#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pv4 n SER 2 N 0.00 0.00 -0.06 1.61 7.64 -1.26 -2.47 113.62 119.08 2pv4 n SER 2 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 2pv4 n SER 2 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 2pv4 n SER 2 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2pv4 h GLU 3 N 0.00 0.30 -0.52 1.43 4.81 -2.05 -1.05 114.58 117.50 2pv4 h GLU 3 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2pv4 h GLU 3 Cb 0.00 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 2pv4 h GLU 3 CO 0.00 0.44 0.34 0.82 -0.73 0.00 0.00 179.01 179.87 2pv4 h ILE 4 N 0.11 1.14 -0.38 2.32 1.08 -1.92 0.27 117.51 120.14 2pv4 h ILE 4 Ca 0.06 -0.26 -0.08 0.00 -0.39 0.00 0.00 64.86 64.19 2pv4 h ILE 4 Cb 0.27 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 2pv4 h ILE 4 CO 0.00 0.13 -0.09 0.44 -0.69 0.00 0.00 178.15 177.95 2pv4 h ASP 5 N 0.70 0.62 -0.47 1.72 3.32 -1.85 -0.16 116.42 120.31 2pv4 h ASP 5 Ca 0.19 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 2pv4 h ASP 5 Cb -0.07 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 2pv4 h ASP 5 CO -0.04 0.75 -0.08 0.00 -1.72 0.00 0.00 179.24 178.16 2pv4 h ALA 6 N 1.31 0.64 -0.41 3.45 0.00 -0.54 -1.74 119.26 121.97 2pv4 h ALA 6 Ca 0.11 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2pv4 h ALA 6 Cb 0.51 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2pv4 h ALA 6 CO 0.03 0.52 0.19 -0.91 0.00 0.00 0.00 179.25 179.08 2pv4 h ASN 7 N 0.73 0.26 -0.22 0.00 2.35 -0.68 -0.94 115.58 117.09 2pv4 h ASN 7 Ca 0.12 0.03 0.05 0.00 -0.55 0.00 0.00 56.30 55.95 2pv4 h ASN 7 Cb 0.62 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.91 2pv4 h ASN 7 CO 0.04 0.19 -0.12 0.22 -1.65 0.00 0.00 177.43 176.11 2pv4 h TYR 8 N 0.39 -0.29 -0.62 1.19 5.03 -0.85 -1.30 116.97 120.53 2pv4 h TYR 8 Ca 0.18 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.46 2pv4 h TYR 8 Cb 0.11 0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.52 2pv4 h TYR 8 CO -0.11 -0.18 0.18 0.00 -1.32 0.00 0.00 178.16 176.72 2pv4 h ARG 9 N -0.10 0.94 0.02 1.82 3.08 -0.95 -0.78 114.38 118.41 2pv4 h ARG 9 Ca 0.12 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2pv4 h ARG 9 Cb 0.28 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2pv4 h ARG 9 CO -0.28 0.82 -0.01 0.00 -1.07 0.00 0.00 179.97 179.42 2pv4 h ALA 10 N 1.29 -0.03 -0.29 0.04 0.00 -0.86 -0.52 119.26 118.89 2pv4 h ALA 10 Ca 0.20 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2pv4 h ALA 10 Cb 0.28 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2pv4 h ALA 10 CO -0.01 -0.47 0.05 1.25 0.00 0.00 0.00 179.25 180.08 2pv4 h LEU 11 N -0.13 0.46 -0.75 0.00 5.85 -1.06 -0.55 115.31 119.12 2pv4 h LEU 11 Ca -0.00 -0.25 0.10 0.00 0.84 0.00 0.00 57.88 58.56 2pv4 h LEU 11 Cb 0.12 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 2pv4 h LEU 11 CO 0.00 0.59 0.39 0.00 -0.34 0.00 0.00 178.44 179.09 2pv4 h ALA 12 N 0.88 1.06 -0.11 1.25 0.00 -1.11 -0.28 119.26 120.95 2pv4 h ALA 12 Ca 0.09 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 2pv4 h ALA 12 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2pv4 h ALA 12 CO 0.00 -0.01 -0.63 0.37 0.00 0.00 0.00 179.25 178.99 2pv4 h GLN 13 N 0.66 0.38 -0.55 0.00 5.75 -0.85 -0.21 115.11 120.29 2pv4 h GLN 13 Ca 0.37 -0.27 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 2pv4 h GLN 13 Cb 0.38 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.95 2pv4 h GLN 13 CO -0.27 0.88 0.31 0.37 -2.65 0.00 0.00 178.83 177.48 2pv4 h GLN 14 N 0.28 0.76 -0.15 1.69 4.15 -0.61 -1.58 115.11 119.65 2pv4 h GLN 14 Ca -0.01 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 2pv4 h GLN 14 Cb 1.16 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 2pv4 h GLN 14 CO 0.11 0.57 0.05 0.28 -1.93 0.00 0.00 178.83 177.91 2pv4 h VAL 15 N 0.74 1.16 -0.56 2.39 2.07 -0.79 -1.52 116.25 119.74 2pv4 h VAL 15 Ca 0.20 -0.49 0.10 0.00 0.82 0.00 0.00 66.70 67.33 2pv4 h VAL 15 Cb 0.02 1.22 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 2pv4 h VAL 15 CO -0.03 0.15 0.12 0.00 0.02 0.00 0.00 177.57 177.83 2pv4 h ALA 16 N 0.89 0.65 -0.69 1.67 0.00 -0.86 -1.04 119.26 119.88 2pv4 h ALA 16 Ca 0.05 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2pv4 h ALA 16 Cb 0.19 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2pv4 h ALA 16 CO -0.00 -0.30 0.25 -0.44 0.00 0.00 0.00 179.25 178.75 2pv4 h ASP 17 N 0.26 0.95 -0.54 0.00 3.32 -1.14 -1.09 116.42 118.18 2pv4 h ASP 17 Ca 0.29 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 2pv4 h ASP 17 Cb 0.41 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2pv4 h ASP 17 CO -0.37 0.86 0.19 0.50 -1.72 0.00 0.00 179.24 178.71 2pv4 h LYS 18 N 1.00 0.81 0.12 3.56 1.63 -0.46 0.87 116.57 124.10 2pv4 h LYS 18 Ca 0.23 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 2pv4 h LYS 18 Cb 0.23 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 