#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2va0 h PRO 50 N 0.00 0.51 -0.87 -1.46 0.11 -2.01 -2.21 132.00 126.06 2va0 h PRO 50 Ca 0.00 -0.23 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2va0 h PRO 50 Cb 0.00 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.06 2va0 h PRO 50 CO 0.00 0.79 0.57 0.00 -0.21 0.00 0.00 178.00 179.14 2va0 h ALA 51 N 0.71 1.35 -0.20 -0.75 0.00 -1.97 -0.41 119.26 118.00 2va0 h ALA 51 Ca 0.05 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2va0 h ALA 51 Cb 0.64 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2va0 h ALA 51 CO 0.04 0.59 -0.24 -0.22 0.00 0.00 0.00 179.25 179.42 2va0 h LYS 52 N 1.19 0.51 0.00 0.00 3.64 -1.93 -1.04 116.57 118.95 2va0 h LYS 52 Ca 0.32 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 2va0 h LYS 52 Cb -0.11 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2va0 h LYS 52 CO -0.07 0.88 -0.25 0.00 -2.27 0.00 0.00 179.45 177.74 2va0 h ARG 53 N 0.18 0.00 -0.12 1.90 3.08 -1.30 -1.08 114.38 117.04 2va0 h ARG 53 Ca 0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2va0 h ARG 53 Cb 0.80 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 2va0 h ARG 53 CO 0.06 0.25 0.03 1.25 -1.07 0.00 0.00 179.97 180.49 2va0 h LEU 54 N 0.00 0.17 -0.41 3.04 5.85 -0.78 -2.18 115.31 121.01 2va0 h LEU 54 Ca -0.00 -0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.59 2va0 h LEU 54 Cb 0.46 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.36 2va0 h LEU 54 CO 0.03 0.35 -0.22 0.25 -0.34 0.00 0.00 178.44 178.51 2va0 h LEU 55 N -0.01 -0.74 0.04 2.25 5.85 -0.82 0.83 115.31 122.71 2va0 h LEU 55 Ca 0.04 0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.95 2va0 h LEU 55 Cb 0.24 0.39 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 2va0 h LEU 55 CO -0.00 -0.24 -0.36 0.15 -0.34 0.00 0.00 178.44 177.64 2va0 h PHE 56 N -0.14 -1.01 -0.73 1.25 3.57 -1.12 0.12 116.94 118.88 2va0 h PHE 56 Ca 0.20 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 2va0 h PHE 56 Cb 0.45 0.44 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 2va0 h PHE 56 CO -0.46 -0.46 0.23 0.37 -2.23 0.00 0.00 178.31 175.76 2va0 h GLN 57 N -0.54 1.12 -0.42 1.11 5.75 -1.10 -1.05 115.11 119.99 2va0 h GLN 57 Ca 0.05 -0.24 -0.02 0.00 -0.15 0.00 0.00 58.65 58.29 2va0 h GLN 57 Cb 0.61 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.98 2va0 h GLN 57 CO -0.27 0.96 0.19 1.98 -2.65 0.00 0.00 178.83 179.04 2va0 h MET 58 N 1.08 0.61 -0.28 1.69 4.05 -0.19 -2.09 114.93 119.80 2va0 h MET 58 Ca 0.24 -0.10 -0.04 0.00 -0.28 0.00 0.00 59.70 59.52 2va0 h MET 58 Cb 0.30 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 2va0 h MET 58 CO -0.01 0.54 0.03 0.28 0.23 0.00 0.00 176.91 177.98 2va0 h VAL 59 N 0.53 1.24 -0.53 -5.77 2.07 -0.60 0.16 116.25 113.34 2va0 h VAL 59 Ca 0.14 -0.84 0.14 0.00 0.82 0.00 0.00 66.70 66.95 2va0 h VAL 59 Cb 0.15 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 2va0 h VAL 59 CO -0.02 0.27 0.38 1.23 0.02 0.00 0.00 177.57 179.45 2va0 h GLY 60 N 0.28 0.15 0.52 2.17 0.00 -1.01 -1.38 103.07 103.81 2va0 h GLY 60 Ca 0.08 -0.04 -0.28 0.00 0.00 0.00 0.00 47.33 47.09 2va0 h GLY 60 CO 0.01 0.02 -1.46 -0.57 0.00 0.00 0.00 176.54 174.54 2va0 h ASN 61 N 0.10 0.36 0.13 0.19 -0.73 -1.07 -3.39 115.58 111.16 2va0 h ASN 61 Ca 0.25 -0.84 -0.08 0.00 1.87 0.00 0.00 56.30 57.50 2va0 h ASN 61 Cb 0.88 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.34 2va0 h ASN 61 CO -0.02 1.63 -0.27 0.00 -0.37 0.00 0.00 177.43 178.40 2va0 h ALA 62 N -0.06 1.30 -0.30 1.57 0.00 -0.40 -3.01 119.26 118.36 2va0 h ALA 62 Ca -0.32 -0.31 0.09 0.00 0.00 0.00 0.00 54.91 54.37 2va0 h ALA 62 Cb 1.76 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2va0 h ALA 62 CO 0.04 0.48 0.24 0.97 0.00 0.00 0.00 179.25 180.98 2va0 h ILE 63 N 0.22 0.70 -0.74 0.00 6.09 -1.46 -0.03 117.51 122.28 2va0 h ILE 63 Ca 0.03 0.00 -0.25 0.00 -1.37 0.00 0.00 64.86 63.28 2va0 h ILE 63 Cb 0.60 0.82 -0.15 0.00 0.47 0.00 0.00 36.82 38.57 2va0 h ILE 63 CO 0.04 0.00 0.31 0.59 -3.07 0.00 0.00 178.15 176.03 2va0 n ASN 64 N -4.22 4.59 -4.20 2.19 3.02 -1.13 -4.31 115.26 111.19 2va0 n ASN 64 Ca 0.04 -3.20 -0.14 0.00 -0.03 0.00 0.00 54.58 51.25 2va0 n ASN 64 Cb 0.40 -0.75 -0.10 0.00 -0.61 0.00 0.00 39.78 38.72 2va0 n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2va0 s ARG 65 N -2.89 0.93 0.55 3.52 0.52 -0.03 -4.96 118.95 116.60 2va0 s ARG 65 Ca 0.53 -1.30 0.08 0.00 -0.52 0.00 0.00 55.73 54.51 2va0 s ARG 65 Cb 0.42 -0.52 0.07 0.00 0.52 0.00 0.00 34.95 35.45 2va0 s ARG 65 CO 0.13 0.06 0.76 0.54 0.02 0.00 0.00 175.30 176.81 2va0 s ASN 66 N -2.82 5.15 0.10 0.23 2.20 -1.26 -3.16 114.94 115.38 2va0 s ASN 66 Ca 0.11 -0.64 -0.23 0.00 -0.94 0.00 0.00 52.86 51.16 2va0 s ASN 66 Cb 0.01 -0.04 -0.11 0.00 -2.00 0.00 0.00 41.25 39.11 2va0 s ASN 66 CO -0.01 -1.25 1.72 0.74 -2.94 0.00 0.00 177.10 175.35 2va0 h THR 67 N 0.20 0.86 -0.28 0.54 2.02 -1.97 0.71 112.91 114.98 2va0 h THR 67 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.84 2va0 h THR 67 Cb 1.28 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 2va0 h THR 67 CO 0.42 0.00 0.18 -0.61 0.37 0.00 0.00 175.52 175.89 2va0 h GLN 68 N -0.09 0.37 -0.62 6.66 5.75 -1.99 0.12 115.11 125.31 2va0 h GLN 68 Ca 0.02 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 2va0 h GLN 68 Cb 0.12 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 2va0 h GLN 68 CO -0.06 0.25 0.26 1.96 -2.65 0.00 0.00 178.83 178.60 2va0 h GLN 69 N 0.38 0.92 -0.36 1.69 4.20 -1.89 -1.84 115.11 118.20 2va0 h GLN 69 Ca 0.10 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 2va0 h GLN 69 Cb -0.04 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 2va0 h GLN 69 CO -0.02 0.76 -0.15 1.25 -0.67 0.00 0.00 178.83 180.01 2va0 h LEU 70 N 0.86 0.65 -0.18 1.46 5.85 -0.58 -0.49 115.31 122.87 2va0 h LEU 70 Ca 0.21 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2va0 h LEU 70 Cb 0.18 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2va0 h LEU 70 CO -0.02 0.81 0.09 0.74 -0.34 0.00 0.00 178.44 179.72 2va0 h THR 71 N 0.59 1.13 0.00 1.05 2.02 -0.59 -1.75 112.91 115.37 2va0 h THR 71 Ca 0.10 -0.38 -0.15 0.00 0.77 0.00 0.00 66.41 66.76 2va0 h THR 71 Cb 0.59 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 2va0 h THR 71 CO 0.04 0.12 -0.69 0.06 0.37 0.00 0.00 175.52 175.42 2va0 h GLN 72 N 0.16 0.00 -0.64 6.66 3.07 -1.06 -1.09 115.11 122.21 2va0 h GLN 72 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.78 2va0 h GLN 72 Cb 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.65 2va0 h GLN 72 CO -0.01 0.69 0.33 -0.44 0.09 0.00 0.00 178.83 179.50 2va0 h ASP 73 N 0.00 0.81 -0.65 0.06 3.32 -0.98 -0.72 116.42 118.27 2va0 h ASP 73 Ca -0.01 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 2va0 h ASP 73 Cb 1.24 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 2va0 h ASP 73 CO 0.09 0.69 0.22 0.25 -1.72 0.00 0.00 179.24 178.78 