#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 0.41 0.00 1.43 4.57 -2.06 -3.18 114.58 115.75 2pru h GLU 2 Ca 0.00 -0.70 -0.05 0.00 -1.18 0.00 0.00 59.36 57.42 2pru h GLU 2 Cb 0.00 0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2pru h GLU 2 CO 0.00 1.32 -0.26 -0.07 -1.18 0.00 0.00 179.01 178.82 2pru h LEU 3 N 0.11 0.00 0.51 1.64 -0.00 -2.05 -3.06 115.31 112.46 2pru h LEU 3 Ca -0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.59 2pru h LEU 3 Cb 2.10 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.74 2pru h LEU 3 CO 0.21 0.26 -0.50 -0.08 -0.00 0.00 0.00 178.44 178.33 2pru h GLU 4 N 0.00 -0.97 0.00 1.13 4.81 -1.99 0.66 114.58 118.22 2pru h GLU 4 Ca -0.00 0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2pru h GLU 4 Cb 0.54 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 2pru h GLU 4 CO 0.03 -0.65 -0.19 1.57 -0.73 0.00 0.00 179.01 179.05 2pru h LYS 5 N -1.01 0.00 -0.00 1.92 2.10 -1.58 -0.80 116.57 117.21 2pru h LYS 5 Ca -0.06 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2pru h LYS 5 Cb 0.87 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 2pru h LYS 5 CO -0.06 0.19 -0.00 0.00 -2.00 0.00 0.00 179.45 177.57 2pru h ALA 6 N 1.81 0.00 -0.35 0.07 0.00 -1.38 -2.46 119.26 116.96 2pru h ALA 6 Ca -0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 2pru h ALA 6 Cb 0.33 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2pru h ALA 6 CO 0.02 -0.20 -0.23 1.98 0.00 0.00 0.00 179.25 180.82 2pru h MET 7 N -0.58 0.77 -0.23 0.00 1.85 -0.59 -2.87 114.93 113.28 2pru h MET 7 Ca 0.00 -0.36 -0.10 0.00 -0.61 0.00 0.00 59.70 58.63 2pru h MET 7 Cb 0.59 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.60 2pru h MET 7 CO 0.00 0.99 -0.27 -0.24 -0.40 0.00 0.00 176.91 176.98 2pru h VAL 8 N 0.55 1.27 -0.23 -5.77 3.04 -1.24 -2.71 116.25 111.17 2pru h VAL 8 Ca 0.07 -1.29 -0.02 0.00 -1.01 0.00 0.00 66.70 64.45 2pru h VAL 8 Cb 0.79 1.39 -0.01 0.00 -2.01 0.00 0.00 31.29 31.45 2pru h VAL 8 CO 0.06 0.41 0.06 0.00 -1.01 0.00 0.00 177.57 177.08 2pru h ALA 9 N 1.33 0.30 -0.89 3.17 0.00 -1.33 0.13 119.26 121.97 2pru h ALA 9 Ca 0.06 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2pru h ALA 9 Cb 0.68 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 2pru h ALA 9 CO 0.05 -0.05 0.57 -0.07 0.00 0.00 0.00 179.25 179.75 2pru h LEU 10 N 0.18 0.95 0.21 0.00 3.38 -1.31 -0.68 115.31 118.04 2pru h LEU 10 Ca 0.07 -0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.70 2pru h LEU 10 Cb 0.27 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 40.83 2pru h LEU 10 CO 0.00 0.64 -1.61 0.16 0.09 0.00 0.00 178.44 177.73 2pru h ILE 11 N 1.10 1.12 -0.25 1.22 3.07 -1.35 -3.13 117.51 119.30 2pru h ILE 11 Ca 0.36 -2.64 -0.20 0.00 1.55 0.00 0.00 64.86 63.93 2pru h ILE 11 Cb 0.02 2.89 0.00 0.00 -0.27 0.00 0.00 36.82 39.46 2pru h ILE 11 CO -0.12 0.84 -0.61 -0.78 -1.05 0.00 0.00 178.15 176.42 2pru h ASP 12 N 0.12 0.97 0.21 2.16 3.58 -0.59 -1.06 116.42 121.81 2pru h ASP 12 Ca -0.29 -0.56 -0.10 0.00 0.42 0.00 0.00 57.03 56.50 2pru h ASP 12 Cb 2.12 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.88 2pru h ASP 12 CO 0.22 1.35 -0.36 0.58 -2.88 0.00 0.00 179.24 178.15 2pru h VAL 13 N 0.62 1.29 -0.61 2.25 2.07 -1.29 -1.56 116.25 119.02 2pru h VAL 13 Ca -0.01 -1.