#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 0.56 -0.63 -1.46 0.11 -2.01 0.13 132.00 128.71 2va0 h PRO 50 Ca 0.00 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 2va0 h PRO 50 Cb 0.00 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 30.96 2va0 h PRO 50 CO 0.00 0.37 0.11 0.00 -0.21 0.00 0.00 178.00 178.27 2va0 h ALA 51 N 1.50 1.01 -0.43 -0.75 0.00 -1.96 -0.60 119.26 118.02 2va0 h ALA 51 Ca 0.40 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2va0 h ALA 51 Cb 0.52 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2va0 h ALA 51 CO -0.33 0.63 -0.14 -0.22 0.00 0.00 0.00 179.25 179.20 2va0 h LYS 52 N 0.96 0.85 -0.25 0.00 3.64 -1.72 -1.34 116.57 118.70 2va0 h LYS 52 Ca 0.19 -0.34 -0.10 0.00 -1.27 0.00 0.00 60.65 59.13 2va0 h LYS 52 Cb 0.41 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2va0 h LYS 52 CO 0.01 0.98 -0.27 -0.09 -2.27 0.00 0.00 179.45 177.80 2va0 h ARG 53 N 0.68 0.50 -0.35 1.90 2.43 -0.65 -1.59 114.38 117.30 2va0 h ARG 53 Ca 0.10 -0.20 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 2va0 h ARG 53 Cb 0.68 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 2va0 h ARG 53 CO 0.05 0.73 0.06 1.25 -1.51 0.00 0.00 179.97 180.55 2va0 h LEU 54 N 0.44 0.55 -0.09 3.80 5.85 -0.82 -2.07 115.31 122.96 2va0 h LEU 54 Ca 0.06 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.57 2va0 h LEU 54 Cb 0.70 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 2va0 h LEU 54 CO 0.05 0.67 -0.28 0.25 -0.34 0.00 0.00 178.44 178.79 2va0 h LEU 55 N 0.41 -0.85 -0.63 2.25 5.85 -0.98 0.16 115.31 121.52 2va0 h LEU 55 Ca 0.11 0.13 0.13 0.00 0.84 0.00 0.00 57.88 59.08 2va0 h LEU 55 Cb 0.35 0.36 -0.11 0.00 0.37 0.00 0.00 40.66 41.63 2va0 h LEU 55 CO 0.01 -0.33 -0.07 0.15 -0.34 0.00 0.00 178.44 177.85 2va0 h PHE 56 N -0.37 -0.18 -0.23 1.25 3.57 -1.26 0.20 116.94 119.92 2va0 h PHE 56 Ca 0.09 0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.53 2va0 h PHE 56 Cb 0.50 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 2va0 h PHE 56 CO -0.36 -0.22 -0.29 0.37 -2.23 0.00 0.00 178.31 175.58 2va0 h GLN 57 N 0.06 0.61 -0.65 1.11 5.75 -0.56 -1.65 115.11 119.77 2va0 h GLN 57 Ca 0.32 -0.34 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 2va0 h GLN 57 Cb 0.51 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.05 2va0 h GLN 57 CO -0.59 0.95 0.24 1.98 -2.65 0.00 0.00 178.83 178.76 2va0 h MET 58 N 0.31 0.98 -0.34 1.69 4.05 -0.20 -1.31 114.93 120.10 2va0 h MET 58 Ca 0.03 -0.19 -0.09 0.00 -0.28 0.00 0.00 59.70 59.17 2va0 h MET 58 Cb 0.86 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.50 2va0 h MET 58 CO 0.07 0.83 -0.16 0.28 0.23 0.00 0.00 176.91 178.17 2va0 h VAL 59 N 0.92 1.29 -0.31 -5.77 2.07 -0.55 -0.34 116.25 113.56 2va0 h VAL 59 Ca 0.21 -1.27 0.09 0.00 0.82 0.00 0.00 66.70 66.56 2va0 h VAL 59 Cb 0.23 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2va0 h VAL 59 CO -0.01 0.41 0.23 1.23 0.02 0.00 0.00 177.57 179.45 2va0 h GLY 60 N 0.48 0.00 0.78 2.17 0.00 -0.92 -1.68 103.07 103.90 2va0 h GLY 60 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.06 2va0 h GLY 60 CO 0.05 0.00 -1.87 -0.57 0.00 0.00 0.00 176.54 174.15 2va0 h ASN 61 N 0.00 0.42 0.49 0.19 -0.73 -0.95 -3.39 115.58 111.62 2va0 h ASN 61 Ca 0.15 -0.82 -0.16 0.00 1.87 0.00 0.00 56.30 57.34 2va0 h ASN 61 Cb 0.60 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 39.04 2va0 h ASN 61 CO -0.00 1.72 -0.70 0.00 -0.37 0.00 0.00 177.43 178.08 2va0 h ALA 62 N 0.22 0.76 -0.27 1.57 0.00 -0.63 -3.31 119.26 117.59 2va0 h ALA 62 Ca -0.37 -0.61 0.08 0.00 0.00 0.00 0.00 54.91 54.00 2va0 h ALA 62 Cb 2.