#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 0.89 -0.81 -1.46 0.11 -2.01 -2.00 132.00 126.72 2va0 h PRO 50 Ca 0.00 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 2va0 h PRO 50 Cb 0.00 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 30.87 2va0 h PRO 50 CO 0.00 0.59 0.39 0.00 -0.21 0.00 0.00 178.00 178.77 2va0 h ALA 51 N 1.57 1.16 -0.39 -0.75 0.00 -1.97 -0.69 119.26 118.19 2va0 h ALA 51 Ca 0.52 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 2va0 h ALA 51 Cb 0.61 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2va0 h ALA 51 CO -0.30 0.64 -0.32 -0.22 0.00 0.00 0.00 179.25 179.04 2va0 h LYS 52 N 1.15 0.89 0.00 0.00 3.64 -1.91 -1.39 116.57 118.95 2va0 h LYS 52 Ca 0.28 -0.43 -0.08 0.00 -1.27 0.00 0.00 60.65 59.15 2va0 h LYS 52 Cb 0.11 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2va0 h LYS 52 CO -0.04 1.08 -0.39 0.00 -2.27 0.00 0.00 179.45 177.83 2va0 h ARG 53 N 0.74 0.00 -0.12 1.90 3.08 -1.12 -1.38 114.38 117.49 2va0 h ARG 53 Ca 0.08 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 2va0 h ARG 53 Cb 0.89 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 2va0 h ARG 53 CO 0.08 0.39 -0.15 1.25 -1.07 0.00 0.00 179.97 180.47 2va0 h LEU 54 N 0.00 0.33 -0.22 3.04 5.85 -0.87 -2.39 115.31 121.06 2va0 h LEU 54 Ca -0.00 -0.51 0.06 0.00 0.84 0.00 0.00 57.88 58.27 2va0 h LEU 54 Cb 0.84 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 2va0 h LEU 54 CO 0.05 0.78 -0.22 0.25 -0.34 0.00 0.00 178.44 178.96 2va0 h LEU 55 N -0.10 -0.69 -0.52 2.25 5.85 -1.00 0.18 115.31 121.28 2va0 h LEU 55 Ca 0.01 0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.97 2va0 h LEU 55 Cb 0.70 0.33 -0.11 0.00 0.37 0.00 0.00 40.66 41.95 2va0 h LEU 55 CO 0.04 -0.26 -0.22 0.15 -0.34 0.00 0.00 178.44 177.80 2va0 h PHE 56 N -0.23 -0.57 -0.04 1.25 3.57 -1.27 0.47 116.94 120.13 2va0 h PHE 56 Ca 0.13 0.06 -0.22 0.00 3.53 0.00 0.00 57.97 61.47 2va0 h PHE 56 Cb 0.43 0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.50 2va0 h PHE 56 CO -0.36 -0.31 -0.88 0.37 -2.23 0.00 0.00 178.31 174.90 2va0 h GLN 57 N -0.10 0.47 -0.43 1.11 5.75 -0.87 -0.95 115.11 120.09 2va0 h GLN 57 Ca 0.24 -0.46 -0.04 0.00 -0.15 0.00 0.00 58.65 58.24 2va0 h GLN 57 Cb 0.48 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 2va0 h GLN 57 CO -0.59 1.10 0.10 1.98 -2.65 0.00 0.00 178.83 178.77 2va0 h MET 58 N 0.29 0.69 -0.45 1.69 4.05 -0.63 -1.37 114.93 119.19 2va0 h MET 58 Ca -0.07 -0.17 -0.05 0.00 -0.28 0.00 0.00 59.70 59.14 2va0 h MET 58 Cb 1.50 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 32.19 2va0 h MET 58 CO 0.16 0.70 0.09 0.28 0.23 0.00 0.00 176.91 178.36 2va0 h VAL 59 N 0.55 1.24 -0.99 -5.77 2.07 -0.77 0.12 116.25 112.70 2va0 h VAL 59 Ca 0.13 -0.87 0.18 0.00 0.82 0.00 0.00 66.70 66.97 2va0 h VAL 59 Cb 0.32 0.95 -0.10 0.00 -1.52 0.00 0.00 31.29 30.94 2va0 h VAL 59 CO 0.00 0.30 0.61 1.23 0.02 0.00 0.00 177.57 179.74 2va0 h GLY 60 N 0.60 1.62 0.34 2.17 0.00 -0.94 -1.87 103.07 105.00 2va0 h GLY 60 Ca 0.14 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 2va0 h GLY 60 CO 0.01 -0.02 -0.35 -0.57 0.00 0.00 0.00 176.54 175.60 2va0 h ASN 61 N 0.74 0.22 -0.23 0.19 -0.73 -0.84 -3.38 115.58 111.55 2va0 h ASN 61 Ca 0.55 -0.94 -0.02 0.00 1.87 0.00 0.00 56.30 57.76 2va0 h ASN 61 Cb 0.89 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 39.40 2va0 h ASN 