2va0 h LEU 74 N 0.87 0.92 -1.35 1.55 5.85 -0.99 -2.25 115.31 119.92 2va0 h LEU 74 Ca 0.22 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 2va0 h LEU 74 Cb 0.07 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 2va0 h LEU 74 CO -0.03 0.87 -0.25 -0.09 -0.34 0.00 0.00 178.44 178.59 2va0 h ARG 75 N 0.92 0.12 0.00 1.25 2.43 -0.94 -2.77 114.38 115.38 2va0 h ARG 75 Ca 0.21 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2va0 h ARG 75 Cb 0.26 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2va0 h ARG 75 CO -0.01 0.36 0.00 0.00 -1.51 0.00 0.00 179.97 178.81 2va0 n ALA 76 N -2.48 1.78 -1.70 2.80 0.00 -0.30 -4.81 120.51 115.80 2va0 n ALA 76 Ca -0.02 0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 2va0 n ALA 76 Cb 0.33 -1.36 0.01 0.00 0.00 0.00 0.00 19.45 18.43 2va0 n ALA 76 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2va0 s MET 77 N -3.19 3.23 0.46 0.00 -1.94 -1.05 -4.99 119.30 111.81 2va0 s MET 77 Ca 0.06 1.52 -0.23 0.00 -1.71 0.00 0.00 55.69 55.33 2va0 s MET 77 Cb 0.10 -2.00 -0.07 0.00 2.01 0.00 0.00 34.83 34.87 2va0 s MET 77 CO 0.39 -0.93 1.19 -1.25 -0.01 0.00 0.00 175.02 174.41 2va0 s PRO 78 N -3.53 3.75 0.25 2.03 0.04 -1.26 -4.86 135.00 131.42 2va0 s PRO 78 Ca 0.70 1.83 -0.04 0.00 0.04 0.00 0.00 61.00 63.54 2va0 s PRO 78 Cb -0.22 -2.44 0.39 0.00 0.04 0.00 0.00 34.50 32.26 2va0 s PRO 78 CO 0.31 -0.57 1.86 -0.91 0.04 0.00 0.00 177.00 177.72 2va0 h ASN 79 N 2.09 0.90 -0.12 6.66 2.35 -1.94 -0.97 115.58 124.56 2va0 h ASN 79 Ca -0.49 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.31 2va0 h ASN 79 Cb 1.25 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.45 2va0 h ASN 79 CO 0.60 0.56 0.09 4.11 -1.65 0.00 0.00 177.43 181.14 2va0 h TRP 80 N 1.03 0.00 0.00 1.19 5.08 -2.03 -2.57 115.95 118.65 2va0 h TRP 80 Ca 0.41 0.00 -0.20 0.00 1.08 0.00 0.00 58.89 60.18 2va0 h TRP 80 Cb 0.22 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.35 2va0 h TRP 80 CO -0.02 0.00 -1.27 0.66 -1.28 0.00 0.00 178.44 176.53 2va0 h SER 81 N 0.00 0.00 -0.26 0.11 4.64 -1.57 -3.33 113.55 113.13 2va0 h SER 81 Ca 0.06 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 2va0 h SER 81 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 2va0 h SER 81 CO -0.00 0.77 0.00 -0.07 -0.87 0.00 0.00 176.83 176.66 2va0 h LEU 82 N 0.00 0.54 -1.58 5.97 3.38 -1.01 -2.44 115.31 120.18 2va0 h LEU 82 Ca -0.14 -0.11 0.46 0.00 0.09 0.00 0.00 57.88 58.18 2va0 h LEU 82 Cb 1.71 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 42.26 2va0 h LEU 82 CO 0.07 0.61 1.28 0.54 0.09 0.00 0.00 178.44 181.04 2va0 n ARG 83 N -4.27 0.00 -0.01 1.13 1.74 -1.12 -2.10 116.66 112.03 2va0 n ARG 83 Ca 0.02 1.00 0.04 0.00 -0.77 0.00 0.00 57.85 58.13 2va0 n ARG 83 Cb 0.26 -2.35 0.03 0.00 -1.02 0.00 0.00 32.46 29.37 2va0 n ARG 83 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2va0 n PHE 84 N -3.58 0.01 -4.27 -1.55 0.99 -0.92 -4.90 117.46 103.25 2va0 n PHE 84 Ca 0.36 -0.02 -0.18 0.00 -0.00 0.00 0.00 57.45 57.60 2va0 n PHE 84 Cb 1.76 -0.00 -0.15 0.00 -1.00 0.00 0.00 39.48 40.08 2va0 n PHE 84 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 2va0 s VAL 85 N -0.61 0.59 0.04 -4.37 1.01 -0.89 -1.47 120.40 114.69 2va0 s VAL 85 Ca 0.09 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.83 2va0 s VAL 85 Cb 0.06 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 2va0 s VAL 85 CO 0.09 0.19 -0.12 -0.31 0.00 0.00 0.00 175.10 174.95 2va0 s TYR 86 N 