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 2va0 h ALA 62 CO 0.12 0.81 0.20 0.97 0.00 0.00 0.00 179.25 181.34 2va0 h ILE 63 N 0.12 0.84 -0.61 0.00 6.09 -1.51 -0.92 117.51 121.52 2va0 h ILE 63 Ca -0.02 0.00 -0.14 0.00 -1.37 0.00 0.00 64.86 63.33 2va0 h ILE 63 Cb 1.25 0.86 -0.08 0.00 0.47 0.00 0.00 36.82 39.31 2va0 h ILE 63 CO 0.10 0.00 0.18 0.59 -3.07 0.00 0.00 178.15 175.95 2va0 n ASN 64 N -4.42 4.63 -4.17 2.19 3.02 -1.25 -4.29 115.26 110.98 2va0 n ASN 64 Ca 0.04 -2.98 -0.16 0.00 -0.03 0.00 0.00 54.58 51.44 2va0 n ASN 64 Cb 0.36 -0.70 -0.11 0.00 -0.61 0.00 0.00 39.78 38.71 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 -2.61 0.81 0.64 3.52 0.52 -0.35 -4.94 118.95 116.53 2va0 s ARG 65 Ca 0.47 -1.02 0.03 0.00 -0.52 0.00 0.00 55.73 54.69 2va0 s ARG 65 Cb 0.37 -0.67 0.09 0.00 0.52 0.00 0.00 34.95 35.27 2va0 s ARG 65 CO 0.12 0.13 0.88 0.54 0.02 0.00 0.00 175.30 177.00 2va0 s ASN 66 N -2.01 4.77 0.13 0.23 2.20 -1.26 -3.43 114.94 115.57 2va0 s ASN 66 Ca 0.00 -0.43 -0.19 0.00 -0.94 0.00 0.00 52.86 51.31 2va0 s ASN 66 Cb -0.07 -0.12 -0.02 0.00 -2.00 0.00 0.00 41.25 39.04 2va0 s ASN 66 CO 0.01 -1.55 1.76 0.74 -2.94 0.00 0.00 177.10 175.13 2va0 h THR 67 N -0.18 0.98 0.10 0.54 2.02 -1.97 0.11 112.91 114.51 2va0 h THR 67 Ca -0.36 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 2va0 h THR 67 Cb 1.28 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2va0 h THR 67 CO 0.43 0.05 -0.06 1.56 0.37 0.00 0.00 175.52 177.87 2va0 h GLN 68 N 0.25 -0.14 -0.65 6.66 7.50 -1.99 -0.60 115.11 126.14 2va0 h GLN 68 Ca 0.10 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.26 2va0 h GLN 68 Cb 0.04 0.03 -0.03 0.00 0.05 0.00 0.00 27.48 27.57 2va0 h GLN 68 CO -0.08 -0.09 0.38 1.96 -1.50 0.00 0.00 178.83 179.50 2va0 h GLN 69 N -0.15 0.89 -0.55 1.46 4.20 -1.85 -1.20 115.11 117.91 2va0 h GLN 69 Ca -0.01 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 2va0 h GLN 69 Cb 0.12 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2va0 h GLN 69 CO 0.01 0.65 0.04 1.25 -0.67 0.00 0.00 178.83 180.12 2va0 h LEU 70 N 0.89 0.88 -0.21 1.46 5.85 -0.52 -0.12 115.31 123.55 2va0 h LEU 70 Ca 0.23 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2va0 h LEU 70 Cb 0.00 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 2va0 h LEU 70 CO -0.04 0.92 0.11 0.74 -0.34 0.00 0.00 178.44 179.83 2va0 h THR 71 N 0.86 1.11 -0.27 1.05 2.02 -0.34 -1.18 112.91 116.16 2va0 h THR 71 Ca 0.17 -0.28 -0.13 0.00 0.77 0.00 0.00 66.41 66.94 2va0 h THR 71 Cb 0.45 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2va0 h THR 71 CO 0.02 0.10 -0.37 0.06 0.37 0.00 0.00 175.52 175.70 2va0 h GLN 72 N 0.23 0.60 -0.82 6.66 3.07 -0.96 -0.50 115.11 123.39 2va0 h GLN 72 Ca 0.07 -0.29 -0.04 0.00 0.09 0.00 0.00 58.65 58.48 2va0 h GLN 72 Cb 0.06 -0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.58 2va0 h GLN 72 CO -0.01 0.88 0.37 -0.44 0.09 0.00 0.00 178.83 179.72 2va0 h ASP 73 N 0.50 1.09 -0.76 0.06 3.45 -0.86 -0.25 116.42 119.65 2va0 h ASP 73 Ca 0.05 -0.15 -0.05 0.00 0.43 0.00 0.00 57.03 57.31 2va0 h ASP 