61 CO -0.33 1.14 0.08 0.00 -0.37 0.00 0.00 177.43 177.95 2va0 h ALA 62 N 0.08 1.60 0.00 1.57 0.00 -0.34 -2.78 119.26 119.38 2va0 h ALA 62 Ca -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2va0 h ALA 62 Cb 1.24 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2va0 h ALA 62 CO 0.07 0.31 -0.04 0.97 0.00 0.00 0.00 179.25 180.55 2va0 h ILE 63 N 0.42 0.38 -0.76 0.00 6.09 -1.53 -0.88 117.51 121.23 2va0 h ILE 63 Ca 0.10 -0.22 -0.30 0.00 -1.37 0.00 0.00 64.86 63.07 2va0 h ILE 63 Cb 0.15 1.16 -0.18 0.00 0.47 0.00 0.00 36.82 38.41 2va0 h ILE 63 CO -0.01 0.04 0.35 0.59 -3.07 0.00 0.00 178.15 176.05 2va0 n ASN 64 N -3.55 4.14 -4.24 2.19 3.02 -1.05 -4.33 115.26 111.44 2va0 n ASN 64 Ca -0.02 -3.41 -0.16 0.00 -0.03 0.00 0.00 54.58 50.96 2va0 n ASN 64 Cb 0.15 -0.75 -0.10 0.00 -0.61 0.00 0.00 39.78 38.46 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 -3.12 1.04 0.58 3.52 0.52 -0.34 -4.97 118.95 116.18 2va0 s ARG 65 Ca 0.54 -1.35 0.05 0.00 -0.52 0.00 0.00 55.73 54.45 2va0 s ARG 65 Cb 0.45 -0.74 0.10 0.00 0.52 0.00 0.00 34.95 35.28 2va0 s ARG 65 CO 0.11 0.12 0.80 0.27 0.02 0.00 0.00 175.30 176.61 2va0 n ASN 66 N 0.14 1.63 -0.11 0.23 0.23 -1.26 -3.14 115.26 112.98 2va0 n ASN 66 Ca -0.13 -2.25 -0.09 0.00 -0.53 0.00 0.00 54.58 51.59 2va0 n ASN 66 Cb 0.59 -0.47 -0.01 0.00 -2.08 0.00 0.00 39.78 37.81 2va0 n ASN 66 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2va0 h THR 67 N -0.18 1.13 -0.25 5.53 2.02 -1.97 -0.97 112.91 118.22 2va0 h THR 67 Ca -0.27 -0.35 -0.14 0.00 0.77 0.00 0.00 66.41 66.43 2va0 h THR 67 Cb 1.12 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2va0 h THR 67 CO 0.34 0.14 -0.39 -0.61 0.37 0.00 0.00 175.52 175.36 2va0 h GLN 68 N 0.43 0.71 -0.67 6.66 5.75 -1.99 -1.03 115.11 124.97 2va0 h GLN 68 Ca 0.12 -0.43 -0.05 0.00 -0.15 0.00 0.00 58.65 58.14 2va0 h GLN 68 Cb 0.05 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 2va0 h GLN 68 CO -0.02 1.05 0.21 1.96 -2.65 0.00 0.00 178.83 179.38 2va0 h GLN 69 N 0.44 1.02 -0.09 1.69 4.20 -1.93 -1.95 115.11 118.48 2va0 h GLN 69 Ca 0.02 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.42 2va0 h GLN 69 Cb 0.99 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 2va0 h GLN 69 CO 0.09 0.87 -0.46 1.25 -0.67 0.00 0.00 178.83 179.91 2va0 h LEU 70 N 0.98 0.24 -0.20 1.46 5.85 -0.87 -1.24 115.31 121.53 2va0 h LEU 70 Ca 0.22 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2va0 h LEU 70 Cb 0.27 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2va0 h LEU 70 CO -0.01 0.67 0.06 0.74 -0.34 0.00 0.00 178.44 179.56 2va0 h THR 71 N 0.19 1.19 -0.11 1.05 2.02 -0.79 -1.88 112.91 114.58 2va0 h THR 71 Ca 0.01 -0.58 -0.16 0.00 0.77 0.00 0.00 66.41 66.45 2va0 h THR 71 Cb 0.89 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 2va0 h THR 71 CO 0.07 0.18 -0.62 0.06 0.37 0.00 0.00 175.52 175.59 2va0 h GLN 72 N 0.14 0.38 0.00 6.66 3.07 -1.24 -1.10 115.11 123.02 2va0 h GLN 72 Ca 0.06 -0.26 -0.11 0.00 0.09 0.00 0.00 58.65 58.43 2va0 h GLN 72 Cb 0.23 0.04 -0.02 0.00 0.08 0.00 0.00 27.48 27.81 2va0 h GLN 72 CO -0.00 0.88 -0.51 0.38 0.09 0.00 0.00 178.83 179.67 2va0 h ASP 73 N 0.28 0.00 -0.60 0.06 3.04 -1.21 -1.06 116.42 116.92 2va0 h ASP 73 Ca -0.01 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.71 2va0 h ASP 73 Cb 1.15 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.42 2va0 h