0.09 1.01 -0.25 5.22 1.51 0.36 -4.88 117.35 120.41 2va0 s TYR 86 Ca -0.01 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.68 2va0 s TYR 86 Cb -0.06 -0.60 0.06 0.00 -0.11 0.00 0.00 41.96 41.26 2va0 s TYR 86 CO -0.00 0.01 -0.04 0.42 -1.11 0.00 0.00 175.55 174.82 2va0 s ILE 87 N -0.98 1.59 -0.26 2.71 1.01 -1.26 -0.25 121.20 123.76 2va0 s ILE 87 Ca -0.02 -1.33 -0.10 0.00 0.00 0.00 0.00 60.65 59.20 2va0 s ILE 87 Cb -0.08 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 2va0 s ILE 87 CO 0.01 -0.16 0.14 -0.69 0.00 0.00 0.00 174.94 174.24 2va0 s VAL 88 N 1.35 5.05 0.75 2.92 1.01 0.49 -1.28 120.40 130.69 2va0 s VAL 88 Ca -0.04 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 2va0 s VAL 88 Cb -0.19 -3.37 0.17 0.00 0.00 0.00 0.00 36.38 32.99 2va0 s VAL 88 CO -0.07 0.31 1.03 -0.90 0.00 0.00 0.00 175.10 175.46 2va0 n ASP 89 N 4.72 0.28 0.29 3.32 5.68 0.83 -1.03 116.55 130.65 2va0 n ASP 89 Ca -0.15 -1.50 0.18 0.00 -0.50 0.00 0.00 54.79 52.82 2va0 n ASP 89 Cb 0.52 -0.76 0.96 0.00 -1.14 0.00 0.00 41.12 40.70 2va0 n ASP 89 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 2va0 h ARG 90 N 0.00 0.00 -0.64 0.11 2.43 -1.87 -1.01 114.38 113.40 2va0 h ARG 90 Ca -0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 2va0 h ARG 90 Cb 0.97 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2va0 h ARG 90 CO 0.25 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 178.80 2va0 n ASN 91 N -3.59 3.28 -2.70 -3.80 3.02 -1.26 -4.90 115.26 105.31 2va0 n ASN 91 Ca -0.02 -2.35 -0.22 0.00 -0.03 0.00 0.00 54.58 51.97 2va0 n ASN 91 Cb 0.16 -0.50 0.01 0.00 -0.61 0.00 0.00 39.78 38.85 2va0 n ASN 91 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2va0 n ASN 92 N 0.52 -6.06 -4.42 6.41 3.02 -0.38 -4.99 115.26 109.35 2va0 n ASN 92 Ca 0.16 -0.15 -0.33 0.00 -0.03 0.00 0.00 54.58 54.23 2va0 n ASN 92 Cb 0.65 -4.97 -0.14 0.00 -0.61 0.00 0.00 39.78 34.71 2va0 n ASN 92 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2va0 s GLN 93 N -5.37 2.97 0.50 3.52 -0.21 -1.26 -4.86 119.66 114.95 2va0 s GLN 93 Ca 0.15 -0.69 -0.23 0.00 0.02 0.00 0.00 55.36 54.61 2va0 s GLN 93 Cb -0.06 -2.51 -0.06 0.00 1.00 0.00 0.00 33.01 31.37 2va0 s GLN 93 CO 0.18 0.41 1.27 0.34 -2.12 0.00 0.00 175.29 175.37 2va0 s ASP 94 N -0.17 5.74 0.56 5.90 2.15 -1.26 -0.12 116.67 129.48 2va0 s ASP 94 Ca -0.00 2.55 0.29 0.00 0.43 0.00 0.00 52.55 55.82 2va0 s ASP 94 Cb -0.13 -2.62 1.67 0.00 -0.30 0.00 0.00 42.92 41.54 2va0 s ASP 94 CO 0.03 -1.23 2.18 -0.07 -0.17 0.00 0.00 175.17 175.91 2va0 h LEU 95 N 1.80 0.00 -3.38 -1.34 3.38 -1.57 0.18 115.31 114.38 2va0 h LEU 95 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2va0 h LEU 95 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2va0 h LEU 95 CO 0.59 0.05 0.00 0.18 0.09 0.00 0.00 178.44 179.35 2va0 n LEU 96 N -3.75 5.36 -2.24 1.67 4.77 -1.26 -4.95 117.00 116.60 2va0 n LEU 96 Ca -0.02 -2.71 -0.19 0.00 -0.03 0.00 0.00 56.01 53.05 2va0 n LEU 96 Cb 0.15 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.57 2va0 n LEU 96 CO 0.28 0.72 -0.23 0.29 -1.33 0.00 0.00 177.39 177.12 2va0 n LYS 97 N 0.88 -1.74 -2.77 3.23 4.76 0.65 -4.97 118.16 118.19 2va0 n LYS 97 Ca 0.27 0.95 -0.36 0.00 -2.87 0.00 0.00 58.31 56.30 2va0 n LYS 97 Cb 1.07 -5.54 -0.06 0.00 -1.84 0.00 0.00 35.03 28.66 2va0 n LYS 97 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2va0 s ARG 98 N -4.76 4.48 0.37 1.97 0.52 -1.26 -4.93 118.95 115.34 2va0 s ARG 98 Ca 