#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2va1 s LYS 3 N 0.00 3.59 0.33 -0.14 1.02 -1.26 -5.00 119.74 118.28 2va1 s LYS 3 Ca 0.00 1.24 -0.17 0.00 0.02 0.00 0.00 55.97 57.06 2va1 s LYS 3 Cb 0.00 -4.06 -0.09 0.00 -0.52 0.00 0.00 37.83 33.16 2va1 s LYS 3 CO 0.00 -1.54 0.78 -0.65 -0.92 0.00 0.00 175.35 173.02 2va1 s GLN 4 N 4.99 4.09 -0.16 1.68 -0.21 -1.26 -4.63 119.66 124.17 2va1 s GLN 4 Ca 0.68 0.79 -0.07 0.00 0.02 0.00 0.00 55.36 56.78 2va1 s GLN 4 Cb -0.18 -2.44 -0.04 0.00 1.00 0.00 0.00 33.01 31.34 2va1 s GLN 4 CO 0.31 0.15 0.09 1.03 -2.12 0.00 0.00 175.29 174.75 2va1 s ARG 5 N -2.88 3.74 0.08 2.91 0.52 -1.26 -2.36 118.95 119.70 2va1 s ARG 5 Ca 0.54 -0.27 0.05 0.00 -0.52 0.00 0.00 55.73 55.53 2va1 s ARG 5 Cb -0.11 -3.19 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 2va1 s ARG 5 CO 0.17 0.47 -0.13 0.96 0.02 0.00 0.00 175.30 176.80 2va1 s ILE 6 N -0.17 1.03 -0.15 1.52 -4.36 -0.58 -3.59 121.20 114.89 2va1 s ILE 6 Ca 0.09 -1.39 -0.02 0.00 -0.26 0.00 0.00 60.65 59.07 2va1 s ILE 6 Cb -0.12 -1.12 -0.02 0.00 1.25 0.00 0.00 42.46 42.45 2va1 s ILE 6 CO 0.01 -0.33 -0.09 -0.69 0.24 0.00 0.00 174.94 174.08 2va1 s VAL 7 N -1.61 3.35 -0.28 8.37 1.01 -0.95 -1.14 120.40 129.15 2va1 s VAL 7 Ca -0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 2va1 s VAL 7 Cb -0.08 -2.45 -0.00 0.00 0.00 0.00 0.00 36.38 33.85 2va1 s VAL 7 CO 0.02 0.50 0.08 -0.63 0.00 0.00 0.00 175.10 175.07 2va1 s ILE 8 N 0.53 4.13 -0.35 2.22 1.01 0.56 -0.22 121.20 129.08 2va1 s ILE 8 Ca -0.06 -0.50 -0.25 0.00 0.00 0.00 0.00 60.65 59.83 2va1 s ILE 8 Cb -0.15 -3.06 0.01 0.00 0.01 0.00 0.00 42.46 39.27 2va1 s ILE 8 CO 0.03 0.16 0.90 -0.75 0.00 0.00 0.00 174.94 175.28 2va1 s LYS 9 N 1.55 3.88 -0.33 2.79 2.36 -0.63 -1.43 119.74 127.93 2va1 s LYS 9 Ca 0.04 0.61 0.00 0.00 -2.55 0.00 0.00 55.97 54.07 2va1 s LYS 9 Cb -0.16 -3.78 0.08 0.00 -1.05 0.00 0.00 37.83 32.91 2va1 s LYS 9 CO 0.03 -0.88 0.04 0.42 1.55 0.00 0.00 175.35 176.51 2va1 s ILE 10 N 3.34 2.71 0.85 5.43 1.01 -0.03 -3.82 121.20 130.69 2va1 s ILE 10 Ca 0.37 -1.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.08 2va1 s ILE 10 Cb -0.13 -2.75 0.10 0.00 0.01 0.00 0.00 42.46 39.70 2va1 s ILE 10 CO 0.17 -0.35 1.10 -0.94 0.00 0.00 0.00 174.94 174.92 2va1 s SER 11 N 1.26 3.79 0.30 3.58 1.04 -1.26 -1.27 113.70 121.14 2va1 s SER 11 Ca 0.01 1.83 0.01 0.00 0.48 0.00 0.00 55.95 58.28 2va1 s SER 11 Cb -0.20 -2.45 0.53 0.00 0.10 0.00 0.00 66.02 64.00 2va1 s SER 11 CO -0.04 -2.49 1.91 1.23 0.98 0.00 0.00 173.24 174.82 2va1 h GLY 12 N -1.45 1.33 1.37 7.32 0.00 -1.92 -2.57 103.07 107.16 2va1 h GLY 12 Ca -0.45 -0.41 0.07 0.00 0.00 0.00 0.00 47.33 46.53 2va1 h GLY 12 CO 0.50 0.29 0.24 0.00 0.00 0.00 0.00 176.54 177.58 2va1 h ALA 13 N 1.51 1.95 0.00 3.60 0.00 -1.91 -1.08 119.26 123.32 2va1 h ALA 13 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2va1 h ALA 13 Cb 0.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2va1 h ALA 13 CO -0.15 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 178.73 2va1 n LEU 15 N -2.81 1.29 -4.37 0.00 4.77 -0.41 -4.64 117.00 110.83 2va1 n LEU 15 Ca 0.00 -0.65 -0.32 0.00 -0.03 0.00 0.00 56.01 55.01 2va1 n LEU 15 Cb 0.23 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.17 2va1 n LEU 15 CO 0.23 0.27 -0.49 -0.75 -1.33 0.00 0.00 177.39 175.31 2va1 s LYS 16 N -2.23 2.73 -0.27 3.23 2.20 -1.15 0.29 119.74 124.54 2va1 s LYS 16 Ca 0.11 -0.77 -0.15 0.00 -0.36 0.00 0.00 55.97 54.79 2va1 s LYS 16 Cb 0.13 -2.36 -0.13 0.00 -1.51 0.00 0.00 37.83 33.96 2va1 s LYS 16 CO 0.54 0.43 -0.26 1.04 -0.36 0.00 0.00 175.35 176.73 2va1 n GLN 17 N 2.85 0.59 -4.02 4.03 1.13 -1.26 -4.93 117.38 115.77 2va1 n GLN 17 Ca -0.17 0.31 -0.10 0.00 -1.94 0.00 0.00 57.00 55.10 2va1 n GLN 17 Cb 0.52 -1.53 -0.08 0.00 0.11 0.00 0.00 30.24 29.26 2va1 n GLN 17 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2va1 s ASN 18 N -7.39 0.09 0.15 1.08 2.47 -1.26 -5.06 114.94 105.02 2va1 s ASN 18 Ca -0.37 -0.98 0.19 0.00 0.42 0.00 0.00 52.86 52.12 2va1 s ASN 18 Cb 0.13 0.41 0.81 0.00 -1.45 0.00 0.00 41.25 41.16 2va1 s ASN 18 CO 0.51 -0.87 1.59 0.47 -3.72 0.00 0.00 177.10 175.07 2va1 n ASP 19 N -0.21 0.37 0.17 -4.21 9.92 -1.26 -2.94 116.55 118.39 2va1 n ASP 19 Ca -0.06 0.60 0.03 0.00 -0.53 0.00 0.00 54.79 54.82 2va1 n ASP 19 Cb 0.63 -0.67 0.39 0.00 -0.64 0.00 0.00 41.12 40.83 2va1 n ASP 19 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 2va1 h SER 20 N 0.00 0.08 -3.55 -2.24 4.64 -2.02 -3.43 113.55 107.04 2va1 h SER 20 Ca 0.00 -0.02 -0.33 0.00 -0.47 0.00 0.00 61.79 60.97 2va1 h SER 20 Cb 0.30 -0.02 -0.33 0.00 -0.31 0.00 0.00 62.40 62.03 2va1 h SER 20 CO 0.00 0.35 -0.74 -0.44 -0.87 0.00 0.00 176.83 175.12 2va1 s SER 21 N -6.93 0.35 0.37 4.97 0.01 -1.15 -5.04 113.70 106.27 2va1 s SER 21 Ca -0.04 -0.02 0.09 0.00 1.31 0.00 0.00 55.95 57.29 2va1 s SER 21 Cb 0.15 -0.17 0.71 0.00 0.21 0.00 0.00 66.02 66.92 2va1 s SER 21 CO 0.72 -0.08 1.86 0.16 0.41 0.00 0.00 173.24 176.32 2va1 h ILE 22 N 6.06 1.21 -3.39 1.44 3.07 -1.83 -3.41 117.51 120.66 2va1 h ILE 22 Ca -0.41 -0.97 -0.53 0.00 1.55 0.00 0.00 64.86 64.50 2va1 h ILE 22 Cb 1.14 1.35 -0.34 0.00 -0.27 0.00 0.00 36.82 38.71 2va1 h ILE 22 CO 0.48 0.30 -0.82 -0.63 -1.05 0.00 0.00 178.15 176.43 2va1 s ILE 23 N -4.56 1.22 -0.23 0.16 1.01 -1.26 -4.31 121.20 113.24 2va1 s ILE 23 Ca -0.05 -0.52 -0.12 0.00 0.00 0.00 0.00 60.65 59.96 2va1 s ILE 23 Cb 0.15 -1.12 -0.05 0.00 0.01 0.00 0.00 42.46 41.45 2va1 s ILE 23 CO 0.74 0.38 0.21 -0.62 0.00 0.00 0.00 174.94 175.64 2va1 s ASP 24 N 0.73 6.20 0.26 3.58 2.15 0.15 -4.96 116.67 124.77 2va1 s ASP 24 Ca -0.13 0.22 -0.00 0.00 0.43 0.00 0.00 52.55 53.06 2va1 s ASP 24 Cb -0.16 -2.13 0.35 0.00 -0.30 0.00 0.00 42.92 40.68 2va1 s ASP 24 CO 0.03 0.05 1.72 2.19 -0.17 0.00 0.00 175.17 178.99 2va1 h PHE 25 N 7.36 0.70 -0.31 -5.34 -5.15 -1.99 -2.11 116.94 110.10 2va1 h PHE 25 Ca -0.38 -0.13 -0.14 0.00 -0.20 0.00 0.00 57.97 57.12 2va1 h PHE 25 Cb 1.17 -0.18 -0.00 0.00 0.22 0.00 0.00 35.95 37.15 2va1 h PHE 25 CO 0.66 0.76 -0.36 -0.84 -2.00 0.00 0.00 178.31 176.53 2va1 h ILE 26 N 0.58 1.29 -0.42 0.88 3.07 -1.96 -1.05 117.51 119.89 2va1 h ILE 26 Ca 0.10 -1.54 -0.05 0.00 1.55 0.00 0.00 64.86 64.92 2va1 h ILE 26 Cb 0.60 1.56 -0.02 0.00 -0.27 0.00 0.00 36.82 38.69 2va1 h ILE 26 CO 0.04 0.50 0.08 0.11 -1.05 0.00 0.00 178.15 177.83 2va1 h LYS 27 N 0.55 0.69 -0.15 0.16 1.57 -1.88 -0.77 116.57 116.73 2va1 h LYS 27 Ca 0.04 -0.18 -0.15 0.00 -1.87 0.00 0.00 60.65 58.49 2va1 h LYS 27 Cb 0.94 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 2va1 h LYS 27 CO 0.09 0.72 -0.54 0.97 -0.57 0.00 0.00 179.45 180.12 2va1 h ILE 28 N 0.55 1.33 -0.21 1.86 2.10 -1.41 -1.85 117.51 119.89 2va1 h ILE 28 Ca 0.13 -1.79 -0.15 0.00 1.08 0.00 0.00 64.86 64.12 2va1 h ILE 28 Cb 0.36 1.80 -0.01 0.00 -1.09 0.00 0.00 36.82 37.88 2va1 h ILE 28 CO 0.01 0.55 -0.50 0.78 -1.08 0.00 0.00 178.15 177.91 2va1 h ASN 29 N 0.35 0.62 -0.46 2.19 2.35 -1.14 -0.84 115.58 118.65 2va1 h ASN 29 Ca 0.01 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.43 2va1 h ASN 29 Cb 1.05 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.23 2va1 h ASN 29 CO 0.09 1.01 0.21 -0.78 -1.65 0.00 0.00 177.43 176.32 2va1 h ASP 30 N 0.45 0.61 -0.21 5.81 3.58 -1.06 -0.19 116.42 125.40 2va1 h ASP 30 Ca 0.02 -0.14 0.05 0.00 0.42 0.00 0.00 57.03 57.38 2va1 h ASP 30 Cb 1.03 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.87 2va1 h ASP 30 CO 0.09 0.58 -0.08 -0.07 -2.88 0.00 0.00 179.24 176.88 2va1 h LEU 31 N 0.60 -0.28 -0.84 2.28 -0.00 -1.22 -2.09 115.31 113.75 2va1 h LEU 31 Ca 0.16 0.08 0.03 0.00 -0.00 0.00 0.00 57.88 58.14 2va1 h LEU 31 Cb 0.14 0.17 -0.05 0.00 -0.00 0.00 0.00 40.66 40.91 2va1 h LEU 31 CO -0.02 -0.11 0.54 0.00 -0.00 0.00 0.00 178.44 