#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vca s VAL 27 N 0.00 4.97 0.47 1.61 -7.23 -1.10 -4.22 120.40 114.89 2vca s VAL 27 Ca 0.00 -1.05 -0.22 0.00 -1.81 0.00 0.00 61.98 58.90 2vca s VAL 27 Cb 0.00 -3.65 -0.08 0.00 0.56 0.00 0.00 36.38 33.21 2vca s VAL 27 CO 0.00 -0.26 1.09 -0.70 -0.31 0.00 0.00 175.10 174.91 2vca s GLU 28 N -3.70 3.81 -1.05 4.82 2.12 -1.26 -0.86 118.70 122.58 2vca s GLU 28 Ca 0.33 1.54 -0.09 0.00 0.36 0.00 0.00 54.97 57.11 2vca s GLU 28 Cb -0.09 -2.27 0.26 0.00 0.26 0.00 0.00 34.13 32.29 2vca s GLU 28 CO 0.27 -0.45 1.03 0.42 -0.54 0.00 0.00 175.26 175.99 2vca s ILE 29 N -1.76 5.84 -0.63 -3.70 1.01 0.36 -4.86 121.20 117.46 2vca s ILE 29 Ca 0.65 -3.29 0.16 0.00 0.00 0.00 0.00 60.65 58.17 2vca s ILE 29 Cb -0.22 -4.53 0.67 0.00 0.01 0.00 0.00 42.46 38.39 2vca s ILE 29 CO 0.27 -1.15 1.58 0.35 0.00 0.00 0.00 174.94 175.98 2vca n THR 30 N 2.89 2.13 -3.66 2.92 -2.24 -1.26 -4.82 114.28 110.24 2vca n THR 30 Ca 0.22 -1.41 -0.07 0.00 -2.27 0.00 0.00 64.05 60.53 2vca n THR 30 Cb 0.40 -0.04 -0.08 0.00 -2.10 0.00 0.00 70.33 68.51 2vca n THR 30 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2vca s GLU 31 N -2.26 0.49 0.00 -0.78 -6.30 -1.26 -4.95 118.70 103.64 2vca s GLU 31 Ca 0.47 1.14 0.00 0.00 -2.50 0.00 0.00 54.97 54.08 2vca s GLU 31 Cb 0.34 0.35 0.00 0.00 0.00 0.00 0.00 34.13 34.82 2vca s GLU 31 CO 0.18 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.67 2vca n GLY 32 N 4.92 0.99 3.55 -1.50 0.00 -1.26 -4.88 105.19 107.01 2vca n GLY 32 Ca -0.15 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 2vca n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vca s VAL 33 N -2.00 4.45 0.29 1.61 0.11 -1.26 -3.33 120.40 120.27 2vca s VAL 33 Ca 0.00 -0.15 0.06 0.00 -2.93 0.00 0.00 61.98 58.96 2vca s VAL 33 Cb 0.00 -3.01 -0.06 0.00 -1.53 0.00 0.00 36.38 31.78 2vca s VAL 33 CO 0.00 0.44 -0.02 0.42 -3.33 0.00 0.00 175.10 172.61 2vca s THR 34 N 0.68 1.48 -0.01 5.04 -4.23 -0.55 -4.99 115.64 113.06 2vca s THR 34 Ca 0.02 -2.08 -0.09 0.00 -1.18 0.00 0.00 61.69 58.37 2vca s THR 34 Cb -0.14 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.16 2vca s THR 34 CO 0.02 -0.21 0.18 0.54 -0.54 0.00 0.00 174.62 174.61 2vca s VAL 35 N -3.11 0.07 0.15 2.29 0.11 -1.26 -0.55 120.40 118.09 2vca s VAL 35 Ca 0.31 -0.55 0.06 0.00 -2.93 0.00 0.00 61.98 58.88 2vca s VAL 35 Cb 0.06 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 2vca s VAL 35 CO 0.13 -0.30 -0.14 0.42 -3.33 0.00 0.00 175.10 171.87 2vca s THR 36 N -1.16 1.46 0.11 5.04 -4.23 0.06 -4.69 115.64 112.23 2vca s THR 36 Ca -0.12 -1.89 -0.04 0.00 -1.18 0.00 0.00 61.69 58.46 2vca s THR 36 Cb -0.06 -1.72 -0.03 0.00 1.34 0.00 0.00 72.50 72.03 2vca s THR 36 CO 0.02 -0.48 0.10 0.00 -0.54 0.00 0.00 174.62 173.72 2vca s ALA 37 N -2.44 0.43 -2.36 3.99 0.00 -1.26 -1.05 121.76 119.07 2vca s ALA 37 Ca 0.13 -1.15 0.20 0.00 0.00 0.00 0.00 51.96 51.14 2vca s ALA 37 Cb -0.03 0.64 0.20 0.00 0.00 0.00 0.00 23.12 23.92 2vca s ALA 37 CO 0.04 -0.49 1.16 1.63 0.00 0.00 0.00 175.76 178.10 2vca n LYS 38 N -0.05 1.84 -3.58 0.00 5.02 -1.26 -4.96 118.16 115.16 2vca n LYS 38 Ca -0.10 -1.76 -0.09 0.00 -2.02 0.00 0.00 58.31 54.34 2vca n LYS 38 Cb 0.63 -1.39 -0.05 0.00 -0.02 0.00 0.00 35.03 34.20 2vca n LYS 38 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2vca s GLY 39 N -1.56 -0.24 -0.04 0.72 0.00 -1.26 -4.99 107.32 99.94 2vca s GLY 39 Ca 0.25 2.05 -0.29 0.00 0.00 0.00 0.00 44.72 46.73 2vca s GLY 39 CO 0.25 0.99 0.64 0.54 0.00 0.00 0.00 173.10 175.52 2vca s ASN 40 N -1.20 -0.61 0.42 1.64 4.22 -1.26 -4.24 114.94 113.91 2vca s ASN 40 Ca 0.00 0.65 -0.24 0.00 -2.14 0.00 0.00 52.86 51.14 2vca s ASN 40 Cb -0.01 0.52 -0.08 0.00 1.28 0.00 0.00 41.25 42.96 2vca s ASN 40 CO -0.00 -0.60 1.09 0.42 -2.04 0.00 0.00 177.10 175.96 2vca s THR 41 N -1.23 3.53 -0.30 0.54 -4.23 -0.51 -4.55 115.64 108.90 2vca s THR 41 Ca -0.11 1.16 -0.39 0.00 -1.18 0.00 0.00 61.69 61.17 2vca s THR 41 Cb -0.01 -3.59 -0.14 0.00 1.34 0.00 0.00 72.50 70.10 2vca s THR 41 CO 0.09 -0.01 1.89 1.21 -0.54 0.00 0.00 174.62 177.27 2vca n GLU 42 N -0.22 1.15 0.00 3.99 2.13 -1.26 0.02 120.64 126.44 2vca n GLU 42 Ca 0.06 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.27 2vca n GLU 42 Cb 0.49 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 30.00 2vca n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2vca n GLY 43 N 4.99 3.07 2.82 8.31 0.00 -1.26 -4.90 105.19 118.21 2vca n GLY 43 Ca 0.31 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.95 2vca n GLY 43 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2vca n ASN 44 N 0.00 6.05 -4.83 1.61 3.02 0.10 -4.98 115.26 116.23 2vca n ASN 44 Ca 0.00 -3.51 -0.31 0.00 -0.03 0.00 0.00 54.58 50.73 2vca n ASN 44 Cb 0.00 -1.09 0.02 0.00 -0.61 0.00 0.00 39.78 38.10 2vca n ASN 44 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2vca s THR 45 N -3.22 4.25 0.25 3.41 2.01 -1.26 -1.73 115.64 119.35 2vca s THR 45 Ca 0.36 0.82 -0.03 0.00 0.31 0.00 0.00 61.69 63.16 2vca s THR 45 Cb 0.12 -3.57 0.23 0.00 0.01 0.00 0.00 72.50 69.28 2vca s THR 45 CO 0.02 -0.87 1.74 0.00 -0.69 0.00 0.00 174.62 174.82 2vca h ALA 46 N -0.22 1.16 -0.09 7.40 0.00 -1.91 -1.58 119.26 124.02 2vca h ALA 46 Ca -0.45 0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.60 2vca h ALA 46 Cb 1.20 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2vca h ALA 46 CO 0.59 -0.17 0.20 0.38 0.00 0.00 0.00 179.25 180.25 2vca h ASP 47 N 0.51 0.00 0.69 0.00 3.04 -1.93 -0.18 116.42 118.55 2vca h ASP 47 Ca 0.44 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.23 2vca h ASP 47 Cb 0.66 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.95 2vca h ASP 47 CO -0.39 0.00 0.00 0.18 -2.04 0.00 0.00 179.24 176.99 2vca n LEU 48 N -3.35 0.06 0.23 0.15 4.77 -0.59 -2.02 117.00 116.25 2vca n LEU 48 Ca -0.00 0.51 0.14 0.00 -0.03 0.00 0.00 56.01 56.63 2vca n LEU 48 Cb 0.29 -0.50 0.39 0.00 -2.33 0.00 0.00 43.42 41.27 2vca n LEU 48 CO 0.21 -0.19 0.89 0.00 -1.33 0.00 0.00 177.39 176.97 2vca h ALA 49 N 2.64 1.00 0.00 -1.18 0.00 -1.18 -3.34 119.26 117.20 2vca h ALA 49 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2vca h ALA 49 Cb 0.35 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.01 2vca h ALA 49 CO 0.00 0.00 -0.60 0.44 0.00 0.00 0.00 179.25 179.09 2vca n ILE 50 N -3.02 1.14 0.20 0.00 -5.35 -0.86 -1.58 119.36 109.89 2vca n ILE 50 Ca 0.03 -1.93 0.11 0.00 -0.27 0.00 0.00 62.75 60.69 2vca n ILE 50 Cb 0.43 0.27 0.27 0.00 -1.74 0.00 0.00 39.64 38.87 2vca n ILE 50 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2vca n ASP 51 N -0.48 3.26 0.00 7.28 5.75 -1.17 -4.93 116.55 126.26 2vca n ASP 51 Ca 0.12 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 2vca n ASP 51 Cb 0.84 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 2vca n ASP 51 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vca n GLY 52 N 1.48 0.53 3.26 6.12 0.00 -1.26 -4.99 105.19 110.33 2vca n GLY 52 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 2vca n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2vca s ASP 53 N -2.37 4.44 0.28 1.61 -1.08 -1.26 -4.98 116.67 113.31 2vca s ASP 53 Ca 0.00 -0.71 0.25 0.00 -0.52 0.00 0.00 52.55 51.57 2vca s ASP 53 Cb 0.00 -1.72 0.99 0.00 -1.46 0.00 0.00 42.92 40.73 2vca s ASP 53 CO 0.00 -0.11 1.74 -0.07 0.52 0.00 0.00 175.17 177.25 2vca h LEU 54 N 8.08 0.00 -0.52 -1.34 4.07 -1.94 -3.06 115.31 120.60 2vca h LEU 54 Ca -0.35 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.61 2vca h LEU 54 Cb 1.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.87 2vca h LEU 54 CO 0.59 0.00 -0.31 -1.54 -1.08 0.00 0.00 178.44 176.10 2vca n SER 55 N -2.32 1.12 -4.44 -0.43 3.41 -1.26 -4.86 113.62 104.83 2vca n SER 55 Ca 0.02 -0.93 -0.30 0.00 -0.26 0.00 0.00 58.87 57.41 2vca n SER 55 Cb 0.26 0.20 -0.12 0.00 -0.26 0.00 0.00 64.21 64.29 2vca n SER 55 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2vca s THR 56 N -2.54 2.63 -0.11 6.66 -4.23 -1.16 -5.14 115.64 111.75 2vca s THR 56 Ca 0.22 -1.47 -0.12 0.00 -1.18 0.00 0.00 61.69 59.14 2vca s THR 56 Cb 0.19 -2.16 0.03 0.00 1.34 0.00 0.00 72.50 71.91 2vca s THR 56 CO 0.54 0.18 0.33 -0.72 -0.54 0.00 0.00 174.62 174.42 2vca s TYR 57 N -1.04 -0.35 0.46 3.99 1.13 -1.25 -4.53 117.35 115.76 2vca s TYR 57 Ca 0.16 0.82 -0.25 0.00 -1.41 0.00 0.00 57.07 56.39 2vca s TYR 57 Cb -0.10 0.12 -0.08 0.00 -1.10 0.00 0.00 41.96 40.80 2vca s TYR 57 CO 0.07 -0.20 1.44 1.87 -2.51 0.00 0.00 175.55 176.21 2vca n TRP 58 N 2.69 2.70 -3.84 -3.49 -0.00 -1.05 -4.21 117.44 110.24 2vca n TRP 58 Ca -0.14 0.44 -0.12 0.00 -0.00 0.00 0.00 57.50 57.67 2vca n TRP 58 Cb 0.57 -2.46 -0.13 0.00 -0.00 0.00 0.00 31.31 29.30 2vca n TRP 58 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 177.69 175.69 2vca s GLU 59 N -2.47 0.14 0.35 5.87 2.12 -0.71 -2.58 118.70 121.41 2vca s GLU 59 Ca 0.62 0.11 -0.25 0.00 0.36 0.00 0.00 54.97 55.81 2vca s GLU 59 Cb -0.45 0.07 -0.10 0.00 0.26 0.00 0.00 34.13 33.91 2vca s GLU 59 CO 0.57 -0.02 0.95 -1.54 -0.54 0.00 0.00 175.26 174.68 2vca s SER 60 N -0.03 7.24 -0.01 -1.70 1.04 -0.66 -1.42 113.70 118.16 2vca s SER 60 Ca -0.01 1.83 0.13 0.00 0.48 0.00 0.00 55.95 58.38 2vca s SER 60 Cb -0.01 -2.57 -0.18 0.00 0.10 0.00 0.00 66.02 63.35 2vca s SER 60 CO 0.00 -0.14 0.38 -1.54 0.98 0.00 0.00 173.24 172.92 2vca n SER 61 N 0.32 1.49 0.00 7.02 3.41 -1.26 -4.35 113.62 120.25 2vca n SER 61 Ca 0.03 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 2vca n SER 61 Cb 0.51 1.39 0.00 0.00 -0.26 0.00 0.00 64.21 65.84 2vca n SER 61 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2vca n ASN 62 N -1.72 0.00 -0.13 4.04 0.23 -1.26 -4.97 115.26 111.45 2vca n ASN 62 Ca -0.01 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 54.19 2vca n ASN 62 Cb 0.29 0.00 0.66 0.00 -2.08 0.00 0.00 39.78 38.65 2vca n ASN 62 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2vca n ASP 63 N 0.00 0.47 -4.55 0.53 8.00 -1.26 -4.31 116.55 115.43 2vca n ASP 63 Ca 0.00 -0.70 -0.42 0.00 0.71 0.00 0.00 54.79 54.38 2vca n ASP 63 Cb 0.00 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 2vca n ASP 63 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2vca s TYR 64 N -2.37 2.57 -0.33 1.24 2.02 -1.26 -4.90 117.35 114.32 2vca s TYR 64 Ca 0.32 0.16 0.07 0.00 -0.37 0.00 0.00 57.07 57.25 2vca s TYR 64 Cb 0.20 -4.44 0.47 0.00 -0.40 0.00 0.00 41.96 37.79 2vca s TYR 64 CO 0.45 -1.66 1.40 1.63 -1.57 0.00 0.00 175.55 175.79 2vca n LYS 65 N 8.43 2.58 -4.23 -0.62 4.76 -1.26 -4.66 118.16 123.15 2vca n LYS 65 Ca 0.05 -3.59 -0.20 0.00 -2.87 0.00 0.00 58.31 51.70 2vca n LYS 65 Cb 0.48 -2.02 -0.12 0.00 -1.84 0.00 0.00 35.03 31.53 2vca n LYS 65 CO 0.00 0.00 0.00 1.67 -1.37 0.00 0.00 177.40 177.70 2vca s TRP 66 N -3.46 1.45 0.19 2.13 1.48 -1.26 -1.57 118.94 117.91 2vca s TRP 66 Ca 0.49 -0.48 0.10 0.00 -1.06 0.00 0.00 56.10 55.15 2vca s TRP 66 Cb 0.42 -0.79 -0.04 0.00 -1.16 0.00 0.00 33.47 31.90 2vca s TRP 66 CO 0.00 0.14 -0.17 0.96 -4.06 0.00 0.00 176.95 173.82 2vca s ILE 67 N -1.57 2.74 -0.18 0.66 -4.36 -0.89 -4.45 121.20 113.14 2vca s ILE 67 Ca 0.05 -1.90 0.01 0.00 -0.26 0.00 0.00 60.65 58.55 2vca s ILE 67 Cb -0.08 -2.35 0.02 0.00 1.25 0.00 0.00 42.46 41.31 2vca s ILE 67 CO 0.03 -0.14 -0.19 -0.70 0.24 0.00 0.00 174.94 174.19 2vca s GLU 68 N -2.81 2.88 -0.23 0.37 2.12 -0.21 -1.97 118.70 118.84 2vca s GLU 68 Ca 0.23 -0.86 -0.08 0.00 0.36 0.00 0.00 54.97 54.62 2vca s GLU 68 Cb -0.08 -2.57 -0.04 0.00 0.26 0.00 0.00 34.13 31.70 2vca s GLU 68 CO 0.13 -0.24 0.10 0.08 -0.54 0.00 0.00 175.26 174.78 2vca s VAL 69 N 1.29 4.79 -0.10 3.70 1.01 0.54 -0.76 120.40 130.86 2vca s VAL 69 Ca 0.04 -0.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 2vca s VAL 69 Cb -0.14 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 2vca s VAL 69 CO -0.12 0.36 0.32 -0.62 0.00 0.00 0.00 175.10 175.05 2vca s ASP 70 N 1.14 6.56 0.00 3.32 2.15 0.29 -0.87 116.67 129.27 2vca s ASP 70 Ca 0.05 0.67 0.26 0.00 0.43 0.00 0.00 52.55 53.96 2vca s ASP 70 Cb -0.14 -2.20 0.60 0.00 -0.30 0.00 0.00 42.92 40.88 2vca s ASP 70 CO 0.04 0.20 1.48 0.18 -0.17 0.00 0.00 175.17 176.90 2vca n LEU 71 N 2.86 1.99 -0.96 -1.34 4.77 -0.52 -1.49 117.00 122.31 2vca n LEU 71 Ca -0.13 -0.66 -0.09 0.00 -0.03 0.00 0.00 56.01 55.10 2vca n LEU 71 Cb 0.52 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 2vca n LEU 71 CO 0.38 0.34 -0.11 0.61 -1.33 0.00 0.00 177.39 177.28 2vca n GLY 72 N 1.29 0.11 0.00 -0.72 0.00 -1.21 -4.55 105.19 100.11 2vca n GLY 72 Ca 0.15 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2vca n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vca n GLY 73 N -1.10 3.03 3.70 -0.02 0.00 -1.26 -5.05 105.19 104.50 2vca n GLY 73 Ca -0.10 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 44.05 2vca n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vca s ILE 74 N -2.00 5.05 0.04 -0.61 1.01 -0.56 -4.24 121.20 119.89 2vca s ILE 74 Ca 0.00 1.33 0.06 0.00 0.00 0.00 0.00 60.65 62.04 2vca s ILE 74 Cb 0.00 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 2vca s ILE 74 CO 0.00 0.22 -0.19 -0.31 0.00 0.00 0.00 174.94 174.67 2vca s TYR 75 N 1.06 1.63 -0.50 3.97 2.02 -0.12 -0.97 117.35 124.45 2vca s TYR 75 Ca 0.34 -0.36 -0.28 0.00 -0.37 0.00 0.00 57.07 56.40 2vca s TYR 75 Cb -0.17 -0.98 0.03 0.00 -0.40 0.00 0.00 41.96 40.44 2vca s TYR 75 CO 0.15 0.06 1.11 -1.21 -1.57 0.00 0.00 175.55 174.09 2vca s GLU 76 N -1.08 3.64 0.24 -0.62 2.02 0.23 -0.16 118.70 122.97 2vca s GLU 76 Ca 0.06 0.41 -0.28 0.00 0.02 0.00 0.00 54.97 55.18 2vca s GLU 76 Cb -0.08 -3.94 -0.09 0.00 0.10 0.00 0.00 34.13 30.12 2vca s GLU 76 CO 0.01 -1.42 0.90 -0.51 0.02 0.00 0.00 175.26 174.26 2vca s LEU 77 N 4.42 4.57 -0.02 1.80 1.43 0.11 -1.18 118.68 129.81 2vca s LEU 77 Ca 0.45 1.85 0.01 0.00 -1.03 0.00 0.00 54.13 55.41 2vca s LEU 77 Cb -0.08 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 2vca s LEU 77 CO 0.29 0.13 0.00 -1.54 0.23 0.00 0.00 176.35 175.46 2vca n SER 78 N 1.32 4.43 -3.80 2.29 3.41 -0.26 -1.19 113.62 119.82 2vca n SER 78 Ca -0.02 -0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.46 2vca n SER 78 Cb 0.48 0.43 -0.11 0.00 -0.26 0.00 0.00 64.21 64.75 2vca n SER 78 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2vca s LYS 79 N -2.04 0.39 -0.06 4.33 -0.14 -1.11 -1.96 119.74 119.15 2vca s LYS 79 Ca -0.01 0.11 0.02 0.00 -1.36 0.00 0.00 55.97 54.73 2vca s LYS 79 Cb 0.01 0.18 0.01 0.00 -1.68 0.00 0.00 37.83 36.35 2vca s LYS 79 CO 0.07 -0.08 -0.11 0.42 -0.76 0.00 0.00 175.35 174.89 2vca s ILE 80 N -0.42 1.01 -0.12 2.17 1.01 0.22 -1.07 121.20 123.99 2vca s ILE 80 Ca -0.05 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.20 2vca s ILE 80 Cb -0.03 -0.93 -0.00 0.00 0.01 0.00 0.00 42.46 41.50 2vca s ILE 80 CO 0.01 0.32 -0.19 -0.70 0.00 0.00 0.00 174.94 174.39 2vca s GLU 81 N 0.64 3.18 -0.10 2.79 2.12 0.25 -0.36 118.70 127.21 2vca s GLU 81 Ca -0.13 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.44 2vca s GLU 81 Cb -0.15 -2.47 0.01 0.00 0.26 0.00 0.00 34.13 31.78 2vca s GLU 81 CO 0.03 0.15 -0.19 0.42 -0.54 0.00 0.00 175.26 175.12 2vca s ILE 82 N 0.46 1.76 -0.06 -3.70 1.01 0.30 -0.84 121.20 120.14 2vca s ILE 82 Ca -0.13 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.73 2vca s ILE 82 Cb -0.17 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 2vca s ILE 82 CO 0.05 0.49 -0.14 -0.36 0.00 0.00 0.00 174.94 174.99 2vca s PHE 83 N 0.65 2.73 0.42 3.97 0.08 0.19 -0.64 117.98 125.39 2vca s PHE 83 Ca -0.13 -0.19 0.08 0.00 0.12 0.00 0.00 56.93 56.81 2vca s PHE 83 Cb -0.16 -1.66 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 2vca s PHE 83 CO 0.03 0.16 0.38 -0.80 -0.10 0.00 0.00 175.22 174.90 2vca s ASN 84 N -0.63 5.06 0.35 1.36 0.01 -1.26 -0.31 114.94 119.52 2vca s ASN 84 Ca 0.09 -0.75 0.24 0.00 -0.71 0.00 0.00 52.86 51.74 2vca s ASN 84 Cb -0.11 -0.56 0.56 0.00 0.41 0.00 0.00 41.25 41.55 2vca s ASN 84 CO 0.01 -0.66 1.69 0.07 -1.51 0.00 0.00 177.10 176.69 2vca h LYS 85 N 1.01 0.00 0.00 -0.60 2.10 -1.90 -3.42 116.57 113.76 2vca h LYS 85 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2vca h LYS 85 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2vca h LYS 85 CO 0.57 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.62 2vca n ASP 86 N -2.76 0.00 -1.21 7.07 5.68 -1.26 -5.07 116.55 119.00 2vca n ASP 86 Ca 0.05 -0.15 -0.03 0.00 -0.50 0.00 0.00 54.79 54.16 2vca n ASP 86 Cb 0.48 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.68 2vca n ASP 86 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2vca n GLU 87 N 0.00 2.25 -1.45 0.11 1.02 -1.26 -4.49 120.64 116.82 2vca n GLU 87 Ca 0.00 -3.07 -0.29 0.00 -0.02 0.00 0.00 57.16 53.78 2vca n GLU 87 Cb 0.00 -1.87 0.15 0.00 -0.02 0.00 0.00 31.44 29.69 2vca n GLU 87 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2vca s ALA 88 N -3.13 1.57 -0.27 0.62 0.00 -1.26 -4.19 121.76 115.11 2vca s ALA 88 Ca 0.45 -0.49 -0.21 0.00 0.00 0.00 0.00 51.96 51.72 2vca s ALA 88 Cb 0.40 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.45 2vca s ALA 88 CO 0.04 -2.42 0.67 0.08 0.00 0.00 0.00 175.76 174.13 2vca s VAL 89 N -3.20 4.93 0.01 0.00 1.01 -1.26 -1.63 120.40 120.26 2vca s VAL 89 Ca 0.64 1.12 0.04 0.00 0.00 0.00 0.00 61.98 63.78 2vca s VAL 89 Cb -0.16 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 2vca s VAL 89 CO 0.54 -0.07 -0.09 -0.31 0.00 0.00 0.00 175.10 175.18 2vca s TYR 90 N 2.63 2.83 -0.02 5.22 2.02 -1.26 -1.37 117.35 127.40 2vca s TYR 90 Ca 0.28 -0.08 0.03 0.00 -0.37 0.00 0.00 57.07 56.93 2vca s TYR 90 Cb -0.15 -1.58 -0.00 0.00 -0.40 0.00 0.00 41.96 39.82 2vca s TYR 90 CO 0.10 0.35 -0.12 0.15 -1.57 0.00 0.00 175.55 174.45 2vca s LYS 91 N -1.42 1.12 0.10 -0.62 1.02 -0.90 -4.82 119.74 114.22 2vca s LYS 91 Ca 0.17 -0.43 -0.21 0.00 0.02 0.00 0.00 55.97 55.51 2vca s LYS 91 Cb -0.11 -1.05 0.05 0.00 -0.52 0.00 0.00 37.83 36.21 2vca s LYS 91 CO 0.07 0.22 0.52 1.52 -0.92 0.00 0.00 175.35 176.76 2vca s TYR 92 N -0.09 -0.41 -0.04 3.18 -0.85 -0.50 -1.35 117.35 117.30 2vca s TYR 92 Ca 0.01 0.31 0.07 0.00 -0.52 0.00 0.00 57.07 56.93 2vca s TYR 92 Cb -0.07 0.39 -0.01 0.00 0.38 0.00 0.00 41.96 42.65 2vca s TYR 92 CO 0.00 -0.72 -0.23 -0.80 -1.52 0.00 0.00 175.55 172.28 2vca s ASN 93 N -2.38 2.81 -0.11 -0.18 0.01 0.06 -0.37 114.94 114.78 2vca s ASN 93 Ca -0.02 -0.45 0.02 0.00 -0.71 0.00 0.00 52.86 51.70 2vca s ASN 93 Cb -0.00 -0.53 -0.01 0.00 0.41 0.00 0.00 41.25 41.12 2vca s ASN 93 CO -0.07 0.26 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.97 2vca s ILE 94 N -0.35 2.64 0.12 0.60 1.01 0.12 -0.99 121.20 124.35 2vca s ILE 94 Ca 0.03 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 59.95 2vca s ILE 94 Cb -0.11 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 2vca s ILE 94 CO 0.01 0.54 -0.20 -0.31 0.00 0.00 0.00 174.94 174.98 2vca s TYR 95 N 0.28 1.79 0.07 3.97 2.02 0.26 -0.53 117.35 125.21 2vca s TYR 95 Ca -0.13 -0.43 0.04 0.00 -0.37 0.00 0.00 57.07 56.18 2vca s TYR 95 Cb -0.16 -0.96 -0.03 0.00 -0.40 0.00 0.00 41.96 40.41 2vca s TYR 95 CO 0.07 0.24 -0.11 0.00 -1.57 0.00 0.00 175.55 174.18 2vca s ALA 96 N -1.42 0.99 -0.03 3.71 0.00 0.72 -0.38 121.76 125.35 2vca s ALA 96 Ca 0.09 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.05 2vca s ALA 96 Cb -0.09 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.04 2vca s ALA 96 CO 0.05 0.04 -0.03 0.45 0.00 0.00 0.00 175.76 176.27 2vca s SER 97 N -1.97 0.67 -0.00 0.00 0.15 -0.43 -1.00 113.70 111.11 2vca s SER 97 Ca -0.01 -0.08 0.17 0.00 0.70 0.00 0.00 55.95 56.72 2vca s SER 97 Cb -0.07 -0.31 -0.19 0.00 -1.71 0.00 0.00 66.02 63.73 2vca s SER 97 CO 0.01 -0.06 0.67 -1.84 1.20 0.00 0.00 173.24 173.22 2vca n GLU 98 N 3.94 1.34 0.00 5.44 0.28 -1.26 -0.51 120.64 129.88 2vca n GLU 98 Ca -0.25 -0.02 0.05 0.00 -0.16 0.00 0.00 57.16 56.78 2vca n GLU 98 Cb 0.51 -1.31 0.01 0.00 1.43 0.00 0.00 31.44 32.09 2vca n GLU 98 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2vca n ASP 99 N -1.49 1.31 0.00 -1.84 5.68 -1.26 -4.72 116.55 114.23 2vca n ASP 99 Ca 0.02 -1.16 0.00 0.00 -0.50 0.00 0.00 54.79 53.16 2vca n ASP 99 Cb 0.29 0.36 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 2vca n ASP 99 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2vca n GLY 100 N 0.79 2.02 0.66 6.12 0.00 -1.26 -4.48 105.19 109.03 2vca n GLY 100 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 2vca n GLY 100 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2vca n GLU 101 N -2.00 0.23 -3.19 1.61 -0.58 -1.26 -4.76 120.64 110.69 2vca n GLU 101 Ca 0.00 0.10 -0.40 0.00 -0.42 0.00 0.00 57.16 56.44 2vca n GLU 101 Cb 0.00 -0.89 -0.07 0.00 -0.57 0.00 0.00 31.44 29.91 2vca n GLU 101 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2vca s ASN 102 N -6.00 6.46 -0.36 1.62 0.01 -1.26 -5.00 114.94 110.40 2vca s ASN 102 Ca -0.15 0.46 -0.09 0.00 -0.71 0.00 0.00 52.86 52.38 2vca s ASN 102 Cb 0.05 -2.30 0.03 0.00 0.41 0.00 0.00 41.25 39.44 2vca s ASN 102 CO 0.19 -0.37 0.16 -0.36 -1.51 0.00 0.00 177.10 175.21 2vca s PHE 103 N 2.43 3.25 0.07 2.20 0.40 -1.26 -4.15 117.98 120.92 2vca s PHE 103 Ca 0.23 -1.19 0.04 0.00 -0.60 0.00 0.00 56.93 55.41 2vca s PHE 103 Cb -0.15 -2.37 -0.04 0.00 0.51 0.00 0.00 43.02 40.96 2vca s PHE 103 CO 0.10 -0.69 -0.02 -0.80 0.70 0.00 0.00 175.22 174.51 2vca s ASN 104 N 1.49 4.94 -0.03 1.36 0.01 -0.17 -1.25 114.94 121.28 2vca s ASN 104 Ca 0.00 -0.17 -0.30 0.00 -0.71 0.00 0.00 52.86 51.68 2vca s ASN 104 Cb -0.19 -1.17 -0.03 0.00 0.41 0.00 0.00 41.25 40.27 2vca s ASN 104 CO 0.05 0.20 1.06 -0.75 -1.51 0.00 0.00 177.10 176.15 2vca s LYS 105 N -2.10 4.46 -0.00 -0.60 2.20 -1.26 -0.20 119.74 122.24 2vca s LYS 105 Ca 0.24 1.50 0.01 0.00 -0.36 0.00 0.00 55.97 57.36 2vca s LYS 105 Cb -0.12 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.70 2vca s LYS 105 CO 0.16 -0.23 0.03 0.44 -0.36 0.00 0.00 175.35 175.38 2vca n ILE 106 N 4.23 0.00 -3.61 5.43 -5.35 0.31 -4.93 119.36 115.45 2vca n ILE 106 Ca 0.08 -0.04 -0.07 0.00 -0.27 0.00 0.00 62.75 62.45 2vca n ILE 106 Cb 0.49 0.48 -0.02 0.00 -1.74 0.00 0.00 39.64 38.85 2vca n ILE 106 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2vca s ALA 107 N -2.08 -1.68 -0.03 -1.28 0.00 -1.10 -4.81 121.76 110.78 2vca s ALA 107 Ca -0.00 0.52 -0.29 0.00 0.00 0.00 0.00 51.96 52.19 2vca s ALA 107 Cb 0.01 0.60 0.09 0.00 0.00 0.00 0.00 23.12 23.82 2vca s ALA 107 CO 0.06 -0.85 0.78 1.52 0.00 0.00 0.00 175.76 177.27 2vca s TYR 108 N -3.34 -0.50 -0.19 0.00 -0.85 -1.26 0.14 117.35 111.35 2vca s TYR 108 Ca 0.07 0.68 -0.00 0.00 -0.52 0.00 0.00 57.07 57.30 2vca s TYR 108 Cb -0.02 0.47 0.01 0.00 0.38 0.00 0.00 41.96 42.81 2vca s TYR 108 CO -0.04 -0.58 -0.15 0.21 -1.52 0.00 0.00 175.55 173.47 2vca s LYS 109 N -2.02 3.11 0.00 -3.49 2.20 0.51 -4.97 119.74 115.07 2vca s LYS 109 Ca -0.03 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 54.81 2vca s LYS 109 Cb -0.00 -2.69 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 2vca s LYS 109 CO -0.00 -0.20 0.29 0.27 -0.36 0.00 0.00 175.35 175.35 2vca n ASN 110 N 4.65 0.58 -4.76 1.43 6.94 -1.26 -1.41 115.26 121.43 2vca n ASN 110 Ca -0.20 -0.95 -0.30 0.00 -0.02 0.00 0.00 54.58 53.11 2vca n ASN 110 Cb 0.50 0.05 0.12 0.00 -2.36 0.00 0.00 39.78 38.09 2vca n ASN 110 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2vca s ASN 111 N -0.05 3.89 -0.14 0.53 2.20 -1.26 -4.96 114.94 115.15 2vca s ASN 111 Ca 0.00 1.38 0.07 0.00 -0.94 0.00 0.00 52.86 53.37 2vca s ASN 111 Cb 0.00 -2.08 0.45 0.00 -2.00 0.00 0.00 41.25 37.62 2vca s ASN 111 CO 0.00 -2.36 1.22 0.47 -2.94 0.00 0.00 177.10 173.49 2vca n ASP 112 N -3.69 3.62 -4.75 3.54 8.00 -1.26 -4.85 116.55 117.16 2vca n ASP 112 Ca 0.07 -2.55 -0.41 0.00 0.71 0.00 0.00 54.79 52.61 2vca n ASP 112 Cb 0.56 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 2vca n ASP 112 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2vca s ASN 113 N -0.42 7.07 0.42 -2.24 -0.87 -1.26 -4.93 114.94 112.72 2vca s ASN 113 Ca 0.30 2.33 -0.25 0.00 -1.57 0.00 0.00 52.86 53.67 2vca s ASN 113 Cb 0.23 -2.62 -0.08 0.00 -0.02 0.00 0.00 41.25 38.76 2vca s ASN 113 CO 0.09 -0.35 1.22 0.68 -2.57 0.00 0.00 177.10 176.17 2vca s VAL 114 N -0.50 2.90 0.52 1.60 -7.23 -1.26 -4.27 120.40 112.15 2vca s VAL 114 Ca 0.50 0.75 -0.20 0.00 -1.81 0.00 0.00 61.98 61.22 2vca s VAL 114 Cb -0.34 -3.42 -0.07 0.00 0.56 0.00 0.00 36.38 33.12 2vca s VAL 114 CO 0.40 0.07 1.11 -0.44 -0.31 0.00 0.00 175.10 175.93 2vca s SER 115 N -1.03 5.89 0.11 4.85 0.01 -0.64 -4.99 113.70 117.90 2vca s SER 115 Ca 0.59 2.14 -0.00 0.00 1.31 0.00 0.00 55.95 59.99 2vca s SER 115 Cb -0.33 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.32 2vca s SER 115 CO 0.42 -1.10 0.14 -0.90 0.41 0.00 0.00 173.24 172.21 2vca n ASP 116 N -1.15 -0.40 0.02 2.44 5.68 -1.26 -4.31 116.55 117.57 2vca n ASP 116 Ca 0.11 -1.62 0.08 0.00 -0.50 0.00 0.00 54.79 52.86 2vca n ASP 116 Cb 0.51 0.76 0.36 0.00 -1.14 0.00 0.00 41.12 41.61 2vca n ASP 116 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2vca n SER 117 N -2.09 0.10 0.06 -1.12 3.41 -1.26 -2.43 113.62 110.29 2vca n SER 117 Ca 0.01 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 2vca n SER 117 Cb 0.19 -0.54 0.19 0.00 -0.26 0.00 0.00 64.21 63.79 2vca n SER 117 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2vca n ASN 118 N -1.60 0.70 -0.56 4.04 5.03 -1.26 -5.07 115.26 116.54 2vca n ASN 118 Ca 0.04 0.15 0.07 0.00 0.87 0.00 0.00 54.58 55.71 2vca n ASN 118 Cb 0.20 0.08 -0.03 0.00 -1.02 0.00 0.00 39.78 39.01 2vca n ASN 118 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2vca n GLY 119 N 1.34 -2.26 3.56 7.41 0.00 -1.02 -4.87 105.19 109.35 2vca n GLY 119 Ca 0.03 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 2vca n GLY 119 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vca s ASN 120 N -5.84 5.44 -0.22 1.61 0.01 0.18 -4.90 114.94 111.23 2vca s ASN 120 Ca 0.00 -0.03 -0.06 0.00 -0.71 0.00 0.00 52.86 52.06 2vca s ASN 120 Cb 0.00 -1.95 -0.03 0.00 0.41 0.00 0.00 41.25 39.68 2vca s ASN 120 CO 0.00 0.09 0.03 -0.32 -1.51 0.00 0.00 177.10 175.39 2vca s MET 121 N 0.87 3.65 -0.15 -0.60 1.75 -1.26 -0.53 119.30 123.02 2vca s MET 121 Ca 0.04 -0.50 0.01 0.00 -1.25 0.00 0.00 55.69 53.99 2vca s MET 121 Cb -0.14 -3.17 0.00 0.00 2.84 0.00 0.00 34.83 34.36 2vca s MET 121 CO 0.03 -0.05 -0.17 -1.01 -0.65 0.00 0.00 175.02 173.17 2vca s HIS 122 N 1.18 2.76 -0.29 4.11 3.76 0.51 -4.99 115.29 122.34 2vca s HIS 122 Ca 0.04 -1.13 -0.29 0.00 -0.15 0.00 0.00 55.06 53.52 2vca s HIS 122 Cb -0.14 -1.88 -0.01 0.00 1.11 0.00 0.00 32.58 31.66 2vca s HIS 122 CO 0.02 -0.52 1.49 0.99 -0.85 0.00 0.00 174.74 175.87 2vca s THR 123 N 0.84 3.86 0.32 1.30 2.01 -1.26 -0.61 115.64 122.11 2vca s THR 123 Ca -0.05 0.95 -0.10 0.00 0.31 0.00 0.00 61.69 62.80 2vca s THR 123 Cb -0.15 -3.93 -0.07 0.00 0.01 0.00 0.00 72.50 68.35 2vca s THR 123 CO -0.01 -0.44 0.67 -0.63 -0.69 0.00 0.00 174.62 173.52 2vca s ILE 124 N 5.09 4.84 -1.12 1.82 -1.09 -0.83 -4.97 121.20 124.95 2vca s ILE 124 Ca 0.65 0.55 -0.08 0.00 -2.23 0.00 0.00 60.65 59.54 2vca s ILE 124 Cb -0.20 -3.68 0.28 0.00 -1.58 0.00 0.00 42.46 37.28 2vca s ILE 124 CO 0.28 -0.30 1.26 -0.67 -1.23 0.00 0.00 174.94 174.28 2vca n ASP 125 N -0.74 5.76 -4.07 3.58 2.03 -1.26 -4.34 116.55 117.52 2vca n ASP 125 Ca 0.01 -3.15 -0.28 0.00 0.52 0.00 0.00 54.79 51.90 2vca n ASP 125 Cb 0.53 -1.36 -0.04 0.00 -0.72 0.00 0.00 41.12 39.53 2vca n ASP 125 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2vca n ASN 126 N 2.48 -0.52 -4.72 1.67 5.03 -0.33 -4.93 115.26 113.94 2vca n ASN 126 Ca 0.26 -1.06 -0.41 0.00 0.87 0.00 0.00 54.58 54.24 2vca n ASN 126 Cb 0.37 -2.70 -0.04 0.00 -1.02 0.00 0.00 39.78 36.39 2vca n ASN 126 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2vca s VAL 127 N -3.94 4.97 0.12 2.41 1.01 -1.11 -4.62 120.40 119.25 2vca s VAL 127 Ca 0.12 1.68 -0.31 0.00 0.00 0.00 0.00 61.98 63.47 2vca s VAL 127 Cb -0.07 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 2vca s VAL 127 CO 0.92 0.22 1.53 -0.13 0.00 0.00 0.00 175.10 177.64 2vca s ARG 128 N 0.84 4.24 -0.17 2.72 0.52 -1.26 0.08 118.95 125.92 2vca s ARG 128 Ca 0.43 2.26 -0.10 0.00 -0.52 0.00 0.00 55.73 57.80 2vca s ARG 128 Cb -0.19 -3.30 0.06 0.00 0.52 0.00 0.00 34.95 32.04 2vca s ARG 128 CO 0.22 -0.59 0.42 0.00 0.02 0.00 0.00 175.30 175.37 2vca s ALA 129 N 1.54 -1.07 -0.16 2.13 0.00 0.77 -4.16 121.76 120.81 2vca s ALA 129 Ca 0.69 1.54 0.19 0.00 0.00 0.00 0.00 51.96 54.37 2vca s ALA 129 Cb -0.40 -0.93 -0.26 0.00 0.00 0.00 0.00 23.12 21.52 2vca s ALA 129 CO 0.31 -0.27 0.17 0.41 0.00 0.00 0.00 175.76 176.38 2vca n GLY 130 N 4.20 -1.00 3.16 0.00 0.00 0.34 -0.94 105.19 110.94 2vca n GLY 130 Ca -0.23 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 2vca n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vca s LYS 131 N -2.69 0.79 -0.01 1.61 1.02 -0.93 -1.44 119.74 118.10 2vca s LYS 131 Ca -0.09 -1.12 0.02 0.00 0.02 0.00 0.00 55.97 54.80 2vca s LYS 131 Cb 0.08 -0.45 -0.00 0.00 -0.52 0.00 0.00 37.83 36.93 2vca s LYS 131 CO 0.84 0.06 -0.06 0.42 -0.92 0.00 0.00 175.35 175.70 2vca s ILE 132 N -2.43 0.47 -0.07 2.17 1.01 -0.05 -1.32 121.20 120.98 2vca s ILE 132 Ca 0.04 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.47 2vca s ILE 132 Cb -0.03 -0.40 -0.02 0.00 0.01 0.00 0.00 42.46 42.02 2vca s ILE 132 CO -0.01 0.14 -0.13 -0.13 0.00 0.00 0.00 174.94 174.81 2vca s ARG 133 N -0.08 2.72 -0.22 2.79 0.52 0.49 -0.34 118.95 124.83 2vca s ARG 133 Ca 0.02 -0.67 0.01 0.00 -0.52 0.00 0.00 55.73 54.57 2vca s ARG 133 Cb -0.03 -2.46 0.05 0.00 0.52 0.00 0.00 34.95 33.03 2vca s ARG 133 CO -0.00 0.54 -0.09 0.42 0.02 0.00 0.00 175.30 176.19 2vca s ILE 134 N -0.52 1.73 -0.37 1.52 1.09 -0.83 -0.57 121.20 123.25 2vca s ILE 134 Ca 0.07 -1.22 -0.09 0.00 -1.10 0.00 0.00 60.65 58.31 2vca s ILE 134 Cb -0.12 -1.87 0.04 0.00 -1.06 0.00 0.00 42.46 39.45 2vca s ILE 134 CO 0.02 0.04 0.18 -0.62 -0.10 0.00 0.00 174.94 174.46 2vca s ASP 135 N 1.33 5.58 -0.57 3.58 2.15 -0.17 -2.10 116.67 126.47 2vca s ASP 135 Ca -0.04 -1.12 -0.20 0.00 0.43 0.00 0.00 52.55 51.61 2vca s ASP 135 Cb -0.18 -1.97 0.07 0.00 -0.30 0.00 0.00 42.92 40.55 2vca s ASP 135 CO -0.07 -0.39 0.76 -0.69 -0.17 0.00 0.00 175.17 174.61 2vca s VAL 136 N 1.48 4.68 -0.28 1.11 1.01 -0.61 -0.76 120.40 127.04 2vca s VAL 136 Ca 0.01 -0.53 0.23 0.00 0.00 0.00 0.00 61.98 61.69 2vca s VAL 136 Cb -0.20 -4.47 0.07 0.00 0.00 0.00 0.00 36.38 31.78 2vca s VAL 136 CO 0.05 -1.09 1.16 -0.37 0.00 0.00 0.00 175.10 174.85 2vca h VAL 137 N 5.93 0.00 -3.62 2.92 -1.51 -1.50 -3.45 116.25 115.01 2vca h VAL 137 Ca -0.28 -1.00 -0.24 0.00 -1.23 0.00 0.00 66.70 63.95 2vca h VAL 137 Cb 1.08 1.60 -0.29 0.00 -2.13 0.00 0.00 31.29 31.55 2vca h VAL 137 CO 1.07 0.00 -0.70 -1.58 -1.23 0.00 0.00 177.57 175.13 2vca s GLN 138 N -3.33 0.02 -0.16 5.19 0.74 -1.01 -4.99 119.66 116.12 2vca s GLN 138 Ca 0.01 0.08 -0.01 0.00 0.05 0.00 0.00 55.36 55.49 2vca s GLN 138 Cb 0.09 -0.06 0.04 0.00 1.10 0.00 0.00 33.01 34.18 2vca s GLN 138 CO 0.77 -0.05 -0.02 1.21 -0.55 0.00 0.00 175.29 176.65 2vca s ASN 139 N 0.31 2.63 0.66 6.67 3.84 -1.26 -2.11 114.94 125.68 2vca s ASN 139 Ca -0.02 -0.60 0.44 0.00 0.21 0.00 0.00 52.86 52.88 2vca s ASN 139 Cb -0.04 -0.75 2.34 0.00 -0.55 0.00 0.00 41.25 42.25 2vca s ASN 139 CO -0.01 -0.22 2.34 0.77 -2.79 0.00 0.00 177.10 177.19 2vca h SER 140 N 8.18 0.00 0.28 -4.21 4.64 -1.58 -2.91 113.55 117.96 2vca h SER 140 Ca -0.21 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.00 2vca h SER 140 Cb 1.