ASP 73 CO 0.10 0.51 0.10 0.25 -2.04 0.00 0.00 179.24 178.16 2va0 h LEU 74 N 0.00 0.96 -1.14 0.15 5.85 -1.14 -2.88 115.31 117.10 2va0 h LEU 74 Ca -0.01 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 2va0 h LEU 74 Cb 1.14 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 2va0 h LEU 74 CO 0.07 0.97 0.03 -0.09 -0.34 0.00 0.00 178.44 179.07 2va0 h ARG 75 N 0.90 0.63 0.00 1.25 2.43 -0.77 -2.93 114.38 115.88 2va0 h ARG 75 Ca 0.18 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2va0 h ARG 75 Cb 0.42 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2va0 h ARG 75 CO 0.01 0.63 0.00 0.00 -1.51 0.00 0.00 179.97 179.10 2va0 n ALA 76 N -2.47 1.82 -1.79 2.80 0.00 -0.44 -4.80 120.51 115.62 2va0 n ALA 76 Ca 0.02 -0.06 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 2va0 n ALA 76 Cb 0.25 -1.29 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 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 -2.98 3.94 0.40 0.00 -1.94 -1.11 -5.00 119.30 112.61 2va0 s MET 77 Ca 0.09 1.38 -0.25 0.00 -1.71 0.00 0.00 55.69 55.20 2va0 s MET 77 Cb 0.12 -2.23 -0.08 0.00 2.01 0.00 0.00 34.83 34.65 2va0 s MET 77 CO 0.32 -0.32 1.20 -1.25 -0.01 0.00 0.00 175.02 174.96 2va0 s PRO 78 N -3.02 4.02 0.32 2.03 0.04 -1.26 -4.82 135.00 132.30 2va0 s PRO 78 Ca 0.64 1.90 0.08 0.00 0.04 0.00 0.00 61.00 63.66 2va0 s PRO 78 Cb -0.17 -2.68 0.81 0.00 0.04 0.00 0.00 34.50 32.50 2va0 s PRO 78 CO 0.21 -0.37 1.76 -0.91 0.04 0.00 0.00 177.00 177.74 2va0 h ASN 79 N 2.62 0.73 0.44 6.66 4.21 -1.94 0.50 115.58 128.79 2va0 h ASN 79 Ca -0.49 0.11 -0.04 0.00 1.21 0.00 0.00 56.30 57.09 2va0 h ASN 79 Cb 1.24 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 38.41 2va0 h ASN 79 CO 0.62 0.21 -0.17 4.11 -1.29 0.00 0.00 177.43 180.92 2va0 h TRP 80 N 0.68 0.00 0.00 1.19 5.08 -2.03 -2.69 115.95 118.19 2va0 h TRP 80 Ca 0.60 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 60.41 2va0 h TRP 80 Cb 1.03 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.17 2va0 h TRP 80 CO -0.00 0.17 -1.52 -1.13 -1.28 0.00 0.00 178.44 174.68 2va0 n SER 81 N -3.69 0.70 -0.08 0.11 3.41 0.11 -4.08 113.62 110.11 2va0 n SER 81 Ca -0.02 0.30 0.01 0.00 -0.26 0.00 0.00 58.87 58.90 2va0 n SER 81 Cb 0.29 0.43 0.30 0.00 -0.26 0.00 0.00 64.21 64.97 2va0 n SER 81 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2va0 h LEU 82 N 0.00 0.63 -0.02 1.04 3.38 -1.07 -2.49 115.31 116.77 2va0 h LEU 82 Ca -0.17 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2va0 h LEU 82 Cb 1.53 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2va0 h LEU 82 CO 0.04 0.56 0.08 -2.11 0.09 0.00 0.00 178.44 177.10 2va0 n ARG 83 N -4.36 0.00 0.00 1.13 1.85 -1.17 -1.54 116.66 112.57 2va0 n ARG 83 Ca 0.04 0.42 0.05 0.00 -1.00 0.00 0.00 57.85 57.36 2va0 n ARG 83 Cb 0.14 -1.59 -0.00 0.00 -1.05 0.00 0.00 32.46 29.96 2va0 n ARG 83 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2va0 n PHE 84 N -1.44 0.00 -4.27 2.89 0.99 -0.94 -4.88 117.46 109.82 2va0 n PHE 84 Ca -0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.25 2va0 n PHE 84 Cb 0.08 0.00 -0.16 0.00 -1.00 0.00 0.00 39.48 38.40 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 -1.35 0.64 0.04 -4.37 1.01 -0.59 -1.10 120.40 114.68 2va0 s VAL 85 Ca 0.08 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.89 2va0 s VAL 85 Cb 0.08 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 