#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2va1 s GLN 4 N 0.00 3.78 -0.17 1.64 1.11 -1.26 -4.57 119.66 120.19 2va1 s GLN 4 Ca 0.00 2.42 -0.06 0.00 0.01 0.00 0.00 55.36 57.72 2va1 s GLN 4 Cb 0.00 -2.72 -0.04 0.00 -1.01 0.00 0.00 33.01 29.25 2va1 s GLN 4 CO 0.00 -0.74 0.04 1.03 0.01 0.00 0.00 175.29 175.63 2va1 s ARG 5 N -2.37 3.82 0.06 2.91 0.52 -1.26 -1.32 118.95 121.30 2va1 s ARG 5 Ca 0.59 -0.37 0.04 0.00 -0.52 0.00 0.00 55.73 55.47 2va1 s ARG 5 Cb -0.44 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 31.89 2va1 s ARG 5 CO 0.57 0.32 -0.11 0.96 0.02 0.00 0.00 175.30 177.06 2va1 s ILE 6 N 0.21 0.86 -0.15 1.52 -4.36 -0.53 -3.60 121.20 115.15 2va1 s ILE 6 Ca 0.03 -1.16 -0.02 0.00 -0.26 0.00 0.00 60.65 59.23 2va1 s ILE 6 Cb -0.13 -0.86 -0.02 0.00 1.25 0.00 0.00 42.46 42.71 2va1 s ILE 6 CO 0.01 -0.27 -0.08 -0.69 0.24 0.00 0.00 174.94 174.15 2va1 s VAL 7 N -1.26 3.47 -0.27 8.37 1.01 -0.91 -1.11 120.40 129.70 2va1 s VAL 7 Ca -0.05 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 2va1 s VAL 7 Cb -0.10 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 2va1 s VAL 7 CO 0.01 0.50 0.06 -0.63 0.00 0.00 0.00 175.10 175.05 2va1 s ILE 8 N 0.46 3.98 -0.37 2.22 1.01 0.55 -0.15 121.20 128.90 2va1 s ILE 8 Ca -0.06 -0.52 -0.25 0.00 0.00 0.00 0.00 60.65 59.81 2va1 s ILE 8 Cb -0.15 -2.97 0.01 0.00 0.01 0.00 0.00 42.46 39.36 2va1 s ILE 8 CO 0.04 0.20 0.88 -0.75 0.00 0.00 0.00 174.94 175.31 2va1 s LYS 9 N 1.53 3.80 -0.35 2.79 2.36 -0.64 -1.49 119.74 127.74 2va1 s LYS 9 Ca 0.04 0.48 -0.02 0.00 -2.55 0.00 0.00 55.97 53.91 2va1 s LYS 9 Cb -0.16 -3.81 0.08 0.00 -1.05 0.00 0.00 37.83 32.88 2va1 s LYS 9 CO 0.02 -0.94 0.10 0.42 1.55 0.00 0.00 175.35 176.51 2va1 s ILE 10 N 3.38 3.14 0.85 5.43 -1.09 -0.02 -3.85 121.20 129.05 2va1 s ILE 10 Ca 0.36 -1.72 -0.11 0.00 -2.23 0.00 0.00 60.65 56.96 2va1 s ILE 10 Cb -0.12 -2.99 0.11 0.00 -1.58 0.00 0.00 42.46 37.88 2va1 s ILE 10 CO 0.19 -0.40 1.11 -0.94 -1.23 0.00 0.00 174.94 173.66 2va1 s SER 11 N 1.50 3.68 0.30 3.58 1.04 -1.26 -1.12 113.70 121.41 2va1 s SER 11 Ca 0.02 1.87 -0.00 0.00 0.48 0.00 0.00 55.95 58.32 2va1 s SER 11 Cb -0.21 -2.47 0.51 0.00 0.10 0.00 0.00 66.02 63.94 2va1 s SER 11 CO -0.03 -2.57 1.93 1.23 0.98 0.00 0.00 173.24 174.78 2va1 h GLY 12 N -1.50 1.28 1.90 7.32 0.00 -1.92 -2.58 103.07 107.58 2va1 h GLY 12 Ca -0.45 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 46.46 2va1 h GLY 12 CO 0.49 0.34 0.04 0.00 0.00 0.00 0.00 176.54 177.40 2va1 h ALA 13 N 1.50 1.33 0.00 3.60 0.00 -1.92 -1.20 119.26 122.57 2va1 h ALA 13 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2va1 h ALA 13 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2va1 h ALA 13 CO -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.07 2va1 n LEU 15 N -3.02 1.47 -4.40 0.00 4.77 -0.46 -4.63 117.00 110.73 2va1 n LEU 15 Ca -0.00 -0.70 -0.32 0.00 -0.03 0.00 0.00 56.01 54.96 2va1 n LEU 15 Cb 0.24 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.18 2va1 n LEU 15 CO 0.25 0.29 -0.48 -0.75 -1.33 0.00 0.00 177.39 175.37 2va1 s LYS 16 N -2.16 2.69 -0.26 3.23 2.20 -1.16 0.43 119.74 124.71 2va1 s LYS 16 Ca 0.12 -0.75 -0.15 0.00 -0.36 0.00 0.00 55.97 54.83 2va1 s LYS 16 Cb 0.14 -2.37 -0.12 0.00 -1.51 0.00 0.00 37.83 33.97 2va1 s LYS 16 CO 0.50 0.48 -0.30 0.94 -0.36 0.00 0.00 175.35 176.60 2va1 n GLN 17 N 2.73 0.58 -3.99 4.03 -0.06 -1.26 -4.92 117.38 114.49 2va1 n GLN 17 Ca -0.17 0.29 -0.10 0.00 -2.00 0.00 0.00 57.00 55.02 2va1 n GLN 17 Cb 0.52 -1.51 -0.07 0.00 -4.06 0.00 0.00 30.24 25.12 2va1 n GLN 17 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 2va1 s ASN 18 N -7.24 0.05 0.42 1.69 2.47 -1.26 -5.06 114.94 106.01 2va1 s ASN 18 Ca -0.37 -0.92 0.29 0.00 0.42 0.00 0.00 52.86 52.29 2va1 s ASN 18 Cb 0.13 0.44 1.42 0.00 -1.45 0.00 0.00 41.25 41.78 2va1 s ASN 18 CO 0.49 -0.90 1.89 0.44 -3.72 0.00 0.00 177.10 175.30 2va1 h ASP 19 N 2.55 0.00 0.62 -4.21 3.32 -2.00 -3.04 116.42 113.66 2va1 h ASP 19 Ca -0.32 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.67 2va1 h ASP 19 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 2va1 h ASP 19 CO 0.48 0.00 -0.30 0.77 -1.72 0.00 0.00 179.24 178.47 2va1 h SER 20 N 0.00 0.00 -3.57 6.45 4.64 -2.02 -3.42 113.55 115.62 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 0.21 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 61.97 2va1 h SER 20 CO 0.00 0.30 -0.73 -0.44 -0.87 0.00 0.00 176.83 175.09 2va1 s SER 21 N -6.47 0.10 0.39 4.97 0.01 -1.15 -5.04 113.70 106.52 2va1 s SER 21 Ca -0.01 0.02 0.10 0.00 1.31 0.00 0.00 55.95 57.37 2va1 s SER 21 Cb 0.12 -0.07 0.80 0.00 0.21 0.00 0.00 66.02 67.08 2va1 s SER 21 CO 0.67 -0.09 1.91 0.16 0.41 0.00 0.00 173.24 176.30 2va1 h ILE 22 N 6.01 1.18 -3.36 1.44 3.07 -1.83 -3.41 117.51 120.62 2va1 h ILE 22 Ca -0.40 -0.81 -0.54 0.00 1.55 0.00 0.00 64.86 64.65 2va1 h ILE 22 Cb 1.14 1.28 -0.34 0.00 -0.27 0.00 0.00 36.82 38.63 2va1 h ILE 22 CO 0.49 0.25 -0.82 -0.63 -1.05 0.00 0.00 178.15 176.38 2va1 s ILE 23 N -4.66 1.28 -0.18 0.16 1.01 -1.26 -4.30 121.20 113.24 2va1 s ILE 23 Ca -0.05 -0.54 -0.13 0.00 0.00 0.00 0.00 60.65 59.93 2va1 s ILE 23 Cb 0.15 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.40 2va1 s ILE 23 CO 0.73 0.39 0.25 -0.62 0.00 0.00 0.00 174.94 175.69 2va1 s ASP 24 N 0.80 6.35 0.22 3.58 -1.08 0.17 -4.96 116.67 121.75 2va1 s ASP 24 Ca -0.12 0.40 -0.03 0.00 -0.52 0.00 0.00 52.55 52.28 2va1 s ASP 24 Cb -0.16 -2.16 0.22 0.00 -1.46 0.00 0.00 42.92 39.36 2va1 s ASP 24 CO 0.02 0.09 1.64 2.19 0.52 0.00 0.00 175.17 179.63 2va1 h PHE 25 N 6.86 0.82 -0.08 -5.34 -5.15 -1.99 -2.30 116.94 109.76 2va1 h PHE 25 Ca -0.40 -0.19 -0.01 0.00 -0.20 0.00 0.00 57.97 57.17 2va1 h PHE 25 Cb 1.16 -0.20 -0.00 0.00 0.22 0.00 0.00 35.95 37.13 2va1 h PHE 25 CO 0.61 0.89 0.02 0.82 -2.00 0.00 0.00 178.31 178.65 2va1 h ILE 26 N 0.63 1.19 -0.36 0.88 1.08 -1.96 -1.10 117.51 117.86 2va1 h ILE 26 Ca 0.09 -0.57 -0.02 0.00 -0.39 0.00 0.00 64.86 63.97 2va1 h ILE 26 Cb 0.74 1.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.89 2va1 h ILE 26 CO 0.06 0.16 0.16 0.11 -0.69 0.00 0.00 178.15 177.95 2va1 h LYS 27 N -0.08 0.53 -0.11 2.37 1.57 -1.88 -0.72 116.57 118.25 2va1 h LYS 27 Ca 0.03 -0.09 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 2va1 h LYS 27 Cb 0.24 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2va1 h LYS 27 CO 0.00 0.50 -0.52 0.97 -0.57 0.00 0.00 179.45 179.83 2va1 h ILE 28 N 0.44 1.35 -0.36 1.86 2.10 -1.45 -1.91 117.51 119.55 2va1 h ILE 28 Ca 0.12 -1.78 -0.15 0.00 1.08 0.00 0.00 64.86 64.13 2va1 h ILE 28 Cb 0.16 1.84 -0.01 0.00 -1.09 0.00 0.00 36.82 37.72 2va1 h ILE 28 CO -0.01 0.53 -0.37 0.78 -1.08 0.00 0.00 178.15 178.00 2va1 h ASN 29 N 0.24 0.90 -0.42 2.19 2.35 -1.10 -0.81 115.58 118.93 2va1 h ASN 29 Ca 0.01 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.34 2va1 h ASN 29 Cb 1.00 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 2va1 h ASN 29 CO 0.08 1.17 0.22 0.44 -1.65 0.00 0.00 177.43 177.69 2va1 h ASP 30 N 0.70 0.54 -0.18 5.81 3.32 -1.03 0.08 116.42 125.66 2va1 h ASP 30 Ca 0.06 -0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.04 2va1 h ASP 30 Cb 0.94 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.32 2va1 h ASP 30 CO 0.09 0.50 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.98 2va1 h LEU 31 N 0.55 -0.19 -0.81 1.55 -0.00 -1.26 -2.12 115.31 113.03 2va1 h LEU 31 Ca 0.15 0.06 0.03 0.00 -0.00 0.00 0.00 57.88 58.11 2va1 h LEU 31 Cb 0.09 0.12 -0.05 0.00 -0.00 0.00 0.00 40.66 40.82 2va1 h LEU 31 CO -0.02 -0.07 0.52 0.00 -0.00 0.00 0.00 178.44 178.87 2va1 h ALA 32 N 1.16 1.06 -0.48 1.53 0.00 -0.88 -1.11 119.26 120.54 2va1 h ALA 32 Ca 0.09 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2va1 h ALA 32 Cb 0.15 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 2va1 h ALA 32 CO -0.19 0.35 0.22 0.93 0.00 0.00 0.00 179.25 180.56 2va1 h GLU 33 N 1.02 0.42 -0.33 0.00 5.08 -0.73 -0.01 114.58 120.02 2va1 h GLU 33 Ca 0.32 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 2va1 h GLU 33 Cb -0.01 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2va1 h GLU 33 CO -0.11 0.28 0.09 1.96 -1.00 0.00 0.00 179.01 180.23 2va1 h GLN 34 N 0.43 0.53 -0.88 2.33 4.20 -0.95 -2.79 115.11 117.97 2va1 h GLN 34 Ca 0.22 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.81 2va1 h GLN 34 Cb 0.16 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 2va1 h GLN 34 CO -0.18 0.57 0.58 0.82 -0.67 0.00 0.00 178.83 179.96 2va1 h ILE 35 N 0.39 1.23 -0.28 2.54 2.04 -0.97 -0.76 117.51 121.69 2va1 h ILE 35 Ca 0.11 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.60 2va1 h ILE 35 Cb 0.27 -0.07 -0.06 0.00 -0.74 0.00 0.00 36.82 36.23 2va1 h ILE 35 CO -0.00 0.22 -0.10 -0.08 0.00 0.00 0.00 178.15 178.20 2va1 h GLU 36 N 1.20 -0.04 -0.36 2.37 4.81 -0.85 0.14 114.58 121.86 2va1 h GLU 36 Ca 0.32 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.51 2va1 h GLU 36 Cb -0.13 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2va1 h GLU 36 CO -0.07 -0.03 0.04 0.87 -0.73 0.00 0.00 179.01 179.09 2va1 h LYS 37 N -0.04 0.61 -0.46 1.92 1.57 -1.21 -3.17 116.57 115.79 2va1 h LYS 37 Ca 0.14 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2va1 h LYS 37 Cb 0.25 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2va1 h LYS 37 CO -0.31 0.69 0.08 0.82 -0.57 0.00 0.00 179.45 180.16 2va1 h ILE 38 N 0.44 1.21 0.00 1.86 2.04 -0.84 -2.83 117.51 119.39 2va1 h ILE 38 Ca 0.11 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2va1 h ILE 38 Cb 0.39 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2va1 h ILE 38 CO 0.01 0.29 0.00 -1.54 0.00 0.00 0.00 178.15 176.91 2va1 n SER 39 N -4.27 0.49 0.14 1.72 3.41 0.46 -1.29 113.62 114.28 2va1 n SER 39 Ca 0.03 0.67 0.01 0.00 -0.26 0.00 0.00 58.87 59.33 2va1 n SER 39 Cb 0.24 -0.76 0.06 0.00 -0.26 0.00 0.00 64.21 63.49 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 -1.59 -3.36 116.57 117.52 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 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2va1 h LYS 40 CO 0.00 0.57 -1.32 1.63 -0.57 0.00 0.00 179.45 179.76 2va1 n LYS 41 N -3.32 0.98 -4.12 3.15 4.01 -0.65 -5.04 118.16 113.17 2va1 n LYS 41 Ca 0.01 -0.08 -0.13 0.00 -0.51 0.00 0.00 58.31 57.60 2va1 n LYS 41 Cb 0.72 -1.23 -0.11 0.00 -0.51 0.00 0.00 35.03 33.91 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 -2.66 0.85 -0.36 2.13 1.51 -0.41 -4.30 117.35 114.11 2va1 s TYR 42 Ca -0.02 -0.64 -0.25 0.00 -1.01 0.00 0.00 57.07 55.15 2va1 s TYR 42 Cb 0.08 -0.49 0.01 0.00 -0.11 0.00 0.00 41.96 41.45 2va1 s TYR 42 CO 0.49 -0.07 0.88 0.42 -1.11 0.00 0.00 175.55 176.15 2va1 s ILE 43 N -2.17 4.64 -0.23 2.71 -1.09 -0.44 -4.37 121.20 120.25 2va1 s ILE 43 Ca -0.00 1.13 -0.08 0.00 -2.23 0.00 0.00 60.65 59.46 2va1 s ILE 43 Cb -0.05 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.51 2va1 s ILE 43 CO -0.01 -0.48 0.09 -0.69 -1.23 0.00 0.00 174.94 172.62 2va1 s VAL 44 N 3.33 4.64 -0.17 2.92 1.01 -1.26 -1.45 120.40 129.42 2va1 s VAL 44 Ca 0.36 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 2va1 s VAL 44 Cb -0.12 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 2va1 s VAL 44 CO 0.17 0.37 -0.06 -0.44 0.00 0.00 0.00 175.10 175.14 2va1 s SER 45 N 1.18 4.47 -0.19 3.32 0.01 -0.27 -1.09 113.70 121.14 2va1 s SER 45 Ca 0.05 -0.25 -0.06 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 64.32 2va1 s SER 45 CO 0.04 0.11 0.03 -0.63 0.41 0.00 0.00 173.24 173.20 2va1 s ILE 46 N 0.70 4.36 -0.26 1.44 1.01 0.19 -0.33 121.20 128.30 2va1 s ILE 46 Ca -0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 2va1 s ILE 46 Cb -0.15 -2.97 0.02 0.00 0.01 0.00 0.00 42.46 39.38 2va1 s ILE 46 CO 0.02 0.44 -0.02 -0.69 0.00 0.00 0.00 174.94 174.69 2va1 s VAL 47 N 0.68 3.12 -0.04 2.92 1.01 -0.56 0.46 120.40 127.99 2va1 s VAL 47 Ca 0.01 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 2va1 s VAL 47 Cb -0.14 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2va1 s VAL 47 CO 0.02 0.14 0.13 -0.76 0.00 0.00 0.00 175.10 174.63 2va1 s LEU 48 N 1.35 4.18 0.65 3.92 1.43 -1.22 -0.84 118.68 128.16 2va1 s LEU 48 Ca 0.00 0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 2va1 s LEU 48 Cb -0.17 -2.34 0.10 0.00 0.03 0.00 0.00 46.19 43.82 2va1 s LEU 48 CO -0.03 0.31 0.90 -0.83 0.23 0.00 0.00 176.35 176.93 2va1 s GLY 49 N -1.60 1.76 -0.06 -3.19 0.00 -0.28 -4.87 107.32 99.09 2va1 s GLY 49 Ca 0.22 -1.83 0.08 0.00 0.00 0.00 0.00 44.72 43.19 2va1 s GLY 49 CO 0.13 -1.33 1.01 0.61 0.00 0.00 0.00 173.10 173.52 2va1 n GLY 50 N -2.57 2.41 0.34 0.20 0.00 -1.26 -4.03 105.19 100.28 2va1 n GLY 50 Ca 0.14 -0.50 0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.28 103.07 103.46 2va1 h GLY 51 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2va1 h GLY 51 CO 0.00 0.00 -0.04 3.45 0.00 0.00 0.00 176.54 179.95 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 0.09 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.32 2va1 h ASN 52 Cb 0.54 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.77 2va1 h ASN 52 CO -0.00 0.04 -1.48 -0.38 0.07 0.00 0.00 177.43 175.68 2va1 n ILE 53 N -3.16 0.47 -4.09 6.14 5.41 -0.29 -4.77 119.36 119.07 2va1 n ILE 53 Ca 0.00 -0.15 -0.16 0.00 1.00 0.00 0.00 62.75 63.44 2va1 n ILE 53 Cb 0.30 -1.16 -0.15 0.00 -0.71 0.00 0.00 39.64 37.92 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 -2.16 0.42 0.17 1.39 -0.11 0.85 -5.12 118.94 114.38 2va1 s TRP 54 Ca -0.12 -0.08 0.03 0.00 1.22 0.00 0.00 56.10 57.16 2va1 s TRP 54 Cb 0.04 -0.33 -0.05 0.00 -1.50 0.00 0.00 33.47 31.64 2va1 s TRP 54 CO 0.17 -0.05 -0.04 1.03 -4.62 0.00 0.00 176.95 173.45 2va1 s ARG 55 N 0.19 1.11 0.46 5.86 1.81 -1.26 -3.44 118.95 123.68 2va1 s ARG 55 Ca -0.02 -1.52 0.12 0.00 -1.72 0.00 0.00 55.73 52.59 2va1 s ARG 55 Cb -0.05 -0.43 1.05 0.00 -0.45 0.00 0.00 34.95 35.07 2va1 s ARG 55 CO -0.00 -0.05 2.09 0.78 -0.68 0.00 0.00 175.30 177.44 2va1 h GLY 56 N 2.70 0.28 1.44 -3.53 0.00 -1.98 -2.92 103.07 99.07 2va1 h GLY 56 Ca -0.37 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 2va1 h GLY 56 CO 0.64 0.11 -0.07 1.48 0.00 0.00 0.00 176.54 178.69 2va1 h SER 57 N 0.27 0.66 -0.05 0.19 4.64 -2.01 -2.81 113.55 114.44 2va1 h SER 57 Ca 0.07 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 61.08 2va1 h SER 57 Cb -0.00 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 2va1 h SER 57 CO -0.01 0.77 -0.42 0.40 -0.87 0.00 0.00 176.83 176.70 2va1 h ILE 58 N 0.63 1.30 -0.76 0.95 2.04 -1.94 -2.87 117.51 116.85 2va1 h ILE 58 Ca 0.12 -1.60 0.05 0.00 1.00 0.00 0.00 64.86 64.42 2va1 h ILE 58 Cb 0.50 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 2va1 h ILE 58 CO 0.03 0.51 0.47 0.00 0.00 0.00 0.00 178.15 179.15 2va1 h ALA 59 N 1.06 1.02 -0.30 1.87 0.00 -1.47 -1.37 119.26 120.08 2va1 h ALA 59 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2va1 h ALA 59 Cb 0.93 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2va1 h ALA 59 CO 0.08 0.22 0.13 0.87 0.00 0.00 0.00 179.25 180.56 2va1 h LYS 60 N 0.88 0.43 -0.67 0.00 1.79 -1.43 0.86 116.57 118.45 2va1 h LYS 60 Ca 0.32 -0.07 0.02 0.00 -2.18 0.00 0.00 60.65 58.75 2va1 h LYS 60 Cb 0.10 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.64 2va1 h LYS 60 CO -0.15 0.43 0.44 0.93 -1.08 0.00 0.00 179.45 180.02 