#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2va1 n ARG 2 N 0.00 2.06 -2.21 0.03 1.74 -1.26 -5.08 116.66 111.94 2va1 n ARG 2 Ca 0.00 -4.50 -0.42 0.00 -0.77 0.00 0.00 57.85 52.16 2va1 n ARG 2 Cb 0.00 -2.32 -0.03 0.00 -1.02 0.00 0.00 32.46 29.09 2va1 n ARG 2 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2va1 s LYS 3 N -1.47 4.31 0.43 5.56 1.02 -1.26 -5.01 119.74 123.32 2va1 s LYS 3 Ca 0.26 2.01 -0.17 0.00 0.02 0.00 0.00 55.97 58.08 2va1 s LYS 3 Cb -0.05 -3.42 -0.09 0.00 -0.52 0.00 0.00 37.83 33.75 2va1 s LYS 3 CO -0.16 -0.49 0.89 -1.14 -0.92 0.00 0.00 175.35 173.53 2va1 s GLN 4 N 1.75 4.03 -0.17 1.68 2.00 -1.26 -4.65 119.66 123.04 2va1 s GLN 4 Ca 0.64 0.88 -0.07 0.00 -2.00 0.00 0.00 55.36 54.80 2va1 s GLN 4 Cb -0.34 -2.25 -0.04 0.00 0.80 0.00 0.00 33.01 31.18 2va1 s GLN 4 CO 0.28 -0.06 0.08 1.03 -0.50 0.00 0.00 175.29 176.12 2va1 s ARG 5 N -3.50 3.91 0.07 1.67 0.52 -1.26 -1.84 118.95 118.51 2va1 s ARG 5 Ca 0.58 -0.30 0.04 0.00 -0.52 0.00 0.00 55.73 55.53 2va1 s ARG 5 Cb -0.10 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 2va1 s ARG 5 CO 0.22 0.35 -0.13 0.96 0.02 0.00 0.00 175.30 176.73 2va1 s ILE 6 N 0.16 0.99 -0.14 1.52 -4.36 -0.60 -3.58 121.20 115.19 2va1 s ILE 6 Ca 0.06 -1.28 -0.02 0.00 -0.26 0.00 0.00 60.65 59.15 2va1 s ILE 6 Cb -0.12 -0.99 -0.02 0.00 1.25 0.00 0.00 42.46 42.58 2va1 s ILE 6 CO 0.00 -0.27 -0.09 -0.69 0.24 0.00 0.00 174.94 174.12 2va1 s VAL 7 N -1.36 3.37 -0.28 8.37 1.01 -0.95 -1.18 120.40 129.38 2va1 s VAL 7 Ca -0.03 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 2va1 s VAL 7 Cb -0.10 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.85 2va1 s VAL 7 CO 0.02 0.51 0.04 -0.63 0.00 0.00 0.00 175.10 175.04 2va1 s ILE 8 N 0.37 3.61 -0.34 2.22 1.01 0.45 -0.19 121.20 128.33 2va1 s ILE 8 Ca -0.08 -0.82 -0.26 0.00 0.00 0.00 0.00 60.65 59.49 2va1 s ILE 8 Cb -0.15 -2.86 0.01 0.00 0.01 0.00 0.00 42.46 39.46 2va1 s ILE 8 CO 0.05 0.10 0.90 -0.75 0.00 0.00 0.00 174.94 175.24 2va1 s LYS 9 N 1.44 3.93 -0.31 2.79 2.20 -0.65 -1.56 119.74 127.58 2va1 s LYS 9 Ca 0.01 0.68 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 2va1 s LYS 9 Cb -0.17 -3.76 0.07 0.00 -1.51 0.00 0.00 37.83 32.45 2va1 s LYS 9 CO 0.00 -0.84 0.01 0.42 -0.36 0.00 0.00 175.35 174.58 2va1 s ILE 10 N 3.32 2.73 0.81 5.43 1.01 0.02 -3.79 121.20 130.72 2va1 s ILE 10 Ca 0.37 -1.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.23 2va1 s ILE 10 Cb -0.13 -2.69 0.08 0.00 0.01 0.00 0.00 42.46 39.73 2va1 s ILE 10 CO 0.16 -0.24 1.09 -0.94 0.00 0.00 0.00 174.94 175.00 2va1 s SER 11 N 1.25 4.22 0.34 3.58 1.04 -1.26 -1.22 113.70 121.65 2va1 s SER 11 Ca -0.02 1.68 0.05 0.00 0.48 0.00 0.00 55.95 58.14 2va1 s SER 11 Cb -0.20 -2.39 0.68 0.00 0.10 0.00 0.00 66.02 64.22 2va1 s SER 11 CO -0.03 -2.19 1.91 1.23 0.98 0.00 0.00 173.24 175.14 2va1 h GLY 12 N -1.24 1.17 1.91 7.32 0.00 -1.92 -2.54 103.07 107.77 2va1 h GLY 12 Ca -0.46 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 46.54 2va1 h GLY 12 CO 0.53 0.21 0.04 0.00 0.00 0.00 0.00 176.54 177.32 2va1 h ALA 13 N 1.57 1.51 0.00 3.60 0.00 -1.92 -1.49 119.26 122.54 2va1 h ALA 13 Ca 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2va1 h ALA 13 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2va1 h ALA 13 CO -0.15 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.05 2va1 n LEU 15 N -2.56 1.54 -4.40 0.00 4.77 -0.56 -4.63 117.00 111.16 2va1 n LEU 15 Ca 0.01 -0.74 -0.32 0.00 -0.03 0.00 0.00 56.01 54.93 2va1 n LEU 15 Cb 0.24 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.19 2va1 n LEU 15 CO 0.22 0.30 -0.49 -0.75 -1.33 0.00 0.00 177.39 175.34 2va1 s LYS 16 N -1.97 2.58 -0.22 3.23 2.20 -1.15 0.34 119.74 124.76 2va1 s LYS 16 Ca 0.13 -0.77 -0.16 0.00 -0.36 0.00 0.00 55.97 54.81 2va1 s LYS 16 Cb 0.13 -2.32 -0.09 0.00 -1.51 0.00 0.00 37.83 34.04 2va1 s LYS 16 CO 0.43 0.51 -0.32 0.94 -0.36 0.00 0.00 175.35 176.55 2va1 n GLN 17 N 2.62 0.55 -4.14 4.03 -0.06 -1.26 -4.92 117.38 114.20 2va1 n GLN 17 Ca -0.17 0.27 -0.15 0.00 -2.00 0.00 0.00 57.00 54.95 2va1 n GLN 17 Cb 0.52 -1.48 -0.06 0.00 -4.06 0.00 0.00 30.24 25.16 2va1 n GLN 17 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2va1 s ASN 18 N -6.57 0.88 0.37 1.69 4.22 -1.26 -5.06 114.94 109.21 2va1 s ASN 18 Ca -0.32 -1.48 0.27 0.00 -2.14 0.00 0.00 52.86 49.19 2va1 s ASN 18 Cb 0.08 0.59 1.22 0.00 1.28 0.00 0.00 41.25 44.43 2va1 s ASN 18 CO 0.45 -1.16 1.81 0.44 -2.04 0.00 0.00 177.10 176.60 2va1 h ASP 19 N 2.21 0.00 0.65 3.54 3.32 -2.00 -3.03 116.42 121.10 2va1 h ASP 19 Ca -0.28 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.71 2va1 h ASP 19 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 2va1 h ASP 19 CO 0.40 0.00 -0.28 0.77 -1.72 0.00 0.00 179.24 178.41 2va1 h SER 20 N 0.00 0.00 -3.48 6.45 4.64 -2.02 -3.42 113.55 115.71 2va1 h SER 20 Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 2va1 h SER 20 Cb 0.29 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.04 2va1 h SER 20 CO 0.00 0.28 -0.70 -0.55 -0.87 0.00 0.00 176.83 174.99 2va1 s SER 21 N -6.40 0.10 0.39 4.97 0.15 -1.15 -5.04 113.70 106.73 2va1 s SER 21 Ca -0.01 0.10 0.08 0.00 0.70 0.00 0.00 55.95 56.83 2va1 s SER 21 Cb 0.12 -0.01 0.81 0.00 -1.71 0.00 0.00 66.02 65.22 2va1 s SER 21 CO 0.66 -0.14 1.96 0.16 1.20 0.00 0.00 173.24 177.07 2va1 h ILE 22 N 6.26 1.15 -3.33 6.45 3.07 -1.83 -3.41 117.51 125.87 2va1 h ILE 22 Ca -0.43 -0.58 -0.53 0.00 1.55 0.00 0.00 64.86 64.86 2va1 h ILE 22 Cb 1.12 0.98 -0.35 0.00 -0.27 0.00 0.00 36.82 38.31 2va1 h ILE 22 CO 0.45 0.20 -0.82 -0.63 -1.05 0.00 0.00 178.15 176.29 2va1 s ILE 23 N -4.97 1.19 -0.17 0.16 1.01 -1.26 -4.30 121.20 112.86 2va1 s ILE 23 Ca -0.06 -0.47 -0.13 0.00 0.00 0.00 0.00 60.65 59.98 2va1 s ILE 23 Cb 0.16 -1.12 -0.05 0.00 0.01 0.00 0.00 42.46 41.47 2va1 s ILE 23 CO 0.73 0.38 0.27 -0.62 0.00 0.00 0.00 174.94 175.70 2va1 s ASP 24 N 0.99 6.38 0.28 3.58 2.15 0.15 -4.96 116.67 125.24 2va1 s ASP 24 Ca -0.08 0.45 0.04 0.00 0.43 0.00 0.00 52.55 53.38 2va1 s ASP 24 Cb -0.15 -2.17 0.40 0.00 -0.30 0.00 0.00 42.92 40.70 2va1 s ASP 24 CO -0.00 0.10 1.69 2.19 -0.17 0.00 0.00 175.17 178.97 2va1 h PHE 25 N 6.75 0.43 -0.20 -5.34 -5.15 -1.99 -2.23 116.94 109.21 2va1 h PHE 25 Ca -0.41 -0.11 -0.04 0.00 -0.20 0.00 0.00 57.97 57.22 2va1 h PHE 25 Cb 1.16 -0.10 -0.01 0.00 0.22 0.00 0.00 35.95 37.23 2va1 h PHE 25 CO 0.60 0.69 -0.01 0.82 -2.00 0.00 0.00 178.31 178.41 2va1 h ILE 26 N 0.32 1.26 -0.39 0.88 2.04 -1.96 -1.01 117.51 118.66 2va1 h ILE 26 Ca 0.04 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 2va1 h ILE 26 Cb 0.79 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 2va1 h ILE 26 CO 0.06 0.28 0.10 0.11 0.00 0.00 0.00 178.15 178.71 2va1 h LYS 27 N 0.11 0.61 -0.16 2.37 1.57 -1.88 -0.87 116.57 118.32 2va1 h LYS 27 Ca 0.06 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.55 2va1 h LYS 27 Cb 0.42 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2va1 h LYS 27 CO 0.01 0.63 -0.50 0.97 -0.57 0.00 0.00 179.45 180.00 2va1 h ILE 28 N 0.48 1.33 -0.22 1.86 2.10 -1.43 -1.78 117.51 119.85 2va1 h ILE 28 Ca 0.12 -1.74 -0.16 0.00 1.08 0.00 0.00 64.86 64.16 2va1 h ILE 28 Cb 0.29 1.75 -0.01 0.00 -1.09 0.00 0.00 36.82 37.77 2va1 h ILE 28 CO -0.00 0.53 -0.53 0.78 -1.08 0.00 0.00 178.15 177.85 2va1 h ASN 29 N 0.34 0.70 -0.47 2.19 -0.26 -1.10 -0.90 115.58 116.08 2va1 h ASN 29 Ca 0.01 -0.37 -0.01 0.00 -0.56 0.00 0.00 56.30 55.38 2va1 h ASN 29 Cb 1.00 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 38.04 2va1 h ASN 29 CO 0.09 1.09 0.24 -0.78 -1.06 0.00 0.00 177.43 177.02 2va1 h ASP 30 N 0.49 0.59 -0.31 5.81 3.58 -1.06 -0.05 116.42 125.47 2va1 h ASP 30 Ca 0.01 -0.10 0.04 0.00 0.42 0.00 0.00 57.03 57.40 2va1 h ASP 30 Cb 1.09 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.95 2va1 h ASP 30 CO 0.10 0.53 0.11 -0.07 -2.88 0.00 0.00 179.24 177.03 2va1 h LEU 31 N 0.61 0.11 -0.83 2.28 -0.00 -1.22 -2.19 115.31 114.07 2va1 h LEU 31 