2va0 s VAL 85 CO 0.25 0.23 -0.18 -0.31 0.00 0.00 0.00 175.10 175.09 2va0 s TYR 86 N 0.59 1.54 -0.27 5.22 1.51 0.59 -4.88 117.35 121.64 2va0 s TYR 86 Ca -0.08 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.63 2va0 s TYR 86 Cb -0.12 -0.92 0.07 0.00 -0.11 0.00 0.00 41.96 40.89 2va0 s TYR 86 CO 0.01 0.06 -0.01 0.42 -1.11 0.00 0.00 175.55 174.91 2va0 s ILE 87 N -0.77 1.61 -0.21 2.71 1.01 -1.26 -0.12 121.20 124.17 2va0 s ILE 87 Ca 0.05 -1.50 -0.09 0.00 0.00 0.00 0.00 60.65 59.11 2va0 s ILE 87 Cb -0.08 -1.98 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 2va0 s ILE 87 CO 0.01 -0.29 0.11 -0.69 0.00 0.00 0.00 174.94 174.09 2va0 s VAL 88 N 1.31 5.11 0.79 2.92 1.01 0.32 -1.18 120.40 130.69 2va0 s VAL 88 Ca -0.00 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.99 2va0 s VAL 88 Cb -0.19 -3.34 0.17 0.00 0.00 0.00 0.00 36.38 33.02 2va0 s VAL 88 CO -0.09 0.42 1.08 -0.90 0.00 0.00 0.00 175.10 175.60 2va0 n ASP 89 N 3.81 0.75 0.15 3.32 5.68 0.46 -0.29 116.55 130.43 2va0 n ASP 89 Ca -0.16 -1.80 0.10 0.00 -0.50 0.00 0.00 54.79 52.43 2va0 n ASP 89 Cb 0.52 -0.76 0.54 0.00 -1.14 0.00 0.00 41.12 40.27 2va0 n ASP 89 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 2va0 n ARG 90 N -3.15 0.13 -0.48 0.11 1.85 -1.24 -1.26 116.66 112.62 2va0 n ARG 90 Ca 0.16 0.63 0.10 0.00 -1.00 0.00 0.00 57.85 57.73 2va0 n ARG 90 Cb 0.55 -1.93 0.33 0.00 -1.05 0.00 0.00 32.46 30.36 2va0 n ARG 90 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2va0 n ASN 91 N -2.19 4.19 -3.02 2.89 3.02 -1.26 -4.93 115.26 113.95 2va0 n ASN 91 Ca -0.01 -2.22 -0.22 0.00 -0.03 0.00 0.00 54.58 52.09 2va0 n ASN 91 Cb 0.04 -0.52 0.02 0.00 -0.61 0.00 0.00 39.78 38.71 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 1.31 -5.47 -4.58 6.41 3.02 -0.39 -5.00 115.26 110.57 2va0 n ASN 92 Ca 0.24 -0.27 -0.34 0.00 -0.03 0.00 0.00 54.58 54.19 2va0 n ASN 92 Cb 0.73 -4.46 -0.11 0.00 -0.61 0.00 0.00 39.78 35.34 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 -5.69 3.06 0.44 3.52 -0.21 -1.26 -4.86 119.66 114.66 2va0 s GLN 93 Ca 0.29 -0.51 -0.25 0.00 0.02 0.00 0.00 55.36 54.91 2va0 s GLN 93 Cb -0.14 -2.72 -0.08 0.00 1.00 0.00 0.00 33.01 31.07 2va0 s GLN 93 CO 0.36 0.55 1.30 0.34 -2.12 0.00 0.00 175.29 175.71 2va0 s ASP 94 N -0.49 6.11 0.58 5.90 2.15 -1.26 -0.40 116.67 129.26 2va0 s ASP 94 Ca 0.08 2.63 0.35 0.00 0.43 0.00 0.00 52.55 56.04 2va0 s ASP 94 Cb -0.12 -2.63 1.79 0.00 -0.30 0.00 0.00 42.92 41.65 2va0 s ASP 94 CO 0.02 -0.98 2.17 -0.07 -0.17 0.00 0.00 175.17 176.13 2va0 h LEU 95 N 2.39 0.00 -3.29 -1.34 3.38 -1.53 0.36 115.31 115.27 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 0.61 0.04 0.00 0.18 0.09 0.00 0.00 178.44 179.37 2va0 n LEU 96 N -3.34 5.20 -2.34 1.67 4.77 -1.26 -4.96 117.00 116.73 2va0 n LEU 96 Ca -0.02 -2.63 -0.17 0.00 -0.03 0.00 0.00 56.01 53.16 2va0 n LEU 96 Cb 0.19 -0.63 -0.01 0.00 -2.33 0.00 0.00 43.42 40.63 2va0 n LEU 96 CO 0.26 0.72 -0.21 0.29 -1.33 0.00 0.00 177.39 177.12 2va0 n LYS 97 N 0.90 -1.90 -2.75 3.23 4.76 0.13 -4.98 118.16 117.56 2va0 n LYS 97 Ca 0.27 0.83 -0.33 0.00 -2.87 0.00 0.00 58.31 56.21 2va0 n LYS 97 Cb 1.03 -5.44 -0.06 0.00 -1.84 0.00 0.00 35.03 28.72 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 -4.90 4.18 0.35 1.97 0.52 -1.26 -4.93 118.95 114.87 2va0 s ARG 98 Ca 0.00 1.11 -0.27 0.00 -0.52 0.00 0.00 55.73 