 -0.17 -5.00 116.67 114.43 3cia s ASP 113 Ca 0.23 -0.52 -0.08 0.00 2.13 0.00 0.00 52.55 54.31 3cia s ASP 113 Cb 0.06 -1.14 0.06 0.00 -1.45 0.00 0.00 42.92 40.45 3cia s ASP 113 CO 0.03 0.18 0.19 -0.22 0.13 0.00 0.00 175.17 175.49 3cia s LEU 114 N 0.16 4.83 1.03 -1.34 2.96 -1.26 -1.04 118.68 124.01 3cia s LEU 114 Ca -0.13 -1.38 -0.12 0.00 -0.22 0.00 0.00 54.13 52.28 3cia s LEU 114 Cb -0.16 -1.93 0.21 0.00 0.50 0.00 0.00 46.19 44.80 3cia s LEU 114 CO 0.07 -0.45 1.07 0.00 -1.32 0.00 0.00 176.35 175.72 3cia s ALA 115 N 1.40 0.62 0.44 5.97 0.00 0.11 -4.92 121.76 125.38 3cia s ALA 115 Ca 0.02 -0.17 -0.26 0.00 0.00 0.00 0.00 51.96 51.55 3cia s ALA 115 Cb -0.21 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 3cia s ALA 115 CO 0.02 -3.08 1.45 0.21 0.00 0.00 0.00 175.76 174.37 3cia s LYS 116 N -4.77 3.76 0.07 0.00 2.36 -1.26 -4.21 119.74 115.69 3cia s LYS 116 Ca 0.66 2.48 -0.30 0.00 -2.55 0.00 0.00 55.97 56.25 3cia s LYS 116 Cb -0.21 -2.72 -0.06 0.00 -1.05 0.00 0.00 37.83 33.80 3cia s LYS 116 CO 0.60 -0.78 1.18 0.50 1.55 0.00 0.00 175.35 178.40 3cia s ARG 117 N -2.39 4.45 0.64 4.03 3.52 -1.26 -4.45 118.95 123.50 3cia s ARG 117 Ca 0.59 1.75 -0.08 0.00 -0.13 0.00 0.00 55.73 57.87 3cia s ARG 117 Cb -0.45 -3.34 0.02 0.00 -1.56 0.00 0.00 34.95 29.62 3cia s ARG 117 CO 0.59 -0.22 0.98 0.34 -0.81 0.00 0.00 175.30 176.18 3cia s ASP 118 N 0.94 5.43 0.24 -2.12 2.15 0.36 -4.89 116.67 118.77 3cia s ASP 118 Ca 0.57 0.81 0.17 0.00 0.43 0.00 0.00 52.55 54.54 3cia s ASP 118 Cb -0.29 -1.69 0.04 0.00 -0.30 0.00 0.00 42.92 40.68 3cia s ASP 118 CO 0.30 -1.23 1.26 0.44 -0.17 0.00 0.00 175.17 175.77 3cia h ASP 119 N -0.39 0.00 0.00 -0.34 3.45 -1.96 -3.21 116.42 113.97 3cia h ASP 119 Ca -0.45 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 56.91 3cia h ASP 119 Cb 1.26 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 40.02 3cia h ASP 119 CO 0.62 0.39 -1.38 0.55 -1.57 0.00 0.00 179.24 177.84 3cia n VAL 120 N -3.06 0.39 0.89 -1.35 3.14 -1.26 -4.75 118.33 112.32 3cia n VAL 120 Ca -0.01 -0.16 0.12 0.00 -2.96 0.00 0.00 64.34 61.33 3cia n VAL 120 Cb 0.71 -0.76 0.26 0.00 -1.06 0.00 0.00 33.84 32.98 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 -2.60 0.51 0.00 6.55 4.77 -1.26 -5.06 117.00 119.91 3cia n LEU 121 Ca -0.11 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3cia n LEU 121 Cb 0.64 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3cia n LEU 121 CO 0.08 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 3cia n GLY 122 N 1.46 -0.47 3.62 -0.72 0.00 -1.21 -4.59 105.19 103.27 3cia n GLY 122 Ca 0.05 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.60 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 6.00 -0.08 1.61 0.01 -1.16 0.13 113.70 116.21 3cia s SER 123 Ca 0.00 0.04 -0.30 0.00 1.31 0.00 0.00 55.95 57.00 3cia s SER 123 Cb 0.00 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 3cia s SER 123 CO 0.00 0.02 1.23 -0.75 0.41 0.00 0.00 173.24 174.14 3cia s LYS 124 N 1.35 4.32 -0.42 12.44 2.20 -1.26 -3.41 119.74 134.96 3cia s LYS 124 Ca 0.07 1.68 -0.17 0.00 -0.36 0.00 0.00 55.97 57.19 3cia s LYS 124 Cb -0.15 -3.62 0.02 0.00 -1.51 0.00 0.00 37.83 32.58 3cia s LYS 124 CO 0.07 -0.52 0.42 -1.17 -0.36 0.00 0.00 175.35 173.78 3cia s LEU 125 N 2.58 4.93 -0.36 5.43 2.96 -0.54 0.05 118.68 133.74 3cia s LEU 125 Ca 0.56 -0.73 -0.11 0.00 -0.22 0.00 0.00 54.13 53.62 3cia s LEU 125 Cb -0.24 -2.35 0.01 0.00 0.50 0.00 0.00 46.19 44.11 3cia s LEU 125 CO 0.20 -0.57 0.20 -0.89 -1.32 0.00 0.00 176.35 173.97 3cia s THR 126 N 2.06 4.70 -0.06 3.68 2.01 -0.21 -0.60 115.64 127.22 3cia s THR 126 Ca 0.11 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.46 3cia s THR 126 Cb -0.18 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 3cia s THR 126 CO 0.13 -0.13 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.22 3cia s ILE 127 N 1.60 3.68 -0.53 1.82 1.01 -0.53 -1.00 121.20 127.25 3cia s ILE 127 Ca 0.03 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 60.00 3cia s ILE 127 Cb -0.18 -2.51 0.11 0.00 0.01 0.00 0.00 42.46 39.89 3cia s ILE 127 CO 0.07 0.58 0.50 0.21 0.00 0.00 0.00 174.94 176.29 3cia s ASN 128 N -0.87 6.18 0.08 3.58 2.47 -0.30 -2.13 114.94 123.94 3cia s ASN 128 Ca 0.13 -1.62 0.05 0.00 0.42 0.00 0.00 52.86 51.84 3cia s ASN 128 Cb -0.11 -2.21 -0.04 0.00 -1.45 0.00 0.00 41.25 37.44 3cia s ASN 128 CO 0.02 -0.83 -0.04 -0.89 -3.72 0.00 0.00 177.10 171.64 3cia s THR 129 N 1.74 3.80 0.30 -5.21 2.01 -1.26 -4.31 115.64 112.71 3cia s THR 129 Ca 0.04 -1.01 -0.27 0.00 0.31 0.00 0.00 61.69 60.77 3cia s THR 129 Cb -0.28 -2.77 -0.14 0.00 0.01 0.00 0.00 72.50 69.31 3cia s THR 129 CO 0.04 0.17 0.77 -2.65 -0.69 0.00 0.00 174.62 172.27 3cia n PRO 130 N 0.79 0.82 -1.72 4.92 -0.02 -1.26 -4.74 135.00 133.79 3cia n PRO 130 Ca -0.12 0.29 -0.61 0.00 -2.02 0.00 0.00 63.50 61.04 3cia n PRO 130 Cb 0.52 -1.55 -0.08 0.00 -0.02 0.00 0.00 33.50 32.38 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 1.43 2.01 -1.93 2.45 -0.00 -1.26 0.18 117.00 119.88 3cia n LEU 131 Ca 0.12 1.11 -0.19 0.00 -0.00 0.00 0.00 56.01 57.05 3cia n LEU 131 Cb 0.32 -1.06 -0.03 0.00 -0.00 0.00 0.00 43.42 42.65 3cia n LEU 131 CO 0.58 -0.57 -0.22 0.59 -0.00 0.00 0.00 177.39 177.76 3cia n ASN 132 N 4.91 -5.40 -4.72 1.96 5.03 -1.26 -4.78 115.26 111.00 3cia n ASN 132 Ca 0.28 0.14 -0.63 0.00 0.87 0.00 0.00 54.58 55.24 3cia n ASN 132 Cb 0.07 -4.49 -0.09 0.00 -1.02 0.00 0.00 39.78 34.26 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 -0.88 -0.72 0.99 5.41 0.00 0.13 -4.80 120.51 120.64 3cia n ALA 133 Ca -0.21 0.43 0.14 0.00 0.00 0.00 0.00 53.44 53.79 3cia n ALA 133 Cb 0.65 -2.08 0.61 0.00 0.00 0.00 0.00 19.45 18.63 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 4.82 0.03 -3.47 0.00 5.02 -1.20 -4.60 118.16 118.77 3cia n LYS 134 Ca 0.29 0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 56.50 3cia n LYS 134 Cb 0.04 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.53 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 -2.97 1.22 -0.13 1.97 1.02 -1.26 -2.55 119.74 117.04 3cia s LYS 135 Ca 0.15 -0.47 -0.10 0.00 0.02 0.00 0.00 55.97 55.56 3cia s LYS 135 Cb 0.18 0.55 0.04 0.00 -0.52 0.00 0.00 37.83 38.08 3cia s LYS 135 CO 0.50 -0.54 0.34 0.08 -0.92 0.00 0.00 175.35 174.82 3cia s VAL 136 N -3.63 -0.01 -0.15 3.17 1.01 -0.67 -1.77 120.40 118.34 3cia s VAL 136 Ca 0.03 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.06 3cia s VAL 136 Cb -0.01 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.89 3cia s VAL 136 CO -0.11 0.02 -0.21 -0.60 0.00 0.00 0.00 175.10 174.20 3cia s ARG 137 N 0.57 2.98 -0.16 2.72 3.52 0.19 -1.37 118.95 127.40 3cia s ARG 137 Ca -0.03 -0.83 -0.02 0.00 -0.13 0.00 0.00 55.73 54.71 3cia s ARG 137 Cb -0.05 -2.46 -0.02 0.00 -1.56 0.00 0.00 34.95 30.86 3cia s ARG 137 CO -0.03 -0.09 -0.09 0.08 -0.81 0.00 0.00 175.30 174.36 3cia s VAL 138 N 0.99 3.33 -0.25 7.11 1.01 0.00 -0.81 120.40 131.78 3cia s VAL 138 Ca -0.03 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 3cia s VAL 138 Cb -0.15 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3cia s VAL 138 CO -0.06 0.49 0.11 -0.31 0.00 0.00 0.00 175.10 175.34 3cia s TYR 139 N 0.65 3.16 0.24 5.22 2.02 0.33 -0.44 117.35 128.54 3cia s TYR 139 Ca -0.05 -0.14 -0.12 0.00 -0.37 0.00 0.00 57.07 56.39 3cia s TYR 139 Cb -0.15 -2.27 -0.01 0.00 -0.40 0.00 0.00 41.96 39.14 3cia s TYR 139 CO 0.02 -0.21 0.46 1.52 -1.57 0.00 0.00 175.55 175.77 3cia s TYR 140 N 1.48 0.42 0.03 2.71 1.13 -1.10 -0.29 117.35 121.73 3cia s TYR 140 Ca 0.06 -0.77 0.04 0.00 -1.41 0.00 0.00 57.07 54.99 3cia s TYR 140 Cb -0.15 0.14 -0.02 0.00 -1.10 0.00 0.00 41.96 40.83 3cia s TYR 140 CO 0.06 -0.97 -0.11 0.54 -2.51 0.00 0.00 175.55 172.55 3cia s ASN 141 N -3.03 1.32 0.48 -0.18 4.22 -0.25 -2.61 114.94 114.89 3cia s ASN 141 Ca 0.24 -0.43 -0.20 0.00 -2.14 0.00 0.00 52.86 50.33 3cia s ASN 141 Cb -0.00 -0.07 -0.09 0.00 1.28 0.00 0.00 41.25 42.38 3cia s ASN 141 CO 0.09 -0.02 1.00 -0.94 -2.04 0.00 0.00 177.10 175.20 3cia s SER 142 N -1.11 6.52 0.32 3.54 1.04 0.12 -1.25 113.70 122.88 3cia s SER 142 Ca -0.01 1.79 0.08 0.00 0.48 0.00 0.00 55.95 58.29 3cia s SER 142 Cb -0.08 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 3cia s SER 142 CO 0.01 -0.66 0.16 0.42 0.98 0.00 0.00 173.24 174.15 3cia s THR 143 N -2.18 3.32 0.39 2.02 -4.23 -1.20 -4.00 115.64 109.75 3cia s THR 143 Ca 0.64 -1.63 0.18 0.00 -1.18 0.00 0.00 61.69 59.70 3cia s THR 143 Cb -0.13 -3.04 0.18 0.00 1.34 0.00 0.00 72.50 70.85 3cia s THR 143 CO 0.21 -0.22 1.93 1.05 -0.54 0.00 0.00 174.62 177.05 3cia h GLU 144 N 1.53 0.00 0.00 3.99 9.09 -1.77 -0.86 114.58 126.56 3cia h GLU 144 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.97 3cia h GLU 144 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 3cia h GLU 144 CO 0.62 0.25 0.00 0.36 0.05 0.00 0.00 179.01 180.28 3cia n LYS 145 N -3.98 0.68 -1.68 1.06 2.85 -1.26 -4.85 118.16 110.98 3cia n LYS 145 Ca -0.02 0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 56.80 3cia n LYS 145 Cb 0.32 -1.39 -0.04 0.00 -0.65 0.00 0.00 35.03 33.28 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 -0.89 1.79 0.70 0.58 0.00 -0.33 -4.86 120.51 117.51 3cia n ALA 146 Ca 0.13 0.32 0.11 0.00 0.00 0.00 0.00 53.44 54.00 3cia n ALA 146 Cb 0.06 -2.54 0.47 0.00 0.00 0.00 0.00 19.45 17.44 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 4.63 0.51 -0.82 0.00 -2.24 -1.26 -3.39 114.28 111.71 3cia n THR 147 Ca 0.19 0.05 0.08 0.00 -2.27 0.00 0.00 64.05 62.10 3cia n THR 147 Cb 0.35 -0.75 0.31 0.00 -2.10 0.00 0.00 70.33 68.13 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 0.82 3.38 2.86 3.38 0.00 -1.24 -4.92 105.19 109.47 3cia n GLY 148 Ca 0.05 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.44 1.59 -0.24 0.99 1.43 -1.22 -1.52 118.68 117.27 3cia s LEU 149 Ca 0.45 -0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.48 3cia s LEU 149 Cb 0.34 -0.15 -0.00 0.00 0.03 0.00 0.00 46.19 46.41 3cia s LEU 149 CO 0.14 -0.04 -0.01 -1.58 0.23 0.00 0.00 176.35 175.10 3cia s GLN 150 N 0.47 3.29 -0.53 1.70 2.00 -0.19 -4.85 119.66 121.55 3cia s GLN 150 Ca -0.04 -0.69 -0.16 0.00 -2.00 0.00 0.00 55.36 52.46 3cia s GLN 150 Cb -0.07 -3.10 0.12 0.00 0.80 0.00 0.00 33.01 30.76 3cia s GLN 150 CO -0.01 -0.26 0.49 -1.58 -0.50 0.00 0.00 175.29 173.43 3cia s TRP 151 N 1.48 3.24 -0.20 1.67 0.52 -1.26 -2.65 118.94 121.74 3cia s TRP 151 Ca 0.05 -1.21 -0.12 0.00 0.02 0.00 0.00 56.10 54.84 3cia s TRP 151 Cb -0.15 -3.70 -0.05 0.00 -1.15 0.00 0.00 33.47 28.42 3cia s TRP 151 CO -0.02 -1.00 0.24 -0.51 0.02 0.00 0.00 176.95 175.69 3cia s LEU 152 N 1.67 4.18 0.69 2.99 1.43 0.77 -4.97 118.68 125.44 3cia s LEU 152 Ca 0.04 0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 53.32 3cia s LEU 152 Cb -0.29 -2.26 0.02 0.00 0.03 0.00 0.00 46.19 43.69 3cia s LEU 152 CO 0.04 0.07 1.17 -0.94 0.23 0.00 0.00 176.35 176.92 3cia s SER 153 N 0.73 4.64 0.55 2.29 1.04 -1.26 -0.53 113.70 121.15 3cia s SER 153 Ca 0.13 2.22 0.29 0.00 0.48 0.00 0.00 55.95 59.07 3cia s SER 153 Cb -0.13 -2.58 1.46 0.00 0.10 0.00 0.00 66.02 64.87 3cia s SER 153 CO 0.03 -1.96 1.92 0.00 0.98 0.00 0.00 173.24 174.22 3cia h ALA 154 N -0.05 2.55 -0.01 5.32 0.00 -1.88 0.20 119.26 125.38 3cia h ALA 154 Ca -0.48 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 3cia h ALA 154 Cb 1.28 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 3cia h ALA 154 CO 0.52 -0.86 -0.74 1.05 0.00 0.00 0.00 179.25 179.22 3cia h GLU 155 N 0.00 0.07 -0.93 0.00 4.11 -1.84 -3.04 114.58 112.95 3cia h GLU 155 Ca 0.31 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.67 3cia h GLU 155 Cb 1.35 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.61 3cia h GLU 155 CO -0.00 0.78 0.01 1.04 0.07 0.00 0.00 179.01 180.91 3cia n GLN 156 N -3.70 1.63 -4.54 1.06 6.02 0.70 -4.81 117.38 113.74 3cia n GLN 156 Ca -0.02 -0.54 -0.26 0.00 -0.01 0.00 0.00 57.00 56.18 3cia n GLN 156 Cb 0.71 -1.59 -0.11 0.00 1.02 0.00 0.00 30.24 30.28 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 -1.23 2.03 0.09 5.09 -4.23 -1.16 -4.87 115.64 111.35 3cia s THR 157 Ca 0.09 -2.13 -0.15 0.00 -1.18 0.00 0.00 61.69 58.33 3cia s THR 157 Cb 0.07 -2.72 -0.11 0.00 1.34 0.00 0.00 72.50 71.08 3cia s THR 157 CO 0.03 -0.15 1.38 0.00 -0.54 0.00 0.00 174.62 175.33 3cia h ALA 158 N 2.00 0.38 0.00 3.99 0.00 -1.87 -3.13 119.26 120.62 3cia h ALA 158 Ca -0.42 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.00 3cia h ALA 158 Cb 1.24 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3cia h ALA 158 CO 0.73 0.46 -0.23 0.78 0.00 0.00 0.00 179.25 180.99 3cia h GLY 159 N 0.40 0.00 0.00 0.00 0.00 -1.86 -3.45 103.07 98.16 3cia h GLY 159 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3cia h GLY 159 CO 0.09 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.91 3cia n LYS 160 N -4.05 0.00 -0.06 4.80 4.76 -1.16 -4.65 118.16 117.80 3cia n LYS 160 Ca -0.02 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.37 3cia n LYS 160 Cb 0.30 -2.78 -0.15 0.00 -1.84 0.00 0.00 35.03 30.56 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 -1.87 0.67 -4.16 1.97 1.02 -1.25 -4.26 120.64 112.76 3cia n GLU 161 Ca 0.00 0.01 -0.16 0.00 -0.02 0.00 0.00 57.16 56.99 3cia n GLU 161 Cb 0.00 -1.58 -0.12 0.00 -0.02 0.00 0.00 31.44 29.72 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 -2.75 0.67 1.10 3.49 1.02 -1.26 -4.91 119.74 117.11 3cia s LYS 162 Ca -0.08 -0.73 -0.17 0.00 0.02 0.00 0.00 55.97 55.01 3cia s LYS 162 Cb 0.08 -0.57 0.24 0.00 -0.52 0.00 0.00 37.83 37.06 3cia s LYS 162 CO 0.84 0.13 1.14 -1.25 -0.92 0.00 0.00 175.35 175.29 3cia s PRO 163 N -1.33 -0.44 -0.07 -1.68 0.04 -1.26 -3.97 135.00 126.30 3cia s PRO 163 Ca -0.04 0.03 -0.08 0.00 0.04 0.00 0.00 61.00 60.95 3cia s PRO 163 Cb -0.08 -1.68 0.02 0.00 0.04 0.00 0.00 34.50 32.79 3cia s PRO 163 CO 0.01 -3.21 0.21 0.12 0.04 0.00 0.00 177.00 174.17 3cia s PHE 164 N -3.15 -0.20 0.02 0.56 2.19 0.31 -4.34 117.98 113.37 3cia s PHE 164 Ca 0.70 0.48 0.03 0.00 0.33 0.00 0.00 56.93 58.46 3cia s PHE 164 Cb -0.11 0.07 -0.01 0.00 -1.31 0.00 0.00 43.02 41.65 3cia s PHE 164 CO 0.56 -0.15 -0.08 -1.17 1.83 0.00 0.00 175.22 176.21 3cia s LEU 165 N -0.13 2.12 0.00 6.12 2.96 0.22 -0.16 118.68 129.81 3cia s LEU 165 Ca -0.02 -0.31 -0.19 0.00 -0.22 0.00 0.00 54.13 53.38 3cia s LEU 165 Cb -0.02 -0.32 0.04 0.00 0.50 0.00 0.00 46.19 46.38 3cia s LEU 165 CO 0.01 -0.02 0.42 0.72 -1.32 0.00 0.00 176.35 176.16 3cia s PHE 166 N -0.66 -0.31 0.17 5.38 -0.12 -1.08 0.12 117.98 121.47 3cia s PHE 166 Ca -0.02 0.42 -0.05 0.00 -0.05 0.00 0.00 56.93 57.24 3cia s PHE 166 Cb -0.06 0.21 -0.06 0.00 -0.63 0.00 0.00 43.02 42.48 3cia s PHE 166 CO 0.00 -0.51 0.41 -1.54 -0.05 0.00 0.00 175.22 173.54 3cia s SER 167 N -1.56 6.49 -0.38 1.98 1.04 0.42 -1.02 113.70 120.68 3cia s SER 167 Ca -0.10 0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.95 3cia s SER 167 Cb -0.02 -2.10 0.13 0.00 0.10 0.00 0.00 66.02 64.13 3cia s SER 167 CO 0.03 0.01 0.21 -1.58 0.98 0.00 0.00 173.24 172.88 3cia s GLN 168 N -2.81 0.79 -0.02 4.02 2.00 -0.58 -4.77 119.66 118.30 3cia s GLN 168 Ca 0.42 -1.50 0.09 0.00 -2.00 0.00 0.00 55.36 52.37 3cia s GLN 168 Cb -0.12 -1.70 0.30 0.00 0.80 0.00 0.00 33.01 32.29 3cia s GLN 168 CO 0.25 -1.17 1.20 0.09 -0.50 0.00 0.00 175.29 175.17 3cia n ASN 169 N 3.99 1.95 -4.45 6.67 3.02 -1.26 -4.67 115.26 120.52 3cia n ASN 169 Ca 0.09 -2.07 -0.37 0.00 -0.03 0.00 0.00 54.58 52.20 3cia n ASN 169 Cb 0.37 -0.28 -0.12 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.60 3.56 -0.16 3.52 0.74 -1.26 -2.60 119.66 121.87 3cia s GLN 170 Ca 0.22 -0.55 -0.06 0.00 0.05 0.00 0.00 55.36 55.02 3cia s GLN 170 Cb 0.12 -3.42 -0.07 0.00 1.10 0.00 0.00 33.01 30.74 3cia s GLN 170 CO 0.13 -0.26 -0.19 0.00 -0.55 0.00 0.00 175.29 174.42 3cia n ALA 171 N 4.95 1.91 -3.27 1.58 0.00 -1.26 -4.83 120.51 119.59 3cia n ALA 171 Ca -0.15 -0.63 -0.26 0.00 0.00 0.00 0.00 53.44 52.39 3cia n ALA 171 Cb 0.51 0.26 -0.07 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 -3.54 2.03 -0.11 0.00 -5.35 -1.25 -4.77 119.36 106.38 3cia n ILE 172 Ca -0.30 -5.13 0.00 0.00 -0.27 0.00 0.00 62.75 57.05 3cia n ILE 172 Cb 0.74 -1.82 0.00 0.00 -1.74 0.00 0.00 39.64 36.81 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 0.63 0.00 0.01 4.28 8.25 -1.07 -4.65 115.22 122.67 3cia n HIS 173 Ca 0.29 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.72 3cia n HIS 173 Cb 0.43 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.76 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 1.15 0.00 -1.41 0.00 -1.86 -1.70 119.26 115.43 3cia h ALA 174 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3cia h ALA 174 Cb 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3cia h ALA 174 CO 0.00 0.54 -0.00 0.07 0.00 0.00 0.00 179.25 179.85 3cia h ARG 175 N 0.44 0.00 0.00 0.00 0.11 -1.83 -0.67 114.38 112.43 3cia h ARG 175 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 3cia h ARG 175 Cb 0.