73 Cb 0.87 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 39.33 2va0 h ASP 73 CO 0.08 0.94 0.29 0.25 -1.57 0.00 0.00 179.24 179.22 2va0 h LEU 74 N 1.17 1.06 -1.02 1.55 5.85 -0.83 -2.34 115.31 120.75 2va0 h LEU 74 Ca 0.28 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 2va0 h LEU 74 Cb 0.15 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2va0 h LEU 74 CO -0.03 0.95 -0.41 -0.09 -0.34 0.00 0.00 178.44 178.52 2va0 h ARG 75 N 1.11 0.15 0.00 1.25 2.43 -0.58 -2.85 114.38 115.89 2va0 h ARG 75 Ca 0.25 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2va0 h ARG 75 Cb 0.23 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2va0 h ARG 75 CO -0.02 0.54 0.00 0.00 -1.51 0.00 0.00 179.97 178.98 2va0 n ALA 76 N -2.47 2.09 -1.63 2.80 0.00 -0.15 -4.81 120.51 116.33 2va0 n ALA 76 Ca -0.02 -0.09 -0.33 0.00 0.00 0.00 0.00 53.44 53.00 2va0 n ALA 76 Cb 0.47 -1.36 0.02 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.78 3.18 0.42 0.00 -1.94 -1.08 -5.01 119.30 112.09 2va0 s MET 77 Ca 0.16 1.30 -0.24 0.00 -1.71 0.00 0.00 55.69 55.21 2va0 s MET 77 Cb 0.15 -2.01 -0.08 0.00 2.01 0.00 0.00 34.83 34.90 2va0 s MET 77 CO 0.37 -0.94 1.09 -1.25 -0.01 0.00 0.00 175.02 174.29 2va0 s PRO 78 N -3.98 4.03 0.23 2.03 0.04 -1.26 -4.86 135.00 131.23 2va0 s PRO 78 Ca 0.65 1.60 -0.06 0.00 0.04 0.00 0.00 61.00 63.24 2va0 s PRO 78 Cb -0.18 -2.50 0.38 0.00 0.04 0.00 0.00 34.50 32.24 2va0 s PRO 78 CO 0.37 -0.27 1.76 -0.91 0.04 0.00 0.00 177.00 177.98 2va0 h ASN 79 N 2.35 0.39 -0.98 6.66 4.21 -1.95 -0.45 115.58 125.82 2va0 h ASN 79 Ca -0.49 0.08 0.12 0.00 1.21 0.00 0.00 56.30 57.22 2va0 h ASN 79 Cb 1.23 0.02 -0.08 0.00 -1.12 0.00 0.00 38.32 38.36 2va0 h ASN 79 CO 0.62 0.20 0.62 4.11 -1.29 0.00 0.00 177.43 181.69 2va0 h TRP 80 N 0.54 1.09 0.00 1.19 5.08 -2.02 -2.51 115.95 119.32 2va0 h TRP 80 Ca 0.37 0.03 -0.17 0.00 1.08 0.00 0.00 58.89 60.20 2va0 h TRP 80 Cb 0.46 -0.35 -0.03 0.00 -3.00 0.00 0.00 29.16 26.25 2va0 h TRP 80 CO -0.13 0.43 -0.89 0.66 -1.28 0.00 0.00 178.44 177.23 2va0 h SER 81 N 0.95 0.00 0.37 0.11 4.64 -1.48 -3.18 113.55 114.96 2va0 h SER 81 Ca 0.49 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.76 2va0 h SER 81 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 2va0 h SER 81 CO -0.25 0.78 -0.21 -0.07 -0.87 0.00 0.00 176.83 176.21 2va0 h LEU 82 N 0.00 0.00 -0.99 5.97 3.38 -0.94 -2.37 115.31 120.36 2va0 h LEU 82 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2va0 h LEU 82 Cb 1.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.38 2va0 h LEU 82 CO 0.10 0.21 0.04 -1.14 0.09 0.00 0.00 178.44 177.74 2va0 n ARG 83 N -3.90 0.10 0.00 1.13 0.63 -1.14 -2.22 116.66 111.26 2va0 n ARG 83 Ca -0.02 0.59 0.04 0.00 -0.92 0.00 0.00 57.85 57.53 2va0 n ARG 83 Cb 0.30 -1.86 0.02 0.00 0.45 0.00 0.00 32.46 31.38 2va0 n ARG 83 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2va0 n PHE 84 N -2.02 0.00 -4.22 -0.14 0.99 -0.89 -4.91 117.46 106.27 2va0 n PHE 84 Ca -0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.26 2va0 n PHE 84 Cb 0.06 0.00 -0.15 0.00 -1.00 0.00 0.00 39.48 38.39 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 -0.71 0.52 0.04 -4.37 1.01 -0.94 -0.98 120.40 114.98 2va0 s VAL 85 Ca 0.08 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.88 2va0 s VAL 85 Cb 0.06 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 