2va1 h GLU 61 N 0.34 0.81 -0.21 3.15 5.08 -1.25 -1.97 114.58 120.53 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 0.14 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2va1 h GLU 61 CO -0.01 0.54 0.00 1.28 -1.00 0.00 0.00 179.01 179.82 2va1 n LEU 62 N -4.45 1.82 -3.74 1.33 4.77 -0.55 -4.93 117.00 111.25 2va1 n LEU 62 Ca 0.08 -0.79 -0.23 0.00 -0.03 0.00 0.00 56.01 55.04 2va1 n LEU 62 Cb 0.09 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2va1 n LEU 62 CO 0.35 0.39 -0.11 -0.67 -1.33 0.00 0.00 177.39 176.03 2va1 n ASP 63 N 0.43 -1.50 -4.56 -1.43 4.64 -0.74 -4.94 116.55 108.45 2va1 n ASP 63 Ca 0.16 -0.88 -0.36 0.00 -1.38 0.00 0.00 54.79 52.32 2va1 n ASP 63 Cb 0.34 -3.79 -0.11 0.00 -1.04 0.00 0.00 41.12 36.52 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 -6.06 3.87 0.77 -0.67 1.75 0.25 -5.04 119.30 114.17 2va1 s MET 64 Ca 0.06 -0.37 -0.11 0.00 -1.25 0.00 0.00 55.69 54.02 2va1 s MET 64 Cb -0.02 -3.42 0.06 0.00 2.84 0.00 0.00 34.83 34.29 2va1 s MET 64 CO 0.83 -0.04 1.09 0.16 -0.65 0.00 0.00 175.02 176.41 2va1 s ASP 65 N 1.28 4.51 0.23 1.11 1.47 -1.26 -4.69 116.67 119.32 2va1 s ASP 65 Ca 0.06 1.81 -0.07 0.00 1.18 0.00 0.00 52.55 55.53 2va1 s ASP 65 Cb -0.14 -2.52 0.21 0.00 -0.34 0.00 0.00 42.92 40.13 2va1 s ASP 65 CO 0.05 -2.03 1.87 -0.09 0.68 0.00 0.00 175.17 175.65 2va1 h ARG 66 N -1.13 1.25 -0.50 2.11 9.65 -1.98 -1.53 114.38 122.25 2va1 h ARG 66 Ca -0.44 -0.13 0.09 0.00 -1.10 0.00 0.00 59.98 58.41 2va1 h ARG 66 Cb 1.23 -0.25 -0.08 0.00 -1.39 0.00 0.00 29.97 29.48 2va1 h ARG 66 CO 0.51 0.89 0.05 -0.91 2.80 0.00 0.00 179.97 183.31 2va1 h ASN 67 N 1.26 -0.10 -0.10 -3.80 2.35 -1.99 -0.87 115.58 112.33 2va1 h ASN 67 Ca 0.32 0.10 -0.22 0.00 -0.55 0.00 0.00 56.30 55.96 2va1 h ASN 67 Cb -0.02 0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.53 2va1 h ASN 67 CO -0.06 -0.02 -0.80 0.25 -1.65 0.00 0.00 177.43 175.15 2va1 h LEU 68 N 0.18 0.88 -0.30 1.61 5.85 -1.85 -2.97 115.31 118.70 2va1 h LEU 68 Ca 0.25 -0.67 0.03 0.00 0.84 0.00 0.00 57.88 58.34 2va1 h LEU 68 Cb 0.37 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2va1 h LEU 68 CO -0.37 1.41 0.11 0.00 -0.34 0.00 0.00 178.44 179.24 2va1 h ALA 69 N 0.49 0.35 0.00 1.25 0.00 -0.91 -1.26 119.26 119.18 2va1 h ALA 69 Ca -0.07 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2va1 h ALA 69 Cb 1.44 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2va1 h ALA 69 CO 0.16 -0.29 -0.25 -0.44 0.00 0.00 0.00 179.25 178.43 2va1 h ASP 70 N 0.24 0.00 -0.62 0.00 3.32 -1.25 -2.40 116.42 115.71 2va1 h ASP 70 Ca 0.14 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 2va1 h ASP 70 Cb 0.10 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2va1 h ASP 70 CO -0.14 0.25 0.03 0.78 -1.72 0.00 0.00 179.24 178.44 2va1 h ASN 71 N 0.00 1.05 -0.46 6.45 -0.26 -1.15 -1.92 115.58 119.30 2va1 h ASN 71 Ca -0.00 -0.29 0.01 0.00 -0.56 0.00 0.00 56.30 55.46 2va1 h ASN 71 Cb 0.45 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 37.40 2va1 h ASN 71 CO 0.03 1.09 0.29 0.24 -1.06 0.00 0.00 177.43 178.01 2va1 h MET 72 N 0.99 0.56 -0.79 0.81 2.86 -0.80 -2.36 114.93 116.20 2va1 h MET 72 Ca 0.18 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 2va1 h MET 72 Cb 0.53 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 2va1 h MET 72 CO 0.03 0.37 0.52 0.78 1.06 0.00 0.00 176.91 179.67 2va1 h GLY 73 N 0.58 1.11 1.48 8.32 0.00 -1.25 -1.65 103.07 111.66 2va1 h GLY 73 Ca 0.18 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 46.97 2va1 h GLY 73 CO -0.07 0.37 -0.42 -0.33 0.00 0.00 0.00 176.54 176.09 2va1 h MET 74 N 1.02 0.57 -0.21 4.80 2.07 -0.95 -1.99 114.93 120.26 2va1 h MET 74 Ca 0.30 -0.30 -0.12 0.00 -2.07 0.00 0.00 59.70 57.51 2va1 h MET 74 Cb -0.04 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.69 2va1 h MET 74 CO -0.08 0.89 -0.40 1.98 1.07 0.00 0.00 176.91 180.37 2va1 h MET 75 N 0.47 0.48 -0.76 1.72 -1.53 -1.05 -2.77 114.93 111.49 2va1 h MET 75 Ca 0.04 -0.24 0.04 0.00 -3.44 0.00 0.00 59.70 56.10 2va1 h MET 75 Cb 0.93 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 31.94 2va1 h MET 75 CO 0.08 0.80 0.47 0.00 0.14 0.00 0.00 176.91 178.40 2va1 h ALA 76 N 1.17 1.01 -0.21 0.39 0.00 -0.99 -2.35 119.26 118.28 2va1 h ALA 76 Ca 0.04 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2va1 h ALA 76 Cb 0.88 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2va1 h ALA 76 CO 0.07 0.24 -0.20 1.79 0.00 0.00 0.00 179.25 181.15 2va1 h THR 77 N 0.90 1.24 -0.44 0.00 1.35 -1.20 -2.22 112.91 112.53 2va1 h THR 77 Ca 0.31 -1.09 -0.03 0.00 -0.55 0.00 0.00 66.41 65.05 2va1 h THR 77 Cb 0.07 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 67.77 2va1 h THR 77 CO -0.13 0.34 0.14 0.40 -0.25 0.00 0.00 175.52 176.02 2va1 h ILE 78 N 0.33 1.22 -0.12 6.82 2.04 -1.16 0.29 117.51 126.92 2va1 h ILE 78 Ca 0.06 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 65.22 2va1 h ILE 78 Cb 0.55 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 2va1 h ILE 78 CO 0.04 0.26 -0.05 0.40 0.00 0.00 0.00 178.15 178.80 2va1 h ILE 79 N 0.58 0.83 -0.82 -0.67 2.04 -1.21 -0.76 117.51 117.50 2va1 h ILE 79 Ca 0.14 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.01 2va1 h ILE 79 Cb 0.26 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2va1 h ILE 79 CO -0.01 0.00 0.54 0.78 0.00 0.00 0.00 178.15 179.46 2va1 h ASN 80 N -0.04 0.93 -0.84 1.72 2.35 -1.22 -2.19 115.58 116.31 2va1 h ASN 80 Ca 0.07 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2va1 h ASN 80 Cb 0.13 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 2va1 h ASN 80 CO -0.15 0.68 0.45 1.23 -1.65 0.00 0.00 177.43 177.99 2va1 h GLY 81 N 1.10 1.26 1.77 2.83 0.00 0.06 -1.06 103.07 109.05 2va1 h GLY 81 Ca 0.30 -0.58 -0.16 0.00 0.00 0.00 0.00 47.33 46.89 2va1 h GLY 81 CO -0.07 0.56 -0.66 1.41 0.00 0.00 0.00 176.54 177.78 2va1 h LEU 82 N 1.17 0.26 -0.32 3.11 3.38 -0.94 -1.66 115.31 120.32 2va1 h LEU 82 Ca 0.29 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2va1 h LEU 82 Cb 0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2va1 h LEU 82 CO -0.05 0.85 0.01 0.00 0.09 0.00 0.00 178.44 179.34 2va1 h ALA 83 N 1.15 0.42 -0.45 1.53 0.00 -1.08 -2.03 119.26 118.81 2va1 h ALA 83 Ca -0.01 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 2va1 h ALA 83 Cb 1.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2va1 h ALA 83 CO 0.10 0.17 -0.25 1.25 0.00 0.00 0.00 179.25 180.52 2va1 h LEU 84 N 0.35 0.96 -0.57 0.00 7.12 -1.14 -2.14 115.31 119.90 2va1 h LEU 84 Ca 0.09 -0.38 0.04 0.00 0.13 0.00 0.00 57.88 57.77 2va1 h LEU 84 Cb 0.42 -0.27 -0.05 0.00 -0.53 0.00 0.00 40.66 40.24 2va1 h LEU 84 CO 0.01 1.15 0.31 -0.08 -0.13 0.00 0.00 178.44 179.71 2va1 h GLU 85 N 0.80 0.59 -0.35 1.25 4.81 -1.28 -0.69 114.58 119.72 2va1 h GLU 85 Ca 0.10 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2va1 h GLU 85 Cb 0.81 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 2va1 h GLU 85 CO 0.07 0.39 0.11 -0.97 -0.73 0.00 0.00 179.01 177.88 2va1 h ASN 86 N 0.60 0.10 -0.76 1.04 -1.24 -1.15 0.12 115.58 114.29 2va1 h ASN 86 Ca 0.25 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.29 2va1 h ASN 86 Cb 0.12 0.04 -0.04 0.00 0.73 0.00 0.00 38.32 39.17 2va1 h ASN 86 CO -0.15 0.09 0.46 0.00 -1.29 0.00 0.00 177.43 176.55 2va1 h ALA 87 N 1.23 1.36 -0.01 1.57 0.00 -0.92 -2.53 119.26 119.97 2va1 h ALA 87 Ca 0.16 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 2va1 h ALA 87 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2va1 h ALA 87 CO -0.17 0.55 -0.86 -0.07 0.00 0.00 0.00 179.25 178.69 2va1 h LEU 88 N 1.06 0.32 -1.03 0.00 3.38 -0.73 -3.24 115.31 115.08 2va1 