#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pru h GLU 2 N 0.00 0.00 -0.39 1.43 4.57 -2.06 -3.27 114.58 114.86 2pru h GLU 2 Ca 0.00 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.04 2pru h GLU 2 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2pru h GLU 2 CO 0.00 0.60 -0.29 1.25 -1.18 0.00 0.00 179.01 179.39 2pru h LEU 3 N 0.00 0.93 -0.66 1.64 7.12 -2.05 -1.95 115.31 120.34 2pru h LEU 3 Ca -0.14 -0.44 0.06 0.00 0.13 0.00 0.00 57.88 57.49 2pru h LEU 3 Cb 1.77 -0.26 -0.06 0.00 -0.53 0.00 0.00 40.66 41.58 2pru h LEU 3 CO 0.09 1.17 0.37 1.05 -0.13 0.00 0.00 178.44 180.98 2pru h GLU 4 N 0.70 0.65 -0.38 1.25 4.11 -2.00 -0.46 114.58 118.45 2pru h GLU 4 Ca 0.08 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 2pru h GLU 4 Cb 0.87 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2pru h GLU 4 CO 0.08 0.43 0.22 0.87 0.07 0.00 0.00 179.01 180.68 2pru h LYS 5 N 0.67 0.53 -0.48 1.06 1.57 -1.58 -1.03 116.57 117.32 2pru h LYS 5 Ca 0.30 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2pru h LYS 5 Cb 0.19 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2pru h LYS 5 CO -0.18 0.42 0.29 0.00 -0.57 0.00 0.00 179.45 179.41 2pru h ALA 6 N 1.08 0.61 -0.45 3.86 0.00 -0.56 0.15 119.26 123.94 2pru h ALA 6 Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2pru h ALA 6 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2pru h ALA 6 CO -0.02 0.09 0.07 1.98 0.00 0.00 0.00 179.25 181.37 2pru h MET 7 N 0.64 0.75 -0.44 0.00 1.85 -0.92 -2.09 114.93 114.71 2pru h MET 7 Ca 0.17 -0.20 -0.00 0.00 -0.61 0.00 0.00 59.70 59.06 2pru h MET 7 Cb -0.01 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 31.91 2pru h MET 7 CO -0.03 0.77 0.27 0.28 -0.40 0.00 0.00 176.91 177.80 2pru h VAL 8 N 0.61 1.14 0.07 -5.77 2.07 -0.86 -2.54 116.25 110.96 2pru h VAL 8 Ca 0.14 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.35 2pru h VAL 8 Cb 0.39 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2pru h VAL 8 CO 0.01 0.14 -0.13 0.00 0.02 0.00 0.00 177.57 177.61 2pru h ALA 9 N 1.12 -0.21 -0.35 1.67 0.00 -0.47 0.47 119.26 121.50 2pru h ALA 9 Ca 0.16 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2pru h ALA 9 Cb -0.01 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2pru h ALA 9 CO -0.03 -0.65 0.10 -0.07 0.00 0.00 0.00 179.25 178.60 2pru h LEU 10 N -0.26 0.08 -0.20 0.00 3.38 -1.28 0.18 115.31 117.21 2pru h LEU 10 Ca 0.03 0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 2pru h LEU 10 Cb 0.28 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2pru h LEU 10 CO -0.08 0.08 -0.52 0.40 0.09 0.00 0.00 178.44 178.41 2pru h ILE 11 N 0.24 1.31 0.00 1.22 2.04 -1.23 -3.25 117.51 117.84 2pru h ILE 11 Ca 0.16 -1.75 -0.09 0.00 1.00 0.00 0.00 64.86 64.18 2pru h ILE 11 Cb 0.16 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2pru h ILE 11 CO -0.18 0.55 -0.45 -0.78 0.00 0.00 0.00 178.15 177.29 2pru h ASP 12 N 0.40 0.00 -0.30 1.72 3.58 0.28 -2.14 116.42 119.96 2pru h ASP 12 Ca -0.01 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.36 2pru h ASP 12 Cb 1.13 