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.69 3cia h ARG 175 CO 0.04 0.00 0.00 -1.13 0.10 0.00 0.00 179.97 178.99 3cia n SER 176 N -3.10 0.00 -0.23 0.08 3.41 -0.64 -3.13 113.62 110.00 3cia n SER 176 Ca -0.01 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 3cia n SER 176 Cb 0.20 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.33 0.00 -3.63 7.33 4.27 -0.92 -4.53 117.44 118.63 3cia n TRP 177 Ca 0.07 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.59 3cia n TRP 177 Cb 0.15 0.08 -0.10 0.00 -1.36 0.00 0.00 31.31 30.08 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 -0.61 -0.32 -1.67 1.01 -0.30 -4.88 121.20 114.42 3cia s ILE 178 Ca 0.00 0.17 -0.28 0.00 0.00 0.00 0.00 60.65 60.53 3cia s ILE 178 Cb 0.00 -0.64 0.02 0.00 0.01 0.00 0.00 42.46 41.84 3cia s ILE 178 CO 0.00 0.06 1.04 -2.16 0.00 0.00 0.00 174.94 173.89 3cia s PRO 179 N 2.58 4.05 0.25 2.79 0.04 -1.26 -3.89 135.00 139.56 3cia s PRO 179 Ca -0.00 1.01 -0.09 0.00 0.04 0.00 0.00 61.00 61.96 3cia s PRO 179 Cb -0.12 -3.74 0.04 0.00 0.04 0.00 0.00 34.50 30.72 3cia s PRO 179 CO -0.12 -0.88 0.50 1.51 0.04 0.00 0.00 177.00 178.04 3cia n ILE 180 N 5.84 0.00 -3.22 0.56 3.06 -1.14 -4.95 119.36 119.51 3cia n ILE 180 Ca 0.11 -0.68 -0.45 0.00 -2.50 0.00 0.00 62.75 59.23 3cia n ILE 180 Cb 0.47 0.65 -0.01 0.00 0.54 0.00 0.00 39.64 41.29 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 -2.09 3.88 -0.86 9.51 -0.21 -1.26 0.81 119.66 129.43 3cia s GLN 181 Ca 0.11 -2.64 -0.25 0.00 0.02 0.00 0.00 55.36 52.60 3cia s GLN 181 Cb -0.03 -4.63 -0.02 0.00 1.00 0.00 0.00 33.01 29.33 3cia s GLN 181 CO 0.08 -1.41 1.82 0.34 -2.12 0.00 0.00 175.29 174.00 3cia s ASP 182 N 2.18 5.44 -0.15 5.90 2.15 -1.26 -4.76 116.67 126.16 3cia s ASP 182 Ca 0.28 -0.62 -0.16 0.00 0.43 0.00 0.00 52.55 52.47 3cia s ASP 182 Cb -0.08 -2.56 0.04 0.00 -0.30 0.00 0.00 42.92 40.02 3cia s ASP 182 CO -0.08 -2.43 0.45 -0.89 -0.17 0.00 0.00 175.17 172.05 3cia s THR 183 N 8.86 0.01 -1.34 1.71 2.01 -1.26 -4.61 115.64 121.01 3cia s THR 183 Ca 0.64 -0.05 0.22 0.00 0.31 0.00 0.00 61.69 62.81 3cia s THR 183 Cb -0.07 -0.65 0.34 0.00 0.01 0.00 0.00 72.50 72.13 3cia s THR 183 CO 0.02 -0.03 1.71 -2.65 -0.69 0.00 0.00 174.62 172.98 3cia n PRO 184 N 2.58 0.25 0.08 4.92 -0.02 -1.26 -2.57 135.00 138.98 3cia n PRO 184 Ca -0.14 0.09 0.12 0.00 -2.02 0.00 0.00 63.50 61.54 3cia n PRO 184 Cb 0.57 -1.50 0.13 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 -3.54 2.55 0.02 -1.79 -3.43 113.55 107.36 3cia h SER 185 Ca 0.00 -0.15 -0.67 0.00 -0.84 0.00 0.00 61.79 60.13 3cia h SER 185 Cb 0.24 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 62.48 3cia h SER 185 CO 0.00 0.08 -0.70 -0.69 -1.14 0.00 0.00 176.83 174.38 3cia s VAL 186 N -3.22 3.30 -0.14 2.27 1.01 -1.06 -4.94 120.40 117.62 3cia s VAL 186 Ca 0.05 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 3cia s VAL 186 Cb 0.12 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3cia s VAL 186 CO 0.74 0.16 0.07 -0.13 0.00 0.00 0.00 175.10 175.94 3cia s ARG 187 N 1.40 3.61 0.05 2.72 0.52 -1.26 -4.11 118.95 121.88 3cia s ARG 187 Ca 0.01 -0.29 0.00 0.00 -0.52 0.00 0.00 55.73 54.93 3cia s ARG 187 Cb -0.17 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 32.15 3cia s ARG 187 CO -0.02 0.51 -0.04 0.14 0.02 0.00 0.00 175.30 175.91 3cia s VAL 188 N -0.30 0.33 0.39 3.52 -7.23 -0.87 -4.65 120.40 111.59 3cia s VAL 188 Ca 0.09 -1.43 0.02 0.00 -1.81 0.00 0.00 61.98 58.85 3cia s VAL 188 Cb -0.12 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.80 3cia s VAL 188 CO 0.01 -0.72 0.58 0.42 -0.31 0.00 0.00 175.10 175.09 3cia s THR 189 N -2.67 4.36 0.02 5.32 -4.23 -0.92 -1.41 115.64 116.11 3cia s THR 189 Ca -0.02 -0.63 -0.04 0.00 -1.18 0.00 0.00 61.69 59.82 3cia s THR 189 Cb -0.01 -3.58 -0.01 0.00 1.34 0.00 0.00 72.50 70.24 3cia s THR 189 CO -0.04 -0.35 0.07 -0.72 -0.54 0.00 0.00 174.62 173.03 3cia s TYR 190 N -2.38 0.15 0.04 3.99 1.13 -0.89 -0.83 117.35 118.57 3cia s TYR 190 Ca 0.45 -0.35 0.04 0.00 -1.41 0.00 0.00 57.07 55.80 3cia s TYR 190 Cb -0.10 -0.12 -0.02 0.00 -1.10 0.00 0.00 41.96 40.62 3cia s TYR 190 CO 0.35 -0.27 -0.12 0.95 -2.51 0.00 0.00 175.55 173.96 3cia s THR 191 N -1.65 0.93 -0.19 -3.49 -4.23 -0.96 -0.07 115.64 105.99 3cia s THR 191 Ca -0.13 -0.99 -0.08 0.00 -1.18 0.00 0.00 61.69 59.31 3cia s THR 191 Cb -0.07 -0.88 0.08 0.00 1.34 0.00 0.00 72.50 72.97 3cia s THR 191 CO -0.00 -0.10 0.41 0.00 -0.54 0.00 0.00 174.62 174.39 3cia s ALA 192 N -0.96 -1.10 -0.50 3.99 0.00 0.99 -2.06 121.76 122.12 3cia s ALA 192 Ca -0.01 1.50 -0.19 0.00 0.00 0.00 0.00 51.96 53.26 3cia s ALA 192 Cb -0.08 -1.16 0.06 0.00 0.00 0.00 0.00 23.12 21.94 3cia s ALA 192 CO 0.01 -0.56 0.61 0.50 0.00 0.00 0.00 175.76 176.32 3cia s ARG 193 N 2.13 3.11 -0.13 0.00 3.00 0.54 -0.13 118.95 127.47 3cia s ARG 193 Ca -0.05 -0.92 -0.05 0.00 -1.00 0.00 0.00 55.73 53.72 3cia s ARG 193 Cb -0.11 -4.10 -0.04 0.00 0.00 0.00 0.00 34.95 30.71 3cia s ARG 193 CO -0.13 -1.20 0.03 0.42 0.00 0.00 0.00 175.30 174.42 3cia s ILE 194 N 2.56 4.56 -0.23 4.11 -1.09 -0.76 -0.88 121.20 129.46 3cia s ILE 194 Ca 0.14 -0.14 -0.01 0.00 -2.23 0.00 0.00 60.65 58.42 3cia s ILE 194 Cb -0.19 -2.98 0.02 0.00 -1.58 0.00 0.00 42.46 37.73 3cia s ILE 194 CO 0.12 0.55 -0.10 -0.89 -1.23 0.00 0.00 174.94 173.38 3cia s THR 195 N -0.33 2.65 0.53 2.92 2.01 -0.64 -1.62 115.64 121.15 3cia s THR 195 Ca 0.08 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 61.08 3cia s THR 195 Cb -0.12 -2.30 0.01 0.00 0.01 0.00 0.00 72.50 70.10 3cia s THR 195 CO 0.02 0.28 0.11 0.42 -0.69 0.00 0.00 174.62 174.76 3cia s THR 196 N 1.31 1.20 0.85 -0.82 -4.23 0.34 -0.47 115.64 113.82 3cia s THR 196 Ca 0.01 -1.86 -0.17 0.00 -1.18 0.00 0.00 61.69 58.49 3cia s THR 196 Cb -0.16 -2.07 -0.13 0.00 1.34 0.00 0.00 72.50 71.49 3cia s THR 196 CO -0.06 0.00 -0.45 0.47 -0.54 0.00 0.00 174.62 174.04 3cia n ASP 197 N -1.43 -4.80 -4.19 3.99 8.00 -1.26 -4.56 116.55 112.30 3cia n ASP 197 Ca -0.16 0.34 -0.56 0.00 0.71 0.00 0.00 54.79 55.13 3cia n ASP 197 Cb 0.66 -0.85 -0.08 0.00 -0.02 0.00 0.00 41.12 40.84 3cia n ASP 197 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3cia n LYS 198 N 1.71 0.00 -0.56 -1.24 5.02 -1.22 -3.55 118.16 118.32 3cia n LYS 198 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3cia n LYS 198 Cb 0.53 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 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 1.76 -0.56 -4.68 4.39 9.92 -1.26 -5.03 116.55 121.09 3cia n ASP 199 Ca 0.20 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.23 3cia n ASP 199 Cb 0.05 -0.09 -0.07 0.00 -0.64 0.00 0.00 41.12 40.37 3cia n ASP 199 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3cia s LEU 200 N 0.00 3.27 0.01 0.64 1.02 -1.26 -4.71 118.68 117.65 3cia s LEU 200 Ca 0.00 -0.63 0.08 0.00 0.02 0.00 0.00 54.13 53.59 3cia s LEU 200 Cb 0.00 -1.78 -0.03 0.00 0.02 0.00 0.00 46.19 44.40 3cia s LEU 200 CO 0.00 -0.06 -0.23 -0.22 0.02 0.00 0.00 176.35 175.86 3cia s LEU 201 N -3.73 2.30 -0.05 1.79 2.96 -0.30 -4.50 118.68 117.16 3cia s LEU 201 Ca 0.33 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 3cia s LEU 201 Cb -0.06 -1.39 -0.03 0.00 0.50 0.00 0.00 46.19 45.21 3cia s LEU 201 CO 0.21 0.29 -0.04 0.00 -1.32 0.00 0.00 176.35 175.50 3cia s ALA 202 N -0.75 3.12 0.15 5.97 0.00 -1.26 -1.69 121.76 127.31 3cia s ALA 202 Ca 0.12 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.20 3cia s ALA 202 Cb -0.10 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.68 3cia s ALA 202 CO 0.01 0.60 -0.03 0.08 0.00 0.00 0.00 175.76 176.42 3cia s VAL 203 N -0.91 0.79 0.32 0.00 1.01 0.63 -4.99 120.40 117.25 3cia s VAL 203 Ca 0.15 -1.99 -0.18 0.00 0.00 0.00 0.00 61.98 59.97 3cia s VAL 203 Cb -0.11 -1.98 0.06 0.00 0.00 0.00 0.00 36.38 34.35 3cia s VAL 203 CO 0.04 -0.61 0.88 -0.04 0.00 0.00 0.00 175.10 175.37 3cia s MET 204 N -3.86 1.95 -1.13 2.72 -1.94 -1.26 -2.49 119.30 113.29 3cia s MET 204 Ca 0.20 -1.27 -0.03 0.00 -1.71 0.00 0.00 55.69 52.89 3cia s MET 204 Cb 0.05 0.54 0.25 0.00 2.01 0.00 0.00 34.83 37.68 3cia s MET 204 CO 0.02 -0.92 2.00 -1.13 -0.01 0.00 0.00 175.02 174.98 3cia n SER 205 N -1.41 7.53 -0.97 3.03 3.41 -0.97 -4.73 113.62 119.51 3cia n SER 205 Ca -0.07 -3.49 0.00 0.00 -0.26 0.00 0.00 58.87 55.06 3cia n SER 205 Cb 0.60 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 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 0.65 0.00 -2.69 7.33 0.00 -1.26 -4.75 120.51 119.79 3cia n ALA 206 Ca 0.51 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.55 3cia n ALA 206 Cb 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.91 6.88 -0.16 0.00 0.01 0.04 -4.84 114.94 115.95 3cia s ASN 207 Ca 0.00 1.06 -0.10 0.00 -0.71 0.00 0.00 52.86 53.11 3cia s ASN 207 Cb 0.00 -2.40 -0.05 0.00 0.41 0.00 0.00 41.25 39.22 3cia s ASN 207 CO 0.00 -0.22 0.19 0.54 -1.51 0.00 0.00 177.10 176.10 3cia s ASN 208 N 0.98 6.34 0.06 -1.22 2.20 -1.26 -2.57 114.94 119.47 3cia s ASN 208 Ca 0.34 0.39 -0.08 0.00 -0.94 0.00 0.00 52.86 52.58 3cia s ASN 208 Cb -0.17 -2.12 -0.30 0.00 -2.00 0.00 0.00 41.25 36.66 3cia s ASN 208 CO 0.14 0.22 1.09 1.05 -2.94 0.00 0.00 177.10 176.66 3cia h GLU 209 N 6.17 0.35 0.00 3.55 4.11 -1.98 -3.51 114.58 123.27 3cia h GLU 209 Ca -0.45 -0.59 0.00 0.00 0.07 0.00 0.00 59.36 58.39 3cia h GLU 209 Cb 1.18 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.65 3cia h GLU 209 CO 0.71 1.28 0.00 0.54 0.07 0.00 0.00 179.01 181.61 3cia n ARG 214 N -3.58 0.00 -0.10 1.06 1.74 -1.26 -5.20 116.66 109.32 3cia n ARG 214 Ca -0.11 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.83 3cia n ARG 214 Cb 1.05 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 32.40 3cia n ARG 214 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3cia n ASP 215 N 0.00 2.41 0.00 0.55 5.68 -1.26 -4.23 116.55 119.70 3cia n ASP 215 Ca 0.00 -0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 3cia n ASP 215 Cb 0.00 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 3cia n ASP 215 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3cia n GLY 216 N 2.51 1.17 2.65 6.12 0.00 -1.23 -3.40 105.19 113.00 3cia n GLY 216 Ca -0.35 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.53 3.80 0.22 1.61 2.15 -1.26 0.13 116.67 121.79 3cia s ASP 217 Ca 0.00 -1.54 0.11 0.00 0.43 0.00 0.00 52.55 51.55 3cia s ASP 217 Cb 0.00 -0.65 -0.05 0.00 -0.30 0.00 0.00 42.92 41.92 3cia s ASP 217 CO 0.00 -0.42 -0.21 -0.31 -0.17 0.00 0.00 175.17 174.06 3cia s TYR 218 N 1.76 2.22 -0.05 -5.34 1.51 -0.64 -5.04 117.35 111.76 3cia s TYR 218 Ca 0.10 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.77 3cia s TYR 218 Cb -0.17 -1.04 0.03 0.00 -0.11 0.00 0.00 41.96 40.67 3cia s TYR 218 CO -0.28 0.56 0.11 0.12 -1.11 0.00 0.00 175.55 174.95 3cia s PHE 219 N -2.10 -0.11 0.22 2.71 5.36 -1.26 -1.83 117.98 120.97 3cia s PHE 219 Ca 0.24 0.35 0.10 0.00 -0.96 0.00 0.00 56.93 56.66 3cia s PHE 219 Cb -0.06 -0.09 -0.04 0.00 -0.34 0.00 0.00 43.02 42.48 3cia s PHE 219 CO 0.11 -0.12 -0.13 -0.06 -1.46 0.00 0.00 175.22 173.56 3cia s PHE 220 N 0.90 2.50 -0.09 10.12 0.40 0.81 -4.30 117.98 128.33 3cia s PHE 220 Ca -0.07 -0.27 -0.03 0.00 -0.60 0.00 0.00 56.93 55.95 3cia s PHE 220 Cb -0.09 -1.17 0.05 0.00 0.51 0.00 0.00 43.02 42.31 3cia s PHE 220 CO -0.04 0.58 0.14 0.45 0.70 0.00 0.00 175.22 177.05 3cia s SER 221 N -3.13 0.91 -0.44 1.36 0.15 -1.06 -0.01 113.70 111.49 3cia s SER 221 Ca 0.27 0.22 -0.03 0.00 0.70 0.00 0.00 55.95 57.11 3cia s SER 221 Cb -0.07 0.19 0.12 0.00 -1.71 0.00 0.00 66.02 64.55 3cia s SER 221 CO 0.15 -0.25 0.24 -0.32 1.20 0.00 0.00 173.24 174.25 3cia s MET 222 N 2.27 2.08 0.00 5.44 0.00 0.90 -0.78 119.30 129.21 3cia s MET 222 Ca 0.04 -1.92 0.12 0.00 0.00 0.00 0.00 55.69 53.92 3cia s MET 222 Cb -0.12 -3.61 0.63 0.00 0.00 0.00 0.00 34.83 31.73 3cia s MET 222 CO -0.06 -1.09 1.42 -0.35 0.00 0.00 0.00 175.02 174.94 3cia n PRO 223 N 4.44 1.14 -3.90 4.11 -0.04 -1.26 -2.10 135.00 137.38 3cia n PRO 223 Ca -0.01 -0.21 -0.36 0.00 -0.04 0.00 0.00 63.50 62.89 3cia n PRO 223 Cb 0.41 -1.20 -0.12 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.94 3.71 0.00 0.54 -1.52 -1.26 -4.99 119.66 114.20 3cia s GLN 224 Ca 0.18 -0.46 -0.30 0.00 -1.95 0.00 0.00 55.36 52.83 3cia s GLN 224 Cb 0.09 -3.23 -0.08 0.00 -0.22 0.00 0.00 33.01 29.57 3cia s GLN 224 CO 0.14 -0.04 1.85 0.00 -0.25 0.00 0.00 175.29 176.99 3cia s ALA 225 N 1.19 3.60 0.07 6.09 0.00 -1.26 -4.59 121.76 126.85 3cia s ALA 225 Ca 0.04 1.18 0.04 0.00 0.00 0.00 0.00 51.96 53.22 3cia s ALA 225 Cb -0.14 -3.81 -0.03 0.00 0.00 0.00 0.00 23.12 19.14 3cia s ALA 225 CO 0.03 -1.50 -0.11 0.96 0.00 0.00 0.00 175.76 175.14 3cia s ILE 226 N 4.28 0.86 0.36 0.00 -4.36 -0.50 -4.76 121.20 117.06 3cia s ILE 226 Ca 0.83 -1.30 -0.27 0.00 -0.26 0.00 0.00 60.65 59.65 3cia s ILE 226 Cb -0.39 -0.96 -0.09 0.00 1.25 0.00 0.00 42.46 42.26 3cia s ILE 226 CO 0.37 -0.36 1.14 -2.16 0.24 0.00 0.00 174.94 174.17 3cia s PRO 227 N -1.93 4.28 0.43 0.37 0.04 -1.26 -2.04 135.00 134.89 3cia s PRO 227 Ca -0.03 1.82 0.34 0.00 0.04 0.00 0.00 61.00 63.17 3cia s PRO 227 Cb -0.08 -2.85 1.41 0.00 0.04 0.00 0.00 34.50 33.02 3cia s PRO 227 CO 0.01 -0.12 1.40 -2.30 0.04 0.00 0.00 177.00 176.03 3cia n PRO 228 N 0.46 -0.02 0.00 0.56 -0.02 -1.26 -0.97 135.00 133.75 3cia n PRO 228 Ca 0.02 1.08 0.07 0.00 -2.02 0.00 0.00 63.50 62.65 3cia n PRO 228 Cb 0.46 -2.23 0.31 0.00 -0.02 0.00 0.00 33.50 32.03 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 -4.26 0.00 1.02 6.00 0.18 -1.26 -1.30 117.16 117.54 3cia n TYR 229 Ca 0.37 0.00 0.11 0.00 1.88 0.00 0.00 57.90 60.26 3cia n TYR 229 Cb 1.54 -0.42 -0.00 0.00 -0.38 0.00 0.00 39.34 40.07 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 -1.42 1.48 -4.66 -3.48 4.77 -0.14 -4.19 117.00 109.36 3cia n LEU 230 Ca 0.05 -0.58 -0.43 0.00 -0.03 0.00 0.00 56.01 55.02 3cia n LEU 230 Cb 0.14 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 3cia n LEU 230 CO 0.12 0.30 1.14 -0.63 -1.33 0.00 0.00 177.39 176.99 3cia s ILE 231 N -2.71 4.11 0.05 -0.08 1.01 -0.42 -4.43 121.20 118.73 3cia s ILE 231 Ca 0.14 1.35 -0.00 0.00 0.00 0.00 0.00 60.65 62.14 3cia s ILE 231 Cb 0.17 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 3cia s ILE 231 CO 0.69 -0.11 -0.04 0.00 0.00 0.00 0.00 174.94 175.48 3cia s ALA 232 N 3.56 0.48 -0.05 9.38 0.00 -1.26 -4.72 121.76 129.15 3cia s ALA 232 Ca 0.59 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.45 3cia s ALA 232 Cb -0.25 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.09 3cia s ALA 232 CO 0.18 -0.26 0.21 -1.50 0.00 0.00 0.00 175.76 174.39 3cia s ILE 233 N -2.98 0.03 -0.02 0.00 2.07 -1.26 -2.28 121.20 116.76 3cia s ILE 233 Ca -0.00 -0.25 -0.01 0.00 -1.41 0.00 0.00 60.65 58.98 3cia s ILE 233 Cb 0.01 -0.38 0.02 0.00 0.13 0.00 0.00 42.46 42.24 3cia s ILE 233 CO -0.06 -0.14 0.05 -0.83 -1.91 0.00 0.00 174.94 172.05 3cia s GLY 234 N -0.48 0.02 -0.04 1.50 0.00 -1.04 -0.43 107.32 106.84 3cia s GLY 234 Ca -0.06 0.24 0.01 0.00 0.00 0.00 0.00 44.72 44.91 3cia s GLY 234 CO 0.01 0.41 -0.02 0.14 0.00 0.00 0.00 173.10 173.63 3cia s VAL 235 N 0.52 0.39 -0.48 1.40 1.01 0.32 -0.27 120.40 123.29 3cia s VAL 235 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.91 3cia s VAL 235 Cb -0.06 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.87 3cia s VAL 235 CO -0.02 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.89 3cia n GLY 236 N 4.16 -1.25 3.35 4.51 0.00 -0.68 0.72 105.19 116.00 3cia n GLY 236 Ca -0.24 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 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 0.29 4.15 -4.90 1.61 4.64 -1.26 -1.15 116.55 119.93 3cia n ASP 237 Ca 0.00 -2.84 -0.34 0.00 -1.38 0.00 0.00 54.79 50.23 3cia n ASP 237 Cb 0.00 -1.67 -0.05 0.00 -1.04 0.00 0.00 41.12 38.36 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 4.79 4.37 0.25 -2.67 1.43 -1.26 -4.45 118.68 121.14 3cia s LEU 238 Ca 0.55 0.44 0.11 0.00 -1.03 0.00 0.00 54.13 54.21 3cia s LEU 238 Cb 0.06 -2.65 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 3cia s LEU 238 CO 0.06 0.26 -0.19 -1.61 0.23 0.00 0.00 176.35 175.10 3cia s GLU 239 N -1.86 1.56 -0.02 1.70 0.41 -0.45 -4.89 118.70 115.14 3cia s GLU 239 Ca 0.27 -1.69 -0.00 0.00 -0.41 0.00 0.00 54.97 53.14 3cia s GLU 239 Cb -0.13 -1.58 0.02 0.00 -1.78 0.00 0.00 34.13 30.67 3cia s GLU 239 CO 0.17 0.29 0.03 0.12 -0.49 0.00 0.00 175.26 175.38 3cia s PHE 240 N -2.56 0.02 0.00 1.61 5.36 -1.26 -1.73 117.98 119.42 3cia s PHE 240 Ca 0.27 0.11 0.03 0.00 -0.96 0.00 0.00 56.93 56.38 3cia s PHE 240 Cb -0.04 -0.18 -0.01 0.00 -0.34 0.00 0.00 43.02 42.45 3cia s PHE 240 CO 0.12 -0.07 -0.11 0.15 -1.46 0.00 0.00 175.22 173.85 3cia s LYS 241 N 0.83 0.83 0.20 10.12 1.02 -1.09 -5.01 119.74 126.64 3cia s LYS 241 Ca -0.07 -0.46 -0.01 0.00 0.02 0.00 0.00 55.97 55.45 3cia s LYS 241 Cb -0.10 -0.80 0.04 0.00 -0.52 0.00 0.00 37.83 36.45 3cia s LYS 241 CO -0.02 0.21 0.28 0.00 -0.92 0.00 0.00 175.35 174.90 3cia n ALA 242 N 2.58 0.01 0.00 5.17 0.00 -1.26 -1.48 120.51 125.52 3cia n ALA 242 Ca -0.15 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.77 3cia n ALA 242 Cb 0.56 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.52 0.00 -1.49 0.00 0.00 -0.01 -4.85 117.12 109.24 3cia n MET 243 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.74 3cia n MET 243 Cb 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 33.22 33.06 