178.86 2va1 h ALA 32 N 1.15 1.10 -0.56 1.53 0.00 -0.92 -1.12 119.26 120.43 2va1 h ALA 32 Ca 0.11 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2va1 h ALA 32 Cb 0.21 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2va1 h ALA 32 CO -0.25 0.39 0.36 1.49 0.00 0.00 0.00 179.25 181.24 2va1 h GLU 33 N 1.07 0.69 -0.31 0.00 4.81 -0.75 0.10 114.58 120.19 2va1 h GLU 33 Ca 0.33 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.49 2va1 h GLU 33 Cb -0.01 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2va1 h GLU 33 CO -0.11 0.46 0.08 1.96 -0.73 0.00 0.00 179.01 180.67 2va1 h GLN 34 N 0.71 0.49 -0.89 1.92 4.20 -0.95 -2.81 115.11 117.80 2va1 h GLN 34 Ca 0.22 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 2va1 h GLN 34 Cb -0.02 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 2va1 h GLN 34 CO -0.08 0.56 0.49 0.82 -0.67 0.00 0.00 178.83 179.95 2va1 h ILE 35 N 0.34 1.26 -0.28 2.54 2.04 -0.97 -0.63 117.51 121.81 2va1 h ILE 35 Ca 0.10 -0.63 0.07 0.00 1.00 0.00 0.00 64.86 65.40 2va1 h ILE 35 Cb 0.29 0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 36.35 2va1 h ILE 35 CO 0.00 0.29 -0.23 -0.08 0.00 0.00 0.00 178.15 178.13 2va1 h GLU 36 N 1.24 -0.21 -0.34 2.37 4.22 -0.84 0.13 114.58 121.14 2va1 h GLU 36 Ca 0.31 0.01 -0.08 0.00 0.08 0.00 0.00 59.36 59.69 2va1 h GLU 36 Cb 0.02 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2va1 h GLU 36 CO -0.05 -0.14 -0.08 0.87 -2.18 0.00 0.00 179.01 177.43 2va1 h LYS 37 N -0.21 0.66 -0.66 1.92 1.57 -1.21 -3.15 116.57 115.49 2va1 h LYS 37 Ca 0.15 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 2va1 h LYS 37 Cb 0.44 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 2va1 h LYS 37 CO -0.41 0.83 0.25 0.82 -0.57 0.00 0.00 179.45 180.38 2va1 h ILE 38 N 0.45 1.23 0.00 1.86 2.04 -0.83 -2.87 117.51 119.39 2va1 h ILE 38 Ca 0.09 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.21 2va1 h ILE 38 Cb 0.59 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2va1 h ILE 38 CO 0.03 0.29 0.00 -1.54 0.00 0.00 0.00 178.15 176.94 2va1 n SER 39 N -4.30 0.26 0.13 1.72 3.41 0.41 -1.38 113.62 113.87 2va1 n SER 39 Ca 0.06 0.59 -0.01 0.00 -0.26 0.00 0.00 58.87 59.24 2va1 n SER 39 Cb 0.18 -0.63 0.12 0.00 -0.26 0.00 0.00 64.21 63.61 2va1 n SER 39 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2va1 h LYS 40 N 0.00 0.00 0.00 4.33 1.79 -1.59 -3.35 116.57 117.74 2va1 h LYS 40 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2va1 h LYS 40 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2va1 h LYS 40 CO 0.00 0.65 -0.98 1.63 -1.08 0.00 0.00 179.45 179.67 2va1 n LYS 41 N -3.57 1.88 -4.13 3.15 5.02 -0.58 -5.04 118.16 114.89 2va1 n LYS 41 Ca -0.00 -0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 56.10 2va1 n LYS 41 Cb 0.69 -1.07 -0.11 0.00 -0.02 0.00 0.00 35.03 34.52 2va1 n LYS 41 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2va1 s TYR 42 N -2.25 0.91 -0.32 2.13 1.51 -0.48 -4.24 117.35 114.62 2va1 s TYR 42 Ca -0.01 -0.57 -0.25 0.00 -1.01 0.00 0.00 57.07 55.24 2va1 s TYR 42 Cb 0.06 -0.52 0.01 0.00 -0.11 0.00 0.00 41.96 41.39 2va1 s TYR 42 CO 0.34 -0.04 0.86 0.42 -1.11 0.00 0.00 175.55 176.02 2va1 s ILE 43 N -1.85 4.71 -0.22 2.71 1.01 -1.00 -4.36 121.20 122.22 2va1 s ILE 43 Ca -0.02 1.27 -0.07 0.00 0.00 0.00 0.00 60.65 61.83 2va1 s ILE 43 Cb -0.07 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 2va1 s ILE 43 CO 0.00 -0.33 0.07 -0.69 0.00 0.00 0.00 174.94 173.99 2va1 s VAL 44 N 3.15 4.55 -0.17 2.92 1.01 -1.26 -1.53 120.40 129.06 2va1 s VAL 44 Ca 0.35 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 2va1 s VAL 44 Cb -0.13 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 2va1 s VAL 44 CO 0.14 0.39 -0.07 -0.44 0.00 0.00 0.00 175.10 175.12 2va1 s SER 45 N 1.06 4.40 -0.21 3.32 0.01 -0.29 -1.32 113.70 120.67 2va1 s SER 45 Ca 0.04 -0.27 -0.07 0.00 1.31 0.00 0.00 55.95 56.96 2va1 s SER 45 Cb -0.14 -1.71 -0.03 0.00 0.21 0.00 0.00 66.02 64.34 2va1 s SER 45 CO 0.03 0.11 0.05 -0.63 0.41 0.00 0.00 173.24 173.22 2va1 s ILE 46 N 0.68 4.42 -0.28 1.44 -1.09 0.18 -0.33 121.20 126.23 2va1 s ILE 46 Ca -0.04 -0.15 -0.04 0.00 -2.23 0.00 0.00 60.65 58.20 2va1 s ILE 46 Cb -0.15 -3.02 0.02 0.00 -1.58 0.00 0.00 42.46 37.73 2va1 s ILE 46 CO 0.02 0.40 0.01 -0.69 -1.23 0.00 0.00 174.94 173.45 2va1 s VAL 47 N 0.99 3.33 -0.02 2.92 1.01 -0.52 0.35 120.40 128.46 2va1 s VAL 47 Ca 0.03 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2va1 s VAL 47 Cb -0.14 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2va1 s VAL 47 CO 0.03 0.10 0.20 -0.76 0.00 0.00 0.00 175.10 174.67 2va1 s LEU 48 N 1.38 4.37 0.56 3.92 1.43 -1.22 -0.85 118.68 128.27 2va1 s LEU 48 Ca 0.00 0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.59 2va1 s LEU 48 Cb -0.17 -2.57 0.07 0.00 0.03 0.00 0.00 46.19 43.54 2va1 s LEU 48 CO -0.01 0.28 0.77 -0.83 0.23 0.00 0.00 176.35 176.78 2va1 s GLY 49 N -1.77 1.80 -0.06 -3.19 0.00 -0.40 -4.87 107.32 98.82 2va1 s GLY 49 Ca 0.26 -1.90 0.09 0.00 0.00 0.00 0.00 44.72 43.17 2va1 s GLY 49 CO 0.16 -1.51 1.03 0.61 0.00 0.00 0.00 173.10 173.40 2va1 n GLY 50 N -2.24 2.80 0.33 0.20 0.00 -1.26 -3.94 105.19 101.07 2va1 n GLY 50 Ca 0.13 -0.56 0.18 0.00 0.00 0.00 0.00 46.02 45.76 2va1 n GLY 50 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2va1 h GLY 51 N 0.00 0.00 2.00 -0.02 0.00 -1.88 0.26 103.07 103.43 2va1 h GLY 51 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2va1 h GLY 51 CO 0.00 0.00 -0.13 3.45 0.00 0.00 0.00 176.54 179.86 2va1 h ASN 52 N 0.00 0.00 0.00 0.19 -1.07 -1.89 -3.35 115.58 109.46 2va1 h ASN 52 Ca 0.05 0.00 -0.18 0.00 0.07 0.00 0.00 56.30 56.24 2va1 h ASN 52 Cb 0.35 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.57 2va1 h ASN 52 CO -0.00 0.13 -1.65 -0.38 0.07 0.00 0.00 177.43 175.60 2va1 n ILE 53 N -3.34 0.65 -4.29 6.14 5.41 -0.28 -4.79 119.36 118.87 2va1 n ILE 53 Ca -0.00 -0.21 -0.19 0.00 1.00 0.00 0.00 62.75 63.35 2va1 n ILE 53 Cb 0.34 -1.25 -0.15 0.00 -0.71 0.00 0.00 39.64 37.86 2va1 n ILE 53 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 176.55 177.41 2va1 s TRP 54 N -2.22 0.80 0.19 1.39 -0.11 0.77 -5.12 118.94 114.64 2va1 s TRP 54 Ca -0.16 -0.20 0.04 0.00 1.22 0.00 0.00 56.10 57.01 2va1 s TRP 54 Cb 0.05 -0.60 -0.05 0.00 -1.50 0.00 0.00 33.47 31.37 2va1 s TRP 54 CO 0.23 -0.10 -0.05 1.03 -4.62 0.00 0.00 176.95 173.44 2va1 s ARG 55 N 0.31 1.22 0.47 5.86 0.52 -1.26 -3.46 118.95 122.62 2va1 s ARG 55 Ca -0.04 -1.58 0.13 0.00 -0.52 0.00 0.00 55.73 53.72 2va1 s ARG 55 Cb -0.09 -0.64 1.09 0.00 0.52 0.00 0.00 34.95 35.84 2va1 s ARG 55 CO 0.00 -0.01 2.09 0.78 0.02 0.00 0.00 175.30 178.18 2va1 h GLY 56 N 2.61 0.17 1.45 -3.53 0.00 -1.97 -2.88 103.07 98.91 2va1 h GLY 56 Ca -0.38 -0.07 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 2va1 h GLY 56 CO 0.64 0.07 -0.08 1.48 0.00 0.00 0.00 176.54 178.65 2va1 h SER 57 N 0.16 0.65 0.09 0.19 4.64 -2.01 -2.71 113.55 114.57 2va1 h SER 57 Ca 0.04 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 61.05 2va1 h SER 57 Cb 0.05 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 2va1 h SER 57 CO -0.00 0.77 -0.51 0.40 -0.87 0.00 0.00 176.83 176.61 2va1 h ILE 58 N 0.62 1.33 -0.77 0.95 2.04 -1.94 -2.81 117.51 116.92 2va1 h ILE 58 Ca 0.11 -1.74 0.04 0.00 1.00 0.00 0.00 64.86 64.27 2va1 h ILE 58 Cb 0.50 1.75 -0.05 0.00 -0.74 0.00 0.00 36.82 38.28 2va1 h ILE 58 CO 0.03 0.54 0.48 0.00 0.00 0.00 0.00 178.15 179.19 2va1 h ALA 59 N 1.09 1.03 -0.33 1.87 0.00 -1.46 -1.28 119.26 120.17 2va1 h ALA 59 Ca 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2va1 h ALA 59 Cb 1.