2pv4 h LYS 18 CO -0.02 0.73 -0.06 0.28 -3.45 0.00 0.00 179.45 176.94 2pv4 h VAL 19 N 0.73 1.07 -0.93 2.00 2.07 -0.99 -2.02 116.25 118.19 2pv4 h VAL 19 Ca 0.18 -1.07 0.04 0.00 0.82 0.00 0.00 66.70 66.67 2pv4 h VAL 19 Cb 0.23 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 2pv4 h VAL 19 CO -0.01 0.24 0.61 0.00 0.02 0.00 0.00 177.57 178.43 2pv4 h ALA 20 N 0.07 1.41 0.00 1.67 0.00 -1.26 -1.38 119.26 119.77 2pv4 h ALA 20 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2pv4 h ALA 20 Cb 0.52 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2pv4 h ALA 20 CO 0.03 0.50 0.00 0.78 0.00 0.00 0.00 179.25 180.55 2pv4 h GLY 21 N 1.16 0.00 1.64 0.00 0.00 -0.68 -1.33 103.07 103.86 2pv4 h GLY 21 Ca 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 2pv4 h GLY 21 CO -0.11 0.00 0.10 -0.09 0.00 0.00 0.00 176.54 176.44 2pv4 h ARG 22 N 0.00 0.47 0.00 4.80 9.65 -0.48 -3.34 114.38 125.48 2pv4 h ARG 22 Ca 0.00 -0.06 -0.09 0.00 -1.10 0.00 0.00 59.98 58.73 2pv4 h ARG 22 Cb 0.18 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.66 2pv4 h ARG 22 CO 0.00 0.42 -1.59 1.33 2.80 0.00 0.00 179.97 182.92 2pv4 n VAL 23 N -4.38 0.33 -3.83 0.20 0.24 -0.59 -5.02 118.33 105.29 2pv4 n VAL 23 Ca 0.02 -0.34 -0.12 0.00 -2.04 0.00 0.00 64.34 61.86 2pv4 n VAL 23 Cb 0.16 -0.22 -0.11 0.00 -1.47 0.00 0.00 33.84 32.21 2pv4 n VAL 23 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 2pv4 s ILE 24 N -2.51 0.04 -0.67 1.34 2.07 -0.70 -5.10 121.20 115.66 2pv4 s ILE 24 Ca -0.04 -0.36 -0.27 0.00 -1.41 0.00 0.00 60.65 58.56 2pv4 s ILE 24 Cb 0.05 -0.40 0.01 0.00 0.13 0.00 0.00 42.46 42.25 2pv4 s ILE 24 CO 0.44 -0.20 1.52 0.00 -1.91 0.00 0.00 174.94 174.79 2pv4 s ALA 25 N -0.73 2.53 0.29 1.50 0.00 -1.26 -3.94 121.76 120.15 2pv4 s ALA 25 Ca -0.08 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 2pv4 s ALA 25 Cb -0.05 -4.26 0.41 0.00 0.00 0.00 0.00 23.12 19.22 2pv4 s ALA 25 CO 0.01 -3.49 1.89 -0.07 0.00 0.00 0.00 175.76 174.10 2pv4 h LEU 26 N 14.35 0.87 0.00 0.00 3.38 -1.92 -1.54 115.31 130.45 2pv4 h LEU 26 Ca -0.27 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2pv4 h LEU 26 Cb 1.10 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2pv4 h LEU 26 CO 1.25 0.74 0.00 0.47 0.09 0.00 0.00 178.44 180.98 2pv4 n ASP 27 N -4.34 0.00 -0.50 -0.43 10.43 -1.26 -2.07 116.55 118.38 2pv4 n ASP 27 Ca 0.06 -0.68 0.08 0.00 2.57 0.00 0.00 54.79 56.82 2pv4 n ASP 27 Cb 0.13 -0.08 0.03 0.00 1.84 0.00 0.00 41.12 43.05 2pv4 n ASP 27 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2pv4 n ARG 28 N -1.08 1.51 -1.75 -1.24 1.74 -0.60 -5.02 116.66 110.23 2pv4 n ARG 28 Ca 0.19 -1.13 -0.35 0.00 -0.77 0.00 0.00 57.85 55.80 2pv4 n ARG 28 Cb 0.13 -1.29 0.06 0.00 -1.02 0.00 0.00 32.46 30.34 2pv4 n ARG 28 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2pv4 s LEU 29 N -1.69 3.50 0.23 0.55 1.43 -0.88 -4.92 118.68 116.89 2pv4 s LEU 29 Ca 0.16 2.34 -0.31 0.00 -1.03 0.00 0.00 54.13 55.29 2pv4 s LEU 29 Cb 0.13 -4.59 -0.14 0.00 0.03 0.00 0.00 46.19 41.62 2pv4 s LEU 29 CO 0.30 -1.87 1.22 -2.65 0.23 0.00 0.00 176.35 173.58 2pv4 n PRO 30 N -2.13 1.56 -0.31 1.29 -0.02 -1.26 -4.71 135.00 129.42 2pv4 n PRO 30 Ca 0.13 0.55 0.26 0.00 -2.02 0.00 0.00 63.50 62.42 2pv4 n PRO 30 Cb 0.50 -2.08 0.58 0.00 -0.02 0.00 0.00 33.50 32.48 2pv4 n PRO 30 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2pv4 h GLU 31 N 3.28 0.27 0.23 -0.52 9.09 -1.97 0.31 114.58 125.26 2pv4 h GLU 31 Ca -0.43 -0.02 -0.00 0.00 0.05 0.00 0.00 59.36 58.96 2pv4 h GLU 31 Cb 1.32 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 28.34 2pv4 h GLU 31 CO 0.69 0.18 -0.19 1.03 0.05 0.00 0.00 179.01 180.77 2pv4 h SER 32 N 0.27 -0.49 -0.07 3.06 0.87 -1.99 -0.90 113.55 114.30 2pv4 h SER 32 Ca 0.57 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 61.08 2pv4 h SER 32 Cb 1.69 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.80 2pv4 h SER 32 CO -0.21 -0.29 -0.26 -0.07 -0.53 0.00 0.00 176.83 175.48 2pv4 h LEU 33 N -0.43 0.51 -0.53 2.23 3.38 -0.76 -1.53 115.31 118.18 2pv4 h LEU 33 Ca -0.01 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 2pv4 h LEU 33 Cb 0.39 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2pv4 h LEU 33 CO -0.02 0.76 -0.22 0.25 0.09 0.00 0.00 178.44 179.30 2pv4 h LEU 34 N 0.45 0.99 -0.77 1.67 5.85 -1.22 -1.54 115.31 120.74 2pv4 h LEU 34 Ca 0.06 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 2pv4 h LEU 34 Cb 0.68 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2pv4 h LEU 34 CO 0.05 1.16 0.29 0.74 -0.34 0.00 0.00 178.44 180.34 2pv4 h THR 35 N 0.83 1.26 -0.59 1.05 2.02 -0.76 -1.01 112.91 115.71 2pv4 h THR 35 Ca 0.11 -0.84 -0.06 0.00 0.77 0.00 0.00 66.41 66.39 2pv4 h THR 35 Cb 0.79 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 2pv4 h THR 35 CO 0.07 0.34 0.12 0.00 0.37 0.00 0.00 175.52 176.41 2pv4 h ALA 36 N 1.15 1.09 -0.30 6.16 0.00 -1.08 -2.30 