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.09 2pru h VAL 13 Cb 1.23 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 2pru h VAL 13 CO 0.13 0.42 0.25 0.15 0.02 0.00 0.00 177.57 178.54 2pru h PHE 14 N 0.19 0.92 -0.58 1.57 3.57 -1.40 -2.33 116.94 118.88 2pru h PHE 14 Ca 0.02 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 2pru h PHE 14 Cb 0.74 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2pru h PHE 14 CO 0.01 0.73 0.36 1.25 -2.23 0.00 0.00 178.31 178.43 2pru h HIS 15 N 0.85 0.76 -0.50 0.41 2.76 -0.73 -2.71 115.15 115.99 2pru h HIS 15 Ca 0.21 0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.52 2pru h HIS 15 Cb 0.19 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 2pru h HIS 15 CO 0.01 0.51 0.48 1.96 -1.30 0.00 0.00 177.93 179.59 2pru h GLN 16 N 0.79 0.00 -5.28 5.26 4.20 -0.73 -3.21 115.11 116.13 2pru h GLN 16 Ca 0.21 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.25 2pru h GLN 16 Cb -0.04 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 27.58 2pru h GLN 16 CO -0.04 0.00 0.99 0.71 -0.67 0.00 0.00 178.83 179.82 2pru s TYR 17 N -4.69 2.98 -0.19 2.96 1.51 -1.02 -4.98 117.35 113.92 2pru s TYR 17 Ca -0.04 -1.26 -0.05 0.00 -1.01 0.00 0.00 57.07 54.71 2pru s TYR 17 Cb 0.16 -4.38 -0.03 0.00 -0.11 0.00 0.00 41.96 37.61 2pru s TYR 17 CO 0.59 -1.60 0.01 -1.12 -1.11 0.00 0.00 175.55 172.32 2pru s SER 18 N 3.95 4.99 0.56 2.29 0.01 -1.22 -4.85 113.70 119.44 2pru s SER 18 Ca 0.36 -0.13 -0.07 0.00 1.31 0.00 0.00 55.95 57.42 2pru s SER 18 Cb -0.04 -1.85 -0.02 0.00 0.21 0.00 0.00 66.02 64.33 2pru s SER 18 CO -0.10 0.11 0.90 -0.83 0.41 0.00 0.00 173.24 173.73 2pru s GLY 19 N 0.76 1.58 0.28 3.44 0.00 -1.11 -4.86 107.32 107.40 2pru s GLY 19 Ca 0.01 -0.48 0.08 0.00 0.00 0.00 0.00 44.72 44.32 2pru s GLY 19 CO 0.02 -0.24 1.65 0.07 0.00 0.00 0.00 173.10 174.60 2pru h ARG 20 N -0.09 0.14 0.00 2.90 -0.00 -1.99 -3.38 114.38 111.97 2pru h ARG 20 Ca -0.46 -0.08 0.00 0.00 -0.00 0.00 0.00 59.98 59.44 2pru h ARG 20 Cb 1.22 0.01 0.00 0.00 -0.00 0.00 0.00 29.97 31.20 2pru h ARG 20 CO 0.62 0.63 0.00 0.39 -0.00 0.00 0.00 179.97 181.60 2pru n GLU 21 N -3.93 0.00 -0.31 0.08 1.02 -1.26 -4.95 120.64 111.29 2pru n GLU 21 Ca -0.02 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.09 2pru n GLU 21 Cb 0.55 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 32.07 2pru n GLU 21 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2pru h GLY 22 N 0.00 1.29 -0.07 0.62 0.00 -1.91 -1.07 103.07 101.93 2pru h GLY 22 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.72 2pru h GLY 22 CO 0.00 0.58 0.00 1.22 0.00 0.00 0.00 176.54 178.34 2pru n ASP 23 N -4.32 0.79 -0.05 0.19 8.00 -1.24 -1.53 116.55 118.39 2pru n ASP 23 Ca 0.09 -1.55 -0.03 0.00 0.71 0.00 0.00 54.79 54.01 2pru n ASP 23 Cb 0.12 -0.05 -0.15 0.00 -0.02 0.00 