h LEU 88 Ca 0.28 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2va1 h LEU 88 Cb -0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2va1 h LEU 88 CO -0.05 1.04 0.25 0.78 0.09 0.00 0.00 178.44 180.55 2va1 h ASN 89 N 0.14 0.86 0.61 -0.43 2.35 -0.47 -1.90 115.58 116.76 2va1 h ASN 89 Ca -0.05 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2va1 h ASN 89 Cb 1.48 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.63 2va1 h ASN 89 CO 0.14 0.78 0.00 0.45 -1.65 0.00 0.00 177.43 177.15 2va1 h HIS 90 N 0.93 0.00 -0.67 1.19 3.86 -1.48 -1.32 115.15 117.65 2va1 h HIS 90 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 2va1 h HIS 90 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 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 -2.37 3.88 -2.05 2.43 4.77 -0.82 -4.96 117.00 117.88 2va1 n LEU 91 Ca 0.01 -2.04 -0.20 0.00 -0.03 0.00 0.00 56.01 53.75 2va1 n LEU 91 Cb 0.20 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 2va1 n LEU 91 CO 0.19 0.94 -0.24 0.59 -1.33 0.00 0.00 177.39 177.54 2va1 n ASN 92 N 1.43 -5.62 -4.68 -1.43 3.02 -0.50 -4.98 115.26 102.50 2va1 n ASN 92 Ca 0.23 0.14 -0.41 0.00 -0.03 0.00 0.00 54.58 54.51 2va1 n ASN 92 Cb 0.62 -4.72 -0.04 0.00 -0.61 0.00 0.00 39.78 35.03 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 -2.92 4.90 -0.17 2.41 1.01 -0.78 -5.01 120.40 119.84 2va1 s VAL 93 Ca 0.00 1.68 -0.29 0.00 0.00 0.00 0.00 61.98 63.37 2va1 s VAL 93 Cb 0.00 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2va1 s VAL 93 CO 0.00 0.08 1.67 0.21 0.00 0.00 0.00 175.10 177.05 2va1 s ASN 94 N 1.07 6.40 0.02 3.32 3.84 -1.26 -4.39 114.94 123.94 2va1 s ASN 94 Ca 0.40 1.81 -0.03 0.00 0.21 0.00 0.00 52.86 55.25 2va1 s ASN 94 Cb -0.17 -2.53 -0.01 0.00 -0.55 0.00 0.00 41.25 37.98 2va1 s ASN 94 CO 0.15 -1.21 0.04 0.28 -2.79 0.00 0.00 177.10 173.57 2va1 s THR 95 N 5.09 0.12 -0.03 -5.21 -1.32 -1.26 -0.90 115.64 112.13 2va1 s THR 95 Ca 0.74 -1.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.20 2va1 s THR 95 Cb -0.28 -0.60 0.01 0.00 -1.51 0.00 0.00 72.50 70.13 2va1 s THR 95 CO 0.30 -0.55 0.06 -0.51 -2.21 0.00 0.00 174.62 171.71 2va1 s ILE 96 N -2.00 -0.01 -0.30 5.08 2.07 -0.33 -4.90 121.20 120.81 2va1 s ILE 96 Ca -0.10 0.05 -0.18 0.00 -1.41 0.00 0.00 60.65 59.01 2va1 s ILE 96 Cb -0.05 -0.10 -0.02 0.00 0.13 0.00 0.00 42.46 42.42 2va1 s ILE 96 CO -0.02 0.02 0.50 -0.69 -1.91 0.00 0.00 174.94 172.83 2va1 s VAL 97 N 0.27 5.06 -0.23 4.00 1.01 -1.26 -0.74 120.40 128.51 2va1 s VAL 97 Ca -0.02 0.61 -0.03 0.00 0.00 0.00 0.00 61.98 62.54 2va1 s VAL 97 Cb -0.03 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2va1 s VAL 97 CO -0.01 -0.03 -0.05 -0.76 0.00 0.00 0.00 175.10 174.24 2va1 s LEU 98 N 2.32 2.96 -0.08 3.92 1.43 0.28 -2.46 118.68 127.06 2va1 s LEU 98 Ca 0.19 -0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 2va1 s LEU 98 Cb -0.16 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2va1 s LEU 98 CO 0.11 -0.06 -0.00 -0.55 0.23 0.00 0.00 176.35 176.08 2va1 s SER 99 N 1.42 5.19 0.50 2.29 0.15 0.67 -1.41 113.70 122.51 2va1 s SER 99 Ca 0.04 0.12 0.29 0.00 0.70 0.00 0.00 55.95 57.10 2va1 s SER 99 Cb -0.15 -1.44 1.07 0.00 -1.71 0.00 0.00 66.02 63.79 2va1 s SER 99 CO -0.04 0.37 1.88 0.00 1.20 0.00 0.00 173.24 176.64 2va1 h ALA 100 N 5.08 1.00 -3.20 5.45 0.00 -1.48 0.16 119.26 126.27 2va1 h ALA 100 Ca -0.51 -0.08 -0.65 0.00 0.00 0.00 0.00 54.91 53.68 2va1 h ALA 100 Cb 1.19 -0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.71 2va1 h ALA 100 CO 0.54 0.11 -0.72 0.42 0.00 0.00 0.00 179.25 179.60 2va1 s ILE 101 N -3.60 3.45 0.12 0.00 1.01 -1.26 -4.57 121.20 116.34 2va1 s ILE 101 Ca 0.02 -0.50 -0.31 0.00 0.00 0.00 0.00 60.65 59.86 2va1 s ILE 101 Cb 0.09 -2.51 -0.09 0.00 0.01 0.00 0.00 42.46 39.95 2va1 s ILE 101 CO 0.59 0.48 1.67 -0.75 0.00 0.00 0.00 174.94 176.93 2va1 s LYS 102 N 0.74 4.18 -0.49 2.79 2.20 -1.26 -4.89 119.74 123.01 2va1 s LYS 102 Ca -0.03 2.42 0.06 0.00 -0.36 0.00 0.00 55.97 58.05 2va1 s LYS 102 Cb -0.15 -3.44 0.22 0.00 -1.51 0.00 0.00 37.83 32.95 2va1 s LYS 102 CO 0.02 -0.72 0.84 0.00 -0.36 0.00 0.00 175.35 175.12 2va1 h ASP 104 N 4.43 0.00 0.90 0.00 3.45 -1.92 -0.82 116.42 122.45 2va1 h ASP 104 Ca -0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.41 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 0.15 0.00 0.00 0.11 -1.57 0.00 0.00 179.24 177.93 2va1 h LYS 105 N 0.00 0.00 0.00 3.56 1.57 -2.02 -3.36 116.57 116.32 2va1 h LYS 105 Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2va1 h LYS 105 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 2va1 h LYS 105 CO -0.00 0.00 -1.07 1.28 -0.57 0.00 0.00 179.45 179.09 2va1 n LEU 106 N -2.52 2.86 -4.05 2.94 4.77 -0.42 -5.11 117.00 115.46 2va1 n LEU 106 Ca 0.02 -0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 2va1 n LEU 106 Cb 0.27 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.23 2va1 n LEU 106 CO 0.23 0.50 -0.28 0.68 -1.33 0.00 0.00 177.39 177.19 2va1 s VAL 107 N -2.02 0.18 0.44 4.08 -7.23 -0.57 -5.06 120.40 110.21 2va1 s VAL 107 Ca -0.02 -1.68 -0.10 0.00 -1.81 0.00 0.00 61.98 58.37 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 0.03 -0.80 0.81 -1.00 -0.31 0.00 0.00 175.10 173.82 2va1 s HIS 108 N -3.93 3.49 0.02 2.82 3.76 -1.03 -4.05 115.29 116.37 2va1 s HIS 108 Ca 0.10 1.07 -0.21 0.00 -0.15 0.00 0.00 55.06 55.87 2va1 s HIS 108 Cb 0.07 -2.47 -0.06 0.00 1.11 0.00 0.00 32.58 31.23 2va1 s HIS 108 CO -0.08 -0.19 0.61 -2.00 -0.85 0.00 0.00 174.74 172.23 2va1 s GLU 109 N -4.07 4.32 0.31 1.40 2.12 -1.26 -0.24 118.70 121.28 2va1 s GLU 109 Ca 0.52 0.77 -0.28 0.00 0.36 0.00 0.00 54.97 56.34 2va1 s GLU 109 Cb -0.10 -3.32 -0.09 0.00 0.26 0.00 0.00 34.13 30.87 2va1 s GLU 109 CO 0.34 0.41 1.07 -1.54 -0.54 0.00 0.00 175.26 175.00 2va1 s SER 110 N -0.35 7.16 0.12 -1.70 1.04 0.57 -4.64 113.70 115.90 2va1 s SER 110 Ca 0.31 2.17 -0.25 0.00 0.48 0.00 0.00 55.95 58.66 2va1 s SER 110 Cb -0.19 -2.61 0.07 0.00 0.10 0.00 0.00 66.02 63.39 2va1 s SER 110 CO 0.18 -0.21 0.85 -0.94 0.98 0.00 0.00 173.24 174.10 2va1 s SER 111 N -1.11 -0.31 0.20 7.02 1.04 -1.26 -4.90 113.70 114.38 2va1 s SER 111 Ca 0.48 -0.25 -0.10 0.00 0.48 0.00 0.00 55.95 56.56 2va1 s SER 111 Cb -0.28 0.51 0.27 0.00 0.10 0.00 0.00 66.02 66.62 2va1 s SER 111 CO 0.36 -0.89 1.73 0.00 0.98 0.00 0.00 173.24 175.42 2va1 h ALA 112 N 2.00 0.73 -0.26 5.32 0.00 -2.00 -1.33 119.26 123.71 2va1 h ALA 112 Ca -0.24 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2va1 h ALA 112 Cb 1.25 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2va1 h ALA 112 CO 0.29 -0.25 0.10 -0.91 0.00 0.00 0.00 179.25 178.48 2va1 h ASN 113 N 0.33 0.37 0.34 0.00 2.35 -1.99 -2.32 115.58 114.66 2va1 h ASN 113 Ca 0.30 -0.17 -0.12 0.00 -0.55 0.00 0.00 56.30 55.76 2va1 h ASN 113 Cb 0.40 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 2va1 h ASN 113 CO -0.34 0.44 -0.50 0.78 -1.65 0.00 0.00 177.43 176.16 2va1 h ASN 114 N 0.27 0.20 -0.01 5.81 2.35 -1.82 0.02 115.58 122.41 2va1 h ASN 114 Ca 0.09 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2va1 h ASN 114 Cb 0.19 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 2va1 h ASN 114 CO -0.01 0.67 -0.00 0.40 -1.65 0.00 0.00 177.43 176.84 2va1 h ILE 115 N 0.15 1.32 -0.60 2.81 2.04 -1.25 -0.63 117.51 121.33 2va1 h ILE 115 Ca 0.01 -0.94 0.09 0.00 1.00 0.00 0.00 64.86 65.02 2va1 h ILE 115 Cb 0.94 1.93 -0.07 0.00 -0.74 0.00 0.00 36.82 38.88 2va1 h ILE 115 CO 0.07 0.24 0.22 0.50 0.00 0.00 0.00 178.15 179.19 2va1 h LYS 116 N -0.37 0.38 -0.75 2.37 3.64 -1.29 0.39 116.57 120.94 2va1 h LYS 116 Ca 0.00 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 