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 2vca h SER 140 CO 0.36 0.00 -1.82 -3.20 -0.87 0.00 0.00 176.83 171.30 2vca n ASN 141 N -3.08 0.28 -3.66 4.97 5.15 -1.26 -4.96 115.26 112.71 2vca n ASN 141 Ca -0.03 0.12 -0.11 0.00 -0.60 0.00 0.00 54.58 53.96 2vca n ASN 141 Cb 0.09 1.24 -0.05 0.00 -0.53 0.00 0.00 39.78 40.53 2vca n ASN 141 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2vca s SER 142 N -5.06 -0.22 0.37 1.20 0.15 -1.10 -5.01 113.70 104.03 2vca s SER 142 Ca -0.06 -0.27 0.14 0.00 0.70 0.00 0.00 55.95 56.46 2vca s SER 142 Cb 0.11 0.45 0.72 0.00 -1.71 0.00 0.00 66.02 65.59 2vca s SER 142 CO 0.86 -0.80 1.80 0.44 1.20 0.00 0.00 173.24 176.74 2vca h ASP 143 N 2.54 0.00 -3.67 5.45 3.32 -1.96 -3.37 116.42 118.73 2vca h ASP 143 Ca -0.33 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.21 2vca h ASP 143 Cb 1.24 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 2vca h ASP 143 CO 0.47 0.39 0.26 -0.13 -1.72 0.00 0.00 179.24 178.50 2vca s ARG 144 N -4.03 4.62 0.35 3.56 0.52 -1.26 -4.91 118.95 117.79 2vca s ARG 144 Ca -0.02 1.25 0.08 0.00 -0.52 0.00 0.00 55.73 56.52 2vca s ARG 144 Cb 0.14 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 2vca s ARG 144 CO 0.72 0.47 0.18 0.14 0.02 0.00 0.00 175.30 176.82 2vca s VAL 145 N -1.30 3.02 0.07 3.52 -7.23 -1.26 -4.76 120.40 112.45 2vca s VAL 145 Ca 0.41 -1.64 -0.15 0.00 -1.81 0.00 0.00 61.98 58.79 2vca s VAL 145 Cb -0.22 -3.01 0.03 0.00 0.56 0.00 0.00 36.38 33.74 2vca s VAL 145 CO 0.27 -0.16 0.36 0.54 -0.31 0.00 0.00 175.10 175.80 2vca s ASN 146 N -3.88 -0.19 -0.13 4.85 4.22 -1.26 -1.65 114.94 116.89 2vca s ASN 146 Ca 0.39 -0.19 -0.01 0.00 -2.14 0.00 0.00 52.86 50.90 2vca s ASN 146 Cb -0.03 0.41 0.04 0.00 1.28 0.00 0.00 41.25 42.95 2vca s ASN 146 CO 0.23 -0.70 -0.02 -0.63 -2.04 0.00 0.00 177.10 173.95 2vca s ILE 147 N -2.94 0.71 -0.07 0.54 1.01 -1.07 -4.76 121.20 114.63 2vca s ILE 147 Ca -0.02 -0.32 -0.26 0.00 0.00 0.00 0.00 60.65 60.04 2vca s ILE 147 Cb 0.00 -0.94 -0.22 0.00 0.01 0.00 0.00 42.46 41.31 2vca s ILE 147 CO -0.06 0.12 1.04 0.00 0.00 0.00 0.00 174.94 176.04 2vca h ALA 148 N 8.23 -0.02 -2.72 9.38 0.00 -0.90 -2.79 119.26 130.43 2vca h ALA 148 Ca -0.21 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.23 2vca h ALA 148 Cb 1.12 0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.71 2vca h ALA 148 CO 0.34 -0.17 -0.41 -1.21 0.00 0.00 0.00 179.25 177.80 2vca s GLU 149 N -3.44 0.52 -0.08 0.00 0.41 -1.06 -4.32 118.70 110.73 2vca s GLU 149 Ca -0.17 -0.24 -0.00 0.00 -0.41 0.00 0.00 54.97 54.16 2vca s GLU 149 Cb -0.00 0.23 0.02 0.00 -1.78 0.00 0.00 34.13 32.60 2vca s GLU 149 CO 0.65 -0.13 -0.05 -1.50 -0.49 0.00 0.00 175.26 173.75 2vca s ILE 150 N -1.17 0.73 -0.12 -1.63 2.07 -0.62 -0.63 121.20 119.82 2vca s ILE 150 Ca -0.12 -0.14 -0.02 0.00 -1.41 0.00 0.00 60.65 58.95 2vca s ILE 150 Cb -0.06 -0.78 -0.03 0.00 0.13 0.00 0.00 42.46 41.72 2vca s ILE 150 CO 0.02 0.30 -0.03 0.20 -1.91 0.00 0.00 174.94 173.52 2vca s ASN 151 N 1.52 4.89 -0.09 4.50 0.02 -0.02 -4.83 114.94 120.94 2vca s ASN 151 Ca -0.00 -0.04 0.03 0.00 -1.02 0.00 0.00 52.86 51.83 2vca s ASN 151 Cb -0.13 -1.59 -0.01 0.00 0.02 0.00 0.00 41.25 39.53 2vca s ASN 151 CO -0.04 0.26 -0.20 -0.69 0.02 0.00 0.00 177.10 176.45 2vca s VAL 152 N -0.16 2.51 -0.04 1.60 1.01 -1.26 -0.58 120.40 123.48 2vca s VAL 152 Ca 0.03 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.19 2vca s VAL 152 Cb -0.13 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 2vca s VAL 152 CO 0.02 0.56 -0.23 -0.36 0.00 0.00 0.00 175.10 175.09 2vca s PHE 153 N 0.03 2.17 -1.33 5.22 0.08 -0.24 -0.48 117.98 123.43 2vca s PHE 153 Ca -0.07 -0.59 0.00 0.00 0.12 0.00 0.00 56.93 56.39 2vca s PHE 153 Cb -0.15 -1.43 0.00 0.00 -0.57 0.00 0.00 43.02 40.87 2vca s PHE 153 CO 0.05 -0.16 0.00 0.41 -0.10 0.00 0.00 175.22 175.42 2vca n GLY 154 N 2.89 -1.41 3.32 4.36 0.00 -0.04 -1.10 105.19 113.21 2vca n GLY 154 Ca -0.17 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 2vca n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vca s LYS 155 N -1.15 3.33 0.23 1.61 -0.14 -0.33 -2.72 119.74 120.57 2vca s LYS 155 Ca 0.00 -0.69 -0.31 0.00 -1.36 0.00 0.00 55.97 53.61 2vca s LYS 155 Cb 0.00 -2.72 -0.11 0.00 -1.68 0.00 0.00 37.83 33.32 2vca s LYS 155 CO 0.00 0.05 1.62 1.21 -0.76 0.00 0.00 175.35 177.47 2vca s ASN 156 N 0.77 6.45 0.11 2.83 3.84 -1.26 -0.60 114.94 127.09 2vca s ASN 156 Ca -0.05 2.81 0.23 0.00 0.21 0.00 0.00 52.86 56.07 2vca s ASN 156 Cb -0.15 -2.61 0.13 0.00 -0.55 0.00 0.00 41.25 38.06 2vca s ASN 156 CO 0.01 -0.89 1.11 0.35 -2.79 0.00 0.00 177.10 174.89 2vca n THR 157 N 3.29 0.34 -0.14 -5.21 -2.24 -0.15 -4.88 114.28 105.30 2vca n THR 157 Ca 0.12 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2vca n THR 157 Cb 0.37 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 2vca n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vca n GLY 158 N 1.31 1.04 3.93 3.38 0.00 -1.26 -5.05 105.19 108.55 2vca n GLY 158 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 2vca n GLY 158 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vca s GLU 159 N -0.60 2.93 0.14 1.61 2.02 -1.26 -4.99 118.70 118.55 2vca s GLU 159 Ca 0.00 -1.15 0.10 0.00 0.02 0.00 0.00 54.97 53.93 2vca s GLU 159 Cb 0.00 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.52 2vca s GLU 159 CO 0.00 0.05 -0.23 -1.12 0.02 0.00 0.00 175.26 173.98 2vca s SER 160 N -4.11 2.96 0.47 -0.19 0.01 -1.26 -1.50 113.70 110.07 2vca s SER 160 Ca 0.44 -0.76 -0.23 0.00 1.31 0.00 0.00 55.95 56.71 2vca s SER 160 Cb -0.08 -0.19 -0.09 0.00 0.21 0.00 0.00 66.02 65.87 2vca s SER 160 CO 0.29 0.09 0.94 0.18 0.41 0.00 0.00 173.24 175.16 2vca n LEU 161 N 0.77 2.56 -4.73 2.44 4.77 -1.26 -4.89 117.00 116.66 2vca n LEU 161 Ca -0.17 0.96 -0.30 0.00 -0.03 0.00 0.00 56.01 56.47 2vca n LEU 161 Cb 0.54 -1.34 0.13 0.00 -2.33 0.00 0.00 43.42 40.43 2vca n LEU 161 CO 0.25 -1.74 0.67 -2.16 -1.33 0.00 0.00 177.39 173.08 2vca s PRO 162 N -2.14 1.47 -0.10 3.23 0.04 -1.26 -5.03 135.00 131.20 2vca s PRO 162 Ca 0.66 0.87 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 2vca s PRO 162 Cb -0.52 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 2vca s PRO 162 CO 0.55 -2.11 1.27 -1.21 0.04 0.00 0.00 177.00 175.54 2vca s GLU 163 N -4.94 4.28 0.00 4.56 8.01 -1.26 -4.72 118.70 124.64 2vca s GLU 163 Ca 0.63 1.72 0.00 0.00 0.01 0.00 0.00 54.97 57.33 2vca s GLU 163 Cb -0.18 -3.67 0.00 0.00 -4.31 0.00 0.00 34.13 25.97 2vca s GLU 163 CO 0.57 -0.59 0.00 0.28 0.01 0.00 0.00 175.26 175.52 2vca n VAL 164 N 5.00 0.00 -2.83 2.63 0.31 -1.26 -5.02 118.33 117.15 2vca n VAL 164 Ca 0.13 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.13 2vca n VAL 164 Cb 0.45 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.32 2vca n VAL 164 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2vca s LYS 165 N 0.00 4.17 0.64 5.55 2.36 -1.26 -5.01 119.74 126.19 2vca s LYS 165 Ca 0.00 1.04 -0.17 0.00 -2.55 0.00 0.00 55.97 54.29 2vca s LYS 165 Cb 0.00 -2.21 -0.01 0.00 -1.05 0.00 0.00 37.83 34.56 2vca s LYS 165 CO 0.00 -0.02 1.17 0.21 1.55 0.00 0.00 175.35 178.26 2vca s LYS 166 N -3.23 2.76 0.04 4.03 2.20 -1.26 -4.91 119.74 119.37 2vca s LYS 166 Ca 0.61 1.67 -0.34 0.00 -0.36 0.00 0.00 55.97 57.55 2vca s LYS 166 Cb -0.09 -1.92 -0.13 0.00 -1.51 0.00 0.00 37.83 34.18 2vca s LYS 166 CO 0.15 -1.34 1.74 -0.89 -0.36 0.00 0.00 175.35 174.66 2vca n ILE 167 N -2.05 0.31 -4.40 5.43 5.41 -1.26 -4.98 119.36 117.82 2vca n ILE 167 Ca 0.13 -0.05 -0.24 0.00 1.00 0.00 0.00 62.75 63.58 2vca n ILE 167 Cb 0.50 -1.74 -0.17 0.00 -0.71 0.00 0.00 39.64 37.53 2vca n ILE 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2vca s ALA 168 N 2.54 1.18 0.13 -1.39 0.00 -1.26 -5.14 121.76 117.82 2vca s ALA 168 Ca 0.86 -0.38 0.08 0.00 0.00 0.00 0.00 51.96 52.51 2vca s ALA 168 Cb -0.67 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 2vca s ALA 168 CO 0.44 -0.00 -0.18 0.95 0.00 0.00 0.00 175.76 176.97 2vca s THR 169 N 0.89 1.68 0.39 0.00 -4.23 -1.26 -4.81 115.64 108.30 2vca s THR 169 Ca -0.10 -1.74 -0.23 0.00 -1.18 0.00 0.00 61.69 58.43 2vca s THR 169 Cb -0.15 -1.67 -0.10 0.00 1.34 0.00 0.00 72.50 71.91 2vca s THR 169 CO 0.01 -0.25 0.95 -0.94 -0.54 0.00 0.00 174.62 173.86 2vca s SER 170 N -2.35 7.09 0.18 3.99 1.04 -1.26 -5.05 113.70 117.35 2vca s SER 170 Ca 0.11 1.77 -0.30 0.00 0.48 0.00 0.00 55.95 58.01 2vca s SER 170 Cb -0.07 -2.56 -0.08 0.00 0.10 0.00 0.00 66.02 63.41 2vca s SER 170 CO 0.05 -0.25 0.96 0.20 0.98 0.00 0.00 173.24 175.18 2vca s ASN 171 N -1.92 7.56 0.20 7.02 0.01 -1.26 -4.88 114.94 121.67 2vca s ASN 171 Ca 0.57 1.90 -0.17 0.00 -0.71 0.00 0.00 52.86 54.45 2vca s ASN 171 Cb -0.14 -2.60 0.19 0.00 0.41 0.00 0.00 41.25 39.11 2vca s ASN 171 CO 0.18 0.04 1.60 0.15 -1.51 0.00 0.00 177.10 177.56 2vca h PHE 172 N 4.78 -0.68 -0.01 2.20 3.57 -0.89 -0.04 116.94 125.87 2vca h PHE 172 Ca -0.44 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.13 2vca h PHE 172 Cb 1.21 0.39 -0.00 0.00 2.79 0.00 0.00 35.95 40.34 2vca h PHE 172 CO 0.63 -0.35 0.25 0.66 -2.23 0.00 0.00 178.31 177.26 2vca h SER 173 N -0.09 0.00 0.33 0.41 4.64 -1.91 0.60 113.55 117.53 2vca h SER 173 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2vca h SER 173 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2vca h SER 173 CO -0.69 0.00 -0.61 -0.62 -0.87 0.00 0.00 176.83 174.03 2vca n GLU 174 N -2.97 0.10 -3.42 4.77 1.02 -0.03 -4.85 120.64 115.26 2vca n GLU 174 Ca -0.02 -0.07 -0.24 0.00 -0.02 0.00 0.00 57.16 56.81 2vca n GLU 174 Cb 0.30 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.21 2vca n GLU 174 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2vca s THR 175 N -2.94 5.12 0.61 2.62 -4.23 0.20 -4.99 115.64 112.03 2vca s THR 175 Ca 0.11 -0.50 0.41 0.00 -1.18 0.00 0.00 61.69 60.54 2vca s THR 175 Cb 0.17 -3.86 0.43 0.00 1.34 0.00 0.00 72.50 70.58 2vca s THR 175 CO 0.73 -0.54 2.32 1.55 -0.54 0.00 0.00 174.62 178.14 2vca h PRO 176 N 0.78 0.00 -0.46 3.99 0.13 -1.93 -2.63 132.00 131.88 2vca h PRO 176 Ca -0.50 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 2vca h PRO 176 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2vca h PRO 176 CO 0.61 0.00 0.06 -1.49 -0.23 0.00 0.00 178.00 176.96 2vca h TRP 177 N 0.00 0.75 -0.23 1.56 4.06 -1.94 -2.30 115.95 117.85 2vca h TRP 177 Ca -0.00 -0.08 -0.07 0.00 2.06 0.00 0.00 58.89 60.80 2vca h TRP 177 Cb 0.05 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 27.99 2vca h TRP 177 CO 0.00 0.67 -0.14 0.00 -3.56 0.00 0.00 178.44 175.41 2vca h ALA 178 N 1.38 0.33 -0.34 1.49 0.00 -1.60 -0.39 119.26 120.12 2vca h ALA 178 Ca 0.15 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.80 2vca h ALA 178 Cb 0.34 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2vca h ALA 178 CO 0.01 0.20 0.01 1.15 0.00 0.00 0.00 179.25 180.62 2vca h THR 179 N 0.21 0.75 -0.48 0.00 2.02 -1.58 -1.24 112.91 112.60 2vca h THR 179 Ca 0.05 -0.04 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 2vca h THR 179 Cb 0.65 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2vca h THR 179 CO 0.04 0.02 0.07 -0.08 0.37 0.00 0.00 175.52 175.94 2vca h GLU 180 N 0.11 0.80 -0.79 6.66 4.57 -1.36 -1.54 114.58 123.02 2vca h GLU 180 Ca 0.17 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 2vca h GLU 180 Cb 0.22 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.69 2vca h GLU 180 CO -0.27 0.81 0.41 -0.92 -1.18 0.00 0.00 179.01 177.85 2vca h TYR 181 N 0.67 1.12 -0.19 0.92 3.20 -0.83 -1.99 116.97 119.87 2vca h TYR 181 Ca 0.15 -0.04 -0.19 0.00 3.14 0.00 0.00 58.73 61.78 2vca h TYR 181 Cb 0.40 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2vca h TYR 181 CO 0.03 0.80 -0.66 1.49 -1.64 0.00 0.00 178.16 178.18 2vca h GLU 182 N 1.11 0.70 -0.18 1.82 4.22 -1.15 -2.30 114.58 118.79 2vca h GLU 182 Ca 0.28 -0.51 0.00 0.00 0.08 0.00 0.00 59.36 59.21 2vca h GLU 182 Cb 0.08 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2vca h GLU 182 CO -0.04 1.13 0.12 -0.22 -2.18 0.00 0.00 179.01 177.82 2vca h LYS 183 N 0.51 0.24 -0.82 1.92 3.64 -1.11 -0.12 116.57 120.83 2vca h LYS 183 Ca -0.02 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2vca h LYS 183 Cb 1.25 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 2vca h LYS 183 CO 0.13 0.16 0.53 0.35 -2.27 0.00 0.00 179.45 178.35 2vca h PHE 184 N 0.25 1.00 -0.74 1.91 3.57 -1.38 -0.99 116.94 120.55 2vca h PHE 184 Ca 0.07 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 2vca h PHE 184 Cb -0.03 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.35 2vca h PHE 184 CO -0.07 0.59 0.25 -0.91 -2.23 0.00 0.00 178.31 175.94 2vca h ASN 185 N 1.05 1.07 0.00 0.41 2.35 -0.91 -3.33 115.58 116.22 2vca h ASN 185 Ca 0.32 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2vca h ASN 185 Cb -0.03 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.06 2vca h ASN 185 CO -0.10 0.98 -1.30 -1.54 -1.65 0.00 0.00 177.43 173.82 2vca n SER 186 N -4.26 0.70 -3.87 5.81 3.41 -0.10 -4.84 113.62 110.47 2vca n SER 186 Ca 0.06 -0.67 -0.30 0.00 -0.26 0.00 0.00 58.87 57.70 2vca n SER 186 Cb 0.22 1.32 -0.15 0.00 -0.26 0.00 0.00 64.21 65.33 2vca n SER 186 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2vca s ASP 187 N -3.44 4.13 0.16 4.04 -1.08 -0.39 -5.01 116.67 115.07 2vca s ASP 187 Ca 0.03 -1.60 -0.14 0.00 -0.52 0.00 0.00 52.55 50.31 2vca s ASP 187 Cb 0.15 -1.15 0.04 0.00 -1.46 0.00 0.00 42.92 40.50 2vca s ASP 187 CO 0.86 -0.35 1.74 0.28 0.52 0.00 0.00 175.17 178.22 2vca h SER 188 N 7.93 0.67 -0.62 -0.34 0.02 -1.85 -0.31 113.55 119.04 2vca h SER 188 Ca -0.12 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2vca h SER 188 Cb 1.04 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 2vca h SER 188 CO 0.46 0.61 0.37 0.00 -1.14 0.00 0.00 176.83 177.13 2vca h ALA 189 N 1.08 0.79 -0.31 3.77 0.00 -1.95 -0.12 119.26 122.52 2vca h ALA 189 Ca 0.18 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2vca h ALA 189 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2vca h ALA 189 CO -0.02 0.27 -0.00 -0.92 0.00 0.00 0.00 179.25 178.57 2vca h TYR 190 N 0.84 0.60 -0.48 0.00 3.20 -1.86 -1.90 116.97 117.38 2vca h TYR 190 Ca 0.22 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2vca h TYR 190 Cb -0.02 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 2vca h TYR 190 CO -0.02 0.68 0.31 0.00 -1.64 0.00 0.00 178.16 177.49 2vca h ALA 191 N 0.84 0.60 -0.49 1.82 0.00 -0.84 -0.01 119.26 121.18 2vca h ALA 191 Ca 0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2vca h ALA 191 Cb 0.44 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2vca h ALA 191 CO 0.02 0.06 0.12 -0.91 0.00 0.00 0.00 179.25 178.54 2vca h ASN 192 N 0.64 0.74 -0.67 0.00 -0.26 -0.99 -0.36 115.58 114.68 2vca h ASN 192 Ca 0.17 -0.23 -0.04 0.00 -0.56 0.00 0.00 56.30 55.64 2vca h ASN 192 Cb -0.06 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 36.98 2vca h ASN 192 CO -0.04 0.78 0.25 -0.08 -1.06 0.00 0.00 177.43 177.28 2vca h GLU 193 N 0.66 1.02 0.20 0.81 4.81 -1.19 -0.41 114.58 120.49 2vca h GLU 193 Ca 0.15 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2vca h GLU 193 Cb 0.33 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2vca h GLU 193 CO 0.00 0.86 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.78 2vca h LYS 194 N 0.96 -0.34 0.23 1.92 1.63 -0.75 -1.49 116.57 118.73 2vca h LYS 194 Ca 0.22 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 2vca h LYS 194 Cb 0.24 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 2vca h LYS 194 CO -0.01 -0.23 -0.21 1.15 -3.45 0.00 0.00 179.45 176.70 2vca h THR 195 N -0.35 0.55 -0.79 1.00 2.02 -0.92 -0.56 112.91 113.87 2vca h THR 195 Ca -0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 2vca h THR 195 Cb 0.31 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 2vca h THR 195 CO -0.00 0.00 0.52 -0.07 0.37 0.00 0.00 175.52 176.34 2vca h LEU 196 N -0.46 0.90 -0.66 2.58 3.38 -1.09 -0.59 115.31 119.37 2vca h LEU 196 Ca -0.01 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2vca h LEU 196 Cb 0.42 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2vca h LEU 196 CO -0.03 0.65 0.10 0.78 0.09 0.00 0.00 178.44 180.02 2vca h ASN 197 N 1.06 1.06 -0.91 -0.43 2.35 -1.17 -2.33 115.58 115.20 2vca h ASN 197 Ca 0.29 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2vca h ASN 197 Cb -0.11 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 37.93 2vca h ASN 197 CO -0.07 1.06 0.52 -0.33 -1.65 0.00 0.00 177.43 176.96 2vca h GLU 198 N 1.02 1.26 -0.52 0.81 4.39 -0.50 -0.02 114.58 121.02 2vca h GLU 198 Ca 0.20 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 2vca h GLU 198 Cb 0.46 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2vca h GLU 198 CO 0.02 0.91 -0.02 0.82 -1.16 0.00 0.00 179.01 179.57 2vca h ILE 199 N 1.27 1.26 -0.58 3.13 1.08 -0.98 0.72 117.51 123.41 2vca h ILE 199 Ca 0.32 -1.10 -0.03 0.00 -0.39 0.00 0.00 64.86 63.66 2vca h ILE 199 Cb -0.00 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 34.60 2vca h ILE 199 CO -0.06 0.39 0.23 0.50 -0.69 0.00 0.00 178.15 178.53 2vca h LYS 200 N 0.82 0.86 -0.77 2.37 1.63 -1.06 -1.60 116.57 118.83 2vca h LYS 200 Ca 0.15 -0.16 0.01 0.00 -0.85 0.00 0.00 60.65 59.81 2vca h LYS 200 Cb 0.52 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.97 2vca h LYS 200 CO 0.03 0.74 0.51 -0.91 -3.45 0.00 0.00 179.45 176.37 2vca h ASN 201 N 0.80 0.87 -0.40 4.20 -0.26 -0.56 -2.24 115.58 117.97 2vca h ASN 201 Ca 0.19 -0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.90 2vca h ASN 201 Cb 0.20 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 2vca h ASN 201 CO -0.02 0.62 0.19 0.25 -1.06 0.00 0.00 177.43 177.42 2vca h LEU 202 N 1.02 0.53 -0.42 1.61 6.46 -0.45 -1.78 115.31 122.27 2vca h LEU 202 Ca 0.29 -0.13 0.05 0.00 -0.12 0.00 0.00 57.88 57.97 2vca h LEU 202 Cb -0.08 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 39.67 2vca h LEU 202 CO -0.07 0.51 0.16 0.58 -0.62 0.00 0.00 178.44 179.00 2vca h VAL 203 N 0.51 0.89 -0.90 1.05 2.07 -0.93 -0.59 116.25 118.34 2vca h VAL 203 Ca 0.14 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.57 2vca h VAL 203 Cb 0.12 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 2vca h VAL 203 CO -0.02 0.06 0.58 1.23 0.02 0.00 0.00 177.57 179.45 2vca h GLY 204 N 0.33 1.31 1.46 2.17 0.00 -1.25 -1.23 103.07 105.86 2vca h GLY 204 Ca 0.19 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 46.94 2vca h GLY 204 CO -0.19 0.39 -0.43 3.21 0.00 0.00 0.00 176.54 179.53 2vca h ARG 205 N 1.14 0.59 0.00 4.80 3.08 -0.88 -2.19 114.38 120.92 2vca h ARG 205 Ca 0.36 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2vca h ARG 205 Cb -0.01 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2vca h ARG 205 CO -0.11 0.90 -0.14 0.28 -1.07 0.00 0.00 179.97 179.84 2vca h VAL 206 N 0.48 1.26 0.00 2.04 2.07 -0.80 -3.41 116.25 117.89 2vca h VAL 206 Ca 0.04 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.57 2vca h VAL 206 Cb 0.94 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 2vca h VAL 206 CO 0.08 0.43 -0.54 2.30 0.02 0.00 0.00 177.57 179.86 2vca n ILE 207 N -4.63 0.00 0.00 4.57 -5.35 -0.49 -5.00 119.36 108.45 2vca n ILE 207 Ca -0.10 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 2vca n ILE 207 Cb 0.39 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 2vca n ILE 207 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2vca n GLY 208 N 1.38 3.75 0.26 3.28 0.00 -0.83 -4.86 105.19 108.16 2vca n GLY 208 Ca 0.01 -1.55 0.06 0.00 0.00 0.00 0.00 46.02 44.54 2vca n GLY 208 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2vca h ARG 209 N 0.00 0.11 0.00 1.61 -0.00 -1.83 -1.92 114.38 112.36 2vca h ARG 209 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 2vca h ARG 209 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 29.95 2vca h ARG 209 CO 0.00 0.14 0.00 -0.85 -0.00 0.00 0.00 179.97 179.26 2vca n GLU 210 N -4.45 0.13 0.00 0.08 0.00 -1.26 -2.50 120.64 112.64 2vca n GLU 210 Ca -0.02 0.20 0.07 0.00 0.00 0.00 0.00 57.16 57.41 2vca n GLU 210 Cb 0.14 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.08 2vca n GLU 210 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2vca n PHE 211 N -1.34 0.00 -0.15 -1.84 3.72 -0.72 -4.65 117.46 112.48 2vca n PHE 211 Ca 0.05 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.39 2vca n PHE 211 Cb 0.11 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.68 2vca n PHE 211 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2vca h LYS 212 N 1.75 0.52 0.00 -1.08 1.57 -1.60 -2.68 116.57 115.05 2vca h LYS 212 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2vca h LYS 212 Cb 0.51 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2vca h LYS 212 CO 0.00 0.35 0.00 -0.25 -0.57 0.00 0.00 179.45 178.98 2vca n ASP 213 N -4.84 0.00 -0.36 0.86 8.00 -1.26 -2.97 116.55 115.99 2vca n ASP 213 Ca 0.02 -0.77 0.14 0.00 0.71 0.00 0.00 54.79 54.89 2vca n ASP 213 Cb 0.07 -0.01 0.47 0.00 -0.02 0.00 0.00 41.12 41.63 2vca n ASP 213 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2vca n LYS 214 N -1.01 1.25 -4.93 -1.24 4.01 -1.01 -4.88 118.16 110.35 2vca n LYS 214 Ca 0.19 -0.72 -0.27 0.00 -0.51 0.00 0.00 58.31 57.00 2vca n LYS 214 Cb 0.09 -1.49 -0.15 0.00 -0.51 0.00 0.00 35.03 32.98 2vca n LYS 214 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 2vca s PHE 215 N -2.24 1.94 -0.16 2.13 0.08 -1.16 -0.61 117.98 117.96 2vca s PHE 215 Ca 0.32 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 57.01 2vca s PHE 215 Cb 0.20 -1.21 0.01 0.00 -0.57 0.00 0.00 43.02 41.45 2vca s PHE 215 CO 0.42 0.02 -0.20 0.42 -0.10 0.00 0.00 175.22 175.78 2vca s ILE 216 N -0.63 2.12 -0.10 0.64 1.01 0.32 -4.91 121.20 119.66 2vca s ILE 216 Ca 0.08 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 2vca s ILE 216 Cb -0.09 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 2vca s ILE 216 CO 0.00 0.54 0.00 -0.36 0.00 0.00 0.00 174.94 175.12 2vca s PHE 217 N 1.07 3.15 -0.01 3.97 0.08 -1.26 -0.73 117.98 124.25 2vca s PHE 217 Ca -0.00 0.14 0.02 0.00 0.12 0.00 0.00 56.93 57.20 2vca s PHE 217 Cb -0.14 -1.82 -0.00 0.00 -0.57 0.00 0.00 43.02 40.49 2vca s PHE 217 CO -0.08 0.40 -0.06 -1.21 -0.10 0.00 0.00 175.22 174.17 2vca s GLU 218 N -0.69 0.56 0.18 0.44 0.41 -0.44 -4.98 118.70 114.18 2vca s GLU 218 Ca 0.11 -0.21 -0.30 0.00 -0.41 0.00 0.00 54.97 54.16 2vca s GLU 218 Cb -0.12 -0.55 -0.07 0.00 -1.78 0.00 0.00 34.13 31.61 2vca s GLU 218 CO 0.02 0.11 0.94 0.42 -0.49 0.00 0.00 175.26 176.26 2vca s ILE 219 N 0.01 4.28 0.27 -1.63 -1.09 -1.26 -1.81 121.20 119.97 2vca s ILE 219 Ca 0.00 2.06 0.02 0.00 -2.23 0.00 0.00 60.65 60.51 2vca s ILE 219 Cb -0.04 -4.32 -0.01 0.00 -1.58 0.00 0.00 42.46 36.51 2vca s ILE 219 CO -0.00 0.42 0.09 -2.11 -1.23 0.00 0.00 174.94 172.11 2vca n ARG 220 N 2.08 0.73 -2.21 2.79 -4.01 -0.67 -4.86 116.66 110.51 2vca n ARG 220 Ca -0.00 -2.23 -0.27 0.00 -1.04 0.00 0.00 57.85 54.31 2vca n ARG 220 Cb 0.48 1.18 0.12 0.00 -3.04 0.00 0.00 32.46 31.20 2vca n ARG 220 CO 0.00 0.00 0.00 0.16 -3.04 0.00 0.00 177.63 174.75 2vca s ASP 221 N -2.63 4.12 0.69 2.89 -4.77 -1.26 -4.02 116.67 111.70 2vca s ASP 221 Ca 0.13 0.17 -0.13 0.00 -3.30 0.00 0.00 52.55 49.42 2vca s ASP 221 Cb 0.01 -0.54 0.01 0.00 -1.09 0.00 0.00 42.92 41.31 2vca s ASP 221 CO 0.09 -2.05 1.09 -1.10 0.70 0.00 0.00 175.17 173.90 2vca s GLN 222 N -5.43 2.72 -0.46 2.11 -0.21 -1.26 -4.51 119.66 112.61 2vca s GLN 222 Ca 0.66 1.21 -0.16 0.00 0.02 0.00 0.00 55.36 57.10 2vca s GLN 222 Cb -0.07 -1.95 0.06 0.00 1.00 0.00 0.00 33.01 32.05 2vca s GLN 222 CO 0.47 -1.29 0.41 -1.17 -2.12 0.00 0.00 175.29 171.59 2vca s LEU 223 N -5.28 5.44 -1.52 2.90 1.98 -0.20 -4.53 118.68 117.47 2vca s LEU 223 Ca 0.63 -1.19 -0.11 0.00 -2.89 0.00 0.00 54.13 50.58 2vca s LEU 223 Cb -0.18 -2.22 0.08 0.00 0.66 0.00 0.00 46.19 44.54 2vca s LEU 223 CO 0.48 -0.64 0.81 0.59 -1.89 0.00 0.00 176.35 175.71 2vca n ASN 224 N 5.31 -3.24 0.00 3.68 5.03 -1.26 -1.28 115.26 123.51 2vca n ASN 224 Ca -0.11 -0.87 0.00 0.00 0.87 0.00 0.00 54.58 54.47 2vca n ASN 224 Cb 0.45 -3.54 0.00 0.00 -1.02 0.00 0.00 39.78 35.67 2vca n ASN 224 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2vca n GLY 225 N -1.65 0.69 3.44 7.41 0.00 -1.26 -5.04 105.19 108.77 2vca n GLY 225 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2vca n GLY 225 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vca s ASN 226 N -2.35 3.67 0.45 1.61 0.01 -0.40 -5.03 114.94 112.90 2vca s ASN 226 Ca 0.00 -0.53 -0.25 0.00 -0.71 0.00 0.00 52.86 51.37 2vca s ASN 226 Cb 0.00 -0.50 -0.08 0.00 0.41 0.00 0.00 41.25 41.09 2vca s ASN 226 CO 0.00 0.23 1.38 -1.81 -1.51 0.00 0.00 177.10 175.38 2vca s ASP 227 N -1.68 5.90 -0.12 -1.22 1.01 -1.26 -1.04 116.67 118.27 2vca s ASP 227 Ca 0.15 2.81 -0.21 0.00 0.71 0.00 0.00 52.55 56.01 2vca s ASP 227 Cb -0.10 -2.65 0.05 0.00 1.01 0.00 0.00 42.92 41.23 2vca s ASP 227 CO 0.06 -1.15 0.52 0.54 0.21 0.00 0.00 175.17 175.36 2vca s VAL 228 N -1.24 0.01 0.19 -1.27 0.11 -1.26 -1.34 120.40 115.61 2vca s VAL 228 Ca 0.62 -0.11 0.05 0.00 -2.93 0.00 0.00 61.98 59.60 2vca s VAL 228 Cb -0.41 -0.79 -0.05 0.00 -1.53 0.00 0.00 36.38 33.60 2vca s VAL 228 CO 0.52 -0.06 -0.07 0.72 -3.33 0.00 0.00 175.10 172.88 2vca s PHE 229 N -0.51 1.48 0.01 1.54 -0.12 0.33 -2.93 117.98 117.77 2vca s PHE 229 Ca -0.06 -0.78 0.03 0.00 -0.05 0.00 0.00 56.93 56.07 2vca s PHE 229 Cb -0.03 -0.79 -0.01 0.00 -0.63 0.00 0.00 43.02 41.56 2vca s PHE 229 CO 0.04 0.09 -0.10 -1.21 -0.05 0.00 0.00 175.22 173.99 2vca s GLU 230 N -3.77 0.79 -0.07 1.99 2.02 -0.37 -0.65 118.70 118.64 2vca s GLU 230 Ca 0.23 -0.47 0.02 0.00 0.02 0.00 0.00 54.97 54.77 2vca s GLU 230 Cb 0.03 -0.75 0.01 0.00 0.10 0.00 0.00 34.13 33.52 2vca s GLU 230 CO 0.05 0.20 -0.13 0.08 0.02 0.00 0.00 175.26 175.48 2vca s VAL 231 N -0.47 1.22 0.28 2.63 1.01 -0.65 -1.27 120.40 123.16 2vca s VAL 231 Ca 0.02 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.27 2vca s VAL 231 Cb -0.05 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.24 2vca s VAL 231 CO 0.00 0.37 0.71 -0.94 0.00 0.00 0.00 175.10 175.24 2vca s SER 232 N 0.62 -0.24 0.20 3.32 1.04 -0.54 -1.30 113.70 116.81 2vca s SER 232 Ca -0.15 -0.65 -0.25 0.00 0.48 0.00 0.00 55.95 55.38 2vca s SER 232 Cb -0.16 0.73 -0.08 0.00 0.10 0.00 0.00 66.02 66.60 2vca s SER 232 CO 0.04 -1.35 0.81 -1.81 0.98 0.00 0.00 173.24 171.91 2vca s ASP 233 N -2.93 7.36 0.28 7.02 1.01 -1.26 -0.53 116.67 127.62 2vca s ASP 233 Ca 0.12 1.67 0.14 0.00 0.71 0.00 0.00 52.55 55.18 2vca s ASP 233 Cb -0.06 -2.51 0.29 0.00 1.01 0.00 0.00 42.92 41.66 2vca s ASP 233 CO 0.07 0.14 1.55 0.77 0.21 0.00 0.00 175.17 177.92 2vca h SER 234 N 4.02 0.00 0.00 0.27 4.64 -1.52 -3.44 113.55 117.53 2vca h SER 234 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2vca h SER 234 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2vca h SER 234 CO 0.66 0.58 0.00 0.61 -0.87 0.00 0.00 176.83 177.81 2vca n GLY 235 N 0.69 1.86 0.59 -0.77 0.00 -1.26 -4.92 105.19 101.38 2vca n GLY 235 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2vca n GLY 235 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2vca n ASP 236 N 0.00 1.58 0.00 1.61 3.85 -1.26 -4.98 116.55 117.35 2vca n ASP 236 Ca 0.00 -3.13 0.00 0.00 -0.71 0.00 0.00 54.79 50.95 2vca n ASP 236 Cb 0.00 -0.42 0.00 0.00 -1.35 0.00 0.00 41.12 39.35 2vca n ASP 236 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2vca n GLY 237 N -0.81 0.74 3.97 6.12 0.00 -1.26 -5.06 105.19 108.89 2vca n GLY 237 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 2vca n GLY 237 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vca s LYS 238 N -0.56 3.19 -0.26 1.61 1.02 -1.26 -4.89 119.74 118.59 2vca s LYS 238 Ca 0.00 -0.95 -0.09 0.00 0.02 0.00 0.00 55.97 54.95 2vca s LYS 238 Cb 0.00 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 2vca s LYS 238 CO 0.00 0.19 0.12 0.08 -0.92 0.00 0.00 175.35 174.82 2vca s VAL 239 N -2.12 4.69 -0.26 3.17 1.01 0.22 -1.23 120.40 125.88 2vca s VAL 239 Ca 0.41 -0.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.16 2vca s VAL 239 Cb -0.09 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2vca s VAL 239 CO 0.30 0.29 0.44 -0.22 0.00 0.00 0.00 175.10 175.91 2vca s LEU 240 N 1.67 4.06 -0.14 3.92 2.96 0.31 -0.52 118.68 130.93 2vca s LEU 240 Ca 0.06 0.42 0.02 0.00 -0.22 0.00 0.00 54.13 54.41 2vca s LEU 240 Cb -0.16 -2.55 0.02 0.00 0.50 0.00 0.00 46.19 44.00 2vca s LEU 240 CO 0.06 -0.22 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.06 2vca s ILE 241 N 2.11 1.79 0.10 6.68 1.01 0.09 -1.46 121.20 131.51 2vca s ILE 241 Ca 0.18 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 60.07 2vca s ILE 241 Cb -0.16 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 2vca s ILE 241 CO 0.09 0.50 0.05 -0.54 0.00 0.00 0.00 174.94 175.04 2vca s LYS 242 N 1.05 2.72 -0.10 2.79 1.02 -0.40 -1.33 119.74 125.50 2vca s LYS 242 Ca -0.03 -0.79 -0.30 0.00 0.02 0.00 0.00 55.97 54.86 2vca s LYS 242 Cb -0.14 -2.62 0.08 0.00 -0.52 0.00 0.00 37.83 34.63 2vca s LYS 242 CO -0.05 0.54 0.76 0.20 -0.92 0.00 0.00 175.35 175.88 2vca s GLY 243 N -2.47 -0.50 0.45 -3.33 0.00 -0.75 -1.24 107.32 99.49 2vca s GLY 243 Ca 0.28 1.58 0.25 0.00 0.00 0.00 0.00 44.72 46.83 2vca s GLY 243 CO 0.20 1.08 1.85 3.45 0.00 0.00 0.00 173.10 179.69 2vca h ASN 244 N 3.14 0.00 -3.62 1.64 -1.07 -1.67 -1.79 115.58 112.21 2vca h ASN 244 Ca -0.25 0.00 -0.22 0.00 0.07 0.00 0.00 56.30 55.90 2vca h ASN 244 Cb 1.15 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.35 2vca h ASN 244 CO 0.33 0.20 -0.08 -0.46 0.07 0.00 0.00 177.43 177.50 2vca n ASN 245 N -3.39 -1.34 -0.23 6.14 0.23 -1.26 -4.68 115.26 110.72 2vca n ASN 245 Ca 0.00 -2.67 0.01 0.00 -0.53 0.00 0.00 54.58 51.39 2vca n ASN 245 Cb 0.41 2.45 0.13 0.00 -2.08 0.00 0.00 39.78 40.69 2vca n ASN 245 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2vca h GLY 246 N 1.78 0.99 1.40 4.83 0.00 -1.60 -1.21 103.07 109.25 2vca h GLY 246 Ca -0.25 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 2vca h GLY 246 CO 0.34 0.01 -0.25 -0.24 0.00 0.00 0.00 176.54 176.41 2vca h VAL 247 N 0.51 1.27 -0.68 4.60 3.04 -1.36 0.16 116.25 123.79 2vca h VAL 247 Ca 0.34 -1.34 -0.01 0.00 -1.01 0.00 0.00 66.70 64.68 2vca h VAL 247 Cb 0.39 1.27 -0.03 0.00 -2.01 0.00 0.00 31.29 30.91 2vca h VAL 247 CO -0.29 0.44 0.39 0.28 -1.01 0.00 0.00 177.57 177.38 2vca h SER 248 N 0.60 0.84 -0.22 3.17 0.02 -1.74 0.08 113.55 116.29 2vca h SER 248 Ca 0.08 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2vca h SER 248 Cb 0.74 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2vca h SER 248 CO 0.06 0.68 0.11 -0.07 -1.14 0.00 0.00 176.83 176.46 2vca h LEU 249 N 0.93 0.29 -1.13 5.07 3.38 -0.90 -0.83 115.31 122.13 2vca h LEU 249 Ca 0.24 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2vca h LEU 249 Cb 0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2vca h LEU 249 CO -0.04 0.33 -0.29 0.00 0.09 0.00 0.00 178.44 178.53 2vca h ALA 250 N 0.97 1.27 -0.15 1.53 0.00 -0.89 -1.66 119.26 120.34 2vca h ALA 250 Ca 0.08 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 2vca h ALA 250 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2vca h ALA 250 CO -0.01 0.49 -0.39 0.77 0.00 0.00 0.00 179.25 180.12 2vca h SER 251 N 0.22 0.33 -0.31 0.00 0.02 -0.74 -0.92 113.55 112.15 2vca h SER 251 Ca 0.03 -0.14 -0.13 0.00 -0.84 0.00 0.00 61.79 60.72 2vca h SER 251 Cb 0.63 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2vca h SER 251 CO 0.05 0.69 -0.30 1.23 -1.14 0.00 0.00 176.83 177.35 2vca h GLY 252 N 1.16 0.83 0.82 -3.77 0.00 -0.76 0.25 103.07 101.59 2vca h GLY 252 Ca 0.03 -0.84 0.03 0.00 0.00 0.00 0.00 47.33 46.54 2vca h GLY 252 CO 0.06 0.76 0.16 -2.75 0.00 0.00 0.00 176.54 174.77 2vca h PHE 253 N 0.52 0.29 -0.44 5.60 3.57 -1.21 -0.85 116.94 124.41 2vca h PHE 253 Ca 0.05 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2vca h PHE 253 Cb 0.88 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 2vca h PHE 253 CO 0.07 0.15 0.25 -0.97 -2.23 0.00 0.00 178.31 175.58 2vca h ASN 254 N 0.33 0.54 -0.82 0.41 -0.00 -1.11 -1.49 115.58 113.45 2vca h ASN 254 Ca 0.14 -0.07 0.07 0.00 -0.00 0.00 0.00 56.30 56.44 2vca h ASN 254 Cb 0.07 -0.14 -0.06 0.00 -0.00 0.00 0.00 38.32 38.18 2vca h ASN 254 CO -0.11 0.46 0.49 0.22 -0.00 0.00 0.00 177.43 178.49 2vca h TYR 255 N 0.58 0.90 0.09 0.67 3.20 -0.73 -1.00 116.97 120.68 2vca h TYR 255 Ca 0.16 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 2vca h TYR 255 Cb 0.03 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.02 2vca h TYR 255 CO -0.03 0.42 -0.04 -0.92 -1.64 0.00 0.00 178.16 175.96 2vca h TYR 256 N 0.87 -0.11 -0.53 -3.82 3.20 -0.77 -1.56 116.97 114.25 2vca h TYR 256 Ca 0.37 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.30 2vca h TYR 256 Cb 0.24 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 2vca h TYR 256 CO -0.05 0.06 0.23 -0.07 -1.64 0.00 0.00 178.16 176.69 2vca h LEU 257 N -0.26 0.29 -0.21 2.82 3.38 -1.02 0.47 115.31 120.77 2vca h LEU 257 Ca -0.01 0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.79 2vca h LEU 257 Cb 0.