0.00 1.29 -0.28 0.00 -0.52 0.00 0.00 55.73 56.23 2va0 s ARG 98 Cb 0.00 -2.65 -0.10 0.00 0.52 0.00 0.00 34.95 32.72 2va0 s ARG 98 CO 0.00 0.19 1.37 -1.25 0.02 0.00 0.00 175.30 175.63 2va0 s PRO 99 N -2.32 4.17 -0.28 3.54 0.04 -1.26 -4.44 135.00 134.45 2va0 s PRO 99 Ca 0.53 2.34 -0.25 0.00 0.04 0.00 0.00 61.00 63.66 2va0 s PRO 99 Cb -0.17 -2.96 -0.00 0.00 0.04 0.00 0.00 34.50 31.41 2va0 s PRO 99 CO 0.22 -0.39 0.84 -0.51 0.04 0.00 0.00 177.00 177.20 2va0 s LEU 100 N -2.05 4.07 0.73 -3.56 1.43 -1.26 -5.03 118.68 113.00 2va0 s LEU 100 Ca 0.52 0.90 -0.16 0.00 -1.03 0.00 0.00 54.13 54.36 2va0 s LEU 100 Cb -0.42 -3.19 0.02 0.00 0.03 0.00 0.00 46.19 42.63 2va0 s LEU 100 CO 0.56 -0.60 1.06 -2.65 0.23 0.00 0.00 176.35 174.95 2va0 n PRO 101 N 6.19 0.54 -2.09 1.29 -0.02 -1.26 -4.88 135.00 134.76 2va0 n PRO 101 Ca 0.06 0.24 -0.38 0.00 -2.02 0.00 0.00 63.50 61.40 2va0 n PRO 101 Cb 0.48 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2va0 n PRO 101 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2va0 s PRO 102 N -3.48 3.64 0.00 0.52 0.04 -1.26 -2.42 135.00 132.05 2va0 s PRO 102 Ca 0.75 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.76 2va0 s PRO 102 Cb -0.34 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.76 2va0 s PRO 102 CO 0.49 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 177.23 2va0 n GLY 103 N 0.57 3.18 0.34 0.56 0.00 -1.26 -4.84 105.19 103.74 2va0 n GLY 103 Ca 0.07 -0.97 0.05 0.00 0.00 0.00 0.00 46.02 45.18 2va0 n GLY 103 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2va0 h ILE 104 N 0.00 0.92 0.00 -0.61 1.08 -1.82 -1.09 117.51 115.99 2va0 h ILE 104 Ca 0.00 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 2va0 h ILE 104 Cb 0.00 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 33.68 2va0 h ILE 104 CO 0.00 0.17 0.00 0.23 -0.69 0.00 0.00 178.15 177.86 2va0 n MET 105 N -4.67 0.15 0.07 2.37 2.81 -1.26 -0.41 117.12 116.17 2va0 n MET 105 Ca 0.16 0.07 -0.21 0.00 -1.81 0.00 0.00 57.70 55.91 2va0 n MET 105 Cb 0.31 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.19 2va0 n MET 105 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2va0 h VAL 106 N 0.00 1.39 0.10 2.03 2.07 -1.59 -3.40 116.25 116.85 2va0 h VAL 106 Ca 0.00 -2.45 -0.19 0.00 0.82 0.00 0.00 66.70 64.88 2va0 h VAL 106 Cb 0.35 2.91 0.02 0.00 -1.52 0.00 0.00 31.29 33.04 2va0 h VAL 106 CO 0.00 0.72 -0.81 0.25 0.02 0.00 0.00 177.57 177.75 2va0 h LEU 107 N -0.04 0.54 -0.13 2.57 5.85 -1.03 -3.40 115.31 119.67 2va0 h LEU 107 Ca -0.16 -0.88 0.05 0.00 0.84 0.00 0.00 57.88 57.72 2va0 h LEU 107 Cb 1.75 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.55 2va0 h LEU 107 CO 0.19 1.37 -0.22 0.00 -0.34 0.00 0.00 178.44 179.45 2va0 h ALA 108 N 0.18 -0.18 0.00 1.25 0.00 -0.94 -1.70 119.26 117.88 2va0 h ALA 108 Ca -0.13 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2va0 h ALA 108 Cb 1.58 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2va0 h ALA 108 CO 0.15 -0.67 0.21 -1.35 0.00 0.00 0.00 179.25 177.59 2va0 h PRO 109 N -0.28 0.00 0.00 0.00 0.11 -1.78 -1.58 132.00 128.48 2va0 h PRO 109 Ca 0.10 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.13 2va0 h PRO 109 Cb 0.42 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 2va0 h PRO 109 CO -0.29 0.00 -0.57 0.00 -0.21 0.00 0.00 178.00 176.93 2va0 h ARG 110 N 0.00 0.00 -5.94 1.05 3.08 -1.53 -3.45 114.38 107.59 2va0 h ARG 110 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 