Ca 0.16 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 2va1 h LEU 31 Cb 0.07 0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 40.72 2va1 h LEU 31 CO -0.02 0.10 0.52 0.00 -0.00 0.00 0.00 178.44 179.04 2va1 h ALA 32 N 1.20 1.05 -0.73 1.53 0.00 -0.88 -1.13 119.26 120.31 2va1 h ALA 32 Ca 0.14 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2va1 h ALA 32 Cb 0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2va1 h ALA 32 CO -0.15 0.49 0.48 0.93 0.00 0.00 0.00 179.25 181.00 2va1 h GLU 33 N 1.13 0.95 -0.34 0.00 5.08 -0.77 -0.04 114.58 120.58 2va1 h GLU 33 Ca 0.30 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 2va1 h GLU 33 Cb -0.08 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 2va1 h GLU 33 CO -0.06 0.63 0.01 1.96 -1.00 0.00 0.00 179.01 180.55 2va1 h GLN 34 N 0.98 0.60 -0.74 2.33 4.20 -1.00 -2.79 115.11 118.69 2va1 h GLN 34 Ca 0.27 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 2va1 h GLN 34 Cb -0.10 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 2va1 h GLN 34 CO -0.06 0.71 0.30 0.82 -0.67 0.00 0.00 178.83 179.93 2va1 h ILE 35 N 0.42 1.25 -0.35 2.54 2.04 -1.00 -0.90 117.51 121.50 2va1 h ILE 35 Ca 0.10 -0.77 0.08 0.00 1.00 0.00 0.00 64.86 65.27 2va1 h ILE 35 Cb 0.44 0.36 -0.08 0.00 -0.74 0.00 0.00 36.82 36.79 2va1 h ILE 35 CO 0.02 0.31 -0.26 -0.08 0.00 0.00 0.00 178.15 178.14 2va1 h GLU 36 N 1.07 -0.21 -0.35 2.37 4.22 -0.89 0.12 114.58 120.92 2va1 h GLU 36 Ca 0.25 0.01 -0.11 0.00 0.08 0.00 0.00 59.36 59.59 2va1 h GLU 36 Cb 0.19 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2va1 h GLU 36 CO -0.02 -0.14 -0.21 0.87 -2.18 0.00 0.00 179.01 177.33 2va1 h LYS 37 N -0.21 0.76 -0.46 1.92 1.57 -1.20 -3.17 116.57 115.77 2va1 h LYS 37 Ca 0.17 -0.35 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 2va1 h LYS 37 Cb 0.49 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2va1 h LYS 37 CO -0.48 0.97 0.05 0.82 -0.57 0.00 0.00 179.45 180.24 2va1 h ILE 38 N 0.53 1.22 0.00 1.86 2.04 -0.90 -2.90 117.51 119.38 2va1 h ILE 38 Ca 0.07 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.06 2va1 h ILE 38 Cb 0.77 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2va1 h ILE 38 CO 0.06 0.31 0.00 -1.54 0.00 0.00 0.00 178.15 176.98 2va1 n SER 39 N -4.25 0.27 0.14 1.72 3.41 0.39 -1.35 113.62 113.94 2va1 n SER 39 Ca 0.03 0.58 0.02 0.00 -0.26 0.00 0.00 58.87 59.24 2va1 n SER 39 Cb 0.26 -0.63 0.11 0.00 -0.26 0.00 0.00 64.21 63.68 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 1.57 -1.61 -3.35 116.57 117.51 2va1 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2va1 h LYS 40 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2va1 h LYS 40 CO 0.00 0.54 -1.07 1.63 -0.57 0.00 0.00 179.45 179.98 2va1 n LYS 41 N -3.36 1.62 -4.13 3.15 4.01 -0.65 -5.04 118.16 113.75 2va1 n LYS 41 Ca 0.01 -0.06 -0.14 0.00 -0.51 0.00 0.00 58.31 57.61 2va1 n LYS 41 Cb 0.69 -1.12 -0.11 0.00 -0.51 0.00 0.00 35.03 33.98 2va1 n LYS 41 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 2va1 s TYR 42 N -2.37 0.92 -0.37 2.13 1.51 -0.46 -4.14 117.35 114.57 2va1 s TYR 42 Ca -0.01 -0.60 -0.24 0.00 -1.01 0.00 0.00 57.07 55.21 2va1 s TYR 42 Cb 0.06 -0.52 0.01 0.00 -0.11 0.00 0.00 41.96 41.40 2va1 s TYR 42 CO 0.39 -0.04 0.84 0.42 -1.11 0.00 0.00 175.55 176.05 2va1 s ILE 43 N -2.03 4.67 -0.21 2.71 1.01 -0.77 -4.37 121.20 122.21 2va1 s ILE 43 Ca -0.00 0.99 -0.07 0.00 0.00 0.00 0.00 60.65 61.56 2va1 s ILE 43 Cb -0.05 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 2va1 s ILE 43 CO -0.00 -0.48 0.07 -0.69 0.00 0.00 0.00 174.94 173.84 2va1 s VAL 44 N 3.26 4.64 -0.16 2.92 1.01 -1.26 -1.55 120.40 129.25 2va1 s VAL 44 Ca 0.34 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 2va1 s VAL 44 Cb -0.13 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 2va1 s VAL 44 CO 0.18 0.40 -0.06 -0.44 0.00 0.00 0.00 175.10 175.18 2va1 s SER 45 N 0.89 4.49 -0.20 3.32 0.01 -0.33 -1.27 113.70 120.61 2va1 s SER 45 Ca 0.04 -0.23 -0.07 0.00 1.31 0.00 0.00 55.95 57.00 2va1 s SER 45 Cb -0.14 -1.73 -0.03 0.00 0.21 0.00 0.00 66.02 64.33 2va1 s SER 45 CO 0.03 0.13 0.05 -0.63 0.41 0.00 0.00 173.24 173.23 2va1 s ILE 46 N 0.58 4.48 -0.25 1.44 -1.09 0.18 -0.41 121.20 126.13 2va1 s ILE 46 Ca -0.04 -0.13 -0.03 0.00 -2.23 0.00 0.00 60.65 58.22 2va1 s ILE 46 Cb -0.15 -3.04 0.02 0.00 -1.58 0.00 0.00 42.46 37.71 2va1 s ILE 46 CO 0.03 0.42 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.43 2va1 s VAL 47 N 0.82 3.16 -0.02 2.92 1.01 -0.60 0.44 120.40 128.12 2va1 s VAL 47 Ca 0.03 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 2va1 s VAL 47 Cb -0.14 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2va1 s VAL 47 CO 0.02 0.23 0.16 -0.76 0.00 0.00 0.00 175.10 174.75 2va1 s LEU 48 N 1.39 4.29 0.58 3.92 1.43 -1.22 -0.80 118.68 128.27 2va1 s LEU 48 Ca 0.02 0.33 0.06 0.00 -1.03 0.00 0.00 54.13 53.51 2va1 s LEU 48 Cb -0.16 -2.50 0.08 0.00 0.03 0.00 0.00 46.19 43.64 2va1 s LEU 48 CO -0.03 0.28 0.80 -0.83 0.23 0.00 0.00 176.35 176.80 2va1 s GLY 49 N -1.80 1.78 -0.06 -3.19 0.00 -0.36 -4.87 107.32 98.82 2va1 s GLY 49 Ca 0.25 -1.90 0.09 0.00 0.00 0.00 0.00 44.72 43.16 2va1 s GLY 49 CO 0.16 -1.48 1.03 0.61 0.00 0.00 0.00 173.10 173.42 2va1 n GLY 50 N -2.31 2.68 0.32 0.20 0.00 -1.26 -3.94 105.19 100.88 2va1 n GLY 50 Ca 0.14 -0.55 0.17 0.00 0.00 0.00 0.00 46.02 45.77 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 0.25 103.07 103.43 2va1 h GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2va1 h GLY 51 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 176.54 179.99 2va1 h ASN 52 N 0.00 0.00 0.00 0.19 -1.07 -1.89 -3.34 115.58 109.47 2va1 h ASN 52 Ca 0.04 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.32 2va1 h ASN 52 Cb 0.29 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.52 2va1 h ASN 52 CO -0.00 0.00 -1.33 -0.38 0.07 0.00 0.00 177.43 175.79 2va1 n ILE 53 N -2.75 0.33 -4.11 6.14 5.41 -0.38 -4.77 119.36 119.23 2va1 n ILE 53 Ca 0.01 -0.11 -0.16 0.00 1.00 0.00 0.00 62.75 63.49 2va1 n ILE 53 Cb 0.28 -1.09 -0.15 0.00 -0.71 0.00 0.00 39.64 37.96 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 -2.11 0.47 0.18 1.39 -0.11 0.75 -5.12 118.94 114.38 2va1 s TRP 54 Ca -0.08 -0.09 -0.00 0.00 1.22 0.00 0.00 56.10 57.15 2va1 s TRP 54 Cb 0.03 -0.36 -0.04 0.00 -1.50 0.00 0.00 33.47 31.59 2va1 s TRP 54 CO 0.12 -0.05 0.08 -0.98 -4.62 0.00 0.00 176.95 171.50 2va1 s ARG 55 N 0.22 1.12 0.48 5.86 1.70 -1.26 -3.44 118.95 123.63 2va1 s ARG 55 Ca -0.02 -1.57 0.14 0.00 -0.47 0.00 0.00 55.73 53.81 2va1 s ARG 55 Cb -0.06 0.13 1.13 0.00 -0.57 0.00 0.00 34.95 35.58 2va1 s ARG 55 CO -0.00 -0.30 2.10 0.78 -1.08 0.00 0.00 175.30 176.80 2va1 h GLY 56 N 2.69 0.21 1.78 3.88 0.00 -1.98 -2.78 103.07 106.88 2va1 h GLY 56 Ca -0.36 -0.08 -0.11 0.00 0.00 0.00 0.00 47.33 46.78 2va1 h GLY 56 CO 0.57 0.07 -0.44 1.48 0.00 0.00 0.00 176.54 178.23 2va1 h SER 57 N 0.20 0.25 -0.26 0.19 4.64 -2.01 -2.79 113.55 113.77 2va1 h SER 57 Ca 0.08 -0.11 -0.13 0.00 -0.47 0.00 0.00 61.79 61.16 2va1 h SER 57 Cb 0.07 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2va1 h SER 57 CO -0.01 0.66 -0.28 0.40 -0.87 0.00 0.00 176.83 176.72 2va1 h ILE 58 N 0.20 1.28 -0.85 0.95 1.08 -1.92 -2.84 117.51 115.41 2va1 h ILE 58 Ca 0.01 -1.42 0.04 0.00 -0.39 0.00 0.00 64.86 63.11 2va1 h ILE 58 Cb 0.86 1.31 -0.05 0.00 -3.07 0.00 0.00 36.82 35.86 2va1 h ILE 58 CO 0.07 0.47 0.54 0.00 -0.69 0.00 0.00 178.15 178.54 2va1 h ALA 59 N 1.03 1.13 -0.28 1.87 0.00 -1.48 -1.26 119.26 120.28 2va1 h ALA 59 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2va1 h ALA 59 Cb 0.81 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2va1 h ALA 59 CO 0.07 0.35 0.10 0.87 0.00 0.00 0.00 179.25 180.65 2va1 h LYS 60 N 1.04 0.42 -0.81 0.00 1.79 -1.41 0.13 116.57 117.73 2va1 h LYS 60 Ca 0.35 -0.08 0.03 0.00 -2.18 0.00 0.00 60.65 58.77 2va1 h LYS 60 Cb 0.05 -0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 30.59 2va1 h