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.98 2vca h LEU 257 CO 0.02 0.20 -0.76 0.11 0.09 0.00 0.00 178.44 178.10 2vca h LYS 258 N 0.44 0.74 0.00 1.13 1.57 -1.16 -0.94 116.57 118.35 2vca h LYS 258 Ca 0.25 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2vca h LYS 258 Cb 0.22 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2vca h LYS 258 CO -0.21 1.21 -1.37 0.09 -0.57 0.00 0.00 179.45 178.60 2vca n ASN 259 N -3.92 0.48 0.00 0.86 3.02 -0.59 -4.03 115.26 111.07 2vca n ASN 259 Ca -0.07 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 2vca n ASN 259 Cb 0.73 1.16 0.00 0.00 -0.61 0.00 0.00 39.78 41.06 2vca n ASN 259 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2vca n TYR 260 N -2.21 0.00 0.75 3.10 4.01 0.15 -4.79 117.16 118.16 2vca n TYR 260 Ca -0.01 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 2vca n TYR 260 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.51 2vca n TYR 260 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2vca n ASN 262 N -0.41 -5.53 -4.51 0.00 4.05 -0.68 -4.65 115.26 103.53 2vca n ASN 262 Ca 0.06 -0.66 -0.32 0.00 0.45 0.00 0.00 54.58 54.11 2vca n ASN 262 Cb 0.33 -4.38 -0.12 0.00 1.23 0.00 0.00 39.78 36.84 2vca n ASN 262 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2vca s VAL 263 N -3.30 3.14 -0.09 3.44 1.01 -0.45 -4.50 120.40 119.65 2vca s VAL 263 Ca 0.63 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 2vca s VAL 263 Cb -0.30 -2.32 0.04 0.00 0.00 0.00 0.00 36.38 33.80 2vca s VAL 263 CO 0.77 0.40 0.03 -0.55 0.00 0.00 0.00 175.10 175.76 2vca s SER 264 N -1.30 1.77 -0.31 3.32 0.15 0.02 -3.44 113.70 113.90 2vca s SER 264 Ca 0.15 -0.22 -0.11 0.00 0.70 0.00 0.00 55.95 56.48 2vca s SER 264 Cb -0.11 -0.37 -0.02 0.00 -1.71 0.00 0.00 66.02 63.82 2vca s SER 264 CO 0.05 -0.24 0.18 -0.47 1.20 0.00 0.00 173.24 173.96 2vca s TYR 265 N 2.02 3.19 -0.31 3.44 5.04 -1.26 0.09 117.35 129.56 2vca s TYR 265 Ca 0.04 -0.37 -0.00 0.00 -2.44 0.00 0.00 57.07 54.29 2vca s TYR 265 Cb -0.13 -2.39 0.13 0.00 0.35 0.00 0.00 41.96 39.92 2vca s TYR 265 CO -0.06 -0.38 0.26 1.21 -1.34 0.00 0.00 175.55 175.24 2vca s ASN 266 N 1.66 2.14 0.29 4.32 3.84 -1.25 -5.00 114.94 120.95 2vca s ASN 266 Ca 0.05 -1.20 0.24 0.00 0.21 0.00 0.00 52.86 52.16 2vca s ASN 266 Cb -0.17 0.22 1.06 0.00 -0.55 0.00 0.00 41.25 41.81 2vca s ASN 266 CO 0.08 -0.37 1.71 -0.81 -2.79 0.00 0.00 177.10 174.92 2vca n PRO 267 N 4.95 0.19 -0.10 0.43 -0.04 -1.26 -2.26 135.00 136.90 2vca n PRO 267 Ca 0.01 0.49 -0.12 0.00 -0.04 0.00 0.00 63.50 63.84 2vca n PRO 267 Cb 0.44 -1.91 -0.13 0.00 -0.04 0.00 0.00 33.50 31.86 2vca n PRO 267 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2vca n ILE 268 N -2.28 1.29 -2.18 0.52 5.41 -1.26 -4.75 119.36 116.11 2vca n ILE 268 Ca 0.01 -0.67 -0.06 0.00 1.00 0.00 0.00 62.75 63.03 2vca n ILE 268 Cb 0.18 -0.85 0.08 0.00 -0.71 0.00 0.00 39.64 38.34 2vca n ILE 268 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 2vca n MET 269 N -2.88 2.04 -0.04 0.38 2.81 -1.15 -5.01 117.12 113.28 2vca n MET 269 Ca -0.35 -3.42 0.00 0.00 -1.81 0.00 0.00 57.70 52.12 2vca n MET 269 Cb 1.03 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.98 2vca n MET 269 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2vca n GLY 270 N -0.59 -0.69 3.42 3.03 0.00 -0.96 -4.86 105.19 104.54 2vca n GLY 270 Ca 0.23 -1.16 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 2vca n GLY 270 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vca s SER 271 N -0.40 3.11 -0.26 1.61 0.01 -1.24 -3.83 113.70 112.70 2vca s SER 271 Ca 0.00 -1.05 0.01 0.00 1.31 0.00 0.00 55.95 56.23 2vca s SER 271 Cb 0.00 -0.22 0.07 0.00 0.21 0.00 0.00 66.02 66.07 2vca s SER 271 CO 0.00 -0.09 -0.04 0.21 0.41 0.00 0.00 173.24 173.73 2vca s ASN 272 N -3.43 4.10 -0.03 2.44 2.47 0.11 -4.07 114.94 116.52 2vca s ASN 272 Ca 0.27 -1.37 0.09 0.00 0.42 0.00 0.00 52.86 52.27 2vca s ASN 272 Cb -0.02 -1.29 0.25 0.00 -1.45 0.00 0.00 41.25 38.74 2vca s ASN 272 CO 0.11 -0.26 1.20 0.18 -3.72 0.00 0.00 177.10 174.61 2vca n LEU 273 N 4.58 2.75 -4.58 3.21 4.77 -1.26 -0.80 117.00 125.67 2vca n LEU 273 Ca -0.10 -2.21 -0.41 0.00 -0.03 0.00 0.00 56.01 53.26 2vca n LEU 273 Cb 0.43 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2vca n LEU 273 CO 0.19 0.66 1.48 -0.75 -1.33 0.00 0.00 177.39 177.64 2vca s LYS 274 N -1.38 3.12 0.34 3.23 2.20 -1.26 -4.97 119.74 121.03 2vca s LYS 274 Ca 0.20 0.97 -0.21 0.00 -0.36 0.00 0.00 55.97 56.56 2vca s LYS 274 Cb 0.13 -4.23 -0.10 0.00 -1.51 0.00 0.00 37.83 32.12 2vca s LYS 274 CO 0.09 -2.12 0.87 -1.64 -0.36 0.00 0.00 175.35 172.19 2vca s MET 275 N 6.01 4.31 0.83 4.03 -1.94 -1.26 -4.85 119.30 126.44 2vca s MET 275 Ca 0.70 1.07 -0.13 0.00 -1.71 0.00 0.00 55.69 55.62 2vca s MET 275 Cb -0.16 -2.55 0.08 0.00 2.01 0.00 0.00 34.83 34.20 2vca s MET 275 CO 0.28 0.18 1.06 -2.30 -0.01 0.00 0.00 175.02 174.23 2vca n PRO 276 N 0.05 0.05 -0.27 2.03 -0.02 -1.26 -4.93 135.00 130.65 2vca n PRO 276 Ca 0.03 0.09 -0.07 0.00 -2.02 0.00 0.00 63.50 61.54 2vca n PRO 276 Cb 0.52 -2.32 0.05 0.00 -0.02 0.00 0.00 33.50 31.73 2vca n PRO 276 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2vca h GLU 277 N -1.07 1.16 -6.39 -0.52 3.07 -2.01 -3.40 114.58 105.41 2vca h GLU 277 Ca -0.45 -0.25 -0.69 0.00 -0.50 0.00 0.00 59.36 57.46 2vca h GLU 277 Cb 1.30 -0.17 -0.25 0.00 -0.84 0.00 0.00 28.75 28.79 2vca h GLU 277 CO 0.44 0.99 -0.80 0.99 -1.40 0.00 0.00 179.01 179.22 2vca s THR 278 N -5.41 2.82 -0.08 1.13 2.01 -1.26 -5.09 115.64 109.76 2vca s THR 278 Ca -0.12 -0.82 -0.29 0.00 0.31 0.00 0.00 61.69 60.77 2vca s THR 278 Cb 0.15 -2.08 -0.07 0.00 0.01 0.00 0.00 72.50 70.51 2vca s THR 278 CO 0.84 0.59 2.05 -0.04 -0.69 0.00 0.00 174.62 177.37 2vca s MET 279 N -0.70 3.70 0.46 4.92 -1.94 -1.26 -4.94 119.30 119.55 2vca s MET 279 Ca 0.11 2.31 -0.25 0.00 -1.71 0.00 0.00 55.69 56.15 2vca s MET 279 Cb -0.10 -4.24 -0.08 0.00 2.01 0.00 0.00 34.83 32.42 2vca s MET 279 CO 0.00 -1.45 1.42 -2.14 -0.01 0.00 0.00 175.02 172.84 2vca s PRO 280 N 5.25 3.61 0.36 2.03 0.02 -1.26 -4.98 135.00 140.02 2vca s PRO 280 Ca 0.92 2.40 -0.26 0.00 0.02 0.00 0.00 61.00 64.09 2vca s PRO 280 Cb -0.38 -2.60 -0.09 0.00 0.02 0.00 0.00 34.50 31.45 2vca s PRO 280 CO 0.38 -0.87 1.03 -1.12 -0.33 0.00 0.00 177.00 176.09 2vca s SER 281 N -0.56 7.01 0.02 2.53 0.01 -1.26 -4.99 113.70 116.47 2vca s SER 281 Ca 0.62 2.02 -0.19 0.00 1.31 0.00 0.00 55.95 59.71 2vca s SER 281 Cb -0.43 -2.59 -0.20 0.00 0.21 0.00 0.00 66.02 63.01 2vca s SER 281 CO 0.55 -0.31 1.18 0.58 0.41 0.00 0.00 173.24 175.66 2vca h VAL 282 N 2.47 1.40 0.00 3.43 2.07 -1.94 -3.50 116.25 120.18 2vca h VAL 282 Ca -0.48 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.19 2vca h VAL 282 Cb 1.21 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 2vca h VAL 282 CO 0.64 0.55 0.00 0.61 0.02 0.00 0.00 177.57 179.39 2vca n GLY 283 N 0.79 0.83 3.69 2.17 0.00 -1.26 -4.84 105.19 106.57 2vca n GLY 283 Ca -0.09 -0.73 -0.44 0.00 0.00 0.00 0.00 46.02 44.76 2vca n GLY 283 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2vca n GLU 284 N 10.39 2.46 -1.76 1.61 2.13 -1.26 -4.63 120.64 129.58 2vca n GLU 284 Ca 0.00 0.89 -0.41 0.00 0.66 0.00 0.00 57.16 58.30 2vca n GLU 284 Cb 0.00 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.01 2vca n GLU 284 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 2vca n ARG 285 N 3.80 2.53 -4.99 5.31 1.85 -1.26 -4.92 116.66 118.98 2vca n ARG 285 Ca 0.17 0.89 -0.31 0.00 -1.00 0.00 0.00 57.85 57.59 2vca n ARG 285 Cb 0.32 -2.63 -0.14 0.00 -1.05 0.00 0.00 32.46 28.96 2vca n ARG 285 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2vca s VAL 286 N -1.13 2.51 -0.16 8.89 -7.23 -0.42 -5.00 120.40 117.86 2vca s VAL 286 Ca 0.55 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.66 2vca s VAL 286 Cb -0.48 -1.96 0.03 0.00 0.56 0.00 0.00 36.38 34.53 2vca s VAL 286 CO 0.62 0.50 -0.13 -0.69 -0.31 0.00 0.00 175.10 175.09 2vca s VAL 287 N -0.75 1.56 -0.11 1.32 1.01 -1.26 -1.63 120.40 120.54 2vca s VAL 287 Ca 0.12 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2vca s VAL 287 Cb -0.10 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.76 2vca s VAL 287 CO 0.01 0.36 -0.18 -0.63 0.00 0.00 0.00 175.10 174.67 2vca s ILE 288 N 1.47 1.67 0.44 2.22 -1.09 0.18 -4.99 121.20 121.10 2vca s ILE 288 Ca 0.03 -0.76 0.06 0.00 -2.23 0.00 0.00 60.65 57.75 2vca s ILE 288 Cb -0.14 -1.50 -0.04 0.00 -1.58 0.00 0.00 42.46 39.20 2vca s ILE 288 CO -0.10 0.47 0.15 1.51 -1.23 0.00 0.00 174.94 175.75 2vca s ASP 289 N 0.80 4.32 -0.05 3.58 -4.77 -1.26 -0.52 116.67 118.77 2vca s ASP 289 Ca -0.10 -1.23 0.04 0.00 -3.30 0.00 0.00 52.55 47.96 2vca s ASP 289 Cb -0.16 -0.23 0.00 0.00 -1.09 0.00 0.00 42.92 41.45 2vca s ASP 289 CO 0.01 -0.64 -0.16 0.28 0.70 0.00 0.00 175.17 175.37 2vca s THR 290 N -2.68 1.34 -1.24 2.11 -1.32 -0.45 -4.56 115.64 108.85 2vca s THR 290 Ca 0.34 -0.65 0.22 0.00 -1.21 0.00 0.00 61.69 60.40 2vca s THR 290 Cb 0.04 -1.17 0.30 0.00 -1.51 0.00 0.00 72.50 70.16 2vca s THR 290 CO 0.19 0.39 1.72 -0.81 -2.21 0.00 0.00 174.62 173.91 2vca n PRO 291 N 3.35 0.18 -3.47 7.08 -0.04 -1.26 -4.01 135.00 136.83 2vca n PRO 291 Ca -0.19 0.09 -0.37 0.00 -0.04 0.00 0.00 63.50 62.99 2vca n PRO 291 Cb 0.53 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 2vca n PRO 291 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2vca s TYR 292 N -2.76 3.41 0.22 0.54 2.02 -1.26 -4.97 117.35 114.55 2vca s TYR 292 Ca 0.17 0.58 -0.07 0.00 -0.37 0.00 0.00 57.07 57.38 2vca s TYR 292 Cb 0.15 -2.43 0.20 0.00 -0.40 0.00 0.00 41.96 39.48 2vca s TYR 292 CO 0.37 0.10 1.79 1.49 -1.57 0.00 0.00 175.55 177.72 2vca h GLU 293 N 7.10 1.14 -6.43 -0.62 4.81 -1.80 -3.44 114.58 115.35 2vca h GLU 293 Ca -0.38 -0.21 -0.66 0.00 -0.13 0.00 0.00 59.36 57.97 2vca h GLU 293 Cb 1.16 -0.18 -0.29 0.00 0.63 0.00 0.00 28.75 30.07 2vca h GLU 293 CO 0.73 0.94 -0.87 -1.01 -0.73 0.00 0.00 179.01 178.06 2vca s HIS 294 N -5.49 2.15 -0.26 0.92 3.76 -0.55 -5.00 115.29 110.81 2vca s HIS 294 Ca -0.12 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.41 2vca s HIS 294 Cb 0.16 -1.35 0.06 0.00 1.11 0.00 0.00 32.58 32.56 2vca s HIS 294 CO 0.83 0.01 -0.07 1.03 -0.85 0.00 0.00 174.74 175.70 2vca s ARG 295 N -0.76 1.87 0.02 1.40 0.52 -1.25 -2.39 118.95 118.35 2vca s ARG 295 Ca 0.10 -1.25 -0.06 0.00 -0.52 0.00 0.00 55.73 54.00 2vca s ARG 295 Cb -0.09 -2.77 -0.05 0.00 0.52 0.00 0.00 34.95 32.55 2vca s ARG 295 CO -0.00 -0.63 0.27 -0.47 0.02 0.00 0.00 175.30 174.49 2vca s TYR 296 N 1.21 3.57 0.01 -0.53 5.04 0.11 -1.73 117.35 125.03 2vca s TYR 296 Ca -0.05 0.54 0.02 0.00 -2.44 0.00 0.00 57.07 55.14 2vca s TYR 296 Cb -0.19 -1.97 -0.01 0.00 0.35 0.00 0.00 41.96 40.14 2vca s TYR 296 CO -0.06 0.60 -0.07 0.00 -1.34 0.00 0.00 175.55 174.68 2vca s ALA 297 N -1.33 0.59 0.00 3.97 0.00 -0.15 -0.70 121.76 124.14 2vca s ALA 297 Ca 0.29 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.84 2vca s ALA 297 Cb -0.13 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.88 2vca s ALA 297 CO 0.17 0.11 0.00 1.28 0.00 0.00 0.00 175.76 177.32 2vca n LEU 298 N 2.57 0.00 -4.89 0.00 4.77 -0.37 -2.48 117.00 116.60 2vca n LEU 298 Ca -0.15 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.53 2vca n LEU 298 Cb 0.57 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.62 2vca n LEU 298 CO 0.24 0.00 0.27 0.21 -1.33 0.00 0.00 177.39 176.78 2vca s ASN 299 N 0.00 6.50 0.29 -1.43 3.84 -1.24 -4.67 114.94 118.23 2vca s ASN 299 Ca 0.00 0.87 0.04 0.00 0.21 0.00 0.00 52.86 53.98 2vca s ASN 299 Cb 0.00 -2.21 0.70 0.00 -0.55 0.00 0.00 41.25 39.19 2vca s ASN 299 CO 0.00 -0.23 1.74 -0.26 -2.79 0.00 0.00 177.10 175.57 2vca h PHE 300 N 1.74 0.87 -0.11 0.43 -1.00 -1.93 -1.56 116.94 115.38 2vca h PHE 300 Ca -0.47 0.04 0.03 0.00 2.81 0.00 0.00 57.97 60.37 2vca h PHE 300 Cb 1.19 -0.24 -0.00 0.00 3.61 0.00 0.00 35.95 40.50 2vca h PHE 300 CO 0.59 0.12 0.08 0.00 -1.61 0.00 0.00 178.31 177.49 2vca h THR 302 N 0.00 1.09 0.00 0.00 2.02 -1.01 -0.05 112.91 114.96 2vca h THR 302 Ca 0.05 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.05 2vca h THR 302 Cb 0.20 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2vca h THR 302 CO -0.00 0.09 0.00 -1.22 0.37 0.00 0.00 175.52 174.76 2vca n TYR 303 N -4.48 0.70 -0.03 3.16 4.02 -0.88 -1.21 117.16 118.45 2vca n TYR 303 Ca 0.02 0.31 -0.07 0.00 -0.01 0.00 0.00 57.90 58.15 2vca n TYR 303 Cb 0.07 -1.00 -0.02 0.00 -0.02 0.00 0.00 39.34 38.37 2vca n TYR 303 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2vca n SER 304 N -2.17 1.26 0.24 7.72 7.64 -0.41 -2.29 113.62 125.61 2vca n SER 304 Ca 0.01 0.20 0.10 0.00 1.01 0.00 0.00 58.87 60.19 2vca n SER 304 Cb 0.15 -0.46 0.63 0.00 -1.01 0.00 0.00 64.21 63.52 2vca n SER 304 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 2vca h TYR 305 N -0.43 0.00 0.00 1.43 0.05 -1.17 -3.34 116.97 113.51 2vca h TYR 305 Ca -0.10 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.66 2vca h TYR 305 Cb 0.71 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.45 2vca h TYR 305 CO -0.14 0.17 -0.53 2.41 -1.05 0.00 0.00 178.16 179.02 2vca n THR 306 N -3.80 0.80 1.47 -2.88 -1.04 -0.93 -4.90 114.28 102.99 2vca n THR 306 Ca -0.02 0.21 0.14 0.00 -2.04 0.00 0.00 64.05 62.34 2vca n THR 306 Cb 0.27 -1.61 0.51 0.00 -1.82 0.00 0.00 70.33 67.68 2vca n THR 306 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 2vca n MET 307 N -3.39 1.56 -0.33 -2.82 2.81 -0.35 -4.50 117.12 110.11 2vca n MET 307 Ca -0.03 -0.91 0.11 0.00 -1.81 0.00 0.00 57.70 55.06 2vca n MET 307 Cb 0.25 -1.48 0.23 0.00 -0.71 0.00 0.00 33.22 31.51 2vca n MET 307 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 2vca h SER 308 N 2.22 -0.55 -0.12 7.83 0.02 -1.58 -2.14 113.55 119.23 2vca h SER 308 Ca 0.00 0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 61.18 2vca h SER 308 Cb 0.50 0.49 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 2vca h SER 308 CO 0.00 -0.32 -0.14 0.49 -1.14 0.00 0.00 176.83 175.72 2vca n PHE 309 N -5.49 0.41 -2.12 3.45 3.01 -1.26 -4.89 117.46 110.57 2vca n PHE 309 Ca 0.20 -1.22 -0.40 0.00 1.01 0.00 0.00 57.45 57.03 2vca n PHE 309 Cb 0.65 -0.28 -0.02 0.00 -0.01 0.00 0.00 39.48 39.83 2vca n PHE 309 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2vca s TRP 310 N -3.04 2.99 0.53 1.38 0.52 -0.81 -4.69 118.94 115.83 2vca s TRP 310 Ca 0.38 1.43 0.04 0.00 0.02 0.00 0.00 56.10 57.98 2vca s TRP 310 Cb 0.34 -3.64 0.10 0.00 -1.15 0.00 0.00 33.47 29.12 2vca s TRP 310 CO 0.01 -1.85 0.73 -0.40 0.02 0.00 0.00 176.95 175.46 2vca n ASP 311 N 0.53 1.46 -0.24 2.95 5.68 -1.26 -4.96 116.55 120.72 2vca n ASP 311 Ca 0.01 -2.12 -0.01 0.00 -0.50 0.00 0.00 54.79 52.17 2vca n ASP 311 Cb 0.43 -0.43 0.19 0.00 -1.14 0.00 0.00 41.12 40.17 2vca n ASP 311 CO 0.00 0.00 0.00 -0.25 -1.33 0.00 0.00 177.20 175.62 2vca h TRP 312 N -0.20 1.02 -0.59 2.11 2.91 -1.97 -2.18 115.95 117.05 2vca h TRP 312 Ca -0.24 -0.01 0.10 0.00 1.13 0.00 0.00 58.89 59.86 2vca h TRP 312 Cb 1.02 -0.33 -0.08 0.00 -0.51 0.00 0.00 29.16 29.26 2vca h TRP 312 CO 0.00 0.70 0.18 -0.44 -1.03 0.00 0.00 178.44 177.84 2vca h ASP 313 N 1.05 0.13 -0.40 2.65 3.45 -1.99 0.30 116.42 121.61 2vca h ASP 313 Ca 0.27 0.09 -0.14 0.00 0.43 0.00 0.00 57.03 57.68 2vca h ASP 313 Cb -0.00 0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 2vca h ASP 313 CO -0.05 0.08 -0.31 1.56 -1.57 0.00 0.00 179.24 178.95 2vca h GLN 314 N 0.34 0.92 -0.76 3.56 4.20 -1.88 -2.37 115.11 119.12 2vca h GLN 314 Ca 0.30 -0.45 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 2vca h GLN 314 Cb 0.40 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 2vca h GLN 314 CO -0.33 1.11 0.34 1.88 -0.67 0.00 0.00 178.83 181.16 2vca h TYR 315 N 0.74 1.11 -0.47 2.96 -1.99 -0.88 -1.80 116.97 116.65 2vca h TYR 315 Ca 0.07 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 2vca h TYR 315 Cb 0.90 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 39.26 2vca h TYR 315 CO 0.06 0.83 0.26 1.49 -0.00 0.00 0.00 178.16 180.80 2vca h GLU 316 N 1.08 0.65 -0.60 4.88 4.81 -0.36 -1.36 114.58 123.67 2vca h GLU 316 Ca 0.26 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.46 2vca h GLU 316 Cb 0.15 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 2vca h GLU 316 CO -0.03 0.51 0.34 1.49 -0.73 0.00 0.00 179.01 180.59 2vca h GLU 317 N 0.62 0.63 -0.38 1.92 4.81 -1.30 -1.62 114.58 119.26 2vca h GLU 317 Ca 0.16 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2vca h GLU 317 Cb 0.05 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2vca h GLU 317 CO -0.03 0.42 0.14 0.35 -0.73 0.00 0.00 179.01 179.17 2vca h PHE 318 N 0.65 0.58 -0.45 0.92 3.57 -0.99 -1.54 116.94 119.68 2vca h PHE 318 Ca 0.26 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.63 2vca h PHE 318 Cb 0.11 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 2vca h PHE 318 CO -0.08 0.53 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.42 2vca h LEU 319 N 0.46 0.74 -0.25 0.59 3.38 -1.09 0.11 115.31 119.25 2vca h LEU 319 Ca 0.12 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2vca h LEU 319 Cb 0.20 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2vca h LEU 319 CO -0.01 0.84 0.16 0.44 0.09 0.00 0.00 178.44 179.96 2vca h ASP 320 N 0.71 0.29 -0.75 -0.43 3.32 -1.11 0.04 116.42 118.49 2vca h ASP 320 Ca 0.13 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2vca h ASP 320 Cb 0.50 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 2vca h ASP 320 CO 0.03 0.23 0.47 -0.25 -1.72 0.00 0.00 179.24 178.00 2vca h TRP 321 N 0.33 0.97 0.61 4.55 7.01 -1.01 -1.96 115.95 126.46 2vca h TRP 321 Ca 0.09 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.08 2vca h TRP 321 Cb -0.02 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 26.71 2vca h TRP 321 CO -0.06 0.64 -0.41 0.00 -2.79 0.00 0.00 178.44 175.83 2vca h ALA 323 N -0.70 0.69 -0.02 0.00 0.00 -0.95 0.09 119.26 118.36 2vca h ALA 323 Ca -0.07 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2vca h ALA 323 Cb 0.80 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2vca h ALA 323 CO 0.06 -0.28 -0.12 0.52 0.00 0.00 0.00 179.25 179.42 2vca h MET 324 N 0.29 0.03 -0.64 0.00 2.07 -1.27 -2.02 114.93 113.39 2vca h MET 324 Ca 0.30 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.92 2vca h MET 324 Cb 0.42 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.14 2vca h MET 324 CO -0.36 0.16 0.00 0.09 1.07 0.00 0.00 176.91 177.87 2vca n ASN 325 N -4.37 4.28 0.00 1.22 4.13 -0.36 -4.17 115.26 115.99 2vca n ASN 325 Ca -0.02 -2.47 0.00 0.00 1.68 0.00 0.00 54.58 53.76 2vca n ASN 325 Cb 0.21 -0.56 0.00 0.00 -1.54 0.00 0.00 39.78 37.89 2vca n ASN 325 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2vca n GLY 326 N 0.88 0.86 3.71 7.41 0.00 -0.71 -4.84 105.19 112.51 2vca n GLY 326 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2vca n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vca s VAL 327 N -3.41 2.98 0.00 1.61 1.01 -0.11 -4.59 120.40 117.89 2vca s VAL 327 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2vca s VAL 327 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2vca s VAL 327 CO 0.00 0.04 0.62 -0.46 0.00 0.00 0.00 175.10 175.31 2vca n ASN 328 N 4.21 0.61 -3.56 3.32 0.23 -0.71 -4.32 115.26 115.04 2vca n ASN 328 Ca 0.13 -1.29 -0.15 0.00 -0.53 0.00 0.00 54.58 52.73 2vca n ASN 328 Cb 0.40 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.98 2vca n ASN 328 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 2vca s LEU 329 N -0.29 -0.24 -0.06 -4.53 2.96 -1.03 -0.32 118.68 115.16 2vca s LEU 329 Ca 0.00 0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.12 2vca s LEU 329 Cb 0.00 0.58 0.02 0.00 0.50 0.00 0.00 46.19 47.29 2vca s LEU 329 CO 0.00 -0.28 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.02 2vca s VAL 330 N 2.38 0.59 0.24 1.68 1.01 -0.17 -0.97 120.40 125.16 2vca s VAL 330 Ca 0.05 -0.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.63 2vca s VAL 330 Cb -0.14 -0.65 -0.12 0.00 0.00 0.00 0.00 36.38 35.47 2vca s VAL 330 CO -0.10 0.27 1.58 -0.11 0.00 0.00 0.00 175.10 176.73 2vca n LEU 331 N 4.54 3.81 -3.65 3.92 7.94 -1.04 -0.19 117.00 132.34 2vca n LEU 331 Ca -0.17 1.12 -0.27 0.00 -1.11 0.00 0.00 56.01 55.58 2vca n LEU 331 Cb 0.50 -1.53 -0.16 0.00 0.53 0.00 0.00 43.42 42.76 2vca n LEU 331 CO 0.18 -0.05 -0.34 -0.62 -1.11 0.00 0.00 177.39 175.45 2vca s ASP 332 N 0.66 2.84 0.00 1.96 2.15 -0.09 -4.78 116.67 119.41 2vca s ASP 332 Ca 0.70 -0.86 0.04 0.00 0.43 0.00 0.00 52.55 52.86 2vca s ASP 332 Cb -0.56 -0.42 0.10 0.00 -0.30 0.00 0.00 42.92 41.74 2vca s ASP 332 CO 0.44 -0.35 0.97 2.30 -0.17 0.00 0.00 175.17 178.35 2vca n ILE 333 N 5.17 0.72 -1.68 4.11 -5.35 -1.26 -4.35 119.36 116.72 2vca n ILE 333 Ca -0.07 -0.86 -0.43 0.00 -0.27 0.00 0.00 62.75 61.12 2vca n ILE 333 Cb 0.47 0.66 -0.03 0.00 -1.74 0.00 0.00 39.64 39.00 2vca n ILE 333 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2vca n ILE 334 N -0.00 0.46 -1.03 7.28 5.41 -1.26 -2.15 119.36 128.07 2vca n ILE 334 Ca 0.04 -0.08 -0.01 0.00 1.00 0.00 0.00 62.75 63.70 2vca n ILE 334 Cb 0.26 -2.14 -0.00 0.00 -0.71 0.00 0.00 39.64 37.05 2vca n ILE 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2vca n GLY 335 N 4.30 0.46 0.32 7.39 0.00 -1.25 -4.63 105.19 111.77 2vca n GLY 335 Ca 0.19 -0.17 0.21 0.00 0.00 0.00 0.00 46.02 46.25 2vca n GLY 335 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2vca h GLN 336 N 0.62 0.00 -0.31 1.61 1.08 -1.79 -2.22 115.11 114.10 2vca h GLN 336 Ca -0.02 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 2vca h GLN 336 Cb 0.25 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 2vca h GLN 336 CO 0.03 0.01 0.10 0.93 -0.95 0.00 0.00 178.83 178.95 2vca h GLU 337 N 0.00 0.44 -0.29 1.46 3.07 -1.91 -0.61 114.58 116.74 2vca h GLU 337 Ca -0.00 -0.06 -0.17 0.00 -0.50 0.00 0.00 59.36 58.63 2vca h GLU 337 Cb 0.07 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 27.90 2vca h GLU 337 CO 0.00 0.39 -0.48 1.49 -1.40 0.00 0.00 179.01 179.01 2vca h GLU 338 N 0.44 0.84 -0.37 2.33 4.57 -1.70 -0.76 114.58 119.94 2vca h GLU 338 Ca 0.11 -0.52 0.02 0.00 -1.18 0.00 0.00 59.36 57.79 2vca h GLU 338 Cb 0.13 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 2vca h GLU 338 CO -0.01 1.15 0.22 0.28 -1.18 0.00 0.00 179.01 179.47 2vca h VAL 339 N 0.62 1.04 -0.46 0.32 2.07 -1.47 -1.82 116.25 116.54 2vca h VAL 339 Ca 0.02 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 2vca h VAL 339 Cb 1.09 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2vca h VAL 339 CO 0.11 0.08 0.17 0.25 0.02 0.00 0.00 177.57 178.20 2vca h LEU 340 N 0.44 0.64 -0.17 2.57 6.46 -1.12 -2.02 115.31 122.11 2vca h LEU 340 Ca 0.15 -0.18 0.05 0.00 -0.12 0.00 0.00 57.88 57.78 2vca h LEU 340 Cb 0.01 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 39.72 2vca h LEU 340 CO -0.07 0.65 -0.16 -0.09 -0.62 0.00 0.00 178.44 178.15 2vca h ARG 341 N 0.60 -0.17 -0.41 1.25 2.43 -0.92 0.79 114.38 117.94 2vca h ARG 341 Ca 0.15 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 2vca h ARG 341 Cb 0.21 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2vca h ARG 341 CO -0.01 -0.12 0.01 0.00 -1.51 0.00 0.00 179.97 178.34 2vca h ARG 342 N -0.18 0.66 0.23 0.20 3.08 -1.26 -1.12 114.38 115.99 2vca h ARG 342 Ca 0.11 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2vca h ARG 342 Cb 0.34 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2vca h ARG 342 CO -0.28 0.67 -0.11 1.15 -1.07 0.00 0.00 179.97 180.33 2vca h THR 343 N 0.63 0.83 0.00 2.04 2.02 -0.95 -3.29 112.91 114.19 2vca h THR 343 Ca 0.13 -0.62 -0.07 0.00 0.77 0.00 0.00 66.41 66.62 2vca h THR 343 Cb 0.38 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 2vca h THR 343 CO 0.01 0.13 -0.33 -0.07 0.37 0.00 0.00 175.52 175.64 2vca h LEU 344 N -0.64 0.00 -2.29 2.58 3.38 -0.77 -2.47 115.31 115.11 2vca h LEU 344 Ca -0.03 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2vca h LEU 344 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2vca h LEU 344 CO 0.05 0.33 0.22 0.78 0.09 0.00 0.00 178.44 179.91 2vca h ASN 345 N 0.00 0.00 0.50 -0.43 2.35 -1.27 -1.13 115.58 115.60 2vca h ASN 345 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2vca h ASN 345 Cb 0.81 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.18 2vca h ASN 345 CO 0.04 0.00 -0.44 -0.62 -1.65 0.00 0.00 177.43 174.76 2vca n GLU 346 N -3.42 0.09 -1.61 0.81 -0.58 -0.93 -4.07 120.64 110.94 2vca n GLU 346 Ca 0.00 -0.05 -0.08 0.00 -0.42 0.00 0.00 57.16 56.61 2vca n GLU 346 Cb 0.32 -1.50 0.09 0.00 -0.57 0.00 0.00 31.44 29.78 2vca n GLU 346 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2vca n PHE 347 N -1.41 1.39 -0.62 -0.32 3.72 -0.47 -4.97 117.46 114.78 2vca n PHE 347 Ca 0.06 -1.81 0.00 0.00 -0.05 0.00 0.00 57.45 55.65 2vca n PHE 347 Cb 0.34 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 2vca n PHE 347 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2vca n GLY 348 N -0.72 0.67 3.68 1.37 0.00 -1.20 -4.76 105.19 104.24 2vca n GLY 348 Ca 0.27 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2vca n GLY 348 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2vca s TYR 349 N -2.00 3.34 0.90 1.61 2.02 -0.92 -5.04 117.35 117.26 2vca s TYR 349 Ca 0.00 0.28 -0.12 0.00 -0.37 0.00 0.00 57.07 56.86 2vca s TYR 349 Cb 0.00 -2.26 0.13 0.00 -0.40 0.00 0.00 41.96 39.43 2vca s TYR 349 CO 0.00 0.11 1.13 -1.54 -1.57 0.00 0.00 175.55 173.68 2vca s SER 350 N 0.90 3.59 0.26 2.29 1.04 -1.26 -3.90 113.70 116.61 2vca s SER 350 Ca 0.09 1.04 -0.04 0.00 0.48 0.00 0.00 55.95 57.52 2vca s SER 350 Cb -0.13 -1.65 0.32 0.00 0.10 0.00 0.00 66.02 64.66 2vca s SER 350 CO 0.03 -2.51 1.84 0.44 0.98 0.00 0.00 173.24 174.03 2vca h ASP 351 N -1.47 0.94 -0.88 7.02 3.32 -1.99 -1.90 116.42 121.46 2vca h ASP 351 Ca -0.50 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.40 2vca h ASP 351 Cb 1.32 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.59 2vca h ASP 351 CO 0.61 0.82 0.45 -0.08 -1.72 0.00 0.00 179.24 179.32 2vca h GLU 352 N 1.01 1.25 -0.34 3.56 4.57 -1.99 -1.31 114.58 121.32 2vca h GLU 352 Ca 0.24 -0.17 -0.14 0.00 -1.18 0.00 0.00 59.36 58.12 2vca h GLU 352 Cb 0.17 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 2vca h GLU 352 CO -0.02 0.93 -0.34 0.93 -1.18 0.00 0.00 179.01 179.33 2vca h GLU 353 N 1.24 0.77 -0.59 1.92 5.08 -1.88 -2.34 114.58 118.79 2vca h GLU 353 Ca 0.31 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2vca h GLU 353 Cb 0.07 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2vca h GLU 353 CO -0.04 0.99 0.38 0.28 -1.00 0.00 0.00 179.01 179.62 2vca h VAL 354 N 0.65 1.12 -0.39 3.13 2.07 -1.08 -1.86 116.25 119.88 2vca h VAL 354 Ca 0.07 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2vca h VAL 354 Cb 0.88 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2vca h VAL 354 CO 0.08 0.14 0.16 0.11 0.02 0.00 0.00 177.57 178.08 2vca h LYS 355 N 0.77 0.55 -0.09 1.57 1.57 -1.06 -1.16 116.57 118.73 2vca h LYS 355 Ca 0.22 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.78 2vca h LYS 355 Cb -0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 2vca h LYS 355 CO -0.07 0.45 -0.64 0.93 -0.57 0.00 0.00 179.45 179.56 2vca h GLU 356 N 0.55 0.34 -0.03 3.15 5.08 -1.14 -3.29 114.58 119.26 2vca h GLU 356 Ca 0.14 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2vca h GLU 356 Cb 0.10 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2vca h GLU 356 CO -0.02 0.86 -0.02 0.35 -1.00 0.00 0.00 179.01 179.19 2vca h PHE 357 N 0.25 0.07 -3.93 4.33 3.57 -0.84 -3.29 116.94 117.09 2vca h PHE 357 Ca -0.01 -0.02 -0.52 0.00 3.53 0.00 0.00 57.97 60.95 2vca h PHE 357 Cb 1.17 -0.01 0.07 0.00 2.79 0.00 0.00 35.95 39.96 2vca h PHE 357 CO 0.03 0.49 0.58 0.42 -2.23 0.00 0.00 178.31 177.60 2vca s ILE 358 N -4.40 2.82 1.22 1.41 1.01 -0.48 -0.58 121.20 122.19 2vca s ILE 358 Ca -0.15 0.73 -0.20 0.00 0.00 0.00 0.00 60.65 61.03 2vca s ILE 358 Cb 0.02 -3.43 0.30 0.00 0.01 0.00 0.00 42.46 39.36 2vca s ILE 358 CO 0.69 0.11 1.13 -0.94 0.00 0.00 0.00 174.94 175.93 2vca s SER 359 N -0.82 0.82 0.88 3.58 1.04 -1.26 -3.49 113.70 114.45 2vca s SER 359 Ca 0.55 0.50 -0.14 0.00 0.48 0.00 0.00 55.95 57.34 2vca s SER 359 Cb -0.36 -0.64 0.14 0.00 0.10 0.00 0.00 66.02 65.26 2vca s SER 359 CO 0.46 -4.17 1.25 -0.83 0.98 0.00 0.00 173.24 170.93 2vca s GLY 360 N -4.07 1.68 0.43 7.32 0.00 -0.08 -4.33 107.32 108.27 2vca s GLY 360 Ca 0.72 -0.92 0.30 0.00 0.00 0.00 0.00 44.72 44.82 2vca s GLY 360 CO 0.55 -0.29 1.90 -0.56 0.00 0.00 0.00 173.10 174.70 2vca h PRO 361 N -1.34 0.00 -0.21 2.90 0.13 -1.90 -2.25 132.00 129.32 2vca h PRO 361 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2vca h PRO 361 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2vca h PRO 361 CO 0.52 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.29 2vca n ALA 362 N -1.91 2.48 -0.86 -0.56 