2va0 s VAL 85 CO 0.11 0.17 -0.15 -0.31 0.00 0.00 0.00 175.10 174.92 2va0 s TYR 86 N 0.17 1.34 -0.23 5.22 1.51 0.16 -4.88 117.35 120.65 2va0 s TYR 86 Ca -0.02 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.70 2va0 s TYR 86 Cb -0.06 -0.79 0.05 0.00 -0.11 0.00 0.00 41.96 41.05 2va0 s TYR 86 CO -0.00 0.05 -0.09 0.42 -1.11 0.00 0.00 175.55 174.82 2va0 s ILE 87 N -0.86 1.80 -0.22 2.71 1.01 -1.26 -0.12 121.20 124.27 2va0 s ILE 87 Ca 0.03 -1.30 -0.07 0.00 0.00 0.00 0.00 60.65 59.31 2va0 s ILE 87 Cb -0.08 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 2va0 s ILE 87 CO 0.01 0.02 0.06 -0.69 0.00 0.00 0.00 174.94 174.35 2va0 s VAL 88 N 1.29 4.47 0.34 2.92 1.01 0.41 -1.50 120.40 129.33 2va0 s VAL 88 Ca -0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 2va0 s VAL 88 Cb -0.18 -3.05 0.07 0.00 0.00 0.00 0.00 36.38 33.22 2va0 s VAL 88 CO -0.07 0.39 0.46 -0.90 0.00 0.00 0.00 175.10 174.99 2va0 n ASP 89 N 4.29 0.26 0.00 3.32 5.68 0.46 -0.67 116.55 129.89 2va0 n ASP 89 Ca -0.16 -1.31 0.08 0.00 -0.50 0.00 0.00 54.79 52.90 2va0 n ASP 89 Cb 0.52 -0.33 0.38 0.00 -1.14 0.00 0.00 41.12 40.54 2va0 n ASP 89 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2va0 n ARG 90 N -1.92 0.04 -0.75 0.11 5.12 -1.25 -1.53 116.66 116.47 2va0 n ARG 90 Ca 0.06 0.19 0.08 0.00 -1.93 0.00 0.00 57.85 56.26 2va0 n ARG 90 Cb 0.23 -1.50 0.38 0.00 -1.16 0.00 0.00 32.46 30.41 2va0 n ARG 90 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2va0 n ASN 91 N -1.47 5.21 -3.11 0.55 3.02 -1.26 -4.93 115.26 113.27 2va0 n ASN 91 Ca 0.05 -2.68 -0.23 0.00 -0.03 0.00 0.00 54.58 51.69 2va0 n ASN 91 Cb 0.19 -0.63 0.02 0.00 -0.61 0.00 0.00 39.78 38.75 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 0.88 -5.41 -4.46 6.41 3.02 -0.59 -5.00 115.26 110.13 2va0 n ASN 92 Ca 0.27 -0.31 -0.33 0.00 -0.03 0.00 0.00 54.58 54.17 2va0 n ASN 92 Cb 1.04 -4.39 -0.13 0.00 -0.61 0.00 0.00 39.78 35.68 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 -5.79 3.07 0.47 3.52 -0.21 -1.26 -4.87 119.66 114.60 2va0 s GLN 93 Ca 0.33 -0.64 -0.24 0.00 0.02 0.00 0.00 55.36 54.83 2va0 s GLN 93 Cb -0.16 -2.59 -0.07 0.00 1.00 0.00 0.00 33.01 31.19 2va0 s GLN 93 CO 0.41 0.41 1.28 0.34 -2.12 0.00 0.00 175.29 175.61 2va0 s ASP 94 N -0.15 5.92 0.60 5.90 2.15 -1.26 -0.41 116.67 129.43 2va0 s ASP 94 Ca 0.00 2.58 0.37 0.00 0.43 0.00 0.00 52.55 55.93 2va0 s ASP 94 Cb -0.13 -2.63 1.93 0.00 -0.30 0.00 0.00 42.92 41.79 2va0 s ASP 94 CO 0.03 -1.11 2.22 -0.07 -0.17 0.00 0.00 175.17 176.07 2va0 h LEU 95 N 2.08 0.00 -3.37 -1.34 3.38 -1.65 0.21 115.31 114.62 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 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2va0 h LEU 95 CO 0.60 0.03 0.00 0.18 0.09 0.00 0.00 178.44 179.34 2va0 n LEU 96 N -3.32 4.93 -2.11 1.67 4.77 -1.26 -4.95 117.00 116.73 2va0 n LEU 96 Ca -0.02 -2.82 -0.21 0.00 -0.03 0.00 0.00 56.01 52.93 2va0 n LEU 96 Cb 0.16 -0.61 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 2va0 n LEU 96 CO 0.25 0.68 -0.24 0.29 -1.33 0.00 0.00 177.39 177.04 2va0 n LYS 97 N 0.41 -1.60 -2.81 3.23 4.76 0.74 -4.97 118.16 117.92 2va0 n LYS 97 Ca 0.25 1.10 -0.36 0.00 -2.87 0.00 0.00 58.31 56.43 2va0 n LYS 97 Cb 1.02 -5.67 -0.07 0.00 -1.84 0.00 0.00 35.03 28.48 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 -4.59 4.47 0.36 1.97 