0.00 41.12 41.02 2pru n ASP 23 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2pru n LYS 24 N -0.27 0.67 -0.08 -1.24 4.81 -0.43 -2.74 118.16 118.89 2pru n LYS 24 Ca 0.15 -0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.48 2pru n LYS 24 Cb 0.19 -1.59 -0.06 0.00 0.02 0.00 0.00 35.03 33.59 2pru n LYS 24 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2pru h HIS 25 N 0.00 0.00 -3.57 5.64 2.76 -1.18 -3.46 115.15 115.35 2pru h HIS 25 Ca -0.32 0.00 -0.68 0.00 -2.20 0.00 0.00 60.37 57.17 2pru h HIS 25 Cb 1.79 0.00 -0.32 0.00 1.55 0.00 0.00 27.41 30.43 2pru h HIS 25 CO 0.00 0.63 -0.87 0.15 -1.30 0.00 0.00 177.93 176.54 2pru s LYS 26 N -2.19 2.91 0.13 5.26 1.02 -0.58 -4.98 119.74 121.32 2pru s LYS 26 Ca -0.18 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 54.94 2pru s LYS 26 Cb 0.03 -2.29 -0.11 0.00 -0.52 0.00 0.00 37.83 34.93 2pru s LYS 26 CO 0.37 0.26 1.29 -0.07 -0.92 0.00 0.00 175.35 176.28 2pru h LEU 27 N 6.47 0.32 -0.51 3.17 -0.00 -1.73 -3.30 115.31 119.74 2pru h LEU 27 Ca -0.24 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.35 2pru h LEU 27 Cb 1.22 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.78 2pru h LEU 27 CO 0.48 1.13 -0.46 0.29 -0.00 0.00 0.00 178.44 179.88 2pru n LYS 28 N -3.61 -2.34 0.25 1.13 4.01 -0.97 -4.20 118.16 112.42 2pru n LYS 28 Ca -0.05 1.74 0.16 0.00 -0.51 0.00 0.00 58.31 59.64 2pru n LYS 28 Cb 0.88 -1.95 0.54 0.00 -0.51 0.00 0.00 35.03 33.99 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 0.90 0.00 0.00 1.97 1.57 -1.78 -1.60 116.57 117.63 2pru h LYS 29 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2pru h LYS 29 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2pru h LYS 29 CO 0.00 0.00 -0.06 0.77 -0.57 0.00 0.00 179.45 179.59 2pru h SER 30 N 0.00 0.00 0.55 0.86 0.02 -1.85 -0.00 113.55 113.13 2pru h SER 30 Ca 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 2pru h SER 30 Cb 0.62 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 2pru h SER 30 CO 0.00 0.06 -1.51 -0.33 -1.14 0.00 0.00 176.83 173.90 2pru h GLU 31 N 0.00 0.12 0.00 3.45 4.39 -1.46 -3.32 114.58 117.76 2pru h GLU 31 Ca -0.00 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.47 2pru h GLU 31 Cb 0.13 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2pru h GLU 31 CO 0.01 0.90 -0.08 1.25 -1.16 0.00 0.00 179.01 179.93 2pru h LEU 32 N 0.03 0.00 -1.74 1.33 7.12 -1.04 -1.73 115.31 119.29 2pru h LEU 32 Ca -0.22 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.75 2pru h LEU 32 Cb 1.97 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 42.09 2pru h LEU 32 CO 0.12 0.08 -0.17 0.07 -0.13 0.00 0.00 178.44 178.41 2pru h LYS 33 N 0.00 0.00 -0.00 1.25 5.09 -1.15 0.47 116.57 122.23 2pru h LYS 33 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 60.65 60.56 2pru h LYS 33 Cb 0.14 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.45 2pru h LYS 33 CO 0.01 0.17 -0.82 0.93 -2.09 0.00 0.00 179.45 177.65 2pru h GLU 34 N 0.00 0.10 -0.24 0.07 4.39 -1.50 -2.80 114.58 114.60 2pru h GLU 34 Ca -0.00 -0.11 -0.18 