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 -2.05 1.52 0.18 7.83 3.41 -1.09 -5.00 113.62 118.43 3cia n SER 244 Ca 0.00 -0.75 0.05 0.00 -0.26 0.00 0.00 58.87 57.92 3cia n SER 244 Cb 0.05 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.29 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 0.75 0.00 0.00 7.33 2.07 -2.02 -3.35 115.15 119.93 3cia h HIS 245 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 3cia h HIS 245 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 3cia h HIS 245 CO 0.00 0.40 -0.25 0.00 -3.07 0.00 0.00 177.93 175.01 3cia n GLN 246 N -3.47 0.75 -3.82 5.12 10.64 -1.26 -5.05 117.38 120.29 3cia n GLN 246 Ca 0.00 -1.97 -0.13 0.00 -1.83 0.00 0.00 57.00 53.06 3cia n GLN 246 Cb 0.55 -1.07 -0.15 0.00 -0.86 0.00 0.00 30.24 28.71 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 -1.68 -0.03 0.27 -0.39 -4.23 -1.26 -0.85 115.64 107.47 3cia s THR 247 Ca 0.20 0.11 -0.05 0.00 -1.18 0.00 0.00 61.69 60.77 3cia s THR 247 Cb 0.18 -0.05 0.02 0.00 1.34 0.00 0.00 72.50 73.99 3cia s THR 247 CO 0.01 0.05 0.44 0.61 -0.54 0.00 0.00 174.62 175.19 3cia n GLY 248 N 3.64 1.93 3.08 3.99 0.00 -1.19 -0.83 105.19 115.81 3cia n GLY 248 Ca -0.20 -1.40 -0.16 0.00 0.00 0.00 0.00 46.02 44.26 3cia n GLY 248 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cia s ILE 249 N -2.57 0.74 -0.05 -0.61 1.01 -0.55 -0.42 121.20 118.75 3cia s ILE 249 Ca 0.17 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.88 3cia s ILE 249 Cb -0.02 -0.74 -0.00 0.00 0.01 0.00 0.00 42.46 41.71 3cia s ILE 249 CO 0.13 -0.20 -0.17 -0.31 0.00 0.00 0.00 174.94 174.38 3cia s TYR 250 N -1.07 1.77 0.09 3.97 1.51 0.02 -2.67 117.35 120.98 3cia s TYR 250 Ca -0.04 -0.56 -0.07 0.00 -1.01 0.00 0.00 57.07 55.39 3cia s TYR 250 Cb -0.08 -1.21 0.03 0.00 -0.11 0.00 0.00 41.96 40.59 3cia s TYR 250 CO 0.01 -0.21 0.35 0.00 -1.11 0.00 0.00 175.55 174.59 3cia n ALA 251 N 3.28 -0.88 -0.81 3.71 0.00 -0.71 -1.91 120.51 123.19 3cia n ALA 251 Ca -0.19 -0.39 -0.20 0.00 0.00 0.00 0.00 53.44 52.65 3cia n ALA 251 Cb 0.53 0.25 0.12 0.00 0.00 0.00 0.00 19.45 20.35 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 -0.24 2.04 0.00 0.00 1.02 -1.26 -1.35 120.64 120.85 3cia n GLU 252 Ca -0.01 -2.35 0.00 0.00 -0.02 0.00 0.00 57.16 54.77 3cia n GLU 252 Cb 0.21 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 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 -0.67 0.00 -0.18 1.62 7.64 -1.26 -4.53 113.62 116.23 3cia n SER 253 Ca 0.46 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 60.28 3cia n SER 253 Cb 1.22 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 64.44 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 0.70 -0.02 1.43 -0.00 -1.97 -2.68 116.97 114.43 3cia h TYR 254 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3cia h TYR 254 Cb 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 36.73 36.50 3cia h TYR 254 CO 0.00 0.48 -0.35 1.51 -0.00 0.00 0.00 178.16 179.79 3cia n ILE 255 N -4.67 0.00 0.07 -0.90 3.06 -1.26 -4.65 119.36 111.00 3cia n ILE 255 Ca 0.03 -0.27 -0.04 0.00 -2.50 0.00 0.00 62.75 59.98 3cia n ILE 255 Cb 0.05 1.09 -0.02 0.00 0.54 0.00 0.00 39.64 41.30 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 2.50 -0.25 -1.92 9.51 5.85 -1.80 0.66 115.31 129.86 3cia h LEU 256 Ca 0.00 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3cia h LEU 256 Cb 0.73 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 3cia h LEU 256 CO 0.00 -0.13 -0.10 0.44 -0.34 0.00 0.00 178.44 178.31 3cia h ASP 257 N -0.20 0.00 0.11 1.25 3.32 -1.84 -1.16 116.42 117.91 3cia h ASP 257 Ca -0.02 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.84 3cia h ASP 257 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3cia h ASP 257 CO 0.00 0.10 -0.75 0.00 -1.72 0.00 0.00 179.24 176.87 3cia h ALA 258 N 1.90 0.49 -0.18 3.45 0.00 -1.80 -2.72 119.26 120.40 3cia h ALA 258 Ca -0.00 -0.61 -0.18 0.00 0.00 0.00 0.00 54.91 54.12 3cia h ALA 258 Cb 0.35 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3cia h ALA 258 CO 0.01 0.74 -0.62 0.00 0.00 0.00 0.00 179.25 179.38 3cia h ALA 259 N 0.80 0.57 0.00 0.00 0.00 -0.13 -2.64 119.26 117.86 3cia h ALA 259 Ca -0.04 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.23 3cia h ALA 259 Cb 1.35 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3cia h ALA 259 CO 0.14 0.70 -0.44 0.28 0.00 0.00 0.00 179.25 179.93 3cia h VAL 260 N 0.47 1.02 0.00 0.00 2.07 -1.22 -2.18 116.25 116.42 3cia h VAL 260 Ca -0.01 -1.69 -0.09 0.00 0.82 0.00 0.00 66.70 65.73 3cia h VAL 260 Cb 1.19 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 3cia h VAL 260 CO 0.12 0.43 -0.41 0.00 0.02 0.00 0.00 177.57 177.74 3cia h ALA 261 N 1.56 0.84 0.00 1.67 0.00 -1.46 -3.20 119.26 118.68 3cia h ALA 261 Ca -0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 54.91 54.29 3cia h ALA 261 Cb 0.96 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 3cia h ALA 261 CO 0.06 0.51 -1.53 1.49 0.00 0.00 0.00 179.25 179.77 3cia h GLU 262 N 0.00 0.00 0.00 0.00 4.57 -1.02 -3.39 114.58 114.74 3cia h GLU 262 Ca -0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3cia h GLU 262 Cb 1.10 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.69 3cia h GLU 262 CO 0.05 0.50 -0.03 1.19 -1.18 0.00 0.00 179.01 179.54 3cia n PHE 263 N -3.05 0.00 0.68 0.92 3.72 -1.03 -4.70 117.46 114.00 3cia n PHE 263 Ca -0.13 -0.97 0.00 0.00 -0.05 0.00 0.00 57.45 56.30 3cia n PHE 263 Cb 0.98 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 39.37 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 -1.37 0.70 -0.00 4.37 3.85 -1.21 -1.20 116.55 121.69 3cia n ASP 264 Ca 0.15 -1.35 0.05 0.00 -0.71 0.00 0.00 54.79 52.93 3cia n ASP 264 Cb 0.64 -0.34 -0.06 0.00 -1.35 0.00 0.00 41.12 40.01 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 0.17 1.27 -0.01 -1.12 8.00 -1.26 -4.65 116.55 118.95 3cia n ASP 265 Ca 0.00 -0.47 0.10 0.00 0.71 0.00 0.00 54.79 55.13 3cia n ASP 265 Cb 0.17 1.17 0.52 0.00 -0.02 0.00 0.00 41.12 42.96 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 0.95 -0.83 -3.53 1.35 -1.54 0.49 112.91 109.80 3cia h THR 266 Ca 0.00 -0.12 0.10 0.00 -0.55 0.00 0.00 66.41 65.84 3cia h THR 266 Cb 0.32 0.56 -0.07 0.00 -1.73 0.00 0.00 68.15 67.23 3cia h THR 266 CO 0.00 0.06 0.47 -0.61 -0.25 0.00 0.00 175.52 175.19 3cia h GLN 267 N 0.35 0.75 -0.57 4.72 5.75 -1.82 -0.02 115.11 124.27 3cia h GLN 267 Ca 0.21 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.58 3cia h GLN 267 Cb 0.36 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 3cia h GLN 267 CO -0.05 0.50 0.05 0.00 -2.65 0.00 0.00 178.83 176.68 3cia h ALA 268 N 1.46 1.00 -0.83 3.38 0.00 -0.38 -2.32 119.26 121.58 3cia h ALA 268 Ca 0.40 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 55.14 3cia h ALA 268 Cb 0.39 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 3cia h ALA 268 CO -0.26 0.62 0.54 0.52 0.00 0.00 0.00 179.25 180.68 3cia h MET 269 N 0.89 0.78 0.00 0.00 2.86 -0.01 -0.91 114.93 118.54 3cia h MET 269 Ca 0.17 -0.05 -0.17 0.00 -2.06 0.00 0.00 59.70 57.60 3cia h MET 269 Cb 0.45 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 3cia h MET 269 CO 0.02 0.51 -0.80 0.82 1.06 0.00 0.00 176.91 178.52 3cia h ILE 270 N 0.80 1.35 0.23 -1.22 2.04 -0.83 0.15 117.51 120.02 3cia h ILE 270 Ca 0.38 -2.91 -0.34 0.00 1.00 0.00 0.00 64.86 63.00 3cia h ILE 270 Cb 0.41 2.66 0.03 0.00 -0.74 0.00 0.00 36.82 39.19 3cia h ILE 270 CO -0.15 0.77 -1.56 0.44 0.00 0.00 0.00 178.15 177.65 3cia h ASP 271 N 0.00 0.75 0.05 1.72 3.45 -1.12 -1.44 116.42 119.84 3cia h ASP 271 Ca -0.01 -0.89 -0.14 0.00 0.43 0.00 0.00 57.03 56.42 3cia h ASP 271 Cb 1.61 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 40.13 3cia h ASP 271 CO 0.10 1.71 -0.47 0.11 -1.57 0.00 0.00 179.24 179.12 3cia h LYS 272 N 0.13 0.49 -0.35 3.56 1.79 -1.21 -2.78 116.57 118.21 3cia h LYS 272 Ca -0.28 -0.27 -0.12 0.00 -2.18 0.00 0.00 60.65 57.80 3cia h LYS 272 Cb 2.14 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.79 3cia h LYS 272 CO 0.24 0.86 -0.26 0.00 -1.08 0.00 0.00 179.45 179.20 3cia h ALA 273 N 1.10 0.89 -0.05 3.86 0.00 -0.74 -2.95 119.26 121.38 3cia h ALA 273 Ca 0.02 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 3cia h ALA 273 Cb 0.97 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3cia h ALA 273 CO 0.09 0.63 -0.41 0.93 0.00 0.00 0.00 179.25 180.48 3cia h GLU 274 N 0.61 0.11 -0.65 0.00 5.08 -1.24 -0.47 114.58 118.02 3cia h GLU 274 Ca 0.08 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3cia h GLU 274 Cb 0.76 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 3cia h GLU 274 CO 0.06 0.51 0.22 1.96 -1.00 0.00 0.00 179.01 180.76 3cia h GLN 275 N 0.09 0.97 0.00 2.33 4.20 -1.30 -2.61 115.11 118.79 3cia h GLN 275 Ca 0.01 -0.18 -0.37 0.00 0.06 0.00 0.00 58.65 58.16 3cia h GLN 275 Cb 0.78 -0.16 -0.07 0.00 0.30 0.00 0.00 27.48 28.33 3cia h GLN 275 CO 0.06 0.82 -2.41 0.00 -0.67 0.00 0.00 178.83 176.63 3cia n MET 276 N -4.28 0.65 0.00 1.46 0.00 -1.22 -4.75 117.12 108.98 3cia n MET 276 Ca 0.05 0.12 0.12 0.00 0.00 0.00 0.00 57.70 57.99 3cia n MET 276 Cb 0.20 -1.50 0.09 0.00 0.00 0.00 0.00 33.22 32.01 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 -3.16 0.00 0.00 3.17 0.53 -0.19 -4.57 117.16 112.94 3cia n TYR 277 Ca -0.42 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.46 3cia n TYR 277 Cb 1.00 -0.03 0.00 0.00 -1.03 0.00 0.00 39.34 39.28 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 1.39 0.58 3.77 2.72 0.00 -0.98 -4.79 105.19 107.88 3cia n GLY 278 Ca 0.10 -2.18 -0.36 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.01 3.38 -1.06 1.61 2.20 -1.26 -4.19 119.74 119.40 3cia s LYS 279 Ca 0.00 1.68 -0.22 0.00 -0.36 0.00 0.00 55.97 57.07 3cia s LYS 279 Cb 0.00 -2.07 0.06 0.00 -1.51 0.00 0.00 37.83 34.31 3cia s LYS 279 CO 0.00 -0.84 1.47 -0.47 -0.36 0.00 0.00 175.35 175.15 3cia s TYR 280 N -1.70 2.64 -1.97 4.03 5.04 -1.26 -4.88 117.35 119.25 3cia s TYR 280 Ca 0.72 -1.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.30 3cia s TYR 280 Cb -0.26 -4.66 0.00 0.00 0.35 0.00 0.00 41.96 37.39 3cia s TYR 280 CO 0.29 -1.87 0.25 0.54 -1.34 0.00 0.00 175.55 173.42 3cia n ARG 281 N 8.53 0.25 -0.03 4.97 1.74 -1.26 -3.50 116.66 127.36 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 0.50 -1.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.01 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 -0.47 0.09 0.00 -1.55 7.02 -1.26 -5.03 117.44 116.24 3cia n TRP 282 Ca 0.00 -0.08 0.00 0.00 -1.02 0.00 0.00 57.50 56.40 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 0.80 1.98 3.48 6.99 0.00 -1.23 -4.86 105.19 112.36 3cia n GLY 283 Ca 0.09 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 1.70 -0.20 1.61 3.52 -1.26 -4.86 118.95 119.45 3cia s ARG 284 Ca 0.00 -1.72 -0.04 0.00 -0.13 0.00 0.00 55.73 53.84 3cia s ARG 284 Cb 0.00 -1.80 0.08 0.00 -1.56 0.00 0.00 34.95 31.67 3cia s ARG 284 CO 0.00 0.34 0.17 -0.47 -0.81 0.00 0.00 175.30 174.53 3cia s TYR 285 N -2.39 -0.06 0.44 5.12 5.04 -0.03 -4.36 117.35 121.11 3cia s TYR 285 Ca 0.29 -0.10 0.06 0.00 -2.44 0.00 0.00 57.07 54.88 3cia s TYR 285 Cb -0.05 -0.54 -0.04 0.00 0.35 0.00 0.00 41.96 41.68 3cia s TYR 285 CO 0.15 -0.61 0.15 -0.51 -1.34 0.00 0.00 175.55 173.39 3cia s ASP 286 N 2.24 4.30 -0.04 4.32 1.01 -0.52 -3.17 116.67 124.80 3cia s ASP 286 Ca 0.05 -1.24 0.04 0.00 0.71 0.00 0.00 52.55 52.11 3cia s ASP 286 Cb -0.16 -0.20 -0.00 0.00 1.01 0.00 0.00 42.92 43.57 3cia s ASP 286 CO -0.14 -0.64 -0.16 -0.76 0.21 0.00 0.00 175.17 173.67 3cia s LEU 287 N -3.91 1.88 -0.23 1.23 1.02 0.44 -1.74 118.68 117.36 3cia s LEU 287 Ca 0.34 -0.33 0.02 0.00 0.02 0.00 0.00 54.13 54.17 3cia s LEU 287 Cb 0.04 -0.92 0.05 0.00 0.02 0.00 0.00 46.19 45.38 3cia s LEU 287 CO 0.18 0.13 -0.12 -0.22 0.02 0.00 0.00 176.35 176.35 3cia s LEU 288 N 0.13 2.92 -0.13 1.79 2.96 0.18 -0.80 118.68 125.73 3cia s LEU 288 Ca -0.05 -1.16 -0.25 0.00 -0.22 0.00 0.00 54.13 52.45 3cia s LEU 288 Cb -0.12 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 3cia s LEU 288 CO 0.02 -0.15 0.82 -0.04 -1.32 0.00 0.00 176.35 175.68 3cia s MET 289 N 1.22 4.35 0.46 1.98 -1.94 -0.80 0.33 119.30 124.89 3cia s MET 289 Ca -0.05 1.02 0.02 0.00 -1.71 0.00 0.00 55.69 54.97 3cia s MET 289 Cb -0.18 -3.54 0.00 0.00 2.01 0.00 0.00 34.83 33.13 3cia s MET 289 CO -0.07 -0.23 0.66 -0.51 -0.01 0.00 0.00 175.02 174.87 3cia s LEU 290 N 1.78 3.61 0.81 -0.03 1.02 -0.31 -4.72 118.68 120.84 3cia s LEU 290 Ca 0.39 0.14 -0.11 0.00 0.02 0.00 0.00 54.13 54.57 3cia s LEU 290 Cb -0.17 -3.03 0.08 0.00 0.02 0.00 0.00 46.19 43.09 3cia s LEU 290 CO 0.15 -0.76 1.09 -2.16 0.02 0.00 0.00 176.35 174.69 3cia s PRO 291 N -4.54 1.96 0.15 1.29 0.04 -1.26 -4.18 135.00 128.46 3cia s PRO 291 Ca 0.50 0.92 0.01 0.00 0.04 0.00 0.00 61.00 62.47 3cia s PRO 291 Cb -0.10 -1.88 0.08 0.00 0.04 0.00 0.00 34.50 32.64 3cia s PRO 291 CO 0.37 -1.78 0.71 -2.30 0.04 0.00 0.00 177.00 174.04 3cia n PRO 292 N -3.58 0.02 0.18 0.56 -0.02 -1.26 -0.90 135.00 129.99 3cia n PRO 292 Ca 0.08 0.26 0.12 0.00 -2.02 0.00 0.00 63.50 61.94 3cia n PRO 292 Cb 0.54 -2.07 0.14 0.00 -0.02 0.00 0.00 33.50 32.10 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 -1.65 2.55 0.87 -1.87 -2.94 113.55 110.51 3cia h SER 293 Ca 0.00 -0.01 -0.71 0.00 -1.23 0.00 0.00 61.79 59.84 3cia h SER 293 Cb 1.04 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.02 3cia h SER 293 CO 0.00 0.00 0.97 0.33 -0.53 0.00 0.00 176.83 177.60 3cia n PHE 294 N -2.89 2.12 0.12 2.24 7.35 -0.07 -3.93 117.46 122.39 3cia n PHE 294 Ca 0.03 0.39 0.03 0.00 -0.76 0.00 0.00 57.45 57.14 3cia n PHE 294 Cb 0.53 -2.51 0.41 0.00 0.35 0.00 0.00 39.48 38.25 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 7.83 0.25 0.00 -7.13 0.13 -1.89 -3.23 132.00 127.96 3cia h PRO 295 Ca -0.47 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3cia h PRO 295 Cb 1.31 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3cia h PRO 295 CO 0.96 0.35 0.00 1.19 -0.23 0.00 0.00 178.00 180.27 3cia n PHE 296 N -4.31 -1.36 -0.04 1.56 3.01 -1.26 0.12 117.46 115.18 3cia n PHE 296 Ca -0.01 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.49 3cia n PHE 296 Cb 0.24 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.56 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 -0.87 0.00 1.37 0.00 -1.26 -4.69 105.19 104.74 3cia n GLY 297 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 1.60 2.62 3.48 -0.02 0.00 -1.25 -2.50 105.19 109.11 3cia n GLY 298 Ca -0.12 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.00 2.77 -1.29 1.61 1.75 -0.55 -4.93 119.30 116.67 3cia s MET 299 Ca 0.00 -0.66 -0.08 0.00 -1.25 0.00 0.00 55.69 53.70 3cia s MET 299 Cb 0.00 -2.49 -0.06 0.00 2.84 0.00 0.00 34.83 35.12 3cia s MET 299 CO 0.00 0.53 2.92 -0.85 -0.65 0.00 0.00 175.02 176.98 3cia n GLU 300 N 2.58 3.61 -2.64 4.11 0.00 -1.26 -1.41 120.64 125.64 3cia n GLU 300 Ca -0.18 -2.32 -0.43 0.00 0.00 0.00 0.00 57.16 54.24 3cia n GLU 300 Cb 0.52 -2.62 -0.02 0.00 0.00 0.00 0.00 31.44 29.32 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 1.68 7.09 -0.11 -1.84 0.02 -1.24 -4.90 114.94 115.64 3cia s ASN 301 Ca 0.66 1.42 -0.41 0.00 -1.02 0.00 0.00 52.86 53.51 3cia s ASN 301 Cb 0.21 -2.54 -0.19 0.00 0.02 0.00 0.00 41.25 38.74 3cia s ASN 301 CO -0.07 -0.66 1.24 -0.81 0.02 0.00 0.00 177.10 176.82 3cia n PRO 302 N 6.26 0.17 0.00 -0.60 -0.04 -1.26 0.19 135.00 139.71 3cia n PRO 302 Ca 0.12 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 3cia n PRO 302 Cb 0.46 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 2.32 0.00 -3.33 0.54 1.74 -1.26 -4.20 116.66 112.47 3cia n ARG 303 Ca 0.23 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.18 3cia n ARG 303 Cb 0.06 -2.40 -0.06 0.00 -1.02 0.00 0.00 32.46 29.04 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 -0.48 -0.00 0.55 1.98 0.13 -1.45 118.68 119.42 3cia s LEU 304 Ca 0.00 -1.10 -0.27 0.00 -2.89 0.00 0.00 54.13 49.87 3cia s LEU 304 Cb 0.00 0.90 -0.04 0.00 0.66 0.00 0.00 46.19 47.71 3cia s LEU 304 CO 0.00 -0.28 0.84 -0.44 -1.89 0.00 0.00 176.35 174.58 3cia s SER 305 N 1.84 7.22 -0.42 3.68 0.01 -0.71 -3.59 113.70 121.72 3cia s SER 305 Ca 0.14 1.46 -0.25 0.00 1.31 0.00 0.00 55.95 58.62 3cia s SER 305 Cb -0.13 -2.50 0.02 0.00 0.21 0.00 0.00 66.02 63.63 3cia s SER 305 CO -0.13 -0.13 0.88 -0.36 0.41 0.00 0.00 173.24 173.91 3cia s PHE 306 N 0.61 3.01 -0.00 2.43 0.40 -0.50 -0.65 117.98 123.28 3cia s PHE 306 Ca 0.44 0.50 0.03 0.00 -0.60 0.00 0.00 56.93 57.30 3cia s PHE 306 Cb -0.20 -3.75 -0.03 0.00 0.51 0.00 0.00 43.02 39.55 3cia s PHE 306 CO 0.24 -0.95 -0.08 0.42 0.70 0.00 0.00 175.22 175.55 3cia s ILE 307 N 3.51 3.53 0.36 0.64 -1.09 0.15 -1.48 121.20 126.82 3cia s ILE 307 Ca 0.35 -0.79 -0.25 0.00 -2.23 0.00 0.00 60.65 57.73 3cia s ILE 307 Cb -0.11 -2.52 -0.10 0.00 -1.58 0.00 0.00 42.46 38.15 3cia s ILE 307 CO 0.22 0.41 0.97 0.28 -1.23 0.00 0.00 174.94 175.60 3cia s THR 308 N -0.96 4.11 -0.34 2.92 -1.32 -1.04 -1.16 115.64 117.85 3cia s THR 308 Ca 0.16 1.64 0.26 0.00 -1.21 0.00 0.00 61.69 62.55 3cia s THR 308 Cb -0.11 -3.86 0.28 0.00 -1.51 0.00 0.00 72.50 67.30 3cia s THR 308 CO 0.06 0.03 1.78 1.55 -2.21 0.00 0.00 174.62 