0.00 -1.26 -4.46 120.51 113.95 2vca n ALA 362 Ca -0.00 -0.71 0.02 0.00 0.00 0.00 0.00 53.44 52.75 2vca n ALA 362 Cb 0.15 -0.98 0.03 0.00 0.00 0.00 0.00 19.45 18.66 2vca n ALA 362 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2vca n TYR 363 N 0.88 0.00 0.27 0.00 4.01 -0.85 -4.72 117.16 116.74 2vca n TYR 363 Ca 0.17 -0.42 0.10 0.00 -0.16 0.00 0.00 57.90 57.60 2vca n TYR 363 Cb 0.47 -0.06 0.70 0.00 -0.31 0.00 0.00 39.34 40.14 2vca n TYR 363 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 2vca h PHE 364 N 0.00 0.00 -0.34 -0.72 0.04 -1.78 -2.09 116.94 112.05 2vca h PHE 364 Ca 0.00 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.83 2vca h PHE 364 Cb 0.90 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.00 2vca h PHE 364 CO 0.02 0.03 -0.02 0.00 -0.60 0.00 0.00 178.31 177.74 2vca h ALA 365 N 1.97 0.29 0.00 2.45 0.00 -1.87 -0.83 119.26 121.26 2vca h ALA 365 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2vca h ALA 365 Cb 0.06 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2vca h ALA 365 CO 0.00 -0.42 -0.98 0.91 0.00 0.00 0.00 179.25 178.76 2vca n TRP 366 N -5.20 0.94 0.05 0.00 8.01 -0.98 -1.98 117.44 118.29 2vca n TRP 366 Ca 0.01 0.27 -0.13 0.00 -1.31 0.00 0.00 57.50 56.35 2vca n TRP 366 Cb 0.18 -0.94 -0.09 0.00 -2.01 0.00 0.00 31.31 28.46 2vca n TRP 366 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.69 177.03 2vca h PHE 367 N 0.00 -0.11 0.00 -5.99 3.57 -1.26 0.12 116.94 113.26 2vca h PHE 367 Ca 0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2vca h PHE 367 Cb 0.98 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 2vca h PHE 367 CO 0.00 0.21 -0.04 1.88 -2.23 0.00 0.00 178.31 178.12 2vca h TYR 368 N -0.44 0.00 -0.30 0.41 0.05 -1.18 -2.30 116.97 113.22 2vca h TYR 368 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2vca h TYR 368 Cb 0.37 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.11 2vca h TYR 368 CO 0.03 0.04 0.00 -1.33 -1.05 0.00 0.00 178.16 175.85 2vca n MET 369 N -3.14 1.74 -2.79 4.88 2.81 -0.84 -4.84 117.12 114.95 2vca n MET 369 Ca 0.01 -1.10 -0.17 0.00 -1.81 0.00 0.00 57.70 54.64 2vca n MET 369 Cb 0.39 -1.26 0.02 0.00 -0.71 0.00 0.00 33.22 31.66 2vca n MET 369 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2vca n GLN 370 N 0.38 -3.52 -0.06 0.03 6.02 -0.86 -4.54 117.38 114.82 2vca n GLN 370 Ca 0.10 0.69 -0.01 0.00 -0.01 0.00 0.00 57.00 57.77 2vca n GLN 370 Cb 0.27 -5.08 -0.15 0.00 1.02 0.00 0.00 30.24 26.30 2vca n GLN 370 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2vca n ASN 371 N -1.41 0.39 -3.46 1.08 3.02 0.38 -4.37 115.26 110.89 2vca n ASN 371 Ca -0.09 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.33 2vca n ASN 371 Cb 0.59 1.36 -0.03 0.00 -0.61 0.00 0.00 39.78 41.09 2vca n ASN 371 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vca s MET 372 N -2.84 1.23 0.04 3.52 0.23 -1.06 -4.17 119.30 116.25 2vca s MET 372 Ca -0.08 -0.44 -0.01 0.00 -1.03 0.00 0.00 55.69 54.12 2vca s MET 372 Cb 0.09 0.56 -0.03 0.00 -1.53 0.00 0.00 34.83 33.92 2vca s MET 372 CO 0.80 -0.52 -0.02 0.95 -2.03 0.00 0.00 175.02 174.19 2vca s THR 373 N -3.53 0.19 0.00 3.16 -4.23 -1.26 -4.10 115.64 105.87 2vca s THR 373 Ca 0.00 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 2vca s THR 373 Cb -0.01 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.62 2vca s THR 373 CO -0.11 -0.87 0.00 0.61 -0.54 0.00 0.00 174.62 173.71 2vca n GLY 374 N 0.46 0.79 3.68 3.99 0.00 0.25 -4.82 105.19 109.54 2vca n GLY 374 Ca -0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.40 2vca n GLY 374 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2vca n PHE 375 N 0.00 2.36 0.00 1.61 -0.00 -1.26 -1.41 117.46 118.76 2vca n PHE 375 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.45 57.55 2vca n PHE 375 Cb 0.00 -2.62 0.00 0.00 -0.00 0.00 0.00 39.48 36.86 2vca n PHE 375 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2vca n GLY 376 N 3.89 3.29 0.70 7.13 0.00 -1.26 -0.90 105.19 118.04 2vca n GLY 376 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 2vca n GLY 376 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vca n GLY 377 N -2.00 0.09 3.77 -0.02 0.00 -0.50 -4.06 105.19 102.47 2vca n GLY 377 Ca 0.00 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.76 2vca n GLY 377 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2vca s PRO 378 N -3.09 4.57 0.68 1.61 0.02 -1.26 -4.90 135.00 132.63 2vca s PRO 378 Ca 0.13 1.54 -0.17 0.00 0.02 0.00 0.00 61.00 62.52 2vca s PRO 378 Cb -0.01 -2.97 -0.00 0.00 0.02 0.00 0.00 34.50 31.55 2vca s PRO 378 CO 0.09 0.23 1.16 1.28 -0.33 0.00 0.00 177.00 179.42 2vca n LEU 379 N 0.82 4.96 -4.80 -5.54 4.32 -1.26 -5.02 117.00 110.48 2vca n LEU 379 Ca 0.01 0.76 -0.31 0.00 -0.02 0.00 0.00 56.01 56.45 2vca n LEU 379 Cb 0.48 -1.49 0.06 0.00 -1.62 0.00 0.00 43.42 40.85 2vca n LEU 379 CO 0.48 -1.44 0.71 -2.16 -1.22 0.00 0.00 177.39 173.76 2vca s PRO 380 N -3.35 2.71 0.38 3.23 0.04 -1.26 -4.95 135.00 131.80 2vca s PRO 380 Ca 0.79 1.01 0.06 0.00 0.04 0.00 0.00 61.00 62.90 2vca s PRO 380 Cb -0.37 -1.96 0.78 0.00 0.04 0.00 0.00 34.50 32.99 2vca s PRO 380 CO 0.44 -1.28 2.02 -0.91 0.04 0.00 0.00 177.00 177.32 2vca h ASN 381 N -0.85 0.58 0.68 6.66 2.35 -1.97 -2.23 115.58 120.80 2vca h ASN 381 Ca -0.44 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 2vca h ASN 381 Cb 1.22 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2vca h ASN 381 CO 0.55 0.41 0.00 0.44 -1.65 0.00 0.00 177.43 177.18 2vca h ASP 382 N 0.68 0.00 -0.38 5.81 3.45 -2.01 -3.31 116.42 120.66 2vca h ASP 382 Ca 0.21 0.00 0.08 0.00 0.43 0.00 0.00 57.03 57.75 2vca h ASP 382 Cb 0.01 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 38.71 2vca h ASP 382 CO -0.05 0.00 -0.09 -0.25 -1.57 0.00 0.00 179.24 177.28 2vca h TRP 383 N 0.00 -0.19 -0.15 4.55 2.91 -1.77 -3.11 115.95 118.19 2vca h TRP 383 Ca 0.00 0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.07 2vca h TRP 383 Cb 0.34 0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.12 2vca h TRP 383 CO 0.00 -0.16 0.05 0.74 -1.03 0.00 0.00 178.44 178.05 2vca h PHE 384 N 0.01 0.10 -0.56 2.65 0.04 -1.78 -1.66 116.94 115.73 2vca h PHE 384 Ca 0.18 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.89 2vca h PHE 384 Cb 0.28 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 2vca h PHE 384 CO -0.34 0.05 0.09 1.05 -0.60 0.00 0.00 178.31 178.56 2vca h GLU 385 N 0.13 0.93 -0.56 1.51 4.11 -1.82 -2.52 114.58 116.35 2vca h GLU 385 Ca 0.06 -0.25 -0.09 0.00 0.07 0.00 0.00 59.36 59.15 2vca h GLU 385 Cb 0.03 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2vca h GLU 385 CO -0.06 0.89 0.01 1.96 0.07 0.00 0.00 179.01 181.88 2vca h GLN 386 N 0.82 0.96 0.08 1.06 4.20 -1.40 -1.62 115.11 119.22 2vca h GLN 386 Ca 0.17 -0.28 -0.25 0.00 0.06 0.00 0.00 58.65 58.34 2vca h GLN 386 Cb 0.42 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2vca h GLN 386 CO 0.01 0.94 -1.13 0.00 -0.67 0.00 0.00 178.83 177.98 2vca h ARG 387 N 0.89 0.28 -0.81 1.46 2.47 -1.35 -1.86 114.38 115.45 2vca h ARG 387 Ca 0.16 -0.42 -0.04 0.00 -1.26 0.00 0.00 59.98 58.43 2vca h ARG 387 Cb 0.51 0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.94 2vca h ARG 387 CO 0.02 1.16 0.36 0.00 0.56 0.00 0.00 179.97 182.08 2vca h ALA 388 N 0.67 1.05 -0.29 0.04 0.00 -1.37 0.12 119.26 119.49 2vca h ALA 388 Ca -0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2vca h ALA 388 Cb 1.83 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2vca h ALA 388 CO 0.19 0.65 0.09 1.49 0.00 0.00 0.00 179.25 181.66 2vca h GLU 389 N 1.17 0.44 -0.73 0.00 4.57 -1.29 -1.61 114.58 117.13 2vca h GLU 389 Ca 0.28 -0.10 0.02 0.00 -1.18 0.00 0.00 59.36 58.38 2vca h GLU 389 Cb 0.17 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.65 2vca h GLU 389 CO -0.03 0.50 0.47 1.25 -1.18 0.00 0.00 179.01 180.03 2vca h LEU 390 N 0.30 0.80 -0.79 1.64 5.85 -1.13 -0.38 115.31 121.60 2vca h LEU 390 Ca 0.09 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2vca h LEU 390 Cb 0.25 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 2vca h LEU 390 CO -0.00 0.57 0.48 1.23 -0.34 0.00 0.00 178.44 180.37 2vca h GLY 391 N 0.95 1.15 0.94 3.75 0.00 -0.88 -0.93 103.07 108.06 2vca h GLY 391 Ca 0.28 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 2vca h GLY 391 CO -0.08 0.47 0.08 3.21 0.00 0.00 0.00 176.54 180.21 2vca h ARG 392 N 1.09 0.68 -0.72 4.80 3.08 -0.89 -1.86 114.38 120.55 2vca h ARG 392 Ca 0.28 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 60.18 2vca h ARG 392 Cb -0.04 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 2vca h ARG 392 CO -0.05 0.71 0.46 -0.22 -1.07 0.00 0.00 179.97 179.80 2vca h LYS 393 N 0.53 0.89 -0.65 0.04 3.64 -0.89 -2.17 116.57 117.96 2vca h LYS 393 Ca 0.13 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2vca h LYS 393 Cb 0.35 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2vca h LYS 393 CO 0.01 0.59 0.36 1.98 -2.27 0.00 0.00 179.45 180.11 2vca h MET 394 N 0.91 0.90 -0.18 1.90 4.05 -1.02 -2.85 114.93 118.64 2vca h MET 394 Ca 0.28 -0.10 -0.09 0.00 -0.28 0.00 0.00 59.70 59.51 2vca h MET 394 Cb -0.02 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.59 2vca h MET 394 CO -0.10 0.67 -0.29 0.45 0.23 0.00 0.00 176.91 177.87 2vca h HIS 395 N 0.88 0.39 -0.04 1.39 3.86 -0.94 0.79 115.15 121.48 2vca h HIS 395 Ca 0.23 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2vca h HIS 395 Cb 0.03 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 2vca h HIS 395 CO -0.01 0.61 0.02 0.22 0.86 0.00 0.00 177.93 179.63 2vca h ASP 396 N 0.31 0.04 -0.45 2.45 3.58 -1.35 -0.04 116.42 120.96 2vca h ASP 396 Ca 0.04 -0.05 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 2vca h ASP 396 Cb 0.68 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.70 2vca h ASP 396 CO 0.05 0.08 -0.13 -0.09 -2.88 0.00 0.00 179.24 176.28 2vca h ARG 397 N 0.00 0.93 -0.73 0.28 9.65 -1.24 -2.05 114.38 121.21 2vca h ARG 397 Ca 0.01 -0.34 -0.06 0.00 -1.10 0.00 0.00 59.98 58.50 2vca h ARG 397 Cb 0.05 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 2vca h ARG 397 CO -0.00 0.99 0.24 0.52 2.80 0.00 0.00 179.97 184.52 2vca h MET 398 N 0.82 1.13 -0.34 0.20 2.86 -0.81 -2.45 114.93 116.34 2vca h MET 398 Ca 0.13 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2vca h MET 398 Cb 0.66 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 2vca h MET 398 CO 0.05 0.96 0.20 0.37 1.06 0.00 0.00 176.91 179.55 2vca h GLN 399 N 1.08 0.40 -0.63 1.72 4.15 -0.80 0.19 115.11 121.22 2vca h GLN 399 Ca 0.24 -0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.73 2vca h GLN 399 Cb 0.30 -0.09 -0.07 0.00 0.21 0.00 0.00 27.48 27.82 2vca h GLN 399 CO -0.01 0.26 0.24 0.77 -1.93 0.00 0.00 178.83 178.16 2vca h SER 400 N 0.41 0.24 1.40 -0.69 0.02 -1.15 -2.65 113.55 111.13 2vca h SER 400 Ca 0.14 0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 61.06 2vca h SER 400 Cb 0.00 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2vca h SER 400 CO -0.06 0.14 -0.61 -0.26 -1.14 0.00 0.00 176.83 174.89 2vca h PHE 401 N 0.42 0.00 0.00 3.45 0.04 -1.20 -3.39 116.94 116.26 2vca h PHE 401 Ca 0.32 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.09 2vca h PHE 401 Cb 0.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.55 2vca h PHE 401 CO -0.16 0.45 0.00 0.41 -0.60 0.00 0.00 178.31 178.41 2vca n GLY 402 N 1.24 0.94 3.66 -1.45 0.00 0.44 -1.00 105.19 109.01 2vca n GLY 402 Ca 0.00 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 2vca n GLY 402 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vca s ILE 403 N -2.00 5.10 -0.26 -0.61 1.01 0.20 -4.86 121.20 119.78 2vca s ILE 403 Ca 0.00 0.95 -0.27 0.00 0.00 0.00 0.00 60.65 61.33 2vca s ILE 403 Cb 0.00 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.64 2vca s ILE 403 CO 0.00 0.16 0.96 0.20 0.00 0.00 0.00 174.94 176.26 2vca s ASN 404 N 1.21 6.94 0.49 3.58 0.01 0.56 -4.42 114.94 123.31 2vca s ASN 404 Ca 0.24 1.13 -0.19 0.00 -0.71 0.00 0.00 52.86 53.32 2vca s ASN 404 Cb -0.15 -2.49 -0.08 0.00 0.41 0.00 0.00 41.25 38.93 2vca s ASN 404 CO 0.09 -0.66 1.02 -2.16 -1.51 0.00 0.00 177.10 173.89 2vca s PRO 405 N 3.15 3.81 -0.40 -0.60 0.04 -1.26 -1.00 135.00 138.75 2vca s PRO 405 Ca 0.40 1.27 -0.13 0.00 0.04 0.00 0.00 61.00 62.59 2vca s PRO 405 Cb -0.14 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.33 2vca s PRO 405 CO 0.09 -0.41 0.26 0.08 0.04 0.00 0.00 177.00 177.06 2vca s VAL 406 N -2.13 4.87 0.00 -0.36 1.01 0.74 -4.47 120.40 120.05 2vca s VAL 406 Ca 0.65 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2vca s VAL 406 Cb -0.15 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2vca s VAL 406 CO 0.22 -0.31 0.00 0.18 0.00 0.00 0.00 175.10 175.19 2vca n LEU 407 N 5.07 0.00 -4.85 3.92 4.77 -0.32 -0.91 117.00 124.68 2vca n LEU 407 Ca -0.11 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.50 2vca n LEU 407 Cb 0.46 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 2vca n LEU 407 CO 0.39 -0.34 0.10 -1.10 -1.33 0.00 0.00 177.39 175.12 2vca s GLN 408 N -1.40 3.85 0.57 3.23 -1.52 -1.26 0.24 119.66 123.36 2vca s GLN 408 Ca 0.00 0.30 0.08 0.00 -1.95 0.00 0.00 55.36 53.79 2vca s GLN 408 Cb 0.00 -3.08 0.08 0.00 -0.22 0.00 0.00 33.01 29.79 2vca s GLN 408 CO 0.00 0.61 0.79 0.20 -0.25 0.00 0.00 175.29 176.63 2vca s GLY 409 N -1.47 1.77 -0.07 3.09 0.00 -0.25 -4.58 107.32 105.80 2vca s GLY 409 Ca 0.30 -2.00 0.02 0.00 0.00 0.00 0.00 44.72 43.04 2vca s GLY 409 CO 0.16 -1.57 -0.14 -0.47 0.00 0.00 0.00 173.10 171.08 2vca s TYR 410 N -2.69 1.64 0.00 1.90 5.04 -1.26 -4.74 117.35 117.24 2vca s TYR 410 Ca 0.61 -0.63 0.00 0.00 -2.44 0.00 0.00 57.07 54.61 2vca s TYR 410 Cb -0.06 -1.18 0.00 0.00 0.35 0.00 0.00 41.96 41.07 2vca s TYR 410 CO 0.39 -0.31 0.36 -1.13 -1.34 0.00 0.00 175.55 173.51 2vca n SER 411 N 3.82 0.71 0.00 4.32 3.41 -1.26 -4.91 113.62 119.71 2vca n SER 411 Ca -0.22 -0.87 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 2vca n SER 411 Cb 0.52 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 2vca n SER 411 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2vca n GLY 412 N 0.24 1.22 3.71 5.00 0.00 -1.26 -4.81 105.19 109.28 2vca n GLY 412 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2vca n GLY 412 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2vca s MET 413 N 0.00 4.15 0.06 1.61 -2.45 -1.26 0.33 119.30 121.73 2vca s MET 413 Ca 0.00 2.55 -0.08 0.00 -1.25 0.00 0.00 55.69 56.91 2vca s MET 413 Cb 0.00 -3.33 -0.00 0.00 1.25 0.00 0.00 34.83 32.75 2vca s MET 413 CO 0.00 -0.77 0.16 0.14 1.05 0.00 0.00 175.02 175.60 2vca s VAL 414 N 1.90 0.13 0.94 10.11 -7.23 -0.75 -4.90 120.40 120.61 2vca s VAL 414 Ca 0.77 -1.09 -0.10 0.00 -1.81 0.00 0.00 61.98 59.74 2vca s VAL 414 Cb -0.47 -1.10 0.16 0.00 0.56 0.00 0.00 36.38 35.53 2vca s VAL 414 CO 0.34 -0.60 1.13 -2.84 -0.31 0.00 0.00 175.10 172.81 2vca s PRO 415 N -3.14 0.78 0.56 4.82 0.02 -1.26 -0.81 135.00 135.97 2vca s PRO 415 Ca -0.01 1.44 0.36 0.00 0.02 0.00 0.00 61.00 62.82 2vca s PRO 415 Cb 0.02 -1.71 1.68 0.00 0.02 0.00 0.00 34.50 34.51 2vca s PRO 415 CO -0.07 -2.76 2.08 0.00 -0.33 0.00 0.00 177.00 175.92 2vca h ARG 416 N -1.96 0.00 -0.63 5.54 3.08 -1.92 -2.59 114.38 115.90 2vca h ARG 416 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2vca h ARG 416 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2vca h ARG 416 CO 0.43 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 178.93 2vca n ASP 417 N -3.00 5.01 -0.26 7.04 5.75 -1.26 -4.60 116.55 125.24 2vca n ASP 417 Ca -0.01 -2.67 -0.06 0.00 -0.01 0.00 0.00 54.79 52.05 2vca n ASP 417 Cb 0.22 -0.63 0.05 0.00 -1.03 0.00 0.00 41.12 39.73 2vca n ASP 417 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2vca h PHE 418 N 3.77 0.98 -0.43 2.11 3.57 -1.82 -2.44 116.94 122.69 2vca h PHE 418 Ca 0.00 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.39 2vca h PHE 418 Cb 1.66 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 40.07 2vca h PHE 418 CO 0.89 0.69 -0.08 0.87 -2.23 0.00 0.00 178.31 178.46 2vca h LYS 419 N 0.98 0.75 -0.92 1.11 1.57 -1.81 0.25 116.57 118.51 2vca h LYS 419 Ca 0.25 -0.23 0.12 0.00 -1.87 0.00 0.00 60.65 58.93 2vca h LYS 419 Cb 0.03 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.19 2vca h LYS 419 CO -0.04 0.81 0.54 0.93 -0.57 0.00 0.00 179.45 181.12 2vca h GLU 420 N 0.69 0.82 0.00 3.15 5.08 -1.76 -2.19 114.58 120.36 2vca h GLU 420 Ca 0.12 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2vca h GLU 420 Cb 0.53 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2vca h GLU 420 CO 0.03 0.54 -1.16 1.63 -1.00 0.00 0.00 179.01 179.05 2vca n LYS 421 N -4.72 0.61 -3.51 2.33 5.02 -1.03 -4.59 118.16 112.27 2vca n LYS 421 Ca 0.17 0.16 -0.28 0.00 -2.02 0.00 0.00 58.31 56.35 2vca n LYS 421 Cb 0.36 -1.82 -0.11 0.00 -0.02 0.00 0.00 35.03 33.44 2vca n LYS 421 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2vca s ASN 422 N -5.53 2.45 0.55 4.39 0.01 0.86 -4.87 114.94 112.82 2vca s ASN 422 Ca -0.01 -2.91 0.27 0.00 -0.71 0.00 0.00 52.86 49.49 2vca s ASN 422 Cb 0.09 -0.65 1.61 0.00 0.41 0.00 0.00 41.25 42.71 2vca s ASN 422 CO 0.80 -0.20 2.18 1.56 -1.51 0.00 0.00 177.10 179.92 2vca h GLN 423 N 6.05 0.00 -0.00 -0.60 4.20 -1.66 -0.92 115.11 122.17 2vca h GLN 423 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2vca h GLN 423 Cb 0.91 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.69 2vca h GLN 423 CO 0.40 0.05 -0.20 0.39 -0.67 0.00 0.00 178.83 178.80 2vca n GLU 424 N -3.89 0.24 -2.22 1.46 1.02 -1.26 -4.89 120.64 111.11 2vca n GLU 424 Ca -0.03 -0.09 -0.40 0.00 -0.02 0.00 0.00 57.16 56.63 2vca n GLU 424 Cb 0.14 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 2vca n GLU 424 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2vca s ALA 425 N -2.82 3.38 -0.18 0.62 0.00 -0.35 -4.27 121.76 118.14 2vca s ALA 425 Ca 0.18 1.12 -0.05 0.00 0.00 0.00 0.00 51.96 53.21 2vca s ALA 425 Cb 0.19 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 2vca s ALA 425 CO 0.57 -0.54 -0.01 -0.65 0.00 0.00 0.00 175.76 175.13 2vca s GLN 426 N -1.88 3.66 0.17 0.00 -1.52 -1.26 -4.86 119.66 113.97 2vca s GLN 426 Ca 0.51 -0.51 0.06 0.00 -1.95 0.00 0.00 55.36 53.46 2vca s GLN 426 Cb -0.36 -3.03 -0.05 0.00 -0.22 0.00 0.00 33.01 29.36 2vca s GLN 426 CO 0.47 0.11 -0.11 0.95 -0.25 0.00 0.00 175.29 176.46 2vca s THR 427 N 0.73 1.38 -0.18 -0.19 -4.23 -1.26 -1.06 115.64 110.83 2vca s THR 427 Ca -0.00 -2.12 0.01 0.00 -1.18 0.00 0.00 61.69 58.40 2vca s THR 427 Cb -0.14 -1.95 0.02 0.00 1.34 0.00 0.00 72.50 71.77 2vca s THR 427 CO 0.02 -0.67 -0.17 -0.63 -0.54 0.00 0.00 174.62 172.63 2vca s ILE 428 N -3.20 1.91 0.19 2.99 1.01 0.13 -4.81 121.20 119.42 2vca s ILE 428 Ca 0.19 -0.89 -0.31 0.00 0.00 0.00 0.00 60.65 59.64 2vca s ILE 428 Cb 0.01 -1.76 -0.11 0.00 0.01 0.00 0.00 42.46 40.62 2vca s ILE 428 CO 0.03 0.47 1.59 -0.55 0.00 0.00 0.00 174.94 176.49 2vca s SER 429 N 1.34 6.53 0.00 3.58 0.15 -1.26 -1.75 113.70 122.29 2vca s SER 429 Ca 0.04 2.70 0.24 0.00 0.70 0.00 0.00 55.95 59.63 2vca s SER 429 Cb -0.13 -2.60 0.23 0.00 -1.71 0.00 0.00 66.02 61.80 2vca s SER 429 CO -0.12 -0.85 1.25 0.00 1.20 0.00 0.00 173.24 174.72 2vca n GLN 430 N 3.72 1.44 0.00 5.44 1.13 -1.26 -4.56 117.38 123.29 2vca n GLN 430 Ca 0.13 -1.13 0.00 0.00 -1.94 0.00 0.00 57.00 54.06 2vca n GLN 430 Cb 0.38 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.25 2vca n GLN 430 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2vca n GLY 431 N 1.38 0.57 3.73 1.08 0.00 -1.26 -3.82 105.19 106.86 2vca n GLY 431 Ca 0.11 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 2vca n GLY 431 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vca s GLY 432 N -0.65 1.59 -0.10 -0.02 0.00 -1.26 -1.17 107.32 105.71 2vca s GLY 432 Ca 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 44.72 43.22 2vca s GLY 432 CO 0.00 -1.52 0.06 0.86 0.00 0.00 0.00 173.10 172.51 2vca s TRP 433 N -2.09 0.20 -1.65 1.90 -0.00 0.07 -4.77 118.94 112.61 2vca s TRP 433 Ca 0.31 -0.03 -0.16 0.00 -0.00 0.00 0.00 56.10 56.22 2vca s TRP 433 Cb -0.08 -0.61 0.13 0.00 -0.00 0.00 0.00 33.47 32.92 2vca s TRP 433 CO 0.22 -0.33 0.79 0.00 -0.00 0.00 0.00 176.95 177.62 2vca n GLY 435 N -1.51 1.72 3.83 0.00 0.00 -1.26 -4.12 105.19 103.85 2vca n GLY 435 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2vca n GLY 435 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2vca s PHE 436 N -3.64 3.65 -0.21 1.61 0.08 0.86 -4.79 117.98 115.55 2vca s PHE 436 Ca 0.00 1.15 -0.29 0.00 0.12 0.00 0.00 56.93 57.90 2vca s PHE 436 Cb 0.00 -2.43 -0.02 0.00 -0.57 0.00 0.00 43.02 40.01 2vca s PHE 436 CO 0.00 0.45 1.43 -0.51 -0.10 0.00 0.00 175.22 176.49 2vca s ASP 437 N -1.58 6.65 0.53 1.36 1.01 -1.26 -0.75 116.67 122.63 2vca s ASP 437 Ca 0.36 1.57 -0.20 0.00 0.71 0.00 0.00 52.55 55.00 2vca s ASP 437 Cb -0.16 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.17 2vca s ASP 437 CO 0.19 -1.04 1.14 -0.13 0.21 0.00 0.00 175.17 175.54 2vca s ARG 438 N 4.14 3.39 0.94 8.23 0.52 -0.32 -4.04 118.95 131.82 2vca s ARG 438 Ca 0.62 1.65 -0.11 0.00 -0.52 0.00 0.00 55.73 57.37 2vca s ARG 438 Cb -0.22 -2.06 0.16 0.00 0.52 0.00 0.00 34.95 33.35 2vca s ARG 438 CO 0.24 -0.82 1.09 -1.25 0.02 0.00 0.00 175.30 174.57 2vca s PRO 439 N -3.20 0.84 0.90 3.54 0.04 -1.26 -4.69 135.00 131.17 2vca s PRO 439 Ca 0.72 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 62.60 2vca s PRO 439 Cb -0.25 -1.75 0.13 0.00 0.04 0.00 0.00 34.50 32.67 2vca s PRO 439 CO 0.28 -2.57 1.11 -0.51 0.04 0.00 0.00 177.00 175.36 2vca s ASP 440 N -3.12 3.53 -0.10 6.66 1.11 0.01 -4.24 116.67 120.52 2vca s ASP 440 Ca 0.65 1.17 0.01 0.00 0.18 0.00 0.00 52.55 54.56 2vca s ASP 440 Cb -0.20 -1.82 0.02 0.00 1.07 0.00 0.00 42.92 41.99 2vca s ASP 440 CO 0.58 -2.56 -0.11 -0.32 1.18 0.00 0.00 175.17 173.94 2vca s MET 441 N -5.13 1.78 0.31 8.23 -2.45 -0.72 -1.80 119.30 119.52 2vca s MET 441 Ca 0.63 -0.40 -0.30 0.00 -1.25 0.00 0.00 55.69 54.38 2vca s MET 441 Cb -0.16 -1.62 -0.12 0.00 1.25 0.00 0.00 34.83 34.19 2vca s MET 441 CO 0.55 -0.12 1.50 1.28 1.05 0.00 0.00 175.02 179.29 2vca n LEU 442 N 4.36 4.10 -4.68 4.11 4.32 0.15 0.20 117.00 129.57 2vca n LEU 442 Ca -0.18 1.17 -0.44 0.00 -0.02 0.00 0.00 56.01 56.54 2vca n LEU 442 Cb 0.51 -1.55 -0.04 0.00 -1.62 0.00 0.00 43.42 40.72 2vca n LEU 442 CO 0.22 -0.05 1.45 0.29 -1.22 0.00 0.00 177.39 178.07 2vca n LYS 443 N 1.60 2.59 0.22 3.23 5.02 -0.22 -4.80 118.16 125.79 2vca n LYS 443 Ca 0.07 0.94 0.06 0.00 -2.02 0.00 0.00 58.31 57.36 2vca n LYS 443 Cb 0.36 -2.81 0.49 0.00 -0.02 0.00 0.00 35.03 33.05 2vca n LYS 443 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2vca h THR 444 N 4.72 1.04 -3.95 -0.18 2.02 -1.91 -3.40 112.91 111.26 2vca h THR 444 Ca -0.47 -0.87 -0.13 0.00 0.77 0.00 0.00 66.41 65.71 2vca h THR 444 Cb 1.24 1.49 -0.17 0.00 -1.74 0.00 0.00 68.15 68.97 2vca h THR 444 CO 0.94 0.24 -0.57 -0.72 0.37 0.00 0.00 175.52 175.77 2vca s TYR 445 N -4.34 0.29 0.38 3.16 -0.85 -1.26 -4.84 117.35 109.89 2vca s TYR 445 Ca -0.03 -0.68 0.04 0.00 -0.52 0.00 0.00 57.07 55.88 2vca s TYR 445 Cb 0.14 -0.21 -0.03 0.00 0.38 0.00 0.00 41.96 42.24 2vca s TYR 445 CO 0.68 -0.37 0.12 0.14 -1.52 0.00 0.00 175.55 174.61 2vca s VAL 446 N -2.97 0.65 0.65 -3.49 -7.23 -1.26 -5.09 120.40 101.66 2vca s VAL 446 Ca -0.02 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.03 2vca s VAL 446 Cb 0.01 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.50 2vca s VAL 446 CO -0.06 0.00 1.05 0.20 -0.31 0.00 0.00 175.10 175.98 2vca s ASN 447 N -3.56 5.60 0.28 4.85 0.01 -1.26 -4.97 114.94 115.89 2vca s ASN 447 Ca 0.27 1.66 -0.30 0.00 -0.71 0.00 0.00 52.86 53.78 2vca s ASN 447 Cb 0.04 -2.51 -0.13 0.00 0.41 0.00 0.00 41.25 39.07 2vca s ASN 447 CO 0.15 -1.30 1.45 -0.62 -1.51 0.00 0.00 177.10 175.28 2vca n GLU 448 N -2.72 2.29 0.00 -0.60 4.71 -1.26 -1.99 120.64 121.06 2vca n GLU 448 Ca 0.08 0.81 0.00 0.00 -0.01 0.00 0.00 57.16 58.04 2vca n GLU 448 Cb 0.53 -2.50 0.00 0.00 -1.01 0.00 0.00 31.44 28.46 2vca n GLU 448 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2vca n GLY 449 N 1.91 3.37 3.90 0.62 0.00 -1.26 -5.07 105.19 108.67 2vca n GLY 449 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2vca n GLY 449 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vca s GLU 450 N -0.96 3.60 0.18 1.61 2.02 -0.84 -5.08 118.70 119.23 2vca s GLU 450 Ca 0.00 -0.13 -0.30 0.00 0.02 0.00 0.00 54.97 54.56 2vca s GLU 450 Cb 0.00 -2.85 -0.08 0.00 0.10 0.00 0.00 34.13 31.30 2vca s GLU 450 CO 0.00 0.46 1.08 0.00 0.02 0.00 0.00 175.26 176.83 2vca s ALA 451 N -1.68 3.36 -0.87 5.21 0.00 -1.26 -4.86 121.76 121.66 2vca s ALA 451 Ca 0.41 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 2vca s ALA 451 Cb -0.12 -3.34 0.23 0.00 0.00 0.00 0.00 23.12 19.89 2vca s ALA 451 CO 0.25 -0.17 0.81 0.34 0.00 0.00 0.00 175.76 176.99 2vca s ASP 452 N -0.22 6.68 0.48 0.00 -1.08 -1.26 -4.60 116.67 116.68 2vca s ASP 452 Ca 0.48 -2.95 0.27 0.00 -0.52 0.00 0.00 52.55 49.84 2vca s ASP 452 Cb -0.29 -2.16 0.93 0.00 -1.46 0.00 0.00 42.92 39.94 2vca s ASP 452 CO 0.35 -0.47 1.82 1.88 0.52 0.00 0.00 175.17 179.27 2vca h TYR 453 N 7.38 0.00 -0.29 -5.34 -1.99 -1.89 -2.76 116.97 112.08 2vca h TYR 453 Ca 0.11 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.86 2vca h TYR 453 Cb 0.99 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.69 2vca h TYR 453 CO 0.93 0.10 0.14 0.35 -0.00 0.00 0.00 178.16 179.68 2vca h PHE 454 N 0.00 0.26 -0.51 4.88 3.57 -1.90 0.11 116.94 123.35 2vca h PHE 454 Ca -0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2vca h PHE 454 Cb 0.75 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 2vca h PHE 454 CO 0.00 0.14 0.27 1.96 -2.23 0.00 0.00 178.31 178.45 2vca h GLN 455 N 0.30 0.72 0.35 1.11 1.08 -1.84 -0.52 115.11 116.30 2vca h GLN 455 Ca 0.12 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2vca h GLN 455 Cb 0.04 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 2vca h GLN 455 CO -0.08 0.58 -0.17 0.87 -0.95 0.00 0.00 178.83 179.08 2vca h LYS 456 N 0.68 -0.45 -0.27 1.46 1.57 -1.24 -1.93 116.57 116.39 2vca h LYS 456 Ca 0.18 0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.80 2vca h LYS 456 Cb 0.08 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2vca h LYS 456 CO -0.03 -0.29 -0.56 0.28 -0.57 0.00 0.00 179.45 178.29 2vca h VAL 457 N -0.48 1.28 -0.51 0.50 2.07 -0.77 -2.60 116.25 115.75 2vca h VAL 457 Ca -0.05 -1.75 0.03 0.00 0.82 0.00 0.00 66.70 65.75 2vca h VAL 457 Cb 0.36 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 2vca h VAL 457 CO 0.08 0.57 0.30 0.00 0.02 0.00 0.00 177.57 178.53 2vca h ALA 458 N 0.73 0.65 -0.40 1.67 0.00 -1.12 0.44 119.26 121.23 2vca h ALA 458 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2vca h ALA 458 Cb 1.