0.52 -1.26 -4.93 118.95 115.50 2va0 s ARG 98 Ca 0.00 1.24 -0.28 0.00 -0.52 0.00 0.00 55.73 56.17 2va0 s ARG 98 Cb 0.00 -2.66 -0.10 0.00 0.52 0.00 0.00 34.95 32.71 2va0 s ARG 98 CO 0.00 0.21 1.35 -1.25 0.02 0.00 0.00 175.30 175.64 2va0 s PRO 99 N -2.32 4.21 -0.22 3.54 0.04 -1.26 -4.42 135.00 134.57 2va0 s PRO 99 Ca 0.52 2.30 -0.22 0.00 0.04 0.00 0.00 61.00 63.65 2va0 s PRO 99 Cb -0.16 -2.98 -0.02 0.00 0.04 0.00 0.00 34.50 31.38 2va0 s PRO 99 CO 0.21 -0.34 0.70 -0.51 0.04 0.00 0.00 177.00 177.10 2va0 s LEU 100 N -2.00 4.11 0.77 -3.56 1.43 -1.26 -5.02 118.68 113.15 2va0 s LEU 100 Ca 0.51 0.89 -0.14 0.00 -1.03 0.00 0.00 54.13 54.36 2va0 s LEU 100 Cb -0.41 -2.99 0.06 0.00 0.03 0.00 0.00 46.19 42.88 2va0 s LEU 100 CO 0.55 -0.37 1.23 -2.65 0.23 0.00 0.00 176.35 175.34 2va0 n PRO 101 N 5.47 0.40 -2.11 1.29 -0.02 -1.26 -4.87 135.00 133.90 2va0 n PRO 101 Ca 0.01 0.21 -0.39 0.00 -2.02 0.00 0.00 63.50 61.31 2va0 n PRO 101 Cb 0.49 -2.46 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 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 -3.95 3.99 0.00 0.52 0.04 -1.26 -2.33 135.00 132.01 2va0 s PRO 102 Ca 0.76 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.88 2va0 s PRO 102 Cb -0.31 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.49 2va0 s PRO 102 CO 0.48 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.48 2va0 n GLY 103 N 0.67 3.14 0.33 0.56 0.00 -1.26 -4.86 105.19 103.77 2va0 n GLY 103 Ca 0.04 -1.03 0.02 0.00 0.00 0.00 0.00 46.02 45.05 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 1.02 0.00 -0.61 1.08 -1.81 -1.70 117.51 115.50 2va0 h ILE 104 Ca 0.00 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 2va0 h ILE 104 Cb 0.00 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 33.71 2va0 h ILE 104 CO 0.00 0.18 0.00 0.23 -0.69 0.00 0.00 178.15 177.87 2va0 n MET 105 N -4.62 0.24 0.05 2.37 2.81 -1.26 -0.32 117.12 116.38 2va0 n MET 105 Ca 0.13 0.05 -0.20 0.00 -1.81 0.00 0.00 57.70 55.87 2va0 n MET 105 Cb 0.20 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.09 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 1.35 0.20 2.03 2.07 -1.69 -3.39 116.25 116.81 2va0 h VAL 106 Ca 0.00 -2.29 -0.32 0.00 0.82 0.00 0.00 66.70 64.90 2va0 h VAL 106 Cb 0.31 2.63 0.02 0.00 -1.52 0.00 0.00 31.29 32.73 2va0 h VAL 106 CO 0.00 0.69 -1.52 0.25 0.02 0.00 0.00 177.57 177.01 2va0 h LEU 107 N 0.13 0.67 -0.13 2.57 5.85 -1.05 -3.40 115.31 119.95 2va0 h LEU 107 Ca -0.14 -0.92 0.05 0.00 0.84 0.00 0.00 57.88 57.71 2va0 h LEU 107 Cb 1.65 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.41 2va0 h LEU 107 CO 0.19 1.71 -0.21 0.00 -0.34 0.00 0.00 178.44 179.78 2va0 h ALA 108 N 0.10 -0.17 -0.09 1.25 0.00 -0.87 -1.82 119.26 117.67 2va0 h ALA 108 Ca -0.29 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.69 2va0 h ALA 108 Cb 2.04 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 20.24 2va0 h ALA 108 CO 0.20 -0.67 0.19 -1.35 0.00 0.00 0.00 179.25 177.63 2va0 h PRO 109 N -0.27 0.00 0.00 0.00 0.11 -1.77 -1.68 132.00 128.39 2va0 h PRO 109 Ca 0.10 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.11 2va0 h PRO 109 Cb 0.41 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 2va0 h PRO 109 CO -0.29 0.00 -0.48 0.00 -0.21 0.00 0.00 178.00 177.03 2va0 h ARG 110 N 0.00 0.00 -6.04 1.05 3.08 -1.56 -3.44 114.38 107.47 2va0 