#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2va1 n LYS 3 N 0.00 0.00 -0.14 5.56 4.81 -1.26 -4.64 118.16 122.49 2va1 n LYS 3 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2va1 n LYS 3 Cb 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 35.03 34.70 2va1 n LYS 3 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2va1 n GLN 4 N -3.03 0.59 -4.65 1.64 -0.06 -1.26 -4.28 117.38 106.33 2va1 n GLN 4 Ca 0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.66 2va1 n GLN 4 Cb 0.25 -1.21 -0.12 0.00 -4.06 0.00 0.00 30.24 25.11 2va1 n GLN 4 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 2va1 s ARG 5 N 0.60 2.96 0.09 3.69 0.52 -1.26 -2.49 118.95 123.07 2va1 s ARG 5 Ca 0.00 -0.58 0.06 0.00 -0.52 0.00 0.00 55.73 54.68 2va1 s ARG 5 Cb 0.00 -2.62 -0.03 0.00 0.52 0.00 0.00 34.95 32.82 2va1 s ARG 5 CO 0.00 0.52 -0.15 0.96 0.02 0.00 0.00 175.30 176.65 2va1 s ILE 6 N -0.43 1.27 -0.17 1.52 -4.36 -0.64 -3.56 121.20 114.83 2va1 s ILE 6 Ca 0.06 -1.46 -0.03 0.00 -0.26 0.00 0.00 60.65 58.96 2va1 s ILE 6 Cb -0.12 -1.28 -0.02 0.00 1.25 0.00 0.00 42.46 42.29 2va1 s ILE 6 CO 0.02 -0.26 -0.06 -0.69 0.24 0.00 0.00 174.94 174.20 2va1 s VAL 7 N -1.51 3.56 -0.29 8.37 1.01 -0.94 -1.05 120.40 129.55 2va1 s VAL 7 Ca 0.02 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 2va1 s VAL 7 Cb -0.09 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.74 2va1 s VAL 7 CO 0.03 0.48 0.08 -0.63 0.00 0.00 0.00 175.10 175.06 2va1 s ILE 8 N 0.65 4.08 -0.36 2.22 1.01 0.63 -0.20 121.20 129.23 2va1 s ILE 8 Ca -0.04 -0.57 -0.26 0.00 0.00 0.00 0.00 60.65 59.78 2va1 s ILE 8 Cb -0.15 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.27 2va1 s ILE 8 CO 0.02 0.13 0.95 -0.75 0.00 0.00 0.00 174.94 175.29 2va1 s LYS 9 N 1.53 3.87 -0.34 2.79 2.20 -0.65 -1.45 119.74 127.68 2va1 s LYS 9 Ca 0.04 0.64 -0.02 0.00 -0.36 0.00 0.00 55.97 56.27 2va1 s LYS 9 Cb -0.17 -3.79 0.08 0.00 -1.51 0.00 0.00 37.83 32.43 2va1 s LYS 9 CO 0.03 -0.94 0.08 0.42 -0.36 0.00 0.00 175.35 174.57 2va1 s ILE 10 N 3.51 3.03 0.82 5.43 1.01 0.12 -3.85 121.20 131.27 2va1 s ILE 10 Ca 0.39 -1.71 -0.11 0.00 0.00 0.00 0.00 60.65 59.22 2va1 s ILE 10 Cb -0.12 -2.91 0.09 0.00 0.01 0.00 0.00 42.46 39.53 2va1 s ILE 10 CO 0.18 -0.36 1.10 -0.94 0.00 0.00 0.00 174.94 174.92 2va1 s SER 11 N 1.42 4.00 0.30 3.58 1.04 -1.26 -1.13 113.70 121.65 2va1 s SER 11 Ca 0.01 1.83 0.03 0.00 0.48 0.00 0.00 55.95 58.30 2va1 s SER 11 Cb -0.21 -2.47 0.61 0.00 0.10 0.00 0.00 66.02 64.05 2va1 s SER 11 CO -0.03 -2.36 1.86 1.23 0.98 0.00 0.00 173.24 174.92 2va1 h GLY 12 N -1.35 1.48 1.25 7.32 0.00 -1.91 -2.53 103.07 107.32 2va1 h GLY 12 Ca -0.45 -0.39 0.09 0.00 0.00 0.00 0.00 47.33 46.58 2va1 h GLY 12 CO 0.50 0.17 0.29 0.00 0.00 0.00 0.00 176.54 177.51 2va1 h ALA 13 N 1.55 2.04 0.00 3.60 0.00 -1.92 -1.01 119.26 123.53 2va1 h ALA 13 Ca 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2va1 h ALA 13 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2va1 h ALA 13 CO -0.23 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.58 2va1 n LEU 15 N -2.95 1.55 -4.35 0.00 4.32 -0.38 -4.63 117.00 110.56 2va1 n LEU 15 Ca 0.00 -0.70 -0.32 0.00 -0.02 0.00 0.00 56.01 54.97 2va1 n LEU 15 Cb 0.25 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 41.90 2va1 n LEU 15 CO 0.24 0.30 -0.53 -0.75 -1.22 0.00 0.00 177.39 175.44 2va1 s LYS 16 N -2.22 2.44 -0.21 3.23 2.20 -1.15 0.38 119.74 124.41 2va1 s LYS 16 Ca 0.13 -0.84 -0.16 0.00 -0.36 0.00 0.00 55.97 54.74 2va1 s LYS 16 Cb 0.14 -2.21 -0.09 0.00 -1.51 0.00 0.00 37.83 34.16 2va1 s LYS 16 CO 0.52 0.50 -0.26 1.04 -0.36 0.00 0.00 175.35 176.78 2va1 n GLN 17 N 2.64 0.54 -4.14 4.03 1.13 -1.26 -4.92 117.38 115.39 2va1 n GLN 17 Ca -0.17 0.32 -0.15 0.00 -1.94 0.00 0.00 57.00 55.06 2va1 n GLN 17 Cb 0.52 -1.53 -0.06 0.00 0.11 0.00 0.00 30.24 29.28 2va1 n GLN 17 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2va1 s ASN 18 N -6.53 0.89 0.40 1.08 6.03 -1.26 -5.06 114.94 110.49 2va1 s ASN 18 Ca -0.30 -1.48 0.28 0.00 -1.03 0.00 0.00 52.86 50.33 2va1 s ASN 18 Cb 0.08 0.59 1.33 0.00 -3.03 0.00 0.00 41.25 40.21 2va1 s ASN 18 CO 0.44 -1.16 1.85 0.44 -2.03 0.00 0.00 177.10 176.64 2va1 h ASP 19 N 2.21 0.00 0.63 3.54 3.32 -2.00 -2.99 116.42 121.12 2va1 h ASP 19 Ca -0.28 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.72 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 -0.23 0.77 -1.72 0.00 0.00 179.24 178.46 2va1 h SER 20 N 0.00 0.00 -3.42 6.45 4.64 -2.02 -3.42 113.55 115.78 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 0.25 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.00 2va1 h SER 20 CO 0.00 0.23 -0.67 -0.55 -0.87 0.00 0.00 176.83 174.97 2va1 s SER 21 N -6.31 0.19 0.39 4.97 0.15 -1.13 -5.04 113.70 106.92 2va1 s SER 21 Ca -0.01 0.17 0.09 0.00 0.70 0.00 0.00 55.95 56.90 2va1 s SER 21 Cb 0.12 0.05 0.79 0.00 -1.71 0.00 0.00 66.02 65.27 2va1 s SER 21 CO 0.64 -0.16 1.93 0.16 1.20 0.00 0.00 173.24 177.01 2va1 h ILE 22 N 6.24 1.17 -3.33 6.45 3.07 -1.83 -3.41 117.51 125.86 2va1 h ILE 22 Ca -0.38 -0.70 -0.55 0.00 1.55 0.00 0.00 64.86 64.78 2va1 h ILE 22 Cb 1.13 1.12 -0.34 0.00 -0.27 0.00 0.00 36.82 38.46 2va1 h ILE 22 CO 0.39 0.23 -0.82 -0.63 -1.05 0.00 0.00 178.15 176.26 2va1 s ILE 23 N -4.82 1.30 -0.19 0.16 1.01 -1.26 -4.31 121.20 113.08 2va1 s ILE 23 Ca -0.06 -0.54 -0.13 0.00 0.00 0.00 0.00 60.65 59.93 2va1 s ILE 23 Cb 0.16 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 2va1 s ILE 23 CO 0.73 0.40 0.25 -0.62 0.00 0.00 0.00 174.94 175.70 2va1 s ASP 24 N 0.89 6.32 0.23 3.58 -1.08 0.16 -4.96 116.67 121.81 2va1 s ASP 24 Ca -0.10 0.36 -0.03 0.00 -0.52 0.00 0.00 52.55 52.26 2va1 s ASP 24 Cb -0.15 -2.16 0.24 0.00 -1.46 0.00 0.00 42.92 39.39 2va1 s ASP 24 CO 0.01 0.07 1.67 2.19 0.52 0.00 0.00 175.17 179.63 2va1 h PHE 25 N 7.00 0.85 -0.38 -5.34 -5.15 -1.99 -2.19 116.94 109.73 2va1 h PHE 25 Ca -0.39 -0.17 -0.11 0.00 -0.20 0.00 0.00 57.97 57.10 2va1 h PHE 25 Cb 1.16 -0.21 -0.01 0.00 0.22 0.00 0.00 35.95 37.11 2va1 h PHE 25 CO 0.63 0.87 -0.18 0.97 -2.00 0.00 0.00 178.31 178.60 2va1 h ILE 26 N 0.68 1.28 -0.31 0.88 2.10 -1.96 -1.14 117.51 119.04 2va1 h ILE 26 Ca 0.10 -1.31 -0.05 0.00 1.08 0.00 0.00 64.86 64.69 2va1 h ILE 26 Cb 0.66 1.31 -0.01 0.00 -1.09 0.00 0.00 36.82 37.69 2va1 h ILE 26 CO 0.05 0.43 0.01 0.11 -1.08 0.00 0.00 178.15 177.67 2va1 h LYS 27 N 0.60 0.54 -0.20 2.19 1.57 -1.88 -0.83 116.57 118.55 2va1 h LYS 27 Ca 0.09 -0.16 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 2va1 h LYS 27 Cb 0.73 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2va1 h LYS 27 CO 0.05 0.66 -0.45 0.97 -0.57 0.00 0.00 179.45 180.12 2va1 h ILE 28 N 0.34 1.31 -0.27 1.86 2.10 -1.43 -1.83 117.51 119.59 2va1 h ILE 28 Ca 0.09 -1.65 -0.14 0.00 1.08 0.00 0.00 64.86 64.24 2va1 h ILE 28 Cb 0.42 1.65 -0.01 0.00 -1.09 0.00 0.00 36.82 37.79 2va1 h ILE 28 CO 0.01 0.51 -0.42 0.78 -1.08 0.00 0.00 178.15 177.96 2va1 h ASN 29 N 0.40 0.71 -0.52 2.19 -0.26 -1.16 -0.81 115.58 116.13 2va1 h ASN 29 Ca 0.03 -0.33 -0.02 0.00 -0.56 0.00 0.00 56.30 55.42 2va1 h ASN 29 Cb 0.95 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.99 2va1 h ASN 29 CO 0.08 1.04 0.24 -0.78 -1.06 0.00 0.00 177.43 176.95 2va1 h ASP 30 N 0.54 0.68 -0.38 5.81 3.58 -1.03 -0.31 116.42 125.30 2va1 h ASP 30 Ca 0.04 -0.14 0.01 0.00 0.42 0.00 0.00 57.03 57.36 2va1 h ASP 30 Cb 0.95 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.80 2va1 h ASP 30 CO 0.09 0.63 0.24 -0.07 -2.88 0.00 0.00 179.24 177.24 2va1 h LEU 31 N 0.69 0.40 -0.69 2.28 3.38 -1.21 -2.17 115.31 117.99 2va1 h LEU 31 Ca 0.18 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.18 2va1 h LEU 