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2va1 h ALA 59 CO 0.09 0.26 0.05 -0.22 0.00 0.00 0.00 179.25 179.43 2va1 h LYS 60 N 0.92 0.55 -0.72 0.00 3.64 -1.40 0.10 116.57 119.67 2va1 h LYS 60 Ca 0.32 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.58 2va1 h LYS 60 Cb 0.07 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 2va1 h LYS 60 CO -0.13 0.63 0.47 0.93 -2.27 0.00 0.00 179.45 179.09 2va1 h GLU 61 N 0.38 0.85 -0.23 1.90 5.08 -1.21 -1.78 114.58 119.57 2va1 h GLU 61 Ca 0.10 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2va1 h GLU 61 Cb 0.35 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2va1 h GLU 61 CO 0.01 0.56 0.00 1.28 -1.00 0.00 0.00 179.01 179.86 2va1 n LEU 62 N -4.45 1.48 -3.93 1.33 4.77 -0.51 -4.92 117.00 110.76 2va1 n LEU 62 Ca 0.09 -0.69 -0.26 0.00 -0.03 0.00 0.00 56.01 55.11 2va1 n LEU 62 Cb 0.12 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2va1 n LEU 62 CO 0.35 0.35 -0.22 -0.67 -1.33 0.00 0.00 177.39 175.86 2va1 n ASP 63 N 0.26 -0.77 -4.63 -1.43 4.64 -0.67 -4.94 116.55 109.01 2va1 n ASP 63 Ca 0.12 -1.01 -0.36 0.00 -1.38 0.00 0.00 54.79 52.16 2va1 n ASP 63 Cb 0.26 -3.06 -0.10 0.00 -1.04 0.00 0.00 41.12 37.18 2va1 n ASP 63 CO 0.00 0.00 0.00 -0.32 -0.82 0.00 0.00 177.20 176.06 2va1 s MET 64 N -6.52 4.01 0.82 -0.67 1.75 0.33 -5.04 119.30 113.98 2va1 s MET 64 Ca 0.05 -0.30 -0.11 0.00 -1.25 0.00 0.00 55.69 54.08 2va1 s MET 64 Cb -0.02 -3.47 0.09 0.00 2.84 0.00 0.00 34.83 34.27 2va1 s MET 64 CO 0.89 0.06 1.12 0.16 -0.65 0.00 0.00 175.02 176.60 2va1 s ASP 65 N 1.02 3.92 0.26 1.11 3.84 -1.26 -4.70 116.67 120.86 2va1 s ASP 65 Ca 0.07 1.98 -0.03 0.00 -0.00 0.00 0.00 52.55 54.57 2va1 s ASP 65 Cb -0.14 -2.54 0.33 0.00 -1.38 0.00 0.00 42.92 39.19 2va1 s ASP 65 CO 0.04 -2.43 1.80 -0.09 -0.00 0.00 0.00 175.17 174.48 2va1 h ARG 66 N -1.35 0.91 -0.50 2.11 9.65 -1.98 -1.21 114.38 122.00 2va1 h ARG 66 Ca -0.44 -0.19 0.07 0.00 -1.10 0.00 0.00 59.98 58.32 2va1 h ARG 66 Cb 1.25 -0.13 -0.06 0.00 -1.39 0.00 0.00 29.97 29.63 2va1 h ARG 66 CO 0.48 0.81 0.16 -0.91 2.80 0.00 0.00 179.97 183.31 2va1 h ASN 67 N 0.88 0.15 0.10 -3.80 2.35 -1.99 -1.26 115.58 112.00 2va1 h ASN 67 Ca 0.19 0.07 -0.25 0.00 -0.55 0.00 0.00 56.30 55.76 2va1 h ASN 67 Cb 0.31 0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.76 2va1 h ASN 67 CO -0.00 0.11 -0.97 0.25 -1.65 0.00 0.00 177.43 175.17 2va1 h LEU 68 N 0.33 0.79 -0.24 1.61 5.85 -1.85 -2.97 115.31 118.83 2va1 h LEU 68 Ca 0.24 -0.61 0.02 0.00 0.84 0.00 0.00 57.88 58.37 2va1 h LEU 68 Cb 0.28 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2va1 h LEU 68 CO -0.26 1.41 0.11 0.00 -0.34 0.00 0.00 178.44 179.35 2va1 h ALA 69 N 0.54 0.28 0.00 1.25 0.00 -0.97 -1.70 119.26 118.67 2va1 h ALA 69 Ca -0.10 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2va1 h ALA 69 Cb 1.61 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2va1 h ALA 69 CO 0.18 -0.30 -0.24 -0.44 0.00 0.00 0.00 179.25 178.45 2va1 h ASP 70 N 0.23 0.00 -0.66 0.00 3.32 -1.32 -2.31 116.42 115.68 2va1 h ASP 70 Ca 0.10 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 2va1 h ASP 70 Cb 0.04 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2va1 h ASP 70 CO -0.08 0.24 0.18 0.78 -1.72 0.00 0.00 179.24 178.64 2va1 h ASN 71 N 0.00 0.99 -0.56 6.45 -0.26 -1.21 -1.76 115.58 119.24 2va1 h ASN 71 Ca -0.00 -0.22 -0.01 0.00 -0.56 0.00 0.00 56.30 55.51 2va1 h ASN 71 Cb 0.47 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 37.44 2va1 h ASN 71 CO 0.03 0.96 0.32 0.24 -1.06 0.00 0.00 177.43 177.92 2va1 h MET 72 N 0.98 0.76 -0.92 0.81 2.86 -0.81 -2.40 114.93 116.20 2va1 h MET 72 Ca 0.21 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.80 2va1 h MET 72 Cb 0.34 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.79 2va1 h MET 72 CO -0.00 0.57 0.61 0.78 1.06 0.00 0.00 176.91 179.92 2va1 h GLY 73 N 0.75 1.32 1.22 8.32 0.00 -1.27 -1.61 103.07 111.79 2va1 h GLY 73 Ca 0.20 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 2va1 h GLY 73 CO -0.04 0.43 -0.08 -0.33 0.00 0.00 0.00 176.54 176.53 2va1 h MET 74 N 1.20 0.92 -0.59 4.80 2.07 -0.98 -1.82 114.93 120.54 2va1 h MET 74 Ca 0.35 -0.31 -0.05 0.00 -2.07 0.00 0.00 59.70 57.62 2va1 h MET 74 Cb -0.06 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 29.57 2va1 h MET 74 CO -0.09 0.96 0.18 0.52 1.07 0.00 0.00 176.91 179.55 2va1 h MET 75 N 0.83 0.93 -0.83 1.72 2.86 -1.10 -2.67 114.93 116.68 2va1 h MET 75 Ca 0.14 -0.20 0.06 0.00 -2.06 0.00 0.00 59.70 57.64 2va1 h MET 75 Cb 0.60 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.07 2va1 h MET 75 CO 0.04 0.83 0.51 0.00 1.06 0.00 0.00 176.91 179.35 2va1 h ALA 76 N 1.05 1.14 -0.36 6.32 0.00 -0.95 -2.28 119.26 124.18 2va1 h ALA 76 Ca 0.19 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2va1 h ALA 76 Cb 0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2va1 h ALA 76 CO -0.00 0.24 -0.03 1.79 0.00 0.00 0.00 179.25 181.25 2va1 h THR 77 N 0.93 1.21 -0.44 0.00 1.35 -1.10 -2.20 112.91 112.65 2va1 h THR 77 Ca 0.36 -0.88 -0.02 0.00 -0.55 0.00 0.00 66.41 65.32 2va1 h THR 77 Cb 0.17 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 67.55 2va1 h THR 77 CO -0.17 0.30 0.19 0.40 -0.25 0.00 0.00 175.52 175.98 2va1 h ILE 78 N 0.54 1.20 -0.14 6.82 2.04 -1.09 0.25 117.51 127.13 2va1 h ILE 78 Ca 0.11 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.39 2va1 h ILE 78 Cb 0.39 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2va1 h ILE 78 CO 0.02 0.22 0.00 0.40 0.00 0.00 0.00 178.15 178.79 2va1 h ILE 79 N 0.57 0.91 -0.95 -0.67 2.04 -1.16 -1.11 117.51 117.14 2va1 h ILE 79 Ca 0.15 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.99 2va1 h ILE 79 Cb 0.17 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 2va1 h ILE 79 CO -0.01 0.01 0.59 0.78 0.00 0.00 0.00 178.15 179.52 2va1 h ASN 80 N 0.05 1.12 -0.82 1.72 2.35 -1.24 -2.13 115.58 116.63 2va1 h ASN 80 Ca 0.06 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2va1 h ASN 80 Cb 0.08 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 2va1 h ASN 80 CO -0.11 0.84 0.49 1.23 -1.65 0.00 0.00 177.43 178.23 2va1 h GLY 81 N 1.30 1.19 1.71 2.83 0.00 -0.10 -0.76 103.07 109.23 2va1 h GLY 81 Ca 0.34 -0.50 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 2va1 h GLY 81 CO -0.07 0.48 -0.58 1.41 0.00 0.00 0.00 176.54 177.78 2va1 h LEU 82 N 1.12 0.34 -0.32 3.11 3.38 -1.01 -1.64 115.31 120.30 2va1 h LEU 82 Ca 0.29 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2va1 h LEU 82 Cb -0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2va1 h LEU 82 CO -0.05 0.85 -0.02 0.00 0.09 0.00 0.00 178.44 179.30 2va1 h ALA 83 N 1.16 0.44 -0.51 1.53 0.00 -0.99 -2.02 119.26 118.86 2va1 h ALA 83 Ca -0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2va1 h ALA 83 Cb 1.09 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2va1 h ALA 83 CO 0.09 0.21 0.01 1.25 0.00 0.00 0.00 179.25 180.81 2va1 h LEU 84 N 0.37 0.87 -0.54 0.00 6.46 -1.10 -2.22 115.31 119.16 2va1 h LEU 84 Ca 0.09 -0.30 0.06 0.00 -0.12 0.00 0.00 57.88 57.61 2va1 h LEU 84 Cb 0.48 -0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 40.12 2va1 h LEU 84 CO 0.02 0.96 0.24 -0.08 -0.62 0.00 0.00 178.44 178.96 2va1 h GLU 85 N 0.76 0.45 -0.35 1.25 4.81 -1.27 -0.50 114.58 119.72 2va1 h GLU 85 Ca 0.14 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2va1 h GLU 85 Cb 0.51 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 2va1 h GLU 85 CO 0.02 0.30 0.20 -0.97 -0.73 0.00 0.00 179.01 177.83 2va1 h ASN 86 N 0.46 0.32 -0.76 1.04 -1.24 -1.16 0.11 115.58 114.36 2va1 h ASN 86 Ca 0.25 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.26 2va1 h ASN 86 Cb 0.21 -0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.16 2va1 h ASN 86 CO -0.21 0.23 0.47 0.00 -1.29 0.00 0.00 177.43 176.64 2va1 h ALA 87 N 1.16 1.39 -0.04 1.57 0.00 -0.91 -2.35 119.26 120.08 2va1 h ALA 87 Ca 0.14 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 2va1 