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.17 2pru h ASP 12 CO 0.11 0.45 -0.10 0.58 -2.88 0.00 0.00 179.24 177.40 2pru h VAL 13 N 0.00 1.25 0.00 2.25 2.07 -0.72 -0.09 116.25 121.02 2pru h VAL 13 Ca -0.00 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 2pru h VAL 13 Cb 1.19 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2pru h VAL 13 CO 0.06 0.38 -0.23 -0.26 0.02 0.00 0.00 177.57 177.54 2pru h PHE 14 N 0.64 0.00 -0.60 1.57 0.04 -1.52 -2.58 116.94 114.50 2pru h PHE 14 Ca 0.11 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.80 2pru h PHE 14 Cb 0.54 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 2pru h PHE 14 CO 0.03 0.23 0.04 1.25 -0.60 0.00 0.00 178.31 179.25 2pru h HIS 15 N 0.00 1.12 0.00 -0.55 -0.00 -0.61 -2.47 115.15 112.63 2pru h HIS 15 Ca -0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 60.37 60.19 2pru h HIS 15 Cb 0.78 -0.30 0.00 0.00 -0.00 0.00 0.00 27.41 27.90 2pru h HIS 15 CO 0.00 0.98 0.00 1.96 -0.00 0.00 0.00 177.93 180.87 2pru h GLN 16 N 0.93 0.00 -6.86 5.26 4.20 -0.66 -3.42 115.11 114.56 2pru h GLN 16 Ca 0.18 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.41 2pru h GLN 16 Cb 0.50 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 2pru h GLN 16 CO 0.02 0.00 0.27 0.71 -0.67 0.00 0.00 178.83 179.16 2pru s TYR 17 N -3.40 3.54 -2.12 2.96 1.51 -0.93 -4.96 117.35 113.95 2pru s TYR 17 Ca 0.03 1.60 0.15 0.00 -1.01 0.00 0.00 57.07 57.83 2pru s TYR 17 Cb 0.09 -2.80 0.56 0.00 -0.11 0.00 0.00 41.96 39.70 2pru s TYR 17 CO 0.38 0.13 1.41 0.43 -1.11 0.00 0.00 175.55 176.79 2pru n SER 18 N 0.13 1.42 -2.73 2.29 7.64 -1.26 -4.18 113.62 116.93 2pru n SER 18 Ca 0.03 -1.81 -0.33 0.00 1.01 0.00 0.00 58.87 57.77 2pru n SER 18 Cb 0.52 -0.13 0.02 0.00 -1.01 0.00 0.00 64.21 63.60 2pru n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pru n GLY 19 N 1.01 5.78 0.18 0.23 0.00 -1.26 -3.83 105.19 107.30 2pru n GLY 19 Ca 0.13 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.52 2pru n GLY 19 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2pru n ARG 20 N -0.49 0.00 0.05 1.61 0.00 -1.26 -4.14 116.66 112.43 2pru n ARG 20 Ca 0.46 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 58.09 2pru n ARG 20 Cb 0.44 -0.86 -0.14 0.00 -0.00 0.00 0.00 32.46 31.90 2pru n ARG 20 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 2pru h GLU 21 N 0.00 0.33 0.00 2.89 4.22 -1.90 -2.22 114.58 117.90 2pru h GLU 21 Ca 0.00 -0.56 -0.07 0.00 0.08 0.00 0.00 59.36 58.82 2pru h GLU 21 Cb 0.88 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2pru h GLU 21 CO 0.00 1.24 -0.32 0.78 -2.18 0.00 0.00 179.01 178.53 2pru h GLY 22 N 1.00 0.00 0.00 1.92 0.00 -1.86 -3.44 103.07 100.69 2pru h GLY 22 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2pru h GLY 22 CO 0.14 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.02 2pru n ASP 23 N -4.06 0.02 -1.03 0.19 -0.08 -1.25 -4.96 116.55 105.38 2pru n ASP 23 Ca -0.02 -0.58 -0.02 0.00 -1.51 0.00 0.00 54.79 52.67 2pru n ASP 23 Cb 0.37 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.85 2pru n ASP 