175.84 3cia h PRO 309 N 2.81 0.00 0.00 7.08 0.13 -1.86 -3.15 132.00 137.00 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 -2.45 1.34 0.98 1.56 -2.24 -1.26 -2.03 114.28 110.18 3cia n THR 310 Ca 0.02 0.41 0.10 0.00 -2.27 0.00 0.00 64.05 62.31 3cia n THR 310 Cb 0.25 -1.31 -0.05 0.00 -2.10 0.00 0.00 70.33 67.12 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 -1.73 0.00 -2.75 2.28 0.24 -1.19 -4.61 118.33 110.58 3cia n VAL 311 Ca 0.01 -0.17 -0.43 0.00 -2.04 0.00 0.00 64.34 61.72 3cia n VAL 311 Cb 0.10 1.16 -0.02 0.00 -1.47 0.00 0.00 33.84 33.60 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 -2.63 4.38 -0.10 3.34 1.01 -0.86 -4.68 120.40 120.86 3cia s VAL 312 Ca 0.14 -1.39 0.05 0.00 0.00 0.00 0.00 61.98 60.79 3cia s VAL 312 Cb 0.17 -4.94 -0.24 0.00 0.00 0.00 0.00 36.38 31.37 3cia s VAL 312 CO 0.67 -1.74 0.43 0.00 0.00 0.00 0.00 175.10 174.45 3cia n ALA 313 N 7.57 1.27 0.00 5.51 0.00 -1.26 -5.02 120.51 128.58 3cia n ALA 313 Ca 0.31 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3cia n ALA 313 Cb 0.49 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 1.79 1.08 0.00 0.00 0.00 -1.26 -4.86 105.19 101.93 3cia n GLY 314 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.60 -0.63 1.61 5.68 -1.26 -5.02 116.55 117.53 3cia n ASP 315 Ca 0.00 -1.18 -0.08 0.00 -0.50 0.00 0.00 54.79 53.03 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 -0.09 -0.85 -0.03 0.11 5.02 -1.26 -4.94 118.16 116.13 3cia n LYS 316 Ca 0.00 0.73 -0.17 0.00 -2.02 0.00 0.00 58.31 56.85 3cia n LYS 316 Cb 0.25 -4.66 -0.08 0.00 -0.02 0.00 0.00 35.03 30.53 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 0.76 -0.34 4.39 4.64 -1.95 -3.28 113.55 117.77 3cia h SER 317 Ca -0.17 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.52 3cia h SER 317 Cb 0.68 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3cia h SER 317 CO 0.25 1.27 0.00 0.18 -0.87 0.00 0.00 176.83 177.66 3cia n LEU 318 N -4.11 2.01 0.30 5.97 7.99 -1.26 -4.37 117.00 123.52 3cia n LEU 318 Ca -0.08 -1.01 0.20 0.00 -0.01 0.00 0.00 56.01 55.11 3cia n LEU 318 Cb 0.66 -0.27 0.96 0.00 -0.11 0.00 0.00 43.42 44.65 3cia n LEU 318 CO 0.49 0.46 1.08 0.58 -1.51 0.00 0.00 177.39 178.49 3cia h VAL 319 N 2.01 0.00 0.00 4.08 2.07 -1.85 -2.75 116.25 119.81 3cia h VAL 319 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3cia h VAL 319 Cb 0.55 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3cia h VAL 319 CO 0.03 0.00 0.04 -0.55 0.02 0.00 0.00 177.57 177.10 3cia h ASN 320 N 0.00 0.00 -0.02 0.57 -1.07 -1.86 -0.26 115.58 112.94 3cia h ASN 320 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3cia h ASN 320 Cb 0.20 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.45 3cia h ASN 320 CO 0.00 0.00 0.01 0.25 0.07 0.00 0.00 177.43 177.76 3cia h LEU 321 N 0.00 0.02 -1.59 6.14 5.85 -1.86 0.23 115.31 124.09 3cia h LEU 321 Ca 0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 3cia h LEU 321 Cb 0.07 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3cia h LEU 321 CO 0.00 0.01 -0.21 0.40 -0.34 0.00 0.00 178.44 178.30 3cia h ILE 322 N 0.02 0.84 -0.03 4.05 1.08 -1.28 -1.26 117.51 120.93 3cia h ILE 322 Ca 0.01 -0.84 -0.18 0.00 -0.39 0.00 0.00 64.86 63.46 3cia h ILE 322 Cb 0.00 1.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 3cia h ILE 322 CO -0.01 0.21 -0.78 0.00 -0.69 0.00 0.00 178.15 176.88 3cia h ALA 323 N 1.79 0.61 -0.10 1.87 0.00 -1.36 -1.65 119.26 120.41 3cia h ALA 323 Ca -0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 54.91 54.16 3cia h ALA 323 Cb 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3cia h ALA 323 CO 0.03 0.83 -0.36 1.25 0.00 0.00 0.00 179.25 180.99 3cia h HIS 324 N 0.17 0.24 0.00 0.00 -0.00 0.53 -2.24 115.15 113.85 3cia h HIS 324 Ca -0.03 -0.06 -0.15 0.00 -0.00 0.00 0.00 60.37 60.13 3cia h HIS 324 Cb 1.37 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 28.70 3cia h HIS 324 CO 0.03 0.55 -0.96 0.93 -0.00 0.00 0.00 177.93 178.48 3cia h GLU 325 N 0.18 0.00 0.00 5.26 4.39 -1.01 -3.02 114.58 120.39 3cia h GLU 325 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3cia h GLU 325 Cb 0.73 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 3cia h GLU 325 CO 0.06 0.49 0.00 1.25 -1.16 0.00 0.00 179.01 179.65 3cia h LEU 326 N 0.00 0.00 -0.27 1.33 6.46 -1.17 -2.93 115.31 118.74 3cia h LEU 326 Ca -0.08 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.48 3cia h LEU 326 Cb 1.54 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.47 3cia h LEU 326 CO 0.07 0.00 -0.87 0.00 -0.62 0.00 0.00 178.44 177.01 3cia h ALA 327 N 2.09 0.49 -0.71 1.25 0.00 -1.27 -3.04 119.26 118.06 3cia h ALA 327 Ca 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 54.91 54.25 3cia h ALA 327 Cb 0.65 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3cia h ALA 327 CO 0.00 0.86 0.47 0.45 0.00 0.00 0.00 179.25 181.03 3cia h HIS 328 N 0.17 0.82 -0.14 0.00 3.86 -1.52 -0.66 115.15 117.68 3cia h HIS 328 Ca -0.05 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.22 3cia h HIS 328 Cb 1.49 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.68 3cia h HIS 328 CO 0.04 0.47 0.97 0.77 0.86 0.00 0.00 177.93 181.04 3cia h SER 329 N 0.85 0.00 0.00 2.45 0.02 -1.64 -0.76 113.55 114.47 3cia h SER 329 Ca 0.28 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.07 3cia h SER 329 Cb 0.08 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 3cia h SER 329 CO -0.08 0.00 -1.59 0.79 -1.14 0.00 0.00 176.83 174.81 3cia n TRP 330 N -2.64 0.00 -3.72 3.45 8.01 -0.29 -3.32 117.44 118.93 3cia n TRP 330 Ca 0.03 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.84 3cia n TRP 330 Cb 1.01 -0.38 -0.12 0.00 -2.01 0.00 0.00 31.31 29.81 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 -5.52 5.39 0.00 -0.99 1.04 -0.31 -2.56 113.70 110.75 3cia s SER 331 Ca -0.14 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.09 3cia s SER 331 Cb 0.05 -1.89 0.00 0.00 0.10 0.00 0.00 66.02 64.27 3cia s SER 331 CO 0.21 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.67 3cia n GLY 332 N 4.83 0.69 1.32 7.32 0.00 -0.13 -4.11 105.19 115.11 3cia n GLY 332 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.09 -0.05 1.61 4.13 -1.12 -4.80 115.26 115.12 3cia n ASN 333 Ca 0.00 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 56.04 3cia n ASN 333 Cb 0.00 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.11 3cia n ASN 333 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3cia n LEU 334 N -2.23 2.27 -4.16 3.41 0.00 -1.21 -4.70 117.00 110.38 3cia n LEU 334 Ca 0.00 0.30 -0.33 0.00 0.00 0.00 0.00 56.01 55.98 3cia n LEU 334 Cb 0.03 -1.04 -0.16 0.00 0.00 0.00 0.00 43.42 42.26 3cia n LEU 334 CO 0.00 0.59 -0.51 -0.69 0.00 0.00 0.00 177.39 176.78 3cia s VAL 335 N -2.47 2.27 0.06 1.96 1.01 -1.06 0.77 120.40 122.95 3cia s VAL 335 Ca -0.26 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 60.93 3cia s VAL 335 Cb 0.07 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 3cia s VAL 335 CO 0.68 0.52 -0.24 0.42 0.00 0.00 0.00 175.10 176.49 3cia s THR 336 N 1.20 1.92 0.30 3.92 -4.23 -0.39 -0.95 115.64 117.41 3cia s THR 336 Ca 0.02 -1.38 -0.30 0.00 -1.18 0.00 0.00 61.69 58.86 3cia s THR 336 Cb -0.14 -1.67 -0.11 0.00 1.34 0.00 0.00 72.50 71.92 3cia s THR 336 CO -0.09 0.22 1.54 0.54 -0.54 0.00 0.00 174.62 176.29 3cia s ASN 337 N -1.39 6.44 0.24 3.99 2.20 -1.26 -0.38 114.94 124.78 3cia s ASN 337 Ca 0.10 2.90 0.08 0.00 -0.94 0.00 0.00 52.86 55.00 3cia s ASN 337 Cb -0.10 -2.64 0.25 0.00 -2.00 0.00 0.00 41.25 36.77 3cia s ASN 337 CO 0.03 -0.85 1.55 1.05 -2.94 0.00 0.00 177.10 175.93 3cia h GLU 338 N 4.60 0.07 -5.06 3.55 4.11 -1.25 -3.41 114.58 117.18 3cia h GLU 338 Ca -0.47 -0.05 -0.61 0.00 0.07 0.00 0.00 59.36 58.29 3cia h GLU 338 Cb 1.22 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.35 3cia h GLU 338 CO 0.77 0.71 -0.50 -1.54 0.07 0.00 0.00 179.01 178.52 3cia s SER 339 N -6.85 3.25 0.00 3.06 1.04 -1.26 -3.52 113.70 109.41 3cia s SER 339 Ca -0.02 -1.71 0.14 0.00 0.48 0.00 0.00 55.95 54.84 3cia s SER 339 Cb 0.12 0.60 0.54 0.00 0.10 0.00 0.00 66.02 67.38 3cia s SER 339 CO 0.78 -0.96 1.39 0.79 0.98 0.00 0.00 173.24 176.23 3cia n TRP 340 N -1.05 0.25 1.02 5.02 5.03 -1.26 -3.03 117.44 123.43 3cia n TRP 340 Ca -0.10 -0.13 0.11 0.00 3.03 0.00 0.00 57.50 60.41 3cia n TRP 340 Cb 0.65 0.00 0.02 0.00 -1.03 0.00 0.00 31.31 30.96 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 0.16 0.37 -0.40 -0.99 1.74 -1.26 -3.94 116.66 112.33 3cia n ARG 341 Ca 0.12 -0.29 0.08 0.00 -0.77 0.00 0.00 57.85 56.99 3cia n ARG 341 Cb 0.24 -1.49 0.25 0.00 -1.02 0.00 0.00 32.46 30.44 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 -1.06 3.83 0.26 0.55 8.00 -1.17 -3.95 116.55 123.01 3cia n ASP 342 Ca 0.06 -2.48 0.18 0.00 0.71 0.00 0.00 54.79 53.26 3cia n ASP 342 Cb 0.37 -0.44 0.91 0.00 -0.02 0.00 0.00 41.12 41.94 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 2.58 0.00 -1.06 0.64 7.12 -1.69 0.94 115.31 123.85 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 1.20 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 3cia h LEU 343 CO 0.15 0.00 0.00 4.11 -0.13 0.00 0.00 178.44 182.57 3cia h TRP 344 N 0.00 0.00 0.00 1.25 5.08 -1.80 -2.45 115.95 118.02 3cia h TRP 344 Ca 0.05 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.02 3cia h TRP 344 Cb 0.42 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.58 3cia h TRP 344 CO 0.00 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 178.44 3cia n LEU 345 N -3.01 0.21 -0.02 0.11 4.77 0.32 -0.44 117.00 118.94 3cia n LEU 345 Ca 0.02 0.53 -0.01 0.00 -0.03 0.00 0.00 56.01 56.51 3cia n LEU 345 Cb 0.35 -0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3cia n LEU 345 CO 0.28 -0.15 -0.10 -3.20 -1.33 0.00 0.00 177.39 172.90 3cia n ASN 346 N -1.71 0.38 -0.16 -1.43 5.15 -1.07 -4.11 115.26 112.31 3cia n ASN 346 Ca 0.05 0.23 -0.11 0.00 -0.60 0.00 0.00 54.58 54.15 3cia n ASN 346 Cb 0.30 -0.57 0.00 0.00 -0.53 0.00 0.00 39.78 38.99 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 -0.21 0.99 0.00 1.20 4.39 -1.47 -1.71 114.58 117.78 3cia h GLU 347 Ca 0.00 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.27 3cia h GLU 347 Cb 0.14 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3cia h GLU 347 CO 0.00 1.11 0.00 0.41 -1.16 0.00 0.00 179.01 179.37 3cia n GLY 348 N -0.10 -2.81 0.35 -3.84 0.00 0.41 -0.06 105.19 99.15 3cia n GLY 348 Ca -0.00 0.29 0.07 0.00 0.00 0.00 0.00 46.02 46.38 3cia n GLY 348 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3cia h PHE 349 N 0.00 0.78 -0.14 1.61 -1.00 -1.67 -0.97 116.94 115.55 3cia h PHE 349 Ca 0.00 0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.73 3cia h PHE 349 Cb 0.00 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.29 3cia h PHE 349 CO -0.32 0.40 -0.24 1.15 -1.61 0.00 0.00 178.31 177.70 3cia h THR 350 N 0.76 1.23 -0.15 -1.55 2.02 -1.14 -0.37 112.91 113.72 3cia h THR 350 Ca 0.33 -1.08 -0.17 0.00 0.77 0.00 0.00 66.41 66.26 3cia h THR 350 Cb 0.29 1.39 0.01 0.00 -1.74 0.00 0.00 68.15 68.10 3cia h THR 350 CO -0.11 0.33 -0.56 0.28 0.37 0.00 0.00 175.52 175.82 3cia h SER 351 N 0.23 0.75 0.40 4.18 0.02 0.59 -0.07 113.55 119.65 3cia h SER 351 Ca 0.04 -0.61 -0.02 0.00 -0.84 0.00 0.00 61.79 60.35 3cia h SER 351 Cb 0.55 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3cia h SER 351 CO 0.04 1.24 -0.19 0.22 -1.14 0.00 0.00 176.83 176.99 3cia h TYR 352 N 0.31 -0.50 -0.13 3.45 5.03 -1.08 -2.51 116.97 121.54 3cia h TYR 352 Ca -0.03 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.23 3cia h TYR 352 Cb 1.19 0.17 -0.01 0.00 1.55 0.00 0.00 36.73 39.63 3cia h TYR 352 CO 0.10 -0.28 -0.09 0.28 -1.32 0.00 0.00 178.16 176.86 3cia h VAL 353 N -0.60 1.14 -0.12 1.81 2.07 -1.14 -2.52 116.25 116.89 3cia h VAL 353 Ca -0.06 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 66.89 3cia h VAL 353 Cb 0.45 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 3cia h VAL 353 CO 0.09 0.19 -0.12 -0.08 0.02 0.00 0.00 177.57 177.67 3cia h GLU 354 N 0.19 -0.14 -0.29 1.57 4.81 -0.67 -2.39 114.58 117.66 3cia h GLU 354 Ca 0.04 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3cia h GLU 354 Cb 0.28 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3cia h GLU 354 CO 0.01 -0.09 0.13 -0.97 -0.73 0.00 0.00 179.01 177.36 3cia h ASN 355 N -0.14 0.39 -0.42 1.04 -0.73 -1.13 -2.59 115.58 112.00 3cia h ASN 355 Ca 0.08 -0.15 0.07 0.00 1.87 0.00 0.00 56.30 58.17 3cia h ASN 355 Cb 0.26 -0.10 -0.06 0.00 0.27 0.00 0.00 38.32 38.69 3cia h ASN 355 CO -0.20 0.43 0.07 0.03 -0.37 0.00 0.00 177.43 177.40 3cia h ARG 356 N 0.33 0.20 -0.07 6.67 2.47 -1.30 0.32 114.38 122.99 3cia h ARG 356 Ca 0.10 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.83 3cia h ARG 356 Cb 0.15 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.43 3cia h ARG 356 CO -0.01 0.13 0.06 0.82 0.56 0.00 0.00 179.97 181.53 3cia h ILE 357 N 0.20 0.82 0.03 2.04 2.04 -1.32 -0.01 117.51 121.30 3cia h ILE 357 Ca 0.21 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.83 3cia h ILE 357 Cb 0.26 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3cia h ILE 357 CO -0.28 0.00 -1.00 0.24 0.00 0.00 0.00 178.15 177.11 3cia h MET 358 N 0.00 0.34 -0.26 2.37 2.86 -0.10 -2.63 114.93 117.51 3cia h MET 358 Ca 0.03 -0.40 -0.08 0.00 -2.06 0.00 0.00 59.70 57.19 3cia h MET 358 Cb 0.15 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3cia h MET 358 CO -0.00 1.10 -0.16 1.49 1.06 0.00 0.00 176.91 180.40 3cia h GLU 359 N 0.17 0.57 -0.49 1.72 4.81 0.06 0.18 114.58 121.60 3cia h GLU 359 Ca -0.09 -0.26 -0.13 0.00 -0.13 0.00 0.00 59.36 58.75 3cia h GLU 359 Cb 1.65 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.01 3cia h GLU 359 CO 0.17 0.83 -0.20 0.00 -0.73 0.00 0.00 179.01 179.08 3cia h ALA 360 N 0.72 0.69 0.02 2.92 0.00 -1.06 0.18 119.26 122.72 3cia h ALA 360 Ca 0.05 -0.39 -0.32 0.00 0.00 0.00 0.00 54.91 54.26 3cia h ALA 360 Cb 0.68 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3cia h ALA 360 CO 0.04 0.67 -1.91 1.33 0.00 0.00 0.00 179.25 179.38 3cia n VAL 361 N -4.12 1.59 0.45 0.00 0.24 -0.99 -4.56 118.33 110.93 3cia n VAL 361 Ca 0.00 -0.78 0.07 0.00 -2.04 0.00 0.00 64.34 61.59 3cia n VAL 361 Cb 0.45 -1.04 -0.09 0.00 -1.47 0.00 0.00 33.84 31.69 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 -3.06 0.00 0.00 6.34 3.01 0.03 -5.10 117.46 118.68 3cia n PHE 362 Ca -0.23 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.23 3cia n PHE 362 Cb 1.07 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 40.43 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 1.44 1.96 0.08 1.37 0.00 0.62 -4.58 105.19 106.09 3cia n GLY 363 Ca 0.01 -1.77 0.11 0.00 0.00 0.00 0.00 46.02 44.37 3cia n GLY 363 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cia n THR 364 N 1.82 0.72 0.10 2.61 -2.24 -1.26 -1.92 114.28 114.11 3cia n THR 364 Ca 0.00 0.10 -0.16 0.00 -2.27 0.00 0.00 64.05 61.72 3cia n THR 364 Cb 0.00 -0.93 -0.12 0.00 -2.10 0.00 0.00 70.33 67.18 3cia n THR 364 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3cia h ASP 365 N 0.00 0.46 -0.27 3.42 3.45 -1.95 -1.00 116.42 120.54 3cia h ASP 365 Ca 0.00 -0.46 -0.04 0.00 0.43 0.00 0.00 57.03 56.96 3cia h ASP 365 Cb 0.43 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.04 3cia h ASP 365 CO 0.00 1.34 0.03 -0.09 -1.57 0.00 0.00 179.24 178.95 3cia h ARG 366 N 0.11 0.46 -0.38 3.56 9.65 -1.71 -3.04 114.38 123.03 3cia h ARG 366 Ca -0.13 -0.13 0.07 0.00 -1.10 0.00 0.00 59.98 58.69 3cia h ARG 366 Cb 1.89 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 30.36 3cia h ARG 366 CO 0.20 0.59 -0.01 0.00 2.80 0.00 0.00 179.97 183.54 3cia h ALA 367 N 0.85 0.33 0.00 2.80 0.00 -1.37 -2.53 119.26 119.35 3cia h ALA 367 Ca 0.08 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3cia h ALA 367 Cb 0.36 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3cia h ALA 367 CO 0.01 -0.41 -0.59 1.33 0.00 0.00 0.00 179.25 179.59 3cia n VAL 368 N -5.21 0.25 0.25 0.00 0.24 -0.38 -2.34 118.33 111.14 3cia n VAL 368 Ca 0.02 -0.20 0.14 0.00 -2.04 0.00 0.00 64.34 62.27 3cia n VAL 368 Cb 0.20 -0.04 0.45 0.00 -1.47 0.00 0.00 33.84 32.99 3cia n VAL 368 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 3cia h MET 369 N 0.00 0.00 0.00 7.34 -1.53 -1.39 -2.34 114.93 117.00 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 0.68 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.69 3cia h MET 369 CO 0.00 0.04 -1.83 0.39 0.14 0.00 0.00 176.91 175.65 3cia n GLU 370 N -3.13 0.65 0.12 0.39 1.02 -0.97 -3.20 120.64 115.52 3cia n GLU 370 Ca 0.02 0.08 -0.03 0.00 -0.02 0.00 0.00 57.16 57.21 3cia n GLU 370 Cb 0.42 -1.67 0.10 0.00 -0.02 0.00 0.00 31.44 30.27 3cia n GLU 370 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3cia h GLN 371 N 0.00 0.00 0.11 3.49 4.20 -1.26 -2.54 115.11 119.11 3cia h GLN 371 Ca -0.26 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 3cia h GLN 371 Cb 1.