31 Cb 0.13 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 2va1 h LEU 31 CO -0.02 0.29 0.42 0.00 0.09 0.00 0.00 178.44 179.22 2va1 h ALA 32 N 1.15 0.90 -0.75 1.53 0.00 -0.91 -0.95 119.26 120.23 2va1 h ALA 32 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2va1 h ALA 32 Cb -0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2va1 h ALA 32 CO -0.05 0.17 0.48 0.93 0.00 0.00 0.00 179.25 180.79 2va1 h GLU 33 N 0.81 1.00 -0.43 0.00 5.08 -0.82 0.14 114.58 120.37 2va1 h GLU 33 Ca 0.28 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 2va1 h GLU 33 Cb 0.05 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 2va1 h GLU 33 CO -0.12 0.68 0.09 1.96 -1.00 0.00 0.00 179.01 180.62 2va1 h GLN 34 N 1.02 0.70 -0.83 2.33 4.20 -1.03 -2.78 115.11 118.72 2va1 h GLN 34 Ca 0.27 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 2va1 h GLN 34 Cb -0.08 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 2va1 h GLN 34 CO -0.06 0.72 0.38 0.82 -0.67 0.00 0.00 178.83 180.02 2va1 h ILE 35 N 0.56 1.26 -0.30 2.54 2.04 -0.88 -1.03 117.51 121.71 2va1 h ILE 35 Ca 0.13 -0.77 0.07 0.00 1.00 0.00 0.00 64.86 65.29 2va1 h ILE 35 Cb 0.35 0.22 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 2va1 h ILE 35 CO 0.00 0.32 -0.14 -0.08 0.00 0.00 0.00 178.15 178.26 2va1 h GLU 36 N 1.20 -0.10 -0.41 2.37 4.81 -0.84 0.11 114.58 121.72 2va1 h GLU 36 Ca 0.28 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 2va1 h GLU 36 Cb 0.15 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2va1 h GLU 36 CO -0.03 -0.06 -0.09 0.87 -0.73 0.00 0.00 179.01 178.97 2va1 h LYS 37 N -0.10 0.78 -0.66 1.92 1.57 -1.21 -3.16 116.57 115.71 2va1 h LYS 37 Ca 0.15 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 2va1 h LYS 37 Cb 0.33 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2va1 h LYS 37 CO -0.36 0.90 0.20 0.82 -0.57 0.00 0.00 179.45 180.44 2va1 h ILE 38 N 0.59 1.24 0.00 1.86 2.04 -0.89 -2.97 117.51 119.39 2va1 h ILE 38 Ca 0.10 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2va1 h ILE 38 Cb 0.61 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2va1 h ILE 38 CO 0.04 0.33 0.00 -1.54 0.00 0.00 0.00 178.15 176.98 2va1 n SER 39 N -4.26 0.07 0.15 1.72 3.41 0.35 -1.36 113.62 113.69 2va1 n SER 39 Ca 0.05 0.52 0.02 0.00 -0.26 0.00 0.00 58.87 59.20 2va1 n SER 39 Cb 0.22 -0.53 0.17 0.00 -0.26 0.00 0.00 64.21 63.81 2va1 n SER 39 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2va1 h LYS 40 N 0.00 0.00 0.00 4.33 1.79 -1.61 -3.36 116.57 117.72 2va1 h LYS 40 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2va1 h LYS 40 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 2va1 h LYS 40 CO 0.00 0.55 -1.04 1.63 -1.08 0.00 0.00 179.45 179.51 2va1 n LYS 41 N -3.50 1.48 -4.17 3.15 5.02 -0.55 -5.04 118.16 114.53 2va1 n LYS 41 Ca 0.00 -0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.09 2va1 n LYS 41 Cb 0.64 -1.07 -0.11 0.00 -0.02 0.00 0.00 35.03 34.47 2va1 n LYS 41 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2va1 s TYR 42 N -2.24 1.09 -0.33 2.13 1.51 -0.47 -5.02 117.35 114.03 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 0.05 -0.60 0.01 0.00 -0.11 0.00 0.00 41.96 41.30 2va1 s TYR 42 CO 0.28 0.02 0.81 0.42 -1.11 0.00 0.00 175.55 175.97 2va1 s ILE 43 N -2.14 4.74 -0.23 2.71 1.01 -1.04 -4.38 121.20 121.88 2va1 s ILE 43 Ca 0.03 1.10 -0.08 0.00 0.00 0.00 0.00 60.65 61.71 2va1 s ILE 43 Cb -0.05 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 2va1 s ILE 43 CO 0.01 -0.35 0.09 -0.69 0.00 0.00 0.00 174.94 173.99 2va1 s VAL 44 N 3.09 4.65 -0.16 2.92 1.01 -1.26 -1.62 120.40 129.02 2va1 s VAL 44 Ca 0.33 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 2va1 s VAL 44 Cb -0.13 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 2va1 s VAL 44 CO 0.15 0.36 -0.02 -0.44 0.00 0.00 0.00 175.10 175.15 2va1 s SER 45 N 1.23 4.86 -0.19 3.32 0.01 -0.22 -1.20 113.70 121.51 2va1 s SER 45 Ca 0.05 -0.12 -0.05 0.00 1.31 0.00 0.00 55.95 57.14 2va1 s SER 45 Cb -0.14 -1.80 -0.02 0.00 0.21 0.00 0.00 66.02 64.26 2va1 s SER 45 CO 0.04 0.15 -0.01 -0.63 0.41 0.00 0.00 173.24 173.21 2va1 s ILE 46 N 0.45 3.94 -0.27 1.44 1.01 0.17 -0.27 121.20 127.68 2va1 s ILE 46 Ca -0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 2va1 s ILE 46 Cb -0.14 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.58 2va1 s ILE 46 CO 0.03 0.45 -0.01 -0.69 0.00 0.00 0.00 174.94 174.71 2va1 s VAL 47 N 0.84 3.30 -0.04 2.92 1.01 -0.53 0.50 120.40 128.40 2va1 s VAL 47 Ca 0.00 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 2va1 s VAL 47 Cb -0.14 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2va1 s VAL 47 CO 0.02 0.16 0.20 -0.76 0.00 0.00 0.00 175.10 174.72 2va1 s LEU 48 N 1.39 4.38 0.62 3.92 1.43 -1.22 -0.70 118.68 128.51 2va1 s LEU 48 Ca 0.01 0.48 0.03 0.00 -1.03 0.00 0.00 54.13 53.62 2va1 s LEU 48 Cb -0.17 -2.45 0.09 0.00 0.03 0.00 0.00 46.19 43.69 2va1 s LEU 48 CO -0.02 0.31 0.86 -0.83 0.23 0.00 0.00 176.35 176.90 2va1 s GLY 49 N -1.52 1.78 -0.08 -3.19 0.00 -0.28 -4.87 107.32 99.16 2va1 s GLY 49 Ca 0.23 -1.76 0.12 0.00 0.00 0.00 0.00 44.72 43.31 2va1 s GLY 49 CO 0.13 -1.31 1.08 0.61 0.00 0.00 0.00 173.10 173.61 2va1 n GLY 50 N -2.50 3.30 0.32 0.20 0.00 -1.26 -3.94 105.19 101.30 2va1 n GLY 50 Ca 0.13 -0.71 0.17 0.00 0.00 0.00 0.00 46.02 45.62 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 0.21 103.07 103.38 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 -0.02 3.45 0.00 0.00 0.00 176.54 179.97 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 0.02 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.29 2va1 h ASN 52 Cb 0.14 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.38 2va1 h ASN 52 CO -0.00 0.02 -1.36 -0.38 0.07 0.00 0.00 177.43 175.78 2va1 n ILE 53 N -3.12 0.36 -4.19 6.14 5.41 -0.36 -4.78 119.36 118.81 2va1 n ILE 53 Ca 0.00 -0.12 -0.18 0.00 1.00 0.00 0.00 62.75 63.45 2va1 n ILE 53 Cb 0.28 -1.04 -0.15 0.00 -0.71 0.00 0.00 39.64 38.02 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 -2.12 0.61 0.18 1.39 -0.11 0.58 -5.12 118.94 114.35 2va1 s TRP 54 Ca -0.09 -0.13 -0.01 0.00 1.22 0.00 0.00 56.10 57.10 2va1 s TRP 54 Cb 0.03 -0.47 -0.04 0.00 -1.50 0.00 0.00 33.47 31.49 2va1 s TRP 54 CO 0.13 -0.08 0.09 -0.98 -4.62 0.00 0.00 176.95 171.50 2va1 s ARG 55 N 0.27 1.13 0.47 5.86 1.70 -1.26 -3.47 118.95 123.66 2va1 s ARG 55 Ca -0.03 -1.58 0.13 0.00 -0.47 0.00 0.00 55.73 53.78 2va1 s ARG 55 Cb -0.07 0.17 1.09 0.00 -0.57 0.00 0.00 34.95 35.57 2va1 s ARG 55 CO -0.00 -0.32 2.10 0.78 -1.08 0.00 0.00 175.30 176.78 2va1 h GLY 56 N 2.68 0.21 1.47 3.88 0.00 -1.98 -2.78 103.07 106.55 2va1 h GLY 56 Ca -0.36 -0.08 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 2va1 h GLY 56 CO 0.56 0.08 -0.16 1.48 0.00 0.00 0.00 176.54 178.51 2va1 h SER 57 N 0.20 0.62 -0.16 0.19 4.64 -2.01 -2.75 113.55 114.30 2va1 h SER 57 Ca 0.05 -0.19 -0.13 0.00 -0.47 0.00 0.00 61.79 61.06 2va1 h SER 57 Cb 0.01 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 2va1 h SER 57 CO -0.01 0.80 -0.34 0.40 -0.87 0.00 0.00 176.83 176.81 2va1 h ILE 58 N 0.57 1.29 -0.79 0.95 2.04 -1.92 -2.79 117.51 116.85 2va1 h ILE 58 Ca 0.09 -1.48 0.05 0.00 1.00 0.00 0.00 64.86 64.52 2va1 h ILE 58 Cb 0.60 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 2va1 h ILE 58 CO 0.04 0.48 0.48 0.00 0.00 0.00 0.00 178.15 179.15 2va1 h ALA 59 N 1.06 1.06 -0.21 1.87 0.00 -1.46 -1.30 119.26 120.29 2va1 h ALA 59 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2va1 h ALA 59 Cb 0.85 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2va1 h ALA 59 CO 0.07 0.24 0.08 0.87 0.00 0.00 0.00 179.25 180.51 2va1 h LYS 60 N 0.91 0.31 -0.85 0.00 1.57 -1.38 0.98 116.57 118.11 2va1 h LYS 60 Ca 0.34 -0.06 0.08 0.00 -1.87 0.00 0.00 60.65 59.14 2va1 h LYS 60 Cb 0.12 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 2va1 h LYS 60 CO -0.15 0.38 0.55 0.93 -0.57 0.00 0.00 179.45 180.58 2va1 h GLU 61 N 0.18 0.86 -0.15 3.15 5.08 -1.21 -1.57 114.58 120.91 2va1 h GLU 61 Ca 0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2va1 h GLU 61 Cb 0.18 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2va1 h GLU 61 CO -0.01 0.57 0.00 1.28 -1.00 0.00 0.00 179.01 179.85 2va1 n LEU 62 N -4.50 1.25 -3.86 1.33 4.77 -0.52 -4.92 117.00 110.55 2va1 n LEU 62 Ca 0.13 -0.55 -0.26 0.00 -0.03 0.00 0.00 56.01 55.30 2va1 n LEU 62 Cb 0.26 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2va1 n LEU 62 CO 0.32 0.28 -0.18 -0.67 -1.33 0.00 0.00 177.39 175.81 2va1 n ASP 63 N 0.08 -1.56 -4.56 -1.43 4.64 -0.59 -4.93 116.55 108.19 2va1 n ASP 63 Ca 0.14 -0.99 -0.37 0.00 -1.38 0.00 0.00 54.79 52.19 2va1 n ASP 63 Cb 0.25 -3.24 -0.11 0.00 -1.04 0.00 0.00 41.12 36.97 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 -6.36 3.88 0.74 -0.67 1.75 0.30 -5.04 119.30 113.90 2va1 s MET 64 Ca 0.11 -0.36 -0.15 0.00 -1.25 0.00 0.00 55.69 54.04 2va1 s MET 64 Cb -0.04 -3.51 0.05 0.00 2.84 0.00 0.00 34.83 34.17 2va1 s MET 64 CO 0.87 -0.12 1.20 0.34 -0.65 0.00 0.00 175.02 176.67 2va1 s ASP 65 N 1.51 4.12 0.26 1.11 2.15 -1.26 -4.70 116.67 119.86 2va1 s ASP 65 Ca 0.07 2.34 -0.05 0.00 0.43 0.00 0.00 52.55 55.33 2va1 s ASP 65 Cb -0.15 -2.59 0.31 0.00 -0.30 0.00 0.00 42.92 40.19 2va1 s ASP 65 CO 0.07 -2.31 1.92 -0.09 -0.17 0.00 0.00 175.17 174.59 2va1 h ARG 66 N -0.42 1.27 -0.67 4.34 9.65 -1.98 -1.22 114.38 125.35 2va1 h ARG 66 Ca -0.47 -0.08 0.05 0.00 -1.10 0.00 0.00 59.98 58.38 2va1 h ARG 66 Cb 1.29 -0.29 -0.05 0.00 -1.39 0.00 0.00 29.97 29.54 2va1 h ARG 66 CO 0.49 0.84 0.39 -0.91 2.80 0.00 0.00 179.97 183.59 2va1 h ASN 67 N 1.31 0.61 -0.02 -3.80 2.35 -1.99 -1.27 115.58 112.76 2va1 h ASN 67 Ca 0.38 0.02 -0.25 0.00 -0.55 0.00 0.00 56.30 55.90 2va1 h ASN 67 Cb -0.09 -0.10 0.02 0.00 0.05 0.00 0.00 38.32 38.19 2va1 h ASN 67 CO -0.10 0.40 -0.94 0.25 -1.65 0.00 0.00 177.43 175.40 2va1 h LEU 68 N 0.74 0.90 -0.33 1.61 5.85 -1.84 -2.95 115.31 119.28 2va1 h LEU 68 Ca 0.29 -0.67 0.02 0.00 0.84 0.00 0.00 57.88 58.36 2va1 h LEU 68 Cb 0.13 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2va1 h LEU 68 CO -0.15 1.47 0.17 0.00 -0.34 0.00 0.00 178.44 179.58 2va1 h ALA 69 N 0.49 0.41 -0.01 1.25 0.00 -0.94 -1.44 119.26 119.02 2va1 h ALA 69 Ca -0.10 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2va1 h ALA 69 Cb 1.58 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2va1 h ALA 69 CO 0.19 -0.20 -0.28 -0.44 0.00 0.00 0.00 179.25 178.51 2va1 h ASP 70 N 0.36 0.01 -0.72 0.00 3.32 -1.32 -2.38 116.42 115.69 2va1 h ASP 70 Ca 0.14 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 2va1 h ASP 70 Cb 0.04 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 2va1 h ASP 70 CO -0.09 0.29 0.21 0.78 -1.72 0.00 0.00 179.24 178.72 2va1 h ASN 71 N 0.01 1.06 -0.33 6.45 -0.26 -1.18 -1.99 115.58 119.34 2va1 h ASN 71 Ca -0.00 -0.21 0.01 0.00 -0.56 0.00 0.00 56.30 55.54 2va1 h ASN 71 Cb 0.51 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.47 2va1 h ASN 71 CO 0.04 1.00 0.20 0.24 -1.06 0.00 0.00 177.43 177.84 2va1 h MET 72 N 1.08 0.39 -0.79 0.81 2.86 -0.85 -2.51 114.93 115.92 2va1 h MET 72 Ca 0.23 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.88 2va1 h MET 72 Cb 0.32 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 2va1 h MET 72 CO -0.01 0.26 0.52 0.78 1.06 0.00 0.00 176.91 179.53 2va1 h GLY 73 N 0.40 1.12 1.05 8.32 0.00 -1.27 -1.80 103.07 110.89 2va1 h GLY 73 Ca 0.13 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 2va1 h GLY 73 CO -0.05 0.35 0.11 -0.33 0.00 0.00 0.00 176.54 176.62 2va1 h MET 74 N 0.99 1.06 -0.25 4.80 2.07 -1.03 -1.99 114.93 120.58 2va1 h MET 74 Ca 0.31 -0.28 -0.12 0.00 -2.07 0.00 0.00 59.70 57.55 2va1 h MET 74 Cb 0.02 -0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 29.61 2va1 h MET 74 CO -0.09 0.97 -0.33 1.98 1.07 0.00 0.00 176.91 180.52 2va1 h MET 75 N 0.97 0.53 -0.81 1.72 -1.53 -1.03 -2.72 114.93 112.06 2va1 h MET 75 Ca 0.20 -0.24 0.03 0.00 -3.44 0.00 0.00 59.70 56.25 2va1 h MET 75 Cb 0.42 -0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 31.41 2va1 h MET 75 CO 0.01 0.80 0.52 0.00 0.14 0.00 0.00 176.91 178.38 2va1 h ALA 76 N 1.19 1.06 -0.24 0.39 0.00 -1.00 -2.35 119.26 118.30 2va1 h ALA 76 Ca 0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2va1 h ALA 76 Cb 0.80 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2va1 h ALA 76 CO 0.06 0.35 -0.22 1.79 0.00 0.00 0.00 179.25 181.23 2va1 h THR 77 N 1.02 1.25 -0.54 0.00 1.35 -1.16 -2.03 112.91 112.80 2va1 h THR 77 Ca 0.32 -1.19 -0.03 0.00 -0.55 0.00 0.00 66.41 64.96 2va1 h THR 77 Cb -0.01 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 67.70 2va1 h THR 77 CO -0.11 0.38 0.21 0.40 -0.25 0.00 0.00 175.52 176.16 2va1 h ILE 78 N 0.40 1.22 -0.04 6.82 2.04 -1.16 0.33 117.51 127.12 2va1 h ILE 78 Ca 0.06 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.25 2va1 h ILE 78 Cb 0.62 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2va1 h ILE 78 CO 0.04 0.26 -0.06 0.40 0.00 0.00 0.00 178.15 178.80 2va1 h ILE 79 N 0.74 0.84 -0.86 -0.67 2.04 -1.13 -1.18 117.51 117.29 2va1 h ILE 79 Ca 0.18 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.06 2va1 h ILE 79 Cb 0.20 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 2va1 h ILE 79 CO -0.01 0.00 0.56 0.78 0.00 0.00 0.00 178.15 179.48 2va1 h ASN 80 N -0.08 0.96 -0.80 1.72 2.35 -1.18 -2.13 115.58 116.41 2va1 h ASN 80 Ca 0.04 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2va1 h ASN 80 Cb 0.14 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 2va1 h ASN 80 CO -0.09 0.67 0.50 1.23 -1.65 0.00 0.00 177.43 178.09 2va1 h GLY 81 N 1.12 1.16 1.72 2.83 0.00 0.03 -0.88 103.07 109.05 2va1 h GLY 81 Ca 0.33 -0.47 -0.15 0.00 0.00 0.00 0.00 47.33 47.04 2va1 h GLY 81 CO -0.09 0.46 -0.62 1.41 0.00 0.00 0.00 176.54 177.70 2va1 h LEU 82 N 1.10 0.33 -0.35 3.11 3.38 -1.03 -1.82 115.31 120.03 2va1 h LEU 82 Ca 0.29 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2va1 h LEU 82 Cb -0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2va1 h LEU 82 CO -0.06 0.86 0.05 0.00 0.09 0.00 0.00 178.44 179.39 2va1 h ALA 83 N 1.14 0.47 -0.52 1.53 0.00 -1.02 -1.93 119.26 118.92 2va1 h ALA 83 Ca -0.01 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2va1 h ALA 83 Cb 1.