23 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2pru n LYS 24 N -0.57 1.14 -0.97 -0.67 4.81 -1.26 -4.65 118.16 115.99 2pru n LYS 24 Ca 0.00 -0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.18 2pru n LYS 24 Cb 0.00 -1.18 0.00 0.00 0.02 0.00 0.00 35.03 33.87 2pru n LYS 24 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2pru n HIS 25 N 0.31 0.00 -4.48 5.64 8.25 -0.83 -4.98 115.22 119.13 2pru n HIS 25 Ca 0.05 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.28 2pru n HIS 25 Cb 0.56 -0.79 -0.11 0.00 1.12 0.00 0.00 29.99 30.77 2pru n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2pru s LYS 26 N -0.76 1.70 -0.01 -0.41 -0.14 -1.26 -4.90 119.74 113.96 2pru s LYS 26 Ca 0.00 -1.93 0.11 0.00 -1.36 0.00 0.00 55.97 52.79 2pru s LYS 26 Cb 0.00 -1.08 -0.16 0.00 -1.68 0.00 0.00 37.83 34.91 2pru s LYS 26 CO 0.00 -0.12 0.30 1.28 -0.76 0.00 0.00 175.35 176.05 2pru n LEU 27 N -0.73 0.14 -0.57 3.17 7.99 -1.20 -4.56 117.00 121.25 2pru n LEU 27 Ca -0.03 -0.14 0.00 0.00 -0.01 0.00 0.00 56.01 55.83 2pru n LEU 27 Cb 0.66 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.97 2pru n LEU 27 CO 0.43 0.03 -0.15 0.29 -1.51 0.00 0.00 177.39 176.49 2pru n LYS 28 N -1.71 -1.59 0.28 3.23 4.01 -1.25 -4.30 118.16 116.83 2pru n LYS 28 Ca -0.01 1.16 0.14 0.00 -0.51 0.00 0.00 58.31 59.09 2pru n LYS 28 Cb 0.25 -1.28 0.81 0.00 -0.51 0.00 0.00 35.03 34.30 2pru n LYS 28 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 2pru h LYS 29 N 0.84 0.00 -0.87 1.97 1.57 -1.24 -1.04 116.57 117.80 2pru h LYS 29 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 2pru h LYS 29 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 2pru h LYS 29 CO 0.00 0.08 0.53 1.03 -0.57 0.00 0.00 179.45 180.52 2pru h SER 30 N 0.00 0.81 1.46 0.86 0.87 -1.66 -1.26 113.55 114.63 2pru h SER 30 Ca -0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2pru h SER 30 Cb 0.24 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2pru h SER 30 CO 0.01 0.50 0.00 -0.33 -0.53 0.00 0.00 176.83 176.48 2pru h GLU 31 N 0.94 0.00 0.00 2.24 4.39 -1.37 -1.33 114.58 119.44 2pru h GLU 31 Ca 0.40 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.08 2pru h GLU 31 Cb 0.25 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2pru h GLU 31 CO -0.20 0.00 -0.06 1.25 -1.16 0.00 0.00 179.01 178.84 2pru h LEU 32 N 0.00 0.00 -1.78 1.33 7.12 -1.18 -0.60 115.31 120.21 2pru h LEU 32 Ca 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 2pru h LEU 32 Cb 0.73 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.85 2pru h LEU 32 CO 0.00 0.06 0.02 0.50 -0.13 0.00 0.00 178.44 178.89 2pru h LYS 33 N 0.00 0.15 0.08 1.25 3.11 -1.19 0.49 116.57 120.47 2pru h LYS 33 Ca -0.00 -0.02 -0.25 0.00 -2.81 0.00 0.00 60.65 57.58 2pru h LYS 33 Cb 0.14 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.33 2pru h LYS 33 CO 0.01 0.16 -1.13 0.93 -2.81 0.00 0.00 179.45 176.60 2pru h GLU 34 N 0.16 0.18 0.37 1.90 4.39 -1.26 -2.92 114.58 117.39 2pru h GLU 34 Ca 0.04 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.43 2pru h GLU 34 Cb 0.08 