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.48 3cia h GLN 371 CO 0.03 0.71 -0.05 0.00 -0.67 0.00 0.00 178.83 178.85 3cia h ALA 372 N 1.29 -0.58 -1.36 3.87 0.00 -1.59 0.18 119.26 121.07 3cia h ALA 372 Ca -0.01 -0.03 0.48 0.00 0.00 0.00 0.00 54.91 55.35 3cia h ALA 372 Cb 1.26 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.96 3cia h ALA 372 CO 0.09 -0.57 0.87 -0.11 0.00 0.00 0.00 179.25 179.53 3cia n LEU 373 N -2.63 0.22 -0.01 0.00 7.94 -1.19 0.16 117.00 121.49 3cia n LEU 373 Ca -0.02 1.40 -0.18 0.00 -1.11 0.00 0.00 56.01 56.10 3cia n LEU 373 Cb 0.06 -0.69 -0.14 0.00 0.53 0.00 0.00 43.42 43.18 3cia n LEU 373 CO 0.04 -1.52 0.06 1.23 -1.11 0.00 0.00 177.39 176.09 3cia h GLY 374 N 0.00 0.19 1.53 -3.96 0.00 -1.46 -3.32 103.07 96.04 3cia h GLY 374 Ca 0.88 -0.48 0.05 0.00 0.00 0.00 0.00 47.33 47.79 3cia h GLY 374 CO -0.48 0.42 0.19 0.00 0.00 0.00 0.00 176.54 176.66 3cia h ALA 375 N -0.01 1.86 -0.14 3.60 0.00 0.19 -0.85 119.26 123.91 3cia h ALA 375 Ca -0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3cia h ALA 375 Cb 1.41 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3cia h ALA 375 CO 0.06 -0.28 0.02 1.96 0.00 0.00 0.00 179.25 181.01 3cia h GLN 376 N 0.00 0.19 0.16 0.00 4.20 -1.32 -2.81 115.11 115.54 3cia h GLN 376 Ca 0.09 -0.02 -0.31 0.00 0.06 0.00 0.00 58.65 58.46 3cia h GLN 376 Cb 0.46 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.21 3cia h GLN 376 CO -0.00 0.20 -1.50 -0.44 -0.67 0.00 0.00 178.83 176.41 3cia h ASP 377 N 0.19 0.53 -0.17 1.46 5.19 -1.27 -2.84 116.42 119.52 3cia h ASP 377 Ca 0.05 -0.67 0.05 0.00 -0.62 0.00 0.00 57.03 55.84 3cia h ASP 377 Cb 0.10 -0.17 -0.05 0.00 0.18 0.00 0.00 39.33 39.39 3cia h ASP 377 CO -0.00 1.54 -0.14 0.25 -3.12 0.00 0.00 179.24 177.77 3cia h LEU 378 N 0.09 -0.45 -1.00 1.55 5.85 -1.44 0.51 115.31 120.43 3cia h LEU 378 Ca -0.24 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 3cia h LEU 378 Cb 2.05 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 43.27 3cia h LEU 378 CO 0.20 -0.18 0.32 0.78 -0.34 0.00 0.00 178.44 179.21 3cia h ASN 379 N -0.15 0.94 -0.13 1.25 2.35 -1.59 0.17 115.58 118.43 3cia h ASN 379 Ca 0.11 -0.12 -0.14 0.00 -0.55 0.00 0.00 56.30 55.60 3cia h ASN 379 Cb 0.31 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3cia h ASN 379 CO -0.26 0.82 -0.41 0.00 -1.65 0.00 0.00 177.43 175.93 3cia h ALA 380 N 1.32 0.77 -0.19 -0.83 0.00 -1.03 -2.95 119.26 116.35 3cia h ALA 380 Ca 0.25 -0.45 -0.21 0.00 0.00 0.00 0.00 54.91 54.50 3cia h ALA 380 Cb 0.14 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.83 3cia h ALA 380 CO -0.03 0.66 -0.69 0.93 0.00 0.00 0.00 179.25 180.12 3cia h GLU 381 N 0.54 0.78 -0.98 0.00 5.08 0.47 -2.91 114.58 117.57 3cia h GLU 381 Ca 0.04 -0.58 0.15 0.00 -1.00 0.00 0.00 59.36 57.97 3cia h GLU 381 Cb 0.94 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.20 3cia h GLU 381 CO 0.08 1.20 0.62 0.82 -1.00 0.00 0.00 179.01 180.73 3cia h ILE 382 N 0.56 0.83 0.16 3.13 1.08 -0.63 0.16 117.51 122.80 3cia h ILE 382 Ca -0.03 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.15 3cia h ILE 382 Cb 1.31 -0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 3cia h ILE 382 CO 0.14 0.15 -0.08 -0.07 -0.69 0.00 0.00 178.15 177.61 3cia h LEU 383 N 0.84 -0.19 -0.16 1.44 4.07 -1.39 -2.60 115.31 117.33 3cia h LEU 383 Ca 0.51 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.43 3cia h LEU 383 Cb 0.69 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.48 3cia h LEU 383 CO -0.29 -0.08 0.00 -0.62 -1.08 0.00 0.00 178.44 176.37 3cia n GLU 384 N -5.16 1.11 -3.99 1.13 4.71 -0.83 -4.87 120.64 112.74 3cia n GLU 384 Ca -0.09 -0.16 -0.27 0.00 -0.01 0.00 0.00 57.16 56.63 3cia n GLU 384 Cb 0.13 -1.44 -0.04 0.00 -1.01 0.00 0.00 31.44 29.08 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 -1.88 4.13 0.08 -4.62 2.96 0.50 -5.06 118.68 114.80 3cia s LEU 385 Ca 0.41 0.09 -0.31 0.00 -0.22 0.00 0.00 54.13 54.10 3cia s LEU 385 Cb 0.20 -2.73 -0.06 0.00 0.50 0.00 0.00 46.19 44.09 3cia s LEU 385 CO 0.32 0.09 1.23 -0.62 -1.32 0.00 0.00 176.35 176.06 3cia s ASP 386 N -2.97 7.03 -0.17 3.68 -1.08 -1.26 -4.87 116.67 117.03 3cia s ASP 386 Ca 0.33 2.09 -0.04 0.00 -0.52 0.00 0.00 52.55 54.41 3cia s ASP 386 Cb -0.11 -2.58 -0.13 0.00 -1.46 0.00 0.00 42.92 38.64 3cia s ASP 386 CO 0.26 -0.49 2.17 0.00 0.52 0.00 0.00 175.17 177.63 3cia n ALA 387 N 3.80 4.04 0.00 3.66 0.00 -1.26 -1.55 120.51 129.20 3cia n ALA 387 Ca 0.09 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.36 3cia n ALA 387 Cb 0.45 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.48 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 3.02 0.00 0.15 0.00 2.88 -1.26 -4.80 113.62 113.61 3cia n SER 388 Ca 0.27 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.93 3cia n SER 388 Cb 0.42 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.14 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 0.00 -3.46 3.32 -1.64 -3.11 116.42 111.53 3cia h ASP 389 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 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 0.01 0.00 0.35 -1.72 0.00 0.00 179.24 177.88 3cia n THR 390 N -2.63 0.00 -3.03 0.35 -2.24 -1.21 -4.76 114.28 100.77 3cia n THR 390 Ca 0.04 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.50 3cia n THR 390 Cb 0.48 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.00 4.04 -0.06 -0.78 -0.21 -1.18 -4.11 119.66 115.36 3cia s GLN 391 Ca 0.32 0.76 -0.26 0.00 0.02 0.00 0.00 55.36 56.21 3cia s GLN 391 Cb 0.15 -2.36 -0.23 0.00 1.00 0.00 0.00 33.01 31.57 3cia s GLN 391 CO 0.25 0.09 1.05 1.25 -2.12 0.00 0.00 175.29 175.81 3cia h LEU 392 N 2.08 0.10 -6.58 2.90 5.85 -1.71 -3.29 115.31 114.65 3cia h LEU 392 Ca -0.48 -0.73 -0.75 0.00 0.84 0.00 0.00 57.88 56.76 3cia h LEU 392 Cb 1.18 -0.03 -0.15 0.00 0.37 0.00 0.00 40.66 42.02 3cia h LEU 392 CO 0.64 0.81 1.97 0.00 -0.34 0.00 0.00 178.44 181.52 3cia n TYR 393 N -4.65 3.18 -2.08 1.25 9.36 0.17 -4.49 117.16 119.88 3cia n TYR 393 Ca -0.09 -2.85 -0.39 0.00 3.32 0.00 0.00 57.90 57.89 3cia n TYR 393 Cb 0.41 -1.99 -0.00 0.00 -0.63 0.00 0.00 39.34 37.13 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 0.57 2.69 -0.20 2.97 2.07 -1.24 -4.94 121.20 123.13 3cia s ILE 394 Ca 0.40 0.59 -0.14 0.00 -1.41 0.00 0.00 60.65 60.08 3cia s ILE 394 Cb 0.08 -3.33 -0.04 0.00 0.13 0.00 0.00 42.46 39.30 3cia s ILE 394 CO 0.00 0.06 0.32 -0.62 -1.91 0.00 0.00 174.94 172.79 3cia s ASP 395 N -0.92 6.37 0.43 4.50 2.15 -1.26 -4.62 116.67 123.32 3cia s ASP 395 Ca 0.60 0.42 0.24 0.00 0.43 0.00 0.00 52.55 54.24 3cia s ASP 395 Cb -0.36 -2.19 0.61 0.00 -0.30 0.00 0.00 42.92 40.68 3cia s ASP 395 CO 0.45 -0.00 1.70 -0.07 -0.17 0.00 0.00 175.17 177.07 3cia h LEU 396 N 7.38 0.00 0.61 -1.34 3.38 -1.95 -3.47 115.31 119.91 3cia h LEU 396 Ca -0.38 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.33 3cia h LEU 396 Cb 1.16 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.81 3cia h LEU 396 CO 0.71 0.14 -0.24 0.29 0.09 0.00 0.00 178.44 179.43 3cia n LYS 397 N -3.17 -1.27 -0.83 1.13 5.02 -1.26 -1.47 118.16 116.31 3cia n LYS 397 Ca 0.02 0.92 0.00 0.00 -2.02 0.00 0.00 58.31 57.24 3cia n LYS 397 Cb 0.50 -5.13 0.00 0.00 -0.02 0.00 0.00 35.03 30.38 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 -0.65 0.61 2.87 0.72 0.00 -1.26 -5.05 105.19 102.42 3cia n GLY 398 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.77 -1.90 -2.72 1.61 1.74 -0.54 -5.01 116.66 107.06 3cia n ARG 399 Ca 0.00 -1.48 -0.42 0.00 -0.77 0.00 0.00 57.85 55.18 3cia n ARG 399 Cb 0.00 -1.18 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 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 -4.28 7.30 0.12 0.55 3.68 -1.26 -4.91 116.67 117.87 3cia s ASP 400 Ca 0.57 1.58 0.05 0.00 2.13 0.00 0.00 52.55 56.88 3cia s ASP 400 Cb -0.04 -2.55 0.29 0.00 -1.45 0.00 0.00 42.92 39.17 3cia s ASP 400 CO 0.42 -0.33 1.01 -2.65 0.13 0.00 0.00 175.17 173.76 3cia n PRO 401 N 4.33 0.04 -0.09 4.34 -0.02 -1.26 -1.06 135.00 141.28 3cia n PRO 401 Ca 0.07 0.41 -0.23 0.00 -2.02 0.00 0.00 63.50 61.73 3cia n PRO 401 Cb 0.50 -1.84 -0.12 0.00 -0.02 0.00 0.00 33.50 32.03 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 -1.60 1.94 0.01 2.55 8.00 -1.26 -4.43 116.55 121.75 3cia n ASP 402 Ca -0.00 0.32 -0.11 0.00 0.71 0.00 0.00 54.79 55.70 3cia n ASP 402 Cb 0.23 -0.87 -0.07 0.00 -0.02 0.00 0.00 41.12 40.38 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 -0.73 -1.26 -0.21 -2.24 3.58 -1.48 -3.22 116.42 110.85 3cia h ASP 403 Ca -0.47 0.15 -0.46 0.00 0.42 0.00 0.00 57.03 56.67 3cia h ASP 403 Cb 1.56 0.49 0.02 0.00 1.72 0.00 0.00 39.33 43.12 3cia h ASP 403 CO -0.20 -0.37 1.51 0.00 -2.88 0.00 0.00 179.24 177.30 3cia n ALA 404 N -2.88 2.19 -3.71 -0.78 0.00 -0.39 -4.82 120.51 110.13 3cia n ALA 404 Ca -0.05 -3.05 -0.12 0.00 0.00 0.00 0.00 53.44 50.22 3cia n ALA 404 Cb 0.29 -3.56 -0.13 0.00 0.00 0.00 0.00 19.45 16.05 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 8.75 -0.41 0.00 0.00 2.19 -1.22 -4.85 117.98 122.45 3cia s PHE 405 Ca 0.65 0.93 0.00 0.00 0.33 0.00 0.00 56.93 58.84 3cia s PHE 405 Cb 0.07 0.09 0.00 0.00 -1.31 0.00 0.00 43.02 41.86 3cia s PHE 405 CO 0.15 -0.28 0.00 -1.13 1.83 0.00 0.00 175.22 175.80 3cia n SER 406 N 4.42 0.00 -0.00 6.13 3.41 -1.26 -5.03 113.62 121.28 3cia n SER 406 Ca -0.22 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.47 3cia n SER 406 Cb 0.53 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.61 0.06 5.00 0.00 -1.26 -4.65 105.19 103.72 3cia n GLY 407 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 3cia n GLY 407 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3cia n VAL 408 N -1.75 -0.10 -0.24 1.61 0.31 -1.26 -2.42 118.33 114.48 3cia n VAL 408 Ca -0.00 1.37 0.15 0.00 -0.01 0.00 0.00 64.34 65.84 3cia n VAL 408 Cb 0.34 -1.79 0.44 0.00 -0.91 0.00 0.00 33.84 31.92 3cia n VAL 408 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3cia h PRO 409 N 0.00 0.54 0.43 5.55 0.13 -1.89 -0.47 132.00 136.28 3cia h PRO 409 Ca 0.02 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 3cia h PRO 409 Cb 0.06 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.07 3cia h PRO 409 CO -0.14 0.36 -0.21 1.88 -0.23 0.00 0.00 178.00 179.66 3cia h TYR 410 N 0.55 -0.54 0.03 1.56 -1.99 -1.68 -2.09 116.97 112.82 3cia h TYR 410 Ca 0.44 -0.01 -0.15 0.00 2.00 0.00 0.00 58.73 61.01 3cia h TYR 410 Cb 0.88 0.18 0.01 0.00 2.00 0.00 0.00 36.73 39.80 3cia h TYR 410 CO -0.00 -0.33 -0.59 0.28 -0.00 0.00 0.00 178.16 177.51 3cia h VAL 411 N -0.74 1.47 0.00 -2.88 2.07 -1.49 -1.28 116.25 113.40 3cia h VAL 411 Ca -0.06 -2.16 -0.08 0.00 0.82 0.00 0.00 66.70 65.22 3cia h VAL 411 Cb 0.44 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 3cia h VAL 411 CO 0.10 0.62 -0.39 0.50 0.02 0.00 0.00 177.57 178.42 3cia h LYS 412 N -0.22 0.00 0.00 1.57 3.64 -1.27 0.11 116.57 120.40 3cia h LYS 412 Ca -0.08 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 3cia h LYS 412 Cb 1.34 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 3cia h LYS 412 CO 0.12 0.39 -0.22 0.78 -2.27 0.00 0.00 179.45 178.24 3cia h GLY 413 N 1.39 0.00 0.32 5.01 0.00 -1.43 -1.66 103.07 106.70 3cia h GLY 413 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3cia h GLY 413 CO 0.05 0.00 -0.19 -1.61 0.00 0.00 0.00 176.54 174.79 3cia h GLN 414 N 0.00 0.11 -0.48 4.80 4.15 -0.72 -2.96 115.11 120.01 3cia h GLN 414 Ca -0.00 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.29 3cia h GLN 414 Cb 1.16 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 3cia h GLN 414 CO 0.03 0.93 0.29 -0.07 -1.93 0.00 0.00 178.83 178.08 3cia h LEU 415 N -0.66 0.56 -0.39 -2.39 3.38 -0.82 0.52 115.31 115.50 3cia h LEU 415 Ca -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3cia h LEU 415 Cb 1.01 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3cia h LEU 415 CO 0.04 0.43 0.25 0.15 0.09 0.00 0.00 178.44 179.40 3cia h PHE 416 N 0.65 0.50 0.00 1.13 3.57 -1.35 -0.46 116.94 120.98 3cia h PHE 416 Ca 0.17 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.57 3cia h PHE 416 Cb -0.03 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3cia h PHE 416 CO 0.00 0.33 -0.54 -0.07 -2.23 0.00 0.00 178.31 175.80 3cia h LEU 417 N 0.53 0.00 -1.36 0.59 3.38 -1.10 -2.66 115.31 114.69 3cia h LEU 417 Ca 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 3cia h LEU 417 Cb -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3cia h LEU 417 CO -0.03 0.54 -0.22 0.24 0.09 0.00 0.00 178.44 179.06 3cia h MET 418 N 0.00 0.00 -0.10 1.13 2.86 0.30 0.31 114.93 119.43 3cia h MET 418 Ca -0.01 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 3cia h MET 418 Cb 1.37 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.03 3cia h MET 418 CO 0.07 0.22 -0.49 -0.92 1.06 0.00 0.00 176.91 176.85 3cia h TYR 419 N 0.00 0.68 0.00 -0.22 3.20 -0.74 -2.07 116.97 117.81 3cia h TYR 419 Ca -0.00 -0.30 -0.08 0.00 3.14 0.00 0.00 58.73 61.48 3cia h TYR 419 Cb 0.63 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 3cia h TYR 419 CO 0.00 1.07 -0.40 -0.07 -1.64 0.00 0.00 178.16 177.13 3cia h LEU 420 N 0.10 0.00 0.55 2.82 3.38 -1.24 -1.72 115.31 119.20 3cia h LEU 420 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3cia h LEU 420 Cb 1.13 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.89 3cia h LEU 420 CO 0.10 0.40 -0.27 -0.08 0.09 0.00 0.00 178.44 178.68 3cia h GLU 421 N 0.00 -0.72 -1.05 1.13 4.81 -0.83 -0.94 114.58 116.98 3cia h GLU 421 Ca -0.00 0.05 0.27 0.00 -0.13 0.00 0.00 59.36 59.55 3cia h GLU 421 Cb 0.88 0.16 -0.11 0.00 0.63 0.00 0.00 28.75 30.31 3cia h GLU 421 CO 0.05 -0.48 0.66 0.93 -0.73 0.00 0.00 179.01 179.44 3cia h GLU 422 N -1.06 0.41 -0.11 1.92 5.08 -1.31 1.90 114.58 121.41 3cia h GLU 422 Ca -0.08 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.06 3cia h GLU 422 Cb 0.57 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3cia h GLU 422 CO 0.13 0.27 -0.74 0.87 -1.00 0.00 0.00 179.01 178.54 3cia h LYS 423 N 0.42 0.53 0.00 2.33 1.79 -1.17 -3.36 116.57 117.11 3cia h LYS 423 Ca 0.63 -0.43 -0.07 0.00 -2.18 0.00 0.00 60.65 58.60 3cia h LYS 423 Cb 1.51 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 32.24 3cia h LYS 423 CO -0.36 1.06 -1.55 1.19 -1.08 0.00 0.00 179.45 178.71 3cia n PHE 424 N -3.87 0.00 0.00 -1.35 3.01 -0.25 -5.00 117.46 110.00 3cia n PHE 424 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 3cia n PHE 424 Cb 0.71 -0.33 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 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 2.11 1.56 0.14 1.37 0.00 0.63 -4.43 105.19 106.57 3cia n GLY 425 Ca -0.07 -1.84 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 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 0.36 -0.67 1.61 2.47 -1.95 0.97 114.38 117.17 3cia h ARG 426 Ca 0.00 -0.20 0.10 0.00 -1.26 0.00 0.00 59.98 58.62 3cia h ARG 426 Cb 0.00 0.01 -0.11 0.00 -1.65 0.00 0.00 29.97 28.22 3cia h ARG 426 CO 0.00 0.76 -0.44 1.49 0.56 0.00 0.00 179.97 182.34 3cia h GLU 427 N -0.02 -0.17 -0.01 0.04 4.57 -1.97 0.83 114.58 117.86 3cia h GLU 427 Ca 0.02 0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.05 3cia h GLU 427 Cb 0.70 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.35 3cia h GLU 427 CO 0.04 -0.11 -0.63 0.00 -1.18 0.00 0.00 179.01 177.12 3cia h ARG 428 N -0.18 0.45 0.34 1.92 -0.00 -1.77 -2.36 114.38 112.77 3cia h ARG 428 Ca 0.20 -0.47 -0.02 0.00 -0.50 0.00 0.00 59.98 59.20 3cia h ARG 428 Cb 0.55 0.13 0.00 0.00 0.00 0.00 0.00 29.97 30.66 3cia h ARG 428 CO -0.75 1.12 -0.16 0.35 0.00 0.00 0.00 179.97 180.53 3cia h PHE 429 N -0.04 -0.42 -0.38 3.04 3.57 -0.40 -2.69 116.94 119.63 3cia h PHE 429 Ca -0.08 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.45 3cia h PHE 429 Cb 1.33 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 40.19 3cia h PHE 429 CO 0.14 -0.13 0.25 -0.44 -2.23 0.00 0.00 178.31 175.90 3cia h ASP 430 N -0.68 0.33 -0.31 0.41 5.19 0.57 0.38 116.42 122.31 3cia h ASP 430 Ca -0.05 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.33 3cia h ASP 430 Cb 0.48 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 3cia h ASP 430 CO 0.08 0.23 0.10 0.00 -3.12 0.00 0.00 179.24 176.52 3cia h ALA 431 N 1.78 0.41 0.85 3.45 0.00 -1.41 -0.16 119.26 124.18 3cia h ALA 431 Ca 0.15 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3cia h ALA 431 Cb 0.13 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.81 3cia h ALA 431 CO -0.04 0.05 -0.41 0.35 0.00 0.00 0.00 179.25 179.21 3cia h PHE 432 N 0.35 -1.06 -0.90 0.00 3.57 -1.08 -0.88 116.94 116.95 3cia h PHE 432 Ca 0.10 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.72 3cia h PHE 432 Cb 0.25 0.35 -0.09 0.00 2.79 0.00 0.00 35.95 39.25 3cia h PHE 432 CO 0.01 -0.65 0.50 0.28 -2.23 0.00 0.00 178.31 176.21 3cia h VAL 433 N -1.18 0.76 -0.26 1.41 2.07 -0.91 0.58 116.25 118.73 3cia h VAL 433 Ca -0.12 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 3cia h VAL 433 Cb 0.88 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3cia h VAL 433 CO 0.19 0.13 0.13 0.25 0.02 0.00 0.00 177.57 178.29 3cia h LEU 434 N 0.71 0.33 -1.02 2.57 5.85 -0.83 -2.24 115.31 120.68 3cia h LEU 434 Ca 0.48 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 3cia h LEU 434 Cb 0.65 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 3cia h LEU 434 CO -0.34 0.34 0.48 -0.33 -0.34 0.00 0.00 178.44 178.24 3cia h GLU 435 N 0.29 1.16 -0.42 1.25 5.08 0.63 -1.30 114.58 121.27 3cia h GLU 435 Ca 0.09 -0.12 0.09 0.00 -1.00 0.00 0.00 59.36 58.41 3cia h GLU 435 Cb 0.09 -0.23 -0.08 0.00 0.50 0.00 0.00 28.75 29.02 3cia h GLU 435 CO -0.01 0.84 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.77 3cia h TYR 436 N 1.17 -0.34 -0.26 4.33 3.20 0.32 0.85 116.97 126.24 3cia h TYR 436 Ca 0.30 0.04 -0.17 0.00 3.14 0.00 0.00 58.73 62.04 3cia h TYR 436 Cb 0.00 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 3cia h TYR 436 CO 0.01 -0.23 -0.51 0.74 -1.64 0.00 0.00 178.16 176.53 3cia h PHE 437 N -0.05 0.91 -0.40 -3.82 0.05 -1.03 -2.89 116.94 109.71 3cia h PHE 437 Ca 0.21 -0.31 -0.02 0.00 3.82 0.00 0.00 57.97 61.67 3cia h PHE 437 Cb 0.37 -0.18 -0.02 0.00 2.00 0.00 0.00 35.95 38.12 3cia h PHE 437 CO -0.40 1.09 0.19 -0.44 -0.18 0.00 0.00 178.31 178.57 3cia h ASP 438 N 0.57 0.53 0.90 2.17 3.32 -0.92 -2.96 116.42 120.03 3cia h ASP 438 Ca 0.02 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 3cia h ASP 438 Cb 1.08 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 3cia h ASP 438 CO 0.11 0.51 -0.01 0.77 -1.72 0.00 0.00 179.24 178.89 3cia h SER 439 N 0.51 0.00 -0.18 6.45 4.64 -0.85 -2.95 113.55 121.18 3cia h SER 439 Ca 0.14 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.41 3cia h SER 439 Cb 0.