56.04 2va0 s ARG 98 Cb 0.00 -2.17 -0.09 0.00 0.52 0.00 0.00 34.95 33.21 2va0 s ARG 98 CO 0.00 -0.08 1.16 -1.25 0.02 0.00 0.00 175.30 175.16 2va0 s PRO 99 N -3.30 4.30 -0.17 3.54 0.04 -1.26 -4.37 135.00 133.79 2va0 s PRO 99 Ca 0.62 1.88 -0.25 0.00 0.04 0.00 0.00 61.00 63.28 2va0 s PRO 99 Cb -0.09 -2.90 -0.02 0.00 0.04 0.00 0.00 34.50 31.53 2va0 s PRO 99 CO 0.16 -0.11 0.83 -0.51 0.04 0.00 0.00 177.00 177.41 2va0 s LEU 100 N -2.04 4.18 0.79 -3.56 1.43 -1.26 -5.03 118.68 113.19 2va0 s LEU 100 Ca 0.52 1.18 -0.12 0.00 -1.03 0.00 0.00 54.13 54.67 2va0 s LEU 100 Cb -0.32 -3.24 0.07 0.00 0.03 0.00 0.00 46.19 42.74 2va0 s LEU 100 CO 0.41 -0.39 1.15 -2.84 0.23 0.00 0.00 176.35 174.91 2va0 s PRO 101 N 2.11 1.86 0.40 1.29 0.02 -1.26 -4.89 135.00 134.52 2va0 s PRO 101 Ca 0.38 1.52 -0.26 0.00 0.02 0.00 0.00 61.00 62.67 2va0 s PRO 101 Cb -0.17 -1.82 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 2va0 s PRO 101 CO 0.13 -2.00 1.20 -1.25 -0.33 0.00 0.00 177.00 174.75 2va0 s PRO 102 N -4.39 4.06 0.00 5.54 0.04 -1.26 -2.22 135.00 136.77 2va0 s PRO 102 Ca 0.68 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.64 2va0 s PRO 102 Cb -0.23 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.59 2va0 s PRO 102 CO 0.51 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.62 2va0 n GLY 103 N 0.67 3.14 0.26 0.56 0.00 -1.26 -4.86 105.19 103.69 2va0 n GLY 103 Ca 0.04 -0.98 0.04 0.00 0.00 0.00 0.00 46.02 45.12 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 0.62 -0.07 -0.61 1.08 -1.79 -1.19 117.51 115.54 2va0 h ILE 104 Ca 0.00 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 2va0 h ILE 104 Cb 0.00 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 34.01 2va0 h ILE 104 CO 0.00 0.06 0.00 0.23 -0.69 0.00 0.00 178.15 177.75 2va0 n MET 105 N -5.09 1.35 0.04 2.37 2.81 -1.26 -0.61 117.12 116.73 2va0 n MET 105 Ca 0.12 -0.53 -0.21 0.00 -1.81 0.00 0.00 57.70 55.28 2va0 n MET 105 Cb 0.39 -1.36 -0.14 0.00 -0.71 0.00 0.00 33.22 31.40 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 1.09 0.86 0.21 2.03 2.07 -1.61 -3.41 116.25 117.47 2va0 h VAL 106 Ca 0.00 -2.51 -0.27 0.00 0.82 0.00 0.00 66.70 64.74 2va0 h VAL 106 Cb 0.24 2.66 0.03 0.00 -1.52 0.00 0.00 31.29 32.70 2va0 h VAL 106 CO 0.00 0.85 -1.18 0.25 0.02 0.00 0.00 177.57 177.50 2va0 h LEU 107 N 0.09 0.68 -0.09 2.57 5.85 -1.00 -3.40 115.31 120.02 2va0 h LEU 107 Ca -0.35 -0.94 0.03 0.00 0.84 0.00 0.00 57.88 57.46 2va0 h LEU 107 Cb 2.06 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.83 2va0 h LEU 107 CO 0.14 1.57 -0.14 0.00 -0.34 0.00 0.00 178.44 179.68 2va0 h ALA 108 N 0.12 -0.09 -0.06 1.25 0.00 -1.09 -1.62 119.26 117.77 2va0 h ALA 108 Ca -0.21 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2va0 h ALA 108 Cb 1.94 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.99 2va0 h ALA 108 CO 0.22 -0.60 0.35 -1.35 0.00 0.00 0.00 179.25 177.87 2va0 h PRO 109 N -0.19 0.00 0.00 0.00 0.11 -1.80 -0.59 132.00 129.54 2va0 h PRO 109 Ca 0.08 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.04 2va0 h PRO 109 Cb 0.30 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 2va0 h PRO 109 CO -0.20 0.00 -0.75 0.00 -0.21 0.00 0.00 178.00 176.84 2va0 h ARG 110 N 0.00 0.00 -6.20 1.05 3.08 -1.51 -3.44 114.38 107.35 2va0 h ARG 110 Ca 0.03 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.50 2va0 h ARG 110 Cb 