119.26 123.98 2pv4 h ALA 36 Ca 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2pv4 h ALA 36 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2pv4 h ALA 36 CO -0.02 0.60 0.12 -0.92 0.00 0.00 0.00 179.25 179.03 2pv4 h TYR 37 N 0.89 0.47 -0.71 0.00 3.20 -0.63 -2.25 116.97 117.94 2pv4 h TYR 37 Ca 0.19 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 2pv4 h TYR 37 Cb 0.36 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 2pv4 h TYR 37 CO 0.02 0.46 0.17 0.00 -1.64 0.00 0.00 178.16 177.17 2pv4 h ARG 38 N 0.34 1.15 -0.46 1.82 3.08 -1.03 -1.70 114.38 117.57 2pv4 h ARG 38 Ca 0.10 -0.28 -0.13 0.00 0.07 0.00 0.00 59.98 59.74 2pv4 h ARG 38 Cb 0.19 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2pv4 h ARG 38 CO -0.01 1.01 -0.22 0.77 -1.07 0.00 0.00 179.97 180.46 2pv4 h SER 39 N 1.08 0.99 -0.41 7.04 0.02 -1.38 -0.83 113.55 120.06 2pv4 h SER 39 Ca 0.22 -0.40 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 2pv4 h SER 39 Cb 0.38 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 2pv4 h SER 39 CO 0.00 1.17 0.09 0.25 -1.14 0.00 0.00 176.83 177.20 2pv4 h LEU 40 N 0.81 0.64 -0.52 5.07 5.85 -1.31 -1.57 115.31 124.28 2pv4 h LEU 40 Ca 0.10 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2pv4 h LEU 40 Cb 0.79 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2pv4 h LEU 40 CO 0.07 0.71 0.29 0.00 -0.34 0.00 0.00 178.44 179.17 2pv4 h ASP 42 N 0.69 0.64 -0.06 0.00 3.32 -1.04 0.72 116.42 120.68 2pv4 h ASP 42 Ca 0.18 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2pv4 h ASP 42 Cb 0.04 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 2pv4 h ASP 42 CO -0.03 0.44 -0.06 -0.08 -1.72 0.00 0.00 179.24 177.80 2pv4 h GLU 43 N 0.77 0.14 -0.04 3.56 4.57 -0.81 -1.02 114.58 121.74 2pv4 h GLU 43 Ca 0.25 -0.08 -0.08 0.00 -1.18 0.00 0.00 59.36 58.28 2pv4 h GLU 43 Cb 0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 2pv4 h GLU 43 CO -0.10 0.59 -0.32 -0.07 -1.18 0.00 0.00 179.01 177.92 2pv4 h LEU 44 N -0.29 0.08 -0.40 1.64 3.38 -0.76 -1.86 115.31 117.10 2pv4 h LEU 44 Ca 0.01 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2pv4 h LEU 44 Cb 0.56 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2pv4 h LEU 44 CO 0.01 0.41 0.02 -0.07 0.09 0.00 0.00 178.44 178.90 2pv4 h LEU 45 N 0.07 0.67 -1.35 1.67 3.38 -0.81 -2.93 115.31 116.02 2pv4 h LEU 45 Ca 0.01 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.73 2pv4 h LEU 45 Cb 0.61 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2pv4 h LEU 45 CO 0.04 0.80 0.47 0.00 0.09 0.00 0.00 178.44 179.84 2pv4 h ALA 46 N 0.90 1.61 -6.39 1.53 0.00 -0.70 -3.46 119.26 112.75 2pv4 h ALA 46 Ca 0.12 -0.03 -0.48 0.00 0.00 0.00 0.00 54.91 54.51 2pv4 h ALA 46 Cb 0.44 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2pv4 h ALA 46 CO 0.02 0.31 -0.82 -3.47 0.00 0.00 0.00 179.25 175.28 2pv4 n ASP 47 N -4.46 -2.45 -0.35 0.00 2.03 -0.74 -4.84 116.55 105.74 2pv4 n ASP 47 Ca 0.09 -0.89 0.03 0.00 0.52 0.00 0.00 54.79 54.54 2pv4 n ASP 47 Cb 0.14 -3.49 0.18 0.00 -0.72 0.00 0.00 41.12 37.23 2pv4 n ASP 47 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2pv4 h ARG 48 N -1.86 1.03 -0.03 -0.67 3.08 -1.89 0.14 114.38 114.17 2pv4 h ARG 48 Ca -0.60 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.38 2pv4 h ARG 48 Cb 1.37 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2pv4 h ARG 48 CO 0.65 0.68 0.00 -3.47 -1.07 0.00 0.00 179.97 176.76 2pv4 n ASP 49 N -4.58 0.70 -0.04 7.04 2.03 -1.26 -4.91 116.55 115.54 2pv4 n ASP 49 Ca 0.15 -1.32 -0.00 0.00 0.52 0.00 0.00 54.79 54.14 2pv4 n ASP 49 Cb 0.23 -0.01 -0.00 0.00 -0.72 0.00 0.00 41.12 40.62 2pv4 n ASP 49 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pv4 n GLY 50 N 1.04 0.36 0.06 0.27 0.00 0.04 -4.95 105.19 102.01 2pv4 n GLY 50 Ca 0.20 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 2pv4 n GLY 50 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pv4 h ARG 51 N 0.60 0.01 -0.21 1.61 9.65 -1.91 -1.97 114.38 122.16 2pv4 h ARG 51 Ca -0.01 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 2pv4 h ARG 51 Cb 0.37 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 2pv4 h ARG 51 CO 0.01 0.01 0.09 0.35 2.80 0.00 0.00 179.97 183.24 2pv4 h PHE 52 N 0.01 0.32 -0.60 2.20 3.57 -1.92 -2.67 116.94 117.85 2pv4 h PHE 52 Ca 0.03 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.64 2pv4 h PHE 52 Cb 0.05 -0.10 -0.10 0.00 2.79 0.00 0.00 35.95 38.59 2pv4 h PHE 52 CO -0.12 0.34 0.02 1.15 -2.23 0.00 0.00 178.31 177.47 2pv4 h THR 53 N 0.20 0.53 0.30 4.41 2.02 -1.90 0.47 112.91 118.94 2pv4 h THR 53 Ca 0.07 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.21 2pv4 h THR 53 Cb 0.15 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 2pv4 h THR 53 CO -0.01 0.03 -0.46 0.03 0.37 0.00 0.00 175.52 175.48 2pv4 h ARG 54 N 0.14 -0.78 -0.74 6.66 -0.00 -1.20 -0.73 114.38 117.74 2pv4 h ARG 54 Ca 0.31 0.05 0.10 0.00 -0.50 