h ALA 87 Cb 0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2va1 h ALA 87 CO -0.07 0.53 -0.81 -0.07 0.00 0.00 0.00 179.25 178.84 2va1 h LEU 88 N 1.05 0.43 -1.14 0.00 3.38 -0.74 -3.23 115.31 115.05 2va1 h LEU 88 Ca 0.28 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2va1 h LEU 88 Cb -0.06 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2va1 h LEU 88 CO -0.05 1.07 0.37 0.78 0.09 0.00 0.00 178.44 180.70 2va1 h ASN 89 N 0.22 0.86 0.40 -0.43 2.35 -0.42 -1.73 115.58 116.84 2va1 h ASN 89 Ca -0.04 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2va1 h ASN 89 Cb 1.40 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.55 2va1 h ASN 89 CO 0.13 0.70 0.00 0.45 -1.65 0.00 0.00 177.43 177.07 2va1 h HIS 90 N 0.97 0.00 -0.69 1.19 3.86 -1.45 -1.45 115.15 117.59 2va1 h HIS 90 Ca 0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 2va1 h HIS 90 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 2va1 h HIS 90 CO 0.01 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.08 2va1 n LEU 91 N -3.02 3.89 -2.36 2.43 4.32 -0.72 -4.96 117.00 116.58 2va1 n LEU 91 Ca -0.01 -2.02 -0.19 0.00 -0.02 0.00 0.00 56.01 53.76 2va1 n LEU 91 Cb 0.16 -0.47 -0.01 0.00 -1.62 0.00 0.00 43.42 41.48 2va1 n LEU 91 CO 0.22 0.95 -0.24 0.59 -1.22 0.00 0.00 177.39 177.69 2va1 n ASN 92 N 1.49 -5.52 -4.69 -1.43 4.13 -0.55 -4.98 115.26 103.71 2va1 n ASN 92 Ca 0.23 0.05 -0.41 0.00 1.68 0.00 0.00 54.58 56.14 2va1 n ASN 92 Cb 0.61 -4.63 -0.04 0.00 -1.54 0.00 0.00 39.78 34.18 2va1 n ASN 92 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2va1 s VAL 93 N -2.94 4.96 -0.15 2.41 1.01 -0.77 -5.01 120.40 119.90 2va1 s VAL 93 Ca 0.00 1.58 -0.29 0.00 0.00 0.00 0.00 61.98 63.26 2va1 s VAL 93 Cb 0.00 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2va1 s VAL 93 CO 0.00 0.14 1.58 0.21 0.00 0.00 0.00 175.10 177.03 2va1 s ASN 94 N 0.99 6.56 0.02 3.32 3.04 -1.26 -4.39 114.94 123.22 2va1 s ASN 94 Ca 0.39 1.85 -0.03 0.00 0.04 0.00 0.00 52.86 55.11 2va1 s ASN 94 Cb -0.18 -2.53 -0.02 0.00 -1.54 0.00 0.00 41.25 36.99 2va1 s ASN 94 CO 0.16 -1.07 0.03 0.28 -3.04 0.00 0.00 177.10 173.46 2va1 s THR 95 N 4.55 0.12 -0.03 -5.21 -1.32 -1.26 -0.93 115.64 111.56 2va1 s THR 95 Ca 0.70 -0.96 -0.02 0.00 -1.21 0.00 0.00 61.69 60.20 2va1 s THR 95 Cb -0.27 -0.50 0.01 0.00 -1.51 0.00 0.00 72.50 70.23 2va1 s THR 95 CO 0.27 -0.53 0.06 -0.51 -2.21 0.00 0.00 174.62 171.70 2va1 s ILE 96 N -1.82 -0.01 -0.33 5.08 2.07 -0.23 -4.90 121.20 121.06 2va1 s ILE 96 Ca -0.12 0.05 -0.17 0.00 -1.41 0.00 0.00 60.65 59.00 2va1 s ILE 96 Cb -0.07 -0.10 -0.01 0.00 0.13 0.00 0.00 42.46 42.41 2va1 s ILE 96 CO -0.02 0.02 0.47 -0.69 -1.91 0.00 0.00 174.94 172.81 2va1 s VAL 97 N 0.32 5.07 -0.22 4.00 1.01 -1.26 -0.63 120.40 128.69 2va1 s VAL 97 Ca -0.02 0.39 -0.03 0.00 0.00 0.00 0.00 61.98 62.32 2va1 s VAL 97 Cb -0.04 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 2va1 s VAL 97 CO -0.01 -0.11 -0.07 -0.76 0.00 0.00 0.00 175.10 174.15 2va1 s LEU 98 N 2.28 2.79 -0.06 3.92 1.43 0.11 -2.39 118.68 126.75 2va1 s LEU 98 Ca 0.17 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 52.80 2va1 s LEU 98 Cb -0.16 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 2va1 s LEU 98 CO 0.12 -0.02 -0.02 -0.55 0.23 0.00 0.00 176.35 176.11 2va1 s SER 99 N 1.44 5.03 0.44 2.29 0.15 0.59 -1.22 113.70 122.43 2va1 s SER 99 Ca 0.05 0.06 0.29 0.00 0.70 0.00 0.00 55.95 57.06 2va1 s SER 99 Cb -0.14 -1.35 1.05 0.00 -1.71 0.00 0.00 66.02 63.87 2va1 s SER 99 CO -0.05 0.35 1.84 0.00 1.20 0.00 0.00 173.24 176.59 2va1 h ALA 100 N 5.02 1.00 -3.20 5.45 0.00 -1.55 0.21 119.26 126.18 2va1 h ALA 100 Ca -0.50 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.76 2va1 h ALA 100 Cb 1.18 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.70 2va1 h ALA 100 CO 0.54 0.00 -0.75 0.42 0.00 0.00 0.00 179.25 179.46 2va1 s ILE 101 N -3.47 3.13 0.09 0.00 1.01 -1.26 -4.55 121.20 116.15 2va1 s ILE 101 Ca 0.04 -0.61 -0.31 0.00 0.00 0.00 0.00 60.65 59.77 2va1 s ILE 101 Cb 0.09 -2.35 -0.09 0.00 0.01 0.00 0.00 42.46 40.12 2va1 s ILE 101 CO 0.54 0.49 1.61 -0.75 0.00 0.00 0.00 174.94 176.83 2va1 s LYS 102 N 0.77 4.21 -0.50 2.79 2.20 -1.26 -4.89 119.74 123.06 2va1 s LYS 102 Ca -0.04 2.31 0.06 0.00 -0.36 0.00 0.00 55.97 57.94 2va1 s LYS 102 Cb -0.15 -3.48 0.21 0.00 -1.51 0.00 0.00 37.83 32.90 2va1 s LYS 102 CO 0.01 -0.68 0.80 0.00 -0.36 0.00 0.00 175.35 175.13 2va1 h ASP 104 N 4.59 0.00 0.89 0.00 3.45 -1.92 -0.79 116.42 122.64 2va1 h ASP 104 Ca -0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.44 2va1 h ASP 104 Cb 1.08 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.85 2va1 h ASP 104 CO 0.12 0.00 0.00 0.11 -1.57 0.00 0.00 179.24 177.90 2va1 h LYS 105 N 0.00 0.00 0.00 3.56 1.79 -2.02 -3.35 116.57 116.55 2va1 h LYS 105 Ca 0.10 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 2va1 h LYS 105 Cb 0.42 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 2va1 h LYS 105 CO -0.00 0.00 -1.06 1.28 -1.08 0.00 0.00 179.45 178.59 2va1 n LEU 106 N -2.46 2.53 -4.00 2.94 4.32 -0.43 -5.12 117.00 114.78 2va1 n LEU 106 Ca 0.02 -0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.92 2va1 n LEU 106 Cb 0.27 -0.04 -0.09 0.00 -1.62 0.00 0.00 43.42 41.95 2va1 n LEU 106 CO 0.23 0.44 -0.21 0.68 -1.22 0.00 0.00 177.39 177.30 2va1 s VAL 107 N -2.02 0.15 0.45 4.08 -7.23 -0.47 -5.06 120.40 110.29 2va1 s VAL 107 Ca -0.01 -1.56 -0.11 0.00 -1.81 0.00 0.00 61.98 58.48 2va1 s VAL 107 Cb 0.00 -1.59 -0.06 0.00 0.56 0.00 0.00 36.38 35.29 2va1 s VAL 107 CO 0.02 -0.69 0.83 -1.00 -0.31 0.00 0.00 175.10 173.95 2va1 s HIS 108 N -3.93 3.48 0.02 2.82 3.76 -1.01 -4.00 115.29 116.44 2va1 s HIS 108 Ca 0.11 1.13 -0.20 0.00 -0.15 0.00 0.00 55.06 55.94 2va1 s HIS 108 Cb 0.06 -2.52 -0.06 0.00 1.11 0.00 0.00 32.58 31.18 2va1 s HIS 108 CO -0.07 -0.21 0.59 -2.00 -0.85 0.00 0.00 174.74 172.20 2va1 s GLU 109 N -4.04 4.29 0.31 1.40 2.12 -1.26 -0.30 118.70 121.21 2va1 s GLU 109 Ca 0.53 0.74 -0.28 0.00 0.36 0.00 0.00 54.97 56.31 2va1 s GLU 109 Cb -0.10 -3.31 -0.09 0.00 0.26 0.00 0.00 34.13 30.88 2va1 s GLU 109 CO 0.34 0.45 1.11 -1.54 -0.54 0.00 0.00 175.26 175.07 2va1 s SER 110 N -0.46 7.13 0.10 -1.70 1.04 0.74 -4.65 113.70 115.90 2va1 s SER 110 Ca 0.30 2.27 -0.26 0.00 0.48 0.00 0.00 55.95 58.74 2va1 s SER 110 Cb -0.19 -2.62 0.08 0.00 0.10 0.00 0.00 66.02 63.39 2va1 s SER 110 CO 0.18 -0.24 0.88 -0.94 0.98 0.00 0.00 173.24 174.09 2va1 s SER 111 N -0.96 -0.30 0.21 7.02 1.04 -1.26 -4.90 113.70 114.55 2va1 s SER 111 Ca 0.47 -0.21 -0.11 0.00 0.48 0.00 0.00 55.95 56.58 2va1 s SER 111 Cb -0.31 0.47 0.27 0.00 0.10 0.00 0.00 66.02 66.56 2va1 s SER 111 CO 0.40 -0.83 1.70 0.00 0.98 0.00 0.00 173.24 175.49 2va1 h ALA 112 N 2.00 0.66 0.09 5.32 0.00 -2.00 -1.26 119.26 124.08 2va1 h ALA 112 Ca -0.24 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2va1 h ALA 112 Cb 1.24 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2va1 h ALA 112 CO 0.29 -0.32 -0.04 -0.91 0.00 0.00 0.00 179.25 178.26 2va1 h ASN 113 N 0.23 -0.10 0.12 0.00 -0.26 -1.99 -2.26 115.58 111.32 2va1 h ASN 113 Ca 0.30 -0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.93 2va1 h ASN 113 Cb 0.45 0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.72 2va1 h ASN 113 CO -0.40 -0.07 -0.37 0.78 -1.06 0.00 0.00 177.43 176.30 2va1 h ASN 114 N -0.13 0.36 0.12 5.81 2.35 -1.80 0.01 115.58 122.31 2va1 h ASN 114 Ca -0.01 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 2va1 h ASN 114 Cb 0.10 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2va1 h ASN 114 CO 0.02 0.71 -0.06 0.40 -1.65 0.00 0.00 177.43 176.85 2va1 h ILE 115 N 0.30 1.03 -0.59 2.81 2.04 -1.25 -0.67 117.51 121.19 2va1 h ILE 115 Ca 0.03 -0.64 0.12 0.00 1.00 0.00 0.00 64.86 65.37 2va1 h ILE 115 Cb 0.80 