LYS 60 CO -0.13 0.46 0.53 0.93 -1.08 0.00 0.00 179.45 180.16 2va1 h GLU 61 N 0.30 0.97 -0.21 3.15 5.08 -1.21 -1.89 114.58 120.77 2va1 h GLU 61 Ca 0.09 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2va1 h GLU 61 Cb 0.20 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2va1 h GLU 61 CO -0.01 0.64 0.00 1.28 -1.00 0.00 0.00 179.01 179.93 2va1 n LEU 62 N -4.45 1.55 -3.96 1.33 4.77 -0.51 -4.92 117.00 110.81 2va1 n LEU 62 Ca 0.10 -0.70 -0.29 0.00 -0.03 0.00 0.00 56.01 55.09 2va1 n LEU 62 Cb 0.11 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2va1 n LEU 62 CO 0.35 0.35 -0.23 -0.67 -1.33 0.00 0.00 177.39 175.86 2va1 n ASP 63 N 0.28 -1.30 -4.64 -1.43 4.64 -0.71 -4.94 116.55 108.46 2va1 n ASP 63 Ca 0.14 -1.07 -0.38 0.00 -1.38 0.00 0.00 54.79 52.10 2va1 n ASP 63 Cb 0.29 -2.81 -0.09 0.00 -1.04 0.00 0.00 41.12 37.46 2va1 n ASP 63 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 2va1 s MET 64 N -6.63 4.07 0.76 -0.67 -1.94 0.40 -5.04 119.30 110.26 2va1 s MET 64 Ca 0.12 -0.07 -0.14 0.00 -1.71 0.00 0.00 55.69 53.89 2va1 s MET 64 Cb -0.05 -3.58 0.06 0.00 2.01 0.00 0.00 34.83 33.26 2va1 s MET 64 CO 0.90 -0.08 1.20 0.34 -0.01 0.00 0.00 175.02 177.38 2va1 s ASP 65 N 1.29 3.98 0.27 3.03 2.15 -1.26 -4.71 116.67 121.42 2va1 s ASP 65 Ca 0.12 2.35 -0.04 0.00 0.43 0.00 0.00 52.55 55.41 2va1 s ASP 65 Cb -0.15 -2.59 0.34 0.00 -0.30 0.00 0.00 42.92 40.23 2va1 s ASP 65 CO 0.08 -2.41 1.93 -0.09 -0.17 0.00 0.00 175.17 174.51 2va1 h ARG 66 N -0.54 1.19 -0.59 4.34 9.65 -1.98 -1.27 114.38 125.17 2va1 h ARG 66 Ca -0.47 -0.09 0.07 0.00 -1.10 0.00 0.00 59.98 58.39 2va1 h ARG 66 Cb 1.29 -0.26 -0.06 0.00 -1.39 0.00 0.00 29.97 29.56 2va1 h ARG 66 CO 0.48 0.81 0.29 -0.91 2.80 0.00 0.00 179.97 183.44 2va1 h ASN 67 N 1.22 0.38 -0.10 -3.80 2.35 -1.99 -1.41 115.58 112.23 2va1 h ASN 67 Ca 0.32 0.05 -0.22 0.00 -0.55 0.00 0.00 56.30 55.90 2va1 h ASN 67 Cb -0.10 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.27 2va1 h ASN 67 CO -0.07 0.25 -0.78 0.25 -1.65 0.00 0.00 177.43 175.44 2va1 h LEU 68 N 0.53 0.86 -0.34 1.61 5.85 -1.84 -3.01 115.31 118.97 2va1 h LEU 68 Ca 0.28 -0.66 0.04 0.00 0.84 0.00 0.00 57.88 58.38 2va1 h LEU 68 Cb 0.24 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 2va1 h LEU 68 CO -0.21 1.39 0.11 0.00 -0.34 0.00 0.00 178.44 179.38 2va1 h ALA 69 N 0.49 0.38 0.00 1.25 0.00 -0.99 -1.59 119.26 118.80 2va1 h ALA 69 Ca -0.07 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2va1 h ALA 69 Cb 1.42 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2va1 h ALA 69 CO 0.16 -0.29 -0.27 -0.44 0.00 0.00 0.00 179.25 178.41 2va1 h ASP 70 N 0.24 0.00 -0.43 0.00 3.32 -1.34 -2.34 116.42 115.87 2va1 h ASP 70 Ca 0.15 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 2va1 h ASP 70 Cb 0.14 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2va1 h ASP 70 CO -0.17 0.27 -0.13 0.78 -1.72 0.00 0.00 179.24 178.27 2va1 h ASN 71 N 0.00 0.90 -0.39 6.45 -0.26 -1.19 -1.80 115.58 119.29 2va1 h ASN 71 Ca -0.00 -0.29 -0.00 0.00 -0.56 0.00 0.00 56.30 55.44 2va1 h ASN 71 Cb 0.56 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.55 2va1 h ASN 71 CO 0.03 1.04 0.24 0.24 -1.06 0.00 0.00 177.43 177.92 2va1 h MET 72 N 0.81 0.53 -0.82 0.81 2.86 -0.89 -2.40 114.93 115.83 2va1 h MET 72 Ca 0.13 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 2va1 h MET 72 Cb 0.66 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.16 2va1 h MET 72 CO 0.05 0.39 0.54 0.78 1.06 0.00 0.00 176.91 179.73 2va1 h GLY 73 N 0.51 1.15 1.15 8.32 0.00 -1.26 -1.42 103.07 111.53 2va1 h GLY 73 Ca 0.14 -0.39 -0.13 0.00 0.00 0.00 0.00 47.33 46.95 2va1 h GLY 73 CO -0.03 0.32 -0.22 -0.33 0.00 0.00 0.00 176.54 176.28 2va1 h MET 74 N 0.97 0.96 -0.49 4.80 2.07 -1.02 -2.23 114.93 119.99 2va1 h MET 74 Ca 0.33 -0.41 -0.08 0.00 -2.07 0.00 0.00 59.70 57.47 2va1 h MET 74 Cb 0.09 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 29.77 2va1 h MET 74 CO -0.10 1.08 -0.03 1.98 1.07 0.00 0.00 176.91 180.90 2va1 h MET 75 N 0.83 0.85 -0.98 1.72 -1.53 -1.04 -2.65 114.93 112.13 2va1 h MET 75 Ca 0.11 -0.25 0.02 0.00 -3.44 0.00 0.00 59.70 56.13 2va1 h MET 75 Cb 0.79 -0.09 -0.05 0.00 -0.55 0.00 0.00 31.60 31.71 2va1 h MET 75 CO 0.07 0.87 0.64 0.00 0.14 0.00 0.00 176.91 178.63 2va1 h ALA 76 N 1.18 1.25 -0.07 0.39 0.00 -1.06 -2.47 119.26 118.49 2va1 h ALA 76 Ca 0.14 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2va1 h ALA 76 Cb 0.52 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2va1 h ALA 76 CO 0.03 0.60 -0.41 1.79 0.00 0.00 0.00 179.25 181.26 2va1 h THR 77 N 1.29 1.30 -0.47 0.00 1.35 -1.09 -2.30 112.91 113.00 2va1 h THR 77 Ca 0.37 -1.47 -0.03 0.00 -0.55 0.00 0.00 66.41 64.72 2va1 h THR 77 Cb -0.10 1.71 -0.02 0.00 -1.73 0.00 0.00 68.15 68.00 2va1 h THR 77 CO -0.09 0.43 0.17 0.40 -0.25 0.00 0.00 175.52 176.18 2va1 h ILE 78 N 0.13 1.22 0.05 6.82 2.04 -1.12 0.25 117.51 126.90 2va1 h ILE 78 Ca 0.01 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.18 2va1 h ILE 78 Cb 0.78 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2va1 h ILE 78 CO 0.06 0.26 -0.09 0.40 0.00 0.00 0.00 178.15 178.78 2va1 h ILE 79 N 0.63 0.79 -0.70 -0.67 2.04 -1.25 -0.89 117.51 117.45 2va1 h ILE 79 Ca 0.15 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.07 2va1 h ILE 79 Cb 0.23 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 2va1 h ILE 79 CO -0.01 0.00 0.41 0.78 0.00 0.00 0.00 178.15 179.33 2va1 h ASN 80 N -0.18 0.63 -0.79 1.72 2.35 -1.29 -2.18 115.58 115.84 2va1 h ASN 80 Ca 0.02 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2va1 h ASN 80 Cb 0.19 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 2va1 h ASN 80 CO -0.05 0.41 0.51 1.23 -1.65 0.00 0.00 177.43 177.88 2va1 h GLY 81 N 0.77 1.13 1.56 2.83 0.00 -0.13 -0.83 103.07 108.40 2va1 h GLY 81 Ca 0.31 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 47.06 2va1 h GLY 81 CO -0.16 0.43 -0.48 1.41 0.00 0.00 0.00 176.54 177.73 2va1 h LEU 82 N 1.08 0.51 -0.41 3.11 3.38 -0.96 -1.59 115.31 120.42 2va1 h LEU 82 Ca 0.29 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2va1 h LEU 82 Cb -0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2va1 h LEU 82 CO -0.06 0.91 -0.19 0.00 0.09 0.00 0.00 178.44 179.19 2va1 h ALA 83 N 1.10 0.58 -0.51 1.53 0.00 -1.01 -2.00 119.26 118.94 2va1 h ALA 83 Ca 0.02 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 2va1 h ALA 83 Cb 0.99 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2va1 h ALA 83 CO 0.09 0.53 -0.16 1.25 0.00 0.00 0.00 179.25 180.96 2va1 h LEU 84 N 0.67 1.03 -0.65 0.00 7.12 -1.10 -2.11 115.31 120.27 2va1 h LEU 84 Ca 0.09 -0.37 0.05 0.00 0.13 0.00 0.00 57.88 57.78 2va1 h LEU 84 Cb 0.75 -0.28 -0.05 0.00 -0.53 0.00 0.00 40.66 40.55 2va1 h LEU 84 CO 0.06 1.17 0.38 -0.08 -0.13 0.00 0.00 178.44 179.84 2va1 h GLU 85 N 0.88 0.69 -0.39 1.25 4.81 -1.24 -0.58 114.58 120.01 2va1 h GLU 85 Ca 0.13 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2va1 h GLU 85 Cb 0.74 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 2va1 h GLU 85 CO 0.06 0.46 0.25 -0.97 -0.73 0.00 0.00 179.01 178.07 2va1 h ASN 86 N 0.71 0.41 -0.96 1.04 -1.24 -1.19 0.83 115.58 115.20 2va1 h ASN 86 Ca 0.28 -0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.30 2va1 h ASN 86 Cb 0.12 -0.09 -0.05 0.00 0.73 0.00 0.00 38.32 39.03 2va1 h ASN 86 CO -0.15 0.30 0.63 0.00 -1.29 0.00 0.00 177.43 176.92 2va1 h ALA 87 N 1.16 1.22 -0.05 1.57 0.00 -0.94 -2.43 119.26 119.79 2va1 h ALA 87 Ca 0.15 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 2va1 h ALA 87 Cb -0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 2va1 h ALA 87 CO -0.05 0.59 -0.75 -0.07 0.00 0.00 0.00 179.25 178.97 2va1 h LEU 88 N 1.28 0.38 -1.02 0.00 3.38 -0.83 -3.21 115.31 115.29 2va1 h LEU 88 Ca 0.36 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2va1 h LEU 88 Cb -0.13 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2va1 h LEU 88 CO -0.08 1.00 0.35 0.78 0.09 0.00 