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2va1 h ALA 83 CO 0.10 0.18 -0.10 1.25 0.00 0.00 0.00 179.25 180.67 2va1 h LEU 84 N 0.42 0.97 -0.54 0.00 6.46 -1.12 -2.17 115.31 119.32 2va1 h LEU 84 Ca 0.11 -0.31 0.01 0.00 -0.12 0.00 0.00 57.88 57.57 2va1 h LEU 84 Cb 0.37 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 2va1 h LEU 84 CO 0.01 1.08 0.35 -0.08 -0.62 0.00 0.00 178.44 179.18 2va1 h GLU 85 N 0.87 0.68 -0.27 1.25 4.81 -1.28 -0.72 114.58 119.92 2va1 h GLU 85 Ca 0.14 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2va1 h GLU 85 Cb 0.65 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 2va1 h GLU 85 CO 0.05 0.45 0.10 -0.97 -0.73 0.00 0.00 179.01 177.91 2va1 h ASN 86 N 0.70 0.13 -0.77 1.04 -1.24 -1.17 0.11 115.58 114.39 2va1 h ASN 86 Ca 0.21 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.24 2va1 h ASN 86 Cb -0.04 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 38.98 2va1 h ASN 86 CO -0.07 0.11 0.48 0.00 -1.29 0.00 0.00 177.43 176.67 2va1 h ALA 87 N 1.16 1.40 -0.03 1.57 0.00 -1.03 -2.46 119.26 119.87 2va1 h ALA 87 Ca 0.12 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 2va1 h ALA 87 Cb 0.07 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2va1 h ALA 87 CO -0.11 0.53 -0.84 -0.07 0.00 0.00 0.00 179.25 178.77 2va1 h LEU 88 N 1.05 0.43 -1.00 0.00 3.38 -0.79 -3.24 115.31 115.14 2va1 h LEU 88 Ca 0.28 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2va1 h LEU 88 Cb -0.08 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 2va1 h LEU 88 CO -0.06 1.09 0.66 0.78 0.09 0.00 0.00 178.44 181.01 2va1 h ASN 89 N 0.21 1.13 0.45 -0.43 2.35 -0.46 -1.92 115.58 116.91 2va1 h ASN 89 Ca -0.05 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2va1 h ASN 89 Cb 1.44 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 39.54 2va1 h ASN 89 CO 0.14 0.80 -0.00 0.45 -1.65 0.00 0.00 177.43 177.16 2va1 h HIS 90 N 1.32 0.00 -0.72 1.19 3.86 -1.48 -1.23 115.15 118.09 2va1 h HIS 90 Ca 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 2va1 h HIS 90 Cb -0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.38 2va1 h HIS 90 CO -0.00 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.07 2va1 n LEU 91 N -3.10 4.01 -1.97 2.43 4.77 -0.82 -4.96 117.00 117.35 2va1 n LEU 91 Ca -0.01 -2.04 -0.19 0.00 -0.03 0.00 0.00 56.01 53.74 2va1 n LEU 91 Cb 0.18 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.75 2va1 n LEU 91 CO 0.23 0.97 -0.23 0.59 -1.33 0.00 0.00 177.39 177.63 2va1 n ASN 92 N 1.58 -5.36 -4.69 -1.43 3.02 -0.46 -4.98 115.26 102.94 2va1 n ASN 92 Ca 0.24 0.09 -0.41 0.00 -0.03 0.00 0.00 54.58 54.47 2va1 n ASN 92 Cb 0.64 -4.43 -0.04 0.00 -0.61 0.00 0.00 39.78 35.34 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 -2.88 4.92 -0.12 2.41 1.01 -0.79 -5.01 120.40 119.95 2va1 s VAL 93 Ca 0.00 1.65 -0.29 0.00 0.00 0.00 0.00 61.98 63.33 2va1 s VAL 93 Cb 0.00 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2va1 s VAL 93 CO 0.00 0.10 1.59 0.21 0.00 0.00 0.00 175.10 177.00 2va1 s ASN 94 N 1.04 6.62 0.01 3.32 2.47 -1.26 -4.39 114.94 122.76 2va1 s ASN 94 Ca 0.40 1.98 -0.06 0.00 0.42 0.00 0.00 52.86 55.60 2va1 s ASN 94 Cb -0.17 -2.53 -0.00 0.00 -1.45 0.00 0.00 41.25 37.09 2va1 s ASN 94 CO 0.16 -1.00 0.11 0.28 -3.72 0.00 0.00 177.10 172.93 2va1 s THR 95 N 4.31 0.09 -0.03 -5.21 -1.32 -1.26 -1.05 115.64 111.17 2va1 s THR 95 Ca 0.70 -0.77 -0.02 0.00 -1.21 0.00 0.00 61.69 60.39 2va1 s THR 95 Cb -0.29 -0.48 0.01 0.00 -1.51 0.00 0.00 72.50 70.23 2va1 s THR 95 CO 0.27 -0.43 0.07 -0.51 -2.21 0.00 0.00 174.62 171.81 2va1 s ILE 96 N -1.58 -0.01 -0.30 5.08 2.07 -0.29 -4.90 121.20 121.28 2va1 s ILE 96 Ca -0.14 0.03 -0.15 0.00 -1.41 0.00 0.00 60.65 58.99 2va1 s ILE 96 Cb -0.07 -0.10 -0.03 0.00 0.13 0.00 0.00 42.46 42.39 2va1 s ILE 96 CO 0.00 0.01 0.37 -0.69 -1.91 0.00 0.00 174.94 172.72 2va1 s VAL 97 N 0.21 5.17 -0.22 4.00 1.01 -1.26 -0.70 120.40 128.60 2va1 s VAL 97 Ca -0.01 0.38 -0.03 0.00 0.00 0.00 0.00 61.98 62.32 2va1 s VAL 97 Cb -0.02 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.62 2va1 s VAL 97 CO -0.01 0.06 -0.07 -0.76 0.00 0.00 0.00 175.10 174.33 2va1 s LEU 98 N 2.06 2.88 -0.10 3.92 1.43 0.29 -2.45 118.68 126.71 2va1 s LEU 98 Ca 0.14 -0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 52.64 2va1 s LEU 98 Cb -0.16 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 2va1 s LEU 98 CO 0.11 -0.05 0.02 -0.55 0.23 0.00 0.00 176.35 176.10 2va1 s SER 99 N 1.41 5.34 0.48 2.29 0.15 0.60 -1.34 113.70 122.64 2va1 s SER 99 Ca 0.04 0.16 0.28 0.00 0.70 0.00 0.00 55.95 57.13 2va1 s SER 99 Cb -0.15 -1.56 1.08 0.00 -1.71 0.00 0.00 66.02 63.67 2va1 s SER 99 CO -0.05 0.36 1.88 0.00 1.20 0.00 0.00 173.24 176.64 2va1 h ALA 100 N 5.28 1.02 -3.35 5.45 0.00 -1.48 0.19 119.26 126.36 2va1 h ALA 100 Ca -0.50 -0.12 -0.65 0.00 0.00 0.00 0.00 54.91 53.64 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 0.56 0.16 -0.72 0.96 0.00 0.00 0.00 179.25 180.22 2va1 s ILE 101 N -3.65 3.47 0.08 0.00 -4.36 -1.26 -4.56 121.20 110.92 2va1 s ILE 101 Ca 0.01 -0.51 -0.31 0.00 -0.26 0.00 0.00 60.65 59.58 2va1 s ILE 101 Cb 0.10 -2.49 -0.08 0.00 1.25 0.00 0.00 42.46 41.24 2va1 s ILE 101 CO 0.60 0.52 1.58 -0.75 0.24 0.00 0.00 174.94 177.13 2va1 s LYS 102 N 0.25 4.22 -0.50 0.37 2.20 -1.26 -4.89 119.74 120.13 2va1 s LYS 102 Ca -0.06 2.27 0.06 0.00 -0.36 0.00 0.00 55.97 57.88 2va1 s LYS 102 Cb -0.15 -3.48 0.21 0.00 -1.51 0.00 0.00 37.83 32.90 2va1 s LYS 102 CO 0.04 -0.66 0.80 0.00 -0.36 0.00 0.00 175.35 175.17 2va1 h ASP 104 N 4.61 0.03 0.87 0.00 3.45 -1.92 -0.92 116.42 122.54 2va1 h ASP 104 Ca -0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.44 2va1 h ASP 104 Cb 1.08 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.85 2va1 h ASP 104 CO 0.12 0.02 0.00 0.29 -1.57 0.00 0.00 179.24 178.10 2va1 n LYS 105 N -4.47 0.20 0.00 3.56 4.76 -1.26 -4.08 118.16 116.86 2va1 n LYS 105 Ca 0.03 0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 2va1 n LYS 105 Cb 0.32 -1.84 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 2va1 n LYS 105 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2va1 n LEU 106 N -2.20 2.61 -3.99 -0.35 4.77 -0.55 -5.12 117.00 112.18 2va1 n LEU 106 Ca 0.03 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.93 2va1 n LEU 106 Cb 0.27 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.27 2va1 n LEU 106 CO 0.22 0.43 -0.25 0.68 -1.33 0.00 0.00 177.39 177.14 2va1 s VAL 107 N -2.00 0.18 0.46 4.08 -7.23 -0.46 -5.06 120.40 110.38 2va1 s VAL 107 Ca 0.00 -1.51 -0.12 0.00 -1.81 0.00 0.00 61.98 58.55 2va1 s VAL 107 Cb 0.00 -1.39 -0.06 0.00 0.56 0.00 0.00 36.38 35.49 2va1 s VAL 107 CO 0.00 -0.83 0.85 -1.00 -0.31 0.00 0.00 175.10 173.80 2va1 s HIS 108 N -3.77 3.49 -0.00 2.82 3.76 -1.03 -4.00 115.29 116.56 2va1 s HIS 108 Ca 0.05 1.15 -0.19 0.00 -0.15 0.00 0.00 55.06 55.92 2va1 s HIS 108 Cb 0.06 -2.54 -0.05 0.00 1.11 0.00 0.00 32.58 31.15 2va1 s HIS 108 CO -0.10 -0.24 0.55 -2.00 -0.85 0.00 0.00 174.74 172.11 2va1 s GLU 109 N -4.11 4.25 0.27 1.40 2.12 -1.26 -0.29 118.70 121.09 2va1 s GLU 109 Ca 0.53 0.66 -0.29 0.00 0.36 0.00 0.00 54.97 56.23 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 0.35 0.43 1.12 -1.54 -0.54 0.00 0.00 175.26 175.07 2va1 s SER 110 N -0.36 7.22 0.20 -1.70 1.04 0.66 -4.65 113.70 116.12 2va1 s SER 110 Ca 0.29 2.29 -0.23 0.00 0.48 0.00 0.00 55.95 58.78 2va1 s SER 110 Cb -0.18 -2.63 0.05 0.00 0.10 0.00 0.00 66.02 63.36 2va1 s SER 110 CO 0.16 -0.19 0.80 -0.94 0.98 0.00 0.00 173.24 174.06 2va1 s SER 111 N -0.76 -0.27 0.18 7.02 1.04 -1.26 -4.89 113.70 114.75 2va1 s SER 111 Ca 0.45 -0.43 -0.14 0.00 0.48 0.00 0.00 55.95 56.32 2va1 s SER 111 Cb -0.32 0.61 0.15 0.00 0.10 0.00 0.00 66.02 66.55 2va1 s SER 111 CO 0.41 -1.10 1.73 0.00 0.98 0.00 0.00 173.24 175.26 2va1 h ALA 112 N 2.00 0.52 -0.27 5.32 0.00 -2.00 -1.39 119.26 123.44 2va1 h ALA 112 Ca -0.23 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2va1 h ALA 112 Cb 1.25 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2va1 h ALA 112 CO 0.26 -0.29 0.15 -0.91 0.00 0.00 0.00 179.25 178.45 2va1 h ASN 113 N 0.25 0.35 0.11 0.00 2.35 -1.99 -2.19 115.58 114.46 2va1 h ASN 113 Ca 0.22 -0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 55.76 2va1 h ASN 113 Cb 0.27 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2va1 h ASN 113 CO -0.27 0.34 -0.40 0.78 -1.65 0.00 0.00 177.43 176.23 2va1 h ASN 114 N 0.32 0.40 0.06 5.81 2.35 -1.84 0.08 115.58 122.77 2va1 h ASN 114 Ca 0.10 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2va1 h ASN 114 Cb 0.08 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2va1 h ASN 114 CO -0.01 0.76 -0.03 0.40 -1.65 0.00 0.00 177.43 176.89 2va1 h ILE 115 N 0.32 1.15 -0.55 2.81 2.04 -1.24 -1.06 117.51 120.97 2va1 h ILE 115 Ca 0.03 -0.74 0.10 0.00 1.00 0.00 0.00 64.86 65.25 2va1 h ILE 115 Cb 0.84 1.64 -0.08 0.00 -0.74 0.00 0.00 36.82 38.47 2va1 h ILE 115 CO 0.07 0.18 0.07 0.50 0.00 0.00 0.00 178.15 178.97 2va1 h LYS 116 N -0.42 0.19 -0.85 2.37 3.64 -1.26 0.47 116.57 120.71 2va1 h LYS 116 Ca -0.01 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2va1 h LYS 116 Cb 0.37 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 2va1 h LYS 116 CO 0.01 0.13 0.44 -0.22 -2.27 0.00 0.00 179.45 177.54 2va1 h LYS 117 N 0.20 1.21 -0.12 1.90 3.64 -0.95 -1.79 116.57 120.66 2va1 h LYS 117 Ca 0.28 -0.16 -0.16 0.00 -1.27 0.00 0.00 60.65 59.35 2va1 h LYS 117 Cb 0.42 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2va1 h LYS 117 CO -0.40 0.90 -0.60 0.00 -2.27 0.00 0.00 179.45 177.09 2va1 h ALA 118 N 1.24 0.76 -0.28 5.00 0.00 -0.42 -2.57 119.26 122.98 2va1 h ALA 118 Ca 0.30 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2va1 h ALA 118 Cb 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2va1 h ALA 118 CO -0.04 0.71 0.01 0.82 0.00 0.00 0.00 179.25 180.75 2va1 h ILE 119 N 0.29 1.25 -0.79 0.00 2.04 -0.73 -0.53 117.51 119.05 2va1 h ILE 119 Ca -0.00 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 64.99 2va1 h ILE 119 Cb 1.12 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 2va1 h ILE 119 CO 0.10 0.29 0.51 -0.33 0.00 0.00 0.00 178.15 178.72 2va1 h GLU 120 N 0.28 0.99 0.00 2.37 5.08 -1.31 0.17 114.58 122.16 2va1 h GLU 120 Ca 0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2va1 h GLU 120 Cb 0.40 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2va1 h GLU 120 CO 0.01 0.65 0.00 1.63 -1.00 0.00 0.00 179.01 180.30 2va1 n LYS 121 N -4.57 0.13 -3.71 2.33 5.02 -0.97 -4.92 118.16 111.46 2va1 n LYS 121 Ca 0.09 0.13 -0.26 0.00 -2.02 0.00 0.00 58.31 56.25 2va1 n LYS 121 Cb 0.06 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.63 2va1 n LYS 121 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2va1 n GLU 122 N -1.41 -6.85 -2.80 1.97 4.07 0.05 -4.99 120.64 110.67 2va1 n GLU 122 Ca 0.07 0.73 -0.33 0.00 -0.06 0.00 0.00 57.16 57.58 2va1 n GLU 122 Cb 0.20 -5.71 -0.06 0.00 -0.06 0.00 0.00 31.44 25.82 2va1 n GLU 122 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 2va1 s GLN 123 N -6.36 4.12 -0.09 5.31 -0.21 -0.28 -4.89 119.66 117.26 2va1 s GLN 123 Ca 0.55 0.99 -0.30 0.00 0.02 0.00 0.00 55.36 56.62 2va1 s GLN 123 Cb -0.26 -2.22 -0.03 0.00 1.00 0.00 0.00 33.01 31.50 2va1 s GLN 123 CO 0.77 -0.04 1.26 0.08 -2.12 0.00 0.00 175.29 175.24 2va1 s VAL 124 N -2.23 4.19 -0.30 1.09 1.01 -0.22 -4.60 120.40 119.34 2va1 s VAL 124 Ca 0.60 1.50 -0.15 0.00 0.00 0.00 0.00 61.98 63.92 2va1 s VAL 124 Cb -0.09 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 2va1 s VAL 124 CO 0.18 -0.06 0.39 -0.04 0.00 0.00 0.00 175.10 175.57 2va1 s MET 125 N 2.79 3.82 -0.45 2.72 1.00 -0.34 -1.14 119.30 127.70 2va1 s MET 125 Ca 0.57 -0.14 -0.13 0.00 0.00 0.00 0.00 55.69 55.98 2va1 s MET 125 Cb -0.24 -3.72 0.07 0.00 0.00 0.00 0.00 34.83 30.93 2va1 s MET 125 CO 0.20 -0.41 0.34 0.42 0.00 0.00 0.00 175.02 175.57 2va1 s ILE 126 N 2.09 4.91 -0.04 2.53 1.01 0.13 0.45 121.20 132.28 2va1 s ILE 126 Ca 0.14 -1.12 -0.20 0.00 0.00 0.00 0.00 60.65 59.47 2va1 s ILE 126 Cb -0.16 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 2va1 s ILE 126 CO 0.11 -0.52 0.58 -0.36 0.00 0.00 0.00 174.94 174.76 2va1 s PHE 127 N 1.58 3.63 0.02 3.97 0.40 0.18 -0.55 117.98 127.21 2va1 s PHE 127 Ca 0.04 1.14 -0.00 0.00 -0.60 0.00 0.00 56.93 57.50 2va1 s PHE 127 Cb -0.23 -2.62 -0.02 0.00 0.51 0.00 0.00 43.02 40.65 2va1 s PHE 127 CO 0.06 0.28 -0.03 0.08 0.70 0.00 0.00 175.22 176.31 2va1 s VAL 128 N 0.13 0.12 -1.37 -0.44 1.01 -0.45 -3.38 120.40 116.01 2va1 s VAL 128 Ca 0.31 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.30 2va1 s VAL 128 Cb -0.17 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.82 2va1 s VAL 128 CO 0.16 -0.54 0.00 0.00 0.00 0.00 0.00 175.10 174.72 2va1 n ALA 129 N 1.46 -0.31 -0.91 5.51 0.00 -1.26 -1.45 120.51 123.56 2va1 n ALA 129 Ca -0.23 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2va1 n ALA 129 Cb 0.56 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.13 4.03 0.52 0.00 0.00 -1.26 -1.59 105.19 105.76 2va1 n GLY 130 Ca -0.15 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.05 2va1 n GLY 130 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2va1 n THR 131 N 0.00 0.00 -0.99 2.61 -2.24 -1.26 -4.51 114.28 107.89 2va1 n THR 131 Ca 0.00 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2va1 n THR 131 Cb 0.00 1.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 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 0.98 0.51 3.25 3.38 0.00 -0.62 -4.91 105.19 107.78 2va1 n GLY 132 Ca 0.08 0.00 -0.25 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 -2.15 1.80 0.91 1.61 0.40 -1.26 -5.00 117.98 114.29 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 -1.06 0.14 0.00 0.51 0.00 0.00 43.02 42.61 2va1 s PHE 133 CO 0.00 0.11 1.11 -1.25 0.70 0.00 0.00 175.22 175.88 2va1 s PRO 134 N -1.29 1.16 -0.69 0.24 0.04 -1.26 -4.19 135.00 129.02 2va1 s PRO 134 Ca 0.07 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2va1 s PRO 134 Cb -0.09 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2va1 s PRO 134 CO 0.02 -2.24 0.00 0.66 0.04 0.00 0.00 177.00 175.48 2va1 n TYR 135 N -3.84 -0.10 -4.95 0.56 4.02 -1.26 -5.04 117.16 106.56 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 0.57 -1.63 -0.15 0.00 -0.02 0.00 0.00 39.34 38.12 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 -2.28 2.37 0.37 -0.72 0.40 -1.26 -5.14 117.98 111.73 2va1 s PHE 136 Ca 0.00 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 56.00 2va1 s PHE 136 Cb 0.00 -1.43 -0.00 0.00 0.51 0.00 0.00 43.02 42.09 2va1 s PHE 136 CO 0.00 0.11 0.53 0.95 0.70 0.00 0.00 175.22 177.52 2va1 s THR 137 N -0.78 3.90 0.32 0.64 -4.23 -1.26 -4.99 115.64 109.24 2va1 s THR 137 Ca 0.12 -0.88 0.05 0.00 -1.18 0.00 0.00 61.69 59.79 2va1 s THR 137 Cb -0.10 -3.37 0.30 0.00 1.34 0.00 0.00 72.50 70.67 2va1 s THR 137 CO 0.02 -0.17 1.88 0.74 -0.54 0.00 0.00 174.62 176.55 2va1 h THR 138 N 0.73 0.93 -0.42 3.99 2.02 -1.99 -2.14 112.91 116.03 2va1 h THR 138 Ca -0.45 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 2va1 h THR 138 Cb 1.26 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 2va1 h THR 138 CO 0.53 0.16 0.21 0.44 0.37 0.00 0.00 175.52 177.23 2va1 h ASP 139 N 0.86 0.54 -0.86 4.18 3.45 -1.99 -0.79 116.42 121.81 2va1 h ASP 139 Ca 0.43 -0.11 -0.02 0.00 0.43 0.00 0.00 57.03 57.76 2va1 h ASP 139 Cb 0.49 -0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 39.08 2va1 h ASP 139 CO -0.20 0.50 0.47 0.28 -1.57 0.00 0.00 179.24 178.72 2va1 h SER 140 N 0.54 1.08 -0.65 6.45 0.02 -1.81 -0.75 113.55 118.43 2va1 h SER 140 Ca 0.15 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 2va1 h SER 140 Cb 0.09 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 2va1 h SER 140 CO -0.02 0.88 0.17 0.00 -1.14 0.00 0.00 176.83 176.71 2va1 h ALA 142 N 1.06 1.07 -0.26 0.00 0.00 -0.65 0.10 119.26 120.59 2va1 h ALA 142 Ca 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2va1 h ALA 142 Cb 0.35 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2va1 h ALA 142 CO 0.00 0.43 0.13 0.00 0.00 0.00 0.00 179.25 179.81 2va1 h ALA 143 N 1.32 0.33 -0.44 0.00 0.00 -0.82 -0.94 119.26 118.71 2va1 h ALA 143 Ca 0.32 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2va1 h ALA 143 Cb -0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2va1 h ALA 143 CO -0.08 -0.11 0.12 0.82 0.00 0.00 0.00 179.25 179.99 2va1 h ILE 144 N 