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2vca h ALA 458 CO 0.12 -0.01 0.26 -0.44 0.00 0.00 0.00 179.25 179.18 2vca h ASP 459 N 0.59 0.46 -0.43 0.00 3.32 -1.30 -1.71 116.42 117.35 2vca h ASP 459 Ca 0.21 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 2vca h ASP 459 Cb 0.04 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2vca h ASP 459 CO -0.10 0.35 0.08 0.58 -1.72 0.00 0.00 179.24 178.42 2vca h VAL 460 N 0.54 1.24 -0.16 -1.35 2.07 -1.15 -2.80 116.25 114.63 2vca h VAL 460 Ca 0.15 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 66.84 2vca h VAL 460 Cb -0.05 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 2vca h VAL 460 CO -0.03 0.30 -0.08 0.15 0.02 0.00 0.00 177.57 177.93 2vca h PHE 461 N 0.57 -0.19 0.00 1.57 3.57 0.18 0.05 116.94 122.69 2vca h PHE 461 Ca 0.13 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 2vca h PHE 461 Cb 0.36 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 2vca h PHE 461 CO 0.02 -0.13 -0.19 1.88 -2.23 0.00 0.00 178.31 177.67 2vca h TYR 462 N -0.06 0.00 0.12 0.41 0.05 -1.35 -1.02 116.97 115.12 2vca h TYR 462 Ca 0.09 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.57 2vca h TYR 462 Cb 0.20 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.93 2vca h TYR 462 CO -0.22 0.19 -1.52 0.93 -1.05 0.00 0.00 178.16 176.49 2vca h GLU 463 N 0.00 0.26 -0.17 4.88 5.08 -1.19 -3.06 114.58 120.38 2vca h GLU 463 Ca -0.00 -0.45 -0.14 0.00 -1.00 0.00 0.00 59.36 57.76 2vca h GLU 463 Cb 0.62 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2vca h GLU 463 CO 0.02 1.14 -0.50 0.87 -1.00 0.00 0.00 179.01 179.54 2vca h LYS 464 N 0.07 0.47 -0.61 2.33 1.79 -0.73 -1.92 116.57 117.97 2vca h LYS 464 Ca -0.24 -0.28 -0.03 0.00 -2.18 0.00 0.00 60.65 57.93 2vca h LYS 464 Cb 2.02 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 32.67 2vca h LYS 464 CO 0.17 0.87 0.27 0.37 -1.08 0.00 0.00 179.45 180.05 2vca h GLN 465 N 0.37 0.88 -0.42 3.15 4.15 -1.29 -2.14 115.11 119.82 2vca h GLN 465 Ca 0.02 -0.14 0.05 0.00 0.77 0.00 0.00 58.65 59.35 2vca h GLN 465 Cb 1.01 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.50 2vca h GLN 465 CO 0.09 0.73 0.14 0.87 -1.93 0.00 0.00 178.83 178.73 2vca h LYS 466 N 0.83 0.30 -0.08 1.69 1.57 -1.46 -2.03 116.57 117.39 2vca h LYS 466 Ca 0.21 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 2vca h LYS 466 Cb 0.15 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2vca h LYS 466 CO -0.02 0.20 -0.04 0.93 -0.57 0.00 0.00 179.45 179.94 2vca h GLU 467 N 0.31 0.11 0.16 3.15 5.08 -0.96 0.43 114.58 122.85 2vca h GLU 467 Ca 0.19 -0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 58.18 2vca h GLU 467 Cb 0.18 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2vca h GLU 467 CO -0.20 0.16 -1.89 0.28 -1.00 0.00 0.00 179.01 176.36 2vca h VAL 468 N 0.11 0.77 0.00 3.13 2.07 -1.24 0.15 116.25 121.23 2vca h VAL 468 Ca 0.03 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.13 2vca h VAL 468 Cb 0.15 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2vca h VAL 468 CO 0.01 0.89 -0.42 0.49 0.02 0.00 0.00 177.57 178.55 2vca n PHE 469 N -3.54 0.00 -4.05 1.57 3.72 -0.78 -4.31 117.46 110.07 2vca n PHE 469 Ca -0.29 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.12 2vca n PHE 469 Cb 1.06 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.60 2vca n PHE 469 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2vca n GLY 470 N 1.59 -1.86 3.56 1.37 0.00 0.15 -4.55 105.19 105.45 2vca n GLY 470 Ca 0.00 -1.34 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 2vca n GLY 470 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2vca s ASP 471 N -3.96 6.87 -0.01 1.61 1.11 -1.26 -4.64 116.67 116.39 2vca s ASP 471 Ca 0.00 -2.52 0.20 0.00 0.18 0.00 0.00 52.55 50.41 2vca s ASP 471 Cb 0.00 -2.55 -0.24 0.00 1.07 0.00 0.00 42.92 41.20 2vca s ASP 471 CO 0.00 -1.10 0.77 1.33 1.18 0.00 0.00 175.17 177.35 2vca n VAL 472 N 6.10 0.00 -3.46 -1.27 0.24 -1.26 -5.03 118.33 113.65 2vca n VAL 472 Ca 0.46 -0.11 -0.11 0.00 -2.04 0.00 0.00 64.34 62.54 2vca n VAL 472 Cb 0.46 0.81 -0.02 0.00 -1.47 0.00 0.00 33.84 33.61 2vca n VAL 472 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2vca s THR 473 N -3.00 0.00 -2.06 3.34 -1.32 -1.26 -4.70 115.64 106.63 2vca s THR 473 Ca 0.05 -0.07 0.18 0.00 -1.21 0.00 0.00 61.69 60.63 2vca s THR 473 Cb 0.15 -1.08 0.24 0.00 -1.51 0.00 0.00 72.50 70.30 2vca s THR 473 CO 0.83 0.00 1.17 0.59 -2.21 0.00 0.00 174.62 175.00 2vca n ASN 474 N -0.38 2.79 -4.50 8.08 5.03 -1.26 -4.98 115.26 120.04 2vca n ASN 474 Ca -0.15 -1.82 -0.36 0.00 0.87 0.00 0.00 54.58 53.11 2vca n ASN 474 Cb 0.64 -0.10 -0.12 0.00 -1.02 0.00 0.00 39.78 39.18 2vca n ASN 474 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2vca s PHE 475 N -1.37 3.12 -0.05 3.10 0.08 -1.26 0.17 117.98 121.77 2vca s PHE 475 Ca 0.26 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 57.05 2vca s PHE 475 Cb 0.16 -2.17 0.01 0.00 -0.57 0.00 0.00 43.02 40.45 2vca s PHE 475 CO 0.24 -0.20 -0.09 0.71 -0.10 0.00 0.00 175.22 175.77 2vca s TYR 476 N 1.19 1.13 -0.12 0.36 2.02 -0.79 -1.17 117.35 119.97 2vca s TYR 476 Ca 0.04 -0.36 -0.00 0.00 -0.37 0.00 0.00 57.07 56.38 2vca s TYR 476 Cb -0.14 -0.85 -0.02 0.00 -0.40 0.00 0.00 41.96 40.54 2vca s TYR 476 CO 0.03 -0.20 -0.10 0.20 -1.57 0.00 0.00 175.55 173.91 2vca s GLY 477 N 0.58 1.61 -0.15 0.71 0.00 0.14 -0.49 107.32 109.72 2vca s GLY 477 Ca -0.10 -0.88 -0.25 0.00 0.00 0.00 0.00 44.72 43.48 2vca s GLY 477 CO 0.02 -0.30 0.63 0.54 0.00 0.00 0.00 173.10 173.99 2vca s VAL 478 N 0.05 0.01 -0.40 1.40 0.11 -1.24 -1.09 120.40 119.23 2vca s VAL 478 Ca -0.03 -0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.01 2vca s VAL 478 Cb -0.14 -0.92 0.16 0.00 -1.53 0.00 0.00 36.38 33.96 2vca s VAL 478 CO 0.04 -0.02 0.33 -1.81 -3.33 0.00 0.00 175.10 170.30 2vca s ASP 479 N -0.42 1.60 0.65 3.54 1.11 -1.26 -4.76 116.67 117.12 2vca s ASP 479 Ca -0.06 -2.76 -0.17 0.00 0.18 0.00 0.00 52.55 49.74 2vca s ASP 479 Cb -0.03 -0.28 -0.01 0.00 1.07 0.00 0.00 42.92 43.68 2vca s ASP 479 CO 0.05 -0.20 1.20 -2.16 1.18 0.00 0.00 175.17 175.24 2vca s PRO 480 N 0.37 2.65 -1.51 8.23 0.04 -1.26 -3.47 135.00 140.05 2vca s PRO 480 Ca 0.29 1.77 -0.06 0.00 0.04 0.00 0.00 61.00 63.04 2vca s PRO 480 Cb -0.03 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.63 2vca s PRO 480 CO -0.14 -1.44 0.76 1.19 0.04 0.00 0.00 177.00 177.41 2vca n PHE 481 N -2.07 -2.22 -2.59 0.56 3.72 -1.26 -4.94 117.46 108.67 2vca n PHE 481 Ca 0.13 0.66 -0.43 0.00 -0.05 0.00 0.00 57.45 57.76 2vca n PHE 481 Cb 0.50 -4.64 -0.02 0.00 -0.94 0.00 0.00 39.48 34.38 2vca n PHE 481 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2vca s HIS 482 N -3.22 3.07 -1.46 1.38 2.46 -1.23 -3.46 115.29 112.83 2vca s HIS 482 Ca 0.38 1.16 -0.09 0.00 0.47 0.00 0.00 55.06 56.98 2vca s HIS 482 Cb -0.17 -3.66 0.04 0.00 -0.13 0.00 0.00 32.58 28.66 2vca s HIS 482 CO 0.47 -0.97 0.82 0.39 -2.47 0.00 0.00 174.74 172.98 2vca n GLU 483 N 6.86 -5.54 0.00 2.88 1.02 -1.26 -4.71 120.64 119.88 2vca n GLU 483 Ca 0.13 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 2vca n GLU 483 Cb 0.47 -5.63 0.00 0.00 -0.02 0.00 0.00 31.44 26.25 2vca n GLU 483 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2vca n GLY 484 N -1.62 0.36 4.79 0.62 0.00 -1.22 -4.98 105.19 103.13 2vca n GLY 484 Ca -0.03 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2vca n GLY 484 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vca n GLY 485 N 0.00 -1.25 3.55 -0.02 0.00 -1.25 -4.32 105.19 101.90 2vca n GLY 485 Ca 0.00 -1.48 -0.05 0.00 0.00 0.00 0.00 46.02 44.49 2vca n GLY 485 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2vca s ASN 486 N -4.00 -0.89 0.00 1.61 3.84 -1.26 -4.87 114.94 109.37 2vca s ASN 486 Ca 0.00 1.40 0.29 0.00 0.21 0.00 0.00 52.86 54.76 2vca s ASN 486 Cb 0.00 1.67 1.33 0.00 -0.55 0.00 0.00 41.25 43.70 2vca s ASN 486 CO 0.00 -0.23 1.91 0.35 -2.79 0.00 0.00 177.10 176.35 2vca n THR 487 N 4.90 0.00 -0.23 -5.21 -2.24 -1.26 -4.88 114.28 105.35 2vca n THR 487 Ca -0.16 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2vca n THR 487 Cb 0.53 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 2vca n THR 487 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vca n GLY 488 N 1.22 3.33 0.36 3.38 0.00 -1.26 -1.72 105.19 110.50 2vca n GLY 488 Ca 0.17 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.24 2vca n GLY 488 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vca n ASP 489 N 3.85 1.19 -4.84 1.61 8.00 -1.26 -4.99 116.55 120.11 2vca n ASP 489 Ca 0.00 -1.27 -0.32 0.00 0.71 0.00 0.00 54.79 53.91 2vca n ASP 489 Cb 0.00 0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.07 2vca n ASP 489 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2vca s LEU 490 N -2.13 3.81 -0.14 0.64 1.43 -0.70 -5.02 118.68 116.57 2vca s LEU 490 Ca 0.36 1.49 -0.29 0.00 -1.03 0.00 0.00 54.13 54.65 2vca s LEU 490 Cb 0.21 -4.38 -0.01 0.00 0.03 0.00 0.00 46.19 42.04 2vca s LEU 490 CO 0.38 -0.44 1.04 -0.62 0.23 0.00 0.00 176.35 176.95 2vca s ASP 491 N -2.72 7.18 0.15 2.29 -1.08 -1.26 -4.98 116.67 116.26 2vca s ASP 491 Ca 0.58 1.52 -0.17 0.00 -0.52 0.00 0.00 52.55 53.96 2vca s ASP 491 Cb -0.10 -2.55 0.05 0.00 -1.46 0.00 0.00 42.92 38.86 2vca s ASP 491 CO 0.24 -0.53 1.72 0.78 0.52 0.00 0.00 175.17 177.90 2vca h ASN 492 N 7.25 -0.06 -0.34 -0.34 2.35 -1.94 -1.86 115.58 120.63 2vca h ASN 492 Ca -0.28 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 2vca h ASN 492 Cb 1.12 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.58 2vca h ASN 492 CO 0.89 0.00 0.16 1.23 -1.65 0.00 0.00 177.43 178.06 2vca h GLY 493 N 0.13 0.53 1.08 2.83 0.00 -1.76 -2.99 103.07 102.89 2vca h GLY 493 Ca 0.15 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.22 2vca h GLY 493 CO -0.23 0.26 0.61 1.70 0.00 0.00 0.00 176.54 178.88 2vca h LYS 494 N 0.41 1.20 -0.24 4.80 3.64 -1.83 -1.81 116.57 122.74 2vca h LYS 494 Ca 0.12 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 2vca h LYS 494 Cb 0.14 -0.27 -0.06 0.00 -0.41 0.00 0.00 32.23 31.63 2vca h LYS 494 CO -0.01 0.79 -0.13 0.82 -2.27 0.00 0.00 179.45 178.65 2vca h ILE 495 N 1.24 0.61 -0.08 2.00 2.04 -1.20 -1.80 117.51 120.31 2vca h ILE 495 Ca 0.34 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 66.09 2vca h ILE 495 Cb -0.12 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 2vca h ILE 495 CO -0.08 0.00 -0.47 1.88 0.00 0.00 0.00 178.15 179.48 2vca h TYR 496 N -0.11 0.23 -0.18 1.37 -1.99 -1.40 -2.21 116.97 112.69 2vca h TYR 496 Ca 0.13 -0.07 -0.00 0.00 2.00 0.00 0.00 58.73 60.79 2vca h TYR 496 Cb 0.30 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 38.97 2vca h TYR 496 CO -0.30 0.63 0.11 1.49 -0.00 0.00 0.00 178.16 180.09 2vca h GLU 497 N 0.16 0.24 -0.22 4.88 4.81 -1.03 -2.41 114.58 121.01 2vca h GLU 497 Ca 0.01 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.03 2vca h GLU 497 Cb 0.89 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.22 2vca h GLU 497 CO 0.07 0.20 -0.62 0.82 -0.73 0.00 0.00 179.01 178.75 2vca h ILE 498 N 0.22 1.29 -0.20 2.32 2.04 -1.18 -0.77 117.51 121.22 2vca h ILE 498 Ca 0.06 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 64.10 2vca h ILE 498 Cb 0.02 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2vca h ILE 498 CO -0.01 0.59 0.13 0.40 0.00 0.00 0.00 178.15 179.25 2vca h ILE 499 N 0.58 1.06 -0.35 -0.67 2.04 -1.45 -0.49 117.51 118.22 2vca h ILE 499 Ca -0.01 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2vca h ILE 499 Cb 1.22 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 2vca h ILE 499 CO 0.13 0.05 0.17 -0.61 0.00 0.00 0.00 178.15 177.89 2vca h GLN 500 N 0.26 0.51 -0.58 2.37 4.15 -1.37 -1.54 115.11 118.91 2vca h GLN 500 Ca 0.07 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.43 2vca h GLN 500 Cb -0.02 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 2vca h GLN 500 CO -0.02 0.45 0.38 -0.91 -1.93 0.00 0.00 178.83 176.81 2vca h ASN 501 N 0.43 0.65 -0.61 -0.69 2.35 -1.03 -0.33 115.58 116.36 2vca h ASN 501 Ca 0.12 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.88 2vca h ASN 501 Cb 0.12 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 2vca h ASN 501 CO -0.02 0.47 0.38 0.50 -1.65 0.00 0.00 177.43 177.11 2vca h LYS 502 N 0.77 0.73 -0.36 0.81 1.63 -0.99 -0.98 116.57 118.19 2vca h LYS 502 Ca 0.22 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 2vca h LYS 502 Cb -0.07 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.38 2vca h LYS 502 CO -0.06 0.48 0.23 1.98 -3.45 0.00 0.00 179.45 178.63 2vca h MET 503 N 0.75 0.48 -0.03 1.90 4.05 -0.68 -2.85 114.93 118.55 2vca h MET 503 Ca 0.24 -0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.54 2vca h MET 503 Cb -0.00 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.68 2vca h MET 503 CO -0.09 0.35 -0.38 0.82 0.23 0.00 0.00 176.91 177.84 2vca h ILE 504 N 0.48 1.28 -0.99 1.77 2.04 -0.91 -2.51 117.51 118.67 2vca h ILE 504 Ca 0.13 -1.35 0.10 0.00 1.00 0.00 0.00 64.86 64.74 2vca h ILE 504 Cb -0.02 1.69 -0.08 0.00 -0.74 0.00 0.00 36.82 37.67 2vca h ILE 504 CO -0.03 0.39 0.62 -0.08 0.00 0.00 0.00 178.15 179.06 2vca h GLU 505 N 0.05 1.02 0.00 2.37 4.81 -0.94 -2.45 114.58 119.43 2vca h GLU 505 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2vca h GLU 505 Cb 0.70 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2vca h GLU 505 CO 0.05 0.67 -0.73 0.72 -0.73 0.00 0.00 179.01 178.99 2vca n HIS 506 N -4.59 0.20 -3.28 0.92 8.25 -1.05 -4.72 115.22 110.96 2vca n HIS 506 Ca 0.17 0.06 -0.06 0.00 -0.26 0.00 0.00 57.72 57.63 2vca n HIS 506 Cb 0.28 -0.38 -0.05 0.00 1.12 0.00 0.00 29.99 30.96 2vca n HIS 506 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2vca s ASP 507 N -3.55 -0.12 0.60 0.41 3.68 -0.97 -5.04 116.67 111.68 2vca s ASP 507 Ca 0.07 -0.01 0.31 0.00 2.13 0.00 0.00 52.55 55.05 2vca s ASP 507 Cb 0.16 1.35 1.83 0.00 -1.45 0.00 0.00 42.92 44.80 2vca s ASP 507 CO 0.75 -0.32 2.21 -1.13 0.13 0.00 0.00 175.17 176.80 2vca h ASN 508 N 8.13 0.00 -0.66 -0.34 -1.24 -1.73 -0.48 115.58 119.25 2vca h ASN 508 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.89 2vca h ASN 508 Cb 1.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.19 2vca h ASN 508 CO 0.25 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 176.86 2vca n ASP 509 N -3.73 4.24 -4.72 1.15 8.00 -1.26 -4.99 116.55 115.25 2vca n ASP 509 Ca -0.01 -2.25 -0.42 0.00 0.71 0.00 0.00 54.79 52.82 2vca n ASP 509 Cb 0.17 -0.53 -0.01 0.00 -0.02 0.00 0.00 41.12 40.74 2vca n ASP 509 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vca n ALA 510 N 1.29 1.56 -3.99 2.24 0.00 -0.19 -4.84 120.51 116.58 2vca n ALA 510 Ca 0.24 0.36 -0.30 0.00 0.00 0.00 0.00 53.44 53.74 2vca n ALA 510 Cb 0.75 -2.30 -0.16 0.00 0.00 0.00 0.00 19.45 17.74 2vca n ALA 510 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2vca s VAL 511 N -1.04 1.56 -0.42 0.00 1.01 0.13 -4.70 120.40 116.94 2vca s VAL 511 Ca 0.55 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 61.43 2vca s VAL 511 Cb -0.55 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.28 2vca s VAL 511 CO 0.62 0.28 1.08 0.86 0.00 0.00 0.00 175.10 177.94 2vca s TRP 512 N 1.45 2.94 -0.29 5.22 -0.00 -0.67 -1.89 118.94 125.70 2vca s TRP 512 Ca 0.01 0.81 -0.23 0.00 -0.00 0.00 0.00 56.10 56.70 2vca s TRP 512 Cb -0.15 -4.12 -0.00 0.00 -0.00 0.00 0.00 33.47 29.20 2vca s TRP 512 CO -0.09 -1.08 0.75 0.08 -0.00 0.00 0.00 176.95 176.61 2vca s VAL 513 N 4.08 4.84 -0.09 5.86 1.01 0.36 -0.68 120.40 135.78 2vca s VAL 513 Ca 0.45 1.18 0.04 0.00 0.00 0.00 0.00 61.98 63.65 2vca s VAL 513 Cb -0.09 -4.10 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 2vca s VAL 513 CO 0.26 -0.18 -0.23 -0.63 0.00 0.00 0.00 175.10 174.31 2vca s ILE 514 N 2.84 2.13 0.12 2.22 1.01 0.16 -3.58 121.20 126.10 2vca s ILE 514 Ca 0.31 -1.00 -0.30 0.00 0.00 0.00 0.00 60.65 59.66 2vca s ILE 514 Cb -0.15 -1.81 -0.06 0.00 0.01 0.00 0.00 42.46 40.45 2vca s ILE 514 CO 0.11 0.56 1.01 -1.10 0.00 0.00 0.00 174.94 175.52 2vca s GLN 515 N 0.24 4.66 -0.44 2.79 -0.21 -1.26 0.45 119.66 125.89 2vca s GLN 515 Ca -0.15 1.53 -0.13 0.00 0.02 0.00 0.00 55.36 56.63 2vca s GLN 515 Cb -0.17 -3.35 0.07 0.00 1.00 0.00 0.00 33.01 30.55 2vca s GLN 515 CO 0.08 0.16 0.32 1.21 -2.12 0.00 0.00 175.29 174.93 2vca s ASN 516 N 0.03 5.91 -0.07 5.90 2.47 0.85 -4.25 114.94 125.79 2vca s ASN 516 Ca 0.48 -1.32 -0.01 0.00 0.42 0.00 0.00 52.86 52.44 2vca s ASN 516 Cb -0.25 -2.09 0.03 0.00 -1.45 0.00 0.00 41.25 37.48 2vca s ASN 516 CO 0.31 -0.56 -0.02 0.86 -3.72 0.00 0.00 177.10 173.97 2vca s TRP 517 N 1.56 0.77 -1.59 0.43 -0.11 -0.26 -2.73 118.94 117.01 2vca s TRP 517 Ca 0.03 -0.23 -0.14 0.00 1.22 0.00 0.00 56.10 56.98 2vca s TRP 517 Cb -0.23 -0.80 0.11 0.00 -1.50 0.00 0.00 33.47 31.05 2vca s TRP 517 CO 0.05 -0.31 0.86 0.00 -4.62 0.00 0.00 176.95 172.94 2vca n GLN 518 N 4.81 -4.42 -0.82 5.86 10.64 -1.26 -1.86 117.38 130.33 2vca n GLN 518 Ca -0.13 0.50 0.00 0.00 -1.83 0.00 0.00 57.00 55.54 2vca n GLN 518 Cb 0.50 -5.26 0.00 0.00 -0.86 0.00 0.00 30.24 24.62 2vca n GLN 518 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2vca n GLY 519 N -1.59 0.66 3.22 2.61 0.00 -1.26 -5.04 105.19 103.79 2vca n GLY 519 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 2vca n GLY 519 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vca s ASN 520 N -2.21 2.41 0.41 1.61 0.01 -0.78 -3.70 114.94 112.69 2vca s ASN 520 Ca 0.00 -0.37 -0.25 0.00 -0.71 0.00 0.00 52.86 51.52 2vca s ASN 520 Cb 0.00 -0.27 -0.08 0.00 0.41 0.00 0.00 41.25 41.31 2vca s ASN 520 CO 0.00 0.25 1.24 -2.84 -1.51 0.00 0.00 177.10 174.24 2vca s PRO 521 N -0.50 3.97 0.94 -0.60 0.02 -1.26 -1.10 135.00 136.47 2vca s PRO 521 Ca 0.08 1.99 -0.11 0.00 0.02 0.00 0.00 61.00 62.99 2vca s PRO 521 Cb -0.08 -2.69 0.14 0.00 0.02 0.00 0.00 34.50 31.90 2vca s PRO 521 CO -0.01 -0.44 1.04 -1.13 -0.33 0.00 0.00 177.00 176.14 2vca n SER 522 N 0.04 -0.09 -0.34 2.53 3.41 -1.24 -4.73 113.62 113.20 2vca n SER 522 Ca 0.04 0.37 0.25 0.00 -0.26 0.00 0.00 58.87 59.28 2vca n SER 522 Cb 0.45 -1.43 0.54 0.00 -0.26 0.00 0.00 64.21 63.51 2vca n SER 522 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2vca h ASN 523 N -1.91 0.39 -0.01 4.04 -0.26 -1.99 -1.46 115.58 114.39 2vca h ASN 523 Ca -0.44 0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.38 2vca h ASN 523 Cb 1.28 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.56 2vca h ASN 523 CO 0.41 0.04 -0.53 -0.46 -1.06 0.00 0.00 177.43 175.83 2vca n ASN 524 N -4.61 1.13 0.15 5.81 2.04 -1.26 0.59 115.26 119.11 2vca n ASN 524 Ca 0.27 -1.06 -0.14 0.00 -0.44 0.00 0.00 54.58 53.20 2vca n ASN 524 Cb 0.97 0.75 -0.08 0.00 -2.53 0.00 0.00 39.78 38.89 2vca n ASN 524 CO 0.00 0.00 0.00 0.11 -0.44 0.00 0.00 177.26 176.93 2vca h LYS 525 N 0.83 -0.32 -0.31 -3.83 1.57 -1.71 -2.87 116.57 109.93 2vca h LYS 525 Ca 0.00 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 2vca h LYS 525 Cb 0.44 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2vca h LYS 525 CO 0.00 -0.14 -0.19 -0.07 -0.57 0.00 0.00 179.45 178.48 2vca h LEU 526 N -0.42 0.57 -1.76 2.94 3.38 -0.75 -1.17 115.31 118.10 2vca h LEU 526 Ca -0.03 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2vca h LEU 526 Cb 0.32 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2vca h LEU 526 CO 0.06 0.76 0.00 -0.33 0.09 0.00 0.00 178.44 179.02 2vca h GLU 527 N 0.51 0.00 0.00 1.13 5.08 -0.02 -2.16 114.58 119.13 2vca h GLU 527 Ca 0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2vca h GLU 527 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2vca h GLU 527 CO 0.04 0.00 -0.09 0.78 -1.00 0.00 0.00 179.01 178.74 2vca h GLY 528 N 0.76 0.00 -6.91 -3.84 0.00 -1.31 -3.42 103.07 88.35 2vca h GLY 528 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 2vca h GLY 528 CO 0.00 0.00 1.29 1.08 0.00 0.00 0.00 176.54 178.91 2vca s LEU 529 N -6.68 3.50 0.31 3.11 2.01 -0.81 -3.41 118.68 116.70 2vca s LEU 529 Ca -0.01 1.33 0.16 0.00 0.01 0.00 0.00 54.13 55.62 2vca s LEU 529 Cb 0.11 -3.49 0.28 0.00 0.01 0.00 0.00 46.19 43.11 2vca s LEU 529 CO 0.56 -1.74 1.54 0.71 1.01 0.00 0.00 176.35 178.43 2vca h THR 530 N 6.83 0.87 -3.39 5.49 1.35 -1.90 -3.38 112.91 118.78 2vca h THR 530 Ca -0.34 -1.99 -0.68 0.00 -0.55 0.00 0.00 66.41 62.85 2vca h THR 530 Cb 1.17 2.26 -0.37 0.00 -1.73 0.00 0.00 68.15 69.48 2vca h THR 530 CO 1.03 0.46 -0.36 -0.54 -0.25 0.00 0.00 175.52 175.85 2vca s LYS 531 N -3.17 2.66 0.40 4.72 1.02 -1.26 -4.95 119.74 119.16 2vca s LYS 531 Ca 0.03 -2.89 0.08 0.00 0.02 0.00 0.00 55.97 53.21 2vca s LYS 531 Cb 0.09 -3.68 0.84 0.00 -0.52 0.00 0.00 37.83 34.55 2vca s LYS 531 CO 0.72 -1.21 2.00 0.87 -0.92 0.00 0.00 175.35 176.82 2vca h LYS 532 N 6.40 0.41 0.00 1.68 1.57 -1.91 -1.70 116.57 123.02 2vca h LYS 532 Ca 0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2vca h LYS 532 Cb 0.87 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2vca h LYS 532 CO 0.75 0.36 0.00 -0.44 -0.57 0.00 0.00 179.45 179.55 2vca h ASP 533 N 0.41 0.00 -0.32 0.86 3.32 -1.92 -2.54 116.42 116.22 2vca h ASP 533 Ca 0.10 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 2vca h ASP 533 Cb 0.12 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.58 2vca h ASP 533 CO -0.01 0.00 -0.07 0.00 -1.72 0.00 0.00 179.24 177.44 2vca n GLN 534 N -2.35 1.98 -4.39 3.56 6.02 -0.64 -4.89 117.38 116.66 2vca n GLN 534 Ca 0.03 -3.12 -0.26 0.00 -0.01 0.00 0.00 57.00 53.64 2vca n GLN 534 Cb 0.33 -1.81 -0.10 0.00 1.02 0.00 0.00 30.24 29.67 2vca n GLN 534 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2vca s ALA 535 N -3.18 2.72 -0.06 -1.58 0.00 -0.96 -1.67 121.76 117.03 2vca s ALA 535 Ca 0.44 -1.66 -0.03 0.00 0.00 0.00 0.00 51.96 50.71 2vca s ALA 535 Cb 0.39 -0.44 0.04 0.00 0.00 0.00 0.00 23.12 23.11 2vca s ALA 535 CO 0.01 0.39 0.11 1.41 0.00 0.00 0.00 175.76 177.69 2vca s MET 536 N -2.97 -0.01 -0.22 0.00 1.75 0.15 -4.17 119.30 113.83 2vca s MET 536 Ca 0.25 0.46 -0.11 0.00 -1.25 0.00 0.00 55.69 55.03 2vca s MET 536 Cb -0.07 -0.35 -0.05 0.00 2.84 0.00 0.00 34.83 37.20 2vca s MET 536 CO 0.13 -0.30 0.19 0.08 -0.65 0.00 0.00 175.02 174.47 2vca s VAL 537 N 2.08 5.35 -0.46 10.11 1.01 0.06 -0.67 120.40 137.87 2vca s VAL 537 Ca 0.02 0.27 -0.23 0.00 0.00 0.00 0.00 61.98 62.03 2vca s VAL 537 Cb -0.12 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.76 2vca s VAL 537 CO -0.05 0.35 0.81 -0.76 0.00 0.00 0.00 175.10 175.46 2vca s LEU 538 N 0.93 4.23 -0.59 3.92 1.43 0.17 -1.29 118.68 127.47 2vca s LEU 538 Ca 0.09 -0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 52.79 2vca s LEU 538 Cb -0.13 -2.97 -0.00 0.00 0.03 0.00 0.00 46.19 43.12 2vca s LEU 538 CO 0.04 -0.96 1.60 -0.62 0.23 0.00 0.00 176.35 176.64 2vca s ASP 539 N 2.23 5.77 0.32 2.29 3.68 -0.60 -0.10 116.67 130.26 2vca s ASP 539 Ca 0.30 0.28 0.11 0.00 2.13 0.00 0.00 52.55 55.38 2vca s ASP 539 Cb -0.12 -2.54 0.55 0.00 -1.45 0.00 0.00 42.92 39.36 2vca s ASP 539 CO 0.23 -1.99 1.73 0.25 0.13 0.00 0.00 175.17 175.51 2vca h LEU 540 N 14.45 0.02 -4.70 -1.34 5.85 -1.81 -2.78 115.31 125.00 2vca h LEU 540 Ca -0.27 -0.01 -0.41 0.00 0.84 0.00 0.00 57.88 58.03 2vca h LEU 540 Cb 1.12 -0.01 -0.41 0.00 0.37 0.00 0.00 40.66 41.73 2vca h LEU 540 CO 1.20 0.49 -0.98 0.33 -0.34 0.00 0.00 178.44 179.14 2vca n PHE 541 N -3.97 2.03 0.28 1.25 7.35 -1.26 -3.56 117.46 119.57 2vca n PHE 541 Ca -0.02 -2.43 0.15 0.00 -0.76 0.00 0.00 57.45 54.39 2vca n PHE 541 Cb 0.50 -0.27 0.81 0.00 0.35 0.00 0.00 39.48 40.87 2vca n PHE 541 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 2vca h SER 542 N 2.54 0.00 0.43 -2.13 0.02 -1.19 0.26 113.55 113.48 2vca h SER 542 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2vca h SER 542 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2vca h SER 542 CO 0.52 0.08 -0.20 -1.84 -1.14 0.00 0.00 176.83 174.24 2vca n GLU 543 N -3.56 0.52 0.00 3.45 0.00 -1.24 -3.85 120.64 115.97 2vca n GLU 543 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 57.16 56.91 2vca n GLU 543 Cb 0.20 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.15 2vca n GLU 543 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2vca n VAL 544 N -1.04 0.00 -3.21 3.84 0.31 -1.03 -4.97 118.33 112.23 2vca n VAL 544 Ca 0.11 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.21 2vca n VAL 544 Cb 0.31 -0.51 -0.07 0.00 -0.91 0.00 0.00 33.84 32.67 2vca n VAL 544 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2vca n SER 545 N -2.26 0.59 -4.76 4.52 2.88 0.87 -4.85 113.62 110.60 2vca n SER 545 Ca 0.00 -2.79 -0.38 0.00 -1.33 0.00 0.00 58.87 54.36 2vca n SER 545 Cb 0.25 -0.64 0.01 0.00 -0.75 0.00 0.00 64.21 63.09 2vca n SER 545 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2vca s PRO 546 N -1.43 3.54 -0.20 -1.46 0.04 -1.21 -4.50 135.00 129.78 2vca s PRO 546 Ca 0.36 2.08 0.18 0.00 0.04 0.00 0.00 61.00 63.66 2vca s PRO 546 Cb 0.19 -2.43 0.40 0.00 0.04 0.00 0.00 34.50 32.70 2vca s PRO 546 CO -0.10 -0.82 1.23 -3.47 0.04 0.00 0.00 177.00 173.88 2vca n ASP 547 N -0.56 0.32 0.00 6.66 4.64 -1.26 -4.91 116.55 121.43 2vca n ASP 547 Ca 0.08 -2.07 0.12 0.00 -1.38 0.00 0.00 54.79 51.53 2vca n ASP 547 Cb 0.45 -0.03 0.15 0.00 -1.04 0.00 0.00 41.12 40.66 2vca n ASP 547 CO 0.00 0.00 0.00 -2.67 -0.82 0.00 0.00 177.20 173.71 2vca n TRP 548 N -0.58 0.04 -0.20 -0.67 4.27 -1.26 -4.29 117.44 114.75 2vca n TRP 548 Ca -0.04 0.01 -0.05 0.00 -3.89 0.00 0.00 57.50 53.53 2vca n TRP 548 Cb 0.88 -0.23 0.06 0.00 -1.36 0.00 0.00 31.31 30.65 2vca n TRP 548 CO 0.00 0.00 0.00 -0.97 -2.29 0.00 0.00 177.69 174.43 2vca h ASN 549 N 0.00 0.58 -0.10 -0.67 -1.24 -1.99 0.66 115.58 112.82 2vca h ASN 549 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 2vca h ASN 549 Cb 0.53 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.45 2vca h ASN 549 CO 0.00 0.40 0.03 0.08 -1.29 0.00 0.00 177.43 176.65 2vca h ARG 550 N 0.70 0.21 0.01 6.67 0.11 -2.00 -0.57 114.38 119.52 2vca h ARG 550 Ca 0.24 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.26 2vca h ARG 550 Cb 0.03 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.07 2vca h ARG 550 CO -0.10 0.21 -0.16 -0.07 0.10 0.00 0.00 179.97 179.95 2vca h LEU 551 N 0.22 0.12 -1.38 0.08 3.38 -1.60 -3.15 115.31 112.97 2vca h LEU 551 Ca 0.05 -0.88 0.09 0.00 0.09 0.00 0.00 57.88 57.24 2vca h LEU 551 Cb 0.11 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 2vca h LEU 551 CO -0.00 0.98 0.50 -0.08 0.09 0.00 0.00 178.44 179.93 2vca h GLU 552 N -0.73 0.68 0.00 1.13 4.57 -0.72 -1.66 114.58 117.85 2vca h GLU 552 Ca -0.02 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 2vca h GLU 552 Cb 1.02 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.45 2vca h GLU 552 CO 0.03 0.45 -0.16 0.93 -1.18 0.00 0.00 179.01 179.08 2vca h GLU 553 N 0.70 0.00 -0.38 1.92 5.08 -1.14 -2.59 114.58 118.17 2vca h GLU 553 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2vca h GLU 553 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2vca h GLU 553 CO -0.13 0.16 0.00 0.54 -1.00 0.00 0.00 179.01 178.58 2vca n ARG 554 N -3.35 3.61 -2.72 2.33 1.74 -0.69 -4.96 116.66 112.62 2vca n ARG 554 Ca -0.00 -2.94 -0.20 0.00 -0.77 0.00 0.00 57.85 53.94 2vca n ARG 554 Cb 0.37 -1.98 0.01 0.00 -1.02 0.00 0.00 32.46 29.84 2vca n ARG 554 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2vca n ASP 555 N -0.06 -5.37 -4.65 0.55 8.00 -0.98 -4.95 116.55 109.08 2vca n ASP 555 Ca 0.23 -0.11 -0.39 0.00 0.71 0.00 0.00 54.79 55.24 2vca n ASP 555 Cb 0.99 -4.43 -0.08 0.00 -0.02 0.00 0.00 41.12 37.57 2vca n ASP 555 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2vca s LEU 556 N -6.23 4.12 0.26 0.64 1.02 -0.82 -4.77 118.68 112.90 2vca s LEU 556 Ca 0.14 0.49 -0.31 0.00 0.02 0.00 0.00 54.13 54.48 2vca s LEU 556 Cb -0.07 -2.54 -0.13 0.00 0.02 0.00 0.00 46.19 43.48 2vca s LEU 556 CO 0.18 -0.13 1.45 -2.65 0.02 0.00 0.00 176.35 175.21 2vca n PRO 557 N 4.79 2.20 -3.87 1.29 -0.02 -1.26 -4.46 135.00 133.66 2vca n PRO 557 Ca -0.07 0.78 -0.09 0.00 -2.02 0.00 0.00 63.50 62.10 2vca n PRO 557 Cb 0.51 -2.46 -0.08 0.00 -0.02 0.00 0.00 33.50 31.45 2vca n PRO 557 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2vca s TRP 558 N -0.09 0.16 -0.07 6.00 1.48 -0.74 -0.76 118.94 124.92 2vca s TRP 558 Ca 0.67 -0.56 0.04 0.00 -1.06 0.00 0.00 56.10 55.19 2vca s TRP 558 Cb -0.61 -0.07 -0.00 0.00 -1.16 0.00 0.00 33.47 31.63 2vca s TRP 558 CO 0.50 -0.52 -0.21 0.42 -4.06 0.00 0.00 176.95 173.08 2vca s ILE 559 N -3.68 1.78 -0.25 0.66 1.01 -0.42 -0.51 121.20 119.79 2vca s ILE 559 Ca 0.04 -0.88 -0.26 0.00 0.00 0.00 0.00 60.65 59.54 2vca s ILE 559 Cb 0.04 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.98 2vca s ILE 559 CO -0.10 0.50 0.90 0.86 0.00 0.00 0.00 174.94 177.09 2vca s TRP 560 N 0.19 3.30 -0.02 3.97 -0.00 -0.66 -1.56 118.94 124.15 2vca s TRP 560 Ca -0.11 1.20 0.07 0.00 -0.00 0.00 0.00 56.10 57.26 2vca s TRP 560 Cb -0.15 -3.16 -0.02 0.00 -0.00 0.00 0.00 33.47 30.14 2vca s TRP 560 CO 0.05 -0.46 -0.24 -0.80 -0.00 0.00 0.00 176.95 175.51 2vca s ASN 561 N 1.35 2.79 -0.32 5.86 0.01 -1.05 -0.80 114.94 122.78 2vca s ASN 561 Ca 0.38 -0.43 -0.20 0.00 -0.71 0.00 0.00 52.86 51.89 2vca s ASN 561 Cb -0.15 -0.36 -0.01 0.00 0.41 0.00 0.00 41.25 41.14 2vca s ASN 561 CO 0.08 0.28 0.64 -0.32 -1.51 0.00 0.00 177.10 176.27 2vca s MET 562 N -0.51 3.86 -0.12 -0.60 -2.45 -0.33 -1.01 119.30 118.15 2vca s MET 562 Ca 0.08 0.27 -0.06 0.00 -1.25 0.00 0.00 55.69 54.73 2vca s MET 562 Cb -0.10 -3.74 -0.04 0.00 1.25 0.00 0.00 34.83 32.20 2vca s MET 562 CO -0.00 -0.61 0.03 1.25 1.05 0.00 0.00 175.02 176.73 2vca h LEU 563 N 9.22 0.00 0.00 4.11 6.46 -1.83 -1.18 115.31 132.09 2vca h LEU 563 Ca -0.26 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 2vca h LEU 563 Cb 1.11 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.04 2vca h LEU 563 CO 0.81 0.64 0.00 1.57 -0.62 0.00 0.00 178.44 180.85 2vca n HIS 564 N -4.71 0.00 -4.11 1.25 -0.00 -1.26 -3.39 115.22 102.99 2vca n HIS 564 Ca -0.04 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.34 2vca n HIS 564 Cb 0.13 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.01 2vca n HIS 564 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2vca s ASN 565 N 0.00 5.22 -0.18 0.26 3.04 -1.26 -4.17 114.94 117.84 2vca s ASN 565 Ca 0.00 -0.05 -0.01 0.00 0.04 0.00 0.00 52.86 52.84 2vca s ASN 565 Cb 0.00 -1.89 -0.00 0.00 -1.54 0.00 0.00 41.25 37.82 2vca s ASN 565 CO 0.00 0.13 -0.12 -0.36 -3.04 0.00 0.00 177.10 173.72 2vca s PHE 566 N 0.59 2.85 -0.30 0.43 0.08 -1.26 -1.34 117.98 119.03 2vca s PHE 566 Ca 0.01 -1.07 0.00 0.00 0.12 0.00 0.00 56.93 55.99 2vca s PHE 566 Cb -0.14 -1.97 0.00 0.00 -0.57 0.00 0.00 43.02 40.34 2vca s PHE 566 CO 0.02 -0.53 0.00 0.41 -0.10 0.00 0.00 175.22 175.02 2vca n GLY 567 N 4.38 0.33 2.35 4.36 0.00 -1.26 -1.49 105.19 113.86 2vca n GLY 567 Ca -0.19 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 2vca n GLY 567 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vca n GLY 568 N 0.30 0.65 3.76 -0.02 0.00 -1.26 -4.36 105.19 104.26 2vca n GLY 568 Ca -0.03 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 2vca n GLY 568 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vca s ARG 569 N -1.74 4.39 0.29 1.61 0.52 -0.56 -4.82 118.95 118.65 2vca s ARG 569 Ca 0.00 2.13 0.07 0.00 -0.52 0.00 0.00 55.73 57.41 2vca s ARG 569 Cb 0.00 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.32 2vca s ARG 569 CO 0.00 -0.19 0.30 -1.64 0.02 0.00 0.00 175.30 173.80 2vca s MET 570 N -1.09 2.97 0.00 3.54 -1.94 -1.26 -4.60 119.30 116.92 2vca s MET 570 Ca 0.52 -1.09 0.00 0.00 -1.71 0.00 0.00 55.69 53.41 2vca s MET 570 Cb -0.38 -2.63 0.00 0.00 2.01 0.00 0.00 34.83 33.83 2vca s MET 570 CO 0.46 0.24 0.00 0.41 -0.01 0.00 0.00 175.02 176.12 2vca n GLY 571 N -1.36 4.19 3.61 -0.03 0.00 -1.26 -4.75 105.19 105.58 2vca n GLY 571 Ca -0.05 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 2vca n GLY 571 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2vca s MET 572 N -2.83 3.77 -0.29 1.61 -1.94 -1.26 -4.78 119.30 113.57 2vca s MET 572 Ca 0.00 0.92 -0.13 0.00 -1.71 0.00 0.00 55.69 54.77 2vca s MET 572 Cb 0.00 -3.92 0.12 0.00 2.01 0.00 0.00 34.83 33.04 2vca s MET 572 CO 0.00 -1.32 0.75 0.34 -0.01 0.00 0.00 175.02 174.78 2vca s ASP 573 N 2.93 -0.94 -0.06 3.03 2.15 -1.26 -4.77 116.67 117.75 2vca s ASP 573 Ca 0.54 1.37 -0.29 0.00 0.43 0.00 0.00 52.55 54.59 2vca s ASP 573 Cb -0.12 1.85 0.11 0.00 -0.30 0.00 0.00 42.92 44.45 2vca s ASP 573 CO 0.28 -0.20 0.91 0.00 -0.17 0.00 0.00 175.17 175.99 2vca s ALA 574 N 2.33 -1.86 -0.57 3.66 0.00 -1.26 -4.83 121.76 119.23 2vca s ALA 574 Ca -0.07 1.22 0.05 0.00 0.00 0.00 0.00 51.96 53.17 2vca s ALA 574 Cb -0.08 0.03 0.33 0.00 0.00 0.00 0.00 23.12 23.40 2vca s ALA 574 CO -0.19 -0.55 0.92 0.00 0.00 0.00 0.00 175.76 175.95 2vca n ALA 575 N 0.13 4.50 -0.28 0.00 0.00 -1.26 -4.52 120.51 119.08 2vca n ALA 575 Ca -0.10 -4.64 -0.05 0.00 0.00 0.00 0.00 53.44 48.65 2vca n ALA 575 Cb 0.60 -0.75 0.06 0.00 0.00 0.00 0.00 19.45 19.36 2vca n ALA 575 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2vca h PRO 576 N 3.07 1.09 -0.31 0.00 0.13 -1.96 -2.47 132.00 131.55 2vca h PRO 576 Ca 0.13 -0.14 0.03 0.00 -0.87 0.00 0.00 66.00 65.15 2vca h PRO 576 Cb 0.54 -0.21 -0.03 0.00 0.13 0.00 0.00 31.00 31.43 2vca h PRO 576 CO 0.80 0.82 0.14 1.49 -0.23 0.00 0.00 178.00 181.03 2vca h GLU 577 N 1.08 0.29 -0.49 0.86 4.81 -1.92 -1.13 114.58 118.07 2vca h GLU 577 Ca 0.27 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.51 2vca h GLU 577 Cb 0.06 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2vca h GLU 577 CO -0.04 0.19 0.29 0.87 -0.73 0.00 0.00 179.01 179.60 2vca h LYS 578 N 0.30 0.57 -0.87 1.92 1.57 -1.92 -1.98 116.57 116.15 2vca h LYS 578 Ca 0.13 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2vca h LYS 578 Cb 0.06 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 2vca h LYS 578 CO -0.10 0.38 0.57 -0.07 -0.57 0.00 0.00 179.45 179.65 2vca h LEU 579 N 0.58 1.01 -0.72 2.94 3.38 -1.15 0.59 115.31 121.96 2vca h LEU 579 Ca 0.20 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2vca h LEU 579 Cb 0.02 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2vca h LEU 579 CO -0.09 0.74 0.00 0.00 0.09 0.00 0.00 178.44 179.18 2vca h ALA 580 N 1.31 1.00 0.00 1.53 0.00 -0.95 -3.34 119.26 118.81 2vca h ALA 580 Ca 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 2vca h ALA 580 Cb -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2vca h ALA 580 CO -0.07 0.00 -0.97 0.25 0.00 0.00 0.00 179.25 178.46 2vca n THR 581 N -2.70 0.51 0.19 0.00 -2.24 -0.77 -2.07 114.28 107.20 2vca n THR 581 Ca 0.03 0.05 0.04 0.00 -2.27 0.00 0.00 64.05 61.89 2vca n THR 581 Cb 0.35 -1.60 0.37 0.00 -2.10 0.00 0.00 70.33 67.35 2vca n THR 581 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2vca h GLU 582 N -0.16 0.00 0.64 -0.78 4.39 -0.02 -2.76 114.58 115.90 2vca h GLU 582 Ca -0.08 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 2vca h GLU 582 Cb 0.86 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2vca h GLU 582 CO -0.05 0.38 -0.31 0.82 -1.16 0.00 0.00 179.01 178.69 2vca h ILE 583 N 0.00 0.19 0.00 3.13 2.04 -1.68 -0.38 117.51 120.81 2vca h ILE 583 Ca -0.00 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 2vca h ILE 583 Cb 0.76 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2vca h ILE 583 CO 0.05 0.02 -0.26 -0.65 0.00 0.00 0.00 178.15 177.31 2vca h PRO 584 N -1.12 0.00 -0.66 2.37 0.11 -1.85 -1.64 132.00 129.22 2vca h PRO 584 Ca -0.09 