0.00 0.34 0.00 0.00 59.36 59.41 2pru h GLU 34 Cb 0.35 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2pru h GLU 34 CO 0.02 0.86 -0.55 1.25 -1.16 0.00 0.00 179.01 179.43 2pru h LEU 35 N 0.06 0.90 -0.40 1.33 5.85 -1.09 -2.64 115.31 119.32 2pru h LEU 35 Ca -0.02 -0.56 -0.06 0.00 0.84 0.00 0.00 57.88 58.07 2pru h LEU 35 Cb 1.43 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2pru h LEU 35 CO 0.12 1.29 -0.01 0.16 -0.34 0.00 0.00 178.44 179.66 2pru h ILE 36 N 0.55 1.26 0.00 4.05 3.07 -0.97 0.10 117.51 125.56 2pru h ILE 36 Ca -0.00 -1.02 -0.01 0.00 1.55 0.00 0.00 64.86 65.38 2pru h ILE 36 Cb 1.17 1.14 -0.00 0.00 -0.27 0.00 0.00 36.82 38.85 2pru h ILE 36 CO 0.12 0.34 -0.06 0.78 -1.05 0.00 0.00 178.15 178.28 2pru h ASN 37 N 0.53 0.00 0.00 2.16 -0.26 -1.50 0.22 115.58 116.73 2pru h ASN 37 Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 2pru h ASN 37 Cb 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 2pru h ASN 37 CO 0.02 0.06 -0.66 -3.20 -1.06 0.00 0.00 177.43 172.59 2pru n ASN 38 N -3.91 1.48 -0.10 5.81 5.15 -1.00 -4.71 115.26 117.98 2pru n ASN 38 Ca -0.03 0.35 -0.18 0.00 -0.60 0.00 0.00 54.58 54.12 2pru n ASN 38 Cb 0.15 -0.72 -0.08 0.00 -0.53 0.00 0.00 39.78 38.60 2pru n ASN 38 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2pru n GLU 39 N -4.04 0.54 0.05 1.20 -0.58 0.32 -4.22 120.64 113.90 2pru n GLU 39 Ca -0.09 0.50 -0.02 0.00 -0.42 0.00 0.00 57.16 57.13 2pru n GLU 39 Cb 0.34 -1.68 0.23 0.00 -0.57 0.00 0.00 31.44 29.77 2pru n GLU 39 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2pru h LEU 40 N -1.00 0.40 -6.56 -4.62 4.07 -1.39 -3.19 115.31 103.00 2pru h LEU 40 Ca -0.30 -0.13 -0.61 0.00 0.08 0.00 0.00 57.88 56.92 2pru h LEU 40 Cb 1.15 -0.11 -0.42 0.00 1.08 0.00 0.00 40.66 42.36 2pru h LEU 40 CO -0.18 0.66 -0.64 -0.24 -1.08 0.00 0.00 178.44 176.96 2pru n SER 41 N -4.12 2.94 -0.06 -0.43 2.88 0.77 -4.47 113.62 111.13 2pru n SER 41 Ca -0.01 -3.23 0.05 0.00 -1.33 0.00 0.00 58.87 54.35 2pru n SER 41 Cb 0.40 -0.70 0.07 0.00 -0.75 0.00 0.00 64.21 63.23 2pru n SER 41 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2pru n HIS 42 N 1.47 0.02 -3.65 0.66 -0.00 -1.21 -4.65 115.22 107.87 2pru n HIS 42 Ca 0.25 -0.74 -0.38 0.00 -0.00 0.00 0.00 57.72 56.85 2pru n HIS 42 Cb 0.40 -0.10 -0.08 0.00 -0.00 0.00 0.00 29.99 30.21 2pru n HIS 42 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2pru s PHE 43 N -1.93 3.58 -1.31 1.57 0.08 -1.26 -4.97 117.98 113.75 2pru s PHE 43 Ca 0.16 -2.73 -0.10 0.00 0.12 0.00 0.00 56.93 54.38 2pru s PHE 43 Cb 0.14 -3.28 0.15 0.00 -0.57 0.00 0.00 43.02 39.46 2pru s PHE 43 CO 0.02 -0.83 1.93 1.28 -0.10 0.00 0.00 175.22 177.53 2pru n LEU 44 N 3.19 6.70 0.00 -0.37 7.99 -1.26 -4.34 117.00 128.90 2pru n LEU 44 Ca 0.13 -4.57 0.00 0.00 -0.01 0.00 0.00 56.01 51.56 2pru n LEU 44 Cb 0.39 -1.51 0.00 0.00 -0.11 0.00 0.00 43.42 42.19 2pru n LEU 44 CO 0.34 1.34 0.00 -0.62 -1.51 0.00 0.00 177.39 176.94 2pru n GLU 45 N 4.20 0.00 0.08 3.23 1.02 -1.26 -4.91 120.64 122.99 2pru n GLU 45 Ca 0.42 