0.29 1.23 -0.33 0.00 2.04 -0.86 -1.77 117.51 118.11 2va1 h ILE 144 Ca 0.09 -0.79 -0.08 0.00 1.00 0.00 0.00 64.86 65.08 2va1 h ILE 144 Cb 0.11 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2va1 h ILE 144 CO -0.01 0.28 -0.13 0.03 0.00 0.00 0.00 178.15 178.32 2va1 h ARG 145 N 0.58 0.58 -0.19 2.37 2.47 -0.77 -0.20 114.38 119.21 2va1 h ARG 145 Ca 0.14 -0.18 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 2va1 h ARG 145 Cb 0.30 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.56 2va1 h ARG 145 CO -0.00 0.70 0.07 0.00 0.56 0.00 0.00 179.97 181.29 2va1 h ALA 146 N 1.33 0.25 -0.52 0.04 0.00 -0.88 -0.05 119.26 119.43 2va1 h ALA 146 Ca 0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2va1 h ALA 146 Cb 0.53 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2va1 h ALA 146 CO 0.03 -0.14 0.16 0.00 0.00 0.00 0.00 179.25 179.31 2va1 h ALA 147 N 0.90 0.69 -0.85 0.00 0.00 -1.19 0.48 119.26 119.28 2va1 h ALA 147 Ca 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2va1 h ALA 147 Cb 0.21 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2va1 h ALA 147 CO -0.00 0.34 0.45 1.49 0.00 0.00 0.00 179.25 181.53 2va1 h GLU 148 N 0.72 1.20 -0.01 0.00 4.81 -0.91 -2.34 114.58 118.05 2va1 h GLU 148 Ca 0.17 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2va1 h GLU 148 Cb 0.27 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2va1 h GLU 148 CO -0.01 0.90 -0.05 0.25 -0.73 0.00 0.00 179.01 179.37 2va1 n THR 149 N -4.35 0.00 -3.63 0.32 -2.24 -0.04 -4.93 114.28 99.40 2va1 n THR 149 Ca 0.09 -0.20 -0.24 0.00 -2.27 0.00 0.00 64.05 61.43 2va1 n THR 149 Cb 0.11 0.36 0.07 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.13 -7.30 -3.09 -0.78 1.02 -0.27 -4.97 120.64 105.12 2va1 n GLU 150 Ca 0.18 0.79 -0.40 0.00 -0.02 0.00 0.00 57.16 57.71 2va1 n GLU 150 Cb 0.33 -5.80 -0.05 0.00 -0.02 0.00 0.00 31.44 25.90 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 -3.50 6.89 0.02 1.62 0.01 0.15 -4.28 113.70 114.61 2va1 s SER 151 Ca 0.50 1.07 0.26 0.00 1.31 0.00 0.00 55.95 59.10 2va1 s SER 151 Cb -0.23 -2.38 0.77 0.00 0.21 0.00 0.00 66.02 64.39 2va1 s SER 151 CO 0.75 -0.13 1.61 -1.54 0.41 0.00 0.00 173.24 174.33 2va1 n SER 152 N 4.01 0.35 -3.82 2.44 3.41 -1.23 -4.46 113.62 114.32 2va1 n SER 152 Ca -0.02 0.09 -0.13 0.00 -0.26 0.00 0.00 58.87 58.55 2va1 n SER 152 Cb 0.51 -0.07 -0.13 0.00 -0.26 0.00 0.00 64.21 64.26 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 -3.02 -0.01 -0.20 -1.33 2.07 -1.26 -0.59 121.20 116.86 2va1 s ILE 153 Ca 0.12 0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 59.35 2va1 s ILE 153 Cb 0.17 -0.15 -0.01 0.00 0.13 0.00 0.00 42.46 42.60 2va1 s ILE 153 CO 0.64 0.01 -0.05 -0.63 -1.91 0.00 0.00 174.94 173.00 2va1 s ILE 154 N 0.22 3.41 -0.44 2.00 1.01 0.42 -2.21 121.20 125.62 2va1 s ILE 154 Ca -0.01 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 2va1 s ILE 154 Cb -0.02 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.94 2va1 s ILE 154 CO -0.01 0.44 1.19 -0.76 0.00 0.00 0.00 174.94 175.80 2va1 s LEU 155 N 1.19 3.67 -1.01 2.97 1.43 0.72 -0.69 118.68 126.96 2va1 s LEU 155 Ca 0.02 0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 53.64 2va1 s LEU 155 Cb -0.14 -3.55 0.26 0.00 0.03 0.00 0.00 46.19 42.78 2va1 s LEU 155 CO -0.01 -1.24 0.98 -0.04 0.23 0.00 0.00 176.35 176.27 2va1 s MET 156 N 4.45 3.98 -0.04 1.70 -1.94 0.67 -1.64 119.30 126.47 2va1 s MET 156 Ca 0.50 -2.93 -0.30 0.00 -1.71 0.00 0.00 55.69 51.25 2va1 s MET 156 Cb -0.09 -4.51 -0.05 0.00 2.01 0.00 0.00 34.83 32.19 2va1 s MET 156 CO 0.30 -1.26 1.48 0.20 -0.01 0.00 0.00 175.02 175.72 2va1 s GLY 157 N 1.65 1.70 0.00 -0.03 0.00 -1.25 -2.61 107.32 106.78 2va1 s GLY 157 Ca 0.26 0.86 0.01 0.00 0.00 0.00 0.00 44.72 45.84 2va1 s GLY 157 CO -0.08 2.70 0.04 0.54 0.00 0.00 0.00 173.10 176.30 2va1 s LYS 158 N 3.09 2.91 -0.93 2.90 -0.14 0.77 -4.80 119.74 123.55 2va1 s LYS 158 Ca 0.66 -0.56 -0.17 0.00 -1.36 0.00 0.00 55.97 54.54 2va1 s LYS 158 Cb -0.31 -2.76 0.15 0.00 -1.68 0.00 0.00 37.83 33.24 2va1 s LYS 158 CO 0.26 0.63 1.08 -0.80 -0.76 0.00 0.00 175.35 175.76 2va1 s ASN 159 N -1.67 6.69 0.00 2.83 0.01 -1.26 -1.10 114.94 120.44 2va1 s ASN 159 Ca 0.21 -2.24 0.00 0.00 -0.71 0.00 0.00 52.86 50.12 2va1 s ASN 159 Cb -0.12 -2.36 0.00 0.00 0.41 0.00 0.00 41.25 39.18 2va1 s ASN 159 CO 0.12 -0.94 0.00 0.61 -1.51 0.00 0.00 177.10 175.38 2va1 n GLY 160 N 5.09 2.24 3.79 0.66 0.00 -1.26 -5.03 105.19 110.68 2va1 n GLY 160 Ca 0.23 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.83 5.19 0.44 1.61 -7.23 -1.26 -5.00 120.40 113.33 2va1 s VAL 161 Ca 0.00 0.70 0.14 0.00 -1.81 0.00 0.00 61.98 61.01 2va1 s VAL 161 Cb 0.00 -3.67 0.18 0.00 0.56 0.00 0.00 36.38 33.44 2va1 s VAL 161 CO 0.00 0.48 1.98 0.44 -0.31 0.00 0.00 175.10 177.69 2va1 h ASP 162 N 5.71 0.00 0.00 4.85 3.45 -1.92 -3.10 116.42 125.41 2va1 h ASP 162 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 2va1 h ASP 162 Cb 1.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 2va1 h ASP 162 CO 0.68 0.20 0.00 0.61 -1.57 0.00 0.00 179.24 179.16 2va1 n GLY 163 N -0.97 1.03 3.09 2.75 0.00 -1.26 -3.85 105.19 105.98 2va1 n GLY 163 Ca -0.02 0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 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 1.62 3.02 0.00 1.61 1.01 -1.26 -4.92 120.40 121.48 2va1 s VAL 164 Ca 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 61.98 59.79 2va1 s VAL 164 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2va1 s VAL 164 CO 0.00 -0.68 0.00 -1.22 0.00 0.00 0.00 175.10 173.20 2va1 n TYR 165 N 4.44 0.00 -2.42 5.22 4.01 -1.26 -2.09 117.16 125.06 2va1 n TYR 165 Ca -0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 2va1 n TYR 165 Cb 0.41 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.48 2va1 n TYR 165 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2va1 n ASP 166 N 0.00 3.17 0.00 7.72 9.92 -1.26 -4.94 116.55 131.16 2va1 n ASP 166 Ca 0.00 -2.89 0.00 0.00 -0.53 0.00 0.00 54.79 51.37 2va1 n ASP 166 Cb 0.00 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.07 2va1 n ASP 166 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2va1 n SER 167 N -0.64 0.00 -4.56 -2.24 2.88 -1.26 -5.21 113.62 102.59 2va1 n SER 167 Ca 0.25 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.38 2va1 n SER 167 Cb 0.89 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.32 2va1 n SER 167 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2va1 s ASP 168 N -4.55 6.53 -0.24 -3.46 3.84 -1.26 -5.23 116.67 112.30 2va1 s ASP 168 Ca 0.00 -1.54 -0.09 0.00 -0.00 0.00 0.00 52.55 50.92 2va1 s ASP 168 Cb 0.00 -2.57 0.10 0.00 -1.38 0.00 0.00 42.92 39.07 2va1 s ASP 168 CO 0.00 -1.48 0.52 0.12 -0.00 0.00 0.00 175.17 174.34 2va1 s PHE 177 N 4.89 -1.00 -0.12 2.11 5.36 -1.26 -5.28 117.98 122.68 2va1 s PHE 177 Ca 0.46 1.84 -0.15 0.00 -0.96 0.00 0.00 56.93 58.12 2va1 s PHE 177 Cb 0.00 0.51 -0.05 0.00 -0.34 0.00 0.00 43.02 43.15 2va1 s PHE 177 CO -0.09 -0.54 0.37 0.71 -1.46 0.00 0.00 175.22 174.22 2va1 s TYR 178 N 2.49 3.52 -0.13 10.12 1.51 -0.89 -4.96 117.35 129.02 2va1 s TYR 178 Ca -0.05 0.76 0.14 0.00 -1.01 0.00 0.00 57.07 56.91 2va1 s TYR 178 Cb -0.11 -2.40 -0.24 0.00 -0.11 0.00 0.00 41.96 39.10 2va1 s TYR 178 CO -0.16 0.29 0.34 -1.91 -1.11 0.00 0.00 175.55 173.00 2va1 n GLU 179 N 3.31 0.66 -3.58 -0.62 2.13 -1.26 -4.42 120.64 116.85 2va1 n GLU 179 Ca -0.11 0.15 -0.13 0.00 0.66 0.00 0.00 57.16 57.73 2va1 n GLU 179 Cb 0.52 -1.65 -0.12 0.00 0.27 0.00 0.00 31.44 30.46 2va1 n GLU 179 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2va1 s HIS 180 N -2.54 -0.51 0.14 4.31 5.04 -1.26 -2.05 115.29 118.42 2va1 s