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 2vca h PRO 584 Cb 0.70 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.78 2vca h PRO 584 CO 0.15 0.26 0.38 -0.22 -0.21 0.00 0.00 178.00 178.35 2vca h LYS 585 N 0.00 0.91 -0.71 1.05 3.64 -1.48 -0.73 116.57 119.25 2vca h LYS 585 Ca -0.00 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.22 2vca h LYS 585 Cb 0.49 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 2vca h LYS 585 CO 0.03 0.67 0.22 0.00 -2.27 0.00 0.00 179.45 178.11 2vca h ALA 586 N 1.19 0.93 -0.37 5.00 0.00 -0.45 -1.61 119.26 123.95 2vca h ALA 586 Ca 0.24 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2vca h ALA 586 Cb 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2vca h ALA 586 CO -0.04 0.61 0.21 1.25 0.00 0.00 0.00 179.25 181.28 2vca h LEU 587 N 1.05 0.45 -1.58 0.00 5.85 -1.05 -2.72 115.31 117.30 2vca h LEU 587 Ca 0.23 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 2vca h LEU 587 Cb 0.30 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2vca h LEU 587 CO -0.01 0.38 -0.22 0.00 -0.34 0.00 0.00 178.44 178.25 2vca h ALA 588 N 1.08 1.37 -0.63 1.25 0.00 -1.01 -3.20 119.26 118.12 2vca h ALA 588 Ca 0.13 -0.20 -0.34 0.00 0.00 0.00 0.00 54.91 54.49 2vca h ALA 588 Cb 0.03 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 17.58 2vca h ALA 588 CO -0.02 0.28 0.20 0.09 0.00 0.00 0.00 179.25 179.80 2vca n ASN 589 N -3.89 3.27 -3.74 0.00 3.02 -0.62 -4.99 115.26 108.30 2vca n ASN 589 Ca -0.02 -3.73 -0.10 0.00 -0.03 0.00 0.00 54.58 50.70 2vca n ASN 589 Cb 0.31 -0.72 -0.05 0.00 -0.61 0.00 0.00 39.78 38.72 2vca n ASN 589 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2vca s SER 590 N -2.11 -0.19 0.00 6.41 1.04 -1.09 -4.98 113.70 112.78 2vca s SER 590 Ca 0.50 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.44 2vca s SER 590 Cb 0.44 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 67.07 2vca s SER 590 CO 0.04 -0.95 0.17 -0.62 0.98 0.00 0.00 173.24 172.85 2vca n GLU 591 N -0.27 4.48 -0.02 4.02 1.02 -1.26 -4.79 120.64 123.82 2vca n GLU 591 Ca -0.12 -0.16 0.01 0.00 -0.02 0.00 0.00 57.16 56.87 2vca n GLU 591 Cb 0.63 -0.67 0.02 0.00 -0.02 0.00 0.00 31.44 31.40 2vca n GLU 591 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2vca n HIS 592 N -0.69 0.00 -2.20 -0.32 8.25 -1.26 -4.96 115.22 114.03 2vca n HIS 592 Ca 0.00 -0.50 -0.41 0.00 -0.26 0.00 0.00 57.72 56.55 2vca n HIS 592 Cb 0.01 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.03 2vca n HIS 592 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 2vca s MET 593 N -1.12 3.07 0.00 -0.41 0.00 -1.26 -1.78 119.30 117.80 2vca s MET 593 Ca 0.04 0.66 0.22 0.00 0.00 0.00 0.00 55.69 56.61 2vca s MET 593 Cb 0.04 -4.23 0.17 0.00 0.00 0.00 0.00 34.83 30.81 2vca s MET 593 CO 0.00 -2.21 1.20 1.33 0.00 0.00 0.00 175.02 175.35 2vca n VAL 594 N 7.06 0.00 -3.80 10.11 0.24 0.33 -4.91 118.33 127.36 2vca n VAL 594 Ca 0.17 -0.50 0.03 0.00 -2.04 0.00 0.00 64.34 61.99 2vca n VAL 594 Cb 0.50 1.46 0.00 0.00 -1.47 0.00 0.00 33.84 34.33 2vca n VAL 594 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2vca s GLY 595 N -1.84 -0.28 0.22 7.63 0.00 -1.21 -1.49 107.32 110.34 2vca s GLY 595 Ca 0.26 0.40 0.04 0.00 0.00 0.00 0.00 44.72 45.41 2vca s GLY 595 CO 0.28 3.06 -0.03 -0.26 0.00 0.00 0.00 173.10 176.15 2vca s ILE 596 N -2.15 1.09 -0.01 0.90 -4.36 -1.01 -1.65 121.20 114.01 2vca s ILE 596 Ca 0.22 -2.04 -0.19 0.00 -0.26 0.00 0.00 60.65 58.38 2vca s ILE 596 Cb 0.03 -2.26 0.06 0.00 1.25 0.00 0.00 42.46 41.54 2vca s ILE 596 CO -0.03 -0.40 0.87 0.61 0.24 0.00 0.00 174.94 176.23 2vca n GLY 597 N -0.38 0.35 3.27 6.27 0.00 0.02 -0.71 105.19 114.00 2vca n GLY 597 Ca -0.06 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 2vca n GLY 597 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2vca s ILE 598 N -2.06 1.98 -0.32 -0.61 -4.36 0.13 -1.19 121.20 114.77 2vca s ILE 598 Ca 0.20 -1.04 0.11 0.00 -0.26 0.00 0.00 60.65 59.66 2vca s ILE 598 Cb -0.01 -1.67 0.46 0.00 1.25 0.00 0.00 42.46 42.50 2vca s ILE 598 CO -0.00 0.56 1.13 0.35 0.24 0.00 0.00 174.94 177.21 2vca n THR 599 N 2.80 2.06 -2.35 8.37 -2.24 -0.44 -1.24 114.28 121.25 2vca n THR 599 Ca -0.17 -3.98 -0.37 0.00 -2.27 0.00 0.00 64.05 57.25 2vca n THR 599 Cb 0.52 -0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 2vca n THR 599 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2vca s PRO 600 N -3.58 3.95 0.37 -0.78 0.04 -1.22 -4.46 135.00 129.33 2vca s PRO 600 Ca 0.43 1.72 0.19 0.00 0.04 0.00 0.00 61.00 63.38 2vca s PRO 600 Cb 0.39 -2.52 0.65 0.00 0.04 0.00 0.00 34.50 33.06 2vca s PRO 600 CO -0.03 -0.37 1.72 0.93 0.04 0.00 0.00 177.00 179.28 2vca h GLU 601 N 2.34 0.00 -3.45 4.56 5.08 -1.43 -3.30 114.58 118.38 2vca h GLU 601 Ca -0.49 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.74 2vca h GLU 601 Cb 1.23 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.29 2vca h GLU 601 CO 0.61 0.37 -0.43 0.00 -1.00 0.00 0.00 179.01 178.56 2vca s ALA 602 N -3.55 -0.41 -0.89 3.43 0.00 -1.26 -2.59 121.76 116.50 2vca s ALA 602 Ca 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.82 2vca s ALA 602 Cb 0.11 0.15 0.22 0.00 0.00 0.00 0.00 23.12 23.60 2vca s ALA 602 CO 0.69 -0.26 0.78 0.96 0.00 0.00 0.00 175.76 177.93 2vca s ILE 603 N -1.72 4.61 0.00 0.00 -4.36 -1.26 -4.74 121.20 113.73 2vca s ILE 603 Ca -0.12 -3.58 0.00 0.00 -0.26 0.00 0.00 60.65 56.69 2vca s ILE 603 Cb -0.05 -3.86 0.00 0.00 1.25 0.00 0.00 42.46 39.80 2vca s ILE 603 CO 0.01 -1.07 0.10 -0.46 0.24 0.00 0.00 174.94 173.75 2vca n ASN 604 N 2.66 0.00 -3.85 4.36 6.94 -1.26 -5.00 115.26 119.11 2vca n ASN 604 Ca 0.19 -1.00 -0.12 0.00 -0.02 0.00 0.00 54.58 53.64 2vca n ASN 604 Cb 0.38 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.70 2vca n ASN 604 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2vca s THR 605 N 0.00 0.07 -0.92 5.53 2.01 -1.26 -4.99 115.64 116.08 2vca s THR 605 Ca 0.00 -0.61 -0.09 0.00 0.31 0.00 0.00 61.69 61.30 2vca s THR 605 Cb 0.00 -0.45 0.00 0.00 0.01 0.00 0.00 72.50 72.06 2vca s THR 605 CO 0.00 -0.34 0.69 0.59 -0.69 0.00 0.00 174.62 174.87 2vca n ASN 606 N 1.51 -5.67 -0.10 3.53 4.13 -1.26 -4.88 115.26 112.52 2vca n ASN 606 Ca -0.22 -0.79 0.20 0.00 1.68 0.00 0.00 54.58 55.46 2vca n ASN 606 Cb 0.56 -3.05 0.62 0.00 -1.54 0.00 0.00 39.78 36.37 2vca n ASN 606 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2vca h PRO 607 N -0.73 0.16 -0.63 3.52 0.13 -1.94 -2.50 132.00 130.00 2vca h PRO 607 Ca -0.49 -0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.73 2vca h PRO 607 Cb 1.29 -0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 2vca h PRO 607 CO 0.39 0.10 0.24 1.25 -0.23 0.00 0.00 178.00 179.76 2vca h LEU 608 N 0.16 0.24 -0.68 1.56 6.46 -1.97 -2.33 115.31 118.75 2vca h LEU 608 Ca 0.34 0.08 0.08 0.00 -0.12 0.00 0.00 57.88 58.26 2vca h LEU 608 Cb 1.10 0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 41.02 2vca h LEU 608 CO -0.05 0.14 0.35 0.00 -0.62 0.00 0.00 178.44 178.25 2vca h ALA 609 N 1.44 0.93 0.05 1.25 0.00 -1.81 -2.03 119.26 119.09 2vca h ALA 609 Ca 0.32 0.04 -0.23 0.00 0.00 0.00 0.00 54.91 55.04 2vca h ALA 609 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2vca h ALA 609 CO -0.32 -0.02 -1.08 1.88 0.00 0.00 0.00 179.25 179.71 2vca h TYR 610 N 0.62 0.22 -0.21 0.00 0.05 -1.59 -1.99 116.97 114.06 2vca h TYR 610 Ca 0.32 -0.15 -0.08 0.00 0.05 0.00 0.00 58.73 58.87 2vca h TYR 610 Cb 0.29 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.02 2vca h TYR 610 CO -0.10 1.10 -0.18 1.49 -1.05 0.00 0.00 178.16 179.42 2vca h GLU 611 N 0.04 0.50 -0.46 4.88 4.81 -1.32 -2.95 114.58 120.08 2vca h GLU 611 Ca -0.06 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 58.88 2vca h GLU 611 Cb 1.81 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.18 2vca h GLU 611 CO 0.16 0.83 0.16 1.25 -0.73 0.00 0.00 179.01 180.67 2vca h LEU 612 N 0.19 0.66 -0.28 1.64 5.85 -1.40 -1.95 115.31 120.03 2vca h LEU 612 Ca 0.04 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.63 2vca h LEU 612 Cb 0.72 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.50 2vca h LEU 612 CO 0.05 0.68 -0.28 0.25 -0.34 0.00 0.00 178.44 178.80 2vca h LEU 613 N 0.61 -0.90 -0.71 2.25 7.12 -1.39 -1.71 115.31 120.58 2vca h LEU 613 Ca 0.15 0.16 -0.09 0.00 0.13 0.00 0.00 57.88 58.23 2vca h LEU 613 Cb 0.25 0.42 -0.01 0.00 -0.53 0.00 0.00 40.66 40.78 2vca h LEU 613 CO -0.01 -0.30 -0.42 -0.26 -0.13 0.00 0.00 178.44 177.32 2vca h PHE 614 N -0.27 0.00 -0.09 1.25 0.04 -1.44 -2.13 116.94 114.30 2vca h PHE 614 Ca 0.14 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 2vca h PHE 614 Cb 0.50 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 2vca h PHE 614 CO -0.44 0.42 0.01 -0.44 -0.60 0.00 0.00 178.31 177.25 2vca h ASP 615 N 0.00 0.11 0.36 2.17 5.19 -0.93 -2.63 116.42 120.68 2vca h ASP 615 Ca -0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2vca h ASP 615 Cb 1.03 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.51 2vca h ASP 615 CO 0.05 0.13 0.00 0.23 -3.12 0.00 0.00 179.24 176.53 2vca n MET 616 N -4.47 0.28 0.21 3.56 2.81 -0.68 -2.25 117.12 116.59 2vca n MET 616 Ca -0.02 0.10 0.10 0.00 -1.81 0.00 0.00 57.70 56.08 2vca n MET 616 Cb 0.13 -1.50 0.30 0.00 -0.71 0.00 0.00 33.22 31.43 2vca n MET 616 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2vca h ALA 617 N 2.93 0.93 -0.54 3.04 0.00 -1.56 -3.34 119.26 120.73 2vca h ALA 617 Ca 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 2vca h ALA 617 Cb 0.18 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 2vca h ALA 617 CO 0.00 0.20 0.13 0.91 0.00 0.00 0.00 179.25 180.48 2vca n TRP 618 N -3.19 1.82 -3.85 0.00 7.02 -0.95 -4.10 117.44 114.19 2vca n TRP 618 Ca 0.02 -1.13 -0.11 0.00 -1.02 0.00 0.00 57.50 55.26 2vca n TRP 618 Cb 0.51 -0.54 -0.09 0.00 -2.42 0.00 0.00 31.31 28.77 2vca n TRP 618 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 2vca s THR 619 N -2.97 0.09 -1.43 -0.99 -1.32 -1.26 -4.83 115.64 102.94 2vca s THR 619 Ca 0.50 -0.77 0.17 0.00 -1.21 0.00 0.00 61.69 60.39 2vca s THR 619 Cb 0.41 -0.65 -0.04 0.00 -1.51 0.00 0.00 72.50 70.70 2vca s THR 619 CO 0.11 -0.42 0.87 0.54 -2.21 0.00 0.00 174.62 173.50 2vca n ARG 620 N 1.12 1.55 -4.23 7.08 1.74 -1.26 -4.89 116.66 117.76 2vca n ARG 620 Ca -0.21 -0.67 -0.27 0.00 -0.77 0.00 0.00 57.85 55.93 2vca n ARG 620 Cb 0.57 -1.32 -0.08 0.00 -1.02 0.00 0.00 32.46 30.61 2vca n ARG 620 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2vca s ASP 621 N -2.16 4.57 0.41 0.55 1.01 -1.26 -4.80 116.67 114.99 2vca s ASP 621 Ca 0.13 -0.44 -0.26 0.00 0.71 0.00 0.00 52.55 52.68 2vca s ASP 621 Cb 0.14 -0.91 -0.09 0.00 1.01 0.00 0.00 42.92 43.07 2vca s ASP 621 CO 0.50 0.11 1.36 -1.10 0.21 0.00 0.00 175.17 176.24 2vca s GLN 622 N -2.79 3.95 0.42 8.23 -0.21 -1.26 -4.83 119.66 123.17 2vca s GLN 622 Ca 0.26 2.28 0.07 0.00 0.02 0.00 0.00 55.36 57.99 2vca s GLN 622 Cb -0.09 -2.79 -0.05 0.00 1.00 0.00 0.00 33.01 31.08 2vca s GLN 622 CO 0.17 -0.55 0.16 0.96 -2.12 0.00 0.00 175.29 173.90 2vca s ILE 623 N -1.22 2.19 -0.51 1.08 -4.36 -0.88 -5.04 121.20 112.45 2vca s ILE 623 Ca 0.57 -1.75 -0.22 0.00 -0.26 0.00 0.00 60.65 58.99 2vca s ILE 623 Cb -0.41 -2.93 0.04 0.00 1.25 0.00 0.00 42.46 40.41 2vca s ILE 623 CO 0.53 0.00 0.79 0.21 0.24 0.00 0.00 174.94 176.71 2vca s ASN 624 N -3.89 6.31 0.55 4.36 3.84 -1.26 -4.68 114.94 120.17 2vca s ASN 624 Ca 0.38 -0.49 0.25 0.00 0.21 0.00 0.00 52.86 53.21 2vca s ASN 624 Cb 0.05 -2.37 1.57 0.00 -0.55 0.00 0.00 41.25 39.94 2vca s ASN 624 CO 0.21 -1.04 2.18 2.19 -2.79 0.00 0.00 177.10 177.85 2vca h PHE 625 N 9.13 0.00 -0.01 0.43 -5.15 -1.92 -1.14 116.94 118.27 2vca h PHE 625 Ca -0.26 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.49 2vca h PHE 625 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.25 2vca h PHE 625 CO 0.83 0.04 -0.06 0.00 -2.00 0.00 0.00 178.31 177.11 2vca h ARG 626 N 0.00 0.06 0.00 6.09 3.08 -1.97 -2.25 114.38 119.39 2vca h ARG 626 Ca -0.00 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 2vca h ARG 626 Cb 0.09 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2vca h ARG 626 CO 0.01 0.73 -0.50 1.79 -1.07 0.00 0.00 179.97 180.93 2vca h THR 627 N -0.59 1.33 -0.44 2.04 1.35 -1.95 -2.09 112.91 112.57 2vca h THR 627 Ca -0.00 -1.73 0.01 0.00 -0.55 0.00 0.00 66.41 64.13 2vca h THR 627 Cb 0.74 1.94 -0.02 0.00 -1.73 0.00 0.00 68.15 69.08 2vca h THR 627 CO 0.01 0.49 0.29 -0.25 -0.25 0.00 0.00 175.52 175.81 2vca h TRP 628 N 0.00 0.55 -0.59 4.73 7.01 -1.25 -2.46 115.95 123.94 2vca h TRP 628 Ca -0.01 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 2vca h TRP 628 Cb 0.90 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.75 2vca h TRP 628 CO 0.00 0.35 0.16 1.15 -2.79 0.00 0.00 178.44 177.30 2vca h THR 629 N 0.59 1.25 -0.39 2.65 2.02 -1.12 -0.33 112.91 117.59 2vca h THR 629 Ca 0.16 -0.88 0.07 0.00 0.77 0.00 0.00 66.41 66.53 2vca h THR 629 Cb -0.06 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 66.98 2vca h THR 629 CO -0.04 0.33 0.03 -0.08 0.37 0.00 0.00 175.52 176.13 2vca h GLU 630 N 0.85 0.14 -0.50 6.66 4.81 -1.28 -1.03 114.58 124.23 2vca h GLU 630 Ca 0.19 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 2vca h GLU 630 Cb 0.33 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2vca h GLU 630 CO -0.00 0.09 0.01 -0.44 -0.73 0.00 0.00 179.01 177.94 2vca h ASP 631 N 0.14 0.85 -0.37 1.04 3.32 -1.25 -3.19 116.42 116.97 2vca h ASP 631 Ca 0.19 -0.30 0.05 0.00 0.02 0.00 0.00 57.03 56.99 2vca h ASP 631 Cb 0.25 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 2vca h ASP 631 CO -0.29 0.94 0.09 0.22 -1.72 0.00 0.00 179.24 178.48 2vca h TYR 632 N 0.73 0.14 -0.01 4.55 3.20 -0.58 -2.88 116.97 122.12 2vca h TYR 632 Ca 0.14 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.92 2vca h TYR 632 Cb 0.50 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 2vca h TYR 632 CO 0.04 0.03 -0.52 -0.84 -1.64 0.00 0.00 178.16 175.23 2vca h ILE 633 N 0.21 1.37 -0.35 1.81 3.07 -1.24 -0.92 117.51 121.47 2vca h ILE 633 Ca 0.17 -1.79 -0.05 0.00 1.55 0.00 0.00 64.86 64.74 2vca h ILE 633 Cb 0.19 1.95 -0.01 0.00 -0.27 0.00 0.00 36.82 38.68 2vca h ILE 633 CO -0.22 0.52 0.03 -0.08 -1.05 0.00 0.00 178.15 177.35 2vca h GLU 634 N 0.03 0.59 0.00 0.16 4.81 -1.50 -0.42 114.58 118.25 2vca h GLU 634 Ca -0.00 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 58.93 2vca h GLU 634 Cb 0.93 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 2vca h GLU 634 CO 0.07 0.69 -0.57 0.07 -0.73 0.00 0.00 179.01 178.54 2vca h ARG 635 N 0.41 0.00 -0.33 1.92 0.11 -1.37 0.18 114.38 115.30 2vca h ARG 635 Ca 0.10 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 60.01 2vca h ARG 635 Cb 0.40 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.48 2vca h ARG 635 CO 0.01 0.57 -0.47 -0.09 0.10 0.00 0.00 179.97 180.10 2vca h ARG 636 N 0.00 0.88 0.00 0.08 2.43 -1.07 -3.24 114.38 113.45 2vca h ARG 636 Ca -0.01 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2vca h ARG 636 Cb 1.29 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 2vca h ARG 636 CO 0.07 1.15 -1.30 0.66 -1.51 0.00 0.00 179.97 179.04 2vca n TYR 637 N -4.03 0.50 -0.28 2.20 4.01 -0.18 -4.14 117.16 115.24 2vca n TYR 637 Ca -0.03 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 2vca n TYR 637 Cb 0.58 -0.68 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 2vca n TYR 637 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2vca n GLY 638 N 1.25 1.25 3.63 2.72 0.00 0.57 -4.73 105.19 109.88 2vca n GLY 638 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 2vca n GLY 638 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vca s LYS 639 N -0.43 1.03 0.15 1.61 -2.85 -0.87 -4.95 119.74 113.44 2vca s LYS 639 Ca 0.00 -0.49 -0.15 0.00 -1.00 0.00 0.00 55.97 54.33 2vca s LYS 639 Cb 0.00 0.40 0.02 0.00 -2.06 0.00 0.00 37.83 36.20 2vca s LYS 639 CO 0.00 -0.46 0.41 -0.08 0.10 0.00 0.00 175.35 175.32 2vca s THR 640 N -3.24 0.06 0.34 3.79 -1.32 -1.26 -4.44 115.64 109.58 2vca s THR 640 Ca 0.08 -0.83 0.01 0.00 -1.21 0.00 0.00 61.69 59.75 2vca s THR 640 Cb -0.01 -1.44 -0.01 0.00 -1.51 0.00 0.00 72.50 69.53 2vca s THR 640 CO -0.03 -0.26 0.41 0.54 -2.21 0.00 0.00 174.62 173.06 2vca s ASN 641 N -2.86 1.23 0.25 8.08 2.20 -1.26 -5.05 114.94 117.53 2vca s ASN 641 Ca 0.08 -1.60 -0.06 0.00 -0.94 0.00 0.00 52.86 50.34 2vca s ASN 641 Cb 0.01 0.63 0.26 0.00 -2.00 0.00 0.00 41.25 40.15 2vca s ASN 641 CO -0.07 -1.22 1.90 0.50 -2.94 0.00 0.00 177.10 175.28 2vca h LYS 642 N 2.11 1.28 -0.28 3.55 1.63 -2.03 -2.13 116.57 120.71 2vca h LYS 642 Ca -0.27 -0.11 -0.10 0.00 -0.85 0.00 0.00 60.65 59.32 2vca h LYS 642 Cb 1.24 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 32.59 2vca h LYS 642 CO 0.38 0.88 -0.23 0.93 -3.45 0.00 0.00 179.45 177.96 2vca h GLU 643 N 1.31 0.66 -0.76 1.90 5.08 -1.98 -0.21 114.58 120.58 2vca h GLU 643 Ca 0.34 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2vca h GLU 643 Cb -0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2vca h GLU 643 CO -0.07 0.93 0.31 0.82 -1.00 0.00 0.00 179.01 180.00 2vca h ILE 644 N 0.39 1.25 -0.59 3.13 1.08 -1.90 -0.18 117.51 120.69 2vca h ILE 644 Ca 0.05 -0.78 -0.02 0.00 -0.39 0.00 0.00 64.86 63.72 2vca h ILE 644 Cb 0.78 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.84 2vca h ILE 644 CO 0.06 0.32 0.30 0.25 -0.69 0.00 0.00 178.15 178.39 2vca h LEU 645 N 1.10 0.75 -0.81 1.44 6.46 -1.28 -1.77 115.31 121.20 2vca h LEU 645 Ca 0.26 -0.12 0.01 0.00 -0.12 0.00 0.00 57.88 57.91 2vca h LEU 645 Cb 0.19 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 39.89 2vca h LEU 645 CO -0.02 0.65 0.53 -0.08 -0.62 0.00 0.00 178.44 178.90 2vca h GLU 646 N 0.79 1.06 -0.71 1.25 4.81 -0.42 -0.85 114.58 120.52 2vca h GLU 646 Ca 0.20 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 2vca h GLU 646 Cb 0.09 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 2vca h GLU 646 CO -0.03 0.71 0.23 0.00 -0.73 0.00 0.00 179.01 179.18 2vca h ALA 647 N 1.29 1.05 0.00 2.92 0.00 -0.76 -1.65 119.26 122.12 2vca h ALA 647 Ca 0.30 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 2vca h ALA 647 Cb -0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 2vca h ALA 647 CO -0.06 0.64 -0.64 -1.49 0.00 0.00 0.00 179.25 177.70 2vca h TRP 648 N 1.06 0.00 -0.42 0.00 4.06 -1.02 -1.77 115.95 117.86 2vca h TRP 648 Ca 0.23 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 61.05 2vca h TRP 648 Cb 0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.44 2vca h TRP 648 CO 0.02 0.64 -0.26 -0.91 -3.56 0.00 0.00 178.44 174.38 2vca h ASN 649 N 0.00 0.91 -0.50 -3.49 2.35 -0.97 -0.07 115.58 113.81 2vca h ASN 649 Ca -0.01 -0.36 0.05 0.00 -0.55 0.00 0.00 56.30 55.43 2vca h ASN 649 Cb 1.19 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 39.27 2vca h ASN 649 CO 0.08 1.12 0.25 0.40 -1.65 0.00 0.00 177.43 177.63 2vca h ILE 650 N 0.76 0.94 -0.53 2.81 2.04 -1.13 0.15 117.51 122.55 2vca h ILE 650 Ca 0.09 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 2vca h ILE 650 Cb 0.81 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 2vca h ILE 650 CO 0.07 0.09 0.32 0.40 0.00 0.00 0.00 178.15 179.02 2vca h ILE 651 N 0.48 1.16 -0.27 -0.67 2.04 -1.11 -0.63 117.51 118.51 2vca h ILE 651 Ca 0.22 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 2vca h ILE 651 Cb 0.14 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2vca h ILE 651 CO -0.16 0.17 0.07 -0.07 0.00 0.00 0.00 178.15 178.15 2vca h LEU 652 N 0.71 0.35 0.00 1.44 3.38 -0.63 -0.55 115.31 120.01 2vca h LEU 652 Ca 0.19 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2vca h LEU 652 Cb -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2vca h LEU 652 CO -0.03 0.36 -0.16 0.47 0.09 0.00 0.00 178.44 179.17 2vca n ASP 653 N -4.38 0.37 0.00 -0.43 8.00 0.50 -2.36 116.55 118.25 2vca n ASP 653 Ca 0.01 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.85 2vca n ASP 653 Cb 0.16 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 2vca n ASP 653 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2vca n THR 654 N -1.76 0.00 0.18 -3.53 -2.24 -0.30 -4.71 114.28 101.92 2vca n THR 654 Ca 0.06 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.87 2vca n THR 654 Cb 0.37 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 69.00 2vca n THR 654 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vca h ALA 655 N 1.00 1.47 -0.47 6.98 0.00 -1.67 -2.67 119.26 123.90 2vca h ALA 655 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2vca h ALA 655 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2vca h ALA 655 CO 0.00 0.39 0.00 0.66 0.00 0.00 0.00 179.25 180.30 2vca n TYR 656 N -4.18 0.62 -2.07 0.00 4.02 -0.26 -4.19 117.16 111.10 2vca n TYR 656 Ca -0.02 -0.34 -0.39 0.00 -0.01 0.00 0.00 57.90 57.14 2vca n TYR 656 Cb 0.35 -0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.66 2vca n TYR 656 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 2vca s LYS 657 N -1.26 3.98 0.24 -0.72 2.20 -0.99 -4.40 119.74 118.80 2vca s LYS 657 Ca 0.39 2.13 -0.31 0.00 -0.36 0.00 0.00 55.97 57.82 2vca s LYS 657 Cb 0.22 -2.76 -0.13 0.00 -1.51 0.00 0.00 37.83 33.65 2vca s LYS 657 CO 0.30 -0.47 1.48 1.17 -0.36 0.00 0.00 175.35 177.46 2vca n LYS 658 N 0.14 2.23 -4.23 4.03 4.81 -1.26 -4.95 118.16 118.92 2vca n LYS 658 Ca 0.04 0.79 -0.13 0.00 -0.87 0.00 0.00 58.31 58.14 2vca n LYS 658 Cb 0.44 -2.50 -0.10 0.00 0.02 0.00 0.00 35.03 32.89 2vca n LYS 658 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2vca s ARG 659 N -0.25 1.04 0.00 1.64 1.70 -1.26 -5.07 118.95 116.75 2vca s ARG 659 Ca 0.68 -1.47 0.00 0.00 -0.47 0.00 0.00 55.73 54.47 2vca s ARG 659 Cb -0.61 -0.40 0.00 0.00 -0.57 0.00 0.00 34.95 33.37 2vca s ARG 659 CO 0.48 -0.03 0.53 0.09 -1.08 0.00 0.00 175.30 175.29 2vca n ASN 660 N -0.19 0.72 -4.80 -2.89 3.02 -1.26 -5.03 115.26 104.82 2vca n ASN 660 Ca -0.09 -1.28 -0.22 0.00 -0.03 0.00 0.00 54.58 52.96 2vca n ASN 660 Cb 0.62 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.88 2vca n ASN 660 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 2vca s ASP 661 N -0.28 4.63 -0.18 6.41 3.84 -1.26 -5.10 116.67 124.73 2vca s ASP 661 Ca 0.00 -0.52 -0.08 0.00 -0.00 0.00 0.00 52.55 51.94 2vca s ASP 661 Cb 0.00 0.07 -0.04 0.00 -1.38 0.00 0.00 42.92 41.56 2vca s ASP 661 CO 0.00 -1.66 0.10 -0.47 -0.00 0.00 0.00 175.17 173.14 2vca s TYR 662 N -2.96 3.37 -0.08 2.11 5.04 -1.26 -4.96 117.35 118.60 2vca s TYR 662 Ca 0.64 0.26 -0.29 0.00 -2.44 0.00 0.00 57.07 55.24 2vca s TYR 662 Cb -0.06 -2.08 0.07 0.00 0.35 0.00 0.00 41.96 40.24 2vca s TYR 662 CO 0.42 0.31 0.67 1.52 -1.34 0.00 0.00 175.55 177.13 2vca s TYR 663 N 0.11 -0.66 -0.53 4.97 -0.85 -1.26 -5.13 117.35 114.00 2vca s TYR 663 Ca 0.07 1.21 -0.01 0.00 -0.52 0.00 0.00 57.07 57.82 2vca s TYR 663 Cb -0.12 0.38 0.14 0.00 0.38 0.00 0.00 41.96 42.74 2vca s TYR 663 CO -0.00 -0.57 0.32 -0.65 -1.52 0.00 0.00 175.55 173.14 2vca s GLN 664 N -0.97 2.25 0.78 -3.49 -0.21 -1.26 -5.04 119.66 111.71 2vca s GLN 664 Ca -0.10 -2.33 0.00 0.00 0.02 0.00 0.00 55.36 52.95 2vca s GLN 664 Cb -0.01 -3.59 0.00 0.00 1.00 0.00 0.00 33.01 30.41 2vca s GLN 664 CO 0.08 -1.12 0.00 0.41 -2.12 0.00 0.00 175.29 172.54 2vca n GLY 665 N 3.74 -2.04 3.77 3.09 0.00 -1.26 -4.78 105.19 107.71 2vca n GLY 665 Ca 0.05 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.13 2vca n GLY 665 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vca s ALA 666 N -1.20 3.05 0.12 4.61 0.00 -1.26 -4.96 121.76 122.12 2vca s ALA 666 Ca 0.00 0.91 -0.34 0.00 0.00 0.00 0.00 51.96 52.53 2vca s ALA 666 Cb 0.00 -3.37 -0.14 0.00 0.00 0.00 0.00 23.12 19.62 2vca s ALA 666 CO 0.00 -0.55 1.61 0.00 0.00 0.00 0.00 175.76 176.82 2vca n ALA 667 N -0.24 1.16 -1.78 0.00 0.00 -1.26 -4.81 120.51 113.58 2vca n ALA 667 Ca 0.06 0.43 -0.37 0.00 0.00 0.00 0.00 53.44 53.56 2vca n ALA 667 Cb 0.48 -2.36 -0.06 0.00 0.00 0.00 0.00 19.45 17.51 2vca n ALA 667 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2vca s GLU 668 N 1.35 4.56 0.01 0.00 2.02 -0.01 -4.79 118.70 121.84 2vca s GLU 668 Ca 0.81 1.32 -0.30 0.00 0.02 0.00 0.00 54.97 56.82 2vca s GLU 668 Cb -0.70 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 30.73 2vca s GLU 668 CO 0.40 0.26 1.13 0.45 0.02 0.00 0.00 175.26 177.53 2vca s SER 669 N -1.65 7.15 0.53 -0.19 0.15 -1.26 -4.60 113.70 113.83 2vca s SER 669 Ca 0.51 1.86 0.22 0.00 0.70 0.00 0.00 55.95 59.24 2vca s SER 669 Cb -0.18 -2.57 1.35 0.00 -1.71 0.00 0.00 66.02 62.91 2vca s SER 669 CO 0.23 -0.44 2.06 -0.29 1.20 0.00 0.00 173.24 176.00 2vca h ILE 670 N 4.72 0.83 -0.79 6.45 6.09 -1.82 -1.55 117.51 131.44 2vca h ILE 670 Ca -0.39 0.00 0.13 0.00 -1.37 0.00 0.00 64.86 63.23 2vca h ILE 670 Cb 1.20 0.84 -0.06 0.00 0.47 0.00 0.00 36.82 39.27 2vca h ILE 670 CO 0.81 0.00 0.52 0.40 -3.07 0.00 0.00 178.15 176.81 2vca h ILE 671 N 0.00 0.84 -0.06 2.19 2.04 -0.11 -1.90 117.51 120.51 2vca h ILE 671 Ca 0.16 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2vca h ILE 671 Cb 0.63 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2vca h ILE 671 CO -0.00 0.10 0.00 0.59 0.00 0.00 0.00 178.15 178.84 2vca n ASN 672 N -4.51 1.55 -4.84 1.72 4.13 7.69 -4.72 115.26 116.29 2vca n ASN 672 Ca 0.15 -1.56 -0.35 0.00 1.68 0.00 0.00 54.58 54.50 2vca n ASN 672 Cb 0.46 -0.03 -0.06 0.00 -1.54 0.00 0.00 39.78 38.61 2vca n ASN 672 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2vca s ALA 673 N -1.94 3.55 0.01 5.41 0.00 7.99 -4.87 121.76 131.91 2vca s ALA 673 Ca 0.37 -0.10 -0.33 0.00 0.00 0.00 0.00 51.96 51.89 2vca s ALA 673 Cb 0.20 -2.56 -0.12 0.00 0.00 0.00 0.00 23.12 20.64 2vca s ALA 673 CO 0.32 0.44 1.81 0.54 0.00 0.00 0.00 175.76 178.86 2vca n ARG 674 N 0.68 2.30 -1.69 0.00 1.74 -1.26 -4.93 116.66 113.51 2vca n ARG 674 Ca -0.04 0.84 -0.38 0.00 -0.77 0.00 0.00 57.85 57.50 2vca n ARG 674 Cb 0.52 -2.68 0.05 0.00 -1.02 0.00 0.00 32.46 29.33 2vca n ARG 674 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2vca n PRO 675 N 5.78 1.23 0.00 5.56 -0.02 -1.26 -4.96 135.00 141.34 2vca n PRO 675 Ca 0.20 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2vca n PRO 675 Cb 0.31 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2vca n PRO 675 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vca n GLY 676 N 1.01 1.84 3.85 -1.23 0.00 -1.26 -5.11 105.19 104.29 2vca n GLY 676 Ca 0.13 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 2vca n GLY 676 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2vca s PHE 677 N -2.00 3.66 0.00 1.61 0.08 -1.26 -4.47 117.98 115.60 2vca s PHE 677 Ca 0.00 0.83 0.00 0.00 0.12 0.00 0.00 56.93 57.88 2vca s PHE 677 Cb 0.00 -2.17 0.00 0.00 -0.57 0.00 0.00 43.02 40.28 2vca s PHE 677 CO 0.00 0.64 0.00 0.41 -0.10 0.00 0.00 175.22 176.17 2vca n GLY 678 N 1.61 0.65 3.69 4.36 0.00 -1.26 -4.99 105.19 109.25 2vca n GLY 678 Ca -0.14 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 2vca n GLY 678 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vca s ILE 679 N -2.00 2.65 -0.04 -0.61 1.01 -1.26 -4.86 121.20 116.08 2vca s ILE 679 Ca 0.00 0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.80 2vca s ILE 679 Cb 0.00 -3.06 0.08 0.00 0.01 0.00 0.00 42.46 39.49 2vca s ILE 679 CO 0.00 -0.00 1.01 0.29 0.00 0.00 0.00 174.94 176.24 2vca n LYS 680 N 5.87 2.22 0.00 2.79 4.01 -1.26 -5.00 118.16 126.80 2vca n LYS 680 Ca 0.18 -1.72 0.00 0.00 -0.51 0.00 0.00 58.31 56.26 2vca n LYS 680 Cb 0.39 -1.09 0.00 0.00 -0.51 0.00 0.00 35.03 33.82 2vca n LYS 680 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2vca n SER 681 N -0.72 0.00 0.05 4.39 3.41 -1.26 -1.55 113.62 117.94 2vca n SER 681 Ca 0.05 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.51 2vca n SER 681 Cb 0.39 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.20 2vca n SER 681 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vca h ALA 682 N 0.00 0.38 -2.48 7.33 0.00 -1.89 -3.46 119.26 119.13 2vca h ALA 682 Ca 0.00 -1.15 -0.58 0.00 0.00 0.00 0.00 54.91 53.18 2vca h ALA 682 Cb 0.00 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 17.95 2vca h ALA 682 CO 0.00 1.24 -0.66 -1.54 0.00 0.00 0.00 179.25 178.29 2vca s SER 683 N -6.79 4.51 0.20 0.00 1.04 -1.26 -4.68 113.70 106.73 2vca s SER 683 Ca -0.07 -0.59 -0.10 0.00 0.48 0.00 0.00 55.95 55.66 2vca s SER 683 Cb 0.07 -0.84 0.26 0.00 0.10 0.00 0.00 66.02 65.61 2vca s SER 683 CO 0.84 0.04 1.72 0.74 0.98 0.00 0.00 173.24 177.56 2vca h THR 684 N 2.16 0.70 -0.47 2.02 2.02 -1.80 -2.35 112.91 115.20 2vca h THR 684 Ca -0.45 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.62 2vca h THR 684 Cb 1.23 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2vca h THR 684 CO 0.59 0.06 0.00 0.79 0.37 0.00 0.00 175.52 177.32 2vca n TRP 685 N -5.08 1.66 -2.61 3.16 8.01 -1.26 -4.98 117.44 116.35 2vca n TRP 685 Ca 0.08 -0.77 -0.07 0.00 -1.31 0.00 0.00 57.50 55.43 2vca n TRP 685 Cb 0.29 -0.43 0.03 0.00 -2.01 0.00 0.00 31.31 29.19 2vca n TRP 685 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2vca n GLY 686 N 0.28 1.19 3.37 6.99 0.00 -0.89 -4.59 105.19 111.54 2vca n GLY 686 Ca 0.25 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.08 2vca n GLY 686 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2vca s HIS 687 N -0.56 -0.44 -1.06 1.61 -3.43 -1.26 -4.81 115.29 105.34 2vca s HIS 687 Ca 0.20 0.91 0.09 0.00 -0.80 0.00 0.00 55.06 55.46 2vca s HIS 687 Cb -0.01 0.21 0.06 0.00 -1.43 0.00 0.00 32.58 31.40 2vca s HIS 687 CO 0.13 -0.39 0.75 -1.13 -2.00 0.00 0.00 174.74 172.11 2vca n SER 688 N 1.83 1.66 -4.65 7.38 3.41 -0.60 -0.83 113.62 121.82 2vca n SER 688 Ca -0.18 -1.33 -0.42 0.00 -0.26 0.00 0.00 58.87 56.68 2vca n SER 688 Cb 0.56 0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 2vca n SER 688 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2vca s LYS 689 N -0.79 4.10 -0.35 4.33 2.47 -1.26 -4.74 119.74 123.50 2vca s LYS 689 Ca 0.10 2.03 -0.19 0.00 -1.56 0.00 0.00 55.97 56.34 2vca s LYS 689 Cb 0.07 -3.97 -0.00 0.00 -1.46 0.00 0.00 37.83 32.47 2vca s LYS 689 CO 0.12 -0.93 0.57 0.42 0.16 0.00 0.00 175.35 175.69 2vca s ILE 690 N 4.24 4.96 -1.42 5.43 -1.09 -1.26 -4.85 121.20 127.22 2vca s ILE 690 Ca 0.71 0.46 0.11 0.00 -2.23 0.00 0.00 60.65 59.71 2vca s ILE 690 Cb -0.30 -4.02 0.43 0.00 -1.58 0.00 0.00 42.46 36.99 2vca s ILE 690 CO 0.28 -0.26 1.29 1.33 -1.23 0.00 0.00 174.94 176.35 2vca n VAL 691 N 5.50 1.02 -4.20 2.92 0.24 -1.26 -4.84 118.33 117.70 2vca n VAL 691 Ca -0.03 -0.69 -0.15 0.00 -2.04 0.00 0.00 64.34 61.43 2vca n VAL 691 Cb 0.49 0.03 -0.11 0.00 -1.47 0.00 0.00 33.84 32.78 2vca n VAL 691 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 2vca s TYR 692 N -1.67 1.16 -0.05 6.34 -0.85 -1.26 -5.09 117.35 115.94 2vca s TYR 692 Ca 0.31 -0.67 -0.30 0.00 -0.52 0.00 0.00 57.07 55.89 2vca s TYR 692 Cb 0.19 -0.62 -0.06 0.00 0.38 0.00 0.00 41.96 41.85 2vca s TYR 692 CO 0.16 0.04 1.80 0.34 -1.52 0.00 0.00 175.55 176.36 2vca s ASP 693 N -2.63 6.49 0.20 -0.18 2.15 -1.26 -4.89 116.67 116.54 2vca s ASP 693 Ca 0.09 2.31 -0.09 0.00 0.43 0.00 0.00 52.55 55.29 2vca s ASP 693 Cb -0.02 -2.53 0.11 0.00 -0.30 0.00 0.00 42.92 40.18 2vca s ASP 693 CO 0.01 -1.07 1.71 0.11 -0.17 0.00 0.00 175.17 