0.00 0.00 59.98 59.95 2pv4 h ARG 54 Cb 0.50 0.18 -0.07 0.00 0.00 0.00 0.00 29.97 30.57 2pv4 h ARG 54 CO -0.49 -0.52 0.37 0.00 0.00 0.00 0.00 179.97 179.32 2pv4 h ALA 55 N -0.49 1.03 -0.19 0.04 0.00 -1.12 -0.75 119.26 117.77 2pv4 h ALA 55 Ca -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2pv4 h ALA 55 Cb 0.76 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2pv4 h ALA 55 CO -0.16 -0.05 0.07 2.35 0.00 0.00 0.00 179.25 181.46 2pv4 h TRP 56 N 0.61 0.30 -0.66 0.00 2.91 -0.68 -2.62 115.95 115.82 2pv4 h TRP 56 Ca 0.37 -0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.34 2pv4 h TRP 56 Cb 0.41 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 28.94 2pv4 h TRP 56 CO -0.11 0.38 0.32 -0.44 -1.03 0.00 0.00 178.44 177.56 2pv4 h ASP 57 N 0.14 0.84 0.68 2.65 3.32 -0.74 -2.49 116.42 120.82 2pv4 h ASP 57 Ca 0.06 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2pv4 h ASP 57 Cb 0.21 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2pv4 h ASP 57 CO -0.00 0.71 0.00 0.00 -1.72 0.00 0.00 179.24 178.23 2pv4 n GLN 58 N -4.34 0.18 -2.07 3.56 6.02 -0.32 -4.86 117.38 115.54 2pv4 n GLN 58 Ca 0.06 0.42 -0.38 0.00 -0.01 0.00 0.00 57.00 57.09 2pv4 n GLN 58 Cb 0.13 -1.85 0.01 0.00 1.02 0.00 0.00 30.24 29.55 2pv4 n GLN 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2pv4 s LEU 59 N -4.37 4.01 0.58 1.08 1.43 -0.94 -5.00 118.68 115.46 2pv4 s LEU 59 Ca 0.04 2.52 -0.20 0.00 -1.03 0.00 0.00 54.13 55.45 2pv4 s LEU 59 Cb 0.09 -4.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.10 2pv4 s LEU 59 CO 0.37 -1.10 1.31 -2.16 0.23 0.00 0.00 176.35 175.00 2pv4 s PRO 60 N -2.66 2.96 0.51 1.29 0.04 -1.26 -4.77 135.00 131.10 2pv4 s PRO 60 Ca 0.65 2.11 0.23 0.00 0.04 0.00 0.00 61.00 64.02 2pv4 s PRO 60 Cb -0.34 -2.09 1.37 0.00 0.04 0.00 0.00 34.50 33.48 2pv4 s PRO 60 CO 0.42 -1.29 2.08 -0.44 0.04 0.00 0.00 177.00 177.81 2pv4 h ASP 61 N 1.12 0.00 -0.30 6.66 5.19 -1.97 0.23 116.42 127.35 2pv4 h ASP 61 Ca -0.51 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 55.91 2pv4 h ASP 61 Cb 1.31 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.80 2pv4 h ASP 61 CO 0.56 0.11 0.20 0.77 -3.12 0.00 0.00 179.24 177.76 2pv4 h SER 62 N 0.00 0.32 0.03 6.45 4.64 -1.99 -1.74 113.55 121.25 2pv4 h SER 62 Ca -0.00 -0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 2pv4 h SER 62 Cb 0.26 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 2pv4 h SER 62 CO 0.01 0.23 -1.10 0.00 -0.87 0.00 0.00 176.83 175.10 2pv4 h ALA 63 N 1.82 0.21 0.00 5.18 0.00 -1.37 -3.39 119.26 121.70 2pv4 h ALA 63 Ca 0.12 -1.07 -0.04 0.00 0.00 0.00 0.00 54.91 53.92 2pv4 h ALA 63 Cb 0.02 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2pv4 h ALA 63 CO -0.03 0.64 -0.17 0.66 0.00 0.00 0.00 179.25 180.35 2pv4 h SER 64 N -0.80 0.00 0.83 0.00 4.64 -1.09 -2.64 113.55 114.49 2pv4 h SER 64 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2pv4 h SER 64 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2pv4 h SER 64 CO -0.10 0.17 -0.03 -1.54 -0.87 0.00 0.00 176.83 174.46 2pv4 n SER 65 N -3.88 0.04 -0.09 4.97 3.41 -0.66 -3.76 113.62 113.65 2pv4 n SER 65 Ca -0.02 0.24 -0.11 0.00 -0.26 0.00 0.00 58.87 58.73 2pv4 n SER 65 Cb 0.26 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 2pv4 n SER 65 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2pv4 h LEU 66 N 0.02 0.45 -8.35 1.04 3.38 -1.66 -3.46 115.31 106.74 2pv4 h LEU 66 Ca 0.00 -0.27 -0.24 0.00 0.09 0.00 0.00 57.88 57.46 2pv4 h LEU 66 Cb 0.43 -0.12 -0.17 0.00 0.09 0.00 0.00 40.66 40.89 2pv4 h LEU 66 CO 0.00 0.61 -0.71 -0.36 0.09 0.00 0.00 178.44 178.07 2pv4 s PHE 67 N -5.15 0.82 0.56 1.13 0.08 -1.25 -5.13 117.98 109.04 2pv4 s PHE 67 Ca -0.13 -0.77 -0.20 0.00 0.12 0.00 0.00 56.93 55.94 2pv4 s PHE 67 Cb 0.08 -0.48 -0.04 0.00 -0.57 0.00 0.00 43.02 42.01 2pv4 s PHE 67 CO 0.75 -0.13 1.23 -1.21 -0.10 0.00 0.00 175.22 175.76 2pv4 s GLU 68 N -3.07 3.14 0.20 0.44 2.02 -1.26 -4.82 118.70 115.36 2pv4 s GLU 68 Ca 0.04 1.89 -0.12 0.00 0.02 0.00 0.00 54.97 56.80 2pv4 s GLU 68 Cb 0.00 -2.07 0.25 0.00 0.10 0.00 0.00 34.13 32.41 2pv4 s GLU 68 CO -0.03 -1.09 1.66 -0.09 0.02 0.00 0.00 175.26 175.73 2pv4 h ARG 69 N 1.19 0.08 0.00 1.61 2.43 -2.00 -0.90 114.38 116.79 2pv4 h ARG 69 Ca -0.50 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.58 2pv4 h ARG 69 Cb 1.29 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 2pv4 h ARG 69 CO 0.56 0.05 -0.40 0.00 -1.51 0.00 0.00 179.97 178.67 2pv4 h VAL 71 N 0.00 1.19 -0.90 0.00 2.07 -1.62 -0.63 116.25 116.35 2pv4 h VAL 71 Ca -0.00 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 2pv4 h VAL 71 Cb 0.75 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.31 2pv4 h VAL 71 CO 0.05 0.25 0.54 0.15 0.02 0.00 0.00 177.57 178.58 2pv4 h PHE 72 N -0.57 1.19 -0.17 1.57 3.57 -1.09 -1.61 116.94 119.84 2pv4 h PHE 72 Ca -0.01 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.54 