HIS 180 Ca -0.09 0.90 0.10 0.00 -1.54 0.00 0.00 55.06 54.43 2va1 s HIS 180 Cb 0.07 -0.04 -0.04 0.00 0.04 0.00 0.00 32.58 32.61 2va1 s HIS 180 CO 0.82 -0.47 -0.21 0.96 -2.34 0.00 0.00 174.74 173.49 2va1 s ILE 181 N 2.45 2.61 0.41 0.89 -4.36 -0.69 -4.98 121.20 117.52 2va1 s ILE 181 Ca 0.04 -1.70 -0.12 0.00 -0.26 0.00 0.00 60.65 58.61 2va1 s ILE 181 Cb -0.13 -2.21 -0.07 0.00 1.25 0.00 0.00 42.46 41.30 2va1 s ILE 181 CO -0.11 0.03 0.79 -0.89 0.24 0.00 0.00 174.94 175.01 2va1 s THR 182 N -1.28 4.74 0.07 8.37 2.01 -1.26 -1.92 115.64 126.37 2va1 s THR 182 Ca 0.18 0.74 -0.31 0.00 0.31 0.00 0.00 61.69 62.61 2va1 s THR 182 Cb -0.10 -3.72 -0.18 0.00 0.01 0.00 0.00 72.50 68.52 2va1 s THR 182 CO 0.09 -0.50 1.61 -0.26 -0.69 0.00 0.00 174.62 174.87 2va1 h PHE 183 N 1.32 -0.67 -0.88 4.92 -1.00 -1.82 -1.81 116.94 117.00 2va1 h PHE 183 Ca -0.47 -0.02 0.18 0.00 2.81 0.00 0.00 57.97 60.48 2va1 h PHE 183 Cb 1.19 0.22 -0.07 0.00 3.61 0.00 0.00 35.95 40.90 2va1 h PHE 183 CO 0.61 -0.41 0.58 -0.91 -1.61 0.00 0.00 178.31 176.57 2va1 h ASN 184 N -0.75 0.47 -0.50 2.17 2.35 -1.96 -0.54 115.58 116.81 2va1 h ASN 184 Ca -0.07 0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 2va1 h ASN 184 Cb 0.57 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 2va1 h ASN 184 CO 0.12 0.20 -0.03 -0.03 -1.65 0.00 0.00 177.43 176.05 2va1 h MET 185 N 0.48 0.91 -0.51 0.81 4.05 -1.92 -1.93 114.93 116.81 2va1 h MET 185 Ca 0.45 -0.30 -0.00 0.00 -0.28 0.00 0.00 59.70 59.57 2va1 h MET 185 Cb 1.02 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.72 2va1 h MET 185 CO -0.18 0.95 0.31 0.00 0.23 0.00 0.00 176.91 178.22 2va1 h ALA 186 N 0.93 1.58 0.04 0.39 0.00 -0.22 0.48 119.26 122.45 2va1 h ALA 186 Ca 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2va1 h ALA 186 Cb 0.56 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2va1 h ALA 186 CO 0.03 0.37 -0.02 1.25 0.00 0.00 0.00 179.25 180.88 2va1 h LEU 187 N 0.70 -0.04 -0.77 0.00 5.85 -1.22 0.47 115.31 120.29 2va1 h LEU 187 Ca 0.18 -0.52 0.08 0.00 0.84 0.00 0.00 57.88 58.47 2va1 h LEU 187 Cb -0.03 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 2va1 h LEU 187 CO -0.04 0.51 0.44 0.74 -0.34 0.00 0.00 178.44 179.76 2va1 h THR 188 N -0.62 0.94 0.00 1.05 2.02 -1.18 -0.94 112.91 114.18 2va1 h THR 188 Ca -0.01 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.91 2va1 h THR 188 Cb 0.56 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 2va1 h THR 188 CO 0.01 0.14 0.00 -0.61 0.37 0.00 0.00 175.52 175.43 2va1 h GLN 189 N 0.77 0.00 -2.81 6.66 5.75 -0.92 -3.47 115.11 121.09 2va1 h GLN 189 Ca 0.36 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.66 2va1 h GLN 189 Cb 0.29 0.00 0.04 0.00 1.07 0.00 0.00 27.48 28.88 2va1 h GLN 189 CO -0.22 0.00 -0.32 -1.71 -2.65 0.00 0.00 178.83 173.93 2va1 n ASN 190 N -2.62 -3.96 -4.83 -0.69 2.85 -0.30 -5.02 115.26 100.70 2va1 n ASN 190 Ca 0.03 -0.19 -0.35 0.00 -0.11 0.00 0.00 54.58 53.96 2va1 n ASN 190 Cb 0.36 -2.74 -0.06 0.00 1.24 0.00 0.00 39.78 38.58 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 -3.78 4.28 -1.03 1.20 1.43 0.00 -5.01 118.68 115.77 2va1 s LEU 191 Ca 0.20 1.36 -0.03 0.00 -1.03 0.00 0.00 54.13 54.63 2va1 s LEU 191 Cb -0.09 -3.68 0.30 0.00 0.03 0.00 0.00 46.19 42.76 2va1 s LEU 191 CO 0.25 -0.02 1.43 0.29 0.23 0.00 0.00 176.35 178.53 2va1 n LYS 192 N 0.47 4.34 0.06 1.70 5.02 -1.26 -4.78 118.16 123.71 2va1 n LYS 192 Ca -0.01 -4.58 -0.12 0.00 -2.02 0.00 0.00 58.31 51.58 2va1 n LYS 192 Cb 0.52 -2.48 -0.08 0.00 -0.02 0.00 0.00 35.03 32.96 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 3.34 0.94 -4.08 -0.18 2.07 -1.94 -3.46 116.25 112.94 2va1 h VAL 193 Ca 0.21 -1.08 -0.33 0.00 0.82 0.00 0.00 66.70 66.32 2va1 h VAL 193 Cb 0.60 1.54 -0.15 0.00 -1.52 0.00 0.00 31.29 31.76 2va1 h VAL 193 CO 1.28 0.23 -0.60 -0.04 0.02 0.00 0.00 177.57 178.46 2va1 s MET 194 N -3.72 1.38 0.79 1.57 -1.94 -1.26 -5.14 119.30 110.99 2va1 s MET 194 Ca -0.14 -1.75 -0.13 0.00 -1.71 0.00 0.00 55.69 51.97 2va1 s MET 194 Cb 0.01 -0.06 0.07 0.00 2.01 0.00 0.00 34.83 36.86 2va1 s MET 194 CO 0.52 -0.36 1.16 0.16 -0.01 0.00 0.00 175.02 176.50 2va1 s ASP 195 N -3.28 3.95 0.33 3.03 -4.77 -1.26 -4.79 116.67 109.89 2va1 s ASP 195 Ca 0.38 2.18 0.06 0.00 -3.30 0.00 0.00 52.55 51.87 2va1 s ASP 195 Cb 0.07 -2.57 0.73 0.00 -1.09 0.00 0.00 42.92 40.06 2va1 s ASP 195 CO 0.14 -2.42 1.86 0.00 0.70 0.00 0.00 175.17 175.45 2va1 h ALA 196 N -0.88 1.73 -0.25 2.11 0.00 -1.99 -2.05 119.26 117.92 2va1 h ALA 196 Ca -0.45 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2va1 h ALA 196 Cb 1.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2va1 h ALA 196 CO 0.48 0.03 0.01 1.15 0.00 0.00 0.00 179.25 180.92 2va1 h THR 197 N 0.79 1.25 -0.81 0.00 2.02 -2.00 -1.22 112.91 112.95 2va1 h THR 197 Ca 0.46 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 2va1 h THR 197 Cb 0.62 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 2va1 h THR 197 CO -0.22 0.27 0.48 0.00 0.37 0.00 0.00 175.52 176.42 2va1 h ALA 198 N 0.82 1.04 -0.20 6.16 0.00 -1.77 -1.36 119.26 123.95 2va1 h ALA 198 Ca 0.07 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2va1 h ALA 198 Cb 0.39 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2va1 h ALA 198 CO 0.01 0.51 0.11 -0.07 0.00 0.00 0.00 179.25 179.82 2va1 h LEU 199 N 1.12 0.19 -0.41 0.00 3.38 -1.23 -1.32 115.31 117.03 2va1 h LEU 199 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2va1 h LEU 199 Cb -0.02 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2va1 h LEU 199 CO -0.05 0.14 0.27 0.00 0.09 0.00 0.00 178.44 178.88 2va1 h ALA 200 N 1.08 0.51 -0.47 1.53 0.00 -0.97 -1.25 119.26 119.70 2va1 h ALA 200 Ca 0.08 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.02 2va1 h ALA 200 Cb -0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2va1 h ALA 200 CO -0.03 -0.03 0.14 -0.07 0.00 0.00 0.00 179.25 179.26 2va1 h LEU 201 N 0.55 0.12 -0.47 0.00 4.07 -1.13 0.03 115.31 118.48 2va1 h LEU 201 Ca 0.15 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.15 2va1 h LEU 201 Cb -0.06 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 2va1 h LEU 201 CO -0.03 0.10 0.20 0.00 -1.08 0.00 0.00 178.44 177.62 2va1 h GLN 203 N 0.61 0.29 -0.81 0.00 4.20 -0.98 0.22 115.11 118.64 2va1 h GLN 203 Ca 0.16 -0.07 0.10 0.00 0.06 0.00 0.00 58.65 58.90 2va1 h GLN 203 Cb 0.18 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.86 2va1 h GLN 203 CO -0.01 0.42 0.53 1.49 -0.67 0.00 0.00 178.83 180.59 2va1 h GLU 204 N 0.11 0.71 -0.22 1.46 4.81 -0.96 -2.86 114.58 117.63 2va1 h GLU 204 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2va1 h GLU 204 Cb 0.26 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2va1 h GLU 204 CO 0.00 0.47 0.00 0.09 -0.73 0.00 0.00 179.01 178.84 2va1 n ASN 205 N -4.51 3.41 -3.78 1.04 3.02 -1.03 -5.00 115.26 108.40 2va1 n ASN 205 Ca 0.14 -2.81 -0.23 0.00 -0.03 0.00 0.00 54.58 51.66 2va1 n ASN 205 Cb 0.35 -0.45 0.01 0.00 -0.61 0.00 0.00 39.78 39.09 2va1 n ASN 205 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2va1 n ASN 206 N -0.47 -1.02 -4.62 6.41 3.02 -0.55 -4.98 115.26 113.04 2va1 n ASN 206 Ca 0.18 -0.89 -0.35 0.00 -0.03 0.00 0.00 54.58 53.49 2va1 n ASN 206 Cb 0.75 -3.70 -0.10 0.00 -0.61 0.00 0.00 39.78 36.12 2va1 n ASN 206 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2va1 s ILE 207 N -3.76 4.91 0.34 2.41 1.01 0.67 -4.87 121.20 121.91 2va1 s ILE 207 Ca 0.02 0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.63 2va1 s ILE 207 Cb -0.01 -3.25 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 2va1 s ILE 207 CO 0.84 0.42 0.63 0.20 0.00 0.00 0.00 174.94 177.02 2va1 s ASN 