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2pru h GLU 34 CO -0.00 1.13 -0.18 1.25 -1.16 0.00 0.00 179.01 180.05 2pru h LEU 35 N 0.05 -0.42 -1.28 1.33 7.12 -0.88 -3.08 115.31 118.16 2pru h LEU 35 Ca -0.09 -0.08 -0.04 0.00 0.13 0.00 0.00 57.88 57.80 2pru h LEU 35 Cb 1.87 0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 42.09 2pru h LEU 35 CO 0.17 -0.16 0.06 0.16 -0.13 0.00 0.00 178.44 178.54 2pru h ILE 36 N -0.67 1.18 -0.04 4.05 3.07 -1.03 0.19 117.51 124.26 2pru h ILE 36 Ca -0.05 -0.68 -0.01 0.00 1.55 0.00 0.00 64.86 65.68 2pru h ILE 36 Cb 0.48 0.84 -0.00 0.00 -0.27 0.00 0.00 36.82 37.86 2pru h ILE 36 CO 0.08 0.24 -0.02 -1.13 -1.05 0.00 0.00 178.15 176.27 2pru h ASN 37 N 0.54 0.04 0.00 2.16 -0.73 -1.48 -2.80 115.58 113.31 2pru h ASN 37 Ca 0.12 -0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.20 2pru h ASN 37 Cb 0.25 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.82 2pru h ASN 37 CO 0.00 0.07 -1.18 -3.20 -0.37 0.00 0.00 177.43 172.76 2pru n ASN 38 N -4.48 1.79 0.02 1.15 2.85 -0.74 -4.74 115.26 111.11 2pru n ASN 38 Ca -0.02 0.30 0.13 0.00 -0.11 0.00 0.00 54.58 54.88 2pru n ASN 38 Cb 0.12 -0.69 0.47 0.00 1.24 0.00 0.00 39.78 40.93 2pru n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2pru n GLU 39 N -4.26 0.07 0.11 1.20 -0.58 0.58 -3.82 120.64 113.94 2pru n GLU 39 Ca -0.20 0.04 -0.22 0.00 -0.42 0.00 0.00 57.16 56.36 2pru n GLU 39 Cb 0.53 -1.57 -0.14 0.00 -0.57 0.00 0.00 31.44 29.70 2pru n GLU 39 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2pru h LEU 40 N 0.00 0.83 -4.66 -4.62 6.46 -1.61 -3.46 115.31 108.24 2pru h LEU 40 Ca 0.00 -0.81 -0.27 0.00 -0.12 0.00 0.00 57.88 56.68 2pru h LEU 40 Cb 0.56 -0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 40.17 2pru h LEU 40 CO 0.00 1.62 1.06 -1.20 -0.62 0.00 0.00 178.44 179.30 2pru n SER 41 N -3.75 -0.08 -3.38 1.25 7.64 -1.25 -4.87 113.62 109.18 2pru n SER 41 Ca -0.14 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.48 2pru n SER 41 Cb 1.02 -0.48 -0.10 0.00 -1.01 0.00 0.00 64.21 63.64 2pru n SER 41 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2pru s HIS 42 N 3.97 0.87 -0.64 1.43 5.04 -1.26 -4.95 115.29 119.75 2pru s HIS 42 Ca 0.79 -2.07 -0.09 0.00 -1.54 0.00 0.00 55.06 52.15 2pru s HIS 42 Cb -0.68 -0.85 0.01 0.00 0.04 0.00 0.00 32.58 31.10 2pru s HIS 42 CO 0.30 -0.85 0.65 1.19 -2.34 0.00 0.00 174.74 173.69 2pru n PHE 43 N 3.16 -2.93 0.14 3.88 3.72 -1.26 -4.80 117.46 119.37 2pru n PHE 43 Ca 0.25 1.16 0.06 0.00 -0.05 0.00 0.00 57.45 58.87 2pru n PHE 43 Cb 0.46 -3.61 0.54 0.00 -0.94 0.00 0.00 39.48 35.92 2pru n PHE 43 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2pru h LEU 44 N 0.92 0.21 -1.28 4.37 -0.00 -1.94 -1.42 115.31 116.18 2pru h LEU 44 Ca -0.18 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 57.64 2pru h LEU 44 Cb 1.12 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.72 2pru h LEU 44 CO 0.28 0.16 -0.29 -0.33 -0.00 0.00 0.00 178.44 178.26 2pru h GLU 45 N 0.25 0.00 0.00 1.13 3.07 -1.97 -3.01 114.58 114.05 2pru h GLU 45 