0.00 178.44 180.58 2va1 h ASN 89 N 0.21 0.95 0.32 -0.43 2.35 -0.57 -1.80 115.58 116.61 2va1 h ASN 89 Ca -0.03 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2va1 h ASN 89 Cb 1.33 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2va1 h ASN 89 CO 0.12 0.80 0.00 0.45 -1.65 0.00 0.00 177.43 177.15 2va1 h HIS 90 N 1.04 0.00 -0.64 1.19 3.86 -1.45 -1.10 115.15 118.05 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 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 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 -2.93 4.13 -2.32 2.43 4.77 -0.77 -4.96 117.00 117.34 2va1 n LEU 91 Ca -0.02 -2.19 -0.20 0.00 -0.03 0.00 0.00 56.01 53.57 2va1 n LEU 91 Cb 0.14 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 2va1 n LEU 91 CO 0.21 0.89 -0.25 0.59 -1.33 0.00 0.00 177.39 177.49 2va1 n ASN 92 N 1.26 -5.75 -4.69 -1.43 3.02 -0.42 -4.98 115.26 102.27 2va1 n ASN 92 Ca 0.23 0.05 -0.41 0.00 -0.03 0.00 0.00 54.58 54.43 2va1 n ASN 92 Cb 0.70 -4.82 -0.04 0.00 -0.61 0.00 0.00 39.78 35.01 2va1 n ASN 92 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2va1 s VAL 93 N -2.99 4.97 -0.11 2.41 1.01 -0.75 -5.01 120.40 119.93 2va1 s VAL 93 Ca 0.00 1.53 -0.29 0.00 0.00 0.00 0.00 61.98 63.22 2va1 s VAL 93 Cb 0.00 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 2va1 s VAL 93 CO 0.00 0.14 1.67 0.21 0.00 0.00 0.00 175.10 177.12 2va1 s ASN 94 N 1.00 6.53 0.00 3.32 3.84 -1.26 -4.38 114.94 123.99 2va1 s ASN 94 Ca 0.38 2.04 -0.08 0.00 0.21 0.00 0.00 52.86 55.41 2va1 s ASN 94 Cb -0.17 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.00 2va1 s ASN 94 CO 0.16 -1.07 0.15 0.28 -2.79 0.00 0.00 177.10 173.83 2va1 s THR 95 N 4.56 0.08 -0.00 -5.21 -1.32 -1.26 -1.03 115.64 111.45 2va1 s THR 95 Ca 0.74 -0.66 0.00 0.00 -1.21 0.00 0.00 61.69 60.56 2va1 s THR 95 Cb -0.31 -0.43 0.00 0.00 -1.51 0.00 0.00 72.50 70.25 2va1 s THR 95 CO 0.30 -0.36 0.00 -0.51 -2.21 0.00 0.00 174.62 171.83 2va1 s ILE 96 N -1.33 0.01 -0.29 5.08 2.07 -0.25 -4.90 121.20 121.58 2va1 s ILE 96 Ca -0.14 0.01 -0.16 0.00 -1.41 0.00 0.00 60.65 58.95 2va1 s ILE 96 Cb -0.07 -0.03 -0.03 0.00 0.13 0.00 0.00 42.46 42.46 2va1 s ILE 96 CO 0.02 0.01 0.43 -0.69 -1.91 0.00 0.00 174.94 172.80 2va1 s VAL 97 N 0.09 5.12 -0.23 4.00 1.01 -1.26 -0.58 120.40 128.55 2va1 s VAL 97 Ca -0.01 0.53 -0.03 0.00 0.00 0.00 0.00 61.98 62.48 2va1 s VAL 97 Cb -0.01 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.58 2va1 s VAL 97 CO -0.00 0.04 -0.06 -0.76 0.00 0.00 0.00 175.10 174.32 2va1 s LEU 98 N 2.18 2.95 -0.09 3.92 1.43 0.14 -2.44 118.68 126.77 2va1 s LEU 98 Ca 0.17 -0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 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 0.11 -0.06 0.01 -0.55 0.23 0.00 0.00 176.35 176.08 2va1 s SER 99 N 1.40 5.32 0.47 2.29 0.15 0.63 -1.44 113.70 122.52 2va1 s SER 99 Ca 0.04 0.17 0.27 0.00 0.70 0.00 0.00 55.95 57.12 2va1 s SER 99 Cb -0.15 -1.51 0.90 0.00 -1.71 0.00 0.00 66.02 63.54 2va1 s SER 99 CO -0.05 0.38 1.81 0.00 1.20 0.00 0.00 173.24 176.58 2va1 h ALA 100 N 5.12 0.98 -3.40 5.45 0.00 -1.48 0.22 119.26 126.15 2va1 h ALA 100 Ca -0.51 -0.11 -0.65 0.00 0.00 0.00 0.00 54.91 53.63 2va1 h ALA 100 Cb 1.19 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.73 2va1 h ALA 100 CO 0.55 0.15 -0.72 0.96 0.00 0.00 0.00 179.25 180.19 2va1 s ILE 101 N -3.51 3.44 0.13 0.00 -4.36 -1.26 -4.59 121.20 111.05 2va1 s ILE 101 Ca 0.02 -0.53 -0.31 0.00 -0.26 0.00 0.00 60.65 59.57 2va1 s ILE 101 Cb 0.09 -2.46 -0.09 0.00 1.25 0.00 0.00 42.46 41.24 2va1 s ILE 101 CO 0.62 0.53 1.56 -0.75 0.24 0.00 0.00 174.94 177.13 2va1 s LYS 102 N 0.15 4.23 -0.49 0.37 2.20 -1.26 -4.89 119.74 120.05 2va1 s LYS 102 Ca -0.04 2.30 0.06 0.00 -0.36 0.00 0.00 55.97 57.92 2va1 s LYS 102 Cb -0.14 -3.29 0.22 0.00 -1.51 0.00 0.00 37.83 33.11 2va1 s LYS 102 CO 0.04 -0.61 0.86 0.00 -0.36 0.00 0.00 175.35 175.27 2va1 h ASP 104 N 4.30 0.37 0.74 0.00 3.45 -1.92 -0.58 116.42 122.78 2va1 h ASP 104 Ca -0.08 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.40 2va1 h ASP 104 Cb 1.07 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.78 2va1 h ASP 104 CO 0.19 0.21 0.00 0.29 -1.57 0.00 0.00 179.24 178.36 2va1 n LYS 105 N -4.47 0.18 0.00 3.56 5.02 -1.26 -4.09 118.16 117.09 2va1 n LYS 105 Ca 0.12 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 2va1 n LYS 105 Cb 0.46 -1.83 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 2va1 n LYS 105 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2va1 n LEU 106 N -2.16 2.15 -4.02 -0.35 4.32 -0.35 -5.12 117.00 111.46 2va1 n LEU 106 Ca 0.02 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.94 2va1 n LEU 106 Cb 0.23 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.94 2va1 n LEU 106 CO 0.20 0.36 -0.28 0.68 -1.22 0.00 0.00 177.39 177.12 2va1 s VAL 107 N -1.90 0.20 0.44 4.08 -7.23 -0.46 -5.06 120.40 110.46 2va1 s VAL 107 Ca 0.00 -1.63 -0.12 0.00 -1.81 0.00 0.00 61.98 58.42 2va1 s VAL 107 Cb 0.00 -1.47 -0.07 0.00 0.56 0.00 0.00 36.38 35.40 2va1 s VAL 107 CO 0.00 -0.89 0.83 -1.00 -0.31 0.00 0.00 175.10 173.73 2va1 s HIS 108 N -3.90 3.47 0.02 2.82 3.76 -1.02 -4.04 115.29 116.39 2va1 s HIS 108 Ca 0.07 1.16 -0.20 0.00 -0.15 0.00 0.00 55.06 55.94 2va1 s HIS 108 Cb 0.07 -2.54 -0.06 0.00 1.11 0.00 0.00 32.58 31.16 2va1 s HIS 108 CO -0.10 -0.19 0.58 -2.00 -0.85 0.00 0.00 174.74 172.18 2va1 s GLU 109 N -3.93 4.27 0.29 1.40 2.12 -1.26 -0.27 118.70 121.32 2va1 s GLU 109 Ca 0.53 0.73 -0.29 0.00 0.36 0.00 0.00 54.97 56.30 2va1 s GLU 109 Cb -0.10 -3.30 -0.10 0.00 0.26 0.00 0.00 34.13 30.89 2va1 s GLU 109 CO 0.32 0.47 1.10 -1.54 -0.54 0.00 0.00 175.26 175.07 2va1 s SER 110 N -0.52 7.23 0.19 -1.70 1.04 0.77 -4.65 113.70 116.06 2va1 s SER 110 Ca 0.30 2.27 -0.23 0.00 0.48 0.00 0.00 55.95 58.77 2va1 s SER 110 Cb -0.19 -2.63 0.05 0.00 0.10 0.00 0.00 66.02 63.36 2va1 s SER 110 CO 0.18 -0.17 0.75 -0.94 0.98 0.00 0.00 173.24 174.04 2va1 s SER 111 N -0.90 -0.34 0.20 7.02 1.04 -1.26 -4.89 113.70 114.56 2va1 s SER 111 Ca 0.45 -0.34 -0.11 0.00 0.48 0.00 0.00 55.95 56.44 2va1 s SER 111 Cb -0.32 0.61 0.24 0.00 0.10 0.00 0.00 66.02 66.66 2va1 s SER 111 CO 0.41 -1.08 1.73 0.00 0.98 0.00 0.00 173.24 175.28 2va1 h ALA 112 N 2.00 0.69 -0.29 5.32 0.00 -2.00 -1.41 119.26 123.57 2va1 h ALA 112 Ca -0.24 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2va1 h ALA 112 Cb 1.26 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2va1 h ALA 112 CO 0.28 -0.24 0.12 -0.91 0.00 0.00 0.00 179.25 178.50 2va1 h ASN 113 N 0.33 0.40 -0.21 0.00 2.35 -1.99 -2.21 115.58 114.26 2va1 h ASN 113 Ca 0.28 -0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 55.76 2va1 h ASN 113 Cb 0.37 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2va1 h ASN 113 CO -0.32 0.45 -0.26 0.78 -1.65 0.00 0.00 177.43 176.43 2va1 h ASN 114 N 0.33 0.70 0.04 5.81 2.35 -1.82 0.09 115.58 123.06 2va1 h ASN 114 Ca 0.10 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2va1 h ASN 114 Cb 0.17 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2va1 h ASN 114 CO -0.01 0.93 -0.02 0.40 -1.65 0.00 0.00 177.43 177.08 2va1 h ILE 115 N 0.59 1.14 -0.54 2.81 2.04 -1.28 -0.52 117.51 121.75 2va1 h ILE 115 Ca 0.08 -0.58 0.08 0.00 1.00 0.00 0.00 64.86 65.44 2va1 h ILE 115 Cb 0.75 1.53 -0.06 0.00 -0.74 0.00 0.00 36.82 38.30 2va1 h ILE 115 CO 0.06 0.15 0.20 0.50 0.00 0.00 0.00 178.15 179.06 2va1 h LYS 116 N -0.30 0.38 -0.86 2.37 3.64 -1.25 0.25 116.57 120.80 2va1 h LYS 116 Ca -0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2va1 h LYS 116 Cb 0.28 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 2va1 h LYS 116 CO 0.01 0.25 0.43 -0.22 -2.27 0.00 0.00 179.45 177.65 2va1 h LYS 117 N 0.39 1.22 -0.15 1.90 3.64 -0.92 -1.83 116.57 120.83 2va1 h LYS 117 Ca 0.26 -0.17 -0.15 0.00 -1.27 0.00 0.00 60.65 59.33 2va1 h LYS 117 Cb 0.29 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2va1 h LYS 117 CO -0.26 0.92 -0.53 0.00 -2.27 0.00 0.00 179.45 177.31 