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.46 2pru n GLU 45 Cb 0.37 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.78 2pru n GLU 45 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2pru h GLU 46 N 0.00 0.26 -5.42 3.49 4.39 -1.97 -3.48 114.58 111.85 2pru h GLU 46 Ca 0.00 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 2pru h GLU 46 Cb 0.00 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2pru h GLU 46 CO 0.00 0.97 -0.38 -0.89 -1.16 0.00 0.00 179.01 177.56 2pru n ILE 47 N -3.71-10.22 0.67 3.13 2.08 -1.26 -4.93 119.36 105.12 2pru n ILE 47 Ca -0.04 0.43 0.11 0.00 0.56 0.00 0.00 62.75 63.81 2pru n ILE 47 Cb 0.79 -6.87 0.06 0.00 -0.75 0.00 0.00 39.64 32.87 2pru n ILE 47 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2pru n LYS 48 N -0.88 0.22 0.10 0.38 4.76 -1.26 -4.16 118.16 117.32 2pru n LYS 48 Ca 0.05 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.55 2pru n LYS 48 Cb 0.49 -1.58 0.48 0.00 -1.84 0.00 0.00 35.03 32.59 2pru n LYS 48 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 2pru h GLU 49 N 0.00 0.31 -0.96 1.97 4.11 -1.85 -2.34 114.58 115.83 2pru h GLU 49 Ca 0.00 -0.03 0.15 0.00 0.07 0.00 0.00 59.36 59.55 2pru h GLU 49 Cb 0.68 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.77 2pru h GLU 49 CO 0.00 0.25 0.57 -0.56 0.07 0.00 0.00 179.01 179.34 2pru h GLN 50 N 0.32 0.80 0.00 1.06 3.07 -1.91 0.38 115.11 118.82 2pru h GLN 50 Ca 0.08 -0.05 -0.02 0.00 0.09 0.00 0.00 58.65 58.76 2pru h GLN 50 Cb 0.04 -0.18 -0.00 0.00 0.08 0.00 0.00 27.48 27.42 2pru h GLN 50 CO -0.01 0.53 -0.16 0.93 0.09 0.00 0.00 178.83 180.21 2pru h GLU 51 N 0.82 0.00 -0.19 0.06 5.08 -1.79 -3.41 114.58 115.15 2pru h GLU 51 Ca 0.51 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.68 2pru h GLU 51 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2pru h GLU 51 CO -0.33 0.42 -0.63 0.28 -1.00 0.00 0.00 179.01 177.75 2pru h VAL 52 N -1.00 1.30 -0.92 3.13 2.07 -1.10 -3.22 116.25 116.51 2pru h VAL 52 Ca -0.03 -1.87 0.08 0.00 0.82 0.00 0.00 66.70 65.70 2pru h VAL 52 Cb 0.50 1.83 -0.07 0.00 -1.52 0.00 0.00 31.29 32.03 2pru h VAL 52 CO -0.02 0.59 0.57 0.58 0.02 0.00 0.00 177.57 179.31 2pru h VAL 53 N 0.51 1.00 -0.45 2.57 2.07 -0.49 0.41 116.25 121.87 2pru h VAL 53 Ca -0.01 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2pru h VAL 53 Cb 1.22 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2pru h VAL 53 CO 0.13 0.18 0.23 -0.78 0.02 0.00 0.00 177.57 177.35 2pru h ASP 54 N 0.99 0.58 -0.31 0.57 3.58 -1.73 0.37 116.42 120.47 2pru h ASP 54 Ca 0.42 -0.11 -0.07 0.00 0.42 0.00 0.00 57.03 57.69 2pru h ASP 54 Cb 0.27 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 2pru h ASP 54 CO -0.21 0.52 -0.05 0.11 -2.88 0.00 0.00 179.24 176.74 2pru h LYS 55 N 0.59 0.69 -0.48 0.28 1.57 -1.21 -0.78 116.57 117.23 2pru h LYS 55 Ca 0.16 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2pru h LYS 55 Cb 0.08 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2pru h LYS 55 CO -0.02 0.74 0.20 0.28 -0.57 0.00 0.00 179.45 180.08 2pru h VAL 56 N 0.64 1.20 0.00 