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2pru h GLU 45 Cb -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 2pru h GLU 45 CO -0.01 0.29 -0.78 0.93 -1.40 0.00 0.00 179.01 178.03 2pru h GLU 46 N 0.00 0.00 -6.32 2.33 4.39 -1.59 -3.47 114.58 109.92 2pru h GLU 46 Ca -0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.16 2pru h GLU 46 Cb 0.68 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2pru h GLU 46 CO 0.04 0.00 -0.18 0.96 -1.16 0.00 0.00 179.01 178.67 2pru s ILE 47 N -3.32 1.88 0.00 3.13 -4.36 -1.14 -5.10 121.20 112.29 2pru s ILE 47 Ca 0.02 -1.22 0.00 0.00 -0.26 0.00 0.00 60.65 59.18 2pru s ILE 47 Cb 0.09 -2.10 0.00 0.00 1.25 0.00 0.00 42.46 41.70 2pru s ILE 47 CO 0.76 0.00 0.06 0.29 0.24 0.00 0.00 174.94 176.29 2pru n LYS 48 N -2.05 0.00 0.00 0.37 4.76 -0.73 -4.86 118.16 115.65 2pru n LYS 48 Ca 0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 2pru n LYS 48 Cb 0.63 -0.51 0.00 0.00 -1.84 0.00 0.00 35.03 33.31 2pru n LYS 48 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2pru n GLU 49 N -0.44 0.00 -0.34 1.97 1.02 0.27 -4.50 120.64 118.62 2pru n GLU 49 Ca 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.29 2pru n GLU 49 Cb 0.00 0.00 0.37 0.00 -0.02 0.00 0.00 31.44 31.79 2pru n GLU 49 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 2pru h GLN 50 N 0.00 0.65 -0.06 3.49 3.07 -1.89 0.66 115.11 121.02 2pru h GLN 50 Ca 0.00 -0.04 -0.19 0.00 0.09 0.00 0.00 58.65 58.51 2pru h GLN 50 Cb 0.00 -0.15 -0.00 0.00 0.08 0.00 0.00 27.48 27.41 2pru h GLN 50 CO 0.00 0.43 -0.77 0.93 0.09 0.00 0.00 178.83 179.51 2pru h GLU 51 N 0.67 0.40 0.02 0.06 5.08 -1.95 -3.32 114.58 115.54 2pru h GLU 51 Ca 0.58 -0.35 -0.28 0.00 -1.00 0.00 0.00 59.36 58.32 2pru h GLU 51 Cb 1.04 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 2pru h GLU 51 CO -0.37 0.99 -1.52 0.28 -1.00 0.00 0.00 179.01 177.39 2pru h VAL 52 N 0.27 1.09 -0.02 3.13 2.07 -0.30 -3.37 116.25 119.12 2pru h VAL 52 Ca -0.04 -2.88 0.03 0.00 0.82 0.00 0.00 66.70 64.64 2pru h VAL 52 Cb 1.35 2.57 -0.04 0.00 -1.52 0.00 0.00 31.29 33.65 2pru h VAL 52 CO 0.13 0.67 -0.24 0.58 0.02 0.00 0.00 177.57 178.73 2pru h VAL 53 N 0.01 0.44 -0.79 2.57 2.07 -0.15 0.42 116.25 120.82 2pru h VAL 53 Ca -0.22 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2pru h VAL 53 Cb 1.95 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 2pru h VAL 53 CO 0.10 0.00 0.43 0.44 0.02 0.00 0.00 177.57 178.57 2pru h ASP 54 N -0.37 0.99 -0.47 0.57 3.32 -1.74 0.28 116.42 119.00 2pru h ASP 54 Ca 0.07 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 2pru h ASP 54 Cb 0.46 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2pru h ASP 54 CO -0.23 0.80 0.01 0.11 -1.72 0.00 0.00 179.24 178.21 2pru h LYS 55 N 1.10 0.83 -0.14 3.56 1.57 -1.56 -1.75 116.57 120.18 2pru h LYS 55 Ca 0.28 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2pru h LYS 55 Cb 0.03 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2pru h LYS 55 CO -0.04 0.87 0.01 0.28 -0.57 0.00 0.00 179.45 180.00 2pru h VAL 56 N 0.68 0.92 -0.99 0.50 2.07 0.44 -1.97 116.25 117.90 2pru