2pv4 h PHE 72 Cb 0.48 -0.39 -0.06 0.00 2.79 0.00 0.00 35.95 38.77 2pv4 h PHE 72 CO 0.08 0.79 -0.20 1.25 -2.23 0.00 0.00 178.31 178.00 2pv4 h HIS 73 N 1.24 -0.51 -0.77 0.41 2.76 -0.81 -0.68 115.15 116.79 2pv4 h HIS 73 Ca 0.32 0.03 0.11 0.00 -2.20 0.00 0.00 60.37 58.63 2pv4 h HIS 73 Cb -0.05 0.25 -0.08 0.00 1.55 0.00 0.00 27.41 29.09 2pv4 h HIS 73 CO 0.00 -0.27 0.39 0.78 -1.30 0.00 0.00 177.93 177.53 2pv4 h GLY 74 N -0.23 1.18 0.99 5.26 0.00 -0.84 -0.15 103.07 109.29 2pv4 h GLY 74 Ca 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 2pv4 h GLY 74 CO -0.30 0.04 0.32 -2.75 0.00 0.00 0.00 176.54 173.84 2pv4 h PHE 75 N 0.63 0.70 -0.49 5.60 3.57 -0.79 -2.42 116.94 123.74 2pv4 h PHE 75 Ca 0.39 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.90 2pv4 h PHE 75 Cb 0.45 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 2pv4 h PHE 75 CO -0.10 0.49 0.31 -0.92 -2.23 0.00 0.00 178.31 175.85 2pv4 h TYR 76 N 0.71 0.58 -0.71 0.41 3.20 -0.58 -2.40 116.97 118.18 2pv4 h TYR 76 Ca 0.19 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.21 2pv4 h TYR 76 Cb -0.01 -0.19 -0.09 0.00 1.54 0.00 0.00 36.73 37.98 2pv4 h TYR 76 CO -0.02 0.34 0.24 -0.07 -1.64 0.00 0.00 178.16 177.01 2pv4 h LEU 77 N 0.62 0.18 -0.19 2.82 4.07 -0.59 0.12 115.31 122.33 2pv4 h LEU 77 Ca 0.19 0.11 -0.07 0.00 0.08 0.00 0.00 57.88 58.20 2pv4 h LEU 77 Cb -0.02 0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.83 2pv4 h LEU 77 CO -0.07 0.07 -0.14 0.00 -1.08 0.00 0.00 178.44 177.22 2pv4 h ALA 78 N 1.53 0.27 -0.56 1.53 0.00 -1.26 -1.63 119.26 119.14 2pv4 h ALA 78 Ca 0.38 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2pv4 h ALA 78 Cb 0.59 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2pv4 h ALA 78 CO -0.41 0.15 0.08 -0.91 0.00 0.00 0.00 179.25 178.16 2pv4 h ASN 79 N 0.11 0.86 -0.88 0.00 2.35 -1.09 -1.37 115.58 115.56 2pv4 h ASN 79 Ca 0.04 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2pv4 h ASN 79 Cb 0.65 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 2pv4 h ASN 79 CO 0.04 0.88 0.55 0.00 -1.65 0.00 0.00 177.43 177.24 2pv4 h ALA 80 N 1.23 1.12 -0.40 -0.83 0.00 -0.69 -0.81 119.26 118.88 2pv4 h ALA 80 Ca 0.18 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2pv4 h ALA 80 Cb 0.39 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2pv4 h ALA 80 CO 0.01 0.56 -0.21 2.35 0.00 0.00 0.00 179.25 181.96 2pv4 h TRP 81 N 1.21 0.98 -0.19 0.00 7.01 -0.95 0.52 115.95 124.53 2pv4 h TRP 81 Ca 0.32 -0.25 0.00 0.00 2.11 0.00 0.00 58.89 61.07 2pv4 h TRP 81 Cb -0.08 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 26.75 2pv4 h TRP 81 CO -0.00 1.02 0.12 0.82 -2.79 0.00 0.00 178.44 177.61 2pv4 h ILE 82 N 0.66 1.04 -0.16 2.65 2.04 -1.12 0.91 117.51 123.54 2pv4 h ILE 82 Ca 0.09 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2pv4 h ILE 82 Cb 0.77 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2pv4 h ILE 82 CO 0.06 0.05 0.09 -0.61 0.00 0.00 0.00 178.15 177.74 2pv4 h GLN 83 N 0.25 0.19 -0.43 2.37 4.15 -0.99 -2.50 115.11 118.16 2pv4 h GLN 83 Ca 0.07 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 2pv4 h GLN 83 Cb -0.03 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 2pv4 h GLN 83 CO -0.02 0.13 0.21 1.25 -1.93 0.00 0.00 178.83 178.46 2pv4 h LEU 84 N 0.20 0.56 -0.87 -2.39 5.85 -0.72 -2.70 115.31 115.23 2pv4 h LEU 84 Ca 0.06 -0.13 0.23 0.00 0.84 0.00 0.00 57.88 58.88 2pv4 h LEU 84 Cb -0.01 -0.14 -0.13 0.00 0.37 0.00 0.00 40.66 40.74 2pv4 h LEU 84 CO -0.02 0.53 0.28 0.28 -0.34 0.00 0.00 178.44 179.16 2pv4 h SER 85 N 0.55 0.10 0.06 1.25 0.02 -0.71 1.00 113.55 115.81 2pv4 h SER 85 Ca 0.15 0.18 -0.14 0.00 -0.84 0.00 0.00 61.79 61.14 2pv4 h SER 85 Cb 0.12 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2pv4 h SER 85 CO -0.02 -0.11 -0.47 0.40 -1.14 0.00 0.00 176.83 175.49 2pv4 h ILE 86 N 0.26 1.32 0.00 3.27 2.04 -1.13 -3.34 117.51 119.93 2pv4 h ILE 86 Ca 0.55 -1.68 -0.09 0.00 1.00 0.00 0.00 64.86 64.64 2pv4 h ILE 86 Cb 1.08 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 2pv4 h ILE 86 CO -0.61 0.52 -1.73 1.33 0.00 0.00 0.00 178.15 177.66 2pv4 n VAL 87 N -3.99 0.56 -1.97 1.67 0.24 -0.76 -5.00 118.33 109.07 2pv4 n VAL 87 Ca -0.02 -0.60 -0.29 0.00 -2.04 0.00 0.00 64.34 61.39 2pv4 n VAL 87 Cb 0.55 -0.28 0.06 0.00 -1.47 0.00 0.00 33.84 32.70 2pv4 n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pv4 s ALA 88 N -3.22 2.89 0.44 2.33 0.00 0.27 -5.10 121.76 119.37 2pv4 s ALA 88 Ca -0.06 -0.51 0.08 0.00 0.00 0.00 0.00 51.96 51.47 2pv4 s ALA 88 Cb 0.11 -2.93 -0.01 0.00 0.00 0.00 0.00 23.12 20.29 2pv4 s ALA 88 CO 0.85 -1.26 0.41 1.03 0.00 0.00 0.00 175.76 176.80 2pv4 s ARG 89 N -5.37 2.52 0.12 0.00 1.81 -1.26 -4.97 118.95 111.80 2pv4 s ARG 89 Ca 0.59 -1.56 -0.31 0.00 -1.72 0.00 0.00 55.73 52.72 2pv4 s ARG 89 Cb -0.11 -2.39 -0.09 0.00 -0.45 0.00 0.00 34.95 31.91 2pv4 s ARG 89 CO 0.50 -0.27 1.63 0.34 -0.68 