0.73 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.72 2va0 h ARG 110 CO -0.00 0.62 0.83 -0.51 -1.07 0.00 0.00 179.97 179.84 2va0 s LEU 111 N -6.46 4.01 0.13 3.04 1.43 -0.23 -4.83 118.68 115.77 2va0 s LEU 111 Ca 0.02 1.21 -0.00 0.00 -1.03 0.00 0.00 54.13 54.33 2va0 s LEU 111 Cb 0.08 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 2va0 s LEU 111 CO 0.77 -0.78 0.03 -0.89 0.23 0.00 0.00 176.35 175.71 2va0 s THR 112 N 3.45 0.23 0.21 5.49 2.01 -0.50 -4.86 115.64 121.68 2va0 s THR 112 Ca 0.45 -1.91 -0.09 0.00 0.31 0.00 0.00 61.69 60.45 2va0 s THR 112 Cb -0.14 -2.00 0.15 0.00 0.01 0.00 0.00 72.50 70.53 2va0 s THR 112 CO 0.11 -0.53 1.81 0.00 -0.69 0.00 0.00 174.62 175.32 2va0 h ALA 113 N 2.87 0.92 0.00 7.40 0.00 -1.94 -1.06 119.26 127.45 2va0 h ALA 113 Ca -0.35 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 2va0 h ALA 113 Cb 1.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2va0 h ALA 113 CO 0.61 0.06 -0.61 0.87 0.00 0.00 0.00 179.25 180.18 2va0 h LYS 114 N 0.70 0.00 -2.30 0.00 1.57 -1.97 -3.38 116.57 111.19 2va0 h LYS 114 Ca 0.31 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.50 2va0 h LYS 114 Cb 0.19 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.12 2va0 h LYS 114 CO -0.19 0.61 -0.99 0.72 -0.57 0.00 0.00 179.45 179.03 2va0 n HIS 115 N -3.47 -0.69 0.24 -1.35 8.25 -1.06 -5.01 115.22 112.13 2va0 n HIS 115 Ca 0.00 -3.39 0.13 0.00 -0.26 0.00 0.00 57.72 54.20 2va0 n HIS 115 Cb 0.69 0.11 0.51 0.00 1.12 0.00 0.00 29.99 32.43 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 5.28 0.00 -6.40 -0.41 0.13 -1.39 -1.31 132.00 127.89 2va0 h PRO 116 Ca 0.23 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.66 2va0 h PRO 116 Cb 0.90 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.74 2va0 h PRO 116 CO 0.40 0.13 -0.86 -0.47 -0.23 0.00 0.00 178.00 176.97 2va0 s TYR 117 N -3.61 2.45 0.17 1.56 5.04 -1.26 -0.96 117.35 120.73 2va0 s TYR 117 Ca 0.01 -0.43 -0.23 0.00 -2.44 0.00 0.00 57.07 53.98 2va0 s TYR 117 Cb 0.09 -1.56 0.06 0.00 0.35 0.00 0.00 41.96 40.91 2va0 s TYR 117 CO 0.61 -0.03 0.64 0.34 -1.34 0.00 0.00 175.55 175.77 2va0 s ASP 118 N -0.53 -0.51 -0.02 4.32 2.15 -0.90 -5.01 116.67 116.18 2va0 s ASP 118 Ca 0.07 -0.09 0.03 0.00 0.43 0.00 0.00 52.55 52.99 2va0 s ASP 118 Cb -0.11 0.60 -0.00 0.00 -0.30 0.00 0.00 42.92 43.11 2va0 s ASP 118 CO 0.00 -1.00 -0.11 -0.75 -0.17 0.00 0.00 175.17 173.14 2va0 s LYS 119 N -3.73 1.06 0.02 4.34 2.20 -1.26 -1.01 119.74 121.36 2va0 s LYS 119 Ca 0.03 -0.39 0.02 0.00 -0.36 0.00 0.00 55.97 55.26 2va0 s LYS 119 Cb -0.02 -0.99 -0.02 0.00 -1.51 0.00 0.00 37.83 35.30 2va0 s LYS 119 CO -0.10 0.19 -0.06 0.14 -0.36 0.00 0.00 175.35 175.16 2va0 s VAL 120 N -0.03 0.41 -0.19 4.02 -7.23 0.08 -4.98 120.40 112.48 2va0 s VAL 120 Ca 0.00 -0.72 -0.19 0.00 -1.81 0.00 0.00 61.98 59.26 2va0 s VAL 120 Cb -0.07 -0.44 -0.03 0.00 0.56 0.00 0.00 36.38 36.40 2va0 s VAL 120 CO 0.00 -0.22 0.54 -1.10 -0.31 0.00 0.00 175.10 174.02 2va0 s GLN 121 N -1.00 4.21 -0.13 4.82 -1.52 -1.26 0.23 119.66 125.00 2va0 s GLN 121 Ca -0.06 0.47 -0.06 0.00 -1.95 0.00 0.00 55.36 53.75 2va0 s GLN 121 Cb -0.07 -3.56 0.06 0.00 -0.22 0.00 0.00 33.01 29.22 2va0 s GLN 121 CO 0.00 -0.15 0.30 0.34 -0.25 0.00 0.00 175.29 175.53 2va0 s ASP 122 N 1.13 -0.15 -1.32 5.90 2.15 0.68 -4.94 116.67 120.12 2va0 s ASP 122 Ca 0.25 0.67 -0.04 0.00 0.43 