h VAL 56 Ca 0.13 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.68 2pru h VAL 56 Cb 0.50 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 2pru h VAL 56 CO 0.02 0.01 0.65 0.24 0.02 0.00 0.00 177.57 178.51 2pru h MET 57 N 0.06 1.18 0.17 1.57 2.86 -0.17 0.59 114.93 121.20 2pru h MET 57 Ca 0.06 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2pru h MET 57 Cb 0.07 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.46 2pru h MET 57 CO -0.09 0.78 -0.08 0.93 1.06 0.00 0.00 176.91 179.50 2pru h GLU 58 N 1.21 -0.23 -0.19 1.72 5.08 -1.09 -2.52 114.58 118.57 2pru h GLU 58 Ca 0.41 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.69 2pru h GLU 58 Cb 0.07 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2pru h GLU 58 CO -0.14 0.03 -0.25 1.79 -1.00 0.00 0.00 179.01 179.44 2pru h THR 59 N -0.46 1.34 -0.24 1.13 1.35 -0.82 -1.80 112.91 113.40 2pru h THR 59 Ca -0.02 -1.45 0.04 0.00 -0.55 0.00 0.00 66.41 64.43 2pru h THR 59 Cb 0.36 1.83 -0.04 0.00 -1.73 0.00 0.00 68.15 68.57 2pru h THR 59 CO 0.04 0.44 0.01 0.25 -0.25 0.00 0.00 175.52 176.01 2pru h LEU 60 N 0.16 -0.06 -0.44 3.87 5.85 0.09 0.33 115.31 125.11 2pru h LEU 60 Ca 0.02 0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.61 2pru h LEU 60 Cb 0.81 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 2pru h LEU 60 CO 0.06 -0.00 -0.67 -0.78 -0.34 0.00 0.00 178.44 176.71 2pru h ASP 61 N 0.09 0.55 0.22 1.25 3.58 -1.48 -1.53 116.42 119.11 2pru h ASP 61 Ca 0.11 -0.33 -0.30 0.00 0.42 0.00 0.00 57.03 56.93 2pru h ASP 61 Cb 0.13 -0.16 0.03 0.00 1.72 0.00 0.00 39.33 41.06 2pru h ASP 61 CO -0.18 1.06 -1.30 0.78 -2.88 0.00 0.00 179.24 176.73 2pru h ASN 62 N 0.34 0.74 -0.04 2.28 2.35 -1.03 -3.36 115.58 116.85 2pru h ASN 62 Ca -0.02 -0.93 -0.04 0.00 -0.55 0.00 0.00 56.30 54.76 2pru h ASN 62 Cb 1.23 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.36 2pru h ASN 62 CO 0.12 1.63 -0.13 -0.78 -1.65 0.00 0.00 177.43 176.62 2pru h ASP 63 N -0.01 0.19 -0.18 5.81 1.82 -0.43 -3.35 116.42 120.28 2pru h ASP 63 Ca -0.23 -0.61 -0.69 0.00 -0.39 0.00 0.00 57.03 55.12 2pru h ASP 63 Cb 2.02 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 41.97 2pru h ASP 63 CO 0.24 0.76 3.48 0.61 -1.61 0.00 0.00 179.24 182.72 2pru n GLY 64 N 0.56 4.41 0.28 -0.78 0.00 -0.58 -4.57 105.19 104.52 2pru n GLY 64 Ca -0.08 -1.60 -0.05 0.00 0.00 0.00 0.00 46.02 44.29 2pru n GLY 64 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2pru h ASP 65 N 5.21 0.76 0.00 1.61 1.82 -1.75 -3.06 116.42 121.00 2pru h ASP 65 Ca 0.77 -0.20 0.00 0.00 -0.39 0.00 0.00 57.03 57.21 2pru h ASP 65 Cb 0.38 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.19 2pru h ASP 65 CO 1.77 0.85 -0.41 0.61 -1.61 0.00 0.00 179.24 180.46 2pru n GLY 66 N -0.56 0.00 3.53 -0.78 0.00 -1.26 -4.96 105.19 101.16 2pru n GLY 66 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2pru n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pru s GLU 67 N -1.41 2.01 -0.15 1.61 0.41 -1.26 -3.83 118.70 116.07 2pru s GLU 67 Ca 0.00 -1.06 -0.06 0.00 -0.41 0.00 0.00 54.97 53.43 2pru s