175.76 2vca h LYS 694 N 10.37 1.12 -0.15 4.34 1.57 -1.99 -2.56 116.57 129.28 2vca h LYS 694 Ca -0.42 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.00 2vca h LYS 694 Cb 1.20 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 2vca h LYS 694 CO 0.95 0.99 -0.31 0.77 -0.57 0.00 0.00 179.45 181.29 2vca h SER 695 N 1.06 0.28 -0.22 0.86 0.02 -1.95 -1.61 113.55 111.99 2vca h SER 695 Ca 0.22 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2vca h SER 695 Cb 0.37 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2vca h SER 695 CO 0.00 0.59 0.01 -0.08 -1.14 0.00 0.00 176.83 176.21 2vca h GLU 696 N 0.25 0.39 -0.92 3.45 4.57 -1.92 -3.11 114.58 117.28 2vca h GLU 696 Ca 0.03 -0.12 0.04 0.00 -1.18 0.00 0.00 59.36 58.13 2vca h GLU 696 Cb 0.67 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.17 2vca h GLU 696 CO 0.05 0.56 0.59 0.35 -1.18 0.00 0.00 179.01 179.39 2vca h PHE 697 N 0.16 1.11 -0.17 0.92 3.57 -1.17 -2.07 116.94 119.28 2vca h PHE 697 Ca 0.06 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.64 2vca h PHE 697 Cb 0.38 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 2vca h PHE 697 CO 0.03 0.63 0.19 0.93 -2.23 0.00 0.00 178.31 177.87 2vca h GLU 698 N 1.14 0.00 -0.41 1.11 5.08 -1.23 -1.58 114.58 118.69 2vca h GLU 698 Ca 0.37 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 2vca h GLU 698 Cb 0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2vca h GLU 698 CO -0.13 0.00 0.15 0.87 -1.00 0.00 0.00 179.01 178.90 2vca h LYS 699 N 0.00 0.58 -0.77 2.33 1.57 -1.36 -2.15 116.57 116.77 2vca h LYS 699 Ca 0.08 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2vca h LYS 699 Cb 0.47 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 2vca h LYS 699 CO -0.00 0.49 0.50 0.00 -0.57 0.00 0.00 179.45 179.87 2vca h ALA 700 N 1.59 0.98 -0.38 3.86 0.00 -1.41 -1.69 119.26 122.21 2vca h ALA 700 Ca 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2vca h ALA 700 Cb 0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2vca h ALA 700 CO -0.01 0.40 0.13 0.82 0.00 0.00 0.00 179.25 180.59 2vca h ILE 701 N 1.04 1.20 -0.54 0.00 5.03 -1.50 -1.31 117.51 121.44 2vca h ILE 701 Ca 0.28 -0.65 0.07 0.00 -0.12 0.00 0.00 64.86 64.44 2vca h ILE 701 Cb -0.11 0.92 -0.06 0.00 -3.03 0.00 0.00 36.82 34.54 2vca h ILE 701 CO -0.06 0.23 0.22 -0.33 -0.68 0.00 0.00 178.15 177.53 2vca h GLU 702 N 0.46 0.41 -0.32 2.37 5.08 -1.20 0.71 114.58 122.09 2vca h GLU 702 Ca 0.12 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2vca h GLU 702 Cb 0.22 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2vca h GLU 702 CO -0.01 0.27 0.06 0.82 -1.00 0.00 0.00 179.01 179.15 2vca h ILE 703 N 0.43 1.23 -0.76 3.13 2.04 -1.18 -1.34 117.51 121.06 2vca h ILE 703 Ca 0.26 -0.81 0.06 0.00 1.00 0.00 0.00 64.86 65.37 2vca h ILE 703 Cb 0.25 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 2vca h ILE 703 CO -0.23 0.27 0.45 -0.26 0.00 0.00 0.00 178.15 178.37 2vca h PHE 704 N 0.36 0.82 -0.73 1.37 -1.00 -0.87 -1.61 116.94 115.28 2vca h PHE 704 Ca 0.10 0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.84 2vca h PHE 704 Cb 0.34 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.61 2vca h PHE 704 CO 0.02 0.40 0.21 0.00 -1.61 0.00 0.00 178.31 177.33 2vca h ALA 705 N 1.38 0.96 -0.06 2.45 0.00 -0.66 -0.45 119.26 122.88 2vca h ALA 705 Ca 0.33 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2vca h ALA 705 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2vca h ALA 705 CO -0.18 0.66 -0.19 -0.22 0.00 0.00 0.00 179.25 179.32 2vca h LYS 706 N 1.09 0.10 -0.54 0.00 3.64 -0.81 -2.95 116.57 117.10 2vca h LYS 706 Ca 0.23 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2vca h LYS 706 Cb 0.34 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2vca h LYS 706 CO -0.00 0.29 0.00 0.09 -2.27 0.00 0.00 179.45 177.56 2vca n ASN 707 N -4.27 3.46 0.09 4.20 3.02 -0.65 -4.71 115.26 116.41 2vca n ASN 707 Ca -0.02 -1.99 -0.12 0.00 -0.03 0.00 0.00 54.58 52.42 2vca n ASN 707 Cb 0.28 -0.36 -0.05 0.00 -0.61 0.00 0.00 39.78 39.04 2vca n ASN 707 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2vca h TYR 708 N 3.32 -0.61 0.00 3.10 3.20 -0.90 -2.21 116.97 122.86 2vca h TYR 708 Ca 0.00 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2vca h TYR 708 Cb 0.87 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 2vca h TYR 708 CO 0.36 -0.33 -0.23 0.22 -1.64 0.00 0.00 178.16 176.54 2vca h ASP 709 N -0.41 0.00 0.95 -2.11 3.58 -1.84 0.20 116.42 116.79 2vca h ASP 709 Ca 0.04 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.32 2vca h ASP 709 Cb 0.45 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 2vca h ASP 709 CO -0.16 0.23 -0.82 -0.08 -2.88 0.00 0.00 179.24 175.54 2vca h GLU 710 N 0.00 0.00 -0.01 0.28 4.81 -1.86 -3.35 114.58 114.45 2vca h GLU 710 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2vca h GLU 710 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2vca h GLU 710 CO 0.03 0.82 -0.29 1.19 -0.73 0.00 0.00 179.01 180.03 2vca n PHE 711 N -3.46 0.00 0.27 0.92 3.72 -0.73 -4.64 117.46 113.54 2vca n PHE 711 Ca -0.00 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.57 2vca n PHE 711 Cb 0.81 0.00 0.87 0.00 -0.94 0.00 0.00 39.48 40.22 2vca n PHE 711 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2vca h LYS 712 N 1.65 0.00 -0.00 -1.08 2.10 -0.79 -0.97 116.57 117.48 2vca h LYS 712 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2vca h LYS 712 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2vca h LYS 712 CO 0.00 0.00 -0.00 -0.40 -2.00 0.00 0.00 179.45 177.05 2vca n ASP 713 N -2.68 0.30 -4.50 7.07 3.85 -1.26 -4.65 116.55 114.68 2vca n ASP 713 Ca -0.02 -1.07 -0.39 0.00 -0.71 0.00 0.00 54.79 52.61 2vca n ASP 713 Cb 0.08 -0.01 -0.11 0.00 -1.35 0.00 0.00 41.12 39.73 2vca n ASP 713 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 2vca s SER 714 N -2.02 5.73 0.24 -1.12 0.15 -0.37 -4.98 113.70 111.33 2vca s SER 714 Ca 0.45 -0.33 -0.04 0.00 0.70 0.00 0.00 55.95 56.74 2vca s SER 714 Cb 0.22 -2.05 0.26 0.00 -1.71 0.00 0.00 66.02 62.73 2vca s SER 714 CO 0.37 -0.15 1.74 -0.78 1.20 0.00 0.00 173.24 175.62 2vca h ASP 715 N 8.37 0.86 -0.15 5.45 3.58 -1.82 -2.23 116.42 130.49 2vca h ASP 715 Ca -0.34 -0.21 -0.06 0.00 0.42 0.00 0.00 57.03 56.85 2vca h ASP 715 Cb 1.16 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.97 2vca h ASP 715 CO 0.60 0.90 -0.08 0.00 -2.88 0.00 0.00 179.24 177.78 2vca h ALA 716 N 1.19 1.33 -0.30 -0.78 0.00 -1.82 0.13 119.26 119.02 2vca h ALA 716 Ca 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2vca h ALA 716 Cb 0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2vca h ALA 716 CO 0.02 0.45 0.10 0.35 0.00 0.00 0.00 179.25 180.17 2vca h PHE 717 N 0.44 0.48 -0.80 0.00 3.57 -1.74 -1.14 116.94 117.75 2vca h PHE 717 Ca 0.09 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2vca h PHE 717 Cb 0.41 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 2vca h PHE 717 CO 0.01 0.48 0.51 -0.07 -2.23 0.00 0.00 178.31 177.01 2vca h LEU 718 N 0.34 0.94 0.01 0.59 3.38 -1.03 0.15 115.31 119.69 2vca h LEU 718 Ca 0.10 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2vca h LEU 718 Cb 0.22 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2vca h LEU 718 CO -0.00 0.71 -0.15 0.22 0.09 0.00 0.00 178.44 179.31 2vca h TYR 719 N 1.09 -0.38 -0.52 1.13 3.20 -0.88 -0.53 116.97 120.09 2vca h TYR 719 Ca 0.29 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.07 2vca h TYR 719 Cb -0.08 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 2vca h TYR 719 CO -0.01 -0.22 -0.06 -0.44 -1.64 0.00 0.00 178.16 175.79 2vca h ASP 720 N -0.25 0.92 -0.12 -2.11 3.32 -0.91 -1.02 116.42 116.24 2vca h ASP 720 Ca 0.05 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2vca h ASP 720 Cb 0.31 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2vca h ASP 720 CO -0.13 1.01 0.07 0.15 -1.72 0.00 0.00 179.24 178.62 2vca h PHE 721 N 0.84 0.14 -0.91 4.55 3.04 -0.54 -0.73 116.94 123.33 2vca h PHE 721 Ca 0.14 0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.16 2vca h PHE 721 Cb 0.58 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 38.98 2vca h PHE 721 CO 0.04 0.09 0.58 0.00 -2.02 0.00 0.00 178.31 176.99 2vca h ALA 722 N 1.05 1.26 -0.26 2.41 0.00 -0.94 -1.21 119.26 121.57 2vca h ALA 722 Ca 0.04 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2vca h ALA 722 Cb -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2vca h ALA 722 CO -0.01 0.35 0.12 -0.44 0.00 0.00 0.00 179.25 179.27 2vca h ASP 723 N 1.06 0.18 0.52 0.00 5.19 -0.56 -1.69 116.42 121.11 2vca h ASP 723 Ca 0.39 0.01 -0.22 0.00 -0.62 0.00 0.00 57.03 56.60 2vca h ASP 723 Cb 0.16 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.64 2vca h ASP 723 CO -0.17 0.14 -0.96 0.16 -3.12 0.00 0.00 179.24 175.29 2vca h ILE 724 N 0.26 1.47 -0.39 0.35 3.07 -0.98 -2.82 117.51 118.47 2vca h ILE 724 Ca 0.11 -2.65 -0.15 0.00 1.55 0.00 0.00 64.86 63.72 2vca h ILE 724 Cb 0.04 2.53 -0.01 0.00 -0.27 0.00 0.00 36.82 39.11 2vca h ILE 724 CO -0.08 0.78 -0.36 0.25 -1.05 0.00 0.00 178.15 177.69 2vca h LEU 725 N 0.14 0.97 -1.12 0.16 5.85 -1.21 -0.05 115.31 120.06 2vca h LEU 725 Ca -0.07 -0.43 -0.09 0.00 0.84 0.00 0.00 57.88 58.13 2vca h LEU 725 Cb 1.61 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 2vca h LEU 725 CO 0.15 1.22 -0.43 0.07 -0.34 0.00 0.00 178.44 179.11 2vca h LYS 726 N 0.76 0.01 -0.40 1.25 2.10 -1.38 -2.04 116.57 116.87 2vca h LYS 726 Ca 0.07 -0.01 -0.08 0.00 -2.00 0.00 0.00 60.65 58.63 2vca h LYS 726 Cb 0.94 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.26 2vca h LYS 726 CO 0.09 0.44 -0.07 0.37 -2.00 0.00 0.00 179.45 178.28 2vca h GLN 727 N 0.01 0.75 -0.24 0.07 5.75 -1.24 -0.56 115.11 119.65 2vca h GLN 727 Ca -0.00 -0.28 0.05 0.00 -0.15 0.00 0.00 58.65 58.27 2vca h GLN 727 Cb 0.77 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.22 2vca h GLN 727 CO 0.06 0.87 -0.08 1.25 -2.65 0.00 0.00 178.83 178.28 2vca h LEU 728 N 0.57 -0.27 -0.74 -2.39 6.46 -0.73 -0.39 115.31 117.82 2vca h LEU 728 Ca 0.10 0.08 -0.12 0.00 -0.12 0.00 0.00 57.88 57.83 2vca h LEU 728 Cb 0.58 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 2vca h LEU 728 CO 0.03 -0.10 -0.28 -0.07 -0.62 0.00 0.00 178.44 177.41 2vca h LEU 729 N -0.03 0.67 -0.42 2.25 3.38 -1.30 -1.08 115.31 118.78 2vca h LEU 729 Ca 0.12 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.87 2vca h LEU 729 Cb 0.21 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2vca h LEU 729 CO -0.26 0.92 0.22 0.00 0.09 0.00 0.00 178.44 179.40 2vca h ALA 730 N 1.13 0.53 -0.50 1.53 0.00 -0.90 -1.30 119.26 119.75 2vca h ALA 730 Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2vca h ALA 730 Cb 0.76 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2vca h ALA 730 CO 0.06 -0.13 0.27 -0.91 0.00 0.00 0.00 179.25 178.54 2vca h ASN 731 N 0.45 0.63 0.45 0.00 2.35 -0.69 -2.99 115.58 115.78 2vca h ASN 731 Ca 0.18 -0.10 -0.19 0.00 -0.55 0.00 0.00 56.30 55.64 2vca h ASN 731 Cb 0.06 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2vca h ASN 731 CO -0.11 0.55 -0.80 0.77 -1.65 0.00 0.00 177.43 176.19 2vca h SER 732 N 0.66 0.33 -1.01 5.81 4.64 -1.15 -3.15 113.55 119.68 2vca h SER 732 Ca 0.17 -0.24 0.07 0.00 -0.47 0.00 0.00 61.79 61.33 2vca h SER 732 Cb 0.07 -0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 61.99 2vca h SER 732 CO -0.03 1.00 0.65 0.00 -0.87 0.00 0.00 176.83 177.58 2vca h ALA 733 N 0.99 1.41 -0.76 5.18 0.00 -1.16 -0.82 119.26 124.09 2vca h ALA 733 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2vca h ALA 733 Cb 1.39 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 2vca h ALA 733 CO 0.13 0.43 0.49 0.37 0.00 0.00 0.00 179.25 180.67 2vca h GLN 734 N 1.17 1.01 -0.19 0.00 4.15 -1.48 0.23 115.11 119.99 2vca h GLN 734 Ca 0.44 -0.07 -0.20 0.00 0.77 0.00 0.00 58.65 59.59 2vca h GLN 734 Cb 0.20 -0.22 0.01 0.00 0.21 0.00 0.00 27.48 27.67 2vca h GLN 734 CO -0.18 0.67 -0.66 0.93 -1.93 0.00 0.00 178.83 177.66 2vca h GLU 735 N 1.03 0.79 -0.35 1.69 4.39 -1.34 -2.71 114.58 118.08 2vca h GLU 735 Ca 0.28 -0.59 -0.11 0.00 0.34 0.00 0.00 59.36 59.28 2vca h GLU 735 Cb -0.10 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2vca h GLU 735 CO -0.06 1.21 -0.22 1.88 -1.16 0.00 0.00 179.01 180.66 2vca h TYR 736 N 0.53 0.77 -0.48 4.33 0.05 -0.75 -2.52 116.97 118.90 2vca h TYR 736 Ca -0.03 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.59 2vca h TYR 736 Cb 1.29 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.82 2vca h TYR 736 CO 0.09 0.85 0.31 -0.92 -1.05 0.00 0.00 178.16 177.43 2vca h TYR 737 N 0.60 0.61 0.15 4.88 3.20 -0.56 -1.77 116.97 124.08 2vca h TYR 737 Ca 0.09 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.98 2vca h TYR 737 Cb 0.70 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.73 2vca h TYR 737 CO 0.03 0.40 -0.33 0.93 -1.64 0.00 0.00 178.16 177.54 2vca h GLU 738 N 0.65 -0.56 -1.00 1.82 5.08 -1.32 -1.23 114.58 118.03 2vca h GLU 738 Ca 0.18 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.74 2vca h GLU 738 Cb -0.06 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.22 2vca h GLU 738 CO -0.04 -0.37 0.62 0.28 -1.00 0.00 0.00 179.01 178.50 2vca h VAL 739 N -0.58 0.77 0.08 3.13 2.07 -1.23 -0.24 116.25 120.26 2vca h VAL 739 Ca 0.02 -0.28 -0.25 0.00 0.82 0.00 0.00 66.70 67.01 2vca h VAL 739 Cb 0.60 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2vca h VAL 739 CO -0.18 0.15 -1.14 0.00 0.02 0.00 0.00 177.57 176.41 2vca h MET 740 N 0.81 0.20 -0.64 1.57 -0.00 -0.98 -0.96 114.93 114.93 2vca h MET 740 Ca 0.54 -0.33 -0.07 0.00 -0.00 0.00 0.00 59.70 59.85 2vca h MET 740 Cb 0.78 0.12 -0.03 0.00 -0.00 0.00 0.00 31.60 32.48 2vca h MET 740 CO -0.33 1.14 0.13 0.00 -0.00 0.00 0.00 176.91 177.85 2vca h ASN 742 N 0.97 0.51 0.16 0.00 2.35 -0.67 -2.28 115.58 116.62 2vca h ASN 742 Ca 0.20 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.89 2vca h ASN 742 Cb 0.40 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2vca h ASN 742 CO 0.01 0.37 -0.20 0.00 -1.65 0.00 0.00 177.43 175.96 2vca h ALA 743 N 1.20 1.57 -0.01 -0.83 0.00 -1.10 -1.94 119.26 118.16 2vca h ALA 743 Ca 0.19 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2vca h ALA 743 Cb -0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2vca h ALA 743 CO -0.07 0.31 0.00 -0.92 0.00 0.00 0.00 179.25 178.58 2vca h TYR 744 N 0.08 0.01 0.00 0.00 5.03 -1.05 -0.28 116.97 120.75 2vca h TYR 744 Ca 0.01 -0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.22 2vca h TYR 744 Cb 0.40 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.67 2vca h TYR 744 CO 0.00 0.15 -0.49 -0.91 -1.32 0.00 0.00 178.16 175.58 2vca h ASN 745 N -0.13 0.00 -0.13 -2.11 -0.26 -0.88 -0.12 115.58 111.94 2vca h ASN 745 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2vca h ASN 745 Cb 0.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 2vca h ASN 745 CO -0.00 0.49 0.00 0.59 -1.06 0.00 0.00 177.43 177.45 2vca n ASN 746 N -3.45 1.24 -0.65 5.81 3.02 -0.78 -4.93 115.26 115.52 2vca n ASN 746 Ca 0.00 -1.67 -0.08 0.00 -0.03 0.00 0.00 54.58 52.80 2vca n ASN 746 Cb 0.62 -0.09 -0.04 0.00 -0.61 0.00 0.00 39.78 39.67 2vca n ASN 746 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vca n GLY 747 N 1.03 0.98 3.43 7.41 0.00 -0.06 -4.95 105.19 113.03 2vca n GLY 747 Ca 0.15 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 2vca n GLY 747 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2vca s ASN 748 N -2.59 6.75 0.24 1.61 3.84 -0.12 -4.88 114.94 119.79 2vca s ASN 748 Ca 0.00 -2.34 -0.07 0.00 0.21 0.00 0.00 52.86 50.66 2vca s ASN 748 Cb 0.00 -2.37 0.26 0.00 -0.55 0.00 0.00 41.25 38.60 2vca s ASN 748 CO 0.00 -0.92 1.89 1.23 -2.79 0.00 0.00 177.10 176.51 2vca h GLY 749 N 9.83 1.28 1.12 1.21 0.00 -1.86 -1.28 103.07 113.37 2vca h GLY 749 Ca 0.18 -0.44 -0.24 0.00 0.00 0.00 0.00 47.33 46.83 2vca h GLY 749 CO 1.08 0.38 -0.91 0.83 0.00 0.00 0.00 176.54 177.92 2vca h GLU 750 N 1.11 0.67 -0.41 4.80 5.08 -1.95 -2.53 114.58 121.36 2vca h GLU 750 Ca 0.35 -0.68 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 2vca h GLU 750 Cb -0.01 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2vca h GLU 750 CO -0.11 1.27 0.19 -0.22 -1.00 0.00 0.00 179.01 179.14 2vca h LYS 751 N 0.33 0.59 -0.62 2.33 3.64 -1.91 -2.43 116.57 118.51 2vca h LYS 751 Ca -0.11 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.20 2vca h LYS 751 Cb 1.57 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.25 2vca h LYS 751 CO 0.18 0.53 0.39 0.35 -2.27 0.00 0.00 179.45 178.63 2vca h PHE 752 N 0.51 0.73 -0.49 1.91 3.57 -1.22 0.27 116.94 122.22 2vca h PHE 752 Ca 0.14 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.71 2vca h PHE 752 Cb 0.14 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 2vca h PHE 752 CO -0.01 0.43 0.23 -0.22 -2.23 0.00 0.00 178.31 176.51 2vca h LYS 753 N 0.77 0.44 0.01 1.11 3.64 -1.28 0.12 116.57 121.37 2vca h LYS 753 Ca 0.24 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2vca h LYS 753 Cb -0.01 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2vca h LYS 753 CO -0.09 0.29 -0.01 0.35 -2.27 0.00 0.00 179.45 177.73 2vca h PHE 754 N 0.45 -0.02 -0.48 1.91 3.57 -0.99 -0.81 116.94 120.57 2vca h PHE 754 Ca 0.22 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.59 2vca h PHE 754 Cb 0.16 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2vca h PHE 754 CO -0.12 0.39 -0.22 0.28 -2.23 0.00 0.00 178.31 176.40 2vca h VAL 755 N -0.42 1.27 -0.04 1.41 2.07 -0.89 -1.85 116.25 117.79 2vca h VAL 755 Ca -0.00 -1.39 -0.12 0.00 0.82 0.00 0.00 66.70 66.00 2vca h VAL 755 Cb 0.41 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2vca h VAL 755 CO 0.00 0.48 -0.54 0.77 0.02 0.00 0.00 177.57 178.30 2vca h SER 756 N 0.86 0.14 -0.21 0.57 4.64 -0.83 -1.38 113.55 117.33 2vca h SER 756 Ca 0.11 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2vca h SER 756 Cb 0.81 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 2vca h SER 756 CO 0.07 0.66 0.12 1.23 -0.87 0.00 0.00 176.83 178.03 2vca h GLY 757 N 1.52 0.32 1.30 -0.77 0.00 -0.92 -1.43 103.07 103.08 2vca h GLY 757 Ca -0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 2vca h GLY 757 CO 0.08 0.14 0.24 0.50 0.00 0.00 0.00 176.54 177.49 2vca h LYS 758 N 0.24 0.89 -0.48 4.80 1.79 -1.18 -1.40 116.57 121.24 2vca h LYS 758 Ca 0.08 -0.14 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 2vca h LYS 758 Cb 0.06 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 2vca h LYS 758 CO -0.01 0.73 0.22 0.35 -1.08 0.00 0.00 179.45 179.66 2vca h PHE 759 N 0.88 0.70 -0.45 -1.35 3.57 -1.04 0.35 116.94 119.59 2vca h PHE 759 Ca 0.21 -0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.54 2vca h PHE 759 Cb 0.18 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2vca h PHE 759 CO 0.01 0.57 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.36 2vca h LEU 760 N 0.63 0.96 -1.11 0.59 3.38 -1.03 -2.53 115.31 116.20 2vca h LEU 760 Ca 0.16 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2vca h LEU 760 Cb 0.14 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2vca h LEU 760 CO -0.02 1.15 0.28 -0.33 0.09 0.00 0.00 178.44 179.61 2vca h GLU 761 N 0.81 0.91 -0.67 1.13 5.08 -1.13 -2.18 114.58 118.52 2vca h GLU 761 Ca 0.10 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2vca h GLU 761 Cb 0.80 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 2vca h GLU 761 CO 0.07 0.72 0.42 1.25 -1.00 0.00 0.00 179.01 180.47 2vca h LEU 762 N 0.90 0.69 -0.94 1.33 6.46 -0.68 -1.48 115.31 121.60 2vca h LEU 762 Ca 0.22 -0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.90 2vca h LEU 762 Cb 0.13 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.89 2vca h LEU 762 CO -0.03 0.48 -0.03 0.40 -0.62 0.00 0.00 178.44 178.64 2vca h ILE 763 N 0.83 1.24 -0.54 4.05 2.04 -1.09 -0.82 117.51 123.21 2vca h ILE 763 Ca 0.27 -1.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 2vca h ILE 763 Cb 0.01 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2vca h ILE 763 CO -0.10 0.35 0.02 0.11 0.00 0.00 0.00 178.15 178.53 2vca h LYS 764 N 0.69 0.90 -0.53 2.37 1.57 -1.02 -0.24 116.57 120.31 2vca h LYS 764 Ca 0.13 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 2vca h LYS 764 Cb 0.47 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2vca h LYS 764 CO 0.02 0.89 0.12 1.25 -0.57 0.00 0.00 179.45 181.16 2vca h LEU 765 N 0.84 0.81 -0.53 2.94 5.85 -1.04 -2.85 115.31 121.34 2vca h LEU 765 Ca 0.16 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.72 2vca h LEU 765 Cb 0.47 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 2vca h LEU 765 CO 0.02 0.84 0.19 -0.61 -0.34 0.00 0.00 178.44 178.54 2vca h GLN 766 N 0.74 0.36 -0.98 1.25 5.75 -0.68 -1.14 115.11 120.42 2vca h GLN 766 Ca 0.16 -0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.73 2vca h GLN 766 Cb 0.35 -0.08 -0.07 0.00 1.07 0.00 0.00 27.48 28.75 2vca h GLN 766 CO 0.00 0.24 0.62 1.49 -2.65 0.00 0.00 178.83 178.54 2vca h GLU 767 N 0.37 1.05 -0.52 1.69 4.57 -0.93 0.48 114.58 121.29 2vca h GLU 767 Ca 0.25 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.32 2vca h GLU 767 Cb 0.28 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 2vca h GLU 767 CO -0.26 0.70 0.14 0.00 -1.18 0.00 0.00 179.01 178.41 2vca h ARG 768 N 1.08 0.83 -0.29 1.92 3.08 -1.15 -0.92 114.38 118.93 2vca h ARG 768 Ca 0.45 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 2vca h ARG 768 Cb 0.27 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2vca h ARG 768 CO -0.20 0.78 0.18 0.28 -1.07 0.00 0.00 179.97 179.94 2vca h VAL 769 N 0.72 1.09 -0.11 2.04 2.07 -0.31 -2.90 116.25 118.86 2vca h VAL 769 Ca 0.17 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 2vca h VAL 769 Cb 0.32 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2vca h VAL 769 CO -0.00 0.09 -0.25 -0.07 0.02 0.00 0.00 177.57 177.36 2vca h LEU 770 N 0.38 0.18 -2.05 2.57 3.38 -0.81 -2.83 115.31 116.14 2vca h LEU 770 Ca 0.11 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2vca h LEU 770 Cb -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2vca h LEU 770 CO -0.02 0.45 0.00 0.77 0.09 0.00 0.00 178.44 179.73 2vca h SER 771 N 0.17 0.00 1.41 -0.43 4.64 -0.95 -2.95 113.55 115.45 2vca h SER 771 Ca 0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2vca h SER 771 Cb 0.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2vca h SER 771 CO 0.04 0.00 -0.04 0.71 -0.87 0.00 0.00 176.83 176.67 2vca h THR 772 N 0.00 0.08 -3.37 2.95 1.35 -1.56 0.47 112.91 112.83 2vca h THR 772 Ca 0.00 -0.82 -0.65 0.00 -0.55 0.00 0.00 66.41 64.39 2vca h THR 772 Cb 0.04 1.76 -0.26 0.00 -1.73 0.00 0.00 68.15 67.96 2vca h THR 772 CO 0.00 0.04 -0.71 -0.13 -0.25 0.00 0.00 175.52 174.47 2vca s ARG 773 N -3.46 3.47 0.36 4.72 1.81 -1.12 -4.59 118.95 120.15 2vca s ARG 773 Ca 0.03 -0.60 0.10 0.00 -1.72 0.00 0.00 55.73 53.54 2vca s ARG 773 Cb 0.07 -2.92 0.84 0.00 -0.45 0.00 0.00 34.95 32.50 2vca s ARG 773 CO 0.61 0.01 1.86 -1.35 -0.68 0.00 0.00 175.30 175.75 2vca h PRO 774 N 7.43 0.64 0.00 3.54 0.11 -1.88 -1.82 132.00 140.03 2vca h PRO 774 Ca -0.35 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2vca h PRO 774 Cb 1.18 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2vca h PRO 774 CO 0.60 0.43 0.00 1.05 -0.21 0.00 0.00 178.00 179.86 2vca h GLU 775 N 0.66 0.00 -0.50 1.05 9.09 -1.94 -2.63 114.58 120.30 2vca h GLU 775 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.87 2vca h GLU 775 Cb 0.79 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.89 2vca h GLU 775 CO -0.22 0.00 0.00 1.19 0.05 0.00 0.00 179.01 180.03 2vca n PHE 776 N -2.41 0.67 -3.22 2.06 3.72 -0.68 -4.93 117.46 112.65 2vca n PHE 776 Ca 0.02 -0.33 -0.40 0.00 -0.05 0.00 0.00 57.45 56.69 2vca n PHE 776 Cb 0.25 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.72 2vca n PHE 776 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2vca s LEU 777 N -1.21 4.09 0.48 4.37 1.43 -0.99 -0.02 118.68 126.84 2vca s LEU 777 Ca 0.40 0.61 0.18 0.00 -1.03 0.00 0.00 54.13 54.28 2vca s LEU 777 Cb 0.21 -2.71 1.18 0.00 0.03 0.00 0.00 46.19 44.91 2vca s LEU 777 CO 0.29 -0.25 2.02 -0.29 0.23 0.00 0.00 176.35 178.35 2vca h ILE 778 N 5.28 0.87 -0.13 -0.59 6.09 -1.79 -2.57 117.51 124.67 2vca h ILE 778 Ca -0.31 -0.07 -0.00 0.00 -1.37 0.00 0.00 64.86 63.11 2vca h ILE 778 Cb 1.14 0.64 -0.01 0.00 0.47 0.00 0.00 36.82 39.07 2vca h ILE 778 CO 0.73 0.04 0.08 1.23 -3.07 0.00 0.00 178.15 177.16 2vca h GLY 779 N 0.21 0.19 0.63 8.18 0.00 -1.82 -1.03 103.07 109.43 2vca h GLY 779 Ca 0.21 -0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.37 2vca h GLY 779 CO -0.04 0.07 -0.39 3.43 0.00 0.00 0.00 176.54 179.61 2vca h ASN 780 N 0.18 0.37 -0.08 0.19 2.35 -1.63 -1.13 115.58 115.84 2vca h ASN 780 Ca 0.05 -0.74 0.04 0.00 -0.55 0.00 0.00 56.30 55.10 2vca h ASN 780 Cb -0.01 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 2vca h ASN 780 CO -0.01 1.06 -0.18 -0.25 -1.65 0.00 0.00 177.43 176.40 2vca h TRP 781 N -0.28 -0.47 -0.19 1.19 2.91 -1.52 -0.61 115.95 116.98 2vca h TRP 781 Ca -0.04 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.98 2vca h TRP 781 Cb 1.10 0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 29.96 2vca h TRP 781 CO 0.16 -0.26 0.05 0.82 -1.03 0.00 0.00 178.44 178.18 2vca h ILE 782 N -0.25 1.20 -0.75 2.65 2.04 -1.27 -2.53 117.51 118.60 2vca h ILE 782 Ca 0.08 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 2vca h ILE 782 Cb 0.37 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 2vca h ILE 782 CO -0.23 0.20 0.30 -0.08 0.00 0.00 0.00 178.15 178.35 2vca h GLU 783 N 0.13 1.12 -0.43 2.37 4.81 -1.14 -1.07 114.58 120.38 2vca h GLU 783 Ca 0.06 -0.20 0.07 0.00 -0.13 0.00 0.00 59.36 59.16 2vca h GLU 783 Cb 0.27 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 2vca h GLU 783 CO 0.00 0.92 0.06 -0.44 -0.73 0.00 0.00 179.01 178.81 2vca h ASP 784 N 1.09 -0.05 -0.40 1.04 5.19 -1.06 -1.10 116.42 121.12 2vca h ASP 784 Ca 0.25 0.08 0.03 0.00 -0.62 0.00 0.00 57.03 56.78 2vca h ASP 784 Cb 0.21 0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.81 2vca h ASP 784 CO -0.02 0.01 0.18 0.00 -3.12 0.00 0.00 179.24 176.29 2vca h ALA 785 N 1.35 0.49 0.00 3.45 0.00 -0.96 -1.38 119.26 122.20 2vca h ALA 785 Ca 0.21 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2vca h ALA 785 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2vca h ALA 785 CO -0.30 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 178.76 2vca h ARG 786 N 0.38 0.00 -0.05 0.00 3.08 -0.73 -3.22 114.38 113.84 2vca h ARG 786 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2vca h ARG 786 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2vca h ARG 786 CO -0.14 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.01 2vca n THR 787 N -3.00 1.02 0.22 2.04 -2.24 -0.46 -4.75 114.28 107.11 2vca n THR 787 Ca 0.01 -1.03 0.08 0.00 -2.27 0.00 0.00 64.05 60.85 2vca n THR 787 Cb 0.32 0.48 0.50 0.00 -2.10 0.00 0.00 70.33 69.54 2vca n THR 787 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vca h MET 788 N 0.31 0.00 -6.28 -0.78 -0.00 -1.27 -3.42 114.93 103.49 2vca h MET 788 Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 59.70 59.12 2vca h MET 788 Cb 0.55 0.00 -0.10 0.00 -0.00 0.00 0.00 31.60 32.05 2vca h MET 788 CO 0.00 0.26 -0.64 -0.51 -0.00 0.00 0.00 176.91 176.02 2vca s LEU 789 N -7.33 3.36 0.02 -0.10 1.43 -1.26 -4.91 118.68 109.89 2vca s LEU 789 Ca -0.01 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.65 2vca s LEU 789 Cb 0.12 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2vca s LEU 789 CO 0.65 0.05 0.13 -0.75 0.23 0.00 0.00 176.35 176.66 2vca s LYS 790 N -3.24 3.19 -0.85 1.70 2.47 -1.26 -4.41 119.74 117.33 2vca s LYS 790 Ca 0.29 -0.48 -0.03 0.00 -1.56 0.00 0.00 55.97 54.20 2vca s LYS 790 Cb -0.08 -2.93 0.00 0.00 -1.46 0.00 0.00 37.83 33.36 2vca s LYS 790 CO 0.20 0.63 0.34 -0.25 0.16 0.00 0.00 175.35 176.43 2vca n ASP 791 N 0.80 -4.06 -4.78 1.43 8.00 -1.26 -5.02 116.55 111.65 2vca n ASP 791 Ca -0.10 -0.16 -0.36 0.00 0.71 0.00 0.00 54.79 54.88 2vca n ASP 791 Cb 0.52 -2.95 -0.02 0.00 -0.02 0.00 0.00 41.12 38.65 2vca n ASP 791 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2vca s SER 792 N -2.85 6.34 0.81 -2.24 0.01 -1.26 -5.07 113.70 109.44 2vca s SER 792 Ca 0.17 2.16 -0.10 0.00 1.31 0.00 0.00 55.95 59.49 2vca s SER 792 Cb -0.07 -2.59 0.12 0.00 0.21 0.00 0.00 66.02 63.68 2vca s SER 792 CO 0.21 -0.79 1.15 1.51 0.41 0.00 0.00 173.24 175.73 2vca s ASP 793 N -1.53 4.15 0.31 2.44 1.47 -1.26 -4.94 116.67 117.31 2vca s ASP 793 Ca 0.63 0.36 0.01 0.00 1.18 0.00 0.00 52.55 54.73 2vca s ASP 793 Cb -0.25 -0.75 0.52 0.00 -0.34 0.00 0.00 42.92 42.10 2vca s ASP 793 CO 0.30 -2.06 1.91 0.44 0.68 0.00 0.00 175.17 176.44 2vca h ASP 794 N -1.02 0.73 -0.16 2.11 3.32 -1.89 -2.63 116.42 116.87 2vca h ASP 794 Ca -0.44 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 56.58 2vca h ASP 794 Cb 1.29 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.60 2vca h ASP 794 CO 0.52 0.64 -0.14 -0.25 -1.72 0.00 0.00 179.24 178.29 2vca h TRP 795 N 0.81 -0.36 -0.67 4.55 2.91 -1.55 -0.65 115.95 120.98 2vca h TRP 795 Ca 0.20 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.18 2vca h TRP 795 Cb 0.12 0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 28.93 2vca h TRP 795 CO 0.01 -0.21 0.18 1.15 -1.03 0.00 0.00 178.44 178.54 2vca h THR 796 N -0.16 1.26 -0.17 2.65 2.02 -1.80 -1.14 112.91 115.57 2vca h THR 796 Ca 0.11 -0.92 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 2vca h THR 796 Cb 0.32 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2vca h THR 796 CO -0.26 0.35 0.08 0.11 0.37 0.00 0.00 175.52 176.17 2vca h LYS 797 N 1.00 0.25 -0.83 6.66 1.57 -1.17 -0.56 116.57 123.49 2vca h LYS 797 Ca 0.21 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2vca h LYS 797 Cb 0.34 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 2vca h LYS 797 CO -0.00 0.29 0.49 -0.44 -0.57 0.00 0.00 179.45 179.22 2vca h ASP 798 N 0.14 1.01 -0.47 0.86 5.19 -1.03 0.10 116.42 122.23 2vca h ASP 798 Ca 0.06 -0.07 -0.12 0.00 -0.62 0.00 0.00 57.03 56.27 2vca h ASP 798 Cb 0.13 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 2vca h ASP 798 CO -0.01 0.79 -0.17 0.25 -3.12 0.00 0.00 179.24 176.99 2vca h LEU 799 N 1.15 0.96 -0.72 1.55 5.85 -1.07 -1.35 115.31 121.68 2vca h LEU 799 Ca 0.30 -0.38 -0.11 0.00 0.84 0.00 0.00 57.88 58.52 2vca h LEU 799 Cb -0.02 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 2vca h LEU 799 CO -0.05 1.13 -0.24 -0.26 -0.34 0.00 0.00 178.44 178.68 2vca h PHE 800 N 0.79 0.83 -0.88 1.25 -1.00 -0.93 -1.98 116.94 115.02 2vca h PHE 800 Ca 0.11 -0.19 -0.01 0.00 2.81 0.00 0.00 57.97 60.69 2vca h PHE 800 Cb 0.74 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 40.06 2vca h PHE 800 CO 0.05 0.90 0.51 1.49 -1.61 0.00 0.00 178.31 179.65 2vca h GLU 801 N 0.64 1.21 -0.31 1.51 4.81 -0.85 -1.49 114.58 120.10 2vca h GLU 801 Ca 0.09 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 2vca h GLU 801 Cb 0.74 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 2vca h GLU 801 CO 0.06 0.86 0.07 0.35 -0.73 0.00 0.00 179.01 179.62 2vca h PHE 802 N 1.22 0.13 -0.70 0.92 3.57 -0.85 0.05 116.94 121.28 2vca h PHE 802 Ca 0.31 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.93 2vca h PHE 802 Cb -0.02 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.64 2vca h PHE 802 CO 0.01 0.04 0.34 -0.91 -2.23 0.00 0.00 178.31 175.55 2vca h ASN 803 N 0.19 0.43 -0.28 0.41 2.35 -1.04 0.35 115.58 117.99 2vca h ASN 803 Ca 0.14 0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.88 2vca h ASN 803 Cb 0.14 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2vca h ASN 803 CO -0.18 0.25 -0.12 0.00 -1.65 0.00 0.00 177.43 175.73 2vca h ALA 804 N 1.43 0.39 -0.18 -0.83 0.00 -0.81 -2.48 119.26 116.78 2vca h ALA 804 Ca 0.34 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2vca h ALA 804 Cb 0.37 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2vca h ALA 804 CO -0.27 0.26 -0.27 0.00 0.00 0.00 0.00 179.25 178.96 2vca h ARG 805 N 0.32 0.51 -0.50 0.00 3.08 -0.81 -3.30 114.38 113.67 2vca h ARG 805 Ca 0.06 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.77 2vca h ARG 805 Cb 0.63 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 2vca h ARG 805 CO 0.04 0.90 0.14 0.00 -1.07 0.00 0.00 179.97 179.98 2vca h ALA 806 N 0.60 0.66 -0.95 0.04 0.00 -0.98 -3.17 119.26 115.45 2vca h ALA 806 Ca 0.02 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.77 2vca h ALA 806 Cb 0.85 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2vca h ALA 806 CO 0.06 0.34 0.62 1.25 0.00 0.00 0.00 179.25 181.52 2vca h LEU 807 N 0.69 1.04 -0.60 0.00 5.85 -1.52 0.92 115.31 121.68 2vca h LEU 807 Ca 0.16 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2vca h LEU 807 Cb 0.30 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2vca h LEU 807 CO -0.00 0.71 -0.04 1.33 -0.34 0.00 0.00 178.44 180.10 2vca n VAL 808 N -4.48 0.00 0.00 1.05 0.24 -1.23 -4.31 118.33 109.60 2vca n VAL 808 Ca 0.13 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 2vca n VAL 808 Cb 0.09 0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 2vca n VAL 808 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2vca n THR 809 N -0.32 0.00 0.30 3.34 -2.24 -0.80 -4.01 114.28 110.55 2vca n THR 809 Ca 0.19 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.14 2vca n THR 809 Cb 0.29 0.00 0.77 0.00 -2.10 0.00 0.00 70.33 69.28 2vca n THR 809 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2vca h THR 810 N 0.00 0.00 0.00 4.28 1.35 -1.79 0.71 112.91 117.47 2vca h THR 810 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2vca h THR 810 Cb 0.00 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 2vca h THR 810 CO 0.00 0.00 0.00 1.87 -0.25 0.00 0.00 175.52 177.14 2vca n TRP 811 N -2.89 0.00 -2.34 4.73 -0.00 0.31 -3.93 117.44 113.32 2vca n TRP 811 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2vca n TRP 811 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.53 2vca n TRP 811 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2vca n GLY 812 N 0.00 5.62 0.00 5.87 0.00 -1.26 -4.27 105.19 111.14 2vca n GLY 812 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 2vca n GLY 812 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vca n SER 813 N 0.00 0.00 -0.16 1.61 3.41 -1.26 -4.59 113.62 112.62 2vca n SER 813 Ca 0.00 -0.51 -0.02 0.00 -0.26 0.00 0.00 58.87 58.08 2vca n SER 813 Cb 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 2vca n SER 813 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2vca h ARG 814 N 0.00 0.06 0.00 4.33 2.43 -1.97 0.33 114.38 119.57 2vca h ARG 814 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2vca h ARG 814 Cb 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2vca h ARG 814 CO 0.00 0.04 0.00 -0.91 -1.51 0.00 0.00 179.97 177.59 2vca h ASN 815 N 0.07 0.00 0.08 -3.80 2.35 -1.94 0.97 115.58 113.29 2vca h ASN 815 Ca 0.25 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.69 2vca h ASN 815 Cb 0.39 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 2vca h ASN 815 CO -0.47 0.00 -1.73 0.59 -1.65 0.00 0.00 177.43 174.18 2vca n ASN 816 N -2.63 2.02 -0.00 5.81 5.03 -0.41 -0.25 115.26 124.83 2vca n ASN 816 Ca 0.02 0.29 -0.12 0.00 0.87 0.00 0.00 54.58 55.64 2vca n ASN 816 Cb 0.28 -0.90 -0.08 0.00 -1.02 0.00 0.00 39.78 38.06 2vca n ASN 816 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2vca h ALA 817 N -0.16 0.05 -2.48 5.41 0.00 -0.81 -1.51 119.26 119.76 2vca h ALA 817 Ca -0.40 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2vca h ALA 817 Cb 1.