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 3cia h SER 439 CO -0.02 0.01 -0.09 1.41 -0.87 0.00 0.00 176.83 177.28 3cia n HIS 440 N -3.11 0.59 -1.58 4.77 8.25 -1.09 -5.02 115.22 118.02 3cia n HIS 440 Ca 0.00 -1.19 -0.51 0.00 -0.26 0.00 0.00 57.72 55.77 3cia n HIS 440 Cb 0.29 -0.31 -0.06 0.00 1.12 0.00 0.00 29.99 31.03 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 -1.02 0.83 -2.79 -1.41 0.00 -1.12 -1.36 120.51 113.65 3cia n ALA 441 Ca 0.23 0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.63 3cia n ALA 441 Cb 0.83 -2.50 0.03 0.00 0.00 0.00 0.00 19.45 17.81 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 8.12 -1.41 -4.71 0.00 3.72 0.23 -5.00 117.46 118.42 3cia n PHE 442 Ca 0.32 0.37 -0.31 0.00 -0.05 0.00 0.00 57.45 57.77 3cia n PHE 442 Cb 0.25 -3.54 -0.08 0.00 -0.94 0.00 0.00 39.48 35.17 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 -5.35 2.13 0.19 -1.08 -0.21 -0.46 -5.00 119.66 109.87 3cia s GLN 443 Ca 0.21 -2.34 0.10 0.00 0.02 0.00 0.00 55.36 53.35 3cia s GLN 443 Cb -0.09 -1.37 -0.04 0.00 1.00 0.00 0.00 33.01 32.50 3cia s GLN 443 CO 0.26 -0.36 -0.18 0.45 -2.12 0.00 0.00 175.29 173.34 3cia s SER 444 N -3.82 3.76 -0.08 5.90 0.15 -1.26 -1.26 113.70 117.10 3cia s SER 444 Ca 0.11 -0.75 -0.20 0.00 0.70 0.00 0.00 55.95 55.81 3cia s SER 444 Cb 0.02 -0.44 0.04 0.00 -1.71 0.00 0.00 66.02 63.94 3cia s SER 444 CO 0.06 0.11 0.46 -0.22 1.20 0.00 0.00 173.24 174.85 3cia s LEU 445 N -2.73 0.25 0.24 3.45 2.96 0.49 -4.85 118.68 118.48 3cia s LEU 445 Ca 0.22 0.53 0.10 0.00 -0.22 0.00 0.00 54.13 54.76 3cia s LEU 445 Cb -0.08 1.71 -0.04 0.00 0.50 0.00 0.00 46.19 48.28 3cia s LEU 445 CO 0.12 -0.40 -0.07 -0.83 -1.32 0.00 0.00 176.35 173.85 3cia s GLY 446 N -0.79 1.72 0.16 7.98 0.00 -1.26 -0.82 107.32 114.31 3cia s GLY 446 Ca -0.09 -1.64 -0.20 0.00 0.00 0.00 0.00 44.72 42.79 3cia s GLY 446 CO 0.05 -1.70 1.64 -0.84 0.00 0.00 0.00 173.10 172.24 3cia h THR 447 N 2.24 0.43 -0.95 0.90 2.02 -1.91 -0.38 112.91 115.26 3cia h THR 447 Ca -0.44 0.00 0.17 0.00 0.77 0.00 0.00 66.41 66.90 3cia h THR 447 Cb 1.24 0.43 -0.08 0.00 -1.74 0.00 0.00 68.15 68.00 3cia h THR 447 CO 0.58 0.00 0.60 0.44 0.37 0.00 0.00 175.52 177.52 3cia h ASP 448 N -0.14 0.70 0.49 4.18 3.45 -2.00 -2.01 116.42 121.09 3cia h ASP 448 Ca 0.18 0.06 -0.30 0.00 0.43 0.00 0.00 57.03 57.40 3cia h ASP 448 Cb 0.42 -0.07 0.01 0.00 -0.56 0.00 0.00 39.33 39.12 3cia h ASP 448 CO -0.45 0.31 -1.40 0.78 -1.57 0.00 0.00 179.24 176.92 3cia h ASN 449 N 0.72 0.51 -0.66 6.45 2.35 -1.71 -3.03 115.58 120.20 3cia h ASN 449 Ca 0.50 -0.59 0.14 0.00 -0.55 0.00 0.00 56.30 55.80 3cia h ASN 449 Cb 0.82 -0.17 -0.12 0.00 0.05 0.00 0.00 38.32 38.90 3cia h ASN 449 CO -0.27 1.47 -0.12 0.15 -1.65 0.00 0.00 177.43 177.02 3cia h PHE 450 N 0.09 -0.27 -0.08 1.19 3.57 -0.39 -1.11 116.94 119.94 3cia h PHE 450 Ca -0.20 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.38 3cia h PHE 450 Cb 2.03 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 40.97 3cia h PHE 450 CO 0.08 -0.26 -0.06 0.28 -2.23 0.00 0.00 178.31 176.12 3cia h VAL 451 N 0.03 0.82 -0.63 1.41 2.07 -1.43 0.33 116.25 118.85 3cia h VAL 451 Ca 0.33 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.96 3cia h VAL 451 Cb 0.52 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 31.02 3cia h VAL 451 CO -0.65 0.00 0.19 0.50 0.02 0.00 0.00 177.57 177.63 3cia h LYS 452 N -0.07 0.33 -0.25 1.57 1.63 -1.23 0.72 116.57 119.29 3cia h LYS 452 Ca 0.05 -0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.67 3cia h LYS 452 Cb 0.15 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 3cia h LYS 452 CO -0.12 0.22 -0.50 -0.92 -3.45 0.00 0.00 179.45 174.68 3cia h TYR 453 N 0.34 0.84 0.00 1.91 3.20 -0.51 0.30 116.97 123.05 3cia h TYR 453 Ca 0.33 -0.28 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 3cia h TYR 453 Cb 0.46 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3cia h TYR 453 CO -0.20 1.04 -0.34 1.25 -1.64 0.00 0.00 178.16 178.26 3cia h LEU 454 N 0.53 0.00 0.04 2.82 6.46 0.31 0.15 115.31 125.63 3cia h LEU 454 Ca 0.02 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.59 3cia h LEU 454 Cb 1.05 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.97 3cia h LEU 454 CO 0.10 0.34 -1.04 0.11 -0.62 0.00 0.00 178.44 177.33 3cia h LYS 455 N 0.00 0.08 0.00 1.25 1.57 -0.62 -1.87 116.57 116.99 3cia h LYS 455 Ca -0.00 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 3cia h LYS 455 Cb 0.65 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 3cia h LYS 455 CO 0.04 1.06 -0.09 0.00 -0.57 0.00 0.00 179.45 179.90 3cia h ALA 456 N -0.24 1.10 -0.02 3.86 0.00 -0.90 0.56 119.26 123.62 3cia h ALA 456 Ca -0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3cia h ALA 456 Cb 1.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3cia h ALA 456 CO -0.08 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.38 3cia n ASN 457 N -3.34 1.51 0.00 0.00 3.02 0.52 -4.32 115.26 112.64 3cia n ASN 457 Ca -0.01 -1.29 0.00 0.00 -0.03 0.00 0.00 54.58 53.25 3cia n ASN 457 Cb 0.28 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 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 0.23 0.00 0.29 3.41 0.00 -0.96 -4.72 117.00 115.25 3cia n LEU 458 Ca 0.03 0.00 0.18 0.00 0.00 0.00 0.00 56.01 56.22 3cia n LEU 458 Cb 0.14 0.00 0.94 0.00 0.00 0.00 0.00 43.42 44.51 3cia n LEU 458 CO 0.03 -0.01 1.15 0.74 0.00 0.00 0.00 177.39 179.30 3cia h THR 459 N 0.00 0.15 0.00 1.96 2.02 -1.40 0.23 112.91 115.87 3cia h THR 459 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3cia h THR 459 Cb 0.00 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3cia h THR 459 CO 0.00 0.00 -1.29 0.47 0.37 0.00 0.00 175.52 175.07 3cia n ASP 460 N -3.24 3.20 -0.05 4.18 9.92 0.20 -3.90 116.55 126.86 3cia n ASP 460 Ca -0.01 -0.03 -0.14 0.00 -0.53 0.00 0.00 54.79 54.08 3cia n ASP 460 Cb 0.28 1.32 -0.08 0.00 -0.64 0.00 0.00 41.12 42.00 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 0.41 -3.31 -1.24 3.64 -1.05 -3.33 116.57 111.70 3cia h LYS 461 Ca 0.00 -0.28 -0.66 0.00 -1.27 0.00 0.00 60.65 58.44 3cia h LYS 461 Cb 0.32 0.04 -0.39 0.00 -0.41 0.00 0.00 32.23 31.80 3cia h LYS 461 CO 0.00 0.88 -0.42 0.71 -2.27 0.00 0.00 179.45 178.35 3cia s TYR 462 N -3.96 3.53 0.58 1.91 2.02 0.63 -5.01 117.35 117.05 3cia s TYR 462 Ca -0.14 -3.10 -0.17 0.00 -0.37 0.00 0.00 57.07 53.29 3cia s TYR 462 Cb 0.05 -2.97 -0.04 0.00 -0.40 0.00 0.00 41.96 38.60 3cia s TYR 462 CO 0.78 -0.70 1.10 -1.25 -1.57 0.00 0.00 175.55 173.91 3cia s PRO 463 N -0.89 3.23 -0.75 -1.71 0.04 -1.25 -4.11 135.00 129.56 3cia s PRO 463 Ca 0.22 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.70 3cia s PRO 463 Cb -0.13 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3cia s PRO 463 CO -0.09 -0.92 0.00 0.09 0.04 0.00 0.00 177.00 176.12 3cia n ASN 464 N -1.74 -3.89 -0.09 6.66 4.13 -1.26 -4.88 115.26 114.20 3cia n ASN 464 Ca 0.10 0.17 -0.15 0.00 1.68 0.00 0.00 54.58 56.39 3cia n ASN 464 Cb 0.52 -2.01 -0.05 0.00 -1.54 0.00 0.00 39.78 36.70 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 -2.78 1.38 -4.95 2.41 -0.00 -1.26 -4.99 119.36 109.17 3cia n ILE 465 Ca -0.07 -0.03 -0.32 0.00 -0.00 0.00 0.00 62.75 62.33 3cia n ILE 465 Cb 0.24 -2.05 -0.15 0.00 -0.00 0.00 0.00 39.64 37.68 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 -2.61 2.75 -0.04 1.39 1.01 -1.26 -5.11 120.40 116.51 3cia s VAL 466 Ca -0.28 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 60.87 3cia s VAL 466 Cb 0.07 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3cia s VAL 466 CO 0.38 0.55 0.16 -0.94 0.00 0.00 0.00 175.10 175.25 3cia s SER 467 N 0.00 6.30 0.00 3.32 1.04 -1.26 -4.91 113.70 118.20 3cia s SER 467 Ca -0.05 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.74 3cia s SER 467 Cb -0.15 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 63.99 3cia s SER 467 CO 0.05 0.31 0.41 0.47 0.98 0.00 0.00 173.24 175.45 3cia n ASP 468 N 1.30 0.00 -0.01 7.02 10.43 -1.26 0.15 116.55 134.17 3cia n ASP 468 Ca -0.14 0.07 -0.08 0.00 2.57 0.00 0.00 54.79 57.22 3cia n ASP 468 Cb 0.53 -0.07 -0.13 0.00 1.84 0.00 0.00 41.12 43.29 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 0.00 1.23 -2.24 4.21 -1.98 -2.17 115.58 114.62 3cia h ASN 469 Ca 0.00 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.36 3cia h ASN 469 Cb 0.13 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.31 3cia h ASN 469 CO 0.00 0.96 -0.78 -0.33 -1.29 0.00 0.00 177.43 175.99 3cia h GLU 470 N 0.00 0.00 0.13 0.81 5.08 0.92 -1.92 114.58 119.60 3cia h GLU 470 Ca -0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 3cia h GLU 470 Cb 1.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.21 3cia h GLU 470 CO 0.08 0.67 -0.06 0.82 -1.00 0.00 0.00 179.01 179.52 3cia h ILE 471 N 0.00 0.88 -0.58 3.13 2.04 -1.51 -1.94 117.51 119.52 3cia h ILE 471 Ca -0.03 -1.23 0.06 0.00 1.00 0.00 0.00 64.86 64.67 3cia h ILE 471 Cb 1.56 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 39.11 3cia h ILE 471 CO 0.09 0.24 0.39 0.78 0.00 0.00 0.00 178.15 179.65 3cia h ASN 472 N -0.88 0.49 -0.14 1.72 2.35 -1.48 -2.40 115.58 115.24 3cia h ASN 472 Ca -0.02 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 3cia h ASN 472 Cb 0.53 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 3cia h ASN 472 CO 0.03 0.32 -0.16 -0.08 -1.65 0.00 0.00 177.43 175.89 3cia h GLU 473 N 0.56 0.36 -0.32 0.81 4.57 -1.39 -1.45 114.58 117.71 3cia h GLU 473 Ca 0.25 -0.20 0.05 0.00 -1.18 0.00 0.00 59.36 58.29 3cia h GLU 473 Cb 0.28 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.84 3cia h GLU 473 CO -0.07 0.76 0.03 -1.49 -1.18 0.00 0.00 179.01 177.06 3cia h TRP 474 N -0.03 0.04 0.00 0.92 4.06 -0.90 -2.94 115.95 117.10 3cia h TRP 474 Ca 0.02 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.99 3cia h TRP 474 Cb 0.71 0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.90 3cia h TRP 474 CO 0.09 -0.02 -1.21 0.44 -3.56 0.00 0.00 178.44 174.18 3cia n ILE 475 N -5.13 0.37 -0.03 1.49 -5.35 -0.95 -4.56 119.36 105.20 3cia n ILE 475 Ca 0.00 -0.46 0.01 0.00 -0.27 0.00 0.00 62.75 62.04 3cia n ILE 475 Cb 0.15 -0.13 -0.10 0.00 -1.74 0.00 0.00 39.64 37.82 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 -2.40 0.00 -3.67 4.28 3.72 -0.55 -0.66 117.46 118.18 3cia n PHE 476 Ca -0.00 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.13 3cia n PHE 476 Cb 0.52 -0.42 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 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 -2.64 3.52 0.92 -1.08 3.01 -1.11 -4.76 119.74 117.59 3cia s LYS 477 Ca -0.05 -0.35 -0.12 0.00 -1.01 0.00 0.00 55.97 54.43 3cia s LYS 477 Cb 0.06 -2.82 0.14 0.00 -1.01 0.00 0.00 37.83 34.21 3cia s LYS 477 CO 0.52 0.37 1.14 0.00 0.51 0.00 0.00 175.35 177.89 3cia s ALA 478 N -1.93 1.75 0.03 5.17 0.00 -1.26 -4.28 121.76 121.25 3cia s ALA 478 Ca 0.38 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.80 3cia s ALA 478 Cb -0.11 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.99 3cia s ALA 478 CO 0.30 -2.32 0.00 0.41 0.00 0.00 0.00 175.76 174.15 3cia n GLY 479 N -2.20 -0.46 3.91 0.00 0.00 -1.26 -4.85 105.19 100.34 3cia n GLY 479 Ca 0.07 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.95 118.68 119.22 3cia s LEU 480 Ca 0.00 0.38 0.07 0.00 -1.03 0.00 0.00 54.13 53.54 3cia s LEU 480 Cb 0.00 -3.08 0.40 0.00 0.03 0.00 0.00 46.19 43.54 3cia s LEU 480 CO 0.00 0.12 0.80 -2.65 0.23 0.00 0.00 176.35 174.86 3cia n PRO 481 N 0.17 0.33 0.00 1.29 -0.02 -1.26 -4.85 135.00 130.67 3cia n PRO 481 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3cia n PRO 481 Cb 0.51 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 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 -0.82 0.00 -0.44 2.55 3.41 -1.26 -4.33 113.62 112.73 3cia n SER 482 Ca 0.05 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.68 3cia n SER 482 Cb 0.02 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.29 -2.30 7.33 0.18 -1.26 -4.88 117.16 116.51 3cia n TYR 483 Ca 0.00 -0.12 -0.42 0.00 1.88 0.00 0.00 57.90 59.23 3cia n TYR 483 Cb 0.00 -0.05 -0.03 0.00 -0.38 0.00 0.00 39.34 38.88 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 -1.67 3.53 0.25 -3.48 0.00 -1.26 -4.94 121.76 114.18 3cia s ALA 484 Ca 0.11 0.84 -0.27 0.00 0.00 0.00 0.00 51.96 52.65 3cia s ALA 484 Cb 0.07 -3.54 -0.16 0.00 0.00 0.00 0.00 23.12 19.48 3cia s ALA 484 CO 0.06 -0.76 0.50 -2.30 0.00 0.00 0.00 175.76 173.26 3cia n PRO 485 N 4.91 0.13 -3.37 0.00 -0.02 -1.26 -4.93 135.00 130.47 3cia n PRO 485 Ca 0.12 0.05 -0.26 0.00 -2.02 0.00 0.00 63.50 61.39 3cia n PRO 485 Cb 0.45 -1.09 -0.09 0.00 -0.02 0.00 0.00 33.50 32.75 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 1.01 1.05 -1.49 -0.52 -0.06 -1.26 -4.99 117.38 111.12 3cia n GLN 486 Ca 0.16 -3.63 -0.48 0.00 -2.00 0.00 0.00 57.00 51.05 3cia n GLN 486 Cb 0.28 -1.65 -0.03 0.00 -4.06 0.00 0.00 30.24 24.78 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 1.74 0.57 -4.06 3.69 -0.02 -1.26 -4.96 135.00 130.69 3cia n PRO 487 Ca 0.25 0.20 -0.15 0.00 -2.02 0.00 0.00 63.50 61.78 3cia n PRO 487 Cb 0.47 -1.40 -0.15 0.00 -0.02 0.00 0.00 33.50 32.41 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 -0.87 0.29 -0.23 3.45 -1.32 -1.26 -4.35 115.64 111.34 3cia s THR 488 Ca 0.65 -0.13 0.02 0.00 -1.21 0.00 0.00 61.69 61.02 3cia s THR 488 Cb -0.87 -0.26 0.04 0.00 -1.51 0.00 0.00 72.50 69.90 3cia s THR 488 CO 0.57 0.10 -0.13 -0.55 -2.21 0.00 0.00 174.62 172.39 3cia s SER 489 N 0.09 4.02 0.14 8.08 0.15 -1.26 -4.94 113.70 119.97 3cia s SER 489 Ca -0.01 -1.12 -0.27 0.00 0.70 0.00 0.00 55.95 55.26 3cia s SER 489 Cb -0.03 -1.54 -0.06 0.00 -1.71 0.00 0.00 66.02 62.68 3cia s SER 489 CO -0.00 -0.13 1.43 0.59 1.20 0.00 0.00 173.24 176.33 3cia n ASN 490 N 4.51 -0.92 -0.13 5.45 4.13 -1.26 -1.79 115.26 125.25 3cia n ASN 490 Ca -0.16 1.63 0.24 0.00 1.68 0.00 0.00 54.58 57.97 3cia n ASN 490 Cb 0.45 -0.25 0.68 0.00 -1.54 0.00 0.00 39.78 39.13 3cia n ASN 490 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3cia h ALA 491 N 0.34 2.64 0.00 5.41 0.00 -1.97 1.04 119.26 126.71 3cia h ALA 491 Ca 0.14 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3cia h ALA 491 Cb 0.35 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3cia h ALA 491 CO -0.81 -0.86 -0.29 0.74 0.00 0.00 0.00 179.25 178.02 3cia h PHE 492 N 0.06 0.00 0.00 0.00 -1.00 -1.77 -3.29 116.94 110.94 3cia h PHE 492 Ca 0.37 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 61.00 3cia h PHE 492 Cb 1.40 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.93 3cia h PHE 492 CO -0.00 0.29 -1.66 1.17 -1.61 0.00 0.00 178.31 176.50 3cia n LYS 493 N -3.56 1.95 -0.10 1.51 4.81 0.34 -1.84 118.16 121.26 3cia n LYS 493 Ca -0.01 -0.02 0.26 0.00 -0.87 0.00 0.00 58.31 57.67 3cia n LYS 493 Cb 0.43 -1.26 0.66 0.00 0.02 0.00 0.00 35.03 34.88 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 0.25 0.10 3.15 2.07 -1.13 -2.81 116.25 117.88 3cia h VAL 494 Ca -0.22 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.02 3cia h VAL 494 Cb 1.41 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3cia h VAL 494 CO 0.01 0.00 -1.44 0.40 0.02 0.00 0.00 177.57 176.56 3cia h ILE 495 N 0.00 0.97 -1.33 4.57 2.04 -1.48 -2.94 117.51 119.34 3cia h ILE 495 Ca 0.37 -2.36 0.47 0.00 1.00 0.00 0.00 64.86 64.34 3cia h ILE 495 Cb 1.92 2.63 -0.14 0.00 -0.74 0.00 0.00 36.82 40.49 3cia h ILE 495 CO -0.00 0.67 0.84 0.47 0.00 0.00 0.00 178.15 180.13 3cia n ASP 496 N -3.95 0.22 -0.07 1.72 8.00 -0.77 0.53 116.55 122.23 3cia n ASP 496 Ca -0.27 1.38 -0.16 0.00 0.71 0.00 0.00 54.79 56.45 3cia n ASP 496 Cb 0.88 -0.68 -0.13 0.00 -0.02 0.00 0.00 41.12 41.17 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 0.03 -0.97 -1.24 6.56 -1.54 -3.30 116.57 116.11 3cia h LYS 497 Ca 0.86 -0.05 0.12 0.00 -1.06 0.00 0.00 60.65 60.53 3cia h LYS 497 Cb 2.74 0.02 -0.08 0.00 -0.57 0.00 0.00 32.23 34.34 3cia h LYS 497 CO -0.48 1.02 0.61 1.96 -2.06 