2va1 h LYS 116 Cb 0.40 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 2va1 h LYS 116 CO 0.00 0.25 0.25 -0.22 -2.27 0.00 0.00 179.45 177.46 2va1 h LYS 117 N 0.40 1.15 -0.23 1.90 3.64 -0.95 -1.87 116.57 120.61 2va1 h LYS 117 Ca 0.30 -0.24 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 2va1 h LYS 117 Cb 0.38 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2va1 h LYS 117 CO -0.31 0.97 -0.36 0.00 -2.27 0.00 0.00 179.45 177.48 2va1 h ALA 118 N 1.15 0.94 -0.27 5.00 0.00 -0.42 -2.60 119.26 123.06 2va1 h ALA 118 Ca 0.24 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2va1 h ALA 118 Cb 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2va1 h ALA 118 CO -0.01 0.62 -0.15 0.82 0.00 0.00 0.00 179.25 180.53 2va1 h ILE 119 N 0.43 1.30 -0.63 0.00 2.04 -0.71 -0.63 117.51 119.30 2va1 h ILE 119 Ca 0.04 -1.26 0.05 0.00 1.00 0.00 0.00 64.86 64.70 2va1 h ILE 119 Cb 0.84 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 38.40 2va1 h ILE 119 CO 0.07 0.40 0.36 -0.33 0.00 0.00 0.00 178.15 178.65 2va1 h GLU 120 N 0.32 0.67 0.00 2.37 3.07 -1.31 -0.12 114.58 119.57 2va1 h GLU 120 Ca 0.06 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2va1 h GLU 120 Cb 0.67 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 2va1 h GLU 120 CO 0.04 0.44 0.00 1.63 -1.40 0.00 0.00 179.01 179.73 2va1 n LYS 121 N -4.77 0.20 -3.83 2.33 5.02 -0.98 -4.91 118.16 111.20 2va1 n LYS 121 Ca 0.07 0.10 -0.28 0.00 -2.02 0.00 0.00 58.31 56.18 2va1 n LYS 121 Cb 0.14 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.68 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 -5.69 -2.65 1.97 1.02 -0.06 -4.99 120.64 108.88 2va1 n GLU 122 Ca 0.09 0.63 -0.33 0.00 -0.02 0.00 0.00 57.16 57.53 2va1 n GLU 122 Cb 0.21 -5.47 -0.06 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 -6.44 4.11 -0.08 3.49 -0.21 -0.33 -4.90 119.66 115.30 2va1 s GLN 123 Ca 0.51 1.06 -0.30 0.00 0.02 0.00 0.00 55.36 56.66 2va1 s GLN 123 Cb -0.25 -2.16 -0.03 0.00 1.00 0.00 0.00 33.01 31.57 2va1 s GLN 123 CO 0.81 -0.14 1.17 0.08 -2.12 0.00 0.00 175.29 175.10 2va1 s VAL 124 N -2.34 4.34 -0.34 1.09 1.01 -0.08 -4.60 120.40 119.49 2va1 s VAL 124 Ca 0.61 1.65 -0.15 0.00 0.00 0.00 0.00 61.98 64.09 2va1 s VAL 124 Cb -0.10 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 2va1 s VAL 124 CO 0.20 -0.02 0.37 -0.04 0.00 0.00 0.00 175.10 175.61 2va1 s MET 125 N 2.34 3.61 -0.46 2.72 1.00 -0.25 -1.18 119.30 127.08 2va1 s MET 125 Ca 0.54 -0.36 -0.14 0.00 0.00 0.00 0.00 55.69 55.73 2va1 s MET 125 Cb -0.23 -3.79 0.07 0.00 0.00 0.00 0.00 34.83 30.88 2va1 s MET 125 CO 0.20 -0.51 0.36 0.42 0.00 0.00 0.00 175.02 175.49 2va1 s ILE 126 N 2.04 4.99 -0.03 2.53 1.01 0.08 0.54 121.20 132.37 2va1 s ILE 126 Ca 0.12 -1.13 -0.23 0.00 0.00 0.00 0.00 60.65 59.42 2va1 s ILE 126 Cb -0.16 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 2va1 s ILE 126 CO 0.12 -0.55 0.68 -0.36 0.00 0.00 0.00 174.94 174.82 2va1 s PHE 127 N 1.59 3.64 0.03 3.97 0.40 0.17 -0.55 117.98 127.23 2va1 s PHE 127 Ca 0.04 1.27 -0.00 0.00 -0.60 0.00 0.00 56.93 57.63 2va1 s PHE 127 Cb -0.24 -2.74 -0.02 0.00 0.51 0.00 0.00 43.02 40.53 2va1 s PHE 127 CO 0.06 0.21 -0.02 0.08 0.70 0.00 0.00 175.22 176.24 2va1 s VAL 128 N 0.32 0.13 -1.23 -0.44 1.01 -0.50 -3.39 120.40 116.30 2va1 s VAL 128 Ca 0.35 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2va1 s VAL 128 Cb -0.18 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.69 2va1 s VAL 128 CO 0.19 -0.59 0.00 0.00 0.00 0.00 0.00 175.10 174.69 2va1 n ALA 129 N 1.30 -0.24 -0.90 5.51 0.00 -1.26 -1.46 120.51 123.47 2va1 n ALA 129 Ca -0.22 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2va1 n ALA 129 Cb 0.56 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.35 3.98 0.60 0.00 0.00 -1.26 -1.65 105.19 105.52 2va1 n GLY 130 Ca -0.13 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.00 2.61 -2.24 -1.26 -4.49 114.28 107.90 2va1 n THR 131 Ca 0.00 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2va1 n THR 131 Cb 0.00 1.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 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 0.99 0.65 3.26 3.38 0.00 -0.66 -4.90 105.19 107.91 2va1 n GLY 132 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.61 1.86 0.92 1.61 0.40 -1.26 -5.01 117.98 113.89 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 -1.11 0.14 0.00 0.51 0.00 0.00 43.02 42.56 2va1 s PHE 133 CO 0.00 0.09 1.10 -1.25 0.70 0.00 0.00 175.22 175.86 2va1 s PRO 134 N -1.15 1.09 -0.81 0.24 0.04 -1.26 -4.19 135.00 128.96 2va1 s PRO 134 Ca 0.08 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.78 2va1 s PRO 134 Cb -0.09 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2va1 s PRO 134 CO 0.02 -2.31 0.00 0.66 0.04 0.00 0.00 177.00 175.40 2va1 n TYR 135 N -3.91 -0.25 -4.95 0.56 4.02 -1.26 -5.04 117.16 106.33 2va1 n TYR 135 Ca 0.06 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.65 2va1 n TYR 135 Cb 0.56 -2.05 -0.15 0.00 -0.02 0.00 0.00 39.34 37.69 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 -2.39 2.32 0.37 -0.72 0.40 -1.26 -5.14 117.98 111.57 2va1 s PHE 136 Ca 0.00 -0.42 0.06 0.00 -0.60 0.00 0.00 56.93 55.97 2va1 s PHE 136 Cb 0.00 -1.40 -0.00 0.00 0.51 0.00 0.00 43.02 42.13 2va1 s PHE 136 CO 0.00 0.11 0.53 0.95 0.70 0.00 0.00 175.22 177.51 2va1 s THR 137 N -0.79 3.78 0.34 0.64 -4.23 -1.26 -5.00 115.64 109.12 2va1 s THR 137 Ca 0.12 -0.93 0.04 0.00 -1.18 0.00 0.00 61.69 59.74 2va1 s THR 137 Cb -0.10 -3.31 0.29 0.00 1.34 0.00 0.00 72.50 70.72 2va1 s THR 137 CO 0.02 -0.13 1.92 0.74 -0.54 0.00 0.00 174.62 176.63 2va1 h THR 138 N 0.75 1.01 -0.49 3.99 2.02 -1.99 -2.21 112.91 115.99 2va1 h THR 138 Ca -0.44 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.42 2va1 h THR 138 Cb 1.26 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 2va1 h THR 138 CO 0.52 0.16 0.20 0.44 0.37 0.00 0.00 175.52 177.20 2va1 h ASP 139 N 0.85 0.67 -0.86 4.18 3.32 -1.98 -0.68 116.42 121.92 2va1 h ASP 139 Ca 0.37 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 2va1 h ASP 139 Cb 0.31 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 2va1 h ASP 139 CO -0.14 0.65 0.50 0.28 -1.72 0.00 0.00 179.24 178.81 2va1 h SER 140 N 0.64 1.05 -0.73 6.45 0.02 -1.83 -1.08 113.55 118.07 2va1 h SER 140 Ca 0.16 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 2va1 h SER 140 Cb 0.19 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 2va1 h SER 140 CO -0.01 0.83 0.24 0.00 -1.14 0.00 0.00 176.83 176.74 2va1 h ALA 142 N 1.12 1.26 -0.33 0.00 0.00 -0.61 0.65 119.26 121.35 2va1 h ALA 142 Ca 0.24 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2va1 h ALA 142 Cb 0.30 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2va1 h ALA 142 CO -0.01 0.65 0.01 0.00 0.00 0.00 0.00 179.25 179.90 2va1 h ALA 143 N 1.35 0.44 -0.51 0.00 0.00 -0.79 -0.92 119.26 118.83 2va1 h ALA 143 Ca 0.34 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2va1 h ALA 143 Cb -0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2va1 h ALA 143 CO -0.07 0.19 0.13 0.82 0.00 0.00 0.00 179.25 180.32 2va1 h ILE 144 N 0.38 1.24 -0.36 0.00 2.04 -0.94 -1.65 117.51 118.22 2va1 h ILE 144 Ca 0.09 -0.84 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 2va1 h ILE 144 Cb 0.43 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2va1 h ILE 144 CO 0.01 0.30 -0.13 0.03 0.00 0.00 0.00 178.15 178.37 2va1 h ARG 145 N 0.70 0.63 -0.10 2.37 2.47 -0.85 0.19 114.38 119.79 2va1 h ARG 145 Ca 0.16 -0.20 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 2va1 h ARG 145 Cb 0.32 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2va1 h ARG 