2va0 h ARG 110 Cb 0.42 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 2va0 h ARG 110 CO 0.00 0.33 0.63 -0.51 -1.07 0.00 0.00 179.97 179.35 2va0 s LEU 111 N -6.23 4.09 0.07 3.04 1.43 -0.60 -4.79 118.68 115.70 2va0 s LEU 111 Ca 0.03 1.21 -0.06 0.00 -1.03 0.00 0.00 54.13 54.28 2va0 s LEU 111 Cb 0.07 -3.36 -0.01 0.00 0.03 0.00 0.00 46.19 42.91 2va0 s LEU 111 CO 0.74 -0.59 0.11 0.28 0.23 0.00 0.00 176.35 177.13 2va0 s THR 112 N 3.00 0.17 0.24 5.49 -1.32 -0.19 -4.87 115.64 118.15 2va0 s THR 112 Ca 0.40 -1.38 -0.05 0.00 -1.21 0.00 0.00 61.69 59.45 2va0 s THR 112 Cb -0.15 -1.37 0.21 0.00 -1.51 0.00 0.00 72.50 69.68 2va0 s THR 112 CO 0.07 -0.76 1.84 0.00 -2.21 0.00 0.00 174.62 173.56 2va0 h ALA 113 N 2.94 1.17 0.00 11.08 0.00 -1.94 -1.64 119.26 130.86 2va0 h ALA 113 Ca -0.34 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 2va0 h ALA 113 Cb 1.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2va0 h ALA 113 CO 0.59 0.22 -0.63 0.87 0.00 0.00 0.00 179.25 180.30 2va0 h LYS 114 N 0.91 0.00 -2.48 0.00 1.57 -1.97 -3.39 116.57 111.21 2va0 h LYS 114 Ca 0.38 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.56 2va0 h LYS 114 Cb 0.22 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.15 2va0 h LYS 114 CO -0.19 0.63 -0.91 0.72 -0.57 0.00 0.00 179.45 179.13 2va0 n HIS 115 N -3.41 -0.21 0.24 -1.35 8.25 -1.03 -5.01 115.22 112.71 2va0 n HIS 115 Ca 0.00 -3.48 0.14 0.00 -0.26 0.00 0.00 57.72 54.12 2va0 n HIS 115 Cb 0.73 0.11 0.33 0.00 1.12 0.00 0.00 29.99 32.27 2va0 n HIS 115 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2va0 h PRO 116 N 5.57 0.00 -6.62 -0.41 0.13 -1.51 -0.50 132.00 128.66 2va0 h PRO 116 Ca 0.25 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.69 2va0 h PRO 116 Cb 0.88 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.77 2va0 h PRO 116 CO 0.43 0.01 -0.84 -0.47 -0.23 0.00 0.00 178.00 176.90 2va0 s TYR 117 N -3.35 2.46 0.07 1.56 5.04 -1.26 -1.18 117.35 120.69 2va0 s TYR 117 Ca 0.05 -0.33 -0.26 0.00 -2.44 0.00 0.00 57.07 54.09 2va0 s TYR 117 Cb 0.06 -1.45 0.09 0.00 0.35 0.00 0.00 41.96 41.01 2va0 s TYR 117 CO 0.63 0.17 0.81 0.34 -1.34 0.00 0.00 175.55 176.16 2va0 s ASP 118 N -1.23 -0.40 -0.02 4.32 2.15 -0.95 -4.97 116.67 115.57 2va0 s ASP 118 Ca 0.13 -0.07 0.02 0.00 0.43 0.00 0.00 52.55 53.06 2va0 s ASP 118 Cb -0.10 0.47 0.00 0.00 -0.30 0.00 0.00 42.92 42.99 2va0 s ASP 118 CO 0.03 -0.78 -0.08 -0.75 -0.17 0.00 0.00 175.17 173.42 2va0 s LYS 119 N -3.35 0.80 0.00 4.34 2.20 -1.26 -0.85 119.74 121.62 2va0 s LYS 119 Ca 0.05 -0.25 0.03 0.00 -0.36 0.00 0.00 55.97 55.43 2va0 s LYS 119 Cb -0.01 -0.76 -0.01 0.00 -1.51 0.00 0.00 37.83 35.53 2va0 s LYS 119 CO -0.08 0.10 -0.08 0.54 -0.36 0.00 0.00 175.35 175.47 2va0 s VAL 120 N 0.17 0.63 -0.20 4.02 0.11 0.13 -4.98 120.40 120.29 2va0 s VAL 120 Ca -0.02 -0.46 -0.16 0.00 -2.93 0.00 0.00 61.98 58.41 2va0 s VAL 120 Cb -0.07 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 2va0 s VAL 120 CO 0.00 0.09 0.39 -1.10 -3.33 0.00 0.00 175.10 171.15 2va0 s GLN 121 N -0.41 4.18 -0.13 1.54 -0.21 -1.26 -0.09 119.66 123.27 2va0 s GLN 121 Ca 0.01 0.18 -0.06 0.00 0.02 0.00 0.00 55.36 55.52 2va0 s GLN 121 Cb -0.04 -3.53 0.06 0.00 1.00 0.00 0.00 33.01 30.50 2va0 s GLN 121 CO -0.00 -0.02 0.29 0.34 -2.12 0.00 0.00 175.29 173.78 2va0 s ASP 122 N 1.01 -0.08 -1.45 5.90 2.15 -0.30 -4.95 116.67 118.95 2va0 s ASP 122 Ca 0.19 0.64 -0.06 0.00 0.43 0.00 0.00 52.55 53.74 2va0 s