0.00 0.00 52.55 53.86 2va0 s ASP 122 Cb -0.16 0.66 -0.00 0.00 -0.30 0.00 0.00 42.92 43.12 2va0 s ASP 122 CO 0.10 -0.20 0.58 0.54 -0.17 0.00 0.00 175.17 176.02 2va0 n ARG 123 N 4.66 -3.39 -3.85 4.34 1.74 -1.26 -0.94 116.66 117.95 2va0 n ARG 123 Ca -0.18 0.49 -0.27 0.00 -0.77 0.00 0.00 57.85 57.11 2va0 n ARG 123 Cb 0.52 -4.67 0.02 0.00 -1.02 0.00 0.00 32.46 27.32 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 -2.95 -3.30 -3.81 0.55 4.13 -1.26 -5.00 115.26 103.61 2va0 n ASN 124 Ca -0.27 -0.81 -0.12 0.00 1.68 0.00 0.00 54.58 55.06 2va0 n ASN 124 Cb 0.67 -3.87 -0.10 0.00 -1.54 0.00 0.00 39.78 34.94 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 -6.41 0.49 -0.20 3.52 0.52 -0.12 -5.02 118.95 111.74 2va0 s ARG 125 Ca 0.41 -0.14 -0.10 0.00 -0.52 0.00 0.00 55.73 55.38 2va0 s ARG 125 Cb -0.20 0.21 -0.05 0.00 0.52 0.00 0.00 34.95 35.43 2va0 s ARG 125 CO 0.83 -0.12 0.13 0.15 0.02 0.00 0.00 175.30 176.31 2va0 s LYS 126 N -0.97 4.15 -0.09 3.54 1.02 -1.26 -0.23 119.74 125.90 2va0 s LYS 126 Ca -0.11 -0.23 0.01 0.00 0.02 0.00 0.00 55.97 55.67 2va0 s LYS 126 Cb -0.05 -3.40 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 2va0 s LYS 126 CO 0.02 0.31 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.14 2va0 s LEU 127 N 0.31 2.85 -0.03 3.17 1.02 0.13 -1.98 118.68 124.16 2va0 s LEU 127 Ca 0.08 -0.20 0.07 0.00 0.02 0.00 0.00 54.13 54.09 2va0 s LEU 127 Cb -0.11 -1.61 -0.02 0.00 0.02 0.00 0.00 46.19 44.47 2va0 s LEU 127 CO -0.02 0.28 -0.23 -0.31 0.02 0.00 0.00 176.35 176.09 2va0 s TYR 128 N -0.31 2.08 -0.00 0.29 1.51 -0.44 -0.74 117.35 119.74 2va0 s TYR 128 Ca 0.03 -0.45 -0.05 0.00 -1.01 0.00 0.00 57.07 55.60 2va0 s TYR 128 Cb -0.13 -1.35 -0.00 0.00 -0.11 0.00 0.00 41.96 40.37 2va0 s TYR 128 CO 0.03 -0.07 0.09 0.20 -1.11 0.00 0.00 175.55 174.68 2va0 s GLY 129 N -0.43 0.08 -0.12 0.71 0.00 -0.18 -1.09 107.32 106.28 2va0 s GLY 129 Ca 0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 44.72 44.55 2va0 s GLY 129 CO 0.00 -0.29 0.26 -1.60 0.00 0.00 0.00 173.10 171.48 2va0 s ARG 130 N -1.15 0.16 -0.03 2.90 6.06 -0.23 -2.11 118.95 124.56 2va0 s ARG 130 Ca -0.12 0.70 -0.25 0.00 -2.50 0.00 0.00 55.73 53.55 2va0 s ARG 130 Cb -0.07 -0.06 -0.04 0.00 0.06 0.00 0.00 34.95 34.84 2va0 s ARG 130 CO 0.01 -0.25 0.77 -1.58 -2.50 0.00 0.00 175.30 171.74 2va0 s HIS 131 N 2.12 3.63 0.10 5.12 5.65 -0.13 -1.25 115.29 130.54 2va0 s HIS 131 Ca -0.02 1.39 -0.00 0.00 0.25 0.00 0.00 55.06 56.69 2va0 s HIS 131 Cb -0.12 -2.87 -0.04 0.00 -1.18 0.00 0.00 32.58 28.37 2va0 s HIS 131 CO -0.09 0.11 -0.01 0.96 -0.65 0.00 0.00 174.74 175.07 2va0 s ILE 132 N 0.65 0.35 -0.15 0.89 -4.36 -0.68 -4.84 121.20 113.07 2va0 s ILE 132 Ca 0.41 -1.89 -0.01 0.00 -0.26 0.00 0.00 60.65 58.90 2va0 s ILE 132 Cb -0.19 -1.79 -0.01 0.00 1.25 0.00 0.00 42.46 41.72 2va0 s ILE 132 CO 0.21 -0.74 -0.12 -0.89 0.24 0.00 0.00 174.94 173.64 2va0 s THR 133 N -3.86 3.03 1.07 8.37 2.01 -1.26 -1.72 115.64 123.27 2va0 s THR 133 Ca 0.15 -0.66 -0.18 0.00 0.31 0.00 0.00 61.69 61.32 2va0 s THR 133 Cb 0.07 -2.29 0.24 0.00 0.01 0.00 0.00 72.50 70.54 2va0 s THR 133 CO -0.03 0.51 1.25 -0.76 -0.69 0.00 0.00 174.62 174.89 2va0 s LEU 134 N 0.57 1.92 0.12 4.42 1.43 0.02 -4.91 118.68 122.24 2va0 s LEU 134 Ca -0.08 0.37 0.25 0.00 -1.03 0.00 0.00 54.13 53.65 2va0 s LEU 134 Cb -0.16 -2.26 0.95 0.00 0.03 0.00 0.00 46.19 44.75 