0.50 2.07 0.30 0.21 116.25 121.18 2pru h VAL 56 Ca 0.12 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 2pru h VAL 56 Cb 0.47 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2pru h VAL 56 CO 0.02 0.23 -0.31 0.24 0.02 0.00 0.00 177.57 177.78 2pru h MET 57 N 0.63 0.00 0.11 1.57 2.86 0.38 0.41 114.93 120.88 2pru h MET 57 Ca 0.16 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2pru h MET 57 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2pru h MET 57 CO -0.02 0.31 -0.05 1.49 1.06 0.00 0.00 176.91 179.70 2pru h GLU 58 N 0.00 -0.14 -0.41 1.72 4.81 -0.82 -3.31 114.58 116.42 2pru h GLU 58 Ca -0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2pru h GLU 58 Cb 0.55 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 2pru h GLU 58 CO 0.04 0.37 0.14 1.79 -0.73 0.00 0.00 179.01 180.62 2pru h THR 59 N -0.82 1.17 -0.98 0.32 1.35 -0.30 0.32 112.91 113.97 2pru h THR 59 Ca -0.01 -0.56 0.31 0.00 -0.55 0.00 0.00 66.41 65.60 2pru h THR 59 Cb 0.57 0.71 -0.15 0.00 -1.73 0.00 0.00 68.15 67.54 2pru h THR 59 CO 0.02 0.21 0.49 0.25 -0.25 0.00 0.00 175.52 176.25 2pru h LEU 60 N 0.59 0.38 0.00 3.87 5.85 -0.28 -0.24 115.31 125.48 2pru h LEU 60 Ca 0.14 0.20 -0.32 0.00 0.84 0.00 0.00 57.88 58.74 2pru h LEU 60 Cb 0.16 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 2pru h LEU 60 CO -0.01 -0.17 -2.07 -0.67 -0.34 0.00 0.00 178.44 175.19 2pru n ASP 61 N -5.11 1.37 -0.03 1.25 2.03 -0.84 -4.46 116.55 110.77 2pru n ASP 61 Ca 0.30 0.23 -0.15 0.00 0.52 0.00 0.00 54.79 55.69 2pru n ASP 61 Cb 0.95 -0.55 -0.10 0.00 -0.72 0.00 0.00 41.12 40.69 2pru n ASP 61 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2pru h ASN 62 N -0.67 0.30 0.41 1.67 -0.26 -0.34 -3.35 115.58 113.34 2pru h ASN 62 Ca -0.48 -0.67 -0.15 0.00 -0.56 0.00 0.00 56.30 54.44 2pru h ASN 62 Cb 1.43 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 38.59 2pru h ASN 62 CO -0.29 0.93 -0.62 -0.78 -1.06 0.00 0.00 177.43 175.61 2pru h ASP 63 N -0.30 0.22 -3.40 5.81 3.58 -1.18 -3.46 116.42 117.69 2pru h ASP 63 Ca -0.02 -0.13 -0.19 0.00 0.42 0.00 0.00 57.03 57.11 2pru h ASP 63 Cb 0.93 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.88 2pru h ASP 63 CO 0.05 0.79 -0.15 0.61 -2.88 0.00 0.00 179.24 177.66 2pru n GLY 64 N 0.29 3.92 0.12 -0.78 0.00 -1.16 -5.07 105.19 102.51 2pru n GLY 64 Ca -0.02 -2.11 -0.25 0.00 0.00 0.00 0.00 46.02 43.64 2pru n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pru n ASP 65 N -1.52 1.92 0.00 1.61 2.03 -1.26 -4.77 116.55 114.55 2pru n ASP 65 Ca -0.04 0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.65 2pru n ASP 65 Cb 0.19 -0.86 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 2pru n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pru n GLY 66 N 1.34 0.00 3.24 0.27 0.00 -1.26 -4.99 105.19 103.79 2pru n GLY 66 Ca -0.42 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 2pru n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2pru s GLU 67 N 0.00 1.03 -0.02 1.61 4.04 -1.26 -2.30 118.70 121.80 2pru s GLU 67 Ca 0.00 -1.29 -0.02 0.00 