ASP 122 Cb -0.15 0.64 0.04 0.00 -0.30 0.00 0.00 42.92 43.15 2va0 s ASP 122 CO 0.08 -0.20 0.68 0.54 -0.17 0.00 0.00 175.17 176.09 2va0 n ARG 123 N 4.73 -4.23 -1.12 4.34 1.74 -1.26 -0.92 116.66 119.94 2va0 n ARG 123 Ca -0.17 0.50 -0.04 0.00 -0.77 0.00 0.00 57.85 57.37 2va0 n ARG 123 Cb 0.52 -5.01 -0.02 0.00 -1.02 0.00 0.00 32.46 26.93 2va0 n ARG 123 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2va0 n ASN 124 N -2.92 -4.83 -4.39 0.55 5.15 -1.26 -4.99 115.26 102.56 2va0 n ASN 124 Ca -0.17 0.10 -0.27 0.00 -0.60 0.00 0.00 54.58 53.64 2va0 n ASN 124 Cb 0.62 -2.69 -0.12 0.00 -0.53 0.00 0.00 39.78 37.06 2va0 n ASN 124 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2va0 s ARG 125 N -1.84 1.42 -0.16 1.20 3.00 -0.10 -4.94 118.95 117.53 2va0 s ARG 125 Ca 0.00 -1.42 -0.09 0.00 0.00 0.00 0.00 55.73 54.22 2va0 s ARG 125 Cb 0.00 -1.78 -0.05 0.00 0.00 0.00 0.00 34.95 33.12 2va0 s ARG 125 CO 0.00 0.40 0.14 0.15 0.00 0.00 0.00 175.30 175.99 2va0 s LYS 126 N -2.40 3.83 -0.08 3.54 1.02 -1.26 -1.15 119.74 123.24 2va0 s LYS 126 Ca 0.17 -0.16 0.03 0.00 0.02 0.00 0.00 55.97 56.03 2va0 s LYS 126 Cb -0.09 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.90 2va0 s LYS 126 CO 0.08 0.53 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.35 2va0 s LEU 127 N -0.32 2.49 -0.02 3.17 1.02 0.87 -1.69 118.68 124.21 2va0 s LEU 127 Ca 0.12 -0.35 0.07 0.00 0.02 0.00 0.00 54.13 53.99 2va0 s LEU 127 Cb -0.12 -1.51 -0.02 0.00 0.02 0.00 0.00 46.19 44.57 2va0 s LEU 127 CO 0.01 0.25 -0.23 -0.31 0.02 0.00 0.00 176.35 176.09 2va0 s TYR 128 N -0.16 2.09 0.00 0.29 1.51 -0.16 -0.69 117.35 120.24 2va0 s TYR 128 Ca -0.02 -0.40 -0.04 0.00 -1.01 0.00 0.00 57.07 55.60 2va0 s TYR 128 Cb -0.14 -1.35 -0.00 0.00 -0.11 0.00 0.00 41.96 40.36 2va0 s TYR 128 CO 0.04 -0.04 0.07 0.20 -1.11 0.00 0.00 175.55 174.71 2va0 s GLY 129 N -0.54 0.09 -0.10 0.71 0.00 -0.03 -0.97 107.32 106.48 2va0 s GLY 129 Ca 0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 44.72 44.55 2va0 s GLY 129 CO -0.01 -0.31 0.20 -1.60 0.00 0.00 0.00 173.10 171.38 2va0 s ARG 130 N -1.14 0.10 -0.02 2.90 6.06 -0.09 -2.24 118.95 124.52 2va0 s ARG 130 Ca -0.12 0.58 -0.25 0.00 -2.50 0.00 0.00 55.73 53.44 2va0 s ARG 130 Cb -0.07 -0.16 -0.04 0.00 0.06 0.00 0.00 34.95 34.73 2va0 s ARG 130 CO 0.00 -0.25 0.76 -1.58 -2.50 0.00 0.00 175.30 171.73 2va0 s HIS 131 N 1.98 3.64 0.08 5.12 5.65 -0.32 -0.85 115.29 130.58 2va0 s HIS 131 Ca -0.01 1.38 -0.01 0.00 0.25 0.00 0.00 55.06 56.66 2va0 s HIS 131 Cb -0.12 -2.85 -0.04 0.00 -1.18 0.00 0.00 32.58 28.40 2va0 s HIS 131 CO -0.07 0.14 0.01 0.96 -0.65 0.00 0.00 174.74 175.12 2va0 s ILE 132 N 0.55 0.17 -0.16 0.89 -4.36 -0.57 -4.86 121.20 112.86 2va0 s ILE 132 Ca 0.40 -1.85 -0.02 0.00 -0.26 0.00 0.00 60.65 58.91 2va0 s ILE 132 Cb -0.19 -1.74 -0.02 0.00 1.25 0.00 0.00 42.46 41.76 2va0 s ILE 132 CO 0.21 -0.77 -0.08 -0.89 0.24 0.00 0.00 174.94 173.65 2va0 s THR 133 N -3.98 3.42 0.94 8.37 2.01 -1.26 -1.70 115.64 123.44 2va0 s THR 133 Ca 0.14 -0.52 -0.13 0.00 0.31 0.00 0.00 61.69 61.49 2va0 s THR 133 Cb 0.08 -2.48 0.16 0.00 0.01 0.00 0.00 72.50 70.26 2va0 s THR 133 CO -0.05 0.49 1.16 -0.76 -0.69 0.00 0.00 174.62 174.77 2va0 s LEU 134 N 0.61 2.00 0.38 4.42 1.43 -0.55 -4.89 118.68 122.07 2va0 s LEU 134 Ca -0.05 0.82 0.28 0.00 -1.03 0.00 0.00 54.13 54.15 2va0 s LEU 134 Cb -0.15 -3.06 1.12 0.00 0.03 0.00 0.00 46.19 44.13 2va0 s LEU 134 CO 0.03 -2.70 1.82 -0.55 0.23 0.00 