0.00 0.00 179.45 180.50 3cia h GLN 498 N -0.94 0.89 0.00 3.15 4.20 -1.12 -2.73 115.11 118.57 3cia h GLN 498 Ca -0.10 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.56 3cia h GLN 498 Cb 1.14 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.71 3cia h GLN 498 CO -0.04 0.59 0.17 0.44 -0.67 0.00 0.00 178.83 179.33 3cia n ILE 499 N -4.59 1.11 -2.95 2.54 -5.35 0.19 -3.84 119.36 106.47 3cia n ILE 499 Ca 0.18 0.61 -0.44 0.00 -0.27 0.00 0.00 62.75 62.83 3cia n ILE 499 Cb 0.37 -1.61 -0.01 0.00 -1.74 0.00 0.00 39.64 36.65 3cia n ILE 499 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 3cia s ASN 500 N -3.13 6.96 -0.64 7.28 0.02 -1.03 -4.55 114.94 119.85 3cia s ASN 500 Ca -0.01 -2.76 0.03 0.00 -1.02 0.00 0.00 52.86 49.10 3cia s ASN 500 Cb 0.02 -2.40 0.37 0.00 0.02 0.00 0.00 41.25 39.26 3cia s ASN 500 CO 0.07 -0.82 1.29 0.00 0.02 0.00 0.00 177.10 177.65 3cia n GLN 501 N 5.84 3.57 0.00 -0.60 6.02 -1.25 -4.80 117.38 126.16 3cia n GLN 501 Ca 0.33 -4.53 0.00 0.00 -0.01 0.00 0.00 57.00 52.79 3cia n GLN 501 Cb 0.44 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 29.42 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 -0.34 0.00 -1.30 1.08 4.77 -1.21 -0.71 117.00 119.29 3cia n LEU 502 Ca 0.39 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.32 3cia n LEU 502 Cb 0.44 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.62 3cia n LEU 502 CO 0.39 0.00 0.68 1.33 -1.33 0.00 0.00 177.39 178.46 3cia n VAL 503 N 0.00 1.54 -0.29 4.08 0.24 -1.26 -4.81 118.33 117.82 3cia n VAL 503 Ca 0.00 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 3cia n VAL 503 Cb 0.00 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 31.69 3cia n VAL 503 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3cia n THR 504 N 0.01 -0.52 -1.23 3.34 -2.24 0.12 -4.56 114.28 109.20 3cia n THR 504 Ca 0.18 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.88 3cia n THR 504 Cb 0.82 -0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 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 -5.47 -3.54 3.42 10.43 -1.21 -4.89 116.55 115.28 3cia n ASP 505 Ca 0.00 0.20 -0.41 0.00 2.57 0.00 0.00 54.79 57.15 3cia n ASP 505 Cb 0.00 -3.66 -0.01 0.00 1.84 0.00 0.00 41.12 39.28 3cia n ASP 505 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3cia n GLU 506 N -0.75 3.50 0.00 -1.24 -0.58 -1.03 -4.12 120.64 116.42 3cia n GLU 506 Ca -0.08 -2.64 0.00 0.00 -0.42 0.00 0.00 57.16 54.02 3cia n GLU 506 Cb 0.51 -2.97 0.00 0.00 -0.57 0.00 0.00 31.44 28.41 3cia n GLU 506 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3cia n LEU 507 N 4.30 0.00 -4.87 -4.62 0.00 -1.26 -3.32 117.00 107.22 3cia n LEU 507 Ca 0.63 0.00 -0.36 0.00 0.00 0.00 0.00 56.01 56.28 3cia n LEU 507 Cb 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.67 3cia n LEU 507 CO 0.85 0.00 -0.04 -0.89 0.00 0.00 0.00 177.39 177.31 3cia s THR 508 N 0.00 5.28 0.00 1.96 2.01 -1.26 -5.08 115.64 118.55 3cia s THR 508 Ca 0.00 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.31 3cia s THR 508 Cb 0.00 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.95 3cia s THR 508 CO 0.00 0.44 0.00 -0.11 -0.69 0.00 0.00 174.62 174.26 3cia n LEU 509 N 1.37 0.00 0.00 4.42 7.94 -1.26 -4.13 117.00 125.34 3cia n LEU 509 Ca -0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 3cia n LEU 509 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 3cia n LEU 509 CO 0.39 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.88 3cia n GLU 510 N 0.00 1.68 -0.08 1.96 4.07 -1.26 -4.80 120.64 122.20 3cia n GLU 510 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3cia n GLU 510 Cb 0.00 -0.14 0.00 0.00 -0.06 0.00 0.00 31.44 31.24 3cia n GLU 510 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3cia n GLN 511 N 0.00 0.00 -3.00 5.31 6.02 -1.26 -4.74 117.38 119.71 3cia n GLN 511 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 3cia n GLN 511 Cb 0.00 -0.34 0.07 0.00 1.02 0.00 0.00 30.24 30.99 3cia n GLN 511 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3cia s LEU 512 N 0.00 3.03 0.00 1.08 1.43 -1.26 -5.02 118.68 117.94 3cia s LEU 512 Ca 0.00 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.24 3cia s LEU 512 Cb 0.00 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.68 3cia s LEU 512 CO 0.00 -1.46 0.58 -2.65 0.23 0.00 0.00 176.35 173.05 3cia n PRO 513 N -2.34 0.73 -0.23 1.29 -0.02 -1.26 -4.48 135.00 128.69 3cia n PRO 513 Ca 0.17 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.68 3cia n PRO 513 Cb 0.62 -1.23 0.14 0.00 -0.02 0.00 0.00 33.50 33.00 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 0.15 0.44 0.00 3.45 1.35 -1.96 0.66 112.91 117.01 3cia h THR 514 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 3cia h THR 514 Cb 0.58 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 3cia h THR 514 CO 0.00 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.30 3cia n ALA 515 N -2.83 1.47 -0.23 6.62 0.00 -1.26 -0.06 120.51 124.21 3cia n ALA 515 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3cia n ALA 515 Cb 0.42 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.79 0.94 -2.32 0.00 6.02 0.23 -5.04 117.38 116.41 3cia n GLN 516 Ca 0.00 -0.23 -0.42 0.00 -0.01 0.00 0.00 57.00 56.33 3cia n GLN 516 Cb 0.00 -0.68 -0.03 0.00 1.02 0.00 0.00 30.24 30.55 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 -0.20 2.80 0.71 1.08 0.52 0.91 -5.02 118.94 119.74 3cia s TRP 517 Ca 0.00 0.89 -0.11 0.00 0.02 0.00 0.00 56.10 56.89 3cia s TRP 517 Cb 0.00 -3.59 0.02 0.00 -1.15 0.00 0.00 33.47 28.75 3cia s TRP 517 CO 0.00 -2.12 1.10 0.95 0.02 0.00 0.00 176.95 176.90 3cia s THR 518 N 2.98 3.43 0.18 2.01 -4.23 -1.26 -4.85 115.64 113.91 3cia s THR 518 Ca 0.60 0.46 -0.16 0.00 -1.18 0.00 0.00 61.69 61.41 3cia s THR 518 Cb -0.27 -3.45 0.15 0.00 1.34 0.00 0.00 72.50 70.28 3cia s THR 518 CO 0.22 -0.61 1.64 0.25 -0.54 0.00 0.00 174.62 175.58 3cia h LEU 519 N -0.68 -0.53 -1.82 4.79 7.12 -1.97 1.21 115.31 123.44 3cia h LEU 519 Ca -0.45 0.15 0.19 0.00 0.13 0.00 0.00 57.88 57.91 3cia h LEU 519 Cb 1.26 0.33 -0.04 0.00 -0.53 0.00 0.00 40.66 41.68 3cia h LEU 519 CO 0.64 -0.18 0.53 0.45 -0.13 0.00 0.00 178.44 179.74 3cia h HIS 520 N -0.03 0.20 0.00 1.25 -0.00 -1.93 -1.47 115.15 113.17 3cia h HIS 520 Ca 0.24 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 3cia h HIS 520 Cb 0.39 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.74 3cia h HIS 520 CO -0.44 0.06 0.00 0.39 -0.00 0.00 0.00 177.93 177.95 3cia n GLU 521 N -4.39 0.04 -0.02 2.45 1.02 0.41 -3.38 120.64 116.78 3cia n GLU 521 Ca 0.15 0.12 0.04 0.00 -0.02 0.00 0.00 57.16 57.45 3cia n GLU 521 Cb 0.72 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.53 3cia n GLU 521 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3cia n TRP 522 N -1.47 0.00 0.02 -0.32 7.02 -0.57 -3.49 117.44 118.64 3cia n TRP 522 Ca 0.06 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.32 3cia n TRP 522 Cb 0.24 -0.39 -0.14 0.00 -2.42 0.00 0.00 31.31 28.60 3cia n TRP 522 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3cia h LEU 523 N 0.00 0.45 -0.93 -0.99 3.38 -1.54 -0.96 115.31 114.73 3cia h LEU 523 Ca -0.08 -0.90 0.15 0.00 0.09 0.00 0.00 57.88 57.15 3cia h LEU 523 Cb 0.90 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.41 3cia h LEU 523 CO 0.00 1.74 0.53 -0.74 0.09 0.00 0.00 178.44 180.07 3cia h HIS 524 N -0.09 0.93 0.56 1.13 2.76 -1.75 0.29 115.15 118.98 3cia h HIS 524 Ca -0.36 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 57.82 3cia h HIS 524 Cb 1.93 -0.28 0.01 0.00 1.55 0.00 0.00 27.41 30.62 3cia h HIS 524 CO 0.10 0.25 -0.27 0.35 -1.30 0.00 0.00 177.93 177.07 3cia h PHE 525 N 0.74 -0.70 -0.76 5.26 3.04 -1.59 -2.18 116.94 120.75 3cia h PHE 525 Ca 0.50 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.43 3cia h PHE 525 Cb 0.69 0.23 -0.04 0.00 2.56 0.00 0.00 35.95 39.40 3cia h PHE 525 CO -0.05 -0.37 0.43 0.82 -2.02 0.00 0.00 178.31 177.12 3cia h ILE 526 N -0.95 1.22 0.00 1.41 2.04 -1.00 -2.67 117.51 117.55 3cia h ILE 526 Ca -0.08 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3cia h ILE 526 Cb 0.64 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3cia h ILE 526 CO 0.13 0.25 -1.36 0.59 0.00 0.00 0.00 178.15 177.75 3cia n ASN 527 N -4.36 0.48 -1.34 1.72 4.13 0.10 -3.41 115.26 112.57 3cia n ASN 527 Ca 0.08 -0.05 0.12 0.00 1.68 0.00 0.00 54.58 56.41 3cia n ASN 527 Cb 0.09 1.14 0.31 0.00 -1.54 0.00 0.00 39.78 39.79 3cia n ASN 527 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3cia n ASN 528 N -2.22 3.91 -4.78 6.41 3.02 -0.82 -4.92 115.26 115.86 3cia n ASN 528 Ca -0.01 -2.00 -0.37 0.00 -0.03 0.00 0.00 54.58 52.18 3cia n ASN 528 Cb 0.51 -0.46 -0.04 0.00 -0.61 0.00 0.00 39.78 39.17 3cia n ASN 528 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3cia s LEU 529 N -1.08 4.20 0.27 3.41 1.43 -1.01 -4.98 118.68 120.92 3cia s LEU 529 Ca 0.48 2.06 -0.30 0.00 -1.03 0.00 0.00 54.13 55.34 3cia s LEU 529 Cb 0.25 -4.11 -0.11 0.00 0.03 0.00 0.00 46.19 42.26 3cia s LEU 529 CO 0.34 -0.44 1.51 -2.84 0.23 0.00 0.00 176.35 175.15 3cia s PRO 530 N -2.35 4.20 0.00 1.29 0.02 -1.26 -4.86 135.00 132.04 3cia s PRO 530 Ca 0.56 2.42 0.00 0.00 0.02 0.00 0.00 61.00 64.00 3cia s PRO 530 Cb -0.23 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.22 3cia s PRO 530 CO 0.29 -0.51 0.37 0.28 -0.33 0.00 0.00 177.00 177.10 3cia n VAL 531 N 2.29 0.00 -2.57 3.83 0.31 -1.26 -5.00 118.33 115.93 3cia n VAL 531 Ca 0.07 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.25 3cia n VAL 531 Cb 0.39 -0.31 0.02 0.00 -0.91 0.00 0.00 33.84 33.03 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 0.08 2.86 0.00 4.52 10.43 -1.26 -4.12 116.55 129.06 3cia n ASP 532 Ca 0.00 -3.07 0.00 0.00 2.57 0.00 0.00 54.79 54.29 3cia n ASP 532 Cb 0.14 -0.49 0.00 0.00 1.84 0.00 0.00 41.12 42.62 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 -0.05 2.53 0.31 -1.26 -5.07 118.33 114.48 3cia n VAL 539 Ca 0.22 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.46 3cia n VAL 539 Cb 0.77 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.68 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 0.16 -0.90 0.00 4.52 4.21 -2.03 1.55 115.58 123.08 3cia h ASN 540 Ca 0.00 0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.66 3cia h ASN 540 Cb 0.00 0.41 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 3cia h ASN 540 CO 0.00 -0.31 0.00 0.18 -1.29 0.00 0.00 177.43 176.01 3cia n LEU 541 N -5.40 0.00 -0.21 1.61 4.77 -1.26 -1.25 117.00 115.26 3cia n LEU 541 Ca -0.01 0.94 0.02 0.00 -0.03 0.00 0.00 56.01 56.93 3cia n LEU 541 Cb 0.31 -0.44 0.12 0.00 -2.33 0.00 0.00 43.42 41.08 3cia n LEU 541 CO 0.13 -0.44 0.90 -0.78 -1.33 0.00 0.00 177.39 175.87 3cia h ASP 542 N 0.00 -0.06 0.62 -1.43 3.58 -1.94 -0.43 116.42 116.76 3cia h ASP 542 Ca 0.00 0.13 -0.12 0.00 0.42 0.00 0.00 57.03 57.46 3cia h ASP 542 Cb 0.00 0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 3cia h ASP 542 CO 0.00 -0.03 -0.57 0.50 -2.88 0.00 0.00 179.24 176.26 3cia h LYS 543 N 0.23 0.00 0.49 0.28 1.63 0.22 1.10 116.57 120.51 3cia h LYS 543 Ca 0.34 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.11 3cia h LYS 543 Cb 0.53 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 3cia h LYS 543 CO -0.46 0.57 -0.23 0.00 -3.45 0.00 0.00 179.45 175.88 3cia h ALA 544 N 1.43 -0.66 0.00 5.00 0.00 -0.46 -3.38 119.26 121.19 3cia h ALA 544 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3cia h ALA 544 Cb 1.03 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3cia h ALA 544 CO 0.07 -0.62 -1.10 1.19 0.00 0.00 0.00 179.25 178.80 3cia n PHE 545 N -5.15 0.39 -3.32 0.00 3.72 -0.24 -5.03 117.46 107.84 3cia n PHE 545 Ca -0.08 0.11 -0.17 0.00 -0.05 0.00 0.00 57.45 57.26 3cia n PHE 545 Cb 0.26 -0.56 0.01 0.00 -0.94 0.00 0.00 39.48 38.25 3cia n PHE 545 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3cia n ASP 546 N -2.14 -6.50 0.02 4.37 -0.08 0.38 -4.88 116.55 107.72 3cia n ASP 546 Ca 0.01 -0.21 0.13 0.00 -1.51 0.00 0.00 54.79 53.21 3cia n ASP 546 Cb 0.47 -3.50 0.42 0.00 2.34 0.00 0.00 41.12 40.85 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 -1.35 0.34 0.20 -2.67 4.32 -1.26 -3.41 117.00 113.17 3cia n LEU 547 Ca -0.08 0.31 -0.13 0.00 -0.02 0.00 0.00 56.01 56.08 3cia n LEU 547 Cb 0.59 -0.36 -0.08 0.00 -1.62 0.00 0.00 43.42 41.95 3cia n LEU 547 CO 0.56 0.01 0.49 0.74 -1.22 0.00 0.00 177.39 177.98 3cia h THR 548 N 0.00 0.52 -0.40 -5.08 2.02 -1.89 -3.11 112.91 104.96 3cia h THR 548 Ca 0.00 -0.54 -0.11 0.00 0.77 0.00 0.00 66.41 66.54 3cia h THR 548 Cb 0.56 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 3cia h THR 548 CO 0.00 0.09 0.13 0.59 0.37 0.00 0.00 175.52 176.70 3cia n ASN 549 N -5.19 3.55 -4.68 4.18 5.03 -1.25 -4.92 115.26 111.98 3cia n ASN 549 Ca -0.10 -2.65 -0.45 0.00 0.87 0.00 0.00 54.58 52.25 3cia n ASN 549 Cb 0.28 -0.63 -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 0.07 2.97 0.00 6.41 3.41 -1.18 -4.95 113.62 120.35 3cia n SER 550 Ca 0.22 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.96 3cia n SER 550 Cb 0.91 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 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 2.49 0.00 -4.64 4.04 2.88 -1.26 -4.57 113.62 112.55 3cia n SER 551 Ca 0.13 0.74 -0.54 0.00 -1.33 0.00 0.00 58.87 57.87 3cia n SER 551 Cb 0.31 -0.33 -0.06 0.00 -0.75 0.00 0.00 64.21 63.38 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 -1.50 2.03 -0.29 -3.46 2.85 -1.26 -4.85 115.26 108.79 3cia n ASN 552 Ca 0.00 1.10 -0.04 0.00 -0.11 0.00 0.00 54.58 55.52 3cia n ASN 552 Cb 0.00 -1.18 0.10 0.00 1.24 0.00 0.00 39.78 39.94 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 5.77 1.14 -0.45 5.20 0.00 -1.83 -2.65 119.26 126.45 3cia h ALA 553 Ca -0.47 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.34 3cia h ALA 553 Cb 1.32 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 3cia h ALA 553 CO 0.86 0.65 0.10 0.93 0.00 0.00 0.00 179.25 181.78 3cia h GLU 554 N 1.16 0.23 0.53 0.00 4.39 -1.89 0.98 114.58 119.98 3cia h GLU 554 Ca 0.28 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.94 3cia h GLU 554 Cb 0.13 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3cia h GLU 554 CO -0.03 0.15 -0.43 0.82 -1.16 0.00 0.00 179.01 178.36 3cia h ILE 555 N 0.23 0.00 -1.14 3.13 1.08 -1.89 -0.66 117.51 118.26 3cia h ILE 555 Ca 0.22 0.00 0.32 0.00 -0.39 0.00 0.00 64.86 65.01 3cia h ILE 555 Cb 0.27 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 33.95 3cia h ILE 555 CO -0.28 0.00 0.79 0.00 -0.69 0.00 0.00 178.15 177.97 3cia h ALA 556 N -1.13 2.76 0.42 1.87 0.00 -1.10 -0.86 119.26 121.22 3cia h ALA 556 Ca -0.07 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3cia h ALA 556 Cb 0.78 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3cia h ALA 556 CO 0.00 -1.14 -0.20 1.25 0.00 0.00 0.00 179.25 179.16 3cia h HIS 557 N 0.16 -0.53 -0.93 0.00 -0.00 0.55 -2.20 115.15 112.19 3cia h HIS 557 Ca 0.59 -0.01 0.22 0.00 -0.00 0.00 0.00 60.37 61.17 3cia h HIS 557 Cb 2.00 0.17 -0.07 0.00 -0.00 0.00 0.00 27.41 29.52 3cia h HIS 557 CO -0.00 -0.33 0.61 0.00 -0.00 0.00 0.00 177.93 178.21 3cia h ALA 558 N -1.15 2.23 0.81 5.26 0.00 -0.76 -0.67 119.26 124.98 3cia h ALA 558 Ca -0.06 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3cia h ALA 558 Cb 0.44 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3cia h ALA 558 CO 0.10 -0.54 -0.39 2.35 0.00 0.00 0.00 179.25 180.77 3cia h TRP 559 N 0.39 -1.01 -0.96 0.00 -0.00 -1.16 -1.99 115.95 111.23 3cia h TRP 559 Ca 0.49 -0.02 0.05 0.00 -0.00 0.00 0.00 58.89 59.41 3cia h TRP 559 Cb 1.25 0.33 -0.06 0.00 -0.00 0.00 0.00 29.16 30.68 3cia h TRP 559 CO -0.00 -0.63 0.63 1.88 -0.00 0.00 0.00 178.44 180.32 3cia h TYR 560 N -1.28 1.16 -0.07 2.65 0.05 -0.92 0.26 116.97 118.81 3cia h TYR 560 Ca -0.11 0.03 0.04 0.00 0.05 0.00 0.00 58.73 58.73 3cia h TYR 560 Cb 0.84 -0.38 -0.05 0.00 1.01 0.00 0.00 36.73 38.15 3cia h TYR 560 CO -0.00 0.63 -0.21 1.25 -1.05 0.00 0.00 178.16 178.79 3cia h LEU 561 N 1.16 -0.63 0.03 3.88 5.85 -1.17 -0.27 115.31 124.17 3cia h LEU 561 Ca 0.40 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 59.21 3cia h LEU 561 Cb 0.09 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3cia h LEU 561 CO -0.14 -0.27 -0.01 0.25 -0.34 0.00 0.00 178.44 177.93 3cia h LEU 562 N -0.30 -0.04 0.00 2.25 5.85 -0.99 -2.69 115.31 119.40 3cia h LEU 562 Ca 0.08 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3cia h LEU 562 Cb 0.41 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.45 3cia h LEU 562 CO -0.24 0.14 0.00 -1.20 -0.34 0.00 0.00 178.44 176.80 3cia n SER 563 N -5.03 0.00 -0.39 1.25 7.64 0.87 -1.08 113.62 116.88 3cia n SER 563 Ca -0.08 0.78 0.32 0.00 1.01 0.00 0.00 58.87 60.90 3cia n SER 563 Cb 0.12 -0.28 0.60 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.28 0.72 0.44 3.04 -1.17 0.85 116.25 120.42 3cia h VAL 564 Ca 0.00 -0.07 -0.04 0.00 -1.01 0.00 0.00 66.70 65.59 3cia h VAL 564 Cb 0.00 0.07 0.01 0.00 -2.01 0.00 0.00 31.29 29.35 3cia h VAL 564 CO 0.00 0.04 -0.35 0.03 -1.01 0.00 0.00 177.57 176.28 3cia h ARG 565 N 0.20 -0.94 0.00 4.17 3.08 -0.96 -2.25 114.38 117.69 3cia h ARG 565 Ca 0.73 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.84 3cia h ARG 565 Cb 2.17 0.21 0.00 0.00 0.08 0.00 0.00 29.97 32.43 3cia h ARG 565 CO -0.36 -0.62 0.00 0.00 -1.07 0.00 0.00 179.97 177.92 3cia n ALA 566 N -2.55 2.33 -3.37 0.04 0.00 -0.24 -4.89 120.51 111.84 3cia n ALA 566 Ca -0.12 -0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.08 3cia n ALA 566 Cb 0.38 -1.12 0.06 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.64 -6.31 -3.93 0.00 9.92 0.27 -4.90 116.55 110.95 3cia n ASP 567 Ca 0.05 -0.79 -0.43 0.00 -0.53 0.00 0.00 54.79 53.10 3cia n ASP 567 Cb 0.02 -4.70 0.01 0.00 -0.64 0.00 0.00 41.12 35.81 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 -3.48 2.36 0.01 1.24 9.36 0.47 -4.85 117.16 122.27 3cia n TYR 568 Ca -0.08 -2.59 0.18 0.00 3.32 0.00 0.00 57.90 58.73 3cia n TYR 568 Cb 0.61 -1.33 0.34 0.00 -0.63 0.00 0.00 39.34 38.33 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 5.28 0.00 -0.05 2.98 5.09 -1.91 -2.75 116.57 125.21 3cia h LYS 569 Ca 0.27 0.00 0.01 0.00 0.09 0.00 0.00 60.65 61.03 3cia h LYS 569 Cb 0.57 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.90 3cia h LYS 569 CO 1.35 0.00 0.05 1.49 -2.09 0.00 0.00 179.45 180.26 3cia h GLU 570 N 0.00 0.00 -0.53 0.07 4.57 -1.98 -2.63 114.58 114.07 3cia h GLU 570 Ca 0.28 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.46 3cia h GLU 570 Cb 2.