0.04 0.00 0.00 54.97 53.70 2pru s GLU 67 Cb 0.00 -0.82 0.01 0.00 0.02 0.00 0.00 34.13 33.34 2pru s GLU 67 CO 0.00 0.14 0.05 0.00 -1.84 0.00 0.00 175.26 173.61 2pru s ASP 69 N 0.05 2.33 0.55 0.00 -1.08 -1.26 -4.61 116.67 112.64 2pru s ASP 69 Ca -0.00 -1.14 0.31 0.00 -0.52 0.00 0.00 52.55 51.19 2pru s ASP 69 Cb -0.01 -0.09 1.58 0.00 -1.46 0.00 0.00 42.92 42.94 2pru s ASP 69 CO -0.00 -0.35 2.10 2.19 0.52 0.00 0.00 175.17 179.63 2pru h PHE 70 N 2.46 0.00 -0.28 -5.34 -5.15 -1.98 0.11 116.94 106.75 2pru h PHE 70 Ca -0.39 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.29 2pru h PHE 70 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.38 2pru h PHE 70 CO 0.65 0.09 -0.24 -0.56 -2.00 0.00 0.00 178.31 176.25 2pru h GLN 71 N 0.00 0.54 0.00 6.09 3.07 -1.99 -0.61 115.11 122.21 2pru h GLN 71 Ca -0.00 -0.20 -0.20 0.00 0.09 0.00 0.00 58.65 58.33 2pru h GLN 71 Cb 0.31 -0.03 -0.03 0.00 0.08 0.00 0.00 27.48 27.81 2pru h GLN 71 CO 0.01 0.74 -0.98 0.93 0.09 0.00 0.00 178.83 179.62 2pru h GLU 72 N 0.48 0.00 -0.55 0.06 5.08 -1.49 -0.29 114.58 117.87 2pru h GLU 72 Ca 0.07 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2pru h GLU 72 Cb 0.67 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 2pru h GLU 72 CO 0.05 0.91 0.33 0.35 -1.00 0.00 0.00 179.01 179.65 2pru h PHE 73 N 0.00 0.62 0.00 4.33 3.04 -0.54 0.33 116.94 124.72 2pru h PHE 73 Ca -0.02 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 2pru h PHE 73 Cb 1.74 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 40.05 2pru h PHE 73 CO 0.00 0.35 -0.00 1.98 -2.02 0.00 0.00 178.31 178.62 2pru h MET 74 N 0.65 -0.00 0.11 1.11 4.05 -0.98 -2.65 114.93 117.22 2pru h MET 74 Ca 0.22 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.66 2pru h MET 74 Cb 0.03 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.80 2pru h MET 74 CO -0.10 0.13 -0.25 0.00 0.23 0.00 0.00 176.91 176.92 2pru h ALA 75 N 0.87 -0.42 -0.71 0.39 0.00 -0.30 -0.99 119.26 118.11 2pru h ALA 75 Ca -0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2pru h ALA 75 Cb 0.13 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2pru h ALA 75 CO 0.00 -0.78 0.21 0.74 0.00 0.00 0.00 179.25 179.42 2pru h PHE 76 N -0.45 1.15 -0.34 0.00 0.04 -0.43 -2.05 116.94 114.86 2pru h PHE 76 Ca 0.03 -0.12 -0.09 0.00 2.80 0.00 0.00 57.97 60.59 2pru h PHE 76 Cb 0.48 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 2pru h PHE 76 CO -0.23 0.92 -0.14 -0.24 -0.60 0.00 0.00 178.31 178.02 2pru h VAL 77 N 1.05 1.29 0.00 -0.55 3.04 -1.28 -0.80 116.25 119.00 2pru h VAL 77 Ca 0.23 -1.23 -0.08 0.00 -1.01 0.00 0.00 66.70 64.61 2pru h VAL 77 Cb 0.32 1.37 -0.01 0.00 -2.01 0.00 0.00 31.29 30.96 2pru h VAL 77 CO -0.01 0.40 -0.37 0.00 -1.01 0.00 0.00 177.57 176.59 2pru h ALA 78 N 0.79 1.33 0.09 3.17 0.00 -1.05 -0.02 119.26 123.57 2pru h ALA 78 Ca 0.08 -0.34 -0.30 0.00 0.00 0.00 0.00 54.91 54.35 2pru h ALA 78 Cb 0.66 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2pru h ALA 78 CO 0.04 0.46 -1.55 0.00 0.00 0.00 0.00 179.25 178.21 2pru h MET 79 N 0.00 0.19 