0.00 176.35 175.18 2va0 h ASN 135 N -1.60 0.00 -1.12 2.29 7.08 -1.73 -0.92 115.58 119.57 2va0 h ASN 135 Ca -0.49 0.00 0.32 0.00 -3.08 0.00 0.00 56.30 53.05 2va0 h ASN 135 Cb 1.32 0.00 -0.11 0.00 -2.08 0.00 0.00 38.32 37.45 2va0 h ASN 135 CO 0.56 0.00 0.71 0.44 -2.08 0.00 0.00 177.43 177.07 2va0 h ASP 136 N 0.00 0.39 0.00 6.14 5.19 -1.92 -3.48 116.42 122.74 2va0 h ASP 136 Ca 0.00 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 2va0 h ASP 136 Cb 0.45 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.01 2va0 h ASP 136 CO 0.00 -0.01 0.00 0.61 -3.12 0.00 0.00 179.24 176.72 2va0 n GLY 137 N -1.47 1.32 3.68 2.75 0.00 -0.35 -5.05 105.19 106.07 2va0 n GLY 137 Ca 0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 2va0 n GLY 137 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2va0 s ASN 138 N -2.96 6.74 0.03 1.61 2.47 -1.26 -4.81 114.94 116.76 2va0 s ASN 138 Ca 0.00 0.89 -0.21 0.00 0.42 0.00 0.00 52.86 53.96 2va0 s ASN 138 Cb 0.00 -2.35 -0.06 0.00 -1.45 0.00 0.00 41.25 37.39 2va0 s ASN 138 CO 0.00 -0.20 0.62 -0.44 -3.72 0.00 0.00 177.10 173.36 2va0 s SER 139 N 1.03 7.05 0.06 -4.21 0.01 -1.26 -1.48 113.70 114.90 2va0 s SER 139 Ca 0.30 1.25 0.00 0.00 1.31 0.00 0.00 55.95 58.81 2va0 s SER 139 Cb -0.16 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 2va0 s SER 139 CO 0.12 0.13 -0.05 0.68 0.41 0.00 0.00 173.24 174.53 2va0 s VAL 140 N -0.41 0.38 -0.26 3.43 -7.23 -0.69 -3.57 120.40 112.05 2va0 s VAL 140 Ca 0.32 -1.62 0.03 0.00 -1.81 0.00 0.00 61.98 58.89 2va0 s VAL 140 Cb -0.19 -1.26 0.06 0.00 0.56 0.00 0.00 36.38 35.55 2va0 s VAL 140 CO 0.19 -0.81 -0.10 -0.54 -0.31 0.00 0.00 175.10 173.53 2va0 s LYS 141 N -3.23 2.13 -0.19 4.82 1.02 -0.19 -1.51 119.74 122.59 2va0 s LYS 141 Ca 0.03 -1.29 -0.25 0.00 0.02 0.00 0.00 55.97 54.49 2va0 s LYS 141 Cb 0.02 -2.84 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 2va0 s LYS 141 CO -0.06 -0.57 0.81 0.08 -0.92 0.00 0.00 175.35 174.69 2va0 s VAL 142 N 1.15 4.88 -0.07 3.17 1.01 -0.03 -0.38 120.40 130.13 2va0 s VAL 142 Ca -0.08 1.58 0.03 0.00 0.00 0.00 0.00 61.98 63.50 2va0 s VAL 142 Cb -0.20 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.08 2va0 s VAL 142 CO -0.05 0.01 -0.15 -0.69 0.00 0.00 0.00 175.10 174.22 2va0 s VAL 143 N 2.30 1.33 0.17 2.92 1.01 0.66 -0.91 120.40 127.88 2va0 s VAL 143 Ca 0.37 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 61.84 2va0 s VAL 143 Cb -0.16 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 2va0 s VAL 143 CO 0.11 0.40 -0.16 0.42 0.00 0.00 0.00 175.10 175.87 2va0 s THR 144 N 0.53 2.84 0.02 3.92 -4.23 -0.15 -0.49 115.64 118.09 2va0 s THR 144 Ca -0.14 -1.76 0.05 0.00 -1.18 0.00 0.00 61.69 58.66 2va0 s THR 144 Cb -0.16 -2.37 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 2va0 s THR 144 CO 0.05 -0.07 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.26 2va0 s ILE 145 N -1.59 1.26 0.58 2.99 1.01 -0.54 -0.99 121.20 123.92 2va0 s ILE 145 Ca 0.22 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 2va0 s ILE 145 Cb -0.09 -1.10 0.12 0.00 0.01 0.00 0.00 42.46 41.40 2va0 s ILE 145 CO 0.12 0.15 0.80 -1.54 0.00 0.00 0.00 174.94 174.47 2va0 n SER 146 N 2.13 0.71 0.00 3.58 3.41 -0.68 -4.74 113.62 118.02 2va0 n SER 146 Ca -0.17 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 2va0 n SER 146 Cb 0.54 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 2va0 n SER 146 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88