0.00 0.00 175.30 176.82 2pv4 s ASP 90 N -4.18 6.58 0.55 0.23 -1.08 -1.26 -4.90 116.67 112.61 2pv4 s ASP 90 Ca 0.48 2.57 0.23 0.00 -0.52 0.00 0.00 52.55 55.32 2pv4 s ASP 90 Cb -0.04 -2.58 1.52 0.00 -1.46 0.00 0.00 42.92 40.37 2pv4 s ASP 90 CO 0.28 -0.87 2.17 0.16 0.52 0.00 0.00 175.17 177.43 2pv4 h ILE 91 N 4.41 0.74 -0.66 4.11 -2.65 -1.99 -1.11 117.51 120.37 2pv4 h ILE 91 Ca -0.43 0.00 -0.07 0.00 1.03 0.00 0.00 64.86 65.40 2pv4 h ILE 91 Cb 1.20 0.96 -0.03 0.00 -2.05 0.00 0.00 36.82 36.90 2pv4 h ILE 91 CO 0.92 0.00 0.16 0.77 0.03 0.00 0.00 178.15 180.03 2pv4 h SER 92 N 0.00 1.00 -0.26 2.16 4.64 -2.00 -1.60 113.55 117.50 2pv4 h SER 92 Ca 0.03 -0.24 -0.10 0.00 -0.47 0.00 0.00 61.79 61.02 2pv4 h SER 92 Cb 0.15 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2pv4 h SER 92 CO -0.00 0.98 -0.23 -0.33 -0.87 0.00 0.00 176.83 176.38 2pv4 h GLU 93 N 0.98 0.61 -0.58 4.77 5.08 -1.69 -2.54 114.58 121.21 2pv4 h GLU 93 Ca 0.21 -0.31 0.12 0.00 -1.00 0.00 0.00 59.36 58.37 2pv4 h GLU 93 Cb 0.37 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.53 2pv4 h GLU 93 CO 0.00 0.90 0.03 -0.07 -1.00 0.00 0.00 179.01 178.88 2pv4 h LEU 94 N 0.33 -0.18 -0.68 1.33 3.38 -1.14 -2.14 115.31 116.21 2pv4 h LEU 94 Ca 0.04 0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2pv4 h LEU 94 Cb 0.78 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 2pv4 h LEU 94 CO 0.06 -0.07 0.21 1.56 0.09 0.00 0.00 178.44 180.29 2pv4 h GLN 95 N 0.15 1.05 -0.96 1.13 4.20 -1.31 -3.02 115.11 116.36 2pv4 h GLN 95 Ca 0.30 -0.23 0.16 0.00 0.06 0.00 0.00 58.65 58.95 2pv4 h GLN 95 Cb 0.47 -0.15 -0.08 0.00 0.30 0.00 0.00 27.48 28.01 2pv4 h GLN 95 CO -0.46 0.91 0.60 0.22 -0.67 0.00 0.00 178.83 179.43 2pv4 h ASP 96 N 0.99 0.72 -0.22 1.46 3.58 -0.94 -2.28 116.42 119.73 2pv4 h ASP 96 Ca 0.22 0.06 -0.11 0.00 0.42 0.00 0.00 57.03 57.62 2pv4 h ASP 96 Cb 0.30 -0.08 -0.06 0.00 1.72 0.00 0.00 39.33 41.21 2pv4 h ASP 96 CO -0.01 0.32 -0.22 0.35 -2.88 0.00 0.00 179.24 176.81 2pv4 n THR 97 N -4.63 2.41 1.23 2.25 -2.24 -1.18 -4.72 114.28 107.40 2pv4 n THR 97 Ca 0.20 -2.88 0.12 0.00 -2.27 0.00 0.00 64.05 59.22 2pv4 n THR 97 Cb 0.51 -0.29 0.65 0.00 -2.10 0.00 0.00 70.33 69.10 2pv4 n THR 97 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2pv4 n ASP 98 N -1.11 0.00 -0.05 3.42 5.75 -0.86 -1.51 116.55 122.18 2pv4 n ASP 98 Ca 0.28 -0.14 -0.12 0.00 -0.01 0.00 0.00 54.79 54.80 2pv4 n ASP 98 Cb 0.90 -0.26 -0.06 0.00 -1.03 0.00 0.00 41.12 40.67 2pv4 n ASP 98 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2pv4 h GLU 99 N 0.00 0.29 0.06 0.11 4.39 -1.84 -3.02 114.58 114.56 2pv4 h GLU 99 Ca 0.00 -0.10 -0.28 0.00 0.34 0.00 0.00 59.36 59.32 2pv4 h GLU 99 Cb 0.22 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 2pv4 h GLU 99 CO 0.00 0.55 -1.45 0.00 -1.16 0.00 0.00 179.01 176.95 2pv4 h ALA 100 N 0.74 0.42 -3.31 3.43 0.00 -1.72 -3.42 119.26 115.40 2pv4 h ALA 100 Ca 0.04 -1.16 -0.56 0.00 0.00 0.00 0.00 54.91 53.23 2pv4 h ALA 100 Cb 0.43 0.23 -0.40 0.00 0.00 0.00 0.00 17.79 18.05 2pv4 h ALA 100 CO 0.01 1.29 -0.77 0.42 0.00 0.00 0.00 179.25 180.20 2pv4 s ILE 101 N -2.63 0.87 0.62 0.00 1.01 -0.57 -5.15 121.20 115.35 2pv4 s ILE 101 Ca -0.06 -1.01 -0.17 0.00 0.00 0.00 0.00 60.65 59.41 2pv4 s ILE 101 Cb 0.08 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 2pv4 s ILE 101 CO 0.84 -0.36 1.13 0.00 0.00 0.00 0.00 174.94 176.54 2pv4 s ALA 102 N 1.67 2.54 0.22 9.38 0.00 -1.14 -3.94 121.76 130.49 2pv4 s ALA 102 Ca 0.02 0.69 -0.09 0.00 0.00 0.00 0.00 51.96 52.58 2pv4 s ALA 102 Cb -0.18 -3.35 0.25 0.00 0.00 0.00 0.00 23.12 19.85 2pv4 s ALA 102 CO -0.14 -1.11 1.82 1.49 0.00 0.00 0.00 175.76 177.82 2pv4 h GLU 103 N 0.49 0.72 -0.93 0.00 4.22 -1.92 -1.55 114.58 115.62 2pv4 h GLU 103 Ca -0.48 -0.04 0.16 0.00 0.08 0.00 0.00 59.36 59.07 2pv4 h GLU 103 Cb 1.26 -0.16 -0.10 0.00 0.50 0.00 0.00 28.75 30.25 2pv4 h GLU 103 CO 0.55 0.48 0.53 0.37 -2.18 0.00 0.00 179.01 178.76 2pv4 h GLN 104 N 0.74 0.71 0.12 1.92 4.15 -1.97 -0.64 115.11 120.16 2pv4 h GLN 104 Ca 0.31 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 2pv4 h GLN 104 Cb 0.18 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.71 2pv4 h GLN 104 CO -0.18 0.47 -0.06 0.93 -1.93 0.00 0.00 178.83 178.07 2pv4 h GLU 105 N 0.73 -0.16 0.00 1.69 4.39 -1.69 -2.57 114.58 116.98 2pv4 h GLU 105 Ca 0.51 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.19 2pv4 h GLU 105 Cb 0.71 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2pv4 h GLU 105 CO -0.35 0.12 -0.14 0.10 -1.16 0.00 0.00 179.01 177.57 2pv4 h TYR 106 N -1.00 0.00 -0.12 4.33 -0.00 -1.32 -2.25 116.97 116.61 2pv4 h TYR 106 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.54 2pv4 h TYR 106 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.08 2pv4 h TYR 106 CO 0.06 0.14 -0.64 0.66 -0.00 0.00 0.00 178.16 178.39 2pv4 h SER 107 N 0.00 0.52 -0.40 0.10 4.64 -1.19 -1.90 