h ARG 110 Ca 0.04 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.51 2va0 h ARG 110 Cb 0.43 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.41 2va0 h ARG 110 CO -0.00 0.48 0.68 -0.51 -1.07 0.00 0.00 179.97 179.55 2va0 s LEU 111 N -6.55 4.05 0.07 3.04 1.43 -0.63 -4.80 118.68 115.29 2va0 s LEU 111 Ca 0.03 1.10 -0.08 0.00 -1.03 0.00 0.00 54.13 54.15 2va0 s LEU 111 Cb 0.08 -3.39 -0.00 0.00 0.03 0.00 0.00 46.19 42.91 2va0 s LEU 111 CO 0.73 -0.69 0.18 -0.89 0.23 0.00 0.00 176.35 175.91 2va0 s THR 112 N 3.22 0.14 0.23 5.49 2.01 -0.38 -4.84 115.64 121.50 2va0 s THR 112 Ca 0.41 -1.13 -0.08 0.00 0.31 0.00 0.00 61.69 61.20 2va0 s THR 112 Cb -0.14 -1.22 0.19 0.00 0.01 0.00 0.00 72.50 71.34 2va0 s THR 112 CO 0.10 -0.62 1.87 0.00 -0.69 0.00 0.00 174.62 175.28 2va0 h ALA 113 N 2.98 1.09 0.00 7.40 0.00 -1.94 -0.44 119.26 128.35 2va0 h ALA 113 Ca -0.33 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 2va0 h ALA 113 Cb 1.19 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2va0 h ALA 113 CO 0.54 0.37 -0.52 0.87 0.00 0.00 0.00 179.25 180.51 2va0 h LYS 114 N 1.04 0.00 -2.38 0.00 1.57 -1.97 -3.38 116.57 111.44 2va0 h LYS 114 Ca 0.33 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.52 2va0 h LYS 114 Cb -0.00 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 31.92 2va0 h LYS 114 CO -0.11 0.52 -0.92 0.72 -0.57 0.00 0.00 179.45 179.09 2va0 n HIS 115 N -3.38 0.08 0.52 -1.35 8.25 -0.85 -5.00 115.22 113.48 2va0 n HIS 115 Ca 0.01 -3.56 0.13 0.00 -0.26 0.00 0.00 57.72 54.04 2va0 n HIS 115 Cb 0.67 -0.05 0.41 0.00 1.12 0.00 0.00 29.99 32.14 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 5.16 0.00 -6.62 -0.41 0.13 -1.29 -0.99 132.00 127.97 2va0 h PRO 116 Ca 0.20 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.64 2va0 h PRO 116 Cb 0.86 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.70 2va0 h PRO 116 CO 0.47 0.00 -0.88 -0.47 -0.23 0.00 0.00 178.00 176.89 2va0 s TYR 117 N -3.19 2.35 0.18 1.56 5.04 -1.26 -1.06 117.35 120.97 2va0 s TYR 117 Ca 0.08 -0.42 -0.23 0.00 -2.44 0.00 0.00 57.07 54.07 2va0 s TYR 117 Cb 0.11 -1.49 0.06 0.00 0.35 0.00 0.00 41.96 40.99 2va0 s TYR 117 CO 0.56 0.00 0.62 0.34 -1.34 0.00 0.00 175.55 175.73 2va0 s ASP 118 N -0.73 -0.51 -0.02 4.32 2.15 -1.08 -4.99 116.67 115.81 2va0 s ASP 118 Ca 0.10 -0.11 0.03 0.00 0.43 0.00 0.00 52.55 53.00 2va0 s ASP 118 Cb -0.10 0.62 -0.00 0.00 -0.30 0.00 0.00 42.92 43.14 2va0 s ASP 118 CO -0.00 -1.04 -0.09 -0.75 -0.17 0.00 0.00 175.17 173.12 2va0 s LYS 119 N -3.78 0.88 0.00 4.34 2.20 -1.26 -1.26 119.74 120.86 2va0 s LYS 119 Ca 0.03 -0.32 0.02 0.00 -0.36 0.00 0.00 55.97 55.33 2va0 s LYS 119 Cb -0.02 -0.83 -0.01 0.00 -1.51 0.00 0.00 37.83 35.46 2va0 s LYS 119 CO -0.09 0.16 -0.05 0.54 -0.36 0.00 0.00 175.35 175.54 2va0 s VAL 120 N 0.00 0.42 -0.22 4.02 0.11 0.10 -4.98 120.40 119.85 2va0 s VAL 120 Ca 0.00 -0.36 -0.19 0.00 -2.93 0.00 0.00 61.98 58.50 2va0 s VAL 120 Cb -0.06 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 2va0 s VAL 120 CO 0.00 0.03 0.55 -1.10 -3.33 0.00 0.00 175.10 171.25 2va0 s GLN 121 N -0.36 4.15 -0.11 1.54 -1.52 -1.26 -0.24 119.66 121.86 2va0 s GLN 121 Ca -0.00 0.43 -0.05 0.00 -1.95 0.00 0.00 55.36 53.79 2va0 s GLN 121 Cb -0.03 -3.60 0.05 0.00 -0.22 0.00 0.00 33.01 29.21 2va0 s GLN 121 CO -0.00 -0.25 0.25 0.34 -0.25 0.00 0.00 