2va0 s LEU 134 CO 0.03 -3.33 1.78 -0.46 0.23 0.00 0.00 176.35 174.60 2va0 n ASN 135 N -4.19 0.43 -0.10 2.29 0.23 -1.19 -2.38 115.26 110.35 2va0 n ASN 135 Ca 0.15 0.56 0.19 0.00 -0.53 0.00 0.00 54.58 54.95 2va0 n ASN 135 Cb 0.59 -0.66 0.61 0.00 -2.08 0.00 0.00 39.78 38.24 2va0 n ASN 135 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2va0 h ASP 136 N 0.00 0.18 0.00 0.53 3.32 -1.92 -3.48 116.42 115.05 2va0 h ASP 136 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2va0 h ASP 136 Cb 0.54 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2va0 h ASP 136 CO 0.00 0.09 0.00 0.61 -1.72 0.00 0.00 179.24 178.22 2va0 n GLY 137 N -1.60 1.30 3.75 2.75 0.00 -1.00 -5.06 105.19 105.34 2va0 n GLY 137 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.87 7.60 -0.06 1.61 0.01 -1.26 -4.82 114.94 115.15 2va0 s ASN 138 Ca 0.00 1.89 -0.03 0.00 -0.71 0.00 0.00 52.86 54.01 2va0 s ASN 138 Cb 0.00 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 2va0 s ASN 138 CO 0.00 0.16 0.09 -0.44 -1.51 0.00 0.00 177.10 175.40 2va0 s SER 139 N -1.11 5.86 0.05 -1.22 0.01 -1.26 -0.80 113.70 115.22 2va0 s SER 139 Ca 0.40 0.26 -0.02 0.00 1.31 0.00 0.00 55.95 57.91 2va0 s SER 139 Cb -0.25 -1.76 -0.03 0.00 0.21 0.00 0.00 66.02 64.18 2va0 s SER 139 CO 0.31 0.34 0.00 0.68 0.41 0.00 0.00 173.24 174.98 2va0 s VAL 140 N -1.09 0.20 -0.25 3.43 -7.23 -0.70 -3.64 120.40 111.12 2va0 s VAL 140 Ca 0.19 -1.65 0.02 0.00 -1.81 0.00 0.00 61.98 58.74 2va0 s VAL 140 Cb -0.12 -1.39 0.06 0.00 0.56 0.00 0.00 36.38 35.49 2va0 s VAL 140 CO 0.09 -0.91 -0.10 -0.54 -0.31 0.00 0.00 175.10 173.33 2va0 s LYS 141 N -3.70 2.12 -0.12 4.82 1.02 0.60 -1.69 119.74 122.79 2va0 s LYS 141 Ca 0.05 -1.24 -0.26 0.00 0.02 0.00 0.00 55.97 54.53 2va0 s LYS 141 Cb 0.06 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.55 2va0 s LYS 141 CO -0.09 -0.56 0.85 0.08 -0.92 0.00 0.00 175.35 174.71 2va0 s VAL 142 N 1.18 4.89 -0.06 3.17 1.01 -0.38 -0.52 120.40 129.69 2va0 s VAL 142 Ca -0.08 1.71 0.02 0.00 0.00 0.00 0.00 61.98 63.63 2va0 s VAL 142 Cb -0.19 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.03 2va0 s VAL 142 CO -0.06 0.08 -0.11 -0.69 0.00 0.00 0.00 175.10 174.32 2va0 s VAL 143 N 1.75 1.06 0.16 2.92 1.01 0.82 -1.06 120.40 127.06 2va0 s VAL 143 Ca 0.41 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 62.06 2va0 s VAL 143 Cb -0.18 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2va0 s VAL 143 CO 0.16 0.34 -0.16 0.42 0.00 0.00 0.00 175.10 175.86 2va0 s THR 144 N 0.74 2.89 0.01 3.92 -4.23 -0.25 -0.30 115.64 118.42 2va0 s THR 144 Ca -0.13 -1.70 0.04 0.00 -1.18 0.00 0.00 61.69 58.72 2va0 s THR 144 Cb -0.15 -2.39 -0.01 0.00 1.34 0.00 0.00 72.50 71.28 2va0 s THR 144 CO 0.03 -0.05 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.30 2va0 s ILE 145 N -1.52 1.03 0.77 2.99 1.01 -0.26 -1.32 121.20 123.90 2va0 s ILE 145 Ca 0.22 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 60.09 2va0 s ILE 145 Cb -0.09 -0.88 0.09 0.00 0.01 0.00 0.00 42.46 41.59 2va0 s ILE 145 CO 0.12 0.19 1.10 -0.94 0.00 0.00 0.00 174.94 175.41 2va0 s SER 146 N -0.57 4.43 0.00 3.58 1.04 -0.84 -4.71 113.70 116.64 2va0 s SER 146 Ca 0.04 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.88 2va0 s SER 146 Cb -0.06 -0.91 0.00 0.00 0.10 0.00 0.00 66.02 65.15 2va0 s SER 146 CO 0.00 -1.87 0.00 0.00 0.98 0.00 0.00 173.24 172.35