2va1 h ALA 118 N 1.25 0.80 -0.29 5.00 0.00 -0.33 -2.53 119.26 123.17 2va1 h ALA 118 Ca 0.30 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2va1 h ALA 118 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2va1 h ALA 118 CO -0.04 0.68 -0.02 0.82 0.00 0.00 0.00 179.25 180.70 2va1 h ILE 119 N 0.34 1.26 -0.64 0.00 2.04 -0.77 -0.68 117.51 119.07 2va1 h ILE 119 Ca 0.01 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 64.93 2va1 h ILE 119 Cb 1.04 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 38.40 2va1 h ILE 119 CO 0.09 0.31 0.38 -0.33 0.00 0.00 0.00 178.15 178.61 2va1 h GLU 120 N 0.31 0.72 0.00 2.37 5.08 -1.30 -0.57 114.58 121.18 2va1 h GLU 120 Ca 0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2va1 h GLU 120 Cb 0.46 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2va1 h GLU 120 CO 0.02 0.47 0.00 1.63 -1.00 0.00 0.00 179.01 180.13 2va1 n LYS 121 N -4.74 0.11 -3.79 2.33 5.02 -0.96 -4.91 118.16 111.23 2va1 n LYS 121 Ca 0.07 0.13 -0.26 0.00 -2.02 0.00 0.00 58.31 56.23 2va1 n LYS 121 Cb 0.11 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.42 -5.76 -2.69 1.97 1.02 -0.22 -4.99 120.64 108.55 2va1 n GLU 122 Ca 0.07 0.65 -0.32 0.00 -0.02 0.00 0.00 57.16 57.53 2va1 n GLU 122 Cb 0.20 -5.47 -0.05 0.00 -0.02 0.00 0.00 31.44 26.10 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 -6.34 4.02 -0.09 3.49 -0.21 -0.35 -4.90 119.66 115.29 2va1 s GLN 123 Ca 0.43 0.90 -0.30 0.00 0.02 0.00 0.00 55.36 56.42 2va1 s GLN 123 Cb -0.21 -2.22 -0.03 0.00 1.00 0.00 0.00 33.01 31.55 2va1 s GLN 123 CO 0.81 -0.11 1.22 0.08 -2.12 0.00 0.00 175.29 175.17 2va1 s VAL 124 N -2.37 4.26 -0.32 1.09 1.01 -0.20 -4.60 120.40 119.28 2va1 s VAL 124 Ca 0.58 1.57 -0.16 0.00 0.00 0.00 0.00 61.98 63.98 2va1 s VAL 124 Cb -0.10 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 2va1 s VAL 124 CO 0.24 -0.04 0.39 -0.04 0.00 0.00 0.00 175.10 175.65 2va1 s MET 125 N 2.61 3.72 -0.47 2.72 1.00 -0.40 -1.09 119.30 127.39 2va1 s MET 125 Ca 0.55 -0.22 -0.15 0.00 0.00 0.00 0.00 55.69 55.87 2va1 s MET 125 Cb -0.24 -3.76 0.07 0.00 0.00 0.00 0.00 34.83 30.91 2va1 s MET 125 CO 0.20 -0.47 0.39 0.42 0.00 0.00 0.00 175.02 175.56 2va1 s ILE 126 N 2.11 5.22 0.00 2.53 1.01 0.25 0.51 121.20 132.83 2va1 s ILE 126 Ca 0.14 -1.04 -0.23 0.00 0.00 0.00 0.00 60.65 59.52 2va1 s ILE 126 Cb -0.16 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 2va1 s ILE 126 CO 0.11 -0.56 0.68 -0.36 0.00 0.00 0.00 174.94 174.81 2va1 s PHE 127 N 1.64 3.68 0.02 3.97 0.40 0.17 -0.68 117.98 127.18 2va1 s PHE 127 Ca 0.04 1.31 -0.01 0.00 -0.60 0.00 0.00 56.93 57.67 2va1 s PHE 127 Cb -0.24 -2.73 -0.02 0.00 0.51 0.00 0.00 43.02 40.54 2va1 s PHE 127 CO 0.07 0.27 -0.02 0.08 0.70 0.00 0.00 175.22 176.32 2va1 s VAL 128 N 0.06 0.12 -1.57 -0.44 1.01 -0.52 -3.41 120.40 115.65 2va1 s VAL 128 Ca 0.35 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.30 2va1 s VAL 128 Cb -0.19 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.73 2va1 s VAL 128 CO 0.19 -0.57 0.00 0.00 0.00 0.00 0.00 175.10 174.73 2va1 n ALA 129 N 1.36 -0.49 -0.82 5.51 0.00 -1.26 -1.46 120.51 123.35 2va1 n ALA 129 Ca -0.22 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2va1 n ALA 129 Cb 0.56 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 -0.98 3.89 0.43 0.00 0.00 -1.26 -1.55 105.19 105.71 2va1 n GLY 130 Ca -0.21 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.96 2.61 -2.24 -1.26 -4.50 114.28 107.93 2va1 n THR 131 Ca 0.00 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2va1 n THR 131 Cb 0.00 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 1.09 0.69 3.28 3.38 0.00 -0.60 -4.89 105.19 108.13 2va1 n GLY 132 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.69 1.94 0.90 1.61 0.40 -1.26 -5.00 117.98 113.89 2va1 s PHE 133 Ca 0.00 -0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 55.83 2va1 s PHE 133 Cb 0.00 -1.16 0.13 0.00 0.51 0.00 0.00 43.02 42.50 2va1 s PHE 133 CO 0.00 0.10 1.10 -1.25 0.70 0.00 0.00 175.22 175.88 2va1 s PRO 134 N -1.21 1.23 -0.62 0.24 0.04 -1.26 -4.18 135.00 129.24 2va1 s PRO 134 Ca 0.09 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.73 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 -2.20 0.00 0.66 0.04 0.00 0.00 177.00 175.51 2va1 n TYR 135 N -3.82 -0.05 -4.85 0.56 4.02 -1.26 -5.04 117.16 106.72 2va1 n TYR 135 Ca 0.06 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.65 2va1 n TYR 135 Cb 0.57 -1.44 -0.14 0.00 -0.02 0.00 0.00 39.34 38.31 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 -2.24 2.42 0.36 -0.72 0.40 -1.26 -5.14 117.98 111.81 2va1 s PHE 136 Ca 0.00 -0.35 0.06 0.00 -0.60 0.00 0.00 56.93 56.04 2va1 s PHE 136 Cb 0.00 -1.44 -0.00 0.00 0.51 0.00 0.00 43.02 42.09 2va1 s PHE 136 CO 0.00 0.16 0.51 0.95 0.70 0.00 0.00 175.22 177.54 2va1 s THR 137 N -0.83 3.89 0.33 0.64 -4.23 -1.26 -5.00 115.64 109.19 2va1 s THR 137 Ca 0.13 -0.93 0.06 0.00 -1.18 0.00 0.00 61.69 59.76 2va1 s THR 137 Cb -0.10 -3.35 0.31 0.00 1.34 0.00 0.00 72.50 70.69 2va1 s THR 137 CO 0.03 -0.15 1.87 0.74 -0.54 0.00 0.00 174.62 176.57 2va1 h THR 138 N 0.78 0.90 -0.14 3.99 2.02 -1.99 -2.23 112.91 116.23 2va1 h THR 138 Ca -0.45 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 2va1 h THR 138 Cb 1.26 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2va1 h THR 138 CO 0.52 0.15 0.08 0.44 0.37 0.00 0.00 175.52 177.08 2va1 h ASP 139 N 0.81 0.18 -0.75 4.18 3.32 -1.99 -0.97 116.42 121.20 2va1 h ASP 139 Ca 0.44 -0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.49 2va1 h ASP 139 Cb 0.57 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.01 2va1 h ASP 139 CO -0.21 0.20 0.43 0.28 -1.72 0.00 0.00 179.24 178.22 2va1 h SER 140 N 0.14 0.63 -0.49 6.45 0.02 -1.82 -0.83 113.55 117.65 2va1 h SER 140 Ca 0.05 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 2va1 h SER 140 Cb 0.07 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 2va1 h SER 140 CO -0.01 0.39 -0.04 0.00 -1.14 0.00 0.00 176.83 176.03 2va1 h ALA 142 N 1.09 1.17 -0.17 0.00 0.00 -0.51 0.91 119.26 121.76 2va1 h ALA 142 Ca 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2va1 h ALA 142 Cb 0.56 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2va1 h ALA 142 CO 0.03 0.64 0.06 0.00 0.00 0.00 0.00 179.25 179.99 2va1 h ALA 143 N 1.28 0.22 -0.52 0.00 0.00 -0.88 -0.66 119.26 118.70 2va1 h ALA 143 Ca 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2va1 h ALA 143 Cb 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2va1 h ALA 143 CO -0.04 -0.19 0.25 0.82 0.00 0.00 0.00 179.25 180.09 2va1 h ILE 144 N 0.11 1.20 -0.22 0.00 1.08 -0.96 -1.53 117.51 117.18 2va1 h ILE 144 Ca 0.05 -0.56 -0.10 0.00 -0.39 0.00 0.00 64.86 63.87 2va1 h ILE 144 Cb 0.19 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.53 2va1 h ILE 144 CO -0.00 0.22 -0.29 0.03 -0.69 0.00 0.00 178.15 177.42 2va1 h ARG 145 N 0.69 0.43 -0.14 2.37 2.47 -0.79 -0.23 114.38 119.18 2va1 h ARG 145 Ca 0.18 -0.17 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 2va1 h ARG 145 Cb 0.12 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 2va1 h ARG 145 CO -0.02 0.68 0.06 0.00 0.56 0.00 0.00 179.97 181.24 2va1 h ALA 146 N 1.32 0.18 -0.55 0.04 0.00 -0.81 -0.36 119.26 119.09 2va1 h ALA 146 Ca 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2va1 h ALA 146 Cb 0.70 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2va1 h ALA 146 CO 0.05 -0.23 0.18 0.00 0.00 0.00 0.00 179.25 179.25 2va1 h ALA 147 N 0.90 0.72 -0.74 0.00 0.00 -1.16 0.43 119.26 119.40 2va1 h ALA 147 Ca 0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2va1 h ALA 147 Cb 0.17 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2va1 h ALA 147 CO -0.00 0.37 0.23 1.49 0.00 0.00 0.00 179.25 181.33 2va1 h GLU 148 N 0.76 1.16 -0.02 0.00 4.81 -0.93 -2.51 114.58 117.86 2va1 h GLU 148 Ca 0.18 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2va1 h GLU 148 Cb 0.27 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2va1 