208 N 0.69 6.44 0.04 3.58 0.01 0.24 -4.60 114.94 121.34 2va1 s ASN 208 Ca 0.05 0.82 0.04 0.00 -0.71 0.00 0.00 52.86 53.06 2va1 s ASN 208 Cb -0.13 -2.19 -0.04 0.00 0.41 0.00 0.00 41.25 39.31 2va1 s ASN 208 CO 0.02 -0.28 -0.07 -0.76 -1.51 0.00 0.00 177.10 174.50 2va1 s LEU 209 N -3.76 3.17 -0.43 0.60 1.43 -0.65 -0.43 118.68 118.60 2va1 s LEU 209 Ca 0.46 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.37 2va1 s LEU 209 Cb -0.10 -1.87 0.12 0.00 0.03 0.00 0.00 46.19 44.37 2va1 s LEU 209 CO 0.32 0.24 0.20 -0.22 0.23 0.00 0.00 176.35 177.12 2va1 s LEU 210 N -1.73 3.40 -0.13 1.79 1.98 0.13 -1.08 118.68 123.04 2va1 s LEU 210 Ca 0.19 -2.55 -0.20 0.00 -2.89 0.00 0.00 54.13 48.68 2va1 s LEU 210 Cb -0.11 -1.28 -0.04 0.00 0.66 0.00 0.00 46.19 45.43 2va1 s LEU 210 CO 0.10 -0.29 0.57 -0.69 -1.89 0.00 0.00 176.35 174.15 2va1 s VAL 211 N 0.40 5.11 0.27 1.68 1.01 0.32 -0.24 120.40 128.94 2va1 s VAL 211 Ca 0.16 1.12 -0.15 0.00 0.00 0.00 0.00 61.98 63.11 2va1 s VAL 211 Cb -0.23 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.25 2va1 s VAL 211 CO -0.04 0.24 0.56 0.72 0.00 0.00 0.00 175.10 176.58 2va1 s PHE 212 N 1.08 0.23 -0.39 5.22 -0.12 -1.07 -0.81 117.98 122.12 2va1 s PHE 212 Ca 0.29 -0.62 -0.23 0.00 -0.05 0.00 0.00 56.93 56.31 2va1 s PHE 212 Cb -0.16 0.35 0.01 0.00 -0.63 0.00 0.00 43.02 42.60 2va1 s PHE 212 CO 0.12 -1.09 0.80 1.21 -0.05 0.00 0.00 175.22 176.20 2va1 s ASN 213 N -3.00 6.53 0.18 1.98 2.47 -1.17 -0.16 114.94 121.76 2va1 s ASN 213 Ca 0.19 0.26 0.24 0.00 0.42 0.00 0.00 52.86 53.98 2va1 s ASN 213 Cb -0.02 -2.40 0.36 0.00 -1.45 0.00 0.00 41.25 37.73 2va1 s ASN 213 CO 0.09 -0.79 1.37 -0.29 -3.72 0.00 0.00 177.10 173.76 2va1 h ILE 214 N 5.82 0.00 0.00 -5.21 2.10 -1.41 -3.32 117.51 115.48 2va1 h ILE 214 Ca -0.25 -0.62 -0.06 0.00 1.08 0.00 0.00 64.86 65.01 2va1 h ILE 214 Cb 1.09 1.29 -0.01 0.00 -1.09 0.00 0.00 36.82 38.10 2va1 h ILE 214 CO 0.93 0.00 -0.28 0.44 -1.08 0.00 0.00 178.15 178.16 2va1 h ASP 215 N 0.00 0.00 -4.02 2.19 3.32 -1.92 -3.44 116.42 112.55 2va1 h ASP 215 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2va1 h ASP 215 Cb 0.81 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.47 2va1 h ASP 215 CO 0.00 0.28 0.58 -0.54 -1.72 0.00 0.00 179.24 177.83 2va1 s LYS 216 N -4.38 3.46 0.26 3.56 1.02 -1.25 -4.95 119.74 117.46 2va1 s LYS 216 Ca -0.03 2.09 -0.31 0.00 0.02 0.00 0.00 55.97 57.74 2va1 s LYS 216 Cb 0.15 -2.39 -0.11 0.00 -0.52 0.00 0.00 37.83 34.96 2va1 s LYS 216 CO 0.71 -0.88 1.63 -2.14 -0.92 0.00 0.00 175.35 173.74 2va1 s PRO 217 N -2.74 4.12 -1.67 -1.68 0.02 -1.26 -2.53 135.00 129.27 2va1 s PRO 217 Ca 0.67 2.58 0.00 0.00 0.02 0.00 0.00 61.00 64.27 2va1 s PRO 217 Cb -0.37 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.11 2va1 s PRO 217 CO 0.44 -0.67 0.00 -1.71 -0.33 0.00 0.00 177.00 174.73 2va1 n ASN 218 N 2.78 -5.23 -0.19 2.53 4.05 -1.26 -4.91 115.26 113.03 2va1 n ASN 218 Ca 0.11 0.14 -0.05 0.00 0.45 0.00 0.00 54.58 55.23 2va1 n ASN 218 Cb 0.37 -4.44 0.05 0.00 1.23 0.00 0.00 39.78 36.98 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 0.82 0.71 -0.33 5.20 0.00 -1.78 -0.80 119.26 123.08 2va1 h ALA 219 Ca -0.42 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 2va1 h ALA 219 Cb 1.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2va1 h ALA 219 CO 0.53 0.05 -0.22 0.82 0.00 0.00 0.00 179.25 180.43 2va1 h ILE 220 N 0.66 1.29 -0.45 0.00 2.04 -1.89 -1.81 117.51 117.35 2va1 h ILE 220 Ca 0.22 -1.36 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 2va1 h ILE 220 Cb 0.03 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2va1 h ILE 220 CO -0.10 0.44 0.18 0.58 0.00 0.00 0.00 178.15 179.26 2va1 h VAL 221 N 0.50 1.20 -0.68 1.67 2.07 -1.85 -3.14 116.25 116.02 2va1 h VAL 221 Ca 0.07 -0.62 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 2va1 h VAL 221 Cb 0.77 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2va1 h VAL 221 CO 0.06 0.23 0.11 0.44 0.02 0.00 0.00 177.57 178.43 2va1 h ASP 222 N 0.58 1.08 0.68 0.57 3.32 -1.02 -2.90 116.42 118.73 2va1 h ASP 222 Ca 0.15 -0.26 -0.08 0.00 0.02 0.00 0.00 57.03 56.86 2va1 h ASP 222 Cb 0.18 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2va1 h ASP 222 CO -0.01 1.06 -0.38 1.62 -1.72 0.00 0.00 179.24 179.81 2va1 h VAL 223 N 1.05 0.99 0.00 -1.35 3.04 -1.34 0.23 116.25 118.86 2va1 h VAL 223 Ca 0.21 -1.45 0.00 0.00 -1.01 0.00 0.00 66.70 64.44 2va1 h VAL 223 Cb 0.44 1.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 2va1 h VAL 223 CO 0.01 0.37 0.00 -0.07 -1.01 0.00 0.00 177.57 176.87 2va1 h LEU 224 N 0.00 0.00 -2.56 3.16 3.38 -1.48 -2.65 115.31 115.16 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 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2va1 h LEU 224 CO 0.05 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.96 2va1 n GLU 225 N -2.97 2.63 -2.05 1.13 1.02 -0.83 -4.96 120.64 114.62 2va1 n GLU 225 Ca 0.04 -2.50 -0.18 0.00 -0.02 0.00 0.00 57.16 54.50 2va1 n GLU 225 Cb 0.48 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 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 1.51 -1.40 0.10 3.49 4.76 -0.60 -4.92 118.16 121.09 2va1 n LYS 226 Ca 0.23 0.99 -0.15 0.00 -2.87 0.00 0.00 58.31 56.51 2va1 n LYS 226 Cb 0.59 -5.42 -0.14 0.00 -1.84 0.00 0.00 35.03 28.22 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 0.24 0.00 1.97 1.57 -0.84 -3.48 116.57 116.03 2va1 h LYS 227 Ca -0.42 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 57.96 2va1 h LYS 227 Cb 1.28 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.74 2va1 h LYS 227 CO 0.53 1.19 0.00 0.09 -0.57 0.00 0.00 179.45 180.69 2va1 n ASN 228 N -3.51 1.14 -4.70 0.86 3.02 -1.26 -5.05 115.26 105.76 2va1 n ASN 228 Ca -0.08 -0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 53.94 2va1 n ASN 228 Cb 1.01 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 40.16 2va1 n ASN 228 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2va1 s LYS 229 N 1.41 4.49 0.08 3.52 1.02 -1.26 -5.03 119.74 123.97 2va1 s LYS 229 Ca 0.00 1.36 -0.18 0.00 0.02 0.00 0.00 55.97 57.17 2va1 s LYS 229 Cb 0.00 -3.50 0.04 0.00 -0.52 0.00 0.00 37.83 33.85 2va1 s LYS 229 CO 0.00 -0.16 0.43 1.52 -0.92 0.00 0.00 175.35 176.22 2va1 s TYR 230 N 1.44 -0.27 -0.13 3.18 1.13 -1.26 -4.57 117.35 116.86 2va1 s TYR 230 Ca 0.49 0.12 -0.02 0.00 -1.41 0.00 0.00 57.07 56.26 2va1 s TYR 230 Cb -0.20 0.26 -0.02 0.00 -1.10 0.00 0.00 41.96 40.91 2va1 s TYR 230 CO 0.23 -0.64 -0.08 0.99 -2.51 0.00 0.00 175.55 173.53 2va1 s THR 231 N -3.07 3.53 -0.22 -3.49 2.01 0.01 -4.69 115.64 109.73 2va1 s THR 231 Ca -0.02 -0.50 -0.07 0.00 0.31 0.00 0.00 61.69 61.41 2va1 s THR 231 Cb 0.00 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 2va1 s THR 231 CO -0.07 0.52 0.07 -0.51 -0.69 0.00 0.00 174.62 173.94 2va1 s ILE 232 N 0.16 4.55 -0.17 1.82 2.07 -0.87 -0.52 121.20 128.24 2va1 s ILE 232 Ca -0.04 -0.10 -0.04 0.00 -1.41 0.00 0.00 60.65 59.06 2va1 s ILE 232 Cb -0.14 -3.09 -0.02 0.00 0.13 0.00 0.00 42.46 39.33 2va1 s ILE 232 CO 0.04 0.39 -0.03 -0.69 -1.91 0.00 0.00 174.94 172.74 2va1 s VAL 233 N 1.02 3.83 0.12 4.00 1.01 -0.24 -1.71 120.40 128.43 2va1 s VAL 233 Ca 0.04 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 2va1 s VAL 233 Cb -0.14 -2.70 0.03 0.00 0.00 0.00 0.00 36.38 33.57 2va1 s VAL 233 CO 0.03 0.47 0.36 -0.94 0.00 0.00 0.00 175.10 175.02 2va1 s SER 234 N 0.65 -0.17 0.00 3.32 1.04 -0.81 -1.63 113.70 116.11 2va1 s SER 234 Ca -0.02 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2va1 s SER 234 Cb -0.14 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2va1 s SER 234 CO 0.02 -0.83 0.00 1.17 0.98 0.00 0.00 173.24 174.59