0.02 0.00 -0.00 -1.24 0.20 114.93 114.10 2pru h MET 79 Ca -0.00 -0.32 -0.25 0.00 -0.00 0.00 0.00 59.70 59.13 2pru h MET 79 Cb 0.68 0.12 0.01 0.00 -0.00 0.00 0.00 31.60 32.41 2pru h MET 79 CO 0.05 1.01 -1.02 -0.39 -0.00 0.00 0.00 176.91 176.56 2pru h VAL 80 N 0.05 1.36 0.00 -0.10 -1.51 -0.88 -3.13 116.25 112.04 2pru h VAL 80 Ca -0.24 -2.43 -0.08 0.00 -1.23 0.00 0.00 66.70 62.72 2pru h VAL 80 Cb 1.99 2.46 -0.01 0.00 -2.13 0.00 0.00 31.29 33.61 2pru h VAL 80 CO 0.14 0.73 -0.50 0.74 -1.23 0.00 0.00 177.57 177.45 2pru h THR 81 N 0.27 0.94 0.00 7.19 2.02 -1.17 -3.01 112.91 119.15 2pru h THR 81 Ca -0.11 -1.87 0.00 0.00 0.77 0.00 0.00 66.41 65.20 2pru h THR 81 Cb 1.67 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 70.02 2pru h THR 81 CO 0.19 0.32 0.00 0.41 0.37 0.00 0.00 175.52 176.80 2pru n THR 82 N -4.58 0.00 -3.62 3.16 -1.04 -0.87 -4.62 114.28 102.71 2pru n THR 82 Ca -0.15 0.48 -0.27 0.00 -2.04 0.00 0.00 64.05 62.07 2pru n THR 82 Cb 0.44 -1.47 0.03 0.00 -1.82 0.00 0.00 70.33 67.51 2pru n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pru n ALA 83 N -2.21 -1.19 -0.01 2.41 0.00 0.66 -0.93 120.51 119.24 2pru n ALA 83 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2pru n ALA 83 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 19.45 15.17 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 -2.54 3.82 0.00 0.00 5.04 -0.11 -3.33 115.29 118.18 2pru s HIS 85 Ca 0.00 1.52 0.00 0.00 -1.54 0.00 0.00 55.06 55.04 2pru s HIS 85 Cb 0.00 -2.69 0.00 0.00 0.04 0.00 0.00 32.58 29.93 2pru s HIS 85 CO 0.00 0.47 0.00 0.39 -2.34 0.00 0.00 174.74 173.26 2pru n GLU 86 N 1.36 0.00 0.00 2.88 -0.58 -1.26 -4.52 120.64 118.51 2pru n GLU 86 Ca -0.05 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.83 2pru n GLU 86 Cb 0.50 -0.89 0.69 0.00 -0.57 0.00 0.00 31.44 31.17 2pru n GLU 86 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2pru n PHE 87 N -1.67 0.00 -0.03 -0.32 7.35 -1.21 -0.44 117.46 121.14 2pru n PHE 87 Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 2pru n PHE 87 Cb 0.00 -0.34 -0.04 0.00 0.35 0.00 0.00 39.48 39.45 2pru n PHE 87 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2pru n PHE 88 N -1.33 0.00 0.02 -5.13 3.72 -1.26 -3.63 117.46 109.85 2pru n PHE 88 Ca 0.12 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.50 2pru n PHE 88 Cb 0.28 -0.27 -0.01 0.00 -0.94 0.00 0.00 39.48 38.54 2pru n PHE 88 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2pru h GLU 89 N 0.00 -0.14 0.15 -1.08 4.81 -1.91 -3.37 114.58 113.04 2pru h GLU 89 Ca -0.15 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2pru h GLU 89 Cb 1.31 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.72 2pru h GLU 89 CO -0.00 -0.09 -0.07 1.25 -0.73 0.00 0.00 179.01 179.36 2pru h HIS 90 N -0.94 -0.19 0.00 0.92 2.76 -1.56 -3.51 115.15 112.64 2pru h HIS 90 Ca -0.02 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2pru h HIS 90 Cb 0.11 0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.13 2pru h HIS 90 CO 0.00 0.25 0.00 -1.91 -1.30 0.00 0.00 177.93 174.97