h GLU 148 CO -0.01 0.99 0.00 0.25 -0.73 0.00 0.00 179.01 179.51 2va1 n THR 149 N -4.25 0.00 -3.59 0.32 -2.24 -0.15 -4.94 114.28 99.43 2va1 n THR 149 Ca 0.06 -0.25 -0.25 0.00 -2.27 0.00 0.00 64.05 61.35 2va1 n THR 149 Cb 0.23 0.48 0.07 0.00 -2.10 0.00 0.00 70.33 69.02 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 0.16 -7.52 -3.02 -0.78 1.02 -0.36 -4.98 120.64 105.16 2va1 n GLU 150 Ca 0.19 0.81 -0.40 0.00 -0.02 0.00 0.00 57.16 57.74 2va1 n GLU 150 Cb 0.35 -5.84 -0.05 0.00 -0.02 0.00 0.00 31.44 25.89 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 -3.27 7.04 0.02 1.62 0.01 0.14 -4.75 113.70 114.51 2va1 s SER 151 Ca 0.58 1.25 0.26 0.00 1.31 0.00 0.00 55.95 59.34 2va1 s SER 151 Cb -0.26 -2.43 0.62 0.00 0.21 0.00 0.00 66.02 64.16 2va1 s SER 151 CO 0.71 -0.11 1.50 -1.54 0.41 0.00 0.00 173.24 174.22 2va1 n SER 152 N 3.65 0.45 -3.88 2.44 3.41 -1.23 -4.46 113.62 113.99 2va1 n SER 152 Ca -0.01 -0.04 -0.11 0.00 -0.26 0.00 0.00 58.87 58.45 2va1 n SER 152 Cb 0.51 0.08 -0.13 0.00 -0.26 0.00 0.00 64.21 64.41 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 -3.03 0.02 -0.20 -1.33 2.07 -1.26 -0.59 121.20 116.88 2va1 s ILE 153 Ca 0.11 -0.19 -0.03 0.00 -1.41 0.00 0.00 60.65 59.13 2va1 s ILE 153 Cb 0.17 -0.09 -0.01 0.00 0.13 0.00 0.00 42.46 42.66 2va1 s ILE 153 CO 0.67 -0.11 -0.07 -0.63 -1.91 0.00 0.00 174.94 172.90 2va1 s ILE 154 N -0.31 3.25 -0.40 2.00 1.01 0.58 -2.24 121.20 125.09 2va1 s ILE 154 Ca -0.03 -0.54 -0.29 0.00 0.00 0.00 0.00 60.65 59.78 2va1 s ILE 154 Cb -0.02 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 40.02 2va1 s ILE 154 CO -0.00 0.45 1.14 -0.76 0.00 0.00 0.00 174.94 175.77 2va1 s LEU 155 N 1.27 3.76 -0.84 2.97 1.43 0.74 -0.78 118.68 127.22 2va1 s LEU 155 Ca 0.03 0.77 -0.09 0.00 -1.03 0.00 0.00 54.13 53.81 2va1 s LEU 155 Cb -0.14 -3.55 0.22 0.00 0.03 0.00 0.00 46.19 42.75 2va1 s LEU 155 CO -0.03 -1.11 0.76 -0.32 0.23 0.00 0.00 176.35 175.88 2va1 s MET 156 N 4.15 3.44 -0.06 1.70 1.75 0.49 -1.63 119.30 129.15 2va1 s MET 156 Ca 0.48 -2.71 -0.30 0.00 -1.25 0.00 0.00 55.69 51.92 2va1 s MET 156 Cb -0.10 -4.24 -0.05 0.00 2.84 0.00 0.00 34.83 33.28 2va1 s MET 156 CO 0.25 -1.25 1.55 0.20 -0.65 0.00 0.00 175.02 175.12 2va1 s GLY 157 N 1.41 1.60 0.04 2.11 0.00 -1.25 -2.68 107.32 108.56 2va1 s GLY 157 Ca 0.21 0.87 0.02 0.00 0.00 0.00 0.00 44.72 45.82 2va1 s GLY 157 CO -0.08 2.86 0.03 0.54 0.00 0.00 0.00 173.10 176.45 2va1 s LYS 158 N 3.61 2.79 -0.90 2.90 1.02 0.53 -4.79 119.74 124.91 2va1 s LYS 158 Ca 0.69 -0.67 -0.19 0.00 0.02 0.00 0.00 55.97 55.82 2va1 s LYS 158 Cb -0.31 -2.68 0.13 0.00 -0.52 0.00 0.00 37.83 34.45 2va1 s LYS 158 CO 0.27 0.59 1.07 -0.80 -0.92 0.00 0.00 175.35 175.56 2va1 s ASN 159 N -1.98 6.60 0.00 2.83 0.01 -1.26 -1.14 114.94 120.00 2va1 s ASN 159 Ca 0.24 -2.03 0.00 0.00 -0.71 0.00 0.00 52.86 50.36 2va1 s ASN 159 Cb -0.12 -2.38 0.00 0.00 0.41 0.00 0.00 41.25 39.16 2va1 s ASN 159 CO 0.16 -1.04 0.00 0.61 -1.51 0.00 0.00 177.10 175.31 2va1 n GLY 160 N 5.35 3.10 3.72 0.66 0.00 -1.26 -5.03 105.19 111.73 2va1 n GLY 160 Ca 0.21 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 2va1 n GLY 160 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2va1 s VAL 161 N -0.43 4.76 -0.69 1.61 -7.23 -1.26 -4.95 120.40 112.21 2va1 s VAL 161 Ca 0.00 1.99 0.22 0.00 -1.81 0.00 0.00 61.98 62.38 2va1 s VAL 161 Cb 0.00 -4.29 0.23 0.00 0.56 0.00 0.00 36.38 32.88 2va1 s VAL 161 CO 0.00 0.23 1.69 0.47 -0.31 0.00 0.00 175.10 177.17 2va1 n ASP 162 N 3.48 0.49 0.00 4.85 9.92 -1.26 -3.63 116.55 130.39 2va1 n ASP 162 Ca 0.04 0.60 0.00 0.00 -0.53 0.00 0.00 54.79 54.90 2va1 n ASP 162 Cb 0.50 -0.71 0.00 0.00 -0.64 0.00 0.00 41.12 40.27 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 0.37 -0.62 3.72 0.44 0.00 -1.26 -3.51 105.19 104.33 2va1 n GLY 163 Ca 0.03 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.00 5.26 0.38 1.61 1.01 -1.26 -4.98 120.40 118.42 2va1 s VAL 164 Ca 0.00 0.72 0.08 0.00 0.00 0.00 0.00 61.98 62.78 2va1 s VAL 164 Cb 0.00 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 2va1 s VAL 164 CO 0.00 0.36 0.03 -0.31 0.00 0.00 0.00 175.10 175.18 2va1 s TYR 165 N 0.56 2.53 -0.59 5.22 2.02 -1.26 -2.09 117.35 123.75 2va1 s TYR 165 Ca 0.20 -0.55 0.25 0.00 -0.37 0.00 0.00 57.07 56.61 2va1 s TYR 165 Cb -0.14 -1.66 0.68 0.00 -0.40 0.00 0.00 41.96 40.44 2va1 s TYR 165 CO 0.07 0.42 1.72 0.38 -1.57 0.00 0.00 175.55 176.57 2va1 h ASP 166 N 1.74 0.00 -5.10 2.29 2.03 -1.85 -3.47 116.42 112.05 2va1 h ASP 166 Ca -0.43 0.00 0.10 0.00 -0.73 0.00 0.00 57.03 55.97 2va1 h ASP 166 Cb 1.25 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.69 2va1 h ASP 166 CO 0.72 0.00 0.31 -0.94 -1.03 0.00 0.00 179.24 178.30 2va1 s SER 167 N -5.13 -0.23 0.04 4.15 1.04 -1.26 -4.99 113.70 107.30 2va1 s SER 167 Ca 0.09 -0.55 -0.30 0.00 0.48 0.00 0.00 55.95 55.67 2va1 s SER 167 Cb 0.10 0.66 -0.08 0.00 0.10 0.00 0.00 66.02 66.79 2va1 s SER 167 CO 0.61 -1.21 1.80 -0.62 0.98 0.00 0.00 173.24 174.80 2va1 s ASP 168 N -2.93 6.53 0.25 7.02 2.15 -1.26 -4.87 116.67 123.56 2va1 s ASP 168 Ca 0.11 2.54 0.05 0.00 0.43 0.00 0.00 52.55 55.68 2va1 s ASP 168 Cb -0.05 -2.54 0.28 0.00 -0.30 0.00 0.00 42.92 40.31 2va1 s ASP 168 CO 0.06 -0.98 1.58 -0.65 -0.17 0.00 0.00 175.17 175.01 2va1 h PRO 169 N 9.52 0.24 -0.72 4.34 0.11 -1.96 -2.61 132.00 140.92 2va1 h PRO 169 Ca -0.45 -0.16 0.19 0.00 0.11 0.00 0.00 66.00 65.70 2va1 h PRO 169 Cb 1.21 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 2va1 h PRO 169 CO 0.94 0.74 0.51 0.87 -0.21 0.00 0.00 178.00 180.85 2va1 h LYS 170 N 0.18 0.08 0.00 1.05 1.79 -2.03 -3.32 116.57 114.33 2va1 h LYS 170 Ca -0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2va1 h LYS 170 Cb 1.06 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2va1 h LYS 170 CO 0.09 0.06 0.00 -0.89 -1.08 0.00 0.00 179.45 177.62 2va1 n ILE 171 N -4.36 0.00 -2.39 1.86 2.08 -1.17 -4.93 119.36 110.44 2va1 n ILE 171 Ca 0.14 0.24 -0.43 0.00 0.56 0.00 0.00 62.75 63.27 2va1 n ILE 171 Cb 0.73 -1.10 -0.02 0.00 -0.75 0.00 0.00 39.64 38.49 2va1 n ILE 171 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 2va1 s ASN 172 N -2.32 6.91 0.00 4.38 -0.87 -0.99 -4.88 114.94 117.16 2va1 s ASN 172 Ca 0.00 1.70 0.00 0.00 -1.57 0.00 0.00 52.86 52.99 2va1 s ASN 172 Cb 0.00 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.69 2va1 s ASN 172 CO 0.00 -0.79 0.75 -2.65 -2.57 0.00 0.00 177.10 171.83 2va1 n PRO 173 N 6.69 0.91 0.00 -0.60 -0.02 -1.26 -3.26 135.00 137.46 2va1 n PRO 173 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2va1 n PRO 173 Cb 0.45 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 2va1 n PRO 173 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2va1 n ASN 174 N 0.37 0.00 -4.70 2.55 2.85 -1.26 -5.08 115.26 109.99 2va1 n ASN 174 Ca 0.00 -1.00 -0.42 0.00 -0.11 0.00 0.00 54.58 53.05 2va1 n ASN 174 Cb 0.37 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.36 2va1 n ASN 174 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2va1 s ALA 175 N 0.00 3.62 0.21 5.20 0.00 -1.20 -4.99 121.76 124.60 2va1 s ALA 175 Ca 0.00 1.