1.43 -0.09 0.00 -0.74 0.00 0.00 36.82 38.22 2va1 h ILE 115 CO 0.06 0.15 0.05 0.50 0.00 0.00 0.00 178.15 178.91 2va1 h LYS 116 N -0.47 0.16 -0.77 2.37 3.64 -1.26 0.54 116.57 120.79 2va1 h LYS 116 Ca -0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2va1 h LYS 116 Cb 0.38 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 2va1 h LYS 116 CO 0.03 0.11 0.42 -0.22 -2.27 0.00 0.00 179.45 177.52 2va1 h LYS 117 N 0.16 1.07 -0.16 1.90 3.64 -0.95 -1.78 116.57 120.46 2va1 h LYS 117 Ca 0.31 -0.12 -0.14 0.00 -1.27 0.00 0.00 60.65 59.43 2va1 h LYS 117 Cb 0.48 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2va1 h LYS 117 CO -0.46 0.79 -0.48 0.00 -2.27 0.00 0.00 179.45 177.03 2va1 h ALA 118 N 1.22 0.87 -0.28 5.00 0.00 -0.26 -2.58 119.26 123.23 2va1 h ALA 118 Ca 0.27 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2va1 h ALA 118 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2va1 h ALA 118 CO -0.04 0.66 -0.11 0.82 0.00 0.00 0.00 179.25 180.57 2va1 h ILE 119 N 0.34 1.29 -0.73 0.00 2.04 -0.67 -0.34 117.51 119.44 2va1 h ILE 119 Ca 0.02 -1.18 0.05 0.00 1.00 0.00 0.00 64.86 64.74 2va1 h ILE 119 Cb 0.97 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 38.47 2va1 h ILE 119 CO 0.08 0.37 0.44 -0.33 0.00 0.00 0.00 178.15 178.72 2va1 h GLU 120 N 0.32 0.82 0.00 2.37 5.08 -1.30 -0.41 114.58 121.45 2va1 h GLU 120 Ca 0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2va1 h GLU 120 Cb 0.62 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2va1 h GLU 120 CO 0.04 0.54 0.00 1.63 -1.00 0.00 0.00 179.01 180.22 2va1 n LYS 121 N -4.69 0.19 -3.89 2.33 5.02 -0.98 -4.91 118.16 111.24 2va1 n LYS 121 Ca 0.09 0.09 -0.26 0.00 -2.02 0.00 0.00 58.31 56.21 2va1 n LYS 121 Cb 0.13 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.65 2va1 n LYS 121 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2va1 n GLU 122 N -1.37 -4.40 -2.77 1.97 1.02 -0.16 -4.99 120.64 109.93 2va1 n GLU 122 Ca 0.08 0.52 -0.34 0.00 -0.02 0.00 0.00 57.16 57.41 2va1 n GLU 122 Cb 0.21 -5.06 -0.06 0.00 -0.02 0.00 0.00 31.44 26.51 2va1 n GLU 122 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2va1 s GLN 123 N -6.42 4.22 -0.06 3.49 -0.21 -0.23 -4.90 119.66 115.56 2va1 s GLN 123 Ca 0.25 1.19 -0.30 0.00 0.02 0.00 0.00 55.36 56.52 2va1 s GLN 123 Cb -0.13 -2.25 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 2va1 s GLN 123 CO 0.85 -0.05 1.36 0.08 -2.12 0.00 0.00 175.29 175.42 2va1 s VAL 124 N -2.07 3.95 -0.34 1.09 1.01 -0.11 -4.60 120.40 119.34 2va1 s VAL 124 Ca 0.61 1.26 -0.17 0.00 0.00 0.00 0.00 61.98 63.68 2va1 s VAL 124 Cb -0.11 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 2va1 s VAL 124 CO 0.16 -0.05 0.43 -0.04 0.00 0.00 0.00 175.10 175.60 2va1 s MET 125 N 2.89 3.63 -0.47 2.72 1.00 -0.43 -1.07 119.30 127.57 2va1 s MET 125 Ca 0.61 -0.25 -0.15 0.00 0.00 0.00 0.00 55.69 55.90 2va1 s MET 125 Cb -0.28 -3.79 0.07 0.00 0.00 0.00 0.00 34.83 30.84 2va1 s MET 125 CO 0.23 -0.56 0.39 0.42 0.00 0.00 0.00 175.02 175.50 2va1 s ILE 126 N 2.20 5.14 -0.08 2.53 1.01 0.20 0.48 121.20 132.67 2va1 s ILE 126 Ca 0.15 -1.10 -0.23 0.00 0.00 0.00 0.00 60.65 59.47 2va1 s ILE 126 Cb -0.16 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 2va1 s ILE 126 CO 0.12 -0.58 0.69 -0.36 0.00 0.00 0.00 174.94 174.81 2va1 s PHE 127 N 1.62 3.55 0.14 3.97 0.40 0.15 -0.71 117.98 127.10 2va1 s PHE 127 Ca 0.04 1.21 0.02 0.00 -0.60 0.00 0.00 56.93 57.60 2va1 s PHE 127 Cb -0.24 -2.80 -0.04 0.00 0.51 0.00 0.00 43.02 40.44 2va1 s PHE 127 CO 0.06 0.06 -0.05 0.14 0.70 0.00 0.00 175.22 176.13 2va1 s VAL 128 N 0.94 0.81 -1.63 -0.44 -7.23 -0.35 -3.39 120.40 109.10 2va1 s VAL 128 Ca 0.36 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 2va1 s VAL 128 Cb -0.17 -1.89 0.00 0.00 0.56 0.00 0.00 36.38 34.88 2va1 s VAL 128 CO 0.17 -0.69 0.00 0.00 -0.31 0.00 0.00 175.10 174.27 2va1 n ALA 129 N -0.16 -0.38 -0.86 1.32 0.00 -1.26 -1.69 120.51 117.49 2va1 n ALA 129 Ca -0.10 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2va1 n ALA 129 Cb 0.62 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2va1 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2va1 n GLY 130 N -0.95 4.01 0.57 0.00 0.00 -1.26 -1.54 105.19 106.01 2va1 n GLY 130 Ca -0.19 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.06 2va1 n GLY 130 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2va1 n THR 131 N 0.00 0.00 -0.99 2.61 -2.24 -1.26 -4.50 114.28 107.91 2va1 n THR 131 Ca 0.00 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2va1 n THR 131 Cb 0.00 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 2va1 n THR 131 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2va1 n GLY 132 N 0.91 0.52 3.28 3.38 0.00 -0.59 -4.91 105.19 107.78 2va1 n GLY 132 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 2va1 n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2va1 s PHE 133 N -2.21 1.92 0.91 1.61 0.40 -1.26 -5.01 117.98 114.34 2va1 s PHE 133 Ca 0.00 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 55.82 2va1 s PHE 133 Cb 0.00 -1.13 0.13 0.00 0.51 0.00 0.00 43.02 42.54 2va1 s PHE 133 CO 0.00 0.13 1.10 -1.25 0.70 0.00 0.00 175.22 175.90 2va1 s PRO 134 N -1.36 1.18 -0.74 0.24 0.04 -1.26 -4.22 135.00 128.87 2va1 s PRO 134 Ca 0.08 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2va1 s PRO 134 Cb -0.09 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2va1 s PRO 134 CO 0.02 -2.24 0.00 0.66 0.04 0.00 0.00 177.00 175.49 2va1 n TYR 135 N -3.84 -0.21 -4.84 0.56 4.02 -1.26 -5.04 117.16 106.55 2va1 n TYR 135 Ca 0.06 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.66 2va1 n TYR 135 Cb 0.57 -1.91 -0.14 0.00 -0.02 0.00 0.00 39.34 37.84 2va1 n TYR 135 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2va1 s PHE 136 N -2.35 2.25 0.33 -0.72 0.40 -1.26 -5.14 117.98 111.49 2va1 s PHE 136 Ca 0.00 -0.41 0.05 0.00 -0.60 0.00 0.00 56.93 55.97 2va1 s PHE 136 Cb 0.00 -1.34 -0.02 0.00 0.51 0.00 0.00 43.02 42.18 2va1 s PHE 136 CO 0.00 0.14 0.48 0.95 0.70 0.00 0.00 175.22 177.49 2va1 s THR 137 N -0.82 4.46 0.31 0.64 -4.23 -1.26 -5.00 115.64 109.73 2va1 s THR 137 Ca 0.11 -0.87 0.07 0.00 -1.18 0.00 0.00 61.69 59.82 2va1 s THR 137 Cb -0.10 -3.58 0.30 0.00 1.34 0.00 0.00 72.50 70.47 2va1 s THR 137 CO 0.02 -0.26 1.78 0.74 -0.54 0.00 0.00 174.62 176.36 2va1 h THR 138 N 0.87 0.70 -0.48 3.99 2.02 -2.00 -2.15 112.91 115.86 2va1 h THR 138 Ca -0.48 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 66.37 2va1 h THR 138 Cb 1.25 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 2va1 h THR 138 CO 0.56 0.14 -0.00 0.44 0.37 0.00 0.00 175.52 177.03 2va1 h ASP 139 N 0.74 0.83 -0.88 4.18 3.32 -1.99 -0.91 116.42 121.72 2va1 h ASP 139 Ca 0.58 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 2va1 h ASP 139 Cb 0.93 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.22 2va1 h ASP 139 CO -0.38 0.94 0.54 0.28 -1.72 0.00 0.00 179.24 178.90 2va1 h SER 140 N 0.70 1.05 -0.66 6.45 0.02 -1.81 -0.83 113.55 118.47 2va1 h SER 140 Ca 0.14 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 2va1 h SER 140 Cb 0.51 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 2va1 h SER 140 CO 0.03 0.80 0.19 0.00 -1.14 0.00 0.00 176.83 176.71 2va1 h ALA 142 N 1.08 1.33 -0.13 0.00 0.00 -0.72 0.14 119.26 120.95 2va1 h ALA 142 Ca 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2va1 h ALA 142 Cb 0.31 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2va1 h ALA 142 CO -0.00 0.51 0.03 0.00 0.00 0.00 0.00 179.25 179.79 2va1 h ALA 143 N 1.42 0.18 -0.47 0.00 0.00 -0.75 -0.96 119.26 118.67 2va1 h ALA 143 Ca 0.40 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2va1 h ALA 143 Cb 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2va1 h ALA 143 CO -0.14 -0.18 0.23 0.82 0.00 