145 CO 0.00 0.74 0.04 0.00 0.56 0.00 0.00 179.97 181.31 2va1 h ALA 146 N 1.29 0.13 -0.57 0.04 0.00 -0.91 -0.62 119.26 118.60 2va1 h ALA 146 Ca 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2va1 h ALA 146 Cb 0.55 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2va1 h ALA 146 CO 0.03 -0.29 0.23 0.00 0.00 0.00 0.00 179.25 179.22 2va1 h ALA 147 N 0.89 0.75 -0.71 0.00 0.00 -1.17 0.53 119.26 119.54 2va1 h ALA 147 Ca 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2va1 h ALA 147 Cb 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2va1 h ALA 147 CO -0.00 0.36 0.29 1.49 0.00 0.00 0.00 179.25 181.39 2va1 h GLU 148 N 0.79 1.04 -0.02 0.00 4.81 -0.86 -2.33 114.58 118.02 2va1 h GLU 148 Ca 0.19 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2va1 h GLU 148 Cb 0.20 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2va1 h GLU 148 CO -0.02 0.84 -0.03 0.25 -0.73 0.00 0.00 179.01 179.32 2va1 n THR 149 N -4.30 0.00 -3.68 0.32 -2.24 -0.25 -4.94 114.28 99.19 2va1 n THR 149 Ca 0.06 -0.25 -0.24 0.00 -2.27 0.00 0.00 64.05 61.35 2va1 n THR 149 Cb 0.17 0.55 0.06 0.00 -2.10 0.00 0.00 70.33 69.01 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 -6.62 -3.09 -0.78 1.02 -0.36 -4.98 120.64 106.00 2va1 n GLU 150 Ca 0.18 0.73 -0.39 0.00 -0.02 0.00 0.00 57.16 57.66 2va1 n GLU 150 Cb 0.37 -5.67 -0.05 0.00 -0.02 0.00 0.00 31.44 26.07 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 -3.63 6.94 0.00 1.62 0.01 0.17 -4.76 113.70 114.06 2va1 s SER 151 Ca 0.44 1.13 0.26 0.00 1.31 0.00 0.00 55.95 59.09 2va1 s SER 151 Cb -0.20 -2.39 0.78 0.00 0.21 0.00 0.00 66.02 64.41 2va1 s SER 151 CO 0.77 -0.10 1.61 -1.54 0.41 0.00 0.00 173.24 174.39 2va1 n SER 152 N 3.79 0.32 -3.82 2.44 3.41 -1.24 -4.46 113.62 114.07 2va1 n SER 152 Ca -0.02 0.05 -0.13 0.00 -0.26 0.00 0.00 58.87 58.51 2va1 n SER 152 Cb 0.51 -0.04 -0.14 0.00 -0.26 0.00 0.00 64.21 64.28 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 -3.00 -0.02 -0.20 -1.33 1.10 -1.26 -0.64 121.20 115.85 2va1 s ILE 153 Ca 0.12 0.06 -0.04 0.00 -0.51 0.00 0.00 60.65 60.28 2va1 s ILE 153 Cb 0.18 -0.12 -0.01 0.00 0.15 0.00 0.00 42.46 42.66 2va1 s ILE 153 CO 0.64 0.02 -0.05 -0.63 -2.11 0.00 0.00 174.94 172.81 2va1 s ILE 154 N 0.34 3.45 -0.42 2.00 1.01 0.51 -2.14 121.20 125.95 2va1 s ILE 154 Ca -0.03 -0.48 -0.29 0.00 0.00 0.00 0.00 60.65 59.86 2va1 s ILE 154 Cb -0.04 -2.55 0.02 0.00 0.01 0.00 0.00 42.46 39.90 2va1 s ILE 154 CO -0.01 0.44 1.22 -0.76 0.00 0.00 0.00 174.94 175.83 2va1 s LEU 155 N 1.21 3.69 -1.00 2.97 1.43 0.79 -0.69 118.68 127.07 2va1 s LEU 155 Ca 0.03 0.73 -0.10 0.00 -1.03 0.00 0.00 54.13 53.75 2va1 s LEU 155 Cb -0.14 -3.55 0.25 0.00 0.03 0.00 0.00 46.19 42.78 2va1 s LEU 155 CO -0.01 -1.23 0.97 -0.04 0.23 0.00 0.00 176.35 176.27 2va1 s MET 156 N 4.44 3.94 -0.04 1.70 -1.94 0.48 -1.61 119.30 126.27 2va1 s MET 156 Ca 0.52 -2.95 -0.30 0.00 -1.71 0.00 0.00 55.69 51.25 2va1 s MET 156 Cb -0.11 -4.48 -0.05 0.00 2.01 0.00 0.00 34.83 32.20 2va1 s MET 156 CO 0.29 -1.26 1.54 0.20 -0.01 0.00 0.00 175.02 175.78 2va1 s GLY 157 N 1.55 1.63 0.02 -0.03 0.00 -1.25 -2.54 107.32 106.69 2va1 s GLY 157 Ca 0.26 0.91 0.02 0.00 0.00 0.00 0.00 44.72 45.90 2va1 s GLY 157 CO -0.08 2.82 0.03 0.54 0.00 0.00 0.00 173.10 176.41 2va1 s LYS 158 N 3.37 2.84 -0.88 2.90 1.02 0.78 -4.80 119.74 124.97 2va1 s LYS 158 Ca 0.69 -0.62 -0.17 0.00 0.02 0.00 0.00 55.97 55.89 2va1 s LYS 158 Cb -0.32 -2.71 0.16 0.00 -0.52 0.00 0.00 37.83 34.44 2va1 s LYS 158 CO 0.27 0.61 0.98 -0.80 -0.92 0.00 0.00 175.35 175.50 2va1 s ASN 159 N -1.81 6.67 0.00 2.83 0.02 -1.26 -1.15 114.94 120.24 2va1 s ASN 159 Ca 0.22 -2.28 0.00 0.00 -1.02 0.00 0.00 52.86 49.78 2va1 s ASN 159 Cb -0.12 -2.32 0.00 0.00 0.02 0.00 0.00 41.25 38.83 2va1 s ASN 159 CO 0.14 -0.88 0.00 0.61 0.02 0.00 0.00 177.10 176.99 2va1 n GLY 160 N 4.90 1.45 3.63 0.66 0.00 -1.26 -5.03 105.19 109.53 2va1 n GLY 160 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.68 4.71 -0.15 1.61 1.01 -1.26 -5.00 120.40 119.65 2va1 s VAL 161 Ca 0.00 -0.06 0.28 0.00 0.00 0.00 0.00 61.98 62.20 2va1 s VAL 161 Cb 0.00 -3.12 0.31 0.00 0.00 0.00 0.00 36.38 33.57 2va1 s VAL 161 CO 0.00 0.47 1.85 0.44 0.00 0.00 0.00 175.10 177.86 2va1 h ASP 162 N 6.65 0.00 0.00 3.32 5.19 -1.91 -2.80 116.42 126.88 2va1 h ASP 162 Ca -0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 2va1 h ASP 162 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 2va1 h ASP 162 CO 0.70 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 177.43 2va1 n GLY 163 N -0.31 -0.76 3.43 2.75 0.00 -1.26 -3.80 105.19 105.24 2va1 n GLY 163 Ca 0.01 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.75 3.57 0.53 1.61 1.01 -1.26 -4.89 120.40 117.21 2va1 s VAL 164 Ca 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.54 2va1 s VAL 164 Cb 0.00 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.83 2va1 s VAL 164 CO 0.00 0.49 0.14 -0.31 0.00 0.00 0.00 175.10 175.42 2va1 s TYR 165 N 0.55 1.74 0.15 5.22 2.02 -1.26 -0.37 117.35 125.41 2va1 s TYR 165 Ca -0.05 -0.93 -0.17 0.00 -0.37 0.00 0.00 57.07 55.55 2va1 s TYR 165 Cb -0.15 -1.70 0.04 0.00 -0.40 0.00 0.00 41.96 39.75 2va1 s TYR 165 CO 0.03 -0.02 1.73 -0.44 -1.57 0.00 0.00 175.55 175.28 2va1 h ASP 166 N 1.13 0.02 0.00 2.29 3.45 -1.54 -3.46 116.42 118.30 2va1 h ASP 166 Ca -0.42 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.10 2va1 h ASP 166 Cb 1.32 0.07 0.00 0.00 -0.56 0.00 0.00 39.33 40.15 2va1 h ASP 166 CO 0.68 0.05 0.00 -1.54 -1.57 0.00 0.00 179.24 176.86 2va1 n SER 167 N -5.09 0.00 -3.67 6.45 3.41 -1.26 -4.98 113.62 108.48 2va1 n SER 167 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.53 2va1 n SER 167 Cb 0.14 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.99 2va1 n SER 167 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2va1 s ASP 168 N 0.00 -0.50 -0.30 4.04 -0.00 -1.26 -4.92 116.67 113.73 2va1 s ASP 168 Ca 0.00 1.04 -0.15 0.00 -0.00 0.00 0.00 52.55 53.45 2va1 s ASP 168 Cb 0.00 1.16 0.18 0.00 -0.00 0.00 0.00 42.92 44.26 2va1 s ASP 168 CO 0.00 -0.22 1.14 0.00 -0.00 0.00 0.00 175.17 176.10 2va1 s ALA 175 N 1.99 -4.26 -0.30 5.23 0.00 -1.26 -5.24 121.76 117.92 2va1 s ALA 175 Ca -0.06 1.39 -0.12 0.00 0.00 0.00 0.00 51.96 53.17 2va1 s ALA 175 Cb -0.10 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 2va1 s ALA 175 CO -0.14 -2.03 0.23 -0.65 0.00 0.00 0.00 175.76 173.17 2va1 s GLN 176 N 2.98 3.81 -0.01 0.00 -1.52 -1.26 -4.92 119.66 118.74 2va1 s GLN 176 Ca 0.24 -0.38 -0.30 0.00 -1.95 0.00 0.00 55.36 52.97 2va1 s GLN 176 Cb -0.02 -3.71 -0.04 0.00 -0.22 0.00 0.00 33.01 29.03 2va1 s GLN 176 CO -0.20 -0.28 1.16 0.12 -0.25 0.00 0.00 175.29 175.84 2va1 s PHE 177 N 1.79 3.36 -0.19 0.91 5.36 -1.26 -1.27 117.98 126.67 2va1 s PHE 177 Ca 0.08 1.33 -0.22 0.00 -0.96 0.00 0.00 56.93 57.16 2va1 s PHE 177 Cb -0.16 -3.36 -0.02 0.00 -0.34 0.00 0.00 43.02 39.13 2va1 s PHE 177 CO 0.11 -1.05 0.68 0.71 -1.46 0.00 0.00 175.22 174.21 2va1 s TYR 178 N 1.65 3.38 0.19 10.12 1.51 0.51 -4.94 117.35 129.77 2va1 s TYR 178 Ca 0.56 1.01 0.01 0.00 -1.01 0.00 0.00 57.07 57.63 2va1 s TYR 178 Cb -0.25 -2.86 0.10 0.00 -0.11 0.00 0.00 41.96 38.84 2va1 s TYR 178 CO 0.25 -0.20 1.46 0.93 -1.11 0.00 0.00 175.55 176.87 2va1 h GLU 179 N 7.47 0.31 -2.19 -0.62 4.39 -1.86 -3.41 114.58 118.67 2va1 h GLU 179 Ca -0.30 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.12 2va1 h GLU 179 Cb 1.14 0.05 -0.23 0.00 -0.10 0.00 0.00 28.75 29.62 2va1 h GLU 179 CO 0.79 0.91 -0.09 -1.58 -1.16 0.00 0.00 179.01 177.88 2va1 s HIS 180 N -3.58 -0.95 0.20 4.33 2.46 -1.26 -2.62 115.29 113.87 2va1 s HIS 180 Ca -0.05 1.90 0.04 