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.95 3cia h GLU 570 CO -0.00 0.00 0.00 1.33 -1.18 0.00 0.00 179.01 179.16 3cia n VAL 571 N -3.92 0.89 -0.09 0.32 0.24 -1.04 -4.43 118.33 110.29 3cia n VAL 571 Ca -0.02 -0.66 -0.10 0.00 -2.04 0.00 0.00 64.34 61.52 3cia n VAL 571 Cb 0.15 0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.60 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 2.55 0.46 0.12 6.34 -1.99 -1.71 -2.12 116.97 120.61 3cia h TYR 572 Ca 0.00 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 3cia h TYR 572 Cb 0.82 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.41 3cia h TYR 572 CO 0.40 0.47 -0.06 -1.00 -0.00 0.00 0.00 178.16 177.97 3cia h PRO 573 N 0.31 -0.15 -0.55 4.88 0.13 -1.84 0.71 132.00 135.49 3cia h PRO 573 Ca 0.10 0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.27 3cia h PRO 573 Cb 0.22 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.35 3cia h PRO 573 CO -0.01 -0.01 0.37 0.00 -0.23 0.00 0.00 178.00 178.12 3cia h ALA 574 N 0.60 1.73 -0.14 -0.56 0.00 -1.87 -0.10 119.26 118.92 3cia h ALA 574 Ca -0.02 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3cia h ALA 574 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3cia h ALA 574 CO 0.03 0.21 -0.44 1.98 0.00 0.00 0.00 179.25 181.03 3cia h MET 575 N 0.63 0.35 0.89 0.00 -1.53 -1.14 -2.29 114.93 111.85 3cia h MET 575 Ca 0.22 -0.18 -0.04 0.00 -3.44 0.00 0.00 59.70 56.26 3cia h MET 575 Cb 0.10 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.16 3cia h MET 575 CO -0.06 0.73 -0.43 0.00 0.14 0.00 0.00 176.91 177.29 3cia h ALA 576 N 1.25 -1.20 -0.84 0.39 0.00 0.10 0.22 119.26 119.19 3cia h ALA 576 Ca 0.02 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.80 3cia h ALA 576 Cb 0.89 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 3cia h ALA 576 CO 0.07 -1.12 0.55 -0.22 0.00 0.00 0.00 179.25 178.53 3cia h LYS 577 N -1.30 0.65 -0.24 0.00 3.64 -1.48 0.55 116.57 118.39 3cia h LYS 577 Ca -0.12 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 3cia h LYS 577 Cb 0.92 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 3cia h LYS 577 CO 0.20 0.43 0.12 -0.92 -2.27 0.00 0.00 179.45 177.01 3cia h TYR 578 N 0.67 0.34 -0.63 1.91 3.20 -1.06 0.46 116.97 121.87 3cia h TYR 578 Ca 0.41 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.23 3cia h TYR 578 Cb 0.65 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 3cia h TYR 578 CO -0.00 0.31 0.25 -0.07 -1.64 0.00 0.00 178.16 177.02 3cia h LEU 579 N 0.26 0.86 -0.43 2.82 3.38 0.24 -2.24 115.31 120.19 3cia h LEU 579 Ca 0.08 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 57.71 3cia h LEU 579 Cb 0.10 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3cia h LEU 579 CO -0.01 0.79 -0.65 0.11 0.09 0.00 0.00 178.44 178.77 3cia h LYS 580 N 0.87 0.52 0.00 1.13 1.57 -0.61 -3.38 116.57 116.68 3cia h LYS 580 Ca 0.21 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3cia h LYS 580 Cb 0.20 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3cia h LYS 580 CO -0.02 1.00 0.00 0.43 -0.57 0.00 0.00 179.45 180.29 3cia n SER 581 N -3.91 0.00 -4.82 0.86 7.64 0.16 -4.74 113.62 108.81 3cia n SER 581 Ca -0.04 0.74 -0.35 0.00 1.01 0.00 0.00 58.87 60.23 3cia n SER 581 Cb 0.66 -0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 63.32 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 -1.97 4.58 -0.06 0.44 2.07 -0.85 -4.81 121.20 120.61 3cia s ILE 582 Ca 0.00 1.22 0.08 0.00 -1.41 0.00 0.00 60.65 60.54 3cia s ILE 582 Cb 0.00 -3.79 0.12 0.00 0.13 0.00 0.00 42.46 38.93 3cia s ILE 582 CO 0.00 0.08 1.04 0.61 -1.91 0.00 0.00 174.94 174.76 3cia n GLY 583 N 0.37 3.49 3.72 1.50 0.00 -1.11 -4.76 105.19 108.39 3cia n GLY 583 Ca -0.00 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.73 4.30 0.01 1.61 3.52 -1.22 -4.00 118.95 121.43 3cia s ARG 584 Ca 0.14 2.12 -0.07 0.00 -0.13 0.00 0.00 55.73 57.79 3cia s ARG 584 Cb 0.12 -3.24 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 3cia s ARG 584 CO 0.01 -0.47 0.92 0.00 -0.81 0.00 0.00 175.30 174.95 3cia h ARG 585 N 6.82 -0.26 -2.80 5.12 3.08 0.58 -3.13 114.38 123.80 3cia h ARG 585 Ca -0.42 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3cia h ARG 585 Cb 1.21 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.32 3cia h ARG 585 CO 0.87 -0.17 0.37 1.17 -1.07 0.00 0.00 179.97 181.14 3cia n LYS 586 N -2.84 0.00 0.00 0.04 4.81 -1.26 0.06 118.16 118.97 3cia n LYS 586 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 3cia n LYS 586 Cb 0.10 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 33.74 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 2.68 0.00 0.00 3.14 7.94 -1.19 -4.97 117.00 124.60 3cia n LEU 587 Ca 0.00 -0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3cia n LEU 587 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3cia n LEU 587 CO 0.18 0.20 -0.09 2.30 -1.11 0.00 0.00 177.39 178.88 3cia n ILE 588 N 0.00 0.00 0.04 1.96 -5.35 0.82 -4.79 119.36 112.04 3cia n ILE 588 Ca 0.00 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.42 3cia n ILE 588 Cb 0.20 -0.15 -0.03 0.00 -1.74 0.00 0.00 39.64 37.92 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 -0.23 7.28 2.07 -0.61 0.21 116.25 124.97 3cia h VAL 589 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3cia h VAL 589 Cb 0.17 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3cia h VAL 589 CO 0.00 0.00 0.21 1.55 0.02 0.00 0.00 177.57 179.35 3cia h PRO 590 N -0.27 0.00 -0.10 1.57 0.13 -1.91 -0.86 132.00 130.56 3cia h PRO 590 Ca -0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3cia h PRO 590 Cb 0.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.40 3cia h PRO 590 CO -0.09 0.00 -0.06 1.25 -0.23 0.00 0.00 178.00 178.87 3cia h LEU 591 N 0.00 0.23 -2.07 1.56 5.85 -1.68 -2.22 115.31 116.98 3cia h LEU 591 Ca 0.11 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 3cia h LEU 591 Cb 0.52 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 3cia h LEU 591 CO -0.00 0.60 -0.09 1.88 -0.34 0.00 0.00 178.44 180.50 3cia h TYR 592 N -0.15 0.00 0.22 1.25 0.05 0.76 -1.04 116.97 118.06 3cia h TYR 592 Ca 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 3cia h TYR 592 Cb 0.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.26 3cia h TYR 592 CO 0.07 0.09 -0.11 0.87 -1.05 0.00 0.00 178.16 178.03 3cia h LYS 593 N 0.00 -0.29 -0.99 4.88 1.57 -1.14 0.54 116.57 121.14 3cia h LYS 593 Ca -0.00 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 58.98 3cia h LYS 593 Cb 0.24 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.51 3cia h LYS 593 CO 0.01 -0.19 0.59 0.93 -0.57 0.00 0.00 179.45 180.23 3cia h GLU 594 N -0.54 0.74 -0.18 3.15 4.39 -1.43 -1.68 114.58 119.03 3cia h GLU 594 Ca -0.03 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 3cia h GLU 594 Cb 0.23 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3cia h GLU 594 CO 0.05 0.49 0.09 1.25 -1.16 0.00 0.00 179.01 179.73 3cia h LEU 595 N 0.76 0.23 -6.08 1.33 5.85 -1.21 -3.20 115.31 112.98 3cia h LEU 595 Ca 0.56 -0.10 -0.74 0.00 0.84 0.00 0.00 57.88 58.44 3cia h LEU 595 Cb 0.86 -0.06 -0.13 0.00 0.37 0.00 0.00 40.66 41.70 3cia h LEU 595 CO -0.38 0.26 2.34 0.00 -0.34 0.00 0.00 178.44 180.32 3cia n ALA 596 N -2.19 5.95 -1.83 1.25 0.00 0.18 -1.25 120.51 122.61 3cia n ALA 596 Ca -0.04 -4.17 0.00 0.00 0.00 0.00 0.00 53.44 49.23 3cia n ALA 596 Cb 0.08 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 16.55 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 3.37 0.00 -3.41 0.00 5.02 -1.21 -4.86 118.16 117.07 3cia n LYS 597 Ca 0.50 -0.21 -0.16 0.00 -2.02 0.00 0.00 58.31 56.42 3cia n LYS 597 Cb 0.32 -0.15 -0.10 0.00 -0.02 0.00 0.00 35.03 35.08 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 -0.13 1.29 0.43 4.39 3.04 -1.25 -4.99 114.94 117.72 3cia s ASN 598 Ca 0.00 -0.45 0.35 0.00 0.04 0.00 0.00 52.86 52.80 3cia s ASN 598 Cb 0.00 0.62 1.38 0.00 -1.54 0.00 0.00 41.25 41.71 3cia s ASN 598 CO 0.00 -0.36 1.34 0.00 -3.04 0.00 0.00 177.10 175.04 3cia n ALA 599 N 5.32 1.39 0.02 1.71 0.00 -1.26 0.91 120.51 128.61 3cia n ALA 599 Ca -0.03 0.66 -0.19 0.00 0.00 0.00 0.00 53.44 53.88 3cia n ALA 599 Cb 0.48 -0.94 -0.11 0.00 0.00 0.00 0.00 19.45 18.87 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 0.49 0.03 0.00 4.81 -1.96 -2.99 114.58 114.96 3cia h GLU 600 Ca 0.78 -0.56 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3cia h GLU 600 Cb 2.83 0.16 0.00 0.00 0.63 0.00 0.00 28.75 32.37 3cia h GLU 600 CO -0.21 1.19 -0.01 1.03 -0.73 0.00 0.00 179.01 180.28 3cia h SER 601 N 0.03 -0.03 -0.11 1.04 0.87 -0.13 -3.20 113.55 112.02 3cia h SER 601 Ca -0.10 -0.54 0.03 0.00 -1.23 0.00 0.00 61.79 59.96 3cia h SER 601 Cb 1.48 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.44 3cia h SER 601 CO 0.15 0.53 0.54 0.50 -0.53 0.00 0.00 176.83 178.03 3cia h LYS 602 N -0.61 0.00 0.13 2.24 3.64 0.19 0.30 116.57 122.46 3cia h LYS 602 Ca -0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 3cia h LYS 602 Cb 0.56 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3cia h LYS 602 CO 0.01 0.00 -1.45 0.00 -2.27 0.00 0.00 179.45 175.73 3cia h ALA 603 N 1.02 0.21 -0.40 5.00 0.00 -1.52 -3.22 119.26 120.34 3cia h ALA 603 Ca 0.05 -1.04 0.04 0.00 0.00 0.00 0.00 54.91 53.97 3cia h ALA 603 Cb 1.14 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3cia h ALA 603 CO -0.00 1.08 0.27 2.35 0.00 0.00 0.00 179.25 182.95 3cia h TRP 604 N 0.07 0.36 0.20 0.00 7.01 -0.43 -2.86 115.95 120.30 3cia h TRP 604 Ca -0.21 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.78 3cia h TRP 604 Cb 2.01 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 28.95 3cia h TRP 604 CO 0.07 0.20 -0.09 0.00 -2.79 0.00 0.00 178.44 175.82 3cia h ALA 605 N 1.78 -1.03 -1.17 2.65 0.00 -1.54 -2.84 119.26 117.11 3cia h ALA 605 Ca 0.17 -0.06 0.41 0.00 0.00 0.00 0.00 54.91 55.43 3cia h ALA 605 Cb 0.22 0.10 -0.15 0.00 0.00 0.00 0.00 17.79 17.96 3cia h ALA 605 CO -0.04 -1.01 0.71 0.28 0.00 0.00 0.00 179.25 179.19 3cia h VAL 606 N -0.27 0.13 -0.33 0.00 2.07 -1.55 0.74 116.25 117.04 3cia h VAL 606 Ca -0.03 -0.04 -0.10 0.00 0.82 0.00 0.00 66.70 67.35 3cia h VAL 606 Cb 0.20 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 3cia h VAL 606 CO 0.04 0.02 -0.23 -0.33 0.02 0.00 0.00 177.57 177.10 3cia h GLU 607 N 0.12 0.64 0.14 1.57 4.39 -1.47 -2.04 114.58 117.93 3cia h GLU 607 Ca 0.81 -0.25 -0.32 0.00 0.34 0.00 0.00 59.36 59.95 3cia h GLU 607 Cb 2.29 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.90 3cia h GLU 607 CO -0.55 0.81 -1.62 -0.39 -1.16 0.00 0.00 179.01 176.10 3cia h VAL 608 N 0.56 0.92 0.00 3.13 -1.51 -0.42 -3.32 116.25 115.61 3cia h VAL 608 Ca 0.08 -2.41 0.00 0.00 -1.23 0.00 0.00 66.70 63.14 3cia h VAL 608 Cb 0.69 2.67 0.00 0.00 -2.13 0.00 0.00 31.29 32.52 3cia h VAL 608 CO 0.05 0.78 0.00 0.00 -1.23 0.00 0.00 177.57 177.17 3cia n TYR 609 N -3.76 0.00 0.66 5.19 9.36 0.23 0.46 117.16 129.30 3cia n TYR 609 Ca -0.26 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.07 3cia n TYR 609 Cb 0.97 -0.38 0.13 0.00 -0.63 0.00 0.00 39.34 39.43 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 -1.38 0.23 -0.11 2.98 4.01 -0.77 -2.09 118.16 121.03 3cia n LYS 610 Ca 0.00 0.04 -0.22 0.00 -0.51 0.00 0.00 58.31 57.62 3cia n LYS 610 Cb 0.01 -1.62 -0.12 0.00 -0.51 0.00 0.00 35.03 32.80 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 -1.94 0.64 0.06 1.97 1.13 0.17 -4.40 117.38 115.03 3cia n GLN 611 Ca 0.03 0.23 0.12 0.00 -1.94 0.00 0.00 57.00 55.45 3cia n GLN 611 Cb 0.42 -1.56 0.28 0.00 0.11 0.00 0.00 30.24 29.49 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 -3.50 2.76 0.05 -1.58 0.00 -0.09 -4.18 120.51 113.97 3cia n ALA 612 Ca -0.45 -0.18 -0.14 0.00 0.00 0.00 0.00 53.44 52.67 3cia n ALA 612 Cb 0.95 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.56 -6.42 0.00 1.12 -1.63 -3.28 114.38 103.61 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 0.70 0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.79 3cia h ARG 613 CO 0.00 -0.37 0.76 -1.25 -3.11 0.00 0.00 179.97 176.00 3cia s PRO 614 N -5.88 4.32 0.00 0.20 0.04 -1.26 -2.68 135.00 129.74 3cia s PRO 614 Ca -0.16 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.82 3cia s PRO 614 Cb 0.08 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 31.15 3cia s PRO 614 CO 0.63 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.59 3cia n GLY 615 N 3.53 2.84 3.72 0.56 0.00 -1.26 -5.04 105.19 109.54 3cia n GLY 615 Ca 0.12 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 3cia n GLY 615 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cia s TYR 616 N -0.28 2.01 0.55 1.61 2.02 -1.09 -4.81 117.35 117.36 3cia s TYR 616 Ca 0.00 1.53 -0.18 0.00 -0.37 0.00 0.00 57.07 58.05 3cia s TYR 616 Cb 0.00 -3.64 -0.06 0.00 -0.40 0.00 0.00 41.96 37.86 3cia s TYR 616 CO 0.00 -2.91 1.08 -1.58 -1.57 0.00 0.00 175.55 170.57 3cia s HIS 617 N -1.59 2.86 0.21 2.71 5.65 -1.25 -4.81 115.29 119.07 3cia s HIS 617 Ca 0.80 1.55 -0.11 0.00 0.25 0.00 0.00 55.06 57.55 3cia s HIS 617 Cb -0.35 -3.13 0.28 0.00 -1.18 0.00 0.00 32.58 28.20 3cia s HIS 617 CO 0.42 -1.22 1.66 0.78 -0.65 0.00 0.00 174.74 175.74 3cia h GLY 618 N 1.01 0.63 1.79 1.59 0.00 -1.95 -0.83 103.07 105.31 3cia h GLY 618 Ca -0.49 0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3cia h GLY 618 CO 0.57 -0.20 0.10 1.41 0.00 0.00 0.00 176.54 178.42 3cia h LEU 619 N 0.11 0.00 0.00 3.11 3.38 -1.91 -0.49 115.31 119.51 3cia h LEU 619 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3cia h LEU 619 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3cia h LEU 619 CO -0.53 0.00 -0.44 0.00 0.09 0.00 0.00 178.44 177.56 3cia n ALA 620 N -1.95 0.39 -0.33 1.53 0.00 -0.40 -3.92 120.51 115.83 3cia n ALA 620 Ca -0.02 -0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.06 3cia n ALA 620 Cb 0.15 0.01 0.11 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 -4.00 -0.11 -0.30 0.00 6.02 -0.69 0.09 117.38 118.40 3cia n GLN 621 Ca -0.06 1.39 -0.09 0.00 -0.01 0.00 0.00 57.00 58.22 3cia n GLN 621 Cb 0.23 -2.07 -0.06 0.00 1.02 0.00 0.00 30.24 29.36 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 -0.61 0.87 1.08 0.00 -1.30 1.11 103.07 104.21 3cia h GLY 622 Ca 0.40 0.67 -0.00 0.00 0.00 0.00 0.00 47.33 48.40 3cia h GLY 622 CO -0.91 -0.09 0.03 -0.84 0.00 0.00 0.00 176.54 174.73 3cia h THR 623 N -0.15 1.14 -0.11 4.70 2.02 -0.47 -2.84 112.91 117.19 3cia h THR 623 Ca 0.18 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 3cia h THR 623 Cb 0.52 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 3cia h THR 623 CO -0.81 0.12 -0.26 0.58 0.37 0.00 0.00 175.52 175.52 3cia h VAL 624 N -0.03 1.23 -0.02 3.16 2.07 -0.87 -2.31 116.25 119.50 3cia h VAL 624 Ca 0.03 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.45 3cia h VAL 624 Cb 0.16 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3cia h VAL 624 CO -0.00 0.33 0.03 0.44 0.02 0.00 0.00 177.57 178.39 3cia h ASP 625 N 0.18 0.00 0.02 0.57 3.32 0.15 -2.38 116.42 118.29 3cia h ASP 625 Ca 0.03 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.79 3cia h ASP 625 Cb 0.56 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 3cia h ASP 625 CO 0.04 0.00 -1.61 0.61 -1.72 0.00 0.00 179.24 176.56 3cia n GLY 626 N -1.24 -0.72 0.00 2.75 0.00 -0.89 -4.13 105.19 100.95 3cia n GLY 626 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.20 0.06 -1.66 1.61 0.24 -1.07 -1.97 118.33 111.34 3cia n VAL 627 Ca -0.36 0.02 -0.15 0.00 -2.04 0.00 0.00 64.34 61.81 3cia n VAL 627 Cb 0.79 -0.78 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 -1.03 4.82 0.00 1.34 7.94 -0.91 -4.73 117.00 124.43 3cia n LEU 628 Ca 0.11 -4.22 0.00 0.00 -1.11 0.00 0.00 56.01 50.78 3cia n LEU 628 Cb 0.06 -0.57 0.00 0.00 0.53 0.00 0.00 43.42 43.44 3cia n LEU 628 CO 0.09 1.62 0.00 1.17 -1.11 0.00 0.00 177.39 179.15