113.55 115.31 2pv4 h SER 107 Ca -0.00 -0.30 0.05 0.00 -0.47 0.00 0.00 61.79 61.06 2pv4 h SER 107 Cb 0.26 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.16 2pv4 h SER 107 CO 0.02 1.02 0.15 1.23 -0.87 0.00 0.00 176.83 178.38 2pv4 h GLY 108 N 1.20 0.53 1.02 -0.77 0.00 -0.99 -2.24 103.07 101.80 2pv4 h GLY 108 Ca -0.01 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.23 2pv4 h GLY 108 CO 0.11 0.03 0.64 -2.00 0.00 0.00 0.00 176.54 175.33 2pv4 h LEU 109 N 0.32 1.15 -0.41 3.11 5.85 -1.30 -2.36 115.31 121.68 2pv4 h LEU 109 Ca 0.19 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 2pv4 h LEU 109 Cb 0.16 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2pv4 h LEU 109 CO -0.18 0.85 -0.03 1.88 -0.34 0.00 0.00 178.44 180.62 2pv4 h TYR 110 N 1.35 0.82 -0.47 1.25 -1.99 -1.07 -0.47 116.97 116.38 2pv4 h TYR 110 Ca 0.36 -0.15 0.03 0.00 2.00 0.00 0.00 58.73 60.97 2pv4 h TYR 110 Cb -0.13 -0.21 -0.04 0.00 2.00 0.00 0.00 36.73 38.36 2pv4 h TYR 110 CO 0.00 0.83 0.25 0.28 -0.00 0.00 0.00 178.16 179.52 2pv4 h VAL 111 N 0.57 0.99 -0.67 -2.88 2.07 -1.23 -0.41 116.25 114.70 2pv4 h VAL 111 Ca 0.11 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.47 2pv4 h VAL 111 Cb 0.52 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2pv4 h VAL 111 CO 0.03 0.09 0.44 0.03 0.02 0.00 0.00 177.57 178.18 2pv4 h ARG 112 N 0.50 0.88 -0.47 1.57 2.47 -1.15 -0.67 114.38 117.50 2pv4 h ARG 112 Ca 0.20 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.83 2pv4 h ARG 112 Cb 0.08 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.18 2pv4 h ARG 112 CO -0.12 0.58 0.15 0.28 0.56 0.00 0.00 179.97 181.42 2pv4 h VAL 113 N 0.90 1.23 -0.20 2.04 2.07 -0.70 -2.84 116.25 118.74 2pv4 h VAL 113 Ca 0.24 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 67.04 2pv4 h VAL 113 Cb -0.10 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2pv4 h VAL 113 CO -0.05 0.27 0.01 0.00 0.02 0.00 0.00 177.57 177.82 2pv4 h ALA 114 N 1.00 0.18 -0.74 1.67 0.00 -0.90 -2.55 119.26 117.93 2pv4 h ALA 114 Ca 0.15 0.05 0.22 0.00 0.00 0.00 0.00 54.91 55.33 2pv4 h ALA 114 Cb 0.27 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2pv4 h ALA 114 CO -0.00 -0.42 0.54 0.93 0.00 0.00 0.00 179.25 180.29 2pv4 h GLU 115 N 0.07 0.00 0.00 0.00 5.08 -0.93 0.81 114.58 119.62 2pv4 h GLU 115 Ca 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2pv4 h GLU 115 Cb 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2pv4 h GLU 115 CO -0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 179.01 177.86 2pv4 h ALA 116 N 1.61 1.10 0.00 3.43 0.00 -1.22 -1.29 119.26 122.88 2pv4 h ALA 116 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2pv4 h ALA 116 Cb 1.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2pv4 h ALA 116 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2pv4 n ALA 117 N -2.13 1.60 -0.28 0.00 0.00 0.28 -3.07 120.51 116.91 2pv4 n ALA 117 Ca -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 2pv4 n ALA 117 Cb 0.08 -1.32 0.16 0.00 0.00 0.00 0.00 19.45 18.37 2pv4 n ALA 117 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2pv4 h LEU 118 N 0.00 1.00 -0.30 0.00 5.85 -1.41 -2.00 115.31 118.45 2pv4 h LEU 118 Ca 0.00 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 2pv4 h LEU 118 Cb 0.29 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2pv4 h LEU 118 CO 0.00 0.77 0.18 0.50 -0.34 0.00 0.00 178.44 179.55 2pv4 h LYS 119 N 1.15 0.42 -0.19 1.25 3.64 -1.76 0.18 116.57 121.27 2pv4 h LYS 119 Ca 0.30 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.48 2pv4 h LYS 119 Cb -0.04 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2pv4 h LYS 119 CO -0.06 0.34 -0.54 1.49 -2.27 0.00 0.00 179.45 178.41 2pv4 h GLU 120 N 0.38 0.56 -0.67 1.90 4.57 -1.72 -1.56 114.58 118.05 2pv4 h GLU 120 Ca 0.11 -0.35 -0.01 0.00 -1.18 0.00 0.00 59.36 57.93 2pv4 h GLU 120 Cb 0.03 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 2pv4 h GLU 120 CO -0.02 0.96 0.39 0.77 -1.18 0.00 0.00 179.01 179.93 2pv4 h SER 121 N 0.43 0.81 -0.76 1.04 0.02 -0.98 -1.71 113.55 112.39 2pv4 h SER 121 Ca 0.01 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 2pv4 h SER 121 Cb 1.09 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.38 2pv4 h SER 121 CO 0.10 0.65 0.46 0.58 -1.14 0.00 0.00 176.83 177.48 2pv4 h VAL 122 N 0.91 1.22 -0.46 2.27 2.07 -0.83 -1.75 116.25 119.66 2pv4 h VAL 122 Ca 0.24 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.29 2pv4 h VAL 122 Cb -0.00 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.90 2pv4 h VAL 122 CO -0.04 0.23 0.27 0.11 0.02 0.00 0.00 177.57 178.16 2pv4 h LYS 123 N 1.05 0.53 -0.34 1.57 1.57 -0.93 -0.63 116.57 119.40 2pv4 h LYS 123 Ca 0.27 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2pv4 h LYS 123 Cb -0.03 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 2pv4 h LYS 123 CO -0.05 0.35 0.22 0.87 -0.57 0.00 0.00 179.45 180.27 2pv4 