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2vca h ALA 817 CO -0.04 -0.32 0.00 -0.25 0.00 0.00 0.00 179.25 178.65 2vca n ASP 818 N -4.93 0.00 -0.28 0.00 8.00 0.32 -1.46 116.55 118.20 2vca n ASP 818 Ca -0.07 0.03 0.10 0.00 0.71 0.00 0.00 54.79 55.56 2vca n ASP 818 Cb 0.15 -0.09 0.34 0.00 -0.02 0.00 0.00 41.12 41.51 2vca n ASP 818 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2vca h GLY 819 N 0.00 1.27 2.00 0.44 0.00 -1.67 -1.93 103.07 103.17 2vca h GLY 819 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2vca h GLY 819 CO 0.00 0.13 0.00 -1.33 0.00 0.00 0.00 176.54 175.34 2vca h GLY 820 N 0.78 0.00 0.00 4.60 0.00 -0.59 -3.46 103.07 104.40 2vca h GLY 820 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 2vca h GLY 820 CO -0.20 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.95 2vca n GLY 821 N 1.14 0.55 0.68 4.60 0.00 -0.73 -4.54 105.19 106.89 2vca n GLY 821 Ca 0.05 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.03 2vca n GLY 821 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2vca n LEU 822 N 0.00 2.13 -4.67 0.99 4.77 -0.60 -4.25 117.00 115.36 2vca n LEU 822 Ca 0.00 -0.71 -0.47 0.00 -0.03 0.00 0.00 56.01 54.80 2vca n LEU 822 Cb 0.00 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2vca n LEU 822 CO 0.00 0.36 1.29 2.29 -1.33 0.00 0.00 177.39 180.00 2vca n LYS 823 N 0.64 2.09 -2.01 3.23 -0.00 -0.54 -1.66 118.16 119.91 2vca n LYS 823 Ca 0.16 0.76 -0.18 0.00 -0.00 0.00 0.00 58.31 59.06 2vca n LYS 823 Cb 0.46 -2.55 -0.04 0.00 -0.00 0.00 0.00 35.03 32.90 2vca n LYS 823 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2vca n ASP 824 N 4.59 -4.94 -0.34 -5.58 8.00 0.24 -4.53 116.55 113.99 2vca n ASP 824 Ca 0.19 0.23 -0.04 0.00 0.71 0.00 0.00 54.79 55.89 2vca n ASP 824 Cb 0.28 -4.27 0.09 0.00 -0.02 0.00 0.00 41.12 37.20 2vca n ASP 824 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2vca h TYR 825 N 0.00 1.22 -0.93 1.24 3.20 -1.49 -2.67 116.97 117.54 2vca h TYR 825 Ca -0.39 -0.01 -0.63 0.00 3.14 0.00 0.00 58.73 60.83 2vca h TYR 825 Cb 1.24 -0.40 -0.31 0.00 1.54 0.00 0.00 36.73 38.80 2vca h TYR 825 CO 0.56 0.82 0.53 0.45 -1.64 0.00 0.00 178.16 178.88 2vca n SER 826 N -4.37 6.76 -4.75 -2.11 2.88 -1.26 -4.66 113.62 106.12 2vca n SER 826 Ca 0.10 -3.77 -0.41 0.00 -1.33 0.00 0.00 58.87 53.45 2vca n SER 826 Cb 0.07 -0.84 -0.02 0.00 -0.75 0.00 0.00 64.21 62.67 2vca n SER 826 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2vca s ASN 827 N -2.13 6.42 -0.05 -3.46 2.20 -1.01 -4.56 114.94 112.35 2vca s ASN 827 Ca 0.61 2.91 0.06 0.00 -0.94 0.00 0.00 52.86 55.51 2vca s ASN 827 Cb 0.49 -2.64 -0.01 0.00 -2.00 0.00 0.00 41.25 37.09 2vca s ASN 827 CO 0.01 -0.87 -0.23 -0.13 -2.94 0.00 0.00 177.10 172.93 2vca s ARG 828 N -0.64 2.28 -1.38 3.55 1.81 -1.26 -4.19 118.95 119.11 2vca s ARG 828 Ca 0.62 -0.83 -0.14 0.00 -1.72 0.00 0.00 55.73 53.66 2vca s ARG 828 Cb -0.47 -1.98 0.08 0.00 -0.45 0.00 0.00 34.95 32.13 2vca s ARG 828 CO 0.49 0.37 2.03 1.04 -0.68 0.00 0.00 175.30 178.55 2vca n GLN 829 N 2.92 3.09 -4.48 3.54 6.02 -1.26 -4.81 117.38 122.39 2vca n GLN 829 Ca -0.17 -2.97 -0.30 0.00 -0.01 0.00 0.00 57.00 53.55 2vca n GLN 829 Cb 0.52 -3.25 -0.12 0.00 1.02 0.00 0.00 30.24 28.41 2vca n GLN 829 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2vca s TRP 830 N 2.79 2.58 0.51 1.08 0.51 -1.26 -4.93 118.94 120.21 2vca s TRP 830 Ca 0.47 -0.24 -0.23 0.00 -2.12 0.00 0.00 56.10 53.98 2vca s TRP 830 Cb 0.10 -1.42 -0.06 0.00 -0.81 0.00 0.00 33.47 31.28 2vca s TRP 830 CO -0.04 0.32 1.30 0.45 -0.51 0.00 0.00 176.95 178.48 2vca s SER 831 N -1.76 5.64 0.00 2.95 0.15 0.97 -1.36 113.70 120.30 2vca s SER 831 Ca 0.16 2.63 0.00 0.00 0.70 0.00 0.00 55.95 59.44 2vca s SER 831 Cb -0.11 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 2vca s SER 831 CO 0.08 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 173.82 2vca n GLY 832 N 0.63 1.86 0.32 9.45 0.00 -1.26 -2.45 105.19 113.74 2vca n GLY 832 Ca 0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 2vca n GLY 832 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2vca h LEU 833 N 0.00 0.96 -0.88 0.99 5.85 -1.93 -2.03 115.31 118.27 2vca h LEU 833 Ca 0.00 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2vca h LEU 833 Cb 0.00 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 2vca h LEU 833 CO 0.00 0.69 0.43 0.74 -0.34 0.00 0.00 178.44 179.96 2vca h THR 834 N 1.13 1.26 0.16 1.05 2.02 -1.45 -1.41 112.91 115.68 2vca h THR 834 Ca 0.31 -0.71 -0.31 0.00 0.77 0.00 0.00 66.41 66.46 2vca h THR 834 Cb -0.12 0.14 0.01 0.00 -1.74 0.00 0.00 68.15 66.44 2vca h THR 834 CO -0.07 0.31 -1.48 -0.33 0.37 0.00 0.00 175.52 174.32 2vca h GLU 835 N 1.22 0.34 0.00 6.66 4.39 -1.80 0.24 114.58 125.64 2vca h GLU 835 Ca 0.30 -0.59 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2vca h GLU 835 Cb 0.10 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2vca h GLU 835 CO -0.04 1.25 -1.22 -0.25 -1.16 0.00 0.00 179.01 177.59 2vca n ASP 836 N -3.55 0.64 0.04 1.42 8.00 -0.77 -3.81 116.55 118.51 2vca n ASP 836 Ca -0.16 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.82 2vca n ASP 836 Cb 1.06 1.15 0.00 0.00 -0.02 0.00 0.00 41.12 43.31 2vca n ASP 836 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vca n TYR 837 N -1.80 -0.35 0.18 1.24 9.36 -0.56 -4.60 117.16 120.64 2vca n TYR 837 Ca 0.02 0.06 -0.14 0.00 3.32 0.00 0.00 57.90 61.16 2vca n TYR 837 Cb 0.41 0.14 -0.08 0.00 -0.63 0.00 0.00 39.34 39.18 2vca n TYR 837 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2vca h TYR 838 N 0.00 -0.41 -0.48 2.98 0.05 -1.42 -2.34 116.97 115.35 2vca h TYR 838 Ca 0.00 -0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.82 2vca h TYR 838 Cb 0.00 0.14 -0.05 0.00 1.01 0.00 0.00 36.73 37.83 2vca h TYR 838 CO 0.00 -0.15 0.21 -0.92 -1.05 0.00 0.00 178.16 176.26 2vca h TYR 839 N -0.62 0.39 -0.98 4.88 3.20 -0.70 -2.57 116.97 120.55 2vca h TYR 839 Ca -0.05 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.94 2vca h TYR 839 Cb 0.45 -0.10 -0.08 0.00 1.54 0.00 0.00 36.73 38.54 2vca h TYR 839 CO -0.01 0.17 0.62 0.00 -1.64 0.00 0.00 178.16 177.31 2vca h ALA 840 N 1.28 1.42 -0.04 1.82 0.00 -1.64 0.93 119.26 123.02 2vca h ALA 840 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2vca h ALA 840 Cb 0.16 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2vca h ALA 840 CO -0.18 0.31 0.01 0.00 0.00 0.00 0.00 179.25 179.39 2vca h ARG 841 N 1.06 0.07 -0.60 0.00 3.08 -1.09 -2.27 114.38 114.63 2vca h ARG 841 Ca 0.46 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.48 2vca h ARG 841 Cb 0.32 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 2vca h ARG 841 CO -0.22 0.31 0.36 -1.49 -1.07 0.00 0.00 179.97 177.85 2vca h TRP 842 N -0.17 0.80 -0.44 3.04 4.06 -1.09 -2.27 115.95 119.88 2vca h TRP 842 Ca 0.01 -0.01 0.05 0.00 2.06 0.00 0.00 58.89 61.01 2vca h TRP 842 Cb 0.27 -0.26 -0.04 0.00 -1.00 0.00 0.00 29.16 28.12 2vca h TRP 842 CO 0.01 0.56 0.18 1.49 -3.56 0.00 0.00 178.44 177.12 2vca h GLU 843 N 0.82 0.36 -0.22 0.49 4.81 -0.83 -1.88 114.58 118.13 2vca h GLU 843 Ca 0.22 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2vca h GLU 843 Cb -0.00 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2vca h GLU 843 CO -0.04 0.24 0.09 -0.22 -0.73 0.00 0.00 179.01 178.35 2vca h LYS 844 N 0.37 0.34 -0.08 1.92 3.64 -1.23 -2.12 116.57 119.41 2vca h LYS 844 Ca 0.20 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 2vca h LYS 844 Cb 0.16 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2vca h LYS 844 CO -0.18 0.39 -0.12 2.35 -2.27 0.00 0.00 179.45 179.62 2vca h TRP 845 N 0.21 0.12 0.13 1.91 7.01 -1.27 -2.59 115.95 121.47 2vca h TRP 845 Ca 0.07 -0.01 -0.21 0.00 2.11 0.00 0.00 58.89 60.85 2vca h TRP 845 Cb 0.19 -0.04 0.01 0.00 -2.10 0.00 0.00 29.16 27.22 2vca h TRP 845 CO -0.01 0.24 -0.99 0.82 -2.79 0.00 0.00 178.44 175.71 2vca h ILE 846 N 0.11 1.37 -0.98 2.65 2.04 -1.08 -1.80 117.51 119.82 2vca h ILE 846 Ca 0.02 -2.50 0.17 0.00 1.00 0.00 0.00 64.86 63.56 2vca h ILE 846 Cb 0.29 3.05 -0.09 0.00 -0.74 0.00 0.00 36.82 39.33 2vca h ILE 846 CO 0.02 0.71 0.61 0.78 0.00 0.00 0.00 178.15 180.27 2vca h ASN 847 N -0.36 0.77 -0.29 1.72 -0.26 -1.41 0.85 115.58 116.61 2vca h ASN 847 Ca -0.19 0.07 -0.08 0.00 -0.56 0.00 0.00 56.30 55.54 2vca h ASN 847 Cb 1.68 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 38.85 2vca h ASN 847 CO 0.12 0.33 -0.11 1.23 -1.06 0.00 0.00 177.43 177.93 2vca h GLY 848 N 0.78 0.64 1.07 2.83 0.00 -1.34 0.16 103.07 107.22 2vca h GLY 848 Ca 0.53 -0.56 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 2vca h GLY 848 CO -0.31 0.51 0.12 1.41 0.00 0.00 0.00 176.54 178.27 2vca h LEU 849 N 0.34 1.07 -0.43 3.11 4.07 -1.04 -2.97 115.31 119.46 2vca h LEU 849 Ca 0.07 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.76 2vca h LEU 849 Cb 0.62 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 2vca h LEU 849 CO 0.04 1.06 0.24 -0.61 -1.08 0.00 0.00 178.44 178.09 2vca h GLN 850 N 1.04 0.60 -0.74 1.13 5.75 -0.62 -0.80 115.11 121.48 2vca h GLN 850 Ca 0.21 -0.07 0.08 0.00 -0.15 0.00 0.00 58.65 58.72 2vca h GLN 850 Cb 0.44 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.82 2vca h GLN 850 CO 0.01 0.48 0.49 0.00 -2.65 0.00 0.00 178.83 177.15 2vca h ALA 851 N 1.09 1.76 0.01 3.38 0.00 -0.63 -0.30 119.26 124.57 2vca h ALA 851 Ca 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2vca h ALA 851 Cb 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2vca h ALA 851 CO -0.03 0.11 -0.00 1.49 0.00 0.00 0.00 179.25 180.82 2vca h GLU 852 N 0.71 -0.01 -0.30 0.00 4.81 -1.31 -1.38 114.58 117.10 2vca h GLU 852 Ca 0.33 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.65 2vca h GLU 852 Cb 0.36 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2vca h GLU 852 CO -0.12 0.60 0.25 -0.07 -0.73 0.00 0.00 179.01 178.95 2vca h LEU 853 N -0.64 0.00 -1.66 1.64 4.07 -0.77 -2.63 115.31 115.33 2vca h LEU 853 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2vca h LEU 853 Cb 0.62 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.36 2vca h LEU 853 CO 0.00 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 177.83 2vca n ASP 854 N -4.13 2.41 -0.71 -0.43 9.92 -0.16 -4.77 116.55 118.68 2vca n ASP 854 Ca 0.04 -2.21 0.00 0.00 -0.53 0.00 0.00 54.79 52.10 2vca n ASP 854 Cb 0.41 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 2vca n ASP 854 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2vca n GLY 855 N 0.64 0.49 3.74 0.44 0.00 -1.07 -5.05 105.19 104.39 2vca n GLY 855 Ca 0.11 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 2vca n GLY 855 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vca s GLY 856 N -2.50 1.65 0.00 -0.02 0.00 -0.52 -4.97 107.32 100.96 2vca s GLY 856 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.10 2vca s GLY 856 CO 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 173.10 171.47 2vca n ALA 857 N -1.09 0.00 -1.53 3.20 0.00 -1.26 -4.68 120.51 115.14 2vca n ALA 857 Ca -0.06 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.94 2vca n ALA 857 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.03 2vca n ALA 857 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2vca n LYS 858 N 0.00 0.98 -2.18 0.00 4.81 -1.26 -3.52 118.16 116.99 2vca n LYS 858 Ca 0.00 0.34 -0.42 0.00 -0.87 0.00 0.00 58.31 57.36 2vca n LYS 858 Cb 0.00 -1.63 -0.03 0.00 0.02 0.00 0.00 35.03 33.39 2vca n LYS 858 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2vca s ALA 859 N -1.10 3.58 0.36 3.14 0.00 -1.26 -4.96 121.76 121.53 2vca s ALA 859 Ca 0.60 1.10 -0.27 0.00 0.00 0.00 0.00 51.96 53.39 2vca s ALA 859 Cb -0.73 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 18.75 2vca s ALA 859 CO 0.59 -0.62 1.29 -2.14 0.00 0.00 0.00 175.76 174.87 2vca s PRO 860 N 1.18 4.19 -0.23 0.00 0.02 -1.26 -4.98 135.00 133.91 2vca s PRO 860 Ca 0.64 2.15 -0.42 0.00 0.02 0.00 0.00 61.00 63.40 2vca s PRO 860 Cb -0.36 -2.92 -0.18 0.00 0.02 0.00 0.00 34.50 31.06 2vca s PRO 860 CO 0.30 -0.31 1.50 0.09 -0.33 0.00 0.00 177.00 178.25 2vca n ASN 861 N 0.49 1.43 -4.70 2.53 4.13 -1.26 -4.99 115.26 112.88 2vca n ASN 861 Ca 0.02 1.13 -0.37 0.00 1.68 0.00 0.00 54.58 57.05 2vca n ASN 861 Cb 0.43 -1.03 -0.08 0.00 -1.54 0.00 0.00 39.78 37.57 2vca n ASN 861 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2vca s ILE 862 N 2.16 5.31 -1.04 2.41 1.01 -1.26 -5.02 121.20 124.77 2vca s ILE 862 Ca 0.97 0.45 -0.23 0.00 0.00 0.00 0.00 60.65 61.84 2vca s ILE 862 Cb -1.22 -3.60 0.04 0.00 0.01 0.00 0.00 42.46 37.69 2vca s ILE 862 CO 0.66 0.36 1.52 -0.62 0.00 0.00 0.00 174.94 176.86 2vca s ASP 863 N 0.70 6.42 0.15 3.58 2.15 -1.26 -4.86 116.67 123.56 2vca s ASP 863 Ca 0.14 -1.50 -0.16 0.00 0.43 0.00 0.00 52.55 51.46 2vca s ASP 863 Cb -0.13 -2.57 0.03 0.00 -0.30 0.00 0.00 42.92 39.94 2vca s ASP 863 CO 0.04 -1.58 1.80 -0.50 -0.17 0.00 0.00 175.17 174.76 2vca h TRP 864 N 9.68 0.44 -0.94 -5.34 4.06 -2.01 -2.62 115.95 119.22 2vca h TRP 864 Ca 0.22 0.01 0.13 0.00 2.06 0.00 0.00 58.89 61.31 2vca h TRP 864 Cb 0.99 -0.14 -0.09 0.00 -1.00 0.00 0.00 29.16 28.92 2vca h TRP 864 CO 1.29 0.26 0.57 0.35 -3.56 0.00 0.00 178.44 177.35 2vca h PHE 865 N 0.48 1.02 -0.33 0.49 3.57 -1.99 -1.16 116.94 119.02 2vca h PHE 865 Ca 0.15 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.70 2vca h PHE 865 Cb -0.01 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 2vca h PHE 865 CO -0.07 0.37 0.19 -0.22 -2.23 0.00 0.00 178.31 176.35 2vca h LYS 866 N 0.87 0.38 -0.52 1.11 1.63 -1.88 -0.03 116.57 118.13 2vca h LYS 866 Ca 0.48 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.22 2vca h LYS 866 Cb 0.53 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 2vca h LYS 866 CO -0.29 0.25 0.19 1.98 -3.45 0.00 0.00 179.45 178.13 2vca h MET 867 N 0.40 0.79 -0.37 1.90 4.05 -1.36 -2.64 114.93 117.70 2vca h MET 867 Ca 0.13 -0.16 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 2vca h MET 867 Cb -0.00 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.66 2vca h MET 867 CO -0.06 0.71 0.18 0.93 0.23 0.00 0.00 176.91 178.90 2vca h GLU 868 N 0.71 0.53 -0.06 0.39 5.08 -0.88 -3.05 114.58 117.29 2vca h GLU 868 Ca 0.17 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 2vca h GLU 868 Cb 0.23 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2vca h GLU 868 CO -0.01 0.47 -0.50 -0.92 -1.00 0.00 0.00 179.01 177.05 2vca h TYR 869 N 0.46 0.18 -0.75 4.33 3.20 -0.99 -1.91 116.97 121.48 2vca h TYR 869 Ca 0.13 -0.06 0.16 0.00 3.14 0.00 0.00 58.73 62.10 2vca h TYR 869 Cb 0.11 -0.04 -0.11 0.00 1.54 0.00 0.00 36.73 38.24 2vca h TYR 869 CO -0.02 0.61 0.24 0.22 -1.64 0.00 0.00 178.16 177.58 2vca h ASP 870 N 0.12 0.13 -0.26 -2.11 3.58 -1.36 -1.49 116.42 115.03 2vca h ASP 870 Ca 0.00 0.13 -0.13 0.00 0.42 0.00 0.00 57.03 57.46 2vca h ASP 870 Cb 0.92 0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.12 2vca h ASP 870 CO 0.07 0.02 -0.35 -0.25 -2.88 0.00 0.00 179.24 175.85 2vca h TRP 871 N 0.34 0.85 -0.85 0.28 7.01 -1.40 -3.17 115.95 119.02 2vca h TRP 871 Ca 0.43 -0.28 0.22 0.00 2.11 0.00 0.00 58.89 61.36 2vca h TRP 871 Cb 0.71 -0.17 -0.14 0.00 -2.10 0.00 0.00 29.16 27.46 2vca h TRP 871 CO -0.22 1.04 0.17 0.28 -2.79 0.00 0.00 178.44 176.92 2vca h VAL 872 N 0.42 0.33 -0.01 2.65 2.07 -0.55 -2.76 116.25 118.39 2vca h VAL 872 Ca 0.03 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2vca h VAL 872 Cb 0.93 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2vca h VAL 872 CO 0.08 0.03 -0.19 0.59 0.02 0.00 0.00 177.57 178.11 2vca n ASN 873 N -5.25 1.37 -4.77 0.57 4.13 -0.68 -4.68 115.26 105.95 2vca n ASN 873 Ca 0.19 -1.19 -0.36 0.00 1.68 0.00 0.00 54.58 54.90 2vca n ASN 873 Cb 0.62 0.12 -0.00 0.00 -1.54 0.00 0.00 39.78 38.98 2vca n ASN 873 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2vca s LYS 874 N -2.32 3.46 -0.03 3.52 1.02 -1.05 -5.03 119.74 119.31 2vca s LYS 874 Ca 0.28 1.66 0.05 0.00 0.02 0.00 0.00 55.97 57.98 2vca s LYS 874 Cb 0.20 -2.11 -0.03 0.00 -0.52 0.00 0.00 37.83 35.37 2vca s LYS 874 CO 0.46 -0.77 -0.18 0.15 -0.92 0.00 0.00 175.35 174.09 2vca s LYS 875 N -3.13 2.35 0.52 1.68 -0.14 -1.26 -4.89 119.74 114.87 2vca s LYS 875 Ca 0.70 -0.79 0.27 0.00 -1.36 0.00 0.00 55.97 54.80 2vca s LYS 875 Cb -0.25 -2.27 1.41 0.00 -1.68 0.00 0.00 37.83 35.04 2vca s LYS 875 CO 0.29 0.60 2.05 0.77 -0.76 0.00 0.00 175.35 178.30 2vca h SER 876 N 5.27 0.00 0.43 2.83 0.02 -1.97 0.40 113.55 120.53 2vca h SER 876 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2vca h SER 876 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2vca h SER 876 CO 0.49 0.13 -0.63 -0.90 -1.14 0.00 0.00 176.83 174.77 2vca n ASP 877 N -3.62 0.60 0.00 3.07 5.75 -1.26 -3.51 116.55 117.58 2vca n ASP 877 Ca -0.02 -0.35 0.00 0.00 -0.01 0.00 0.00 54.79 54.41 2vca n ASP 877 Cb 0.25 0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 2vca n ASP 877 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2vca n THR 878 N -1.57 0.00 0.00 2.12 -2.24 -1.07 -4.98 114.28 106.54 2vca n THR 878 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2vca n THR 878 Cb 0.35 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 2vca n THR 878 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2vca n ASP 879 N -1.78 0.00 -3.66 3.42 8.00 0.11 -5.02 116.55 117.62 2vca n ASP 879 Ca 0.00 0.03 -0.07 0.00 0.71 0.00 0.00 54.79 55.47 2vca n ASP 879 Cb 0.42 -0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 41.17 2vca n ASP 879 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2vca s LYS 880 N -0.54 0.48 -0.21 -1.24 2.20 -1.24 -5.06 119.74 114.13 2vca s LYS 880 Ca 0.00 1.11 -0.22 0.00 -0.36 0.00 0.00 55.97 56.50 2vca s LYS 880 Cb 0.00 0.33 -0.02 0.00 -1.51 0.00 0.00 37.83 36.63 2vca s LYS 880 CO 0.00 -0.19 0.69 -1.17 -0.36 0.00 0.00 175.35 174.31 2vca s LEU 881 N 2.17 4.12 0.26 5.43 2.96 -1.23 -4.47 118.68 127.92 2vca s LEU 881 Ca -0.06 0.88 -0.29 0.00 -0.22 0.00 0.00 54.13 54.44 2vca s LEU 881 Cb -0.10 -2.98 -0.09 0.00 0.50 0.00 0.00 46.19 43.53 2vca s LEU 881 CO -0.16 -0.35 0.93 -0.31 -1.32 0.00 0.00 176.35 175.14 2vca s TYR 882 N 2.24 3.90 0.60 5.38 2.02 -1.26 -5.03 117.35 125.20 2vca s TYR 882 Ca 0.30 1.86 -0.18 0.00 -0.37 0.00 0.00 57.07 58.69 2vca s TYR 882 Cb -0.16 -2.95 -0.03 0.00 -0.40 0.00 0.00 41.96 38.42 2vca s TYR 882 CO 0.10 0.39 1.17 -1.25 -1.57 0.00 0.00 175.55 174.38 2vca s PRO 883 N -1.44 2.97 -0.10 -1.71 0.04 -1.26 -4.61 135.00 128.89 2vca s PRO 883 Ca 0.43 1.68 0.14 0.00 0.04 0.00 0.00 61.00 63.29 2vca s PRO 883 Cb -0.24 -1.95 0.43 0.00 0.04 0.00 0.00 34.50 32.78 2vca s PRO 883 CO 0.29 -1.17 1.34 0.25 0.04 0.00 0.00 177.00 177.75 2vca n THR 884 N -1.77 1.71 -4.44 1.26 -2.24 -1.26 -3.78 114.28 103.76 2vca n THR 884 Ca 0.12 -1.49 -0.28 0.00 -2.27 0.00 0.00 64.05 60.14 2vca n THR 884 Cb 0.50 0.08 -0.17 0.00 -2.10 0.00 0.00 70.33 68.65 2vca n THR 884 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2vca s GLU 885 N -2.01 2.13 0.78 -0.78 2.56 -1.26 -4.94 118.70 115.18 2vca s GLU 885 Ca 0.33 -0.53 -0.11 0.00 0.00 0.00 0.00 54.97 54.66 2vca s GLU 885 Cb 0.24 -1.82 0.06 0.00 2.00 0.00 0.00 34.13 34.61 2vca s GLU 885 CO 0.12 -0.06 1.08 0.00 -0.56 0.00 0.00 175.26 175.84 2vca s ALA 886 N 0.99 2.23 0.66 6.30 0.00 -1.26 -5.03 121.76 125.65 2vca s ALA 886 Ca -0.07 0.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.88 2vca s ALA 886 Cb -0.15 -3.19 0.05 0.00 0.00 0.00 0.00 23.12 19.83 2vca s ALA 886 CO -0.01 -1.73 0.95 -1.54 0.00 0.00 0.00 175.76 173.43 2vca s SER 887 N -3.63 4.94 -0.05 0.00 1.04 0.15 -4.99 113.70 111.17 2vca s SER 887 Ca 0.61 0.34 0.19 0.00 0.48 0.00 0.00 55.95 57.56 2vca s SER 887 Cb -0.16 -1.05 0.62 0.00 0.10 0.00 0.00 66.02 65.53 2vca s SER 887 CO 0.55 -1.47 1.51 0.59 0.98 0.00 0.00 173.24 175.41 2vca n ASN 888 N -2.77 3.91 -4.70 7.02 5.03 -1.26 -4.65 115.26 117.84 2vca n ASN 888 Ca 0.08 -2.18 -0.41 0.00 0.87 0.00 0.00 54.58 52.94 2vca n ASN 888 Cb 0.60 -0.49 0.01 0.00 -1.02 0.00 0.00 39.78 38.88 2vca n ASN 888 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2vca n GLU 889 N 1.24 1.90 -2.92 3.52 -0.58 -1.26 -4.92 120.64 117.63 2vca n GLU 889 Ca 0.23 0.68 -0.43 0.00 -0.42 0.00 0.00 57.16 57.22 2vca n GLU 889 Cb 0.68 -2.39 -0.05 0.00 -0.57 0.00 0.00 31.44 29.11 2vca n GLU 889 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2vca s ASN 890 N -0.56 6.39 0.35 1.62 3.84 -1.26 -4.94 114.94 120.38 2vca s ASN 890 Ca 0.62 -0.19 0.02 0.00 0.21 0.00 0.00 52.86 53.52 2vca s ASN 890 Cb -0.50 -2.40 0.65 0.00 -0.55 0.00 0.00 41.25 38.44 2vca s ASN 890 CO 0.57 -1.03 2.01 -0.07 -2.79 0.00 0.00 177.10 175.80 2vca h LEU 891 N 10.42 0.71 -0.55 3.21 3.38 -1.98 0.66 115.31 131.16 2vca h LEU 891 Ca -0.25 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.71 2vca h LEU 891 Cb 1.08 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 2vca h LEU 891 CO 1.01 0.52 0.35 1.23 0.09 0.00 0.00 178.44 181.64 2vca h GLY 892 N 0.84 0.77 1.26 0.83 0.00 -1.92 0.12 103.07 104.98 2vca h GLY 892 Ca 0.23 -0.28 -0.15 0.00 0.00 0.00 0.00 47.33 47.13 2vca h GLY 892 CO -0.05 0.26 -0.37 0.83 0.00 0.00 0.00 176.54 177.21 2vca h GLU 893 N 0.72 0.82 -0.83 4.80 4.39 -1.75 -2.43 114.58 120.30 2vca h GLU 893 Ca 0.21 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.45 2vca h GLU 893 Cb -0.06 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 2vca h GLU 893 CO -0.06 1.05 0.37 -0.07 -1.16 0.00 0.00 179.01 179.14 2vca h LEU 894 N 0.68 1.11 -0.71 1.33 4.07 -0.70 -2.58 115.31 118.50 2vca h LEU 894 Ca 0.06 -0.15 -0.02 0.00 0.08 0.00 0.00 57.88 57.85 2vca h LEU 894 Cb 0.93 -0.29 -0.03 0.00 1.08 0.00 0.00 40.66 42.35 2vca h LEU 894 CO 0.09 0.95 0.39 0.00 -1.08 0.00 0.00 178.44 178.78 2vca h ALA 895 N 1.20 0.92 -0.22 1.53 0.00 -0.64 -1.62 119.26 120.43 2vca h ALA 895 Ca 0.28 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2vca h ALA 895 Cb 0.16 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2vca h ALA 895 CO -0.03 0.43 -0.05 0.87 0.00 0.00 0.00 179.25 180.47 2vca h LYS 896 N 0.98 0.01 -0.55 0.00 1.57 -1.27 -0.55 116.57 116.77 2vca h LYS 896 Ca 0.25 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.06 2vca h LYS 896 Cb 0.05 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 2vca h LYS 896 CO -0.04 0.00 0.31 0.82 -0.57 0.00 0.00 179.45 179.98 2vca h ILE 897 N 0.01 1.02 -0.30 1.86 2.04 -1.30 -1.87 117.51 118.97 2vca h ILE 897 Ca 0.11 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.76 2vca h ILE 897 Cb 0.16 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 2vca h ILE 897 CO -0.22 0.11 0.18 0.00 0.00 0.00 0.00 178.15 178.22 2vca h ALA 898 N 1.26 0.37 -0.50 1.87 0.00 -1.00 -0.31 119.26 120.95 2vca h ALA 898 Ca 0.23 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2vca h ALA 898 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2vca h ALA 898 CO -0.12 -0.18 0.11 0.52 0.00 0.00 0.00 179.25 179.58 2vca h MET 899 N 0.37 0.80 -0.21 0.00 2.86 -0.98 0.85 114.93 118.62 2vca h MET 899 Ca 0.11 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 2vca h MET 899 Cb -0.02 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 2vca h MET 899 CO -0.04 0.78 -0.08 1.49 1.06 0.00 0.00 176.91 180.12 2vca h GLU 900 N 0.69 0.43 0.00 1.72 4.81 -1.22 -3.39 114.58 117.61 2vca h GLU 900 Ca 0.15 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 2vca h GLU 900 Cb 0.35 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2vca h GLU 900 CO 0.00 0.69 -1.57 0.43 -0.73 0.00 0.00 179.01 177.84 2vca n SER 901 N -4.57 2.73 -1.82 1.04 7.64 -0.14 -4.81 113.62 113.68 2vca n SER 901 Ca -0.05 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.86 2vca n SER 901 Cb 0.31 0.99 0.04 0.00 -1.01 0.00 0.00 64.21 64.54 2vca n SER 901 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2vca n TYR 902 N -2.16 0.39 -4.51 1.43 4.01 0.23 -4.92 117.16 111.63 2vca n TYR 902 Ca -0.10 -1.02 -0.25 0.00 -0.16 0.00 0.00 57.90 56.37 2vca n TYR 902 Cb 0.60 -0.18 -0.10 0.00 -0.31 0.00 0.00 39.34 39.35 2vca n TYR 902 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2vca s SER 903 N -2.58 3.41 0.09 7.72 1.04 -0.80 -4.79 113.70 117.79 2vca s SER 903 Ca 0.33 -1.21 -0.11 0.00 0.48 0.00 0.00 55.95 55.43 2vca s SER 903 Cb 0.37 -0.29 -0.21 0.00 0.10 0.00 0.00 66.02 65.99 2vca s SER 903 CO -0.13 -0.27 1.20 0.58 0.98 0.00 0.00 173.24 175.60 2vca h VAL 904 N 2.09 1.32 -0.32 5.02 2.07 -1.91 -2.98 116.25 121.53 2vca h VAL 904 Ca -0.41 -2.37 0.06 0.00 0.82 0.00 0.00 66.70 64.80 2vca h VAL 904 Cb 1.24 2.48 -0.06 0.00 -1.52 0.00 0.00 31.29 33.43 2vca h VAL 904 CO 0.70 0.72 -0.09 0.74 0.02 0.00 0.00 177.57 179.67 2vca h THR 905 N 0.32 0.66 -0.59 2.57 2.02 -1.93 -2.82 112.91 113.14 2vca h THR 905 Ca -0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.05 2vca h THR 905 Cb 1.72 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 2vca h THR 905 CO 0.20 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.68 2vca n ASN 906 N -5.27 4.54 -0.00 4.18 3.02 -1.26 -4.67 115.26 115.80 2vca n ASN 906 Ca 0.00 -2.46 0.12 0.00 -0.03 0.00 0.00 54.58 52.21 2vca n ASN 906 Cb 0.19 -0.55 0.55 0.00 -0.61 0.00 0.00 39.78 39.36 2vca n ASN 906 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 2vca h MET 907 N 3.71 0.28 -0.18 3.52 4.05 -1.33 -0.45 114.93 124.53 2vca h MET 907 Ca 0.00 -0.02 -0.18 0.00 -0.28 0.00 0.00 59.70 59.23 2vca h MET 907 Cb 1.39 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 32.13 2vca h MET 907 CO 0.21 0.18 -0.61 -0.44 0.23 0.00 0.00 176.91 176.49 2vca h ASP 908 N 0.29 0.68 0.73 1.39 3.32 -1.83 0.36 116.42 121.35 2vca h ASP 908 Ca 0.21 -0.39 -0.17 0.00 0.02 0.00 0.00 57.03 56.70 2vca h ASP 908 Cb 0.46 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2vca h ASP 908 CO -0.04 1.12 -0.80 0.11 -1.72 0.00 0.00 179.24 177.91 2vca h LYS 909 N 0.45 0.05 -0.03 3.56 1.57 -1.71 -3.28 116.57 117.17 2vca h LYS 909 Ca -0.00 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 2vca h LYS 909 Cb 1.17 0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.51 2vca h LYS 909 CO 0.12 0.82 -0.58 0.82 -0.57 0.00 0.00 179.45 180.05 2vca h ILE 910 N 0.03 1.40 0.00 1.86 2.04 -1.02 -3.49 117.51 118.34 2vca h ILE 910 Ca -0.02 -2.00 0.00 0.00 1.00 0.00 0.00 64.86 63.85 2vca h ILE 910 Cb 1.40 2.46 0.00 0.00 -0.74 0.00 0.00 36.82 39.94 2vca h ILE 910 CO 0.11 0.59 0.00 0.18 0.00 0.00 0.00 178.15 179.03 2vca n LEU 911 N -4.22 0.00 0.00 1.44 4.32 0.12 -5.08 117.00 113.59 2vca n LEU 911 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 2vca n LEU 911 Cb 0.65 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.45 2vca n LEU 911 CO 0.47 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.25