0.00 0.00 179.25 179.98 2va1 h ILE 144 N 0.01 1.18 -0.42 0.00 1.08 -0.90 -1.74 117.51 116.72 2va1 h ILE 144 Ca 0.04 -0.51 -0.07 0.00 -0.39 0.00 0.00 64.86 63.93 2va1 h ILE 144 Cb 0.27 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 34.65 2va1 h ILE 144 CO 0.00 0.20 -0.03 0.03 -0.69 0.00 0.00 178.15 177.66 2va1 h ARG 145 N 0.62 0.69 -0.19 2.37 2.47 -0.71 0.11 114.38 119.74 2va1 h ARG 145 Ca 0.16 -0.18 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 2va1 h ARG 145 Cb 0.11 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 2va1 h ARG 145 CO -0.02 0.73 0.08 0.00 0.56 0.00 0.00 179.97 181.32 2va1 h ALA 146 N 1.32 0.24 -0.35 0.04 0.00 -0.87 -0.29 119.26 119.35 2va1 h ALA 146 Ca 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2va1 h ALA 146 Cb 0.45 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2va1 h ALA 146 CO 0.02 -0.17 0.12 0.00 0.00 0.00 0.00 179.25 179.22 2va1 h ALA 147 N 0.93 0.46 -0.73 0.00 0.00 -1.15 0.57 119.26 119.34 2va1 h ALA 147 Ca 0.06 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2va1 h ALA 147 Cb 0.16 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2va1 h ALA 147 CO -0.01 0.08 0.48 1.49 0.00 0.00 0.00 179.25 181.29 2va1 h GLU 148 N 0.41 0.94 -0.09 0.00 4.81 -0.85 -2.03 114.58 117.77 2va1 h GLU 148 Ca 0.11 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2va1 h GLU 148 Cb 0.23 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2va1 h GLU 148 CO -0.01 0.62 0.00 0.25 -0.73 0.00 0.00 179.01 179.15 2va1 n THR 149 N -4.59 0.11 -3.59 0.32 -2.24 -0.13 -4.94 114.28 99.21 2va1 n THR 149 Ca 0.07 -0.32 -0.23 0.00 -2.27 0.00 0.00 64.05 61.29 2va1 n THR 149 Cb 0.03 0.51 0.08 0.00 -2.10 0.00 0.00 70.33 68.85 2va1 n THR 149 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2va1 n GLU 150 N 0.34 -7.69 -3.19 -0.78 1.02 -0.33 -4.97 120.64 105.04 2va1 n GLU 150 Ca 0.18 0.82 -0.39 0.00 -0.02 0.00 0.00 57.16 57.75 2va1 n GLU 150 Cb 0.37 -5.86 -0.05 0.00 -0.02 0.00 0.00 31.44 25.87 2va1 n GLU 150 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2va1 s SER 151 N -3.47 6.83 0.00 1.62 0.01 0.19 -4.74 113.70 114.14 2va1 s SER 151 Ca 0.51 0.99 0.26 0.00 1.31 0.00 0.00 55.95 59.03 2va1 s SER 151 Cb -0.23 -2.35 0.77 0.00 0.21 0.00 0.00 66.02 64.43 2va1 s SER 151 CO 0.74 -0.05 1.59 -1.54 0.41 0.00 0.00 173.24 174.38 2va1 n SER 152 N 3.71 0.64 -3.83 2.44 3.41 -1.24 -4.46 113.62 114.30 2va1 n SER 152 Ca -0.04 -0.47 -0.12 0.00 -0.26 0.00 0.00 58.87 57.98 2va1 n SER 152 Cb 0.51 0.09 -0.13 0.00 -0.26 0.00 0.00 64.21 64.43 2va1 n SER 152 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2va1 s ILE 153 N -2.74 -0.00 -0.20 -1.33 2.07 -1.26 -0.64 121.20 117.10 2va1 s ILE 153 Ca 0.19 0.02 -0.04 0.00 -1.41 0.00 0.00 60.65 59.41 2va1 s ILE 153 Cb 0.19 -0.15 -0.01 0.00 0.13 0.00 0.00 42.46 42.62 2va1 s ILE 153 CO 0.58 0.01 -0.05 -0.63 -1.91 0.00 0.00 174.94 172.95 2va1 s ILE 154 N 0.15 3.44 -0.42 2.00 1.01 0.56 -2.25 121.20 125.70 2va1 s ILE 154 Ca -0.01 -0.48 -0.28 0.00 0.00 0.00 0.00 60.65 59.88 2va1 s ILE 154 Cb -0.02 -2.55 0.02 0.00 0.01 0.00 0.00 42.46 39.93 2va1 s ILE 154 CO -0.00 0.44 1.07 -0.76 0.00 0.00 0.00 174.94 175.69 2va1 s LEU 155 N 1.24 3.79 -0.81 2.97 1.02 0.70 -0.59 118.68 127.01 2va1 s LEU 155 Ca 0.03 0.59 -0.09 0.00 0.02 0.00 0.00 54.13 54.68 2va1 s LEU 155 Cb -0.14 -3.48 0.21 0.00 0.02 0.00 0.00 46.19 42.80 2va1 s LEU 155 CO -0.01 -1.09 0.71 -0.32 0.02 0.00 0.00 176.35 175.66 2va1 s MET 156 N 4.06 3.35 -0.01 1.70 1.75 0.12 -1.60 119.30 128.67 2va1 s MET 156 Ca 0.45 -2.64 -0.30 0.00 -1.25 0.00 0.00 55.69 51.95 2va1 s MET 156 Cb -0.09 -4.21 -0.05 0.00 2.84 0.00 0.00 34.83 33.32 2va1 s MET 156 CO 0.25 -1.25 1.44 0.20 -0.65 0.00 0.00 175.02 175.01 2va1 s GLY 157 N 1.45 1.78 0.04 2.11 0.00 -1.25 -2.64 107.32 108.81 2va1 s GLY 157 Ca 0.20 0.88 0.02 0.00 0.00 0.00 0.00 44.72 45.82 2va1 s GLY 157 CO -0.08 2.60 0.04 0.54 0.00 0.00 0.00 173.10 176.20 2va1 s LYS 158 N 2.68 2.82 -0.90 2.90 1.02 0.69 -4.80 119.74 124.14 2va1 s LYS 158 Ca 0.65 -0.65 -0.17 0.00 0.02 0.00 0.00 55.97 55.81 2va1 s LYS 158 Cb -0.31 -2.69 0.16 0.00 -0.52 0.00 0.00 37.83 34.46 2va1 s LYS 158 CO 0.26 0.60 1.02 -0.80 -0.92 0.00 0.00 175.35 175.51 2va1 s ASN 159 N -1.96 6.68 0.00 2.83 0.01 -1.26 -1.02 114.94 120.23 2va1 s ASN 159 Ca 0.24 -2.26 0.00 0.00 -0.71 0.00 0.00 52.86 50.12 2va1 s ASN 159 Cb -0.12 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 39.20 2va1 s ASN 159 CO 0.16 -0.90 0.00 0.61 -1.51 0.00 0.00 177.10 175.45 2va1 n GLY 160 N 5.00 1.88 3.84 0.66 0.00 -1.26 -5.03 105.19 110.27 2va1 n GLY 160 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2va1 n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2va1 s VAL 161 N -2.00 5.42 -1.06 1.61 1.01 -1.26 -5.00 120.40 119.12 2va1 s VAL 161 Ca 0.00 0.31 0.28 0.00 0.00 0.00 0.00 61.98 62.56 2va1 s VAL 161 Cb 0.00 -3.47 0.18 0.00 0.00 0.00 0.00 36.38 33.10 2va1 s VAL 161 CO 0.00 0.57 1.75 0.47 0.00 0.00 0.00 175.10 177.89 2va1 n ASP 162 N 2.35 0.20 0.00 3.32 9.92 -1.26 -2.47 116.55 128.62 2va1 n ASP 162 Ca -0.18 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 2va1 n ASP 162 Cb 0.54 -0.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.81 2va1 n ASP 162 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2va1 n GLY 163 N 1.48 -0.29 3.66 0.44 0.00 -1.26 -4.00 105.19 105.22 2va1 n GLY 163 Ca 0.07 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 2va1 n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2va1 s VAL 164 N -3.70 4.84 0.00 1.61 1.01 -1.26 -4.97 120.40 117.93 2va1 s VAL 164 Ca 0.00 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.67 2va1 s VAL 164 Cb 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2va1 s VAL 164 CO 0.00 -0.02 0.00 -1.22 0.00 0.00 0.00 175.10 173.86 2va1 n TYR 165 N 5.51 0.00 -2.70 5.22 4.02 -1.26 -2.45 117.16 125.50 2va1 n TYR 165 Ca 0.06 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.88 2va1 n TYR 165 Cb 0.48 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.90 2va1 n TYR 165 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2va1 n ASP 166 N 0.00 -1.96 0.00 7.72 4.64 -1.26 -4.82 116.55 120.87 2va1 n ASP 166 Ca 0.00 -2.74 0.00 0.00 -1.38 0.00 0.00 54.79 50.67 2va1 n ASP 166 Cb 0.00 1.28 0.00 0.00 -1.04 0.00 0.00 41.12 41.36 2va1 n ASP 166 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 2va1 n SER 167 N -0.29 -3.21 0.00 1.67 3.41 -1.26 -5.19 113.62 108.75 2va1 n SER 167 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2va1 n SER 167 Cb 0.79 -2.13 0.00 0.00 -0.26 0.00 0.00 64.21 62.61 2va1 n SER 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2va1 n GLN 176 N 0.51 0.00 -2.15 4.33 0.00 -1.26 -5.25 117.38 113.56 2va1 n GLN 176 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.00 56.68 2va1 n GLN 176 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.50 2va1 n GLN 176 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 2va1 s PHE 177 N 0.00 3.48 -0.18 2.61 5.36 -1.26 -4.39 117.98 123.60 2va1 s PHE 177 Ca 0.00 1.40 0.01 0.00 -0.96 0.00 0.00 56.93 57.38 2va1 s PHE 177 Cb 0.00 -2.78 0.04 0.00 -0.34 0.00 0.00 43.02 39.94 2va1 s PHE 177 CO 0.00 -0.56 -0.11 0.71 -1.46 0.00 0.00 175.22 173.80 2va1 s TYR 178 N -2.84 2.34 0.19 10.12 1.51 -1.03 -4.99 117.35 122.65 2va1 s TYR 178 Ca 0.58 -1.49 -0.07 0.00 -1.01 0.00 0.00 57.07 55.08 2va1 s TYR 178 Cb -0.11 -1.62 0.11 0.00 -0.11 0.00 0.00 41.96 40.23 2va1 s TYR 178 CO 0.41 -0.72 1.60 1.49 -1.11 0.00 0.00 175.55 177.22 2va1 h GLU 179 N 8.00 0.88 -2.59 -0.62 4.57 -1.91 -3.38 114.58 119.53 2va1 h GLU 179 Ca -0.30 -0.36 -0.10 0.00 -1.18 0.00 0.00 59.36 57.41 2va1 h GLU 179 Cb 1.11 -0.04 -0.23 0.00 -0.16 0.00 0.00 28.75 29.43 2va1 h GLU 179 CO 0.49 1.00 -0.15 -1.58 -1.18 0.00 