GLU 67 Cb 0.00 -2.23 0.07 0.00 -1.78 0.00 0.00 34.13 30.19 2pru s GLU 67 CO 0.00 0.51 0.33 0.00 -0.49 0.00 0.00 175.26 175.61 2pru n ASP 69 N 5.01 2.73 0.19 0.00 2.03 -1.26 -3.21 116.55 122.04 2pru n ASP 69 Ca -0.13 -2.48 0.14 0.00 0.52 0.00 0.00 54.79 52.84 2pru n ASP 69 Cb 0.51 0.16 0.42 0.00 -0.72 0.00 0.00 41.12 41.48 2pru n ASP 69 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 2pru h PHE 70 N 0.99 0.00 0.07 -0.67 -5.15 -1.98 -2.56 116.94 107.63 2pru h PHE 70 Ca -0.28 0.00 -0.27 0.00 -0.20 0.00 0.00 57.97 57.22 2pru h PHE 70 Cb 0.89 0.00 0.02 0.00 0.22 0.00 0.00 35.95 37.08 2pru h PHE 70 CO 0.00 0.00 -1.13 0.37 -2.00 0.00 0.00 178.31 175.55 2pru h GLN 71 N 0.00 0.55 0.00 6.09 4.15 -1.99 -1.60 115.11 122.32 2pru h GLN 71 Ca 0.00 -0.69 -0.12 0.00 0.77 0.00 0.00 58.65 58.62 2pru h GLN 71 Cb 0.70 0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.58 2pru h GLN 71 CO 0.00 1.29 -0.57 0.93 -1.93 0.00 0.00 178.83 178.55 2pru h GLU 72 N 0.27 0.00 0.11 1.69 3.07 -1.94 -0.40 114.58 117.38 2pru h GLU 72 Ca -0.14 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.73 2pru h GLU 72 Cb 1.79 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.67 2pru h GLU 72 CO 0.21 0.57 -0.25 0.35 -1.40 0.00 0.00 179.01 178.49 2pru h PHE 73 N 0.00 -0.66 -0.26 4.33 3.04 -1.34 0.11 116.94 122.15 2pru h PHE 73 Ca -0.01 0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.96 2pru h PHE 73 Cb 1.03 0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.80 2pru h PHE 73 CO 0.00 -0.35 0.17 1.98 -2.02 0.00 0.00 178.31 178.09 2pru h MET 74 N -0.45 0.34 0.74 1.11 4.05 -1.07 -3.11 114.93 116.54 2pru h MET 74 Ca 0.03 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 2pru h MET 74 Cb 0.48 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.20 2pru h MET 74 CO -0.15 0.22 -0.39 0.00 0.23 0.00 0.00 176.91 176.82 2pru h ALA 75 N 1.10 -1.05 -0.47 0.39 0.00 -0.69 -2.74 119.26 115.81 2pru h ALA 75 Ca 0.10 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2pru h ALA 75 Cb -0.03 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2pru h ALA 75 CO -0.03 -1.10 -0.08 0.74 0.00 0.00 0.00 179.25 178.78 2pru h PHE 76 N -1.04 0.91 -0.17 0.00 -1.00 -0.88 -1.94 116.94 112.82 2pru h PHE 76 Ca -0.10 -0.16 -0.02 0.00 2.81 0.00 0.00 57.97 60.51 2pru h PHE 76 Cb 0.82 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 40.13 2pru h PHE 76 CO -0.05 0.87 0.03 -0.24 -1.61 0.00 0.00 178.31 177.31 2pru h VAL 77 N 0.76 1.21 -0.23 -0.55 3.04 -1.57 -1.81 116.25 117.10 2pru h VAL 77 Ca 0.13 -0.68 -0.09 0.00 -1.01 0.00 0.00 66.70 65.05 2pru h VAL 77 Cb 0.57 1.34 -0.01 0.00 -2.01 0.00 0.00 31.29 31.18 2pru h VAL 77 CO 0.03 0.20 -0.26 0.00 -1.01 0.00 0.00 177.57 176.54 2pru h ALA 78 N 0.83 1.14 0.00 3.17 0.00 -1.32 -0.42 119.26 122.66 2pru h ALA 78 Ca 0.05 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 2pru h ALA 78 Cb 0.