175.29 175.37 2va0 s ASP 122 N 1.31 0.01 -1.36 5.90 2.15 0.05 -4.92 116.67 119.80 2va0 s ASP 122 Ca 0.24 0.54 -0.01 0.00 0.43 0.00 0.00 52.55 53.75 2va0 s ASP 122 Cb -0.16 0.51 0.01 0.00 -0.30 0.00 0.00 42.92 42.98 2va0 s ASP 122 CO 0.09 -0.20 0.61 0.54 -0.17 0.00 0.00 175.17 176.05 2va0 n ARG 123 N 4.69 -4.35 -4.17 4.34 1.74 -1.26 -0.39 116.66 117.27 2va0 n ARG 123 Ca -0.17 0.54 -0.30 0.00 -0.77 0.00 0.00 57.85 57.14 2va0 n ARG 123 Cb 0.52 -4.96 -0.05 0.00 -1.02 0.00 0.00 32.46 26.94 2va0 n ARG 123 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2va0 n ASN 124 N -3.02 -0.47 -3.93 0.55 4.13 -1.26 -4.99 115.26 106.27 2va0 n ASN 124 Ca -0.28 -1.12 -0.10 0.00 1.68 0.00 0.00 54.58 54.76 2va0 n ASN 124 Cb 0.67 -2.40 -0.11 0.00 -1.54 0.00 0.00 39.78 36.39 2va0 n ASN 124 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2va0 s ARG 125 N -6.95 0.28 -0.16 3.52 0.52 0.48 -5.07 118.95 111.56 2va0 s ARG 125 Ca 0.18 -0.41 -0.14 0.00 -0.52 0.00 0.00 55.73 54.84 2va0 s ARG 125 Cb -0.10 0.11 -0.05 0.00 0.52 0.00 0.00 34.95 35.43 2va0 s ARG 125 CO 0.94 -0.05 0.30 0.15 0.02 0.00 0.00 175.30 176.66 2va0 s LYS 126 N -1.09 4.26 -0.10 3.54 1.02 -1.26 -0.77 119.74 125.33 2va0 s LYS 126 Ca -0.12 0.11 -0.01 0.00 0.02 0.00 0.00 55.97 55.97 2va0 s LYS 126 Cb -0.07 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 2va0 s LYS 126 CO -0.00 0.21 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.07 2va0 s LEU 127 N 0.54 3.16 -0.02 3.17 1.02 0.67 -1.58 118.68 125.64 2va0 s LEU 127 Ca 0.17 -0.08 0.06 0.00 0.02 0.00 0.00 54.13 54.30 2va0 s LEU 127 Cb -0.13 -1.71 -0.01 0.00 0.02 0.00 0.00 46.19 44.35 2va0 s LEU 127 CO 0.04 0.29 -0.21 -0.31 0.02 0.00 0.00 176.35 176.18 2va0 s TYR 128 N -0.36 1.93 0.02 0.29 1.51 -0.32 -0.72 117.35 119.71 2va0 s TYR 128 Ca 0.05 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 2va0 s TYR 128 Cb -0.12 -1.25 -0.02 0.00 -0.11 0.00 0.00 41.96 40.45 2va0 s TYR 128 CO 0.02 -0.07 -0.04 0.20 -1.11 0.00 0.00 175.55 174.55 2va0 s GLY 129 N -0.38 0.28 -0.17 0.71 0.00 -0.39 -0.89 107.32 106.48 2va0 s GLY 129 Ca 0.05 -0.59 -0.07 0.00 0.00 0.00 0.00 44.72 44.12 2va0 s GLY 129 CO 0.00 -0.65 0.36 -1.60 0.00 0.00 0.00 173.10 171.21 2va0 s ARG 130 N -1.38 0.27 0.02 2.90 6.06 -0.37 -2.63 118.95 123.82 2va0 s ARG 130 Ca -0.13 0.88 -0.23 0.00 -2.50 0.00 0.00 55.73 53.74 2va0 s ARG 130 Cb -0.09 0.13 -0.05 0.00 0.06 0.00 0.00 34.95 35.00 2va0 s ARG 130 CO -0.01 -0.24 0.70 -1.58 -2.50 0.00 0.00 175.30 171.67 2va0 s HIS 131 N 2.26 3.70 0.14 5.12 5.65 -0.22 -1.08 115.29 130.86 2va0 s HIS 131 Ca -0.03 1.35 -0.04 0.00 0.25 0.00 0.00 55.06 56.60 2va0 s HIS 131 Cb -0.11 -2.74 -0.03 0.00 -1.18 0.00 0.00 32.58 28.52 2va0 s HIS 131 CO -0.11 0.28 0.13 0.96 -0.65 0.00 0.00 174.74 175.35 2va0 s ILE 132 N -0.02 0.10 -0.11 0.89 -4.36 -0.73 -4.85 121.20 112.11 2va0 s ILE 132 Ca 0.36 -1.72 0.01 0.00 -0.26 0.00 0.00 60.65 59.04 2va0 s ILE 132 Cb -0.19 -1.94 -0.01 0.00 1.25 0.00 0.00 42.46 41.56 2va0 s ILE 132 CO 0.20 -0.43 -0.16 -0.89 0.24 0.00 0.00 174.94 173.90 2va0 s THR 133 N -4.01 2.83 0.85 8.37 2.01 -1.26 -1.35 115.64 123.08 2va0 s THR 133 Ca 0.21 -0.75 -0.12 0.00 0.31 0.00 0.00 61.69 61.33 2va0 s THR 133 Cb 0.06 -2.16 0.12 0.00 0.01 0.00 0.00 72.50 70.54 2va0 s THR 133 CO 0.00 0.54 1.21 -0.76 -0.69 0.00 0.00 174.62 174.92 2va0 s LEU 134 