h LYS 124 N 0.55 0.44 -0.93 3.15 1.57 -1.18 -1.54 116.57 118.64 2pv4 h LYS 124 Ca 0.19 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2pv4 h LYS 124 Cb 0.02 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.18 2pv4 h LYS 124 CO -0.09 0.29 0.61 1.25 -0.57 0.00 0.00 179.45 180.95 2pv4 h LEU 125 N 0.45 1.06 -0.42 2.94 5.85 -0.93 -1.32 115.31 122.95 2pv4 h LEU 125 Ca 0.12 -0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.65 2pv4 h LEU 125 Cb -0.05 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.72 2pv4 h LEU 125 CO -0.03 0.76 -0.55 0.11 -0.34 0.00 0.00 178.44 178.39 2pv4 h LYS 126 N 1.25 0.71 -0.52 1.25 1.57 -0.88 -2.91 116.57 117.04 2pv4 h LYS 126 Ca 0.34 -0.45 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 2pv4 h LYS 126 Cb -0.13 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2pv4 h LYS 126 CO -0.08 1.07 0.21 0.87 -0.57 0.00 0.00 179.45 180.95 2pv4 h LYS 127 N 0.54 0.75 -0.02 3.15 1.57 -0.92 -2.84 116.57 118.80 2pv4 h LYS 127 Ca 0.01 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2pv4 h LYS 127 Cb 1.12 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 2pv4 h LYS 127 CO 0.11 0.62 0.03 0.00 -0.57 0.00 0.00 179.45 179.64 2pv4 h ALA 128 N 1.49 1.46 -0.35 3.86 0.00 -1.05 -0.88 119.26 123.80 2pv4 h ALA 128 Ca 0.18 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.14 2pv4 h ALA 128 Cb 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2pv4 h ALA 128 CO -0.02 -0.04 0.24 0.00 0.00 0.00 0.00 179.25 179.42 2pv4 h ARG 129 N 0.00 0.24 0.00 0.00 3.08 -1.45 -3.30 114.38 112.95 2pv4 h ARG 129 Ca 0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pv4 h ARG 129 Cb 0.07 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2pv4 h ARG 129 CO -0.00 0.16 -0.50 0.25 -1.07 0.00 0.00 179.97 178.81 2pv4 n THR 130 N -4.48 0.00 -3.77 2.04 -2.24 -0.84 -4.99 114.28 100.00 2pv4 n THR 130 Ca 0.04 -0.21 -0.37 0.00 -2.27 0.00 0.00 64.05 61.24 2pv4 n THR 130 Cb 0.24 0.70 -0.12 0.00 -2.10 0.00 0.00 70.33 69.05 2pv4 n THR 130 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2pv4 s ASP 131 N -1.42 5.25 0.46 3.42 -1.08 -0.39 -4.98 116.67 117.93 2pv4 s ASP 131 Ca 0.00 -1.55 0.25 0.00 -0.52 0.00 0.00 52.55 50.74 2pv4 s ASP 131 Cb 0.00 -1.84 1.06 0.00 -1.46 0.00 0.00 42.92 40.68 2pv4 s ASP 131 CO 0.00 -0.42 1.89 0.08 0.52 0.00 0.00 175.17 177.23 2pv4 h ARG 132 N 8.14 0.00 -0.19 4.34 0.11 -1.88 -1.09 114.38 123.81 2pv4 h ARG 132 Ca -0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.89 2pv4 h ARG 132 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 2pv4 h ARG 132 CO 0.65 0.19 0.00 0.43 0.10 0.00 0.00 179.97 181.34 2pv4 n SER 133 N -3.42 0.19 0.00 0.08 7.64 -1.26 -0.16 113.62 116.68 2pv4 n SER 133 Ca -0.00 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.47 2pv4 n SER 133 Cb 0.38 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2pv4 n SER 133 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pv4 n TYR 135 N 0.33 0.00 -0.36 1.43 9.36 -0.41 -0.90 117.16 126.61 2pv4 n TYR 135 Ca 0.00 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.19 2pv4 n TYR 135 Cb 0.05 0.00 0.10 0.00 -0.63 0.00 0.00 39.34 38.86 2pv4 n TYR 135 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 2pv4 h ASN 136 N 0.00 1.14 0.00 2.98 2.35 -0.81 -0.95 115.58 120.29 2pv4 h ASN 136 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2pv4 h ASN 136 Cb 0.00 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.08 2pv4 h ASN 136 CO 0.00 0.87 0.00 -0.24 -1.65 0.00 0.00 177.43 176.41 2pv4 n SER 137 N -4.36 0.87 0.00 5.81 2.88 -0.08 -0.98 113.62 117.76 2pv4 n SER 137 Ca 0.11 -0.87 0.00 0.00 -1.33 0.00 0.00 58.87 56.78 2pv4 n SER 137 Cb 0.05 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 2pv4 n SER 137 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2pv4 n ARG 139 N 0.54 0.00 0.19 -1.46 1.74 -0.36 -1.33 116.66 115.97 2pv4 n ARG 139 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 2pv4 n ARG 139 Cb 0.16 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.52 2pv4 n ARG 139 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2pv4 h GLU 140 N 0.00 -0.41 -1.90 5.56 4.57 -1.31 -2.32 114.58 118.78 2pv4 h GLU 140 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2pv4 h GLU 140 Cb 0.00 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2pv4 h GLU 140 CO 0.00 -0.26 0.00 1.33 -1.18 0.00 0.00 179.01 178.90 2pv4 n VAL 141 N -5.26 0.63 -1.49 0.32 0.24 -0.44 -4.66 118.33 107.66 2pv4 n VAL 141 Ca -0.10 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2pv4 n VAL 141 Cb 0.19 -1.04 0.00 0.00 -1.47 0.00 0.00 33.84 31.52 2pv4 n VAL 141 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pv4 n GLY 143 N 1.54 0.62 0.86 7.63 0.00 -0.90 -2.86 105.19 112.09 2pv4 n GLY 143 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2pv4 n GLY 143 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61