0.00 0.47 0.00 0.00 55.06 57.43 2va1 s HIS 180 Cb 0.11 0.54 -0.05 0.00 -0.13 0.00 0.00 32.58 33.05 2va1 s HIS 180 CO 0.82 -0.49 -0.06 0.96 -2.47 0.00 0.00 174.74 173.51 2va1 s ILE 181 N 1.68 1.17 0.05 0.89 -4.36 -0.43 -4.98 121.20 115.21 2va1 s ILE 181 Ca -0.09 -2.06 0.02 0.00 -0.26 0.00 0.00 60.65 58.25 2va1 s ILE 181 Cb -0.07 -2.12 -0.04 0.00 1.25 0.00 0.00 42.46 41.48 2va1 s ILE 181 CO -0.18 -0.51 0.08 0.42 0.24 0.00 0.00 174.94 174.99 2va1 s THR 182 N -3.33 4.60 0.39 8.37 -4.23 -1.26 -2.24 115.64 117.94 2va1 s THR 182 Ca 0.23 -0.64 0.13 0.00 -1.18 0.00 0.00 61.69 60.23 2va1 s THR 182 Cb 0.04 -3.17 0.34 0.00 1.34 0.00 0.00 72.50 71.05 2va1 s THR 182 CO 0.05 0.20 1.89 -0.26 -0.54 0.00 0.00 174.62 175.97 2va1 h PHE 183 N 3.58 0.63 -0.47 3.99 -1.00 -1.90 0.15 116.94 121.92 2va1 h PHE 183 Ca -0.47 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.30 2va1 h PHE 183 Cb 1.17 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 40.51 2va1 h PHE 183 CO 0.62 0.23 0.17 -0.91 -1.61 0.00 0.00 178.31 176.81 2va1 h ASN 184 N 0.54 0.61 0.16 2.17 4.21 -1.95 -1.28 115.58 120.04 2va1 h ASN 184 Ca 0.41 -0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.85 2va1 h ASN 184 Cb 0.81 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.86 2va1 h ASN 184 CO -0.16 0.57 -0.08 0.80 -1.29 0.00 0.00 177.43 177.27 2va1 n MET 185 N -4.35 1.08 -0.37 0.81 1.56 0.33 -2.26 117.12 113.92 2va1 n MET 185 Ca 0.03 -0.48 0.08 0.00 -0.27 0.00 0.00 57.70 57.06 2va1 n MET 185 Cb 0.16 -1.49 0.25 0.00 2.15 0.00 0.00 33.22 34.29 2va1 n MET 185 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2va1 n ALA 186 N -0.54 2.71 0.00 -5.12 0.00 -0.12 -2.93 120.51 114.51 2va1 n ALA 186 Ca 0.17 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.55 2va1 n ALA 186 Cb 0.29 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2va1 n ALA 186 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2va1 n LEU 187 N 0.91 0.60 -0.20 0.00 -0.00 -1.22 -4.11 117.00 112.98 2va1 n LEU 187 Ca 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.17 2va1 n LEU 187 Cb 0.58 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 44.08 2va1 n LEU 187 CO 0.15 0.09 1.05 0.74 -0.00 0.00 0.00 177.39 179.42 2va1 h THR 188 N 0.00 0.94 0.00 1.47 2.02 -1.62 -0.65 112.91 115.06 2va1 h THR 188 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2va1 h THR 188 Cb 0.20 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2va1 h THR 188 CO 0.00 0.10 0.00 1.67 0.37 0.00 0.00 175.52 177.66 2va1 n GLN 189 N -4.85 0.75 -1.11 6.66 -0.06 -1.15 -4.89 117.38 112.73 2va1 n GLN 189 Ca 0.07 0.01 -0.04 0.00 -2.00 0.00 0.00 57.00 55.04 2va1 n GLN 189 Cb 0.17 -1.50 -0.02 0.00 -4.06 0.00 0.00 30.24 24.84 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 -1.08 -4.41 -4.40 1.69 2.85 -0.25 -5.01 115.26 104.65 2va1 n ASN 190 Ca 0.19 0.10 -0.29 0.00 -0.11 0.00 0.00 54.58 54.47 2va1 n ASN 190 Cb 0.13 -2.25 0.19 0.00 1.24 0.00 0.00 39.78 39.09 2va1 n ASN 190 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2va1 s LEU 191 N -0.88 1.45 -0.39 1.20 1.43 -1.26 -4.97 118.68 115.26 2va1 s LEU 191 Ca 0.00 0.90 0.10 0.00 -1.03 0.00 0.00 54.13 54.10 2va1 s LEU 191 Cb 0.00 -2.96 0.30 0.00 0.03 0.00 0.00 46.19 43.56 2va1 s LEU 191 CO 0.00 -3.32 0.62 2.29 0.23 0.00 0.00 176.35 176.17 2va1 n LYS 192 N -4.26 0.87 0.05 1.70 2.85 -1.26 -4.53 118.16 113.57 2va1 n LYS 192 Ca 0.08 -3.32 -0.13 0.00 -1.05 0.00 0.00 58.31 53.89 2va1 n LYS 192 Cb 0.59 -1.46 -0.09 0.00 -0.65 0.00 0.00 35.03 33.42 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 1.57 1.11 -4.24 0.58 2.07 -1.97 -3.45 116.25 111.92 2va1 h VAL 193 Ca 0.09 -0.69 -0.39 0.00 0.82 0.00 0.00 66.70 66.53 2va1 h VAL 193 Cb 0.91 1.55 -0.14 0.00 -1.52 0.00 0.00 31.29 32.10 2va1 h VAL 193 CO 0.49 0.17 -0.56 -0.04 0.02 0.00 0.00 177.57 177.65 2va1 s MET 194 N -4.91 1.54 0.77 1.57 -1.94 -1.26 -5.14 119.30 109.94 2va1 s MET 194 Ca -0.15 -1.87 -0.13 0.00 -1.71 0.00 0.00 55.69 51.83 2va1 s MET 194 Cb 0.03 0.05 0.06 0.00 2.01 0.00 0.00 34.83 36.98 2va1 s MET 194 CO 0.64 -0.47 1.16 0.16 -0.01 0.00 0.00 175.02 176.50 2va1 s ASP 195 N -3.33 4.07 0.36 3.03 -4.77 -1.26 -4.79 116.67 109.97 2va1 s ASP 195 Ca 0.37 2.18 0.08 0.00 -3.30 0.00 0.00 52.55 51.88 2va1 s ASP 195 Cb 0.05 -2.57 0.80 0.00 -1.09 0.00 0.00 42.92 40.12 2va1 s ASP 195 CO 0.18 -2.34 1.89 0.00 0.70 0.00 0.00 175.17 175.61 2va1 h ALA 196 N -0.76 1.81 -0.04 2.11 0.00 -1.99 -2.00 119.26 118.39 2va1 h ALA 196 Ca -0.46 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2va1 h ALA 196 Cb 1.27 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2va1 h ALA 196 CO 0.49 -0.02 0.02 1.15 0.00 0.00 0.00 179.25 180.89 2va1 h THR 197 N 0.70 1.10 -0.81 0.00 2.02 -2.00 -1.28 112.91 112.65 2va1 h THR 197 Ca 0.41 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 2va1 h THR 197 Cb 0.61 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.21 2va1 h THR 197 CO -0.17 0.09 0.35 0.00 0.37 0.00 0.00 175.52 176.15 2va1 h ALA 198 N 0.90 1.05 -0.21 6.16 0.00 -1.77 -1.43 119.26 123.96 2va1 h ALA 198 Ca 0.01 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2va1 h ALA 198 Cb 0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2va1 h ALA 198 CO -0.00 0.66 0.03 -0.07 0.00 0.00 0.00 179.25 179.87 2va1 h LEU 199 N 1.17 -0.02 -0.51 0.00 4.07 -1.25 -1.49 115.31 117.29 2va1 h LEU 199 Ca 0.27 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.25 2va1 h LEU 199 Cb 0.19 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 2va1 h LEU 199 CO -0.03 0.02 0.26 0.00 -1.08 0.00 0.00 178.44 177.61 2va1 h ALA 200 N 1.16 0.65 -0.51 1.53 0.00 -0.91 -1.44 119.26 119.75 2va1 h ALA 200 Ca 0.10 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2va1 h ALA 200 Cb 0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2va1 h ALA 200 CO -0.14 0.20 0.26 -0.07 0.00 0.00 0.00 179.25 179.50 2va1 h LEU 201 N 0.68 0.37 -0.48 0.00 -0.00 -1.14 -0.22 115.31 114.52 2va1 h LEU 201 Ca 0.18 0.03 -0.04 0.00 -0.00 0.00 0.00 57.88 58.05 2va1 h LEU 201 Cb 0.09 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 40.69 2va1 h LEU 201 CO -0.02 0.25 0.15 0.00 -0.00 0.00 0.00 178.44 178.82 2va1 h GLN 203 N 0.63 0.36 -0.99 0.00 4.20 -1.06 0.17 115.11 118.42 2va1 h GLN 203 Ca 0.15 -0.10 0.18 0.00 0.06 0.00 0.00 58.65 58.94 2va1 h GLN 203 Cb 0.26 -0.04 -0.10 0.00 0.30 0.00 0.00 27.48 27.90 2va1 h GLN 203 CO -0.01 0.52 0.60 1.49 -0.67 0.00 0.00 178.83 180.76 2va1 h GLU 204 N 0.14 0.77 -0.23 1.46 4.81 -1.02 -2.90 114.58 117.60 2va1 h GLU 204 Ca 0.06 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2va1 h GLU 204 Cb 0.34 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2va1 h GLU 204 CO 0.01 0.51 0.00 0.09 -0.73 0.00 0.00 179.01 178.88 2va1 n ASN 205 N -4.75 3.18 -3.73 1.04 3.02 -1.01 -5.00 115.26 108.01 2va1 n ASN 205 Ca 0.22 -2.56 -0.22 0.00 -0.03 0.00 0.00 54.58 51.99 2va1 n ASN 205 Cb 0.53 -0.36 0.03 0.00 -0.61 0.00 0.00 39.78 39.37 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 -0.26 -1.25 -4.62 6.41 4.13 -0.47 -4.98 115.26 114.22 2va1 n ASN 206 Ca 0.15 -0.83 -0.35 0.00 1.68 0.00 0.00 54.58 55.23 2va1 n ASN 206 Cb 0.63 -3.98 -0.10 0.00 -1.54 0.00 0.00 39.78 34.79 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 -3.68 4.89 0.26 2.41 1.01 0.47 -4.86 121.20 121.70 2va1 s ILE 207 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 2va1 s ILE 207 Cb -0.02 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 2va1 s ILE 207 CO 0.82 0.41 0.46 0.20 0.00 0.00 0.00 174.94 176.84 2va1 s ASN 208 N 0.71 6.38 0.01 3.58 0.01 0.19 -4.59 114.94 121.22 2va1 s ASN 208 Ca 0.05 