0.00 179.01 177.59 2va1 s HIS 180 N -4.65 -0.51 -0.09 0.92 5.04 -1.26 -2.86 115.29 111.87 2va1 s HIS 180 Ca -0.10 1.21 -0.09 0.00 -1.54 0.00 0.00 55.06 54.53 2va1 s HIS 180 Cb 0.13 0.18 0.03 0.00 0.04 0.00 0.00 32.58 32.96 2va1 s HIS 180 CO 0.85 -0.28 0.26 -1.50 -2.34 0.00 0.00 174.74 171.74 2va1 s ILE 181 N 0.09 0.00 0.61 0.89 2.07 -0.19 -4.94 121.20 119.73 2va1 s ILE 181 Ca -0.01 -0.04 -0.14 0.00 -1.41 0.00 0.00 60.65 59.05 2va1 s ILE 181 Cb -0.03 -0.39 -0.03 0.00 0.13 0.00 0.00 42.46 42.14 2va1 s ILE 181 CO 0.01 -0.02 1.05 -0.89 -1.91 0.00 0.00 174.94 173.18 2va1 s THR 182 N 0.05 4.03 0.20 4.00 2.01 -1.26 -2.09 115.64 122.57 2va1 s THR 182 Ca -0.01 0.86 -0.10 0.00 0.31 0.00 0.00 61.69 62.75 2va1 s THR 182 Cb -0.02 -3.46 0.13 0.00 0.01 0.00 0.00 72.50 69.16 2va1 s THR 182 CO 0.01 -0.66 1.81 -0.26 -0.69 0.00 0.00 174.62 174.83 2va1 h PHE 183 N 0.17 0.99 0.18 4.92 -1.00 -1.81 -1.70 116.94 118.68 2va1 h PHE 183 Ca -0.46 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.30 2va1 h PHE 183 Cb 1.21 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 40.44 2va1 h PHE 183 CO 0.61 0.70 -0.15 -0.91 -1.61 0.00 0.00 178.31 176.95 2va1 h ASN 184 N 0.99 -0.40 0.21 2.17 2.35 -1.93 -2.17 115.58 116.80 2va1 h ASN 184 Ca 0.25 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 56.03 2va1 h ASN 184 Cb 0.05 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 2va1 h ASN 184 CO -0.04 -0.24 -0.05 -0.03 -1.65 0.00 0.00 177.43 175.42 2va1 h MET 185 N -0.35 0.00 -0.07 0.81 4.05 -1.93 -1.54 114.93 115.90 2va1 h MET 185 Ca -0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 2va1 h MET 185 Cb 0.32 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.12 2va1 h MET 185 CO -0.02 0.05 -0.11 0.00 0.23 0.00 0.00 176.91 177.06 2va1 h ALA 186 N 1.95 0.11 0.00 0.39 0.00 -0.79 -2.66 119.26 118.26 2va1 h ALA 186 Ca -0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 2va1 h ALA 186 Cb 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2va1 h ALA 186 CO 0.01 -0.03 -0.56 1.37 0.00 0.00 0.00 179.25 180.04 2va1 h LEU 187 N -0.26 0.00 -0.75 0.00 8.10 -1.00 -1.81 115.31 119.60 2va1 h LEU 187 Ca 0.01 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.87 2va1 h LEU 187 Cb 0.66 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.87 2va1 h LEU 187 CO 0.02 0.56 -0.51 0.74 -4.11 0.00 0.00 178.44 175.15 2va1 h THR 188 N 0.00 1.34 -0.01 0.15 2.02 -1.39 -3.04 112.91 111.99 2va1 h THR 188 Ca -0.01 -1.75 0.00 0.00 0.77 0.00 0.00 66.41 65.42 2va1 h THR 188 Cb 1.24 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 2va1 h THR 188 CO 0.07 0.52 -0.11 1.67 0.37 0.00 0.00 175.52 178.04 2va1 n GLN 189 N -3.95 0.92 -3.42 6.66 -0.06 -1.00 -4.94 117.38 111.58 2va1 n GLN 189 Ca -0.02 -0.40 -0.20 0.00 -2.00 0.00 0.00 57.00 54.38 2va1 n GLN 189 Cb 0.55 -1.49 0.07 0.00 -4.06 0.00 0.00 30.24 25.31 2va1 n GLN 189 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2va1 n ASN 190 N -0.69 -5.27 -4.75 1.69 5.15 -0.86 -5.00 115.26 105.54 2va1 n ASN 190 Ca 0.16 -0.48 -0.37 0.00 -0.60 0.00 0.00 54.58 53.28 2va1 n ASN 190 Cb 0.29 -4.46 -0.06 0.00 -0.53 0.00 0.00 39.78 35.02 2va1 n ASN 190 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2va1 s LEU 191 N -6.39 4.30 -1.14 1.20 1.43 -0.74 -5.03 118.68 112.32 2va1 s LEU 191 Ca 0.44 0.74 -0.09 0.00 -1.03 0.00 0.00 54.13 54.19 2va1 s LEU 191 Cb -0.19 -2.57 0.26 0.00 0.03 0.00 0.00 46.19 43.72 2va1 s LEU 191 CO 0.63 0.10 1.34 2.29 0.23 0.00 0.00 176.35 180.94 2va1 n LYS 192 N 3.28 3.77 -0.03 1.70 2.85 -1.26 -4.73 118.16 123.73 2va1 n LYS 192 Ca -0.10 -4.29 -0.14 0.00 -1.05 0.00 0.00 58.31 52.73 2va1 n LYS 192 Cb 0.52 -2.66 -0.11 0.00 -0.65 0.00 0.00 35.03 32.13 2va1 n LYS 192 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2va1 h VAL 193 N 3.77 1.53 -4.18 0.58 2.07 -1.96 -3.46 116.25 114.60 2va1 h VAL 193 Ca 0.23 -1.74 -0.32 0.00 0.82 0.00 0.00 66.70 65.69 2va1 h VAL 193 Cb 0.78 2.64 -0.14 0.00 -1.52 0.00 0.00 31.29 33.05 2va1 h VAL 193 CO 1.20 0.47 -0.60 -0.04 0.02 0.00 0.00 177.57 178.61 2va1 s MET 194 N -3.38 1.38 0.82 1.57 -1.94 -1.26 -5.14 119.30 111.36 2va1 s MET 194 Ca -0.16 -1.75 -0.11 0.00 -1.71 0.00 0.00 55.69 51.95 2va1 s MET 194 Cb 0.01 0.00 0.09 0.00 2.01 0.00 0.00 34.83 36.94 2va1 s MET 194 CO 0.71 -0.38 1.13 0.16 -0.01 0.00 0.00 175.02 176.64 2va1 s ASP 195 N -3.27 3.82 0.34 3.03 -4.77 -1.26 -4.78 116.67 109.78 2va1 s ASP 195 Ca 0.38 2.08 0.06 0.00 -3.30 0.00 0.00 52.55 51.76 2va1 s ASP 195 Cb 0.07 -2.55 0.72 0.00 -1.09 0.00 0.00 42.92 40.07 2va1 s ASP 195 CO 0.14 -2.50 1.91 0.00 0.70 0.00 0.00 175.17 175.42 2va1 h ALA 196 N -1.24 1.71 -0.10 2.11 0.00 -1.99 -2.05 119.26 117.70 2va1 h ALA 196 Ca -0.44 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2va1 h ALA 196 Cb 1.26 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2va1 h ALA 196 CO 0.47 0.11 0.04 1.15 0.00 0.00 0.00 179.25 181.02 2va1 h THR 197 N 0.79 1.14 -0.72 0.00 2.02 -2.00 -1.39 112.91 112.76 2va1 h THR 197 Ca 0.39 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2va1 h THR 197 Cb 0.45 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2va1 h THR 197 CO -0.16 0.13 0.35 0.00 0.37 0.00 0.00 175.52 176.21 2va1 h ALA 198 N 0.88 0.93 -0.16 6.16 0.00 -1.78 -1.29 119.26 124.01 2va1 h ALA 198 Ca 0.03 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2va1 h ALA 198 Cb 0.17 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2va1 h ALA 198 CO -0.00 0.48 -0.07 -0.07 0.00 0.00 0.00 179.25 179.59 2va1 h LEU 199 N 1.00 -0.24 -0.40 0.00 4.07 -1.28 -1.28 115.31 117.19 2va1 h LEU 199 Ca 0.25 0.06 0.01 0.00 0.08 0.00 0.00 57.88 58.28 2va1 h LEU 199 Cb 0.10 0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 2va1 h LEU 199 CO -0.03 -0.09 0.26 0.00 -1.08 0.00 0.00 178.44 177.49 2va1 h ALA 200 N 1.10 0.51 -0.50 1.53 0.00 -0.95 -1.18 119.26 119.76 2va1 h ALA 200 Ca 0.09 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2va1 h ALA 200 Cb 0.18 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2va1 h ALA 200 CO -0.19 -0.05 0.18 -0.07 0.00 0.00 0.00 179.25 179.11 2va1 h LEU 201 N 0.53 0.17 -0.51 0.00 4.07 -1.08 0.11 115.31 118.60 2va1 h LEU 201 Ca 0.15 0.06 -0.06 0.00 0.08 0.00 0.00 57.88 58.11 2va1 h LEU 201 Cb -0.05 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 2va1 h LEU 201 CO -0.04 0.12 0.09 0.00 -1.08 0.00 0.00 178.44 177.54 2va1 h GLN 203 N 0.73 0.10 -0.73 0.00 4.20 -0.97 0.23 115.11 118.66 2va1 h GLN 203 Ca 0.16 -0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.94 2va1 h GLN 203 Cb 0.39 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 2va1 h GLN 203 CO 0.01 0.26 0.48 0.93 -0.67 0.00 0.00 178.83 179.84 2va1 h GLU 204 N -0.08 0.61 -0.23 1.46 5.08 -0.96 -2.88 114.58 117.59 2va1 h GLU 204 Ca 0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2va1 h GLU 204 Cb 0.20 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2va1 h GLU 204 CO -0.00 0.41 0.00 0.09 -1.00 0.00 0.00 179.01 178.50 2va1 n ASN 205 N -4.49 3.41 -3.75 1.42 3.02 -1.03 -5.00 115.26 108.83 2va1 n ASN 205 Ca 0.12 -2.79 -0.23 0.00 -0.03 0.00 0.00 54.58 51.66 2va1 n ASN 205 Cb 0.34 -0.44 0.03 0.00 -0.61 0.00 0.00 39.78 39.09 2va1 n ASN 205 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2va1 n ASN 206 N -0.44 -1.40 -4.64 6.41 4.13 -0.50 -4.98 115.26 113.83 2va1 n ASN 206 Ca 0.18 -0.84 -0.35 0.00 1.68 0.00 0.00 54.58 55.25 2va1 n ASN 206 Cb 0.74 -3.91 -0.10 0.00 -1.54 0.00 0.00 39.78 34.97 2va1 n ASN 206 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2va1 s ILE 207 N -3.67 4.98 0.34 2.41 1.01 0.71 -4.86 121.20 122.11 2va1 s ILE 207 Ca 0.07 0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.72 2va1 s ILE 207 Cb -0.03 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 