N 0.20 2.63 0.30 4.42 1.43 -0.64 -4.90 118.68 122.13 2va0 s LEU 134 Ca -0.09 0.51 0.25 0.00 -1.03 0.00 0.00 54.13 53.77 2va0 s LEU 134 Cb -0.16 -2.85 1.05 0.00 0.03 0.00 0.00 46.19 44.26 2va0 s LEU 134 CO 0.06 -2.18 1.75 -0.55 0.23 0.00 0.00 176.35 175.66 2va0 h ASN 135 N -1.20 0.00 -0.91 2.29 7.08 -1.74 -1.01 115.58 120.09 2va0 h ASN 135 Ca -0.45 0.00 0.22 0.00 -3.08 0.00 0.00 56.30 52.99 2va0 h ASN 135 Cb 1.29 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 37.47 2va0 h ASN 135 CO 0.54 0.00 0.61 0.44 -2.08 0.00 0.00 177.43 176.94 2va0 h ASP 136 N 0.00 0.34 0.00 6.14 3.32 -1.92 -3.48 116.42 120.83 2va0 h ASP 136 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2va0 h ASP 136 Cb 0.38 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2va0 h ASP 136 CO 0.00 0.13 0.00 0.61 -1.72 0.00 0.00 179.24 178.26 2va0 n GLY 137 N -1.54 1.00 3.76 2.75 0.00 -0.38 -5.06 105.19 105.71 2va0 n GLY 137 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 2va0 n GLY 137 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2va0 s ASN 138 N -3.01 6.51 0.08 1.61 0.01 -1.26 -4.84 114.94 114.04 2va0 s ASN 138 Ca 0.00 0.60 -0.17 0.00 -0.71 0.00 0.00 52.86 52.58 2va0 s ASN 138 Cb 0.00 -2.19 -0.07 0.00 0.41 0.00 0.00 41.25 39.41 2va0 s ASN 138 CO 0.00 0.16 0.53 -0.44 -1.51 0.00 0.00 177.10 175.84 2va0 s SER 139 N 0.07 6.95 0.05 -1.22 0.01 -1.26 -1.61 113.70 116.69 2va0 s SER 139 Ca 0.18 1.16 -0.02 0.00 1.31 0.00 0.00 55.95 58.58 2va0 s SER 139 Cb -0.14 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 2va0 s SER 139 CO 0.06 0.24 -0.01 0.68 0.41 0.00 0.00 173.24 174.62 2va0 s VAL 140 N -1.19 0.21 -0.25 3.43 -7.23 -0.46 -3.75 120.40 111.16 2va0 s VAL 140 Ca 0.30 -1.72 0.03 0.00 -1.81 0.00 0.00 61.98 58.78 2va0 s VAL 140 Cb -0.18 -1.46 0.05 0.00 0.56 0.00 0.00 36.38 35.36 2va0 s VAL 140 CO 0.18 -0.95 -0.12 -0.54 -0.31 0.00 0.00 175.10 173.36 2va0 s LYS 141 N -3.83 2.33 -0.24 4.82 1.02 0.15 -1.77 119.74 122.23 2va0 s LYS 141 Ca 0.06 -1.27 -0.24 0.00 0.02 0.00 0.00 55.97 54.54 2va0 s LYS 141 Cb 0.07 -2.84 -0.01 0.00 -0.52 0.00 0.00 37.83 34.53 2va0 s LYS 141 CO -0.10 -0.52 0.81 0.08 -0.92 0.00 0.00 175.35 174.70 2va0 s VAL 142 N 1.13 4.86 -0.08 3.17 1.01 -0.24 -0.45 120.40 129.80 2va0 s VAL 142 Ca -0.07 1.53 0.02 0.00 0.00 0.00 0.00 61.98 63.46 2va0 s VAL 142 Cb -0.19 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.10 2va0 s VAL 142 CO -0.06 -0.05 -0.15 -0.69 0.00 0.00 0.00 175.10 174.15 2va0 s VAL 143 N 2.73 1.41 0.15 2.92 1.01 0.83 -1.24 120.40 128.21 2va0 s VAL 143 Ca 0.34 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.77 2va0 s VAL 143 Cb -0.15 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2va0 s VAL 143 CO 0.08 0.42 -0.05 0.42 0.00 0.00 0.00 175.10 175.96 2va0 s THR 144 N 0.70 3.51 -0.00 3.92 -4.23 -0.07 -0.66 115.64 118.81 2va0 s THR 144 Ca -0.13 -1.40 0.05 0.00 -1.18 0.00 0.00 61.69 59.03 2va0 s THR 144 Cb -0.16 -2.71 -0.01 0.00 1.34 0.00 0.00 72.50 70.95 2va0 s THR 144 CO 0.03 -0.02 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.31 2va0 s ILE 145 N -1.53 1.19 -2.00 2.99 1.01 -0.15 -1.17 121.20 121.53 2va0 s ILE 145 Ca 0.25 -0.71 0.30 0.00 0.00 0.00 0.00 60.65 60.49 2va0 s ILE 145 Cb -0.10 -1.00 0.85 0.00 0.01 0.00 0.00 42.46 42.21 2va0 s ILE 145 CO 0.16 0.28 2.11 -1.54 0.00 0.00 0.00 174.94 175.96