0.47 0.03 0.00 -0.71 0.00 0.00 52.86 52.70 2va1 s ASN 208 Cb -0.13 -2.04 -0.03 0.00 0.41 0.00 0.00 41.25 39.46 2va1 s ASN 208 CO 0.02 -0.14 -0.06 -0.76 -1.51 0.00 0.00 177.10 174.65 2va1 s LEU 209 N -3.63 3.22 -0.39 0.60 1.43 -0.10 -0.36 118.68 119.44 2va1 s LEU 209 Ca 0.40 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.40 2va1 s LEU 209 Cb -0.10 -1.86 0.11 0.00 0.03 0.00 0.00 46.19 44.37 2va1 s LEU 209 CO 0.31 0.27 0.12 -0.76 0.23 0.00 0.00 176.35 176.52 2va1 s LEU 210 N -1.50 4.56 -0.12 1.79 1.02 0.13 -1.41 118.68 123.15 2va1 s LEU 210 Ca 0.18 -2.41 -0.21 0.00 0.02 0.00 0.00 54.13 51.71 2va1 s LEU 210 Cb -0.11 -1.61 -0.04 0.00 0.02 0.00 0.00 46.19 44.45 2va1 s LEU 210 CO 0.08 -0.33 0.60 -0.69 0.02 0.00 0.00 176.35 176.03 2va1 s VAL 211 N 0.55 5.09 0.27 -1.59 1.01 -0.21 -0.39 120.40 125.13 2va1 s VAL 211 Ca 0.13 1.19 -0.13 0.00 0.00 0.00 0.00 61.98 63.17 2va1 s VAL 211 Cb -0.21 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2va1 s VAL 211 CO -0.06 0.24 0.52 0.72 0.00 0.00 0.00 175.10 176.52 2va1 s PHE 212 N 1.04 0.36 -0.40 5.22 -0.12 -1.05 -0.99 117.98 122.05 2va1 s PHE 212 Ca 0.31 -0.74 -0.24 0.00 -0.05 0.00 0.00 56.93 56.21 2va1 s PHE 212 Cb -0.16 0.25 0.02 0.00 -0.63 0.00 0.00 43.02 42.49 2va1 s PHE 212 CO 0.13 -1.06 0.83 1.21 -0.05 0.00 0.00 175.22 176.28 2va1 s ASN 213 N -3.03 6.54 0.17 1.98 3.84 -1.06 -0.16 114.94 123.22 2va1 s ASN 213 Ca 0.22 0.27 0.24 0.00 0.21 0.00 0.00 52.86 53.80 2va1 s ASN 213 Cb -0.01 -2.41 0.29 0.00 -0.55 0.00 0.00 41.25 38.56 2va1 s ASN 213 CO 0.10 -0.84 1.30 -0.29 -2.79 0.00 0.00 177.10 174.58 2va1 h ILE 214 N 5.86 0.00 -0.03 -5.21 2.10 -1.42 -3.33 117.51 115.48 2va1 h ILE 214 Ca -0.24 -0.65 -0.06 0.00 1.08 0.00 0.00 64.86 65.00 2va1 h ILE 214 Cb 1.09 1.26 -0.01 0.00 -1.09 0.00 0.00 36.82 38.07 2va1 h ILE 214 CO 0.95 0.00 -0.24 0.44 -1.08 0.00 0.00 178.15 178.22 2va1 h ASP 215 N 0.00 0.05 -4.02 2.19 3.32 -1.92 -3.44 116.42 112.59 2va1 h ASP 215 Ca 0.00 -0.01 -0.53 0.00 0.02 0.00 0.00 57.03 56.51 2va1 h ASP 215 Cb 0.82 -0.01 0.10 0.00 0.22 0.00 0.00 39.33 40.46 2va1 h ASP 215 CO 0.00 0.29 0.56 -0.54 -1.72 0.00 0.00 179.24 177.84 2va1 s LYS 216 N -4.49 3.44 0.28 3.56 1.02 -1.25 -4.95 119.74 117.34 2va1 s LYS 216 Ca -0.04 2.06 -0.30 0.00 0.02 0.00 0.00 55.97 57.71 2va1 s LYS 216 Cb 0.15 -2.36 -0.12 0.00 -0.52 0.00 0.00 37.83 34.99 2va1 s LYS 216 CO 0.72 -0.89 1.64 -2.14 -0.92 0.00 0.00 175.35 173.75 2va1 s PRO 217 N -2.77 4.11 -1.92 -1.68 0.02 -1.26 -2.59 135.00 128.91 2va1 s PRO 217 Ca 0.67 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.30 2va1 s PRO 217 Cb -0.36 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.14 2va1 s PRO 217 CO 0.43 -0.68 0.00 -1.71 -0.33 0.00 0.00 177.00 174.71 2va1 n ASN 218 N 2.56 -5.39 -0.14 2.53 4.05 -1.26 -4.91 115.26 112.70 2va1 n ASN 218 Ca 0.10 0.33 -0.06 0.00 0.45 0.00 0.00 54.58 55.40 2va1 n ASN 218 Cb 0.37 -4.53 0.03 0.00 1.23 0.00 0.00 39.78 36.87 2va1 n ASN 218 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2va1 h ALA 219 N 0.28 0.57 -0.35 5.20 0.00 -1.79 -0.72 119.26 122.45 2va1 h ALA 219 Ca -0.41 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 2va1 h ALA 219 Cb 1.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2va1 h ALA 219 CO 0.57 -0.11 -0.05 0.82 0.00 0.00 0.00 179.25 180.48 2va1 h ILE 220 N 0.47 1.27 -0.42 0.00 2.04 -1.89 -1.80 117.51 117.19 2va1 h ILE 220 Ca 0.19 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 2va1 h ILE 220 Cb 0.08 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 2va1 h ILE 220 CO -0.12 0.36 0.22 0.58 0.00 0.00 0.00 178.15 179.18 2va1 h VAL 221 N 0.45 1.17 -0.69 1.67 2.07 -1.85 -3.13 116.25 115.94 2va1 h VAL 221 Ca 0.09 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 67.08 2va1 h VAL 221 Cb 0.54 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2va1 h VAL 221 CO 0.03 0.18 0.15 0.44 0.02 0.00 0.00 177.57 178.39 2va1 h ASP 222 N 0.55 1.06 0.61 0.57 3.32 -0.97 -2.85 116.42 118.70 2va1 h ASP 222 Ca 0.15 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 2va1 h ASP 222 Cb 0.09 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2va1 h ASP 222 CO -0.02 1.03 -0.39 -0.37 -1.72 0.00 0.00 179.24 177.77 2va1 h VAL 223 N 1.05 1.06 0.00 -1.35 -1.51 -1.34 0.21 116.25 114.37 2va1 h VAL 223 Ca 0.21 -1.43 -0.01 0.00 -1.23 0.00 0.00 66.70 64.24 2va1 h VAL 223 Cb 0.40 1.82 -0.00 0.00 -2.13 0.00 0.00 31.29 31.38 2va1 h VAL 223 CO 0.01 0.38 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.59 2va1 h LEU 224 N 0.00 0.00 -2.63 4.19 3.38 -1.46 -2.47 115.31 116.32 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 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2va1 h LEU 224 CO 0.05 0.07 0.00 -0.62 0.09 0.00 0.00 178.44 178.03 2va1 n GLU 225 N -3.13 2.80 -2.44 1.13 1.02 -0.83 -4.96 120.64 114.23 2va1 n GLU 225 Ca 0.03 -2.54 -0.20 0.00 -0.02 0.00 0.00 57.16 54.43 2va1 n GLU 225 Cb 0.48 -1.60 -0.01 0.00 -0.02 0.00 0.00 31.44 30.29 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 1.44 -1.91 0.04 3.49 5.02 -0.50 -4.92 118.16 120.82 2va1 n LYS 226 Ca 0.23 0.98 -0.09 0.00 -2.02 0.00 0.00 58.31 57.41 2va1 n LYS 226 Cb 0.64 -5.65 -0.13 0.00 -0.02 0.00 0.00 35.03 29.86 2va1 n LYS 226 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2va1 h LYS 227 N -0.08 0.04 0.00 1.97 1.57 -0.89 -3.48 116.57 115.70 2va1 h LYS 227 Ca -0.48 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2va1 h LYS 227 Cb 1.36 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.69 2va1 h LYS 227 CO 0.57 0.87 0.00 0.09 -0.57 0.00 0.00 179.45 180.41 2va1 n ASN 228 N -3.28 1.34 -4.69 0.86 5.03 -1.26 -5.05 115.26 108.22 2va1 n ASN 228 Ca -0.07 -0.09 -0.42 0.00 0.87 0.00 0.00 54.58 54.87 2va1 n ASN 228 Cb 0.99 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.72 2va1 n ASN 228 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2va1 s LYS 229 N 1.34 4.42 0.14 3.52 2.20 -1.26 -5.03 119.74 125.06 2va1 s LYS 229 Ca 0.00 1.30 -0.16 0.00 -0.36 0.00 0.00 55.97 56.75 2va1 s LYS 229 Cb 0.00 -3.53 0.03 0.00 -1.51 0.00 0.00 37.83 32.82 2va1 s LYS 229 CO 0.00 -0.26 0.41 1.52 -0.36 0.00 0.00 175.35 176.65 2va1 s TYR 230 N 1.84 -0.14 -0.08 4.03 1.13 -1.25 -4.56 117.35 118.33 2va1 s TYR 230 Ca 0.46 -0.19 0.05 0.00 -1.41 0.00 0.00 57.07 55.98 2va1 s TYR 230 Cb -0.18 0.25 -0.01 0.00 -1.10 0.00 0.00 41.96 40.92 2va1 s TYR 230 CO 0.18 -0.73 -0.24 0.99 -2.51 0.00 0.00 175.55 173.24 2va1 s THR 231 N -3.83 2.09 -0.08 -3.49 2.01 -0.16 -4.78 115.64 107.41 2va1 s THR 231 Ca 0.05 -1.03 -0.17 0.00 0.31 0.00 0.00 61.69 60.84 2va1 s THR 231 Cb 0.02 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 2va1 s THR 231 CO -0.10 0.56 0.46 -0.63 -0.69 0.00 0.00 174.62 174.23 2va1 s ILE 232 N 0.07 5.12 -0.17 1.82 1.01 -1.08 -1.04 121.20 126.94 2va1 s ILE 232 Ca -0.11 0.93 0.01 0.00 0.00 0.00 0.00 60.65 61.49 2va1 s ILE 232 Cb -0.16 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.54 2va1 s ILE 232 CO 0.06 0.40 -0.20 -0.69 0.00 0.00 0.00 174.94 174.51 2va1 s VAL 233 N 0.09 2.04 0.05 2.92 1.01 -0.50 -1.32 120.40 124.69 2va1 s VAL 233 Ca 0.25 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 2va1 s VAL 233 Cb -0.16 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.40 2va1 s VAL 233 CO 0.11 0.54 0.08 -1.54 0.00 0.00 0.00 175.10 174.29 2va1 n SER 234 N 4.44 -0.23 0.00 3.32 3.41 -0.95 -0.92 113.62 122.69 2va1 n SER 234 Ca -0.21 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.17 2va1 n SER 234 Cb 0.51 0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 2va1 n SER 234 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17