2va1 s ILE 207 CO 0.82 0.42 0.59 0.20 0.00 0.00 0.00 174.94 176.97 2va1 s ASN 208 N 0.65 6.38 0.00 3.58 0.02 0.19 -4.58 114.94 121.18 2va1 s ASN 208 Ca 0.05 0.68 0.03 0.00 -1.02 0.00 0.00 52.86 52.60 2va1 s ASN 208 Cb -0.13 -2.13 -0.03 0.00 0.02 0.00 0.00 41.25 38.98 2va1 s ASN 208 CO 0.01 -0.28 -0.08 -0.76 0.02 0.00 0.00 177.10 176.01 2va1 s LEU 209 N -3.94 3.11 -0.42 0.60 1.43 -0.80 -0.32 118.68 118.33 2va1 s LEU 209 Ca 0.43 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 2va1 s LEU 209 Cb -0.10 -1.78 0.12 0.00 0.03 0.00 0.00 46.19 44.46 2va1 s LEU 209 CO 0.34 0.29 0.16 -0.22 0.23 0.00 0.00 176.35 177.15 2va1 s LEU 210 N -1.36 4.01 -0.12 1.79 0.20 0.25 -1.36 118.68 122.09 2va1 s LEU 210 Ca 0.16 -2.50 -0.21 0.00 0.69 0.00 0.00 54.13 52.28 2va1 s LEU 210 Cb -0.11 -1.46 -0.04 0.00 -0.43 0.00 0.00 46.19 44.15 2va1 s LEU 210 CO 0.07 -0.31 0.59 -0.69 -0.29 0.00 0.00 176.35 175.72 2va1 s VAL 211 N 0.44 5.10 0.28 1.68 1.01 0.11 -0.70 120.40 128.33 2va1 s VAL 211 Ca 0.14 1.18 -0.15 0.00 0.00 0.00 0.00 61.98 63.15 2va1 s VAL 211 Cb -0.22 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.24 2va1 s VAL 211 CO -0.06 0.26 0.60 0.72 0.00 0.00 0.00 175.10 176.62 2va1 s PHE 212 N 0.95 0.21 -0.42 5.22 -0.12 -1.08 -0.99 117.98 121.75 2va1 s PHE 212 Ca 0.31 -0.63 -0.25 0.00 -0.05 0.00 0.00 56.93 56.31 2va1 s PHE 212 Cb -0.16 0.42 0.02 0.00 -0.63 0.00 0.00 43.02 42.67 2va1 s PHE 212 CO 0.13 -1.16 0.87 1.21 -0.05 0.00 0.00 175.22 176.22 2va1 s ASN 213 N -3.01 6.53 0.29 1.98 2.47 -1.03 -0.22 114.94 121.95 2va1 s ASN 213 Ca 0.19 0.23 0.23 0.00 0.42 0.00 0.00 52.86 53.93 2va1 s ASN 213 Cb -0.03 -2.43 0.26 0.00 -1.45 0.00 0.00 41.25 37.60 2va1 s ASN 213 CO 0.10 -0.92 1.38 -0.29 -3.72 0.00 0.00 177.10 173.65 2va1 h ILE 214 N 5.94 0.00 0.00 -5.21 2.10 -1.34 -3.32 117.51 115.68 2va1 h ILE 214 Ca -0.24 -0.89 -0.06 0.00 1.08 0.00 0.00 64.86 64.75 2va1 h ILE 214 Cb 1.08 1.65 -0.01 0.00 -1.09 0.00 0.00 36.82 38.45 2va1 h ILE 214 CO 0.98 0.00 -0.30 0.44 -1.08 0.00 0.00 178.15 178.19 2va1 h ASP 215 N 0.00 0.00 -3.96 2.19 5.19 -1.92 -3.44 116.42 114.48 2va1 h ASP 215 Ca 0.00 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.88 2va1 h ASP 215 Cb 0.94 0.00 0.09 0.00 0.18 0.00 0.00 39.33 40.54 2va1 h ASP 215 CO 0.00 0.30 0.61 -0.75 -3.12 0.00 0.00 179.24 176.28 2va1 s LYS 216 N -4.01 3.88 0.24 3.56 2.20 -1.25 -4.96 119.74 119.40 2va1 s LYS 216 Ca -0.02 2.14 -0.31 0.00 -0.36 0.00 0.00 55.97 57.42 2va1 s LYS 216 Cb 0.13 -2.69 -0.13 0.00 -1.51 0.00 0.00 37.83 33.63 2va1 s LYS 216 CO 0.68 -0.56 1.50 -2.30 -0.36 0.00 0.00 175.35 174.31 2va1 n PRO 217 N -0.02 2.27 -1.93 4.03 -0.02 -1.26 -2.46 135.00 135.61 2va1 n PRO 217 Ca 0.04 0.81 -0.20 0.00 -2.02 0.00 0.00 63.50 62.13 2va1 n PRO 217 Cb 0.44 -2.53 -0.05 0.00 -0.02 0.00 0.00 33.50 31.34 2va1 n PRO 217 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2va1 n ASN 218 N 2.45 -5.51 -0.14 2.55 4.13 -1.26 -4.91 115.26 112.57 2va1 n ASN 218 Ca 0.12 0.29 -0.05 0.00 1.68 0.00 0.00 54.58 56.62 2va1 n ASN 218 Cb 0.33 -4.76 0.04 0.00 -1.54 0.00 0.00 39.78 33.85 2va1 n ASN 218 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2va1 h ALA 219 N 0.46 0.56 -0.31 5.41 0.00 -1.77 -0.56 119.26 123.05 2va1 h ALA 219 Ca -0.44 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 2va1 h ALA 219 Cb 1.33 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2va1 h ALA 219 CO 0.59 -0.18 -0.31 0.82 0.00 0.00 0.00 179.25 180.16 2va1 h ILE 220 N 0.39 1.29 -0.39 0.00 2.04 -1.89 -1.97 117.51 116.99 2va1 h ILE 220 Ca 0.21 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 2va1 h ILE 220 Cb 0.17 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2va1 h ILE 220 CO -0.18 0.48 0.22 0.58 0.00 0.00 0.00 178.15 179.24 2va1 h VAL 221 N 0.53 1.15 -0.70 1.67 2.07 -1.85 -3.11 116.25 116.00 2va1 h VAL 221 Ca 0.05 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 2va1 h VAL 221 Cb 0.89 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 2va1 h VAL 221 CO 0.08 0.15 0.15 0.44 0.02 0.00 0.00 177.57 178.41 2va1 h ASP 222 N 0.50 1.08 0.88 0.57 3.32 -0.95 -2.84 116.42 118.98 2va1 h ASP 222 Ca 0.14 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.87 2va1 h ASP 222 Cb 0.05 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2va1 h ASP 222 CO -0.02 1.04 -0.38 -0.37 -1.72 0.00 0.00 179.24 177.79 2va1 h VAL 223 N 1.07 0.87 0.00 -1.35 -1.51 -1.36 0.17 116.25 114.13 2va1 h VAL 223 Ca 0.22 -1.55 -0.03 0.00 -1.23 0.00 0.00 66.70 64.11 2va1 h VAL 223 Cb 0.39 1.95 -0.00 0.00 -2.13 0.00 0.00 31.29 31.50 2va1 h VAL 223 CO 0.01 0.37 -0.15 -0.07 -1.23 0.00 0.00 177.57 176.50 2va1 h LEU 224 N 0.00 0.00 -2.04 4.19 3.38 -1.46 -2.36 115.31 117.03 2va1 h LEU 224 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2va1 h LEU 224 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2va1 h LEU 224 CO 0.05 0.15 0.00 -0.62 0.09 0.00 0.00 178.44 178.10 2va1 n GLU 225 N -3.19 2.32 -3.49 1.13 1.02 -0.83 -4.96 120.64 112.64 2va1 n GLU 225 Ca 0.02 -1.97 -0.25 0.00 -0.02 0.00 0.00 57.16 54.94 2va1 n GLU 225 Cb 0.50 -1.45 -0.01 0.00 -0.02 0.00 0.00 31.44 30.46 2va1 n GLU 225 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2va1 n LYS 226 N 1.07 -3.46 0.05 3.49 -0.00 -0.69 -4.91 118.16 113.70 2va1 n LYS 226 Ca 0.18 0.47 -0.11 0.00 -0.00 0.00 0.00 58.31 58.85 2va1 n LYS 226 Cb 0.48 -5.19 -0.13 0.00 -0.00 0.00 0.00 35.03 30.19 2va1 n LYS 226 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2va1 h LYS 227 N -1.08 0.09 0.00 -1.58 3.64 -0.95 -3.48 116.57 113.21 2va1 h LYS 227 Ca -0.45 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 2va1 h LYS 227 Cb 1.30 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2va1 h LYS 227 CO 0.57 0.96 0.00 0.09 -2.27 0.00 0.00 179.45 178.80 2va1 n ASN 228 N -3.34 1.35 -4.69 4.20 3.02 -1.26 -5.04 115.26 109.50 2va1 n ASN 228 Ca -0.08 -0.36 -0.42 0.00 -0.03 0.00 0.00 54.58 53.68 2va1 n ASN 228 Cb 1.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 40.14 2va1 n ASN 228 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2va1 s LYS 229 N 0.32 4.40 0.14 3.52 1.02 -1.26 -5.03 119.74 122.85 2va1 s LYS 229 Ca 0.00 1.57 -0.16 0.00 0.02 0.00 0.00 55.97 57.40 2va1 s LYS 229 Cb 0.00 -3.52 0.03 0.00 -0.52 0.00 0.00 37.83 33.82 2va1 s LYS 229 CO 0.00 -0.35 0.41 1.52 -0.92 0.00 0.00 175.35 176.01 2va1 s TYR 230 N 1.92 -0.15 -0.07 3.18 1.13 -1.26 -4.56 117.35 117.54 2va1 s TYR 230 Ca 0.53 -0.18 0.04 0.00 -1.41 0.00 0.00 57.07 56.06 2va1 s TYR 230 Cb -0.23 0.25 -0.02 0.00 -1.10 0.00 0.00 41.96 40.87 2va1 s TYR 230 CO 0.22 -0.73 -0.20 0.99 -2.51 0.00 0.00 175.55 173.32 2va1 s THR 231 N -3.82 2.54 -0.16 -3.49 2.01 -0.16 -4.60 115.64 107.95 2va1 s THR 231 Ca 0.05 -0.89 -0.05 0.00 0.31 0.00 0.00 61.69 61.11 2va1 s THR 231 Cb 0.02 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 2va1 s THR 231 CO -0.10 0.57 -0.01 0.27 -0.69 0.00 0.00 174.62 174.66 2va1 s ILE 232 N -0.21 4.18 -0.45 1.82 -4.36 -1.14 -0.71 121.20 120.33 2va1 s ILE 232 Ca -0.01 -0.26 -0.09 0.00 -0.26 0.00 0.00 60.65 60.04 2va1 s ILE 232 Cb -0.13 -2.84 0.11 0.00 1.25 0.00 0.00 42.46 40.84 2va1 s ILE 232 CO 0.03 0.49 0.31 -0.69 0.24 0.00 0.00 174.94 175.32 2va1 s VAL 233 N 0.30 4.12 0.39 8.37 1.01 -0.46 -1.02 120.40 133.11 2va1 s VAL 233 Ca -0.01 -1.73 0.05 0.00 0.00 0.00 0.00 61.98 60.29 2va1 s VAL 233 Cb -0.13 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 2va1 s VAL 233 CO 0.02 -0.71 0.04 -0.94 0.00 0.00 0.00 175.10 173.51 2va1 s SER 234 N 2.47 3.23 0.00 3.32 1.04 -0.89 -1.90 113.70 120.97 2va1 s SER 234 Ca 0.05 -1.44 0.24 0.00 0.48 0.00 0.00 55.95 55.28 2va1 s SER 234 Cb -0.25 -0.08 1.41 0.00 0.10 0.00 0.00 66.02 67.20 2va1 s SER 234 CO -0.00 -0.61 1.77 1.17 0.98 0.00 0.00 173.24 176.55