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2pru h ALA 78 CO 0.00 0.55 -0.31 0.00 0.00 0.00 0.00 179.25 179.48 2pru h MET 79 N 0.38 0.00 0.16 0.00 -0.00 -1.32 -0.68 114.93 113.47 2pru h MET 79 Ca 0.06 0.00 -0.33 0.00 -0.00 0.00 0.00 59.70 59.43 2pru h MET 79 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.27 2pru h MET 79 CO 0.05 0.31 -1.60 -0.24 -0.00 0.00 0.00 176.91 175.43 2pru h VAL 80 N 0.00 1.09 0.26 -0.10 3.04 -0.75 -3.15 116.25 116.64 2pru h VAL 80 Ca -0.00 -2.68 -0.01 0.00 -1.01 0.00 0.00 66.70 62.99 2pru h VAL 80 Cb 1.21 2.80 0.00 0.00 -2.01 0.00 0.00 31.29 33.29 2pru h VAL 80 CO 0.04 0.83 -0.12 0.74 -1.01 0.00 0.00 177.57 178.05 2pru h THR 81 N 0.09 0.12 0.00 3.17 2.02 -1.14 0.80 112.91 117.96 2pru h THR 81 Ca -0.28 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.10 2pru h THR 81 Cb 2.06 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 2pru h THR 81 CO 0.18 0.03 -0.30 0.74 0.37 0.00 0.00 175.52 176.54 2pru h THR 82 N -1.07 0.00 -4.23 3.16 2.02 -1.33 -1.94 112.91 109.51 2pru h THR 82 Ca -0.04 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.21 2pru h THR 82 Cb 0.32 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 2pru h THR 82 CO 0.06 0.00 -0.93 0.00 0.37 0.00 0.00 175.52 175.02 2pru n ALA 83 N -3.25 -1.93 0.00 6.16 0.00 -1.07 -4.56 120.51 115.87 2pru n ALA 83 Ca -0.04 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2pru n ALA 83 Cb 0.16 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2pru n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pru s HIS 85 N 0.00 3.45 0.62 0.00 0.00 -1.26 -5.08 115.29 113.01 2pru s HIS 85 Ca 0.00 -3.15 -0.17 0.00 -3.00 0.00 0.00 55.06 48.74 2pru s HIS 85 Cb 0.00 -2.89 -0.02 0.00 -4.00 0.00 0.00 32.58 25.67 2pru s HIS 85 CO 0.00 -0.68 1.13 -1.21 -1.00 0.00 0.00 174.74 172.98 2pru s GLU 86 N -0.82 2.94 0.00 -0.38 8.01 -1.26 -3.16 118.70 124.03 2pru s GLU 86 Ca 0.21 1.54 0.00 0.00 0.01 0.00 0.00 54.97 56.73 2pru s GLU 86 Cb -0.15 -1.96 0.00 0.00 -4.31 0.00 0.00 34.13 27.71 2pru s GLU 86 CO -0.08 -1.16 0.00 1.19 0.01 0.00 0.00 175.26 175.22 2pru n PHE 87 N -1.98 0.00 -0.40 1.61 3.01 -1.26 -4.84 117.46 113.60 2pru n PHE 87 Ca 0.11 0.00 0.33 0.00 1.01 0.00 0.00 57.45 58.90 2pru n PHE 87 Cb 0.51 -0.21 0.60 0.00 -0.01 0.00 0.00 39.48 40.38 2pru n PHE 87 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 2pru h PHE 88 N 0.00 0.65 0.00 1.38 3.57 -1.96 0.84 116.94 121.42 2pru h PHE 88 Ca 0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2pru h PHE 88 Cb 0.00 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 2pru h PHE 88 CO 0.00 -0.23 -0.20 0.93 -2.23 0.00 0.00 178.31 176.58 2pru h GLU 89 N 0.13 0.00 0.00 1.11 5.08 -1.88 -3.40 114.58 115.62 2pru h GLU 89 Ca 0.80 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.16 2pru h GLU 89 Cb 2.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.56 2pru h GLU 89 CO -0.50 0.20 0.00 0.72 -1.00 0.00 0.00 179.01 178.43 2pru n HIS 90 N -3.60 -1.15 -0.13 4.33 8.25 0.19 -5.27 115.22 117.84 2pru n HIS 90 Ca -0.01 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 2pru n HIS 90 Cb 0.34 0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.76 2pru n HIS 90 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37