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.75 2va1 s ALA 175 Cb 0.00 -3.59 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 2va1 s ALA 175 CO 0.00 -0.81 1.25 -0.65 0.00 0.00 0.00 175.76 175.55 2va1 s GLN 176 N 1.77 4.45 -0.26 0.00 -0.21 -1.26 -4.92 119.66 119.23 2va1 s GLN 176 Ca 0.66 1.98 -0.08 0.00 0.02 0.00 0.00 55.36 57.94 2va1 s GLN 176 Cb -0.36 -3.20 -0.03 0.00 1.00 0.00 0.00 33.01 30.41 2va1 s GLN 176 CO 0.30 -0.14 0.11 0.12 -2.12 0.00 0.00 175.29 173.55 2va1 s PHE 177 N -0.18 3.13 -0.17 0.91 5.36 -1.26 -2.61 117.98 123.16 2va1 s PHE 177 Ca 0.53 -0.28 -0.22 0.00 -0.96 0.00 0.00 56.93 56.01 2va1 s PHE 177 Cb -0.35 -2.28 -0.02 0.00 -0.34 0.00 0.00 43.02 40.02 2va1 s PHE 177 CO 0.39 -0.31 0.69 0.71 -1.46 0.00 0.00 175.22 175.24 2va1 s TYR 178 N 1.66 3.42 -0.17 10.12 1.51 -0.89 -4.91 117.35 128.08 2va1 s TYR 178 Ca 0.06 1.05 0.16 0.00 -1.01 0.00 0.00 57.07 57.33 2va1 s TYR 178 Cb -0.15 -2.85 0.07 0.00 -0.11 0.00 0.00 41.96 38.91 2va1 s TYR 178 CO 0.06 -0.15 1.41 1.05 -1.11 0.00 0.00 175.55 176.81 2va1 h GLU 179 N 7.32 0.00 -2.69 -0.62 9.09 -1.90 -3.37 114.58 122.41 2va1 h GLU 179 Ca -0.32 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 58.97 2va1 h GLU 179 Cb 1.15 0.00 -0.25 0.00 -1.65 0.00 0.00 28.75 28.00 2va1 h GLU 179 CO 0.79 0.45 -0.25 -1.58 0.05 0.00 0.00 179.01 178.47 2va1 s HIS 180 N -2.98 -0.51 0.00 2.06 5.04 -1.26 -2.11 115.29 115.54 2va1 s HIS 180 Ca 0.04 1.18 -0.02 0.00 -1.54 0.00 0.00 55.06 54.71 2va1 s HIS 180 Cb 0.07 0.20 -0.01 0.00 0.04 0.00 0.00 32.58 32.88 2va1 s HIS 180 CO 0.75 -0.26 0.04 -1.50 -2.34 0.00 0.00 174.74 171.42 2va1 s ILE 181 N 0.62 0.07 0.48 0.89 2.07 -0.55 -4.95 121.20 119.83 2va1 s ILE 181 Ca -0.03 -0.54 -0.11 0.00 -1.41 0.00 0.00 60.65 58.56 2va1 s ILE 181 Cb -0.05 -0.24 -0.06 0.00 0.13 0.00 0.00 42.46 42.24 2va1 s ILE 181 CO -0.04 -0.30 0.86 0.42 -1.91 0.00 0.00 174.94 173.97 2va1 s THR 182 N -0.92 4.74 0.26 4.00 -4.23 -1.26 -2.66 115.64 115.57 2va1 s THR 182 Ca -0.10 0.71 -0.02 0.00 -1.18 0.00 0.00 61.69 61.10 2va1 s THR 182 Cb -0.06 -3.78 0.24 0.00 1.34 0.00 0.00 72.50 70.25 2va1 s THR 182 CO -0.00 -0.72 1.82 -0.26 -0.54 0.00 0.00 174.62 174.92 2va1 h PHE 183 N 0.73 0.99 0.29 3.99 -1.00 -1.81 -2.12 116.94 118.01 2va1 h PHE 183 Ca -0.47 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.34 2va1 h PHE 183 Cb 1.19 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 40.43 2va1 h PHE 183 CO 0.62 0.40 -0.21 -0.91 -1.61 0.00 0.00 178.31 176.60 2va1 h ASN 184 N 0.89 -0.54 -0.76 2.17 2.35 -1.93 -1.77 115.58 115.99 2va1 h ASN 184 Ca 0.44 0.04 0.05 0.00 -0.55 0.00 0.00 56.30 56.28 2va1 h ASN 184 Cb 0.41 0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.90 2va1 h ASN 184 CO -0.25 -0.33 0.50 -0.03 -1.65 0.00 0.00 177.43 175.67 2va1 h MET 185 N -0.50 0.85 0.00 0.81 4.05 -1.92 -2.25 114.93 115.97 2va1 h MET 185 Ca -0.02 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.28 2va1 h MET 185 Cb 0.43 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 2va1 h MET 185 CO 0.00 0.56 -0.33 0.00 0.23 0.00 0.00 176.91 177.38 2va1 h ALA 186 N 1.57 1.27 0.01 0.39 0.00 -0.93 -2.58 119.26 118.99 2va1 h ALA 186 Ca 0.31 -0.30 -0.32 0.00 0.00 0.00 0.00 54.91 54.61 2va1 h ALA 186 Cb 0.12 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2va1 h ALA 186 CO -0.10 0.41 -1.91 1.47 0.00 0.00 0.00 179.25 179.12 2va1 n LEU 187 N -3.88 0.75 -0.01 0.00 -0.00 -0.71 0.25 117.00 113.40 2va1 n LEU 187 Ca -0.01 0.29 -0.02 0.00 -0.00 0.00 0.00 56.01 56.27 2va1 n LEU 187 Cb 0.40 0.19 0.24 0.00 -0.00 0.00 0.00 43.42 44.25 2va1 n LEU 187 CO 0.37 0.44 0.86 0.71 -0.00 0.00 0.00 177.39 179.77 2va1 h THR 188 N 0.00 1.23 0.00 1.47 1.35 -1.40 -0.73 112.91 114.82 2va1 h THR 188 Ca -0.36 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 2va1 h THR 188 Cb 2.07 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 2va1 h THR 188 CO 0.06 0.33 0.00 0.00 -0.25 0.00 0.00 175.52 175.66 2va1 n GLN 189 N -4.22 0.02 -3.80 4.72 6.02 -0.97 -4.94 117.38 114.22 2va1 n GLN 189 Ca 0.01 0.11 -0.24 0.00 -0.01 0.00 0.00 57.00 56.88 2va1 n GLN 189 Cb 0.31 -1.53 0.02 0.00 1.02 0.00 0.00 30.24 30.05 2va1 n GLN 189 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2va1 n ASN 190 N -1.58 -1.56 -4.81 1.08 5.15 -0.28 -5.01 115.26 108.25 2va1 n ASN 190 Ca 0.06 -0.86 -0.36 0.00 -0.60 0.00 0.00 54.58 52.82 2va1 n ASN 190 Cb 0.28 -3.79 -0.06 0.00 -0.53 0.00 0.00 39.78 35.68 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 -6.84 4.28 -0.59 1.20 1.43 0.14 -5.00 118.68 113.29 2va1 s LEU 191 Ca 0.12 1.55 0.05 0.00 -1.03 0.00 0.00 54.13 54.81 2va1 s LEU 191 Cb -0.06 -3.85 0.35 0.00 0.03 0.00 0.00 46.19 42.66 2va1 s LEU 191 CO 0.83 -0.06 1.03 0.29 0.23 0.00 0.00 176.35 178.67 2va1 n LYS 192 N 0.44 3.39 -0.34 1.70 5.02 -1.26 -4.57 118.16 122.55 2va1 n LYS 192 Ca 0.00 -4.81 0.10 0.00 -2.02 0.00 0.00 58.31 51.58 2va1 n LYS 192 Cb 0.51 -2.25 0.21 0.00 -0.02 0.00 0.00 35.03 33.48 2va1 n LYS 192 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2va1 h VAL 193 N 2.88 0.05 -3.81 -0.18 2.07 -1.95 -3.40 116.25 111.90 2va1 h VAL 193 Ca 0.18 -0.00 -0.38 0.00 0.82 0.00 0.00 66.70 67.31 2va1 h VAL 193 Cb 0.53 0.03 -0.14 0.00 -1.52 0.00 0.00 31.29 30.19 2va1 h VAL 193 CO 0.85 0.00 -0.59 -0.04 0.02 0.00 0.00 177.57 177.81 2va1 s MET 194 N -6.13 1.50 0.77 1.57 -1.94 -1.26 -5.14 119.30 108.68 2va1 s MET 194 Ca -0.14 -1.84 -0.13 0.00 -1.71 0.00 0.00 55.69 51.87 2va1 s MET 194 Cb 0.27 -0.20 0.06 0.00 2.01 0.00 0.00 34.83 36.98 2va1 s MET 194 CO 0.78 -0.37 1.17 0.16 -0.01 0.00 0.00 175.02 176.75 2va1 s ASP 195 N -3.35 4.02 0.29 3.03 -4.77 -1.26 -4.78 116.67 109.85 2va1 s ASP 195 Ca 0.36 2.22 0.03 0.00 -3.30 0.00 0.00 52.55 51.87 2va1 s ASP 195 Cb 0.06 -2.57 0.64 0.00 -1.09 0.00 0.00 42.92 39.96 2va1 s ASP 195 CO 0.15 -2.38 1.81 0.00 0.70 0.00 0.00 175.17 175.46 2va1 h ALA 196 N -0.73 1.59 -0.22 2.11 0.00 -1.99 -1.91 119.26 118.11 2va1 h ALA 196 Ca -0.46 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2va1 h ALA 196 Cb 1.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2va1 h ALA 196 CO 0.48 0.10 0.06 1.15 0.00 0.00 0.00 179.25 181.04 2va1 h THR 197 N 0.89 1.20 -0.64 0.00 2.02 -2.00 -1.16 112.91 113.23 2va1 h THR 197 Ca 0.54 -0.66 0.01 0.00 0.77 0.00 0.00 66.41 67.06 2va1 h THR 197 Cb 0.68 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 2va1 h THR 197 CO -0.32 0.21 0.42 0.00 0.37 0.00 0.00 175.52 176.20 2va1 h ALA 198 N 0.87 0.81 -0.26 6.16 0.00 -1.75 -1.38 119.26 123.70 2va1 h ALA 198 Ca 0.07 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2va1 h ALA 198 Cb 0.27 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2va1 h ALA 198 CO 0.00 0.24 -0.00 -0.07 0.00 0.00 0.00 179.25 179.42 2va1 h LEU 199 N 0.86 -0.11 -0.40 0.00 4.07 -1.24 -1.22 115.31 117.28 2va1 h LEU 199 Ca 0.23 0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.25 2va1 h LEU 199 Cb -0.10 0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 2va1 h LEU 199 CO -0.05 -0.02 0.23 0.00 -1.08 0.00 0.00 178.44 177.52 2va1 h ALA 200 N 1.23 0.51 -0.77 1.53 0.00 -0.91 -1.24 119.26 119.60 2va1 h ALA 200 Ca 0.13 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2va1 h ALA 200 Cb 0.17 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2va1 h ALA 200 CO -0.22 0.01 0.49 -0.07 0.00 0.00 0.00 179.25 179.46 2va1 h LEU 201 N 0.52 0.79 -0.46 0.00 4.07 -1.08 0.18 115.31 119.33 2va1 h LEU 201 Ca 0.14 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.03 2va1 h LEU 201 Cb 0.02 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 2va1 h LEU 201 CO -0.03 0.54 0.00 0.00 -1.08 0.00 0.00 178.44 177.88 2va1 h GLN 203 N 0.65 0.27 -0.88 0.00 4.20 -0.99 0.20 115.11 118.56 2va1 h GLN 203 Ca 0.13 -0.07 0.13 0.00 0.06 0.00 0.00 58.65 58.90 2va1 h GLN 203 Cb 0.50 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.18 2va1 h GLN 203 CO 0.02 0.45 0.57 0.93 -0.67 0.00 0.00 178.83 180.13 2va1 h GLU 204 N 0.04 0.69 -0.32 1.46 5.08 -0.97 -2.88 114.58 117.68 2va1 h GLU 204 Ca 0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2va1 h GLU 204 Cb 0.32 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2va1 h GLU 204 CO 0.00 0.46 0.00 0.09 -1.00 0.00 0.00 179.01 178.56 2va1 n ASN 205 N -4.55 3.51 -3.75 1.42 4.13 -1.04 -4.99 115.26 109.99 2va1 n ASN 205 Ca 0.17 -2.52 -0.23 0.00 1.68 0.00 0.00 54.58 53.68 2va1 n ASN 205 Cb 0.44 -0.40 0.03 0.00 -1.54 0.00 0.00 39.78 38.30 2va1 n ASN 205 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2va1 n ASN 206 N 0.04 -1.47 -4.65 6.41 4.13 -0.53 -4.98 115.26 114.21 2va1 n ASN 206 Ca 0.17 -0.83 -0.35 0.00 1.68 0.00 0.00 54.58 55.24 2va1 n ASN 206 Cb 0.68 -3.95 -0.10 0.00 -1.54 0.00 0.00 39.78 34.88 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 -3.66 5.06 0.32 2.41 1.01 0.60 -4.87 121.20 122.07 2va1 s ILE 207 Ca 0.08 0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 2va1 s ILE 207 Cb -0.04 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 2va1 s ILE 207 CO 0.82 0.41 0.57 0.20 0.00 0.00 0.00 174.94 176.94 2va1 s ASN 208 N 0.69 6.39 -0.00 3.58 0.01 0.24 -4.59 114.94 121.27 2va1 s ASN 208 Ca 0.06 0.67 0.03 0.00 -0.71 0.00 0.00 52.86 52.90 2va1 s ASN 208 Cb -0.13 -2.12 -0.03 0.00 0.41 0.00 0.00 41.25 39.38 2va1 s ASN 208 CO 0.01 -0.25 -0.06 -0.76 -1.51 0.00 0.00 177.10 174.53 2va1 s LEU 209 N -3.85 3.20 -0.41 0.60 1.43 0.13 -0.31 118.68 119.47 2va1 s LEU 209 Ca 0.43 -0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 2va1 s LEU 209 Cb -0.10 -1.82 0.12 0.00 0.03 0.00 0.00 46.19 44.41 2va1 s LEU 209 CO 0.33 0.29 0.17 -0.22 0.23 0.00 0.00 176.35 177.14 2va1 s LEU 210 N -1.40 3.65 -0.12 1.79 2.96 0.04 -0.91 118.68 124.69 2va1 s LEU 210 Ca 0.17 -2.45 -0.19 0.00 -0.22 0.00 0.00 54.13 51.45 2va1 s LEU 210 Cb -0.11 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 2va1 s LEU 210 CO 0.07 -0.31 0.50 -0.69 -1.32 0.00 0.00 176.35 174.61 2va1 s VAL 211 N 0.53 5.17 0.27 1.68 1.01 0.18 -0.38 120.40 128.86 2va1 s VAL 211 Ca 0.14 1.01 -0.14 0.00 0.00 0.00 0.00 61.98 62.99 2va1 s VAL 211 Cb -0.22 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2va1 s VAL 211 CO -0.06 0.31 0.55 0.72 0.00 0.00 0.00 175.10 176.61 2va1 s PHE 212 N 0.71 0.29 -0.37 5.22 -0.12 -1.09 -0.34 117.98 122.28 2va1 s PHE 212 Ca 0.27 -0.68 -0.24 0.00 -0.05 0.00 0.00 56.93 56.23 2va1 s PHE 212 Cb -0.15 0.32 0.01 0.00 -0.63 0.00 0.00 43.02 42.56 2va1 s PHE 212 CO 0.11 -1.09 0.81 1.21 -0.05 0.00 0.00 175.22 176.20 2va1 s ASN 213 N -3.02 6.57 0.35 1.98 2.47 -1.23 -0.35 114.94 121.71 2va1 s ASN 213 Ca 0.20 0.37 0.22 0.00 0.42 0.00 0.00 52.86 54.08 2va1 s ASN 213 Cb -0.02 -2.41 0.20 0.00 -1.45 0.00 0.00 41.25 37.57 2va1 s ASN 213 CO 0.10 -0.76 1.39 -0.29 -3.72 0.00 0.00 177.10 173.82 2va1 h ILE 214 N 5.77 0.04 0.00 -5.21 6.09 -1.42 -3.33 117.51 119.46 2va1 h ILE 214 Ca -0.24 -1.06 -0.07 0.00 -1.37 0.00 0.00 64.86 62.11 2va1 h ILE 214 Cb 1.09 1.84 -0.01 0.00 0.47 0.00 0.00 36.82 40.21 2va1 h ILE 214 CO 0.92 0.02 -0.33 0.44 -3.07 0.00 0.00 178.15 176.14 2va1 h ASP 215 N 0.00 0.00 -3.99 2.19 3.32 -1.92 -3.44 116.42 112.57 2va1 h ASP 215 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2va1 h ASP 215 Cb 1.02 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.68 2va1 h ASP 215 CO 0.00 0.33 0.65 -0.54 -1.72 0.00 0.00 179.24 177.96 2va1 s LYS 216 N -4.03 3.65 0.25 3.56 1.02 -1.25 -4.96 119.74 117.99 2va1 s LYS 216 Ca -0.02 2.27 -0.31 0.00 0.02 0.00 0.00 55.97 57.93 2va1 s LYS 216 Cb 0.13 -2.59 -0.12 0.00 -0.52 0.00 0.00 37.83 34.73 2va1 s LYS 216 CO 0.69 -0.79 1.58 -2.30 -0.92 0.00 0.00 175.35 173.60 2va1 n PRO 217 N -0.30 2.52 -1.98 -1.68 -0.02 -1.26 -2.58 135.00 129.70 2va1 n PRO 217 Ca 0.06 0.90 -0.21 0.00 -2.02 0.00 0.00 63.50 62.23 2va1 n PRO 217 Cb 0.43 -2.66 -0.05 0.00 -0.02 0.00 0.00 33.50 31.20 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 2.59 -5.66 -0.13 2.55 4.13 -1.26 -4.91 115.26 112.57 2va1 n ASN 218 Ca 0.11 0.26 -0.06 0.00 1.68 0.00 0.00 54.58 56.57 2va1 n ASN 218 Cb 0.34 -4.86 0.02 0.00 -1.54 0.00 0.00 39.78 33.74 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 0.49 0.51 -0.33 5.41 0.00 -1.79 -0.70 119.26 122.86 2va1 h ALA 219 Ca -0.46 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 2va1 h ALA 219 Cb 1.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2va1 h ALA 219 CO 0.60 -0.15 -0.10 0.82 0.00 0.00 0.00 179.25 180.43 2va1 h ILE 220 N 0.42 1.28 -0.45 0.00 2.04 -1.89 -1.86 117.51 117.06 2va1 h ILE 220 Ca 0.18 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 2va1 h ILE 220 Cb 0.08 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 2va1 h ILE 220 CO -0.12 0.38 0.19 0.58 0.00 0.00 0.00 178.15 179.18 2va1 h VAL 221 N 0.43 1.20 -0.54 1.67 2.07 -1.86 -3.11 116.25 116.11 2va1 h VAL 221 Ca 0.08 -0.59 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 2va1 h VAL 221 Cb 0.60 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2va1 h VAL 221 CO 0.04 0.22 -0.02 0.44 0.02 0.00 0.00 177.57 178.27 2va1 h ASP 222 N 0.59 0.92 0.65 0.57 3.32 -1.00 -2.87 116.42 118.58 2va1 h ASP 222 Ca 0.15 -0.25 -0.09 0.00 0.02 0.00 0.00 57.03 56.86 2va1 h ASP 222 Cb 0.17 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2va1 h ASP 222 CO -0.01 0.99 -0.41 1.62 -1.72 0.00 0.00 179.24 179.70 2va1 h VAL 223 N 0.86 1.06 0.00 -1.35 3.04 -1.34 0.28 116.25 118.80 2va1 h VAL 223 Ca 0.16 -1.52 -0.01 0.00 -1.01 0.00 0.00 66.70 64.32 2va1 h VAL 223 Cb 0.53 1.87 -0.00 0.00 -2.01 0.00 0.00 31.29 31.68 2va1 h VAL 223 CO 0.03 0.40 -0.06 -0.07 -1.01 0.00 0.00 177.57 176.85 2va1 h LEU 224 N 0.00 0.00 -1.95 3.16 3.38 -1.46 -2.47 115.31 115.97 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 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2va1 h LEU 224 CO 0.05 0.06 0.00 -0.62 0.09 0.00 0.00 178.44 178.03 2va1 n GLU 225 N -3.13 2.26 -2.13 1.13 1.02 -0.87 -4.96 120.64 113.96 2va1 n GLU 225 Ca 0.03 -1.92 -0.19 0.00 -0.02 0.00 0.00 57.16 55.06 2va1 n GLU 225 Cb 0.49 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.42 2va1 n GLU 225 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2va1 n LYS 226 N 1.10 -1.46 0.06 3.49 4.76 -0.55 -4.92 118.16 120.63 2va1 n LYS 226 Ca 0.19 0.99 -0.10 0.00 -2.87 0.00 0.00 58.31 56.52 2va1 n LYS 226 Cb 0.50 -5.48 -0.13 0.00 -1.84 0.00 0.00 35.03 28.07 2va1 n LYS 226 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2va1 h LYS 227 N 0.00 0.08 0.00 1.97 1.57 -0.74 -3.48 116.57 115.97 2va1 h LYS 227 Ca -0.43 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 2va1 h LYS 227 Cb 1.31 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.67 2va1 h LYS 227 CO 0.54 0.98 0.00 0.09 -0.57 0.00 0.00 179.45 180.50 2va1 n ASN 228 N -3.35 1.24 -4.69 0.86 3.02 -1.26 -5.04 115.26 106.04 2va1 n ASN 228 Ca -0.06 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.07 2va1 n ASN 228 Cb 0.98 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 40.13 2va1 n ASN 228 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2va1 s LYS 229 N 1.75 4.41 0.01 3.52 2.20 -1.26 -5.03 119.74 125.34 2va1 s LYS 229 Ca 0.00 1.37 -0.17 0.00 -0.36 0.00 0.00 55.97 56.82 2va1 s LYS 229 Cb 0.00 -3.55 0.03 0.00 -1.51 0.00 0.00 37.83 32.80 2va1 s LYS 229 CO 0.00 -0.33 0.36 1.52 -0.36 0.00 0.00 175.35 176.54 2va1 s TYR 230 N 2.08 -0.22 -0.17 4.03 -0.85 -1.26 -4.56 117.35 116.40 2va1 s TYR 230 Ca 0.48 0.23 -0.05 0.00 -0.52 0.00 0.00 57.07 57.21 2va1 s TYR 230 Cb -0.18 0.15 -0.03 0.00 0.38 0.00 0.00 41.96 42.28 2va1 s TYR 230 CO 0.17 -0.49 0.00 0.99 -1.52 0.00 0.00 175.55 174.71 2va1 s THR 231 N -1.96 4.17 -0.20 -3.49 2.01 0.53 -4.40 115.64 112.30 2va1 s THR 231 Ca -0.09 -0.25 -0.15 0.00 0.31 0.00 0.00 61.69 61.51 2va1 s THR 231 Cb -0.02 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 2va1 s THR 231 CO 0.01 0.47 0.36 -0.63 -0.69 0.00 0.00 174.62 174.14 2va1 s ILE 232 N 0.53 5.22 -0.21 1.82 1.01 -0.90 0.49 121.20 129.17 2va1 s ILE 232 Ca -0.01 0.63 -0.07 0.00 0.00 0.00 0.00 60.65 61.20 2va1 s ILE 232 Cb -0.14 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 2va1 s ILE 232 CO 0.02 0.27 0.06 -0.69 0.00 0.00 0.00 174.94 174.60 2va1 s VAL 233 N 1.24 4.46 0.33 2.92 1.01 -0.09 -1.48 120.40 128.80 2va1 s VAL 233 Ca 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 2va1 s VAL 233 Cb -0.14 -3.04 -0.00 0.00 0.00 0.00 0.00 36.38 33.19 2va1 s VAL 233 CO 0.07 0.40 0.46 -0.94 0.00 0.00 0.00 175.10 175.09 2va1 s SER 234 N 0.98 0.84 0.00 3.32 1.04 -1.09 -0.69 113.70 118.10 2va1 s SER 234 Ca 0.03 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.01 2va1 s SER 234 Cb -0.14 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2va1 s SER 234 CO 0.03 -1.26 0.00 0.29 0.98 0.00 0.00 173.24 173.27